USER MOD reduce.3.24.130724 H: found=0, std=0, add=1052, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1053 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 115 GLN : amide:sc= -2.55 K(o=-2.6,f=-5.4!) USER MOD Set 1.2: A 117 TYR OH : rot 180:sc= -0.0281 USER MOD Set 2.1: A 98 ASN :FLIP amide:sc= -1.34 F(o=-4.5!,f=-3) USER MOD Set 2.2: A 100 ASN :FLIP amide:sc= -1.63! X(o=-3,f=-3!) USER MOD Set 3.1: A 92 LYS NZ :NH3+ -131:sc= -2.12 (180deg=-4.58!) USER MOD Set 3.2: A 94 LYS NZ :NH3+ -170:sc= -0.0967 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ 154:sc= -6.18! (180deg=-8.37!) USER MOD Single : A 4 SER OG : rot 180:sc= 0.00392 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 173:sc= -0.713 (180deg=-1.09!) USER MOD Single : A 11 SER OG : rot 72:sc= 0.359 USER MOD Single : A 13 ASN : amide:sc= 0.703 K(o=0.7,f=-1.6!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -162:sc= -0.0428 (180deg=-0.413) USER MOD Single : A 18 MET CE :methyl -135:sc= -0.191 (180deg=-1.91!) USER MOD Single : A 20 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.0177) USER MOD Single : A 21 MET CE :methyl 135:sc= -0.755 (180deg=-1.73!) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -0.22 K(o=-0.22,f=-0.82) USER MOD Single : A 35 ASN :FLIP amide:sc= -0.705 F(o=-3.1!,f=-0.71) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 174:sc= -0.63 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -2.02 K(o=-2,f=-3.5!) USER MOD Single : A 45 ASN :FLIP amide:sc= -1.65 F(o=-4.9!,f=-1.6) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.146 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot -40:sc= -0.224! USER MOD Single : A 53 SER OG : rot 180:sc= -0.811 USER MOD Single : A 57 ASN : amide:sc= -1.7 K(o=-1.7,f=-5.8!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0709 USER MOD Single : A 69 ASN :FLIP amide:sc= -0.903 F(o=-5.5!,f=-0.9) USER MOD Single : A 71 ASN :FLIP amide:sc= -2.47 F(o=-7.9!,f=-2.5) USER MOD Single : A 76 THR OG1 : rot 129:sc= 0.618 USER MOD Single : A 81 THR OG1 : rot -87:sc= -1.21! USER MOD Single : A 83 SER OG : rot 180:sc= -0.0536 USER MOD Single : A 87 ASN : amide:sc= -1.62 K(o=-1.6,f=-6.4!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 32:sc= -1.05 USER MOD Single : A 103 ASN : amide:sc= -0.0371 X(o=-0.037,f=-0.27) USER MOD Single : A 104 THR OG1 : rot 71:sc= -0.224 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 TYR OH : rot -25:sc= -3.34 USER MOD Single : A 125 LYS NZ :NH3+ -167:sc= -0.0115 (180deg=-0.27) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 116.226 5.380 -7.379 1.00 0.00 N ATOM 2 CA ALA A 1 115.467 4.617 -8.409 1.00 0.00 C ATOM 3 C ALA A 1 115.528 5.361 -9.742 1.00 0.00 C ATOM 4 O ALA A 1 116.294 6.290 -9.910 1.00 0.00 O ATOM 5 CB ALA A 1 114.009 4.483 -7.972 1.00 0.00 C ATOM 0 H1 ALA A 1 115.850 5.158 -6.435 1.00 0.00 H new ATOM 0 H2 ALA A 1 117.231 5.116 -7.422 1.00 0.00 H new ATOM 0 H3 ALA A 1 116.128 6.399 -7.560 1.00 0.00 H new ATOM 0 HA ALA A 1 115.907 3.626 -8.523 1.00 0.00 H new ATOM 0 HB1 ALA A 1 113.453 3.925 -8.725 1.00 0.00 H new ATOM 0 HB2 ALA A 1 113.962 3.954 -7.020 1.00 0.00 H new ATOM 0 HB3 ALA A 1 113.571 5.474 -7.858 1.00 0.00 H new ATOM 13 N PHE A 2 114.724 4.967 -10.690 1.00 0.00 N ATOM 14 CA PHE A 2 114.738 5.660 -12.006 1.00 0.00 C ATOM 15 C PHE A 2 114.102 7.030 -11.844 1.00 0.00 C ATOM 16 O PHE A 2 113.616 7.611 -12.794 1.00 0.00 O ATOM 17 CB PHE A 2 113.923 4.866 -13.033 1.00 0.00 C ATOM 18 CG PHE A 2 114.487 3.472 -13.204 1.00 0.00 C ATOM 19 CD1 PHE A 2 113.615 2.379 -13.264 1.00 0.00 C ATOM 20 CD2 PHE A 2 115.871 3.267 -13.307 1.00 0.00 C ATOM 21 CE1 PHE A 2 114.121 1.085 -13.422 1.00 0.00 C ATOM 22 CE2 PHE A 2 116.376 1.971 -13.466 1.00 0.00 C ATOM 23 CZ PHE A 2 115.500 0.880 -13.523 1.00 0.00 C ATOM 0 H PHE A 2 114.060 4.197 -10.610 1.00 0.00 H new ATOM 0 HA PHE A 2 115.768 5.748 -12.351 1.00 0.00 H new ATOM 0 HB2 PHE A 2 112.883 4.806 -12.711 1.00 0.00 H new ATOM 0 HB3 PHE A 2 113.930 5.386 -13.991 1.00 0.00 H new ATOM 0 HD1 PHE A 2 112.549 2.535 -13.188 1.00 0.00 H new ATOM 0 HD2 PHE A 2 116.547 4.109 -13.264 1.00 0.00 H new ATOM 0 HE1 PHE A 2 113.446 0.243 -13.466 1.00 0.00 H new ATOM 0 HE2 PHE A 2 117.441 1.813 -13.545 1.00 0.00 H new ATOM 0 HZ PHE A 2 115.890 -0.120 -13.645 1.00 0.00 H new ATOM 33 N ASP A 3 114.088 7.546 -10.649 1.00 0.00 N ATOM 34 CA ASP A 3 113.458 8.880 -10.431 1.00 0.00 C ATOM 35 C ASP A 3 112.289 9.006 -11.407 1.00 0.00 C ATOM 36 O ASP A 3 112.243 9.899 -12.230 1.00 0.00 O ATOM 37 CB ASP A 3 114.481 9.986 -10.702 1.00 0.00 C ATOM 38 CG ASP A 3 113.882 11.341 -10.321 1.00 0.00 C ATOM 39 OD1 ASP A 3 112.742 11.584 -10.679 1.00 0.00 O ATOM 40 OD2 ASP A 3 114.575 12.112 -9.677 1.00 0.00 O ATOM 0 H ASP A 3 114.482 7.107 -9.817 1.00 0.00 H new ATOM 0 HA ASP A 3 113.110 8.976 -9.403 1.00 0.00 H new ATOM 0 HB2 ASP A 3 115.390 9.804 -10.128 1.00 0.00 H new ATOM 0 HB3 ASP A 3 114.763 9.985 -11.755 1.00 0.00 H new ATOM 45 N SER A 4 111.362 8.089 -11.340 1.00 0.00 N ATOM 46 CA SER A 4 110.210 8.114 -12.284 1.00 0.00 C ATOM 47 C SER A 4 109.242 6.978 -11.958 1.00 0.00 C ATOM 48 O SER A 4 108.944 6.708 -10.813 1.00 0.00 O ATOM 49 CB SER A 4 110.724 7.941 -13.715 1.00 0.00 C ATOM 50 OG SER A 4 109.833 8.586 -14.614 1.00 0.00 O ATOM 0 H SER A 4 111.354 7.321 -10.669 1.00 0.00 H new ATOM 0 HA SER A 4 109.691 9.068 -12.188 1.00 0.00 H new ATOM 0 HB2 SER A 4 111.724 8.365 -13.809 1.00 0.00 H new ATOM 0 HB3 SER A 4 110.803 6.882 -13.960 1.00 0.00 H new ATOM 0 HG SER A 4 110.160 8.479 -15.532 1.00 0.00 H new ATOM 56 N THR A 5 108.736 6.330 -12.968 1.00 0.00 N ATOM 57 CA THR A 5 107.757 5.223 -12.747 1.00 0.00 C ATOM 58 C THR A 5 108.465 3.870 -12.586 1.00 0.00 C ATOM 59 O THR A 5 109.502 3.615 -13.164 1.00 0.00 O ATOM 60 CB THR A 5 106.803 5.153 -13.942 1.00 0.00 C ATOM 61 OG1 THR A 5 106.243 6.438 -14.173 1.00 0.00 O ATOM 62 CG2 THR A 5 105.684 4.152 -13.649 1.00 0.00 C ATOM 0 H THR A 5 108.958 6.519 -13.945 1.00 0.00 H new ATOM 0 HA THR A 5 107.207 5.430 -11.829 1.00 0.00 H new ATOM 0 HB THR A 5 107.352 4.830 -14.826 1.00 0.00 H new ATOM 0 HG1 THR A 5 105.633 6.396 -14.939 1.00 0.00 H new ATOM 0 HG21 THR A 5 105.006 4.104 -14.501 1.00 0.00 H new ATOM 0 HG22 THR A 5 106.115 3.166 -13.472 1.00 0.00 H new ATOM 0 HG23 THR A 5 105.133 4.471 -12.765 1.00 0.00 H new ATOM 70 N TRP A 6 107.880 3.003 -11.800 1.00 0.00 N ATOM 71 CA TRP A 6 108.451 1.643 -11.565 1.00 0.00 C ATOM 72 C TRP A 6 107.274 0.667 -11.419 1.00 0.00 C ATOM 73 O TRP A 6 106.138 1.086 -11.299 1.00 0.00 O ATOM 74 CB TRP A 6 109.265 1.637 -10.272 1.00 0.00 C ATOM 75 CG TRP A 6 110.643 2.183 -10.502 1.00 0.00 C ATOM 76 CD1 TRP A 6 110.937 3.466 -10.817 1.00 0.00 C ATOM 77 CD2 TRP A 6 111.919 1.484 -10.424 1.00 0.00 C ATOM 78 NE1 TRP A 6 112.310 3.601 -10.904 1.00 0.00 N ATOM 79 CE2 TRP A 6 112.958 2.405 -10.679 1.00 0.00 C ATOM 80 CE3 TRP A 6 112.270 0.153 -10.153 1.00 0.00 C ATOM 81 CZ2 TRP A 6 114.301 2.019 -10.662 1.00 0.00 C ATOM 82 CZ3 TRP A 6 113.617 -0.239 -10.139 1.00 0.00 C ATOM 83 CH2 TRP A 6 114.631 0.692 -10.390 1.00 0.00 C ATOM 0 H TRP A 6 107.010 3.186 -11.300 1.00 0.00 H new ATOM 0 HA TRP A 6 109.101 1.357 -12.392 1.00 0.00 H new ATOM 0 HB2 TRP A 6 108.756 2.233 -9.515 1.00 0.00 H new ATOM 0 HB3 TRP A 6 109.333 0.620 -9.885 1.00 0.00 H new ATOM 0 HD1 TRP A 6 110.217 4.255 -10.975 1.00 0.00 H new ATOM 0 HE1 TRP A 6 112.786 4.479 -11.110 1.00 0.00 H new ATOM 0 HE3 TRP A 6 111.498 -0.575 -9.954 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 115.078 2.743 -10.858 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 113.873 -1.268 -9.933 1.00 0.00 H new ATOM 0 HH2 TRP A 6 115.666 0.384 -10.373 1.00 0.00 H new ATOM 94 N LYS A 7 107.510 -0.621 -11.429 1.00 0.00 N ATOM 95 CA LYS A 7 106.364 -1.569 -11.294 1.00 0.00 C ATOM 96 C LYS A 7 106.819 -2.887 -10.663 1.00 0.00 C ATOM 97 O LYS A 7 107.731 -3.533 -11.138 1.00 0.00 O ATOM 98 CB LYS A 7 105.776 -1.846 -12.681 1.00 0.00 C ATOM 99 CG LYS A 7 106.642 -2.873 -13.414 1.00 0.00 C ATOM 100 CD LYS A 7 106.299 -2.860 -14.906 1.00 0.00 C ATOM 101 CE LYS A 7 107.295 -3.737 -15.667 1.00 0.00 C ATOM 102 NZ LYS A 7 107.857 -4.765 -14.746 1.00 0.00 N ATOM 0 H LYS A 7 108.430 -1.051 -11.523 1.00 0.00 H new ATOM 0 HA LYS A 7 105.611 -1.118 -10.648 1.00 0.00 H new ATOM 0 HB2 LYS A 7 104.756 -2.218 -12.586 1.00 0.00 H new ATOM 0 HB3 LYS A 7 105.726 -0.922 -13.256 1.00 0.00 H new ATOM 0 HG2 LYS A 7 107.698 -2.642 -13.271 1.00 0.00 H new ATOM 0 HG3 LYS A 7 106.474 -3.867 -13.000 1.00 0.00 H new ATOM 0 HD2 LYS A 7 105.284 -3.227 -15.060 1.00 0.00 H new ATOM 0 HD3 LYS A 7 106.331 -1.840 -15.288 1.00 0.00 H new ATOM 0 HE2 LYS A 7 106.801 -4.220 -16.510 1.00 0.00 H new ATOM 0 HE3 LYS A 7 108.097 -3.123 -16.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 108.442 -5.433 -15.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 108.442 -4.300 -14.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 107.080 -5.280 -14.285 1.00 0.00 H new ATOM 116 N VAL A 8 106.181 -3.295 -9.596 1.00 0.00 N ATOM 117 CA VAL A 8 106.567 -4.574 -8.943 1.00 0.00 C ATOM 118 C VAL A 8 106.786 -5.649 -10.003 1.00 0.00 C ATOM 119 O VAL A 8 105.854 -6.164 -10.587 1.00 0.00 O ATOM 120 CB VAL A 8 105.467 -5.010 -7.969 1.00 0.00 C ATOM 121 CG1 VAL A 8 104.113 -4.521 -8.474 1.00 0.00 C ATOM 122 CG2 VAL A 8 105.447 -6.537 -7.853 1.00 0.00 C ATOM 0 H VAL A 8 105.411 -2.796 -9.152 1.00 0.00 H new ATOM 0 HA VAL A 8 107.494 -4.430 -8.389 1.00 0.00 H new ATOM 0 HB VAL A 8 105.668 -4.578 -6.988 1.00 0.00 H new ATOM 0 HG11 VAL A 8 103.332 -4.832 -7.780 1.00 0.00 H new ATOM 0 HG12 VAL A 8 104.123 -3.433 -8.546 1.00 0.00 H new ATOM 0 HG13 VAL A 8 103.916 -4.948 -9.457 1.00 0.00 H new ATOM 0 HG21 VAL A 8 104.663 -6.839 -7.159 1.00 0.00 H new ATOM 0 HG22 VAL A 8 105.253 -6.974 -8.833 1.00 0.00 H new ATOM 0 HG23 VAL A 8 106.412 -6.887 -7.485 1.00 0.00 H new ATOM 132 N ASP A 9 108.016 -6.004 -10.238 1.00 0.00 N ATOM 133 CA ASP A 9 108.306 -7.062 -11.237 1.00 0.00 C ATOM 134 C ASP A 9 108.341 -8.398 -10.505 1.00 0.00 C ATOM 135 O ASP A 9 108.003 -9.431 -11.049 1.00 0.00 O ATOM 136 CB ASP A 9 109.662 -6.796 -11.895 1.00 0.00 C ATOM 137 CG ASP A 9 110.040 -7.984 -12.782 1.00 0.00 C ATOM 138 OD1 ASP A 9 111.192 -8.063 -13.174 1.00 0.00 O ATOM 139 OD2 ASP A 9 109.169 -8.795 -13.054 1.00 0.00 O ATOM 0 H ASP A 9 108.835 -5.605 -9.779 1.00 0.00 H new ATOM 0 HA ASP A 9 107.541 -7.073 -12.013 1.00 0.00 H new ATOM 0 HB2 ASP A 9 109.617 -5.884 -12.490 1.00 0.00 H new ATOM 0 HB3 ASP A 9 110.425 -6.641 -11.132 1.00 0.00 H new ATOM 144 N ARG A 10 108.739 -8.378 -9.260 1.00 0.00 N ATOM 145 CA ARG A 10 108.785 -9.646 -8.474 1.00 0.00 C ATOM 146 C ARG A 10 108.570 -9.340 -6.988 1.00 0.00 C ATOM 147 O ARG A 10 108.477 -8.197 -6.588 1.00 0.00 O ATOM 148 CB ARG A 10 110.140 -10.338 -8.665 1.00 0.00 C ATOM 149 CG ARG A 10 110.468 -10.438 -10.157 1.00 0.00 C ATOM 150 CD ARG A 10 111.777 -11.211 -10.350 1.00 0.00 C ATOM 151 NE ARG A 10 112.045 -12.054 -9.150 1.00 0.00 N ATOM 152 CZ ARG A 10 111.534 -13.253 -9.067 1.00 0.00 C ATOM 153 NH1 ARG A 10 111.774 -13.991 -8.017 1.00 0.00 N ATOM 154 NH2 ARG A 10 110.784 -13.713 -10.031 1.00 0.00 N ATOM 0 H ARG A 10 109.033 -7.542 -8.755 1.00 0.00 H new ATOM 0 HA ARG A 10 107.995 -10.309 -8.827 1.00 0.00 H new ATOM 0 HB2 ARG A 10 110.920 -9.778 -8.149 1.00 0.00 H new ATOM 0 HB3 ARG A 10 110.116 -11.333 -8.222 1.00 0.00 H new ATOM 0 HG2 ARG A 10 109.657 -10.941 -10.684 1.00 0.00 H new ATOM 0 HG3 ARG A 10 110.557 -9.440 -10.587 1.00 0.00 H new ATOM 0 HD2 ARG A 10 111.713 -11.838 -11.239 1.00 0.00 H new ATOM 0 HD3 ARG A 10 112.601 -10.516 -10.509 1.00 0.00 H new ATOM 0 HE ARG A 10 112.627 -11.694 -8.394 1.00 0.00 H new ATOM 0 HH11 ARG A 10 112.360 -13.631 -7.264 1.00 0.00 H new ATOM 0 HH12 ARG A 10 111.376 -14.928 -7.950 1.00 0.00 H new ATOM 0 HH21 ARG A 10 110.596 -13.136 -10.851 1.00 0.00 H new ATOM 0 HH22 ARG A 10 110.386 -14.650 -9.965 1.00 0.00 H new ATOM 168 N SER A 11 108.488 -10.355 -6.169 1.00 0.00 N ATOM 169 CA SER A 11 108.275 -10.130 -4.707 1.00 0.00 C ATOM 170 C SER A 11 108.434 -11.459 -3.964 1.00 0.00 C ATOM 171 O SER A 11 108.663 -12.489 -4.567 1.00 0.00 O ATOM 172 CB SER A 11 106.867 -9.581 -4.475 1.00 0.00 C ATOM 173 OG SER A 11 106.550 -9.671 -3.093 1.00 0.00 O ATOM 0 H SER A 11 108.559 -11.333 -6.449 1.00 0.00 H new ATOM 0 HA SER A 11 109.008 -9.413 -4.336 1.00 0.00 H new ATOM 0 HB2 SER A 11 106.809 -8.544 -4.806 1.00 0.00 H new ATOM 0 HB3 SER A 11 106.143 -10.144 -5.063 1.00 0.00 H new ATOM 0 HG SER A 11 107.069 -9.006 -2.594 1.00 0.00 H new ATOM 179 N GLU A 12 108.319 -11.452 -2.660 1.00 0.00 N ATOM 180 CA GLU A 12 108.469 -12.726 -1.904 1.00 0.00 C ATOM 181 C GLU A 12 107.669 -12.648 -0.599 1.00 0.00 C ATOM 182 O GLU A 12 107.418 -11.581 -0.072 1.00 0.00 O ATOM 183 CB GLU A 12 109.960 -12.968 -1.608 1.00 0.00 C ATOM 184 CG GLU A 12 110.201 -13.089 -0.099 1.00 0.00 C ATOM 185 CD GLU A 12 111.684 -13.358 0.160 1.00 0.00 C ATOM 186 OE1 GLU A 12 112.498 -12.874 -0.609 1.00 0.00 O ATOM 187 OE2 GLU A 12 111.981 -14.046 1.124 1.00 0.00 O ATOM 0 H GLU A 12 108.129 -10.626 -2.093 1.00 0.00 H new ATOM 0 HA GLU A 12 108.086 -13.556 -2.498 1.00 0.00 H new ATOM 0 HB2 GLU A 12 110.292 -13.878 -2.108 1.00 0.00 H new ATOM 0 HB3 GLU A 12 110.554 -12.148 -2.011 1.00 0.00 H new ATOM 0 HG2 GLU A 12 109.893 -12.172 0.404 1.00 0.00 H new ATOM 0 HG3 GLU A 12 109.596 -13.897 0.313 1.00 0.00 H new ATOM 194 N ASN A 13 107.269 -13.780 -0.078 1.00 0.00 N ATOM 195 CA ASN A 13 106.487 -13.794 1.192 1.00 0.00 C ATOM 196 C ASN A 13 105.216 -12.958 1.028 1.00 0.00 C ATOM 197 O ASN A 13 104.297 -13.336 0.329 1.00 0.00 O ATOM 198 CB ASN A 13 107.339 -13.216 2.325 1.00 0.00 C ATOM 199 CG ASN A 13 108.247 -14.310 2.889 1.00 0.00 C ATOM 200 OD1 ASN A 13 108.356 -15.378 2.320 1.00 0.00 O ATOM 201 ND2 ASN A 13 108.909 -14.088 3.992 1.00 0.00 N ATOM 0 H ASN A 13 107.452 -14.699 -0.481 1.00 0.00 H new ATOM 0 HA ASN A 13 106.212 -14.821 1.432 1.00 0.00 H new ATOM 0 HB2 ASN A 13 107.940 -12.385 1.955 1.00 0.00 H new ATOM 0 HB3 ASN A 13 106.697 -12.820 3.112 1.00 0.00 H new ATOM 0 HD21 ASN A 13 109.518 -14.811 4.376 1.00 0.00 H new ATOM 0 HD22 ASN A 13 108.818 -13.192 4.470 1.00 0.00 H new ATOM 208 N TYR A 14 105.156 -11.824 1.670 1.00 0.00 N ATOM 209 CA TYR A 14 103.946 -10.963 1.556 1.00 0.00 C ATOM 210 C TYR A 14 102.802 -11.575 2.360 1.00 0.00 C ATOM 211 O TYR A 14 102.202 -10.923 3.192 1.00 0.00 O ATOM 212 CB TYR A 14 103.541 -10.835 0.083 1.00 0.00 C ATOM 213 CG TYR A 14 103.114 -9.415 -0.215 1.00 0.00 C ATOM 214 CD1 TYR A 14 103.881 -8.337 0.246 1.00 0.00 C ATOM 215 CD2 TYR A 14 101.951 -9.179 -0.958 1.00 0.00 C ATOM 216 CE1 TYR A 14 103.483 -7.024 -0.035 1.00 0.00 C ATOM 217 CE2 TYR A 14 101.554 -7.866 -1.238 1.00 0.00 C ATOM 218 CZ TYR A 14 102.319 -6.789 -0.776 1.00 0.00 C ATOM 219 OH TYR A 14 101.927 -5.495 -1.054 1.00 0.00 O ATOM 0 H TYR A 14 105.894 -11.456 2.270 1.00 0.00 H new ATOM 0 HA TYR A 14 104.169 -9.972 1.952 1.00 0.00 H new ATOM 0 HB2 TYR A 14 104.377 -11.114 -0.558 1.00 0.00 H new ATOM 0 HB3 TYR A 14 102.725 -11.523 -0.139 1.00 0.00 H new ATOM 0 HD1 TYR A 14 104.779 -8.519 0.818 1.00 0.00 H new ATOM 0 HD2 TYR A 14 101.360 -10.010 -1.315 1.00 0.00 H new ATOM 0 HE1 TYR A 14 104.074 -6.193 0.320 1.00 0.00 H new ATOM 0 HE2 TYR A 14 100.657 -7.684 -1.811 1.00 0.00 H new ATOM 0 HH TYR A 14 101.099 -5.509 -1.578 1.00 0.00 H new ATOM 229 N ASP A 15 102.492 -12.818 2.133 1.00 0.00 N ATOM 230 CA ASP A 15 101.386 -13.442 2.905 1.00 0.00 C ATOM 231 C ASP A 15 101.734 -13.382 4.388 1.00 0.00 C ATOM 232 O ASP A 15 100.923 -13.005 5.211 1.00 0.00 O ATOM 233 CB ASP A 15 101.203 -14.897 2.470 1.00 0.00 C ATOM 234 CG ASP A 15 102.545 -15.628 2.551 1.00 0.00 C ATOM 235 OD1 ASP A 15 102.583 -16.691 3.149 1.00 0.00 O ATOM 236 OD2 ASP A 15 103.511 -15.113 2.013 1.00 0.00 O ATOM 0 H ASP A 15 102.951 -13.424 1.453 1.00 0.00 H new ATOM 0 HA ASP A 15 100.455 -12.905 2.721 1.00 0.00 H new ATOM 0 HB2 ASP A 15 100.470 -15.389 3.109 1.00 0.00 H new ATOM 0 HB3 ASP A 15 100.816 -14.937 1.452 1.00 0.00 H new ATOM 241 N LYS A 16 102.938 -13.730 4.735 1.00 0.00 N ATOM 242 CA LYS A 16 103.337 -13.665 6.163 1.00 0.00 C ATOM 243 C LYS A 16 103.243 -12.211 6.615 1.00 0.00 C ATOM 244 O LYS A 16 102.884 -11.917 7.738 1.00 0.00 O ATOM 245 CB LYS A 16 104.774 -14.167 6.325 1.00 0.00 C ATOM 246 CG LYS A 16 104.914 -15.538 5.661 1.00 0.00 C ATOM 247 CD LYS A 16 106.135 -16.262 6.234 1.00 0.00 C ATOM 248 CE LYS A 16 106.283 -17.628 5.559 1.00 0.00 C ATOM 249 NZ LYS A 16 105.125 -18.491 5.927 1.00 0.00 N ATOM 0 H LYS A 16 103.661 -14.056 4.093 1.00 0.00 H new ATOM 0 HA LYS A 16 102.681 -14.292 6.767 1.00 0.00 H new ATOM 0 HB2 LYS A 16 105.470 -13.460 5.874 1.00 0.00 H new ATOM 0 HB3 LYS A 16 105.029 -14.236 7.382 1.00 0.00 H new ATOM 0 HG2 LYS A 16 104.014 -16.130 5.831 1.00 0.00 H new ATOM 0 HG3 LYS A 16 105.020 -15.422 4.582 1.00 0.00 H new ATOM 0 HD2 LYS A 16 107.033 -15.666 6.073 1.00 0.00 H new ATOM 0 HD3 LYS A 16 106.024 -16.387 7.311 1.00 0.00 H new ATOM 0 HE2 LYS A 16 106.331 -17.508 4.477 1.00 0.00 H new ATOM 0 HE3 LYS A 16 107.215 -18.100 5.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 105.359 -19.486 5.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 104.912 -18.373 6.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 104.295 -18.217 5.364 1.00 0.00 H new ATOM 263 N PHE A 17 103.545 -11.299 5.734 1.00 0.00 N ATOM 264 CA PHE A 17 103.459 -9.861 6.086 1.00 0.00 C ATOM 265 C PHE A 17 101.993 -9.485 6.245 1.00 0.00 C ATOM 266 O PHE A 17 101.535 -9.124 7.311 1.00 0.00 O ATOM 267 CB PHE A 17 104.065 -9.054 4.947 1.00 0.00 C ATOM 268 CG PHE A 17 104.154 -7.602 5.333 1.00 0.00 C ATOM 269 CD1 PHE A 17 105.148 -7.188 6.215 1.00 0.00 C ATOM 270 CD2 PHE A 17 103.254 -6.671 4.800 1.00 0.00 C ATOM 271 CE1 PHE A 17 105.251 -5.841 6.575 1.00 0.00 C ATOM 272 CE2 PHE A 17 103.352 -5.322 5.160 1.00 0.00 C ATOM 273 CZ PHE A 17 104.352 -4.905 6.047 1.00 0.00 C ATOM 0 H PHE A 17 103.849 -11.493 4.780 1.00 0.00 H new ATOM 0 HA PHE A 17 103.993 -9.658 7.014 1.00 0.00 H new ATOM 0 HB2 PHE A 17 105.057 -9.436 4.708 1.00 0.00 H new ATOM 0 HB3 PHE A 17 103.456 -9.163 4.049 1.00 0.00 H new ATOM 0 HD1 PHE A 17 105.841 -7.909 6.622 1.00 0.00 H new ATOM 0 HD2 PHE A 17 102.486 -6.993 4.113 1.00 0.00 H new ATOM 0 HE1 PHE A 17 106.023 -5.522 7.260 1.00 0.00 H new ATOM 0 HE2 PHE A 17 102.656 -4.603 4.754 1.00 0.00 H new ATOM 0 HZ PHE A 17 104.430 -3.864 6.324 1.00 0.00 H new ATOM 283 N MET A 18 101.258 -9.582 5.181 1.00 0.00 N ATOM 284 CA MET A 18 99.810 -9.245 5.241 1.00 0.00 C ATOM 285 C MET A 18 99.138 -10.088 6.325 1.00 0.00 C ATOM 286 O MET A 18 98.119 -9.717 6.872 1.00 0.00 O ATOM 287 CB MET A 18 99.159 -9.539 3.886 1.00 0.00 C ATOM 288 CG MET A 18 99.894 -8.773 2.780 1.00 0.00 C ATOM 289 SD MET A 18 98.843 -7.431 2.171 1.00 0.00 S ATOM 290 CE MET A 18 99.700 -6.073 3.008 1.00 0.00 C ATOM 0 H MET A 18 101.596 -9.881 4.266 1.00 0.00 H new ATOM 0 HA MET A 18 99.692 -8.187 5.476 1.00 0.00 H new ATOM 0 HB2 MET A 18 99.190 -10.609 3.682 1.00 0.00 H new ATOM 0 HB3 MET A 18 98.109 -9.248 3.906 1.00 0.00 H new ATOM 0 HG2 MET A 18 100.831 -8.369 3.164 1.00 0.00 H new ATOM 0 HG3 MET A 18 100.149 -9.448 1.963 1.00 0.00 H new ATOM 0 HE1 MET A 18 98.968 -5.406 3.463 1.00 0.00 H new ATOM 0 HE2 MET A 18 100.353 -6.477 3.782 1.00 0.00 H new ATOM 0 HE3 MET A 18 100.296 -5.517 2.284 1.00 0.00 H new ATOM 300 N GLU A 19 99.700 -11.223 6.645 1.00 0.00 N ATOM 301 CA GLU A 19 99.089 -12.080 7.696 1.00 0.00 C ATOM 302 C GLU A 19 99.525 -11.582 9.073 1.00 0.00 C ATOM 303 O GLU A 19 98.868 -11.822 10.067 1.00 0.00 O ATOM 304 CB GLU A 19 99.546 -13.529 7.506 1.00 0.00 C ATOM 305 CG GLU A 19 99.008 -14.389 8.651 1.00 0.00 C ATOM 306 CD GLU A 19 99.163 -15.868 8.295 1.00 0.00 C ATOM 307 OE1 GLU A 19 98.167 -16.484 7.955 1.00 0.00 O ATOM 308 OE2 GLU A 19 100.278 -16.361 8.369 1.00 0.00 O ATOM 0 H GLU A 19 100.553 -11.591 6.224 1.00 0.00 H new ATOM 0 HA GLU A 19 98.003 -12.032 7.619 1.00 0.00 H new ATOM 0 HB2 GLU A 19 99.188 -13.912 6.550 1.00 0.00 H new ATOM 0 HB3 GLU A 19 100.635 -13.578 7.481 1.00 0.00 H new ATOM 0 HG2 GLU A 19 99.548 -14.167 9.571 1.00 0.00 H new ATOM 0 HG3 GLU A 19 97.959 -14.156 8.833 1.00 0.00 H new ATOM 315 N LYS A 20 100.627 -10.888 9.143 1.00 0.00 N ATOM 316 CA LYS A 20 101.096 -10.377 10.458 1.00 0.00 C ATOM 317 C LYS A 20 100.270 -9.150 10.846 1.00 0.00 C ATOM 318 O LYS A 20 99.943 -8.952 11.999 1.00 0.00 O ATOM 319 CB LYS A 20 102.581 -10.004 10.368 1.00 0.00 C ATOM 320 CG LYS A 20 103.337 -10.613 11.552 1.00 0.00 C ATOM 321 CD LYS A 20 103.555 -12.108 11.306 1.00 0.00 C ATOM 322 CE LYS A 20 103.728 -12.827 12.645 1.00 0.00 C ATOM 323 NZ LYS A 20 102.389 -13.071 13.255 1.00 0.00 N ATOM 0 H LYS A 20 101.221 -10.654 8.347 1.00 0.00 H new ATOM 0 HA LYS A 20 100.972 -11.150 11.217 1.00 0.00 H new ATOM 0 HB2 LYS A 20 103.001 -10.367 9.430 1.00 0.00 H new ATOM 0 HB3 LYS A 20 102.695 -8.920 10.370 1.00 0.00 H new ATOM 0 HG2 LYS A 20 104.296 -10.111 11.681 1.00 0.00 H new ATOM 0 HG3 LYS A 20 102.773 -10.464 12.473 1.00 0.00 H new ATOM 0 HD2 LYS A 20 102.706 -12.526 10.764 1.00 0.00 H new ATOM 0 HD3 LYS A 20 104.437 -12.260 10.683 1.00 0.00 H new ATOM 0 HE2 LYS A 20 104.250 -13.772 12.497 1.00 0.00 H new ATOM 0 HE3 LYS A 20 104.341 -12.226 13.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 102.480 -13.103 14.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 101.741 -12.303 12.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 102.011 -13.978 12.913 1.00 0.00 H new ATOM 337 N MET A 21 99.920 -8.330 9.896 1.00 0.00 N ATOM 338 CA MET A 21 99.103 -7.130 10.226 1.00 0.00 C ATOM 339 C MET A 21 97.715 -7.593 10.671 1.00 0.00 C ATOM 340 O MET A 21 96.929 -6.825 11.188 1.00 0.00 O ATOM 341 CB MET A 21 98.975 -6.220 8.998 1.00 0.00 C ATOM 342 CG MET A 21 100.010 -6.616 7.943 1.00 0.00 C ATOM 343 SD MET A 21 99.862 -5.517 6.512 1.00 0.00 S ATOM 344 CE MET A 21 100.372 -3.999 7.351 1.00 0.00 C ATOM 0 H MET A 21 100.162 -8.437 8.911 1.00 0.00 H new ATOM 0 HA MET A 21 99.586 -6.567 11.025 1.00 0.00 H new ATOM 0 HB2 MET A 21 97.971 -6.297 8.581 1.00 0.00 H new ATOM 0 HB3 MET A 21 99.120 -5.180 9.289 1.00 0.00 H new ATOM 0 HG2 MET A 21 101.014 -6.553 8.362 1.00 0.00 H new ATOM 0 HG3 MET A 21 99.857 -7.651 7.638 1.00 0.00 H new ATOM 0 HE1 MET A 21 101.082 -3.458 6.725 1.00 0.00 H new ATOM 0 HE2 MET A 21 99.499 -3.373 7.533 1.00 0.00 H new ATOM 0 HE3 MET A 21 100.843 -4.249 8.301 1.00 0.00 H new ATOM 354 N GLY A 22 97.411 -8.849 10.474 1.00 0.00 N ATOM 355 CA GLY A 22 96.075 -9.366 10.888 1.00 0.00 C ATOM 356 C GLY A 22 95.032 -9.005 9.828 1.00 0.00 C ATOM 357 O GLY A 22 93.874 -8.798 10.129 1.00 0.00 O ATOM 0 H GLY A 22 98.029 -9.537 10.045 1.00 0.00 H new ATOM 0 HA2 GLY A 22 96.117 -10.447 11.018 1.00 0.00 H new ATOM 0 HA3 GLY A 22 95.792 -8.940 11.851 1.00 0.00 H new ATOM 361 N VAL A 23 95.433 -8.929 8.588 1.00 0.00 N ATOM 362 CA VAL A 23 94.464 -8.583 7.513 1.00 0.00 C ATOM 363 C VAL A 23 93.634 -9.819 7.156 1.00 0.00 C ATOM 364 O VAL A 23 94.152 -10.911 7.036 1.00 0.00 O ATOM 365 CB VAL A 23 95.226 -8.107 6.274 1.00 0.00 C ATOM 366 CG1 VAL A 23 94.255 -7.426 5.309 1.00 0.00 C ATOM 367 CG2 VAL A 23 96.310 -7.111 6.693 1.00 0.00 C ATOM 0 H VAL A 23 96.390 -9.092 8.274 1.00 0.00 H new ATOM 0 HA VAL A 23 93.803 -7.789 7.862 1.00 0.00 H new ATOM 0 HB VAL A 23 95.689 -8.962 5.781 1.00 0.00 H new ATOM 0 HG11 VAL A 23 94.797 -7.087 4.426 1.00 0.00 H new ATOM 0 HG12 VAL A 23 93.482 -8.134 5.010 1.00 0.00 H new ATOM 0 HG13 VAL A 23 93.792 -6.571 5.802 1.00 0.00 H new ATOM 0 HG21 VAL A 23 96.853 -6.772 5.811 1.00 0.00 H new ATOM 0 HG22 VAL A 23 95.847 -6.256 7.186 1.00 0.00 H new ATOM 0 HG23 VAL A 23 97.003 -7.595 7.381 1.00 0.00 H new ATOM 377 N ASN A 24 92.350 -9.655 6.985 1.00 0.00 N ATOM 378 CA ASN A 24 91.492 -10.823 6.634 1.00 0.00 C ATOM 379 C ASN A 24 92.207 -11.676 5.584 1.00 0.00 C ATOM 380 O ASN A 24 93.152 -11.241 4.957 1.00 0.00 O ATOM 381 CB ASN A 24 90.157 -10.324 6.070 1.00 0.00 C ATOM 382 CG ASN A 24 89.118 -10.261 7.191 1.00 0.00 C ATOM 383 OD1 ASN A 24 88.401 -11.214 7.426 1.00 0.00 O ATOM 384 ND2 ASN A 24 89.004 -9.170 7.898 1.00 0.00 N ATOM 0 H ASN A 24 91.859 -8.765 7.073 1.00 0.00 H new ATOM 0 HA ASN A 24 91.305 -11.423 7.525 1.00 0.00 H new ATOM 0 HB2 ASN A 24 90.285 -9.338 5.623 1.00 0.00 H new ATOM 0 HB3 ASN A 24 89.813 -10.990 5.279 1.00 0.00 H new ATOM 0 HD21 ASN A 24 88.314 -9.118 8.647 1.00 0.00 H new ATOM 0 HD22 ASN A 24 89.605 -8.370 7.702 1.00 0.00 H new ATOM 391 N ILE A 25 91.768 -12.889 5.388 1.00 0.00 N ATOM 392 CA ILE A 25 92.430 -13.763 4.380 1.00 0.00 C ATOM 393 C ILE A 25 91.897 -13.423 2.995 1.00 0.00 C ATOM 394 O ILE A 25 92.307 -13.973 1.992 1.00 0.00 O ATOM 395 CB ILE A 25 92.141 -15.230 4.714 1.00 0.00 C ATOM 396 CG1 ILE A 25 93.187 -15.749 5.711 1.00 0.00 C ATOM 397 CG2 ILE A 25 92.183 -16.077 3.441 1.00 0.00 C ATOM 398 CD1 ILE A 25 94.590 -15.673 5.097 1.00 0.00 C ATOM 0 H ILE A 25 90.981 -13.311 5.881 1.00 0.00 H new ATOM 0 HA ILE A 25 93.508 -13.601 4.396 1.00 0.00 H new ATOM 0 HB ILE A 25 91.148 -15.303 5.158 1.00 0.00 H new ATOM 0 HG12 ILE A 25 93.151 -15.159 6.627 1.00 0.00 H new ATOM 0 HG13 ILE A 25 92.958 -16.779 5.986 1.00 0.00 H new ATOM 0 HG21 ILE A 25 91.976 -17.118 3.690 1.00 0.00 H new ATOM 0 HG22 ILE A 25 91.432 -15.716 2.739 1.00 0.00 H new ATOM 0 HG23 ILE A 25 93.171 -16.002 2.986 1.00 0.00 H new ATOM 0 HD11 ILE A 25 95.322 -16.044 5.815 1.00 0.00 H new ATOM 0 HD12 ILE A 25 94.626 -16.283 4.194 1.00 0.00 H new ATOM 0 HD13 ILE A 25 94.821 -14.638 4.845 1.00 0.00 H new ATOM 410 N VAL A 26 90.992 -12.510 2.949 1.00 0.00 N ATOM 411 CA VAL A 26 90.404 -12.094 1.646 1.00 0.00 C ATOM 412 C VAL A 26 91.340 -11.098 0.965 1.00 0.00 C ATOM 413 O VAL A 26 91.831 -11.334 -0.122 1.00 0.00 O ATOM 414 CB VAL A 26 89.043 -11.439 1.883 1.00 0.00 C ATOM 415 CG1 VAL A 26 88.377 -11.141 0.539 1.00 0.00 C ATOM 416 CG2 VAL A 26 88.155 -12.387 2.692 1.00 0.00 C ATOM 0 H VAL A 26 90.622 -12.021 3.764 1.00 0.00 H new ATOM 0 HA VAL A 26 90.276 -12.969 1.008 1.00 0.00 H new ATOM 0 HB VAL A 26 89.180 -10.509 2.434 1.00 0.00 H new ATOM 0 HG11 VAL A 26 87.407 -10.674 0.709 1.00 0.00 H new ATOM 0 HG12 VAL A 26 89.008 -10.466 -0.038 1.00 0.00 H new ATOM 0 HG13 VAL A 26 88.240 -12.071 -0.013 1.00 0.00 H new ATOM 0 HG21 VAL A 26 87.184 -11.921 2.861 1.00 0.00 H new ATOM 0 HG22 VAL A 26 88.019 -13.318 2.141 1.00 0.00 H new ATOM 0 HG23 VAL A 26 88.628 -12.599 3.651 1.00 0.00 H new ATOM 426 N LYS A 27 91.599 -9.994 1.600 1.00 0.00 N ATOM 427 CA LYS A 27 92.515 -8.988 0.995 1.00 0.00 C ATOM 428 C LYS A 27 93.912 -9.597 0.890 1.00 0.00 C ATOM 429 O LYS A 27 94.692 -9.252 0.025 1.00 0.00 O ATOM 430 CB LYS A 27 92.561 -7.739 1.878 1.00 0.00 C ATOM 431 CG LYS A 27 91.312 -6.891 1.631 1.00 0.00 C ATOM 432 CD LYS A 27 91.027 -6.026 2.862 1.00 0.00 C ATOM 433 CE LYS A 27 90.612 -6.916 4.037 1.00 0.00 C ATOM 434 NZ LYS A 27 89.570 -6.218 4.843 1.00 0.00 N ATOM 0 H LYS A 27 91.217 -9.742 2.512 1.00 0.00 H new ATOM 0 HA LYS A 27 92.158 -8.708 0.004 1.00 0.00 H new ATOM 0 HB2 LYS A 27 92.617 -8.025 2.928 1.00 0.00 H new ATOM 0 HB3 LYS A 27 93.457 -7.158 1.658 1.00 0.00 H new ATOM 0 HG2 LYS A 27 91.457 -6.258 0.755 1.00 0.00 H new ATOM 0 HG3 LYS A 27 90.458 -7.535 1.421 1.00 0.00 H new ATOM 0 HD2 LYS A 27 91.914 -5.450 3.126 1.00 0.00 H new ATOM 0 HD3 LYS A 27 90.236 -5.310 2.639 1.00 0.00 H new ATOM 0 HE2 LYS A 27 90.226 -7.867 3.669 1.00 0.00 H new ATOM 0 HE3 LYS A 27 91.478 -7.143 4.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 89.287 -6.821 5.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 89.954 -5.322 5.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 88.741 -6.023 4.245 1.00 0.00 H new ATOM 448 N ARG A 28 94.229 -10.512 1.766 1.00 0.00 N ATOM 449 CA ARG A 28 95.569 -11.157 1.723 1.00 0.00 C ATOM 450 C ARG A 28 95.634 -12.090 0.510 1.00 0.00 C ATOM 451 O ARG A 28 96.619 -12.134 -0.199 1.00 0.00 O ATOM 452 CB ARG A 28 95.791 -11.942 3.029 1.00 0.00 C ATOM 453 CG ARG A 28 96.275 -13.370 2.735 1.00 0.00 C ATOM 454 CD ARG A 28 97.606 -13.326 1.978 1.00 0.00 C ATOM 455 NE ARG A 28 97.489 -14.121 0.722 1.00 0.00 N ATOM 456 CZ ARG A 28 97.448 -15.424 0.777 1.00 0.00 C ATOM 457 NH1 ARG A 28 97.344 -16.119 -0.322 1.00 0.00 N ATOM 458 NH2 ARG A 28 97.509 -16.031 1.930 1.00 0.00 N ATOM 0 H ARG A 28 93.614 -10.840 2.511 1.00 0.00 H new ATOM 0 HA ARG A 28 96.352 -10.405 1.630 1.00 0.00 H new ATOM 0 HB2 ARG A 28 96.524 -11.425 3.648 1.00 0.00 H new ATOM 0 HB3 ARG A 28 94.862 -11.979 3.598 1.00 0.00 H new ATOM 0 HG2 ARG A 28 96.396 -13.921 3.668 1.00 0.00 H new ATOM 0 HG3 ARG A 28 95.529 -13.902 2.145 1.00 0.00 H new ATOM 0 HD2 ARG A 28 97.870 -12.295 1.745 1.00 0.00 H new ATOM 0 HD3 ARG A 28 98.405 -13.727 2.602 1.00 0.00 H new ATOM 0 HE ARG A 28 97.441 -13.647 -0.180 1.00 0.00 H new ATOM 0 HH11 ARG A 28 97.295 -15.644 -1.223 1.00 0.00 H new ATOM 0 HH12 ARG A 28 97.312 -17.138 -0.280 1.00 0.00 H new ATOM 0 HH21 ARG A 28 97.589 -15.487 2.789 1.00 0.00 H new ATOM 0 HH22 ARG A 28 97.477 -17.050 1.972 1.00 0.00 H new ATOM 472 N LYS A 29 94.590 -12.835 0.263 1.00 0.00 N ATOM 473 CA LYS A 29 94.601 -13.756 -0.907 1.00 0.00 C ATOM 474 C LYS A 29 94.703 -12.937 -2.195 1.00 0.00 C ATOM 475 O LYS A 29 95.333 -13.342 -3.152 1.00 0.00 O ATOM 476 CB LYS A 29 93.310 -14.578 -0.925 1.00 0.00 C ATOM 477 CG LYS A 29 93.476 -15.770 -1.869 1.00 0.00 C ATOM 478 CD LYS A 29 92.200 -16.614 -1.860 1.00 0.00 C ATOM 479 CE LYS A 29 92.273 -17.642 -0.728 1.00 0.00 C ATOM 480 NZ LYS A 29 90.906 -18.162 -0.440 1.00 0.00 N ATOM 0 H LYS A 29 93.735 -12.845 0.819 1.00 0.00 H new ATOM 0 HA LYS A 29 95.456 -14.428 -0.833 1.00 0.00 H new ATOM 0 HB2 LYS A 29 93.075 -14.927 0.080 1.00 0.00 H new ATOM 0 HB3 LYS A 29 92.475 -13.957 -1.250 1.00 0.00 H new ATOM 0 HG2 LYS A 29 93.685 -15.420 -2.880 1.00 0.00 H new ATOM 0 HG3 LYS A 29 94.327 -16.376 -1.559 1.00 0.00 H new ATOM 0 HD2 LYS A 29 91.329 -15.973 -1.727 1.00 0.00 H new ATOM 0 HD3 LYS A 29 92.080 -17.120 -2.818 1.00 0.00 H new ATOM 0 HE2 LYS A 29 92.934 -18.462 -1.009 1.00 0.00 H new ATOM 0 HE3 LYS A 29 92.696 -17.184 0.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 90.955 -18.860 0.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 90.288 -17.375 -0.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 90.519 -18.613 -1.293 1.00 0.00 H new ATOM 494 N LEU A 30 94.088 -11.788 -2.224 1.00 0.00 N ATOM 495 CA LEU A 30 94.147 -10.939 -3.447 1.00 0.00 C ATOM 496 C LEU A 30 95.390 -10.066 -3.403 1.00 0.00 C ATOM 497 O LEU A 30 95.788 -9.463 -4.379 1.00 0.00 O ATOM 498 CB LEU A 30 92.896 -10.063 -3.536 1.00 0.00 C ATOM 499 CG LEU A 30 91.651 -10.950 -3.559 1.00 0.00 C ATOM 500 CD1 LEU A 30 90.398 -10.073 -3.515 1.00 0.00 C ATOM 501 CD2 LEU A 30 91.645 -11.784 -4.842 1.00 0.00 C ATOM 0 H LEU A 30 93.546 -11.399 -1.452 1.00 0.00 H new ATOM 0 HA LEU A 30 94.191 -11.581 -4.327 1.00 0.00 H new ATOM 0 HB2 LEU A 30 92.855 -9.383 -2.685 1.00 0.00 H new ATOM 0 HB3 LEU A 30 92.933 -9.448 -4.435 1.00 0.00 H new ATOM 0 HG LEU A 30 91.660 -11.613 -2.694 1.00 0.00 H new ATOM 0 HD11 LEU A 30 89.510 -10.705 -3.531 1.00 0.00 H new ATOM 0 HD12 LEU A 30 90.402 -9.478 -2.602 1.00 0.00 H new ATOM 0 HD13 LEU A 30 90.387 -9.410 -4.380 1.00 0.00 H new ATOM 0 HD21 LEU A 30 90.758 -12.417 -4.860 1.00 0.00 H new ATOM 0 HD22 LEU A 30 91.635 -11.121 -5.707 1.00 0.00 H new ATOM 0 HD23 LEU A 30 92.538 -12.409 -4.874 1.00 0.00 H new ATOM 513 N ALA A 31 95.996 -10.005 -2.270 1.00 0.00 N ATOM 514 CA ALA A 31 97.226 -9.177 -2.111 1.00 0.00 C ATOM 515 C ALA A 31 98.374 -9.808 -2.900 1.00 0.00 C ATOM 516 O ALA A 31 99.122 -9.130 -3.575 1.00 0.00 O ATOM 517 CB ALA A 31 97.604 -9.101 -0.630 1.00 0.00 C ATOM 0 H ALA A 31 95.697 -10.496 -1.428 1.00 0.00 H new ATOM 0 HA ALA A 31 97.037 -8.172 -2.489 1.00 0.00 H new ATOM 0 HB1 ALA A 31 98.503 -8.496 -0.515 1.00 0.00 H new ATOM 0 HB2 ALA A 31 96.787 -8.648 -0.069 1.00 0.00 H new ATOM 0 HB3 ALA A 31 97.792 -10.105 -0.250 1.00 0.00 H new ATOM 523 N ALA A 32 98.522 -11.102 -2.819 1.00 0.00 N ATOM 524 CA ALA A 32 99.623 -11.774 -3.564 1.00 0.00 C ATOM 525 C ALA A 32 99.699 -11.208 -4.983 1.00 0.00 C ATOM 526 O ALA A 32 100.681 -11.379 -5.678 1.00 0.00 O ATOM 527 CB ALA A 32 99.352 -13.278 -3.628 1.00 0.00 C ATOM 0 H ALA A 32 97.928 -11.723 -2.269 1.00 0.00 H new ATOM 0 HA ALA A 32 100.569 -11.597 -3.052 1.00 0.00 H new ATOM 0 HB1 ALA A 32 100.158 -13.770 -4.173 1.00 0.00 H new ATOM 0 HB2 ALA A 32 99.299 -13.681 -2.617 1.00 0.00 H new ATOM 0 HB3 ALA A 32 98.406 -13.456 -4.140 1.00 0.00 H new ATOM 533 N HIS A 33 98.669 -10.536 -5.421 1.00 0.00 N ATOM 534 CA HIS A 33 98.684 -9.960 -6.795 1.00 0.00 C ATOM 535 C HIS A 33 99.665 -8.788 -6.844 1.00 0.00 C ATOM 536 O HIS A 33 99.393 -7.763 -7.438 1.00 0.00 O ATOM 537 CB HIS A 33 97.282 -9.468 -7.157 1.00 0.00 C ATOM 538 CG HIS A 33 97.157 -9.361 -8.652 1.00 0.00 C ATOM 539 ND1 HIS A 33 97.323 -8.158 -9.325 1.00 0.00 N ATOM 540 CD2 HIS A 33 96.882 -10.296 -9.619 1.00 0.00 C ATOM 541 CE1 HIS A 33 97.148 -8.399 -10.637 1.00 0.00 C ATOM 542 NE2 HIS A 33 96.878 -9.685 -10.868 1.00 0.00 N ATOM 0 H HIS A 33 97.818 -10.361 -4.886 1.00 0.00 H new ATOM 0 HA HIS A 33 98.995 -10.724 -7.507 1.00 0.00 H new ATOM 0 HB2 HIS A 33 96.532 -10.156 -6.767 1.00 0.00 H new ATOM 0 HB3 HIS A 33 97.095 -8.498 -6.696 1.00 0.00 H new ATOM 0 HD2 HIS A 33 96.697 -11.344 -9.438 1.00 0.00 H new ATOM 0 HE1 HIS A 33 97.217 -7.645 -11.407 1.00 0.00 H new ATOM 0 HE2 HIS A 33 96.705 -10.127 -11.771 1.00 0.00 H new ATOM 550 N ASP A 34 100.804 -8.928 -6.224 1.00 0.00 N ATOM 551 CA ASP A 34 101.802 -7.821 -6.236 1.00 0.00 C ATOM 552 C ASP A 34 102.025 -7.350 -7.675 1.00 0.00 C ATOM 553 O ASP A 34 102.893 -7.840 -8.370 1.00 0.00 O ATOM 554 CB ASP A 34 103.124 -8.320 -5.647 1.00 0.00 C ATOM 555 CG ASP A 34 102.842 -9.388 -4.591 1.00 0.00 C ATOM 556 OD1 ASP A 34 102.576 -9.019 -3.458 1.00 0.00 O ATOM 557 OD2 ASP A 34 102.895 -10.559 -4.931 1.00 0.00 O ATOM 0 H ASP A 34 101.087 -9.762 -5.709 1.00 0.00 H new ATOM 0 HA ASP A 34 101.431 -6.989 -5.638 1.00 0.00 H new ATOM 0 HB2 ASP A 34 103.753 -8.731 -6.436 1.00 0.00 H new ATOM 0 HB3 ASP A 34 103.672 -7.490 -5.202 1.00 0.00 H new ATOM 562 N ASN A 35 101.249 -6.405 -8.127 1.00 0.00 N ATOM 563 CA ASN A 35 101.414 -5.901 -9.518 1.00 0.00 C ATOM 564 C ASN A 35 101.048 -4.415 -9.566 1.00 0.00 C ATOM 565 O ASN A 35 100.371 -3.965 -10.470 1.00 0.00 O ATOM 566 CB ASN A 35 100.491 -6.683 -10.455 1.00 0.00 C ATOM 567 CG ASN A 35 100.821 -6.332 -11.907 1.00 0.00 C ATOM 568 OD1 ASN A 35 101.808 -5.518 -12.161 1.00 0.00 O flip ATOM 569 ND2 ASN A 35 100.174 -6.804 -12.820 1.00 0.00 N flip ATOM 0 H ASN A 35 100.505 -5.959 -7.591 1.00 0.00 H new ATOM 0 HA ASN A 35 102.449 -6.032 -9.834 1.00 0.00 H new ATOM 0 HB2 ASN A 35 100.613 -7.754 -10.292 1.00 0.00 H new ATOM 0 HB3 ASN A 35 99.450 -6.444 -10.240 1.00 0.00 H new ATOM 0 HD21 ASN A 35 99.402 -7.441 -12.622 1.00 0.00 H new ATOM 0 HD22 ASN A 35 100.403 -6.564 -13.785 1.00 0.00 H new ATOM 576 N LEU A 36 101.476 -3.649 -8.597 1.00 0.00 N ATOM 577 CA LEU A 36 101.132 -2.199 -8.590 1.00 0.00 C ATOM 578 C LEU A 36 102.273 -1.373 -9.195 1.00 0.00 C ATOM 579 O LEU A 36 103.328 -1.884 -9.528 1.00 0.00 O ATOM 580 CB LEU A 36 100.862 -1.743 -7.150 1.00 0.00 C ATOM 581 CG LEU A 36 102.185 -1.508 -6.405 1.00 0.00 C ATOM 582 CD1 LEU A 36 102.415 -0.006 -6.214 1.00 0.00 C ATOM 583 CD2 LEU A 36 102.126 -2.185 -5.033 1.00 0.00 C ATOM 0 H LEU A 36 102.047 -3.965 -7.813 1.00 0.00 H new ATOM 0 HA LEU A 36 100.237 -2.046 -9.194 1.00 0.00 H new ATOM 0 HB2 LEU A 36 100.273 -0.826 -7.157 1.00 0.00 H new ATOM 0 HB3 LEU A 36 100.272 -2.496 -6.628 1.00 0.00 H new ATOM 0 HG LEU A 36 103.003 -1.929 -6.990 1.00 0.00 H new ATOM 0 HD11 LEU A 36 103.355 0.154 -5.685 1.00 0.00 H new ATOM 0 HD12 LEU A 36 102.459 0.482 -7.188 1.00 0.00 H new ATOM 0 HD13 LEU A 36 101.595 0.417 -5.633 1.00 0.00 H new ATOM 0 HD21 LEU A 36 103.065 -2.018 -4.504 1.00 0.00 H new ATOM 0 HD22 LEU A 36 101.304 -1.764 -4.454 1.00 0.00 H new ATOM 0 HD23 LEU A 36 101.967 -3.256 -5.162 1.00 0.00 H new ATOM 595 N LYS A 37 102.057 -0.093 -9.337 1.00 0.00 N ATOM 596 CA LYS A 37 103.105 0.793 -9.920 1.00 0.00 C ATOM 597 C LYS A 37 103.314 2.003 -9.010 1.00 0.00 C ATOM 598 O LYS A 37 102.416 2.428 -8.310 1.00 0.00 O ATOM 599 CB LYS A 37 102.649 1.273 -11.299 1.00 0.00 C ATOM 600 CG LYS A 37 103.044 0.242 -12.360 1.00 0.00 C ATOM 601 CD LYS A 37 102.067 0.317 -13.534 1.00 0.00 C ATOM 602 CE LYS A 37 102.698 -0.337 -14.765 1.00 0.00 C ATOM 603 NZ LYS A 37 101.734 -0.290 -15.901 1.00 0.00 N ATOM 0 H LYS A 37 101.193 0.380 -9.072 1.00 0.00 H new ATOM 0 HA LYS A 37 104.040 0.240 -10.012 1.00 0.00 H new ATOM 0 HB2 LYS A 37 101.569 1.420 -11.305 1.00 0.00 H new ATOM 0 HB3 LYS A 37 103.103 2.237 -11.528 1.00 0.00 H new ATOM 0 HG2 LYS A 37 104.060 0.432 -12.706 1.00 0.00 H new ATOM 0 HG3 LYS A 37 103.036 -0.759 -11.930 1.00 0.00 H new ATOM 0 HD2 LYS A 37 101.135 -0.187 -13.278 1.00 0.00 H new ATOM 0 HD3 LYS A 37 101.818 1.356 -13.748 1.00 0.00 H new ATOM 0 HE2 LYS A 37 103.619 0.181 -15.034 1.00 0.00 H new ATOM 0 HE3 LYS A 37 102.966 -1.370 -14.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 102.162 -0.734 -16.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 100.867 -0.803 -15.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 101.499 0.700 -16.116 1.00 0.00 H new ATOM 617 N LEU A 38 104.491 2.568 -9.015 1.00 0.00 N ATOM 618 CA LEU A 38 104.745 3.753 -8.149 1.00 0.00 C ATOM 619 C LEU A 38 105.657 4.740 -8.880 1.00 0.00 C ATOM 620 O LEU A 38 106.471 4.359 -9.699 1.00 0.00 O ATOM 621 CB LEU A 38 105.410 3.304 -6.846 1.00 0.00 C ATOM 622 CG LEU A 38 106.669 2.489 -7.157 1.00 0.00 C ATOM 623 CD1 LEU A 38 107.704 2.709 -6.051 1.00 0.00 C ATOM 624 CD2 LEU A 38 106.313 1.001 -7.228 1.00 0.00 C ATOM 0 H LEU A 38 105.284 2.261 -9.579 1.00 0.00 H new ATOM 0 HA LEU A 38 103.798 4.242 -7.920 1.00 0.00 H new ATOM 0 HB2 LEU A 38 105.669 4.173 -6.241 1.00 0.00 H new ATOM 0 HB3 LEU A 38 104.714 2.704 -6.260 1.00 0.00 H new ATOM 0 HG LEU A 38 107.081 2.811 -8.114 1.00 0.00 H new ATOM 0 HD11 LEU A 38 108.601 2.129 -6.271 1.00 0.00 H new ATOM 0 HD12 LEU A 38 107.960 3.767 -5.997 1.00 0.00 H new ATOM 0 HD13 LEU A 38 107.290 2.387 -5.096 1.00 0.00 H new ATOM 0 HD21 LEU A 38 107.210 0.422 -7.449 1.00 0.00 H new ATOM 0 HD22 LEU A 38 105.901 0.679 -6.272 1.00 0.00 H new ATOM 0 HD23 LEU A 38 105.575 0.841 -8.014 1.00 0.00 H new ATOM 636 N THR A 39 105.523 6.007 -8.594 1.00 0.00 N ATOM 637 CA THR A 39 106.377 7.024 -9.274 1.00 0.00 C ATOM 638 C THR A 39 107.349 7.637 -8.264 1.00 0.00 C ATOM 639 O THR A 39 106.966 8.425 -7.424 1.00 0.00 O ATOM 640 CB THR A 39 105.489 8.126 -9.859 1.00 0.00 C ATOM 641 OG1 THR A 39 104.229 7.575 -10.216 1.00 0.00 O ATOM 642 CG2 THR A 39 106.158 8.723 -11.098 1.00 0.00 C ATOM 0 H THR A 39 104.858 6.383 -7.918 1.00 0.00 H new ATOM 0 HA THR A 39 106.941 6.545 -10.075 1.00 0.00 H new ATOM 0 HB THR A 39 105.346 8.910 -9.116 1.00 0.00 H new ATOM 0 HG1 THR A 39 103.626 8.294 -10.499 1.00 0.00 H new ATOM 0 HG21 THR A 39 105.524 9.507 -11.512 1.00 0.00 H new ATOM 0 HG22 THR A 39 107.124 9.146 -10.822 1.00 0.00 H new ATOM 0 HG23 THR A 39 106.304 7.942 -11.845 1.00 0.00 H new ATOM 650 N ILE A 40 108.606 7.286 -8.336 1.00 0.00 N ATOM 651 CA ILE A 40 109.584 7.861 -7.371 1.00 0.00 C ATOM 652 C ILE A 40 110.291 9.061 -7.999 1.00 0.00 C ATOM 653 O ILE A 40 110.900 8.960 -9.051 1.00 0.00 O ATOM 654 CB ILE A 40 110.630 6.809 -6.992 1.00 0.00 C ATOM 655 CG1 ILE A 40 110.041 5.409 -7.158 1.00 0.00 C ATOM 656 CG2 ILE A 40 111.060 7.013 -5.537 1.00 0.00 C ATOM 657 CD1 ILE A 40 110.362 4.892 -8.559 1.00 0.00 C ATOM 0 H ILE A 40 108.994 6.632 -9.016 1.00 0.00 H new ATOM 0 HA ILE A 40 109.045 8.178 -6.478 1.00 0.00 H new ATOM 0 HB ILE A 40 111.496 6.915 -7.645 1.00 0.00 H new ATOM 0 HG12 ILE A 40 110.453 4.736 -6.406 1.00 0.00 H new ATOM 0 HG13 ILE A 40 108.962 5.435 -7.005 1.00 0.00 H new ATOM 0 HG21 ILE A 40 111.804 6.263 -5.269 1.00 0.00 H new ATOM 0 HG22 ILE A 40 111.489 8.008 -5.421 1.00 0.00 H new ATOM 0 HG23 ILE A 40 110.193 6.913 -4.884 1.00 0.00 H new ATOM 0 HD11 ILE A 40 109.944 3.893 -8.683 1.00 0.00 H new ATOM 0 HD12 ILE A 40 109.929 5.561 -9.302 1.00 0.00 H new ATOM 0 HD13 ILE A 40 111.443 4.852 -8.693 1.00 0.00 H new ATOM 669 N THR A 41 110.225 10.188 -7.344 1.00 0.00 N ATOM 670 CA THR A 41 110.896 11.410 -7.851 1.00 0.00 C ATOM 671 C THR A 41 111.754 11.976 -6.720 1.00 0.00 C ATOM 672 O THR A 41 111.466 11.769 -5.559 1.00 0.00 O ATOM 673 CB THR A 41 109.846 12.440 -8.266 1.00 0.00 C ATOM 674 OG1 THR A 41 108.709 11.771 -8.794 1.00 0.00 O ATOM 675 CG2 THR A 41 110.433 13.373 -9.326 1.00 0.00 C ATOM 0 H THR A 41 109.725 10.311 -6.464 1.00 0.00 H new ATOM 0 HA THR A 41 111.514 11.174 -8.717 1.00 0.00 H new ATOM 0 HB THR A 41 109.549 13.026 -7.396 1.00 0.00 H new ATOM 0 HG1 THR A 41 108.035 12.431 -9.059 1.00 0.00 H new ATOM 0 HG21 THR A 41 109.683 14.107 -9.621 1.00 0.00 H new ATOM 0 HG22 THR A 41 111.302 13.887 -8.917 1.00 0.00 H new ATOM 0 HG23 THR A 41 110.733 12.791 -10.197 1.00 0.00 H new ATOM 683 N GLN A 42 112.811 12.671 -7.035 1.00 0.00 N ATOM 684 CA GLN A 42 113.677 13.219 -5.951 1.00 0.00 C ATOM 685 C GLN A 42 113.868 14.725 -6.125 1.00 0.00 C ATOM 686 O GLN A 42 113.879 15.239 -7.225 1.00 0.00 O ATOM 687 CB GLN A 42 115.041 12.531 -5.998 1.00 0.00 C ATOM 688 CG GLN A 42 114.847 11.024 -5.862 1.00 0.00 C ATOM 689 CD GLN A 42 116.207 10.325 -5.900 1.00 0.00 C ATOM 690 OE1 GLN A 42 117.164 10.802 -5.323 1.00 0.00 O ATOM 691 NE2 GLN A 42 116.334 9.207 -6.561 1.00 0.00 N ATOM 0 H GLN A 42 113.112 12.883 -7.986 1.00 0.00 H new ATOM 0 HA GLN A 42 113.196 13.034 -4.991 1.00 0.00 H new ATOM 0 HB2 GLN A 42 115.546 12.762 -6.936 1.00 0.00 H new ATOM 0 HB3 GLN A 42 115.677 12.902 -5.194 1.00 0.00 H new ATOM 0 HG2 GLN A 42 114.336 10.796 -4.927 1.00 0.00 H new ATOM 0 HG3 GLN A 42 114.214 10.654 -6.669 1.00 0.00 H new ATOM 0 HE21 GLN A 42 115.530 8.807 -7.045 1.00 0.00 H new ATOM 0 HE22 GLN A 42 117.237 8.733 -6.593 1.00 0.00 H new ATOM 700 N GLU A 43 114.033 15.432 -5.039 1.00 0.00 N ATOM 701 CA GLU A 43 114.239 16.904 -5.130 1.00 0.00 C ATOM 702 C GLU A 43 115.211 17.344 -4.033 1.00 0.00 C ATOM 703 O GLU A 43 114.816 17.866 -3.010 1.00 0.00 O ATOM 704 CB GLU A 43 112.902 17.627 -4.947 1.00 0.00 C ATOM 705 CG GLU A 43 111.853 17.008 -5.875 1.00 0.00 C ATOM 706 CD GLU A 43 110.664 17.962 -6.009 1.00 0.00 C ATOM 707 OE1 GLU A 43 109.790 17.911 -5.159 1.00 0.00 O ATOM 708 OE2 GLU A 43 110.649 18.728 -6.959 1.00 0.00 O ATOM 0 H GLU A 43 114.034 15.052 -4.092 1.00 0.00 H new ATOM 0 HA GLU A 43 114.649 17.153 -6.108 1.00 0.00 H new ATOM 0 HB2 GLU A 43 112.575 17.551 -3.910 1.00 0.00 H new ATOM 0 HB3 GLU A 43 113.017 18.688 -5.168 1.00 0.00 H new ATOM 0 HG2 GLU A 43 112.289 16.813 -6.855 1.00 0.00 H new ATOM 0 HG3 GLU A 43 111.521 16.049 -5.477 1.00 0.00 H new ATOM 715 N GLY A 44 116.483 17.140 -4.244 1.00 0.00 N ATOM 716 CA GLY A 44 117.488 17.547 -3.221 1.00 0.00 C ATOM 717 C GLY A 44 117.203 16.843 -1.890 1.00 0.00 C ATOM 718 O GLY A 44 117.734 15.787 -1.609 1.00 0.00 O ATOM 0 H GLY A 44 116.870 16.708 -5.083 1.00 0.00 H new ATOM 0 HA2 GLY A 44 118.491 17.296 -3.566 1.00 0.00 H new ATOM 0 HA3 GLY A 44 117.460 18.628 -3.083 1.00 0.00 H new ATOM 722 N ASN A 45 116.379 17.431 -1.064 1.00 0.00 N ATOM 723 CA ASN A 45 116.066 16.813 0.258 1.00 0.00 C ATOM 724 C ASN A 45 114.559 16.598 0.383 1.00 0.00 C ATOM 725 O ASN A 45 114.010 16.598 1.468 1.00 0.00 O ATOM 726 CB ASN A 45 116.545 17.735 1.382 1.00 0.00 C ATOM 727 CG ASN A 45 118.016 18.087 1.163 1.00 0.00 C ATOM 728 OD1 ASN A 45 118.388 18.606 0.024 1.00 0.00 O flip ATOM 729 ND2 ASN A 45 118.838 17.889 2.036 1.00 0.00 N flip ATOM 0 H ASN A 45 115.907 18.316 -1.249 1.00 0.00 H new ATOM 0 HA ASN A 45 116.575 15.852 0.334 1.00 0.00 H new ATOM 0 HB2 ASN A 45 115.942 18.643 1.403 1.00 0.00 H new ATOM 0 HB3 ASN A 45 116.417 17.245 2.347 1.00 0.00 H new ATOM 0 HD21 ASN A 45 118.549 17.484 2.926 1.00 0.00 H new ATOM 0 HD22 ASN A 45 119.817 18.128 1.878 1.00 0.00 H new ATOM 736 N LYS A 46 113.885 16.406 -0.714 1.00 0.00 N ATOM 737 CA LYS A 46 112.435 16.184 -0.666 1.00 0.00 C ATOM 738 C LYS A 46 112.077 15.217 -1.785 1.00 0.00 C ATOM 739 O LYS A 46 112.138 15.534 -2.955 1.00 0.00 O ATOM 740 CB LYS A 46 111.715 17.516 -0.877 1.00 0.00 C ATOM 741 CG LYS A 46 110.222 17.264 -1.095 1.00 0.00 C ATOM 742 CD LYS A 46 109.848 17.577 -2.546 1.00 0.00 C ATOM 743 CE LYS A 46 108.326 17.542 -2.700 1.00 0.00 C ATOM 744 NZ LYS A 46 107.754 18.852 -2.281 1.00 0.00 N ATOM 0 H LYS A 46 114.292 16.395 -1.649 1.00 0.00 H new ATOM 0 HA LYS A 46 112.135 15.772 0.298 1.00 0.00 H new ATOM 0 HB2 LYS A 46 111.862 18.162 -0.011 1.00 0.00 H new ATOM 0 HB3 LYS A 46 112.136 18.036 -1.738 1.00 0.00 H new ATOM 0 HG2 LYS A 46 109.982 16.226 -0.864 1.00 0.00 H new ATOM 0 HG3 LYS A 46 109.637 17.885 -0.417 1.00 0.00 H new ATOM 0 HD2 LYS A 46 110.230 18.558 -2.828 1.00 0.00 H new ATOM 0 HD3 LYS A 46 110.309 16.851 -3.216 1.00 0.00 H new ATOM 0 HE2 LYS A 46 108.059 17.331 -3.736 1.00 0.00 H new ATOM 0 HE3 LYS A 46 107.907 16.739 -2.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 106.720 18.828 -2.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 107.997 19.035 -1.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 108.145 19.608 -2.878 1.00 0.00 H new ATOM 758 N PHE A 47 111.716 14.035 -1.418 1.00 0.00 N ATOM 759 CA PHE A 47 111.355 13.003 -2.426 1.00 0.00 C ATOM 760 C PHE A 47 109.845 13.032 -2.662 1.00 0.00 C ATOM 761 O PHE A 47 109.114 13.722 -1.979 1.00 0.00 O ATOM 762 CB PHE A 47 111.764 11.623 -1.903 1.00 0.00 C ATOM 763 CG PHE A 47 113.216 11.350 -2.223 1.00 0.00 C ATOM 764 CD1 PHE A 47 114.141 12.402 -2.271 1.00 0.00 C ATOM 765 CD2 PHE A 47 113.642 10.037 -2.463 1.00 0.00 C ATOM 766 CE1 PHE A 47 115.486 12.140 -2.560 1.00 0.00 C ATOM 767 CE2 PHE A 47 114.986 9.775 -2.753 1.00 0.00 C ATOM 768 CZ PHE A 47 115.908 10.827 -2.800 1.00 0.00 C ATOM 0 H PHE A 47 111.652 13.727 -0.448 1.00 0.00 H new ATOM 0 HA PHE A 47 111.873 13.207 -3.363 1.00 0.00 H new ATOM 0 HB2 PHE A 47 111.606 11.574 -0.826 1.00 0.00 H new ATOM 0 HB3 PHE A 47 111.135 10.855 -2.353 1.00 0.00 H new ATOM 0 HD1 PHE A 47 113.816 13.415 -2.085 1.00 0.00 H new ATOM 0 HD2 PHE A 47 112.931 9.225 -2.424 1.00 0.00 H new ATOM 0 HE1 PHE A 47 116.198 12.951 -2.598 1.00 0.00 H new ATOM 0 HE2 PHE A 47 115.311 8.762 -2.940 1.00 0.00 H new ATOM 0 HZ PHE A 47 116.946 10.626 -3.022 1.00 0.00 H new ATOM 778 N THR A 48 109.371 12.282 -3.617 1.00 0.00 N ATOM 779 CA THR A 48 107.915 12.258 -3.887 1.00 0.00 C ATOM 780 C THR A 48 107.553 10.915 -4.515 1.00 0.00 C ATOM 781 O THR A 48 107.804 10.667 -5.677 1.00 0.00 O ATOM 782 CB THR A 48 107.554 13.388 -4.852 1.00 0.00 C ATOM 783 OG1 THR A 48 107.918 14.635 -4.276 1.00 0.00 O ATOM 784 CG2 THR A 48 106.051 13.369 -5.127 1.00 0.00 C ATOM 0 H THR A 48 109.935 11.684 -4.222 1.00 0.00 H new ATOM 0 HA THR A 48 107.364 12.393 -2.957 1.00 0.00 H new ATOM 0 HB THR A 48 108.092 13.250 -5.790 1.00 0.00 H new ATOM 0 HG1 THR A 48 107.689 15.360 -4.894 1.00 0.00 H new ATOM 0 HG21 THR A 48 105.797 14.175 -5.815 1.00 0.00 H new ATOM 0 HG22 THR A 48 105.774 12.413 -5.571 1.00 0.00 H new ATOM 0 HG23 THR A 48 105.508 13.505 -4.192 1.00 0.00 H new ATOM 792 N VAL A 49 106.968 10.049 -3.745 1.00 0.00 N ATOM 793 CA VAL A 49 106.582 8.713 -4.273 1.00 0.00 C ATOM 794 C VAL A 49 105.093 8.713 -4.618 1.00 0.00 C ATOM 795 O VAL A 49 104.252 8.963 -3.777 1.00 0.00 O ATOM 796 CB VAL A 49 106.858 7.644 -3.213 1.00 0.00 C ATOM 797 CG1 VAL A 49 106.371 6.286 -3.721 1.00 0.00 C ATOM 798 CG2 VAL A 49 108.365 7.579 -2.924 1.00 0.00 C ATOM 0 H VAL A 49 106.738 10.208 -2.764 1.00 0.00 H new ATOM 0 HA VAL A 49 107.164 8.495 -5.168 1.00 0.00 H new ATOM 0 HB VAL A 49 106.328 7.898 -2.295 1.00 0.00 H new ATOM 0 HG11 VAL A 49 106.567 5.524 -2.967 1.00 0.00 H new ATOM 0 HG12 VAL A 49 105.300 6.334 -3.918 1.00 0.00 H new ATOM 0 HG13 VAL A 49 106.898 6.031 -4.640 1.00 0.00 H new ATOM 0 HG21 VAL A 49 108.558 6.817 -2.169 1.00 0.00 H new ATOM 0 HG22 VAL A 49 108.900 7.327 -3.839 1.00 0.00 H new ATOM 0 HG23 VAL A 49 108.707 8.547 -2.558 1.00 0.00 H new ATOM 808 N LYS A 50 104.757 8.435 -5.850 1.00 0.00 N ATOM 809 CA LYS A 50 103.321 8.418 -6.244 1.00 0.00 C ATOM 810 C LYS A 50 102.876 6.977 -6.491 1.00 0.00 C ATOM 811 O LYS A 50 103.122 6.412 -7.538 1.00 0.00 O ATOM 812 CB LYS A 50 103.136 9.236 -7.526 1.00 0.00 C ATOM 813 CG LYS A 50 101.739 9.867 -7.540 1.00 0.00 C ATOM 814 CD LYS A 50 101.240 9.979 -8.982 1.00 0.00 C ATOM 815 CE LYS A 50 99.801 10.496 -8.987 1.00 0.00 C ATOM 816 NZ LYS A 50 99.109 10.027 -10.221 1.00 0.00 N ATOM 0 H LYS A 50 105.415 8.219 -6.599 1.00 0.00 H new ATOM 0 HA LYS A 50 102.719 8.851 -5.445 1.00 0.00 H new ATOM 0 HB2 LYS A 50 103.897 10.014 -7.585 1.00 0.00 H new ATOM 0 HB3 LYS A 50 103.265 8.596 -8.399 1.00 0.00 H new ATOM 0 HG2 LYS A 50 101.050 9.261 -6.952 1.00 0.00 H new ATOM 0 HG3 LYS A 50 101.770 10.854 -7.078 1.00 0.00 H new ATOM 0 HD2 LYS A 50 101.882 10.654 -9.548 1.00 0.00 H new ATOM 0 HD3 LYS A 50 101.290 9.006 -9.471 1.00 0.00 H new ATOM 0 HE2 LYS A 50 99.272 10.140 -8.103 1.00 0.00 H new ATOM 0 HE3 LYS A 50 99.794 11.585 -8.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 98.130 10.378 -10.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 99.610 10.388 -11.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 99.104 8.987 -10.242 1.00 0.00 H new ATOM 830 N GLU A 51 102.215 6.377 -5.540 1.00 0.00 N ATOM 831 CA GLU A 51 101.751 4.976 -5.731 1.00 0.00 C ATOM 832 C GLU A 51 100.640 4.960 -6.781 1.00 0.00 C ATOM 833 O GLU A 51 99.955 5.942 -6.981 1.00 0.00 O ATOM 834 CB GLU A 51 101.213 4.427 -4.407 1.00 0.00 C ATOM 835 CG GLU A 51 101.312 2.901 -4.410 1.00 0.00 C ATOM 836 CD GLU A 51 102.741 2.480 -4.062 1.00 0.00 C ATOM 837 OE1 GLU A 51 103.639 3.279 -4.264 1.00 0.00 O ATOM 838 OE2 GLU A 51 102.913 1.364 -3.599 1.00 0.00 O ATOM 0 H GLU A 51 101.977 6.796 -4.641 1.00 0.00 H new ATOM 0 HA GLU A 51 102.583 4.355 -6.063 1.00 0.00 H new ATOM 0 HB2 GLU A 51 101.782 4.837 -3.573 1.00 0.00 H new ATOM 0 HB3 GLU A 51 100.177 4.735 -4.268 1.00 0.00 H new ATOM 0 HG2 GLU A 51 100.612 2.479 -3.689 1.00 0.00 H new ATOM 0 HG3 GLU A 51 101.035 2.510 -5.389 1.00 0.00 H new ATOM 845 N SER A 52 100.444 3.854 -7.446 1.00 0.00 N ATOM 846 CA SER A 52 99.375 3.790 -8.466 1.00 0.00 C ATOM 847 C SER A 52 98.999 2.335 -8.699 1.00 0.00 C ATOM 848 O SER A 52 99.720 1.572 -9.310 1.00 0.00 O ATOM 849 CB SER A 52 99.872 4.408 -9.772 1.00 0.00 C ATOM 850 OG SER A 52 100.659 5.555 -9.478 1.00 0.00 O ATOM 0 H SER A 52 100.981 2.996 -7.323 1.00 0.00 H new ATOM 0 HA SER A 52 98.503 4.344 -8.119 1.00 0.00 H new ATOM 0 HB2 SER A 52 100.462 3.681 -10.331 1.00 0.00 H new ATOM 0 HB3 SER A 52 99.027 4.684 -10.402 1.00 0.00 H new ATOM 0 HG SER A 52 100.249 6.052 -8.740 1.00 0.00 H new ATOM 856 N SER A 53 97.860 1.961 -8.216 1.00 0.00 N ATOM 857 CA SER A 53 97.378 0.571 -8.388 1.00 0.00 C ATOM 858 C SER A 53 95.869 0.607 -8.634 1.00 0.00 C ATOM 859 O SER A 53 95.165 1.428 -8.080 1.00 0.00 O ATOM 860 CB SER A 53 97.675 -0.236 -7.121 1.00 0.00 C ATOM 861 OG SER A 53 98.625 0.467 -6.331 1.00 0.00 O ATOM 0 H SER A 53 97.227 2.571 -7.698 1.00 0.00 H new ATOM 0 HA SER A 53 97.882 0.102 -9.233 1.00 0.00 H new ATOM 0 HB2 SER A 53 96.758 -0.395 -6.553 1.00 0.00 H new ATOM 0 HB3 SER A 53 98.061 -1.221 -7.385 1.00 0.00 H new ATOM 0 HG SER A 53 98.817 -0.045 -5.518 1.00 0.00 H new ATOM 867 N ALA A 54 95.362 -0.268 -9.452 1.00 0.00 N ATOM 868 CA ALA A 54 93.897 -0.268 -9.716 1.00 0.00 C ATOM 869 C ALA A 54 93.147 -0.412 -8.390 1.00 0.00 C ATOM 870 O ALA A 54 91.945 -0.587 -8.363 1.00 0.00 O ATOM 871 CB ALA A 54 93.543 -1.440 -10.634 1.00 0.00 C ATOM 0 H ALA A 54 95.895 -0.982 -9.949 1.00 0.00 H new ATOM 0 HA ALA A 54 93.611 0.667 -10.199 1.00 0.00 H new ATOM 0 HB1 ALA A 54 92.470 -1.440 -10.827 1.00 0.00 H new ATOM 0 HB2 ALA A 54 94.081 -1.340 -11.576 1.00 0.00 H new ATOM 0 HB3 ALA A 54 93.825 -2.377 -10.153 1.00 0.00 H new ATOM 877 N PHE A 55 93.850 -0.358 -7.289 1.00 0.00 N ATOM 878 CA PHE A 55 93.182 -0.509 -5.969 1.00 0.00 C ATOM 879 C PHE A 55 93.078 0.842 -5.253 1.00 0.00 C ATOM 880 O PHE A 55 92.207 1.037 -4.430 1.00 0.00 O ATOM 881 CB PHE A 55 93.988 -1.479 -5.103 1.00 0.00 C ATOM 882 CG PHE A 55 94.591 -2.553 -5.977 1.00 0.00 C ATOM 883 CD1 PHE A 55 95.956 -2.848 -5.883 1.00 0.00 C ATOM 884 CD2 PHE A 55 93.784 -3.254 -6.882 1.00 0.00 C ATOM 885 CE1 PHE A 55 96.515 -3.843 -6.694 1.00 0.00 C ATOM 886 CE2 PHE A 55 94.342 -4.249 -7.692 1.00 0.00 C ATOM 887 CZ PHE A 55 95.708 -4.544 -7.598 1.00 0.00 C ATOM 0 H PHE A 55 94.859 -0.216 -7.250 1.00 0.00 H new ATOM 0 HA PHE A 55 92.176 -0.896 -6.130 1.00 0.00 H new ATOM 0 HB2 PHE A 55 94.775 -0.942 -4.573 1.00 0.00 H new ATOM 0 HB3 PHE A 55 93.344 -1.929 -4.347 1.00 0.00 H new ATOM 0 HD1 PHE A 55 96.578 -2.308 -5.185 1.00 0.00 H new ATOM 0 HD2 PHE A 55 92.731 -3.026 -6.955 1.00 0.00 H new ATOM 0 HE1 PHE A 55 97.569 -4.070 -6.622 1.00 0.00 H new ATOM 0 HE2 PHE A 55 93.720 -4.790 -8.390 1.00 0.00 H new ATOM 0 HZ PHE A 55 96.139 -5.312 -8.223 1.00 0.00 H new ATOM 897 N ARG A 56 93.951 1.777 -5.545 1.00 0.00 N ATOM 898 CA ARG A 56 93.882 3.100 -4.861 1.00 0.00 C ATOM 899 C ARG A 56 95.236 3.798 -4.981 1.00 0.00 C ATOM 900 O ARG A 56 96.092 3.671 -4.128 1.00 0.00 O ATOM 901 CB ARG A 56 93.542 2.910 -3.375 1.00 0.00 C ATOM 902 CG ARG A 56 92.067 3.249 -3.128 1.00 0.00 C ATOM 903 CD ARG A 56 91.526 2.385 -1.988 1.00 0.00 C ATOM 904 NE ARG A 56 92.220 2.746 -0.719 1.00 0.00 N ATOM 905 CZ ARG A 56 91.638 2.527 0.428 1.00 0.00 C ATOM 906 NH1 ARG A 56 92.246 2.842 1.538 1.00 0.00 N ATOM 907 NH2 ARG A 56 90.447 1.994 0.464 1.00 0.00 N ATOM 0 H ARG A 56 94.704 1.678 -6.225 1.00 0.00 H new ATOM 0 HA ARG A 56 93.106 3.705 -5.330 1.00 0.00 H new ATOM 0 HB2 ARG A 56 93.742 1.881 -3.076 1.00 0.00 H new ATOM 0 HB3 ARG A 56 94.178 3.549 -2.763 1.00 0.00 H new ATOM 0 HG2 ARG A 56 91.963 4.305 -2.878 1.00 0.00 H new ATOM 0 HG3 ARG A 56 91.487 3.077 -4.035 1.00 0.00 H new ATOM 0 HD2 ARG A 56 90.451 2.534 -1.883 1.00 0.00 H new ATOM 0 HD3 ARG A 56 91.681 1.330 -2.212 1.00 0.00 H new ATOM 0 HE ARG A 56 93.150 3.164 -0.747 1.00 0.00 H new ATOM 0 HH11 ARG A 56 93.176 3.259 1.509 1.00 0.00 H new ATOM 0 HH12 ARG A 56 91.791 2.671 2.435 1.00 0.00 H new ATOM 0 HH21 ARG A 56 89.972 1.749 -0.404 1.00 0.00 H new ATOM 0 HH22 ARG A 56 89.992 1.823 1.361 1.00 0.00 H new ATOM 921 N ASN A 57 95.434 4.535 -6.034 1.00 0.00 N ATOM 922 CA ASN A 57 96.732 5.245 -6.214 1.00 0.00 C ATOM 923 C ASN A 57 96.922 6.249 -5.076 1.00 0.00 C ATOM 924 O ASN A 57 95.977 6.844 -4.598 1.00 0.00 O ATOM 925 CB ASN A 57 96.725 5.988 -7.552 1.00 0.00 C ATOM 926 CG ASN A 57 95.686 7.110 -7.508 1.00 0.00 C ATOM 927 OD1 ASN A 57 94.795 7.097 -6.681 1.00 0.00 O ATOM 928 ND2 ASN A 57 95.763 8.087 -8.370 1.00 0.00 N ATOM 0 H ASN A 57 94.754 4.678 -6.780 1.00 0.00 H new ATOM 0 HA ASN A 57 97.548 4.522 -6.204 1.00 0.00 H new ATOM 0 HB2 ASN A 57 97.713 6.401 -7.756 1.00 0.00 H new ATOM 0 HB3 ASN A 57 96.495 5.297 -8.363 1.00 0.00 H new ATOM 0 HD21 ASN A 57 95.075 8.840 -8.350 1.00 0.00 H new ATOM 0 HD22 ASN A 57 96.511 8.097 -9.064 1.00 0.00 H new ATOM 935 N ILE A 58 98.135 6.430 -4.628 1.00 0.00 N ATOM 936 CA ILE A 58 98.384 7.381 -3.509 1.00 0.00 C ATOM 937 C ILE A 58 99.619 8.228 -3.798 1.00 0.00 C ATOM 938 O ILE A 58 100.329 8.021 -4.762 1.00 0.00 O ATOM 939 CB ILE A 58 98.617 6.612 -2.216 1.00 0.00 C ATOM 940 CG1 ILE A 58 97.772 5.340 -2.212 1.00 0.00 C ATOM 941 CG2 ILE A 58 98.226 7.487 -1.019 1.00 0.00 C ATOM 942 CD1 ILE A 58 97.622 4.855 -0.774 1.00 0.00 C ATOM 0 H ILE A 58 98.965 5.959 -4.990 1.00 0.00 H new ATOM 0 HA ILE A 58 97.511 8.026 -3.409 1.00 0.00 H new ATOM 0 HB ILE A 58 99.671 6.346 -2.143 1.00 0.00 H new ATOM 0 HG12 ILE A 58 96.793 5.536 -2.648 1.00 0.00 H new ATOM 0 HG13 ILE A 58 98.245 4.571 -2.823 1.00 0.00 H new ATOM 0 HG21 ILE A 58 98.394 6.935 -0.094 1.00 0.00 H new ATOM 0 HG22 ILE A 58 98.833 8.392 -1.016 1.00 0.00 H new ATOM 0 HG23 ILE A 58 97.173 7.757 -1.094 1.00 0.00 H new ATOM 0 HD11 ILE A 58 97.020 3.946 -0.757 1.00 0.00 H new ATOM 0 HD12 ILE A 58 98.607 4.646 -0.356 1.00 0.00 H new ATOM 0 HD13 ILE A 58 97.132 5.626 -0.179 1.00 0.00 H new ATOM 954 N GLU A 59 99.872 9.180 -2.951 1.00 0.00 N ATOM 955 CA GLU A 59 101.055 10.067 -3.132 1.00 0.00 C ATOM 956 C GLU A 59 101.555 10.511 -1.756 1.00 0.00 C ATOM 957 O GLU A 59 100.796 10.976 -0.929 1.00 0.00 O ATOM 958 CB GLU A 59 100.651 11.284 -3.981 1.00 0.00 C ATOM 959 CG GLU A 59 101.066 12.585 -3.288 1.00 0.00 C ATOM 960 CD GLU A 59 100.792 13.769 -4.219 1.00 0.00 C ATOM 961 OE1 GLU A 59 101.704 14.548 -4.438 1.00 0.00 O ATOM 962 OE2 GLU A 59 99.675 13.873 -4.697 1.00 0.00 O ATOM 0 H GLU A 59 99.304 9.386 -2.129 1.00 0.00 H new ATOM 0 HA GLU A 59 101.855 9.534 -3.646 1.00 0.00 H new ATOM 0 HB2 GLU A 59 101.121 11.222 -4.962 1.00 0.00 H new ATOM 0 HB3 GLU A 59 99.573 11.280 -4.143 1.00 0.00 H new ATOM 0 HG2 GLU A 59 100.513 12.706 -2.356 1.00 0.00 H new ATOM 0 HG3 GLU A 59 102.124 12.550 -3.029 1.00 0.00 H new ATOM 969 N CYS A 60 102.825 10.365 -1.504 1.00 0.00 N ATOM 970 CA CYS A 60 103.369 10.773 -0.178 1.00 0.00 C ATOM 971 C CYS A 60 104.788 11.318 -0.347 1.00 0.00 C ATOM 972 O CYS A 60 105.641 10.687 -0.943 1.00 0.00 O ATOM 973 CB CYS A 60 103.404 9.561 0.755 1.00 0.00 C ATOM 974 SG CYS A 60 101.717 9.097 1.215 1.00 0.00 S ATOM 0 H CYS A 60 103.509 9.982 -2.156 1.00 0.00 H new ATOM 0 HA CYS A 60 102.730 11.547 0.248 1.00 0.00 H new ATOM 0 HB2 CYS A 60 103.900 8.725 0.262 1.00 0.00 H new ATOM 0 HB3 CYS A 60 103.984 9.794 1.648 1.00 0.00 H new ATOM 980 N VAL A 61 105.051 12.484 0.179 1.00 0.00 N ATOM 981 CA VAL A 61 106.415 13.061 0.059 1.00 0.00 C ATOM 982 C VAL A 61 107.345 12.340 1.029 1.00 0.00 C ATOM 983 O VAL A 61 106.908 11.647 1.926 1.00 0.00 O ATOM 984 CB VAL A 61 106.369 14.552 0.398 1.00 0.00 C ATOM 985 CG1 VAL A 61 105.382 14.787 1.543 1.00 0.00 C ATOM 986 CG2 VAL A 61 107.760 15.037 0.817 1.00 0.00 C ATOM 0 H VAL A 61 104.379 13.060 0.686 1.00 0.00 H new ATOM 0 HA VAL A 61 106.782 12.938 -0.960 1.00 0.00 H new ATOM 0 HB VAL A 61 106.046 15.107 -0.483 1.00 0.00 H new ATOM 0 HG11 VAL A 61 105.350 15.850 1.784 1.00 0.00 H new ATOM 0 HG12 VAL A 61 104.389 14.453 1.242 1.00 0.00 H new ATOM 0 HG13 VAL A 61 105.703 14.226 2.421 1.00 0.00 H new ATOM 0 HG21 VAL A 61 107.718 16.100 1.057 1.00 0.00 H new ATOM 0 HG22 VAL A 61 108.091 14.480 1.694 1.00 0.00 H new ATOM 0 HG23 VAL A 61 108.463 14.877 -0.001 1.00 0.00 H new ATOM 996 N PHE A 62 108.624 12.497 0.857 1.00 0.00 N ATOM 997 CA PHE A 62 109.578 11.818 1.775 1.00 0.00 C ATOM 998 C PHE A 62 110.795 12.717 2.007 1.00 0.00 C ATOM 999 O PHE A 62 111.546 13.018 1.103 1.00 0.00 O ATOM 1000 CB PHE A 62 110.002 10.475 1.157 1.00 0.00 C ATOM 1001 CG PHE A 62 111.433 10.140 1.521 1.00 0.00 C ATOM 1002 CD1 PHE A 62 112.280 9.578 0.558 1.00 0.00 C ATOM 1003 CD2 PHE A 62 111.911 10.383 2.814 1.00 0.00 C ATOM 1004 CE1 PHE A 62 113.603 9.259 0.887 1.00 0.00 C ATOM 1005 CE2 PHE A 62 113.235 10.064 3.144 1.00 0.00 C ATOM 1006 CZ PHE A 62 114.080 9.502 2.181 1.00 0.00 C ATOM 0 H PHE A 62 109.051 13.064 0.124 1.00 0.00 H new ATOM 0 HA PHE A 62 109.102 11.629 2.737 1.00 0.00 H new ATOM 0 HB2 PHE A 62 109.339 9.684 1.507 1.00 0.00 H new ATOM 0 HB3 PHE A 62 109.900 10.521 0.073 1.00 0.00 H new ATOM 0 HD1 PHE A 62 111.912 9.390 -0.440 1.00 0.00 H new ATOM 0 HD2 PHE A 62 111.259 10.817 3.558 1.00 0.00 H new ATOM 0 HE1 PHE A 62 114.255 8.826 0.143 1.00 0.00 H new ATOM 0 HE2 PHE A 62 113.603 10.252 4.142 1.00 0.00 H new ATOM 0 HZ PHE A 62 115.100 9.256 2.436 1.00 0.00 H new ATOM 1016 N GLU A 63 110.991 13.137 3.227 1.00 0.00 N ATOM 1017 CA GLU A 63 112.153 14.011 3.552 1.00 0.00 C ATOM 1018 C GLU A 63 113.073 13.269 4.523 1.00 0.00 C ATOM 1019 O GLU A 63 112.761 12.185 4.977 1.00 0.00 O ATOM 1020 CB GLU A 63 111.657 15.302 4.204 1.00 0.00 C ATOM 1021 CG GLU A 63 111.172 16.267 3.122 1.00 0.00 C ATOM 1022 CD GLU A 63 110.141 17.227 3.718 1.00 0.00 C ATOM 1023 OE1 GLU A 63 110.080 17.320 4.933 1.00 0.00 O ATOM 1024 OE2 GLU A 63 109.430 17.854 2.950 1.00 0.00 O ATOM 0 H GLU A 63 110.390 12.910 4.019 1.00 0.00 H new ATOM 0 HA GLU A 63 112.697 14.257 2.640 1.00 0.00 H new ATOM 0 HB2 GLU A 63 110.847 15.083 4.900 1.00 0.00 H new ATOM 0 HB3 GLU A 63 112.459 15.761 4.783 1.00 0.00 H new ATOM 0 HG2 GLU A 63 112.014 16.827 2.716 1.00 0.00 H new ATOM 0 HG3 GLU A 63 110.731 15.711 2.295 1.00 0.00 H new ATOM 1031 N LEU A 64 114.205 13.831 4.842 1.00 0.00 N ATOM 1032 CA LEU A 64 115.138 13.142 5.774 1.00 0.00 C ATOM 1033 C LEU A 64 115.022 13.731 7.181 1.00 0.00 C ATOM 1034 O LEU A 64 115.280 14.899 7.402 1.00 0.00 O ATOM 1035 CB LEU A 64 116.572 13.311 5.271 1.00 0.00 C ATOM 1036 CG LEU A 64 116.728 12.602 3.925 1.00 0.00 C ATOM 1037 CD1 LEU A 64 117.934 13.179 3.182 1.00 0.00 C ATOM 1038 CD2 LEU A 64 116.940 11.103 4.156 1.00 0.00 C ATOM 0 H LEU A 64 114.524 14.737 4.498 1.00 0.00 H new ATOM 0 HA LEU A 64 114.879 12.084 5.813 1.00 0.00 H new ATOM 0 HB2 LEU A 64 116.809 14.370 5.166 1.00 0.00 H new ATOM 0 HB3 LEU A 64 117.274 12.897 5.995 1.00 0.00 H new ATOM 0 HG LEU A 64 115.827 12.753 3.330 1.00 0.00 H new ATOM 0 HD11 LEU A 64 118.046 12.674 2.222 1.00 0.00 H new ATOM 0 HD12 LEU A 64 117.783 14.245 3.015 1.00 0.00 H new ATOM 0 HD13 LEU A 64 118.834 13.029 3.778 1.00 0.00 H new ATOM 0 HD21 LEU A 64 117.051 10.599 3.196 1.00 0.00 H new ATOM 0 HD22 LEU A 64 117.840 10.950 4.752 1.00 0.00 H new ATOM 0 HD23 LEU A 64 116.080 10.691 4.685 1.00 0.00 H new ATOM 1050 N GLY A 65 114.655 12.923 8.139 1.00 0.00 N ATOM 1051 CA GLY A 65 114.545 13.419 9.542 1.00 0.00 C ATOM 1052 C GLY A 65 113.165 14.034 9.796 1.00 0.00 C ATOM 1053 O GLY A 65 112.844 14.407 10.908 1.00 0.00 O ATOM 0 H GLY A 65 114.426 11.937 8.010 1.00 0.00 H new ATOM 0 HA2 GLY A 65 114.715 12.597 10.237 1.00 0.00 H new ATOM 0 HA3 GLY A 65 115.320 14.162 9.731 1.00 0.00 H new ATOM 1057 N VAL A 66 112.345 14.153 8.788 1.00 0.00 N ATOM 1058 CA VAL A 66 110.997 14.754 8.998 1.00 0.00 C ATOM 1059 C VAL A 66 109.929 13.657 9.023 1.00 0.00 C ATOM 1060 O VAL A 66 109.563 13.112 8.002 1.00 0.00 O ATOM 1061 CB VAL A 66 110.693 15.732 7.861 1.00 0.00 C ATOM 1062 CG1 VAL A 66 109.723 16.808 8.357 1.00 0.00 C ATOM 1063 CG2 VAL A 66 111.993 16.395 7.398 1.00 0.00 C ATOM 0 H VAL A 66 112.549 13.862 7.832 1.00 0.00 H new ATOM 0 HA VAL A 66 110.988 15.282 9.952 1.00 0.00 H new ATOM 0 HB VAL A 66 110.242 15.191 7.029 1.00 0.00 H new ATOM 0 HG11 VAL A 66 109.507 17.504 7.547 1.00 0.00 H new ATOM 0 HG12 VAL A 66 108.797 16.338 8.688 1.00 0.00 H new ATOM 0 HG13 VAL A 66 110.174 17.348 9.189 1.00 0.00 H new ATOM 0 HG21 VAL A 66 111.778 17.092 6.588 1.00 0.00 H new ATOM 0 HG22 VAL A 66 112.443 16.935 8.231 1.00 0.00 H new ATOM 0 HG23 VAL A 66 112.685 15.631 7.045 1.00 0.00 H new ATOM 1073 N THR A 67 109.418 13.334 10.182 1.00 0.00 N ATOM 1074 CA THR A 67 108.367 12.280 10.270 1.00 0.00 C ATOM 1075 C THR A 67 107.150 12.711 9.468 1.00 0.00 C ATOM 1076 O THR A 67 106.772 13.866 9.443 1.00 0.00 O ATOM 1077 CB THR A 67 107.953 12.082 11.727 1.00 0.00 C ATOM 1078 OG1 THR A 67 109.059 12.358 12.576 1.00 0.00 O ATOM 1079 CG2 THR A 67 107.488 10.638 11.940 1.00 0.00 C ATOM 0 H THR A 67 109.684 13.756 11.072 1.00 0.00 H new ATOM 0 HA THR A 67 108.765 11.347 9.872 1.00 0.00 H new ATOM 0 HB THR A 67 107.135 12.761 11.966 1.00 0.00 H new ATOM 0 HG1 THR A 67 108.793 12.233 13.511 1.00 0.00 H new ATOM 0 HG21 THR A 67 107.193 10.500 12.980 1.00 0.00 H new ATOM 0 HG22 THR A 67 106.637 10.430 11.291 1.00 0.00 H new ATOM 0 HG23 THR A 67 108.302 9.954 11.700 1.00 0.00 H new ATOM 1087 N PHE A 68 106.527 11.774 8.832 1.00 0.00 N ATOM 1088 CA PHE A 68 105.312 12.081 8.039 1.00 0.00 C ATOM 1089 C PHE A 68 104.404 10.863 8.091 1.00 0.00 C ATOM 1090 O PHE A 68 104.654 9.937 8.836 1.00 0.00 O ATOM 1091 CB PHE A 68 105.681 12.398 6.587 1.00 0.00 C ATOM 1092 CG PHE A 68 106.982 11.727 6.237 1.00 0.00 C ATOM 1093 CD1 PHE A 68 107.042 10.335 6.122 1.00 0.00 C ATOM 1094 CD2 PHE A 68 108.130 12.499 6.024 1.00 0.00 C ATOM 1095 CE1 PHE A 68 108.254 9.712 5.794 1.00 0.00 C ATOM 1096 CE2 PHE A 68 109.339 11.877 5.698 1.00 0.00 C ATOM 1097 CZ PHE A 68 109.398 10.484 5.582 1.00 0.00 C ATOM 0 H PHE A 68 106.809 10.794 8.825 1.00 0.00 H new ATOM 0 HA PHE A 68 104.807 12.954 8.452 1.00 0.00 H new ATOM 0 HB2 PHE A 68 104.892 12.055 5.918 1.00 0.00 H new ATOM 0 HB3 PHE A 68 105.768 13.476 6.451 1.00 0.00 H new ATOM 0 HD1 PHE A 68 106.155 9.740 6.286 1.00 0.00 H new ATOM 0 HD2 PHE A 68 108.082 13.574 6.111 1.00 0.00 H new ATOM 0 HE1 PHE A 68 108.303 8.637 5.705 1.00 0.00 H new ATOM 0 HE2 PHE A 68 110.226 12.471 5.536 1.00 0.00 H new ATOM 0 HZ PHE A 68 110.332 10.004 5.328 1.00 0.00 H new ATOM 1107 N ASN A 69 103.355 10.844 7.324 1.00 0.00 N ATOM 1108 CA ASN A 69 102.451 9.670 7.367 1.00 0.00 C ATOM 1109 C ASN A 69 102.001 9.293 5.958 1.00 0.00 C ATOM 1110 O ASN A 69 101.931 10.116 5.067 1.00 0.00 O ATOM 1111 CB ASN A 69 101.227 9.999 8.225 1.00 0.00 C ATOM 1112 CG ASN A 69 100.277 10.904 7.436 1.00 0.00 C ATOM 1113 OD1 ASN A 69 100.769 11.764 6.587 1.00 0.00 O flip ATOM 1114 ND2 ASN A 69 99.075 10.825 7.594 1.00 0.00 N flip ATOM 0 H ASN A 69 103.087 11.584 6.675 1.00 0.00 H new ATOM 0 HA ASN A 69 102.989 8.827 7.801 1.00 0.00 H new ATOM 0 HB2 ASN A 69 100.715 9.081 8.514 1.00 0.00 H new ATOM 0 HB3 ASN A 69 101.537 10.494 9.145 1.00 0.00 H new ATOM 0 HD21 ASN A 69 98.691 10.152 8.258 1.00 0.00 H new ATOM 0 HD22 ASN A 69 98.450 11.431 7.063 1.00 0.00 H new ATOM 1121 N CYS A 70 101.684 8.045 5.763 1.00 0.00 N ATOM 1122 CA CYS A 70 101.220 7.577 4.433 1.00 0.00 C ATOM 1123 C CYS A 70 100.408 6.304 4.644 1.00 0.00 C ATOM 1124 O CYS A 70 100.760 5.465 5.449 1.00 0.00 O ATOM 1125 CB CYS A 70 102.424 7.283 3.535 1.00 0.00 C ATOM 1126 SG CYS A 70 101.877 7.173 1.812 1.00 0.00 S ATOM 0 H CYS A 70 101.728 7.321 6.480 1.00 0.00 H new ATOM 0 HA CYS A 70 100.611 8.342 3.952 1.00 0.00 H new ATOM 0 HB2 CYS A 70 103.171 8.069 3.641 1.00 0.00 H new ATOM 0 HB3 CYS A 70 102.898 6.349 3.838 1.00 0.00 H new ATOM 1132 N ASN A 71 99.315 6.153 3.956 1.00 0.00 N ATOM 1133 CA ASN A 71 98.491 4.932 4.160 1.00 0.00 C ATOM 1134 C ASN A 71 98.844 3.877 3.114 1.00 0.00 C ATOM 1135 O ASN A 71 99.114 4.185 1.969 1.00 0.00 O ATOM 1136 CB ASN A 71 97.008 5.290 4.049 1.00 0.00 C ATOM 1137 CG ASN A 71 96.812 6.311 2.927 1.00 0.00 C ATOM 1138 OD1 ASN A 71 97.620 6.301 1.902 1.00 0.00 O flip ATOM 1139 ND2 ASN A 71 95.914 7.128 2.983 1.00 0.00 N flip ATOM 0 H ASN A 71 98.958 6.815 3.267 1.00 0.00 H new ATOM 0 HA ASN A 71 98.695 4.528 5.152 1.00 0.00 H new ATOM 0 HB2 ASN A 71 96.421 4.394 3.847 1.00 0.00 H new ATOM 0 HB3 ASN A 71 96.650 5.699 4.994 1.00 0.00 H new ATOM 0 HD21 ASN A 71 95.282 7.137 3.783 1.00 0.00 H new ATOM 0 HD22 ASN A 71 95.792 7.805 2.230 1.00 0.00 H new ATOM 1146 N LEU A 72 98.839 2.632 3.501 1.00 0.00 N ATOM 1147 CA LEU A 72 99.169 1.548 2.533 1.00 0.00 C ATOM 1148 C LEU A 72 97.881 1.028 1.892 1.00 0.00 C ATOM 1149 O LEU A 72 96.835 0.994 2.514 1.00 0.00 O ATOM 1150 CB LEU A 72 99.871 0.401 3.264 1.00 0.00 C ATOM 1151 CG LEU A 72 101.284 0.836 3.667 1.00 0.00 C ATOM 1152 CD1 LEU A 72 101.750 0.009 4.867 1.00 0.00 C ATOM 1153 CD2 LEU A 72 102.243 0.611 2.493 1.00 0.00 C ATOM 0 H LEU A 72 98.621 2.318 4.446 1.00 0.00 H new ATOM 0 HA LEU A 72 99.829 1.943 1.760 1.00 0.00 H new ATOM 0 HB2 LEU A 72 99.301 0.117 4.149 1.00 0.00 H new ATOM 0 HB3 LEU A 72 99.920 -0.478 2.621 1.00 0.00 H new ATOM 0 HG LEU A 72 101.275 1.893 3.933 1.00 0.00 H new ATOM 0 HD11 LEU A 72 102.755 0.318 5.154 1.00 0.00 H new ATOM 0 HD12 LEU A 72 101.069 0.166 5.704 1.00 0.00 H new ATOM 0 HD13 LEU A 72 101.758 -1.048 4.600 1.00 0.00 H new ATOM 0 HD21 LEU A 72 103.248 0.920 2.780 1.00 0.00 H new ATOM 0 HD22 LEU A 72 102.251 -0.446 2.227 1.00 0.00 H new ATOM 0 HD23 LEU A 72 101.913 1.198 1.636 1.00 0.00 H new ATOM 1165 N ALA A 73 97.952 0.621 0.652 1.00 0.00 N ATOM 1166 CA ALA A 73 96.739 0.102 -0.043 1.00 0.00 C ATOM 1167 C ALA A 73 95.946 -0.798 0.903 1.00 0.00 C ATOM 1168 O ALA A 73 94.732 -0.844 0.859 1.00 0.00 O ATOM 1169 CB ALA A 73 97.163 -0.701 -1.274 1.00 0.00 C ATOM 0 H ALA A 73 98.802 0.626 0.089 1.00 0.00 H new ATOM 0 HA ALA A 73 96.114 0.940 -0.350 1.00 0.00 H new ATOM 0 HB1 ALA A 73 96.277 -1.081 -1.783 1.00 0.00 H new ATOM 0 HB2 ALA A 73 97.724 -0.058 -1.952 1.00 0.00 H new ATOM 0 HB3 ALA A 73 97.790 -1.537 -0.965 1.00 0.00 H new ATOM 1175 N ASP A 74 96.617 -1.515 1.761 1.00 0.00 N ATOM 1176 CA ASP A 74 95.893 -2.410 2.708 1.00 0.00 C ATOM 1177 C ASP A 74 94.951 -1.572 3.578 1.00 0.00 C ATOM 1178 O ASP A 74 94.373 -2.059 4.530 1.00 0.00 O ATOM 1179 CB ASP A 74 96.903 -3.145 3.598 1.00 0.00 C ATOM 1180 CG ASP A 74 98.282 -2.494 3.461 1.00 0.00 C ATOM 1181 OD1 ASP A 74 98.821 -2.077 4.473 1.00 0.00 O ATOM 1182 OD2 ASP A 74 98.773 -2.424 2.347 1.00 0.00 O ATOM 0 H ASP A 74 97.633 -1.520 1.848 1.00 0.00 H new ATOM 0 HA ASP A 74 95.313 -3.142 2.146 1.00 0.00 H new ATOM 0 HB2 ASP A 74 96.577 -3.113 4.638 1.00 0.00 H new ATOM 0 HB3 ASP A 74 96.956 -4.196 3.313 1.00 0.00 H new ATOM 1187 N GLY A 75 94.793 -0.316 3.260 1.00 0.00 N ATOM 1188 CA GLY A 75 93.890 0.550 4.068 1.00 0.00 C ATOM 1189 C GLY A 75 94.536 0.829 5.424 1.00 0.00 C ATOM 1190 O GLY A 75 93.864 1.083 6.403 1.00 0.00 O ATOM 0 H GLY A 75 95.251 0.147 2.475 1.00 0.00 H new ATOM 0 HA2 GLY A 75 93.700 1.486 3.543 1.00 0.00 H new ATOM 0 HA3 GLY A 75 92.926 0.061 4.206 1.00 0.00 H new ATOM 1194 N THR A 76 95.839 0.783 5.491 1.00 0.00 N ATOM 1195 CA THR A 76 96.529 1.042 6.779 1.00 0.00 C ATOM 1196 C THR A 76 97.054 2.475 6.798 1.00 0.00 C ATOM 1197 O THR A 76 97.191 3.113 5.775 1.00 0.00 O ATOM 1198 CB THR A 76 97.703 0.082 6.940 1.00 0.00 C ATOM 1199 OG1 THR A 76 97.533 -1.027 6.068 1.00 0.00 O ATOM 1200 CG2 THR A 76 97.780 -0.408 8.388 1.00 0.00 C ATOM 0 H THR A 76 96.454 0.576 4.704 1.00 0.00 H new ATOM 0 HA THR A 76 95.822 0.895 7.596 1.00 0.00 H new ATOM 0 HB THR A 76 98.628 0.601 6.690 1.00 0.00 H new ATOM 0 HG1 THR A 76 98.349 -1.157 5.542 1.00 0.00 H new ATOM 0 HG21 THR A 76 98.621 -1.093 8.496 1.00 0.00 H new ATOM 0 HG22 THR A 76 97.919 0.444 9.054 1.00 0.00 H new ATOM 0 HG23 THR A 76 96.856 -0.924 8.647 1.00 0.00 H new ATOM 1208 N GLU A 77 97.353 2.973 7.959 1.00 0.00 N ATOM 1209 CA GLU A 77 97.884 4.358 8.078 1.00 0.00 C ATOM 1210 C GLU A 77 99.103 4.341 9.000 1.00 0.00 C ATOM 1211 O GLU A 77 99.013 3.934 10.141 1.00 0.00 O ATOM 1212 CB GLU A 77 96.806 5.270 8.666 1.00 0.00 C ATOM 1213 CG GLU A 77 97.325 6.708 8.709 1.00 0.00 C ATOM 1214 CD GLU A 77 96.297 7.604 9.400 1.00 0.00 C ATOM 1215 OE1 GLU A 77 95.221 7.114 9.701 1.00 0.00 O ATOM 1216 OE2 GLU A 77 96.602 8.765 9.617 1.00 0.00 O ATOM 0 H GLU A 77 97.252 2.475 8.843 1.00 0.00 H new ATOM 0 HA GLU A 77 98.170 4.732 7.095 1.00 0.00 H new ATOM 0 HB2 GLU A 77 95.900 5.217 8.062 1.00 0.00 H new ATOM 0 HB3 GLU A 77 96.540 4.937 9.669 1.00 0.00 H new ATOM 0 HG2 GLU A 77 98.274 6.747 9.244 1.00 0.00 H new ATOM 0 HG3 GLU A 77 97.514 7.067 7.697 1.00 0.00 H new ATOM 1223 N LEU A 78 100.248 4.763 8.525 1.00 0.00 N ATOM 1224 CA LEU A 78 101.453 4.739 9.410 1.00 0.00 C ATOM 1225 C LEU A 78 102.277 6.020 9.243 1.00 0.00 C ATOM 1226 O LEU A 78 102.128 6.752 8.284 1.00 0.00 O ATOM 1227 CB LEU A 78 102.326 3.529 9.059 1.00 0.00 C ATOM 1228 CG LEU A 78 101.479 2.465 8.355 1.00 0.00 C ATOM 1229 CD1 LEU A 78 101.126 2.937 6.939 1.00 0.00 C ATOM 1230 CD2 LEU A 78 102.271 1.156 8.276 1.00 0.00 C ATOM 0 H LEU A 78 100.400 5.117 7.581 1.00 0.00 H new ATOM 0 HA LEU A 78 101.118 4.669 10.445 1.00 0.00 H new ATOM 0 HB2 LEU A 78 103.149 3.837 8.414 1.00 0.00 H new ATOM 0 HB3 LEU A 78 102.769 3.114 9.964 1.00 0.00 H new ATOM 0 HG LEU A 78 100.560 2.303 8.918 1.00 0.00 H new ATOM 0 HD11 LEU A 78 100.523 2.177 6.442 1.00 0.00 H new ATOM 0 HD12 LEU A 78 100.562 3.868 6.996 1.00 0.00 H new ATOM 0 HD13 LEU A 78 102.042 3.102 6.372 1.00 0.00 H new ATOM 0 HD21 LEU A 78 101.670 0.397 7.775 1.00 0.00 H new ATOM 0 HD22 LEU A 78 103.190 1.320 7.714 1.00 0.00 H new ATOM 0 HD23 LEU A 78 102.517 0.818 9.283 1.00 0.00 H new ATOM 1242 N ARG A 79 103.150 6.289 10.182 1.00 0.00 N ATOM 1243 CA ARG A 79 103.997 7.517 10.098 1.00 0.00 C ATOM 1244 C ARG A 79 105.397 7.224 10.642 1.00 0.00 C ATOM 1245 O ARG A 79 105.564 6.442 11.558 1.00 0.00 O ATOM 1246 CB ARG A 79 103.354 8.634 10.924 1.00 0.00 C ATOM 1247 CG ARG A 79 103.118 8.140 12.353 1.00 0.00 C ATOM 1248 CD ARG A 79 102.489 9.260 13.183 1.00 0.00 C ATOM 1249 NE ARG A 79 102.791 9.038 14.625 1.00 0.00 N ATOM 1250 CZ ARG A 79 102.367 9.888 15.519 1.00 0.00 C ATOM 1251 NH1 ARG A 79 102.630 9.693 16.782 1.00 0.00 N ATOM 1252 NH2 ARG A 79 101.679 10.934 15.150 1.00 0.00 N ATOM 0 H ARG A 79 103.312 5.709 11.005 1.00 0.00 H new ATOM 0 HA ARG A 79 104.076 7.828 9.056 1.00 0.00 H new ATOM 0 HB2 ARG A 79 104.000 9.512 10.933 1.00 0.00 H new ATOM 0 HB3 ARG A 79 102.410 8.938 10.472 1.00 0.00 H new ATOM 0 HG2 ARG A 79 102.464 7.268 12.344 1.00 0.00 H new ATOM 0 HG3 ARG A 79 104.061 7.827 12.801 1.00 0.00 H new ATOM 0 HD2 ARG A 79 102.878 10.227 12.863 1.00 0.00 H new ATOM 0 HD3 ARG A 79 101.411 9.283 13.025 1.00 0.00 H new ATOM 0 HE ARG A 79 103.329 8.221 14.913 1.00 0.00 H new ATOM 0 HH11 ARG A 79 103.167 8.876 17.071 1.00 0.00 H new ATOM 0 HH12 ARG A 79 102.298 10.358 17.481 1.00 0.00 H new ATOM 0 HH21 ARG A 79 101.473 11.087 14.163 1.00 0.00 H new ATOM 0 HH22 ARG A 79 101.347 11.599 15.849 1.00 0.00 H new ATOM 1266 N GLY A 80 106.408 7.843 10.085 1.00 0.00 N ATOM 1267 CA GLY A 80 107.783 7.600 10.565 1.00 0.00 C ATOM 1268 C GLY A 80 108.738 8.328 9.632 1.00 0.00 C ATOM 1269 O GLY A 80 108.673 9.530 9.487 1.00 0.00 O ATOM 0 H GLY A 80 106.329 8.508 9.315 1.00 0.00 H new ATOM 0 HA2 GLY A 80 107.900 7.960 11.587 1.00 0.00 H new ATOM 0 HA3 GLY A 80 108.000 6.532 10.576 1.00 0.00 H new ATOM 1273 N THR A 81 109.606 7.618 8.974 1.00 0.00 N ATOM 1274 CA THR A 81 110.546 8.300 8.037 1.00 0.00 C ATOM 1275 C THR A 81 111.593 7.321 7.511 1.00 0.00 C ATOM 1276 O THR A 81 111.892 6.316 8.126 1.00 0.00 O ATOM 1277 CB THR A 81 111.267 9.443 8.767 1.00 0.00 C ATOM 1278 OG1 THR A 81 110.883 9.454 10.135 1.00 0.00 O ATOM 1279 CG2 THR A 81 110.905 10.782 8.125 1.00 0.00 C ATOM 0 H THR A 81 109.708 6.605 9.040 1.00 0.00 H new ATOM 0 HA THR A 81 109.967 8.690 7.200 1.00 0.00 H new ATOM 0 HB THR A 81 112.344 9.289 8.693 1.00 0.00 H new ATOM 0 HG1 THR A 81 110.067 9.986 10.241 1.00 0.00 H new ATOM 0 HG21 THR A 81 111.420 11.588 8.648 1.00 0.00 H new ATOM 0 HG22 THR A 81 111.208 10.777 7.078 1.00 0.00 H new ATOM 0 HG23 THR A 81 109.828 10.937 8.190 1.00 0.00 H new ATOM 1287 N TRP A 82 112.169 7.631 6.382 1.00 0.00 N ATOM 1288 CA TRP A 82 113.224 6.745 5.814 1.00 0.00 C ATOM 1289 C TRP A 82 114.592 7.361 6.091 1.00 0.00 C ATOM 1290 O TRP A 82 114.767 8.562 6.025 1.00 0.00 O ATOM 1291 CB TRP A 82 113.043 6.600 4.300 1.00 0.00 C ATOM 1292 CG TRP A 82 111.599 6.422 3.978 1.00 0.00 C ATOM 1293 CD1 TRP A 82 110.684 7.414 3.964 1.00 0.00 C ATOM 1294 CD2 TRP A 82 110.890 5.205 3.614 1.00 0.00 C ATOM 1295 NE1 TRP A 82 109.455 6.886 3.627 1.00 0.00 N ATOM 1296 CE2 TRP A 82 109.529 5.524 3.398 1.00 0.00 C ATOM 1297 CE3 TRP A 82 111.293 3.866 3.455 1.00 0.00 C ATOM 1298 CZ2 TRP A 82 108.599 4.548 3.035 1.00 0.00 C ATOM 1299 CZ3 TRP A 82 110.361 2.882 3.091 1.00 0.00 C ATOM 1300 CH2 TRP A 82 109.017 3.222 2.881 1.00 0.00 C ATOM 0 H TRP A 82 111.954 8.460 5.828 1.00 0.00 H new ATOM 0 HA TRP A 82 113.147 5.761 6.277 1.00 0.00 H new ATOM 0 HB2 TRP A 82 113.432 7.482 3.792 1.00 0.00 H new ATOM 0 HB3 TRP A 82 113.614 5.746 3.937 1.00 0.00 H new ATOM 0 HD1 TRP A 82 110.882 8.453 4.181 1.00 0.00 H new ATOM 0 HE1 TRP A 82 108.597 7.433 3.555 1.00 0.00 H new ATOM 0 HE3 TRP A 82 112.326 3.594 3.614 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 107.565 4.815 2.874 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 110.681 1.857 2.972 1.00 0.00 H new ATOM 0 HH2 TRP A 82 108.305 2.460 2.600 1.00 0.00 H new ATOM 1311 N SER A 83 115.565 6.553 6.400 1.00 0.00 N ATOM 1312 CA SER A 83 116.922 7.096 6.680 1.00 0.00 C ATOM 1313 C SER A 83 117.953 6.173 6.047 1.00 0.00 C ATOM 1314 O SER A 83 117.686 5.021 5.805 1.00 0.00 O ATOM 1315 CB SER A 83 117.148 7.160 8.192 1.00 0.00 C ATOM 1316 OG SER A 83 118.538 7.043 8.462 1.00 0.00 O ATOM 0 H SER A 83 115.480 5.539 6.471 1.00 0.00 H new ATOM 0 HA SER A 83 117.016 8.100 6.265 1.00 0.00 H new ATOM 0 HB2 SER A 83 116.766 8.100 8.589 1.00 0.00 H new ATOM 0 HB3 SER A 83 116.600 6.359 8.688 1.00 0.00 H new ATOM 0 HG SER A 83 118.688 7.085 9.430 1.00 0.00 H new ATOM 1322 N LEU A 84 119.125 6.646 5.762 1.00 0.00 N ATOM 1323 CA LEU A 84 120.121 5.741 5.154 1.00 0.00 C ATOM 1324 C LEU A 84 120.888 5.051 6.286 1.00 0.00 C ATOM 1325 O LEU A 84 121.363 5.685 7.208 1.00 0.00 O ATOM 1326 CB LEU A 84 121.065 6.552 4.253 1.00 0.00 C ATOM 1327 CG LEU A 84 122.517 6.159 4.519 1.00 0.00 C ATOM 1328 CD1 LEU A 84 122.763 4.731 4.024 1.00 0.00 C ATOM 1329 CD2 LEU A 84 123.449 7.123 3.781 1.00 0.00 C ATOM 0 H LEU A 84 119.433 7.605 5.921 1.00 0.00 H new ATOM 0 HA LEU A 84 119.638 4.985 4.535 1.00 0.00 H new ATOM 0 HB2 LEU A 84 120.819 6.377 3.206 1.00 0.00 H new ATOM 0 HB3 LEU A 84 120.930 7.618 4.438 1.00 0.00 H new ATOM 0 HG LEU A 84 122.715 6.209 5.590 1.00 0.00 H new ATOM 0 HD11 LEU A 84 123.800 4.453 4.215 1.00 0.00 H new ATOM 0 HD12 LEU A 84 122.100 4.044 4.551 1.00 0.00 H new ATOM 0 HD13 LEU A 84 122.564 4.678 2.954 1.00 0.00 H new ATOM 0 HD21 LEU A 84 124.485 6.843 3.970 1.00 0.00 H new ATOM 0 HD22 LEU A 84 123.250 7.074 2.711 1.00 0.00 H new ATOM 0 HD23 LEU A 84 123.277 8.139 4.136 1.00 0.00 H new ATOM 1341 N GLU A 85 121.004 3.756 6.227 1.00 0.00 N ATOM 1342 CA GLU A 85 121.729 3.016 7.288 1.00 0.00 C ATOM 1343 C GLU A 85 122.719 2.067 6.616 1.00 0.00 C ATOM 1344 O GLU A 85 122.348 1.238 5.811 1.00 0.00 O ATOM 1345 CB GLU A 85 120.720 2.231 8.139 1.00 0.00 C ATOM 1346 CG GLU A 85 121.236 0.814 8.406 1.00 0.00 C ATOM 1347 CD GLU A 85 120.371 0.150 9.479 1.00 0.00 C ATOM 1348 OE1 GLU A 85 120.182 -1.053 9.398 1.00 0.00 O ATOM 1349 OE2 GLU A 85 119.912 0.855 10.362 1.00 0.00 O ATOM 0 H GLU A 85 120.623 3.175 5.481 1.00 0.00 H new ATOM 0 HA GLU A 85 122.269 3.703 7.940 1.00 0.00 H new ATOM 0 HB2 GLU A 85 120.552 2.748 9.084 1.00 0.00 H new ATOM 0 HB3 GLU A 85 119.760 2.185 7.625 1.00 0.00 H new ATOM 0 HG2 GLU A 85 121.210 0.227 7.488 1.00 0.00 H new ATOM 0 HG3 GLU A 85 122.275 0.849 8.732 1.00 0.00 H new ATOM 1356 N GLY A 86 123.978 2.190 6.923 1.00 0.00 N ATOM 1357 CA GLY A 86 124.977 1.301 6.277 1.00 0.00 C ATOM 1358 C GLY A 86 124.897 1.494 4.763 1.00 0.00 C ATOM 1359 O GLY A 86 125.304 2.512 4.237 1.00 0.00 O ATOM 0 H GLY A 86 124.356 2.864 7.589 1.00 0.00 H new ATOM 0 HA2 GLY A 86 125.979 1.535 6.635 1.00 0.00 H new ATOM 0 HA3 GLY A 86 124.781 0.261 6.536 1.00 0.00 H new ATOM 1363 N ASN A 87 124.376 0.529 4.055 1.00 0.00 N ATOM 1364 CA ASN A 87 124.269 0.664 2.573 1.00 0.00 C ATOM 1365 C ASN A 87 122.821 0.451 2.123 1.00 0.00 C ATOM 1366 O ASN A 87 122.573 -0.085 1.062 1.00 0.00 O ATOM 1367 CB ASN A 87 125.170 -0.376 1.902 1.00 0.00 C ATOM 1368 CG ASN A 87 126.620 -0.146 2.331 1.00 0.00 C ATOM 1369 OD1 ASN A 87 126.901 0.014 3.502 1.00 0.00 O ATOM 1370 ND2 ASN A 87 127.560 -0.127 1.425 1.00 0.00 N ATOM 0 H ASN A 87 124.020 -0.347 4.438 1.00 0.00 H new ATOM 0 HA ASN A 87 124.584 1.667 2.285 1.00 0.00 H new ATOM 0 HB2 ASN A 87 124.852 -1.381 2.179 1.00 0.00 H new ATOM 0 HB3 ASN A 87 125.084 -0.302 0.818 1.00 0.00 H new ATOM 0 HD21 ASN A 87 128.531 0.022 1.700 1.00 0.00 H new ATOM 0 HD22 ASN A 87 127.324 -0.261 0.442 1.00 0.00 H new ATOM 1377 N LYS A 88 121.858 0.851 2.911 1.00 0.00 N ATOM 1378 CA LYS A 88 120.445 0.646 2.495 1.00 0.00 C ATOM 1379 C LYS A 88 119.568 1.785 3.020 1.00 0.00 C ATOM 1380 O LYS A 88 119.929 2.487 3.943 1.00 0.00 O ATOM 1381 CB LYS A 88 119.942 -0.683 3.059 1.00 0.00 C ATOM 1382 CG LYS A 88 120.380 -0.825 4.520 1.00 0.00 C ATOM 1383 CD LYS A 88 121.681 -1.629 4.593 1.00 0.00 C ATOM 1384 CE LYS A 88 122.057 -1.870 6.057 1.00 0.00 C ATOM 1385 NZ LYS A 88 122.777 -3.169 6.177 1.00 0.00 N ATOM 0 H LYS A 88 121.989 1.306 3.815 1.00 0.00 H new ATOM 0 HA LYS A 88 120.392 0.632 1.406 1.00 0.00 H new ATOM 0 HB2 LYS A 88 118.855 -0.730 2.989 1.00 0.00 H new ATOM 0 HB3 LYS A 88 120.336 -1.511 2.470 1.00 0.00 H new ATOM 0 HG2 LYS A 88 120.525 0.160 4.964 1.00 0.00 H new ATOM 0 HG3 LYS A 88 119.601 -1.323 5.097 1.00 0.00 H new ATOM 0 HD2 LYS A 88 121.561 -2.581 4.077 1.00 0.00 H new ATOM 0 HD3 LYS A 88 122.482 -1.091 4.086 1.00 0.00 H new ATOM 0 HE2 LYS A 88 122.687 -1.058 6.420 1.00 0.00 H new ATOM 0 HE3 LYS A 88 121.161 -1.880 6.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 123.033 -3.334 7.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 122.161 -3.939 5.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 123.640 -3.142 5.597 1.00 0.00 H new ATOM 1399 N LEU A 89 118.410 1.965 2.440 1.00 0.00 N ATOM 1400 CA LEU A 89 117.500 3.048 2.906 1.00 0.00 C ATOM 1401 C LEU A 89 116.459 2.444 3.848 1.00 0.00 C ATOM 1402 O LEU A 89 115.629 1.653 3.446 1.00 0.00 O ATOM 1403 CB LEU A 89 116.800 3.682 1.700 1.00 0.00 C ATOM 1404 CG LEU A 89 117.657 4.826 1.155 1.00 0.00 C ATOM 1405 CD1 LEU A 89 117.352 5.030 -0.331 1.00 0.00 C ATOM 1406 CD2 LEU A 89 117.337 6.113 1.920 1.00 0.00 C ATOM 0 H LEU A 89 118.057 1.407 1.663 1.00 0.00 H new ATOM 0 HA LEU A 89 118.071 3.815 3.430 1.00 0.00 H new ATOM 0 HB2 LEU A 89 116.639 2.933 0.925 1.00 0.00 H new ATOM 0 HB3 LEU A 89 115.818 4.056 1.991 1.00 0.00 H new ATOM 0 HG LEU A 89 118.711 4.580 1.280 1.00 0.00 H new ATOM 0 HD11 LEU A 89 117.963 5.845 -0.719 1.00 0.00 H new ATOM 0 HD12 LEU A 89 117.578 4.115 -0.878 1.00 0.00 H new ATOM 0 HD13 LEU A 89 116.297 5.276 -0.456 1.00 0.00 H new ATOM 0 HD21 LEU A 89 117.948 6.928 1.532 1.00 0.00 H new ATOM 0 HD22 LEU A 89 116.282 6.358 1.795 1.00 0.00 H new ATOM 0 HD23 LEU A 89 117.553 5.970 2.979 1.00 0.00 H new ATOM 1418 N ILE A 90 116.500 2.800 5.100 1.00 0.00 N ATOM 1419 CA ILE A 90 115.518 2.230 6.062 1.00 0.00 C ATOM 1420 C ILE A 90 114.197 2.988 5.990 1.00 0.00 C ATOM 1421 O ILE A 90 114.108 4.070 5.446 1.00 0.00 O ATOM 1422 CB ILE A 90 116.057 2.294 7.485 1.00 0.00 C ATOM 1423 CG1 ILE A 90 116.985 3.485 7.632 1.00 0.00 C ATOM 1424 CG2 ILE A 90 116.828 1.013 7.802 1.00 0.00 C ATOM 1425 CD1 ILE A 90 117.340 3.636 9.101 1.00 0.00 C ATOM 0 H ILE A 90 117.169 3.459 5.498 1.00 0.00 H new ATOM 0 HA ILE A 90 115.351 1.188 5.790 1.00 0.00 H new ATOM 0 HB ILE A 90 115.221 2.398 8.176 1.00 0.00 H new ATOM 0 HG12 ILE A 90 117.886 3.339 7.037 1.00 0.00 H new ATOM 0 HG13 ILE A 90 116.502 4.390 7.263 1.00 0.00 H new ATOM 0 HG21 ILE A 90 117.212 1.062 8.821 1.00 0.00 H new ATOM 0 HG22 ILE A 90 116.163 0.155 7.706 1.00 0.00 H new ATOM 0 HG23 ILE A 90 117.660 0.907 7.105 1.00 0.00 H new ATOM 0 HD11 ILE A 90 118.008 4.488 9.228 1.00 0.00 H new ATOM 0 HD12 ILE A 90 116.431 3.798 9.680 1.00 0.00 H new ATOM 0 HD13 ILE A 90 117.837 2.731 9.450 1.00 0.00 H new ATOM 1437 N GLY A 91 113.174 2.407 6.545 1.00 0.00 N ATOM 1438 CA GLY A 91 111.828 3.041 6.547 1.00 0.00 C ATOM 1439 C GLY A 91 111.113 2.651 7.838 1.00 0.00 C ATOM 1440 O GLY A 91 110.520 1.596 7.940 1.00 0.00 O ATOM 0 H GLY A 91 113.215 1.499 7.008 1.00 0.00 H new ATOM 0 HA2 GLY A 91 111.919 4.125 6.477 1.00 0.00 H new ATOM 0 HA3 GLY A 91 111.253 2.713 5.681 1.00 0.00 H new ATOM 1444 N LYS A 92 111.172 3.487 8.828 1.00 0.00 N ATOM 1445 CA LYS A 92 110.507 3.163 10.117 1.00 0.00 C ATOM 1446 C LYS A 92 109.072 3.674 10.078 1.00 0.00 C ATOM 1447 O LYS A 92 108.832 4.857 10.160 1.00 0.00 O ATOM 1448 CB LYS A 92 111.260 3.836 11.266 1.00 0.00 C ATOM 1449 CG LYS A 92 112.399 2.928 11.732 1.00 0.00 C ATOM 1450 CD LYS A 92 113.276 3.681 12.735 1.00 0.00 C ATOM 1451 CE LYS A 92 112.471 3.969 14.003 1.00 0.00 C ATOM 1452 NZ LYS A 92 111.667 5.210 13.809 1.00 0.00 N ATOM 0 H LYS A 92 111.654 4.386 8.802 1.00 0.00 H new ATOM 0 HA LYS A 92 110.509 2.084 10.271 1.00 0.00 H new ATOM 0 HB2 LYS A 92 111.657 4.797 10.940 1.00 0.00 H new ATOM 0 HB3 LYS A 92 110.579 4.036 12.093 1.00 0.00 H new ATOM 0 HG2 LYS A 92 111.994 2.026 12.192 1.00 0.00 H new ATOM 0 HG3 LYS A 92 112.997 2.609 10.878 1.00 0.00 H new ATOM 0 HD2 LYS A 92 114.158 3.089 12.979 1.00 0.00 H new ATOM 0 HD3 LYS A 92 113.629 4.614 12.296 1.00 0.00 H new ATOM 0 HE2 LYS A 92 111.814 3.129 14.229 1.00 0.00 H new ATOM 0 HE3 LYS A 92 113.142 4.087 14.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 111.804 5.843 14.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 111.976 5.691 12.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 110.660 4.962 13.728 1.00 0.00 H new ATOM 1466 N PHE A 93 108.118 2.792 9.943 1.00 0.00 N ATOM 1467 CA PHE A 93 106.695 3.230 9.888 1.00 0.00 C ATOM 1468 C PHE A 93 105.934 2.674 11.083 1.00 0.00 C ATOM 1469 O PHE A 93 106.075 1.526 11.453 1.00 0.00 O ATOM 1470 CB PHE A 93 106.054 2.723 8.590 1.00 0.00 C ATOM 1471 CG PHE A 93 106.286 3.703 7.455 1.00 0.00 C ATOM 1472 CD1 PHE A 93 106.974 4.907 7.675 1.00 0.00 C ATOM 1473 CD2 PHE A 93 105.807 3.401 6.174 1.00 0.00 C ATOM 1474 CE1 PHE A 93 107.180 5.800 6.617 1.00 0.00 C ATOM 1475 CE2 PHE A 93 106.014 4.295 5.117 1.00 0.00 C ATOM 1476 CZ PHE A 93 106.701 5.495 5.339 1.00 0.00 C ATOM 0 H PHE A 93 108.264 1.785 9.868 1.00 0.00 H new ATOM 0 HA PHE A 93 106.654 4.319 9.915 1.00 0.00 H new ATOM 0 HB2 PHE A 93 106.472 1.751 8.328 1.00 0.00 H new ATOM 0 HB3 PHE A 93 104.984 2.580 8.740 1.00 0.00 H new ATOM 0 HD1 PHE A 93 107.345 5.144 8.661 1.00 0.00 H new ATOM 0 HD2 PHE A 93 105.277 2.476 6.001 1.00 0.00 H new ATOM 0 HE1 PHE A 93 107.709 6.726 6.788 1.00 0.00 H new ATOM 0 HE2 PHE A 93 105.644 4.059 4.130 1.00 0.00 H new ATOM 0 HZ PHE A 93 106.861 6.185 4.523 1.00 0.00 H new ATOM 1486 N LYS A 94 105.121 3.494 11.682 1.00 0.00 N ATOM 1487 CA LYS A 94 104.330 3.041 12.853 1.00 0.00 C ATOM 1488 C LYS A 94 102.845 3.080 12.509 1.00 0.00 C ATOM 1489 O LYS A 94 102.290 4.124 12.229 1.00 0.00 O ATOM 1490 CB LYS A 94 104.596 3.957 14.048 1.00 0.00 C ATOM 1491 CG LYS A 94 105.868 3.509 14.772 1.00 0.00 C ATOM 1492 CD LYS A 94 107.094 4.114 14.078 1.00 0.00 C ATOM 1493 CE LYS A 94 107.155 5.621 14.348 1.00 0.00 C ATOM 1494 NZ LYS A 94 108.580 6.055 14.406 1.00 0.00 N ATOM 0 H LYS A 94 104.970 4.465 11.408 1.00 0.00 H new ATOM 0 HA LYS A 94 104.622 2.022 13.108 1.00 0.00 H new ATOM 0 HB2 LYS A 94 104.703 4.988 13.711 1.00 0.00 H new ATOM 0 HB3 LYS A 94 103.749 3.932 14.733 1.00 0.00 H new ATOM 0 HG2 LYS A 94 105.835 3.824 15.815 1.00 0.00 H new ATOM 0 HG3 LYS A 94 105.936 2.421 14.770 1.00 0.00 H new ATOM 0 HD2 LYS A 94 108.002 3.634 14.441 1.00 0.00 H new ATOM 0 HD3 LYS A 94 107.043 3.930 13.005 1.00 0.00 H new ATOM 0 HE2 LYS A 94 106.629 6.164 13.563 1.00 0.00 H new ATOM 0 HE3 LYS A 94 106.654 5.854 15.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 108.631 7.034 14.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 109.107 5.431 15.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 108.997 6.004 13.455 1.00 0.00 H new ATOM 1508 N ARG A 95 102.197 1.950 12.532 1.00 0.00 N ATOM 1509 CA ARG A 95 100.744 1.921 12.210 1.00 0.00 C ATOM 1510 C ARG A 95 100.011 2.864 13.161 1.00 0.00 C ATOM 1511 O ARG A 95 99.974 2.653 14.355 1.00 0.00 O ATOM 1512 CB ARG A 95 100.205 0.497 12.384 1.00 0.00 C ATOM 1513 CG ARG A 95 100.297 -0.255 11.053 1.00 0.00 C ATOM 1514 CD ARG A 95 99.542 -1.581 11.164 1.00 0.00 C ATOM 1515 NE ARG A 95 98.080 -1.333 11.009 1.00 0.00 N ATOM 1516 CZ ARG A 95 97.234 -2.318 11.133 1.00 0.00 C ATOM 1517 NH1 ARG A 95 95.954 -2.100 10.997 1.00 0.00 N ATOM 1518 NH2 ARG A 95 97.666 -3.522 11.389 1.00 0.00 N ATOM 0 H ARG A 95 102.610 1.046 12.760 1.00 0.00 H new ATOM 0 HA ARG A 95 100.588 2.237 11.179 1.00 0.00 H new ATOM 0 HB2 ARG A 95 100.777 -0.028 13.150 1.00 0.00 H new ATOM 0 HB3 ARG A 95 99.170 0.528 12.724 1.00 0.00 H new ATOM 0 HG2 ARG A 95 99.875 0.350 10.251 1.00 0.00 H new ATOM 0 HG3 ARG A 95 101.341 -0.439 10.798 1.00 0.00 H new ATOM 0 HD2 ARG A 95 99.888 -2.274 10.397 1.00 0.00 H new ATOM 0 HD3 ARG A 95 99.743 -2.047 12.129 1.00 0.00 H new ATOM 0 HE ARG A 95 97.741 -0.393 10.806 1.00 0.00 H new ATOM 0 HH11 ARG A 95 95.616 -1.159 10.794 1.00 0.00 H new ATOM 0 HH12 ARG A 95 95.292 -2.870 11.094 1.00 0.00 H new ATOM 0 HH21 ARG A 95 98.666 -3.694 11.492 1.00 0.00 H new ATOM 0 HH22 ARG A 95 97.004 -4.292 11.486 1.00 0.00 H new ATOM 1532 N THR A 96 99.433 3.907 12.647 1.00 0.00 N ATOM 1533 CA THR A 96 98.715 4.861 13.532 1.00 0.00 C ATOM 1534 C THR A 96 97.394 4.256 13.959 1.00 0.00 C ATOM 1535 O THR A 96 96.717 4.729 14.851 1.00 0.00 O ATOM 1536 CB THR A 96 98.465 6.156 12.769 1.00 0.00 C ATOM 1537 OG1 THR A 96 98.480 5.887 11.374 1.00 0.00 O ATOM 1538 CG2 THR A 96 99.554 7.173 13.106 1.00 0.00 C ATOM 0 H THR A 96 99.426 4.142 11.654 1.00 0.00 H new ATOM 0 HA THR A 96 99.316 5.069 14.417 1.00 0.00 H new ATOM 0 HB THR A 96 97.495 6.564 13.054 1.00 0.00 H new ATOM 0 HG1 THR A 96 98.139 4.983 11.212 1.00 0.00 H new ATOM 0 HG21 THR A 96 99.371 8.097 12.558 1.00 0.00 H new ATOM 0 HG22 THR A 96 99.542 7.377 14.177 1.00 0.00 H new ATOM 0 HG23 THR A 96 100.527 6.771 12.824 1.00 0.00 H new ATOM 1546 N ASP A 97 97.040 3.215 13.310 1.00 0.00 N ATOM 1547 CA ASP A 97 95.764 2.517 13.621 1.00 0.00 C ATOM 1548 C ASP A 97 96.008 1.430 14.670 1.00 0.00 C ATOM 1549 O ASP A 97 95.174 1.177 15.517 1.00 0.00 O ATOM 1550 CB ASP A 97 95.209 1.879 12.346 1.00 0.00 C ATOM 1551 CG ASP A 97 93.847 1.248 12.640 1.00 0.00 C ATOM 1552 OD1 ASP A 97 93.820 0.081 12.994 1.00 0.00 O ATOM 1553 OD2 ASP A 97 92.854 1.944 12.508 1.00 0.00 O ATOM 0 H ASP A 97 97.583 2.795 12.556 1.00 0.00 H new ATOM 0 HA ASP A 97 95.047 3.238 14.012 1.00 0.00 H new ATOM 0 HB2 ASP A 97 95.111 2.631 11.563 1.00 0.00 H new ATOM 0 HB3 ASP A 97 95.900 1.122 11.976 1.00 0.00 H new ATOM 1558 N ASN A 98 97.138 0.778 14.621 1.00 0.00 N ATOM 1559 CA ASN A 98 97.424 -0.295 15.613 1.00 0.00 C ATOM 1560 C ASN A 98 98.829 -0.120 16.196 1.00 0.00 C ATOM 1561 O ASN A 98 99.289 -0.935 16.971 1.00 0.00 O ATOM 1562 CB ASN A 98 97.324 -1.660 14.928 1.00 0.00 C ATOM 1563 CG ASN A 98 97.381 -2.765 15.983 1.00 0.00 C ATOM 1564 OD1 ASN A 98 97.372 -2.445 17.249 1.00 0.00 O flip ATOM 1565 ND2 ASN A 98 97.434 -3.934 15.653 1.00 0.00 N flip ATOM 0 H ASN A 98 97.875 0.943 13.936 1.00 0.00 H new ATOM 0 HA ASN A 98 96.696 -0.232 16.422 1.00 0.00 H new ATOM 0 HB2 ASN A 98 96.394 -1.729 14.364 1.00 0.00 H new ATOM 0 HB3 ASN A 98 98.139 -1.781 14.214 1.00 0.00 H new ATOM 0 HD21 ASN A 98 97.441 -4.185 14.664 1.00 0.00 H new ATOM 0 HD22 ASN A 98 97.471 -4.664 16.365 1.00 0.00 H new ATOM 1572 N GLY A 99 99.518 0.929 15.835 1.00 0.00 N ATOM 1573 CA GLY A 99 100.892 1.134 16.382 1.00 0.00 C ATOM 1574 C GLY A 99 101.646 -0.199 16.392 1.00 0.00 C ATOM 1575 O GLY A 99 102.502 -0.429 17.222 1.00 0.00 O ATOM 0 H GLY A 99 99.193 1.649 15.190 1.00 0.00 H new ATOM 0 HA2 GLY A 99 101.430 1.863 15.776 1.00 0.00 H new ATOM 0 HA3 GLY A 99 100.835 1.539 17.392 1.00 0.00 H new ATOM 1579 N ASN A 100 101.336 -1.079 15.478 1.00 0.00 N ATOM 1580 CA ASN A 100 102.041 -2.393 15.444 1.00 0.00 C ATOM 1581 C ASN A 100 103.429 -2.205 14.837 1.00 0.00 C ATOM 1582 O ASN A 100 104.066 -3.141 14.401 1.00 0.00 O ATOM 1583 CB ASN A 100 101.236 -3.386 14.600 1.00 0.00 C ATOM 1584 CG ASN A 100 100.929 -4.639 15.425 1.00 0.00 C ATOM 1585 OD1 ASN A 100 99.854 -5.331 15.163 1.00 0.00 O flip ATOM 1586 ND2 ASN A 100 101.677 -4.994 16.314 1.00 0.00 N flip ATOM 0 H ASN A 100 100.628 -0.946 14.756 1.00 0.00 H new ATOM 0 HA ASN A 100 102.138 -2.782 16.457 1.00 0.00 H new ATOM 0 HB2 ASN A 100 100.308 -2.924 14.265 1.00 0.00 H new ATOM 0 HB3 ASN A 100 101.798 -3.657 13.706 1.00 0.00 H new ATOM 0 HD21 ASN A 100 102.517 -4.454 16.519 1.00 0.00 H new ATOM 0 HD22 ASN A 100 101.465 -5.832 16.855 1.00 0.00 H new ATOM 1593 N GLU A 101 103.887 -0.991 14.822 1.00 0.00 N ATOM 1594 CA GLU A 101 105.235 -0.674 14.262 1.00 0.00 C ATOM 1595 C GLU A 101 105.470 -1.411 12.938 1.00 0.00 C ATOM 1596 O GLU A 101 104.795 -2.364 12.605 1.00 0.00 O ATOM 1597 CB GLU A 101 106.324 -1.063 15.273 1.00 0.00 C ATOM 1598 CG GLU A 101 106.459 -2.586 15.357 1.00 0.00 C ATOM 1599 CD GLU A 101 107.756 -2.941 16.085 1.00 0.00 C ATOM 1600 OE1 GLU A 101 107.759 -2.897 17.305 1.00 0.00 O ATOM 1601 OE2 GLU A 101 108.724 -3.250 15.412 1.00 0.00 O ATOM 0 H GLU A 101 103.377 -0.184 15.181 1.00 0.00 H new ATOM 0 HA GLU A 101 105.281 0.398 14.070 1.00 0.00 H new ATOM 0 HB2 GLU A 101 107.277 -0.623 14.977 1.00 0.00 H new ATOM 0 HB3 GLU A 101 106.078 -0.659 16.255 1.00 0.00 H new ATOM 0 HG2 GLU A 101 105.605 -3.009 15.885 1.00 0.00 H new ATOM 0 HG3 GLU A 101 106.461 -3.018 14.356 1.00 0.00 H new ATOM 1608 N LEU A 102 106.442 -0.970 12.186 1.00 0.00 N ATOM 1609 CA LEU A 102 106.760 -1.628 10.890 1.00 0.00 C ATOM 1610 C LEU A 102 108.203 -1.279 10.530 1.00 0.00 C ATOM 1611 O LEU A 102 108.586 -0.125 10.529 1.00 0.00 O ATOM 1612 CB LEU A 102 105.797 -1.129 9.798 1.00 0.00 C ATOM 1613 CG LEU A 102 106.505 -1.065 8.434 1.00 0.00 C ATOM 1614 CD1 LEU A 102 106.973 -2.462 8.015 1.00 0.00 C ATOM 1615 CD2 LEU A 102 105.531 -0.529 7.382 1.00 0.00 C ATOM 0 H LEU A 102 107.035 -0.173 12.419 1.00 0.00 H new ATOM 0 HA LEU A 102 106.646 -2.709 10.971 1.00 0.00 H new ATOM 0 HB2 LEU A 102 104.936 -1.794 9.735 1.00 0.00 H new ATOM 0 HB3 LEU A 102 105.419 -0.142 10.063 1.00 0.00 H new ATOM 0 HG LEU A 102 107.369 -0.406 8.515 1.00 0.00 H new ATOM 0 HD11 LEU A 102 107.473 -2.404 7.048 1.00 0.00 H new ATOM 0 HD12 LEU A 102 107.668 -2.852 8.759 1.00 0.00 H new ATOM 0 HD13 LEU A 102 106.112 -3.127 7.939 1.00 0.00 H new ATOM 0 HD21 LEU A 102 106.030 -0.483 6.414 1.00 0.00 H new ATOM 0 HD22 LEU A 102 104.668 -1.192 7.314 1.00 0.00 H new ATOM 0 HD23 LEU A 102 105.200 0.469 7.668 1.00 0.00 H new ATOM 1627 N ASN A 103 109.010 -2.257 10.230 1.00 0.00 N ATOM 1628 CA ASN A 103 110.427 -1.966 9.879 1.00 0.00 C ATOM 1629 C ASN A 103 110.673 -2.391 8.434 1.00 0.00 C ATOM 1630 O ASN A 103 110.585 -3.553 8.101 1.00 0.00 O ATOM 1631 CB ASN A 103 111.360 -2.741 10.819 1.00 0.00 C ATOM 1632 CG ASN A 103 112.325 -1.771 11.505 1.00 0.00 C ATOM 1633 OD1 ASN A 103 112.892 -0.907 10.866 1.00 0.00 O ATOM 1634 ND2 ASN A 103 112.536 -1.878 12.788 1.00 0.00 N ATOM 0 H ASN A 103 108.751 -3.243 10.213 1.00 0.00 H new ATOM 0 HA ASN A 103 110.626 -0.900 9.986 1.00 0.00 H new ATOM 0 HB2 ASN A 103 110.775 -3.277 11.567 1.00 0.00 H new ATOM 0 HB3 ASN A 103 111.919 -3.488 10.256 1.00 0.00 H new ATOM 0 HD21 ASN A 103 113.177 -1.236 13.255 1.00 0.00 H new ATOM 0 HD22 ASN A 103 112.060 -2.603 13.324 1.00 0.00 H new ATOM 1641 N THR A 104 110.961 -1.458 7.570 1.00 0.00 N ATOM 1642 CA THR A 104 111.183 -1.820 6.146 1.00 0.00 C ATOM 1643 C THR A 104 112.520 -1.275 5.647 1.00 0.00 C ATOM 1644 O THR A 104 113.227 -0.574 6.345 1.00 0.00 O ATOM 1645 CB THR A 104 110.059 -1.220 5.303 1.00 0.00 C ATOM 1646 OG1 THR A 104 110.383 -1.346 3.924 1.00 0.00 O ATOM 1647 CG2 THR A 104 109.900 0.258 5.661 1.00 0.00 C ATOM 0 H THR A 104 111.052 -0.466 7.788 1.00 0.00 H new ATOM 0 HA THR A 104 111.194 -2.906 6.059 1.00 0.00 H new ATOM 0 HB THR A 104 109.126 -1.747 5.502 1.00 0.00 H new ATOM 0 HG1 THR A 104 110.326 -2.288 3.659 1.00 0.00 H new ATOM 0 HG21 THR A 104 109.099 0.693 5.063 1.00 0.00 H new ATOM 0 HG22 THR A 104 109.655 0.352 6.719 1.00 0.00 H new ATOM 0 HG23 THR A 104 110.832 0.784 5.457 1.00 0.00 H new ATOM 1655 N VAL A 105 112.856 -1.594 4.426 1.00 0.00 N ATOM 1656 CA VAL A 105 114.132 -1.110 3.836 1.00 0.00 C ATOM 1657 C VAL A 105 113.933 -0.908 2.332 1.00 0.00 C ATOM 1658 O VAL A 105 113.055 -1.494 1.731 1.00 0.00 O ATOM 1659 CB VAL A 105 115.233 -2.145 4.073 1.00 0.00 C ATOM 1660 CG1 VAL A 105 116.558 -1.616 3.526 1.00 0.00 C ATOM 1661 CG2 VAL A 105 115.370 -2.408 5.574 1.00 0.00 C ATOM 0 H VAL A 105 112.292 -2.176 3.807 1.00 0.00 H new ATOM 0 HA VAL A 105 114.422 -0.169 4.302 1.00 0.00 H new ATOM 0 HB VAL A 105 114.975 -3.073 3.563 1.00 0.00 H new ATOM 0 HG11 VAL A 105 117.342 -2.354 3.695 1.00 0.00 H new ATOM 0 HG12 VAL A 105 116.461 -1.428 2.457 1.00 0.00 H new ATOM 0 HG13 VAL A 105 116.817 -0.688 4.035 1.00 0.00 H new ATOM 0 HG21 VAL A 105 116.154 -3.146 5.744 1.00 0.00 H new ATOM 0 HG22 VAL A 105 115.628 -1.480 6.084 1.00 0.00 H new ATOM 0 HG23 VAL A 105 114.425 -2.786 5.965 1.00 0.00 H new ATOM 1671 N ARG A 106 114.734 -0.080 1.717 1.00 0.00 N ATOM 1672 CA ARG A 106 114.579 0.159 0.253 1.00 0.00 C ATOM 1673 C ARG A 106 115.940 0.039 -0.435 1.00 0.00 C ATOM 1674 O ARG A 106 116.930 0.575 0.025 1.00 0.00 O ATOM 1675 CB ARG A 106 114.012 1.564 0.028 1.00 0.00 C ATOM 1676 CG ARG A 106 114.249 1.989 -1.423 1.00 0.00 C ATOM 1677 CD ARG A 106 113.359 3.188 -1.756 1.00 0.00 C ATOM 1678 NE ARG A 106 113.159 4.015 -0.532 1.00 0.00 N ATOM 1679 CZ ARG A 106 112.115 4.791 -0.434 1.00 0.00 C ATOM 1680 NH1 ARG A 106 111.938 5.514 0.638 1.00 0.00 N ATOM 1681 NH2 ARG A 106 111.247 4.844 -1.406 1.00 0.00 N ATOM 0 H ARG A 106 115.488 0.441 2.165 1.00 0.00 H new ATOM 0 HA ARG A 106 113.899 -0.582 -0.167 1.00 0.00 H new ATOM 0 HB2 ARG A 106 112.945 1.576 0.251 1.00 0.00 H new ATOM 0 HB3 ARG A 106 114.488 2.272 0.707 1.00 0.00 H new ATOM 0 HG2 ARG A 106 115.297 2.249 -1.570 1.00 0.00 H new ATOM 0 HG3 ARG A 106 114.028 1.161 -2.096 1.00 0.00 H new ATOM 0 HD2 ARG A 106 113.818 3.788 -2.542 1.00 0.00 H new ATOM 0 HD3 ARG A 106 112.397 2.845 -2.137 1.00 0.00 H new ATOM 0 HE ARG A 106 113.838 3.974 0.228 1.00 0.00 H new ATOM 0 HH11 ARG A 106 112.616 5.472 1.399 1.00 0.00 H new ATOM 0 HH12 ARG A 106 111.122 6.121 0.715 1.00 0.00 H new ATOM 0 HH21 ARG A 106 111.384 4.278 -2.244 1.00 0.00 H new ATOM 0 HH22 ARG A 106 110.431 5.451 -1.328 1.00 0.00 H new ATOM 1695 N GLU A 107 115.998 -0.660 -1.538 1.00 0.00 N ATOM 1696 CA GLU A 107 117.293 -0.811 -2.259 1.00 0.00 C ATOM 1697 C GLU A 107 117.029 -0.775 -3.765 1.00 0.00 C ATOM 1698 O GLU A 107 115.931 -1.032 -4.215 1.00 0.00 O ATOM 1699 CB GLU A 107 117.939 -2.145 -1.881 1.00 0.00 C ATOM 1700 CG GLU A 107 118.536 -2.043 -0.476 1.00 0.00 C ATOM 1701 CD GLU A 107 119.428 -3.258 -0.211 1.00 0.00 C ATOM 1702 OE1 GLU A 107 120.627 -3.140 -0.399 1.00 0.00 O ATOM 1703 OE2 GLU A 107 118.895 -4.285 0.176 1.00 0.00 O ATOM 0 H GLU A 107 115.204 -1.132 -1.970 1.00 0.00 H new ATOM 0 HA GLU A 107 117.966 0.001 -1.983 1.00 0.00 H new ATOM 0 HB2 GLU A 107 117.197 -2.943 -1.915 1.00 0.00 H new ATOM 0 HB3 GLU A 107 118.717 -2.401 -2.600 1.00 0.00 H new ATOM 0 HG2 GLU A 107 119.116 -1.125 -0.382 1.00 0.00 H new ATOM 0 HG3 GLU A 107 117.739 -1.994 0.266 1.00 0.00 H new ATOM 1710 N ILE A 108 118.022 -0.456 -4.551 1.00 0.00 N ATOM 1711 CA ILE A 108 117.827 -0.404 -6.012 1.00 0.00 C ATOM 1712 C ILE A 108 118.882 -1.278 -6.665 1.00 0.00 C ATOM 1713 O ILE A 108 119.923 -0.816 -7.090 1.00 0.00 O ATOM 1714 CB ILE A 108 117.976 1.034 -6.482 1.00 0.00 C ATOM 1715 CG1 ILE A 108 117.465 1.975 -5.384 1.00 0.00 C ATOM 1716 CG2 ILE A 108 117.157 1.215 -7.751 1.00 0.00 C ATOM 1717 CD1 ILE A 108 116.927 3.261 -6.009 1.00 0.00 C ATOM 0 H ILE A 108 118.964 -0.229 -4.232 1.00 0.00 H new ATOM 0 HA ILE A 108 116.834 -0.763 -6.282 1.00 0.00 H new ATOM 0 HB ILE A 108 119.021 1.264 -6.688 1.00 0.00 H new ATOM 0 HG12 ILE A 108 116.680 1.484 -4.809 1.00 0.00 H new ATOM 0 HG13 ILE A 108 118.271 2.208 -4.689 1.00 0.00 H new ATOM 0 HG21 ILE A 108 117.253 2.242 -8.102 1.00 0.00 H new ATOM 0 HG22 ILE A 108 117.521 0.533 -8.520 1.00 0.00 H new ATOM 0 HG23 ILE A 108 116.109 0.999 -7.542 1.00 0.00 H new ATOM 0 HD11 ILE A 108 116.566 3.924 -5.223 1.00 0.00 H new ATOM 0 HD12 ILE A 108 117.723 3.756 -6.564 1.00 0.00 H new ATOM 0 HD13 ILE A 108 116.107 3.021 -6.686 1.00 0.00 H new ATOM 1729 N ILE A 109 118.623 -2.544 -6.730 1.00 0.00 N ATOM 1730 CA ILE A 109 119.611 -3.469 -7.337 1.00 0.00 C ATOM 1731 C ILE A 109 119.773 -3.135 -8.816 1.00 0.00 C ATOM 1732 O ILE A 109 119.060 -3.634 -9.664 1.00 0.00 O ATOM 1733 CB ILE A 109 119.125 -4.912 -7.182 1.00 0.00 C ATOM 1734 CG1 ILE A 109 119.126 -5.296 -5.698 1.00 0.00 C ATOM 1735 CG2 ILE A 109 120.049 -5.851 -7.961 1.00 0.00 C ATOM 1736 CD1 ILE A 109 120.520 -5.776 -5.281 1.00 0.00 C ATOM 0 H ILE A 109 117.768 -2.983 -6.389 1.00 0.00 H new ATOM 0 HA ILE A 109 120.572 -3.359 -6.834 1.00 0.00 H new ATOM 0 HB ILE A 109 118.112 -4.999 -7.575 1.00 0.00 H new ATOM 0 HG12 ILE A 109 118.831 -4.439 -5.092 1.00 0.00 H new ATOM 0 HG13 ILE A 109 118.393 -6.082 -5.517 1.00 0.00 H new ATOM 0 HG21 ILE A 109 119.702 -6.878 -7.850 1.00 0.00 H new ATOM 0 HG22 ILE A 109 120.040 -5.577 -9.016 1.00 0.00 H new ATOM 0 HG23 ILE A 109 121.064 -5.767 -7.573 1.00 0.00 H new ATOM 0 HD11 ILE A 109 120.511 -6.047 -4.225 1.00 0.00 H new ATOM 0 HD12 ILE A 109 120.798 -6.646 -5.876 1.00 0.00 H new ATOM 0 HD13 ILE A 109 121.244 -4.978 -5.445 1.00 0.00 H new ATOM 1748 N GLY A 110 120.720 -2.300 -9.128 1.00 0.00 N ATOM 1749 CA GLY A 110 120.956 -1.929 -10.552 1.00 0.00 C ATOM 1750 C GLY A 110 119.669 -1.381 -11.177 1.00 0.00 C ATOM 1751 O GLY A 110 119.492 -0.185 -11.299 1.00 0.00 O ATOM 0 H GLY A 110 121.345 -1.855 -8.456 1.00 0.00 H new ATOM 0 HA2 GLY A 110 121.746 -1.181 -10.614 1.00 0.00 H new ATOM 0 HA3 GLY A 110 121.298 -2.800 -11.111 1.00 0.00 H new ATOM 1755 N ASP A 111 118.776 -2.244 -11.589 1.00 0.00 N ATOM 1756 CA ASP A 111 117.512 -1.767 -12.220 1.00 0.00 C ATOM 1757 C ASP A 111 116.304 -2.416 -11.542 1.00 0.00 C ATOM 1758 O ASP A 111 115.268 -2.608 -12.147 1.00 0.00 O ATOM 1759 CB ASP A 111 117.520 -2.128 -13.708 1.00 0.00 C ATOM 1760 CG ASP A 111 118.171 -0.996 -14.507 1.00 0.00 C ATOM 1761 OD1 ASP A 111 117.508 -0.453 -15.375 1.00 0.00 O ATOM 1762 OD2 ASP A 111 119.320 -0.693 -14.236 1.00 0.00 O ATOM 0 H ASP A 111 118.869 -3.257 -11.515 1.00 0.00 H new ATOM 0 HA ASP A 111 117.442 -0.685 -12.104 1.00 0.00 H new ATOM 0 HB2 ASP A 111 118.067 -3.058 -13.864 1.00 0.00 H new ATOM 0 HB3 ASP A 111 116.501 -2.295 -14.058 1.00 0.00 H new ATOM 1767 N GLU A 112 116.426 -2.749 -10.290 1.00 0.00 N ATOM 1768 CA GLU A 112 115.288 -3.377 -9.565 1.00 0.00 C ATOM 1769 C GLU A 112 115.111 -2.680 -8.212 1.00 0.00 C ATOM 1770 O GLU A 112 116.061 -2.504 -7.477 1.00 0.00 O ATOM 1771 CB GLU A 112 115.583 -4.863 -9.346 1.00 0.00 C ATOM 1772 CG GLU A 112 115.106 -5.663 -10.559 1.00 0.00 C ATOM 1773 CD GLU A 112 115.273 -7.159 -10.282 1.00 0.00 C ATOM 1774 OE1 GLU A 112 116.400 -7.625 -10.315 1.00 0.00 O ATOM 1775 OE2 GLU A 112 114.271 -7.812 -10.041 1.00 0.00 O ATOM 0 H GLU A 112 117.270 -2.613 -9.734 1.00 0.00 H new ATOM 0 HA GLU A 112 114.374 -3.275 -10.150 1.00 0.00 H new ATOM 0 HB2 GLU A 112 116.652 -5.014 -9.195 1.00 0.00 H new ATOM 0 HB3 GLU A 112 115.081 -5.215 -8.445 1.00 0.00 H new ATOM 0 HG2 GLU A 112 114.061 -5.436 -10.770 1.00 0.00 H new ATOM 0 HG3 GLU A 112 115.678 -5.380 -11.443 1.00 0.00 H new ATOM 1782 N LEU A 113 113.910 -2.282 -7.868 1.00 0.00 N ATOM 1783 CA LEU A 113 113.715 -1.604 -6.554 1.00 0.00 C ATOM 1784 C LEU A 113 113.269 -2.644 -5.536 1.00 0.00 C ATOM 1785 O LEU A 113 112.188 -3.184 -5.625 1.00 0.00 O ATOM 1786 CB LEU A 113 112.644 -0.514 -6.682 1.00 0.00 C ATOM 1787 CG LEU A 113 112.963 0.647 -5.735 1.00 0.00 C ATOM 1788 CD1 LEU A 113 112.421 1.950 -6.325 1.00 0.00 C ATOM 1789 CD2 LEU A 113 112.302 0.393 -4.379 1.00 0.00 C ATOM 0 H LEU A 113 113.069 -2.396 -8.433 1.00 0.00 H new ATOM 0 HA LEU A 113 114.648 -1.141 -6.233 1.00 0.00 H new ATOM 0 HB2 LEU A 113 112.600 -0.154 -7.710 1.00 0.00 H new ATOM 0 HB3 LEU A 113 111.663 -0.927 -6.447 1.00 0.00 H new ATOM 0 HG LEU A 113 114.043 0.725 -5.607 1.00 0.00 H new ATOM 0 HD11 LEU A 113 112.648 2.776 -5.651 1.00 0.00 H new ATOM 0 HD12 LEU A 113 112.887 2.133 -7.293 1.00 0.00 H new ATOM 0 HD13 LEU A 113 111.341 1.871 -6.451 1.00 0.00 H new ATOM 0 HD21 LEU A 113 112.528 1.218 -3.704 1.00 0.00 H new ATOM 0 HD22 LEU A 113 111.223 0.316 -4.509 1.00 0.00 H new ATOM 0 HD23 LEU A 113 112.684 -0.536 -3.956 1.00 0.00 H new ATOM 1801 N VAL A 114 114.091 -2.940 -4.574 1.00 0.00 N ATOM 1802 CA VAL A 114 113.698 -3.966 -3.574 1.00 0.00 C ATOM 1803 C VAL A 114 113.221 -3.287 -2.293 1.00 0.00 C ATOM 1804 O VAL A 114 114.002 -2.754 -1.531 1.00 0.00 O ATOM 1805 CB VAL A 114 114.896 -4.864 -3.260 1.00 0.00 C ATOM 1806 CG1 VAL A 114 114.433 -6.059 -2.426 1.00 0.00 C ATOM 1807 CG2 VAL A 114 115.514 -5.367 -4.567 1.00 0.00 C ATOM 0 H VAL A 114 115.011 -2.521 -4.436 1.00 0.00 H new ATOM 0 HA VAL A 114 112.888 -4.570 -3.983 1.00 0.00 H new ATOM 0 HB VAL A 114 115.639 -4.295 -2.701 1.00 0.00 H new ATOM 0 HG11 VAL A 114 115.286 -6.699 -2.202 1.00 0.00 H new ATOM 0 HG12 VAL A 114 113.992 -5.704 -1.495 1.00 0.00 H new ATOM 0 HG13 VAL A 114 113.690 -6.627 -2.986 1.00 0.00 H new ATOM 0 HG21 VAL A 114 116.368 -6.007 -4.343 1.00 0.00 H new ATOM 0 HG22 VAL A 114 114.771 -5.936 -5.126 1.00 0.00 H new ATOM 0 HG23 VAL A 114 115.844 -4.517 -5.164 1.00 0.00 H new ATOM 1817 N GLN A 115 111.944 -3.323 -2.044 1.00 0.00 N ATOM 1818 CA GLN A 115 111.408 -2.703 -0.805 1.00 0.00 C ATOM 1819 C GLN A 115 111.006 -3.826 0.146 1.00 0.00 C ATOM 1820 O GLN A 115 110.021 -4.505 -0.068 1.00 0.00 O ATOM 1821 CB GLN A 115 110.184 -1.847 -1.143 1.00 0.00 C ATOM 1822 CG GLN A 115 110.624 -0.408 -1.419 1.00 0.00 C ATOM 1823 CD GLN A 115 109.545 0.310 -2.231 1.00 0.00 C ATOM 1824 OE1 GLN A 115 108.452 -0.195 -2.392 1.00 0.00 O ATOM 1825 NE2 GLN A 115 109.808 1.476 -2.755 1.00 0.00 N ATOM 0 H GLN A 115 111.246 -3.757 -2.648 1.00 0.00 H new ATOM 0 HA GLN A 115 112.161 -2.065 -0.342 1.00 0.00 H new ATOM 0 HB2 GLN A 115 109.672 -2.255 -2.015 1.00 0.00 H new ATOM 0 HB3 GLN A 115 109.473 -1.868 -0.317 1.00 0.00 H new ATOM 0 HG2 GLN A 115 110.796 0.117 -0.479 1.00 0.00 H new ATOM 0 HG3 GLN A 115 111.568 -0.404 -1.965 1.00 0.00 H new ATOM 0 HE21 GLN A 115 110.726 1.900 -2.620 1.00 0.00 H new ATOM 0 HE22 GLN A 115 109.096 1.963 -3.299 1.00 0.00 H new ATOM 1834 N THR A 116 111.766 -4.049 1.178 1.00 0.00 N ATOM 1835 CA THR A 116 111.423 -5.150 2.118 1.00 0.00 C ATOM 1836 C THR A 116 110.791 -4.583 3.382 1.00 0.00 C ATOM 1837 O THR A 116 111.146 -3.520 3.848 1.00 0.00 O ATOM 1838 CB THR A 116 112.689 -5.920 2.495 1.00 0.00 C ATOM 1839 OG1 THR A 116 113.614 -5.870 1.418 1.00 0.00 O ATOM 1840 CG2 THR A 116 112.334 -7.376 2.802 1.00 0.00 C ATOM 0 H THR A 116 112.606 -3.520 1.412 1.00 0.00 H new ATOM 0 HA THR A 116 110.715 -5.819 1.629 1.00 0.00 H new ATOM 0 HB THR A 116 113.138 -5.466 3.378 1.00 0.00 H new ATOM 0 HG1 THR A 116 114.426 -6.362 1.661 1.00 0.00 H new ATOM 0 HG21 THR A 116 113.238 -7.922 3.070 1.00 0.00 H new ATOM 0 HG22 THR A 116 111.629 -7.411 3.632 1.00 0.00 H new ATOM 0 HG23 THR A 116 111.881 -7.833 1.922 1.00 0.00 H new ATOM 1848 N TYR A 117 109.870 -5.301 3.950 1.00 0.00 N ATOM 1849 CA TYR A 117 109.221 -4.825 5.204 1.00 0.00 C ATOM 1850 C TYR A 117 109.367 -5.881 6.281 1.00 0.00 C ATOM 1851 O TYR A 117 109.486 -7.055 6.013 1.00 0.00 O ATOM 1852 CB TYR A 117 107.729 -4.566 5.001 1.00 0.00 C ATOM 1853 CG TYR A 117 107.510 -3.861 3.701 1.00 0.00 C ATOM 1854 CD1 TYR A 117 107.806 -4.527 2.523 1.00 0.00 C ATOM 1855 CD2 TYR A 117 107.009 -2.557 3.674 1.00 0.00 C ATOM 1856 CE1 TYR A 117 107.604 -3.893 1.293 1.00 0.00 C ATOM 1857 CE2 TYR A 117 106.804 -1.916 2.448 1.00 0.00 C ATOM 1858 CZ TYR A 117 107.102 -2.584 1.254 1.00 0.00 C ATOM 1859 OH TYR A 117 106.901 -1.957 0.042 1.00 0.00 O ATOM 0 H TYR A 117 109.535 -6.200 3.602 1.00 0.00 H new ATOM 0 HA TYR A 117 109.710 -3.895 5.494 1.00 0.00 H new ATOM 0 HB2 TYR A 117 107.182 -5.509 5.011 1.00 0.00 H new ATOM 0 HB3 TYR A 117 107.340 -3.964 5.822 1.00 0.00 H new ATOM 0 HD1 TYR A 117 108.192 -5.535 2.554 1.00 0.00 H new ATOM 0 HD2 TYR A 117 106.781 -2.045 4.597 1.00 0.00 H new ATOM 0 HE1 TYR A 117 107.834 -4.411 0.374 1.00 0.00 H new ATOM 0 HE2 TYR A 117 106.417 -0.908 2.422 1.00 0.00 H new ATOM 0 HH TYR A 117 106.548 -1.056 0.195 1.00 0.00 H new ATOM 1869 N VAL A 118 109.317 -5.454 7.495 1.00 0.00 N ATOM 1870 CA VAL A 118 109.406 -6.400 8.641 1.00 0.00 C ATOM 1871 C VAL A 118 108.191 -6.189 9.512 1.00 0.00 C ATOM 1872 O VAL A 118 107.674 -5.094 9.626 1.00 0.00 O ATOM 1873 CB VAL A 118 110.646 -6.136 9.488 1.00 0.00 C ATOM 1874 CG1 VAL A 118 110.850 -7.299 10.463 1.00 0.00 C ATOM 1875 CG2 VAL A 118 111.874 -5.995 8.592 1.00 0.00 C ATOM 0 H VAL A 118 109.217 -4.473 7.757 1.00 0.00 H new ATOM 0 HA VAL A 118 109.461 -7.417 8.252 1.00 0.00 H new ATOM 0 HB VAL A 118 110.509 -5.209 10.046 1.00 0.00 H new ATOM 0 HG11 VAL A 118 111.736 -7.114 11.070 1.00 0.00 H new ATOM 0 HG12 VAL A 118 109.978 -7.388 11.111 1.00 0.00 H new ATOM 0 HG13 VAL A 118 110.981 -8.225 9.903 1.00 0.00 H new ATOM 0 HG21 VAL A 118 112.754 -5.807 9.207 1.00 0.00 H new ATOM 0 HG22 VAL A 118 112.018 -6.915 8.025 1.00 0.00 H new ATOM 0 HG23 VAL A 118 111.728 -5.163 7.903 1.00 0.00 H new ATOM 1885 N TYR A 119 107.728 -7.220 10.126 1.00 0.00 N ATOM 1886 CA TYR A 119 106.533 -7.065 10.987 1.00 0.00 C ATOM 1887 C TYR A 119 106.603 -8.000 12.195 1.00 0.00 C ATOM 1888 O TYR A 119 106.483 -9.204 12.083 1.00 0.00 O ATOM 1889 CB TYR A 119 105.281 -7.367 10.165 1.00 0.00 C ATOM 1890 CG TYR A 119 104.191 -6.396 10.540 1.00 0.00 C ATOM 1891 CD1 TYR A 119 103.444 -6.618 11.694 1.00 0.00 C ATOM 1892 CD2 TYR A 119 103.924 -5.286 9.731 1.00 0.00 C ATOM 1893 CE1 TYR A 119 102.420 -5.731 12.047 1.00 0.00 C ATOM 1894 CE2 TYR A 119 102.904 -4.394 10.083 1.00 0.00 C ATOM 1895 CZ TYR A 119 102.151 -4.617 11.240 1.00 0.00 C ATOM 1896 OH TYR A 119 101.142 -3.742 11.585 1.00 0.00 O ATOM 0 H TYR A 119 108.117 -8.161 10.075 1.00 0.00 H new ATOM 0 HA TYR A 119 106.496 -6.040 11.356 1.00 0.00 H new ATOM 0 HB2 TYR A 119 105.503 -7.288 9.101 1.00 0.00 H new ATOM 0 HB3 TYR A 119 104.951 -8.390 10.347 1.00 0.00 H new ATOM 0 HD1 TYR A 119 103.655 -7.475 12.317 1.00 0.00 H new ATOM 0 HD2 TYR A 119 104.504 -5.118 8.836 1.00 0.00 H new ATOM 0 HE1 TYR A 119 101.838 -5.905 12.940 1.00 0.00 H new ATOM 0 HE2 TYR A 119 102.699 -3.535 9.462 1.00 0.00 H new ATOM 0 HH TYR A 119 100.479 -4.208 12.137 1.00 0.00 H new ATOM 1906 N GLU A 120 106.780 -7.428 13.350 1.00 0.00 N ATOM 1907 CA GLU A 120 106.839 -8.225 14.610 1.00 0.00 C ATOM 1908 C GLU A 120 107.772 -9.419 14.461 1.00 0.00 C ATOM 1909 O GLU A 120 107.711 -10.365 15.221 1.00 0.00 O ATOM 1910 CB GLU A 120 105.435 -8.715 14.971 1.00 0.00 C ATOM 1911 CG GLU A 120 104.672 -7.599 15.688 1.00 0.00 C ATOM 1912 CD GLU A 120 105.227 -7.430 17.103 1.00 0.00 C ATOM 1913 OE1 GLU A 120 105.416 -8.435 17.769 1.00 0.00 O ATOM 1914 OE2 GLU A 120 105.454 -6.298 17.498 1.00 0.00 O ATOM 0 H GLU A 120 106.889 -6.422 13.479 1.00 0.00 H new ATOM 0 HA GLU A 120 107.225 -7.585 15.403 1.00 0.00 H new ATOM 0 HB2 GLU A 120 104.900 -9.014 14.070 1.00 0.00 H new ATOM 0 HB3 GLU A 120 105.499 -9.595 15.611 1.00 0.00 H new ATOM 0 HG2 GLU A 120 104.767 -6.665 15.134 1.00 0.00 H new ATOM 0 HG3 GLU A 120 103.609 -7.838 15.729 1.00 0.00 H new ATOM 1921 N GLY A 121 108.640 -9.382 13.501 1.00 0.00 N ATOM 1922 CA GLY A 121 109.586 -10.515 13.314 1.00 0.00 C ATOM 1923 C GLY A 121 109.257 -11.231 12.015 1.00 0.00 C ATOM 1924 O GLY A 121 109.511 -12.409 11.856 1.00 0.00 O ATOM 0 H GLY A 121 108.740 -8.617 12.834 1.00 0.00 H new ATOM 0 HA2 GLY A 121 110.612 -10.148 13.291 1.00 0.00 H new ATOM 0 HA3 GLY A 121 109.514 -11.207 14.153 1.00 0.00 H new ATOM 1928 N VAL A 122 108.711 -10.519 11.071 1.00 0.00 N ATOM 1929 CA VAL A 122 108.385 -11.135 9.772 1.00 0.00 C ATOM 1930 C VAL A 122 109.094 -10.335 8.712 1.00 0.00 C ATOM 1931 O VAL A 122 109.738 -9.348 9.001 1.00 0.00 O ATOM 1932 CB VAL A 122 106.880 -11.109 9.521 1.00 0.00 C ATOM 1933 CG1 VAL A 122 106.495 -9.867 8.718 1.00 0.00 C ATOM 1934 CG2 VAL A 122 106.476 -12.364 8.752 1.00 0.00 C ATOM 0 H VAL A 122 108.478 -9.529 11.151 1.00 0.00 H new ATOM 0 HA VAL A 122 108.702 -12.178 9.758 1.00 0.00 H new ATOM 0 HB VAL A 122 106.360 -11.080 10.479 1.00 0.00 H new ATOM 0 HG11 VAL A 122 105.418 -9.863 8.547 1.00 0.00 H new ATOM 0 HG12 VAL A 122 106.777 -8.973 9.273 1.00 0.00 H new ATOM 0 HG13 VAL A 122 107.014 -9.878 7.760 1.00 0.00 H new ATOM 0 HG21 VAL A 122 105.401 -12.349 8.571 1.00 0.00 H new ATOM 0 HG22 VAL A 122 107.004 -12.393 7.799 1.00 0.00 H new ATOM 0 HG23 VAL A 122 106.733 -13.247 9.336 1.00 0.00 H new ATOM 1944 N GLU A 123 108.995 -10.738 7.497 1.00 0.00 N ATOM 1945 CA GLU A 123 109.690 -9.964 6.444 1.00 0.00 C ATOM 1946 C GLU A 123 109.031 -10.168 5.077 1.00 0.00 C ATOM 1947 O GLU A 123 108.893 -11.277 4.599 1.00 0.00 O ATOM 1948 CB GLU A 123 111.158 -10.409 6.373 1.00 0.00 C ATOM 1949 CG GLU A 123 112.047 -9.382 7.082 1.00 0.00 C ATOM 1950 CD GLU A 123 113.517 -9.737 6.853 1.00 0.00 C ATOM 1951 OE1 GLU A 123 114.343 -8.844 6.947 1.00 0.00 O ATOM 1952 OE2 GLU A 123 113.792 -10.895 6.586 1.00 0.00 O ATOM 0 H GLU A 123 108.474 -11.556 7.181 1.00 0.00 H new ATOM 0 HA GLU A 123 109.627 -8.906 6.699 1.00 0.00 H new ATOM 0 HB2 GLU A 123 111.274 -11.387 6.839 1.00 0.00 H new ATOM 0 HB3 GLU A 123 111.466 -10.513 5.333 1.00 0.00 H new ATOM 0 HG2 GLU A 123 111.840 -8.382 6.702 1.00 0.00 H new ATOM 0 HG3 GLU A 123 111.827 -9.369 8.149 1.00 0.00 H new ATOM 1959 N ALA A 124 108.653 -9.096 4.435 1.00 0.00 N ATOM 1960 CA ALA A 124 108.038 -9.202 3.083 1.00 0.00 C ATOM 1961 C ALA A 124 108.973 -8.518 2.087 1.00 0.00 C ATOM 1962 O ALA A 124 109.677 -7.594 2.437 1.00 0.00 O ATOM 1963 CB ALA A 124 106.672 -8.509 3.074 1.00 0.00 C ATOM 0 H ALA A 124 108.745 -8.145 4.793 1.00 0.00 H new ATOM 0 HA ALA A 124 107.894 -10.248 2.814 1.00 0.00 H new ATOM 0 HB1 ALA A 124 106.229 -8.591 2.082 1.00 0.00 H new ATOM 0 HB2 ALA A 124 106.018 -8.985 3.804 1.00 0.00 H new ATOM 0 HB3 ALA A 124 106.796 -7.457 3.330 1.00 0.00 H new ATOM 1969 N LYS A 125 109.008 -8.960 0.858 1.00 0.00 N ATOM 1970 CA LYS A 125 109.925 -8.315 -0.122 1.00 0.00 C ATOM 1971 C LYS A 125 109.171 -7.936 -1.393 1.00 0.00 C ATOM 1972 O LYS A 125 108.352 -8.679 -1.894 1.00 0.00 O ATOM 1973 CB LYS A 125 111.058 -9.279 -0.475 1.00 0.00 C ATOM 1974 CG LYS A 125 112.181 -8.519 -1.192 1.00 0.00 C ATOM 1975 CD LYS A 125 113.529 -9.183 -0.894 1.00 0.00 C ATOM 1976 CE LYS A 125 113.632 -10.509 -1.652 1.00 0.00 C ATOM 1977 NZ LYS A 125 114.301 -10.280 -2.964 1.00 0.00 N ATOM 0 H LYS A 125 108.448 -9.731 0.495 1.00 0.00 H new ATOM 0 HA LYS A 125 110.334 -7.411 0.328 1.00 0.00 H new ATOM 0 HB2 LYS A 125 111.444 -9.748 0.430 1.00 0.00 H new ATOM 0 HB3 LYS A 125 110.682 -10.079 -1.113 1.00 0.00 H new ATOM 0 HG2 LYS A 125 111.999 -8.511 -2.267 1.00 0.00 H new ATOM 0 HG3 LYS A 125 112.197 -7.480 -0.864 1.00 0.00 H new ATOM 0 HD2 LYS A 125 114.344 -8.521 -1.188 1.00 0.00 H new ATOM 0 HD3 LYS A 125 113.630 -9.357 0.177 1.00 0.00 H new ATOM 0 HE2 LYS A 125 114.197 -11.233 -1.065 1.00 0.00 H new ATOM 0 HE3 LYS A 125 112.639 -10.930 -1.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 114.177 -11.118 -3.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 113.878 -9.452 -3.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 115.316 -10.110 -2.811 1.00 0.00 H new ATOM 1991 N ARG A 126 109.458 -6.779 -1.919 1.00 0.00 N ATOM 1992 CA ARG A 126 108.782 -6.329 -3.169 1.00 0.00 C ATOM 1993 C ARG A 126 109.842 -5.801 -4.142 1.00 0.00 C ATOM 1994 O ARG A 126 110.506 -4.819 -3.874 1.00 0.00 O ATOM 1995 CB ARG A 126 107.780 -5.218 -2.832 1.00 0.00 C ATOM 1996 CG ARG A 126 106.399 -5.581 -3.384 1.00 0.00 C ATOM 1997 CD ARG A 126 105.413 -4.452 -3.081 1.00 0.00 C ATOM 1998 NE ARG A 126 104.970 -4.549 -1.662 1.00 0.00 N ATOM 1999 CZ ARG A 126 104.499 -3.495 -1.051 1.00 0.00 C ATOM 2000 NH1 ARG A 126 104.111 -3.582 0.192 1.00 0.00 N ATOM 2001 NH2 ARG A 126 104.418 -2.357 -1.683 1.00 0.00 N ATOM 0 H ARG A 126 110.136 -6.121 -1.535 1.00 0.00 H new ATOM 0 HA ARG A 126 108.249 -7.161 -3.628 1.00 0.00 H new ATOM 0 HB2 ARG A 126 107.725 -5.080 -1.752 1.00 0.00 H new ATOM 0 HB3 ARG A 126 108.115 -4.272 -3.258 1.00 0.00 H new ATOM 0 HG2 ARG A 126 106.458 -5.747 -4.460 1.00 0.00 H new ATOM 0 HG3 ARG A 126 106.050 -6.512 -2.937 1.00 0.00 H new ATOM 0 HD2 ARG A 126 105.883 -3.485 -3.261 1.00 0.00 H new ATOM 0 HD3 ARG A 126 104.553 -4.517 -3.747 1.00 0.00 H new ATOM 0 HE ARG A 126 105.035 -5.439 -1.167 1.00 0.00 H new ATOM 0 HH11 ARG A 126 104.176 -4.472 0.685 1.00 0.00 H new ATOM 0 HH12 ARG A 126 103.743 -2.760 0.670 1.00 0.00 H new ATOM 0 HH21 ARG A 126 104.722 -2.290 -2.654 1.00 0.00 H new ATOM 0 HH22 ARG A 126 104.050 -1.534 -1.206 1.00 0.00 H new ATOM 2015 N ILE A 127 110.020 -6.453 -5.259 1.00 0.00 N ATOM 2016 CA ILE A 127 111.053 -5.993 -6.234 1.00 0.00 C ATOM 2017 C ILE A 127 110.388 -5.299 -7.425 1.00 0.00 C ATOM 2018 O ILE A 127 109.547 -5.863 -8.097 1.00 0.00 O ATOM 2019 CB ILE A 127 111.849 -7.195 -6.740 1.00 0.00 C ATOM 2020 CG1 ILE A 127 112.289 -8.064 -5.558 1.00 0.00 C ATOM 2021 CG2 ILE A 127 113.084 -6.705 -7.497 1.00 0.00 C ATOM 2022 CD1 ILE A 127 112.496 -9.503 -6.034 1.00 0.00 C ATOM 0 H ILE A 127 109.497 -7.282 -5.539 1.00 0.00 H new ATOM 0 HA ILE A 127 111.718 -5.289 -5.733 1.00 0.00 H new ATOM 0 HB ILE A 127 111.220 -7.786 -7.406 1.00 0.00 H new ATOM 0 HG12 ILE A 127 113.213 -7.674 -5.130 1.00 0.00 H new ATOM 0 HG13 ILE A 127 111.536 -8.035 -4.771 1.00 0.00 H new ATOM 0 HG21 ILE A 127 113.653 -7.562 -7.859 1.00 0.00 H new ATOM 0 HG22 ILE A 127 112.773 -6.093 -8.343 1.00 0.00 H new ATOM 0 HG23 ILE A 127 113.708 -6.111 -6.829 1.00 0.00 H new ATOM 0 HD11 ILE A 127 112.809 -10.123 -5.194 1.00 0.00 H new ATOM 0 HD12 ILE A 127 111.562 -9.889 -6.441 1.00 0.00 H new ATOM 0 HD13 ILE A 127 113.265 -9.524 -6.806 1.00 0.00 H new ATOM 2034 N PHE A 128 110.765 -4.077 -7.692 1.00 0.00 N ATOM 2035 CA PHE A 128 110.164 -3.339 -8.843 1.00 0.00 C ATOM 2036 C PHE A 128 111.126 -3.329 -10.032 1.00 0.00 C ATOM 2037 O PHE A 128 112.238 -3.810 -9.958 1.00 0.00 O ATOM 2038 CB PHE A 128 109.880 -1.880 -8.450 1.00 0.00 C ATOM 2039 CG PHE A 128 109.117 -1.798 -7.152 1.00 0.00 C ATOM 2040 CD1 PHE A 128 108.399 -2.896 -6.700 1.00 0.00 C ATOM 2041 CD2 PHE A 128 109.122 -0.610 -6.409 1.00 0.00 C ATOM 2042 CE1 PHE A 128 107.675 -2.823 -5.504 1.00 0.00 C ATOM 2043 CE2 PHE A 128 108.403 -0.532 -5.211 1.00 0.00 C ATOM 2044 CZ PHE A 128 107.678 -1.639 -4.758 1.00 0.00 C ATOM 0 H PHE A 128 111.464 -3.557 -7.162 1.00 0.00 H new ATOM 0 HA PHE A 128 109.237 -3.844 -9.115 1.00 0.00 H new ATOM 0 HB2 PHE A 128 110.821 -1.337 -8.356 1.00 0.00 H new ATOM 0 HB3 PHE A 128 109.309 -1.393 -9.241 1.00 0.00 H new ATOM 0 HD1 PHE A 128 108.399 -3.811 -7.273 1.00 0.00 H new ATOM 0 HD2 PHE A 128 109.680 0.245 -6.761 1.00 0.00 H new ATOM 0 HE1 PHE A 128 107.115 -3.679 -5.158 1.00 0.00 H new ATOM 0 HE2 PHE A 128 108.408 0.383 -4.637 1.00 0.00 H new ATOM 0 HZ PHE A 128 107.122 -1.580 -3.834 1.00 0.00 H new ATOM 2054 N LYS A 129 110.690 -2.764 -11.129 1.00 0.00 N ATOM 2055 CA LYS A 129 111.546 -2.687 -12.343 1.00 0.00 C ATOM 2056 C LYS A 129 111.080 -1.500 -13.193 1.00 0.00 C ATOM 2057 O LYS A 129 110.036 -0.927 -12.953 1.00 0.00 O ATOM 2058 CB LYS A 129 111.412 -3.979 -13.151 1.00 0.00 C ATOM 2059 CG LYS A 129 112.407 -3.961 -14.314 1.00 0.00 C ATOM 2060 CD LYS A 129 112.722 -5.396 -14.739 1.00 0.00 C ATOM 2061 CE LYS A 129 113.210 -5.404 -16.189 1.00 0.00 C ATOM 2062 NZ LYS A 129 113.610 -6.788 -16.570 1.00 0.00 N ATOM 0 H LYS A 129 109.764 -2.348 -11.233 1.00 0.00 H new ATOM 0 HA LYS A 129 112.589 -2.556 -12.055 1.00 0.00 H new ATOM 0 HB2 LYS A 129 111.600 -4.841 -12.511 1.00 0.00 H new ATOM 0 HB3 LYS A 129 110.395 -4.079 -13.530 1.00 0.00 H new ATOM 0 HG2 LYS A 129 111.991 -3.405 -15.154 1.00 0.00 H new ATOM 0 HG3 LYS A 129 113.322 -3.450 -14.015 1.00 0.00 H new ATOM 0 HD2 LYS A 129 113.484 -5.821 -14.086 1.00 0.00 H new ATOM 0 HD3 LYS A 129 111.833 -6.019 -14.640 1.00 0.00 H new ATOM 0 HE2 LYS A 129 112.422 -5.046 -16.851 1.00 0.00 H new ATOM 0 HE3 LYS A 129 114.055 -4.725 -16.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 113.942 -6.795 -17.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 114.375 -7.113 -15.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 112.793 -7.424 -16.476 1.00 0.00 H new ATOM 2076 N LYS A 130 111.844 -1.121 -14.179 1.00 0.00 N ATOM 2077 CA LYS A 130 111.442 0.033 -15.033 1.00 0.00 C ATOM 2078 C LYS A 130 110.003 -0.161 -15.515 1.00 0.00 C ATOM 2079 O LYS A 130 109.603 -1.247 -15.882 1.00 0.00 O ATOM 2080 CB LYS A 130 112.377 0.124 -16.243 1.00 0.00 C ATOM 2081 CG LYS A 130 112.745 -1.285 -16.713 1.00 0.00 C ATOM 2082 CD LYS A 130 113.551 -1.196 -18.011 1.00 0.00 C ATOM 2083 CE LYS A 130 114.886 -0.500 -17.736 1.00 0.00 C ATOM 2084 NZ LYS A 130 115.889 -0.929 -18.752 1.00 0.00 N ATOM 0 H LYS A 130 112.730 -1.560 -14.431 1.00 0.00 H new ATOM 0 HA LYS A 130 111.508 0.953 -14.452 1.00 0.00 H new ATOM 0 HB2 LYS A 130 111.892 0.673 -17.050 1.00 0.00 H new ATOM 0 HB3 LYS A 130 113.278 0.677 -15.978 1.00 0.00 H new ATOM 0 HG2 LYS A 130 113.327 -1.795 -15.946 1.00 0.00 H new ATOM 0 HG3 LYS A 130 111.842 -1.874 -16.873 1.00 0.00 H new ATOM 0 HD2 LYS A 130 113.725 -2.194 -18.413 1.00 0.00 H new ATOM 0 HD3 LYS A 130 112.989 -0.643 -18.764 1.00 0.00 H new ATOM 0 HE2 LYS A 130 114.758 0.582 -17.770 1.00 0.00 H new ATOM 0 HE3 LYS A 130 115.238 -0.748 -16.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 116.796 -0.456 -18.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 116.018 -1.960 -18.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 115.553 -0.671 -19.702 1.00 0.00 H new ATOM 2098 N ASP A 131 109.221 0.885 -15.519 1.00 0.00 N ATOM 2099 CA ASP A 131 107.809 0.755 -15.979 1.00 0.00 C ATOM 2100 C ASP A 131 107.767 -0.087 -17.257 1.00 0.00 C ATOM 2101 O ASP A 131 106.769 -0.754 -17.470 1.00 0.00 O ATOM 2102 CB ASP A 131 107.234 2.144 -16.263 1.00 0.00 C ATOM 2103 CG ASP A 131 105.938 2.009 -17.064 1.00 0.00 C ATOM 2104 OD1 ASP A 131 105.821 2.675 -18.080 1.00 0.00 O ATOM 2105 OD2 ASP A 131 105.084 1.243 -16.649 1.00 0.00 O ATOM 0 H ASP A 131 109.498 1.821 -15.224 1.00 0.00 H new ATOM 0 HA ASP A 131 107.216 0.270 -15.203 1.00 0.00 H new ATOM 0 HB2 ASP A 131 107.042 2.667 -15.326 1.00 0.00 H new ATOM 0 HB3 ASP A 131 107.957 2.741 -16.819 1.00 0.00 H new TER 2110 ASP A 131