USER MOD reduce.3.24.130724 H: found=0, std=0, add=975, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 0 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 106 ASN : amide:sc= 1.61 K(o=3,f=-11!) USER MOD Set 1.2: A 139 TYR OH : rot 169:sc= 1.37 USER MOD Set 2.1: A 115 LYS NZ :NH3+ -175:sc= -0.232 (180deg=-0.399) USER MOD Set 2.2: A 116 HIS : no HE2:sc= 0.53 K(o=0.3,f=-2!) USER MOD Set 2.3: A 119 LYS NZ :NH3+ -113:sc= 0.00444 (180deg=0) USER MOD Set 3.1: A 29 TYR OH : rot -156:sc= 1.19 USER MOD Set 3.2: A 31 SER OG : rot 145:sc= 2.96 USER MOD Set 3.3: A 108 TYR OH : rot 180:sc= 0.757 USER MOD Set 4.1: A 90 SER OG : rot -141:sc= 0.24 USER MOD Set 4.2: A 91 GLN : amide:sc= 0.136 K(o=0.53,f=-4.9!) USER MOD Set 4.3: A 92 THR OG1 : rot 30:sc= 0.152 USER MOD Set 5.1: A 75 THR OG1 : rot 156:sc= 1.03 USER MOD Set 5.2: A 77 GLN : amide:sc= 0.896 K(o=1.9,f=-2.2!) USER MOD Single : A 30 CYS SG : rot -97:sc= -0.235 USER MOD Single : A 32 ASN : amide:sc= 0.436 K(o=0.44,f=-5!) USER MOD Single : A 35 HIS : no HE2:sc= -1.98! X(o=-2!,f=-1.6) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0109 USER MOD Single : A 48 THR OG1 : rot -129:sc= -0.03 USER MOD Single : A 52 SER OG : rot 168:sc= -0.303 USER MOD Single : A 54 GLN : amide:sc= -0.741 K(o=-0.74,f=-2.3) USER MOD Single : A 55 HIS : no HD1:sc= -0.554 K(o=-0.55,f=-4.1!) USER MOD Single : A 57 GLN :FLIP amide:sc= 0.383 F(o=-0.42,f=0.38) USER MOD Single : A 59 GLN :FLIP amide:sc= -1.57 F(o=-2.6!,f=-1.6) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -67:sc= 1.75 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot -160:sc= -0.107 USER MOD Single : A 73 THR OG1 : rot -52:sc= 0.3 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl 166:sc= -0.212 (180deg=-0.412) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0432 USER MOD Single : A 88 TYR OH : rot -164:sc= 0.0133 USER MOD Single : A 94 ASN : amide:sc= -0.586 K(o=-0.59,f=-2.2) USER MOD Single : A 97 CYS SG : rot 58:sc= -2.47! USER MOD Single : A 107 HIS : no HE2:sc= 0.0546 K(o=0.055,f=-0.72) USER MOD Single : A 109 ASN : amide:sc= 0.0956 K(o=0.096,f=-3.5!) USER MOD Single : A 110 THR OG1 : rot -27:sc= 0.211 USER MOD Single : A 111 TYR OH : rot 15:sc= 0 USER MOD Single : A 113 SER OG : rot -34:sc= 0.917 USER MOD Single : A 114 LYS NZ :NH3+ 174:sc= 0.179 (180deg=0.162) USER MOD Single : A 120 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 159:sc= -0.072 (180deg=-0.459) USER MOD Single : A 128 ASN : amide:sc= 0.00676 X(o=0.0068,f=0) USER MOD Single : A 130 SER OG : rot 6:sc= 1.13 USER MOD Single : A 131 CYS SG : rot 4:sc= -1.98! USER MOD Single : A 132 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.0229) USER MOD Single : A 137 THR OG1 : rot 135:sc= 1.13 USER MOD Single : A 138 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 141 GLN : amide:sc= -0.269 K(o=-0.27,f=-0.82) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 11 N ALA A 26 1.923 -5.217 11.876 1.00 0.00 N ATOM 12 CA ALA A 26 2.237 -5.475 10.459 1.00 0.00 C ATOM 13 C ALA A 26 3.055 -4.354 9.818 1.00 0.00 C ATOM 14 O ALA A 26 2.795 -3.167 10.014 1.00 0.00 O ATOM 15 CB ALA A 26 0.977 -5.762 9.649 1.00 0.00 C ATOM 0 HA ALA A 26 2.862 -6.368 10.446 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.247 -5.947 8.609 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.475 -6.640 10.056 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.307 -4.904 9.702 1.00 0.00 H new ATOM 16 N LEU A 27 4.075 -4.814 9.110 1.00 0.00 N ATOM 17 CA LEU A 27 4.944 -3.950 8.292 1.00 0.00 C ATOM 18 C LEU A 27 4.865 -4.319 6.818 1.00 0.00 C ATOM 19 O LEU A 27 4.717 -5.482 6.455 1.00 0.00 O ATOM 20 CB LEU A 27 6.411 -4.067 8.733 1.00 0.00 C ATOM 21 CG LEU A 27 6.687 -3.523 10.128 1.00 0.00 C ATOM 22 CD1 LEU A 27 7.464 -4.559 10.932 1.00 0.00 C ATOM 23 CD2 LEU A 27 7.511 -2.244 10.012 1.00 0.00 C ATOM 0 H LEU A 27 4.333 -5.800 9.080 1.00 0.00 H new ATOM 0 HA LEU A 27 4.591 -2.929 8.435 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.707 -5.116 8.699 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.038 -3.535 8.017 1.00 0.00 H new ATOM 0 HG LEU A 27 5.745 -3.307 10.632 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.662 -4.170 11.931 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.878 -5.475 11.008 1.00 0.00 H new ATOM 0 HD13 LEU A 27 8.409 -4.774 10.432 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.712 -1.849 11.008 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.454 -2.463 9.511 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.956 -1.505 9.434 1.00 0.00 H new ATOM 24 N LEU A 28 4.982 -3.284 5.993 1.00 0.00 N ATOM 25 CA LEU A 28 4.953 -3.419 4.535 1.00 0.00 C ATOM 26 C LEU A 28 6.212 -2.775 3.955 1.00 0.00 C ATOM 27 O LEU A 28 6.393 -1.551 4.016 1.00 0.00 O ATOM 28 CB LEU A 28 3.700 -2.730 4.007 1.00 0.00 C ATOM 29 CG LEU A 28 3.375 -3.109 2.552 1.00 0.00 C ATOM 30 CD1 LEU A 28 3.102 -4.600 2.384 1.00 0.00 C ATOM 31 CD2 LEU A 28 2.127 -2.347 2.091 1.00 0.00 C ATOM 0 H LEU A 28 5.100 -2.323 6.314 1.00 0.00 H new ATOM 0 HA LEU A 28 4.930 -4.469 4.242 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.854 -2.990 4.642 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.830 -1.650 4.075 1.00 0.00 H new ATOM 0 HG LEU A 28 4.248 -2.847 1.954 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.878 -4.813 1.339 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.981 -5.168 2.690 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.252 -4.886 3.003 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.897 -2.616 1.060 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.284 -2.608 2.731 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.312 -1.275 2.154 1.00 0.00 H new ATOM 32 N TYR A 29 7.106 -3.665 3.551 1.00 0.00 N ATOM 33 CA TYR A 29 8.375 -3.310 2.913 1.00 0.00 C ATOM 34 C TYR A 29 8.152 -3.245 1.399 1.00 0.00 C ATOM 35 O TYR A 29 7.384 -3.998 0.815 1.00 0.00 O ATOM 36 CB TYR A 29 9.380 -4.397 3.304 1.00 0.00 C ATOM 37 CG TYR A 29 10.674 -4.410 2.510 1.00 0.00 C ATOM 38 CD1 TYR A 29 11.534 -3.289 2.549 1.00 0.00 C ATOM 39 CD2 TYR A 29 10.825 -5.448 1.560 1.00 0.00 C ATOM 40 CE1 TYR A 29 12.542 -3.185 1.575 1.00 0.00 C ATOM 41 CE2 TYR A 29 11.836 -5.344 0.595 1.00 0.00 C ATOM 42 CZ TYR A 29 12.661 -4.198 0.608 1.00 0.00 C ATOM 43 OH TYR A 29 13.431 -3.953 -0.481 1.00 0.00 O ATOM 0 H TYR A 29 6.973 -4.671 3.657 1.00 0.00 H new ATOM 0 HA TYR A 29 8.755 -2.339 3.230 1.00 0.00 H new ATOM 0 HB2 TYR A 29 9.624 -4.279 4.360 1.00 0.00 H new ATOM 0 HB3 TYR A 29 8.898 -5.369 3.195 1.00 0.00 H new ATOM 0 HD1 TYR A 29 11.419 -2.530 3.309 1.00 0.00 H new ATOM 0 HD2 TYR A 29 10.171 -6.307 1.578 1.00 0.00 H new ATOM 0 HE1 TYR A 29 13.215 -2.340 1.570 1.00 0.00 H new ATOM 0 HE2 TYR A 29 11.981 -6.121 -0.141 1.00 0.00 H new ATOM 0 HH TYR A 29 13.140 -4.524 -1.222 1.00 0.00 H new ATOM 44 N CYS A 30 8.866 -2.312 0.804 1.00 0.00 N ATOM 45 CA CYS A 30 8.662 -1.965 -0.610 1.00 0.00 C ATOM 46 C CYS A 30 9.996 -2.012 -1.358 1.00 0.00 C ATOM 47 O CYS A 30 10.804 -1.084 -1.266 1.00 0.00 O ATOM 48 CB CYS A 30 8.082 -0.551 -0.653 1.00 0.00 C ATOM 49 SG CYS A 30 6.668 -0.251 0.476 1.00 0.00 S ATOM 0 H CYS A 30 9.597 -1.773 1.268 1.00 0.00 H new ATOM 0 HA CYS A 30 7.984 -2.672 -1.088 1.00 0.00 H new ATOM 0 HB2 CYS A 30 8.875 0.157 -0.412 1.00 0.00 H new ATOM 0 HB3 CYS A 30 7.763 -0.337 -1.673 1.00 0.00 H new ATOM 0 HG CYS A 30 5.553 -0.388 -0.179 1.00 0.00 H new ATOM 50 N SER A 31 10.172 -3.059 -2.142 1.00 0.00 N ATOM 51 CA SER A 31 11.347 -3.170 -3.038 1.00 0.00 C ATOM 52 C SER A 31 11.349 -2.192 -4.221 1.00 0.00 C ATOM 53 O SER A 31 12.287 -2.147 -5.019 1.00 0.00 O ATOM 54 CB SER A 31 11.607 -4.586 -3.551 1.00 0.00 C ATOM 55 OG SER A 31 12.197 -5.352 -2.493 1.00 0.00 O ATOM 0 H SER A 31 9.530 -3.850 -2.189 1.00 0.00 H new ATOM 0 HA SER A 31 12.166 -2.887 -2.377 1.00 0.00 H new ATOM 0 HB2 SER A 31 10.675 -5.047 -3.878 1.00 0.00 H new ATOM 0 HB3 SER A 31 12.271 -4.560 -4.415 1.00 0.00 H new ATOM 0 HG SER A 31 11.883 -6.279 -2.546 1.00 0.00 H new ATOM 56 N ASN A 32 10.313 -1.363 -4.249 1.00 0.00 N ATOM 57 CA ASN A 32 10.207 -0.119 -5.016 1.00 0.00 C ATOM 58 C ASN A 32 11.509 0.712 -5.011 1.00 0.00 C ATOM 59 O ASN A 32 11.779 1.473 -5.941 1.00 0.00 O ATOM 60 CB ASN A 32 9.074 0.664 -4.343 1.00 0.00 C ATOM 61 CG ASN A 32 8.504 1.881 -5.086 1.00 0.00 C ATOM 62 OD1 ASN A 32 7.306 1.995 -5.302 1.00 0.00 O ATOM 63 ND2 ASN A 32 9.323 2.852 -5.421 1.00 0.00 N ATOM 0 H ASN A 32 9.471 -1.549 -3.705 1.00 0.00 H new ATOM 0 HA ASN A 32 10.015 -0.336 -6.067 1.00 0.00 H new ATOM 0 HB2 ASN A 32 8.253 -0.029 -4.156 1.00 0.00 H new ATOM 0 HB3 ASN A 32 9.433 1.003 -3.371 1.00 0.00 H new ATOM 0 HD21 ASN A 32 8.959 3.698 -5.860 1.00 0.00 H new ATOM 0 HD22 ASN A 32 10.323 2.760 -5.242 1.00 0.00 H new ATOM 64 N GLY A 33 12.165 0.718 -3.850 1.00 0.00 N ATOM 65 CA GLY A 33 13.489 1.334 -3.617 1.00 0.00 C ATOM 66 C GLY A 33 13.887 1.317 -2.132 1.00 0.00 C ATOM 67 O GLY A 33 14.304 2.347 -1.603 1.00 0.00 O ATOM 0 H GLY A 33 11.783 0.281 -3.011 1.00 0.00 H new ATOM 0 HA2 GLY A 33 14.242 0.802 -4.199 1.00 0.00 H new ATOM 0 HA3 GLY A 33 13.477 2.363 -3.976 1.00 0.00 H new ATOM 68 N GLY A 34 13.764 0.141 -1.519 1.00 0.00 N ATOM 69 CA GLY A 34 14.011 -0.084 -0.078 1.00 0.00 C ATOM 70 C GLY A 34 13.177 0.775 0.875 1.00 0.00 C ATOM 71 O GLY A 34 13.662 1.158 1.941 1.00 0.00 O ATOM 0 H GLY A 34 13.484 -0.707 -2.013 1.00 0.00 H new ATOM 0 HA2 GLY A 34 13.821 -1.134 0.146 1.00 0.00 H new ATOM 0 HA3 GLY A 34 15.066 0.099 0.125 1.00 0.00 H new ATOM 72 N HIS A 35 11.889 0.873 0.580 1.00 0.00 N ATOM 73 CA HIS A 35 10.983 1.732 1.367 1.00 0.00 C ATOM 74 C HIS A 35 10.023 0.922 2.242 1.00 0.00 C ATOM 75 O HIS A 35 9.984 -0.310 2.190 1.00 0.00 O ATOM 76 CB HIS A 35 10.094 2.629 0.502 1.00 0.00 C ATOM 77 CG HIS A 35 10.796 3.463 -0.580 1.00 0.00 C ATOM 78 ND1 HIS A 35 10.357 3.630 -1.829 1.00 0.00 N ATOM 79 CD2 HIS A 35 11.824 4.279 -0.397 1.00 0.00 C ATOM 80 CE1 HIS A 35 11.134 4.540 -2.423 1.00 0.00 C ATOM 81 NE2 HIS A 35 12.049 4.934 -1.532 1.00 0.00 N ATOM 0 H HIS A 35 11.440 0.377 -0.190 1.00 0.00 H new ATOM 0 HA HIS A 35 11.663 2.333 1.970 1.00 0.00 H new ATOM 0 HB2 HIS A 35 9.348 2.000 0.016 1.00 0.00 H new ATOM 0 HB3 HIS A 35 9.556 3.311 1.161 1.00 0.00 H new ATOM 0 HD1 HIS A 35 9.566 3.147 -2.256 1.00 0.00 H new ATOM 0 HD2 HIS A 35 12.384 4.393 0.519 1.00 0.00 H new ATOM 0 HE1 HIS A 35 11.040 4.893 -3.439 1.00 0.00 H new ATOM 82 N PHE A 36 9.409 1.632 3.184 1.00 0.00 N ATOM 83 CA PHE A 36 8.224 1.181 3.911 1.00 0.00 C ATOM 84 C PHE A 36 7.024 2.094 3.654 1.00 0.00 C ATOM 85 O PHE A 36 7.174 3.257 3.293 1.00 0.00 O ATOM 86 CB PHE A 36 8.546 1.184 5.400 1.00 0.00 C ATOM 87 CG PHE A 36 9.332 -0.065 5.782 1.00 0.00 C ATOM 88 CD1 PHE A 36 10.733 -0.053 5.581 1.00 0.00 C ATOM 89 CD2 PHE A 36 8.670 -1.219 6.257 1.00 0.00 C ATOM 90 CE1 PHE A 36 11.479 -1.232 5.818 1.00 0.00 C ATOM 91 CE2 PHE A 36 9.417 -2.393 6.515 1.00 0.00 C ATOM 92 CZ PHE A 36 10.812 -2.386 6.284 1.00 0.00 C ATOM 0 H PHE A 36 9.728 2.558 3.470 1.00 0.00 H new ATOM 0 HA PHE A 36 7.962 0.180 3.567 1.00 0.00 H new ATOM 0 HB2 PHE A 36 9.123 2.074 5.651 1.00 0.00 H new ATOM 0 HB3 PHE A 36 7.622 1.230 5.977 1.00 0.00 H new ATOM 0 HD1 PHE A 36 11.228 0.848 5.250 1.00 0.00 H new ATOM 0 HD2 PHE A 36 7.603 -1.205 6.422 1.00 0.00 H new ATOM 0 HE1 PHE A 36 12.545 -1.249 5.645 1.00 0.00 H new ATOM 0 HE2 PHE A 36 8.928 -3.283 6.884 1.00 0.00 H new ATOM 0 HZ PHE A 36 11.381 -3.285 6.468 1.00 0.00 H new ATOM 93 N LEU A 37 5.853 1.510 3.859 1.00 0.00 N ATOM 94 CA LEU A 37 4.577 2.196 3.653 1.00 0.00 C ATOM 95 C LEU A 37 4.087 2.886 4.946 1.00 0.00 C ATOM 96 O LEU A 37 3.469 2.293 5.817 1.00 0.00 O ATOM 97 CB LEU A 37 3.570 1.155 3.165 1.00 0.00 C ATOM 98 CG LEU A 37 2.426 1.883 2.464 1.00 0.00 C ATOM 99 CD1 LEU A 37 2.673 1.979 0.957 1.00 0.00 C ATOM 100 CD2 LEU A 37 1.113 1.150 2.744 1.00 0.00 C ATOM 0 H LEU A 37 5.756 0.545 4.174 1.00 0.00 H new ATOM 0 HA LEU A 37 4.694 2.987 2.913 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.050 0.455 2.481 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.191 0.572 4.004 1.00 0.00 H new ATOM 0 HG LEU A 37 2.366 2.899 2.854 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.842 2.502 0.485 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.598 2.527 0.774 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.756 0.976 0.537 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.294 1.667 2.245 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.179 0.129 2.369 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.929 1.131 3.818 1.00 0.00 H new ATOM 101 N ARG A 38 4.377 4.186 4.989 1.00 0.00 N ATOM 102 CA ARG A 38 4.128 5.051 6.159 1.00 0.00 C ATOM 103 C ARG A 38 2.782 5.789 6.056 1.00 0.00 C ATOM 104 O ARG A 38 2.575 6.573 5.135 1.00 0.00 O ATOM 105 CB ARG A 38 5.261 6.073 6.274 1.00 0.00 C ATOM 106 CG ARG A 38 6.596 5.401 6.629 1.00 0.00 C ATOM 107 CD ARG A 38 7.141 5.854 7.980 1.00 0.00 C ATOM 108 NE ARG A 38 7.692 7.210 7.842 1.00 0.00 N ATOM 109 CZ ARG A 38 7.954 8.083 8.820 1.00 0.00 C ATOM 110 NH1 ARG A 38 7.806 7.796 10.106 1.00 0.00 N ATOM 111 NH2 ARG A 38 8.516 9.239 8.505 1.00 0.00 N ATOM 0 H ARG A 38 4.798 4.683 4.204 1.00 0.00 H new ATOM 0 HA ARG A 38 4.089 4.417 7.045 1.00 0.00 H new ATOM 0 HB2 ARG A 38 5.363 6.611 5.332 1.00 0.00 H new ATOM 0 HB3 ARG A 38 5.010 6.810 7.036 1.00 0.00 H new ATOM 0 HG2 ARG A 38 6.462 4.319 6.640 1.00 0.00 H new ATOM 0 HG3 ARG A 38 7.328 5.624 5.853 1.00 0.00 H new ATOM 0 HD2 ARG A 38 6.349 5.844 8.728 1.00 0.00 H new ATOM 0 HD3 ARG A 38 7.914 5.167 8.324 1.00 0.00 H new ATOM 0 HE ARG A 38 7.898 7.520 6.892 1.00 0.00 H new ATOM 0 HH11 ARG A 38 7.478 6.872 10.388 1.00 0.00 H new ATOM 0 HH12 ARG A 38 8.020 8.499 10.813 1.00 0.00 H new ATOM 0 HH21 ARG A 38 8.740 9.449 7.532 1.00 0.00 H new ATOM 0 HH22 ARG A 38 8.725 9.920 9.235 1.00 0.00 H new ATOM 112 N ILE A 39 1.879 5.487 6.984 1.00 0.00 N ATOM 113 CA ILE A 39 0.583 6.201 7.090 1.00 0.00 C ATOM 114 C ILE A 39 0.726 7.539 7.828 1.00 0.00 C ATOM 115 O ILE A 39 0.863 7.582 9.053 1.00 0.00 O ATOM 116 CB ILE A 39 -0.565 5.327 7.653 1.00 0.00 C ATOM 117 CG1 ILE A 39 -1.880 6.115 7.726 1.00 0.00 C ATOM 118 CG2 ILE A 39 -0.289 4.695 9.023 1.00 0.00 C ATOM 119 CD1 ILE A 39 -2.612 6.153 6.381 1.00 0.00 C ATOM 0 H ILE A 39 2.009 4.753 7.681 1.00 0.00 H new ATOM 0 HA ILE A 39 0.284 6.431 6.067 1.00 0.00 H new ATOM 0 HB ILE A 39 -0.644 4.506 6.941 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.529 5.665 8.477 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.672 7.134 8.053 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.151 4.103 9.331 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.588 4.051 8.957 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.108 5.481 9.756 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.536 6.722 6.485 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.976 6.628 5.634 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.846 5.136 6.065 1.00 0.00 H new ATOM 120 N LEU A 40 0.635 8.611 7.060 1.00 0.00 N ATOM 121 CA LEU A 40 0.503 9.962 7.654 1.00 0.00 C ATOM 122 C LEU A 40 -0.967 10.249 7.964 1.00 0.00 C ATOM 123 O LEU A 40 -1.821 10.026 7.093 1.00 0.00 O ATOM 124 CB LEU A 40 1.086 11.060 6.759 1.00 0.00 C ATOM 125 CG LEU A 40 2.611 11.159 6.868 1.00 0.00 C ATOM 126 CD1 LEU A 40 3.339 10.012 6.169 1.00 0.00 C ATOM 127 CD2 LEU A 40 3.046 12.484 6.231 1.00 0.00 C ATOM 0 H LEU A 40 0.648 8.591 6.040 1.00 0.00 H new ATOM 0 HA LEU A 40 1.083 9.971 8.577 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.811 10.863 5.723 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.643 12.018 7.030 1.00 0.00 H new ATOM 0 HG LEU A 40 2.874 11.104 7.924 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.415 10.141 6.283 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.038 9.064 6.615 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.084 10.011 5.109 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.130 12.580 6.295 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.742 12.502 5.185 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.576 13.313 6.760 1.00 0.00 H new ATOM 128 N PRO A 41 -1.275 10.747 9.173 1.00 0.00 N ATOM 129 CA PRO A 41 -2.650 11.099 9.584 1.00 0.00 C ATOM 130 C PRO A 41 -3.294 12.181 8.695 1.00 0.00 C ATOM 131 O PRO A 41 -4.485 12.083 8.391 1.00 0.00 O ATOM 132 CB PRO A 41 -2.540 11.551 11.034 1.00 0.00 C ATOM 133 CG PRO A 41 -1.070 11.951 11.200 1.00 0.00 C ATOM 134 CD PRO A 41 -0.329 10.989 10.279 1.00 0.00 C ATOM 0 HA PRO A 41 -3.311 10.239 9.474 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -3.205 12.389 11.240 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -2.814 10.750 11.721 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -0.902 12.989 10.913 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -0.741 11.849 12.234 1.00 0.00 H new ATOM 0 HD2 PRO A 41 0.604 11.422 9.918 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -0.072 10.063 10.793 1.00 0.00 H new ATOM 135 N ASP A 42 -2.501 13.159 8.273 1.00 0.00 N ATOM 136 CA ASP A 42 -2.956 14.252 7.382 1.00 0.00 C ATOM 137 C ASP A 42 -2.975 13.859 5.901 1.00 0.00 C ATOM 138 O ASP A 42 -2.185 14.334 5.087 1.00 0.00 O ATOM 139 CB ASP A 42 -2.132 15.531 7.655 1.00 0.00 C ATOM 140 CG ASP A 42 -0.640 15.412 7.317 1.00 0.00 C ATOM 141 OD1 ASP A 42 0.012 14.528 7.930 1.00 0.00 O ATOM 142 OD2 ASP A 42 -0.173 16.229 6.493 1.00 0.00 O ATOM 0 H ASP A 42 -1.517 13.228 8.533 1.00 0.00 H new ATOM 0 HA ASP A 42 -3.999 14.462 7.620 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -2.558 16.352 7.078 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.233 15.795 8.708 1.00 0.00 H new ATOM 143 N GLY A 43 -3.850 12.899 5.618 1.00 0.00 N ATOM 144 CA GLY A 43 -4.132 12.414 4.261 1.00 0.00 C ATOM 145 C GLY A 43 -3.073 11.428 3.740 1.00 0.00 C ATOM 146 O GLY A 43 -3.125 10.242 4.040 1.00 0.00 O ATOM 0 H GLY A 43 -4.396 12.424 6.336 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.108 11.929 4.251 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -4.192 13.265 3.583 1.00 0.00 H new ATOM 147 N THR A 44 -2.039 12.001 3.122 1.00 0.00 N ATOM 148 CA THR A 44 -1.053 11.283 2.278 1.00 0.00 C ATOM 149 C THR A 44 -0.183 10.229 2.981 1.00 0.00 C ATOM 150 O THR A 44 0.672 10.532 3.798 1.00 0.00 O ATOM 151 CB THR A 44 -0.150 12.320 1.582 1.00 0.00 C ATOM 152 OG1 THR A 44 -0.977 13.364 1.081 1.00 0.00 O ATOM 153 CG2 THR A 44 0.652 11.721 0.420 1.00 0.00 C ATOM 0 H THR A 44 -1.850 13.001 3.189 1.00 0.00 H new ATOM 0 HA THR A 44 -1.651 10.705 1.573 1.00 0.00 H new ATOM 0 HB THR A 44 0.568 12.687 2.315 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.421 14.036 0.635 1.00 0.00 H new ATOM 0 HG21 THR A 44 1.270 12.496 -0.033 1.00 0.00 H new ATOM 0 HG22 THR A 44 1.290 10.920 0.793 1.00 0.00 H new ATOM 0 HG23 THR A 44 -0.033 11.321 -0.327 1.00 0.00 H new ATOM 154 N VAL A 45 -0.231 9.036 2.390 1.00 0.00 N ATOM 155 CA VAL A 45 0.688 7.924 2.722 1.00 0.00 C ATOM 156 C VAL A 45 2.002 8.139 1.947 1.00 0.00 C ATOM 157 O VAL A 45 2.003 8.575 0.792 1.00 0.00 O ATOM 158 CB VAL A 45 0.060 6.565 2.374 1.00 0.00 C ATOM 159 CG1 VAL A 45 0.900 5.339 2.730 1.00 0.00 C ATOM 160 CG2 VAL A 45 -1.293 6.411 3.069 1.00 0.00 C ATOM 0 H VAL A 45 -0.908 8.803 1.663 1.00 0.00 H new ATOM 0 HA VAL A 45 0.886 7.917 3.794 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.027 6.587 1.288 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.364 4.435 2.442 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.850 5.382 2.198 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.086 5.324 3.804 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.726 5.444 2.813 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -1.157 6.473 4.149 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -1.963 7.206 2.742 1.00 0.00 H new ATOM 161 N ASP A 46 3.083 7.667 2.542 1.00 0.00 N ATOM 162 CA ASP A 46 4.465 7.934 2.092 1.00 0.00 C ATOM 163 C ASP A 46 5.416 6.726 2.150 1.00 0.00 C ATOM 164 O ASP A 46 5.211 5.783 2.910 1.00 0.00 O ATOM 165 CB ASP A 46 4.888 9.159 2.913 1.00 0.00 C ATOM 166 CG ASP A 46 6.375 9.318 3.231 1.00 0.00 C ATOM 167 OD1 ASP A 46 7.125 9.656 2.288 1.00 0.00 O ATOM 168 OD2 ASP A 46 6.741 9.003 4.378 1.00 0.00 O ATOM 0 H ASP A 46 3.039 7.073 3.370 1.00 0.00 H new ATOM 0 HA ASP A 46 4.515 8.138 1.022 1.00 0.00 H new ATOM 0 HB2 ASP A 46 4.561 10.051 2.378 1.00 0.00 H new ATOM 0 HB3 ASP A 46 4.343 9.136 3.857 1.00 0.00 H new ATOM 169 N GLY A 47 6.383 6.763 1.237 1.00 0.00 N ATOM 170 CA GLY A 47 7.512 5.803 1.184 1.00 0.00 C ATOM 171 C GLY A 47 8.700 6.308 2.001 1.00 0.00 C ATOM 172 O GLY A 47 8.978 7.510 2.048 1.00 0.00 O ATOM 0 H GLY A 47 6.416 7.465 0.498 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.189 4.835 1.566 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.817 5.651 0.148 1.00 0.00 H new ATOM 173 N THR A 48 9.336 5.386 2.710 1.00 0.00 N ATOM 174 CA THR A 48 10.438 5.688 3.653 1.00 0.00 C ATOM 175 C THR A 48 11.419 4.523 3.764 1.00 0.00 C ATOM 176 O THR A 48 11.035 3.462 4.252 1.00 0.00 O ATOM 177 CB THR A 48 9.799 6.054 5.007 1.00 0.00 C ATOM 178 OG1 THR A 48 9.085 7.294 4.857 1.00 0.00 O ATOM 179 CG2 THR A 48 10.738 6.135 6.211 1.00 0.00 C ATOM 0 H THR A 48 9.110 4.393 2.656 1.00 0.00 H new ATOM 0 HA THR A 48 11.032 6.527 3.291 1.00 0.00 H new ATOM 0 HB THR A 48 9.142 5.218 5.248 1.00 0.00 H new ATOM 0 HG1 THR A 48 9.356 7.915 5.565 1.00 0.00 H new ATOM 0 HG21 THR A 48 10.167 6.400 7.101 1.00 0.00 H new ATOM 0 HG22 THR A 48 11.219 5.169 6.363 1.00 0.00 H new ATOM 0 HG23 THR A 48 11.499 6.894 6.029 1.00 0.00 H new ATOM 180 N ARG A 49 12.683 4.875 3.640 1.00 0.00 N ATOM 181 CA ARG A 49 13.829 3.925 3.711 1.00 0.00 C ATOM 182 C ARG A 49 14.204 3.509 5.140 1.00 0.00 C ATOM 183 O ARG A 49 15.334 3.142 5.460 1.00 0.00 O ATOM 184 CB ARG A 49 15.014 4.533 2.955 1.00 0.00 C ATOM 185 CG ARG A 49 14.734 4.504 1.456 1.00 0.00 C ATOM 186 CD ARG A 49 15.769 5.258 0.621 1.00 0.00 C ATOM 187 NE ARG A 49 15.415 5.093 -0.791 1.00 0.00 N ATOM 188 CZ ARG A 49 15.114 6.056 -1.672 1.00 0.00 C ATOM 189 NH1 ARG A 49 14.931 7.315 -1.289 1.00 0.00 N ATOM 190 NH2 ARG A 49 14.837 5.733 -2.926 1.00 0.00 N ATOM 0 H ARG A 49 12.972 5.841 3.484 1.00 0.00 H new ATOM 0 HA ARG A 49 13.525 2.993 3.235 1.00 0.00 H new ATOM 0 HB2 ARG A 49 15.181 5.559 3.284 1.00 0.00 H new ATOM 0 HB3 ARG A 49 15.924 3.975 3.176 1.00 0.00 H new ATOM 0 HG2 ARG A 49 14.697 3.467 1.123 1.00 0.00 H new ATOM 0 HG3 ARG A 49 13.749 4.933 1.271 1.00 0.00 H new ATOM 0 HD2 ARG A 49 15.781 6.314 0.891 1.00 0.00 H new ATOM 0 HD3 ARG A 49 16.769 4.869 0.812 1.00 0.00 H new ATOM 0 HE ARG A 49 15.396 4.136 -1.143 1.00 0.00 H new ATOM 0 HH11 ARG A 49 15.019 7.566 -0.304 1.00 0.00 H new ATOM 0 HH12 ARG A 49 14.703 8.030 -1.980 1.00 0.00 H new ATOM 0 HH21 ARG A 49 14.854 4.755 -3.216 1.00 0.00 H new ATOM 0 HH22 ARG A 49 14.607 6.462 -3.601 1.00 0.00 H new ATOM 191 N ASP A 50 13.198 3.601 6.009 1.00 0.00 N ATOM 192 CA ASP A 50 13.294 3.245 7.430 1.00 0.00 C ATOM 193 C ASP A 50 12.029 2.520 7.899 1.00 0.00 C ATOM 194 O ASP A 50 10.912 2.804 7.460 1.00 0.00 O ATOM 195 CB ASP A 50 13.471 4.510 8.283 1.00 0.00 C ATOM 196 CG ASP A 50 14.732 5.295 7.907 1.00 0.00 C ATOM 197 OD1 ASP A 50 15.803 4.918 8.432 1.00 0.00 O ATOM 198 OD2 ASP A 50 14.589 6.250 7.116 1.00 0.00 O ATOM 0 H ASP A 50 12.271 3.932 5.742 1.00 0.00 H new ATOM 0 HA ASP A 50 14.155 2.587 7.548 1.00 0.00 H new ATOM 0 HB2 ASP A 50 12.598 5.151 8.163 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.520 4.231 9.336 1.00 0.00 H new ATOM 199 N ARG A 51 12.267 1.576 8.811 1.00 0.00 N ATOM 200 CA ARG A 51 11.227 1.025 9.699 1.00 0.00 C ATOM 201 C ARG A 51 10.823 2.019 10.803 1.00 0.00 C ATOM 202 O ARG A 51 10.773 1.714 11.997 1.00 0.00 O ATOM 203 CB ARG A 51 11.800 -0.233 10.373 1.00 0.00 C ATOM 204 CG ARG A 51 12.052 -1.379 9.404 1.00 0.00 C ATOM 205 CD ARG A 51 12.619 -2.582 10.149 1.00 0.00 C ATOM 206 NE ARG A 51 11.657 -3.040 11.169 1.00 0.00 N ATOM 207 CZ ARG A 51 11.603 -4.273 11.658 1.00 0.00 C ATOM 208 NH1 ARG A 51 12.381 -5.243 11.184 1.00 0.00 N ATOM 209 NH2 ARG A 51 10.742 -4.579 12.622 1.00 0.00 N ATOM 0 H ARG A 51 13.189 1.166 8.960 1.00 0.00 H new ATOM 0 HA ARG A 51 10.343 0.807 9.100 1.00 0.00 H new ATOM 0 HB2 ARG A 51 12.735 0.025 10.870 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.109 -0.567 11.147 1.00 0.00 H new ATOM 0 HG2 ARG A 51 11.123 -1.655 8.906 1.00 0.00 H new ATOM 0 HG3 ARG A 51 12.748 -1.062 8.627 1.00 0.00 H new ATOM 0 HD2 ARG A 51 12.830 -3.389 9.447 1.00 0.00 H new ATOM 0 HD3 ARG A 51 13.564 -2.315 10.622 1.00 0.00 H new ATOM 0 HE ARG A 51 10.985 -2.360 11.524 1.00 0.00 H new ATOM 0 HH11 ARG A 51 13.037 -5.047 10.428 1.00 0.00 H new ATOM 0 HH12 ARG A 51 12.321 -6.183 11.576 1.00 0.00 H new ATOM 0 HH21 ARG A 51 10.116 -3.864 12.992 1.00 0.00 H new ATOM 0 HH22 ARG A 51 10.707 -5.529 12.992 1.00 0.00 H new ATOM 210 N SER A 52 10.552 3.254 10.394 1.00 0.00 N ATOM 211 CA SER A 52 10.182 4.329 11.329 1.00 0.00 C ATOM 212 C SER A 52 8.691 4.223 11.659 1.00 0.00 C ATOM 213 O SER A 52 7.809 4.899 11.107 1.00 0.00 O ATOM 214 CB SER A 52 10.577 5.717 10.813 1.00 0.00 C ATOM 215 OG SER A 52 10.215 5.880 9.436 1.00 0.00 O ATOM 0 H SER A 52 10.580 3.544 9.416 1.00 0.00 H new ATOM 0 HA SER A 52 10.749 4.200 12.251 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.088 6.484 11.414 1.00 0.00 H new ATOM 0 HB3 SER A 52 11.652 5.859 10.929 1.00 0.00 H new ATOM 0 HG SER A 52 10.298 6.824 9.186 1.00 0.00 H new ATOM 216 N ASP A 53 8.461 3.202 12.474 1.00 0.00 N ATOM 217 CA ASP A 53 7.137 2.738 12.968 1.00 0.00 C ATOM 218 C ASP A 53 6.358 3.748 13.854 1.00 0.00 C ATOM 219 O ASP A 53 5.624 3.409 14.778 1.00 0.00 O ATOM 220 CB ASP A 53 7.250 1.367 13.661 1.00 0.00 C ATOM 221 CG ASP A 53 7.417 0.196 12.689 1.00 0.00 C ATOM 222 OD1 ASP A 53 8.307 0.285 11.815 1.00 0.00 O ATOM 223 OD2 ASP A 53 6.705 -0.817 12.903 1.00 0.00 O ATOM 0 H ASP A 53 9.225 2.632 12.838 1.00 0.00 H new ATOM 0 HA ASP A 53 6.532 2.643 12.066 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.099 1.384 14.344 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.358 1.201 14.265 1.00 0.00 H new ATOM 224 N GLN A 54 6.709 4.995 13.622 1.00 0.00 N ATOM 225 CA GLN A 54 5.899 6.194 13.907 1.00 0.00 C ATOM 226 C GLN A 54 4.712 6.285 12.940 1.00 0.00 C ATOM 227 O GLN A 54 3.655 6.780 13.322 1.00 0.00 O ATOM 228 CB GLN A 54 6.787 7.427 13.747 1.00 0.00 C ATOM 229 CG GLN A 54 7.807 7.622 14.881 1.00 0.00 C ATOM 230 CD GLN A 54 8.897 6.545 14.932 1.00 0.00 C ATOM 231 OE1 GLN A 54 9.550 6.204 13.960 1.00 0.00 O ATOM 232 NE2 GLN A 54 9.079 5.950 16.093 1.00 0.00 N ATOM 0 H GLN A 54 7.612 5.228 13.208 1.00 0.00 H new ATOM 0 HA GLN A 54 5.509 6.136 14.923 1.00 0.00 H new ATOM 0 HB2 GLN A 54 7.323 7.354 12.800 1.00 0.00 H new ATOM 0 HB3 GLN A 54 6.153 8.312 13.688 1.00 0.00 H new ATOM 0 HG2 GLN A 54 8.280 8.598 14.767 1.00 0.00 H new ATOM 0 HG3 GLN A 54 7.278 7.634 15.834 1.00 0.00 H new ATOM 0 HE21 GLN A 54 8.532 6.237 16.904 1.00 0.00 H new ATOM 0 HE22 GLN A 54 9.767 5.202 16.181 1.00 0.00 H new ATOM 233 N HIS A 55 4.938 5.901 11.673 1.00 0.00 N ATOM 234 CA HIS A 55 3.881 5.868 10.639 1.00 0.00 C ATOM 235 C HIS A 55 3.693 4.507 9.944 1.00 0.00 C ATOM 236 O HIS A 55 2.605 4.209 9.440 1.00 0.00 O ATOM 237 CB HIS A 55 4.143 6.956 9.589 1.00 0.00 C ATOM 238 CG HIS A 55 4.311 8.375 10.140 1.00 0.00 C ATOM 239 ND1 HIS A 55 5.255 9.233 9.764 1.00 0.00 N ATOM 240 CD2 HIS A 55 3.494 9.007 10.966 1.00 0.00 C ATOM 241 CE1 HIS A 55 5.010 10.409 10.341 1.00 0.00 C ATOM 242 NE2 HIS A 55 3.917 10.260 11.077 1.00 0.00 N ATOM 0 H HIS A 55 5.853 5.605 11.334 1.00 0.00 H new ATOM 0 HA HIS A 55 2.949 6.054 11.172 1.00 0.00 H new ATOM 0 HB2 HIS A 55 5.043 6.692 9.033 1.00 0.00 H new ATOM 0 HB3 HIS A 55 3.317 6.956 8.877 1.00 0.00 H new ATOM 0 HD2 HIS A 55 2.635 8.579 11.462 1.00 0.00 H new ATOM 0 HE1 HIS A 55 5.591 11.312 10.230 1.00 0.00 H new ATOM 0 HE2 HIS A 55 3.474 10.989 11.637 1.00 0.00 H new ATOM 243 N ILE A 56 4.716 3.656 9.900 1.00 0.00 N ATOM 244 CA ILE A 56 4.626 2.310 9.303 1.00 0.00 C ATOM 245 C ILE A 56 4.106 1.275 10.313 1.00 0.00 C ATOM 246 O ILE A 56 4.840 0.809 11.200 1.00 0.00 O ATOM 247 CB ILE A 56 5.930 1.916 8.548 1.00 0.00 C ATOM 248 CG1 ILE A 56 6.021 0.423 8.247 1.00 0.00 C ATOM 249 CG2 ILE A 56 7.234 2.350 9.196 1.00 0.00 C ATOM 250 CD1 ILE A 56 4.991 -0.021 7.221 1.00 0.00 C ATOM 0 H ILE A 56 5.638 3.874 10.277 1.00 0.00 H new ATOM 0 HA ILE A 56 3.867 2.329 8.521 1.00 0.00 H new ATOM 0 HB ILE A 56 5.826 2.485 7.624 1.00 0.00 H new ATOM 0 HG12 ILE A 56 7.020 0.188 7.881 1.00 0.00 H new ATOM 0 HG13 ILE A 56 5.879 -0.141 9.169 1.00 0.00 H new ATOM 0 HG21 ILE A 56 8.072 2.021 8.582 1.00 0.00 H new ATOM 0 HG22 ILE A 56 7.253 3.436 9.284 1.00 0.00 H new ATOM 0 HG23 ILE A 56 7.313 1.905 10.188 1.00 0.00 H new ATOM 0 HD11 ILE A 56 5.095 -1.091 7.040 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.989 0.187 7.597 1.00 0.00 H new ATOM 0 HD13 ILE A 56 5.149 0.522 6.289 1.00 0.00 H new ATOM 251 N GLN A 57 2.786 1.268 10.330 1.00 0.00 N ATOM 252 CA GLN A 57 1.959 0.261 11.035 1.00 0.00 C ATOM 253 C GLN A 57 0.597 0.020 10.376 1.00 0.00 C ATOM 254 O GLN A 57 -0.198 0.948 10.200 1.00 0.00 O ATOM 255 CB GLN A 57 1.753 0.676 12.481 1.00 0.00 C ATOM 256 CG GLN A 57 2.381 -0.300 13.481 1.00 0.00 C ATOM 257 CD GLN A 57 1.635 -1.628 13.480 1.00 0.00 C ATOM 258 OE1 GLN A 57 0.512 -1.680 14.156 1.00 0.00 O flip ATOM 259 NE2 GLN A 57 2.019 -2.601 12.853 1.00 0.00 N flip ATOM 0 H GLN A 57 2.229 1.973 9.847 1.00 0.00 H new ATOM 0 HA GLN A 57 2.510 -0.678 10.980 1.00 0.00 H new ATOM 0 HB2 GLN A 57 2.180 1.667 12.633 1.00 0.00 H new ATOM 0 HB3 GLN A 57 0.685 0.755 12.681 1.00 0.00 H new ATOM 0 HG2 GLN A 57 3.428 -0.465 13.226 1.00 0.00 H new ATOM 0 HG3 GLN A 57 2.361 0.133 14.481 1.00 0.00 H new ATOM 0 HE21 GLN A 57 2.893 -2.557 12.328 1.00 0.00 H new ATOM 0 HE22 GLN A 57 1.467 -3.458 12.853 1.00 0.00 H new ATOM 260 N LEU A 58 0.318 -1.265 10.127 1.00 0.00 N ATOM 261 CA LEU A 58 -0.884 -1.718 9.395 1.00 0.00 C ATOM 262 C LEU A 58 -1.487 -3.043 9.881 1.00 0.00 C ATOM 263 O LEU A 58 -0.962 -3.666 10.798 1.00 0.00 O ATOM 264 CB LEU A 58 -0.620 -1.771 7.888 1.00 0.00 C ATOM 265 CG LEU A 58 0.665 -2.501 7.498 1.00 0.00 C ATOM 266 CD1 LEU A 58 0.435 -3.468 6.346 1.00 0.00 C ATOM 267 CD2 LEU A 58 1.735 -1.466 7.133 1.00 0.00 C ATOM 0 H LEU A 58 0.921 -2.030 10.428 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.640 -0.964 9.615 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.464 -2.260 7.401 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.576 -0.752 7.503 1.00 0.00 H new ATOM 0 HG LEU A 58 1.002 -3.095 8.348 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.371 -3.968 6.098 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.307 -4.212 6.638 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.075 -2.919 5.476 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.656 -1.978 6.853 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.386 -0.862 6.295 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.925 -0.821 7.991 1.00 0.00 H new ATOM 268 N GLN A 59 -2.708 -3.294 9.410 1.00 0.00 N ATOM 269 CA GLN A 59 -3.441 -4.552 9.627 1.00 0.00 C ATOM 270 C GLN A 59 -4.130 -4.975 8.314 1.00 0.00 C ATOM 271 O GLN A 59 -4.901 -4.202 7.744 1.00 0.00 O ATOM 272 CB GLN A 59 -4.472 -4.263 10.725 1.00 0.00 C ATOM 273 CG GLN A 59 -4.976 -5.495 11.488 1.00 0.00 C ATOM 274 CD GLN A 59 -5.960 -6.335 10.672 1.00 0.00 C ATOM 275 OE1 GLN A 59 -7.224 -5.997 10.750 1.00 0.00 O flip ATOM 276 NE2 GLN A 59 -5.601 -7.285 9.991 1.00 0.00 N flip ATOM 0 H GLN A 59 -3.231 -2.617 8.854 1.00 0.00 H new ATOM 0 HA GLN A 59 -2.782 -5.367 9.927 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -4.033 -3.567 11.440 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -5.327 -3.759 10.275 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -4.125 -6.114 11.772 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -5.458 -5.173 12.411 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -4.613 -7.533 9.942 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -6.290 -7.829 9.471 1.00 0.00 H new ATOM 277 N LEU A 60 -3.876 -6.209 7.909 1.00 0.00 N ATOM 278 CA LEU A 60 -4.405 -6.788 6.658 1.00 0.00 C ATOM 279 C LEU A 60 -5.675 -7.619 6.870 1.00 0.00 C ATOM 280 O LEU A 60 -5.683 -8.853 6.881 1.00 0.00 O ATOM 281 CB LEU A 60 -3.313 -7.604 5.948 1.00 0.00 C ATOM 282 CG LEU A 60 -2.152 -6.712 5.490 1.00 0.00 C ATOM 283 CD1 LEU A 60 -0.902 -7.026 6.309 1.00 0.00 C ATOM 284 CD2 LEU A 60 -1.886 -6.936 4.009 1.00 0.00 C ATOM 0 H LEU A 60 -3.290 -6.855 8.438 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.698 -5.956 6.018 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.937 -8.374 6.621 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.742 -8.115 5.086 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.417 -5.666 5.645 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.081 -6.389 5.979 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.103 -6.841 7.364 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.629 -8.072 6.169 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.061 -6.301 3.687 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.627 -7.981 3.840 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.780 -6.687 3.437 1.00 0.00 H new ATOM 285 N SER A 61 -6.770 -6.903 6.722 1.00 0.00 N ATOM 286 CA SER A 61 -8.111 -7.376 7.092 1.00 0.00 C ATOM 287 C SER A 61 -8.919 -7.783 5.859 1.00 0.00 C ATOM 288 O SER A 61 -9.715 -7.025 5.312 1.00 0.00 O ATOM 289 CB SER A 61 -8.763 -6.238 7.876 1.00 0.00 C ATOM 290 OG SER A 61 -9.991 -6.665 8.458 1.00 0.00 O ATOM 0 H SER A 61 -6.766 -5.959 6.336 1.00 0.00 H new ATOM 0 HA SER A 61 -8.063 -8.276 7.705 1.00 0.00 H new ATOM 0 HB2 SER A 61 -8.085 -5.893 8.657 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.944 -5.391 7.214 1.00 0.00 H new ATOM 0 HG SER A 61 -10.392 -5.923 8.957 1.00 0.00 H new ATOM 291 N ALA A 62 -8.446 -8.881 5.263 1.00 0.00 N ATOM 292 CA ALA A 62 -9.096 -9.583 4.145 1.00 0.00 C ATOM 293 C ALA A 62 -10.625 -9.653 4.195 1.00 0.00 C ATOM 294 O ALA A 62 -11.245 -10.028 5.185 1.00 0.00 O ATOM 295 CB ALA A 62 -8.482 -10.984 4.027 1.00 0.00 C ATOM 0 H ALA A 62 -7.573 -9.322 5.552 1.00 0.00 H new ATOM 0 HA ALA A 62 -8.901 -8.984 3.255 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -8.953 -11.519 3.202 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.412 -10.898 3.840 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -8.645 -11.532 4.955 1.00 0.00 H new ATOM 296 N GLU A 63 -11.165 -9.391 3.008 1.00 0.00 N ATOM 297 CA GLU A 63 -12.608 -9.513 2.703 1.00 0.00 C ATOM 298 C GLU A 63 -12.829 -10.752 1.806 1.00 0.00 C ATOM 299 O GLU A 63 -13.589 -10.739 0.829 1.00 0.00 O ATOM 300 CB GLU A 63 -13.014 -8.188 2.062 1.00 0.00 C ATOM 301 CG GLU A 63 -14.526 -7.998 1.823 1.00 0.00 C ATOM 302 CD GLU A 63 -15.342 -7.855 3.101 1.00 0.00 C ATOM 303 OE1 GLU A 63 -15.660 -8.903 3.701 1.00 0.00 O ATOM 304 OE2 GLU A 63 -15.687 -6.695 3.426 1.00 0.00 O ATOM 0 H GLU A 63 -10.611 -9.082 2.209 1.00 0.00 H new ATOM 0 HA GLU A 63 -13.234 -9.677 3.580 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -12.660 -7.375 2.696 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -12.499 -8.095 1.106 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -14.677 -7.112 1.206 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -14.904 -8.849 1.256 1.00 0.00 H new ATOM 305 N SER A 64 -11.982 -11.737 2.110 1.00 0.00 N ATOM 306 CA SER A 64 -11.868 -13.122 1.580 1.00 0.00 C ATOM 307 C SER A 64 -10.738 -13.276 0.549 1.00 0.00 C ATOM 308 O SER A 64 -9.569 -13.220 0.918 1.00 0.00 O ATOM 309 CB SER A 64 -13.196 -13.785 1.192 1.00 0.00 C ATOM 310 OG SER A 64 -13.788 -13.222 0.017 1.00 0.00 O ATOM 0 H SER A 64 -11.267 -11.576 2.819 1.00 0.00 H new ATOM 0 HA SER A 64 -11.556 -13.723 2.434 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.029 -14.850 1.032 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.896 -13.694 2.023 1.00 0.00 H new ATOM 0 HG SER A 64 -14.069 -12.301 0.201 1.00 0.00 H new ATOM 311 N VAL A 65 -11.109 -13.259 -0.727 1.00 0.00 N ATOM 312 CA VAL A 65 -10.240 -13.454 -1.910 1.00 0.00 C ATOM 313 C VAL A 65 -9.349 -12.260 -2.273 1.00 0.00 C ATOM 314 O VAL A 65 -9.663 -11.408 -3.106 1.00 0.00 O ATOM 315 CB VAL A 65 -11.037 -13.979 -3.118 1.00 0.00 C ATOM 316 CG1 VAL A 65 -11.135 -15.505 -3.073 1.00 0.00 C ATOM 317 CG2 VAL A 65 -12.411 -13.325 -3.344 1.00 0.00 C ATOM 0 H VAL A 65 -12.081 -13.100 -0.992 1.00 0.00 H new ATOM 0 HA VAL A 65 -9.531 -14.225 -1.609 1.00 0.00 H new ATOM 0 HB VAL A 65 -10.461 -13.676 -3.992 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -11.702 -15.859 -3.934 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.134 -15.935 -3.096 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -11.640 -15.810 -2.156 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -12.886 -13.769 -4.219 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -13.040 -13.488 -2.469 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -12.282 -12.255 -3.504 1.00 0.00 H new ATOM 318 N GLY A 66 -8.396 -12.085 -1.373 1.00 0.00 N ATOM 319 CA GLY A 66 -7.188 -11.267 -1.589 1.00 0.00 C ATOM 320 C GLY A 66 -7.303 -9.776 -1.255 1.00 0.00 C ATOM 321 O GLY A 66 -6.338 -9.149 -0.837 1.00 0.00 O ATOM 0 H GLY A 66 -8.430 -12.512 -0.447 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -6.379 -11.689 -0.992 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -6.895 -11.361 -2.635 1.00 0.00 H new ATOM 322 N GLU A 67 -8.425 -9.186 -1.649 1.00 0.00 N ATOM 323 CA GLU A 67 -8.773 -7.779 -1.327 1.00 0.00 C ATOM 324 C GLU A 67 -8.837 -7.554 0.189 1.00 0.00 C ATOM 325 O GLU A 67 -9.706 -8.055 0.907 1.00 0.00 O ATOM 326 CB GLU A 67 -10.029 -7.329 -2.083 1.00 0.00 C ATOM 327 CG GLU A 67 -11.379 -7.890 -1.612 1.00 0.00 C ATOM 328 CD GLU A 67 -11.508 -9.415 -1.685 1.00 0.00 C ATOM 329 OE1 GLU A 67 -11.132 -10.078 -0.697 1.00 0.00 O ATOM 330 OE2 GLU A 67 -11.964 -9.886 -2.756 1.00 0.00 O ATOM 0 H GLU A 67 -9.135 -9.662 -2.206 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.972 -7.130 -1.683 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.081 -6.241 -2.032 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.903 -7.594 -3.133 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.547 -7.575 -0.582 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -12.171 -7.444 -2.214 1.00 0.00 H new ATOM 331 N VAL A 68 -7.722 -7.012 0.655 1.00 0.00 N ATOM 332 CA VAL A 68 -7.497 -6.745 2.088 1.00 0.00 C ATOM 333 C VAL A 68 -7.821 -5.291 2.422 1.00 0.00 C ATOM 334 O VAL A 68 -7.467 -4.382 1.667 1.00 0.00 O ATOM 335 CB VAL A 68 -6.079 -7.117 2.568 1.00 0.00 C ATOM 336 CG1 VAL A 68 -5.847 -8.624 2.488 1.00 0.00 C ATOM 337 CG2 VAL A 68 -4.944 -6.379 1.851 1.00 0.00 C ATOM 0 H VAL A 68 -6.940 -6.741 0.059 1.00 0.00 H new ATOM 0 HA VAL A 68 -8.180 -7.398 2.632 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.046 -6.787 3.606 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.839 -8.856 2.833 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.573 -9.138 3.118 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.963 -8.956 1.456 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.986 -6.705 2.255 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.983 -6.601 0.784 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.055 -5.305 2.003 1.00 0.00 H new ATOM 338 N TYR A 69 -8.580 -5.123 3.496 1.00 0.00 N ATOM 339 CA TYR A 69 -8.775 -3.811 4.119 1.00 0.00 C ATOM 340 C TYR A 69 -7.562 -3.528 4.997 1.00 0.00 C ATOM 341 O TYR A 69 -7.282 -4.278 5.938 1.00 0.00 O ATOM 342 CB TYR A 69 -9.997 -3.727 5.037 1.00 0.00 C ATOM 343 CG TYR A 69 -11.336 -3.719 4.297 1.00 0.00 C ATOM 344 CD1 TYR A 69 -11.711 -2.573 3.568 1.00 0.00 C ATOM 345 CD2 TYR A 69 -12.237 -4.766 4.569 1.00 0.00 C ATOM 346 CE1 TYR A 69 -13.028 -2.465 3.098 1.00 0.00 C ATOM 347 CE2 TYR A 69 -13.563 -4.652 4.103 1.00 0.00 C ATOM 348 CZ TYR A 69 -13.942 -3.506 3.365 1.00 0.00 C ATOM 349 OH TYR A 69 -15.160 -3.484 2.767 1.00 0.00 O ATOM 0 H TYR A 69 -9.077 -5.883 3.961 1.00 0.00 H new ATOM 0 HA TYR A 69 -8.917 -3.101 3.304 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -9.980 -4.572 5.725 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -9.923 -2.823 5.641 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -10.994 -1.789 3.374 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -11.920 -5.637 5.122 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -13.339 -1.595 2.538 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -14.282 -5.432 4.307 1.00 0.00 H new ATOM 0 HH TYR A 69 -15.677 -4.268 3.048 1.00 0.00 H new ATOM 350 N ILE A 70 -6.739 -2.612 4.536 1.00 0.00 N ATOM 351 CA ILE A 70 -5.567 -2.241 5.346 1.00 0.00 C ATOM 352 C ILE A 70 -5.923 -1.118 6.320 1.00 0.00 C ATOM 353 O ILE A 70 -5.714 0.064 6.077 1.00 0.00 O ATOM 354 CB ILE A 70 -4.324 -1.972 4.486 1.00 0.00 C ATOM 355 CG1 ILE A 70 -4.024 -3.197 3.591 1.00 0.00 C ATOM 356 CG2 ILE A 70 -3.099 -1.681 5.379 1.00 0.00 C ATOM 357 CD1 ILE A 70 -2.886 -3.037 2.566 1.00 0.00 C ATOM 0 H ILE A 70 -6.838 -2.121 3.647 1.00 0.00 H new ATOM 0 HA ILE A 70 -5.282 -3.095 5.960 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.523 -1.102 3.860 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -3.785 -4.041 4.237 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -4.935 -3.457 3.052 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.228 -1.493 4.752 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.298 -0.805 5.996 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.905 -2.540 6.021 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -2.773 -3.962 2.000 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.123 -2.221 1.883 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.955 -2.815 3.088 1.00 0.00 H new ATOM 358 N LYS A 71 -6.308 -1.592 7.493 1.00 0.00 N ATOM 359 CA LYS A 71 -6.502 -0.763 8.691 1.00 0.00 C ATOM 360 C LYS A 71 -5.100 -0.287 9.059 1.00 0.00 C ATOM 361 O LYS A 71 -4.236 -1.061 9.451 1.00 0.00 O ATOM 362 CB LYS A 71 -6.994 -1.727 9.767 1.00 0.00 C ATOM 363 CG LYS A 71 -7.273 -1.091 11.133 1.00 0.00 C ATOM 364 CD LYS A 71 -8.645 -0.438 11.196 1.00 0.00 C ATOM 365 CE LYS A 71 -9.112 -0.148 12.632 1.00 0.00 C ATOM 366 NZ LYS A 71 -8.392 0.999 13.185 1.00 0.00 N ATOM 0 H LYS A 71 -6.500 -2.581 7.652 1.00 0.00 H new ATOM 0 HA LYS A 71 -7.191 0.073 8.567 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.907 -2.206 9.413 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.251 -2.514 9.895 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -7.200 -1.854 11.908 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.508 -0.345 11.347 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -8.623 0.495 10.633 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -9.372 -1.087 10.708 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -10.184 0.051 12.639 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -8.946 -1.025 13.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -8.720 1.180 14.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -7.372 0.796 13.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -8.571 1.838 12.597 1.00 0.00 H new ATOM 367 N SER A 72 -4.899 1.005 8.912 1.00 0.00 N ATOM 368 CA SER A 72 -3.570 1.607 9.098 1.00 0.00 C ATOM 369 C SER A 72 -3.383 1.998 10.575 1.00 0.00 C ATOM 370 O SER A 72 -3.513 3.137 11.017 1.00 0.00 O ATOM 371 CB SER A 72 -3.357 2.735 8.106 1.00 0.00 C ATOM 372 OG SER A 72 -4.374 3.740 8.218 1.00 0.00 O ATOM 0 H SER A 72 -5.631 1.670 8.664 1.00 0.00 H new ATOM 0 HA SER A 72 -2.783 0.886 8.878 1.00 0.00 H new ATOM 0 HB2 SER A 72 -2.379 3.187 8.273 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.353 2.333 7.093 1.00 0.00 H new ATOM 0 HG SER A 72 -4.404 4.269 7.393 1.00 0.00 H new ATOM 373 N THR A 73 -3.380 0.902 11.330 1.00 0.00 N ATOM 374 CA THR A 73 -3.273 0.883 12.812 1.00 0.00 C ATOM 375 C THR A 73 -1.955 1.396 13.433 1.00 0.00 C ATOM 376 O THR A 73 -1.306 0.726 14.244 1.00 0.00 O ATOM 377 CB THR A 73 -3.734 -0.472 13.361 1.00 0.00 C ATOM 378 OG1 THR A 73 -3.764 -0.404 14.790 1.00 0.00 O ATOM 379 CG2 THR A 73 -2.884 -1.659 12.879 1.00 0.00 C ATOM 0 H THR A 73 -3.454 -0.033 10.929 1.00 0.00 H new ATOM 0 HA THR A 73 -3.962 1.656 13.152 1.00 0.00 H new ATOM 0 HB THR A 73 -4.733 -0.663 12.969 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.904 -0.069 15.120 1.00 0.00 H new ATOM 0 HG21 THR A 73 -3.271 -2.582 13.309 1.00 0.00 H new ATOM 0 HG22 THR A 73 -2.927 -1.719 11.792 1.00 0.00 H new ATOM 0 HG23 THR A 73 -1.850 -1.518 13.194 1.00 0.00 H new ATOM 380 N GLU A 74 -1.524 2.543 12.925 1.00 0.00 N ATOM 381 CA GLU A 74 -0.668 3.492 13.651 1.00 0.00 C ATOM 382 C GLU A 74 -1.562 4.617 14.208 1.00 0.00 C ATOM 383 O GLU A 74 -1.707 4.786 15.406 1.00 0.00 O ATOM 384 CB GLU A 74 0.366 4.093 12.712 1.00 0.00 C ATOM 385 CG GLU A 74 1.498 4.692 13.549 1.00 0.00 C ATOM 386 CD GLU A 74 2.583 3.683 13.915 1.00 0.00 C ATOM 387 OE1 GLU A 74 3.422 3.421 13.022 1.00 0.00 O ATOM 388 OE2 GLU A 74 2.510 3.141 15.046 1.00 0.00 O ATOM 0 H GLU A 74 -1.759 2.852 11.982 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.149 2.976 14.458 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.756 3.328 12.040 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.091 4.862 12.089 1.00 0.00 H new ATOM 0 HG2 GLU A 74 1.950 5.516 12.997 1.00 0.00 H new ATOM 0 HG3 GLU A 74 1.080 5.112 14.464 1.00 0.00 H new ATOM 389 N THR A 75 -2.302 5.177 13.260 1.00 0.00 N ATOM 390 CA THR A 75 -3.214 6.326 13.437 1.00 0.00 C ATOM 391 C THR A 75 -4.635 5.882 13.790 1.00 0.00 C ATOM 392 O THR A 75 -5.433 6.661 14.301 1.00 0.00 O ATOM 393 CB THR A 75 -3.269 7.119 12.132 1.00 0.00 C ATOM 394 OG1 THR A 75 -3.544 6.237 11.037 1.00 0.00 O ATOM 395 CG2 THR A 75 -1.982 7.912 11.898 1.00 0.00 C ATOM 0 H THR A 75 -2.290 4.835 12.299 1.00 0.00 H new ATOM 0 HA THR A 75 -2.830 6.932 14.258 1.00 0.00 H new ATOM 0 HB THR A 75 -4.078 7.846 12.207 1.00 0.00 H new ATOM 0 HG1 THR A 75 -3.951 6.743 10.303 1.00 0.00 H new ATOM 0 HG21 THR A 75 -2.059 8.463 10.961 1.00 0.00 H new ATOM 0 HG22 THR A 75 -1.832 8.613 12.719 1.00 0.00 H new ATOM 0 HG23 THR A 75 -1.136 7.226 11.847 1.00 0.00 H new ATOM 396 N GLY A 76 -4.952 4.656 13.362 1.00 0.00 N ATOM 397 CA GLY A 76 -6.258 4.021 13.576 1.00 0.00 C ATOM 398 C GLY A 76 -7.242 4.344 12.439 1.00 0.00 C ATOM 399 O GLY A 76 -8.455 4.338 12.616 1.00 0.00 O ATOM 0 H GLY A 76 -4.297 4.066 12.848 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -6.130 2.941 13.650 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -6.675 4.358 14.525 1.00 0.00 H new ATOM 400 N GLN A 77 -6.659 4.410 11.247 1.00 0.00 N ATOM 401 CA GLN A 77 -7.364 4.726 9.998 1.00 0.00 C ATOM 402 C GLN A 77 -7.345 3.471 9.105 1.00 0.00 C ATOM 403 O GLN A 77 -7.177 2.344 9.579 1.00 0.00 O ATOM 404 CB GLN A 77 -6.638 5.886 9.303 1.00 0.00 C ATOM 405 CG GLN A 77 -6.782 7.222 10.047 1.00 0.00 C ATOM 406 CD GLN A 77 -5.822 8.287 9.502 1.00 0.00 C ATOM 407 OE1 GLN A 77 -4.665 8.036 9.200 1.00 0.00 O ATOM 408 NE2 GLN A 77 -6.273 9.524 9.514 1.00 0.00 N ATOM 0 H GLN A 77 -5.662 4.243 11.113 1.00 0.00 H new ATOM 0 HA GLN A 77 -8.396 5.019 10.193 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -5.580 5.641 9.211 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -7.029 5.997 8.291 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -7.808 7.578 9.958 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -6.589 7.069 11.109 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -7.243 9.711 9.769 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -5.653 10.295 9.268 1.00 0.00 H new ATOM 409 N TYR A 78 -7.773 3.669 7.863 1.00 0.00 N ATOM 410 CA TYR A 78 -7.681 2.728 6.744 1.00 0.00 C ATOM 411 C TYR A 78 -6.843 3.348 5.623 1.00 0.00 C ATOM 412 O TYR A 78 -6.868 4.559 5.394 1.00 0.00 O ATOM 413 CB TYR A 78 -9.095 2.453 6.210 1.00 0.00 C ATOM 414 CG TYR A 78 -9.948 1.657 7.200 1.00 0.00 C ATOM 415 CD1 TYR A 78 -10.690 2.343 8.180 1.00 0.00 C ATOM 416 CD2 TYR A 78 -9.899 0.248 7.144 1.00 0.00 C ATOM 417 CE1 TYR A 78 -11.392 1.597 9.143 1.00 0.00 C ATOM 418 CE2 TYR A 78 -10.601 -0.498 8.107 1.00 0.00 C ATOM 419 CZ TYR A 78 -11.339 0.187 9.097 1.00 0.00 C ATOM 420 OH TYR A 78 -11.957 -0.535 10.064 1.00 0.00 O ATOM 0 H TYR A 78 -8.222 4.544 7.590 1.00 0.00 H new ATOM 0 HA TYR A 78 -7.216 1.802 7.081 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -9.588 3.400 5.990 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -9.025 1.904 5.271 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -10.719 3.423 8.192 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -9.331 -0.250 6.373 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -11.965 2.097 9.909 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -10.576 -1.578 8.090 1.00 0.00 H new ATOM 0 HH TYR A 78 -11.829 -1.491 9.890 1.00 0.00 H new ATOM 421 N LEU A 79 -6.012 2.507 5.028 1.00 0.00 N ATOM 422 CA LEU A 79 -5.307 2.818 3.773 1.00 0.00 C ATOM 423 C LEU A 79 -6.306 2.774 2.633 1.00 0.00 C ATOM 424 O LEU A 79 -7.062 1.810 2.514 1.00 0.00 O ATOM 425 CB LEU A 79 -4.264 1.699 3.634 1.00 0.00 C ATOM 426 CG LEU A 79 -3.145 2.058 2.668 1.00 0.00 C ATOM 427 CD1 LEU A 79 -2.167 3.019 3.335 1.00 0.00 C ATOM 428 CD2 LEU A 79 -2.386 0.781 2.284 1.00 0.00 C ATOM 0 H LEU A 79 -5.799 1.580 5.397 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.841 3.803 3.763 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.838 1.481 4.613 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.757 0.789 3.291 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.576 2.529 1.784 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.370 3.270 2.636 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.693 3.928 3.628 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.739 2.547 4.219 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.582 1.030 1.591 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.965 0.325 3.180 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.071 0.080 1.807 1.00 0.00 H new ATOM 429 N ALA A 80 -6.379 3.867 1.901 1.00 0.00 N ATOM 430 CA ALA A 80 -7.462 4.034 0.908 1.00 0.00 C ATOM 431 C ALA A 80 -7.070 4.885 -0.291 1.00 0.00 C ATOM 432 O ALA A 80 -6.458 5.942 -0.166 1.00 0.00 O ATOM 433 CB ALA A 80 -8.677 4.613 1.614 1.00 0.00 C ATOM 0 H ALA A 80 -5.724 4.647 1.959 1.00 0.00 H new ATOM 0 HA ALA A 80 -7.688 3.051 0.495 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -9.487 4.743 0.896 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -8.997 3.933 2.403 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.419 5.578 2.049 1.00 0.00 H new ATOM 434 N MET A 81 -7.384 4.324 -1.456 1.00 0.00 N ATOM 435 CA MET A 81 -6.979 4.925 -2.734 1.00 0.00 C ATOM 436 C MET A 81 -7.975 5.920 -3.345 1.00 0.00 C ATOM 437 O MET A 81 -9.163 5.661 -3.532 1.00 0.00 O ATOM 438 CB MET A 81 -6.683 3.784 -3.724 1.00 0.00 C ATOM 439 CG MET A 81 -5.849 4.287 -4.903 1.00 0.00 C ATOM 440 SD MET A 81 -5.663 3.093 -6.274 1.00 0.00 S ATOM 441 CE MET A 81 -7.314 3.165 -6.939 1.00 0.00 C ATOM 0 H MET A 81 -7.915 3.458 -1.547 1.00 0.00 H new ATOM 0 HA MET A 81 -6.096 5.530 -2.527 1.00 0.00 H new ATOM 0 HB2 MET A 81 -6.150 2.982 -3.212 1.00 0.00 H new ATOM 0 HB3 MET A 81 -7.619 3.362 -4.089 1.00 0.00 H new ATOM 0 HG2 MET A 81 -6.306 5.197 -5.292 1.00 0.00 H new ATOM 0 HG3 MET A 81 -4.858 4.559 -4.539 1.00 0.00 H new ATOM 0 HE1 MET A 81 -7.330 2.698 -7.924 1.00 0.00 H new ATOM 0 HE2 MET A 81 -7.997 2.635 -6.275 1.00 0.00 H new ATOM 0 HE3 MET A 81 -7.626 4.206 -7.026 1.00 0.00 H new ATOM 442 N ASP A 82 -7.414 7.094 -3.581 1.00 0.00 N ATOM 443 CA ASP A 82 -7.982 8.139 -4.452 1.00 0.00 C ATOM 444 C ASP A 82 -7.702 7.748 -5.912 1.00 0.00 C ATOM 445 O ASP A 82 -6.686 7.141 -6.223 1.00 0.00 O ATOM 446 CB ASP A 82 -7.292 9.448 -4.069 1.00 0.00 C ATOM 447 CG ASP A 82 -7.800 10.673 -4.831 1.00 0.00 C ATOM 448 OD1 ASP A 82 -8.987 11.006 -4.645 1.00 0.00 O ATOM 449 OD2 ASP A 82 -7.025 11.104 -5.716 1.00 0.00 O ATOM 0 H ASP A 82 -6.523 7.366 -3.165 1.00 0.00 H new ATOM 0 HA ASP A 82 -9.060 8.252 -4.337 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -7.427 9.617 -3.001 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -6.221 9.345 -4.243 1.00 0.00 H new ATOM 450 N THR A 83 -8.539 8.290 -6.768 1.00 0.00 N ATOM 451 CA THR A 83 -8.540 8.157 -8.250 1.00 0.00 C ATOM 452 C THR A 83 -7.391 8.831 -9.010 1.00 0.00 C ATOM 453 O THR A 83 -7.418 8.963 -10.226 1.00 0.00 O ATOM 454 CB THR A 83 -9.861 8.714 -8.760 1.00 0.00 C ATOM 455 OG1 THR A 83 -10.021 10.026 -8.198 1.00 0.00 O ATOM 456 CG2 THR A 83 -11.046 7.814 -8.391 1.00 0.00 C ATOM 0 H THR A 83 -9.303 8.884 -6.446 1.00 0.00 H new ATOM 0 HA THR A 83 -8.400 7.094 -8.446 1.00 0.00 H new ATOM 0 HB THR A 83 -9.843 8.759 -9.849 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.865 10.415 -8.510 1.00 0.00 H new ATOM 0 HG21 THR A 83 -11.968 8.251 -8.775 1.00 0.00 H new ATOM 0 HG22 THR A 83 -10.903 6.826 -8.828 1.00 0.00 H new ATOM 0 HG23 THR A 83 -11.111 7.725 -7.307 1.00 0.00 H new ATOM 457 N ASP A 84 -6.417 9.281 -8.234 1.00 0.00 N ATOM 458 CA ASP A 84 -5.073 9.604 -8.731 1.00 0.00 C ATOM 459 C ASP A 84 -4.000 8.606 -8.248 1.00 0.00 C ATOM 460 O ASP A 84 -2.792 8.843 -8.304 1.00 0.00 O ATOM 461 CB ASP A 84 -4.666 11.011 -8.263 1.00 0.00 C ATOM 462 CG ASP A 84 -5.416 12.099 -9.034 1.00 0.00 C ATOM 463 OD1 ASP A 84 -4.896 12.487 -10.108 1.00 0.00 O ATOM 464 OD2 ASP A 84 -6.475 12.519 -8.530 1.00 0.00 O ATOM 0 H ASP A 84 -6.530 9.436 -7.232 1.00 0.00 H new ATOM 0 HA ASP A 84 -5.124 9.549 -9.818 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -4.869 11.114 -7.197 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -3.592 11.143 -8.397 1.00 0.00 H new ATOM 465 N GLY A 85 -4.492 7.423 -7.889 1.00 0.00 N ATOM 466 CA GLY A 85 -3.797 6.393 -7.101 1.00 0.00 C ATOM 467 C GLY A 85 -3.060 6.986 -5.895 1.00 0.00 C ATOM 468 O GLY A 85 -1.918 6.635 -5.626 1.00 0.00 O ATOM 0 H GLY A 85 -5.435 7.136 -8.151 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -4.519 5.653 -6.756 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.085 5.869 -7.738 1.00 0.00 H new ATOM 469 N LEU A 86 -3.763 7.844 -5.173 1.00 0.00 N ATOM 470 CA LEU A 86 -3.153 8.559 -4.046 1.00 0.00 C ATOM 471 C LEU A 86 -3.770 7.980 -2.775 1.00 0.00 C ATOM 472 O LEU A 86 -4.982 8.023 -2.587 1.00 0.00 O ATOM 473 CB LEU A 86 -3.347 10.064 -4.173 1.00 0.00 C ATOM 474 CG LEU A 86 -2.421 10.920 -3.284 1.00 0.00 C ATOM 475 CD1 LEU A 86 -2.961 11.072 -1.862 1.00 0.00 C ATOM 476 CD2 LEU A 86 -0.947 10.523 -3.311 1.00 0.00 C ATOM 0 H LEU A 86 -4.745 8.066 -5.338 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.072 8.420 -4.024 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.191 10.348 -5.214 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -4.382 10.303 -3.929 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.438 11.906 -3.748 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.274 11.682 -1.275 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.938 11.554 -1.893 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.056 10.088 -1.402 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -0.380 11.184 -2.655 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -0.841 9.494 -2.969 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.566 10.608 -4.329 1.00 0.00 H new ATOM 477 N LEU A 87 -2.957 7.181 -2.115 1.00 0.00 N ATOM 478 CA LEU A 87 -3.359 6.607 -0.815 1.00 0.00 C ATOM 479 C LEU A 87 -3.348 7.660 0.279 1.00 0.00 C ATOM 480 O LEU A 87 -2.380 8.383 0.521 1.00 0.00 O ATOM 481 CB LEU A 87 -2.481 5.441 -0.364 1.00 0.00 C ATOM 482 CG LEU A 87 -2.530 4.219 -1.278 1.00 0.00 C ATOM 483 CD1 LEU A 87 -1.493 3.196 -0.833 1.00 0.00 C ATOM 484 CD2 LEU A 87 -3.902 3.556 -1.233 1.00 0.00 C ATOM 0 H LEU A 87 -2.028 6.909 -2.436 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.369 6.230 -0.975 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -1.449 5.786 -0.295 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.785 5.141 0.639 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.324 4.557 -2.294 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.534 2.327 -1.490 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.499 3.641 -0.881 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -1.703 2.887 0.191 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.909 2.689 -1.893 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -4.119 3.238 -0.213 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.661 4.267 -1.560 1.00 0.00 H new ATOM 485 N TYR A 88 -4.491 7.622 0.921 1.00 0.00 N ATOM 486 CA TYR A 88 -4.820 8.471 2.085 1.00 0.00 C ATOM 487 C TYR A 88 -5.309 7.678 3.298 1.00 0.00 C ATOM 488 O TYR A 88 -5.652 6.499 3.195 1.00 0.00 O ATOM 489 CB TYR A 88 -5.818 9.580 1.702 1.00 0.00 C ATOM 490 CG TYR A 88 -7.143 9.073 1.139 1.00 0.00 C ATOM 491 CD1 TYR A 88 -8.187 8.719 2.013 1.00 0.00 C ATOM 492 CD2 TYR A 88 -7.282 8.966 -0.264 1.00 0.00 C ATOM 493 CE1 TYR A 88 -9.397 8.238 1.484 1.00 0.00 C ATOM 494 CE2 TYR A 88 -8.485 8.479 -0.796 1.00 0.00 C ATOM 495 CZ TYR A 88 -9.522 8.112 0.084 1.00 0.00 C ATOM 496 OH TYR A 88 -10.674 7.590 -0.429 1.00 0.00 O ATOM 0 H TYR A 88 -5.248 6.992 0.657 1.00 0.00 H new ATOM 0 HA TYR A 88 -3.884 8.939 2.390 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -6.021 10.188 2.583 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -5.351 10.233 0.965 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -8.060 8.816 3.081 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -6.472 9.255 -0.918 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -10.215 7.970 2.136 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -8.614 8.387 -1.864 1.00 0.00 H new ATOM 0 HH TYR A 88 -10.528 7.329 -1.362 1.00 0.00 H new ATOM 497 N GLY A 89 -5.206 8.351 4.436 1.00 0.00 N ATOM 498 CA GLY A 89 -5.703 7.915 5.753 1.00 0.00 C ATOM 499 C GLY A 89 -7.221 8.146 5.863 1.00 0.00 C ATOM 500 O GLY A 89 -7.682 9.277 5.943 1.00 0.00 O ATOM 0 H GLY A 89 -4.752 9.263 4.478 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -5.479 6.859 5.901 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -5.188 8.463 6.542 1.00 0.00 H new ATOM 501 N SER A 90 -7.948 7.035 5.737 1.00 0.00 N ATOM 502 CA SER A 90 -9.422 7.045 5.762 1.00 0.00 C ATOM 503 C SER A 90 -10.067 6.478 7.014 1.00 0.00 C ATOM 504 O SER A 90 -9.621 5.558 7.682 1.00 0.00 O ATOM 505 CB SER A 90 -9.949 6.336 4.507 1.00 0.00 C ATOM 506 OG SER A 90 -11.373 6.465 4.367 1.00 0.00 O ATOM 0 H SER A 90 -7.542 6.107 5.615 1.00 0.00 H new ATOM 0 HA SER A 90 -9.711 8.096 5.775 1.00 0.00 H new ATOM 0 HB2 SER A 90 -9.460 6.751 3.625 1.00 0.00 H new ATOM 0 HB3 SER A 90 -9.684 5.280 4.551 1.00 0.00 H new ATOM 0 HG SER A 90 -11.747 5.622 4.035 1.00 0.00 H new ATOM 507 N GLN A 91 -11.244 7.029 7.157 1.00 0.00 N ATOM 508 CA GLN A 91 -12.277 6.761 8.172 1.00 0.00 C ATOM 509 C GLN A 91 -13.038 5.472 7.857 1.00 0.00 C ATOM 510 O GLN A 91 -13.653 4.866 8.726 1.00 0.00 O ATOM 511 CB GLN A 91 -13.294 7.870 7.987 1.00 0.00 C ATOM 512 CG GLN A 91 -12.681 9.234 8.220 1.00 0.00 C ATOM 513 CD GLN A 91 -12.118 9.903 6.956 1.00 0.00 C ATOM 514 OE1 GLN A 91 -11.863 9.362 5.882 1.00 0.00 O ATOM 515 NE2 GLN A 91 -11.965 11.185 7.143 1.00 0.00 N ATOM 0 H GLN A 91 -11.552 7.753 6.508 1.00 0.00 H new ATOM 0 HA GLN A 91 -11.823 6.692 9.161 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -13.705 7.823 6.979 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -14.125 7.721 8.677 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -13.436 9.888 8.657 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -11.880 9.138 8.953 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -12.187 11.598 8.049 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -11.623 11.774 6.384 1.00 0.00 H new ATOM 516 N THR A 92 -13.123 5.195 6.556 1.00 0.00 N ATOM 517 CA THR A 92 -14.190 4.347 6.002 1.00 0.00 C ATOM 518 C THR A 92 -13.645 3.169 5.191 1.00 0.00 C ATOM 519 O THR A 92 -12.900 3.372 4.213 1.00 0.00 O ATOM 520 CB THR A 92 -15.204 5.147 5.173 1.00 0.00 C ATOM 521 OG1 THR A 92 -14.601 5.724 4.009 1.00 0.00 O ATOM 522 CG2 THR A 92 -15.909 6.232 6.003 1.00 0.00 C ATOM 0 H THR A 92 -12.465 5.545 5.860 1.00 0.00 H new ATOM 0 HA THR A 92 -14.714 3.938 6.866 1.00 0.00 H new ATOM 0 HB THR A 92 -15.961 4.433 4.848 1.00 0.00 H new ATOM 0 HG1 THR A 92 -13.864 5.154 3.706 1.00 0.00 H new ATOM 0 HG21 THR A 92 -16.616 6.770 5.372 1.00 0.00 H new ATOM 0 HG22 THR A 92 -16.443 5.767 6.832 1.00 0.00 H new ATOM 0 HG23 THR A 92 -15.168 6.929 6.394 1.00 0.00 H new ATOM 523 N PRO A 93 -13.928 1.950 5.647 1.00 0.00 N ATOM 524 CA PRO A 93 -13.722 0.738 4.833 1.00 0.00 C ATOM 525 C PRO A 93 -14.632 0.811 3.608 1.00 0.00 C ATOM 526 O PRO A 93 -15.755 1.321 3.657 1.00 0.00 O ATOM 527 CB PRO A 93 -14.088 -0.423 5.775 1.00 0.00 C ATOM 528 CG PRO A 93 -15.039 0.200 6.789 1.00 0.00 C ATOM 529 CD PRO A 93 -14.485 1.609 6.974 1.00 0.00 C ATOM 0 HA PRO A 93 -12.707 0.617 4.455 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -14.564 -1.240 5.233 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -13.203 -0.835 6.260 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -16.065 0.217 6.420 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -15.046 -0.355 7.727 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -15.266 2.309 7.271 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -13.719 1.638 7.748 1.00 0.00 H new ATOM 530 N ASN A 94 -14.012 0.521 2.476 1.00 0.00 N ATOM 531 CA ASN A 94 -14.645 0.614 1.152 1.00 0.00 C ATOM 532 C ASN A 94 -13.871 -0.267 0.160 1.00 0.00 C ATOM 533 O ASN A 94 -12.692 -0.559 0.369 1.00 0.00 O ATOM 534 CB ASN A 94 -14.553 2.082 0.707 1.00 0.00 C ATOM 535 CG ASN A 94 -15.611 2.449 -0.325 1.00 0.00 C ATOM 536 OD1 ASN A 94 -15.419 2.311 -1.523 1.00 0.00 O ATOM 537 ND2 ASN A 94 -16.772 2.846 0.138 1.00 0.00 N ATOM 0 H ASN A 94 -13.041 0.209 2.440 1.00 0.00 H new ATOM 0 HA ASN A 94 -15.682 0.282 1.189 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -14.660 2.729 1.578 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -13.564 2.270 0.290 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -17.537 3.046 -0.507 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -16.910 2.955 1.143 1.00 0.00 H new ATOM 538 N GLU A 95 -14.456 -0.334 -1.037 1.00 0.00 N ATOM 539 CA GLU A 95 -13.842 -0.783 -2.304 1.00 0.00 C ATOM 540 C GLU A 95 -12.466 -0.164 -2.619 1.00 0.00 C ATOM 541 O GLU A 95 -11.618 -0.800 -3.249 1.00 0.00 O ATOM 542 CB GLU A 95 -14.830 -0.387 -3.392 1.00 0.00 C ATOM 543 CG GLU A 95 -15.743 -1.526 -3.873 1.00 0.00 C ATOM 544 CD GLU A 95 -16.654 -2.086 -2.770 1.00 0.00 C ATOM 545 OE1 GLU A 95 -17.493 -1.308 -2.262 1.00 0.00 O ATOM 546 OE2 GLU A 95 -16.428 -3.259 -2.404 1.00 0.00 O ATOM 0 H GLU A 95 -15.431 -0.061 -1.164 1.00 0.00 H new ATOM 0 HA GLU A 95 -13.651 -1.854 -2.235 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -15.452 0.427 -3.021 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -14.274 0.000 -4.246 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -16.361 -1.164 -4.695 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -15.127 -2.333 -4.269 1.00 0.00 H new ATOM 547 N GLU A 96 -12.219 1.003 -2.014 1.00 0.00 N ATOM 548 CA GLU A 96 -10.985 1.811 -2.165 1.00 0.00 C ATOM 549 C GLU A 96 -9.851 1.365 -1.239 1.00 0.00 C ATOM 550 O GLU A 96 -8.678 1.615 -1.511 1.00 0.00 O ATOM 551 CB GLU A 96 -11.288 3.272 -1.852 1.00 0.00 C ATOM 552 CG GLU A 96 -12.075 3.928 -2.996 1.00 0.00 C ATOM 553 CD GLU A 96 -12.625 5.308 -2.621 1.00 0.00 C ATOM 554 OE1 GLU A 96 -13.737 5.321 -2.037 1.00 0.00 O ATOM 555 OE2 GLU A 96 -11.949 6.311 -2.918 1.00 0.00 O ATOM 0 H GLU A 96 -12.892 1.434 -1.381 1.00 0.00 H new ATOM 0 HA GLU A 96 -10.657 1.673 -3.195 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -11.861 3.338 -0.927 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -10.356 3.814 -1.689 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -11.428 4.024 -3.868 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -12.902 3.278 -3.282 1.00 0.00 H new ATOM 556 N CYS A 97 -10.278 0.925 -0.067 1.00 0.00 N ATOM 557 CA CYS A 97 -9.406 0.346 0.960 1.00 0.00 C ATOM 558 C CYS A 97 -9.095 -1.147 0.731 1.00 0.00 C ATOM 559 O CYS A 97 -8.319 -1.771 1.447 1.00 0.00 O ATOM 560 CB CYS A 97 -10.008 0.494 2.369 1.00 0.00 C ATOM 561 SG CYS A 97 -8.985 -0.080 3.767 1.00 0.00 S ATOM 0 H CYS A 97 -11.259 0.958 0.210 1.00 0.00 H new ATOM 0 HA CYS A 97 -8.477 0.911 0.881 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -10.242 1.546 2.529 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -10.952 -0.050 2.394 1.00 0.00 H new ATOM 0 HG CYS A 97 -7.851 0.556 3.765 1.00 0.00 H new ATOM 562 N LEU A 98 -9.759 -1.730 -0.265 1.00 0.00 N ATOM 563 CA LEU A 98 -9.598 -3.148 -0.631 1.00 0.00 C ATOM 564 C LEU A 98 -8.470 -3.351 -1.629 1.00 0.00 C ATOM 565 O LEU A 98 -8.518 -2.920 -2.771 1.00 0.00 O ATOM 566 CB LEU A 98 -10.953 -3.657 -1.124 1.00 0.00 C ATOM 567 CG LEU A 98 -11.819 -3.932 0.100 1.00 0.00 C ATOM 568 CD1 LEU A 98 -13.311 -3.934 -0.256 1.00 0.00 C ATOM 569 CD2 LEU A 98 -11.449 -5.194 0.871 1.00 0.00 C ATOM 0 H LEU A 98 -10.431 -1.233 -0.850 1.00 0.00 H new ATOM 0 HA LEU A 98 -9.298 -3.736 0.236 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -11.427 -2.918 -1.770 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -10.828 -4.564 -1.716 1.00 0.00 H new ATOM 0 HG LEU A 98 -11.612 -3.103 0.777 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -13.899 -4.133 0.640 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -13.589 -2.962 -0.664 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -13.507 -4.708 -0.998 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -12.118 -5.308 1.724 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -11.544 -6.061 0.217 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -10.421 -5.116 1.224 1.00 0.00 H new ATOM 570 N PHE A 99 -7.435 -3.950 -1.082 1.00 0.00 N ATOM 571 CA PHE A 99 -6.154 -4.144 -1.786 1.00 0.00 C ATOM 572 C PHE A 99 -5.842 -5.619 -2.038 1.00 0.00 C ATOM 573 O PHE A 99 -5.504 -6.401 -1.147 1.00 0.00 O ATOM 574 CB PHE A 99 -4.977 -3.514 -1.059 1.00 0.00 C ATOM 575 CG PHE A 99 -5.146 -2.015 -0.765 1.00 0.00 C ATOM 576 CD1 PHE A 99 -5.194 -1.116 -1.860 1.00 0.00 C ATOM 577 CD2 PHE A 99 -5.391 -1.584 0.556 1.00 0.00 C ATOM 578 CE1 PHE A 99 -5.533 0.231 -1.621 1.00 0.00 C ATOM 579 CE2 PHE A 99 -5.706 -0.230 0.783 1.00 0.00 C ATOM 580 CZ PHE A 99 -5.799 0.659 -0.312 1.00 0.00 C ATOM 0 H PHE A 99 -7.443 -4.323 -0.133 1.00 0.00 H new ATOM 0 HA PHE A 99 -6.287 -3.638 -2.742 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -4.821 -4.042 -0.118 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -4.077 -3.656 -1.657 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -4.974 -1.458 -2.861 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -5.338 -2.281 1.379 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -5.588 0.930 -2.442 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -5.876 0.127 1.788 1.00 0.00 H new ATOM 0 HZ PHE A 99 -6.080 1.687 -0.137 1.00 0.00 H new ATOM 581 N LEU A 100 -6.099 -5.961 -3.280 1.00 0.00 N ATOM 582 CA LEU A 100 -5.979 -7.324 -3.802 1.00 0.00 C ATOM 583 C LEU A 100 -4.561 -7.873 -3.861 1.00 0.00 C ATOM 584 O LEU A 100 -3.740 -7.464 -4.680 1.00 0.00 O ATOM 585 CB LEU A 100 -6.670 -7.464 -5.161 1.00 0.00 C ATOM 586 CG LEU A 100 -7.535 -8.695 -5.035 1.00 0.00 C ATOM 587 CD1 LEU A 100 -8.860 -8.563 -5.811 1.00 0.00 C ATOM 588 CD2 LEU A 100 -6.840 -10.007 -5.422 1.00 0.00 C ATOM 0 H LEU A 100 -6.406 -5.288 -3.982 1.00 0.00 H new ATOM 0 HA LEU A 100 -6.494 -7.942 -3.066 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -7.269 -6.583 -5.392 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -5.942 -7.574 -5.965 1.00 0.00 H new ATOM 0 HG LEU A 100 -7.746 -8.753 -3.967 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -9.446 -9.474 -5.688 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.425 -7.714 -5.425 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -8.648 -8.407 -6.869 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -7.536 -10.837 -5.301 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -6.516 -9.954 -6.461 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -5.974 -10.163 -4.779 1.00 0.00 H new ATOM 589 N GLU A 101 -4.332 -8.721 -2.864 1.00 0.00 N ATOM 590 CA GLU A 101 -3.110 -9.533 -2.725 1.00 0.00 C ATOM 591 C GLU A 101 -2.884 -10.456 -3.941 1.00 0.00 C ATOM 592 O GLU A 101 -3.413 -11.556 -4.051 1.00 0.00 O ATOM 593 CB GLU A 101 -3.126 -10.407 -1.476 1.00 0.00 C ATOM 594 CG GLU A 101 -3.302 -9.663 -0.156 1.00 0.00 C ATOM 595 CD GLU A 101 -3.001 -10.591 1.015 1.00 0.00 C ATOM 596 OE1 GLU A 101 -1.793 -10.763 1.302 1.00 0.00 O ATOM 597 OE2 GLU A 101 -3.970 -11.143 1.579 1.00 0.00 O ATOM 0 H GLU A 101 -5.001 -8.872 -2.109 1.00 0.00 H new ATOM 0 HA GLU A 101 -2.300 -8.808 -2.651 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -3.932 -11.135 -1.573 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -2.193 -10.969 -1.435 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -2.637 -8.800 -0.125 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -4.321 -9.284 -0.077 1.00 0.00 H new ATOM 598 N ARG A 102 -2.064 -9.935 -4.834 1.00 0.00 N ATOM 599 CA ARG A 102 -1.571 -10.628 -6.039 1.00 0.00 C ATOM 600 C ARG A 102 -0.077 -10.911 -5.838 1.00 0.00 C ATOM 601 O ARG A 102 0.805 -10.093 -6.130 1.00 0.00 O ATOM 602 CB ARG A 102 -1.836 -9.780 -7.263 1.00 0.00 C ATOM 603 CG ARG A 102 -1.663 -10.644 -8.507 1.00 0.00 C ATOM 604 CD ARG A 102 -2.140 -9.917 -9.755 1.00 0.00 C ATOM 605 NE ARG A 102 -1.050 -9.192 -10.439 1.00 0.00 N ATOM 606 CZ ARG A 102 -0.709 -9.384 -11.711 1.00 0.00 C ATOM 607 NH1 ARG A 102 -1.465 -10.114 -12.512 1.00 0.00 N ATOM 608 NH2 ARG A 102 0.292 -8.704 -12.254 1.00 0.00 N ATOM 0 H ARG A 102 -1.702 -8.985 -4.750 1.00 0.00 H new ATOM 0 HA ARG A 102 -2.090 -11.574 -6.194 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -2.845 -9.369 -7.226 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -1.149 -8.935 -7.292 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -0.614 -10.916 -8.621 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -2.222 -11.572 -8.388 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -2.582 -10.637 -10.444 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -2.926 -9.212 -9.483 1.00 0.00 H new ATOM 0 HE ARG A 102 -0.526 -8.501 -9.903 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -2.322 -10.539 -12.158 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -1.192 -10.253 -13.485 1.00 0.00 H new ATOM 0 HH21 ARG A 102 0.810 -8.025 -11.696 1.00 0.00 H new ATOM 0 HH22 ARG A 102 0.544 -8.860 -13.230 1.00 0.00 H new ATOM 609 N LEU A 103 0.092 -11.886 -4.971 1.00 0.00 N ATOM 610 CA LEU A 103 1.379 -12.531 -4.669 1.00 0.00 C ATOM 611 C LEU A 103 1.917 -13.185 -5.940 1.00 0.00 C ATOM 612 O LEU A 103 1.348 -14.099 -6.537 1.00 0.00 O ATOM 613 CB LEU A 103 1.130 -13.466 -3.488 1.00 0.00 C ATOM 614 CG LEU A 103 2.300 -14.315 -2.936 1.00 0.00 C ATOM 615 CD1 LEU A 103 2.648 -15.517 -3.819 1.00 0.00 C ATOM 616 CD2 LEU A 103 3.536 -13.487 -2.565 1.00 0.00 C ATOM 0 H LEU A 103 -0.682 -12.274 -4.431 1.00 0.00 H new ATOM 0 HA LEU A 103 2.166 -11.840 -4.366 1.00 0.00 H new ATOM 0 HB2 LEU A 103 0.748 -12.861 -2.666 1.00 0.00 H new ATOM 0 HB3 LEU A 103 0.334 -14.153 -3.776 1.00 0.00 H new ATOM 0 HG LEU A 103 1.924 -14.727 -1.999 1.00 0.00 H new ATOM 0 HD11 LEU A 103 3.476 -16.068 -3.373 1.00 0.00 H new ATOM 0 HD12 LEU A 103 1.780 -16.171 -3.902 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.936 -15.169 -4.811 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.316 -14.147 -2.185 1.00 0.00 H new ATOM 0 HD22 LEU A 103 3.902 -12.964 -3.448 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.270 -12.761 -1.797 1.00 0.00 H new ATOM 617 N GLU A 104 2.869 -12.424 -6.456 1.00 0.00 N ATOM 618 CA GLU A 104 3.508 -12.615 -7.761 1.00 0.00 C ATOM 619 C GLU A 104 4.606 -13.670 -7.747 1.00 0.00 C ATOM 620 O GLU A 104 5.364 -13.800 -6.773 1.00 0.00 O ATOM 621 CB GLU A 104 4.076 -11.277 -8.229 1.00 0.00 C ATOM 622 CG GLU A 104 2.985 -10.309 -8.683 1.00 0.00 C ATOM 623 CD GLU A 104 3.568 -9.051 -9.350 1.00 0.00 C ATOM 624 OE1 GLU A 104 4.699 -8.668 -8.975 1.00 0.00 O ATOM 625 OE2 GLU A 104 2.909 -8.556 -10.283 1.00 0.00 O ATOM 0 H GLU A 104 3.239 -11.615 -5.957 1.00 0.00 H new ATOM 0 HA GLU A 104 2.745 -12.979 -8.449 1.00 0.00 H new ATOM 0 HB2 GLU A 104 4.646 -10.824 -7.418 1.00 0.00 H new ATOM 0 HB3 GLU A 104 4.771 -11.448 -9.051 1.00 0.00 H new ATOM 0 HG2 GLU A 104 2.320 -10.815 -9.383 1.00 0.00 H new ATOM 0 HG3 GLU A 104 2.380 -10.016 -7.825 1.00 0.00 H new ATOM 626 N GLU A 105 4.762 -14.284 -8.920 1.00 0.00 N ATOM 627 CA GLU A 105 5.757 -15.347 -9.179 1.00 0.00 C ATOM 628 C GLU A 105 7.204 -14.813 -9.342 1.00 0.00 C ATOM 629 O GLU A 105 7.796 -14.782 -10.417 1.00 0.00 O ATOM 630 CB GLU A 105 5.284 -16.280 -10.312 1.00 0.00 C ATOM 631 CG GLU A 105 5.332 -15.793 -11.777 1.00 0.00 C ATOM 632 CD GLU A 105 4.433 -14.598 -12.105 1.00 0.00 C ATOM 633 OE1 GLU A 105 3.253 -14.850 -12.441 1.00 0.00 O ATOM 634 OE2 GLU A 105 4.913 -13.452 -11.970 1.00 0.00 O ATOM 0 H GLU A 105 4.194 -14.059 -9.737 1.00 0.00 H new ATOM 0 HA GLU A 105 5.820 -15.964 -8.283 1.00 0.00 H new ATOM 0 HB2 GLU A 105 5.879 -17.191 -10.253 1.00 0.00 H new ATOM 0 HB3 GLU A 105 4.253 -16.558 -10.095 1.00 0.00 H new ATOM 0 HG2 GLU A 105 6.361 -15.528 -12.020 1.00 0.00 H new ATOM 0 HG3 GLU A 105 5.054 -16.623 -12.427 1.00 0.00 H new ATOM 635 N ASN A 106 7.616 -14.194 -8.244 1.00 0.00 N ATOM 636 CA ASN A 106 8.958 -13.638 -8.022 1.00 0.00 C ATOM 637 C ASN A 106 9.376 -13.846 -6.552 1.00 0.00 C ATOM 638 O ASN A 106 10.218 -14.692 -6.264 1.00 0.00 O ATOM 639 CB ASN A 106 9.049 -12.166 -8.500 1.00 0.00 C ATOM 640 CG ASN A 106 7.910 -11.228 -8.074 1.00 0.00 C ATOM 641 OD1 ASN A 106 7.576 -11.056 -6.918 1.00 0.00 O ATOM 642 ND2 ASN A 106 7.250 -10.594 -9.014 1.00 0.00 N ATOM 0 H ASN A 106 7.001 -14.056 -7.442 1.00 0.00 H new ATOM 0 HA ASN A 106 9.681 -14.178 -8.633 1.00 0.00 H new ATOM 0 HB2 ASN A 106 9.987 -11.748 -8.136 1.00 0.00 H new ATOM 0 HB3 ASN A 106 9.101 -12.165 -9.589 1.00 0.00 H new ATOM 0 HD21 ASN A 106 6.478 -9.975 -8.766 1.00 0.00 H new ATOM 0 HD22 ASN A 106 7.509 -10.720 -9.993 1.00 0.00 H new ATOM 643 N HIS A 107 8.651 -13.167 -5.658 1.00 0.00 N ATOM 644 CA HIS A 107 8.831 -13.148 -4.188 1.00 0.00 C ATOM 645 C HIS A 107 7.744 -12.315 -3.491 1.00 0.00 C ATOM 646 O HIS A 107 7.275 -12.644 -2.395 1.00 0.00 O ATOM 647 CB HIS A 107 10.174 -12.453 -3.918 1.00 0.00 C ATOM 648 CG HIS A 107 10.680 -12.578 -2.488 1.00 0.00 C ATOM 649 ND1 HIS A 107 10.046 -13.132 -1.441 1.00 0.00 N ATOM 650 CD2 HIS A 107 11.872 -12.182 -2.064 1.00 0.00 C ATOM 651 CE1 HIS A 107 10.862 -13.091 -0.401 1.00 0.00 C ATOM 652 NE2 HIS A 107 11.982 -12.509 -0.782 1.00 0.00 N ATOM 0 H HIS A 107 7.872 -12.577 -5.951 1.00 0.00 H new ATOM 0 HA HIS A 107 8.784 -14.169 -3.810 1.00 0.00 H new ATOM 0 HB2 HIS A 107 10.924 -12.868 -4.592 1.00 0.00 H new ATOM 0 HB3 HIS A 107 10.076 -11.395 -4.163 1.00 0.00 H new ATOM 0 HD1 HIS A 107 9.101 -13.517 -1.447 1.00 0.00 H new ATOM 0 HD2 HIS A 107 12.622 -11.681 -2.658 1.00 0.00 H new ATOM 0 HE1 HIS A 107 10.648 -13.468 0.588 1.00 0.00 H new ATOM 653 N TYR A 108 7.430 -11.196 -4.139 1.00 0.00 N ATOM 654 CA TYR A 108 6.593 -10.091 -3.677 1.00 0.00 C ATOM 655 C TYR A 108 5.103 -10.398 -3.698 1.00 0.00 C ATOM 656 O TYR A 108 4.559 -11.049 -4.599 1.00 0.00 O ATOM 657 CB TYR A 108 6.890 -8.883 -4.585 1.00 0.00 C ATOM 658 CG TYR A 108 8.330 -8.385 -4.379 1.00 0.00 C ATOM 659 CD1 TYR A 108 8.598 -7.708 -3.176 1.00 0.00 C ATOM 660 CD2 TYR A 108 9.372 -8.883 -5.199 1.00 0.00 C ATOM 661 CE1 TYR A 108 9.926 -7.592 -2.727 1.00 0.00 C ATOM 662 CE2 TYR A 108 10.700 -8.759 -4.761 1.00 0.00 C ATOM 663 CZ TYR A 108 10.946 -8.120 -3.527 1.00 0.00 C ATOM 664 OH TYR A 108 12.241 -7.877 -3.158 1.00 0.00 O ATOM 0 H TYR A 108 7.784 -11.024 -5.080 1.00 0.00 H new ATOM 0 HA TYR A 108 6.836 -9.894 -2.633 1.00 0.00 H new ATOM 0 HB2 TYR A 108 6.743 -9.162 -5.628 1.00 0.00 H new ATOM 0 HB3 TYR A 108 6.188 -8.078 -4.368 1.00 0.00 H new ATOM 0 HD1 TYR A 108 7.790 -7.280 -2.601 1.00 0.00 H new ATOM 0 HD2 TYR A 108 9.148 -9.351 -6.146 1.00 0.00 H new ATOM 0 HE1 TYR A 108 10.153 -7.108 -1.789 1.00 0.00 H new ATOM 0 HE2 TYR A 108 11.515 -9.144 -5.355 1.00 0.00 H new ATOM 0 HH TYR A 108 12.849 -8.301 -3.799 1.00 0.00 H new ATOM 665 N ASN A 109 4.475 -9.621 -2.847 1.00 0.00 N ATOM 666 CA ASN A 109 3.009 -9.623 -2.659 1.00 0.00 C ATOM 667 C ASN A 109 2.514 -8.215 -2.966 1.00 0.00 C ATOM 668 O ASN A 109 2.853 -7.231 -2.322 1.00 0.00 O ATOM 669 CB ASN A 109 2.629 -10.032 -1.253 1.00 0.00 C ATOM 670 CG ASN A 109 1.158 -10.411 -1.085 1.00 0.00 C ATOM 671 OD1 ASN A 109 0.265 -10.074 -1.854 1.00 0.00 O ATOM 672 ND2 ASN A 109 0.921 -11.173 -0.037 1.00 0.00 N ATOM 0 H ASN A 109 4.959 -8.953 -2.248 1.00 0.00 H new ATOM 0 HA ASN A 109 2.547 -10.351 -3.326 1.00 0.00 H new ATOM 0 HB2 ASN A 109 3.247 -10.879 -0.954 1.00 0.00 H new ATOM 0 HB3 ASN A 109 2.861 -9.212 -0.573 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -0.027 -11.499 0.153 1.00 0.00 H new ATOM 0 HD22 ASN A 109 1.685 -11.437 0.585 1.00 0.00 H new ATOM 673 N THR A 110 1.740 -8.192 -4.035 1.00 0.00 N ATOM 674 CA THR A 110 1.402 -6.923 -4.700 1.00 0.00 C ATOM 675 C THR A 110 -0.105 -6.640 -4.639 1.00 0.00 C ATOM 676 O THR A 110 -0.900 -7.557 -4.459 1.00 0.00 O ATOM 677 CB THR A 110 1.952 -6.824 -6.131 1.00 0.00 C ATOM 678 OG1 THR A 110 1.216 -7.651 -7.044 1.00 0.00 O ATOM 679 CG2 THR A 110 3.439 -7.191 -6.196 1.00 0.00 C ATOM 0 H THR A 110 1.332 -9.021 -4.466 1.00 0.00 H new ATOM 0 HA THR A 110 1.907 -6.138 -4.137 1.00 0.00 H new ATOM 0 HB THR A 110 1.835 -5.782 -6.430 1.00 0.00 H new ATOM 0 HG1 THR A 110 0.822 -8.405 -6.557 1.00 0.00 H new ATOM 0 HG21 THR A 110 3.790 -7.108 -7.225 1.00 0.00 H new ATOM 0 HG22 THR A 110 4.009 -6.512 -5.563 1.00 0.00 H new ATOM 0 HG23 THR A 110 3.577 -8.214 -5.847 1.00 0.00 H new ATOM 680 N TYR A 111 -0.454 -5.362 -4.664 1.00 0.00 N ATOM 681 CA TYR A 111 -1.812 -4.936 -4.293 1.00 0.00 C ATOM 682 C TYR A 111 -2.476 -4.101 -5.380 1.00 0.00 C ATOM 683 O TYR A 111 -1.937 -3.075 -5.800 1.00 0.00 O ATOM 684 CB TYR A 111 -1.789 -4.151 -2.969 1.00 0.00 C ATOM 685 CG TYR A 111 -1.165 -4.950 -1.828 1.00 0.00 C ATOM 686 CD1 TYR A 111 -1.885 -6.031 -1.278 1.00 0.00 C ATOM 687 CD2 TYR A 111 0.159 -4.660 -1.439 1.00 0.00 C ATOM 688 CE1 TYR A 111 -1.247 -6.865 -0.346 1.00 0.00 C ATOM 689 CE2 TYR A 111 0.797 -5.503 -0.495 1.00 0.00 C ATOM 690 CZ TYR A 111 0.087 -6.608 0.027 1.00 0.00 C ATOM 691 OH TYR A 111 0.748 -7.536 0.768 1.00 0.00 O ATOM 0 H TYR A 111 0.171 -4.602 -4.933 1.00 0.00 H new ATOM 0 HA TYR A 111 -2.404 -5.842 -4.168 1.00 0.00 H new ATOM 0 HB2 TYR A 111 -1.230 -3.226 -3.108 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -2.807 -3.871 -2.698 1.00 0.00 H new ATOM 0 HD1 TYR A 111 -2.909 -6.214 -1.569 1.00 0.00 H new ATOM 0 HD2 TYR A 111 0.679 -3.809 -1.854 1.00 0.00 H new ATOM 0 HE1 TYR A 111 -1.778 -7.702 0.084 1.00 0.00 H new ATOM 0 HE2 TYR A 111 1.810 -5.304 -0.179 1.00 0.00 H new ATOM 0 HH TYR A 111 0.257 -8.384 0.744 1.00 0.00 H new ATOM 692 N ILE A 112 -3.534 -4.672 -5.929 1.00 0.00 N ATOM 693 CA ILE A 112 -4.390 -3.972 -6.905 1.00 0.00 C ATOM 694 C ILE A 112 -5.633 -3.502 -6.133 1.00 0.00 C ATOM 695 O ILE A 112 -6.307 -4.289 -5.474 1.00 0.00 O ATOM 696 CB ILE A 112 -4.835 -4.850 -8.083 1.00 0.00 C ATOM 697 CG1 ILE A 112 -3.686 -5.718 -8.634 1.00 0.00 C ATOM 698 CG2 ILE A 112 -5.393 -3.925 -9.186 1.00 0.00 C ATOM 699 CD1 ILE A 112 -4.096 -6.767 -9.667 1.00 0.00 C ATOM 0 H ILE A 112 -3.833 -5.625 -5.721 1.00 0.00 H new ATOM 0 HA ILE A 112 -3.818 -3.154 -7.343 1.00 0.00 H new ATOM 0 HB ILE A 112 -5.602 -5.542 -7.736 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -2.941 -5.062 -9.083 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -3.203 -6.224 -7.799 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -5.717 -4.526 -10.036 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -6.241 -3.363 -8.795 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -4.616 -3.232 -9.507 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -3.216 -7.323 -9.990 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -4.816 -7.454 -9.222 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -4.549 -6.273 -10.527 1.00 0.00 H new ATOM 700 N SER A 113 -5.832 -2.188 -6.141 1.00 0.00 N ATOM 701 CA SER A 113 -7.037 -1.610 -5.517 1.00 0.00 C ATOM 702 C SER A 113 -8.308 -2.111 -6.217 1.00 0.00 C ATOM 703 O SER A 113 -8.605 -1.725 -7.351 1.00 0.00 O ATOM 704 CB SER A 113 -7.050 -0.088 -5.543 1.00 0.00 C ATOM 705 OG SER A 113 -6.173 0.445 -4.551 1.00 0.00 O ATOM 0 H SER A 113 -5.196 -1.509 -6.560 1.00 0.00 H new ATOM 0 HA SER A 113 -7.014 -1.937 -4.477 1.00 0.00 H new ATOM 0 HB2 SER A 113 -6.748 0.266 -6.529 1.00 0.00 H new ATOM 0 HB3 SER A 113 -8.064 0.274 -5.371 1.00 0.00 H new ATOM 0 HG SER A 113 -6.172 -0.141 -3.766 1.00 0.00 H new ATOM 706 N LYS A 114 -9.007 -2.976 -5.504 1.00 0.00 N ATOM 707 CA LYS A 114 -10.206 -3.727 -5.957 1.00 0.00 C ATOM 708 C LYS A 114 -11.147 -2.902 -6.854 1.00 0.00 C ATOM 709 O LYS A 114 -11.532 -3.357 -7.938 1.00 0.00 O ATOM 710 CB LYS A 114 -10.983 -4.202 -4.728 1.00 0.00 C ATOM 711 CG LYS A 114 -12.137 -5.149 -5.064 1.00 0.00 C ATOM 712 CD LYS A 114 -13.083 -5.197 -3.862 1.00 0.00 C ATOM 713 CE LYS A 114 -14.167 -6.255 -4.013 1.00 0.00 C ATOM 714 NZ LYS A 114 -15.091 -6.122 -2.883 1.00 0.00 N ATOM 0 H LYS A 114 -8.756 -3.198 -4.541 1.00 0.00 H new ATOM 0 HA LYS A 114 -9.849 -4.563 -6.559 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -10.297 -4.705 -4.047 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -11.378 -3.334 -4.200 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -12.667 -4.802 -5.951 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -11.757 -6.146 -5.289 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -12.507 -5.398 -2.959 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -13.549 -4.220 -3.732 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -14.698 -6.125 -4.956 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -13.727 -7.252 -4.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -15.897 -6.766 -3.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -14.597 -6.363 -2.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -15.436 -5.142 -2.830 1.00 0.00 H new ATOM 715 N LYS A 115 -11.488 -1.691 -6.408 1.00 0.00 N ATOM 716 CA LYS A 115 -12.317 -0.717 -7.155 1.00 0.00 C ATOM 717 C LYS A 115 -11.909 -0.576 -8.638 1.00 0.00 C ATOM 718 O LYS A 115 -12.731 -0.790 -9.536 1.00 0.00 O ATOM 719 CB LYS A 115 -12.214 0.646 -6.452 1.00 0.00 C ATOM 720 CG LYS A 115 -13.285 1.617 -6.948 1.00 0.00 C ATOM 721 CD LYS A 115 -13.195 2.999 -6.294 1.00 0.00 C ATOM 722 CE LYS A 115 -12.340 4.021 -7.067 1.00 0.00 C ATOM 723 NZ LYS A 115 -10.900 3.691 -7.041 1.00 0.00 N ATOM 0 H LYS A 115 -11.193 -1.343 -5.496 1.00 0.00 H new ATOM 0 HA LYS A 115 -13.343 -1.086 -7.157 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -12.316 0.509 -5.375 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -11.226 1.073 -6.627 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -13.194 1.727 -8.029 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -14.270 1.193 -6.752 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -14.203 3.399 -6.182 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -12.783 2.886 -5.291 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -12.680 4.066 -8.102 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -12.490 5.012 -6.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -10.361 4.452 -7.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -10.585 3.591 -6.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -10.739 2.797 -7.548 1.00 0.00 H new ATOM 724 N HIS A 116 -10.614 -0.452 -8.862 1.00 0.00 N ATOM 725 CA HIS A 116 -10.004 -0.259 -10.197 1.00 0.00 C ATOM 726 C HIS A 116 -9.280 -1.499 -10.752 1.00 0.00 C ATOM 727 O HIS A 116 -8.415 -1.373 -11.623 1.00 0.00 O ATOM 728 CB HIS A 116 -9.042 0.929 -10.127 1.00 0.00 C ATOM 729 CG HIS A 116 -9.646 2.306 -10.426 1.00 0.00 C ATOM 730 ND1 HIS A 116 -8.941 3.336 -10.881 1.00 0.00 N ATOM 731 CD2 HIS A 116 -10.880 2.747 -10.192 1.00 0.00 C ATOM 732 CE1 HIS A 116 -9.709 4.416 -10.899 1.00 0.00 C ATOM 733 NE2 HIS A 116 -10.912 4.044 -10.471 1.00 0.00 N ATOM 0 H HIS A 116 -9.925 -0.481 -8.111 1.00 0.00 H new ATOM 0 HA HIS A 116 -10.820 -0.069 -10.894 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -8.603 0.956 -9.130 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -8.227 0.752 -10.829 1.00 0.00 H new ATOM 0 HD1 HIS A 116 -7.964 3.301 -11.171 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -11.710 2.153 -9.837 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -9.414 5.409 -11.203 1.00 0.00 H new ATOM 734 N ALA A 117 -9.828 -2.688 -10.445 1.00 0.00 N ATOM 735 CA ALA A 117 -9.274 -4.002 -10.875 1.00 0.00 C ATOM 736 C ALA A 117 -9.485 -4.382 -12.363 1.00 0.00 C ATOM 737 O ALA A 117 -9.381 -5.536 -12.782 1.00 0.00 O ATOM 738 CB ALA A 117 -9.855 -5.081 -9.948 1.00 0.00 C ATOM 0 H ALA A 117 -10.677 -2.774 -9.886 1.00 0.00 H new ATOM 0 HA ALA A 117 -8.190 -3.922 -10.792 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -9.467 -6.057 -10.238 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -9.569 -4.868 -8.918 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -10.942 -5.084 -10.029 1.00 0.00 H new ATOM 739 N GLU A 118 -9.647 -3.340 -13.176 1.00 0.00 N ATOM 740 CA GLU A 118 -9.817 -3.351 -14.639 1.00 0.00 C ATOM 741 C GLU A 118 -8.740 -2.500 -15.313 1.00 0.00 C ATOM 742 O GLU A 118 -7.954 -2.972 -16.131 1.00 0.00 O ATOM 743 CB GLU A 118 -11.192 -2.779 -14.967 1.00 0.00 C ATOM 744 CG GLU A 118 -12.086 -3.819 -15.621 1.00 0.00 C ATOM 745 CD GLU A 118 -13.481 -3.226 -15.860 1.00 0.00 C ATOM 746 OE1 GLU A 118 -14.187 -3.032 -14.845 1.00 0.00 O ATOM 747 OE2 GLU A 118 -13.792 -2.925 -17.035 1.00 0.00 O ATOM 0 H GLU A 118 -9.665 -2.389 -12.806 1.00 0.00 H new ATOM 0 HA GLU A 118 -9.728 -4.373 -15.006 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -11.663 -2.415 -14.054 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -11.082 -1.922 -15.632 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -11.651 -4.143 -16.567 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -12.159 -4.701 -14.985 1.00 0.00 H new ATOM 748 N LYS A 119 -8.639 -1.299 -14.759 1.00 0.00 N ATOM 749 CA LYS A 119 -7.507 -0.362 -14.946 1.00 0.00 C ATOM 750 C LYS A 119 -6.220 -0.860 -14.273 1.00 0.00 C ATOM 751 O LYS A 119 -5.154 -0.294 -14.506 1.00 0.00 O ATOM 752 CB LYS A 119 -7.934 0.979 -14.354 1.00 0.00 C ATOM 753 CG LYS A 119 -9.077 1.652 -15.135 1.00 0.00 C ATOM 754 CD LYS A 119 -9.484 2.987 -14.520 1.00 0.00 C ATOM 755 CE LYS A 119 -8.461 4.108 -14.782 1.00 0.00 C ATOM 756 NZ LYS A 119 -8.954 5.346 -14.183 1.00 0.00 N ATOM 0 H LYS A 119 -9.361 -0.925 -14.143 1.00 0.00 H new ATOM 0 HA LYS A 119 -7.278 -0.274 -16.008 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -8.248 0.829 -13.321 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -7.074 1.649 -14.332 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -8.766 1.809 -16.168 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -9.940 0.986 -15.159 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -10.452 3.285 -14.922 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -9.610 2.862 -13.445 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -7.493 3.842 -14.357 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -8.313 4.240 -15.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -9.180 6.029 -14.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -9.810 5.146 -13.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -8.223 5.746 -13.561 1.00 0.00 H new ATOM 757 N ASN A 120 -6.301 -2.054 -13.681 1.00 0.00 N ATOM 758 CA ASN A 120 -5.324 -2.661 -12.772 1.00 0.00 C ATOM 759 C ASN A 120 -4.346 -1.705 -12.072 1.00 0.00 C ATOM 760 O ASN A 120 -3.127 -1.797 -12.155 1.00 0.00 O ATOM 761 CB ASN A 120 -4.665 -3.844 -13.483 1.00 0.00 C ATOM 762 CG ASN A 120 -5.698 -4.973 -13.617 1.00 0.00 C ATOM 763 OD1 ASN A 120 -6.079 -5.616 -12.651 1.00 0.00 O ATOM 764 ND2 ASN A 120 -6.329 -5.071 -14.759 1.00 0.00 N ATOM 0 H ASN A 120 -7.104 -2.664 -13.834 1.00 0.00 H new ATOM 0 HA ASN A 120 -5.877 -3.023 -11.905 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -4.305 -3.542 -14.467 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -3.798 -4.189 -12.919 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -7.139 -5.685 -14.843 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -6.010 -4.534 -15.565 1.00 0.00 H new ATOM 765 N TRP A 121 -5.004 -0.810 -11.337 1.00 0.00 N ATOM 766 CA TRP A 121 -4.341 0.193 -10.494 1.00 0.00 C ATOM 767 C TRP A 121 -3.742 -0.409 -9.224 1.00 0.00 C ATOM 768 O TRP A 121 -4.380 -0.585 -8.175 1.00 0.00 O ATOM 769 CB TRP A 121 -5.316 1.327 -10.187 1.00 0.00 C ATOM 770 CG TRP A 121 -5.388 2.375 -11.299 1.00 0.00 C ATOM 771 CD1 TRP A 121 -5.153 2.255 -12.617 1.00 0.00 C ATOM 772 CD2 TRP A 121 -5.642 3.710 -11.057 1.00 0.00 C ATOM 773 NE1 TRP A 121 -5.238 3.436 -13.207 1.00 0.00 N ATOM 774 CE2 TRP A 121 -5.549 4.352 -12.306 1.00 0.00 C ATOM 775 CE3 TRP A 121 -5.924 4.430 -9.887 1.00 0.00 C ATOM 776 CZ2 TRP A 121 -5.757 5.729 -12.419 1.00 0.00 C ATOM 777 CZ3 TRP A 121 -6.208 5.800 -10.008 1.00 0.00 C ATOM 778 CH2 TRP A 121 -6.134 6.453 -11.259 1.00 0.00 C ATOM 0 H TRP A 121 -6.022 -0.757 -11.307 1.00 0.00 H new ATOM 0 HA TRP A 121 -3.495 0.598 -11.049 1.00 0.00 H new ATOM 0 HB2 TRP A 121 -6.310 0.910 -10.025 1.00 0.00 H new ATOM 0 HB3 TRP A 121 -5.018 1.812 -9.257 1.00 0.00 H new ATOM 0 HD1 TRP A 121 -4.927 1.327 -13.122 1.00 0.00 H new ATOM 0 HE1 TRP A 121 -5.087 3.612 -14.200 1.00 0.00 H new ATOM 0 HE3 TRP A 121 -5.923 3.945 -8.922 1.00 0.00 H new ATOM 0 HZ2 TRP A 121 -5.634 6.230 -13.368 1.00 0.00 H new ATOM 0 HZ3 TRP A 121 -6.488 6.364 -9.130 1.00 0.00 H new ATOM 0 HH2 TRP A 121 -6.365 7.505 -11.332 1.00 0.00 H new ATOM 779 N PHE A 122 -2.438 -0.541 -9.371 1.00 0.00 N ATOM 780 CA PHE A 122 -1.580 -1.259 -8.419 1.00 0.00 C ATOM 781 C PHE A 122 -0.873 -0.308 -7.443 1.00 0.00 C ATOM 782 O PHE A 122 -0.982 0.903 -7.576 1.00 0.00 O ATOM 783 CB PHE A 122 -0.512 -1.971 -9.237 1.00 0.00 C ATOM 784 CG PHE A 122 -0.778 -3.441 -9.497 1.00 0.00 C ATOM 785 CD1 PHE A 122 -0.152 -4.383 -8.650 1.00 0.00 C ATOM 786 CD2 PHE A 122 -1.211 -3.805 -10.798 1.00 0.00 C ATOM 787 CE1 PHE A 122 0.111 -5.677 -9.139 1.00 0.00 C ATOM 788 CE2 PHE A 122 -0.949 -5.099 -11.287 1.00 0.00 C ATOM 789 CZ PHE A 122 -0.276 -6.022 -10.452 1.00 0.00 C ATOM 0 H PHE A 122 -1.927 -0.151 -10.163 1.00 0.00 H new ATOM 0 HA PHE A 122 -2.196 -1.941 -7.833 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -0.409 -1.461 -10.195 1.00 0.00 H new ATOM 0 HB3 PHE A 122 0.443 -1.876 -8.721 1.00 0.00 H new ATOM 0 HD1 PHE A 122 0.121 -4.114 -7.640 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -1.740 -3.091 -11.412 1.00 0.00 H new ATOM 0 HE1 PHE A 122 0.607 -6.403 -8.512 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -1.257 -5.382 -12.283 1.00 0.00 H new ATOM 0 HZ PHE A 122 -0.054 -7.010 -10.827 1.00 0.00 H new ATOM 790 N VAL A 123 -0.144 -0.890 -6.514 1.00 0.00 N ATOM 791 CA VAL A 123 0.732 -0.160 -5.582 1.00 0.00 C ATOM 792 C VAL A 123 2.051 0.363 -6.139 1.00 0.00 C ATOM 793 O VAL A 123 2.578 -0.210 -7.101 1.00 0.00 O ATOM 794 CB VAL A 123 0.994 -0.967 -4.289 1.00 0.00 C ATOM 795 CG1 VAL A 123 -0.212 -0.897 -3.346 1.00 0.00 C ATOM 796 CG2 VAL A 123 1.482 -2.398 -4.535 1.00 0.00 C ATOM 0 H VAL A 123 -0.134 -1.900 -6.372 1.00 0.00 H new ATOM 0 HA VAL A 123 0.148 0.735 -5.367 1.00 0.00 H new ATOM 0 HB VAL A 123 1.833 -0.485 -3.787 1.00 0.00 H new ATOM 0 HG11 VAL A 123 -0.003 -1.472 -2.444 1.00 0.00 H new ATOM 0 HG12 VAL A 123 -0.404 0.142 -3.077 1.00 0.00 H new ATOM 0 HG13 VAL A 123 -1.088 -1.311 -3.845 1.00 0.00 H new ATOM 0 HG21 VAL A 123 1.643 -2.897 -3.579 1.00 0.00 H new ATOM 0 HG22 VAL A 123 0.733 -2.944 -5.108 1.00 0.00 H new ATOM 0 HG23 VAL A 123 2.418 -2.372 -5.093 1.00 0.00 H new ATOM 797 N GLY A 124 2.378 1.565 -5.683 1.00 0.00 N ATOM 798 CA GLY A 124 3.662 2.219 -6.019 1.00 0.00 C ATOM 799 C GLY A 124 3.885 3.528 -5.265 1.00 0.00 C ATOM 800 O GLY A 124 2.946 4.254 -4.910 1.00 0.00 O ATOM 0 H GLY A 124 1.776 2.120 -5.075 1.00 0.00 H new ATOM 0 HA2 GLY A 124 4.480 1.535 -5.796 1.00 0.00 H new ATOM 0 HA3 GLY A 124 3.693 2.415 -7.091 1.00 0.00 H new ATOM 801 N LEU A 125 5.162 3.735 -4.988 1.00 0.00 N ATOM 802 CA LEU A 125 5.663 4.921 -4.295 1.00 0.00 C ATOM 803 C LEU A 125 6.450 5.867 -5.204 1.00 0.00 C ATOM 804 O LEU A 125 7.431 5.501 -5.857 1.00 0.00 O ATOM 805 CB LEU A 125 6.567 4.511 -3.122 1.00 0.00 C ATOM 806 CG LEU A 125 5.871 3.586 -2.113 1.00 0.00 C ATOM 807 CD1 LEU A 125 6.923 2.809 -1.346 1.00 0.00 C ATOM 808 CD2 LEU A 125 4.963 4.348 -1.149 1.00 0.00 C ATOM 0 H LEU A 125 5.897 3.074 -5.241 1.00 0.00 H new ATOM 0 HA LEU A 125 4.781 5.454 -3.941 1.00 0.00 H new ATOM 0 HB2 LEU A 125 7.453 4.010 -3.513 1.00 0.00 H new ATOM 0 HB3 LEU A 125 6.910 5.408 -2.606 1.00 0.00 H new ATOM 0 HG LEU A 125 5.229 2.903 -2.670 1.00 0.00 H new ATOM 0 HD11 LEU A 125 6.436 2.150 -0.627 1.00 0.00 H new ATOM 0 HD12 LEU A 125 7.515 2.214 -2.041 1.00 0.00 H new ATOM 0 HD13 LEU A 125 7.575 3.504 -0.817 1.00 0.00 H new ATOM 0 HD21 LEU A 125 4.496 3.647 -0.458 1.00 0.00 H new ATOM 0 HD22 LEU A 125 5.554 5.072 -0.588 1.00 0.00 H new ATOM 0 HD23 LEU A 125 4.190 4.870 -1.713 1.00 0.00 H new ATOM 809 N LYS A 126 6.145 7.122 -4.929 1.00 0.00 N ATOM 810 CA LYS A 126 6.703 8.319 -5.564 1.00 0.00 C ATOM 811 C LYS A 126 7.899 8.800 -4.728 1.00 0.00 C ATOM 812 O LYS A 126 7.786 9.048 -3.521 1.00 0.00 O ATOM 813 CB LYS A 126 5.577 9.362 -5.642 1.00 0.00 C ATOM 814 CG LYS A 126 6.005 10.756 -6.152 1.00 0.00 C ATOM 815 CD LYS A 126 6.543 10.720 -7.581 1.00 0.00 C ATOM 816 CE LYS A 126 7.132 12.060 -8.037 1.00 0.00 C ATOM 817 NZ LYS A 126 6.093 13.057 -8.348 1.00 0.00 N ATOM 0 H LYS A 126 5.458 7.356 -4.212 1.00 0.00 H new ATOM 0 HA LYS A 126 7.068 8.129 -6.573 1.00 0.00 H new ATOM 0 HB2 LYS A 126 4.793 8.979 -6.295 1.00 0.00 H new ATOM 0 HB3 LYS A 126 5.139 9.475 -4.650 1.00 0.00 H new ATOM 0 HG2 LYS A 126 5.152 11.433 -6.106 1.00 0.00 H new ATOM 0 HG3 LYS A 126 6.770 11.162 -5.490 1.00 0.00 H new ATOM 0 HD2 LYS A 126 7.310 9.949 -7.654 1.00 0.00 H new ATOM 0 HD3 LYS A 126 5.738 10.434 -8.259 1.00 0.00 H new ATOM 0 HE2 LYS A 126 7.784 12.451 -7.256 1.00 0.00 H new ATOM 0 HE3 LYS A 126 7.752 11.899 -8.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 6.543 13.944 -8.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 5.485 12.698 -9.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 5.516 13.233 -7.501 1.00 0.00 H new ATOM 818 N LYS A 127 9.012 8.935 -5.430 1.00 0.00 N ATOM 819 CA LYS A 127 10.329 9.384 -4.932 1.00 0.00 C ATOM 820 C LYS A 127 10.264 10.647 -4.062 1.00 0.00 C ATOM 821 O LYS A 127 10.938 10.762 -3.040 1.00 0.00 O ATOM 822 CB LYS A 127 11.247 9.673 -6.124 1.00 0.00 C ATOM 823 CG LYS A 127 11.412 8.459 -7.042 1.00 0.00 C ATOM 824 CD LYS A 127 12.174 8.828 -8.312 1.00 0.00 C ATOM 825 CE LYS A 127 13.679 8.988 -8.092 1.00 0.00 C ATOM 826 NZ LYS A 127 14.271 7.708 -7.661 1.00 0.00 N ATOM 0 H LYS A 127 9.036 8.724 -6.428 1.00 0.00 H new ATOM 0 HA LYS A 127 10.710 8.577 -4.307 1.00 0.00 H new ATOM 0 HB2 LYS A 127 10.841 10.506 -6.698 1.00 0.00 H new ATOM 0 HB3 LYS A 127 12.226 9.984 -5.758 1.00 0.00 H new ATOM 0 HG2 LYS A 127 11.944 7.669 -6.512 1.00 0.00 H new ATOM 0 HG3 LYS A 127 10.431 8.063 -7.305 1.00 0.00 H new ATOM 0 HD2 LYS A 127 12.004 8.059 -9.065 1.00 0.00 H new ATOM 0 HD3 LYS A 127 11.772 9.759 -8.711 1.00 0.00 H new ATOM 0 HE2 LYS A 127 14.155 9.325 -9.013 1.00 0.00 H new ATOM 0 HE3 LYS A 127 13.864 9.754 -7.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 15.293 7.716 -7.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 14.112 7.578 -6.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 13.826 6.926 -8.184 1.00 0.00 H new ATOM 827 N ASN A 128 9.410 11.555 -4.510 1.00 0.00 N ATOM 828 CA ASN A 128 9.032 12.794 -3.789 1.00 0.00 C ATOM 829 C ASN A 128 7.993 12.429 -2.707 1.00 0.00 C ATOM 830 O ASN A 128 6.790 12.656 -2.851 1.00 0.00 O ATOM 831 CB ASN A 128 8.504 13.770 -4.849 1.00 0.00 C ATOM 832 CG ASN A 128 8.299 15.185 -4.306 1.00 0.00 C ATOM 833 OD1 ASN A 128 9.196 16.015 -4.271 1.00 0.00 O ATOM 834 ND2 ASN A 128 7.111 15.450 -3.822 1.00 0.00 N ATOM 0 H ASN A 128 8.939 11.462 -5.410 1.00 0.00 H new ATOM 0 HA ASN A 128 9.864 13.270 -3.269 1.00 0.00 H new ATOM 0 HB2 ASN A 128 9.204 13.805 -5.684 1.00 0.00 H new ATOM 0 HB3 ASN A 128 7.558 13.396 -5.241 1.00 0.00 H new ATOM 0 HD21 ASN A 128 6.921 16.362 -3.407 1.00 0.00 H new ATOM 0 HD22 ASN A 128 6.376 14.744 -3.861 1.00 0.00 H new ATOM 835 N GLY A 129 8.521 11.644 -1.775 1.00 0.00 N ATOM 836 CA GLY A 129 7.878 11.035 -0.592 1.00 0.00 C ATOM 837 C GLY A 129 6.346 10.960 -0.619 1.00 0.00 C ATOM 838 O GLY A 129 5.666 11.788 -0.019 1.00 0.00 O ATOM 0 H GLY A 129 9.507 11.386 -1.824 1.00 0.00 H new ATOM 0 HA2 GLY A 129 8.269 10.025 -0.472 1.00 0.00 H new ATOM 0 HA3 GLY A 129 8.178 11.600 0.290 1.00 0.00 H new ATOM 839 N SER A 130 5.817 10.013 -1.403 1.00 0.00 N ATOM 840 CA SER A 130 4.361 9.760 -1.505 1.00 0.00 C ATOM 841 C SER A 130 4.043 8.380 -2.093 1.00 0.00 C ATOM 842 O SER A 130 4.916 7.716 -2.636 1.00 0.00 O ATOM 843 CB SER A 130 3.669 10.811 -2.394 1.00 0.00 C ATOM 844 OG SER A 130 3.606 12.054 -1.703 1.00 0.00 O ATOM 0 H SER A 130 6.381 9.396 -1.988 1.00 0.00 H new ATOM 0 HA SER A 130 3.987 9.814 -0.483 1.00 0.00 H new ATOM 0 HB2 SER A 130 4.218 10.930 -3.328 1.00 0.00 H new ATOM 0 HB3 SER A 130 2.665 10.477 -2.655 1.00 0.00 H new ATOM 0 HG SER A 130 4.099 11.984 -0.859 1.00 0.00 H new ATOM 845 N CYS A 131 2.851 7.894 -1.774 1.00 0.00 N ATOM 846 CA CYS A 131 2.277 6.701 -2.421 1.00 0.00 C ATOM 847 C CYS A 131 1.295 7.128 -3.511 1.00 0.00 C ATOM 848 O CYS A 131 0.098 7.332 -3.302 1.00 0.00 O ATOM 849 CB CYS A 131 1.601 5.742 -1.456 1.00 0.00 C ATOM 850 SG CYS A 131 1.475 4.062 -2.168 1.00 0.00 S ATOM 0 H CYS A 131 2.249 8.308 -1.062 1.00 0.00 H new ATOM 0 HA CYS A 131 3.114 6.152 -2.854 1.00 0.00 H new ATOM 0 HB2 CYS A 131 2.165 5.703 -0.524 1.00 0.00 H new ATOM 0 HB3 CYS A 131 0.605 6.111 -1.211 1.00 0.00 H new ATOM 0 HG CYS A 131 2.063 4.037 -3.327 1.00 0.00 H new ATOM 851 N LYS A 132 1.970 7.462 -4.595 1.00 0.00 N ATOM 852 CA LYS A 132 1.396 7.923 -5.859 1.00 0.00 C ATOM 853 C LYS A 132 1.541 6.790 -6.876 1.00 0.00 C ATOM 854 O LYS A 132 2.639 6.400 -7.264 1.00 0.00 O ATOM 855 CB LYS A 132 2.061 9.234 -6.309 1.00 0.00 C ATOM 856 CG LYS A 132 1.510 9.878 -7.590 1.00 0.00 C ATOM 857 CD LYS A 132 1.950 9.241 -8.923 1.00 0.00 C ATOM 858 CE LYS A 132 3.479 9.091 -9.013 1.00 0.00 C ATOM 859 NZ LYS A 132 3.916 8.755 -10.369 1.00 0.00 N ATOM 0 H LYS A 132 2.989 7.419 -4.626 1.00 0.00 H new ATOM 0 HA LYS A 132 0.337 8.157 -5.751 1.00 0.00 H new ATOM 0 HB2 LYS A 132 1.972 9.957 -5.498 1.00 0.00 H new ATOM 0 HB3 LYS A 132 3.125 9.045 -6.453 1.00 0.00 H new ATOM 0 HG2 LYS A 132 0.421 9.854 -7.543 1.00 0.00 H new ATOM 0 HG3 LYS A 132 1.806 10.927 -7.599 1.00 0.00 H new ATOM 0 HD2 LYS A 132 1.483 8.262 -9.029 1.00 0.00 H new ATOM 0 HD3 LYS A 132 1.596 9.854 -9.752 1.00 0.00 H new ATOM 0 HE2 LYS A 132 3.954 10.020 -8.698 1.00 0.00 H new ATOM 0 HE3 LYS A 132 3.809 8.315 -8.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 4.621 7.992 -10.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 3.098 8.441 -10.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 4.339 9.594 -10.815 1.00 0.00 H new ATOM 860 N ARG A 133 0.435 6.076 -6.962 1.00 0.00 N ATOM 861 CA ARG A 133 0.238 4.929 -7.857 1.00 0.00 C ATOM 862 C ARG A 133 -0.331 5.340 -9.225 1.00 0.00 C ATOM 863 O ARG A 133 0.379 5.487 -10.221 1.00 0.00 O ATOM 864 CB ARG A 133 -0.721 3.929 -7.189 1.00 0.00 C ATOM 865 CG ARG A 133 -0.484 3.651 -5.700 1.00 0.00 C ATOM 866 CD ARG A 133 -1.802 3.319 -4.982 1.00 0.00 C ATOM 867 NE ARG A 133 -2.362 2.051 -5.472 1.00 0.00 N ATOM 868 CZ ARG A 133 -3.017 1.137 -4.759 1.00 0.00 C ATOM 869 NH1 ARG A 133 -3.025 1.130 -3.444 1.00 0.00 N ATOM 870 NH2 ARG A 133 -3.454 0.041 -5.370 1.00 0.00 N ATOM 0 H ARG A 133 -0.387 6.278 -6.393 1.00 0.00 H new ATOM 0 HA ARG A 133 1.214 4.476 -8.032 1.00 0.00 H new ATOM 0 HB2 ARG A 133 -1.739 4.299 -7.310 1.00 0.00 H new ATOM 0 HB3 ARG A 133 -0.659 2.983 -7.728 1.00 0.00 H new ATOM 0 HG2 ARG A 133 0.213 2.821 -5.588 1.00 0.00 H new ATOM 0 HG3 ARG A 133 -0.021 4.521 -5.234 1.00 0.00 H new ATOM 0 HD2 ARG A 133 -1.629 3.254 -3.908 1.00 0.00 H new ATOM 0 HD3 ARG A 133 -2.520 4.124 -5.141 1.00 0.00 H new ATOM 0 HE ARG A 133 -2.235 1.850 -6.464 1.00 0.00 H new ATOM 0 HH11 ARG A 133 -2.514 1.846 -2.927 1.00 0.00 H new ATOM 0 HH12 ARG A 133 -3.542 0.409 -2.941 1.00 0.00 H new ATOM 0 HH21 ARG A 133 -3.286 -0.088 -6.368 1.00 0.00 H new ATOM 0 HH22 ARG A 133 -3.958 -0.671 -4.841 1.00 0.00 H new ATOM 871 N GLY A 134 -1.611 5.702 -9.183 1.00 0.00 N ATOM 872 CA GLY A 134 -2.531 5.898 -10.309 1.00 0.00 C ATOM 873 C GLY A 134 -2.238 4.997 -11.524 1.00 0.00 C ATOM 874 O GLY A 134 -1.911 3.826 -11.351 1.00 0.00 O ATOM 0 H GLY A 134 -2.072 5.881 -8.291 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -3.550 5.711 -9.969 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -2.486 6.941 -10.624 1.00 0.00 H new ATOM 875 N PRO A 135 -2.326 5.552 -12.731 1.00 0.00 N ATOM 876 CA PRO A 135 -2.370 4.734 -13.947 1.00 0.00 C ATOM 877 C PRO A 135 -0.990 4.291 -14.485 1.00 0.00 C ATOM 878 O PRO A 135 -0.879 3.806 -15.609 1.00 0.00 O ATOM 879 CB PRO A 135 -3.120 5.618 -14.935 1.00 0.00 C ATOM 880 CG PRO A 135 -2.704 7.032 -14.561 1.00 0.00 C ATOM 881 CD PRO A 135 -2.389 6.995 -13.058 1.00 0.00 C ATOM 0 HA PRO A 135 -2.854 3.776 -13.759 1.00 0.00 H new ATOM 0 HB2 PRO A 135 -2.850 5.383 -15.964 1.00 0.00 H new ATOM 0 HB3 PRO A 135 -4.198 5.484 -14.850 1.00 0.00 H new ATOM 0 HG2 PRO A 135 -1.833 7.347 -15.135 1.00 0.00 H new ATOM 0 HG3 PRO A 135 -3.502 7.743 -14.775 1.00 0.00 H new ATOM 0 HD2 PRO A 135 -1.445 7.494 -12.837 1.00 0.00 H new ATOM 0 HD3 PRO A 135 -3.161 7.501 -12.478 1.00 0.00 H new ATOM 882 N ARG A 136 0.043 4.516 -13.678 1.00 0.00 N ATOM 883 CA ARG A 136 1.416 4.108 -13.989 1.00 0.00 C ATOM 884 C ARG A 136 1.907 2.835 -13.276 1.00 0.00 C ATOM 885 O ARG A 136 2.881 2.212 -13.701 1.00 0.00 O ATOM 886 CB ARG A 136 2.374 5.302 -13.806 1.00 0.00 C ATOM 887 CG ARG A 136 2.600 5.779 -12.367 1.00 0.00 C ATOM 888 CD ARG A 136 3.880 5.155 -11.795 1.00 0.00 C ATOM 889 NE ARG A 136 3.978 5.370 -10.335 1.00 0.00 N ATOM 890 CZ ARG A 136 5.087 5.229 -9.609 1.00 0.00 C ATOM 891 NH1 ARG A 136 6.273 4.964 -10.148 1.00 0.00 N ATOM 892 NH2 ARG A 136 5.039 5.374 -8.292 1.00 0.00 N ATOM 0 H ARG A 136 -0.047 4.991 -12.780 1.00 0.00 H new ATOM 0 HA ARG A 136 1.411 3.810 -15.037 1.00 0.00 H new ATOM 0 HB2 ARG A 136 3.340 5.033 -14.233 1.00 0.00 H new ATOM 0 HB3 ARG A 136 1.990 6.140 -14.388 1.00 0.00 H new ATOM 0 HG2 ARG A 136 2.676 6.866 -12.344 1.00 0.00 H new ATOM 0 HG3 ARG A 136 1.746 5.506 -11.748 1.00 0.00 H new ATOM 0 HD2 ARG A 136 3.893 4.086 -12.009 1.00 0.00 H new ATOM 0 HD3 ARG A 136 4.750 5.589 -12.288 1.00 0.00 H new ATOM 0 HE ARG A 136 3.128 5.649 -9.844 1.00 0.00 H new ATOM 0 HH11 ARG A 136 6.362 4.860 -11.159 1.00 0.00 H new ATOM 0 HH12 ARG A 136 7.094 4.865 -9.551 1.00 0.00 H new ATOM 0 HH21 ARG A 136 4.154 5.593 -7.835 1.00 0.00 H new ATOM 0 HH22 ARG A 136 5.887 5.266 -7.736 1.00 0.00 H new ATOM 893 N THR A 137 1.208 2.467 -12.193 1.00 0.00 N ATOM 894 CA THR A 137 1.536 1.267 -11.410 1.00 0.00 C ATOM 895 C THR A 137 0.932 -0.016 -11.967 1.00 0.00 C ATOM 896 O THR A 137 -0.273 -0.267 -11.913 1.00 0.00 O ATOM 897 CB THR A 137 1.098 1.407 -9.948 1.00 0.00 C ATOM 898 OG1 THR A 137 -0.239 1.899 -9.885 1.00 0.00 O ATOM 899 CG2 THR A 137 2.058 2.254 -9.109 1.00 0.00 C ATOM 0 H THR A 137 0.406 2.988 -11.837 1.00 0.00 H new ATOM 0 HA THR A 137 2.621 1.188 -11.477 1.00 0.00 H new ATOM 0 HB THR A 137 1.128 0.413 -9.502 1.00 0.00 H new ATOM 0 HG1 THR A 137 -0.747 1.383 -9.224 1.00 0.00 H new ATOM 0 HG21 THR A 137 1.690 2.314 -8.085 1.00 0.00 H new ATOM 0 HG22 THR A 137 3.047 1.795 -9.113 1.00 0.00 H new ATOM 0 HG23 THR A 137 2.122 3.257 -9.531 1.00 0.00 H new ATOM 900 N HIS A 138 1.845 -0.770 -12.544 1.00 0.00 N ATOM 901 CA HIS A 138 1.676 -2.161 -13.027 1.00 0.00 C ATOM 902 C HIS A 138 3.050 -2.815 -13.190 1.00 0.00 C ATOM 903 O HIS A 138 4.105 -2.196 -13.127 1.00 0.00 O ATOM 904 CB HIS A 138 0.814 -2.241 -14.290 1.00 0.00 C ATOM 905 CG HIS A 138 1.089 -1.145 -15.324 1.00 0.00 C ATOM 906 ND1 HIS A 138 2.228 -0.909 -15.980 1.00 0.00 N ATOM 907 CD2 HIS A 138 0.270 -0.139 -15.574 1.00 0.00 C ATOM 908 CE1 HIS A 138 2.110 0.243 -16.622 1.00 0.00 C ATOM 909 NE2 HIS A 138 0.894 0.727 -16.362 1.00 0.00 N ATOM 0 H HIS A 138 2.790 -0.423 -12.707 1.00 0.00 H new ATOM 0 HA HIS A 138 1.122 -2.728 -12.279 1.00 0.00 H new ATOM 0 HB2 HIS A 138 0.971 -3.212 -14.760 1.00 0.00 H new ATOM 0 HB3 HIS A 138 -0.236 -2.193 -14.000 1.00 0.00 H new ATOM 0 HD2 HIS A 138 -0.738 -0.038 -15.200 1.00 0.00 H new ATOM 0 HE1 HIS A 138 2.862 0.707 -17.243 1.00 0.00 H new ATOM 0 HE2 HIS A 138 0.512 1.607 -16.708 1.00 0.00 H new ATOM 910 N TYR A 139 2.938 -4.131 -13.276 1.00 0.00 N ATOM 911 CA TYR A 139 4.049 -5.066 -13.320 1.00 0.00 C ATOM 912 C TYR A 139 5.027 -4.800 -14.465 1.00 0.00 C ATOM 913 O TYR A 139 4.712 -4.219 -15.506 1.00 0.00 O ATOM 914 CB TYR A 139 3.418 -6.454 -13.401 1.00 0.00 C ATOM 915 CG TYR A 139 4.358 -7.645 -13.103 1.00 0.00 C ATOM 916 CD1 TYR A 139 5.418 -7.523 -12.180 1.00 0.00 C ATOM 917 CD2 TYR A 139 3.982 -8.907 -13.626 1.00 0.00 C ATOM 918 CE1 TYR A 139 6.107 -8.673 -11.759 1.00 0.00 C ATOM 919 CE2 TYR A 139 4.659 -10.060 -13.200 1.00 0.00 C ATOM 920 CZ TYR A 139 5.696 -9.932 -12.254 1.00 0.00 C ATOM 921 OH TYR A 139 6.189 -11.044 -11.648 1.00 0.00 O ATOM 0 H TYR A 139 2.031 -4.596 -13.319 1.00 0.00 H new ATOM 0 HA TYR A 139 4.670 -4.960 -12.430 1.00 0.00 H new ATOM 0 HB2 TYR A 139 2.582 -6.493 -12.702 1.00 0.00 H new ATOM 0 HB3 TYR A 139 3.004 -6.585 -14.401 1.00 0.00 H new ATOM 0 HD1 TYR A 139 5.698 -6.552 -11.799 1.00 0.00 H new ATOM 0 HD2 TYR A 139 3.181 -8.981 -14.347 1.00 0.00 H new ATOM 0 HE1 TYR A 139 6.935 -8.597 -11.070 1.00 0.00 H new ATOM 0 HE2 TYR A 139 4.390 -11.030 -13.591 1.00 0.00 H new ATOM 0 HH TYR A 139 5.694 -11.831 -11.957 1.00 0.00 H new ATOM 922 N GLY A 140 6.224 -5.254 -14.158 1.00 0.00 N ATOM 923 CA GLY A 140 7.460 -5.041 -14.929 1.00 0.00 C ATOM 924 C GLY A 140 8.498 -4.286 -14.097 1.00 0.00 C ATOM 925 O GLY A 140 9.693 -4.565 -14.185 1.00 0.00 O ATOM 0 H GLY A 140 6.384 -5.814 -13.320 1.00 0.00 H new ATOM 0 HA2 GLY A 140 7.868 -6.002 -15.242 1.00 0.00 H new ATOM 0 HA3 GLY A 140 7.236 -4.479 -15.836 1.00 0.00 H new ATOM 926 N GLN A 141 8.019 -3.360 -13.259 1.00 0.00 N ATOM 927 CA GLN A 141 8.848 -2.519 -12.412 1.00 0.00 C ATOM 928 C GLN A 141 8.695 -2.799 -10.912 1.00 0.00 C ATOM 929 O GLN A 141 7.630 -3.159 -10.407 1.00 0.00 O ATOM 930 CB GLN A 141 8.461 -1.076 -12.759 1.00 0.00 C ATOM 931 CG GLN A 141 9.525 -0.054 -12.366 1.00 0.00 C ATOM 932 CD GLN A 141 10.902 -0.421 -12.933 1.00 0.00 C ATOM 933 OE1 GLN A 141 11.816 -0.792 -12.209 1.00 0.00 O ATOM 934 NE2 GLN A 141 11.013 -0.459 -14.245 1.00 0.00 N ATOM 0 H GLN A 141 7.021 -3.176 -13.154 1.00 0.00 H new ATOM 0 HA GLN A 141 9.901 -2.724 -12.605 1.00 0.00 H new ATOM 0 HB2 GLN A 141 8.277 -1.004 -13.831 1.00 0.00 H new ATOM 0 HB3 GLN A 141 7.526 -0.827 -12.258 1.00 0.00 H new ATOM 0 HG2 GLN A 141 9.234 0.932 -12.728 1.00 0.00 H new ATOM 0 HG3 GLN A 141 9.584 0.010 -11.279 1.00 0.00 H new ATOM 0 HE21 GLN A 141 10.240 -0.145 -14.832 1.00 0.00 H new ATOM 0 HE22 GLN A 141 11.872 -0.802 -14.674 1.00 0.00 H new ATOM 935 N LYS A 142 9.763 -2.403 -10.240 1.00 0.00 N ATOM 936 CA LYS A 142 9.890 -2.329 -8.765 1.00 0.00 C ATOM 937 C LYS A 142 8.797 -1.585 -8.012 1.00 0.00 C ATOM 938 O LYS A 142 8.387 -2.022 -6.938 1.00 0.00 O ATOM 939 CB LYS A 142 11.246 -1.697 -8.436 1.00 0.00 C ATOM 940 CG LYS A 142 12.442 -2.593 -8.754 1.00 0.00 C ATOM 941 CD LYS A 142 12.353 -3.878 -7.927 1.00 0.00 C ATOM 942 CE LYS A 142 13.536 -4.795 -8.217 1.00 0.00 C ATOM 943 NZ LYS A 142 13.247 -6.088 -7.594 1.00 0.00 N ATOM 0 H LYS A 142 10.615 -2.107 -10.716 1.00 0.00 H new ATOM 0 HA LYS A 142 9.792 -3.358 -8.420 1.00 0.00 H new ATOM 0 HB2 LYS A 142 11.345 -0.765 -8.992 1.00 0.00 H new ATOM 0 HB3 LYS A 142 11.269 -1.440 -7.377 1.00 0.00 H new ATOM 0 HG2 LYS A 142 12.457 -2.833 -9.817 1.00 0.00 H new ATOM 0 HG3 LYS A 142 13.372 -2.069 -8.532 1.00 0.00 H new ATOM 0 HD2 LYS A 142 12.331 -3.631 -6.866 1.00 0.00 H new ATOM 0 HD3 LYS A 142 11.422 -4.397 -8.153 1.00 0.00 H new ATOM 0 HE2 LYS A 142 13.679 -4.910 -9.291 1.00 0.00 H new ATOM 0 HE3 LYS A 142 14.457 -4.372 -7.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 14.035 -6.743 -7.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 13.127 -5.960 -6.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 12.373 -6.481 -7.999 1.00 0.00 H new ATOM 944 N ALA A 143 8.190 -0.621 -8.723 1.00 0.00 N ATOM 945 CA ALA A 143 7.071 0.213 -8.244 1.00 0.00 C ATOM 946 C ALA A 143 5.958 -0.591 -7.551 1.00 0.00 C ATOM 947 O ALA A 143 5.551 -0.251 -6.454 1.00 0.00 O ATOM 948 CB ALA A 143 6.488 0.976 -9.439 1.00 0.00 C ATOM 0 H ALA A 143 8.472 -0.392 -9.676 1.00 0.00 H new ATOM 0 HA ALA A 143 7.469 0.893 -7.491 1.00 0.00 H new ATOM 0 HB1 ALA A 143 5.659 1.599 -9.104 1.00 0.00 H new ATOM 0 HB2 ALA A 143 7.260 1.607 -9.880 1.00 0.00 H new ATOM 0 HB3 ALA A 143 6.130 0.266 -10.185 1.00 0.00 H new ATOM 949 N ILE A 144 5.691 -1.777 -8.091 1.00 0.00 N ATOM 950 CA ILE A 144 4.601 -2.633 -7.566 1.00 0.00 C ATOM 951 C ILE A 144 5.073 -3.731 -6.606 1.00 0.00 C ATOM 952 O ILE A 144 4.286 -4.261 -5.817 1.00 0.00 O ATOM 953 CB ILE A 144 3.718 -3.185 -8.700 1.00 0.00 C ATOM 954 CG1 ILE A 144 4.460 -4.171 -9.613 1.00 0.00 C ATOM 955 CG2 ILE A 144 3.124 -2.062 -9.545 1.00 0.00 C ATOM 956 CD1 ILE A 144 3.890 -5.574 -9.423 1.00 0.00 C ATOM 0 H ILE A 144 6.199 -2.174 -8.881 1.00 0.00 H new ATOM 0 HA ILE A 144 3.982 -1.978 -6.954 1.00 0.00 H new ATOM 0 HB ILE A 144 2.914 -3.729 -8.204 1.00 0.00 H new ATOM 0 HG12 ILE A 144 4.359 -3.865 -10.654 1.00 0.00 H new ATOM 0 HG13 ILE A 144 5.525 -4.166 -9.381 1.00 0.00 H new ATOM 0 HG21 ILE A 144 2.507 -2.489 -10.335 1.00 0.00 H new ATOM 0 HG22 ILE A 144 2.512 -1.417 -8.915 1.00 0.00 H new ATOM 0 HG23 ILE A 144 3.929 -1.476 -9.989 1.00 0.00 H new ATOM 0 HD11 ILE A 144 4.418 -6.272 -10.072 1.00 0.00 H new ATOM 0 HD12 ILE A 144 4.014 -5.880 -8.384 1.00 0.00 H new ATOM 0 HD13 ILE A 144 2.830 -5.574 -9.677 1.00 0.00 H new ATOM 957 N LEU A 145 6.372 -3.969 -6.620 1.00 0.00 N ATOM 958 CA LEU A 145 7.046 -5.065 -5.913 1.00 0.00 C ATOM 959 C LEU A 145 7.220 -4.744 -4.420 1.00 0.00 C ATOM 960 O LEU A 145 8.162 -4.057 -3.999 1.00 0.00 O ATOM 961 CB LEU A 145 8.362 -5.374 -6.627 1.00 0.00 C ATOM 962 CG LEU A 145 8.101 -5.996 -8.020 1.00 0.00 C ATOM 963 CD1 LEU A 145 9.426 -6.181 -8.779 1.00 0.00 C ATOM 964 CD2 LEU A 145 7.368 -7.337 -7.950 1.00 0.00 C ATOM 0 H LEU A 145 7.022 -3.384 -7.144 1.00 0.00 H new ATOM 0 HA LEU A 145 6.431 -5.965 -5.940 1.00 0.00 H new ATOM 0 HB2 LEU A 145 8.945 -4.459 -6.736 1.00 0.00 H new ATOM 0 HB3 LEU A 145 8.956 -6.060 -6.023 1.00 0.00 H new ATOM 0 HG LEU A 145 7.454 -5.298 -8.551 1.00 0.00 H new ATOM 0 HD11 LEU A 145 9.227 -6.619 -9.757 1.00 0.00 H new ATOM 0 HD12 LEU A 145 9.910 -5.213 -8.907 1.00 0.00 H new ATOM 0 HD13 LEU A 145 10.081 -6.842 -8.212 1.00 0.00 H new ATOM 0 HD21 LEU A 145 7.215 -7.721 -8.959 1.00 0.00 H new ATOM 0 HD22 LEU A 145 7.964 -8.048 -7.377 1.00 0.00 H new ATOM 0 HD23 LEU A 145 6.402 -7.199 -7.464 1.00 0.00 H new ATOM 965 N PHE A 146 6.223 -5.175 -3.660 1.00 0.00 N ATOM 966 CA PHE A 146 6.112 -4.951 -2.210 1.00 0.00 C ATOM 967 C PHE A 146 6.075 -6.305 -1.499 1.00 0.00 C ATOM 968 O PHE A 146 5.663 -7.317 -2.042 1.00 0.00 O ATOM 969 CB PHE A 146 4.803 -4.225 -1.887 1.00 0.00 C ATOM 970 CG PHE A 146 4.724 -2.731 -2.237 1.00 0.00 C ATOM 971 CD1 PHE A 146 5.467 -2.147 -3.291 1.00 0.00 C ATOM 972 CD2 PHE A 146 3.889 -1.919 -1.429 1.00 0.00 C ATOM 973 CE1 PHE A 146 5.386 -0.756 -3.532 1.00 0.00 C ATOM 974 CE2 PHE A 146 3.796 -0.531 -1.665 1.00 0.00 C ATOM 975 CZ PHE A 146 4.549 0.034 -2.724 1.00 0.00 C ATOM 0 H PHE A 146 5.440 -5.708 -4.039 1.00 0.00 H new ATOM 0 HA PHE A 146 6.963 -4.354 -1.882 1.00 0.00 H new ATOM 0 HB2 PHE A 146 3.995 -4.737 -2.409 1.00 0.00 H new ATOM 0 HB3 PHE A 146 4.612 -4.332 -0.819 1.00 0.00 H new ATOM 0 HD1 PHE A 146 6.097 -2.765 -3.913 1.00 0.00 H new ATOM 0 HD2 PHE A 146 3.320 -2.366 -0.627 1.00 0.00 H new ATOM 0 HE1 PHE A 146 5.961 -0.305 -4.328 1.00 0.00 H new ATOM 0 HE2 PHE A 146 3.162 0.090 -1.049 1.00 0.00 H new ATOM 0 HZ PHE A 146 4.479 1.095 -2.915 1.00 0.00 H new ATOM 976 N LEU A 147 6.619 -6.284 -0.295 1.00 0.00 N ATOM 977 CA LEU A 147 6.809 -7.476 0.544 1.00 0.00 C ATOM 978 C LEU A 147 6.333 -7.194 1.973 1.00 0.00 C ATOM 979 O LEU A 147 6.909 -6.342 2.665 1.00 0.00 O ATOM 980 CB LEU A 147 8.303 -7.811 0.477 1.00 0.00 C ATOM 981 CG LEU A 147 8.681 -9.273 0.727 1.00 0.00 C ATOM 982 CD1 LEU A 147 8.744 -9.616 2.221 1.00 0.00 C ATOM 983 CD2 LEU A 147 7.823 -10.281 -0.055 1.00 0.00 C ATOM 0 H LEU A 147 6.951 -5.425 0.144 1.00 0.00 H new ATOM 0 HA LEU A 147 6.223 -8.326 0.196 1.00 0.00 H new ATOM 0 HB2 LEU A 147 8.674 -7.525 -0.507 1.00 0.00 H new ATOM 0 HB3 LEU A 147 8.826 -7.193 1.207 1.00 0.00 H new ATOM 0 HG LEU A 147 9.690 -9.373 0.328 1.00 0.00 H new ATOM 0 HD11 LEU A 147 9.016 -10.664 2.342 1.00 0.00 H new ATOM 0 HD12 LEU A 147 9.491 -8.989 2.707 1.00 0.00 H new ATOM 0 HD13 LEU A 147 7.770 -9.439 2.676 1.00 0.00 H new ATOM 0 HD21 LEU A 147 8.152 -11.294 0.175 1.00 0.00 H new ATOM 0 HD22 LEU A 147 6.777 -10.166 0.229 1.00 0.00 H new ATOM 0 HD23 LEU A 147 7.931 -10.099 -1.124 1.00 0.00 H new ATOM 984 N PRO A 148 5.205 -7.779 2.369 1.00 0.00 N ATOM 985 CA PRO A 148 4.715 -7.699 3.754 1.00 0.00 C ATOM 986 C PRO A 148 5.583 -8.531 4.698 1.00 0.00 C ATOM 987 O PRO A 148 5.943 -9.669 4.400 1.00 0.00 O ATOM 988 CB PRO A 148 3.278 -8.205 3.668 1.00 0.00 C ATOM 989 CG PRO A 148 3.271 -9.143 2.476 1.00 0.00 C ATOM 990 CD PRO A 148 4.233 -8.464 1.496 1.00 0.00 C ATOM 0 HA PRO A 148 4.759 -6.691 4.166 1.00 0.00 H new ATOM 0 HB2 PRO A 148 2.985 -8.723 4.581 1.00 0.00 H new ATOM 0 HB3 PRO A 148 2.576 -7.383 3.529 1.00 0.00 H new ATOM 0 HG2 PRO A 148 3.611 -10.143 2.747 1.00 0.00 H new ATOM 0 HG3 PRO A 148 2.272 -9.250 2.052 1.00 0.00 H new ATOM 0 HD2 PRO A 148 4.722 -9.191 0.848 1.00 0.00 H new ATOM 0 HD3 PRO A 148 3.712 -7.759 0.848 1.00 0.00 H new ATOM 991 N LEU A 149 6.035 -7.862 5.755 1.00 0.00 N ATOM 992 CA LEU A 149 6.624 -8.541 6.927 1.00 0.00 C ATOM 993 C LEU A 149 5.843 -8.230 8.205 1.00 0.00 C ATOM 994 O LEU A 149 6.067 -7.205 8.850 1.00 0.00 O ATOM 995 CB LEU A 149 8.148 -8.361 7.028 1.00 0.00 C ATOM 996 CG LEU A 149 8.664 -6.978 6.630 1.00 0.00 C ATOM 997 CD1 LEU A 149 9.387 -6.304 7.801 1.00 0.00 C ATOM 998 CD2 LEU A 149 9.612 -7.149 5.443 1.00 0.00 C ATOM 0 H LEU A 149 6.009 -6.845 5.833 1.00 0.00 H new ATOM 0 HA LEU A 149 6.512 -9.615 6.779 1.00 0.00 H new ATOM 0 HB2 LEU A 149 8.456 -8.565 8.054 1.00 0.00 H new ATOM 0 HB3 LEU A 149 8.629 -9.107 6.396 1.00 0.00 H new ATOM 0 HG LEU A 149 7.826 -6.338 6.355 1.00 0.00 H new ATOM 0 HD11 LEU A 149 9.744 -5.322 7.491 1.00 0.00 H new ATOM 0 HD12 LEU A 149 8.698 -6.192 8.638 1.00 0.00 H new ATOM 0 HD13 LEU A 149 10.234 -6.918 8.108 1.00 0.00 H new ATOM 0 HD21 LEU A 149 9.994 -6.174 5.139 1.00 0.00 H new ATOM 0 HD22 LEU A 149 10.444 -7.792 5.731 1.00 0.00 H new ATOM 0 HD23 LEU A 149 9.074 -7.603 4.611 1.00 0.00 H new ATOM 999 N PRO A 150 4.791 -9.021 8.458 1.00 0.00 N ATOM 1000 CA PRO A 150 3.989 -8.822 9.664 1.00 0.00 C ATOM 1001 C PRO A 150 4.476 -9.681 10.825 1.00 0.00 C ATOM 1002 O PRO A 150 4.893 -10.836 10.688 1.00 0.00 O ATOM 1003 CB PRO A 150 2.565 -9.095 9.212 1.00 0.00 C ATOM 1004 CG PRO A 150 2.728 -10.207 8.177 1.00 0.00 C ATOM 1005 CD PRO A 150 4.058 -9.885 7.497 1.00 0.00 C ATOM 0 HA PRO A 150 4.068 -7.816 10.077 1.00 0.00 H new ATOM 0 HB2 PRO A 150 1.933 -9.409 10.043 1.00 0.00 H new ATOM 0 HB3 PRO A 150 2.104 -8.207 8.779 1.00 0.00 H new ATOM 0 HG2 PRO A 150 2.747 -11.190 8.647 1.00 0.00 H new ATOM 0 HG3 PRO A 150 1.905 -10.211 7.462 1.00 0.00 H new ATOM 0 HD2 PRO A 150 4.618 -10.794 7.279 1.00 0.00 H new ATOM 0 HD3 PRO A 150 3.901 -9.372 6.548 1.00 0.00 H new