USER MOD reduce.3.24.130724 H: found=0, std=0, add=1234, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1234 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 56 LYS NZ :NH3+ 179:sc= 1.27 (180deg=0) USER MOD Set 1.2: B 75 ASN : amide:sc= 1.44 K(o=2.7,f=-14!) USER MOD Set 2.1: B 58 THR OG1 : rot 180:sc= 0.00223 USER MOD Set 2.2: B 59 SER OG : rot 180:sc= 0.19 USER MOD Set 3.1: B 13 MET CE :methyl -118:sc= -0.0175 (180deg=0) USER MOD Set 3.2: B 14 THR OG1 : rot 180:sc= 0.136 USER MOD Set 4.1: A 75 ASN : amide:sc= 0.916 K(o=0.92,f=-0.91) USER MOD Set 4.2: B 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 65 ASN : amide:sc= 2.02 K(o=4.4,f=-6.6!) USER MOD Set 5.2: B 45 LYS NZ :NH3+ -179:sc= 2.39 (180deg=1.05) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 142:sc= 0.0703 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0234 USER MOD Single : A 5 LYS NZ :NH3+ -124:sc= 0.312 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.0654 X(o=-0.065,f=0) USER MOD Single : A 8 THR OG1 : rot -94:sc= 1.36 USER MOD Single : A 9 SER OG : rot 180:sc= 0.0488 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -143:sc= 1.25 (180deg=-0.151) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot -57:sc= 0.793 USER MOD Single : A 18 ASN : amide:sc= -0.381 K(o=-0.38,f=-3.1!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0.0198 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -0.771 K(o=-0.77,f=-5.9!) USER MOD Single : A 40 ASN : amide:sc= -0.0238 X(o=-0.024,f=-0.27) USER MOD Single : A 45 LYS NZ :NH3+ 148:sc= 1.31 (180deg=-0.37) USER MOD Single : A 46 HIS : no HD1:sc= -0.0146 X(o=-0.015,f=-0.015) USER MOD Single : A 47 THR OG1 : rot 71:sc= 0.544 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 CYS SG : rot 105:sc= 1.16 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0.0234 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.105 USER MOD Single : A 66 GLN : amide:sc= 1.23 K(o=1.2,f=-0.17) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 73 LYS NZ :NH3+ 173:sc= 1.19 (180deg=1.02) USER MOD Single : B 1 MET CE :methyl -169:sc= 0 (180deg=-0.161) USER MOD Single : B 1 MET N :NH3+ 163:sc= 0.0102 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= 0 USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 HIS : no HD1:sc= -0.196 X(o=-0.2,f=-0.012) USER MOD Single : B 8 THR OG1 : rot 180:sc= 0.0572 USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 ASN : amide:sc= 0.251 K(o=0.25,f=-7.4!) USER MOD Single : B 26 THR OG1 : rot 180:sc= 0 USER MOD Single : B 30 SER OG : rot 180:sc= 0 USER MOD Single : B 31 SER OG : rot 180:sc= 0.122 USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 35 LYS NZ :NH3+ -164:sc= 1.23 (180deg=0.865) USER MOD Single : B 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 40 ASN : amide:sc= -0.033 X(o=-0.033,f=-0.023) USER MOD Single : B 46 HIS : no HE2:sc= 1.19 K(o=1.2,f=-4.6!) USER MOD Single : B 47 THR OG1 : rot 88:sc= 1.23 USER MOD Single : B 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 53 CYS SG : rot -71:sc= 0.217 USER MOD Single : B 61 THR OG1 : rot 180:sc= 0.154 USER MOD Single : B 65 ASN : amide:sc= -0.076 K(o=-0.076,f=-0.62) USER MOD Single : B 66 GLN : amide:sc= 0.783 K(o=0.78,f=-3!) USER MOD Single : B 70 ASN : amide:sc= 0.561 K(o=0.56,f=0) USER MOD Single : B 73 LYS NZ :NH3+ -154:sc= 1.28 (180deg=0.507) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 25.127 86.581 11.131 1.00 52.69 N ATOM 2 CA MET A 1 23.848 85.881 11.376 1.00 52.68 C ATOM 3 C MET A 1 23.290 86.261 12.741 1.00 52.43 C ATOM 4 O MET A 1 24.024 86.733 13.610 1.00 52.55 O ATOM 5 CB MET A 1 24.090 84.373 11.307 1.00 52.98 C ATOM 6 CG MET A 1 23.623 83.735 10.009 1.00 53.17 C ATOM 7 SD MET A 1 24.969 82.940 9.113 1.00 53.83 S ATOM 8 CE MET A 1 24.101 81.584 8.326 1.00 54.20 C ATOM 0 H1 MET A 1 25.781 85.944 10.633 1.00 52.69 H new ATOM 0 H2 MET A 1 24.955 87.425 10.548 1.00 52.69 H new ATOM 0 H3 MET A 1 25.546 86.867 12.039 1.00 52.69 H new ATOM 0 HA MET A 1 23.121 86.172 10.618 1.00 52.68 H new ATOM 0 HB2 MET A 1 25.155 84.179 11.433 1.00 52.98 H new ATOM 0 HB3 MET A 1 23.578 83.894 12.141 1.00 52.98 H new ATOM 0 HG2 MET A 1 22.850 82.998 10.227 1.00 53.17 H new ATOM 0 HG3 MET A 1 23.168 84.497 9.376 1.00 53.17 H new ATOM 0 HE1 MET A 1 24.803 80.998 7.733 1.00 54.20 H new ATOM 0 HE2 MET A 1 23.651 80.949 9.089 1.00 54.20 H new ATOM 0 HE3 MET A 1 23.320 81.980 7.677 1.00 54.20 H new ATOM 20 N SER A 2 21.993 86.065 12.927 1.00 52.13 N ATOM 21 CA SER A 2 21.344 86.400 14.184 1.00 51.92 C ATOM 22 C SER A 2 21.553 85.289 15.211 1.00 51.30 C ATOM 23 O SER A 2 20.791 84.322 15.251 1.00 50.91 O ATOM 24 CB SER A 2 19.847 86.638 13.954 1.00 51.94 C ATOM 25 OG SER A 2 19.564 86.845 12.580 1.00 52.25 O ATOM 0 H SER A 2 21.369 85.675 12.221 1.00 52.13 H new ATOM 0 HA SER A 2 21.792 87.314 14.574 1.00 51.92 H new ATOM 0 HB2 SER A 2 19.280 85.782 14.319 1.00 51.94 H new ATOM 0 HB3 SER A 2 19.522 87.505 14.529 1.00 51.94 H new ATOM 0 HG SER A 2 18.602 86.992 12.463 1.00 52.25 H new ATOM 31 N LEU A 3 22.626 85.421 15.996 1.00 51.24 N ATOM 32 CA LEU A 3 22.993 84.451 17.035 1.00 50.73 C ATOM 33 C LEU A 3 23.549 83.157 16.441 1.00 49.93 C ATOM 34 O LEU A 3 24.584 82.665 16.890 1.00 49.72 O ATOM 35 CB LEU A 3 21.806 84.136 17.956 1.00 50.73 C ATOM 36 CG LEU A 3 21.142 85.351 18.605 1.00 51.38 C ATOM 37 CD1 LEU A 3 19.670 85.073 18.859 1.00 51.29 C ATOM 38 CD2 LEU A 3 21.846 85.722 19.902 1.00 51.81 C ATOM 0 H LEU A 3 23.270 86.209 15.929 1.00 51.24 H new ATOM 0 HA LEU A 3 23.780 84.918 17.627 1.00 50.73 H new ATOM 0 HB2 LEU A 3 21.054 83.596 17.381 1.00 50.73 H new ATOM 0 HB3 LEU A 3 22.147 83.465 18.744 1.00 50.73 H new ATOM 0 HG LEU A 3 21.225 86.195 17.920 1.00 51.38 H new ATOM 0 HD11 LEU A 3 19.209 85.946 19.321 1.00 51.29 H new ATOM 0 HD12 LEU A 3 19.172 84.858 17.914 1.00 51.29 H new ATOM 0 HD13 LEU A 3 19.571 84.215 19.525 1.00 51.29 H new ATOM 0 HD21 LEU A 3 21.357 86.589 20.346 1.00 51.81 H new ATOM 0 HD22 LEU A 3 21.797 84.883 20.596 1.00 51.81 H new ATOM 0 HD23 LEU A 3 22.889 85.961 19.694 1.00 51.81 H new ATOM 50 N GLU A 4 22.821 82.583 15.479 1.00 49.54 N ATOM 51 CA GLU A 4 23.182 81.308 14.849 1.00 48.79 C ATOM 52 C GLU A 4 22.948 80.145 15.809 1.00 48.08 C ATOM 53 O GLU A 4 23.277 78.998 15.505 1.00 47.64 O ATOM 54 CB GLU A 4 24.635 81.309 14.363 1.00 48.81 C ATOM 55 CG GLU A 4 24.773 81.279 12.849 1.00 49.11 C ATOM 56 CD GLU A 4 24.147 80.046 12.228 1.00 49.00 C ATOM 57 OE1 GLU A 4 22.912 80.027 12.050 1.00 48.89 O ATOM 58 OE2 GLU A 4 24.883 79.083 11.927 1.00 49.07 O ATOM 0 H GLU A 4 21.961 82.991 15.113 1.00 49.54 H new ATOM 0 HA GLU A 4 22.538 81.182 13.979 1.00 48.79 H new ATOM 0 HB2 GLU A 4 25.137 82.197 14.747 1.00 48.81 H new ATOM 0 HB3 GLU A 4 25.150 80.445 14.783 1.00 48.81 H new ATOM 0 HG2 GLU A 4 24.306 82.169 12.428 1.00 49.11 H new ATOM 0 HG3 GLU A 4 25.830 81.318 12.584 1.00 49.11 H new ATOM 65 N LYS A 5 22.341 80.444 16.948 1.00 48.00 N ATOM 66 CA LYS A 5 22.027 79.430 17.939 1.00 47.39 C ATOM 67 C LYS A 5 20.706 79.756 18.621 1.00 46.83 C ATOM 68 O LYS A 5 20.436 79.287 19.725 1.00 46.53 O ATOM 69 CB LYS A 5 23.141 79.332 18.985 1.00 47.60 C ATOM 70 CG LYS A 5 24.282 78.415 18.580 1.00 48.09 C ATOM 71 CD LYS A 5 25.610 78.911 19.122 1.00 48.48 C ATOM 72 CE LYS A 5 26.188 80.015 18.253 1.00 49.07 C ATOM 73 NZ LYS A 5 26.286 81.305 18.985 1.00 49.26 N ATOM 0 H LYS A 5 22.055 81.388 17.208 1.00 48.00 H new ATOM 0 HA LYS A 5 21.941 78.469 17.431 1.00 47.39 H new ATOM 0 HB2 LYS A 5 23.538 80.329 19.174 1.00 47.60 H new ATOM 0 HB3 LYS A 5 22.716 78.975 19.923 1.00 47.60 H new ATOM 0 HG2 LYS A 5 24.090 77.408 18.949 1.00 48.09 H new ATOM 0 HG3 LYS A 5 24.332 78.352 17.493 1.00 48.09 H new ATOM 0 HD2 LYS A 5 25.474 79.280 20.139 1.00 48.48 H new ATOM 0 HD3 LYS A 5 26.315 78.082 19.175 1.00 48.48 H new ATOM 0 HE2 LYS A 5 27.177 79.721 17.903 1.00 49.07 H new ATOM 0 HE3 LYS A 5 25.563 80.146 17.370 1.00 49.07 H new ATOM 0 HZ1 LYS A 5 25.770 82.041 18.462 1.00 49.26 H new ATOM 0 HZ2 LYS A 5 25.871 81.199 19.933 1.00 49.26 H new ATOM 0 HZ3 LYS A 5 27.285 81.579 19.074 1.00 49.26 H new ATOM 87 N ALA A 6 19.879 80.552 17.953 1.00 46.75 N ATOM 88 CA ALA A 6 18.581 80.924 18.496 1.00 46.29 C ATOM 89 C ALA A 6 17.657 79.716 18.535 1.00 45.95 C ATOM 90 O ALA A 6 16.954 79.483 19.521 1.00 46.32 O ATOM 91 CB ALA A 6 17.962 82.042 17.675 1.00 46.58 C ATOM 0 H ALA A 6 20.085 80.951 17.037 1.00 46.75 H new ATOM 0 HA ALA A 6 18.722 81.284 19.515 1.00 46.29 H new ATOM 0 HB1 ALA A 6 16.992 82.308 18.095 1.00 46.58 H new ATOM 0 HB2 ALA A 6 18.617 82.913 17.695 1.00 46.58 H new ATOM 0 HB3 ALA A 6 17.833 81.709 16.645 1.00 46.58 H new ATOM 97 N HIS A 7 17.717 78.908 17.487 1.00 45.30 N ATOM 98 CA HIS A 7 16.932 77.687 17.410 1.00 44.97 C ATOM 99 C HIS A 7 17.776 76.490 17.829 1.00 44.39 C ATOM 100 O HIS A 7 17.928 75.535 17.072 1.00 43.96 O ATOM 101 CB HIS A 7 16.408 77.484 15.984 1.00 44.96 C ATOM 102 CG HIS A 7 14.956 77.122 15.917 1.00 45.01 C ATOM 103 ND1 HIS A 7 14.126 77.533 14.893 1.00 44.94 N ATOM 104 CD2 HIS A 7 14.182 76.381 16.748 1.00 45.18 C ATOM 105 CE1 HIS A 7 12.910 77.062 15.098 1.00 45.06 C ATOM 106 NE2 HIS A 7 12.919 76.361 16.215 1.00 45.21 N ATOM 0 H HIS A 7 18.307 79.079 16.672 1.00 45.30 H new ATOM 0 HA HIS A 7 16.084 77.775 18.089 1.00 44.97 H new ATOM 0 HB2 HIS A 7 16.571 78.399 15.414 1.00 44.96 H new ATOM 0 HB3 HIS A 7 16.991 76.699 15.501 1.00 44.96 H new ATOM 0 HD2 HIS A 7 14.501 75.897 17.659 1.00 45.18 H new ATOM 0 HE1 HIS A 7 12.054 77.223 14.460 1.00 45.06 H new ATOM 0 HE2 HIS A 7 12.115 75.881 16.618 1.00 45.21 H new ATOM 115 N THR A 8 18.345 76.560 19.022 1.00 44.44 N ATOM 116 CA THR A 8 19.183 75.485 19.528 1.00 43.96 C ATOM 117 C THR A 8 18.329 74.334 20.038 1.00 43.67 C ATOM 118 O THR A 8 17.204 74.545 20.489 1.00 43.66 O ATOM 119 CB THR A 8 20.086 75.985 20.668 1.00 44.29 C ATOM 120 OG1 THR A 8 19.612 77.252 21.145 1.00 44.86 O ATOM 121 CG2 THR A 8 21.524 76.119 20.192 1.00 43.97 C ATOM 0 H THR A 8 18.242 77.351 19.658 1.00 44.44 H new ATOM 0 HA THR A 8 19.806 75.137 18.704 1.00 43.96 H new ATOM 0 HB THR A 8 20.054 75.258 21.480 1.00 44.29 H new ATOM 0 HG1 THR A 8 20.091 77.974 20.687 1.00 44.86 H new ATOM 0 HG21 THR A 8 22.147 76.474 21.013 1.00 43.97 H new ATOM 0 HG22 THR A 8 21.887 75.149 19.854 1.00 43.97 H new ATOM 0 HG23 THR A 8 21.570 76.831 19.368 1.00 43.97 H new ATOM 129 N SER A 9 18.862 73.126 19.969 1.00 43.50 N ATOM 130 CA SER A 9 18.153 71.953 20.447 1.00 43.27 C ATOM 131 C SER A 9 18.168 71.904 21.974 1.00 42.89 C ATOM 132 O SER A 9 19.152 71.476 22.583 1.00 42.78 O ATOM 133 CB SER A 9 18.801 70.698 19.862 1.00 43.30 C ATOM 134 OG SER A 9 19.540 71.010 18.690 1.00 43.56 O ATOM 0 H SER A 9 19.787 72.932 19.585 1.00 43.50 H new ATOM 0 HA SER A 9 17.114 72.004 20.123 1.00 43.27 H new ATOM 0 HB2 SER A 9 19.460 70.245 20.603 1.00 43.30 H new ATOM 0 HB3 SER A 9 18.032 69.962 19.627 1.00 43.30 H new ATOM 0 HG SER A 9 19.948 70.193 18.333 1.00 43.56 H new ATOM 140 N VAL A 10 17.109 72.407 22.595 1.00 42.75 N ATOM 141 CA VAL A 10 17.031 72.460 24.046 1.00 42.43 C ATOM 142 C VAL A 10 16.002 71.462 24.558 1.00 41.60 C ATOM 143 O VAL A 10 14.801 71.631 24.337 1.00 41.43 O ATOM 144 CB VAL A 10 16.675 73.874 24.551 1.00 42.78 C ATOM 145 CG1 VAL A 10 16.596 73.902 26.069 1.00 43.09 C ATOM 146 CG2 VAL A 10 17.694 74.886 24.051 1.00 43.59 C ATOM 0 H VAL A 10 16.292 72.784 22.114 1.00 42.75 H new ATOM 0 HA VAL A 10 18.017 72.201 24.432 1.00 42.43 H new ATOM 0 HB VAL A 10 15.695 74.142 24.156 1.00 42.78 H new ATOM 0 HG11 VAL A 10 16.344 74.909 26.402 1.00 43.09 H new ATOM 0 HG12 VAL A 10 15.828 73.205 26.406 1.00 43.09 H new ATOM 0 HG13 VAL A 10 17.559 73.612 26.489 1.00 43.09 H new ATOM 0 HG21 VAL A 10 17.430 75.879 24.415 1.00 43.59 H new ATOM 0 HG22 VAL A 10 18.684 74.617 24.418 1.00 43.59 H new ATOM 0 HG23 VAL A 10 17.699 74.889 22.961 1.00 43.59 H new ATOM 156 N LYS A 11 16.501 70.387 25.171 1.00 41.14 N ATOM 157 CA LYS A 11 15.662 69.293 25.669 1.00 40.38 C ATOM 158 C LYS A 11 14.933 68.607 24.519 1.00 39.65 C ATOM 159 O LYS A 11 13.913 67.951 24.718 1.00 39.62 O ATOM 160 CB LYS A 11 14.652 69.798 26.706 1.00 40.21 C ATOM 161 CG LYS A 11 15.288 70.434 27.931 1.00 40.53 C ATOM 162 CD LYS A 11 14.435 71.571 28.466 1.00 40.45 C ATOM 163 CE LYS A 11 13.798 71.214 29.800 1.00 40.17 C ATOM 164 NZ LYS A 11 13.361 72.424 30.547 1.00 40.27 N ATOM 0 H LYS A 11 17.498 70.249 25.337 1.00 41.14 H new ATOM 0 HA LYS A 11 16.316 68.568 26.153 1.00 40.38 H new ATOM 0 HB2 LYS A 11 13.994 70.526 26.232 1.00 40.21 H new ATOM 0 HB3 LYS A 11 14.027 68.964 27.026 1.00 40.21 H new ATOM 0 HG2 LYS A 11 15.422 69.680 28.707 1.00 40.53 H new ATOM 0 HG3 LYS A 11 16.279 70.809 27.676 1.00 40.53 H new ATOM 0 HD2 LYS A 11 15.050 72.464 28.583 1.00 40.45 H new ATOM 0 HD3 LYS A 11 13.656 71.813 27.743 1.00 40.45 H new ATOM 0 HE2 LYS A 11 12.941 70.563 29.630 1.00 40.17 H new ATOM 0 HE3 LYS A 11 14.511 70.652 30.404 1.00 40.17 H new ATOM 0 HZ1 LYS A 11 12.932 72.138 31.450 1.00 40.27 H new ATOM 0 HZ2 LYS A 11 14.183 73.034 30.732 1.00 40.27 H new ATOM 0 HZ3 LYS A 11 12.662 72.947 29.982 1.00 40.27 H new ATOM 178 N LYS A 12 15.457 68.782 23.313 1.00 39.13 N ATOM 179 CA LYS A 12 14.845 68.233 22.114 1.00 38.46 C ATOM 180 C LYS A 12 15.856 68.197 20.974 1.00 37.88 C ATOM 181 O LYS A 12 16.027 69.180 20.254 1.00 37.85 O ATOM 182 CB LYS A 12 13.634 69.081 21.706 1.00 38.37 C ATOM 183 CG LYS A 12 12.368 68.274 21.483 1.00 38.40 C ATOM 184 CD LYS A 12 11.448 68.336 22.690 1.00 38.58 C ATOM 185 CE LYS A 12 10.941 66.958 23.069 1.00 38.68 C ATOM 186 NZ LYS A 12 11.698 66.379 24.206 1.00 38.69 N ATOM 0 H LYS A 12 16.315 69.306 23.140 1.00 39.13 H new ATOM 0 HA LYS A 12 14.515 67.216 22.326 1.00 38.46 H new ATOM 0 HB2 LYS A 12 13.447 69.826 22.479 1.00 38.37 H new ATOM 0 HB3 LYS A 12 13.874 69.624 20.791 1.00 38.37 H new ATOM 0 HG2 LYS A 12 11.844 68.652 20.605 1.00 38.40 H new ATOM 0 HG3 LYS A 12 12.629 67.236 21.276 1.00 38.40 H new ATOM 0 HD2 LYS A 12 11.981 68.774 23.534 1.00 38.58 H new ATOM 0 HD3 LYS A 12 10.603 68.989 22.473 1.00 38.58 H new ATOM 0 HE2 LYS A 12 9.885 67.020 23.331 1.00 38.68 H new ATOM 0 HE3 LYS A 12 11.017 66.294 22.208 1.00 38.68 H new ATOM 0 HZ1 LYS A 12 11.812 65.355 24.062 1.00 38.69 H new ATOM 0 HZ2 LYS A 12 12.635 66.827 24.263 1.00 38.69 H new ATOM 0 HZ3 LYS A 12 11.178 66.548 25.091 1.00 38.69 H new ATOM 200 N MET A 13 16.545 67.078 20.830 1.00 37.50 N ATOM 201 CA MET A 13 17.541 66.928 19.778 1.00 36.98 C ATOM 202 C MET A 13 17.081 65.896 18.758 1.00 36.15 C ATOM 203 O MET A 13 17.052 66.162 17.557 1.00 35.91 O ATOM 204 CB MET A 13 18.888 66.515 20.368 1.00 37.36 C ATOM 205 CG MET A 13 20.058 66.715 19.416 1.00 37.17 C ATOM 206 SD MET A 13 20.390 65.257 18.403 1.00 37.20 S ATOM 207 CE MET A 13 21.958 65.713 17.668 1.00 36.92 C ATOM 0 H MET A 13 16.434 66.259 21.427 1.00 37.50 H new ATOM 0 HA MET A 13 17.660 67.890 19.279 1.00 36.98 H new ATOM 0 HB2 MET A 13 19.068 67.089 21.277 1.00 37.36 H new ATOM 0 HB3 MET A 13 18.842 65.465 20.658 1.00 37.36 H new ATOM 0 HG2 MET A 13 19.851 67.565 18.765 1.00 37.17 H new ATOM 0 HG3 MET A 13 20.950 66.964 19.991 1.00 37.17 H new ATOM 0 HE1 MET A 13 22.299 64.912 17.012 1.00 36.92 H new ATOM 0 HE2 MET A 13 21.836 66.629 17.090 1.00 36.92 H new ATOM 0 HE3 MET A 13 22.695 65.876 18.455 1.00 36.92 H new ATOM 217 N THR A 14 16.687 64.734 19.245 1.00 35.77 N ATOM 218 CA THR A 14 16.190 63.679 18.383 1.00 35.01 C ATOM 219 C THR A 14 14.789 63.264 18.812 1.00 34.25 C ATOM 220 O THR A 14 14.496 63.194 20.004 1.00 34.26 O ATOM 221 CB THR A 14 17.127 62.462 18.404 1.00 35.04 C ATOM 222 OG1 THR A 14 18.377 62.808 19.024 1.00 35.67 O ATOM 223 CG2 THR A 14 17.380 61.951 16.993 1.00 35.17 C ATOM 0 H THR A 14 16.702 64.497 20.237 1.00 35.77 H new ATOM 0 HA THR A 14 16.153 64.065 17.364 1.00 35.01 H new ATOM 0 HB THR A 14 16.645 61.673 18.981 1.00 35.04 H new ATOM 0 HG1 THR A 14 18.780 63.564 18.548 1.00 35.67 H new ATOM 0 HG21 THR A 14 18.046 61.089 17.032 1.00 35.17 H new ATOM 0 HG22 THR A 14 16.434 61.658 16.537 1.00 35.17 H new ATOM 0 HG23 THR A 14 17.841 62.739 16.398 1.00 35.17 H new ATOM 231 N PHE A 15 13.897 63.124 17.847 1.00 33.64 N ATOM 232 CA PHE A 15 12.494 62.865 18.142 1.00 32.92 C ATOM 233 C PHE A 15 12.062 61.505 17.607 1.00 32.10 C ATOM 234 O PHE A 15 11.100 60.908 18.094 1.00 31.56 O ATOM 235 CB PHE A 15 11.613 63.973 17.547 1.00 32.71 C ATOM 236 CG PHE A 15 12.329 65.287 17.384 1.00 32.75 C ATOM 237 CD1 PHE A 15 12.447 66.165 18.451 1.00 32.63 C ATOM 238 CD2 PHE A 15 12.870 65.649 16.162 1.00 32.99 C ATOM 239 CE1 PHE A 15 13.093 67.375 18.301 1.00 32.74 C ATOM 240 CE2 PHE A 15 13.518 66.859 16.008 1.00 33.10 C ATOM 241 CZ PHE A 15 13.675 67.700 17.087 1.00 32.99 C ATOM 0 H PHE A 15 14.116 63.185 16.853 1.00 33.64 H new ATOM 0 HA PHE A 15 12.372 62.857 19.225 1.00 32.92 H new ATOM 0 HB2 PHE A 15 11.241 63.648 16.575 1.00 32.71 H new ATOM 0 HB3 PHE A 15 10.744 64.119 18.188 1.00 32.71 H new ATOM 0 HD1 PHE A 15 12.028 65.899 19.410 1.00 32.63 H new ATOM 0 HD2 PHE A 15 12.784 64.978 15.320 1.00 32.99 H new ATOM 0 HE1 PHE A 15 13.145 68.067 19.128 1.00 32.74 H new ATOM 0 HE2 PHE A 15 13.902 67.146 15.040 1.00 33.10 H new ATOM 0 HZ PHE A 15 14.249 68.609 16.987 1.00 32.99 H new ATOM 251 N GLY A 16 12.757 61.035 16.585 1.00 32.07 N ATOM 252 CA GLY A 16 12.412 59.764 15.982 1.00 31.38 C ATOM 253 C GLY A 16 11.884 59.931 14.575 1.00 30.74 C ATOM 254 O GLY A 16 10.699 59.707 14.312 1.00 30.29 O ATOM 0 H GLY A 16 13.554 61.510 16.161 1.00 32.07 H new ATOM 0 HA2 GLY A 16 13.291 59.120 15.966 1.00 31.38 H new ATOM 0 HA3 GLY A 16 11.662 59.264 16.594 1.00 31.38 H new ATOM 258 N GLU A 17 12.763 60.324 13.668 1.00 30.74 N ATOM 259 CA GLU A 17 12.397 60.512 12.274 1.00 30.20 C ATOM 260 C GLU A 17 13.211 59.572 11.392 1.00 29.71 C ATOM 261 O GLU A 17 13.395 59.820 10.201 1.00 29.63 O ATOM 262 CB GLU A 17 12.635 61.966 11.853 1.00 30.52 C ATOM 263 CG GLU A 17 11.918 62.982 12.728 1.00 30.95 C ATOM 264 CD GLU A 17 12.663 64.299 12.831 1.00 31.17 C ATOM 265 OE1 GLU A 17 13.898 64.272 13.030 1.00 31.29 O ATOM 266 OE2 GLU A 17 12.020 65.365 12.711 1.00 31.28 O ATOM 0 H GLU A 17 13.742 60.520 13.875 1.00 30.74 H new ATOM 0 HA GLU A 17 11.338 60.284 12.155 1.00 30.20 H new ATOM 0 HB2 GLU A 17 13.705 62.171 11.876 1.00 30.52 H new ATOM 0 HB3 GLU A 17 12.308 62.094 10.821 1.00 30.52 H new ATOM 0 HG2 GLU A 17 10.922 63.164 12.324 1.00 30.95 H new ATOM 0 HG3 GLU A 17 11.786 62.566 13.727 1.00 30.95 H new ATOM 273 N ASN A 18 13.702 58.495 11.991 1.00 29.45 N ATOM 274 CA ASN A 18 14.507 57.517 11.270 1.00 29.03 C ATOM 275 C ASN A 18 13.607 56.525 10.550 1.00 28.24 C ATOM 276 O ASN A 18 13.774 56.286 9.357 1.00 28.03 O ATOM 277 CB ASN A 18 15.444 56.780 12.231 1.00 29.10 C ATOM 278 CG ASN A 18 16.878 56.727 11.730 1.00 28.93 C ATOM 279 OD1 ASN A 18 17.214 57.317 10.702 1.00 28.81 O ATOM 280 ND2 ASN A 18 17.736 56.029 12.457 1.00 29.02 N ATOM 0 H ASN A 18 13.557 58.276 12.977 1.00 29.45 H new ATOM 0 HA ASN A 18 15.112 58.043 10.532 1.00 29.03 H new ATOM 0 HB2 ASN A 18 15.421 57.273 13.203 1.00 29.10 H new ATOM 0 HB3 ASN A 18 15.078 55.764 12.380 1.00 29.10 H new ATOM 0 HD21 ASN A 18 18.713 55.966 12.172 1.00 29.02 H new ATOM 0 HD22 ASN A 18 17.420 55.554 13.302 1.00 29.02 H new ATOM 287 N ARG A 19 12.620 56.004 11.282 1.00 27.89 N ATOM 288 CA ARG A 19 11.628 55.071 10.739 1.00 27.19 C ATOM 289 C ARG A 19 12.263 53.749 10.312 1.00 26.47 C ATOM 290 O ARG A 19 12.988 53.682 9.320 1.00 26.25 O ATOM 291 CB ARG A 19 10.877 55.700 9.559 1.00 27.23 C ATOM 292 CG ARG A 19 9.395 55.360 9.528 1.00 27.00 C ATOM 293 CD ARG A 19 8.562 56.412 10.242 1.00 27.20 C ATOM 294 NE ARG A 19 8.754 56.374 11.693 1.00 27.45 N ATOM 295 CZ ARG A 19 9.267 57.375 12.407 1.00 27.94 C ATOM 296 NH1 ARG A 19 9.614 58.513 11.816 1.00 28.23 N ATOM 297 NH2 ARG A 19 9.437 57.238 13.716 1.00 28.23 N ATOM 0 H ARG A 19 12.485 56.217 12.270 1.00 27.89 H new ATOM 0 HA ARG A 19 10.918 54.858 11.538 1.00 27.19 H new ATOM 0 HB2 ARG A 19 10.992 56.783 9.602 1.00 27.23 H new ATOM 0 HB3 ARG A 19 11.337 55.368 8.628 1.00 27.23 H new ATOM 0 HG2 ARG A 19 9.063 55.273 8.493 1.00 27.00 H new ATOM 0 HG3 ARG A 19 9.234 54.389 9.997 1.00 27.00 H new ATOM 0 HD2 ARG A 19 8.828 57.400 9.867 1.00 27.20 H new ATOM 0 HD3 ARG A 19 7.508 56.257 10.012 1.00 27.20 H new ATOM 0 HE ARG A 19 8.477 55.527 12.189 1.00 27.45 H new ATOM 0 HH11 ARG A 19 9.488 58.624 10.810 1.00 28.23 H new ATOM 0 HH12 ARG A 19 10.006 59.276 12.368 1.00 28.23 H new ATOM 0 HH21 ARG A 19 9.175 56.366 14.176 1.00 28.23 H new ATOM 0 HH22 ARG A 19 9.830 58.005 14.262 1.00 28.23 H new ATOM 311 N ASP A 20 11.904 52.679 11.007 1.00 26.17 N ATOM 312 CA ASP A 20 12.369 51.346 10.651 1.00 25.54 C ATOM 313 C ASP A 20 11.205 50.523 10.115 1.00 24.65 C ATOM 314 O ASP A 20 10.793 49.535 10.721 1.00 24.53 O ATOM 315 CB ASP A 20 12.995 50.647 11.862 1.00 26.03 C ATOM 316 CG ASP A 20 13.990 49.575 11.464 1.00 25.70 C ATOM 317 OD1 ASP A 20 15.077 49.921 10.946 1.00 25.72 O ATOM 318 OD2 ASP A 20 13.682 48.378 11.644 1.00 25.48 O ATOM 0 H ASP A 20 11.291 52.708 11.822 1.00 26.17 H new ATOM 0 HA ASP A 20 13.132 51.438 9.878 1.00 25.54 H new ATOM 0 HB2 ASP A 20 13.494 51.388 12.487 1.00 26.03 H new ATOM 0 HB3 ASP A 20 12.206 50.199 12.467 1.00 26.03 H new ATOM 323 N LEU A 21 10.626 50.989 9.020 1.00 24.13 N ATOM 324 CA LEU A 21 9.471 50.331 8.433 1.00 23.35 C ATOM 325 C LEU A 21 9.891 49.483 7.241 1.00 22.33 C ATOM 326 O LEU A 21 10.032 49.984 6.126 1.00 21.99 O ATOM 327 CB LEU A 21 8.426 51.364 8.007 1.00 23.63 C ATOM 328 CG LEU A 21 7.106 51.306 8.779 1.00 23.70 C ATOM 329 CD1 LEU A 21 7.322 51.652 10.242 1.00 24.80 C ATOM 330 CD2 LEU A 21 6.082 52.239 8.156 1.00 23.44 C ATOM 0 H LEU A 21 10.938 51.821 8.520 1.00 24.13 H new ATOM 0 HA LEU A 21 9.028 49.678 9.185 1.00 23.35 H new ATOM 0 HB2 LEU A 21 8.854 52.360 8.123 1.00 23.63 H new ATOM 0 HB3 LEU A 21 8.215 51.229 6.946 1.00 23.63 H new ATOM 0 HG LEU A 21 6.723 50.287 8.723 1.00 23.70 H new ATOM 0 HD11 LEU A 21 6.370 51.604 10.771 1.00 24.80 H new ATOM 0 HD12 LEU A 21 8.020 50.941 10.685 1.00 24.80 H new ATOM 0 HD13 LEU A 21 7.731 52.659 10.321 1.00 24.80 H new ATOM 0 HD21 LEU A 21 5.150 52.184 8.719 1.00 23.44 H new ATOM 0 HD22 LEU A 21 6.460 53.261 8.179 1.00 23.44 H new ATOM 0 HD23 LEU A 21 5.900 51.942 7.123 1.00 23.44 H new ATOM 342 N GLU A 22 10.114 48.204 7.497 1.00 21.92 N ATOM 343 CA GLU A 22 10.523 47.275 6.458 1.00 21.00 C ATOM 344 C GLU A 22 9.663 46.018 6.510 1.00 20.38 C ATOM 345 O GLU A 22 9.688 45.279 7.495 1.00 20.63 O ATOM 346 CB GLU A 22 12.001 46.910 6.620 1.00 21.11 C ATOM 347 CG GLU A 22 12.895 47.496 5.538 1.00 21.38 C ATOM 348 CD GLU A 22 13.546 48.800 5.951 1.00 21.67 C ATOM 349 OE1 GLU A 22 13.785 48.993 7.161 1.00 21.81 O ATOM 350 OE2 GLU A 22 13.822 49.644 5.073 1.00 21.86 O ATOM 0 H GLU A 22 10.018 47.784 8.422 1.00 21.92 H new ATOM 0 HA GLU A 22 10.388 47.755 5.489 1.00 21.00 H new ATOM 0 HB2 GLU A 22 12.348 47.257 7.593 1.00 21.11 H new ATOM 0 HB3 GLU A 22 12.101 45.825 6.614 1.00 21.11 H new ATOM 0 HG2 GLU A 22 13.671 46.773 5.284 1.00 21.38 H new ATOM 0 HG3 GLU A 22 12.305 47.660 4.636 1.00 21.38 H new ATOM 357 N ARG A 23 8.851 45.822 5.484 1.00 19.67 N ATOM 358 CA ARG A 23 7.943 44.687 5.434 1.00 19.08 C ATOM 359 C ARG A 23 8.524 43.569 4.577 1.00 18.24 C ATOM 360 O ARG A 23 8.794 43.757 3.390 1.00 17.96 O ATOM 361 CB ARG A 23 6.583 45.117 4.878 1.00 19.09 C ATOM 362 CG ARG A 23 5.619 45.610 5.944 1.00 19.33 C ATOM 363 CD ARG A 23 5.101 44.466 6.798 1.00 19.75 C ATOM 364 NE ARG A 23 3.781 44.752 7.357 1.00 20.13 N ATOM 365 CZ ARG A 23 3.555 45.049 8.638 1.00 20.90 C ATOM 366 NH1 ARG A 23 4.568 45.150 9.493 1.00 21.36 N ATOM 367 NH2 ARG A 23 2.316 45.268 9.056 1.00 21.30 N ATOM 0 H ARG A 23 8.802 46.437 4.671 1.00 19.67 H new ATOM 0 HA ARG A 23 7.809 44.314 6.449 1.00 19.08 H new ATOM 0 HB2 ARG A 23 6.734 45.907 4.143 1.00 19.09 H new ATOM 0 HB3 ARG A 23 6.132 44.275 4.353 1.00 19.09 H new ATOM 0 HG2 ARG A 23 6.120 46.341 6.579 1.00 19.33 H new ATOM 0 HG3 ARG A 23 4.781 46.120 5.470 1.00 19.33 H new ATOM 0 HD2 ARG A 23 5.051 43.559 6.196 1.00 19.75 H new ATOM 0 HD3 ARG A 23 5.803 44.272 7.609 1.00 19.75 H new ATOM 0 HE ARG A 23 2.980 44.723 6.726 1.00 20.13 H new ATOM 0 HH11 ARG A 23 5.524 45.000 9.171 1.00 21.36 H new ATOM 0 HH12 ARG A 23 4.389 45.377 10.471 1.00 21.36 H new ATOM 0 HH21 ARG A 23 1.538 45.209 8.399 1.00 21.30 H new ATOM 0 HH22 ARG A 23 2.141 45.495 10.035 1.00 21.30 H new ATOM 381 N VAL A 24 8.724 42.412 5.187 1.00 17.96 N ATOM 382 CA VAL A 24 9.275 41.261 4.486 1.00 17.23 C ATOM 383 C VAL A 24 8.157 40.364 3.969 1.00 16.44 C ATOM 384 O VAL A 24 7.453 39.724 4.748 1.00 16.45 O ATOM 385 CB VAL A 24 10.205 40.437 5.399 1.00 17.51 C ATOM 386 CG1 VAL A 24 10.927 39.362 4.601 1.00 16.96 C ATOM 387 CG2 VAL A 24 11.203 41.344 6.107 1.00 18.40 C ATOM 0 H VAL A 24 8.512 42.244 6.170 1.00 17.96 H new ATOM 0 HA VAL A 24 9.857 41.641 3.646 1.00 17.23 H new ATOM 0 HB VAL A 24 9.593 39.946 6.156 1.00 17.51 H new ATOM 0 HG11 VAL A 24 11.578 38.792 5.264 1.00 16.96 H new ATOM 0 HG12 VAL A 24 10.196 38.693 4.147 1.00 16.96 H new ATOM 0 HG13 VAL A 24 11.525 39.830 3.819 1.00 16.96 H new ATOM 0 HG21 VAL A 24 11.850 40.744 6.746 1.00 18.40 H new ATOM 0 HG22 VAL A 24 11.808 41.867 5.367 1.00 18.40 H new ATOM 0 HG23 VAL A 24 10.666 42.071 6.715 1.00 18.40 H new ATOM 397 N VAL A 25 7.970 40.351 2.658 1.00 15.87 N ATOM 398 CA VAL A 25 6.915 39.553 2.050 1.00 15.18 C ATOM 399 C VAL A 25 7.424 38.156 1.713 1.00 14.49 C ATOM 400 O VAL A 25 8.311 37.994 0.874 1.00 14.22 O ATOM 401 CB VAL A 25 6.361 40.217 0.770 1.00 15.12 C ATOM 402 CG1 VAL A 25 5.276 39.357 0.139 1.00 15.22 C ATOM 403 CG2 VAL A 25 5.833 41.612 1.077 1.00 15.32 C ATOM 0 H VAL A 25 8.534 40.883 1.995 1.00 15.87 H new ATOM 0 HA VAL A 25 6.108 39.482 2.779 1.00 15.18 H new ATOM 0 HB VAL A 25 7.177 40.309 0.054 1.00 15.12 H new ATOM 0 HG11 VAL A 25 4.902 39.846 -0.761 1.00 15.22 H new ATOM 0 HG12 VAL A 25 5.690 38.383 -0.122 1.00 15.22 H new ATOM 0 HG13 VAL A 25 4.458 39.225 0.847 1.00 15.22 H new ATOM 0 HG21 VAL A 25 5.447 42.064 0.163 1.00 15.32 H new ATOM 0 HG22 VAL A 25 5.033 41.544 1.814 1.00 15.32 H new ATOM 0 HG23 VAL A 25 6.641 42.228 1.473 1.00 15.32 H new ATOM 413 N THR A 26 6.845 37.152 2.354 1.00 14.33 N ATOM 414 CA THR A 26 7.209 35.767 2.108 1.00 13.78 C ATOM 415 C THR A 26 5.990 34.975 1.646 1.00 13.06 C ATOM 416 O THR A 26 4.895 35.146 2.183 1.00 13.24 O ATOM 417 CB THR A 26 7.795 35.115 3.377 1.00 14.30 C ATOM 418 OG1 THR A 26 8.367 36.121 4.228 1.00 15.24 O ATOM 419 CG2 THR A 26 8.854 34.084 3.023 1.00 14.19 C ATOM 0 H THR A 26 6.114 37.274 3.055 1.00 14.33 H new ATOM 0 HA THR A 26 7.969 35.754 1.326 1.00 13.78 H new ATOM 0 HB THR A 26 6.984 34.611 3.902 1.00 14.30 H new ATOM 0 HG1 THR A 26 8.735 35.699 5.032 1.00 15.24 H new ATOM 0 HG21 THR A 26 9.250 33.641 3.937 1.00 14.19 H new ATOM 0 HG22 THR A 26 8.410 33.304 2.404 1.00 14.19 H new ATOM 0 HG23 THR A 26 9.663 34.567 2.474 1.00 14.19 H new ATOM 427 N ALA A 27 6.164 34.157 0.619 1.00 12.38 N ATOM 428 CA ALA A 27 5.060 33.391 0.060 1.00 11.72 C ATOM 429 C ALA A 27 5.537 32.041 -0.466 1.00 10.95 C ATOM 430 O ALA A 27 5.942 31.923 -1.626 1.00 10.49 O ATOM 431 CB ALA A 27 4.385 34.181 -1.048 1.00 11.52 C ATOM 0 H ALA A 27 7.060 34.006 0.155 1.00 12.38 H new ATOM 0 HA ALA A 27 4.338 33.205 0.855 1.00 11.72 H new ATOM 0 HB1 ALA A 27 3.560 33.599 -1.459 1.00 11.52 H new ATOM 0 HB2 ALA A 27 4.002 35.118 -0.645 1.00 11.52 H new ATOM 0 HB3 ALA A 27 5.108 34.393 -1.836 1.00 11.52 H new ATOM 437 N PRO A 28 5.517 31.008 0.390 1.00 10.96 N ATOM 438 CA PRO A 28 5.956 29.668 0.019 1.00 10.40 C ATOM 439 C PRO A 28 4.868 28.869 -0.700 1.00 9.29 C ATOM 440 O PRO A 28 3.784 28.644 -0.158 1.00 9.03 O ATOM 441 CB PRO A 28 6.285 29.033 1.369 1.00 11.01 C ATOM 442 CG PRO A 28 5.371 29.699 2.342 1.00 11.79 C ATOM 443 CD PRO A 28 5.076 31.075 1.799 1.00 11.72 C ATOM 0 HA PRO A 28 6.791 29.688 -0.681 1.00 10.40 H new ATOM 0 HB2 PRO A 28 6.122 27.955 1.348 1.00 11.01 H new ATOM 0 HB3 PRO A 28 7.330 29.192 1.636 1.00 11.01 H new ATOM 0 HG2 PRO A 28 4.451 29.126 2.461 1.00 11.79 H new ATOM 0 HG3 PRO A 28 5.836 29.764 3.326 1.00 11.79 H new ATOM 0 HD2 PRO A 28 4.015 31.314 1.874 1.00 11.72 H new ATOM 0 HD3 PRO A 28 5.616 31.845 2.350 1.00 11.72 H new ATOM 451 N VAL A 29 5.174 28.417 -1.907 1.00 8.79 N ATOM 452 CA VAL A 29 4.244 27.596 -2.671 1.00 7.84 C ATOM 453 C VAL A 29 4.506 26.118 -2.394 1.00 7.19 C ATOM 454 O VAL A 29 5.407 25.512 -2.976 1.00 7.22 O ATOM 455 CB VAL A 29 4.347 27.866 -4.187 1.00 7.91 C ATOM 456 CG1 VAL A 29 3.116 27.343 -4.907 1.00 7.97 C ATOM 457 CG2 VAL A 29 4.531 29.350 -4.462 1.00 8.51 C ATOM 0 H VAL A 29 6.059 28.604 -2.379 1.00 8.79 H new ATOM 0 HA VAL A 29 3.235 27.860 -2.353 1.00 7.84 H new ATOM 0 HB VAL A 29 5.222 27.338 -4.566 1.00 7.91 H new ATOM 0 HG11 VAL A 29 3.207 27.542 -5.975 1.00 7.97 H new ATOM 0 HG12 VAL A 29 3.029 26.269 -4.745 1.00 7.97 H new ATOM 0 HG13 VAL A 29 2.228 27.842 -4.519 1.00 7.97 H new ATOM 0 HG21 VAL A 29 4.601 29.515 -5.537 1.00 8.51 H new ATOM 0 HG22 VAL A 29 3.679 29.902 -4.065 1.00 8.51 H new ATOM 0 HG23 VAL A 29 5.445 29.699 -3.981 1.00 8.51 H new ATOM 467 N SER A 30 3.799 25.584 -1.414 1.00 6.88 N ATOM 468 CA SER A 30 4.020 24.220 -0.964 1.00 6.51 C ATOM 469 C SER A 30 3.208 23.224 -1.789 1.00 5.49 C ATOM 470 O SER A 30 1.974 23.216 -1.744 1.00 5.34 O ATOM 471 CB SER A 30 3.661 24.106 0.519 1.00 7.14 C ATOM 472 OG SER A 30 3.956 25.316 1.201 1.00 8.11 O ATOM 0 H SER A 30 3.062 26.078 -0.911 1.00 6.88 H new ATOM 0 HA SER A 30 5.074 23.977 -1.101 1.00 6.51 H new ATOM 0 HB2 SER A 30 2.602 23.872 0.625 1.00 7.14 H new ATOM 0 HB3 SER A 30 4.216 23.284 0.970 1.00 7.14 H new ATOM 0 HG SER A 30 3.718 25.224 2.147 1.00 8.11 H new ATOM 478 N SER A 31 3.904 22.383 -2.536 1.00 5.13 N ATOM 479 CA SER A 31 3.257 21.363 -3.342 1.00 4.45 C ATOM 480 C SER A 31 2.938 20.137 -2.495 1.00 3.89 C ATOM 481 O SER A 31 3.819 19.583 -1.832 1.00 4.19 O ATOM 482 CB SER A 31 4.159 20.977 -4.514 1.00 4.99 C ATOM 483 OG SER A 31 5.108 21.999 -4.779 1.00 5.80 O ATOM 0 H SER A 31 4.922 22.388 -2.600 1.00 5.13 H new ATOM 0 HA SER A 31 2.321 21.764 -3.732 1.00 4.45 H new ATOM 0 HB2 SER A 31 4.676 20.044 -4.289 1.00 4.99 H new ATOM 0 HB3 SER A 31 3.552 20.799 -5.402 1.00 4.99 H new ATOM 0 HG SER A 31 5.676 21.731 -5.531 1.00 5.80 H new ATOM 489 N GLY A 32 1.680 19.732 -2.504 1.00 3.41 N ATOM 490 CA GLY A 32 1.268 18.573 -1.743 1.00 3.15 C ATOM 491 C GLY A 32 0.606 17.534 -2.623 1.00 2.12 C ATOM 492 O GLY A 32 -0.617 17.401 -2.623 1.00 2.44 O ATOM 0 H GLY A 32 0.932 20.188 -3.028 1.00 3.41 H new ATOM 0 HA2 GLY A 32 2.135 18.134 -1.250 1.00 3.15 H new ATOM 0 HA3 GLY A 32 0.577 18.880 -0.958 1.00 3.15 H new ATOM 496 N LYS A 33 1.403 16.846 -3.421 1.00 1.50 N ATOM 497 CA LYS A 33 0.879 15.860 -4.348 1.00 0.87 C ATOM 498 C LYS A 33 1.473 14.492 -4.065 1.00 0.73 C ATOM 499 O LYS A 33 2.692 14.331 -4.040 1.00 0.87 O ATOM 500 CB LYS A 33 1.191 16.275 -5.787 1.00 1.50 C ATOM 501 CG LYS A 33 -0.022 16.274 -6.702 1.00 2.21 C ATOM 502 CD LYS A 33 -1.118 17.185 -6.174 1.00 3.19 C ATOM 503 CE LYS A 33 -2.450 16.902 -6.848 1.00 4.16 C ATOM 504 NZ LYS A 33 -3.175 15.775 -6.203 1.00 4.98 N ATOM 0 H LYS A 33 2.417 16.953 -3.445 1.00 1.50 H new ATOM 0 HA LYS A 33 -0.202 15.804 -4.218 1.00 0.87 H new ATOM 0 HB2 LYS A 33 1.629 17.273 -5.781 1.00 1.50 H new ATOM 0 HB3 LYS A 33 1.943 15.600 -6.195 1.00 1.50 H new ATOM 0 HG2 LYS A 33 0.273 16.599 -7.700 1.00 2.21 H new ATOM 0 HG3 LYS A 33 -0.406 15.258 -6.798 1.00 2.21 H new ATOM 0 HD2 LYS A 33 -1.218 17.049 -5.097 1.00 3.19 H new ATOM 0 HD3 LYS A 33 -0.839 18.226 -6.340 1.00 3.19 H new ATOM 0 HE2 LYS A 33 -3.070 17.798 -6.815 1.00 4.16 H new ATOM 0 HE3 LYS A 33 -2.282 16.670 -7.900 1.00 4.16 H new ATOM 0 HZ1 LYS A 33 -4.078 15.616 -6.694 1.00 4.98 H new ATOM 0 HZ2 LYS A 33 -2.595 14.913 -6.257 1.00 4.98 H new ATOM 0 HZ3 LYS A 33 -3.360 16.006 -5.206 1.00 4.98 H new ATOM 518 N ILE A 34 0.608 13.517 -3.842 1.00 0.64 N ATOM 519 CA ILE A 34 1.046 12.155 -3.572 1.00 0.59 C ATOM 520 C ILE A 34 0.780 11.265 -4.779 1.00 0.52 C ATOM 521 O ILE A 34 -0.298 11.316 -5.372 1.00 0.59 O ATOM 522 CB ILE A 34 0.330 11.565 -2.337 1.00 0.65 C ATOM 523 CG1 ILE A 34 0.347 12.562 -1.178 1.00 1.10 C ATOM 524 CG2 ILE A 34 0.975 10.254 -1.913 1.00 1.06 C ATOM 525 CD1 ILE A 34 -1.011 12.784 -0.549 1.00 1.67 C ATOM 0 H ILE A 34 -0.404 13.642 -3.842 1.00 0.64 H new ATOM 0 HA ILE A 34 2.116 12.190 -3.369 1.00 0.59 H new ATOM 0 HB ILE A 34 -0.706 11.366 -2.611 1.00 0.65 H new ATOM 0 HG12 ILE A 34 1.038 12.206 -0.414 1.00 1.10 H new ATOM 0 HG13 ILE A 34 0.732 13.516 -1.537 1.00 1.10 H new ATOM 0 HG21 ILE A 34 0.454 9.857 -1.042 1.00 1.06 H new ATOM 0 HG22 ILE A 34 0.912 9.536 -2.731 1.00 1.06 H new ATOM 0 HG23 ILE A 34 2.021 10.428 -1.662 1.00 1.06 H new ATOM 0 HD11 ILE A 34 -0.922 13.503 0.266 1.00 1.67 H new ATOM 0 HD12 ILE A 34 -1.701 13.170 -1.299 1.00 1.67 H new ATOM 0 HD13 ILE A 34 -1.390 11.839 -0.159 1.00 1.67 H new ATOM 537 N LYS A 35 1.772 10.473 -5.149 1.00 0.50 N ATOM 538 CA LYS A 35 1.674 9.586 -6.294 1.00 0.49 C ATOM 539 C LYS A 35 1.537 8.140 -5.835 1.00 0.44 C ATOM 540 O LYS A 35 2.148 7.740 -4.844 1.00 0.47 O ATOM 541 CB LYS A 35 2.919 9.740 -7.166 1.00 0.59 C ATOM 542 CG LYS A 35 2.815 10.857 -8.187 1.00 0.92 C ATOM 543 CD LYS A 35 2.920 10.323 -9.604 1.00 1.10 C ATOM 544 CE LYS A 35 1.755 10.788 -10.458 1.00 1.08 C ATOM 545 NZ LYS A 35 2.127 11.922 -11.341 1.00 1.27 N ATOM 0 H LYS A 35 2.668 10.427 -4.664 1.00 0.50 H new ATOM 0 HA LYS A 35 0.790 9.851 -6.874 1.00 0.49 H new ATOM 0 HB2 LYS A 35 3.780 9.926 -6.524 1.00 0.59 H new ATOM 0 HB3 LYS A 35 3.106 8.801 -7.686 1.00 0.59 H new ATOM 0 HG2 LYS A 35 1.866 11.379 -8.062 1.00 0.92 H new ATOM 0 HG3 LYS A 35 3.605 11.587 -8.012 1.00 0.92 H new ATOM 0 HD2 LYS A 35 3.857 10.655 -10.051 1.00 1.10 H new ATOM 0 HD3 LYS A 35 2.946 9.234 -9.583 1.00 1.10 H new ATOM 0 HE2 LYS A 35 1.398 9.957 -11.067 1.00 1.08 H new ATOM 0 HE3 LYS A 35 0.930 11.088 -9.812 1.00 1.08 H new ATOM 0 HZ1 LYS A 35 1.302 12.207 -11.906 1.00 1.27 H new ATOM 0 HZ2 LYS A 35 2.443 12.725 -10.760 1.00 1.27 H new ATOM 0 HZ3 LYS A 35 2.897 11.629 -11.976 1.00 1.27 H new ATOM 559 N ARG A 36 0.758 7.356 -6.563 1.00 0.52 N ATOM 560 CA ARG A 36 0.560 5.953 -6.220 1.00 0.53 C ATOM 561 C ARG A 36 1.364 5.052 -7.152 1.00 0.56 C ATOM 562 O ARG A 36 1.287 5.173 -8.379 1.00 0.76 O ATOM 563 CB ARG A 36 -0.929 5.580 -6.268 1.00 0.64 C ATOM 564 CG ARG A 36 -1.660 6.125 -7.483 1.00 1.17 C ATOM 565 CD ARG A 36 -3.007 5.447 -7.678 1.00 1.51 C ATOM 566 NE ARG A 36 -3.134 4.862 -9.014 1.00 2.02 N ATOM 567 CZ ARG A 36 -3.620 5.509 -10.069 1.00 2.75 C ATOM 568 NH1 ARG A 36 -4.135 6.724 -9.937 1.00 2.99 N ATOM 569 NH2 ARG A 36 -3.626 4.922 -11.258 1.00 3.65 N ATOM 0 H ARG A 36 0.253 7.664 -7.394 1.00 0.52 H new ATOM 0 HA ARG A 36 0.916 5.803 -5.201 1.00 0.53 H new ATOM 0 HB2 ARG A 36 -1.022 4.494 -6.257 1.00 0.64 H new ATOM 0 HB3 ARG A 36 -1.416 5.951 -5.366 1.00 0.64 H new ATOM 0 HG2 ARG A 36 -1.806 7.199 -7.369 1.00 1.17 H new ATOM 0 HG3 ARG A 36 -1.047 5.980 -8.372 1.00 1.17 H new ATOM 0 HD2 ARG A 36 -3.134 4.668 -6.927 1.00 1.51 H new ATOM 0 HD3 ARG A 36 -3.805 6.173 -7.522 1.00 1.51 H new ATOM 0 HE ARG A 36 -2.830 3.897 -9.144 1.00 2.02 H new ATOM 0 HH11 ARG A 36 -4.161 7.170 -9.020 1.00 2.99 H new ATOM 0 HH12 ARG A 36 -4.505 7.212 -10.752 1.00 2.99 H new ATOM 0 HH21 ARG A 36 -3.258 3.976 -11.362 1.00 3.65 H new ATOM 0 HH22 ARG A 36 -3.998 5.416 -12.069 1.00 3.65 H new ATOM 583 N VAL A 37 2.182 4.193 -6.562 1.00 0.49 N ATOM 584 CA VAL A 37 3.052 3.303 -7.321 1.00 0.56 C ATOM 585 C VAL A 37 2.867 1.858 -6.867 1.00 0.53 C ATOM 586 O VAL A 37 2.764 1.586 -5.670 1.00 0.55 O ATOM 587 CB VAL A 37 4.541 3.697 -7.163 1.00 0.69 C ATOM 588 CG1 VAL A 37 5.423 2.903 -8.114 1.00 1.04 C ATOM 589 CG2 VAL A 37 4.732 5.192 -7.383 1.00 1.26 C ATOM 0 H VAL A 37 2.262 4.092 -5.550 1.00 0.49 H new ATOM 0 HA VAL A 37 2.774 3.397 -8.371 1.00 0.56 H new ATOM 0 HB VAL A 37 4.841 3.457 -6.143 1.00 0.69 H new ATOM 0 HG11 VAL A 37 6.463 3.201 -7.980 1.00 1.04 H new ATOM 0 HG12 VAL A 37 5.321 1.839 -7.902 1.00 1.04 H new ATOM 0 HG13 VAL A 37 5.119 3.099 -9.142 1.00 1.04 H new ATOM 0 HG21 VAL A 37 5.786 5.445 -7.267 1.00 1.26 H new ATOM 0 HG22 VAL A 37 4.404 5.457 -8.388 1.00 1.26 H new ATOM 0 HG23 VAL A 37 4.143 5.746 -6.652 1.00 1.26 H new ATOM 599 N ASN A 38 2.865 0.936 -7.819 1.00 0.55 N ATOM 600 CA ASN A 38 2.758 -0.484 -7.508 1.00 0.56 C ATOM 601 C ASN A 38 4.110 -1.154 -7.700 1.00 0.49 C ATOM 602 O ASN A 38 4.710 -1.053 -8.771 1.00 0.57 O ATOM 603 CB ASN A 38 1.708 -1.158 -8.397 1.00 0.74 C ATOM 604 CG ASN A 38 1.389 -2.574 -7.948 1.00 0.81 C ATOM 605 OD1 ASN A 38 2.193 -3.491 -8.103 1.00 1.53 O ATOM 606 ND2 ASN A 38 0.195 -2.766 -7.411 1.00 1.00 N ATOM 0 H ASN A 38 2.936 1.145 -8.815 1.00 0.55 H new ATOM 0 HA ASN A 38 2.445 -0.590 -6.469 1.00 0.56 H new ATOM 0 HB2 ASN A 38 0.795 -0.563 -8.390 1.00 0.74 H new ATOM 0 HB3 ASN A 38 2.067 -1.179 -9.426 1.00 0.74 H new ATOM 0 HD21 ASN A 38 -0.085 -3.700 -7.110 1.00 1.00 H new ATOM 0 HD22 ASN A 38 -0.446 -1.980 -7.298 1.00 1.00 H new ATOM 613 N VAL A 39 4.612 -1.786 -6.651 1.00 0.41 N ATOM 614 CA VAL A 39 5.915 -2.434 -6.699 1.00 0.44 C ATOM 615 C VAL A 39 5.783 -3.928 -6.430 1.00 0.42 C ATOM 616 O VAL A 39 4.747 -4.393 -5.946 1.00 0.48 O ATOM 617 CB VAL A 39 6.900 -1.816 -5.682 1.00 0.61 C ATOM 618 CG1 VAL A 39 7.190 -0.365 -6.034 1.00 1.24 C ATOM 619 CG2 VAL A 39 6.357 -1.925 -4.264 1.00 0.63 C ATOM 0 H VAL A 39 4.136 -1.865 -5.752 1.00 0.41 H new ATOM 0 HA VAL A 39 6.312 -2.278 -7.702 1.00 0.44 H new ATOM 0 HB VAL A 39 7.834 -2.376 -5.730 1.00 0.61 H new ATOM 0 HG11 VAL A 39 7.886 0.054 -5.307 1.00 1.24 H new ATOM 0 HG12 VAL A 39 7.631 -0.313 -7.029 1.00 1.24 H new ATOM 0 HG13 VAL A 39 6.262 0.206 -6.018 1.00 1.24 H new ATOM 0 HG21 VAL A 39 7.069 -1.483 -3.567 1.00 0.63 H new ATOM 0 HG22 VAL A 39 5.407 -1.396 -4.197 1.00 0.63 H new ATOM 0 HG23 VAL A 39 6.206 -2.975 -4.012 1.00 0.63 H new ATOM 629 N ASN A 40 6.830 -4.676 -6.737 1.00 0.46 N ATOM 630 CA ASN A 40 6.827 -6.112 -6.513 1.00 0.51 C ATOM 631 C ASN A 40 8.032 -6.531 -5.682 1.00 0.44 C ATOM 632 O ASN A 40 9.144 -6.037 -5.887 1.00 0.56 O ATOM 633 CB ASN A 40 6.794 -6.873 -7.849 1.00 0.67 C ATOM 634 CG ASN A 40 8.106 -6.824 -8.617 1.00 1.45 C ATOM 635 OD1 ASN A 40 9.017 -7.613 -8.365 1.00 2.02 O ATOM 636 ND2 ASN A 40 8.203 -5.915 -9.576 1.00 2.13 N ATOM 0 H ASN A 40 7.693 -4.313 -7.142 1.00 0.46 H new ATOM 0 HA ASN A 40 5.925 -6.367 -5.956 1.00 0.51 H new ATOM 0 HB2 ASN A 40 6.535 -7.914 -7.657 1.00 0.67 H new ATOM 0 HB3 ASN A 40 6.003 -6.458 -8.473 1.00 0.67 H new ATOM 0 HD21 ASN A 40 9.054 -5.852 -10.135 1.00 2.13 H new ATOM 0 HD22 ASN A 40 7.427 -5.278 -9.755 1.00 2.13 H new ATOM 643 N PHE A 41 7.795 -7.411 -4.719 1.00 0.40 N ATOM 644 CA PHE A 41 8.850 -7.890 -3.831 1.00 0.45 C ATOM 645 C PHE A 41 9.041 -9.390 -4.001 1.00 0.45 C ATOM 646 O PHE A 41 8.135 -10.092 -4.455 1.00 0.56 O ATOM 647 CB PHE A 41 8.514 -7.586 -2.363 1.00 0.62 C ATOM 648 CG PHE A 41 8.497 -6.127 -2.016 1.00 0.54 C ATOM 649 CD1 PHE A 41 9.249 -5.228 -2.752 1.00 1.14 C ATOM 650 CD2 PHE A 41 7.738 -5.655 -0.961 1.00 0.98 C ATOM 651 CE1 PHE A 41 9.246 -3.884 -2.440 1.00 1.16 C ATOM 652 CE2 PHE A 41 7.733 -4.314 -0.642 1.00 1.10 C ATOM 653 CZ PHE A 41 8.439 -3.433 -1.366 1.00 0.75 C ATOM 0 H PHE A 41 6.876 -7.811 -4.531 1.00 0.40 H new ATOM 0 HA PHE A 41 9.771 -7.371 -4.097 1.00 0.45 H new ATOM 0 HB2 PHE A 41 7.538 -8.013 -2.131 1.00 0.62 H new ATOM 0 HB3 PHE A 41 9.241 -8.089 -1.726 1.00 0.62 H new ATOM 0 HD1 PHE A 41 9.845 -5.583 -3.580 1.00 1.14 H new ATOM 0 HD2 PHE A 41 7.143 -6.344 -0.381 1.00 0.98 H new ATOM 0 HE1 PHE A 41 9.848 -3.188 -3.005 1.00 1.16 H new ATOM 0 HE2 PHE A 41 7.153 -3.969 0.201 1.00 1.10 H new ATOM 0 HZ PHE A 41 8.392 -2.380 -1.131 1.00 0.75 H new ATOM 663 N ASP A 42 10.196 -9.880 -3.580 1.00 0.45 N ATOM 664 CA ASP A 42 10.496 -11.306 -3.624 1.00 0.47 C ATOM 665 C ASP A 42 9.787 -12.026 -2.477 1.00 0.40 C ATOM 666 O ASP A 42 9.298 -11.384 -1.545 1.00 0.35 O ATOM 667 CB ASP A 42 12.019 -11.510 -3.572 1.00 0.62 C ATOM 668 CG ASP A 42 12.459 -12.817 -2.944 1.00 0.70 C ATOM 669 OD1 ASP A 42 12.543 -13.827 -3.664 1.00 1.38 O ATOM 670 OD2 ASP A 42 12.698 -12.839 -1.719 1.00 1.35 O ATOM 0 H ASP A 42 10.949 -9.306 -3.200 1.00 0.45 H new ATOM 0 HA ASP A 42 10.129 -11.735 -4.556 1.00 0.47 H new ATOM 0 HB2 ASP A 42 12.414 -11.458 -4.587 1.00 0.62 H new ATOM 0 HB3 ASP A 42 12.464 -10.686 -3.014 1.00 0.62 H new ATOM 675 N GLU A 43 9.642 -13.338 -2.605 1.00 0.46 N ATOM 676 CA GLU A 43 8.908 -14.136 -1.622 1.00 0.48 C ATOM 677 C GLU A 43 9.466 -13.944 -0.214 1.00 0.40 C ATOM 678 O GLU A 43 8.734 -13.560 0.697 1.00 0.42 O ATOM 679 CB GLU A 43 8.944 -15.615 -2.000 1.00 0.65 C ATOM 680 CG GLU A 43 7.737 -16.064 -2.806 1.00 1.08 C ATOM 681 CD GLU A 43 6.704 -16.779 -1.963 1.00 1.04 C ATOM 682 OE1 GLU A 43 6.188 -16.174 -0.997 1.00 1.28 O ATOM 683 OE2 GLU A 43 6.390 -17.949 -2.269 1.00 1.45 O ATOM 0 H GLU A 43 10.023 -13.878 -3.382 1.00 0.46 H new ATOM 0 HA GLU A 43 7.874 -13.791 -1.626 1.00 0.48 H new ATOM 0 HB2 GLU A 43 9.849 -15.813 -2.575 1.00 0.65 H new ATOM 0 HB3 GLU A 43 9.007 -16.213 -1.091 1.00 0.65 H new ATOM 0 HG2 GLU A 43 7.277 -15.196 -3.278 1.00 1.08 H new ATOM 0 HG3 GLU A 43 8.066 -16.725 -3.608 1.00 1.08 H new ATOM 690 N GLU A 44 10.774 -14.137 -0.063 1.00 0.38 N ATOM 691 CA GLU A 44 11.442 -13.928 1.221 1.00 0.42 C ATOM 692 C GLU A 44 11.219 -12.509 1.714 1.00 0.37 C ATOM 693 O GLU A 44 10.956 -12.282 2.896 1.00 0.43 O ATOM 694 CB GLU A 44 12.945 -14.180 1.090 1.00 0.52 C ATOM 695 CG GLU A 44 13.502 -15.143 2.126 1.00 0.60 C ATOM 696 CD GLU A 44 13.714 -14.493 3.480 1.00 1.56 C ATOM 697 OE1 GLU A 44 14.673 -13.707 3.623 1.00 2.34 O ATOM 698 OE2 GLU A 44 12.913 -14.752 4.404 1.00 2.19 O ATOM 0 H GLU A 44 11.394 -14.438 -0.815 1.00 0.38 H new ATOM 0 HA GLU A 44 11.017 -14.631 1.938 1.00 0.42 H new ATOM 0 HB2 GLU A 44 13.152 -14.573 0.095 1.00 0.52 H new ATOM 0 HB3 GLU A 44 13.471 -13.229 1.173 1.00 0.52 H new ATOM 0 HG2 GLU A 44 12.820 -15.986 2.236 1.00 0.60 H new ATOM 0 HG3 GLU A 44 14.450 -15.545 1.769 1.00 0.60 H new ATOM 705 N LYS A 45 11.314 -11.560 0.796 1.00 0.32 N ATOM 706 CA LYS A 45 11.147 -10.156 1.127 1.00 0.35 C ATOM 707 C LYS A 45 9.743 -9.874 1.657 1.00 0.30 C ATOM 708 O LYS A 45 9.558 -8.996 2.495 1.00 0.35 O ATOM 709 CB LYS A 45 11.440 -9.277 -0.094 1.00 0.39 C ATOM 710 CG LYS A 45 12.787 -9.568 -0.739 1.00 0.56 C ATOM 711 CD LYS A 45 13.722 -8.371 -0.654 1.00 0.68 C ATOM 712 CE LYS A 45 15.074 -8.755 -0.066 1.00 1.04 C ATOM 713 NZ LYS A 45 15.991 -9.321 -1.089 1.00 1.09 N ATOM 0 H LYS A 45 11.507 -11.740 -0.189 1.00 0.32 H new ATOM 0 HA LYS A 45 11.860 -9.913 1.915 1.00 0.35 H new ATOM 0 HB2 LYS A 45 10.653 -9.421 -0.834 1.00 0.39 H new ATOM 0 HB3 LYS A 45 11.408 -8.229 0.206 1.00 0.39 H new ATOM 0 HG2 LYS A 45 13.248 -10.425 -0.248 1.00 0.56 H new ATOM 0 HG3 LYS A 45 12.639 -9.841 -1.784 1.00 0.56 H new ATOM 0 HD2 LYS A 45 13.864 -7.948 -1.649 1.00 0.68 H new ATOM 0 HD3 LYS A 45 13.265 -7.595 -0.040 1.00 0.68 H new ATOM 0 HE2 LYS A 45 15.534 -7.876 0.386 1.00 1.04 H new ATOM 0 HE3 LYS A 45 14.928 -9.484 0.731 1.00 1.04 H new ATOM 0 HZ1 LYS A 45 16.973 -9.074 -0.850 1.00 1.09 H new ATOM 0 HZ2 LYS A 45 15.890 -10.356 -1.111 1.00 1.09 H new ATOM 0 HZ3 LYS A 45 15.753 -8.930 -2.023 1.00 1.09 H new ATOM 727 N HIS A 46 8.763 -10.640 1.207 1.00 0.28 N ATOM 728 CA HIS A 46 7.394 -10.433 1.662 1.00 0.31 C ATOM 729 C HIS A 46 7.103 -11.204 2.941 1.00 0.32 C ATOM 730 O HIS A 46 6.452 -10.679 3.844 1.00 0.34 O ATOM 731 CB HIS A 46 6.385 -10.811 0.584 1.00 0.38 C ATOM 732 CG HIS A 46 5.118 -10.019 0.678 1.00 0.43 C ATOM 733 ND1 HIS A 46 3.919 -10.561 1.085 1.00 0.58 N ATOM 734 CD2 HIS A 46 4.876 -8.705 0.448 1.00 0.47 C ATOM 735 CE1 HIS A 46 2.997 -9.620 1.103 1.00 0.64 C ATOM 736 NE2 HIS A 46 3.550 -8.487 0.722 1.00 0.58 N ATOM 0 H HIS A 46 8.884 -11.400 0.537 1.00 0.28 H new ATOM 0 HA HIS A 46 7.292 -9.369 1.874 1.00 0.31 H new ATOM 0 HB2 HIS A 46 6.833 -10.657 -0.398 1.00 0.38 H new ATOM 0 HB3 HIS A 46 6.152 -11.873 0.666 1.00 0.38 H new ATOM 0 HD2 HIS A 46 5.592 -7.969 0.113 1.00 0.47 H new ATOM 0 HE1 HIS A 46 1.963 -9.755 1.383 1.00 0.64 H new ATOM 0 HE2 HIS A 46 3.069 -7.591 0.643 1.00 0.58 H new ATOM 745 N THR A 47 7.596 -12.431 3.035 1.00 0.33 N ATOM 746 CA THR A 47 7.407 -13.223 4.245 1.00 0.40 C ATOM 747 C THR A 47 8.085 -12.539 5.428 1.00 0.39 C ATOM 748 O THR A 47 7.513 -12.431 6.516 1.00 0.43 O ATOM 749 CB THR A 47 7.965 -14.648 4.078 1.00 0.47 C ATOM 750 OG1 THR A 47 7.632 -15.149 2.779 1.00 0.72 O ATOM 751 CG2 THR A 47 7.398 -15.578 5.142 1.00 0.60 C ATOM 0 H THR A 47 8.124 -12.897 2.297 1.00 0.33 H new ATOM 0 HA THR A 47 6.336 -13.298 4.431 1.00 0.40 H new ATOM 0 HB THR A 47 9.049 -14.609 4.190 1.00 0.47 H new ATOM 0 HG1 THR A 47 8.155 -14.673 2.101 1.00 0.72 H new ATOM 0 HG21 THR A 47 7.806 -16.579 5.005 1.00 0.60 H new ATOM 0 HG22 THR A 47 7.669 -15.208 6.131 1.00 0.60 H new ATOM 0 HG23 THR A 47 6.312 -15.613 5.053 1.00 0.60 H new ATOM 759 N ARG A 48 9.257 -11.977 5.163 1.00 0.35 N ATOM 760 CA ARG A 48 9.980 -11.207 6.158 1.00 0.38 C ATOM 761 C ARG A 48 9.258 -9.901 6.447 1.00 0.34 C ATOM 762 O ARG A 48 9.178 -9.476 7.598 1.00 0.38 O ATOM 763 CB ARG A 48 11.394 -10.909 5.679 1.00 0.42 C ATOM 764 CG ARG A 48 12.395 -10.784 6.807 1.00 0.73 C ATOM 765 CD ARG A 48 12.613 -12.117 7.494 1.00 0.80 C ATOM 766 NE ARG A 48 13.447 -13.007 6.689 1.00 0.90 N ATOM 767 CZ ARG A 48 14.550 -13.600 7.135 1.00 1.43 C ATOM 768 NH1 ARG A 48 14.883 -13.521 8.417 1.00 1.83 N ATOM 769 NH2 ARG A 48 15.301 -14.301 6.299 1.00 1.87 N ATOM 0 H ARG A 48 9.727 -12.043 4.260 1.00 0.35 H new ATOM 0 HA ARG A 48 10.030 -11.799 7.072 1.00 0.38 H new ATOM 0 HB2 ARG A 48 11.716 -11.702 5.003 1.00 0.42 H new ATOM 0 HB3 ARG A 48 11.388 -9.983 5.104 1.00 0.42 H new ATOM 0 HG2 ARG A 48 13.343 -10.413 6.417 1.00 0.73 H new ATOM 0 HG3 ARG A 48 12.041 -10.051 7.532 1.00 0.73 H new ATOM 0 HD2 ARG A 48 13.084 -11.955 8.464 1.00 0.80 H new ATOM 0 HD3 ARG A 48 11.650 -12.592 7.683 1.00 0.80 H new ATOM 0 HE ARG A 48 13.165 -13.184 5.725 1.00 0.90 H new ATOM 0 HH11 ARG A 48 14.291 -13.003 9.067 1.00 1.83 H new ATOM 0 HH12 ARG A 48 15.731 -13.978 8.753 1.00 1.83 H new ATOM 0 HH21 ARG A 48 15.032 -14.384 5.319 1.00 1.87 H new ATOM 0 HH22 ARG A 48 16.148 -14.758 6.636 1.00 1.87 H new ATOM 783 N PHE A 49 8.731 -9.286 5.395 1.00 0.32 N ATOM 784 CA PHE A 49 7.994 -8.033 5.507 1.00 0.32 C ATOM 785 C PHE A 49 6.906 -8.137 6.567 1.00 0.36 C ATOM 786 O PHE A 49 6.879 -7.359 7.519 1.00 0.39 O ATOM 787 CB PHE A 49 7.356 -7.687 4.163 1.00 0.33 C ATOM 788 CG PHE A 49 7.569 -6.270 3.729 1.00 0.39 C ATOM 789 CD1 PHE A 49 8.848 -5.758 3.586 1.00 0.85 C ATOM 790 CD2 PHE A 49 6.488 -5.453 3.454 1.00 0.85 C ATOM 791 CE1 PHE A 49 9.042 -4.456 3.176 1.00 0.92 C ATOM 792 CE2 PHE A 49 6.678 -4.149 3.045 1.00 0.94 C ATOM 793 CZ PHE A 49 7.957 -3.650 2.907 1.00 0.67 C ATOM 0 H PHE A 49 8.802 -9.641 4.441 1.00 0.32 H new ATOM 0 HA PHE A 49 8.694 -7.250 5.798 1.00 0.32 H new ATOM 0 HB2 PHE A 49 7.759 -8.353 3.400 1.00 0.33 H new ATOM 0 HB3 PHE A 49 6.285 -7.880 4.222 1.00 0.33 H new ATOM 0 HD1 PHE A 49 9.702 -6.385 3.798 1.00 0.85 H new ATOM 0 HD2 PHE A 49 5.485 -5.839 3.560 1.00 0.85 H new ATOM 0 HE1 PHE A 49 10.044 -4.068 3.066 1.00 0.92 H new ATOM 0 HE2 PHE A 49 5.826 -3.519 2.833 1.00 0.94 H new ATOM 0 HZ PHE A 49 8.108 -2.629 2.589 1.00 0.67 H new ATOM 803 N LYS A 50 6.016 -9.104 6.386 1.00 0.39 N ATOM 804 CA LYS A 50 4.898 -9.305 7.298 1.00 0.45 C ATOM 805 C LYS A 50 5.380 -9.670 8.700 1.00 0.42 C ATOM 806 O LYS A 50 4.844 -9.181 9.693 1.00 0.42 O ATOM 807 CB LYS A 50 3.969 -10.403 6.772 1.00 0.54 C ATOM 808 CG LYS A 50 3.678 -10.307 5.281 1.00 0.93 C ATOM 809 CD LYS A 50 2.183 -10.239 4.996 1.00 1.47 C ATOM 810 CE LYS A 50 1.395 -11.266 5.805 1.00 1.37 C ATOM 811 NZ LYS A 50 1.399 -12.609 5.166 1.00 2.17 N ATOM 0 H LYS A 50 6.048 -9.766 5.610 1.00 0.39 H new ATOM 0 HA LYS A 50 4.350 -8.365 7.357 1.00 0.45 H new ATOM 0 HB2 LYS A 50 4.416 -11.374 6.983 1.00 0.54 H new ATOM 0 HB3 LYS A 50 3.027 -10.360 7.319 1.00 0.54 H new ATOM 0 HG2 LYS A 50 4.166 -9.422 4.872 1.00 0.93 H new ATOM 0 HG3 LYS A 50 4.106 -11.171 4.772 1.00 0.93 H new ATOM 0 HD2 LYS A 50 1.816 -9.239 5.226 1.00 1.47 H new ATOM 0 HD3 LYS A 50 2.009 -10.406 3.933 1.00 1.47 H new ATOM 0 HE2 LYS A 50 1.820 -11.341 6.806 1.00 1.37 H new ATOM 0 HE3 LYS A 50 0.367 -10.924 5.920 1.00 1.37 H new ATOM 0 HZ1 LYS A 50 0.852 -13.273 5.750 1.00 2.17 H new ATOM 0 HZ2 LYS A 50 0.970 -12.545 4.221 1.00 2.17 H new ATOM 0 HZ3 LYS A 50 2.378 -12.949 5.079 1.00 2.17 H new ATOM 825 N ALA A 51 6.360 -10.563 8.775 1.00 0.43 N ATOM 826 CA ALA A 51 6.859 -11.054 10.057 1.00 0.46 C ATOM 827 C ALA A 51 7.537 -9.948 10.863 1.00 0.44 C ATOM 828 O ALA A 51 7.209 -9.721 12.034 1.00 0.47 O ATOM 829 CB ALA A 51 7.822 -12.210 9.835 1.00 0.53 C ATOM 0 H ALA A 51 6.827 -10.964 7.961 1.00 0.43 H new ATOM 0 HA ALA A 51 6.003 -11.403 10.634 1.00 0.46 H new ATOM 0 HB1 ALA A 51 8.188 -12.568 10.797 1.00 0.53 H new ATOM 0 HB2 ALA A 51 7.306 -13.019 9.319 1.00 0.53 H new ATOM 0 HB3 ALA A 51 8.663 -11.872 9.230 1.00 0.53 H new ATOM 835 N ALA A 52 8.500 -9.282 10.239 1.00 0.46 N ATOM 836 CA ALA A 52 9.265 -8.236 10.901 1.00 0.53 C ATOM 837 C ALA A 52 8.373 -7.062 11.286 1.00 0.53 C ATOM 838 O ALA A 52 8.452 -6.553 12.406 1.00 0.65 O ATOM 839 CB ALA A 52 10.400 -7.773 10.009 1.00 0.58 C ATOM 0 H ALA A 52 8.770 -9.450 9.270 1.00 0.46 H new ATOM 0 HA ALA A 52 9.685 -8.650 11.818 1.00 0.53 H new ATOM 0 HB1 ALA A 52 10.965 -6.990 10.516 1.00 0.58 H new ATOM 0 HB2 ALA A 52 11.059 -8.614 9.793 1.00 0.58 H new ATOM 0 HB3 ALA A 52 9.993 -7.381 9.077 1.00 0.58 H new ATOM 845 N CYS A 53 7.503 -6.651 10.368 1.00 0.48 N ATOM 846 CA CYS A 53 6.605 -5.533 10.620 1.00 0.56 C ATOM 847 C CYS A 53 5.598 -5.873 11.717 1.00 0.49 C ATOM 848 O CYS A 53 5.189 -5.000 12.483 1.00 0.53 O ATOM 849 CB CYS A 53 5.883 -5.122 9.331 1.00 0.68 C ATOM 850 SG CYS A 53 4.189 -5.742 9.177 1.00 1.29 S ATOM 0 H CYS A 53 7.402 -7.075 9.446 1.00 0.48 H new ATOM 0 HA CYS A 53 7.204 -4.690 10.965 1.00 0.56 H new ATOM 0 HB2 CYS A 53 5.863 -4.034 9.274 1.00 0.68 H new ATOM 0 HB3 CYS A 53 6.463 -5.475 8.478 1.00 0.68 H new ATOM 0 HG CYS A 53 3.351 -4.776 9.407 1.00 1.29 H new ATOM 856 N ALA A 54 5.254 -7.152 11.842 1.00 0.45 N ATOM 857 CA ALA A 54 4.338 -7.592 12.886 1.00 0.52 C ATOM 858 C ALA A 54 5.018 -7.554 14.248 1.00 0.53 C ATOM 859 O ALA A 54 4.383 -7.281 15.266 1.00 0.63 O ATOM 860 CB ALA A 54 3.822 -8.992 12.596 1.00 0.63 C ATOM 0 H ALA A 54 5.595 -7.898 11.235 1.00 0.45 H new ATOM 0 HA ALA A 54 3.490 -6.907 12.901 1.00 0.52 H new ATOM 0 HB1 ALA A 54 3.140 -9.300 13.389 1.00 0.63 H new ATOM 0 HB2 ALA A 54 3.295 -8.995 11.642 1.00 0.63 H new ATOM 0 HB3 ALA A 54 4.661 -9.686 12.549 1.00 0.63 H new ATOM 866 N ARG A 55 6.322 -7.796 14.253 1.00 0.53 N ATOM 867 CA ARG A 55 7.102 -7.767 15.483 1.00 0.66 C ATOM 868 C ARG A 55 7.244 -6.339 16.005 1.00 0.65 C ATOM 869 O ARG A 55 7.526 -6.127 17.183 1.00 0.75 O ATOM 870 CB ARG A 55 8.492 -8.364 15.245 1.00 0.77 C ATOM 871 CG ARG A 55 8.659 -9.763 15.810 1.00 1.38 C ATOM 872 CD ARG A 55 9.390 -9.751 17.146 1.00 1.87 C ATOM 873 NE ARG A 55 10.751 -9.221 17.034 1.00 2.37 N ATOM 874 CZ ARG A 55 11.853 -9.972 17.085 1.00 2.79 C ATOM 875 NH1 ARG A 55 11.762 -11.289 17.223 1.00 2.91 N ATOM 876 NH2 ARG A 55 13.049 -9.405 16.986 1.00 3.58 N ATOM 0 H ARG A 55 6.863 -8.015 13.417 1.00 0.53 H new ATOM 0 HA ARG A 55 6.575 -8.362 16.229 1.00 0.66 H new ATOM 0 HB2 ARG A 55 8.689 -8.389 14.173 1.00 0.77 H new ATOM 0 HB3 ARG A 55 9.240 -7.709 15.692 1.00 0.77 H new ATOM 0 HG2 ARG A 55 7.679 -10.223 15.936 1.00 1.38 H new ATOM 0 HG3 ARG A 55 9.211 -10.378 15.099 1.00 1.38 H new ATOM 0 HD2 ARG A 55 8.827 -9.150 17.860 1.00 1.87 H new ATOM 0 HD3 ARG A 55 9.430 -10.765 17.544 1.00 1.87 H new ATOM 0 HE ARG A 55 10.863 -8.215 16.909 1.00 2.37 H new ATOM 0 HH11 ARG A 55 10.846 -11.733 17.291 1.00 2.91 H new ATOM 0 HH12 ARG A 55 12.608 -11.857 17.261 1.00 2.91 H new ATOM 0 HH21 ARG A 55 13.126 -8.394 16.871 1.00 3.58 H new ATOM 0 HH22 ARG A 55 13.891 -9.980 17.025 1.00 3.58 H new ATOM 890 N LYS A 56 7.152 -5.373 15.101 1.00 0.59 N ATOM 891 CA LYS A 56 7.379 -3.977 15.458 1.00 0.64 C ATOM 892 C LYS A 56 6.071 -3.194 15.558 1.00 0.54 C ATOM 893 O LYS A 56 6.008 -2.167 16.229 1.00 0.67 O ATOM 894 CB LYS A 56 8.311 -3.321 14.440 1.00 0.71 C ATOM 895 CG LYS A 56 9.671 -3.991 14.354 1.00 1.15 C ATOM 896 CD LYS A 56 10.531 -3.371 13.267 1.00 1.46 C ATOM 897 CE LYS A 56 10.935 -4.403 12.229 1.00 2.01 C ATOM 898 NZ LYS A 56 12.131 -5.182 12.646 1.00 2.32 N ATOM 0 H LYS A 56 6.923 -5.528 14.119 1.00 0.59 H new ATOM 0 HA LYS A 56 7.847 -3.959 16.442 1.00 0.64 H new ATOM 0 HB2 LYS A 56 7.839 -3.344 13.458 1.00 0.71 H new ATOM 0 HB3 LYS A 56 8.446 -2.272 14.704 1.00 0.71 H new ATOM 0 HG2 LYS A 56 10.180 -3.907 15.314 1.00 1.15 H new ATOM 0 HG3 LYS A 56 9.541 -5.055 14.154 1.00 1.15 H new ATOM 0 HD2 LYS A 56 9.984 -2.561 12.784 1.00 1.46 H new ATOM 0 HD3 LYS A 56 11.423 -2.931 13.713 1.00 1.46 H new ATOM 0 HE2 LYS A 56 10.103 -5.085 12.054 1.00 2.01 H new ATOM 0 HE3 LYS A 56 11.141 -3.903 11.283 1.00 2.01 H new ATOM 0 HZ1 LYS A 56 12.360 -5.885 11.915 1.00 2.32 H new ATOM 0 HZ2 LYS A 56 12.938 -4.538 12.772 1.00 2.32 H new ATOM 0 HZ3 LYS A 56 11.933 -5.668 13.544 1.00 2.32 H new ATOM 912 N GLY A 57 5.047 -3.656 14.857 1.00 0.48 N ATOM 913 CA GLY A 57 3.775 -2.959 14.851 1.00 0.47 C ATOM 914 C GLY A 57 3.678 -1.975 13.702 1.00 0.51 C ATOM 915 O GLY A 57 3.206 -0.848 13.872 1.00 0.58 O ATOM 0 H GLY A 57 5.073 -4.504 14.290 1.00 0.48 H new ATOM 0 HA2 GLY A 57 2.964 -3.683 14.779 1.00 0.47 H new ATOM 0 HA3 GLY A 57 3.646 -2.429 15.795 1.00 0.47 H new ATOM 919 N THR A 58 4.190 -2.380 12.552 1.00 0.59 N ATOM 920 CA THR A 58 4.232 -1.521 11.381 1.00 0.73 C ATOM 921 C THR A 58 3.216 -1.964 10.334 1.00 0.56 C ATOM 922 O THR A 58 3.021 -3.163 10.110 1.00 0.53 O ATOM 923 CB THR A 58 5.637 -1.534 10.753 1.00 1.06 C ATOM 924 OG1 THR A 58 6.621 -1.766 11.769 1.00 2.01 O ATOM 925 CG2 THR A 58 5.936 -0.224 10.042 1.00 0.61 C ATOM 0 H THR A 58 4.586 -3.308 12.404 1.00 0.59 H new ATOM 0 HA THR A 58 3.985 -0.511 11.709 1.00 0.73 H new ATOM 0 HB THR A 58 5.671 -2.337 10.017 1.00 1.06 H new ATOM 0 HG1 THR A 58 7.513 -1.775 11.364 1.00 2.01 H new ATOM 0 HG21 THR A 58 6.936 -0.265 9.609 1.00 0.61 H new ATOM 0 HG22 THR A 58 5.204 -0.064 9.250 1.00 0.61 H new ATOM 0 HG23 THR A 58 5.883 0.598 10.756 1.00 0.61 H new ATOM 933 N SER A 59 2.637 -0.997 9.638 1.00 0.55 N ATOM 934 CA SER A 59 1.736 -1.282 8.531 1.00 0.50 C ATOM 935 C SER A 59 2.543 -1.598 7.279 1.00 0.44 C ATOM 936 O SER A 59 3.562 -0.960 7.028 1.00 0.43 O ATOM 937 CB SER A 59 0.817 -0.084 8.285 1.00 0.61 C ATOM 938 OG SER A 59 0.648 0.686 9.465 1.00 0.72 O ATOM 0 H SER A 59 2.776 -0.003 9.821 1.00 0.55 H new ATOM 0 HA SER A 59 1.121 -2.147 8.780 1.00 0.50 H new ATOM 0 HB2 SER A 59 1.235 0.542 7.496 1.00 0.61 H new ATOM 0 HB3 SER A 59 -0.154 -0.434 7.934 1.00 0.61 H new ATOM 0 HG SER A 59 0.058 1.446 9.278 1.00 0.72 H new ATOM 944 N ILE A 60 2.124 -2.626 6.542 1.00 0.46 N ATOM 945 CA ILE A 60 2.845 -3.082 5.349 1.00 0.50 C ATOM 946 C ILE A 60 3.228 -1.914 4.442 1.00 0.47 C ATOM 947 O ILE A 60 4.390 -1.770 4.058 1.00 0.50 O ATOM 948 CB ILE A 60 2.004 -4.102 4.545 1.00 0.61 C ATOM 949 CG1 ILE A 60 1.883 -5.423 5.310 1.00 0.99 C ATOM 950 CG2 ILE A 60 2.607 -4.343 3.166 1.00 1.01 C ATOM 951 CD1 ILE A 60 3.213 -6.076 5.626 1.00 0.96 C ATOM 0 H ILE A 60 1.283 -3.164 6.751 1.00 0.46 H new ATOM 0 HA ILE A 60 3.757 -3.566 5.698 1.00 0.50 H new ATOM 0 HB ILE A 60 1.007 -3.683 4.412 1.00 0.61 H new ATOM 0 HG12 ILE A 60 1.347 -5.243 6.242 1.00 0.99 H new ATOM 0 HG13 ILE A 60 1.280 -6.116 4.724 1.00 0.99 H new ATOM 0 HG21 ILE A 60 1.996 -5.064 2.623 1.00 1.01 H new ATOM 0 HG22 ILE A 60 2.638 -3.404 2.613 1.00 1.01 H new ATOM 0 HG23 ILE A 60 3.619 -4.734 3.275 1.00 1.01 H new ATOM 0 HD11 ILE A 60 3.042 -7.006 6.168 1.00 0.96 H new ATOM 0 HD12 ILE A 60 3.743 -6.289 4.698 1.00 0.96 H new ATOM 0 HD13 ILE A 60 3.812 -5.403 6.239 1.00 0.96 H new ATOM 963 N THR A 61 2.249 -1.075 4.128 1.00 0.45 N ATOM 964 CA THR A 61 2.471 0.078 3.267 1.00 0.45 C ATOM 965 C THR A 61 3.490 1.046 3.873 1.00 0.42 C ATOM 966 O THR A 61 4.356 1.579 3.172 1.00 0.41 O ATOM 967 CB THR A 61 1.147 0.822 3.023 1.00 0.51 C ATOM 968 OG1 THR A 61 0.042 -0.055 3.297 1.00 0.68 O ATOM 969 CG2 THR A 61 1.060 1.327 1.594 1.00 0.77 C ATOM 0 H THR A 61 1.289 -1.173 4.459 1.00 0.45 H new ATOM 0 HA THR A 61 2.867 -0.292 2.321 1.00 0.45 H new ATOM 0 HB THR A 61 1.108 1.682 3.692 1.00 0.51 H new ATOM 0 HG1 THR A 61 -0.800 0.422 3.143 1.00 0.68 H new ATOM 0 HG21 THR A 61 0.114 1.849 1.449 1.00 0.77 H new ATOM 0 HG22 THR A 61 1.886 2.012 1.399 1.00 0.77 H new ATOM 0 HG23 THR A 61 1.118 0.484 0.906 1.00 0.77 H new ATOM 977 N ASP A 62 3.388 1.243 5.185 1.00 0.42 N ATOM 978 CA ASP A 62 4.276 2.148 5.912 1.00 0.42 C ATOM 979 C ASP A 62 5.725 1.684 5.835 1.00 0.36 C ATOM 980 O ASP A 62 6.635 2.499 5.686 1.00 0.35 O ATOM 981 CB ASP A 62 3.848 2.254 7.377 1.00 0.47 C ATOM 982 CG ASP A 62 4.068 3.640 7.943 1.00 0.61 C ATOM 983 OD1 ASP A 62 3.159 4.490 7.816 1.00 1.06 O ATOM 984 OD2 ASP A 62 5.142 3.885 8.534 1.00 0.92 O ATOM 0 H ASP A 62 2.692 0.783 5.772 1.00 0.42 H new ATOM 0 HA ASP A 62 4.203 3.129 5.442 1.00 0.42 H new ATOM 0 HB2 ASP A 62 2.794 1.992 7.465 1.00 0.47 H new ATOM 0 HB3 ASP A 62 4.407 1.530 7.969 1.00 0.47 H new ATOM 989 N VAL A 63 5.933 0.371 5.917 1.00 0.34 N ATOM 990 CA VAL A 63 7.277 -0.194 5.839 1.00 0.32 C ATOM 991 C VAL A 63 7.950 0.196 4.529 1.00 0.31 C ATOM 992 O VAL A 63 9.063 0.715 4.529 1.00 0.35 O ATOM 993 CB VAL A 63 7.284 -1.736 5.957 1.00 0.36 C ATOM 994 CG1 VAL A 63 8.690 -2.244 6.227 1.00 0.68 C ATOM 995 CG2 VAL A 63 6.335 -2.208 7.044 1.00 0.66 C ATOM 0 H VAL A 63 5.191 -0.318 6.037 1.00 0.34 H new ATOM 0 HA VAL A 63 7.827 0.217 6.686 1.00 0.32 H new ATOM 0 HB VAL A 63 6.940 -2.145 5.007 1.00 0.36 H new ATOM 0 HG11 VAL A 63 8.675 -3.331 6.307 1.00 0.68 H new ATOM 0 HG12 VAL A 63 9.347 -1.949 5.409 1.00 0.68 H new ATOM 0 HG13 VAL A 63 9.058 -1.817 7.160 1.00 0.68 H new ATOM 0 HG21 VAL A 63 6.362 -3.296 7.103 1.00 0.66 H new ATOM 0 HG22 VAL A 63 6.639 -1.785 8.001 1.00 0.66 H new ATOM 0 HG23 VAL A 63 5.322 -1.882 6.809 1.00 0.66 H new ATOM 1005 N VAL A 64 7.245 -0.014 3.419 1.00 0.29 N ATOM 1006 CA VAL A 64 7.772 0.334 2.099 1.00 0.29 C ATOM 1007 C VAL A 64 8.168 1.803 2.035 1.00 0.31 C ATOM 1008 O VAL A 64 9.284 2.136 1.640 1.00 0.34 O ATOM 1009 CB VAL A 64 6.760 0.051 0.968 1.00 0.31 C ATOM 1010 CG1 VAL A 64 7.482 -0.122 -0.359 1.00 0.33 C ATOM 1011 CG2 VAL A 64 5.918 -1.175 1.281 1.00 0.38 C ATOM 0 H VAL A 64 6.310 -0.422 3.406 1.00 0.29 H new ATOM 0 HA VAL A 64 8.649 -0.297 1.951 1.00 0.29 H new ATOM 0 HB VAL A 64 6.090 0.908 0.891 1.00 0.31 H new ATOM 0 HG11 VAL A 64 6.754 -0.321 -1.146 1.00 0.33 H new ATOM 0 HG12 VAL A 64 8.032 0.789 -0.595 1.00 0.33 H new ATOM 0 HG13 VAL A 64 8.178 -0.958 -0.288 1.00 0.33 H new ATOM 0 HG21 VAL A 64 5.214 -1.350 0.467 1.00 0.38 H new ATOM 0 HG22 VAL A 64 6.567 -2.043 1.393 1.00 0.38 H new ATOM 0 HG23 VAL A 64 5.368 -1.012 2.208 1.00 0.38 H new ATOM 1021 N ASN A 65 7.253 2.674 2.448 1.00 0.32 N ATOM 1022 CA ASN A 65 7.496 4.115 2.438 1.00 0.35 C ATOM 1023 C ASN A 65 8.718 4.474 3.275 1.00 0.38 C ATOM 1024 O ASN A 65 9.533 5.311 2.878 1.00 0.40 O ATOM 1025 CB ASN A 65 6.271 4.865 2.963 1.00 0.40 C ATOM 1026 CG ASN A 65 5.849 5.996 2.048 1.00 0.48 C ATOM 1027 OD1 ASN A 65 6.657 6.847 1.675 1.00 0.91 O ATOM 1028 ND2 ASN A 65 4.575 6.020 1.687 1.00 0.48 N ATOM 0 H ASN A 65 6.332 2.407 2.796 1.00 0.32 H new ATOM 0 HA ASN A 65 7.686 4.413 1.407 1.00 0.35 H new ATOM 0 HB2 ASN A 65 5.442 4.166 3.078 1.00 0.40 H new ATOM 0 HB3 ASN A 65 6.490 5.265 3.953 1.00 0.40 H new ATOM 0 HD21 ASN A 65 4.231 6.763 1.078 1.00 0.48 H new ATOM 0 HD22 ASN A 65 3.937 5.296 2.018 1.00 0.48 H new ATOM 1035 N GLN A 66 8.853 3.808 4.414 1.00 0.39 N ATOM 1036 CA GLN A 66 9.970 4.038 5.318 1.00 0.42 C ATOM 1037 C GLN A 66 11.293 3.629 4.680 1.00 0.40 C ATOM 1038 O GLN A 66 12.293 4.338 4.797 1.00 0.44 O ATOM 1039 CB GLN A 66 9.763 3.258 6.613 1.00 0.44 C ATOM 1040 CG GLN A 66 8.889 3.974 7.626 1.00 0.87 C ATOM 1041 CD GLN A 66 8.812 3.237 8.945 1.00 1.45 C ATOM 1042 OE1 GLN A 66 9.835 2.845 9.513 1.00 2.20 O ATOM 1043 NE2 GLN A 66 7.602 3.030 9.435 1.00 1.61 N ATOM 0 H GLN A 66 8.195 3.098 4.735 1.00 0.39 H new ATOM 0 HA GLN A 66 10.010 5.105 5.535 1.00 0.42 H new ATOM 0 HB2 GLN A 66 9.314 2.293 6.377 1.00 0.44 H new ATOM 0 HB3 GLN A 66 10.735 3.056 7.064 1.00 0.44 H new ATOM 0 HG2 GLN A 66 9.281 4.977 7.796 1.00 0.87 H new ATOM 0 HG3 GLN A 66 7.885 4.089 7.218 1.00 0.87 H new ATOM 0 HE21 GLN A 66 6.783 3.372 8.932 1.00 1.61 H new ATOM 0 HE22 GLN A 66 7.487 2.529 10.316 1.00 1.61 H new ATOM 1052 N LEU A 67 11.304 2.462 4.048 1.00 0.36 N ATOM 1053 CA LEU A 67 12.527 1.935 3.446 1.00 0.35 C ATOM 1054 C LEU A 67 12.896 2.725 2.200 1.00 0.31 C ATOM 1055 O LEU A 67 14.065 3.041 1.990 1.00 0.32 O ATOM 1056 CB LEU A 67 12.374 0.449 3.120 1.00 0.38 C ATOM 1057 CG LEU A 67 11.707 -0.372 4.217 1.00 0.63 C ATOM 1058 CD1 LEU A 67 11.677 -1.845 3.848 1.00 1.04 C ATOM 1059 CD2 LEU A 67 12.410 -0.159 5.550 1.00 1.01 C ATOM 0 H LEU A 67 10.485 1.863 3.938 1.00 0.36 H new ATOM 0 HA LEU A 67 13.336 2.042 4.169 1.00 0.35 H new ATOM 0 HB2 LEU A 67 11.792 0.349 2.204 1.00 0.38 H new ATOM 0 HB3 LEU A 67 13.360 0.030 2.919 1.00 0.38 H new ATOM 0 HG LEU A 67 10.677 -0.031 4.319 1.00 0.63 H new ATOM 0 HD11 LEU A 67 11.196 -2.410 4.646 1.00 1.04 H new ATOM 0 HD12 LEU A 67 11.117 -1.977 2.922 1.00 1.04 H new ATOM 0 HD13 LEU A 67 12.696 -2.206 3.710 1.00 1.04 H new ATOM 0 HD21 LEU A 67 11.918 -0.754 6.320 1.00 1.01 H new ATOM 0 HD22 LEU A 67 13.452 -0.466 5.465 1.00 1.01 H new ATOM 0 HD23 LEU A 67 12.363 0.896 5.822 1.00 1.01 H new ATOM 1071 N VAL A 68 11.882 3.149 1.448 1.00 0.29 N ATOM 1072 CA VAL A 68 12.097 4.029 0.305 1.00 0.28 C ATOM 1073 C VAL A 68 12.750 5.317 0.780 1.00 0.30 C ATOM 1074 O VAL A 68 13.731 5.784 0.203 1.00 0.32 O ATOM 1075 CB VAL A 68 10.774 4.357 -0.429 1.00 0.28 C ATOM 1076 CG1 VAL A 68 10.967 5.497 -1.418 1.00 0.81 C ATOM 1077 CG2 VAL A 68 10.234 3.128 -1.141 1.00 0.69 C ATOM 0 H VAL A 68 10.907 2.897 1.610 1.00 0.29 H new ATOM 0 HA VAL A 68 12.747 3.512 -0.401 1.00 0.28 H new ATOM 0 HB VAL A 68 10.047 4.672 0.319 1.00 0.28 H new ATOM 0 HG11 VAL A 68 10.022 5.707 -1.920 1.00 0.81 H new ATOM 0 HG12 VAL A 68 11.301 6.388 -0.886 1.00 0.81 H new ATOM 0 HG13 VAL A 68 11.716 5.214 -2.158 1.00 0.81 H new ATOM 0 HG21 VAL A 68 9.304 3.382 -1.650 1.00 0.69 H new ATOM 0 HG22 VAL A 68 10.964 2.780 -1.872 1.00 0.69 H new ATOM 0 HG23 VAL A 68 10.046 2.339 -0.413 1.00 0.69 H new ATOM 1087 N ASP A 69 12.257 5.815 1.905 1.00 0.33 N ATOM 1088 CA ASP A 69 12.813 7.002 2.536 1.00 0.39 C ATOM 1089 C ASP A 69 14.264 6.781 2.933 1.00 0.36 C ATOM 1090 O ASP A 69 15.127 7.610 2.655 1.00 0.37 O ATOM 1091 CB ASP A 69 12.005 7.364 3.781 1.00 0.50 C ATOM 1092 CG ASP A 69 11.290 8.686 3.655 1.00 0.74 C ATOM 1093 OD1 ASP A 69 11.896 9.654 3.162 1.00 1.33 O ATOM 1094 OD2 ASP A 69 10.111 8.762 4.052 1.00 1.11 O ATOM 0 H ASP A 69 11.465 5.410 2.403 1.00 0.33 H new ATOM 0 HA ASP A 69 12.764 7.817 1.814 1.00 0.39 H new ATOM 0 HB2 ASP A 69 11.274 6.579 3.974 1.00 0.50 H new ATOM 0 HB3 ASP A 69 12.671 7.398 4.643 1.00 0.50 H new ATOM 1099 N ASN A 70 14.516 5.675 3.630 1.00 0.35 N ATOM 1100 CA ASN A 70 15.853 5.376 4.136 1.00 0.37 C ATOM 1101 C ASN A 70 16.852 5.204 2.999 1.00 0.33 C ATOM 1102 O ASN A 70 17.922 5.813 3.007 1.00 0.40 O ATOM 1103 CB ASN A 70 15.831 4.123 5.011 1.00 0.44 C ATOM 1104 CG ASN A 70 16.362 4.395 6.406 1.00 0.89 C ATOM 1105 OD1 ASN A 70 17.431 4.980 6.571 1.00 0.95 O ATOM 1106 ND2 ASN A 70 15.616 3.984 7.420 1.00 1.69 N ATOM 0 H ASN A 70 13.813 4.972 3.857 1.00 0.35 H new ATOM 0 HA ASN A 70 16.172 6.224 4.742 1.00 0.37 H new ATOM 0 HB2 ASN A 70 14.811 3.746 5.079 1.00 0.44 H new ATOM 0 HB3 ASN A 70 16.429 3.342 4.541 1.00 0.44 H new ATOM 0 HD21 ASN A 70 15.923 4.150 8.379 1.00 1.69 H new ATOM 0 HD22 ASN A 70 14.735 3.502 7.242 1.00 1.69 H new ATOM 1113 N TRP A 71 16.476 4.420 1.996 1.00 0.30 N ATOM 1114 CA TRP A 71 17.325 4.211 0.829 1.00 0.36 C ATOM 1115 C TRP A 71 17.587 5.529 0.116 1.00 0.35 C ATOM 1116 O TRP A 71 18.724 5.844 -0.234 1.00 0.40 O ATOM 1117 CB TRP A 71 16.667 3.225 -0.136 1.00 0.42 C ATOM 1118 CG TRP A 71 17.560 2.776 -1.253 1.00 0.52 C ATOM 1119 CD1 TRP A 71 18.535 1.824 -1.189 1.00 0.63 C ATOM 1120 CD2 TRP A 71 17.546 3.244 -2.609 1.00 0.58 C ATOM 1121 NE1 TRP A 71 19.148 1.699 -2.410 1.00 0.72 N ATOM 1122 CE2 TRP A 71 18.559 2.553 -3.297 1.00 0.68 C ATOM 1123 CE3 TRP A 71 16.787 4.190 -3.303 1.00 0.62 C ATOM 1124 CZ2 TRP A 71 18.829 2.768 -4.644 1.00 0.77 C ATOM 1125 CZ3 TRP A 71 17.054 4.402 -4.645 1.00 0.73 C ATOM 1126 CH2 TRP A 71 18.071 3.695 -5.303 1.00 0.77 C ATOM 0 H TRP A 71 15.588 3.918 1.967 1.00 0.30 H new ATOM 0 HA TRP A 71 18.275 3.799 1.168 1.00 0.36 H new ATOM 0 HB2 TRP A 71 16.336 2.351 0.424 1.00 0.42 H new ATOM 0 HB3 TRP A 71 15.776 3.688 -0.561 1.00 0.42 H new ATOM 0 HD1 TRP A 71 18.787 1.253 -0.308 1.00 0.63 H new ATOM 0 HE1 TRP A 71 19.921 1.068 -2.621 1.00 0.72 H new ATOM 0 HE3 TRP A 71 16.007 4.745 -2.802 1.00 0.62 H new ATOM 0 HZ2 TRP A 71 19.610 2.222 -5.152 1.00 0.77 H new ATOM 0 HZ3 TRP A 71 16.469 5.124 -5.195 1.00 0.73 H new ATOM 0 HH2 TRP A 71 18.259 3.887 -6.349 1.00 0.77 H new ATOM 1137 N LEU A 72 16.524 6.287 -0.106 1.00 0.36 N ATOM 1138 CA LEU A 72 16.620 7.554 -0.810 1.00 0.42 C ATOM 1139 C LEU A 72 17.514 8.536 -0.069 1.00 0.49 C ATOM 1140 O LEU A 72 18.218 9.322 -0.688 1.00 0.61 O ATOM 1141 CB LEU A 72 15.232 8.164 -0.999 1.00 0.45 C ATOM 1142 CG LEU A 72 14.639 8.006 -2.400 1.00 0.42 C ATOM 1143 CD1 LEU A 72 13.298 8.713 -2.490 1.00 1.23 C ATOM 1144 CD2 LEU A 72 15.598 8.542 -3.451 1.00 1.38 C ATOM 0 H LEU A 72 15.580 6.044 0.194 1.00 0.36 H new ATOM 0 HA LEU A 72 17.065 7.355 -1.785 1.00 0.42 H new ATOM 0 HB2 LEU A 72 14.551 7.709 -0.280 1.00 0.45 H new ATOM 0 HB3 LEU A 72 15.284 9.226 -0.761 1.00 0.45 H new ATOM 0 HG LEU A 72 14.483 6.944 -2.591 1.00 0.42 H new ATOM 0 HD11 LEU A 72 12.889 8.591 -3.493 1.00 1.23 H new ATOM 0 HD12 LEU A 72 12.610 8.282 -1.763 1.00 1.23 H new ATOM 0 HD13 LEU A 72 13.431 9.774 -2.279 1.00 1.23 H new ATOM 0 HD21 LEU A 72 15.158 8.421 -4.441 1.00 1.38 H new ATOM 0 HD22 LEU A 72 15.787 9.599 -3.265 1.00 1.38 H new ATOM 0 HD23 LEU A 72 16.537 7.991 -3.401 1.00 1.38 H new ATOM 1156 N LYS A 73 17.422 8.549 1.251 1.00 0.51 N ATOM 1157 CA LYS A 73 18.165 9.513 2.048 1.00 0.64 C ATOM 1158 C LYS A 73 19.629 9.106 2.208 1.00 0.63 C ATOM 1159 O LYS A 73 20.515 9.959 2.244 1.00 0.74 O ATOM 1160 CB LYS A 73 17.510 9.685 3.421 1.00 0.82 C ATOM 1161 CG LYS A 73 16.417 10.742 3.440 1.00 0.97 C ATOM 1162 CD LYS A 73 15.294 10.371 4.393 1.00 1.32 C ATOM 1163 CE LYS A 73 14.403 11.564 4.698 1.00 1.19 C ATOM 1164 NZ LYS A 73 13.005 11.156 4.996 1.00 1.42 N ATOM 0 H LYS A 73 16.843 7.906 1.792 1.00 0.51 H new ATOM 0 HA LYS A 73 18.142 10.466 1.519 1.00 0.64 H new ATOM 0 HB2 LYS A 73 17.088 8.731 3.736 1.00 0.82 H new ATOM 0 HB3 LYS A 73 18.276 9.951 4.150 1.00 0.82 H new ATOM 0 HG2 LYS A 73 16.843 11.701 3.735 1.00 0.97 H new ATOM 0 HG3 LYS A 73 16.015 10.868 2.435 1.00 0.97 H new ATOM 0 HD2 LYS A 73 14.696 9.571 3.957 1.00 1.32 H new ATOM 0 HD3 LYS A 73 15.716 9.984 5.321 1.00 1.32 H new ATOM 0 HE2 LYS A 73 14.809 12.112 5.548 1.00 1.19 H new ATOM 0 HE3 LYS A 73 14.408 12.246 3.848 1.00 1.19 H new ATOM 0 HZ1 LYS A 73 12.462 11.984 5.313 1.00 1.42 H new ATOM 0 HZ2 LYS A 73 12.568 10.763 4.138 1.00 1.42 H new ATOM 0 HZ3 LYS A 73 13.006 10.435 5.746 1.00 1.42 H new ATOM 1178 N GLU A 74 19.874 7.814 2.383 1.00 0.60 N ATOM 1179 CA GLU A 74 21.223 7.331 2.661 1.00 0.77 C ATOM 1180 C GLU A 74 22.041 7.125 1.388 1.00 0.85 C ATOM 1181 O GLU A 74 23.258 7.309 1.392 1.00 1.00 O ATOM 1182 CB GLU A 74 21.172 6.026 3.459 1.00 0.93 C ATOM 1183 CG GLU A 74 20.687 6.201 4.892 1.00 1.00 C ATOM 1184 CD GLU A 74 21.490 7.225 5.672 1.00 1.39 C ATOM 1185 OE1 GLU A 74 22.601 7.579 5.223 1.00 2.41 O ATOM 1186 OE2 GLU A 74 21.019 7.690 6.733 1.00 1.30 O ATOM 0 H GLU A 74 19.162 7.085 2.338 1.00 0.60 H new ATOM 0 HA GLU A 74 21.718 8.102 3.251 1.00 0.77 H new ATOM 0 HB2 GLU A 74 20.516 5.323 2.946 1.00 0.93 H new ATOM 0 HB3 GLU A 74 22.167 5.581 3.474 1.00 0.93 H new ATOM 0 HG2 GLU A 74 19.639 6.502 4.880 1.00 1.00 H new ATOM 0 HG3 GLU A 74 20.737 5.241 5.406 1.00 1.00 H new ATOM 1193 N ASN A 75 21.393 6.689 0.316 1.00 0.95 N ATOM 1194 CA ASN A 75 22.106 6.404 -0.931 1.00 1.20 C ATOM 1195 C ASN A 75 22.223 7.661 -1.793 1.00 1.20 C ATOM 1196 O ASN A 75 23.008 7.702 -2.741 1.00 1.32 O ATOM 1197 CB ASN A 75 21.431 5.250 -1.692 1.00 1.49 C ATOM 1198 CG ASN A 75 20.750 5.669 -2.984 1.00 1.22 C ATOM 1199 OD1 ASN A 75 21.363 5.701 -4.052 1.00 1.55 O ATOM 1200 ND2 ASN A 75 19.472 5.976 -2.898 1.00 0.88 N ATOM 0 H ASN A 75 20.387 6.525 0.280 1.00 0.95 H new ATOM 0 HA ASN A 75 23.119 6.086 -0.684 1.00 1.20 H new ATOM 0 HB2 ASN A 75 22.181 4.492 -1.919 1.00 1.49 H new ATOM 0 HB3 ASN A 75 20.693 4.783 -1.040 1.00 1.49 H new ATOM 0 HD21 ASN A 75 18.956 6.252 -3.734 1.00 0.88 H new ATOM 0 HD22 ASN A 75 18.998 5.938 -1.996 1.00 0.88 H new ATOM 1207 N GLU A 76 21.564 8.729 -1.362 1.00 1.19 N ATOM 1208 CA GLU A 76 21.714 10.024 -2.012 1.00 1.36 C ATOM 1209 C GLU A 76 23.004 10.686 -1.548 1.00 1.69 C ATOM 1210 O GLU A 76 23.710 11.274 -2.388 1.00 2.16 O ATOM 1211 CB GLU A 76 20.526 10.932 -1.696 1.00 1.69 C ATOM 1212 CG GLU A 76 19.599 11.166 -2.877 1.00 1.63 C ATOM 1213 CD GLU A 76 18.796 12.444 -2.744 1.00 2.07 C ATOM 1214 OE1 GLU A 76 18.166 12.656 -1.686 1.00 2.17 O ATOM 1215 OE2 GLU A 76 18.797 13.250 -3.697 1.00 2.92 O ATOM 1216 OXT GLU A 76 23.310 10.604 -0.337 1.00 2.16 O ATOM 0 H GLU A 76 20.923 8.724 -0.568 1.00 1.19 H new ATOM 0 HA GLU A 76 21.751 9.866 -3.090 1.00 1.36 H new ATOM 0 HB2 GLU A 76 19.954 10.494 -0.879 1.00 1.69 H new ATOM 0 HB3 GLU A 76 20.900 11.893 -1.344 1.00 1.69 H new ATOM 0 HG2 GLU A 76 20.187 11.205 -3.794 1.00 1.63 H new ATOM 0 HG3 GLU A 76 18.917 10.321 -2.972 1.00 1.63 H new TER 1223 GLU A 76 ATOM 1224 N MET B 1 42.608 -76.522 14.316 1.00 49.72 N ATOM 1225 CA MET B 1 43.527 -76.093 13.241 1.00 50.01 C ATOM 1226 C MET B 1 44.953 -76.496 13.583 1.00 50.09 C ATOM 1227 O MET B 1 45.290 -76.656 14.753 1.00 50.14 O ATOM 1228 CB MET B 1 43.426 -74.574 13.087 1.00 49.83 C ATOM 1229 CG MET B 1 42.970 -74.124 11.708 1.00 50.16 C ATOM 1230 SD MET B 1 42.985 -72.326 11.526 1.00 50.63 S ATOM 1231 CE MET B 1 41.606 -71.870 12.576 1.00 50.90 C ATOM 0 H1 MET B 1 41.708 -76.008 14.229 1.00 49.72 H new ATOM 0 H2 MET B 1 42.433 -77.544 14.236 1.00 49.72 H new ATOM 0 H3 MET B 1 43.036 -76.316 15.241 1.00 49.72 H new ATOM 0 HA MET B 1 43.252 -76.575 12.303 1.00 50.01 H new ATOM 0 HB2 MET B 1 42.731 -74.188 13.833 1.00 49.83 H new ATOM 0 HB3 MET B 1 44.399 -74.131 13.300 1.00 49.83 H new ATOM 0 HG2 MET B 1 43.618 -74.568 10.952 1.00 50.16 H new ATOM 0 HG3 MET B 1 41.962 -74.496 11.523 1.00 50.16 H new ATOM 0 HE1 MET B 1 41.361 -70.819 12.420 1.00 50.90 H new ATOM 0 HE2 MET B 1 40.741 -72.485 12.328 1.00 50.90 H new ATOM 0 HE3 MET B 1 41.876 -72.028 13.620 1.00 50.90 H new ATOM 1243 N SER B 2 45.785 -76.659 12.567 1.00 50.14 N ATOM 1244 CA SER B 2 47.180 -77.010 12.776 1.00 50.28 C ATOM 1245 C SER B 2 48.082 -75.966 12.136 1.00 49.60 C ATOM 1246 O SER B 2 47.676 -75.306 11.174 1.00 49.19 O ATOM 1247 CB SER B 2 47.470 -78.395 12.198 1.00 50.63 C ATOM 1248 OG SER B 2 46.421 -79.301 12.501 1.00 50.88 O ATOM 0 H SER B 2 45.518 -76.554 11.588 1.00 50.14 H new ATOM 0 HA SER B 2 47.381 -77.035 13.847 1.00 50.28 H new ATOM 0 HB2 SER B 2 47.593 -78.324 11.117 1.00 50.63 H new ATOM 0 HB3 SER B 2 48.410 -78.772 12.602 1.00 50.63 H new ATOM 0 HG SER B 2 46.628 -80.180 12.120 1.00 50.88 H new ATOM 1254 N LEU B 3 49.263 -75.777 12.725 1.00 49.51 N ATOM 1255 CA LEU B 3 50.233 -74.775 12.281 1.00 48.94 C ATOM 1256 C LEU B 3 49.764 -73.363 12.632 1.00 48.22 C ATOM 1257 O LEU B 3 50.309 -72.734 13.542 1.00 48.18 O ATOM 1258 CB LEU B 3 50.504 -74.886 10.776 1.00 48.75 C ATOM 1259 CG LEU B 3 51.934 -75.269 10.398 1.00 48.99 C ATOM 1260 CD1 LEU B 3 51.947 -76.029 9.080 1.00 49.26 C ATOM 1261 CD2 LEU B 3 52.811 -74.026 10.313 1.00 48.96 C ATOM 0 H LEU B 3 49.576 -76.319 13.530 1.00 49.51 H new ATOM 0 HA LEU B 3 51.166 -74.971 12.809 1.00 48.94 H new ATOM 0 HB2 LEU B 3 49.823 -75.626 10.354 1.00 48.75 H new ATOM 0 HB3 LEU B 3 50.265 -73.931 10.309 1.00 48.75 H new ATOM 0 HG LEU B 3 52.338 -75.920 11.173 1.00 48.99 H new ATOM 0 HD11 LEU B 3 52.972 -76.295 8.824 1.00 49.26 H new ATOM 0 HD12 LEU B 3 51.350 -76.936 9.177 1.00 49.26 H new ATOM 0 HD13 LEU B 3 51.528 -75.401 8.294 1.00 49.26 H new ATOM 0 HD21 LEU B 3 53.827 -74.315 10.043 1.00 48.96 H new ATOM 0 HD22 LEU B 3 52.412 -73.351 9.556 1.00 48.96 H new ATOM 0 HD23 LEU B 3 52.822 -73.522 11.279 1.00 48.96 H new ATOM 1273 N GLU B 4 48.751 -72.882 11.910 1.00 47.69 N ATOM 1274 CA GLU B 4 48.191 -71.549 12.127 1.00 46.99 C ATOM 1275 C GLU B 4 49.292 -70.493 12.072 1.00 46.41 C ATOM 1276 O GLU B 4 49.476 -69.722 13.013 1.00 46.09 O ATOM 1277 CB GLU B 4 47.450 -71.482 13.468 1.00 47.08 C ATOM 1278 CG GLU B 4 46.414 -72.582 13.652 1.00 47.35 C ATOM 1279 CD GLU B 4 45.994 -72.752 15.098 1.00 47.87 C ATOM 1280 OE1 GLU B 4 45.661 -71.738 15.749 1.00 47.70 O ATOM 1281 OE2 GLU B 4 46.002 -73.895 15.595 1.00 48.48 O ATOM 0 H GLU B 4 48.297 -73.404 11.161 1.00 47.69 H new ATOM 0 HA GLU B 4 47.475 -71.346 11.331 1.00 46.99 H new ATOM 0 HB2 GLU B 4 48.177 -71.541 14.278 1.00 47.08 H new ATOM 0 HB3 GLU B 4 46.957 -70.513 13.552 1.00 47.08 H new ATOM 0 HG2 GLU B 4 45.536 -72.354 13.047 1.00 47.35 H new ATOM 0 HG3 GLU B 4 46.820 -73.524 13.282 1.00 47.35 H new ATOM 1288 N LYS B 5 50.102 -70.555 11.028 1.00 46.34 N ATOM 1289 CA LYS B 5 51.261 -69.681 10.916 1.00 45.89 C ATOM 1290 C LYS B 5 51.396 -69.115 9.511 1.00 45.32 C ATOM 1291 O LYS B 5 52.345 -68.394 9.214 1.00 45.40 O ATOM 1292 CB LYS B 5 52.531 -70.443 11.294 1.00 46.20 C ATOM 1293 CG LYS B 5 52.790 -70.485 12.788 1.00 46.45 C ATOM 1294 CD LYS B 5 54.065 -71.243 13.117 1.00 47.12 C ATOM 1295 CE LYS B 5 54.690 -70.734 14.403 1.00 47.36 C ATOM 1296 NZ LYS B 5 55.201 -71.840 15.253 1.00 47.29 N ATOM 0 H LYS B 5 49.980 -71.199 10.247 1.00 46.34 H new ATOM 0 HA LYS B 5 51.119 -68.847 11.604 1.00 45.89 H new ATOM 0 HB2 LYS B 5 52.459 -71.463 10.917 1.00 46.20 H new ATOM 0 HB3 LYS B 5 53.384 -69.980 10.798 1.00 46.20 H new ATOM 0 HG2 LYS B 5 52.862 -69.468 13.173 1.00 46.45 H new ATOM 0 HG3 LYS B 5 51.946 -70.958 13.290 1.00 46.45 H new ATOM 0 HD2 LYS B 5 53.845 -72.306 13.213 1.00 47.12 H new ATOM 0 HD3 LYS B 5 54.776 -71.137 12.297 1.00 47.12 H new ATOM 0 HE2 LYS B 5 55.508 -70.054 14.164 1.00 47.36 H new ATOM 0 HE3 LYS B 5 53.951 -70.160 14.962 1.00 47.36 H new ATOM 0 HZ1 LYS B 5 55.619 -71.447 16.120 1.00 47.29 H new ATOM 0 HZ2 LYS B 5 54.417 -72.476 15.504 1.00 47.29 H new ATOM 0 HZ3 LYS B 5 55.925 -72.373 14.731 1.00 47.29 H new ATOM 1310 N ALA B 6 50.455 -69.453 8.642 1.00 44.78 N ATOM 1311 CA ALA B 6 50.496 -68.987 7.266 1.00 44.24 C ATOM 1312 C ALA B 6 49.349 -68.025 6.987 1.00 43.74 C ATOM 1313 O ALA B 6 48.963 -67.819 5.838 1.00 43.85 O ATOM 1314 CB ALA B 6 50.450 -70.167 6.310 1.00 44.52 C ATOM 0 H ALA B 6 49.656 -70.047 8.865 1.00 44.78 H new ATOM 0 HA ALA B 6 51.432 -68.450 7.111 1.00 44.24 H new ATOM 0 HB1 ALA B 6 50.481 -69.804 5.283 1.00 44.52 H new ATOM 0 HB2 ALA B 6 51.306 -70.816 6.492 1.00 44.52 H new ATOM 0 HB3 ALA B 6 49.529 -70.728 6.469 1.00 44.52 H new ATOM 1320 N HIS B 7 48.805 -67.438 8.041 1.00 43.26 N ATOM 1321 CA HIS B 7 47.711 -66.490 7.903 1.00 42.80 C ATOM 1322 C HIS B 7 48.013 -65.227 8.697 1.00 42.47 C ATOM 1323 O HIS B 7 47.111 -64.552 9.196 1.00 42.04 O ATOM 1324 CB HIS B 7 46.394 -67.118 8.370 1.00 42.48 C ATOM 1325 CG HIS B 7 45.654 -67.828 7.278 1.00 42.63 C ATOM 1326 ND1 HIS B 7 45.091 -69.078 7.431 1.00 42.29 N ATOM 1327 CD2 HIS B 7 45.391 -67.461 6.001 1.00 43.14 C ATOM 1328 CE1 HIS B 7 44.520 -69.445 6.302 1.00 42.58 C ATOM 1329 NE2 HIS B 7 44.687 -68.483 5.420 1.00 43.10 N ATOM 0 H HIS B 7 49.104 -67.602 9.003 1.00 43.26 H new ATOM 0 HA HIS B 7 47.607 -66.225 6.851 1.00 42.80 H new ATOM 0 HB2 HIS B 7 46.601 -67.822 9.176 1.00 42.48 H new ATOM 0 HB3 HIS B 7 45.755 -66.338 8.785 1.00 42.48 H new ATOM 0 HD2 HIS B 7 45.682 -66.535 5.528 1.00 43.14 H new ATOM 0 HE1 HIS B 7 44.003 -70.377 6.130 1.00 42.58 H new ATOM 0 HE2 HIS B 7 44.347 -68.496 4.458 1.00 43.10 H new ATOM 1338 N THR B 8 49.297 -64.940 8.845 1.00 42.72 N ATOM 1339 CA THR B 8 49.755 -63.789 9.606 1.00 42.49 C ATOM 1340 C THR B 8 49.805 -62.535 8.734 1.00 42.09 C ATOM 1341 O THR B 8 50.879 -61.975 8.509 1.00 42.17 O ATOM 1342 CB THR B 8 51.155 -64.064 10.180 1.00 43.02 C ATOM 1343 OG1 THR B 8 51.501 -65.438 9.943 1.00 43.54 O ATOM 1344 CG2 THR B 8 51.206 -63.769 11.670 1.00 43.04 C ATOM 0 H THR B 8 50.050 -65.498 8.441 1.00 42.72 H new ATOM 0 HA THR B 8 49.048 -63.620 10.418 1.00 42.49 H new ATOM 0 HB THR B 8 51.870 -63.408 9.683 1.00 43.02 H new ATOM 0 HG1 THR B 8 52.394 -65.618 10.306 1.00 43.54 H new ATOM 0 HG21 THR B 8 52.208 -63.973 12.047 1.00 43.04 H new ATOM 0 HG22 THR B 8 50.960 -62.721 11.842 1.00 43.04 H new ATOM 0 HG23 THR B 8 50.487 -64.401 12.191 1.00 43.04 H new ATOM 1352 N SER B 9 48.648 -62.148 8.190 1.00 41.72 N ATOM 1353 CA SER B 9 48.555 -61.010 7.276 1.00 41.37 C ATOM 1354 C SER B 9 49.552 -61.171 6.126 1.00 40.97 C ATOM 1355 O SER B 9 50.313 -60.255 5.804 1.00 40.81 O ATOM 1356 CB SER B 9 48.807 -59.697 8.030 1.00 41.56 C ATOM 1357 OG SER B 9 48.412 -59.803 9.391 1.00 41.99 O ATOM 0 H SER B 9 47.757 -62.611 8.370 1.00 41.72 H new ATOM 0 HA SER B 9 47.549 -60.978 6.858 1.00 41.37 H new ATOM 0 HB2 SER B 9 49.865 -59.440 7.974 1.00 41.56 H new ATOM 0 HB3 SER B 9 48.256 -58.888 7.551 1.00 41.56 H new ATOM 0 HG SER B 9 48.585 -58.954 9.849 1.00 41.99 H new ATOM 1363 N VAL B 10 49.602 -62.376 5.580 1.00 40.88 N ATOM 1364 CA VAL B 10 50.577 -62.712 4.560 1.00 40.57 C ATOM 1365 C VAL B 10 49.887 -63.141 3.270 1.00 39.78 C ATOM 1366 O VAL B 10 48.754 -63.628 3.299 1.00 39.60 O ATOM 1367 CB VAL B 10 51.527 -63.830 5.060 1.00 41.04 C ATOM 1368 CG1 VAL B 10 50.846 -65.192 5.031 1.00 41.05 C ATOM 1369 CG2 VAL B 10 52.813 -63.856 4.251 1.00 41.81 C ATOM 0 H VAL B 10 48.974 -63.140 5.830 1.00 40.88 H new ATOM 0 HA VAL B 10 51.169 -61.821 4.352 1.00 40.57 H new ATOM 0 HB VAL B 10 51.780 -63.605 6.096 1.00 41.04 H new ATOM 0 HG11 VAL B 10 51.540 -65.953 5.388 1.00 41.05 H new ATOM 0 HG12 VAL B 10 49.966 -65.173 5.674 1.00 41.05 H new ATOM 0 HG13 VAL B 10 50.544 -65.426 4.010 1.00 41.05 H new ATOM 0 HG21 VAL B 10 53.461 -64.650 4.623 1.00 41.81 H new ATOM 0 HG22 VAL B 10 52.579 -64.040 3.202 1.00 41.81 H new ATOM 0 HG23 VAL B 10 53.322 -62.897 4.346 1.00 41.81 H new ATOM 1379 N LYS B 11 50.566 -62.905 2.146 1.00 39.37 N ATOM 1380 CA LYS B 11 50.070 -63.247 0.808 1.00 38.66 C ATOM 1381 C LYS B 11 48.948 -62.316 0.358 1.00 37.92 C ATOM 1382 O LYS B 11 49.045 -61.688 -0.696 1.00 37.86 O ATOM 1383 CB LYS B 11 49.612 -64.710 0.737 1.00 38.51 C ATOM 1384 CG LYS B 11 50.609 -65.624 0.041 1.00 38.70 C ATOM 1385 CD LYS B 11 51.579 -66.251 1.030 1.00 39.11 C ATOM 1386 CE LYS B 11 52.906 -66.593 0.371 1.00 39.26 C ATOM 1387 NZ LYS B 11 52.803 -67.791 -0.505 1.00 39.34 N ATOM 0 H LYS B 11 51.487 -62.466 2.137 1.00 39.37 H new ATOM 0 HA LYS B 11 50.907 -63.115 0.122 1.00 38.66 H new ATOM 0 HB2 LYS B 11 49.438 -65.078 1.748 1.00 38.51 H new ATOM 0 HB3 LYS B 11 48.658 -64.759 0.212 1.00 38.51 H new ATOM 0 HG2 LYS B 11 50.073 -66.410 -0.491 1.00 38.70 H new ATOM 0 HG3 LYS B 11 51.165 -65.056 -0.705 1.00 38.70 H new ATOM 0 HD2 LYS B 11 51.750 -65.564 1.859 1.00 39.11 H new ATOM 0 HD3 LYS B 11 51.137 -67.154 1.451 1.00 39.11 H new ATOM 0 HE2 LYS B 11 53.248 -65.742 -0.218 1.00 39.26 H new ATOM 0 HE3 LYS B 11 53.657 -66.770 1.140 1.00 39.26 H new ATOM 0 HZ1 LYS B 11 53.730 -67.988 -0.934 1.00 39.34 H new ATOM 0 HZ2 LYS B 11 52.502 -68.610 0.061 1.00 39.34 H new ATOM 0 HZ3 LYS B 11 52.105 -67.613 -1.255 1.00 39.34 H new ATOM 1401 N LYS B 12 47.912 -62.197 1.170 1.00 37.43 N ATOM 1402 CA LYS B 12 46.796 -61.326 0.866 1.00 36.75 C ATOM 1403 C LYS B 12 46.081 -60.898 2.139 1.00 36.06 C ATOM 1404 O LYS B 12 45.976 -61.670 3.094 1.00 35.87 O ATOM 1405 CB LYS B 12 45.813 -62.018 -0.082 1.00 36.61 C ATOM 1406 CG LYS B 12 45.165 -61.076 -1.085 1.00 36.83 C ATOM 1407 CD LYS B 12 46.160 -60.602 -2.131 1.00 36.79 C ATOM 1408 CE LYS B 12 46.121 -59.092 -2.294 1.00 36.93 C ATOM 1409 NZ LYS B 12 47.482 -58.515 -2.459 1.00 36.94 N ATOM 0 H LYS B 12 47.823 -62.699 2.053 1.00 37.43 H new ATOM 0 HA LYS B 12 47.189 -60.436 0.374 1.00 36.75 H new ATOM 0 HB2 LYS B 12 46.337 -62.806 -0.623 1.00 36.61 H new ATOM 0 HB3 LYS B 12 45.033 -62.500 0.507 1.00 36.61 H new ATOM 0 HG2 LYS B 12 44.334 -61.582 -1.576 1.00 36.83 H new ATOM 0 HG3 LYS B 12 44.750 -60.215 -0.561 1.00 36.83 H new ATOM 0 HD2 LYS B 12 47.165 -60.912 -1.845 1.00 36.79 H new ATOM 0 HD3 LYS B 12 45.939 -61.078 -3.086 1.00 36.79 H new ATOM 0 HE2 LYS B 12 45.511 -58.836 -3.161 1.00 36.93 H new ATOM 0 HE3 LYS B 12 45.641 -58.645 -1.423 1.00 36.93 H new ATOM 0 HZ1 LYS B 12 47.411 -57.483 -2.567 1.00 36.94 H new ATOM 0 HZ2 LYS B 12 48.057 -58.737 -1.621 1.00 36.94 H new ATOM 0 HZ3 LYS B 12 47.931 -58.921 -3.304 1.00 36.94 H new ATOM 1423 N MET B 13 45.599 -59.671 2.138 1.00 35.73 N ATOM 1424 CA MET B 13 44.870 -59.130 3.271 1.00 35.11 C ATOM 1425 C MET B 13 43.459 -58.748 2.835 1.00 34.05 C ATOM 1426 O MET B 13 43.057 -59.042 1.706 1.00 33.69 O ATOM 1427 CB MET B 13 45.604 -57.908 3.832 1.00 35.48 C ATOM 1428 CG MET B 13 45.403 -57.696 5.325 1.00 35.31 C ATOM 1429 SD MET B 13 44.959 -55.994 5.725 1.00 35.65 S ATOM 1430 CE MET B 13 44.204 -56.205 7.334 1.00 35.62 C ATOM 0 H MET B 13 45.700 -59.023 1.357 1.00 35.73 H new ATOM 0 HA MET B 13 44.807 -59.886 4.054 1.00 35.11 H new ATOM 0 HB2 MET B 13 46.670 -58.014 3.631 1.00 35.48 H new ATOM 0 HB3 MET B 13 45.266 -57.018 3.301 1.00 35.48 H new ATOM 0 HG2 MET B 13 44.621 -58.366 5.682 1.00 35.31 H new ATOM 0 HG3 MET B 13 46.318 -57.964 5.854 1.00 35.31 H new ATOM 0 HE1 MET B 13 43.161 -55.891 7.291 1.00 35.62 H new ATOM 0 HE2 MET B 13 44.255 -57.254 7.625 1.00 35.62 H new ATOM 0 HE3 MET B 13 44.735 -55.598 8.067 1.00 35.62 H new ATOM 1440 N THR B 14 42.742 -58.042 3.688 1.00 33.61 N ATOM 1441 CA THR B 14 41.424 -57.556 3.344 1.00 32.62 C ATOM 1442 C THR B 14 41.535 -56.348 2.420 1.00 31.94 C ATOM 1443 O THR B 14 42.261 -55.396 2.713 1.00 32.15 O ATOM 1444 CB THR B 14 40.641 -57.184 4.605 1.00 32.54 C ATOM 1445 OG1 THR B 14 41.532 -57.123 5.730 1.00 33.35 O ATOM 1446 CG2 THR B 14 39.542 -58.196 4.882 1.00 32.48 C ATOM 0 H THR B 14 43.053 -57.793 4.627 1.00 33.61 H new ATOM 0 HA THR B 14 40.887 -58.351 2.826 1.00 32.62 H new ATOM 0 HB THR B 14 40.181 -56.209 4.446 1.00 32.54 H new ATOM 0 HG1 THR B 14 41.027 -56.883 6.535 1.00 33.35 H new ATOM 0 HG21 THR B 14 39.001 -57.908 5.783 1.00 32.48 H new ATOM 0 HG22 THR B 14 38.852 -58.224 4.038 1.00 32.48 H new ATOM 0 HG23 THR B 14 39.983 -59.183 5.023 1.00 32.48 H new ATOM 1454 N PHE B 15 40.903 -56.437 1.257 1.00 31.19 N ATOM 1455 CA PHE B 15 41.007 -55.386 0.244 1.00 30.54 C ATOM 1456 C PHE B 15 40.102 -54.201 0.583 1.00 29.77 C ATOM 1457 O PHE B 15 40.078 -53.194 -0.126 1.00 29.39 O ATOM 1458 CB PHE B 15 40.651 -55.950 -1.144 1.00 30.31 C ATOM 1459 CG PHE B 15 39.177 -55.945 -1.460 1.00 30.09 C ATOM 1460 CD1 PHE B 15 38.287 -56.700 -0.711 1.00 30.43 C ATOM 1461 CD2 PHE B 15 38.684 -55.185 -2.510 1.00 29.61 C ATOM 1462 CE1 PHE B 15 36.938 -56.699 -1.002 1.00 30.32 C ATOM 1463 CE2 PHE B 15 37.335 -55.182 -2.805 1.00 29.47 C ATOM 1464 CZ PHE B 15 36.461 -55.939 -2.051 1.00 29.84 C ATOM 0 H PHE B 15 40.312 -57.224 0.988 1.00 31.19 H new ATOM 0 HA PHE B 15 42.037 -55.030 0.230 1.00 30.54 H new ATOM 0 HB2 PHE B 15 41.175 -55.370 -1.904 1.00 30.31 H new ATOM 0 HB3 PHE B 15 41.021 -56.973 -1.213 1.00 30.31 H new ATOM 0 HD1 PHE B 15 38.654 -57.297 0.111 1.00 30.43 H new ATOM 0 HD2 PHE B 15 39.362 -54.589 -3.103 1.00 29.61 H new ATOM 0 HE1 PHE B 15 36.257 -57.292 -0.410 1.00 30.32 H new ATOM 0 HE2 PHE B 15 36.964 -54.587 -3.626 1.00 29.47 H new ATOM 0 HZ PHE B 15 35.406 -55.937 -2.281 1.00 29.84 H new ATOM 1474 N GLY B 16 39.307 -54.364 1.628 1.00 29.61 N ATOM 1475 CA GLY B 16 38.336 -53.358 1.987 1.00 28.95 C ATOM 1476 C GLY B 16 36.932 -53.880 1.797 1.00 28.38 C ATOM 1477 O GLY B 16 36.227 -53.481 0.870 1.00 27.86 O ATOM 0 H GLY B 16 39.319 -55.182 2.237 1.00 29.61 H new ATOM 0 HA2 GLY B 16 38.481 -53.060 3.025 1.00 28.95 H new ATOM 0 HA3 GLY B 16 38.484 -52.468 1.376 1.00 28.95 H new ATOM 1481 N GLU B 17 36.550 -54.823 2.646 1.00 28.54 N ATOM 1482 CA GLU B 17 35.250 -55.472 2.548 1.00 28.12 C ATOM 1483 C GLU B 17 34.139 -54.569 3.081 1.00 27.58 C ATOM 1484 O GLU B 17 32.995 -54.999 3.226 1.00 27.25 O ATOM 1485 CB GLU B 17 35.267 -56.802 3.308 1.00 28.76 C ATOM 1486 CG GLU B 17 35.148 -58.018 2.403 1.00 28.83 C ATOM 1487 CD GLU B 17 36.146 -59.104 2.748 1.00 28.83 C ATOM 1488 OE1 GLU B 17 36.184 -59.537 3.919 1.00 29.03 O ATOM 1489 OE2 GLU B 17 36.903 -59.529 1.851 1.00 28.71 O ATOM 0 H GLU B 17 37.127 -55.158 3.417 1.00 28.54 H new ATOM 0 HA GLU B 17 35.046 -55.667 1.495 1.00 28.12 H new ATOM 0 HB2 GLU B 17 36.192 -56.873 3.879 1.00 28.76 H new ATOM 0 HB3 GLU B 17 34.447 -56.812 4.026 1.00 28.76 H new ATOM 0 HG2 GLU B 17 34.138 -58.422 2.475 1.00 28.83 H new ATOM 0 HG3 GLU B 17 35.295 -57.711 1.368 1.00 28.83 H new ATOM 1496 N ASN B 18 34.470 -53.304 3.311 1.00 27.58 N ATOM 1497 CA ASN B 18 33.487 -52.321 3.746 1.00 27.16 C ATOM 1498 C ASN B 18 32.520 -52.004 2.610 1.00 26.33 C ATOM 1499 O ASN B 18 31.321 -52.260 2.716 1.00 26.18 O ATOM 1500 CB ASN B 18 34.168 -51.035 4.245 1.00 27.37 C ATOM 1501 CG ASN B 18 35.442 -50.694 3.484 1.00 27.17 C ATOM 1502 OD1 ASN B 18 35.416 -50.466 2.274 1.00 26.74 O ATOM 1503 ND2 ASN B 18 36.563 -50.661 4.183 1.00 27.56 N ATOM 0 H ASN B 18 35.415 -52.935 3.203 1.00 27.58 H new ATOM 0 HA ASN B 18 32.927 -52.748 4.578 1.00 27.16 H new ATOM 0 HB2 ASN B 18 33.468 -50.204 4.158 1.00 27.37 H new ATOM 0 HB3 ASN B 18 34.404 -51.144 5.304 1.00 27.37 H new ATOM 0 HD21 ASN B 18 37.446 -50.441 3.721 1.00 27.56 H new ATOM 0 HD22 ASN B 18 36.546 -50.855 5.184 1.00 27.56 H new ATOM 1510 N ARG B 19 33.071 -51.508 1.507 1.00 25.86 N ATOM 1511 CA ARG B 19 32.295 -51.186 0.312 1.00 25.09 C ATOM 1512 C ARG B 19 31.241 -50.129 0.619 1.00 24.28 C ATOM 1513 O ARG B 19 30.063 -50.439 0.790 1.00 23.72 O ATOM 1514 CB ARG B 19 31.638 -52.447 -0.259 1.00 24.95 C ATOM 1515 CG ARG B 19 32.178 -52.856 -1.615 1.00 25.02 C ATOM 1516 CD ARG B 19 33.661 -53.178 -1.556 1.00 25.65 C ATOM 1517 NE ARG B 19 34.389 -52.576 -2.668 1.00 25.93 N ATOM 1518 CZ ARG B 19 35.569 -51.971 -2.549 1.00 26.41 C ATOM 1519 NH1 ARG B 19 36.218 -51.972 -1.389 1.00 26.67 N ATOM 1520 NH2 ARG B 19 36.118 -51.397 -3.608 1.00 26.71 N ATOM 0 H ARG B 19 34.069 -51.317 1.415 1.00 25.86 H new ATOM 0 HA ARG B 19 32.977 -50.781 -0.436 1.00 25.09 H new ATOM 0 HB2 ARG B 19 31.781 -53.269 0.442 1.00 24.95 H new ATOM 0 HB3 ARG B 19 30.564 -52.281 -0.341 1.00 24.95 H new ATOM 0 HG2 ARG B 19 31.631 -53.726 -1.977 1.00 25.02 H new ATOM 0 HG3 ARG B 19 32.008 -52.052 -2.332 1.00 25.02 H new ATOM 0 HD2 ARG B 19 34.074 -52.819 -0.614 1.00 25.65 H new ATOM 0 HD3 ARG B 19 33.800 -54.259 -1.573 1.00 25.65 H new ATOM 0 HE ARG B 19 33.967 -52.622 -3.596 1.00 25.93 H new ATOM 0 HH11 ARG B 19 35.813 -52.440 -0.578 1.00 26.67 H new ATOM 0 HH12 ARG B 19 37.121 -51.505 -1.310 1.00 26.67 H new ATOM 0 HH21 ARG B 19 35.637 -51.420 -4.507 1.00 26.71 H new ATOM 0 HH22 ARG B 19 37.022 -50.932 -3.525 1.00 26.71 H new ATOM 1534 N ASP B 20 31.674 -48.880 0.689 1.00 24.30 N ATOM 1535 CA ASP B 20 30.770 -47.774 0.967 1.00 23.61 C ATOM 1536 C ASP B 20 30.040 -47.356 -0.299 1.00 22.79 C ATOM 1537 O ASP B 20 30.638 -46.809 -1.223 1.00 22.56 O ATOM 1538 CB ASP B 20 31.524 -46.575 1.547 1.00 24.06 C ATOM 1539 CG ASP B 20 30.633 -45.355 1.692 1.00 23.62 C ATOM 1540 OD1 ASP B 20 29.515 -45.491 2.226 1.00 23.49 O ATOM 1541 OD2 ASP B 20 31.049 -44.255 1.274 1.00 23.48 O ATOM 0 H ASP B 20 32.648 -48.606 0.557 1.00 24.30 H new ATOM 0 HA ASP B 20 30.045 -48.116 1.705 1.00 23.61 H new ATOM 0 HB2 ASP B 20 31.934 -46.842 2.521 1.00 24.06 H new ATOM 0 HB3 ASP B 20 32.368 -46.332 0.902 1.00 24.06 H new ATOM 1546 N LEU B 21 28.758 -47.667 -0.358 1.00 22.46 N ATOM 1547 CA LEU B 21 27.949 -47.361 -1.525 1.00 21.76 C ATOM 1548 C LEU B 21 26.729 -46.547 -1.118 1.00 20.84 C ATOM 1549 O LEU B 21 25.760 -46.445 -1.870 1.00 20.32 O ATOM 1550 CB LEU B 21 27.510 -48.653 -2.219 1.00 21.92 C ATOM 1551 CG LEU B 21 28.468 -49.170 -3.294 1.00 22.37 C ATOM 1552 CD1 LEU B 21 29.310 -50.316 -2.754 1.00 22.89 C ATOM 1553 CD2 LEU B 21 27.693 -49.611 -4.527 1.00 22.42 C ATOM 0 H LEU B 21 28.251 -48.134 0.394 1.00 22.46 H new ATOM 0 HA LEU B 21 28.548 -46.775 -2.221 1.00 21.76 H new ATOM 0 HB2 LEU B 21 27.384 -49.428 -1.463 1.00 21.92 H new ATOM 0 HB3 LEU B 21 26.533 -48.489 -2.673 1.00 21.92 H new ATOM 0 HG LEU B 21 29.138 -48.358 -3.579 1.00 22.37 H new ATOM 0 HD11 LEU B 21 29.985 -50.670 -3.533 1.00 22.89 H new ATOM 0 HD12 LEU B 21 29.892 -49.969 -1.900 1.00 22.89 H new ATOM 0 HD13 LEU B 21 28.657 -51.131 -2.441 1.00 22.89 H new ATOM 0 HD21 LEU B 21 28.389 -49.976 -5.283 1.00 22.42 H new ATOM 0 HD22 LEU B 21 27.001 -50.408 -4.256 1.00 22.42 H new ATOM 0 HD23 LEU B 21 27.134 -48.765 -4.927 1.00 22.42 H new ATOM 1565 N GLU B 22 26.782 -45.997 0.093 1.00 20.72 N ATOM 1566 CA GLU B 22 25.676 -45.225 0.643 1.00 19.93 C ATOM 1567 C GLU B 22 25.285 -44.078 -0.282 1.00 19.41 C ATOM 1568 O GLU B 22 26.144 -43.410 -0.864 1.00 19.74 O ATOM 1569 CB GLU B 22 26.044 -44.679 2.022 1.00 20.20 C ATOM 1570 CG GLU B 22 26.271 -45.762 3.063 1.00 20.30 C ATOM 1571 CD GLU B 22 25.052 -46.632 3.275 1.00 19.89 C ATOM 1572 OE1 GLU B 22 24.209 -46.285 4.126 1.00 19.52 O ATOM 1573 OE2 GLU B 22 24.940 -47.678 2.603 1.00 20.02 O ATOM 0 H GLU B 22 27.587 -46.074 0.715 1.00 20.72 H new ATOM 0 HA GLU B 22 24.820 -45.893 0.737 1.00 19.93 H new ATOM 0 HB2 GLU B 22 26.947 -44.075 1.935 1.00 20.20 H new ATOM 0 HB3 GLU B 22 25.249 -44.017 2.366 1.00 20.20 H new ATOM 0 HG2 GLU B 22 27.109 -46.387 2.755 1.00 20.30 H new ATOM 0 HG3 GLU B 22 26.550 -45.298 4.009 1.00 20.30 H new ATOM 1580 N ARG B 23 23.986 -43.890 -0.445 1.00 18.69 N ATOM 1581 CA ARG B 23 23.461 -42.856 -1.323 1.00 18.19 C ATOM 1582 C ARG B 23 22.374 -42.060 -0.612 1.00 17.33 C ATOM 1583 O ARG B 23 21.480 -42.636 0.008 1.00 17.06 O ATOM 1584 CB ARG B 23 22.900 -43.482 -2.599 1.00 18.28 C ATOM 1585 CG ARG B 23 23.754 -43.225 -3.826 1.00 18.65 C ATOM 1586 CD ARG B 23 22.984 -42.462 -4.891 1.00 18.48 C ATOM 1587 NE ARG B 23 21.691 -43.079 -5.179 1.00 18.13 N ATOM 1588 CZ ARG B 23 20.565 -42.398 -5.391 1.00 17.91 C ATOM 1589 NH1 ARG B 23 20.553 -41.073 -5.317 1.00 18.00 N ATOM 1590 NH2 ARG B 23 19.450 -43.054 -5.669 1.00 17.74 N ATOM 0 H ARG B 23 23.270 -44.445 0.023 1.00 18.69 H new ATOM 0 HA ARG B 23 24.274 -42.180 -1.589 1.00 18.19 H new ATOM 0 HB2 ARG B 23 22.802 -44.558 -2.453 1.00 18.28 H new ATOM 0 HB3 ARG B 23 21.898 -43.091 -2.775 1.00 18.28 H new ATOM 0 HG2 ARG B 23 24.641 -42.659 -3.541 1.00 18.65 H new ATOM 0 HG3 ARG B 23 24.100 -44.174 -4.235 1.00 18.65 H new ATOM 0 HD2 ARG B 23 22.830 -41.435 -4.561 1.00 18.48 H new ATOM 0 HD3 ARG B 23 23.576 -42.418 -5.805 1.00 18.48 H new ATOM 0 HE ARG B 23 21.647 -44.097 -5.220 1.00 18.13 H new ATOM 0 HH11 ARG B 23 21.411 -40.567 -5.096 1.00 18.00 H new ATOM 0 HH12 ARG B 23 19.686 -40.561 -5.481 1.00 18.00 H new ATOM 0 HH21 ARG B 23 19.457 -44.073 -5.720 1.00 17.74 H new ATOM 0 HH22 ARG B 23 18.584 -42.541 -5.833 1.00 17.74 H new ATOM 1604 N VAL B 24 22.462 -40.741 -0.689 1.00 17.00 N ATOM 1605 CA VAL B 24 21.483 -39.870 -0.054 1.00 16.23 C ATOM 1606 C VAL B 24 20.808 -38.987 -1.099 1.00 15.49 C ATOM 1607 O VAL B 24 21.479 -38.343 -1.904 1.00 15.64 O ATOM 1608 CB VAL B 24 22.128 -38.968 1.024 1.00 16.53 C ATOM 1609 CG1 VAL B 24 21.058 -38.273 1.855 1.00 16.12 C ATOM 1610 CG2 VAL B 24 23.060 -39.770 1.921 1.00 17.37 C ATOM 0 H VAL B 24 23.204 -40.248 -1.187 1.00 17.00 H new ATOM 0 HA VAL B 24 20.746 -40.512 0.429 1.00 16.23 H new ATOM 0 HB VAL B 24 22.719 -38.207 0.514 1.00 16.53 H new ATOM 0 HG11 VAL B 24 21.533 -37.644 2.607 1.00 16.12 H new ATOM 0 HG12 VAL B 24 20.437 -37.656 1.206 1.00 16.12 H new ATOM 0 HG13 VAL B 24 20.437 -39.021 2.348 1.00 16.12 H new ATOM 0 HG21 VAL B 24 23.500 -39.112 2.670 1.00 17.37 H new ATOM 0 HG22 VAL B 24 22.496 -40.559 2.418 1.00 17.37 H new ATOM 0 HG23 VAL B 24 23.852 -40.214 1.318 1.00 17.37 H new ATOM 1620 N VAL B 25 19.487 -38.963 -1.090 1.00 14.81 N ATOM 1621 CA VAL B 25 18.737 -38.151 -2.034 1.00 14.13 C ATOM 1622 C VAL B 25 18.497 -36.764 -1.452 1.00 13.38 C ATOM 1623 O VAL B 25 17.914 -36.632 -0.377 1.00 13.23 O ATOM 1624 CB VAL B 25 17.380 -38.799 -2.391 1.00 14.18 C ATOM 1625 CG1 VAL B 25 16.773 -38.136 -3.616 1.00 13.94 C ATOM 1626 CG2 VAL B 25 17.543 -40.295 -2.621 1.00 14.46 C ATOM 0 H VAL B 25 18.910 -39.497 -0.439 1.00 14.81 H new ATOM 0 HA VAL B 25 19.329 -38.074 -2.946 1.00 14.13 H new ATOM 0 HB VAL B 25 16.702 -38.652 -1.550 1.00 14.18 H new ATOM 0 HG11 VAL B 25 15.818 -38.608 -3.850 1.00 13.94 H new ATOM 0 HG12 VAL B 25 16.615 -37.076 -3.415 1.00 13.94 H new ATOM 0 HG13 VAL B 25 17.450 -38.248 -4.463 1.00 13.94 H new ATOM 0 HG21 VAL B 25 16.576 -40.732 -2.871 1.00 14.46 H new ATOM 0 HG22 VAL B 25 18.240 -40.463 -3.442 1.00 14.46 H new ATOM 0 HG23 VAL B 25 17.929 -40.762 -1.715 1.00 14.46 H new ATOM 1636 N THR B 26 19.040 -35.743 -2.095 1.00 13.07 N ATOM 1637 CA THR B 26 18.932 -34.385 -1.583 1.00 12.47 C ATOM 1638 C THR B 26 18.641 -33.390 -2.704 1.00 11.78 C ATOM 1639 O THR B 26 19.556 -32.805 -3.290 1.00 11.91 O ATOM 1640 CB THR B 26 20.216 -33.964 -0.844 1.00 12.87 C ATOM 1641 OG1 THR B 26 21.050 -35.111 -0.612 1.00 13.71 O ATOM 1642 CG2 THR B 26 19.883 -33.303 0.485 1.00 12.94 C ATOM 0 H THR B 26 19.558 -35.827 -2.969 1.00 13.07 H new ATOM 0 HA THR B 26 18.099 -34.376 -0.879 1.00 12.47 H new ATOM 0 HB THR B 26 20.748 -33.247 -1.469 1.00 12.87 H new ATOM 0 HG1 THR B 26 21.865 -34.834 -0.143 1.00 13.71 H new ATOM 0 HG21 THR B 26 20.805 -33.014 0.989 1.00 12.94 H new ATOM 0 HG22 THR B 26 19.273 -32.417 0.308 1.00 12.94 H new ATOM 0 HG23 THR B 26 19.331 -34.004 1.112 1.00 12.94 H new ATOM 1650 N ALA B 27 17.361 -33.174 -2.970 1.00 11.17 N ATOM 1651 CA ALA B 27 16.937 -32.219 -3.981 1.00 10.52 C ATOM 1652 C ALA B 27 16.378 -30.963 -3.320 1.00 9.95 C ATOM 1653 O ALA B 27 15.313 -31.000 -2.701 1.00 9.71 O ATOM 1654 CB ALA B 27 15.900 -32.846 -4.903 1.00 10.28 C ATOM 0 H ALA B 27 16.594 -33.651 -2.496 1.00 11.17 H new ATOM 0 HA ALA B 27 17.803 -31.938 -4.580 1.00 10.52 H new ATOM 0 HB1 ALA B 27 15.593 -32.118 -5.654 1.00 10.28 H new ATOM 0 HB2 ALA B 27 16.331 -33.717 -5.397 1.00 10.28 H new ATOM 0 HB3 ALA B 27 15.032 -33.153 -4.319 1.00 10.28 H new ATOM 1660 N PRO B 28 17.127 -29.855 -3.374 1.00 9.96 N ATOM 1661 CA PRO B 28 16.741 -28.608 -2.712 1.00 9.63 C ATOM 1662 C PRO B 28 15.650 -27.853 -3.467 1.00 8.60 C ATOM 1663 O PRO B 28 15.545 -27.940 -4.696 1.00 8.30 O ATOM 1664 CB PRO B 28 18.039 -27.799 -2.701 1.00 10.21 C ATOM 1665 CG PRO B 28 18.798 -28.294 -3.879 1.00 10.68 C ATOM 1666 CD PRO B 28 18.448 -29.752 -4.019 1.00 10.54 C ATOM 0 HA PRO B 28 16.322 -28.789 -1.722 1.00 9.63 H new ATOM 0 HB2 PRO B 28 17.841 -26.730 -2.778 1.00 10.21 H new ATOM 0 HB3 PRO B 28 18.595 -27.955 -1.777 1.00 10.21 H new ATOM 0 HG2 PRO B 28 18.527 -27.740 -4.778 1.00 10.68 H new ATOM 0 HG3 PRO B 28 19.870 -28.163 -3.735 1.00 10.68 H new ATOM 0 HD2 PRO B 28 18.408 -30.056 -5.065 1.00 10.54 H new ATOM 0 HD3 PRO B 28 19.184 -30.390 -3.529 1.00 10.54 H new ATOM 1674 N VAL B 29 14.855 -27.093 -2.727 1.00 8.25 N ATOM 1675 CA VAL B 29 13.793 -26.281 -3.309 1.00 7.38 C ATOM 1676 C VAL B 29 13.771 -24.900 -2.662 1.00 6.86 C ATOM 1677 O VAL B 29 14.108 -24.756 -1.486 1.00 6.83 O ATOM 1678 CB VAL B 29 12.403 -26.942 -3.155 1.00 7.36 C ATOM 1679 CG1 VAL B 29 12.099 -27.824 -4.353 1.00 7.30 C ATOM 1680 CG2 VAL B 29 12.320 -27.743 -1.865 1.00 8.00 C ATOM 0 H VAL B 29 14.926 -27.021 -1.712 1.00 8.25 H new ATOM 0 HA VAL B 29 14.006 -26.190 -4.374 1.00 7.38 H new ATOM 0 HB VAL B 29 11.654 -26.151 -3.108 1.00 7.36 H new ATOM 0 HG11 VAL B 29 11.117 -28.281 -4.228 1.00 7.30 H new ATOM 0 HG12 VAL B 29 12.105 -27.220 -5.260 1.00 7.30 H new ATOM 0 HG13 VAL B 29 12.856 -28.605 -4.431 1.00 7.30 H new ATOM 0 HG21 VAL B 29 11.333 -28.197 -1.782 1.00 8.00 H new ATOM 0 HG22 VAL B 29 13.079 -28.525 -1.873 1.00 8.00 H new ATOM 0 HG23 VAL B 29 12.488 -27.082 -1.015 1.00 8.00 H new ATOM 1690 N SER B 30 13.464 -23.883 -3.451 1.00 6.76 N ATOM 1691 CA SER B 30 13.493 -22.509 -2.966 1.00 6.54 C ATOM 1692 C SER B 30 12.218 -21.759 -3.342 1.00 5.55 C ATOM 1693 O SER B 30 11.533 -22.118 -4.305 1.00 5.55 O ATOM 1694 CB SER B 30 14.713 -21.783 -3.537 1.00 7.31 C ATOM 1695 OG SER B 30 15.380 -22.587 -4.500 1.00 8.13 O ATOM 0 H SER B 30 13.192 -23.981 -4.429 1.00 6.76 H new ATOM 0 HA SER B 30 13.559 -22.535 -1.878 1.00 6.54 H new ATOM 0 HB2 SER B 30 14.401 -20.845 -3.995 1.00 7.31 H new ATOM 0 HB3 SER B 30 15.401 -21.530 -2.730 1.00 7.31 H new ATOM 0 HG SER B 30 16.155 -22.101 -4.852 1.00 8.13 H new ATOM 1701 N SER B 31 11.914 -20.708 -2.589 1.00 5.05 N ATOM 1702 CA SER B 31 10.742 -19.884 -2.851 1.00 4.38 C ATOM 1703 C SER B 31 10.929 -19.084 -4.141 1.00 3.76 C ATOM 1704 O SER B 31 11.993 -18.503 -4.369 1.00 4.12 O ATOM 1705 CB SER B 31 10.511 -18.940 -1.668 1.00 4.89 C ATOM 1706 OG SER B 31 11.610 -18.983 -0.767 1.00 5.76 O ATOM 0 H SER B 31 12.468 -20.406 -1.787 1.00 5.05 H new ATOM 0 HA SER B 31 9.871 -20.528 -2.973 1.00 4.38 H new ATOM 0 HB2 SER B 31 10.372 -17.922 -2.031 1.00 4.89 H new ATOM 0 HB3 SER B 31 9.596 -19.220 -1.146 1.00 4.89 H new ATOM 0 HG SER B 31 11.444 -18.372 -0.019 1.00 5.76 H new ATOM 1712 N GLY B 32 9.919 -19.088 -5.002 1.00 3.21 N ATOM 1713 CA GLY B 32 10.045 -18.411 -6.277 1.00 3.08 C ATOM 1714 C GLY B 32 8.747 -17.792 -6.755 1.00 2.11 C ATOM 1715 O GLY B 32 8.031 -18.386 -7.565 1.00 2.56 O ATOM 0 H GLY B 32 9.021 -19.545 -4.842 1.00 3.21 H new ATOM 0 HA2 GLY B 32 10.803 -17.632 -6.194 1.00 3.08 H new ATOM 0 HA3 GLY B 32 10.398 -19.121 -7.025 1.00 3.08 H new ATOM 1719 N LYS B 33 8.489 -16.563 -6.320 1.00 1.35 N ATOM 1720 CA LYS B 33 7.320 -15.812 -6.759 1.00 0.80 C ATOM 1721 C LYS B 33 7.470 -14.343 -6.373 1.00 0.59 C ATOM 1722 O LYS B 33 8.250 -14.006 -5.481 1.00 0.58 O ATOM 1723 CB LYS B 33 6.037 -16.384 -6.147 1.00 1.23 C ATOM 1724 CG LYS B 33 4.830 -16.292 -7.070 1.00 2.23 C ATOM 1725 CD LYS B 33 4.973 -17.216 -8.268 1.00 3.13 C ATOM 1726 CE LYS B 33 3.981 -16.870 -9.368 1.00 4.15 C ATOM 1727 NZ LYS B 33 3.972 -17.891 -10.450 1.00 4.99 N ATOM 0 H LYS B 33 9.081 -16.063 -5.657 1.00 1.35 H new ATOM 0 HA LYS B 33 7.248 -15.896 -7.843 1.00 0.80 H new ATOM 0 HB2 LYS B 33 6.204 -17.428 -5.883 1.00 1.23 H new ATOM 0 HB3 LYS B 33 5.817 -15.853 -5.221 1.00 1.23 H new ATOM 0 HG2 LYS B 33 3.927 -16.549 -6.516 1.00 2.23 H new ATOM 0 HG3 LYS B 33 4.711 -15.265 -7.414 1.00 2.23 H new ATOM 0 HD2 LYS B 33 5.988 -17.150 -8.660 1.00 3.13 H new ATOM 0 HD3 LYS B 33 4.820 -18.248 -7.952 1.00 3.13 H new ATOM 0 HE2 LYS B 33 2.982 -16.785 -8.941 1.00 4.15 H new ATOM 0 HE3 LYS B 33 4.232 -15.897 -9.790 1.00 4.15 H new ATOM 0 HZ1 LYS B 33 3.283 -17.618 -11.179 1.00 4.99 H new ATOM 0 HZ2 LYS B 33 4.919 -17.955 -10.875 1.00 4.99 H new ATOM 0 HZ3 LYS B 33 3.708 -18.815 -10.053 1.00 4.99 H new ATOM 1741 N ILE B 34 6.740 -13.473 -7.053 1.00 0.67 N ATOM 1742 CA ILE B 34 6.789 -12.050 -6.756 1.00 0.59 C ATOM 1743 C ILE B 34 5.474 -11.586 -6.149 1.00 0.57 C ATOM 1744 O ILE B 34 4.404 -12.104 -6.480 1.00 0.68 O ATOM 1745 CB ILE B 34 7.108 -11.202 -8.004 1.00 0.78 C ATOM 1746 CG1 ILE B 34 6.483 -11.816 -9.260 1.00 1.38 C ATOM 1747 CG2 ILE B 34 8.614 -11.065 -8.166 1.00 1.45 C ATOM 1748 CD1 ILE B 34 5.896 -10.791 -10.206 1.00 1.92 C ATOM 0 H ILE B 34 6.108 -13.726 -7.812 1.00 0.67 H new ATOM 0 HA ILE B 34 7.597 -11.906 -6.038 1.00 0.59 H new ATOM 0 HB ILE B 34 6.676 -10.211 -7.869 1.00 0.78 H new ATOM 0 HG12 ILE B 34 7.242 -12.394 -9.788 1.00 1.38 H new ATOM 0 HG13 ILE B 34 5.701 -12.514 -8.963 1.00 1.38 H new ATOM 0 HG21 ILE B 34 8.832 -10.465 -9.049 1.00 1.45 H new ATOM 0 HG22 ILE B 34 9.032 -10.578 -7.285 1.00 1.45 H new ATOM 0 HG23 ILE B 34 9.059 -12.053 -8.280 1.00 1.45 H new ATOM 0 HD11 ILE B 34 5.471 -11.297 -11.073 1.00 1.92 H new ATOM 0 HD12 ILE B 34 5.114 -10.229 -9.694 1.00 1.92 H new ATOM 0 HD13 ILE B 34 6.679 -10.107 -10.533 1.00 1.92 H new ATOM 1760 N LYS B 35 5.574 -10.686 -5.189 1.00 0.54 N ATOM 1761 CA LYS B 35 4.415 -10.208 -4.449 1.00 0.58 C ATOM 1762 C LYS B 35 4.145 -8.746 -4.787 1.00 0.59 C ATOM 1763 O LYS B 35 5.062 -8.018 -5.158 1.00 0.67 O ATOM 1764 CB LYS B 35 4.655 -10.377 -2.946 1.00 0.70 C ATOM 1765 CG LYS B 35 5.575 -11.542 -2.598 1.00 0.94 C ATOM 1766 CD LYS B 35 4.907 -12.888 -2.841 1.00 1.25 C ATOM 1767 CE LYS B 35 4.118 -13.346 -1.626 1.00 1.12 C ATOM 1768 NZ LYS B 35 3.836 -14.803 -1.665 1.00 1.30 N ATOM 0 H LYS B 35 6.457 -10.265 -4.899 1.00 0.54 H new ATOM 0 HA LYS B 35 3.541 -10.794 -4.732 1.00 0.58 H new ATOM 0 HB2 LYS B 35 5.084 -9.456 -2.550 1.00 0.70 H new ATOM 0 HB3 LYS B 35 3.696 -10.522 -2.448 1.00 0.70 H new ATOM 0 HG2 LYS B 35 6.485 -11.476 -3.194 1.00 0.94 H new ATOM 0 HG3 LYS B 35 5.873 -11.469 -1.552 1.00 0.94 H new ATOM 0 HD2 LYS B 35 4.242 -12.815 -3.702 1.00 1.25 H new ATOM 0 HD3 LYS B 35 5.665 -13.632 -3.086 1.00 1.25 H new ATOM 0 HE2 LYS B 35 4.676 -13.109 -0.720 1.00 1.12 H new ATOM 0 HE3 LYS B 35 3.178 -12.796 -1.575 1.00 1.12 H new ATOM 0 HZ1 LYS B 35 3.084 -15.029 -0.984 1.00 1.30 H new ATOM 0 HZ2 LYS B 35 3.529 -15.072 -2.622 1.00 1.30 H new ATOM 0 HZ3 LYS B 35 4.698 -15.330 -1.417 1.00 1.30 H new ATOM 1782 N ARG B 36 2.881 -8.346 -4.737 1.00 0.63 N ATOM 1783 CA ARG B 36 2.492 -7.002 -5.154 1.00 0.65 C ATOM 1784 C ARG B 36 2.199 -6.097 -3.964 1.00 0.63 C ATOM 1785 O ARG B 36 1.369 -6.413 -3.112 1.00 0.77 O ATOM 1786 CB ARG B 36 1.265 -7.069 -6.063 1.00 0.72 C ATOM 1787 CG ARG B 36 1.563 -6.740 -7.516 1.00 1.52 C ATOM 1788 CD ARG B 36 2.744 -7.538 -8.039 1.00 1.83 C ATOM 1789 NE ARG B 36 2.322 -8.706 -8.807 1.00 2.61 N ATOM 1790 CZ ARG B 36 2.550 -8.864 -10.112 1.00 3.31 C ATOM 1791 NH1 ARG B 36 3.107 -7.881 -10.809 1.00 3.37 N ATOM 1792 NH2 ARG B 36 2.194 -9.989 -10.721 1.00 4.33 N ATOM 0 H ARG B 36 2.109 -8.929 -4.413 1.00 0.63 H new ATOM 0 HA ARG B 36 3.333 -6.574 -5.699 1.00 0.65 H new ATOM 0 HB2 ARG B 36 0.836 -8.070 -6.007 1.00 0.72 H new ATOM 0 HB3 ARG B 36 0.510 -6.377 -5.691 1.00 0.72 H new ATOM 0 HG2 ARG B 36 0.683 -6.949 -8.125 1.00 1.52 H new ATOM 0 HG3 ARG B 36 1.772 -5.675 -7.613 1.00 1.52 H new ATOM 0 HD2 ARG B 36 3.364 -6.898 -8.666 1.00 1.83 H new ATOM 0 HD3 ARG B 36 3.363 -7.860 -7.201 1.00 1.83 H new ATOM 0 HE ARG B 36 1.822 -9.447 -8.315 1.00 2.61 H new ATOM 0 HH11 ARG B 36 3.360 -7.008 -10.347 1.00 3.37 H new ATOM 0 HH12 ARG B 36 3.282 -7.999 -11.807 1.00 3.37 H new ATOM 0 HH21 ARG B 36 1.745 -10.736 -10.191 1.00 4.33 H new ATOM 0 HH22 ARG B 36 2.370 -10.106 -11.719 1.00 4.33 H new ATOM 1806 N VAL B 37 2.844 -4.939 -3.947 1.00 0.53 N ATOM 1807 CA VAL B 37 2.622 -3.947 -2.906 1.00 0.56 C ATOM 1808 C VAL B 37 2.310 -2.592 -3.534 1.00 0.49 C ATOM 1809 O VAL B 37 3.043 -2.119 -4.403 1.00 0.49 O ATOM 1810 CB VAL B 37 3.846 -3.805 -1.976 1.00 0.71 C ATOM 1811 CG1 VAL B 37 3.499 -2.954 -0.763 1.00 0.92 C ATOM 1812 CG2 VAL B 37 4.357 -5.170 -1.544 1.00 1.36 C ATOM 0 H VAL B 37 3.531 -4.663 -4.649 1.00 0.53 H new ATOM 0 HA VAL B 37 1.777 -4.287 -2.308 1.00 0.56 H new ATOM 0 HB VAL B 37 4.640 -3.306 -2.531 1.00 0.71 H new ATOM 0 HG11 VAL B 37 4.374 -2.865 -0.119 1.00 0.92 H new ATOM 0 HG12 VAL B 37 3.188 -1.962 -1.091 1.00 0.92 H new ATOM 0 HG13 VAL B 37 2.687 -3.424 -0.209 1.00 0.92 H new ATOM 0 HG21 VAL B 37 5.220 -5.045 -0.889 1.00 1.36 H new ATOM 0 HG22 VAL B 37 3.569 -5.701 -1.009 1.00 1.36 H new ATOM 0 HG23 VAL B 37 4.649 -5.744 -2.423 1.00 1.36 H new ATOM 1822 N ASN B 38 1.229 -1.973 -3.094 1.00 0.54 N ATOM 1823 CA ASN B 38 0.842 -0.663 -3.595 1.00 0.54 C ATOM 1824 C ASN B 38 1.170 0.399 -2.557 1.00 0.52 C ATOM 1825 O ASN B 38 0.734 0.309 -1.408 1.00 0.60 O ATOM 1826 CB ASN B 38 -0.653 -0.639 -3.941 1.00 0.66 C ATOM 1827 CG ASN B 38 -1.290 0.725 -3.732 1.00 0.92 C ATOM 1828 OD1 ASN B 38 -1.946 0.970 -2.718 1.00 1.67 O ATOM 1829 ND2 ASN B 38 -1.110 1.622 -4.689 1.00 1.37 N ATOM 0 H ASN B 38 0.601 -2.357 -2.388 1.00 0.54 H new ATOM 0 HA ASN B 38 1.402 -0.451 -4.506 1.00 0.54 H new ATOM 0 HB2 ASN B 38 -0.784 -0.940 -4.980 1.00 0.66 H new ATOM 0 HB3 ASN B 38 -1.174 -1.375 -3.328 1.00 0.66 H new ATOM 0 HD21 ASN B 38 -1.521 2.551 -4.601 1.00 1.37 H new ATOM 0 HD22 ASN B 38 -0.561 1.384 -5.515 1.00 1.37 H new ATOM 1836 N VAL B 39 2.004 1.352 -2.939 1.00 0.48 N ATOM 1837 CA VAL B 39 2.441 2.394 -2.024 1.00 0.49 C ATOM 1838 C VAL B 39 2.169 3.772 -2.610 1.00 0.46 C ATOM 1839 O VAL B 39 1.944 3.914 -3.814 1.00 0.48 O ATOM 1840 CB VAL B 39 3.948 2.280 -1.697 1.00 0.54 C ATOM 1841 CG1 VAL B 39 4.188 2.474 -0.208 1.00 0.77 C ATOM 1842 CG2 VAL B 39 4.519 0.945 -2.165 1.00 0.54 C ATOM 0 H VAL B 39 2.393 1.426 -3.879 1.00 0.48 H new ATOM 0 HA VAL B 39 1.873 2.262 -1.103 1.00 0.49 H new ATOM 0 HB VAL B 39 4.467 3.071 -2.238 1.00 0.54 H new ATOM 0 HG11 VAL B 39 5.254 2.390 0.003 1.00 0.77 H new ATOM 0 HG12 VAL B 39 3.835 3.461 0.092 1.00 0.77 H new ATOM 0 HG13 VAL B 39 3.647 1.710 0.350 1.00 0.77 H new ATOM 0 HG21 VAL B 39 5.580 0.897 -1.920 1.00 0.54 H new ATOM 0 HG22 VAL B 39 3.994 0.130 -1.666 1.00 0.54 H new ATOM 0 HG23 VAL B 39 4.391 0.853 -3.244 1.00 0.54 H new ATOM 1852 N ASN B 40 2.210 4.784 -1.761 1.00 0.52 N ATOM 1853 CA ASN B 40 1.993 6.155 -2.193 1.00 0.57 C ATOM 1854 C ASN B 40 3.121 7.052 -1.698 1.00 0.56 C ATOM 1855 O ASN B 40 3.372 7.165 -0.498 1.00 0.72 O ATOM 1856 CB ASN B 40 0.631 6.675 -1.708 1.00 0.77 C ATOM 1857 CG ASN B 40 0.406 6.472 -0.218 1.00 1.47 C ATOM 1858 OD1 ASN B 40 0.652 7.371 0.590 1.00 2.28 O ATOM 1859 ND2 ASN B 40 -0.089 5.302 0.152 1.00 1.99 N ATOM 0 H ASN B 40 2.393 4.682 -0.763 1.00 0.52 H new ATOM 0 HA ASN B 40 1.989 6.174 -3.283 1.00 0.57 H new ATOM 0 HB2 ASN B 40 0.552 7.737 -1.939 1.00 0.77 H new ATOM 0 HB3 ASN B 40 -0.161 6.169 -2.260 1.00 0.77 H new ATOM 0 HD21 ASN B 40 -0.281 5.118 1.137 1.00 1.99 H new ATOM 0 HD22 ASN B 40 -0.279 4.584 -0.548 1.00 1.99 H new ATOM 1866 N PHE B 41 3.824 7.660 -2.637 1.00 0.48 N ATOM 1867 CA PHE B 41 4.937 8.537 -2.311 1.00 0.55 C ATOM 1868 C PHE B 41 4.657 9.948 -2.799 1.00 0.60 C ATOM 1869 O PHE B 41 4.124 10.137 -3.890 1.00 0.76 O ATOM 1870 CB PHE B 41 6.238 8.037 -2.950 1.00 0.66 C ATOM 1871 CG PHE B 41 6.430 6.549 -2.889 1.00 0.67 C ATOM 1872 CD1 PHE B 41 6.723 5.927 -1.686 1.00 1.12 C ATOM 1873 CD2 PHE B 41 6.300 5.771 -4.026 1.00 1.04 C ATOM 1874 CE1 PHE B 41 6.891 4.558 -1.619 1.00 1.26 C ATOM 1875 CE2 PHE B 41 6.463 4.402 -3.966 1.00 1.08 C ATOM 1876 CZ PHE B 41 6.812 3.799 -2.790 1.00 0.93 C ATOM 0 H PHE B 41 3.643 7.562 -3.636 1.00 0.48 H new ATOM 0 HA PHE B 41 5.051 8.537 -1.227 1.00 0.55 H new ATOM 0 HB2 PHE B 41 6.259 8.351 -3.994 1.00 0.66 H new ATOM 0 HB3 PHE B 41 7.080 8.520 -2.455 1.00 0.66 H new ATOM 0 HD1 PHE B 41 6.821 6.521 -0.789 1.00 1.12 H new ATOM 0 HD2 PHE B 41 6.068 6.240 -4.971 1.00 1.04 H new ATOM 0 HE1 PHE B 41 7.082 4.078 -0.670 1.00 1.26 H new ATOM 0 HE2 PHE B 41 6.314 3.804 -4.853 1.00 1.08 H new ATOM 0 HZ PHE B 41 7.026 2.741 -2.766 1.00 0.93 H new ATOM 1886 N ASP B 42 5.073 10.932 -2.016 1.00 0.56 N ATOM 1887 CA ASP B 42 4.933 12.333 -2.402 1.00 0.59 C ATOM 1888 C ASP B 42 5.717 12.604 -3.679 1.00 0.54 C ATOM 1889 O ASP B 42 6.680 11.902 -3.983 1.00 0.51 O ATOM 1890 CB ASP B 42 5.435 13.241 -1.281 1.00 0.68 C ATOM 1891 CG ASP B 42 5.274 14.718 -1.589 1.00 1.22 C ATOM 1892 OD1 ASP B 42 4.157 15.252 -1.440 1.00 1.66 O ATOM 1893 OD2 ASP B 42 6.275 15.362 -1.961 1.00 2.03 O ATOM 0 H ASP B 42 5.512 10.788 -1.107 1.00 0.56 H new ATOM 0 HA ASP B 42 3.879 12.543 -2.581 1.00 0.59 H new ATOM 0 HB2 ASP B 42 4.895 13.007 -0.364 1.00 0.68 H new ATOM 0 HB3 ASP B 42 6.488 13.028 -1.094 1.00 0.68 H new ATOM 1898 N GLU B 43 5.274 13.591 -4.441 1.00 0.63 N ATOM 1899 CA GLU B 43 5.893 13.916 -5.719 1.00 0.67 C ATOM 1900 C GLU B 43 7.363 14.291 -5.549 1.00 0.56 C ATOM 1901 O GLU B 43 8.186 13.984 -6.409 1.00 0.60 O ATOM 1902 CB GLU B 43 5.129 15.039 -6.410 1.00 0.87 C ATOM 1903 CG GLU B 43 4.429 14.586 -7.679 1.00 1.09 C ATOM 1904 CD GLU B 43 5.402 14.295 -8.803 1.00 1.11 C ATOM 1905 OE1 GLU B 43 6.052 15.239 -9.303 1.00 1.73 O ATOM 1906 OE2 GLU B 43 5.522 13.119 -9.195 1.00 1.63 O ATOM 0 H GLU B 43 4.482 14.186 -4.196 1.00 0.63 H new ATOM 0 HA GLU B 43 5.850 13.026 -6.346 1.00 0.67 H new ATOM 0 HB2 GLU B 43 4.390 15.447 -5.720 1.00 0.87 H new ATOM 0 HB3 GLU B 43 5.820 15.847 -6.651 1.00 0.87 H new ATOM 0 HG2 GLU B 43 3.844 13.691 -7.468 1.00 1.09 H new ATOM 0 HG3 GLU B 43 3.728 15.357 -7.999 1.00 1.09 H new ATOM 1913 N GLU B 44 7.707 14.828 -4.385 1.00 0.52 N ATOM 1914 CA GLU B 44 9.099 15.097 -4.049 1.00 0.54 C ATOM 1915 C GLU B 44 9.886 13.791 -4.010 1.00 0.53 C ATOM 1916 O GLU B 44 10.856 13.605 -4.751 1.00 0.57 O ATOM 1917 CB GLU B 44 9.188 15.782 -2.688 1.00 0.62 C ATOM 1918 CG GLU B 44 10.274 16.841 -2.603 1.00 0.91 C ATOM 1919 CD GLU B 44 11.536 16.332 -1.933 1.00 1.74 C ATOM 1920 OE1 GLU B 44 12.008 15.233 -2.293 1.00 2.36 O ATOM 1921 OE2 GLU B 44 12.053 17.015 -1.030 1.00 2.52 O ATOM 0 H GLU B 44 7.040 15.086 -3.657 1.00 0.52 H new ATOM 0 HA GLU B 44 9.521 15.753 -4.810 1.00 0.54 H new ATOM 0 HB2 GLU B 44 8.227 16.242 -2.460 1.00 0.62 H new ATOM 0 HB3 GLU B 44 9.369 15.027 -1.923 1.00 0.62 H new ATOM 0 HG2 GLU B 44 10.516 17.189 -3.607 1.00 0.91 H new ATOM 0 HG3 GLU B 44 9.895 17.701 -2.050 1.00 0.91 H new ATOM 1928 N LYS B 45 9.396 12.864 -3.197 1.00 0.52 N ATOM 1929 CA LYS B 45 9.984 11.538 -3.067 1.00 0.56 C ATOM 1930 C LYS B 45 10.003 10.818 -4.414 1.00 0.55 C ATOM 1931 O LYS B 45 10.940 10.089 -4.732 1.00 0.59 O ATOM 1932 CB LYS B 45 9.178 10.730 -2.046 1.00 0.61 C ATOM 1933 CG LYS B 45 9.921 9.539 -1.470 1.00 0.75 C ATOM 1934 CD LYS B 45 8.996 8.663 -0.644 1.00 0.96 C ATOM 1935 CE LYS B 45 9.578 8.367 0.727 1.00 1.30 C ATOM 1936 NZ LYS B 45 8.642 8.736 1.822 1.00 1.74 N ATOM 0 H LYS B 45 8.577 13.012 -2.607 1.00 0.52 H new ATOM 0 HA LYS B 45 11.014 11.637 -2.725 1.00 0.56 H new ATOM 0 HB2 LYS B 45 8.882 11.389 -1.230 1.00 0.61 H new ATOM 0 HB3 LYS B 45 8.262 10.378 -2.520 1.00 0.61 H new ATOM 0 HG2 LYS B 45 10.356 8.952 -2.279 1.00 0.75 H new ATOM 0 HG3 LYS B 45 10.747 9.887 -0.850 1.00 0.75 H new ATOM 0 HD2 LYS B 45 8.031 9.158 -0.531 1.00 0.96 H new ATOM 0 HD3 LYS B 45 8.814 7.727 -1.172 1.00 0.96 H new ATOM 0 HE2 LYS B 45 9.818 7.306 0.797 1.00 1.30 H new ATOM 0 HE3 LYS B 45 10.513 8.914 0.850 1.00 1.30 H new ATOM 0 HZ1 LYS B 45 9.085 8.533 2.741 1.00 1.74 H new ATOM 0 HZ2 LYS B 45 8.419 9.750 1.761 1.00 1.74 H new ATOM 0 HZ3 LYS B 45 7.766 8.183 1.731 1.00 1.74 H new ATOM 1950 N HIS B 46 8.975 11.066 -5.211 1.00 0.52 N ATOM 1951 CA HIS B 46 8.858 10.461 -6.531 1.00 0.55 C ATOM 1952 C HIS B 46 9.924 11.010 -7.483 1.00 0.56 C ATOM 1953 O HIS B 46 10.592 10.247 -8.181 1.00 0.58 O ATOM 1954 CB HIS B 46 7.453 10.697 -7.099 1.00 0.59 C ATOM 1955 CG HIS B 46 7.224 10.056 -8.434 1.00 0.70 C ATOM 1956 ND1 HIS B 46 6.712 10.738 -9.513 1.00 0.94 N ATOM 1957 CD2 HIS B 46 7.459 8.794 -8.867 1.00 0.81 C ATOM 1958 CE1 HIS B 46 6.646 9.929 -10.554 1.00 1.07 C ATOM 1959 NE2 HIS B 46 7.093 8.743 -10.188 1.00 0.99 N ATOM 0 H HIS B 46 8.204 11.687 -4.965 1.00 0.52 H new ATOM 0 HA HIS B 46 9.019 9.388 -6.431 1.00 0.55 H new ATOM 0 HB2 HIS B 46 6.717 10.315 -6.392 1.00 0.59 H new ATOM 0 HB3 HIS B 46 7.283 11.770 -7.188 1.00 0.59 H new ATOM 0 HD1 HIS B 46 6.427 11.717 -9.509 1.00 0.94 H new ATOM 0 HD2 HIS B 46 7.860 7.980 -8.281 1.00 0.81 H new ATOM 0 HE1 HIS B 46 6.287 10.193 -11.538 1.00 1.07 H new ATOM 1968 N THR B 47 10.114 12.325 -7.464 1.00 0.59 N ATOM 1969 CA THR B 47 11.137 12.970 -8.281 1.00 0.64 C ATOM 1970 C THR B 47 12.528 12.503 -7.855 1.00 0.62 C ATOM 1971 O THR B 47 13.384 12.202 -8.693 1.00 0.65 O ATOM 1972 CB THR B 47 11.049 14.507 -8.178 1.00 0.71 C ATOM 1973 OG1 THR B 47 9.689 14.933 -8.370 1.00 0.85 O ATOM 1974 CG2 THR B 47 11.937 15.176 -9.213 1.00 0.79 C ATOM 0 H THR B 47 9.570 12.968 -6.889 1.00 0.59 H new ATOM 0 HA THR B 47 10.962 12.685 -9.319 1.00 0.64 H new ATOM 0 HB THR B 47 11.391 14.799 -7.185 1.00 0.71 H new ATOM 0 HG1 THR B 47 9.220 14.929 -7.509 1.00 0.85 H new ATOM 0 HG21 THR B 47 11.855 16.259 -9.117 1.00 0.79 H new ATOM 0 HG22 THR B 47 12.972 14.875 -9.053 1.00 0.79 H new ATOM 0 HG23 THR B 47 11.622 14.875 -10.212 1.00 0.79 H new ATOM 1982 N ARG B 48 12.708 12.352 -6.549 1.00 0.59 N ATOM 1983 CA ARG B 48 13.949 11.836 -5.995 1.00 0.61 C ATOM 1984 C ARG B 48 14.173 10.398 -6.445 1.00 0.54 C ATOM 1985 O ARG B 48 15.270 10.029 -6.854 1.00 0.56 O ATOM 1986 CB ARG B 48 13.910 11.901 -4.471 1.00 0.66 C ATOM 1987 CG ARG B 48 14.977 12.792 -3.874 1.00 0.93 C ATOM 1988 CD ARG B 48 14.862 12.843 -2.362 1.00 1.46 C ATOM 1989 NE ARG B 48 14.405 14.147 -1.890 1.00 1.67 N ATOM 1990 CZ ARG B 48 15.181 15.031 -1.266 1.00 1.70 C ATOM 1991 NH1 ARG B 48 16.470 14.770 -1.069 1.00 1.82 N ATOM 1992 NH2 ARG B 48 14.667 16.179 -0.841 1.00 2.26 N ATOM 0 H ARG B 48 12.002 12.583 -5.850 1.00 0.59 H new ATOM 0 HA ARG B 48 14.773 12.451 -6.358 1.00 0.61 H new ATOM 0 HB2 ARG B 48 12.930 12.261 -4.156 1.00 0.66 H new ATOM 0 HB3 ARG B 48 14.024 10.894 -4.070 1.00 0.66 H new ATOM 0 HG2 ARG B 48 15.963 12.422 -4.155 1.00 0.93 H new ATOM 0 HG3 ARG B 48 14.886 13.798 -4.283 1.00 0.93 H new ATOM 0 HD2 ARG B 48 14.168 12.073 -2.025 1.00 1.46 H new ATOM 0 HD3 ARG B 48 15.831 12.616 -1.917 1.00 1.46 H new ATOM 0 HE ARG B 48 13.429 14.397 -2.048 1.00 1.67 H new ATOM 0 HH11 ARG B 48 16.868 13.890 -1.396 1.00 1.82 H new ATOM 0 HH12 ARG B 48 17.061 15.450 -0.591 1.00 1.82 H new ATOM 0 HH21 ARG B 48 13.679 16.383 -0.993 1.00 2.26 H new ATOM 0 HH22 ARG B 48 15.260 16.857 -0.363 1.00 2.26 H new ATOM 2006 N PHE B 49 13.115 9.601 -6.378 1.00 0.49 N ATOM 2007 CA PHE B 49 13.179 8.201 -6.772 1.00 0.45 C ATOM 2008 C PHE B 49 13.536 8.065 -8.245 1.00 0.47 C ATOM 2009 O PHE B 49 14.317 7.191 -8.623 1.00 0.48 O ATOM 2010 CB PHE B 49 11.844 7.509 -6.498 1.00 0.48 C ATOM 2011 CG PHE B 49 11.977 6.213 -5.754 1.00 0.38 C ATOM 2012 CD1 PHE B 49 13.159 5.883 -5.106 1.00 1.06 C ATOM 2013 CD2 PHE B 49 10.918 5.324 -5.697 1.00 0.83 C ATOM 2014 CE1 PHE B 49 13.280 4.691 -4.421 1.00 1.27 C ATOM 2015 CE2 PHE B 49 11.032 4.131 -5.011 1.00 0.87 C ATOM 2016 CZ PHE B 49 12.215 3.813 -4.374 1.00 0.85 C ATOM 0 H PHE B 49 12.197 9.903 -6.052 1.00 0.49 H new ATOM 0 HA PHE B 49 13.959 7.722 -6.180 1.00 0.45 H new ATOM 0 HB2 PHE B 49 11.207 8.183 -5.925 1.00 0.48 H new ATOM 0 HB3 PHE B 49 11.340 7.323 -7.446 1.00 0.48 H new ATOM 0 HD1 PHE B 49 13.994 6.567 -5.138 1.00 1.06 H new ATOM 0 HD2 PHE B 49 9.991 5.566 -6.195 1.00 0.83 H new ATOM 0 HE1 PHE B 49 14.206 4.445 -3.923 1.00 1.27 H new ATOM 0 HE2 PHE B 49 10.197 3.447 -4.973 1.00 0.87 H new ATOM 0 HZ PHE B 49 12.307 2.879 -3.840 1.00 0.85 H new ATOM 2026 N LYS B 50 12.982 8.950 -9.070 1.00 0.50 N ATOM 2027 CA LYS B 50 13.260 8.946 -10.499 1.00 0.54 C ATOM 2028 C LYS B 50 14.739 9.220 -10.755 1.00 0.53 C ATOM 2029 O LYS B 50 15.376 8.556 -11.577 1.00 0.52 O ATOM 2030 CB LYS B 50 12.398 9.989 -11.209 1.00 0.63 C ATOM 2031 CG LYS B 50 10.978 9.521 -11.474 1.00 0.91 C ATOM 2032 CD LYS B 50 10.916 8.589 -12.671 1.00 1.54 C ATOM 2033 CE LYS B 50 9.615 8.752 -13.437 1.00 2.02 C ATOM 2034 NZ LYS B 50 9.820 8.640 -14.904 1.00 2.55 N ATOM 0 H LYS B 50 12.336 9.680 -8.770 1.00 0.50 H new ATOM 0 HA LYS B 50 13.016 7.961 -10.897 1.00 0.54 H new ATOM 0 HB2 LYS B 50 12.367 10.896 -10.605 1.00 0.63 H new ATOM 0 HB3 LYS B 50 12.868 10.254 -12.156 1.00 0.63 H new ATOM 0 HG2 LYS B 50 10.591 9.010 -10.592 1.00 0.91 H new ATOM 0 HG3 LYS B 50 10.336 10.384 -11.649 1.00 0.91 H new ATOM 0 HD2 LYS B 50 11.757 8.790 -13.334 1.00 1.54 H new ATOM 0 HD3 LYS B 50 11.015 7.557 -12.335 1.00 1.54 H new ATOM 0 HE2 LYS B 50 8.904 7.993 -13.111 1.00 2.02 H new ATOM 0 HE3 LYS B 50 9.176 9.722 -13.205 1.00 2.02 H new ATOM 0 HZ1 LYS B 50 8.909 8.757 -15.392 1.00 2.55 H new ATOM 0 HZ2 LYS B 50 10.479 9.380 -15.220 1.00 2.55 H new ATOM 0 HZ3 LYS B 50 10.216 7.705 -15.129 1.00 2.55 H new ATOM 2048 N ALA B 51 15.300 10.146 -9.991 1.00 0.56 N ATOM 2049 CA ALA B 51 16.717 10.452 -10.092 1.00 0.61 C ATOM 2050 C ALA B 51 17.553 9.299 -9.547 1.00 0.57 C ATOM 2051 O ALA B 51 18.610 8.980 -10.082 1.00 0.58 O ATOM 2052 CB ALA B 51 17.037 11.742 -9.349 1.00 0.71 C ATOM 0 H ALA B 51 14.796 10.697 -9.296 1.00 0.56 H new ATOM 0 HA ALA B 51 16.966 10.589 -11.144 1.00 0.61 H new ATOM 0 HB1 ALA B 51 18.102 11.957 -9.435 1.00 0.71 H new ATOM 0 HB2 ALA B 51 16.466 12.563 -9.782 1.00 0.71 H new ATOM 0 HB3 ALA B 51 16.773 11.631 -8.297 1.00 0.71 H new ATOM 2058 N ALA B 52 17.072 8.689 -8.470 1.00 0.55 N ATOM 2059 CA ALA B 52 17.781 7.593 -7.821 1.00 0.59 C ATOM 2060 C ALA B 52 17.917 6.380 -8.739 1.00 0.51 C ATOM 2061 O ALA B 52 19.015 5.851 -8.915 1.00 0.54 O ATOM 2062 CB ALA B 52 17.079 7.204 -6.529 1.00 0.67 C ATOM 0 H ALA B 52 16.188 8.937 -8.026 1.00 0.55 H new ATOM 0 HA ALA B 52 18.787 7.942 -7.590 1.00 0.59 H new ATOM 0 HB1 ALA B 52 17.619 6.384 -6.054 1.00 0.67 H new ATOM 0 HB2 ALA B 52 17.055 8.061 -5.856 1.00 0.67 H new ATOM 0 HB3 ALA B 52 16.060 6.887 -6.750 1.00 0.67 H new ATOM 2068 N CYS B 53 16.805 5.937 -9.324 1.00 0.48 N ATOM 2069 CA CYS B 53 16.830 4.775 -10.209 1.00 0.53 C ATOM 2070 C CYS B 53 17.639 5.074 -11.467 1.00 0.50 C ATOM 2071 O CYS B 53 18.366 4.213 -11.963 1.00 0.56 O ATOM 2072 CB CYS B 53 15.414 4.330 -10.584 1.00 0.68 C ATOM 2073 SG CYS B 53 14.326 5.663 -11.135 1.00 1.15 S ATOM 0 H CYS B 53 15.885 6.360 -9.203 1.00 0.48 H new ATOM 0 HA CYS B 53 17.309 3.959 -9.669 1.00 0.53 H new ATOM 0 HB2 CYS B 53 15.480 3.583 -11.375 1.00 0.68 H new ATOM 0 HB3 CYS B 53 14.960 3.842 -9.721 1.00 0.68 H new ATOM 0 HG CYS B 53 14.016 6.417 -10.122 1.00 1.15 H new ATOM 2079 N ALA B 54 17.570 6.319 -11.933 1.00 0.51 N ATOM 2080 CA ALA B 54 18.349 6.746 -13.092 1.00 0.59 C ATOM 2081 C ALA B 54 19.841 6.762 -12.764 1.00 0.59 C ATOM 2082 O ALA B 54 20.669 6.326 -13.567 1.00 0.70 O ATOM 2083 CB ALA B 54 17.895 8.120 -13.562 1.00 0.69 C ATOM 0 H ALA B 54 16.984 7.048 -11.527 1.00 0.51 H new ATOM 0 HA ALA B 54 18.182 6.031 -13.897 1.00 0.59 H new ATOM 0 HB1 ALA B 54 18.486 8.423 -14.426 1.00 0.69 H new ATOM 0 HB2 ALA B 54 16.842 8.080 -13.839 1.00 0.69 H new ATOM 0 HB3 ALA B 54 18.032 8.843 -12.758 1.00 0.69 H new ATOM 2089 N ARG B 55 20.170 7.230 -11.565 1.00 0.55 N ATOM 2090 CA ARG B 55 21.552 7.281 -11.106 1.00 0.64 C ATOM 2091 C ARG B 55 22.113 5.877 -10.939 1.00 0.59 C ATOM 2092 O ARG B 55 23.255 5.602 -11.306 1.00 0.76 O ATOM 2093 CB ARG B 55 21.635 8.029 -9.775 1.00 0.72 C ATOM 2094 CG ARG B 55 22.468 9.292 -9.844 1.00 1.03 C ATOM 2095 CD ARG B 55 21.594 10.515 -10.047 1.00 1.37 C ATOM 2096 NE ARG B 55 21.628 11.410 -8.893 1.00 1.97 N ATOM 2097 CZ ARG B 55 21.951 12.700 -8.963 1.00 2.64 C ATOM 2098 NH1 ARG B 55 22.284 13.244 -10.127 1.00 2.89 N ATOM 2099 NH2 ARG B 55 21.942 13.445 -7.867 1.00 3.60 N ATOM 0 H ARG B 55 19.492 7.582 -10.889 1.00 0.55 H new ATOM 0 HA ARG B 55 22.143 7.809 -11.855 1.00 0.64 H new ATOM 0 HB2 ARG B 55 20.627 8.285 -9.447 1.00 0.72 H new ATOM 0 HB3 ARG B 55 22.057 7.366 -9.020 1.00 0.72 H new ATOM 0 HG2 ARG B 55 23.044 9.402 -8.925 1.00 1.03 H new ATOM 0 HG3 ARG B 55 23.185 9.214 -10.662 1.00 1.03 H new ATOM 0 HD2 ARG B 55 21.926 11.055 -10.934 1.00 1.37 H new ATOM 0 HD3 ARG B 55 20.567 10.200 -10.231 1.00 1.37 H new ATOM 0 HE ARG B 55 21.390 11.024 -7.979 1.00 1.97 H new ATOM 0 HH11 ARG B 55 22.293 12.674 -10.973 1.00 2.89 H new ATOM 0 HH12 ARG B 55 22.531 14.233 -10.176 1.00 2.89 H new ATOM 0 HH21 ARG B 55 21.688 13.030 -6.970 1.00 3.60 H new ATOM 0 HH22 ARG B 55 22.189 14.433 -7.920 1.00 3.60 H new ATOM 2113 N LYS B 56 21.299 4.996 -10.375 1.00 0.47 N ATOM 2114 CA LYS B 56 21.704 3.617 -10.153 1.00 0.52 C ATOM 2115 C LYS B 56 21.723 2.850 -11.472 1.00 0.51 C ATOM 2116 O LYS B 56 22.415 1.841 -11.610 1.00 0.60 O ATOM 2117 CB LYS B 56 20.758 2.944 -9.150 1.00 0.61 C ATOM 2118 CG LYS B 56 21.445 2.472 -7.877 1.00 0.74 C ATOM 2119 CD LYS B 56 21.934 3.644 -7.035 1.00 0.91 C ATOM 2120 CE LYS B 56 22.415 3.185 -5.667 1.00 1.62 C ATOM 2121 NZ LYS B 56 23.727 3.785 -5.307 1.00 1.85 N ATOM 0 H LYS B 56 20.353 5.213 -10.063 1.00 0.47 H new ATOM 0 HA LYS B 56 22.712 3.609 -9.738 1.00 0.52 H new ATOM 0 HB2 LYS B 56 19.966 3.645 -8.886 1.00 0.61 H new ATOM 0 HB3 LYS B 56 20.281 2.091 -9.632 1.00 0.61 H new ATOM 0 HG2 LYS B 56 20.752 1.867 -7.292 1.00 0.74 H new ATOM 0 HG3 LYS B 56 22.288 1.831 -8.134 1.00 0.74 H new ATOM 0 HD2 LYS B 56 22.745 4.154 -7.555 1.00 0.91 H new ATOM 0 HD3 LYS B 56 21.128 4.368 -6.914 1.00 0.91 H new ATOM 0 HE2 LYS B 56 21.675 3.454 -4.914 1.00 1.62 H new ATOM 0 HE3 LYS B 56 22.499 2.098 -5.658 1.00 1.62 H new ATOM 0 HZ1 LYS B 56 24.018 3.446 -4.368 1.00 1.85 H new ATOM 0 HZ2 LYS B 56 24.440 3.508 -6.011 1.00 1.85 H new ATOM 0 HZ3 LYS B 56 23.642 4.821 -5.290 1.00 1.85 H new ATOM 2135 N GLY B 57 20.996 3.367 -12.455 1.00 0.46 N ATOM 2136 CA GLY B 57 20.967 2.757 -13.767 1.00 0.51 C ATOM 2137 C GLY B 57 20.147 1.489 -13.788 1.00 0.59 C ATOM 2138 O GLY B 57 20.598 0.459 -14.290 1.00 0.75 O ATOM 0 H GLY B 57 20.422 4.205 -12.363 1.00 0.46 H new ATOM 0 HA2 GLY B 57 20.556 3.465 -14.486 1.00 0.51 H new ATOM 0 HA3 GLY B 57 21.986 2.534 -14.085 1.00 0.51 H new ATOM 2142 N THR B 58 18.954 1.552 -13.219 1.00 0.63 N ATOM 2143 CA THR B 58 18.095 0.387 -13.134 1.00 0.77 C ATOM 2144 C THR B 58 16.628 0.799 -13.032 1.00 0.62 C ATOM 2145 O THR B 58 16.316 1.986 -12.900 1.00 0.57 O ATOM 2146 CB THR B 58 18.495 -0.495 -11.929 1.00 1.02 C ATOM 2147 OG1 THR B 58 17.951 -1.815 -12.068 1.00 1.92 O ATOM 2148 CG2 THR B 58 18.033 0.119 -10.615 1.00 0.92 C ATOM 0 H THR B 58 18.560 2.399 -12.810 1.00 0.63 H new ATOM 0 HA THR B 58 18.222 -0.195 -14.047 1.00 0.77 H new ATOM 0 HB THR B 58 19.583 -0.557 -11.914 1.00 1.02 H new ATOM 0 HG1 THR B 58 18.215 -2.360 -11.298 1.00 1.92 H new ATOM 0 HG21 THR B 58 18.330 -0.526 -9.788 1.00 0.92 H new ATOM 0 HG22 THR B 58 18.490 1.101 -10.492 1.00 0.92 H new ATOM 0 HG23 THR B 58 16.948 0.222 -10.623 1.00 0.92 H new ATOM 2156 N SER B 59 15.738 -0.184 -13.112 1.00 0.66 N ATOM 2157 CA SER B 59 14.305 0.053 -13.025 1.00 0.66 C ATOM 2158 C SER B 59 13.917 0.531 -11.629 1.00 0.62 C ATOM 2159 O SER B 59 14.571 0.184 -10.641 1.00 0.66 O ATOM 2160 CB SER B 59 13.564 -1.235 -13.379 1.00 0.78 C ATOM 2161 OG SER B 59 14.473 -2.211 -13.868 1.00 0.87 O ATOM 0 H SER B 59 15.990 -1.164 -13.239 1.00 0.66 H new ATOM 0 HA SER B 59 14.027 0.837 -13.730 1.00 0.66 H new ATOM 0 HB2 SER B 59 13.047 -1.618 -12.499 1.00 0.78 H new ATOM 0 HB3 SER B 59 12.802 -1.029 -14.131 1.00 0.78 H new ATOM 0 HG SER B 59 13.985 -3.031 -14.089 1.00 0.87 H new ATOM 2167 N ILE B 60 12.879 1.355 -11.551 1.00 0.66 N ATOM 2168 CA ILE B 60 12.456 1.922 -10.280 1.00 0.73 C ATOM 2169 C ILE B 60 11.961 0.837 -9.325 1.00 0.76 C ATOM 2170 O ILE B 60 12.153 0.934 -8.119 1.00 0.85 O ATOM 2171 CB ILE B 60 11.371 3.013 -10.468 1.00 0.85 C ATOM 2172 CG1 ILE B 60 11.223 3.841 -9.189 1.00 0.97 C ATOM 2173 CG2 ILE B 60 10.035 2.403 -10.873 1.00 1.00 C ATOM 2174 CD1 ILE B 60 10.542 5.178 -9.403 1.00 0.91 C ATOM 0 H ILE B 60 12.317 1.644 -12.352 1.00 0.66 H new ATOM 0 HA ILE B 60 13.332 2.396 -9.838 1.00 0.73 H new ATOM 0 HB ILE B 60 11.691 3.671 -11.276 1.00 0.85 H new ATOM 0 HG12 ILE B 60 10.654 3.266 -8.459 1.00 0.97 H new ATOM 0 HG13 ILE B 60 12.211 4.011 -8.761 1.00 0.97 H new ATOM 0 HG21 ILE B 60 9.296 3.195 -10.997 1.00 1.00 H new ATOM 0 HG22 ILE B 60 10.151 1.865 -11.814 1.00 1.00 H new ATOM 0 HG23 ILE B 60 9.701 1.712 -10.099 1.00 1.00 H new ATOM 0 HD11 ILE B 60 10.473 5.707 -8.453 1.00 0.91 H new ATOM 0 HD12 ILE B 60 11.122 5.773 -10.109 1.00 0.91 H new ATOM 0 HD13 ILE B 60 9.541 5.017 -9.802 1.00 0.91 H new ATOM 2186 N THR B 61 11.380 -0.222 -9.867 1.00 0.79 N ATOM 2187 CA THR B 61 10.895 -1.320 -9.048 1.00 0.85 C ATOM 2188 C THR B 61 12.053 -2.062 -8.380 1.00 0.77 C ATOM 2189 O THR B 61 11.928 -2.562 -7.258 1.00 0.75 O ATOM 2190 CB THR B 61 10.075 -2.301 -9.901 1.00 1.01 C ATOM 2191 OG1 THR B 61 10.034 -1.832 -11.257 1.00 1.12 O ATOM 2192 CG2 THR B 61 8.659 -2.435 -9.363 1.00 1.14 C ATOM 0 H THR B 61 11.233 -0.344 -10.869 1.00 0.79 H new ATOM 0 HA THR B 61 10.258 -0.900 -8.270 1.00 0.85 H new ATOM 0 HB THR B 61 10.551 -3.281 -9.861 1.00 1.01 H new ATOM 0 HG1 THR B 61 9.513 -2.457 -11.804 1.00 1.12 H new ATOM 0 HG21 THR B 61 8.099 -3.134 -9.983 1.00 1.14 H new ATOM 0 HG22 THR B 61 8.693 -2.805 -8.338 1.00 1.14 H new ATOM 0 HG23 THR B 61 8.169 -1.461 -9.381 1.00 1.14 H new ATOM 2200 N ASP B 62 13.189 -2.099 -9.067 1.00 0.74 N ATOM 2201 CA ASP B 62 14.367 -2.787 -8.563 1.00 0.73 C ATOM 2202 C ASP B 62 14.956 -2.071 -7.357 1.00 0.62 C ATOM 2203 O ASP B 62 15.372 -2.711 -6.391 1.00 0.61 O ATOM 2204 CB ASP B 62 15.426 -2.907 -9.658 1.00 0.82 C ATOM 2205 CG ASP B 62 16.197 -4.205 -9.563 1.00 1.16 C ATOM 2206 OD1 ASP B 62 17.139 -4.286 -8.747 1.00 1.68 O ATOM 2207 OD2 ASP B 62 15.865 -5.153 -10.303 1.00 1.81 O ATOM 0 H ASP B 62 13.317 -1.658 -9.978 1.00 0.74 H new ATOM 0 HA ASP B 62 14.056 -3.784 -8.251 1.00 0.73 H new ATOM 0 HB2 ASP B 62 14.946 -2.841 -10.635 1.00 0.82 H new ATOM 0 HB3 ASP B 62 16.118 -2.068 -9.586 1.00 0.82 H new ATOM 2212 N VAL B 63 14.976 -0.743 -7.398 1.00 0.60 N ATOM 2213 CA VAL B 63 15.523 0.029 -6.287 1.00 0.57 C ATOM 2214 C VAL B 63 14.623 -0.077 -5.060 1.00 0.56 C ATOM 2215 O VAL B 63 15.115 -0.103 -3.932 1.00 0.59 O ATOM 2216 CB VAL B 63 15.767 1.516 -6.639 1.00 0.62 C ATOM 2217 CG1 VAL B 63 16.591 1.642 -7.907 1.00 0.81 C ATOM 2218 CG2 VAL B 63 14.466 2.289 -6.774 1.00 1.01 C ATOM 0 H VAL B 63 14.625 -0.185 -8.176 1.00 0.60 H new ATOM 0 HA VAL B 63 16.496 -0.408 -6.065 1.00 0.57 H new ATOM 0 HB VAL B 63 16.326 1.954 -5.812 1.00 0.62 H new ATOM 0 HG11 VAL B 63 16.750 2.696 -8.135 1.00 0.81 H new ATOM 0 HG12 VAL B 63 17.554 1.152 -7.765 1.00 0.81 H new ATOM 0 HG13 VAL B 63 16.062 1.168 -8.734 1.00 0.81 H new ATOM 0 HG21 VAL B 63 14.684 3.328 -7.021 1.00 1.01 H new ATOM 0 HG22 VAL B 63 13.860 1.847 -7.565 1.00 1.01 H new ATOM 0 HG23 VAL B 63 13.919 2.248 -5.832 1.00 1.01 H new ATOM 2228 N VAL B 64 13.325 -0.278 -5.282 1.00 0.55 N ATOM 2229 CA VAL B 64 12.397 -0.509 -4.180 1.00 0.56 C ATOM 2230 C VAL B 64 12.720 -1.841 -3.509 1.00 0.55 C ATOM 2231 O VAL B 64 12.799 -1.942 -2.285 1.00 0.57 O ATOM 2232 CB VAL B 64 10.927 -0.519 -4.643 1.00 0.57 C ATOM 2233 CG1 VAL B 64 9.992 -0.543 -3.445 1.00 0.73 C ATOM 2234 CG2 VAL B 64 10.624 0.681 -5.519 1.00 0.67 C ATOM 0 H VAL B 64 12.896 -0.285 -6.207 1.00 0.55 H new ATOM 0 HA VAL B 64 12.518 0.315 -3.476 1.00 0.56 H new ATOM 0 HB VAL B 64 10.767 -1.422 -5.233 1.00 0.57 H new ATOM 0 HG11 VAL B 64 8.958 -0.550 -3.790 1.00 0.73 H new ATOM 0 HG12 VAL B 64 10.183 -1.438 -2.853 1.00 0.73 H new ATOM 0 HG13 VAL B 64 10.164 0.341 -2.832 1.00 0.73 H new ATOM 0 HG21 VAL B 64 9.580 0.649 -5.832 1.00 0.67 H new ATOM 0 HG22 VAL B 64 10.807 1.597 -4.957 1.00 0.67 H new ATOM 0 HG23 VAL B 64 11.267 0.661 -6.399 1.00 0.67 H new ATOM 2244 N ASN B 65 13.009 -2.841 -4.323 1.00 0.55 N ATOM 2245 CA ASN B 65 13.414 -4.139 -3.806 1.00 0.56 C ATOM 2246 C ASN B 65 14.763 -4.040 -3.092 1.00 0.56 C ATOM 2247 O ASN B 65 15.049 -4.814 -2.182 1.00 0.56 O ATOM 2248 CB ASN B 65 13.487 -5.165 -4.940 1.00 0.58 C ATOM 2249 CG ASN B 65 13.757 -6.569 -4.437 1.00 0.77 C ATOM 2250 OD1 ASN B 65 12.904 -7.196 -3.805 1.00 0.86 O ATOM 2251 ND2 ASN B 65 14.945 -7.075 -4.725 1.00 1.46 N ATOM 0 H ASN B 65 12.971 -2.781 -5.341 1.00 0.55 H new ATOM 0 HA ASN B 65 12.667 -4.468 -3.084 1.00 0.56 H new ATOM 0 HB2 ASN B 65 12.549 -5.156 -5.495 1.00 0.58 H new ATOM 0 HB3 ASN B 65 14.273 -4.875 -5.638 1.00 0.58 H new ATOM 0 HD21 ASN B 65 15.184 -8.019 -4.422 1.00 1.46 H new ATOM 0 HD22 ASN B 65 15.621 -6.521 -5.251 1.00 1.46 H new ATOM 2258 N GLN B 66 15.573 -3.057 -3.482 1.00 0.58 N ATOM 2259 CA GLN B 66 16.892 -2.863 -2.885 1.00 0.60 C ATOM 2260 C GLN B 66 16.803 -2.235 -1.496 1.00 0.58 C ATOM 2261 O GLN B 66 17.525 -2.641 -0.582 1.00 0.61 O ATOM 2262 CB GLN B 66 17.776 -2.004 -3.786 1.00 0.65 C ATOM 2263 CG GLN B 66 19.245 -2.388 -3.720 1.00 0.84 C ATOM 2264 CD GLN B 66 20.174 -1.263 -4.125 1.00 1.25 C ATOM 2265 OE1 GLN B 66 20.678 -0.519 -3.283 1.00 2.01 O ATOM 2266 NE2 GLN B 66 20.405 -1.129 -5.419 1.00 1.70 N ATOM 0 H GLN B 66 15.338 -2.382 -4.210 1.00 0.58 H new ATOM 0 HA GLN B 66 17.341 -3.851 -2.780 1.00 0.60 H new ATOM 0 HB2 GLN B 66 17.429 -2.092 -4.816 1.00 0.65 H new ATOM 0 HB3 GLN B 66 17.667 -0.958 -3.501 1.00 0.65 H new ATOM 0 HG2 GLN B 66 19.487 -2.702 -2.705 1.00 0.84 H new ATOM 0 HG3 GLN B 66 19.419 -3.246 -4.369 1.00 0.84 H new ATOM 0 HE21 GLN B 66 19.967 -1.767 -6.084 1.00 1.70 H new ATOM 0 HE22 GLN B 66 21.021 -0.388 -5.753 1.00 1.70 H new ATOM 2275 N LEU B 67 15.920 -1.252 -1.321 1.00 0.55 N ATOM 2276 CA LEU B 67 15.765 -0.620 -0.012 1.00 0.55 C ATOM 2277 C LEU B 67 15.222 -1.632 0.983 1.00 0.50 C ATOM 2278 O LEU B 67 15.741 -1.776 2.094 1.00 0.50 O ATOM 2279 CB LEU B 67 14.844 0.609 -0.055 1.00 0.57 C ATOM 2280 CG LEU B 67 13.751 0.604 -1.116 1.00 0.64 C ATOM 2281 CD1 LEU B 67 12.387 0.416 -0.471 1.00 0.97 C ATOM 2282 CD2 LEU B 67 13.788 1.899 -1.911 1.00 0.67 C ATOM 0 H LEU B 67 15.313 -0.882 -2.053 1.00 0.55 H new ATOM 0 HA LEU B 67 16.751 -0.274 0.299 1.00 0.55 H new ATOM 0 HB2 LEU B 67 14.371 0.715 0.921 1.00 0.57 H new ATOM 0 HB3 LEU B 67 15.463 1.493 -0.207 1.00 0.57 H new ATOM 0 HG LEU B 67 13.928 -0.229 -1.796 1.00 0.64 H new ATOM 0 HD11 LEU B 67 11.617 0.415 -1.242 1.00 0.97 H new ATOM 0 HD12 LEU B 67 12.366 -0.533 0.065 1.00 0.97 H new ATOM 0 HD13 LEU B 67 12.199 1.231 0.228 1.00 0.97 H new ATOM 0 HD21 LEU B 67 13.003 1.885 -2.667 1.00 0.67 H new ATOM 0 HD22 LEU B 67 13.630 2.743 -1.239 1.00 0.67 H new ATOM 0 HD23 LEU B 67 14.758 1.999 -2.398 1.00 0.67 H new ATOM 2294 N VAL B 68 14.246 -2.409 0.529 1.00 0.48 N ATOM 2295 CA VAL B 68 13.688 -3.477 1.336 1.00 0.45 C ATOM 2296 C VAL B 68 14.743 -4.543 1.600 1.00 0.42 C ATOM 2297 O VAL B 68 14.812 -5.095 2.692 1.00 0.40 O ATOM 2298 CB VAL B 68 12.465 -4.121 0.650 1.00 0.46 C ATOM 2299 CG1 VAL B 68 11.899 -5.242 1.506 1.00 0.99 C ATOM 2300 CG2 VAL B 68 11.401 -3.074 0.368 1.00 1.07 C ATOM 0 H VAL B 68 13.827 -2.316 -0.396 1.00 0.48 H new ATOM 0 HA VAL B 68 13.363 -3.042 2.281 1.00 0.45 H new ATOM 0 HB VAL B 68 12.789 -4.547 -0.300 1.00 0.46 H new ATOM 0 HG11 VAL B 68 11.037 -5.683 1.005 1.00 0.99 H new ATOM 0 HG12 VAL B 68 12.662 -6.006 1.656 1.00 0.99 H new ATOM 0 HG13 VAL B 68 11.591 -4.842 2.472 1.00 0.99 H new ATOM 0 HG21 VAL B 68 10.546 -3.546 -0.116 1.00 1.07 H new ATOM 0 HG22 VAL B 68 11.082 -2.618 1.305 1.00 1.07 H new ATOM 0 HG23 VAL B 68 11.811 -2.306 -0.288 1.00 1.07 H new ATOM 2310 N ASP B 69 15.595 -4.782 0.608 1.00 0.47 N ATOM 2311 CA ASP B 69 16.676 -5.757 0.724 1.00 0.49 C ATOM 2312 C ASP B 69 17.554 -5.468 1.931 1.00 0.48 C ATOM 2313 O ASP B 69 17.796 -6.344 2.763 1.00 0.49 O ATOM 2314 CB ASP B 69 17.547 -5.751 -0.534 1.00 0.60 C ATOM 2315 CG ASP B 69 18.616 -6.821 -0.490 1.00 0.84 C ATOM 2316 OD1 ASP B 69 18.306 -7.992 -0.800 1.00 1.46 O ATOM 2317 OD2 ASP B 69 19.776 -6.492 -0.164 1.00 1.09 O ATOM 0 H ASP B 69 15.557 -4.309 -0.295 1.00 0.47 H new ATOM 0 HA ASP B 69 16.214 -6.737 0.846 1.00 0.49 H new ATOM 0 HB2 ASP B 69 16.918 -5.903 -1.411 1.00 0.60 H new ATOM 0 HB3 ASP B 69 18.017 -4.774 -0.645 1.00 0.60 H new ATOM 2322 N ASN B 70 18.052 -4.245 2.001 1.00 0.55 N ATOM 2323 CA ASN B 70 18.953 -3.844 3.075 1.00 0.61 C ATOM 2324 C ASN B 70 18.267 -3.960 4.425 1.00 0.56 C ATOM 2325 O ASN B 70 18.802 -4.565 5.357 1.00 0.60 O ATOM 2326 CB ASN B 70 19.437 -2.413 2.858 1.00 0.74 C ATOM 2327 CG ASN B 70 20.586 -2.344 1.876 1.00 1.37 C ATOM 2328 OD1 ASN B 70 21.746 -2.214 2.269 1.00 1.88 O ATOM 2329 ND2 ASN B 70 20.272 -2.441 0.593 1.00 2.19 N ATOM 0 H ASN B 70 17.848 -3.508 1.326 1.00 0.55 H new ATOM 0 HA ASN B 70 19.813 -4.514 3.063 1.00 0.61 H new ATOM 0 HB2 ASN B 70 18.611 -1.803 2.492 1.00 0.74 H new ATOM 0 HB3 ASN B 70 19.750 -1.988 3.812 1.00 0.74 H new ATOM 0 HD21 ASN B 70 21.005 -2.409 -0.115 1.00 2.19 H new ATOM 0 HD22 ASN B 70 19.297 -2.548 0.313 1.00 2.19 H new ATOM 2336 N TRP B 71 17.057 -3.426 4.504 1.00 0.54 N ATOM 2337 CA TRP B 71 16.261 -3.507 5.720 1.00 0.54 C ATOM 2338 C TRP B 71 16.030 -4.960 6.108 1.00 0.47 C ATOM 2339 O TRP B 71 16.238 -5.350 7.251 1.00 0.53 O ATOM 2340 CB TRP B 71 14.916 -2.813 5.506 1.00 0.57 C ATOM 2341 CG TRP B 71 13.942 -3.003 6.635 1.00 0.64 C ATOM 2342 CD1 TRP B 71 13.857 -2.249 7.769 1.00 0.81 C ATOM 2343 CD2 TRP B 71 12.918 -4.002 6.736 1.00 0.61 C ATOM 2344 NE1 TRP B 71 12.840 -2.709 8.566 1.00 0.86 N ATOM 2345 CE2 TRP B 71 12.246 -3.782 7.957 1.00 0.75 C ATOM 2346 CE3 TRP B 71 12.496 -5.054 5.916 1.00 0.53 C ATOM 2347 CZ2 TRP B 71 11.187 -4.577 8.375 1.00 0.80 C ATOM 2348 CZ3 TRP B 71 11.442 -5.845 6.337 1.00 0.62 C ATOM 2349 CH2 TRP B 71 10.795 -5.599 7.555 1.00 0.74 C ATOM 0 H TRP B 71 16.603 -2.930 3.737 1.00 0.54 H new ATOM 0 HA TRP B 71 16.803 -3.010 6.525 1.00 0.54 H new ATOM 0 HB2 TRP B 71 15.088 -1.746 5.364 1.00 0.57 H new ATOM 0 HB3 TRP B 71 14.468 -3.188 4.586 1.00 0.57 H new ATOM 0 HD1 TRP B 71 14.497 -1.412 8.005 1.00 0.81 H new ATOM 0 HE1 TRP B 71 12.570 -2.315 9.467 1.00 0.86 H new ATOM 0 HE3 TRP B 71 12.984 -5.245 4.972 1.00 0.53 H new ATOM 0 HZ2 TRP B 71 10.690 -4.394 9.316 1.00 0.80 H new ATOM 0 HZ3 TRP B 71 11.113 -6.665 5.717 1.00 0.62 H new ATOM 0 HH2 TRP B 71 9.970 -6.229 7.852 1.00 0.74 H new ATOM 2360 N LEU B 72 15.556 -5.736 5.149 1.00 0.42 N ATOM 2361 CA LEU B 72 15.194 -7.127 5.365 1.00 0.44 C ATOM 2362 C LEU B 72 16.329 -7.930 5.976 1.00 0.55 C ATOM 2363 O LEU B 72 16.113 -8.714 6.896 1.00 0.65 O ATOM 2364 CB LEU B 72 14.791 -7.760 4.039 1.00 0.50 C ATOM 2365 CG LEU B 72 13.627 -8.737 4.119 1.00 0.47 C ATOM 2366 CD1 LEU B 72 12.382 -8.115 3.516 1.00 0.58 C ATOM 2367 CD2 LEU B 72 13.983 -10.040 3.420 1.00 0.60 C ATOM 0 H LEU B 72 15.410 -5.417 4.191 1.00 0.42 H new ATOM 0 HA LEU B 72 14.360 -7.142 6.067 1.00 0.44 H new ATOM 0 HB2 LEU B 72 14.532 -6.966 3.339 1.00 0.50 H new ATOM 0 HB3 LEU B 72 15.655 -8.280 3.625 1.00 0.50 H new ATOM 0 HG LEU B 72 13.422 -8.962 5.166 1.00 0.47 H new ATOM 0 HD11 LEU B 72 11.555 -8.822 3.578 1.00 0.58 H new ATOM 0 HD12 LEU B 72 12.126 -7.208 4.064 1.00 0.58 H new ATOM 0 HD13 LEU B 72 12.569 -7.867 2.471 1.00 0.58 H new ATOM 0 HD21 LEU B 72 13.141 -10.730 3.485 1.00 0.60 H new ATOM 0 HD22 LEU B 72 14.209 -9.841 2.372 1.00 0.60 H new ATOM 0 HD23 LEU B 72 14.854 -10.485 3.901 1.00 0.60 H new ATOM 2379 N LYS B 73 17.504 -7.817 5.387 1.00 0.63 N ATOM 2380 CA LYS B 73 18.621 -8.659 5.784 1.00 0.83 C ATOM 2381 C LYS B 73 19.381 -8.082 6.980 1.00 0.97 C ATOM 2382 O LYS B 73 20.170 -8.781 7.615 1.00 1.13 O ATOM 2383 CB LYS B 73 19.543 -8.878 4.587 1.00 0.96 C ATOM 2384 CG LYS B 73 18.780 -9.203 3.301 1.00 0.92 C ATOM 2385 CD LYS B 73 19.695 -9.394 2.090 1.00 1.16 C ATOM 2386 CE LYS B 73 21.106 -8.868 2.323 1.00 1.41 C ATOM 2387 NZ LYS B 73 21.280 -7.481 1.816 1.00 1.79 N ATOM 0 H LYS B 73 17.711 -7.157 4.638 1.00 0.63 H new ATOM 0 HA LYS B 73 18.227 -9.622 6.110 1.00 0.83 H new ATOM 0 HB2 LYS B 73 20.145 -7.983 4.430 1.00 0.96 H new ATOM 0 HB3 LYS B 73 20.233 -9.692 4.810 1.00 0.96 H new ATOM 0 HG2 LYS B 73 18.195 -10.110 3.453 1.00 0.92 H new ATOM 0 HG3 LYS B 73 18.074 -8.399 3.092 1.00 0.92 H new ATOM 0 HD2 LYS B 73 19.744 -10.454 1.842 1.00 1.16 H new ATOM 0 HD3 LYS B 73 19.261 -8.885 1.229 1.00 1.16 H new ATOM 0 HE2 LYS B 73 21.330 -8.894 3.389 1.00 1.41 H new ATOM 0 HE3 LYS B 73 21.823 -9.525 1.831 1.00 1.41 H new ATOM 0 HZ1 LYS B 73 22.281 -7.319 1.584 1.00 1.79 H new ATOM 0 HZ2 LYS B 73 20.701 -7.348 0.963 1.00 1.79 H new ATOM 0 HZ3 LYS B 73 20.981 -6.804 2.547 1.00 1.79 H new ATOM 2401 N GLU B 74 19.110 -6.824 7.312 1.00 0.99 N ATOM 2402 CA GLU B 74 19.736 -6.196 8.479 1.00 1.22 C ATOM 2403 C GLU B 74 18.831 -6.281 9.708 1.00 1.27 C ATOM 2404 O GLU B 74 19.310 -6.354 10.841 1.00 1.50 O ATOM 2405 CB GLU B 74 20.073 -4.732 8.187 1.00 1.37 C ATOM 2406 CG GLU B 74 21.404 -4.284 8.772 1.00 1.81 C ATOM 2407 CD GLU B 74 21.264 -3.645 10.139 1.00 2.23 C ATOM 2408 OE1 GLU B 74 20.601 -2.592 10.246 1.00 2.51 O ATOM 2409 OE2 GLU B 74 21.829 -4.183 11.115 1.00 2.78 O ATOM 0 H GLU B 74 18.468 -6.221 6.798 1.00 0.99 H new ATOM 0 HA GLU B 74 20.656 -6.740 8.690 1.00 1.22 H new ATOM 0 HB2 GLU B 74 20.091 -4.580 7.108 1.00 1.37 H new ATOM 0 HB3 GLU B 74 19.280 -4.099 8.585 1.00 1.37 H new ATOM 0 HG2 GLU B 74 22.070 -5.144 8.845 1.00 1.81 H new ATOM 0 HG3 GLU B 74 21.873 -3.574 8.091 1.00 1.81 H new ATOM 2416 N ASN B 75 17.528 -6.162 9.490 1.00 1.11 N ATOM 2417 CA ASN B 75 16.570 -6.109 10.591 1.00 1.21 C ATOM 2418 C ASN B 75 16.162 -7.505 11.056 1.00 1.14 C ATOM 2419 O ASN B 75 15.745 -7.687 12.202 1.00 1.29 O ATOM 2420 CB ASN B 75 15.326 -5.303 10.181 1.00 1.28 C ATOM 2421 CG ASN B 75 14.145 -6.184 9.800 1.00 1.61 C ATOM 2422 OD1 ASN B 75 13.285 -6.481 10.626 1.00 1.88 O ATOM 2423 ND2 ASN B 75 14.090 -6.596 8.546 1.00 1.97 N ATOM 0 H ASN B 75 17.109 -6.100 8.562 1.00 1.11 H new ATOM 0 HA ASN B 75 17.061 -5.611 11.427 1.00 1.21 H new ATOM 0 HB2 ASN B 75 15.035 -4.651 11.004 1.00 1.28 H new ATOM 0 HB3 ASN B 75 15.579 -4.659 9.338 1.00 1.28 H new ATOM 0 HD21 ASN B 75 13.315 -7.181 8.235 1.00 1.97 H new ATOM 0 HD22 ASN B 75 14.823 -6.329 7.889 1.00 1.97 H new ATOM 2430 N GLU B 76 16.251 -8.479 10.164 1.00 1.01 N ATOM 2431 CA GLU B 76 15.828 -9.835 10.480 1.00 1.08 C ATOM 2432 C GLU B 76 16.915 -10.832 10.103 1.00 1.38 C ATOM 2433 O GLU B 76 16.947 -11.935 10.687 1.00 1.93 O ATOM 2434 CB GLU B 76 14.534 -10.160 9.738 1.00 1.36 C ATOM 2435 CG GLU B 76 13.331 -10.310 10.654 1.00 1.88 C ATOM 2436 CD GLU B 76 13.257 -11.685 11.284 1.00 2.20 C ATOM 2437 OE1 GLU B 76 13.367 -12.687 10.547 1.00 2.52 O ATOM 2438 OE2 GLU B 76 13.081 -11.769 12.517 1.00 2.67 O ATOM 2439 OXT GLU B 76 17.737 -10.506 9.223 1.00 1.90 O ATOM 0 H GLU B 76 16.611 -8.357 9.218 1.00 1.01 H new ATOM 0 HA GLU B 76 15.651 -9.907 11.553 1.00 1.08 H new ATOM 0 HB2 GLU B 76 14.332 -9.371 9.013 1.00 1.36 H new ATOM 0 HB3 GLU B 76 14.669 -11.084 9.175 1.00 1.36 H new ATOM 0 HG2 GLU B 76 13.378 -9.555 11.439 1.00 1.88 H new ATOM 0 HG3 GLU B 76 12.419 -10.123 10.087 1.00 1.88 H new TER 2446 GLU B 76