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 100 ASN : amide:sc= -3.15! C(o=-5.7!,f=-11!) USER MOD Set 1.2: A 119 TYR OH : rot -15:sc= -2.56! USER MOD Set 2.1: A 115 GLN :FLIP amide:sc= -5.38! C(o=-9.5!,f=-6!) USER MOD Set 2.2: A 117 TYR OH : rot 165:sc= -0.651 USER MOD Set 3.1: A 81 THR OG1 : rot -88:sc= -2.79! USER MOD Set 3.2: A 92 LYS NZ :NH3+ 140:sc= -7.2! (180deg=-6.13!) USER MOD Set 4.1: A 39 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 50 LYS NZ :NH3+ -179:sc= -1.84 (180deg=-1.89) USER MOD Set 4.3: A 52 SER OG : rot -39:sc= -0.32! USER MOD Set 5.1: A 14 TYR OH : rot 180:sc= 0 USER MOD Set 5.2: A 18 MET CE :methyl 152:sc= -1.5 (180deg=-2.83!) USER MOD Single : A 1 ALA N :NH3+ 154:sc= -7.1! (180deg=-8.08!) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0107) USER MOD Single : A 11 SER OG : rot 65:sc= 0.664 USER MOD Single : A 13 ASN : amide:sc= 0.234 K(o=0.23,f=-0.63) USER MOD Single : A 16 LYS NZ :NH3+ -139:sc= -0.29 (180deg=-1.4!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 MET CE :methyl -169:sc= -0.745 (180deg=-1.03) USER MOD Single : A 24 ASN : amide:sc= 0 K(o=0,f=-1) 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 :FLIP no HD1:sc= -0.193 F(o=-1.9,f=-0.19) USER MOD Single : A 35 ASN : amide:sc= -3.2 K(o=-3.2,f=-3.7!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -5.75! C(o=-5.8!,f=-7.6!) USER MOD Single : A 45 ASN : amide:sc= -1.95! C(o=-2!,f=-5.1!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.138 USER MOD Single : A 53 SER OG : rot -88:sc= 0.68 USER MOD Single : A 57 ASN : amide:sc= -0.921 K(o=-0.92,f=-6.4!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0674 USER MOD Single : A 69 ASN :FLIP amide:sc= -1.95! C(o=-4.8!,f=-1.9!) USER MOD Single : A 71 ASN : amide:sc= -0.803 K(o=-0.8,f=-2.8!) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.802 USER MOD Single : A 83 SER OG : rot -170:sc= -4.21! USER MOD Single : A 87 ASN :FLIP amide:sc= -0.396 F(o=-3.2!,f=-0.4) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -160:sc= -0.568 (180deg=-1.61!) USER MOD Single : A 96 THR OG1 : rot -150:sc= -1.6 USER MOD Single : A 98 ASN : amide:sc= -0.594 X(o=-0.59,f=-0.56) USER MOD Single : A 103 ASN :FLIP amide:sc= -0.872! C(o=-2.6!,f=-0.87!) USER MOD Single : A 104 THR OG1 : rot 61:sc= -0.32! USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ 173:sc= 0.151 (180deg=0.136) USER MOD Single : A 129 LYS NZ :NH3+ 176:sc= -0.63! (180deg=-0.694!) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 113.581 4.628 -5.192 1.00 0.00 N ATOM 2 CA ALA A 1 114.143 5.966 -5.528 1.00 0.00 C ATOM 3 C ALA A 1 114.683 5.943 -6.958 1.00 0.00 C ATOM 4 O ALA A 1 115.611 6.651 -7.297 1.00 0.00 O ATOM 5 CB ALA A 1 115.277 6.300 -4.552 1.00 0.00 C ATOM 0 H1 ALA A 1 113.621 4.483 -4.163 1.00 0.00 H new ATOM 0 H2 ALA A 1 112.592 4.577 -5.511 1.00 0.00 H new ATOM 0 H3 ALA A 1 114.137 3.889 -5.667 1.00 0.00 H new ATOM 0 HA ALA A 1 113.363 6.724 -5.448 1.00 0.00 H new ATOM 0 HB1 ALA A 1 115.690 7.279 -4.796 1.00 0.00 H new ATOM 0 HB2 ALA A 1 114.888 6.313 -3.534 1.00 0.00 H new ATOM 0 HB3 ALA A 1 116.060 5.546 -4.632 1.00 0.00 H new ATOM 13 N PHE A 2 114.107 5.133 -7.798 1.00 0.00 N ATOM 14 CA PHE A 2 114.586 5.058 -9.206 1.00 0.00 C ATOM 15 C PHE A 2 114.381 6.402 -9.887 1.00 0.00 C ATOM 16 O PHE A 2 114.505 6.528 -11.090 1.00 0.00 O ATOM 17 CB PHE A 2 113.772 4.020 -9.971 1.00 0.00 C ATOM 18 CG PHE A 2 114.499 2.702 -10.058 1.00 0.00 C ATOM 19 CD1 PHE A 2 113.843 1.530 -9.669 1.00 0.00 C ATOM 20 CD2 PHE A 2 115.807 2.643 -10.556 1.00 0.00 C ATOM 21 CE1 PHE A 2 114.491 0.295 -9.772 1.00 0.00 C ATOM 22 CE2 PHE A 2 116.459 1.410 -10.656 1.00 0.00 C ATOM 23 CZ PHE A 2 115.801 0.236 -10.265 1.00 0.00 C ATOM 0 H PHE A 2 113.325 4.519 -7.572 1.00 0.00 H new ATOM 0 HA PHE A 2 115.642 4.788 -9.202 1.00 0.00 H new ATOM 0 HB2 PHE A 2 112.811 3.875 -9.478 1.00 0.00 H new ATOM 0 HB3 PHE A 2 113.563 4.388 -10.975 1.00 0.00 H new ATOM 0 HD1 PHE A 2 112.834 1.579 -9.288 1.00 0.00 H new ATOM 0 HD2 PHE A 2 116.311 3.548 -10.862 1.00 0.00 H new ATOM 0 HE1 PHE A 2 113.983 -0.610 -9.473 1.00 0.00 H new ATOM 0 HE2 PHE A 2 117.469 1.362 -11.034 1.00 0.00 H new ATOM 0 HZ PHE A 2 116.305 -0.716 -10.344 1.00 0.00 H new ATOM 33 N ASP A 3 114.052 7.393 -9.133 1.00 0.00 N ATOM 34 CA ASP A 3 113.812 8.737 -9.731 1.00 0.00 C ATOM 35 C ASP A 3 113.105 8.563 -11.084 1.00 0.00 C ATOM 36 O ASP A 3 113.467 9.181 -12.065 1.00 0.00 O ATOM 37 CB ASP A 3 115.149 9.449 -9.941 1.00 0.00 C ATOM 38 CG ASP A 3 116.161 8.472 -10.542 1.00 0.00 C ATOM 39 OD1 ASP A 3 116.905 7.878 -9.780 1.00 0.00 O ATOM 40 OD2 ASP A 3 116.174 8.335 -11.754 1.00 0.00 O ATOM 0 H ASP A 3 113.935 7.341 -8.121 1.00 0.00 H new ATOM 0 HA ASP A 3 113.189 9.332 -9.063 1.00 0.00 H new ATOM 0 HB2 ASP A 3 115.017 10.305 -10.603 1.00 0.00 H new ATOM 0 HB3 ASP A 3 115.520 9.835 -8.992 1.00 0.00 H new ATOM 45 N SER A 4 112.105 7.718 -11.146 1.00 0.00 N ATOM 46 CA SER A 4 111.391 7.501 -12.443 1.00 0.00 C ATOM 47 C SER A 4 110.100 6.703 -12.215 1.00 0.00 C ATOM 48 O SER A 4 109.493 6.767 -11.164 1.00 0.00 O ATOM 49 CB SER A 4 112.304 6.733 -13.401 1.00 0.00 C ATOM 50 OG SER A 4 112.153 7.257 -14.714 1.00 0.00 O ATOM 0 H SER A 4 111.754 7.172 -10.359 1.00 0.00 H new ATOM 0 HA SER A 4 111.134 8.469 -12.873 1.00 0.00 H new ATOM 0 HB2 SER A 4 113.342 6.819 -13.080 1.00 0.00 H new ATOM 0 HB3 SER A 4 112.053 5.672 -13.389 1.00 0.00 H new ATOM 0 HG SER A 4 112.738 6.769 -15.330 1.00 0.00 H new ATOM 56 N THR A 5 109.671 5.959 -13.205 1.00 0.00 N ATOM 57 CA THR A 5 108.413 5.161 -13.065 1.00 0.00 C ATOM 58 C THR A 5 108.743 3.667 -12.969 1.00 0.00 C ATOM 59 O THR A 5 109.433 3.115 -13.804 1.00 0.00 O ATOM 60 CB THR A 5 107.524 5.408 -14.286 1.00 0.00 C ATOM 61 OG1 THR A 5 107.088 6.759 -14.288 1.00 0.00 O ATOM 62 CG2 THR A 5 106.310 4.478 -14.233 1.00 0.00 C ATOM 0 H THR A 5 110.139 5.870 -14.107 1.00 0.00 H new ATOM 0 HA THR A 5 107.893 5.467 -12.158 1.00 0.00 H new ATOM 0 HB THR A 5 108.092 5.208 -15.195 1.00 0.00 H new ATOM 0 HG1 THR A 5 106.520 6.918 -15.071 1.00 0.00 H new ATOM 0 HG21 THR A 5 105.678 4.655 -15.103 1.00 0.00 H new ATOM 0 HG22 THR A 5 106.646 3.441 -14.233 1.00 0.00 H new ATOM 0 HG23 THR A 5 105.740 4.675 -13.325 1.00 0.00 H new ATOM 70 N TRP A 6 108.256 3.011 -11.947 1.00 0.00 N ATOM 71 CA TRP A 6 108.535 1.554 -11.775 1.00 0.00 C ATOM 72 C TRP A 6 107.276 0.874 -11.230 1.00 0.00 C ATOM 73 O TRP A 6 106.341 1.533 -10.832 1.00 0.00 O ATOM 74 CB TRP A 6 109.694 1.375 -10.794 1.00 0.00 C ATOM 75 CG TRP A 6 110.911 2.023 -11.364 1.00 0.00 C ATOM 76 CD1 TRP A 6 111.069 3.353 -11.545 1.00 0.00 C ATOM 77 CD2 TRP A 6 112.138 1.397 -11.834 1.00 0.00 C ATOM 78 NE1 TRP A 6 112.305 3.581 -12.112 1.00 0.00 N ATOM 79 CE2 TRP A 6 113.006 2.408 -12.303 1.00 0.00 C ATOM 80 CE3 TRP A 6 112.578 0.067 -11.899 1.00 0.00 C ATOM 81 CZ2 TRP A 6 114.267 2.109 -12.819 1.00 0.00 C ATOM 82 CZ3 TRP A 6 113.846 -0.240 -12.417 1.00 0.00 C ATOM 83 CH2 TRP A 6 114.689 0.780 -12.877 1.00 0.00 C ATOM 0 H TRP A 6 107.673 3.425 -11.220 1.00 0.00 H new ATOM 0 HA TRP A 6 108.807 1.105 -12.730 1.00 0.00 H new ATOM 0 HB2 TRP A 6 109.445 1.820 -9.831 1.00 0.00 H new ATOM 0 HB3 TRP A 6 109.878 0.315 -10.617 1.00 0.00 H new ATOM 0 HD1 TRP A 6 110.346 4.113 -11.288 1.00 0.00 H new ATOM 0 HE1 TRP A 6 112.658 4.505 -12.360 1.00 0.00 H new ATOM 0 HE3 TRP A 6 111.936 -0.727 -11.548 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 114.912 2.900 -13.171 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 114.174 -1.268 -12.461 1.00 0.00 H new ATOM 0 HH2 TRP A 6 115.663 0.538 -13.276 1.00 0.00 H new ATOM 94 N LYS A 7 107.225 -0.433 -11.218 1.00 0.00 N ATOM 95 CA LYS A 7 105.999 -1.108 -10.705 1.00 0.00 C ATOM 96 C LYS A 7 106.343 -2.487 -10.141 1.00 0.00 C ATOM 97 O LYS A 7 107.189 -3.191 -10.657 1.00 0.00 O ATOM 98 CB LYS A 7 104.994 -1.264 -11.848 1.00 0.00 C ATOM 99 CG LYS A 7 105.454 -2.383 -12.785 1.00 0.00 C ATOM 100 CD LYS A 7 104.843 -2.172 -14.172 1.00 0.00 C ATOM 101 CE LYS A 7 105.430 -3.193 -15.150 1.00 0.00 C ATOM 102 NZ LYS A 7 104.816 -4.528 -14.901 1.00 0.00 N ATOM 0 H LYS A 7 107.969 -1.054 -11.537 1.00 0.00 H new ATOM 0 HA LYS A 7 105.568 -0.501 -9.909 1.00 0.00 H new ATOM 0 HB2 LYS A 7 104.006 -1.493 -11.449 1.00 0.00 H new ATOM 0 HB3 LYS A 7 104.906 -0.328 -12.399 1.00 0.00 H new ATOM 0 HG2 LYS A 7 106.542 -2.391 -12.853 1.00 0.00 H new ATOM 0 HG3 LYS A 7 105.153 -3.352 -12.387 1.00 0.00 H new ATOM 0 HD2 LYS A 7 103.759 -2.280 -14.124 1.00 0.00 H new ATOM 0 HD3 LYS A 7 105.047 -1.160 -14.521 1.00 0.00 H new ATOM 0 HE2 LYS A 7 105.241 -2.880 -16.177 1.00 0.00 H new ATOM 0 HE3 LYS A 7 106.512 -3.250 -15.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 105.163 -5.207 -15.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 105.075 -4.857 -13.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 103.781 -4.453 -14.972 1.00 0.00 H new ATOM 116 N VAL A 8 105.685 -2.877 -9.083 1.00 0.00 N ATOM 117 CA VAL A 8 105.958 -4.207 -8.477 1.00 0.00 C ATOM 118 C VAL A 8 106.089 -5.261 -9.572 1.00 0.00 C ATOM 119 O VAL A 8 105.118 -5.678 -10.173 1.00 0.00 O ATOM 120 CB VAL A 8 104.816 -4.575 -7.522 1.00 0.00 C ATOM 121 CG1 VAL A 8 103.512 -3.956 -8.024 1.00 0.00 C ATOM 122 CG2 VAL A 8 104.666 -6.099 -7.450 1.00 0.00 C ATOM 0 H VAL A 8 104.967 -2.327 -8.612 1.00 0.00 H new ATOM 0 HA VAL A 8 106.893 -4.167 -7.919 1.00 0.00 H new ATOM 0 HB VAL A 8 105.043 -4.191 -6.527 1.00 0.00 H new ATOM 0 HG11 VAL A 8 102.700 -4.218 -7.345 1.00 0.00 H new ATOM 0 HG12 VAL A 8 103.616 -2.872 -8.065 1.00 0.00 H new ATOM 0 HG13 VAL A 8 103.289 -4.337 -9.021 1.00 0.00 H new ATOM 0 HG21 VAL A 8 103.853 -6.353 -6.770 1.00 0.00 H new ATOM 0 HG22 VAL A 8 104.444 -6.490 -8.443 1.00 0.00 H new ATOM 0 HG23 VAL A 8 105.594 -6.539 -7.086 1.00 0.00 H new ATOM 132 N ASP A 9 107.286 -5.710 -9.816 1.00 0.00 N ATOM 133 CA ASP A 9 107.497 -6.757 -10.845 1.00 0.00 C ATOM 134 C ASP A 9 107.553 -8.107 -10.138 1.00 0.00 C ATOM 135 O ASP A 9 107.156 -9.122 -10.672 1.00 0.00 O ATOM 136 CB ASP A 9 108.814 -6.503 -11.581 1.00 0.00 C ATOM 137 CG ASP A 9 109.115 -7.680 -12.511 1.00 0.00 C ATOM 138 OD1 ASP A 9 108.277 -7.975 -13.348 1.00 0.00 O ATOM 139 OD2 ASP A 9 110.175 -8.265 -12.371 1.00 0.00 O ATOM 0 H ASP A 9 108.132 -5.393 -9.342 1.00 0.00 H new ATOM 0 HA ASP A 9 106.685 -6.743 -11.572 1.00 0.00 H new ATOM 0 HB2 ASP A 9 108.749 -5.579 -12.156 1.00 0.00 H new ATOM 0 HB3 ASP A 9 109.625 -6.376 -10.864 1.00 0.00 H new ATOM 144 N ARG A 10 108.035 -8.116 -8.922 1.00 0.00 N ATOM 145 CA ARG A 10 108.106 -9.399 -8.161 1.00 0.00 C ATOM 146 C ARG A 10 107.944 -9.121 -6.661 1.00 0.00 C ATOM 147 O ARG A 10 108.059 -8.000 -6.211 1.00 0.00 O ATOM 148 CB ARG A 10 109.454 -10.081 -8.414 1.00 0.00 C ATOM 149 CG ARG A 10 109.792 -10.015 -9.905 1.00 0.00 C ATOM 150 CD ARG A 10 111.075 -10.805 -10.172 1.00 0.00 C ATOM 151 NE ARG A 10 112.258 -9.950 -9.872 1.00 0.00 N ATOM 152 CZ ARG A 10 113.453 -10.473 -9.856 1.00 0.00 C ATOM 153 NH1 ARG A 10 114.489 -9.724 -9.594 1.00 0.00 N ATOM 154 NH2 ARG A 10 113.612 -11.745 -10.103 1.00 0.00 N ATOM 0 H ARG A 10 108.381 -7.295 -8.425 1.00 0.00 H new ATOM 0 HA ARG A 10 107.303 -10.056 -8.496 1.00 0.00 H new ATOM 0 HB2 ARG A 10 110.235 -9.592 -7.832 1.00 0.00 H new ATOM 0 HB3 ARG A 10 109.415 -11.120 -8.086 1.00 0.00 H new ATOM 0 HG2 ARG A 10 108.971 -10.424 -10.494 1.00 0.00 H new ATOM 0 HG3 ARG A 10 109.920 -8.978 -10.214 1.00 0.00 H new ATOM 0 HD2 ARG A 10 111.096 -11.703 -9.555 1.00 0.00 H new ATOM 0 HD3 ARG A 10 111.104 -11.132 -11.211 1.00 0.00 H new ATOM 0 HE ARG A 10 112.133 -8.956 -9.679 1.00 0.00 H new ATOM 0 HH11 ARG A 10 114.364 -8.730 -9.402 1.00 0.00 H new ATOM 0 HH12 ARG A 10 115.424 -10.133 -9.581 1.00 0.00 H new ATOM 0 HH21 ARG A 10 112.802 -12.330 -10.308 1.00 0.00 H new ATOM 0 HH22 ARG A 10 114.546 -12.154 -10.091 1.00 0.00 H new ATOM 168 N SER A 11 107.676 -10.140 -5.885 1.00 0.00 N ATOM 169 CA SER A 11 107.504 -9.944 -4.415 1.00 0.00 C ATOM 170 C SER A 11 107.438 -11.312 -3.727 1.00 0.00 C ATOM 171 O SER A 11 107.344 -12.335 -4.378 1.00 0.00 O ATOM 172 CB SER A 11 106.208 -9.177 -4.149 1.00 0.00 C ATOM 173 OG SER A 11 105.822 -9.363 -2.793 1.00 0.00 O ATOM 0 H SER A 11 107.569 -11.102 -6.208 1.00 0.00 H new ATOM 0 HA SER A 11 108.347 -9.376 -4.022 1.00 0.00 H new ATOM 0 HB2 SER A 11 106.350 -8.116 -4.356 1.00 0.00 H new ATOM 0 HB3 SER A 11 105.420 -9.529 -4.815 1.00 0.00 H new ATOM 0 HG SER A 11 106.490 -8.955 -2.204 1.00 0.00 H new ATOM 179 N GLU A 12 107.493 -11.349 -2.420 1.00 0.00 N ATOM 180 CA GLU A 12 107.438 -12.667 -1.719 1.00 0.00 C ATOM 181 C GLU A 12 107.184 -12.466 -0.220 1.00 0.00 C ATOM 182 O GLU A 12 107.296 -11.374 0.301 1.00 0.00 O ATOM 183 CB GLU A 12 108.767 -13.400 -1.914 1.00 0.00 C ATOM 184 CG GLU A 12 109.925 -12.456 -1.585 1.00 0.00 C ATOM 185 CD GLU A 12 111.242 -13.233 -1.618 1.00 0.00 C ATOM 186 OE1 GLU A 12 111.459 -14.030 -0.721 1.00 0.00 O ATOM 187 OE2 GLU A 12 112.010 -13.018 -2.541 1.00 0.00 O ATOM 0 H GLU A 12 107.573 -10.533 -1.813 1.00 0.00 H new ATOM 0 HA GLU A 12 106.623 -13.256 -2.139 1.00 0.00 H new ATOM 0 HB2 GLU A 12 108.807 -14.279 -1.271 1.00 0.00 H new ATOM 0 HB3 GLU A 12 108.852 -13.753 -2.942 1.00 0.00 H new ATOM 0 HG2 GLU A 12 109.956 -11.637 -2.303 1.00 0.00 H new ATOM 0 HG3 GLU A 12 109.777 -12.011 -0.601 1.00 0.00 H new ATOM 194 N ASN A 13 106.846 -13.525 0.472 1.00 0.00 N ATOM 195 CA ASN A 13 106.587 -13.432 1.942 1.00 0.00 C ATOM 196 C ASN A 13 105.395 -12.509 2.209 1.00 0.00 C ATOM 197 O ASN A 13 104.895 -12.435 3.315 1.00 0.00 O ATOM 198 CB ASN A 13 107.826 -12.878 2.655 1.00 0.00 C ATOM 199 CG ASN A 13 108.654 -14.028 3.226 1.00 0.00 C ATOM 200 OD1 ASN A 13 108.684 -15.109 2.671 1.00 0.00 O ATOM 201 ND2 ASN A 13 109.334 -13.837 4.323 1.00 0.00 N ATOM 0 H ASN A 13 106.737 -14.459 0.077 1.00 0.00 H new ATOM 0 HA ASN A 13 106.363 -14.429 2.322 1.00 0.00 H new ATOM 0 HB2 ASN A 13 108.428 -12.296 1.957 1.00 0.00 H new ATOM 0 HB3 ASN A 13 107.524 -12.203 3.456 1.00 0.00 H new ATOM 0 HD21 ASN A 13 109.892 -14.595 4.716 1.00 0.00 H new ATOM 0 HD22 ASN A 13 109.308 -12.929 4.788 1.00 0.00 H new ATOM 208 N TYR A 14 104.938 -11.801 1.218 1.00 0.00 N ATOM 209 CA TYR A 14 103.785 -10.882 1.431 1.00 0.00 C ATOM 210 C TYR A 14 102.717 -11.576 2.275 1.00 0.00 C ATOM 211 O TYR A 14 102.364 -11.115 3.342 1.00 0.00 O ATOM 212 CB TYR A 14 103.198 -10.477 0.074 1.00 0.00 C ATOM 213 CG TYR A 14 102.899 -8.995 0.061 1.00 0.00 C ATOM 214 CD1 TYR A 14 103.851 -8.081 0.530 1.00 0.00 C ATOM 215 CD2 TYR A 14 101.669 -8.537 -0.426 1.00 0.00 C ATOM 216 CE1 TYR A 14 103.572 -6.709 0.512 1.00 0.00 C ATOM 217 CE2 TYR A 14 101.390 -7.166 -0.444 1.00 0.00 C ATOM 218 CZ TYR A 14 102.341 -6.251 0.026 1.00 0.00 C ATOM 219 OH TYR A 14 102.066 -4.899 0.009 1.00 0.00 O ATOM 0 H TYR A 14 105.312 -11.817 0.269 1.00 0.00 H new ATOM 0 HA TYR A 14 104.125 -9.990 1.957 1.00 0.00 H new ATOM 0 HB2 TYR A 14 103.900 -10.722 -0.723 1.00 0.00 H new ATOM 0 HB3 TYR A 14 102.286 -11.042 -0.120 1.00 0.00 H new ATOM 0 HD1 TYR A 14 104.800 -8.434 0.905 1.00 0.00 H new ATOM 0 HD2 TYR A 14 100.935 -9.242 -0.788 1.00 0.00 H new ATOM 0 HE1 TYR A 14 104.306 -6.004 0.873 1.00 0.00 H new ATOM 0 HE2 TYR A 14 100.441 -6.813 -0.820 1.00 0.00 H new ATOM 0 HH TYR A 14 101.170 -4.752 -0.360 1.00 0.00 H new ATOM 229 N ASP A 15 102.191 -12.673 1.813 1.00 0.00 N ATOM 230 CA ASP A 15 101.145 -13.369 2.607 1.00 0.00 C ATOM 231 C ASP A 15 101.620 -13.511 4.049 1.00 0.00 C ATOM 232 O ASP A 15 100.893 -13.234 4.981 1.00 0.00 O ATOM 233 CB ASP A 15 100.875 -14.753 2.012 1.00 0.00 C ATOM 234 CG ASP A 15 100.924 -14.671 0.485 1.00 0.00 C ATOM 235 OD1 ASP A 15 102.016 -14.726 -0.057 1.00 0.00 O ATOM 236 OD2 ASP A 15 99.870 -14.555 -0.117 1.00 0.00 O ATOM 0 H ASP A 15 102.437 -13.115 0.927 1.00 0.00 H new ATOM 0 HA ASP A 15 100.223 -12.788 2.582 1.00 0.00 H new ATOM 0 HB2 ASP A 15 101.616 -15.466 2.372 1.00 0.00 H new ATOM 0 HB3 ASP A 15 99.900 -15.116 2.336 1.00 0.00 H new ATOM 241 N LYS A 16 102.838 -13.922 4.245 1.00 0.00 N ATOM 242 CA LYS A 16 103.352 -14.059 5.634 1.00 0.00 C ATOM 243 C LYS A 16 103.276 -12.695 6.309 1.00 0.00 C ATOM 244 O LYS A 16 102.902 -12.575 7.460 1.00 0.00 O ATOM 245 CB LYS A 16 104.803 -14.546 5.607 1.00 0.00 C ATOM 246 CG LYS A 16 104.875 -15.907 4.913 1.00 0.00 C ATOM 247 CD LYS A 16 104.625 -17.018 5.935 1.00 0.00 C ATOM 248 CE LYS A 16 104.311 -18.325 5.203 1.00 0.00 C ATOM 249 NZ LYS A 16 103.110 -18.136 4.342 1.00 0.00 N ATOM 0 H LYS A 16 103.498 -14.168 3.508 1.00 0.00 H new ATOM 0 HA LYS A 16 102.753 -14.784 6.185 1.00 0.00 H new ATOM 0 HB2 LYS A 16 105.429 -13.825 5.082 1.00 0.00 H new ATOM 0 HB3 LYS A 16 105.190 -14.624 6.623 1.00 0.00 H new ATOM 0 HG2 LYS A 16 104.134 -15.959 4.115 1.00 0.00 H new ATOM 0 HG3 LYS A 16 105.853 -16.039 4.449 1.00 0.00 H new ATOM 0 HD2 LYS A 16 105.502 -17.146 6.570 1.00 0.00 H new ATOM 0 HD3 LYS A 16 103.795 -16.746 6.588 1.00 0.00 H new ATOM 0 HE2 LYS A 16 105.164 -18.628 4.595 1.00 0.00 H new ATOM 0 HE3 LYS A 16 104.133 -19.124 5.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 102.502 -18.977 4.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 102.580 -17.301 4.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 103.408 -17.997 3.355 1.00 0.00 H new ATOM 263 N PHE A 17 103.610 -11.660 5.591 1.00 0.00 N ATOM 264 CA PHE A 17 103.539 -10.297 6.174 1.00 0.00 C ATOM 265 C PHE A 17 102.078 -9.954 6.422 1.00 0.00 C ATOM 266 O PHE A 17 101.648 -9.756 7.543 1.00 0.00 O ATOM 267 CB PHE A 17 104.138 -9.315 5.175 1.00 0.00 C ATOM 268 CG PHE A 17 103.907 -7.899 5.636 1.00 0.00 C ATOM 269 CD1 PHE A 17 104.917 -7.234 6.322 1.00 0.00 C ATOM 270 CD2 PHE A 17 102.696 -7.250 5.367 1.00 0.00 C ATOM 271 CE1 PHE A 17 104.729 -5.915 6.748 1.00 0.00 C ATOM 272 CE2 PHE A 17 102.502 -5.931 5.793 1.00 0.00 C ATOM 273 CZ PHE A 17 103.519 -5.263 6.484 1.00 0.00 C ATOM 0 H PHE A 17 103.930 -11.702 4.623 1.00 0.00 H new ATOM 0 HA PHE A 17 104.090 -10.246 7.113 1.00 0.00 H new ATOM 0 HB2 PHE A 17 105.207 -9.501 5.067 1.00 0.00 H new ATOM 0 HB3 PHE A 17 103.688 -9.464 4.193 1.00 0.00 H new ATOM 0 HD1 PHE A 17 105.850 -7.738 6.527 1.00 0.00 H new ATOM 0 HD2 PHE A 17 101.913 -7.766 4.832 1.00 0.00 H new ATOM 0 HE1 PHE A 17 105.516 -5.401 7.280 1.00 0.00 H new ATOM 0 HE2 PHE A 17 101.568 -5.429 5.589 1.00 0.00 H new ATOM 0 HZ PHE A 17 103.370 -4.245 6.813 1.00 0.00 H new ATOM 283 N MET A 18 101.314 -9.894 5.375 1.00 0.00 N ATOM 284 CA MET A 18 99.868 -9.577 5.531 1.00 0.00 C ATOM 285 C MET A 18 99.276 -10.483 6.612 1.00 0.00 C ATOM 286 O MET A 18 98.357 -10.109 7.314 1.00 0.00 O ATOM 287 CB MET A 18 99.141 -9.821 4.201 1.00 0.00 C ATOM 288 CG MET A 18 98.971 -8.501 3.444 1.00 0.00 C ATOM 289 SD MET A 18 100.537 -8.046 2.658 1.00 0.00 S ATOM 290 CE MET A 18 100.167 -6.291 2.415 1.00 0.00 C ATOM 0 H MET A 18 101.625 -10.050 4.416 1.00 0.00 H new ATOM 0 HA MET A 18 99.748 -8.532 5.818 1.00 0.00 H new ATOM 0 HB2 MET A 18 99.706 -10.528 3.593 1.00 0.00 H new ATOM 0 HB3 MET A 18 98.166 -10.270 4.388 1.00 0.00 H new ATOM 0 HG2 MET A 18 98.190 -8.600 2.691 1.00 0.00 H new ATOM 0 HG3 MET A 18 98.655 -7.715 4.130 1.00 0.00 H new ATOM 0 HE1 MET A 18 101.095 -5.720 2.417 1.00 0.00 H new ATOM 0 HE2 MET A 18 99.660 -6.155 1.460 1.00 0.00 H new ATOM 0 HE3 MET A 18 99.523 -5.940 3.221 1.00 0.00 H new ATOM 300 N GLU A 19 99.797 -11.672 6.760 1.00 0.00 N ATOM 301 CA GLU A 19 99.262 -12.589 7.803 1.00 0.00 C ATOM 302 C GLU A 19 99.713 -12.101 9.177 1.00 0.00 C ATOM 303 O GLU A 19 99.042 -12.298 10.170 1.00 0.00 O ATOM 304 CB GLU A 19 99.791 -14.005 7.563 1.00 0.00 C ATOM 305 CG GLU A 19 99.444 -14.890 8.762 1.00 0.00 C ATOM 306 CD GLU A 19 99.577 -16.362 8.365 1.00 0.00 C ATOM 307 OE1 GLU A 19 100.124 -16.624 7.308 1.00 0.00 O ATOM 308 OE2 GLU A 19 99.127 -17.203 9.127 1.00 0.00 O ATOM 0 H GLU A 19 100.567 -12.045 6.205 1.00 0.00 H new ATOM 0 HA GLU A 19 98.173 -12.601 7.757 1.00 0.00 H new ATOM 0 HB2 GLU A 19 99.354 -14.418 6.654 1.00 0.00 H new ATOM 0 HB3 GLU A 19 100.871 -13.981 7.416 1.00 0.00 H new ATOM 0 HG2 GLU A 19 100.108 -14.666 9.597 1.00 0.00 H new ATOM 0 HG3 GLU A 19 98.428 -14.683 9.098 1.00 0.00 H new ATOM 315 N LYS A 20 100.846 -11.456 9.241 1.00 0.00 N ATOM 316 CA LYS A 20 101.337 -10.949 10.551 1.00 0.00 C ATOM 317 C LYS A 20 100.418 -9.827 11.032 1.00 0.00 C ATOM 318 O LYS A 20 99.975 -9.815 12.163 1.00 0.00 O ATOM 319 CB LYS A 20 102.766 -10.419 10.391 1.00 0.00 C ATOM 320 CG LYS A 20 103.622 -10.884 11.572 1.00 0.00 C ATOM 321 CD LYS A 20 104.087 -12.322 11.333 1.00 0.00 C ATOM 322 CE LYS A 20 105.109 -12.713 12.402 1.00 0.00 C ATOM 323 NZ LYS A 20 104.400 -13.055 13.667 1.00 0.00 N ATOM 0 H LYS A 20 101.451 -11.259 8.444 1.00 0.00 H new ATOM 0 HA LYS A 20 101.336 -11.757 11.283 1.00 0.00 H new ATOM 0 HB2 LYS A 20 103.195 -10.777 9.455 1.00 0.00 H new ATOM 0 HB3 LYS A 20 102.757 -9.330 10.342 1.00 0.00 H new ATOM 0 HG2 LYS A 20 104.484 -10.227 11.691 1.00 0.00 H new ATOM 0 HG3 LYS A 20 103.047 -10.826 12.496 1.00 0.00 H new ATOM 0 HD2 LYS A 20 103.235 -13.001 11.364 1.00 0.00 H new ATOM 0 HD3 LYS A 20 104.530 -12.412 10.341 1.00 0.00 H new ATOM 0 HE2 LYS A 20 105.699 -13.564 12.062 1.00 0.00 H new ATOM 0 HE3 LYS A 20 105.804 -11.891 12.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 105.095 -13.321 14.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 103.856 -12.231 13.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 103.754 -13.852 13.498 1.00 0.00 H new ATOM 337 N MET A 21 100.122 -8.888 10.178 1.00 0.00 N ATOM 338 CA MET A 21 99.226 -7.772 10.587 1.00 0.00 C ATOM 339 C MET A 21 97.846 -8.337 10.935 1.00 0.00 C ATOM 340 O MET A 21 96.980 -7.634 11.415 1.00 0.00 O ATOM 341 CB MET A 21 99.099 -6.770 9.431 1.00 0.00 C ATOM 342 CG MET A 21 99.487 -5.370 9.912 1.00 0.00 C ATOM 343 SD MET A 21 98.879 -4.136 8.736 1.00 0.00 S ATOM 344 CE MET A 21 99.993 -4.553 7.373 1.00 0.00 C ATOM 0 H MET A 21 100.461 -8.845 9.217 1.00 0.00 H new ATOM 0 HA MET A 21 99.642 -7.265 11.458 1.00 0.00 H new ATOM 0 HB2 MET A 21 99.742 -7.071 8.604 1.00 0.00 H new ATOM 0 HB3 MET A 21 98.076 -6.764 9.054 1.00 0.00 H new ATOM 0 HG2 MET A 21 99.066 -5.184 10.900 1.00 0.00 H new ATOM 0 HG3 MET A 21 100.570 -5.294 10.007 1.00 0.00 H new ATOM 0 HE1 MET A 21 99.928 -3.785 6.602 1.00 0.00 H new ATOM 0 HE2 MET A 21 101.016 -4.609 7.744 1.00 0.00 H new ATOM 0 HE3 MET A 21 99.707 -5.516 6.951 1.00 0.00 H new ATOM 354 N GLY A 22 97.635 -9.604 10.695 1.00 0.00 N ATOM 355 CA GLY A 22 96.311 -10.211 11.011 1.00 0.00 C ATOM 356 C GLY A 22 95.336 -9.926 9.868 1.00 0.00 C ATOM 357 O GLY A 22 94.137 -9.882 10.057 1.00 0.00 O ATOM 0 H GLY A 22 98.322 -10.243 10.294 1.00 0.00 H new ATOM 0 HA2 GLY A 22 96.416 -11.286 11.154 1.00 0.00 H new ATOM 0 HA3 GLY A 22 95.924 -9.802 11.944 1.00 0.00 H new ATOM 361 N VAL A 23 95.845 -9.732 8.682 1.00 0.00 N ATOM 362 CA VAL A 23 94.952 -9.447 7.524 1.00 0.00 C ATOM 363 C VAL A 23 94.212 -10.725 7.122 1.00 0.00 C ATOM 364 O VAL A 23 94.787 -11.794 7.060 1.00 0.00 O ATOM 365 CB VAL A 23 95.794 -8.952 6.347 1.00 0.00 C ATOM 366 CG1 VAL A 23 94.877 -8.602 5.175 1.00 0.00 C ATOM 367 CG2 VAL A 23 96.578 -7.707 6.770 1.00 0.00 C ATOM 0 H VAL A 23 96.841 -9.759 8.465 1.00 0.00 H new ATOM 0 HA VAL A 23 94.227 -8.682 7.801 1.00 0.00 H new ATOM 0 HB VAL A 23 96.489 -9.735 6.043 1.00 0.00 H new ATOM 0 HG11 VAL A 23 95.477 -8.249 4.336 1.00 0.00 H new ATOM 0 HG12 VAL A 23 94.317 -9.488 4.874 1.00 0.00 H new ATOM 0 HG13 VAL A 23 94.182 -7.819 5.478 1.00 0.00 H new ATOM 0 HG21 VAL A 23 97.179 -7.353 5.932 1.00 0.00 H new ATOM 0 HG22 VAL A 23 95.882 -6.925 7.074 1.00 0.00 H new ATOM 0 HG23 VAL A 23 97.232 -7.955 7.606 1.00 0.00 H new ATOM 377 N ASN A 24 92.939 -10.624 6.846 1.00 0.00 N ATOM 378 CA ASN A 24 92.165 -11.833 6.448 1.00 0.00 C ATOM 379 C ASN A 24 92.870 -12.526 5.280 1.00 0.00 C ATOM 380 O ASN A 24 93.851 -12.034 4.758 1.00 0.00 O ATOM 381 CB ASN A 24 90.755 -11.418 6.020 1.00 0.00 C ATOM 382 CG ASN A 24 89.881 -11.226 7.260 1.00 0.00 C ATOM 383 OD1 ASN A 24 90.296 -10.607 8.220 1.00 0.00 O ATOM 384 ND2 ASN A 24 88.679 -11.735 7.281 1.00 0.00 N ATOM 0 H ASN A 24 92.403 -9.757 6.879 1.00 0.00 H new ATOM 0 HA ASN A 24 92.100 -12.519 7.293 1.00 0.00 H new ATOM 0 HB2 ASN A 24 90.796 -10.493 5.444 1.00 0.00 H new ATOM 0 HB3 ASN A 24 90.322 -12.179 5.371 1.00 0.00 H new ATOM 0 HD21 ASN A 24 88.088 -11.613 8.103 1.00 0.00 H new ATOM 0 HD22 ASN A 24 88.331 -12.254 6.475 1.00 0.00 H new ATOM 391 N ILE A 25 92.383 -13.664 4.869 1.00 0.00 N ATOM 392 CA ILE A 25 93.032 -14.383 3.738 1.00 0.00 C ATOM 393 C ILE A 25 92.484 -13.851 2.420 1.00 0.00 C ATOM 394 O ILE A 25 92.890 -14.247 1.345 1.00 0.00 O ATOM 395 CB ILE A 25 92.749 -15.883 3.861 1.00 0.00 C ATOM 396 CG1 ILE A 25 93.799 -16.528 4.776 1.00 0.00 C ATOM 397 CG2 ILE A 25 92.793 -16.538 2.479 1.00 0.00 C ATOM 398 CD1 ILE A 25 95.076 -16.818 3.982 1.00 0.00 C ATOM 0 H ILE A 25 91.565 -14.126 5.267 1.00 0.00 H new ATOM 0 HA ILE A 25 94.110 -14.221 3.766 1.00 0.00 H new ATOM 0 HB ILE A 25 91.757 -16.028 4.289 1.00 0.00 H new ATOM 0 HG12 ILE A 25 94.023 -15.864 5.611 1.00 0.00 H new ATOM 0 HG13 ILE A 25 93.406 -17.452 5.200 1.00 0.00 H new ATOM 0 HG21 ILE A 25 92.591 -17.605 2.575 1.00 0.00 H new ATOM 0 HG22 ILE A 25 92.040 -16.082 1.836 1.00 0.00 H new ATOM 0 HG23 ILE A 25 93.780 -16.394 2.039 1.00 0.00 H new ATOM 0 HD11 ILE A 25 95.816 -17.276 4.638 1.00 0.00 H new ATOM 0 HD12 ILE A 25 94.848 -17.499 3.162 1.00 0.00 H new ATOM 0 HD13 ILE A 25 95.474 -15.886 3.580 1.00 0.00 H new ATOM 410 N VAL A 26 91.572 -12.948 2.512 1.00 0.00 N ATOM 411 CA VAL A 26 90.971 -12.356 1.285 1.00 0.00 C ATOM 412 C VAL A 26 91.926 -11.313 0.713 1.00 0.00 C ATOM 413 O VAL A 26 92.395 -11.429 -0.401 1.00 0.00 O ATOM 414 CB VAL A 26 89.636 -11.695 1.634 1.00 0.00 C ATOM 415 CG1 VAL A 26 89.038 -11.058 0.379 1.00 0.00 C ATOM 416 CG2 VAL A 26 88.673 -12.753 2.177 1.00 0.00 C ATOM 0 H VAL A 26 91.205 -12.583 3.391 1.00 0.00 H new ATOM 0 HA VAL A 26 90.800 -13.139 0.547 1.00 0.00 H new ATOM 0 HB VAL A 26 89.797 -10.926 2.389 1.00 0.00 H new ATOM 0 HG11 VAL A 26 88.087 -10.587 0.628 1.00 0.00 H new ATOM 0 HG12 VAL A 26 89.725 -10.306 -0.010 1.00 0.00 H new ATOM 0 HG13 VAL A 26 88.876 -11.826 -0.377 1.00 0.00 H new ATOM 0 HG21 VAL A 26 87.721 -12.285 2.426 1.00 0.00 H new ATOM 0 HG22 VAL A 26 88.512 -13.521 1.421 1.00 0.00 H new ATOM 0 HG23 VAL A 26 89.099 -13.208 3.071 1.00 0.00 H new ATOM 426 N LYS A 27 92.232 -10.303 1.473 1.00 0.00 N ATOM 427 CA LYS A 27 93.173 -9.264 0.976 1.00 0.00 C ATOM 428 C LYS A 27 94.548 -9.906 0.804 1.00 0.00 C ATOM 429 O LYS A 27 95.389 -9.421 0.074 1.00 0.00 O ATOM 430 CB LYS A 27 93.264 -8.119 1.991 1.00 0.00 C ATOM 431 CG LYS A 27 91.988 -7.274 1.937 1.00 0.00 C ATOM 432 CD LYS A 27 90.947 -7.857 2.895 1.00 0.00 C ATOM 433 CE LYS A 27 89.650 -7.052 2.790 1.00 0.00 C ATOM 434 NZ LYS A 27 88.833 -7.265 4.019 1.00 0.00 N ATOM 0 H LYS A 27 91.873 -10.151 2.415 1.00 0.00 H new ATOM 0 HA LYS A 27 92.821 -8.864 0.025 1.00 0.00 H new ATOM 0 HB2 LYS A 27 93.403 -8.521 2.995 1.00 0.00 H new ATOM 0 HB3 LYS A 27 94.132 -7.497 1.774 1.00 0.00 H new ATOM 0 HG2 LYS A 27 92.211 -6.242 2.210 1.00 0.00 H new ATOM 0 HG3 LYS A 27 91.593 -7.257 0.921 1.00 0.00 H new ATOM 0 HD2 LYS A 27 90.759 -8.903 2.652 1.00 0.00 H new ATOM 0 HD3 LYS A 27 91.323 -7.830 3.918 1.00 0.00 H new ATOM 0 HE2 LYS A 27 89.876 -5.992 2.669 1.00 0.00 H new ATOM 0 HE3 LYS A 27 89.088 -7.361 1.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 87.951 -6.718 3.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 88.607 -8.276 4.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 89.370 -6.950 4.852 1.00 0.00 H new ATOM 448 N ARG A 28 94.776 -11.002 1.475 1.00 0.00 N ATOM 449 CA ARG A 28 96.089 -11.694 1.359 1.00 0.00 C ATOM 450 C ARG A 28 96.187 -12.373 -0.007 1.00 0.00 C ATOM 451 O ARG A 28 97.205 -12.313 -0.669 1.00 0.00 O ATOM 452 CB ARG A 28 96.206 -12.748 2.461 1.00 0.00 C ATOM 453 CG ARG A 28 97.682 -13.035 2.739 1.00 0.00 C ATOM 454 CD ARG A 28 97.800 -14.182 3.745 1.00 0.00 C ATOM 455 NE ARG A 28 97.669 -15.484 3.032 1.00 0.00 N ATOM 456 CZ ARG A 28 98.210 -16.560 3.533 1.00 0.00 C ATOM 457 NH1 ARG A 28 98.095 -17.700 2.908 1.00 0.00 N ATOM 458 NH2 ARG A 28 98.865 -16.498 4.660 1.00 0.00 N ATOM 0 H ARG A 28 94.106 -11.449 2.101 1.00 0.00 H new ATOM 0 HA ARG A 28 96.895 -10.967 1.462 1.00 0.00 H new ATOM 0 HB2 ARG A 28 95.716 -12.396 3.369 1.00 0.00 H new ATOM 0 HB3 ARG A 28 95.697 -13.663 2.159 1.00 0.00 H new ATOM 0 HG2 ARG A 28 98.193 -13.296 1.812 1.00 0.00 H new ATOM 0 HG3 ARG A 28 98.169 -12.142 3.131 1.00 0.00 H new ATOM 0 HD2 ARG A 28 98.760 -14.132 4.259 1.00 0.00 H new ATOM 0 HD3 ARG A 28 97.025 -14.093 4.507 1.00 0.00 H new ATOM 0 HE ARG A 28 97.156 -15.534 2.152 1.00 0.00 H new ATOM 0 HH11 ARG A 28 97.582 -17.750 2.028 1.00 0.00 H new ATOM 0 HH12 ARG A 28 98.518 -18.541 3.300 1.00 0.00 H new ATOM 0 HH21 ARG A 28 98.954 -15.608 5.150 1.00 0.00 H new ATOM 0 HH22 ARG A 28 99.288 -17.340 5.051 1.00 0.00 H new ATOM 472 N LYS A 29 95.138 -13.023 -0.438 1.00 0.00 N ATOM 473 CA LYS A 29 95.181 -13.703 -1.762 1.00 0.00 C ATOM 474 C LYS A 29 95.196 -12.655 -2.878 1.00 0.00 C ATOM 475 O LYS A 29 95.794 -12.850 -3.916 1.00 0.00 O ATOM 476 CB LYS A 29 93.947 -14.596 -1.917 1.00 0.00 C ATOM 477 CG LYS A 29 94.090 -15.454 -3.177 1.00 0.00 C ATOM 478 CD LYS A 29 94.870 -16.728 -2.844 1.00 0.00 C ATOM 479 CE LYS A 29 94.920 -17.633 -4.076 1.00 0.00 C ATOM 480 NZ LYS A 29 96.078 -18.564 -3.962 1.00 0.00 N ATOM 0 H LYS A 29 94.257 -13.111 0.069 1.00 0.00 H new ATOM 0 HA LYS A 29 96.082 -14.313 -1.826 1.00 0.00 H new ATOM 0 HB2 LYS A 29 93.835 -15.234 -1.041 1.00 0.00 H new ATOM 0 HB3 LYS A 29 93.048 -13.983 -1.982 1.00 0.00 H new ATOM 0 HG2 LYS A 29 93.106 -15.710 -3.569 1.00 0.00 H new ATOM 0 HG3 LYS A 29 94.606 -14.892 -3.955 1.00 0.00 H new ATOM 0 HD2 LYS A 29 95.881 -16.475 -2.524 1.00 0.00 H new ATOM 0 HD3 LYS A 29 94.395 -17.251 -2.014 1.00 0.00 H new ATOM 0 HE2 LYS A 29 93.992 -18.199 -4.163 1.00 0.00 H new ATOM 0 HE3 LYS A 29 95.012 -17.030 -4.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 96.112 -19.180 -4.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 96.959 -18.016 -3.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 95.972 -19.148 -3.108 1.00 0.00 H new ATOM 494 N LEU A 30 94.538 -11.549 -2.671 1.00 0.00 N ATOM 495 CA LEU A 30 94.510 -10.492 -3.721 1.00 0.00 C ATOM 496 C LEU A 30 95.719 -9.582 -3.572 1.00 0.00 C ATOM 497 O LEU A 30 96.040 -8.793 -4.438 1.00 0.00 O ATOM 498 CB LEU A 30 93.223 -9.671 -3.602 1.00 0.00 C ATOM 499 CG LEU A 30 92.023 -10.614 -3.493 1.00 0.00 C ATOM 500 CD1 LEU A 30 90.770 -9.807 -3.148 1.00 0.00 C ATOM 501 CD2 LEU A 30 91.817 -11.330 -4.828 1.00 0.00 C ATOM 0 H LEU A 30 94.018 -11.331 -1.821 1.00 0.00 H new ATOM 0 HA LEU A 30 94.540 -10.966 -4.702 1.00 0.00 H new ATOM 0 HB2 LEU A 30 93.271 -9.024 -2.726 1.00 0.00 H new ATOM 0 HB3 LEU A 30 93.111 -9.022 -4.471 1.00 0.00 H new ATOM 0 HG LEU A 30 92.208 -11.350 -2.710 1.00 0.00 H new ATOM 0 HD11 LEU A 30 89.915 -10.478 -3.070 1.00 0.00 H new ATOM 0 HD12 LEU A 30 90.917 -9.295 -2.197 1.00 0.00 H new ATOM 0 HD13 LEU A 30 90.584 -9.072 -3.931 1.00 0.00 H new ATOM 0 HD21 LEU A 30 90.962 -12.002 -4.752 1.00 0.00 H new ATOM 0 HD22 LEU A 30 91.632 -10.594 -5.611 1.00 0.00 H new ATOM 0 HD23 LEU A 30 92.710 -11.905 -5.074 1.00 0.00 H new ATOM 513 N ALA A 31 96.379 -9.692 -2.473 1.00 0.00 N ATOM 514 CA ALA A 31 97.577 -8.843 -2.221 1.00 0.00 C ATOM 515 C ALA A 31 98.810 -9.476 -2.871 1.00 0.00 C ATOM 516 O ALA A 31 99.522 -8.841 -3.622 1.00 0.00 O ATOM 517 CB ALA A 31 97.805 -8.716 -0.714 1.00 0.00 C ATOM 0 H ALA A 31 96.145 -10.340 -1.721 1.00 0.00 H new ATOM 0 HA ALA A 31 97.412 -7.855 -2.651 1.00 0.00 H new ATOM 0 HB1 ALA A 31 98.682 -8.095 -0.530 1.00 0.00 H new ATOM 0 HB2 ALA A 31 96.931 -8.257 -0.251 1.00 0.00 H new ATOM 0 HB3 ALA A 31 97.965 -9.705 -0.286 1.00 0.00 H new ATOM 523 N ALA A 32 99.072 -10.721 -2.582 1.00 0.00 N ATOM 524 CA ALA A 32 100.264 -11.389 -3.180 1.00 0.00 C ATOM 525 C ALA A 32 100.382 -11.006 -4.655 1.00 0.00 C ATOM 526 O ALA A 32 101.425 -10.591 -5.119 1.00 0.00 O ATOM 527 CB ALA A 32 100.114 -12.906 -3.056 1.00 0.00 C ATOM 0 H ALA A 32 98.514 -11.304 -1.959 1.00 0.00 H new ATOM 0 HA ALA A 32 101.162 -11.068 -2.651 1.00 0.00 H new ATOM 0 HB1 ALA A 32 100.985 -13.395 -3.493 1.00 0.00 H new ATOM 0 HB2 ALA A 32 100.035 -13.179 -2.004 1.00 0.00 H new ATOM 0 HB3 ALA A 32 99.215 -13.227 -3.583 1.00 0.00 H new ATOM 533 N HIS A 33 99.320 -11.144 -5.395 1.00 0.00 N ATOM 534 CA HIS A 33 99.364 -10.790 -6.842 1.00 0.00 C ATOM 535 C HIS A 33 99.388 -9.268 -6.996 1.00 0.00 C ATOM 536 O HIS A 33 98.664 -8.703 -7.791 1.00 0.00 O ATOM 537 CB HIS A 33 98.126 -11.353 -7.543 1.00 0.00 C ATOM 538 CG HIS A 33 98.016 -12.826 -7.264 1.00 0.00 C ATOM 539 ND1 HIS A 33 97.849 -13.529 -6.096 1.00 0.00 N flip ATOM 540 CD2 HIS A 33 98.077 -13.777 -8.274 1.00 0.00 C flip ATOM 541 CE1 HIS A 33 97.808 -14.890 -6.376 1.00 0.00 C flip ATOM 542 NE2 HIS A 33 97.948 -14.987 -7.699 1.00 0.00 N flip ATOM 0 H HIS A 33 98.420 -11.488 -5.061 1.00 0.00 H new ATOM 0 HA HIS A 33 100.262 -11.215 -7.292 1.00 0.00 H new ATOM 0 HB2 HIS A 33 97.231 -10.838 -7.193 1.00 0.00 H new ATOM 0 HB3 HIS A 33 98.193 -11.180 -8.617 1.00 0.00 H new ATOM 0 HD2 HIS A 33 98.205 -13.581 -9.328 1.00 0.00 H new ATOM 0 HE1 HIS A 33 97.688 -15.699 -5.671 1.00 0.00 H new ATOM 0 HE2 HIS A 33 97.956 -15.869 -8.211 1.00 0.00 H new ATOM 550 N ASP A 34 100.213 -8.598 -6.238 1.00 0.00 N ATOM 551 CA ASP A 34 100.277 -7.112 -6.339 1.00 0.00 C ATOM 552 C ASP A 34 100.939 -6.712 -7.661 1.00 0.00 C ATOM 553 O ASP A 34 101.936 -7.276 -8.067 1.00 0.00 O ATOM 554 CB ASP A 34 101.094 -6.555 -5.171 1.00 0.00 C ATOM 555 CG ASP A 34 100.190 -6.371 -3.952 1.00 0.00 C ATOM 556 OD1 ASP A 34 100.696 -5.954 -2.922 1.00 0.00 O ATOM 557 OD2 ASP A 34 99.007 -6.649 -4.066 1.00 0.00 O ATOM 0 H ASP A 34 100.845 -9.015 -5.554 1.00 0.00 H new ATOM 0 HA ASP A 34 99.266 -6.705 -6.304 1.00 0.00 H new ATOM 0 HB2 ASP A 34 101.912 -7.234 -4.930 1.00 0.00 H new ATOM 0 HB3 ASP A 34 101.543 -5.602 -5.450 1.00 0.00 H new ATOM 562 N ASN A 35 100.388 -5.736 -8.329 1.00 0.00 N ATOM 563 CA ASN A 35 100.971 -5.281 -9.620 1.00 0.00 C ATOM 564 C ASN A 35 100.732 -3.777 -9.768 1.00 0.00 C ATOM 565 O ASN A 35 100.351 -3.298 -10.817 1.00 0.00 O ATOM 566 CB ASN A 35 100.296 -6.022 -10.777 1.00 0.00 C ATOM 567 CG ASN A 35 100.025 -7.471 -10.367 1.00 0.00 C ATOM 568 OD1 ASN A 35 100.940 -8.210 -10.064 1.00 0.00 O ATOM 569 ND2 ASN A 35 98.796 -7.911 -10.342 1.00 0.00 N ATOM 0 H ASN A 35 99.553 -5.231 -8.032 1.00 0.00 H new ATOM 0 HA ASN A 35 102.041 -5.490 -9.636 1.00 0.00 H new ATOM 0 HB2 ASN A 35 99.362 -5.528 -11.044 1.00 0.00 H new ATOM 0 HB3 ASN A 35 100.934 -5.996 -11.661 1.00 0.00 H new ATOM 0 HD21 ASN A 35 98.605 -8.875 -10.068 1.00 0.00 H new ATOM 0 HD22 ASN A 35 98.027 -7.291 -10.596 1.00 0.00 H new ATOM 576 N LEU A 36 100.931 -3.030 -8.715 1.00 0.00 N ATOM 577 CA LEU A 36 100.691 -1.562 -8.784 1.00 0.00 C ATOM 578 C LEU A 36 101.915 -0.833 -9.345 1.00 0.00 C ATOM 579 O LEU A 36 103.017 -1.355 -9.370 1.00 0.00 O ATOM 580 CB LEU A 36 100.375 -1.025 -7.381 1.00 0.00 C ATOM 581 CG LEU A 36 101.648 -0.990 -6.522 1.00 0.00 C ATOM 582 CD1 LEU A 36 101.617 0.239 -5.611 1.00 0.00 C ATOM 583 CD2 LEU A 36 101.723 -2.254 -5.661 1.00 0.00 C ATOM 0 H LEU A 36 101.250 -3.375 -7.810 1.00 0.00 H new ATOM 0 HA LEU A 36 99.846 -1.383 -9.449 1.00 0.00 H new ATOM 0 HB2 LEU A 36 99.951 -0.024 -7.455 1.00 0.00 H new ATOM 0 HB3 LEU A 36 99.624 -1.655 -6.904 1.00 0.00 H new ATOM 0 HG LEU A 36 102.520 -0.941 -7.174 1.00 0.00 H new ATOM 0 HD11 LEU A 36 102.521 0.263 -5.002 1.00 0.00 H new ATOM 0 HD12 LEU A 36 101.565 1.142 -6.220 1.00 0.00 H new ATOM 0 HD13 LEU A 36 100.743 0.189 -4.962 1.00 0.00 H new ATOM 0 HD21 LEU A 36 102.627 -2.227 -5.053 1.00 0.00 H new ATOM 0 HD22 LEU A 36 100.849 -2.304 -5.011 1.00 0.00 H new ATOM 0 HD23 LEU A 36 101.746 -3.133 -6.306 1.00 0.00 H new ATOM 595 N LYS A 37 101.717 0.384 -9.775 1.00 0.00 N ATOM 596 CA LYS A 37 102.841 1.192 -10.325 1.00 0.00 C ATOM 597 C LYS A 37 103.202 2.284 -9.316 1.00 0.00 C ATOM 598 O LYS A 37 102.353 2.789 -8.607 1.00 0.00 O ATOM 599 CB LYS A 37 102.403 1.841 -11.639 1.00 0.00 C ATOM 600 CG LYS A 37 103.598 2.536 -12.293 1.00 0.00 C ATOM 601 CD LYS A 37 103.102 3.486 -13.386 1.00 0.00 C ATOM 602 CE LYS A 37 102.792 4.853 -12.774 1.00 0.00 C ATOM 603 NZ LYS A 37 101.854 5.595 -13.664 1.00 0.00 N ATOM 0 H LYS A 37 100.813 0.857 -9.768 1.00 0.00 H new ATOM 0 HA LYS A 37 103.705 0.553 -10.507 1.00 0.00 H new ATOM 0 HB2 LYS A 37 101.997 1.085 -12.311 1.00 0.00 H new ATOM 0 HB3 LYS A 37 101.608 2.563 -11.452 1.00 0.00 H new ATOM 0 HG2 LYS A 37 104.164 3.090 -11.544 1.00 0.00 H new ATOM 0 HG3 LYS A 37 104.274 1.795 -12.720 1.00 0.00 H new ATOM 0 HD2 LYS A 37 103.858 3.588 -14.164 1.00 0.00 H new ATOM 0 HD3 LYS A 37 102.210 3.077 -13.860 1.00 0.00 H new ATOM 0 HE2 LYS A 37 102.350 4.729 -11.785 1.00 0.00 H new ATOM 0 HE3 LYS A 37 103.713 5.422 -12.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 101.643 6.525 -13.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 102.292 5.725 -14.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 100.972 5.054 -13.767 1.00 0.00 H new ATOM 617 N LEU A 38 104.450 2.648 -9.238 1.00 0.00 N ATOM 618 CA LEU A 38 104.856 3.701 -8.267 1.00 0.00 C ATOM 619 C LEU A 38 105.829 4.676 -8.929 1.00 0.00 C ATOM 620 O LEU A 38 106.893 4.298 -9.383 1.00 0.00 O ATOM 621 CB LEU A 38 105.539 3.050 -7.061 1.00 0.00 C ATOM 622 CG LEU A 38 104.653 1.931 -6.502 1.00 0.00 C ATOM 623 CD1 LEU A 38 105.014 0.598 -7.167 1.00 0.00 C ATOM 624 CD2 LEU A 38 104.870 1.817 -4.990 1.00 0.00 C ATOM 0 H LEU A 38 105.206 2.263 -9.804 1.00 0.00 H new ATOM 0 HA LEU A 38 103.968 4.243 -7.941 1.00 0.00 H new ATOM 0 HB2 LEU A 38 106.508 2.646 -7.355 1.00 0.00 H new ATOM 0 HB3 LEU A 38 105.726 3.798 -6.290 1.00 0.00 H new ATOM 0 HG LEU A 38 103.609 2.165 -6.708 1.00 0.00 H new ATOM 0 HD11 LEU A 38 104.380 -0.193 -6.765 1.00 0.00 H new ATOM 0 HD12 LEU A 38 104.859 0.675 -8.243 1.00 0.00 H new ATOM 0 HD13 LEU A 38 106.059 0.363 -6.966 1.00 0.00 H new ATOM 0 HD21 LEU A 38 104.241 1.022 -4.591 1.00 0.00 H new ATOM 0 HD22 LEU A 38 105.916 1.587 -4.789 1.00 0.00 H new ATOM 0 HD23 LEU A 38 104.608 2.761 -4.513 1.00 0.00 H new ATOM 636 N THR A 39 105.481 5.932 -8.971 1.00 0.00 N ATOM 637 CA THR A 39 106.393 6.937 -9.582 1.00 0.00 C ATOM 638 C THR A 39 107.277 7.515 -8.477 1.00 0.00 C ATOM 639 O THR A 39 106.834 8.306 -7.668 1.00 0.00 O ATOM 640 CB THR A 39 105.571 8.057 -10.224 1.00 0.00 C ATOM 641 OG1 THR A 39 104.558 7.488 -11.042 1.00 0.00 O ATOM 642 CG2 THR A 39 106.483 8.940 -11.078 1.00 0.00 C ATOM 0 H THR A 39 104.604 6.305 -8.608 1.00 0.00 H new ATOM 0 HA THR A 39 107.008 6.469 -10.351 1.00 0.00 H new ATOM 0 HB THR A 39 105.112 8.664 -9.443 1.00 0.00 H new ATOM 0 HG1 THR A 39 104.029 8.203 -11.453 1.00 0.00 H new ATOM 0 HG21 THR A 39 105.895 9.737 -11.534 1.00 0.00 H new ATOM 0 HG22 THR A 39 107.260 9.376 -10.450 1.00 0.00 H new ATOM 0 HG23 THR A 39 106.945 8.337 -11.860 1.00 0.00 H new ATOM 650 N ILE A 40 108.516 7.114 -8.421 1.00 0.00 N ATOM 651 CA ILE A 40 109.413 7.629 -7.350 1.00 0.00 C ATOM 652 C ILE A 40 110.264 8.784 -7.879 1.00 0.00 C ATOM 653 O ILE A 40 111.061 8.619 -8.782 1.00 0.00 O ATOM 654 CB ILE A 40 110.329 6.501 -6.866 1.00 0.00 C ATOM 655 CG1 ILE A 40 109.602 5.157 -6.999 1.00 0.00 C ATOM 656 CG2 ILE A 40 110.699 6.738 -5.400 1.00 0.00 C ATOM 657 CD1 ILE A 40 109.918 4.529 -8.359 1.00 0.00 C ATOM 0 H ILE A 40 108.945 6.454 -9.069 1.00 0.00 H new ATOM 0 HA ILE A 40 108.803 7.990 -6.522 1.00 0.00 H new ATOM 0 HB ILE A 40 111.235 6.485 -7.472 1.00 0.00 H new ATOM 0 HG12 ILE A 40 109.910 4.486 -6.198 1.00 0.00 H new ATOM 0 HG13 ILE A 40 108.527 5.303 -6.897 1.00 0.00 H new ATOM 0 HG21 ILE A 40 111.351 5.935 -5.055 1.00 0.00 H new ATOM 0 HG22 ILE A 40 111.217 7.692 -5.305 1.00 0.00 H new ATOM 0 HG23 ILE A 40 109.793 6.755 -4.794 1.00 0.00 H new ATOM 0 HD11 ILE A 40 109.399 3.575 -8.448 1.00 0.00 H new ATOM 0 HD12 ILE A 40 109.588 5.197 -9.154 1.00 0.00 H new ATOM 0 HD13 ILE A 40 110.993 4.367 -8.444 1.00 0.00 H new ATOM 669 N THR A 41 110.104 9.948 -7.310 1.00 0.00 N ATOM 670 CA THR A 41 110.903 11.121 -7.749 1.00 0.00 C ATOM 671 C THR A 41 111.714 11.633 -6.557 1.00 0.00 C ATOM 672 O THR A 41 111.321 11.471 -5.418 1.00 0.00 O ATOM 673 CB THR A 41 109.965 12.225 -8.244 1.00 0.00 C ATOM 674 OG1 THR A 41 108.814 11.637 -8.835 1.00 0.00 O ATOM 675 CG2 THR A 41 110.688 13.088 -9.279 1.00 0.00 C ATOM 0 H THR A 41 109.447 10.135 -6.553 1.00 0.00 H new ATOM 0 HA THR A 41 111.573 10.834 -8.560 1.00 0.00 H new ATOM 0 HB THR A 41 109.664 12.849 -7.403 1.00 0.00 H new ATOM 0 HG1 THR A 41 108.212 12.343 -9.151 1.00 0.00 H new ATOM 0 HG21 THR A 41 110.018 13.873 -9.630 1.00 0.00 H new ATOM 0 HG22 THR A 41 111.570 13.540 -8.824 1.00 0.00 H new ATOM 0 HG23 THR A 41 110.992 12.467 -10.122 1.00 0.00 H new ATOM 683 N GLN A 42 112.841 12.240 -6.801 1.00 0.00 N ATOM 684 CA GLN A 42 113.670 12.748 -5.667 1.00 0.00 C ATOM 685 C GLN A 42 114.041 14.212 -5.911 1.00 0.00 C ATOM 686 O GLN A 42 114.238 14.633 -7.033 1.00 0.00 O ATOM 687 CB GLN A 42 114.947 11.911 -5.557 1.00 0.00 C ATOM 688 CG GLN A 42 115.908 12.570 -4.565 1.00 0.00 C ATOM 689 CD GLN A 42 117.081 11.629 -4.288 1.00 0.00 C ATOM 690 OE1 GLN A 42 117.122 10.525 -4.794 1.00 0.00 O ATOM 691 NE2 GLN A 42 118.044 12.021 -3.499 1.00 0.00 N ATOM 0 H GLN A 42 113.225 12.407 -7.731 1.00 0.00 H new ATOM 0 HA GLN A 42 113.100 12.671 -4.741 1.00 0.00 H new ATOM 0 HB2 GLN A 42 114.705 10.901 -5.228 1.00 0.00 H new ATOM 0 HB3 GLN A 42 115.421 11.822 -6.534 1.00 0.00 H new ATOM 0 HG2 GLN A 42 116.273 13.514 -4.969 1.00 0.00 H new ATOM 0 HG3 GLN A 42 115.386 12.801 -3.636 1.00 0.00 H new ATOM 0 HE21 GLN A 42 118.010 12.948 -3.074 1.00 0.00 H new ATOM 0 HE22 GLN A 42 118.831 11.401 -3.307 1.00 0.00 H new ATOM 700 N GLU A 43 114.144 14.994 -4.867 1.00 0.00 N ATOM 701 CA GLU A 43 114.511 16.426 -5.046 1.00 0.00 C ATOM 702 C GLU A 43 115.373 16.881 -3.865 1.00 0.00 C ATOM 703 O GLU A 43 114.900 17.526 -2.950 1.00 0.00 O ATOM 704 CB GLU A 43 113.239 17.279 -5.112 1.00 0.00 C ATOM 705 CG GLU A 43 112.828 17.477 -6.574 1.00 0.00 C ATOM 706 CD GLU A 43 113.628 18.632 -7.177 1.00 0.00 C ATOM 707 OE1 GLU A 43 113.748 19.652 -6.518 1.00 0.00 O ATOM 708 OE2 GLU A 43 114.108 18.478 -8.289 1.00 0.00 O ATOM 0 H GLU A 43 113.990 14.702 -3.902 1.00 0.00 H new ATOM 0 HA GLU A 43 115.072 16.544 -5.973 1.00 0.00 H new ATOM 0 HB2 GLU A 43 112.434 16.793 -4.560 1.00 0.00 H new ATOM 0 HB3 GLU A 43 113.412 18.245 -4.638 1.00 0.00 H new ATOM 0 HG2 GLU A 43 113.006 16.563 -7.140 1.00 0.00 H new ATOM 0 HG3 GLU A 43 111.760 17.688 -6.637 1.00 0.00 H new ATOM 715 N GLY A 44 116.635 16.552 -3.882 1.00 0.00 N ATOM 716 CA GLY A 44 117.532 16.967 -2.767 1.00 0.00 C ATOM 717 C GLY A 44 117.106 16.277 -1.468 1.00 0.00 C ATOM 718 O GLY A 44 117.531 15.180 -1.168 1.00 0.00 O ATOM 0 H GLY A 44 117.085 16.012 -4.622 1.00 0.00 H new ATOM 0 HA2 GLY A 44 118.564 16.709 -3.004 1.00 0.00 H new ATOM 0 HA3 GLY A 44 117.495 18.049 -2.643 1.00 0.00 H new ATOM 722 N ASN A 45 116.276 16.921 -0.691 1.00 0.00 N ATOM 723 CA ASN A 45 115.825 16.316 0.597 1.00 0.00 C ATOM 724 C ASN A 45 114.302 16.203 0.609 1.00 0.00 C ATOM 725 O ASN A 45 113.675 16.227 1.650 1.00 0.00 O ATOM 726 CB ASN A 45 116.289 17.189 1.768 1.00 0.00 C ATOM 727 CG ASN A 45 116.525 18.619 1.279 1.00 0.00 C ATOM 728 OD1 ASN A 45 117.268 18.838 0.343 1.00 0.00 O ATOM 729 ND2 ASN A 45 115.919 19.609 1.877 1.00 0.00 N ATOM 0 H ASN A 45 115.890 17.843 -0.893 1.00 0.00 H new ATOM 0 HA ASN A 45 116.258 15.321 0.697 1.00 0.00 H new ATOM 0 HB2 ASN A 45 115.539 17.183 2.559 1.00 0.00 H new ATOM 0 HB3 ASN A 45 117.206 16.784 2.196 1.00 0.00 H new ATOM 0 HD21 ASN A 45 116.069 20.566 1.558 1.00 0.00 H new ATOM 0 HD22 ASN A 45 115.295 19.425 2.663 1.00 0.00 H new ATOM 736 N LYS A 46 113.700 16.065 -0.538 1.00 0.00 N ATOM 737 CA LYS A 46 112.232 15.934 -0.594 1.00 0.00 C ATOM 738 C LYS A 46 111.892 15.003 -1.746 1.00 0.00 C ATOM 739 O LYS A 46 112.046 15.329 -2.905 1.00 0.00 O ATOM 740 CB LYS A 46 111.594 17.306 -0.834 1.00 0.00 C ATOM 741 CG LYS A 46 111.426 18.052 0.500 1.00 0.00 C ATOM 742 CD LYS A 46 112.245 19.344 0.474 1.00 0.00 C ATOM 743 CE LYS A 46 111.848 20.224 1.662 1.00 0.00 C ATOM 744 NZ LYS A 46 112.669 21.468 1.655 1.00 0.00 N ATOM 0 H LYS A 46 114.172 16.038 -1.442 1.00 0.00 H new ATOM 0 HA LYS A 46 111.851 15.535 0.346 1.00 0.00 H new ATOM 0 HB2 LYS A 46 112.216 17.891 -1.511 1.00 0.00 H new ATOM 0 HB3 LYS A 46 110.624 17.185 -1.317 1.00 0.00 H new ATOM 0 HG2 LYS A 46 110.374 18.280 0.670 1.00 0.00 H new ATOM 0 HG3 LYS A 46 111.753 17.419 1.325 1.00 0.00 H new ATOM 0 HD2 LYS A 46 113.309 19.113 0.518 1.00 0.00 H new ATOM 0 HD3 LYS A 46 112.073 19.877 -0.461 1.00 0.00 H new ATOM 0 HE2 LYS A 46 110.789 20.474 1.605 1.00 0.00 H new ATOM 0 HE3 LYS A 46 111.998 19.682 2.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 112.400 22.066 2.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 113.676 21.220 1.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 112.505 21.987 0.769 1.00 0.00 H new ATOM 758 N PHE A 47 111.439 13.845 -1.416 1.00 0.00 N ATOM 759 CA PHE A 47 111.081 12.843 -2.454 1.00 0.00 C ATOM 760 C PHE A 47 109.579 12.898 -2.729 1.00 0.00 C ATOM 761 O PHE A 47 108.839 13.597 -2.063 1.00 0.00 O ATOM 762 CB PHE A 47 111.462 11.445 -1.965 1.00 0.00 C ATOM 763 CG PHE A 47 112.966 11.325 -1.890 1.00 0.00 C ATOM 764 CD1 PHE A 47 113.687 12.086 -0.960 1.00 0.00 C ATOM 765 CD2 PHE A 47 113.642 10.450 -2.749 1.00 0.00 C ATOM 766 CE1 PHE A 47 115.081 11.973 -0.891 1.00 0.00 C ATOM 767 CE2 PHE A 47 115.036 10.337 -2.681 1.00 0.00 C ATOM 768 CZ PHE A 47 115.755 11.098 -1.751 1.00 0.00 C ATOM 0 H PHE A 47 111.295 13.535 -0.455 1.00 0.00 H new ATOM 0 HA PHE A 47 111.622 13.067 -3.373 1.00 0.00 H new ATOM 0 HB2 PHE A 47 111.023 11.260 -0.984 1.00 0.00 H new ATOM 0 HB3 PHE A 47 111.060 10.690 -2.641 1.00 0.00 H new ATOM 0 HD1 PHE A 47 113.167 12.760 -0.296 1.00 0.00 H new ATOM 0 HD2 PHE A 47 113.088 9.861 -3.465 1.00 0.00 H new ATOM 0 HE1 PHE A 47 115.636 12.561 -0.175 1.00 0.00 H new ATOM 0 HE2 PHE A 47 115.556 9.663 -3.346 1.00 0.00 H new ATOM 0 HZ PHE A 47 116.830 11.010 -1.697 1.00 0.00 H new ATOM 778 N THR A 48 109.122 12.163 -3.705 1.00 0.00 N ATOM 779 CA THR A 48 107.676 12.164 -4.029 1.00 0.00 C ATOM 780 C THR A 48 107.319 10.831 -4.680 1.00 0.00 C ATOM 781 O THR A 48 107.611 10.589 -5.834 1.00 0.00 O ATOM 782 CB THR A 48 107.374 13.304 -5.002 1.00 0.00 C ATOM 783 OG1 THR A 48 107.754 14.539 -4.414 1.00 0.00 O ATOM 784 CG2 THR A 48 105.879 13.324 -5.321 1.00 0.00 C ATOM 0 H THR A 48 109.696 11.559 -4.294 1.00 0.00 H new ATOM 0 HA THR A 48 107.090 12.302 -3.120 1.00 0.00 H new ATOM 0 HB THR A 48 107.935 13.154 -5.924 1.00 0.00 H new ATOM 0 HG1 THR A 48 107.563 15.271 -5.037 1.00 0.00 H new ATOM 0 HG21 THR A 48 105.666 14.137 -6.015 1.00 0.00 H new ATOM 0 HG22 THR A 48 105.591 12.376 -5.774 1.00 0.00 H new ATOM 0 HG23 THR A 48 105.313 13.473 -4.402 1.00 0.00 H new ATOM 792 N VAL A 49 106.688 9.969 -3.944 1.00 0.00 N ATOM 793 CA VAL A 49 106.304 8.644 -4.501 1.00 0.00 C ATOM 794 C VAL A 49 104.821 8.661 -4.874 1.00 0.00 C ATOM 795 O VAL A 49 103.958 8.746 -4.023 1.00 0.00 O ATOM 796 CB VAL A 49 106.555 7.558 -3.454 1.00 0.00 C ATOM 797 CG1 VAL A 49 106.660 6.197 -4.145 1.00 0.00 C ATOM 798 CG2 VAL A 49 107.861 7.855 -2.714 1.00 0.00 C ATOM 0 H VAL A 49 106.418 10.124 -2.973 1.00 0.00 H new ATOM 0 HA VAL A 49 106.900 8.435 -5.389 1.00 0.00 H new ATOM 0 HB VAL A 49 105.729 7.542 -2.743 1.00 0.00 H new ATOM 0 HG11 VAL A 49 106.839 5.423 -3.399 1.00 0.00 H new ATOM 0 HG12 VAL A 49 105.730 5.984 -4.673 1.00 0.00 H new ATOM 0 HG13 VAL A 49 107.486 6.213 -4.856 1.00 0.00 H new ATOM 0 HG21 VAL A 49 108.040 7.081 -1.968 1.00 0.00 H new ATOM 0 HG22 VAL A 49 108.687 7.871 -3.425 1.00 0.00 H new ATOM 0 HG23 VAL A 49 107.788 8.824 -2.221 1.00 0.00 H new ATOM 808 N LYS A 50 104.518 8.582 -6.141 1.00 0.00 N ATOM 809 CA LYS A 50 103.090 8.594 -6.564 1.00 0.00 C ATOM 810 C LYS A 50 102.636 7.164 -6.861 1.00 0.00 C ATOM 811 O LYS A 50 102.909 6.621 -7.914 1.00 0.00 O ATOM 812 CB LYS A 50 102.940 9.454 -7.824 1.00 0.00 C ATOM 813 CG LYS A 50 101.600 10.197 -7.783 1.00 0.00 C ATOM 814 CD LYS A 50 101.292 10.782 -9.165 1.00 0.00 C ATOM 815 CE LYS A 50 100.403 9.811 -9.948 1.00 0.00 C ATOM 816 NZ LYS A 50 101.012 8.452 -9.928 1.00 0.00 N ATOM 0 H LYS A 50 105.196 8.510 -6.899 1.00 0.00 H new ATOM 0 HA LYS A 50 102.475 9.010 -5.766 1.00 0.00 H new ATOM 0 HB2 LYS A 50 103.761 10.168 -7.889 1.00 0.00 H new ATOM 0 HB3 LYS A 50 102.992 8.826 -8.713 1.00 0.00 H new ATOM 0 HG2 LYS A 50 100.805 9.516 -7.480 1.00 0.00 H new ATOM 0 HG3 LYS A 50 101.637 10.994 -7.040 1.00 0.00 H new ATOM 0 HD2 LYS A 50 100.792 11.745 -9.060 1.00 0.00 H new ATOM 0 HD3 LYS A 50 102.219 10.962 -9.710 1.00 0.00 H new ATOM 0 HE2 LYS A 50 99.406 9.780 -9.509 1.00 0.00 H new ATOM 0 HE3 LYS A 50 100.289 10.155 -10.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 100.417 7.797 -10.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 101.962 8.491 -10.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 101.083 8.118 -8.946 1.00 0.00 H new ATOM 830 N GLU A 51 101.940 6.547 -5.944 1.00 0.00 N ATOM 831 CA GLU A 51 101.469 5.154 -6.181 1.00 0.00 C ATOM 832 C GLU A 51 100.334 5.175 -7.203 1.00 0.00 C ATOM 833 O GLU A 51 99.646 6.165 -7.358 1.00 0.00 O ATOM 834 CB GLU A 51 100.964 4.552 -4.870 1.00 0.00 C ATOM 835 CG GLU A 51 102.080 4.592 -3.824 1.00 0.00 C ATOM 836 CD GLU A 51 102.068 5.948 -3.114 1.00 0.00 C ATOM 837 OE1 GLU A 51 102.565 6.901 -3.692 1.00 0.00 O ATOM 838 OE2 GLU A 51 101.562 6.010 -2.007 1.00 0.00 O ATOM 0 H GLU A 51 101.678 6.947 -5.043 1.00 0.00 H new ATOM 0 HA GLU A 51 102.293 4.550 -6.560 1.00 0.00 H new ATOM 0 HB2 GLU A 51 100.097 5.108 -4.513 1.00 0.00 H new ATOM 0 HB3 GLU A 51 100.639 3.524 -5.031 1.00 0.00 H new ATOM 0 HG2 GLU A 51 101.942 3.789 -3.100 1.00 0.00 H new ATOM 0 HG3 GLU A 51 103.046 4.428 -4.301 1.00 0.00 H new ATOM 845 N SER A 52 100.118 4.089 -7.893 1.00 0.00 N ATOM 846 CA SER A 52 99.024 4.050 -8.887 1.00 0.00 C ATOM 847 C SER A 52 98.658 2.601 -9.159 1.00 0.00 C ATOM 848 O SER A 52 99.368 1.870 -9.822 1.00 0.00 O ATOM 849 CB SER A 52 99.483 4.719 -10.182 1.00 0.00 C ATOM 850 OG SER A 52 100.339 5.810 -9.869 1.00 0.00 O ATOM 0 H SER A 52 100.657 3.227 -7.806 1.00 0.00 H new ATOM 0 HA SER A 52 98.155 4.583 -8.502 1.00 0.00 H new ATOM 0 HB2 SER A 52 100.007 3.999 -10.811 1.00 0.00 H new ATOM 0 HB3 SER A 52 98.621 5.069 -10.749 1.00 0.00 H new ATOM 0 HG SER A 52 99.997 6.278 -9.079 1.00 0.00 H new ATOM 856 N SER A 53 97.539 2.197 -8.654 1.00 0.00 N ATOM 857 CA SER A 53 97.066 0.810 -8.864 1.00 0.00 C ATOM 858 C SER A 53 95.615 0.863 -9.339 1.00 0.00 C ATOM 859 O SER A 53 94.847 1.705 -8.918 1.00 0.00 O ATOM 860 CB SER A 53 97.149 0.034 -7.547 1.00 0.00 C ATOM 861 OG SER A 53 97.572 -1.296 -7.812 1.00 0.00 O ATOM 0 H SER A 53 96.918 2.780 -8.093 1.00 0.00 H new ATOM 0 HA SER A 53 97.686 0.310 -9.608 1.00 0.00 H new ATOM 0 HB2 SER A 53 97.848 0.522 -6.868 1.00 0.00 H new ATOM 0 HB3 SER A 53 96.177 0.027 -7.054 1.00 0.00 H new ATOM 0 HG SER A 53 96.791 -1.856 -8.001 1.00 0.00 H new ATOM 867 N ALA A 54 95.228 -0.023 -10.208 1.00 0.00 N ATOM 868 CA ALA A 54 93.822 -0.009 -10.696 1.00 0.00 C ATOM 869 C ALA A 54 92.873 -0.176 -9.507 1.00 0.00 C ATOM 870 O ALA A 54 91.684 -0.359 -9.675 1.00 0.00 O ATOM 871 CB ALA A 54 93.613 -1.161 -11.682 1.00 0.00 C ATOM 0 H ALA A 54 95.820 -0.754 -10.601 1.00 0.00 H new ATOM 0 HA ALA A 54 93.618 0.938 -11.196 1.00 0.00 H new ATOM 0 HB1 ALA A 54 92.583 -1.151 -12.040 1.00 0.00 H new ATOM 0 HB2 ALA A 54 94.292 -1.045 -12.527 1.00 0.00 H new ATOM 0 HB3 ALA A 54 93.815 -2.109 -11.182 1.00 0.00 H new ATOM 877 N PHE A 55 93.391 -0.136 -8.305 1.00 0.00 N ATOM 878 CA PHE A 55 92.517 -0.317 -7.113 1.00 0.00 C ATOM 879 C PHE A 55 92.504 0.940 -6.231 1.00 0.00 C ATOM 880 O PHE A 55 91.604 1.118 -5.437 1.00 0.00 O ATOM 881 CB PHE A 55 93.031 -1.503 -6.292 1.00 0.00 C ATOM 882 CG PHE A 55 93.751 -2.470 -7.200 1.00 0.00 C ATOM 883 CD1 PHE A 55 95.123 -2.696 -7.035 1.00 0.00 C ATOM 884 CD2 PHE A 55 93.047 -3.142 -8.207 1.00 0.00 C ATOM 885 CE1 PHE A 55 95.791 -3.593 -7.877 1.00 0.00 C ATOM 886 CE2 PHE A 55 93.715 -4.039 -9.049 1.00 0.00 C ATOM 887 CZ PHE A 55 95.087 -4.265 -8.884 1.00 0.00 C ATOM 0 H PHE A 55 94.379 0.014 -8.101 1.00 0.00 H new ATOM 0 HA PHE A 55 91.500 -0.501 -7.458 1.00 0.00 H new ATOM 0 HB2 PHE A 55 93.704 -1.153 -5.509 1.00 0.00 H new ATOM 0 HB3 PHE A 55 92.199 -2.004 -5.796 1.00 0.00 H new ATOM 0 HD1 PHE A 55 95.666 -2.178 -6.258 1.00 0.00 H new ATOM 0 HD2 PHE A 55 91.989 -2.968 -8.334 1.00 0.00 H new ATOM 0 HE1 PHE A 55 96.849 -3.767 -7.750 1.00 0.00 H new ATOM 0 HE2 PHE A 55 93.172 -4.557 -9.826 1.00 0.00 H new ATOM 0 HZ PHE A 55 95.602 -4.957 -9.533 1.00 0.00 H new ATOM 897 N ARG A 56 93.478 1.814 -6.346 1.00 0.00 N ATOM 898 CA ARG A 56 93.471 3.032 -5.484 1.00 0.00 C ATOM 899 C ARG A 56 94.827 3.728 -5.571 1.00 0.00 C ATOM 900 O ARG A 56 95.699 3.518 -4.751 1.00 0.00 O ATOM 901 CB ARG A 56 93.203 2.649 -4.022 1.00 0.00 C ATOM 902 CG ARG A 56 94.064 1.443 -3.626 1.00 0.00 C ATOM 903 CD ARG A 56 93.266 0.524 -2.699 1.00 0.00 C ATOM 904 NE ARG A 56 94.118 -0.629 -2.289 1.00 0.00 N ATOM 905 CZ ARG A 56 93.581 -1.659 -1.696 1.00 0.00 C ATOM 906 NH1 ARG A 56 94.327 -2.667 -1.336 1.00 0.00 N ATOM 907 NH2 ARG A 56 92.296 -1.682 -1.463 1.00 0.00 N ATOM 0 H ARG A 56 94.265 1.736 -6.990 1.00 0.00 H new ATOM 0 HA ARG A 56 92.684 3.700 -5.832 1.00 0.00 H new ATOM 0 HB2 ARG A 56 93.425 3.494 -3.370 1.00 0.00 H new ATOM 0 HB3 ARG A 56 92.148 2.412 -3.888 1.00 0.00 H new ATOM 0 HG2 ARG A 56 94.374 0.897 -4.517 1.00 0.00 H new ATOM 0 HG3 ARG A 56 94.972 1.780 -3.126 1.00 0.00 H new ATOM 0 HD2 ARG A 56 92.934 1.076 -1.819 1.00 0.00 H new ATOM 0 HD3 ARG A 56 92.371 0.166 -3.207 1.00 0.00 H new ATOM 0 HE ARG A 56 95.121 -0.612 -2.472 1.00 0.00 H new ATOM 0 HH11 ARG A 56 95.330 -2.650 -1.518 1.00 0.00 H new ATOM 0 HH12 ARG A 56 93.907 -3.472 -0.872 1.00 0.00 H new ATOM 0 HH21 ARG A 56 91.712 -0.894 -1.745 1.00 0.00 H new ATOM 0 HH22 ARG A 56 91.876 -2.488 -0.999 1.00 0.00 H new ATOM 921 N ASN A 57 95.010 4.553 -6.557 1.00 0.00 N ATOM 922 CA ASN A 57 96.311 5.264 -6.699 1.00 0.00 C ATOM 923 C ASN A 57 96.531 6.174 -5.489 1.00 0.00 C ATOM 924 O ASN A 57 95.603 6.748 -4.955 1.00 0.00 O ATOM 925 CB ASN A 57 96.291 6.110 -7.975 1.00 0.00 C ATOM 926 CG ASN A 57 95.181 7.157 -7.876 1.00 0.00 C ATOM 927 OD1 ASN A 57 94.205 6.962 -7.177 1.00 0.00 O ATOM 928 ND2 ASN A 57 95.286 8.269 -8.551 1.00 0.00 N ATOM 0 H ASN A 57 94.316 4.768 -7.273 1.00 0.00 H new ATOM 0 HA ASN A 57 97.119 4.535 -6.757 1.00 0.00 H new ATOM 0 HB2 ASN A 57 97.255 6.599 -8.115 1.00 0.00 H new ATOM 0 HB3 ASN A 57 96.128 5.473 -8.844 1.00 0.00 H new ATOM 0 HD21 ASN A 57 94.550 8.973 -8.492 1.00 0.00 H new ATOM 0 HD22 ASN A 57 96.104 8.434 -9.138 1.00 0.00 H new ATOM 935 N ILE A 58 97.754 6.299 -5.045 1.00 0.00 N ATOM 936 CA ILE A 58 98.037 7.157 -3.862 1.00 0.00 C ATOM 937 C ILE A 58 99.274 8.012 -4.116 1.00 0.00 C ATOM 938 O ILE A 58 99.958 7.874 -5.112 1.00 0.00 O ATOM 939 CB ILE A 58 98.297 6.293 -2.638 1.00 0.00 C ATOM 940 CG1 ILE A 58 97.453 5.025 -2.707 1.00 0.00 C ATOM 941 CG2 ILE A 58 97.936 7.073 -1.367 1.00 0.00 C ATOM 942 CD1 ILE A 58 97.468 4.361 -1.336 1.00 0.00 C ATOM 0 H ILE A 58 98.569 5.842 -5.453 1.00 0.00 H new ATOM 0 HA ILE A 58 97.171 7.796 -3.691 1.00 0.00 H new ATOM 0 HB ILE A 58 99.353 6.024 -2.614 1.00 0.00 H new ATOM 0 HG12 ILE A 58 96.431 5.265 -3.001 1.00 0.00 H new ATOM 0 HG13 ILE A 58 97.850 4.346 -3.461 1.00 0.00 H new ATOM 0 HG21 ILE A 58 98.124 6.450 -0.492 1.00 0.00 H new ATOM 0 HG22 ILE A 58 98.545 7.975 -1.308 1.00 0.00 H new ATOM 0 HG23 ILE A 58 96.882 7.349 -1.396 1.00 0.00 H new ATOM 0 HD11 ILE A 58 96.869 3.451 -1.366 1.00 0.00 H new ATOM 0 HD12 ILE A 58 98.494 4.111 -1.064 1.00 0.00 H new ATOM 0 HD13 ILE A 58 97.053 5.045 -0.596 1.00 0.00 H new ATOM 954 N GLU A 59 99.560 8.891 -3.204 1.00 0.00 N ATOM 955 CA GLU A 59 100.751 9.773 -3.345 1.00 0.00 C ATOM 956 C GLU A 59 101.217 10.206 -1.957 1.00 0.00 C ATOM 957 O GLU A 59 100.422 10.450 -1.071 1.00 0.00 O ATOM 958 CB GLU A 59 100.382 11.004 -4.177 1.00 0.00 C ATOM 959 CG GLU A 59 99.692 12.041 -3.287 1.00 0.00 C ATOM 960 CD GLU A 59 98.831 12.965 -4.150 1.00 0.00 C ATOM 961 OE1 GLU A 59 99.328 13.433 -5.161 1.00 0.00 O ATOM 962 OE2 GLU A 59 97.687 13.188 -3.786 1.00 0.00 O ATOM 0 H GLU A 59 99.014 9.040 -2.355 1.00 0.00 H new ATOM 0 HA GLU A 59 101.554 9.233 -3.847 1.00 0.00 H new ATOM 0 HB2 GLU A 59 101.278 11.434 -4.625 1.00 0.00 H new ATOM 0 HB3 GLU A 59 99.722 10.717 -4.996 1.00 0.00 H new ATOM 0 HG2 GLU A 59 99.073 11.541 -2.542 1.00 0.00 H new ATOM 0 HG3 GLU A 59 100.437 12.623 -2.744 1.00 0.00 H new ATOM 969 N CYS A 60 102.500 10.296 -1.757 1.00 0.00 N ATOM 970 CA CYS A 60 103.014 10.706 -0.421 1.00 0.00 C ATOM 971 C CYS A 60 104.444 11.228 -0.561 1.00 0.00 C ATOM 972 O CYS A 60 105.287 10.602 -1.175 1.00 0.00 O ATOM 973 CB CYS A 60 103.009 9.496 0.518 1.00 0.00 C ATOM 974 SG CYS A 60 101.457 9.451 1.448 1.00 0.00 S ATOM 0 H CYS A 60 103.215 10.104 -2.459 1.00 0.00 H new ATOM 0 HA CYS A 60 102.377 11.491 -0.013 1.00 0.00 H new ATOM 0 HB2 CYS A 60 103.126 8.577 -0.057 1.00 0.00 H new ATOM 0 HB3 CYS A 60 103.854 9.553 1.204 1.00 0.00 H new ATOM 980 N VAL A 61 104.729 12.363 0.012 1.00 0.00 N ATOM 981 CA VAL A 61 106.106 12.908 -0.078 1.00 0.00 C ATOM 982 C VAL A 61 107.004 12.114 0.863 1.00 0.00 C ATOM 983 O VAL A 61 106.536 11.400 1.728 1.00 0.00 O ATOM 984 CB VAL A 61 106.102 14.382 0.327 1.00 0.00 C ATOM 985 CG1 VAL A 61 105.103 14.597 1.466 1.00 0.00 C ATOM 986 CG2 VAL A 61 107.501 14.802 0.790 1.00 0.00 C ATOM 0 H VAL A 61 104.067 12.934 0.537 1.00 0.00 H new ATOM 0 HA VAL A 61 106.476 12.826 -1.100 1.00 0.00 H new ATOM 0 HB VAL A 61 105.813 14.987 -0.533 1.00 0.00 H new ATOM 0 HG11 VAL A 61 105.101 15.648 1.754 1.00 0.00 H new ATOM 0 HG12 VAL A 61 104.105 14.310 1.134 1.00 0.00 H new ATOM 0 HG13 VAL A 61 105.390 13.987 2.322 1.00 0.00 H new ATOM 0 HG21 VAL A 61 107.489 15.854 1.077 1.00 0.00 H new ATOM 0 HG22 VAL A 61 107.798 14.196 1.646 1.00 0.00 H new ATOM 0 HG23 VAL A 61 108.212 14.656 -0.023 1.00 0.00 H new ATOM 996 N PHE A 62 108.288 12.227 0.705 1.00 0.00 N ATOM 997 CA PHE A 62 109.203 11.469 1.599 1.00 0.00 C ATOM 998 C PHE A 62 110.495 12.259 1.818 1.00 0.00 C ATOM 999 O PHE A 62 111.243 12.522 0.900 1.00 0.00 O ATOM 1000 CB PHE A 62 109.514 10.099 0.974 1.00 0.00 C ATOM 1001 CG PHE A 62 110.953 9.713 1.245 1.00 0.00 C ATOM 1002 CD1 PHE A 62 111.500 9.894 2.523 1.00 0.00 C ATOM 1003 CD2 PHE A 62 111.742 9.182 0.217 1.00 0.00 C ATOM 1004 CE1 PHE A 62 112.831 9.546 2.771 1.00 0.00 C ATOM 1005 CE2 PHE A 62 113.074 8.831 0.466 1.00 0.00 C ATOM 1006 CZ PHE A 62 113.618 9.014 1.743 1.00 0.00 C ATOM 0 H PHE A 62 108.744 12.807 0.001 1.00 0.00 H new ATOM 0 HA PHE A 62 108.721 11.318 2.565 1.00 0.00 H new ATOM 0 HB2 PHE A 62 108.844 9.344 1.385 1.00 0.00 H new ATOM 0 HB3 PHE A 62 109.336 10.133 -0.101 1.00 0.00 H new ATOM 0 HD1 PHE A 62 110.892 10.303 3.317 1.00 0.00 H new ATOM 0 HD2 PHE A 62 111.323 9.043 -0.768 1.00 0.00 H new ATOM 0 HE1 PHE A 62 113.252 9.688 3.755 1.00 0.00 H new ATOM 0 HE2 PHE A 62 113.682 8.419 -0.326 1.00 0.00 H new ATOM 0 HZ PHE A 62 114.646 8.744 1.935 1.00 0.00 H new ATOM 1016 N GLU A 63 110.768 12.614 3.043 1.00 0.00 N ATOM 1017 CA GLU A 63 112.017 13.363 3.353 1.00 0.00 C ATOM 1018 C GLU A 63 112.716 12.665 4.520 1.00 0.00 C ATOM 1019 O GLU A 63 112.078 12.107 5.388 1.00 0.00 O ATOM 1020 CB GLU A 63 111.672 14.802 3.744 1.00 0.00 C ATOM 1021 CG GLU A 63 112.916 15.489 4.310 1.00 0.00 C ATOM 1022 CD GLU A 63 112.732 17.007 4.253 1.00 0.00 C ATOM 1023 OE1 GLU A 63 111.621 17.458 4.479 1.00 0.00 O ATOM 1024 OE2 GLU A 63 113.705 17.692 3.985 1.00 0.00 O ATOM 0 H GLU A 63 110.174 12.415 3.848 1.00 0.00 H new ATOM 0 HA GLU A 63 112.670 13.384 2.481 1.00 0.00 H new ATOM 0 HB2 GLU A 63 111.305 15.348 2.875 1.00 0.00 H new ATOM 0 HB3 GLU A 63 110.872 14.807 4.484 1.00 0.00 H new ATOM 0 HG2 GLU A 63 113.084 15.171 5.339 1.00 0.00 H new ATOM 0 HG3 GLU A 63 113.797 15.197 3.739 1.00 0.00 H new ATOM 1031 N LEU A 64 114.018 12.677 4.553 1.00 0.00 N ATOM 1032 CA LEU A 64 114.724 11.997 5.674 1.00 0.00 C ATOM 1033 C LEU A 64 115.063 13.017 6.760 1.00 0.00 C ATOM 1034 O LEU A 64 115.609 14.069 6.494 1.00 0.00 O ATOM 1035 CB LEU A 64 116.003 11.337 5.156 1.00 0.00 C ATOM 1036 CG LEU A 64 116.891 12.384 4.479 1.00 0.00 C ATOM 1037 CD1 LEU A 64 117.977 12.841 5.454 1.00 0.00 C ATOM 1038 CD2 LEU A 64 117.545 11.766 3.240 1.00 0.00 C ATOM 0 H LEU A 64 114.619 13.123 3.860 1.00 0.00 H new ATOM 0 HA LEU A 64 114.076 11.229 6.096 1.00 0.00 H new ATOM 0 HB2 LEU A 64 116.541 10.869 5.980 1.00 0.00 H new ATOM 0 HB3 LEU A 64 115.754 10.546 4.448 1.00 0.00 H new ATOM 0 HG LEU A 64 116.286 13.241 4.185 1.00 0.00 H new ATOM 0 HD11 LEU A 64 118.609 13.586 4.971 1.00 0.00 H new ATOM 0 HD12 LEU A 64 117.512 13.277 6.338 1.00 0.00 H new ATOM 0 HD13 LEU A 64 118.585 11.986 5.748 1.00 0.00 H new ATOM 0 HD21 LEU A 64 118.179 12.508 2.754 1.00 0.00 H new ATOM 0 HD22 LEU A 64 118.151 10.910 3.537 1.00 0.00 H new ATOM 0 HD23 LEU A 64 116.771 11.439 2.545 1.00 0.00 H new ATOM 1050 N GLY A 65 114.740 12.711 7.987 1.00 0.00 N ATOM 1051 CA GLY A 65 115.038 13.656 9.100 1.00 0.00 C ATOM 1052 C GLY A 65 113.755 14.382 9.520 1.00 0.00 C ATOM 1053 O GLY A 65 113.785 15.303 10.310 1.00 0.00 O ATOM 0 H GLY A 65 114.281 11.844 8.267 1.00 0.00 H new ATOM 0 HA2 GLY A 65 115.455 13.113 9.949 1.00 0.00 H new ATOM 0 HA3 GLY A 65 115.790 14.379 8.784 1.00 0.00 H new ATOM 1057 N VAL A 66 112.626 13.975 9.000 1.00 0.00 N ATOM 1058 CA VAL A 66 111.350 14.648 9.374 1.00 0.00 C ATOM 1059 C VAL A 66 110.219 13.616 9.435 1.00 0.00 C ATOM 1060 O VAL A 66 109.712 13.178 8.423 1.00 0.00 O ATOM 1061 CB VAL A 66 111.012 15.714 8.330 1.00 0.00 C ATOM 1062 CG1 VAL A 66 109.746 16.460 8.755 1.00 0.00 C ATOM 1063 CG2 VAL A 66 112.174 16.703 8.218 1.00 0.00 C ATOM 0 H VAL A 66 112.534 13.208 8.334 1.00 0.00 H new ATOM 0 HA VAL A 66 111.463 15.117 10.352 1.00 0.00 H new ATOM 0 HB VAL A 66 110.846 15.238 7.364 1.00 0.00 H new ATOM 0 HG11 VAL A 66 109.505 17.220 8.012 1.00 0.00 H new ATOM 0 HG12 VAL A 66 108.918 15.755 8.836 1.00 0.00 H new ATOM 0 HG13 VAL A 66 109.912 16.937 9.721 1.00 0.00 H new ATOM 0 HG21 VAL A 66 111.934 17.463 7.474 1.00 0.00 H new ATOM 0 HG22 VAL A 66 112.340 17.180 9.184 1.00 0.00 H new ATOM 0 HG23 VAL A 66 113.076 16.171 7.916 1.00 0.00 H new ATOM 1073 N THR A 67 109.817 13.229 10.616 1.00 0.00 N ATOM 1074 CA THR A 67 108.718 12.230 10.744 1.00 0.00 C ATOM 1075 C THR A 67 107.471 12.733 10.034 1.00 0.00 C ATOM 1076 O THR A 67 107.158 13.906 10.029 1.00 0.00 O ATOM 1077 CB THR A 67 108.385 12.013 12.221 1.00 0.00 C ATOM 1078 OG1 THR A 67 109.568 12.142 12.996 1.00 0.00 O ATOM 1079 CG2 THR A 67 107.789 10.616 12.418 1.00 0.00 C ATOM 0 H THR A 67 110.203 13.563 11.499 1.00 0.00 H new ATOM 0 HA THR A 67 109.046 11.293 10.294 1.00 0.00 H new ATOM 0 HB THR A 67 107.658 12.760 12.541 1.00 0.00 H new ATOM 0 HG1 THR A 67 109.355 12.005 13.943 1.00 0.00 H new ATOM 0 HG21 THR A 67 107.553 10.466 13.472 1.00 0.00 H new ATOM 0 HG22 THR A 67 106.879 10.522 11.826 1.00 0.00 H new ATOM 0 HG23 THR A 67 108.510 9.864 12.097 1.00 0.00 H new ATOM 1087 N PHE A 68 106.749 11.826 9.459 1.00 0.00 N ATOM 1088 CA PHE A 68 105.490 12.184 8.760 1.00 0.00 C ATOM 1089 C PHE A 68 104.611 10.944 8.741 1.00 0.00 C ATOM 1090 O PHE A 68 104.912 9.964 9.391 1.00 0.00 O ATOM 1091 CB PHE A 68 105.766 12.656 7.329 1.00 0.00 C ATOM 1092 CG PHE A 68 107.057 12.067 6.825 1.00 0.00 C ATOM 1093 CD1 PHE A 68 107.200 10.680 6.714 1.00 0.00 C ATOM 1094 CD2 PHE A 68 108.108 12.913 6.460 1.00 0.00 C ATOM 1095 CE1 PHE A 68 108.403 10.138 6.236 1.00 0.00 C ATOM 1096 CE2 PHE A 68 109.306 12.375 5.984 1.00 0.00 C ATOM 1097 CZ PHE A 68 109.454 10.987 5.871 1.00 0.00 C ATOM 0 H PHE A 68 106.980 10.833 9.442 1.00 0.00 H new ATOM 0 HA PHE A 68 104.997 13.004 9.281 1.00 0.00 H new ATOM 0 HB2 PHE A 68 104.944 12.361 6.676 1.00 0.00 H new ATOM 0 HB3 PHE A 68 105.820 13.744 7.302 1.00 0.00 H new ATOM 0 HD1 PHE A 68 106.387 10.028 6.995 1.00 0.00 H new ATOM 0 HD2 PHE A 68 107.994 13.983 6.546 1.00 0.00 H new ATOM 0 HE1 PHE A 68 108.518 9.068 6.150 1.00 0.00 H new ATOM 0 HE2 PHE A 68 110.118 13.029 5.703 1.00 0.00 H new ATOM 0 HZ PHE A 68 110.380 10.571 5.502 1.00 0.00 H new ATOM 1107 N ASN A 69 103.530 10.962 8.022 1.00 0.00 N ATOM 1108 CA ASN A 69 102.660 9.761 8.007 1.00 0.00 C ATOM 1109 C ASN A 69 102.029 9.568 6.631 1.00 0.00 C ATOM 1110 O ASN A 69 101.752 10.509 5.914 1.00 0.00 O ATOM 1111 CB ASN A 69 101.557 9.918 9.055 1.00 0.00 C ATOM 1112 CG ASN A 69 100.520 10.926 8.559 1.00 0.00 C ATOM 1113 OD1 ASN A 69 99.797 10.638 7.510 1.00 0.00 O flip ATOM 1114 ND2 ASN A 69 100.363 11.987 9.131 1.00 0.00 N flip ATOM 0 H ASN A 69 103.214 11.745 7.451 1.00 0.00 H new ATOM 0 HA ASN A 69 103.269 8.887 8.237 1.00 0.00 H new ATOM 0 HB2 ASN A 69 101.082 8.956 9.245 1.00 0.00 H new ATOM 0 HB3 ASN A 69 101.984 10.255 10.000 1.00 0.00 H new ATOM 0 HD21 ASN A 69 100.927 12.213 9.950 1.00 0.00 H new ATOM 0 HD22 ASN A 69 99.667 12.651 8.792 1.00 0.00 H new ATOM 1121 N CYS A 70 101.786 8.339 6.276 1.00 0.00 N ATOM 1122 CA CYS A 70 101.155 8.035 4.968 1.00 0.00 C ATOM 1123 C CYS A 70 100.354 6.748 5.130 1.00 0.00 C ATOM 1124 O CYS A 70 100.449 6.084 6.143 1.00 0.00 O ATOM 1125 CB CYS A 70 102.231 7.846 3.897 1.00 0.00 C ATOM 1126 SG CYS A 70 101.441 7.612 2.284 1.00 0.00 S ATOM 0 H CYS A 70 102.002 7.522 6.847 1.00 0.00 H new ATOM 0 HA CYS A 70 100.507 8.855 4.659 1.00 0.00 H new ATOM 0 HB2 CYS A 70 102.889 8.715 3.869 1.00 0.00 H new ATOM 0 HB3 CYS A 70 102.852 6.984 4.138 1.00 0.00 H new ATOM 1132 N ASN A 71 99.560 6.386 4.164 1.00 0.00 N ATOM 1133 CA ASN A 71 98.761 5.140 4.313 1.00 0.00 C ATOM 1134 C ASN A 71 99.103 4.154 3.197 1.00 0.00 C ATOM 1135 O ASN A 71 99.387 4.534 2.079 1.00 0.00 O ATOM 1136 CB ASN A 71 97.270 5.478 4.255 1.00 0.00 C ATOM 1137 CG ASN A 71 97.040 6.602 3.244 1.00 0.00 C ATOM 1138 OD1 ASN A 71 97.480 7.716 3.446 1.00 0.00 O ATOM 1139 ND2 ASN A 71 96.363 6.355 2.156 1.00 0.00 N ATOM 0 H ASN A 71 99.430 6.891 3.288 1.00 0.00 H new ATOM 0 HA ASN A 71 98.997 4.683 5.274 1.00 0.00 H new ATOM 0 HB2 ASN A 71 96.697 4.596 3.970 1.00 0.00 H new ATOM 0 HB3 ASN A 71 96.917 5.783 5.240 1.00 0.00 H new ATOM 0 HD21 ASN A 71 96.203 7.097 1.475 1.00 0.00 H new ATOM 0 HD22 ASN A 71 95.994 5.419 1.987 1.00 0.00 H new ATOM 1146 N LEU A 72 99.075 2.886 3.500 1.00 0.00 N ATOM 1147 CA LEU A 72 99.395 1.864 2.464 1.00 0.00 C ATOM 1148 C LEU A 72 98.101 1.386 1.802 1.00 0.00 C ATOM 1149 O LEU A 72 97.059 1.316 2.428 1.00 0.00 O ATOM 1150 CB LEU A 72 100.101 0.675 3.120 1.00 0.00 C ATOM 1151 CG LEU A 72 101.404 1.146 3.767 1.00 0.00 C ATOM 1152 CD1 LEU A 72 101.806 0.171 4.875 1.00 0.00 C ATOM 1153 CD2 LEU A 72 102.509 1.197 2.709 1.00 0.00 C ATOM 0 H LEU A 72 98.844 2.513 4.421 1.00 0.00 H new ATOM 0 HA LEU A 72 100.048 2.304 1.710 1.00 0.00 H new ATOM 0 HB2 LEU A 72 99.453 0.223 3.871 1.00 0.00 H new ATOM 0 HB3 LEU A 72 100.310 -0.093 2.375 1.00 0.00 H new ATOM 0 HG LEU A 72 101.260 2.139 4.192 1.00 0.00 H new ATOM 0 HD11 LEU A 72 102.735 0.507 5.336 1.00 0.00 H new ATOM 0 HD12 LEU A 72 101.020 0.133 5.629 1.00 0.00 H new ATOM 0 HD13 LEU A 72 101.950 -0.823 4.451 1.00 0.00 H new ATOM 0 HD21 LEU A 72 103.438 1.533 3.169 1.00 0.00 H new ATOM 0 HD22 LEU A 72 102.653 0.203 2.285 1.00 0.00 H new ATOM 0 HD23 LEU A 72 102.224 1.891 1.919 1.00 0.00 H new ATOM 1165 N ALA A 73 98.163 1.057 0.538 1.00 0.00 N ATOM 1166 CA ALA A 73 96.945 0.584 -0.181 1.00 0.00 C ATOM 1167 C ALA A 73 96.137 -0.347 0.724 1.00 0.00 C ATOM 1168 O ALA A 73 94.922 -0.344 0.704 1.00 0.00 O ATOM 1169 CB ALA A 73 97.363 -0.169 -1.445 1.00 0.00 C ATOM 0 H ALA A 73 99.010 1.096 -0.029 1.00 0.00 H new ATOM 0 HA ALA A 73 96.330 1.442 -0.452 1.00 0.00 H new ATOM 0 HB1 ALA A 73 96.474 -0.516 -1.972 1.00 0.00 H new ATOM 0 HB2 ALA A 73 97.933 0.497 -2.093 1.00 0.00 H new ATOM 0 HB3 ALA A 73 97.980 -1.025 -1.171 1.00 0.00 H new ATOM 1175 N ASP A 74 96.796 -1.144 1.518 1.00 0.00 N ATOM 1176 CA ASP A 74 96.056 -2.071 2.419 1.00 0.00 C ATOM 1177 C ASP A 74 95.123 -1.264 3.325 1.00 0.00 C ATOM 1178 O ASP A 74 94.495 -1.796 4.218 1.00 0.00 O ATOM 1179 CB ASP A 74 97.054 -2.853 3.277 1.00 0.00 C ATOM 1180 CG ASP A 74 96.345 -4.044 3.927 1.00 0.00 C ATOM 1181 OD1 ASP A 74 95.129 -4.009 4.013 1.00 0.00 O ATOM 1182 OD2 ASP A 74 97.032 -4.969 4.327 1.00 0.00 O ATOM 0 H ASP A 74 97.813 -1.194 1.582 1.00 0.00 H new ATOM 0 HA ASP A 74 95.468 -2.768 1.822 1.00 0.00 H new ATOM 0 HB2 ASP A 74 97.884 -3.201 2.662 1.00 0.00 H new ATOM 0 HB3 ASP A 74 97.476 -2.204 4.045 1.00 0.00 H new ATOM 1187 N GLY A 75 95.026 0.019 3.101 1.00 0.00 N ATOM 1188 CA GLY A 75 94.135 0.859 3.949 1.00 0.00 C ATOM 1189 C GLY A 75 94.776 1.053 5.322 1.00 0.00 C ATOM 1190 O GLY A 75 94.101 1.272 6.309 1.00 0.00 O ATOM 0 H GLY A 75 95.526 0.521 2.367 1.00 0.00 H new ATOM 0 HA2 GLY A 75 93.968 1.826 3.474 1.00 0.00 H new ATOM 0 HA3 GLY A 75 93.160 0.383 4.055 1.00 0.00 H new ATOM 1194 N THR A 76 96.076 0.975 5.396 1.00 0.00 N ATOM 1195 CA THR A 76 96.762 1.152 6.699 1.00 0.00 C ATOM 1196 C THR A 76 97.322 2.568 6.795 1.00 0.00 C ATOM 1197 O THR A 76 97.476 3.256 5.808 1.00 0.00 O ATOM 1198 CB THR A 76 97.908 0.152 6.818 1.00 0.00 C ATOM 1199 OG1 THR A 76 97.730 -0.891 5.872 1.00 0.00 O ATOM 1200 CG2 THR A 76 97.943 -0.435 8.231 1.00 0.00 C ATOM 0 H THR A 76 96.693 0.795 4.604 1.00 0.00 H new ATOM 0 HA THR A 76 96.046 0.985 7.504 1.00 0.00 H new ATOM 0 HB THR A 76 98.850 0.663 6.621 1.00 0.00 H new ATOM 0 HG1 THR A 76 98.468 -1.531 5.949 1.00 0.00 H new ATOM 0 HG21 THR A 76 98.764 -1.148 8.309 1.00 0.00 H new ATOM 0 HG22 THR A 76 98.090 0.367 8.955 1.00 0.00 H new ATOM 0 HG23 THR A 76 97.001 -0.942 8.438 1.00 0.00 H new ATOM 1208 N GLU A 77 97.631 2.999 7.982 1.00 0.00 N ATOM 1209 CA GLU A 77 98.192 4.362 8.172 1.00 0.00 C ATOM 1210 C GLU A 77 99.417 4.270 9.083 1.00 0.00 C ATOM 1211 O GLU A 77 99.339 3.751 10.178 1.00 0.00 O ATOM 1212 CB GLU A 77 97.138 5.262 8.818 1.00 0.00 C ATOM 1213 CG GLU A 77 97.559 6.723 8.667 1.00 0.00 C ATOM 1214 CD GLU A 77 96.507 7.628 9.310 1.00 0.00 C ATOM 1215 OE1 GLU A 77 95.498 7.879 8.671 1.00 0.00 O ATOM 1216 OE2 GLU A 77 96.728 8.056 10.430 1.00 0.00 O ATOM 0 H GLU A 77 97.518 2.459 8.840 1.00 0.00 H new ATOM 0 HA GLU A 77 98.480 4.783 7.208 1.00 0.00 H new ATOM 0 HB2 GLU A 77 96.168 5.101 8.348 1.00 0.00 H new ATOM 0 HB3 GLU A 77 97.026 5.011 9.873 1.00 0.00 H new ATOM 0 HG2 GLU A 77 98.529 6.883 9.138 1.00 0.00 H new ATOM 0 HG3 GLU A 77 97.672 6.972 7.612 1.00 0.00 H new ATOM 1223 N LEU A 78 100.554 4.752 8.645 1.00 0.00 N ATOM 1224 CA LEU A 78 101.773 4.662 9.510 1.00 0.00 C ATOM 1225 C LEU A 78 102.531 5.995 9.520 1.00 0.00 C ATOM 1226 O LEU A 78 102.291 6.866 8.708 1.00 0.00 O ATOM 1227 CB LEU A 78 102.698 3.562 8.981 1.00 0.00 C ATOM 1228 CG LEU A 78 101.870 2.440 8.351 1.00 0.00 C ATOM 1229 CD1 LEU A 78 101.576 2.775 6.885 1.00 0.00 C ATOM 1230 CD2 LEU A 78 102.655 1.127 8.424 1.00 0.00 C ATOM 0 H LEU A 78 100.691 5.198 7.738 1.00 0.00 H new ATOM 0 HA LEU A 78 101.458 4.428 10.527 1.00 0.00 H new ATOM 0 HB2 LEU A 78 103.385 3.977 8.243 1.00 0.00 H new ATOM 0 HB3 LEU A 78 103.306 3.164 9.794 1.00 0.00 H new ATOM 0 HG LEU A 78 100.930 2.337 8.893 1.00 0.00 H new ATOM 0 HD11 LEU A 78 100.986 1.974 6.440 1.00 0.00 H new ATOM 0 HD12 LEU A 78 101.018 3.710 6.830 1.00 0.00 H new ATOM 0 HD13 LEU A 78 102.514 2.880 6.341 1.00 0.00 H new ATOM 0 HD21 LEU A 78 102.067 0.326 7.976 1.00 0.00 H new ATOM 0 HD22 LEU A 78 103.595 1.234 7.882 1.00 0.00 H new ATOM 0 HD23 LEU A 78 102.863 0.885 9.466 1.00 0.00 H new ATOM 1242 N ARG A 79 103.451 6.154 10.442 1.00 0.00 N ATOM 1243 CA ARG A 79 104.235 7.424 10.518 1.00 0.00 C ATOM 1244 C ARG A 79 105.645 7.136 11.042 1.00 0.00 C ATOM 1245 O ARG A 79 105.833 6.319 11.922 1.00 0.00 O ATOM 1246 CB ARG A 79 103.529 8.402 11.463 1.00 0.00 C ATOM 1247 CG ARG A 79 103.731 7.950 12.914 1.00 0.00 C ATOM 1248 CD ARG A 79 102.854 8.792 13.848 1.00 0.00 C ATOM 1249 NE ARG A 79 103.708 9.772 14.576 1.00 0.00 N ATOM 1250 CZ ARG A 79 104.360 9.402 15.644 1.00 0.00 C ATOM 1251 NH1 ARG A 79 105.109 10.260 16.282 1.00 0.00 N ATOM 1252 NH2 ARG A 79 104.263 8.174 16.075 1.00 0.00 N ATOM 0 H ARG A 79 103.692 5.456 11.146 1.00 0.00 H new ATOM 0 HA ARG A 79 104.306 7.862 9.522 1.00 0.00 H new ATOM 0 HB2 ARG A 79 103.927 9.408 11.326 1.00 0.00 H new ATOM 0 HB3 ARG A 79 102.465 8.445 11.230 1.00 0.00 H new ATOM 0 HG2 ARG A 79 103.476 6.895 13.014 1.00 0.00 H new ATOM 0 HG3 ARG A 79 104.779 8.053 13.194 1.00 0.00 H new ATOM 0 HD2 ARG A 79 102.089 9.315 13.274 1.00 0.00 H new ATOM 0 HD3 ARG A 79 102.335 8.147 14.557 1.00 0.00 H new ATOM 0 HE ARG A 79 103.783 10.732 14.240 1.00 0.00 H new ATOM 0 HH11 ARG A 79 105.185 11.220 15.946 1.00 0.00 H new ATOM 0 HH12 ARG A 79 105.619 9.970 17.117 1.00 0.00 H new ATOM 0 HH21 ARG A 79 103.678 7.503 15.577 1.00 0.00 H new ATOM 0 HH22 ARG A 79 104.773 7.885 16.910 1.00 0.00 H new ATOM 1266 N GLY A 80 106.640 7.800 10.508 1.00 0.00 N ATOM 1267 CA GLY A 80 108.022 7.568 10.969 1.00 0.00 C ATOM 1268 C GLY A 80 108.948 8.319 10.027 1.00 0.00 C ATOM 1269 O GLY A 80 108.866 9.522 9.900 1.00 0.00 O ATOM 0 H GLY A 80 106.542 8.495 9.768 1.00 0.00 H new ATOM 0 HA2 GLY A 80 108.149 7.919 11.993 1.00 0.00 H new ATOM 0 HA3 GLY A 80 108.254 6.503 10.967 1.00 0.00 H new ATOM 1273 N THR A 81 109.804 7.627 9.339 1.00 0.00 N ATOM 1274 CA THR A 81 110.717 8.326 8.387 1.00 0.00 C ATOM 1275 C THR A 81 111.752 7.354 7.828 1.00 0.00 C ATOM 1276 O THR A 81 112.041 6.326 8.409 1.00 0.00 O ATOM 1277 CB THR A 81 111.455 9.464 9.109 1.00 0.00 C ATOM 1278 OG1 THR A 81 111.041 9.522 10.466 1.00 0.00 O ATOM 1279 CG2 THR A 81 111.151 10.795 8.421 1.00 0.00 C ATOM 0 H THR A 81 109.915 6.614 9.390 1.00 0.00 H new ATOM 0 HA THR A 81 110.115 8.727 7.571 1.00 0.00 H new ATOM 0 HB THR A 81 112.528 9.275 9.069 1.00 0.00 H new ATOM 0 HG1 THR A 81 110.246 10.090 10.542 1.00 0.00 H new ATOM 0 HG21 THR A 81 111.676 11.599 8.936 1.00 0.00 H new ATOM 0 HG22 THR A 81 111.482 10.752 7.383 1.00 0.00 H new ATOM 0 HG23 THR A 81 110.078 10.984 8.452 1.00 0.00 H new ATOM 1287 N TRP A 82 112.331 7.694 6.710 1.00 0.00 N ATOM 1288 CA TRP A 82 113.372 6.814 6.112 1.00 0.00 C ATOM 1289 C TRP A 82 114.749 7.415 6.387 1.00 0.00 C ATOM 1290 O TRP A 82 114.921 8.618 6.405 1.00 0.00 O ATOM 1291 CB TRP A 82 113.164 6.697 4.598 1.00 0.00 C ATOM 1292 CG TRP A 82 111.705 6.622 4.293 1.00 0.00 C ATOM 1293 CD1 TRP A 82 110.826 7.634 4.454 1.00 0.00 C ATOM 1294 CD2 TRP A 82 110.944 5.494 3.773 1.00 0.00 C ATOM 1295 NE1 TRP A 82 109.571 7.202 4.068 1.00 0.00 N ATOM 1296 CE2 TRP A 82 109.592 5.887 3.639 1.00 0.00 C ATOM 1297 CE3 TRP A 82 111.295 4.182 3.409 1.00 0.00 C ATOM 1298 CZ2 TRP A 82 108.619 5.008 3.160 1.00 0.00 C ATOM 1299 CZ3 TRP A 82 110.320 3.294 2.927 1.00 0.00 C ATOM 1300 CH2 TRP A 82 108.986 3.706 2.803 1.00 0.00 C ATOM 0 H TRP A 82 112.128 8.544 6.185 1.00 0.00 H new ATOM 0 HA TRP A 82 113.299 5.821 6.556 1.00 0.00 H new ATOM 0 HB2 TRP A 82 113.607 7.556 4.093 1.00 0.00 H new ATOM 0 HB3 TRP A 82 113.670 5.809 4.220 1.00 0.00 H new ATOM 0 HD1 TRP A 82 111.064 8.620 4.824 1.00 0.00 H new ATOM 0 HE1 TRP A 82 108.732 7.782 4.096 1.00 0.00 H new ATOM 0 HE3 TRP A 82 112.320 3.855 3.501 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 107.592 5.330 3.066 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 110.599 2.288 2.650 1.00 0.00 H new ATOM 0 HH2 TRP A 82 108.241 3.018 2.432 1.00 0.00 H new ATOM 1311 N SER A 83 115.730 6.588 6.608 1.00 0.00 N ATOM 1312 CA SER A 83 117.094 7.104 6.890 1.00 0.00 C ATOM 1313 C SER A 83 118.101 6.197 6.195 1.00 0.00 C ATOM 1314 O SER A 83 117.806 5.067 5.886 1.00 0.00 O ATOM 1315 CB SER A 83 117.342 7.091 8.399 1.00 0.00 C ATOM 1316 OG SER A 83 116.558 6.067 8.996 1.00 0.00 O ATOM 0 H SER A 83 115.644 5.572 6.605 1.00 0.00 H new ATOM 0 HA SER A 83 117.196 8.126 6.524 1.00 0.00 H new ATOM 0 HB2 SER A 83 118.399 6.921 8.604 1.00 0.00 H new ATOM 0 HB3 SER A 83 117.085 8.059 8.830 1.00 0.00 H new ATOM 0 HG SER A 83 116.591 6.156 9.971 1.00 0.00 H new ATOM 1322 N LEU A 84 119.280 6.659 5.924 1.00 0.00 N ATOM 1323 CA LEU A 84 120.248 5.771 5.252 1.00 0.00 C ATOM 1324 C LEU A 84 121.034 5.015 6.329 1.00 0.00 C ATOM 1325 O LEU A 84 121.582 5.601 7.243 1.00 0.00 O ATOM 1326 CB LEU A 84 121.181 6.611 4.368 1.00 0.00 C ATOM 1327 CG LEU A 84 122.627 6.160 4.549 1.00 0.00 C ATOM 1328 CD1 LEU A 84 122.808 4.759 3.960 1.00 0.00 C ATOM 1329 CD2 LEU A 84 123.561 7.139 3.834 1.00 0.00 C ATOM 0 H LEU A 84 119.611 7.600 6.136 1.00 0.00 H new ATOM 0 HA LEU A 84 119.738 5.051 4.612 1.00 0.00 H new ATOM 0 HB2 LEU A 84 120.890 6.512 3.322 1.00 0.00 H new ATOM 0 HB3 LEU A 84 121.086 7.666 4.626 1.00 0.00 H new ATOM 0 HG LEU A 84 122.867 6.138 5.612 1.00 0.00 H new ATOM 0 HD11 LEU A 84 123.842 4.440 4.091 1.00 0.00 H new ATOM 0 HD12 LEU A 84 122.145 4.061 4.471 1.00 0.00 H new ATOM 0 HD13 LEU A 84 122.566 4.777 2.897 1.00 0.00 H new ATOM 0 HD21 LEU A 84 124.594 6.817 3.963 1.00 0.00 H new ATOM 0 HD22 LEU A 84 123.319 7.163 2.772 1.00 0.00 H new ATOM 0 HD23 LEU A 84 123.436 8.136 4.257 1.00 0.00 H new ATOM 1341 N GLU A 85 121.087 3.720 6.227 1.00 0.00 N ATOM 1342 CA GLU A 85 121.828 2.910 7.225 1.00 0.00 C ATOM 1343 C GLU A 85 122.827 2.036 6.469 1.00 0.00 C ATOM 1344 O GLU A 85 122.459 1.273 5.598 1.00 0.00 O ATOM 1345 CB GLU A 85 120.837 2.039 8.010 1.00 0.00 C ATOM 1346 CG GLU A 85 121.393 0.623 8.178 1.00 0.00 C ATOM 1347 CD GLU A 85 120.545 -0.141 9.197 1.00 0.00 C ATOM 1348 OE1 GLU A 85 120.815 -0.011 10.380 1.00 0.00 O ATOM 1349 OE2 GLU A 85 119.640 -0.844 8.777 1.00 0.00 O ATOM 0 H GLU A 85 120.642 3.182 5.484 1.00 0.00 H new ATOM 0 HA GLU A 85 122.357 3.549 7.932 1.00 0.00 H new ATOM 0 HB2 GLU A 85 120.649 2.482 8.988 1.00 0.00 H new ATOM 0 HB3 GLU A 85 119.881 2.002 7.487 1.00 0.00 H new ATOM 0 HG2 GLU A 85 121.386 0.102 7.220 1.00 0.00 H new ATOM 0 HG3 GLU A 85 122.430 0.665 8.511 1.00 0.00 H new ATOM 1356 N GLY A 86 124.087 2.155 6.770 1.00 0.00 N ATOM 1357 CA GLY A 86 125.088 1.341 6.034 1.00 0.00 C ATOM 1358 C GLY A 86 124.942 1.636 4.541 1.00 0.00 C ATOM 1359 O GLY A 86 125.296 2.701 4.076 1.00 0.00 O ATOM 0 H GLY A 86 124.464 2.775 7.487 1.00 0.00 H new ATOM 0 HA2 GLY A 86 126.096 1.582 6.372 1.00 0.00 H new ATOM 0 HA3 GLY A 86 124.932 0.280 6.229 1.00 0.00 H new ATOM 1363 N ASN A 87 124.413 0.710 3.788 1.00 0.00 N ATOM 1364 CA ASN A 87 124.236 0.952 2.327 1.00 0.00 C ATOM 1365 C ASN A 87 122.774 0.725 1.930 1.00 0.00 C ATOM 1366 O ASN A 87 122.487 0.279 0.838 1.00 0.00 O ATOM 1367 CB ASN A 87 125.133 -0.004 1.539 1.00 0.00 C ATOM 1368 CG ASN A 87 126.556 0.553 1.491 1.00 0.00 C ATOM 1369 OD1 ASN A 87 126.891 1.524 2.296 1.00 0.00 O flip ATOM 1370 ND2 ASN A 87 127.373 0.100 0.713 1.00 0.00 N flip ATOM 0 H ASN A 87 124.096 -0.201 4.120 1.00 0.00 H new ATOM 0 HA ASN A 87 124.511 1.982 2.101 1.00 0.00 H new ATOM 0 HB2 ASN A 87 125.132 -0.989 2.007 1.00 0.00 H new ATOM 0 HB3 ASN A 87 124.747 -0.131 0.528 1.00 0.00 H new ATOM 0 HD21 ASN A 87 127.112 -0.659 0.084 1.00 0.00 H new ATOM 0 HD22 ASN A 87 128.320 0.479 0.690 1.00 0.00 H new ATOM 1377 N LYS A 88 121.842 1.024 2.800 1.00 0.00 N ATOM 1378 CA LYS A 88 120.410 0.812 2.447 1.00 0.00 C ATOM 1379 C LYS A 88 119.560 1.956 3.006 1.00 0.00 C ATOM 1380 O LYS A 88 119.954 2.643 3.927 1.00 0.00 O ATOM 1381 CB LYS A 88 119.914 -0.510 3.047 1.00 0.00 C ATOM 1382 CG LYS A 88 120.942 -1.621 2.806 1.00 0.00 C ATOM 1383 CD LYS A 88 121.895 -1.710 4.000 1.00 0.00 C ATOM 1384 CE LYS A 88 122.943 -2.793 3.739 1.00 0.00 C ATOM 1385 NZ LYS A 88 123.396 -3.369 5.037 1.00 0.00 N ATOM 0 H LYS A 88 122.011 1.403 3.732 1.00 0.00 H new ATOM 0 HA LYS A 88 120.320 0.782 1.361 1.00 0.00 H new ATOM 0 HB2 LYS A 88 119.742 -0.390 4.117 1.00 0.00 H new ATOM 0 HB3 LYS A 88 118.959 -0.785 2.599 1.00 0.00 H new ATOM 0 HG2 LYS A 88 120.434 -2.575 2.662 1.00 0.00 H new ATOM 0 HG3 LYS A 88 121.504 -1.418 1.894 1.00 0.00 H new ATOM 0 HD2 LYS A 88 122.383 -0.749 4.161 1.00 0.00 H new ATOM 0 HD3 LYS A 88 121.337 -1.941 4.907 1.00 0.00 H new ATOM 0 HE2 LYS A 88 122.523 -3.576 3.108 1.00 0.00 H new ATOM 0 HE3 LYS A 88 123.791 -2.371 3.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 124.109 -4.106 4.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 123.812 -2.618 5.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 122.583 -3.786 5.534 1.00 0.00 H new ATOM 1399 N LEU A 89 118.389 2.155 2.462 1.00 0.00 N ATOM 1400 CA LEU A 89 117.505 3.241 2.970 1.00 0.00 C ATOM 1401 C LEU A 89 116.483 2.630 3.927 1.00 0.00 C ATOM 1402 O LEU A 89 115.589 1.915 3.519 1.00 0.00 O ATOM 1403 CB LEU A 89 116.779 3.904 1.799 1.00 0.00 C ATOM 1404 CG LEU A 89 117.800 4.562 0.869 1.00 0.00 C ATOM 1405 CD1 LEU A 89 117.206 4.685 -0.536 1.00 0.00 C ATOM 1406 CD2 LEU A 89 118.149 5.955 1.397 1.00 0.00 C ATOM 0 H LEU A 89 118.007 1.612 1.688 1.00 0.00 H new ATOM 0 HA LEU A 89 118.100 3.993 3.489 1.00 0.00 H new ATOM 0 HB2 LEU A 89 116.198 3.162 1.251 1.00 0.00 H new ATOM 0 HB3 LEU A 89 116.076 4.650 2.169 1.00 0.00 H new ATOM 0 HG LEU A 89 118.702 3.951 0.831 1.00 0.00 H new ATOM 0 HD11 LEU A 89 117.933 5.154 -1.199 1.00 0.00 H new ATOM 0 HD12 LEU A 89 116.957 3.693 -0.914 1.00 0.00 H new ATOM 0 HD13 LEU A 89 116.304 5.296 -0.497 1.00 0.00 H new ATOM 0 HD21 LEU A 89 118.876 6.424 0.734 1.00 0.00 H new ATOM 0 HD22 LEU A 89 117.247 6.566 1.436 1.00 0.00 H new ATOM 0 HD23 LEU A 89 118.572 5.869 2.398 1.00 0.00 H new ATOM 1418 N ILE A 90 116.609 2.889 5.200 1.00 0.00 N ATOM 1419 CA ILE A 90 115.644 2.300 6.169 1.00 0.00 C ATOM 1420 C ILE A 90 114.321 3.055 6.123 1.00 0.00 C ATOM 1421 O ILE A 90 114.227 4.147 5.604 1.00 0.00 O ATOM 1422 CB ILE A 90 116.204 2.347 7.584 1.00 0.00 C ATOM 1423 CG1 ILE A 90 117.130 3.538 7.737 1.00 0.00 C ATOM 1424 CG2 ILE A 90 116.981 1.062 7.871 1.00 0.00 C ATOM 1425 CD1 ILE A 90 117.482 3.684 9.206 1.00 0.00 C ATOM 0 H ILE A 90 117.334 3.479 5.608 1.00 0.00 H new ATOM 0 HA ILE A 90 115.477 1.260 5.889 1.00 0.00 H new ATOM 0 HB ILE A 90 115.378 2.442 8.289 1.00 0.00 H new ATOM 0 HG12 ILE A 90 118.033 3.396 7.143 1.00 0.00 H new ATOM 0 HG13 ILE A 90 116.647 4.444 7.371 1.00 0.00 H new ATOM 0 HG21 ILE A 90 117.381 1.097 8.884 1.00 0.00 H new ATOM 0 HG22 ILE A 90 116.315 0.205 7.774 1.00 0.00 H new ATOM 0 HG23 ILE A 90 117.802 0.967 7.160 1.00 0.00 H new ATOM 0 HD11 ILE A 90 118.148 4.536 9.337 1.00 0.00 H new ATOM 0 HD12 ILE A 90 116.572 3.842 9.784 1.00 0.00 H new ATOM 0 HD13 ILE A 90 117.979 2.778 9.553 1.00 0.00 H new ATOM 1437 N GLY A 91 113.303 2.460 6.669 1.00 0.00 N ATOM 1438 CA GLY A 91 111.958 3.095 6.687 1.00 0.00 C ATOM 1439 C GLY A 91 111.232 2.666 7.961 1.00 0.00 C ATOM 1440 O GLY A 91 110.635 1.611 8.024 1.00 0.00 O ATOM 0 H GLY A 91 113.346 1.542 7.113 1.00 0.00 H new ATOM 0 HA2 GLY A 91 112.052 4.180 6.653 1.00 0.00 H new ATOM 0 HA3 GLY A 91 111.387 2.796 5.808 1.00 0.00 H new ATOM 1444 N LYS A 92 111.282 3.469 8.976 1.00 0.00 N ATOM 1445 CA LYS A 92 110.599 3.100 10.244 1.00 0.00 C ATOM 1446 C LYS A 92 109.167 3.623 10.204 1.00 0.00 C ATOM 1447 O LYS A 92 108.928 4.802 10.333 1.00 0.00 O ATOM 1448 CB LYS A 92 111.347 3.715 11.431 1.00 0.00 C ATOM 1449 CG LYS A 92 111.165 5.235 11.427 1.00 0.00 C ATOM 1450 CD LYS A 92 112.386 5.901 12.067 1.00 0.00 C ATOM 1451 CE LYS A 92 111.960 7.199 12.758 1.00 0.00 C ATOM 1452 NZ LYS A 92 110.792 7.783 12.040 1.00 0.00 N ATOM 0 H LYS A 92 111.766 4.367 8.987 1.00 0.00 H new ATOM 0 HA LYS A 92 110.590 2.016 10.358 1.00 0.00 H new ATOM 0 HB2 LYS A 92 110.972 3.297 12.365 1.00 0.00 H new ATOM 0 HB3 LYS A 92 112.407 3.466 11.373 1.00 0.00 H new ATOM 0 HG2 LYS A 92 111.037 5.593 10.406 1.00 0.00 H new ATOM 0 HG3 LYS A 92 110.262 5.505 11.975 1.00 0.00 H new ATOM 0 HD2 LYS A 92 112.844 5.226 12.790 1.00 0.00 H new ATOM 0 HD3 LYS A 92 113.138 6.112 11.307 1.00 0.00 H new ATOM 0 HE2 LYS A 92 111.700 7.002 13.798 1.00 0.00 H new ATOM 0 HE3 LYS A 92 112.788 7.908 12.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 110.115 8.164 12.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 111.116 8.548 11.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 110.329 7.045 11.473 1.00 0.00 H new ATOM 1466 N PHE A 93 108.215 2.751 10.011 1.00 0.00 N ATOM 1467 CA PHE A 93 106.792 3.189 9.947 1.00 0.00 C ATOM 1468 C PHE A 93 105.997 2.543 11.074 1.00 0.00 C ATOM 1469 O PHE A 93 105.971 1.338 11.231 1.00 0.00 O ATOM 1470 CB PHE A 93 106.193 2.778 8.594 1.00 0.00 C ATOM 1471 CG PHE A 93 106.424 3.857 7.552 1.00 0.00 C ATOM 1472 CD1 PHE A 93 107.121 5.032 7.875 1.00 0.00 C ATOM 1473 CD2 PHE A 93 105.936 3.675 6.252 1.00 0.00 C ATOM 1474 CE1 PHE A 93 107.326 6.015 6.901 1.00 0.00 C ATOM 1475 CE2 PHE A 93 106.141 4.660 5.279 1.00 0.00 C ATOM 1476 CZ PHE A 93 106.837 5.830 5.603 1.00 0.00 C ATOM 0 H PHE A 93 108.363 1.749 9.894 1.00 0.00 H new ATOM 0 HA PHE A 93 106.745 4.273 10.055 1.00 0.00 H new ATOM 0 HB2 PHE A 93 106.643 1.843 8.261 1.00 0.00 H new ATOM 0 HB3 PHE A 93 105.124 2.596 8.705 1.00 0.00 H new ATOM 0 HD1 PHE A 93 107.499 5.177 8.876 1.00 0.00 H new ATOM 0 HD2 PHE A 93 105.400 2.772 6.000 1.00 0.00 H new ATOM 0 HE1 PHE A 93 107.863 6.918 7.151 1.00 0.00 H new ATOM 0 HE2 PHE A 93 105.762 4.517 4.278 1.00 0.00 H new ATOM 0 HZ PHE A 93 106.997 6.589 4.852 1.00 0.00 H new ATOM 1486 N LYS A 94 105.339 3.349 11.855 1.00 0.00 N ATOM 1487 CA LYS A 94 104.526 2.814 12.978 1.00 0.00 C ATOM 1488 C LYS A 94 103.044 2.984 12.647 1.00 0.00 C ATOM 1489 O LYS A 94 102.560 4.084 12.473 1.00 0.00 O ATOM 1490 CB LYS A 94 104.849 3.579 14.261 1.00 0.00 C ATOM 1491 CG LYS A 94 106.170 3.071 14.842 1.00 0.00 C ATOM 1492 CD LYS A 94 106.565 3.931 16.043 1.00 0.00 C ATOM 1493 CE LYS A 94 108.070 3.808 16.289 1.00 0.00 C ATOM 1494 NZ LYS A 94 108.553 2.499 15.762 1.00 0.00 N ATOM 0 H LYS A 94 105.330 4.365 11.762 1.00 0.00 H new ATOM 0 HA LYS A 94 104.756 1.758 13.122 1.00 0.00 H new ATOM 0 HB2 LYS A 94 104.918 4.647 14.052 1.00 0.00 H new ATOM 0 HB3 LYS A 94 104.046 3.448 14.987 1.00 0.00 H new ATOM 0 HG2 LYS A 94 106.069 2.029 15.145 1.00 0.00 H new ATOM 0 HG3 LYS A 94 106.951 3.108 14.083 1.00 0.00 H new ATOM 0 HD2 LYS A 94 106.300 4.972 15.860 1.00 0.00 H new ATOM 0 HD3 LYS A 94 106.014 3.612 16.928 1.00 0.00 H new ATOM 0 HE2 LYS A 94 108.598 4.627 15.800 1.00 0.00 H new ATOM 0 HE3 LYS A 94 108.283 3.884 17.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 109.461 2.259 16.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 107.854 1.759 15.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 108.681 2.565 14.732 1.00 0.00 H new ATOM 1508 N ARG A 95 102.319 1.904 12.555 1.00 0.00 N ATOM 1509 CA ARG A 95 100.870 2.012 12.230 1.00 0.00 C ATOM 1510 C ARG A 95 100.238 3.103 13.096 1.00 0.00 C ATOM 1511 O ARG A 95 100.168 2.990 14.303 1.00 0.00 O ATOM 1512 CB ARG A 95 100.181 0.675 12.508 1.00 0.00 C ATOM 1513 CG ARG A 95 100.526 -0.319 11.397 1.00 0.00 C ATOM 1514 CD ARG A 95 99.637 -1.558 11.525 1.00 0.00 C ATOM 1515 NE ARG A 95 98.212 -1.170 11.330 1.00 0.00 N ATOM 1516 CZ ARG A 95 97.283 -2.086 11.307 1.00 0.00 C ATOM 1517 NH1 ARG A 95 96.036 -1.746 11.136 1.00 0.00 N ATOM 1518 NH2 ARG A 95 97.603 -3.343 11.455 1.00 0.00 N ATOM 0 H ARG A 95 102.666 0.954 12.690 1.00 0.00 H new ATOM 0 HA ARG A 95 100.751 2.266 11.177 1.00 0.00 H new ATOM 0 HB2 ARG A 95 100.501 0.283 13.473 1.00 0.00 H new ATOM 0 HB3 ARG A 95 99.101 0.815 12.563 1.00 0.00 H new ATOM 0 HG2 ARG A 95 100.382 0.146 10.422 1.00 0.00 H new ATOM 0 HG3 ARG A 95 101.576 -0.604 11.463 1.00 0.00 H new ATOM 0 HD2 ARG A 95 99.926 -2.304 10.785 1.00 0.00 H new ATOM 0 HD3 ARG A 95 99.770 -2.014 12.506 1.00 0.00 H new ATOM 0 HE ARG A 95 97.962 -0.188 11.214 1.00 0.00 H new ATOM 0 HH11 ARG A 95 95.786 -0.764 11.020 1.00 0.00 H new ATOM 0 HH12 ARG A 95 95.310 -2.462 11.118 1.00 0.00 H new ATOM 0 HH21 ARG A 95 98.579 -3.609 11.589 1.00 0.00 H new ATOM 0 HH22 ARG A 95 96.877 -4.060 11.437 1.00 0.00 H new ATOM 1532 N THR A 96 99.778 4.159 12.485 1.00 0.00 N ATOM 1533 CA THR A 96 99.152 5.259 13.267 1.00 0.00 C ATOM 1534 C THR A 96 97.716 4.889 13.583 1.00 0.00 C ATOM 1535 O THR A 96 97.033 5.526 14.360 1.00 0.00 O ATOM 1536 CB THR A 96 99.180 6.541 12.438 1.00 0.00 C ATOM 1537 OG1 THR A 96 99.531 6.224 11.098 1.00 0.00 O ATOM 1538 CG2 THR A 96 100.210 7.504 13.019 1.00 0.00 C ATOM 0 H THR A 96 99.809 4.307 11.476 1.00 0.00 H new ATOM 0 HA THR A 96 99.701 5.414 14.196 1.00 0.00 H new ATOM 0 HB THR A 96 98.196 7.010 12.459 1.00 0.00 H new ATOM 0 HG1 THR A 96 100.004 6.982 10.695 1.00 0.00 H new ATOM 0 HG21 THR A 96 100.228 8.418 12.426 1.00 0.00 H new ATOM 0 HG22 THR A 96 99.943 7.744 14.048 1.00 0.00 H new ATOM 0 HG23 THR A 96 101.195 7.038 12.999 1.00 0.00 H new ATOM 1546 N ASP A 97 97.275 3.859 12.967 1.00 0.00 N ATOM 1547 CA ASP A 97 95.882 3.379 13.173 1.00 0.00 C ATOM 1548 C ASP A 97 95.854 2.357 14.312 1.00 0.00 C ATOM 1549 O ASP A 97 94.848 2.178 14.971 1.00 0.00 O ATOM 1550 CB ASP A 97 95.373 2.723 11.888 1.00 0.00 C ATOM 1551 CG ASP A 97 93.898 2.351 12.054 1.00 0.00 C ATOM 1552 OD1 ASP A 97 93.628 1.355 12.704 1.00 0.00 O ATOM 1553 OD2 ASP A 97 93.064 3.070 11.528 1.00 0.00 O ATOM 0 H ASP A 97 97.824 3.305 12.309 1.00 0.00 H new ATOM 0 HA ASP A 97 95.243 4.224 13.429 1.00 0.00 H new ATOM 0 HB2 ASP A 97 95.494 3.405 11.046 1.00 0.00 H new ATOM 0 HB3 ASP A 97 95.961 1.833 11.664 1.00 0.00 H new ATOM 1558 N ASN A 98 96.948 1.684 14.552 1.00 0.00 N ATOM 1559 CA ASN A 98 96.979 0.678 15.647 1.00 0.00 C ATOM 1560 C ASN A 98 98.229 0.894 16.500 1.00 0.00 C ATOM 1561 O ASN A 98 98.489 0.163 17.434 1.00 0.00 O ATOM 1562 CB ASN A 98 97.008 -0.730 15.046 1.00 0.00 C ATOM 1563 CG ASN A 98 96.953 -1.766 16.171 1.00 0.00 C ATOM 1564 OD1 ASN A 98 97.800 -2.632 16.255 1.00 0.00 O ATOM 1565 ND2 ASN A 98 95.986 -1.711 17.045 1.00 0.00 N ATOM 0 H ASN A 98 97.821 1.789 14.035 1.00 0.00 H new ATOM 0 HA ASN A 98 96.091 0.789 16.269 1.00 0.00 H new ATOM 0 HB2 ASN A 98 96.164 -0.866 14.370 1.00 0.00 H new ATOM 0 HB3 ASN A 98 97.914 -0.866 14.455 1.00 0.00 H new ATOM 0 HD21 ASN A 98 95.941 -2.396 17.800 1.00 0.00 H new ATOM 0 HD22 ASN A 98 95.275 -0.983 16.974 1.00 0.00 H new ATOM 1572 N GLY A 99 99.007 1.893 16.185 1.00 0.00 N ATOM 1573 CA GLY A 99 100.240 2.152 16.978 1.00 0.00 C ATOM 1574 C GLY A 99 101.070 0.870 17.055 1.00 0.00 C ATOM 1575 O GLY A 99 101.554 0.495 18.105 1.00 0.00 O ATOM 0 H GLY A 99 98.842 2.540 15.414 1.00 0.00 H new ATOM 0 HA2 GLY A 99 100.823 2.949 16.516 1.00 0.00 H new ATOM 0 HA3 GLY A 99 99.977 2.490 17.981 1.00 0.00 H new ATOM 1579 N ASN A 100 101.240 0.197 15.950 1.00 0.00 N ATOM 1580 CA ASN A 100 102.035 -1.052 15.955 1.00 0.00 C ATOM 1581 C ASN A 100 103.492 -0.718 15.695 1.00 0.00 C ATOM 1582 O ASN A 100 104.117 0.041 16.409 1.00 0.00 O ATOM 1583 CB ASN A 100 101.524 -1.981 14.852 1.00 0.00 C ATOM 1584 CG ASN A 100 102.177 -3.356 14.999 1.00 0.00 C ATOM 1585 OD1 ASN A 100 103.013 -3.732 14.202 1.00 0.00 O ATOM 1586 ND2 ASN A 100 101.828 -4.129 15.990 1.00 0.00 N ATOM 0 H ASN A 100 100.859 0.464 15.042 1.00 0.00 H new ATOM 0 HA ASN A 100 101.939 -1.545 16.922 1.00 0.00 H new ATOM 0 HB2 ASN A 100 100.440 -2.073 14.913 1.00 0.00 H new ATOM 0 HB3 ASN A 100 101.753 -1.561 13.873 1.00 0.00 H new ATOM 0 HD21 ASN A 100 102.257 -5.048 16.095 1.00 0.00 H new ATOM 0 HD22 ASN A 100 101.126 -3.814 16.660 1.00 0.00 H new ATOM 1593 N GLU A 101 104.023 -1.290 14.674 1.00 0.00 N ATOM 1594 CA GLU A 101 105.446 -1.043 14.324 1.00 0.00 C ATOM 1595 C GLU A 101 105.792 -1.752 13.009 1.00 0.00 C ATOM 1596 O GLU A 101 105.394 -2.875 12.774 1.00 0.00 O ATOM 1597 CB GLU A 101 106.335 -1.579 15.449 1.00 0.00 C ATOM 1598 CG GLU A 101 106.664 -3.054 15.201 1.00 0.00 C ATOM 1599 CD GLU A 101 107.232 -3.672 16.479 1.00 0.00 C ATOM 1600 OE1 GLU A 101 108.407 -4.001 16.484 1.00 0.00 O ATOM 1601 OE2 GLU A 101 106.482 -3.805 17.433 1.00 0.00 O ATOM 0 H GLU A 101 103.532 -1.931 14.050 1.00 0.00 H new ATOM 0 HA GLU A 101 105.611 0.027 14.201 1.00 0.00 H new ATOM 0 HB2 GLU A 101 107.255 -0.997 15.505 1.00 0.00 H new ATOM 0 HB3 GLU A 101 105.829 -1.467 16.408 1.00 0.00 H new ATOM 0 HG2 GLU A 101 105.767 -3.591 14.892 1.00 0.00 H new ATOM 0 HG3 GLU A 101 107.385 -3.145 14.389 1.00 0.00 H new ATOM 1608 N LEU A 102 106.542 -1.105 12.158 1.00 0.00 N ATOM 1609 CA LEU A 102 106.929 -1.740 10.870 1.00 0.00 C ATOM 1610 C LEU A 102 108.353 -1.310 10.520 1.00 0.00 C ATOM 1611 O LEU A 102 108.638 -0.139 10.373 1.00 0.00 O ATOM 1612 CB LEU A 102 105.966 -1.299 9.762 1.00 0.00 C ATOM 1613 CG LEU A 102 106.259 -2.092 8.482 1.00 0.00 C ATOM 1614 CD1 LEU A 102 105.022 -2.081 7.579 1.00 0.00 C ATOM 1615 CD2 LEU A 102 107.446 -1.465 7.734 1.00 0.00 C ATOM 0 H LEU A 102 106.903 -0.162 12.302 1.00 0.00 H new ATOM 0 HA LEU A 102 106.882 -2.825 10.964 1.00 0.00 H new ATOM 0 HB2 LEU A 102 104.935 -1.463 10.076 1.00 0.00 H new ATOM 0 HB3 LEU A 102 106.076 -0.231 9.574 1.00 0.00 H new ATOM 0 HG LEU A 102 106.508 -3.119 8.749 1.00 0.00 H new ATOM 0 HD11 LEU A 102 105.230 -2.645 6.670 1.00 0.00 H new ATOM 0 HD12 LEU A 102 104.184 -2.538 8.105 1.00 0.00 H new ATOM 0 HD13 LEU A 102 104.770 -1.053 7.319 1.00 0.00 H new ATOM 0 HD21 LEU A 102 107.646 -2.035 6.827 1.00 0.00 H new ATOM 0 HD22 LEU A 102 107.207 -0.435 7.470 1.00 0.00 H new ATOM 0 HD23 LEU A 102 108.328 -1.480 8.374 1.00 0.00 H new ATOM 1627 N ASN A 103 109.253 -2.248 10.389 1.00 0.00 N ATOM 1628 CA ASN A 103 110.660 -1.883 10.054 1.00 0.00 C ATOM 1629 C ASN A 103 110.939 -2.278 8.606 1.00 0.00 C ATOM 1630 O ASN A 103 111.038 -3.442 8.284 1.00 0.00 O ATOM 1631 CB ASN A 103 111.623 -2.622 10.988 1.00 0.00 C ATOM 1632 CG ASN A 103 110.885 -3.027 12.266 1.00 0.00 C ATOM 1633 OD1 ASN A 103 110.032 -2.198 12.803 1.00 0.00 O flip ATOM 1634 ND2 ASN A 103 111.086 -4.108 12.781 1.00 0.00 N flip ATOM 0 H ASN A 103 109.076 -3.246 10.499 1.00 0.00 H new ATOM 0 HA ASN A 103 110.803 -0.810 10.178 1.00 0.00 H new ATOM 0 HB2 ASN A 103 112.022 -3.506 10.491 1.00 0.00 H new ATOM 0 HB3 ASN A 103 112.472 -1.983 11.232 1.00 0.00 H new ATOM 0 HD21 ASN A 103 111.752 -4.757 12.362 1.00 0.00 H new ATOM 0 HD22 ASN A 103 110.588 -4.368 13.633 1.00 0.00 H new ATOM 1641 N THR A 104 111.043 -1.323 7.723 1.00 0.00 N ATOM 1642 CA THR A 104 111.279 -1.665 6.295 1.00 0.00 C ATOM 1643 C THR A 104 112.563 -1.029 5.771 1.00 0.00 C ATOM 1644 O THR A 104 113.230 -0.273 6.450 1.00 0.00 O ATOM 1645 CB THR A 104 110.099 -1.152 5.471 1.00 0.00 C ATOM 1646 OG1 THR A 104 110.403 -1.263 4.087 1.00 0.00 O ATOM 1647 CG2 THR A 104 109.845 0.314 5.825 1.00 0.00 C ATOM 0 H THR A 104 110.975 -0.326 7.928 1.00 0.00 H new ATOM 0 HA THR A 104 111.377 -2.747 6.210 1.00 0.00 H new ATOM 0 HB THR A 104 109.210 -1.743 5.691 1.00 0.00 H new ATOM 0 HG1 THR A 104 110.562 -2.203 3.861 1.00 0.00 H new ATOM 0 HG21 THR A 104 109.004 0.689 5.241 1.00 0.00 H new ATOM 0 HG22 THR A 104 109.615 0.397 6.887 1.00 0.00 H new ATOM 0 HG23 THR A 104 110.734 0.902 5.599 1.00 0.00 H new ATOM 1655 N VAL A 105 112.900 -1.339 4.548 1.00 0.00 N ATOM 1656 CA VAL A 105 114.126 -0.775 3.926 1.00 0.00 C ATOM 1657 C VAL A 105 113.886 -0.618 2.422 1.00 0.00 C ATOM 1658 O VAL A 105 113.006 -1.240 1.863 1.00 0.00 O ATOM 1659 CB VAL A 105 115.302 -1.721 4.166 1.00 0.00 C ATOM 1660 CG1 VAL A 105 116.591 -1.076 3.657 1.00 0.00 C ATOM 1661 CG2 VAL A 105 115.431 -2.002 5.665 1.00 0.00 C ATOM 0 H VAL A 105 112.368 -1.969 3.947 1.00 0.00 H new ATOM 0 HA VAL A 105 114.356 0.195 4.366 1.00 0.00 H new ATOM 0 HB VAL A 105 115.130 -2.656 3.632 1.00 0.00 H new ATOM 0 HG11 VAL A 105 117.429 -1.752 3.829 1.00 0.00 H new ATOM 0 HG12 VAL A 105 116.500 -0.875 2.590 1.00 0.00 H new ATOM 0 HG13 VAL A 105 116.765 -0.141 4.189 1.00 0.00 H new ATOM 0 HG21 VAL A 105 116.269 -2.677 5.838 1.00 0.00 H new ATOM 0 HG22 VAL A 105 115.602 -1.066 6.197 1.00 0.00 H new ATOM 0 HG23 VAL A 105 114.513 -2.463 6.029 1.00 0.00 H new ATOM 1671 N ARG A 106 114.651 0.210 1.764 1.00 0.00 N ATOM 1672 CA ARG A 106 114.448 0.404 0.299 1.00 0.00 C ATOM 1673 C ARG A 106 115.798 0.375 -0.423 1.00 0.00 C ATOM 1674 O ARG A 106 116.767 0.957 0.027 1.00 0.00 O ATOM 1675 CB ARG A 106 113.769 1.757 0.061 1.00 0.00 C ATOM 1676 CG ARG A 106 112.860 1.671 -1.167 1.00 0.00 C ATOM 1677 CD ARG A 106 112.083 2.980 -1.320 1.00 0.00 C ATOM 1678 NE ARG A 106 110.826 2.909 -0.522 1.00 0.00 N ATOM 1679 CZ ARG A 106 109.915 3.833 -0.658 1.00 0.00 C ATOM 1680 NH1 ARG A 106 108.813 3.769 0.039 1.00 0.00 N ATOM 1681 NH2 ARG A 106 110.104 4.820 -1.489 1.00 0.00 N ATOM 0 H ARG A 106 115.406 0.759 2.175 1.00 0.00 H new ATOM 0 HA ARG A 106 113.820 -0.398 -0.089 1.00 0.00 H new ATOM 0 HB2 ARG A 106 113.186 2.041 0.937 1.00 0.00 H new ATOM 0 HB3 ARG A 106 114.522 2.531 -0.086 1.00 0.00 H new ATOM 0 HG2 ARG A 106 113.455 1.483 -2.061 1.00 0.00 H new ATOM 0 HG3 ARG A 106 112.168 0.835 -1.063 1.00 0.00 H new ATOM 0 HD2 ARG A 106 112.693 3.819 -0.984 1.00 0.00 H new ATOM 0 HD3 ARG A 106 111.850 3.156 -2.370 1.00 0.00 H new ATOM 0 HE ARG A 106 110.678 2.139 0.130 1.00 0.00 H new ATOM 0 HH11 ARG A 106 108.665 2.997 0.689 1.00 0.00 H new ATOM 0 HH12 ARG A 106 108.100 4.491 -0.067 1.00 0.00 H new ATOM 0 HH21 ARG A 106 110.965 4.870 -2.034 1.00 0.00 H new ATOM 0 HH22 ARG A 106 109.391 5.542 -1.594 1.00 0.00 H new ATOM 1695 N GLU A 107 115.867 -0.297 -1.543 1.00 0.00 N ATOM 1696 CA GLU A 107 117.152 -0.358 -2.297 1.00 0.00 C ATOM 1697 C GLU A 107 116.851 -0.390 -3.796 1.00 0.00 C ATOM 1698 O GLU A 107 115.763 -0.736 -4.211 1.00 0.00 O ATOM 1699 CB GLU A 107 117.933 -1.610 -1.896 1.00 0.00 C ATOM 1700 CG GLU A 107 117.043 -2.839 -2.058 1.00 0.00 C ATOM 1701 CD GLU A 107 117.803 -4.086 -1.601 1.00 0.00 C ATOM 1702 OE1 GLU A 107 117.156 -5.019 -1.155 1.00 0.00 O ATOM 1703 OE2 GLU A 107 119.018 -4.086 -1.705 1.00 0.00 O ATOM 0 H GLU A 107 115.090 -0.805 -1.966 1.00 0.00 H new ATOM 0 HA GLU A 107 117.754 0.520 -2.064 1.00 0.00 H new ATOM 0 HB2 GLU A 107 118.824 -1.709 -2.515 1.00 0.00 H new ATOM 0 HB3 GLU A 107 118.270 -1.526 -0.863 1.00 0.00 H new ATOM 0 HG2 GLU A 107 116.132 -2.721 -1.472 1.00 0.00 H new ATOM 0 HG3 GLU A 107 116.740 -2.947 -3.100 1.00 0.00 H new ATOM 1710 N ILE A 108 117.803 -0.030 -4.614 1.00 0.00 N ATOM 1711 CA ILE A 108 117.579 -0.032 -6.072 1.00 0.00 C ATOM 1712 C ILE A 108 118.587 -0.978 -6.702 1.00 0.00 C ATOM 1713 O ILE A 108 119.635 -0.576 -7.167 1.00 0.00 O ATOM 1714 CB ILE A 108 117.787 1.378 -6.605 1.00 0.00 C ATOM 1715 CG1 ILE A 108 117.057 2.378 -5.693 1.00 0.00 C ATOM 1716 CG2 ILE A 108 117.234 1.449 -8.020 1.00 0.00 C ATOM 1717 CD1 ILE A 108 116.256 3.378 -6.532 1.00 0.00 C ATOM 0 H ILE A 108 118.734 0.267 -4.322 1.00 0.00 H new ATOM 0 HA ILE A 108 116.566 -0.357 -6.310 1.00 0.00 H new ATOM 0 HB ILE A 108 118.848 1.628 -6.619 1.00 0.00 H new ATOM 0 HG12 ILE A 108 116.389 1.844 -5.017 1.00 0.00 H new ATOM 0 HG13 ILE A 108 117.779 2.909 -5.073 1.00 0.00 H new ATOM 0 HG21 ILE A 108 117.376 2.455 -8.416 1.00 0.00 H new ATOM 0 HG22 ILE A 108 117.759 0.733 -8.652 1.00 0.00 H new ATOM 0 HG23 ILE A 108 116.170 1.211 -8.007 1.00 0.00 H new ATOM 0 HD11 ILE A 108 115.745 4.079 -5.872 1.00 0.00 H new ATOM 0 HD12 ILE A 108 116.932 3.925 -7.189 1.00 0.00 H new ATOM 0 HD13 ILE A 108 115.520 2.842 -7.132 1.00 0.00 H new ATOM 1729 N ILE A 109 118.280 -2.236 -6.703 1.00 0.00 N ATOM 1730 CA ILE A 109 119.224 -3.223 -7.281 1.00 0.00 C ATOM 1731 C ILE A 109 119.378 -2.957 -8.773 1.00 0.00 C ATOM 1732 O ILE A 109 118.643 -3.473 -9.590 1.00 0.00 O ATOM 1733 CB ILE A 109 118.687 -4.640 -7.062 1.00 0.00 C ATOM 1734 CG1 ILE A 109 118.903 -5.043 -5.601 1.00 0.00 C ATOM 1735 CG2 ILE A 109 119.429 -5.618 -7.977 1.00 0.00 C ATOM 1736 CD1 ILE A 109 118.212 -6.381 -5.330 1.00 0.00 C ATOM 0 H ILE A 109 117.415 -2.627 -6.329 1.00 0.00 H new ATOM 0 HA ILE A 109 120.194 -3.130 -6.792 1.00 0.00 H new ATOM 0 HB ILE A 109 117.622 -4.666 -7.295 1.00 0.00 H new ATOM 0 HG12 ILE A 109 119.969 -5.123 -5.389 1.00 0.00 H new ATOM 0 HG13 ILE A 109 118.503 -4.275 -4.939 1.00 0.00 H new ATOM 0 HG21 ILE A 109 119.045 -6.626 -7.820 1.00 0.00 H new ATOM 0 HG22 ILE A 109 119.277 -5.330 -9.017 1.00 0.00 H new ATOM 0 HG23 ILE A 109 120.494 -5.595 -7.747 1.00 0.00 H new ATOM 0 HD11 ILE A 109 118.367 -6.666 -4.289 1.00 0.00 H new ATOM 0 HD12 ILE A 109 117.144 -6.285 -5.525 1.00 0.00 H new ATOM 0 HD13 ILE A 109 118.632 -7.146 -5.982 1.00 0.00 H new ATOM 1748 N GLY A 110 120.345 -2.164 -9.127 1.00 0.00 N ATOM 1749 CA GLY A 110 120.583 -1.858 -10.567 1.00 0.00 C ATOM 1750 C GLY A 110 119.262 -1.551 -11.281 1.00 0.00 C ATOM 1751 O GLY A 110 118.926 -0.407 -11.513 1.00 0.00 O ATOM 0 H GLY A 110 120.988 -1.709 -8.478 1.00 0.00 H new ATOM 0 HA2 GLY A 110 121.257 -1.006 -10.656 1.00 0.00 H new ATOM 0 HA3 GLY A 110 121.074 -2.704 -11.048 1.00 0.00 H new ATOM 1755 N ASP A 111 118.522 -2.564 -11.657 1.00 0.00 N ATOM 1756 CA ASP A 111 117.241 -2.327 -12.383 1.00 0.00 C ATOM 1757 C ASP A 111 116.053 -2.895 -11.602 1.00 0.00 C ATOM 1758 O ASP A 111 115.060 -3.293 -12.178 1.00 0.00 O ATOM 1759 CB ASP A 111 117.307 -2.992 -13.759 1.00 0.00 C ATOM 1760 CG ASP A 111 118.030 -4.335 -13.645 1.00 0.00 C ATOM 1761 OD1 ASP A 111 118.637 -4.743 -14.621 1.00 0.00 O ATOM 1762 OD2 ASP A 111 117.965 -4.931 -12.582 1.00 0.00 O ATOM 0 H ASP A 111 118.751 -3.544 -11.492 1.00 0.00 H new ATOM 0 HA ASP A 111 117.100 -1.252 -12.492 1.00 0.00 H new ATOM 0 HB2 ASP A 111 116.301 -3.141 -14.151 1.00 0.00 H new ATOM 0 HB3 ASP A 111 117.830 -2.344 -14.463 1.00 0.00 H new ATOM 1767 N GLU A 112 116.131 -2.931 -10.302 1.00 0.00 N ATOM 1768 CA GLU A 112 114.988 -3.465 -9.512 1.00 0.00 C ATOM 1769 C GLU A 112 114.867 -2.687 -8.200 1.00 0.00 C ATOM 1770 O GLU A 112 115.840 -2.480 -7.502 1.00 0.00 O ATOM 1771 CB GLU A 112 115.212 -4.951 -9.215 1.00 0.00 C ATOM 1772 CG GLU A 112 116.150 -5.546 -10.267 1.00 0.00 C ATOM 1773 CD GLU A 112 116.320 -7.044 -10.009 1.00 0.00 C ATOM 1774 OE1 GLU A 112 116.568 -7.406 -8.871 1.00 0.00 O ATOM 1775 OE2 GLU A 112 116.200 -7.806 -10.956 1.00 0.00 O ATOM 0 H GLU A 112 116.932 -2.616 -9.755 1.00 0.00 H new ATOM 0 HA GLU A 112 114.068 -3.352 -10.086 1.00 0.00 H new ATOM 0 HB2 GLU A 112 115.640 -5.073 -8.220 1.00 0.00 H new ATOM 0 HB3 GLU A 112 114.260 -5.481 -9.220 1.00 0.00 H new ATOM 0 HG2 GLU A 112 115.745 -5.382 -11.266 1.00 0.00 H new ATOM 0 HG3 GLU A 112 117.119 -5.047 -10.230 1.00 0.00 H new ATOM 1782 N LEU A 113 113.680 -2.261 -7.850 1.00 0.00 N ATOM 1783 CA LEU A 113 113.514 -1.508 -6.573 1.00 0.00 C ATOM 1784 C LEU A 113 113.024 -2.492 -5.517 1.00 0.00 C ATOM 1785 O LEU A 113 111.940 -3.018 -5.619 1.00 0.00 O ATOM 1786 CB LEU A 113 112.485 -0.387 -6.764 1.00 0.00 C ATOM 1787 CG LEU A 113 112.860 0.829 -5.907 1.00 0.00 C ATOM 1788 CD1 LEU A 113 112.429 2.114 -6.623 1.00 0.00 C ATOM 1789 CD2 LEU A 113 112.150 0.741 -4.556 1.00 0.00 C ATOM 0 H LEU A 113 112.826 -2.401 -8.389 1.00 0.00 H new ATOM 0 HA LEU A 113 114.458 -1.059 -6.265 1.00 0.00 H new ATOM 0 HB2 LEU A 113 112.440 -0.100 -7.815 1.00 0.00 H new ATOM 0 HB3 LEU A 113 111.493 -0.744 -6.488 1.00 0.00 H new ATOM 0 HG LEU A 113 113.939 0.842 -5.752 1.00 0.00 H new ATOM 0 HD11 LEU A 113 112.696 2.977 -6.013 1.00 0.00 H new ATOM 0 HD12 LEU A 113 112.934 2.180 -7.587 1.00 0.00 H new ATOM 0 HD13 LEU A 113 111.350 2.099 -6.779 1.00 0.00 H new ATOM 0 HD21 LEU A 113 112.417 1.605 -3.948 1.00 0.00 H new ATOM 0 HD22 LEU A 113 111.071 0.726 -4.712 1.00 0.00 H new ATOM 0 HD23 LEU A 113 112.455 -0.171 -4.044 1.00 0.00 H new ATOM 1801 N VAL A 114 113.811 -2.767 -4.516 1.00 0.00 N ATOM 1802 CA VAL A 114 113.358 -3.755 -3.498 1.00 0.00 C ATOM 1803 C VAL A 114 113.013 -3.057 -2.190 1.00 0.00 C ATOM 1804 O VAL A 114 113.866 -2.528 -1.505 1.00 0.00 O ATOM 1805 CB VAL A 114 114.463 -4.786 -3.251 1.00 0.00 C ATOM 1806 CG1 VAL A 114 113.854 -6.075 -2.691 1.00 0.00 C ATOM 1807 CG2 VAL A 114 115.183 -5.090 -4.568 1.00 0.00 C ATOM 0 H VAL A 114 114.733 -2.359 -4.359 1.00 0.00 H new ATOM 0 HA VAL A 114 112.466 -4.256 -3.874 1.00 0.00 H new ATOM 0 HB VAL A 114 115.176 -4.383 -2.531 1.00 0.00 H new ATOM 0 HG11 VAL A 114 114.644 -6.805 -2.517 1.00 0.00 H new ATOM 0 HG12 VAL A 114 113.346 -5.859 -1.751 1.00 0.00 H new ATOM 0 HG13 VAL A 114 113.137 -6.479 -3.406 1.00 0.00 H new ATOM 0 HG21 VAL A 114 115.969 -5.824 -4.392 1.00 0.00 H new ATOM 0 HG22 VAL A 114 114.470 -5.489 -5.289 1.00 0.00 H new ATOM 0 HG23 VAL A 114 115.623 -4.174 -4.962 1.00 0.00 H new ATOM 1817 N GLN A 115 111.764 -3.083 -1.828 1.00 0.00 N ATOM 1818 CA GLN A 115 111.342 -2.456 -0.550 1.00 0.00 C ATOM 1819 C GLN A 115 110.946 -3.579 0.407 1.00 0.00 C ATOM 1820 O GLN A 115 109.910 -4.195 0.256 1.00 0.00 O ATOM 1821 CB GLN A 115 110.142 -1.537 -0.795 1.00 0.00 C ATOM 1822 CG GLN A 115 109.904 -0.668 0.442 1.00 0.00 C ATOM 1823 CD GLN A 115 108.940 0.467 0.091 1.00 0.00 C ATOM 1824 OE1 GLN A 115 109.175 1.205 -0.959 1.00 0.00 O flip ATOM 1825 NE2 GLN A 115 107.963 0.684 0.780 1.00 0.00 N flip ATOM 0 H GLN A 115 111.013 -3.515 -2.366 1.00 0.00 H new ATOM 0 HA GLN A 115 112.152 -1.861 -0.129 1.00 0.00 H new ATOM 0 HB2 GLN A 115 110.325 -0.907 -1.666 1.00 0.00 H new ATOM 0 HB3 GLN A 115 109.254 -2.131 -1.012 1.00 0.00 H new ATOM 0 HG2 GLN A 115 109.492 -1.272 1.250 1.00 0.00 H new ATOM 0 HG3 GLN A 115 110.849 -0.259 0.800 1.00 0.00 H new ATOM 0 HE21 GLN A 115 107.779 0.107 1.601 1.00 0.00 H new ATOM 0 HE22 GLN A 115 107.326 1.443 0.538 1.00 0.00 H new ATOM 1834 N THR A 116 111.770 -3.873 1.374 1.00 0.00 N ATOM 1835 CA THR A 116 111.438 -4.979 2.312 1.00 0.00 C ATOM 1836 C THR A 116 110.861 -4.412 3.603 1.00 0.00 C ATOM 1837 O THR A 116 111.245 -3.355 4.055 1.00 0.00 O ATOM 1838 CB THR A 116 112.707 -5.773 2.630 1.00 0.00 C ATOM 1839 OG1 THR A 116 113.624 -5.648 1.551 1.00 0.00 O ATOM 1840 CG2 THR A 116 112.357 -7.247 2.837 1.00 0.00 C ATOM 0 H THR A 116 112.654 -3.398 1.554 1.00 0.00 H new ATOM 0 HA THR A 116 110.700 -5.633 1.847 1.00 0.00 H new ATOM 0 HB THR A 116 113.160 -5.382 3.541 1.00 0.00 H new ATOM 0 HG1 THR A 116 114.438 -6.154 1.753 1.00 0.00 H new ATOM 0 HG21 THR A 116 113.264 -7.808 3.063 1.00 0.00 H new ATOM 0 HG22 THR A 116 111.656 -7.341 3.666 1.00 0.00 H new ATOM 0 HG23 THR A 116 111.902 -7.644 1.930 1.00 0.00 H new ATOM 1848 N TYR A 117 109.949 -5.120 4.206 1.00 0.00 N ATOM 1849 CA TYR A 117 109.356 -4.633 5.484 1.00 0.00 C ATOM 1850 C TYR A 117 109.373 -5.748 6.515 1.00 0.00 C ATOM 1851 O TYR A 117 109.186 -6.905 6.209 1.00 0.00 O ATOM 1852 CB TYR A 117 107.907 -4.172 5.287 1.00 0.00 C ATOM 1853 CG TYR A 117 107.713 -3.691 3.880 1.00 0.00 C ATOM 1854 CD1 TYR A 117 107.856 -4.591 2.833 1.00 0.00 C ATOM 1855 CD2 TYR A 117 107.387 -2.356 3.627 1.00 0.00 C ATOM 1856 CE1 TYR A 117 107.674 -4.165 1.514 1.00 0.00 C ATOM 1857 CE2 TYR A 117 107.203 -1.922 2.310 1.00 0.00 C ATOM 1858 CZ TYR A 117 107.347 -2.828 1.251 1.00 0.00 C ATOM 1859 OH TYR A 117 107.166 -2.404 -0.049 1.00 0.00 O ATOM 0 H TYR A 117 109.588 -6.013 3.871 1.00 0.00 H new ATOM 0 HA TYR A 117 109.952 -3.787 5.826 1.00 0.00 H new ATOM 0 HB2 TYR A 117 107.223 -4.994 5.498 1.00 0.00 H new ATOM 0 HB3 TYR A 117 107.671 -3.373 5.990 1.00 0.00 H new ATOM 0 HD1 TYR A 117 108.108 -5.621 3.037 1.00 0.00 H new ATOM 0 HD2 TYR A 117 107.277 -1.661 4.446 1.00 0.00 H new ATOM 0 HE1 TYR A 117 107.785 -4.865 0.699 1.00 0.00 H new ATOM 0 HE2 TYR A 117 106.951 -0.891 2.110 1.00 0.00 H new ATOM 0 HH TYR A 117 106.717 -1.533 -0.049 1.00 0.00 H new ATOM 1869 N VAL A 118 109.563 -5.384 7.739 1.00 0.00 N ATOM 1870 CA VAL A 118 109.565 -6.383 8.840 1.00 0.00 C ATOM 1871 C VAL A 118 108.348 -6.142 9.693 1.00 0.00 C ATOM 1872 O VAL A 118 107.885 -5.027 9.840 1.00 0.00 O ATOM 1873 CB VAL A 118 110.797 -6.230 9.727 1.00 0.00 C ATOM 1874 CG1 VAL A 118 110.912 -7.445 10.655 1.00 0.00 C ATOM 1875 CG2 VAL A 118 112.055 -6.112 8.862 1.00 0.00 C ATOM 0 H VAL A 118 109.720 -4.421 8.035 1.00 0.00 H new ATOM 0 HA VAL A 118 109.567 -7.382 8.404 1.00 0.00 H new ATOM 0 HB VAL A 118 110.698 -5.325 10.327 1.00 0.00 H new ATOM 0 HG11 VAL A 118 111.792 -7.337 11.289 1.00 0.00 H new ATOM 0 HG12 VAL A 118 110.021 -7.512 11.279 1.00 0.00 H new ATOM 0 HG13 VAL A 118 111.005 -8.352 10.057 1.00 0.00 H new ATOM 0 HG21 VAL A 118 112.929 -6.003 9.504 1.00 0.00 H new ATOM 0 HG22 VAL A 118 112.162 -7.009 8.252 1.00 0.00 H new ATOM 0 HG23 VAL A 118 111.970 -5.240 8.214 1.00 0.00 H new ATOM 1885 N TYR A 119 107.825 -7.173 10.257 1.00 0.00 N ATOM 1886 CA TYR A 119 106.624 -6.991 11.101 1.00 0.00 C ATOM 1887 C TYR A 119 106.608 -7.992 12.255 1.00 0.00 C ATOM 1888 O TYR A 119 106.446 -9.183 12.072 1.00 0.00 O ATOM 1889 CB TYR A 119 105.377 -7.161 10.239 1.00 0.00 C ATOM 1890 CG TYR A 119 104.320 -6.197 10.707 1.00 0.00 C ATOM 1891 CD1 TYR A 119 103.526 -6.534 11.799 1.00 0.00 C ATOM 1892 CD2 TYR A 119 104.130 -4.977 10.046 1.00 0.00 C ATOM 1893 CE1 TYR A 119 102.531 -5.654 12.239 1.00 0.00 C ATOM 1894 CE2 TYR A 119 103.139 -4.093 10.486 1.00 0.00 C ATOM 1895 CZ TYR A 119 102.337 -4.432 11.583 1.00 0.00 C ATOM 1896 OH TYR A 119 101.358 -3.564 12.017 1.00 0.00 O ATOM 0 H TYR A 119 108.169 -8.130 10.175 1.00 0.00 H new ATOM 0 HA TYR A 119 106.642 -5.989 11.529 1.00 0.00 H new ATOM 0 HB2 TYR A 119 105.616 -6.978 9.191 1.00 0.00 H new ATOM 0 HB3 TYR A 119 105.009 -8.185 10.307 1.00 0.00 H new ATOM 0 HD1 TYR A 119 103.678 -7.475 12.307 1.00 0.00 H new ATOM 0 HD2 TYR A 119 104.747 -4.719 9.198 1.00 0.00 H new ATOM 0 HE1 TYR A 119 101.913 -5.917 13.084 1.00 0.00 H new ATOM 0 HE2 TYR A 119 102.993 -3.150 9.980 1.00 0.00 H new ATOM 0 HH TYR A 119 100.744 -4.037 12.617 1.00 0.00 H new ATOM 1906 N GLU A 120 106.763 -7.491 13.444 1.00 0.00 N ATOM 1907 CA GLU A 120 106.742 -8.354 14.662 1.00 0.00 C ATOM 1908 C GLU A 120 107.703 -9.524 14.514 1.00 0.00 C ATOM 1909 O GLU A 120 107.638 -10.492 15.246 1.00 0.00 O ATOM 1910 CB GLU A 120 105.323 -8.881 14.892 1.00 0.00 C ATOM 1911 CG GLU A 120 104.511 -7.842 15.669 1.00 0.00 C ATOM 1912 CD GLU A 120 104.984 -7.809 17.124 1.00 0.00 C ATOM 1913 OE1 GLU A 120 105.765 -8.671 17.492 1.00 0.00 O ATOM 1914 OE2 GLU A 120 104.557 -6.922 17.844 1.00 0.00 O ATOM 0 H GLU A 120 106.907 -6.499 13.631 1.00 0.00 H new ATOM 0 HA GLU A 120 107.057 -7.755 15.516 1.00 0.00 H new ATOM 0 HB2 GLU A 120 104.843 -9.092 13.936 1.00 0.00 H new ATOM 0 HB3 GLU A 120 105.358 -9.819 15.446 1.00 0.00 H new ATOM 0 HG2 GLU A 120 104.629 -6.858 15.215 1.00 0.00 H new ATOM 0 HG3 GLU A 120 103.450 -8.088 15.626 1.00 0.00 H new ATOM 1921 N GLY A 121 108.596 -9.443 13.583 1.00 0.00 N ATOM 1922 CA GLY A 121 109.572 -10.550 13.391 1.00 0.00 C ATOM 1923 C GLY A 121 109.280 -11.238 12.069 1.00 0.00 C ATOM 1924 O GLY A 121 109.559 -12.405 11.886 1.00 0.00 O ATOM 0 H GLY A 121 108.698 -8.657 12.941 1.00 0.00 H new ATOM 0 HA2 GLY A 121 110.590 -10.160 13.397 1.00 0.00 H new ATOM 0 HA3 GLY A 121 109.499 -11.264 14.212 1.00 0.00 H new ATOM 1928 N VAL A 122 108.733 -10.513 11.137 1.00 0.00 N ATOM 1929 CA VAL A 122 108.434 -11.100 9.817 1.00 0.00 C ATOM 1930 C VAL A 122 109.169 -10.284 8.789 1.00 0.00 C ATOM 1931 O VAL A 122 109.810 -9.305 9.108 1.00 0.00 O ATOM 1932 CB VAL A 122 106.935 -11.062 9.534 1.00 0.00 C ATOM 1933 CG1 VAL A 122 106.569 -9.790 8.768 1.00 0.00 C ATOM 1934 CG2 VAL A 122 106.545 -12.287 8.710 1.00 0.00 C ATOM 0 H VAL A 122 108.480 -9.530 11.240 1.00 0.00 H new ATOM 0 HA VAL A 122 108.749 -12.143 9.789 1.00 0.00 H new ATOM 0 HB VAL A 122 106.395 -11.067 10.481 1.00 0.00 H new ATOM 0 HG11 VAL A 122 105.496 -9.778 8.574 1.00 0.00 H new ATOM 0 HG12 VAL A 122 106.840 -8.917 9.362 1.00 0.00 H new ATOM 0 HG13 VAL A 122 107.109 -9.767 7.822 1.00 0.00 H new ATOM 0 HG21 VAL A 122 105.474 -12.263 8.506 1.00 0.00 H new ATOM 0 HG22 VAL A 122 107.094 -12.282 7.768 1.00 0.00 H new ATOM 0 HG23 VAL A 122 106.788 -13.192 9.267 1.00 0.00 H new ATOM 1944 N GLU A 123 109.095 -10.666 7.566 1.00 0.00 N ATOM 1945 CA GLU A 123 109.814 -9.882 6.540 1.00 0.00 C ATOM 1946 C GLU A 123 109.175 -10.066 5.161 1.00 0.00 C ATOM 1947 O GLU A 123 109.223 -11.131 4.578 1.00 0.00 O ATOM 1948 CB GLU A 123 111.273 -10.335 6.492 1.00 0.00 C ATOM 1949 CG GLU A 123 111.362 -11.721 5.848 1.00 0.00 C ATOM 1950 CD GLU A 123 112.602 -12.448 6.371 1.00 0.00 C ATOM 1951 OE1 GLU A 123 113.504 -12.684 5.582 1.00 0.00 O ATOM 1952 OE2 GLU A 123 112.629 -12.759 7.549 1.00 0.00 O ATOM 0 H GLU A 123 108.576 -11.476 7.227 1.00 0.00 H new ATOM 0 HA GLU A 123 109.758 -8.826 6.805 1.00 0.00 H new ATOM 0 HB2 GLU A 123 111.867 -9.620 5.923 1.00 0.00 H new ATOM 0 HB3 GLU A 123 111.688 -10.364 7.499 1.00 0.00 H new ATOM 0 HG2 GLU A 123 110.466 -12.298 6.076 1.00 0.00 H new ATOM 0 HG3 GLU A 123 111.413 -11.627 4.763 1.00 0.00 H new ATOM 1959 N ALA A 124 108.601 -9.024 4.626 1.00 0.00 N ATOM 1960 CA ALA A 124 107.987 -9.118 3.274 1.00 0.00 C ATOM 1961 C ALA A 124 108.899 -8.397 2.284 1.00 0.00 C ATOM 1962 O ALA A 124 109.679 -7.547 2.662 1.00 0.00 O ATOM 1963 CB ALA A 124 106.603 -8.462 3.280 1.00 0.00 C ATOM 0 H ALA A 124 108.531 -8.108 5.070 1.00 0.00 H new ATOM 0 HA ALA A 124 107.872 -10.163 2.987 1.00 0.00 H new ATOM 0 HB1 ALA A 124 106.161 -8.536 2.286 1.00 0.00 H new ATOM 0 HB2 ALA A 124 105.962 -8.971 4.000 1.00 0.00 H new ATOM 0 HB3 ALA A 124 106.699 -7.412 3.558 1.00 0.00 H new ATOM 1969 N LYS A 125 108.823 -8.727 1.024 1.00 0.00 N ATOM 1970 CA LYS A 125 109.708 -8.050 0.041 1.00 0.00 C ATOM 1971 C LYS A 125 108.914 -7.625 -1.192 1.00 0.00 C ATOM 1972 O LYS A 125 108.113 -8.369 -1.724 1.00 0.00 O ATOM 1973 CB LYS A 125 110.826 -9.003 -0.383 1.00 0.00 C ATOM 1974 CG LYS A 125 112.019 -8.201 -0.912 1.00 0.00 C ATOM 1975 CD LYS A 125 113.266 -9.087 -0.916 1.00 0.00 C ATOM 1976 CE LYS A 125 112.942 -10.424 -1.586 1.00 0.00 C ATOM 1977 NZ LYS A 125 114.205 -11.175 -1.832 1.00 0.00 N ATOM 0 H LYS A 125 108.192 -9.429 0.637 1.00 0.00 H new ATOM 0 HA LYS A 125 110.134 -7.163 0.510 1.00 0.00 H new ATOM 0 HB2 LYS A 125 111.135 -9.616 0.464 1.00 0.00 H new ATOM 0 HB3 LYS A 125 110.463 -9.684 -1.153 1.00 0.00 H new ATOM 0 HG2 LYS A 125 111.811 -7.842 -1.920 1.00 0.00 H new ATOM 0 HG3 LYS A 125 112.186 -7.323 -0.289 1.00 0.00 H new ATOM 0 HD2 LYS A 125 114.077 -8.589 -1.448 1.00 0.00 H new ATOM 0 HD3 LYS A 125 113.609 -9.254 0.105 1.00 0.00 H new ATOM 0 HE2 LYS A 125 112.276 -11.009 -0.952 1.00 0.00 H new ATOM 0 HE3 LYS A 125 112.418 -10.254 -2.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 113.980 -12.130 -2.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 114.773 -10.674 -2.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 114.745 -11.246 -0.946 1.00 0.00 H new ATOM 1991 N ARG A 126 109.152 -6.430 -1.651 1.00 0.00 N ATOM 1992 CA ARG A 126 108.446 -5.922 -2.860 1.00 0.00 C ATOM 1993 C ARG A 126 109.499 -5.468 -3.872 1.00 0.00 C ATOM 1994 O ARG A 126 110.266 -4.563 -3.612 1.00 0.00 O ATOM 1995 CB ARG A 126 107.554 -4.742 -2.471 1.00 0.00 C ATOM 1996 CG ARG A 126 106.411 -5.241 -1.582 1.00 0.00 C ATOM 1997 CD ARG A 126 105.269 -5.780 -2.451 1.00 0.00 C ATOM 1998 NE ARG A 126 104.115 -4.838 -2.388 1.00 0.00 N ATOM 1999 CZ ARG A 126 103.389 -4.616 -3.450 1.00 0.00 C ATOM 2000 NH1 ARG A 126 102.377 -3.794 -3.385 1.00 0.00 N ATOM 2001 NH2 ARG A 126 103.670 -5.212 -4.576 1.00 0.00 N ATOM 0 H ARG A 126 109.814 -5.775 -1.235 1.00 0.00 H new ATOM 0 HA ARG A 126 107.823 -6.704 -3.295 1.00 0.00 H new ATOM 0 HB2 ARG A 126 108.138 -3.989 -1.943 1.00 0.00 H new ATOM 0 HB3 ARG A 126 107.153 -4.265 -3.365 1.00 0.00 H new ATOM 0 HG2 ARG A 126 106.773 -6.024 -0.916 1.00 0.00 H new ATOM 0 HG3 ARG A 126 106.048 -4.429 -0.952 1.00 0.00 H new ATOM 0 HD2 ARG A 126 105.604 -5.894 -3.482 1.00 0.00 H new ATOM 0 HD3 ARG A 126 104.967 -6.768 -2.103 1.00 0.00 H new ATOM 0 HE ARG A 126 103.892 -4.365 -1.512 1.00 0.00 H new ATOM 0 HH11 ARG A 126 102.155 -3.327 -2.506 1.00 0.00 H new ATOM 0 HH12 ARG A 126 101.808 -3.619 -4.213 1.00 0.00 H new ATOM 0 HH21 ARG A 126 104.460 -5.855 -4.629 1.00 0.00 H new ATOM 0 HH22 ARG A 126 103.100 -5.035 -5.403 1.00 0.00 H new ATOM 2015 N ILE A 127 109.566 -6.105 -5.010 1.00 0.00 N ATOM 2016 CA ILE A 127 110.600 -5.723 -6.017 1.00 0.00 C ATOM 2017 C ILE A 127 109.955 -5.064 -7.236 1.00 0.00 C ATOM 2018 O ILE A 127 109.100 -5.636 -7.883 1.00 0.00 O ATOM 2019 CB ILE A 127 111.343 -6.978 -6.476 1.00 0.00 C ATOM 2020 CG1 ILE A 127 111.798 -7.790 -5.258 1.00 0.00 C ATOM 2021 CG2 ILE A 127 112.566 -6.575 -7.307 1.00 0.00 C ATOM 2022 CD1 ILE A 127 111.780 -9.279 -5.605 1.00 0.00 C ATOM 0 H ILE A 127 108.952 -6.871 -5.286 1.00 0.00 H new ATOM 0 HA ILE A 127 111.288 -5.016 -5.554 1.00 0.00 H new ATOM 0 HB ILE A 127 110.674 -7.587 -7.083 1.00 0.00 H new ATOM 0 HG12 ILE A 127 112.802 -7.487 -4.959 1.00 0.00 H new ATOM 0 HG13 ILE A 127 111.141 -7.595 -4.411 1.00 0.00 H new ATOM 0 HG21 ILE A 127 113.095 -7.470 -7.634 1.00 0.00 H new ATOM 0 HG22 ILE A 127 112.242 -6.006 -8.179 1.00 0.00 H new ATOM 0 HG23 ILE A 127 113.232 -5.961 -6.700 1.00 0.00 H new ATOM 0 HD11 ILE A 127 112.103 -9.858 -4.740 1.00 0.00 H new ATOM 0 HD12 ILE A 127 110.769 -9.576 -5.883 1.00 0.00 H new ATOM 0 HD13 ILE A 127 112.455 -9.466 -6.440 1.00 0.00 H new ATOM 2034 N PHE A 128 110.377 -3.873 -7.572 1.00 0.00 N ATOM 2035 CA PHE A 128 109.808 -3.193 -8.769 1.00 0.00 C ATOM 2036 C PHE A 128 110.763 -3.375 -9.951 1.00 0.00 C ATOM 2037 O PHE A 128 111.841 -3.922 -9.818 1.00 0.00 O ATOM 2038 CB PHE A 128 109.644 -1.682 -8.524 1.00 0.00 C ATOM 2039 CG PHE A 128 108.819 -1.400 -7.286 1.00 0.00 C ATOM 2040 CD1 PHE A 128 108.081 -2.415 -6.685 1.00 0.00 C ATOM 2041 CD2 PHE A 128 108.782 -0.103 -6.756 1.00 0.00 C ATOM 2042 CE1 PHE A 128 107.301 -2.147 -5.554 1.00 0.00 C ATOM 2043 CE2 PHE A 128 108.005 0.169 -5.622 1.00 0.00 C ATOM 2044 CZ PHE A 128 107.263 -0.854 -5.022 1.00 0.00 C ATOM 0 H PHE A 128 111.090 -3.344 -7.069 1.00 0.00 H new ATOM 0 HA PHE A 128 108.833 -3.633 -8.975 1.00 0.00 H new ATOM 0 HB2 PHE A 128 110.627 -1.222 -8.419 1.00 0.00 H new ATOM 0 HB3 PHE A 128 109.168 -1.223 -9.390 1.00 0.00 H new ATOM 0 HD1 PHE A 128 108.110 -3.414 -7.093 1.00 0.00 H new ATOM 0 HD2 PHE A 128 109.352 0.687 -7.222 1.00 0.00 H new ATOM 0 HE1 PHE A 128 106.729 -2.938 -5.092 1.00 0.00 H new ATOM 0 HE2 PHE A 128 107.979 1.168 -5.212 1.00 0.00 H new ATOM 0 HZ PHE A 128 106.662 -0.646 -4.149 1.00 0.00 H new ATOM 2054 N LYS A 129 110.373 -2.897 -11.101 1.00 0.00 N ATOM 2055 CA LYS A 129 111.233 -3.014 -12.310 1.00 0.00 C ATOM 2056 C LYS A 129 110.854 -1.901 -13.293 1.00 0.00 C ATOM 2057 O LYS A 129 109.726 -1.451 -13.326 1.00 0.00 O ATOM 2058 CB LYS A 129 111.014 -4.377 -12.969 1.00 0.00 C ATOM 2059 CG LYS A 129 112.174 -4.679 -13.919 1.00 0.00 C ATOM 2060 CD LYS A 129 113.321 -5.327 -13.139 1.00 0.00 C ATOM 2061 CE LYS A 129 113.100 -6.839 -13.064 1.00 0.00 C ATOM 2062 NZ LYS A 129 113.982 -7.418 -12.012 1.00 0.00 N ATOM 0 H LYS A 129 109.482 -2.424 -11.255 1.00 0.00 H new ATOM 0 HA LYS A 129 112.282 -2.921 -12.029 1.00 0.00 H new ATOM 0 HB2 LYS A 129 110.943 -5.153 -12.207 1.00 0.00 H new ATOM 0 HB3 LYS A 129 110.072 -4.380 -13.517 1.00 0.00 H new ATOM 0 HG2 LYS A 129 111.841 -5.344 -14.716 1.00 0.00 H new ATOM 0 HG3 LYS A 129 112.517 -3.760 -14.394 1.00 0.00 H new ATOM 0 HD2 LYS A 129 114.272 -5.112 -13.626 1.00 0.00 H new ATOM 0 HD3 LYS A 129 113.374 -4.907 -12.135 1.00 0.00 H new ATOM 0 HE2 LYS A 129 112.056 -7.054 -12.837 1.00 0.00 H new ATOM 0 HE3 LYS A 129 113.317 -7.297 -14.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 113.784 -8.434 -11.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 114.978 -7.284 -12.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 113.801 -6.941 -11.106 1.00 0.00 H new ATOM 2076 N LYS A 130 111.787 -1.444 -14.080 1.00 0.00 N ATOM 2077 CA LYS A 130 111.477 -0.350 -15.044 1.00 0.00 C ATOM 2078 C LYS A 130 110.177 -0.670 -15.784 1.00 0.00 C ATOM 2079 O LYS A 130 109.958 -1.780 -16.226 1.00 0.00 O ATOM 2080 CB LYS A 130 112.625 -0.219 -16.053 1.00 0.00 C ATOM 2081 CG LYS A 130 113.085 1.239 -16.128 1.00 0.00 C ATOM 2082 CD LYS A 130 114.038 1.413 -17.313 1.00 0.00 C ATOM 2083 CE LYS A 130 114.354 2.898 -17.502 1.00 0.00 C ATOM 2084 NZ LYS A 130 115.008 3.102 -18.825 1.00 0.00 N ATOM 0 H LYS A 130 112.750 -1.780 -14.098 1.00 0.00 H new ATOM 0 HA LYS A 130 111.360 0.589 -14.502 1.00 0.00 H new ATOM 0 HB2 LYS A 130 113.457 -0.858 -15.756 1.00 0.00 H new ATOM 0 HB3 LYS A 130 112.298 -0.558 -17.036 1.00 0.00 H new ATOM 0 HG2 LYS A 130 112.224 1.898 -16.240 1.00 0.00 H new ATOM 0 HG3 LYS A 130 113.584 1.522 -15.201 1.00 0.00 H new ATOM 0 HD2 LYS A 130 114.958 0.854 -17.139 1.00 0.00 H new ATOM 0 HD3 LYS A 130 113.586 1.009 -18.219 1.00 0.00 H new ATOM 0 HE2 LYS A 130 113.438 3.486 -17.443 1.00 0.00 H new ATOM 0 HE3 LYS A 130 115.009 3.246 -16.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 115.223 4.111 -18.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 115.890 2.552 -18.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 114.368 2.785 -19.581 1.00 0.00 H new ATOM 2098 N ASP A 131 109.315 0.299 -15.921 1.00 0.00 N ATOM 2099 CA ASP A 131 108.027 0.058 -16.631 1.00 0.00 C ATOM 2100 C ASP A 131 108.292 -0.093 -18.130 1.00 0.00 C ATOM 2101 O ASP A 131 107.865 -1.089 -18.691 1.00 0.00 O ATOM 2102 CB ASP A 131 107.086 1.242 -16.397 1.00 0.00 C ATOM 2103 CG ASP A 131 105.832 1.077 -17.257 1.00 0.00 C ATOM 2104 OD1 ASP A 131 105.209 2.082 -17.558 1.00 0.00 O ATOM 2105 OD2 ASP A 131 105.518 -0.050 -17.602 1.00 0.00 O ATOM 0 H ASP A 131 109.447 1.248 -15.572 1.00 0.00 H new ATOM 0 HA ASP A 131 107.567 -0.853 -16.249 1.00 0.00 H new ATOM 0 HB2 ASP A 131 106.812 1.299 -15.344 1.00 0.00 H new ATOM 0 HB3 ASP A 131 107.590 2.176 -16.647 1.00 0.00 H new TER 2110 ASP A 131