USER MOD reduce.3.24.130724 H: found=0, std=0, add=992, rem=0, adj=49 USER MOD reduce.3.24.130724 removed 995 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 118 GLN :FLIP amide:sc= -3.48! C(o=-4.8!,f=-3.4!) USER MOD Set 1.2: A 122 GLN :FLIP amide:sc= 0.0815 F(o=-4.8,f=-3.4) USER MOD Set 2.1: A 83 LYS NZ :NH3+ -151:sc= 1.2 (180deg=-0.247) USER MOD Set 2.2: A 95 THR OG1 : rot -87:sc= 1.47 USER MOD Set 2.3: A 103 THR OG1 : rot 180:sc= 0.381 USER MOD Set 3.1: A 28 THR OG1 : rot 78:sc= 2.43 USER MOD Set 3.2: A 45 THR OG1 : rot 98:sc= 1.26 USER MOD Set 4.1: A 13 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 17 MET CE :methyl -155:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 27:sc= 0.124 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0065) USER MOD Single : A 21 MET CE :methyl -160:sc= -0.144 (180deg=-0.75) USER MOD Single : A 22 GLN :FLIP amide:sc= -2.57! C(o=-3.9!,f=-2.6!) USER MOD Single : A 23 TYR OH : rot 130:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 141:sc= 1.02 (180deg=0.396) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= -0.0499 (180deg=-0.0499) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 155:sc= 1.3 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=-0.0039) USER MOD Single : A 39 SER OG : rot 48:sc= 0.135 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -128:sc= 0.0762 (180deg=-0.331) USER MOD Single : A 46 CYS SG : rot 63:sc= -4.25! USER MOD Single : A 47 SER OG : rot 180:sc=-0.000546 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN :FLIP amide:sc= -0.0313 F(o=-1.3!,f=-0.031) USER MOD Single : A 57 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00264) USER MOD Single : A 59 LYS NZ :NH3+ 166:sc= -0.0232 (180deg=-0.182) USER MOD Single : A 60 SER OG : rot -105:sc= 0.295 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.0461 X(o=-0.046,f=-0.53) USER MOD Single : A 68 LYS NZ :NH3+ 160:sc= -0.0565 (180deg=-0.365) USER MOD Single : A 69 LYS NZ :NH3+ 171:sc= -0.0222 (180deg=-0.138) USER MOD Single : A 71 SER OG : rot 180:sc= -0.469 USER MOD Single : A 78 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0121) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 6:sc= 0.795 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 GLN :FLIP amide:sc= -1.82 F(o=-4.4!,f=-1.8) USER MOD Single : A 88 ASN :FLIP amide:sc= 0.367 F(o=-0.48,f=0.37) USER MOD Single : A 89 THR OG1 : rot 77:sc= 1.16 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 102 THR OG1 : rot 68:sc= 1.05 USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 ASN :FLIP amide:sc= -0.219 F(o=-3.1!,f=-0.22) USER MOD Single : A 107 THR OG1 : rot -104:sc= -2.55! USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0.807 USER MOD Single : A 116 SER OG : rot 77:sc= 1.16 USER MOD Single : A 120 GLN :FLIP amide:sc= -0.494 F(o=-2.8!,f=-0.49) USER MOD Single : A 123 SER OG : rot 84:sc= 1.2 USER MOD Single : A 125 MET CE :methyl 159:sc= -0.146 (180deg=-2.2) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 MET CE :methyl -179:sc= -1.29 (180deg=-1.3) USER MOD Single : A 129 SER OG : rot -47:sc= 1.26 USER MOD Single : A 130 MET CE :methyl -140:sc= 0 (180deg=-1.53!) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 11 24.290 4.097 3.924 1.00 1.07 N ATOM 2 CA SER A 11 24.377 4.022 2.458 1.00 1.09 C ATOM 3 C SER A 11 22.979 4.022 1.848 1.00 0.93 C ATOM 4 O SER A 11 22.088 3.337 2.345 1.00 0.81 O ATOM 5 CB SER A 11 25.143 2.762 2.070 1.00 1.17 C ATOM 6 OG SER A 11 26.421 2.734 2.686 1.00 1.81 O ATOM 0 HA SER A 11 24.908 4.893 2.073 1.00 1.09 H new ATOM 0 HB2 SER A 11 24.574 1.881 2.365 1.00 1.17 H new ATOM 0 HB3 SER A 11 25.256 2.720 0.987 1.00 1.17 H new ATOM 0 HG SER A 11 26.394 3.248 3.520 1.00 1.81 H new ATOM 14 N ALA A 12 22.806 4.782 0.765 1.00 0.96 N ATOM 15 CA ALA A 12 21.483 5.096 0.215 1.00 0.88 C ATOM 16 C ALA A 12 20.601 3.866 -0.007 1.00 0.77 C ATOM 17 O ALA A 12 19.435 3.855 0.392 1.00 0.67 O ATOM 18 CB ALA A 12 21.634 5.872 -1.081 1.00 0.97 C ATOM 0 H ALA A 12 23.578 5.198 0.244 1.00 0.96 H new ATOM 0 HA ALA A 12 20.974 5.704 0.963 1.00 0.88 H new ATOM 0 HB1 ALA A 12 20.648 6.102 -1.484 1.00 0.97 H new ATOM 0 HB2 ALA A 12 22.173 6.800 -0.889 1.00 0.97 H new ATOM 0 HB3 ALA A 12 22.190 5.272 -1.802 1.00 0.97 H new ATOM 24 N SER A 13 21.144 2.835 -0.639 1.00 0.87 N ATOM 25 CA SER A 13 20.359 1.648 -0.954 1.00 0.84 C ATOM 26 C SER A 13 20.212 0.754 0.275 1.00 0.73 C ATOM 27 O SER A 13 19.137 0.210 0.535 1.00 0.63 O ATOM 28 CB SER A 13 21.003 0.874 -2.109 1.00 1.03 C ATOM 29 OG SER A 13 20.213 -0.241 -2.487 1.00 1.64 O ATOM 0 H SER A 13 22.117 2.795 -0.942 1.00 0.87 H new ATOM 0 HA SER A 13 19.363 1.967 -1.262 1.00 0.84 H new ATOM 0 HB2 SER A 13 21.134 1.536 -2.965 1.00 1.03 H new ATOM 0 HB3 SER A 13 21.996 0.535 -1.813 1.00 1.03 H new ATOM 0 HG SER A 13 20.648 -0.714 -3.227 1.00 1.64 H new ATOM 35 N ASP A 14 21.290 0.628 1.042 1.00 0.79 N ATOM 36 CA ASP A 14 21.296 -0.217 2.236 1.00 0.78 C ATOM 37 C ASP A 14 20.308 0.296 3.273 1.00 0.63 C ATOM 38 O ASP A 14 19.505 -0.473 3.809 1.00 0.59 O ATOM 39 CB ASP A 14 22.697 -0.285 2.847 1.00 0.93 C ATOM 40 CG ASP A 14 23.643 -1.157 2.052 1.00 1.74 C ATOM 41 OD1 ASP A 14 23.982 -2.265 2.521 1.00 1.88 O ATOM 42 OD2 ASP A 14 24.049 -0.742 0.946 1.00 2.69 O ATOM 0 H ASP A 14 22.175 1.101 0.859 1.00 0.79 H new ATOM 0 HA ASP A 14 20.994 -1.219 1.931 1.00 0.78 H new ATOM 0 HB2 ASP A 14 23.108 0.722 2.914 1.00 0.93 H new ATOM 0 HB3 ASP A 14 22.626 -0.668 3.865 1.00 0.93 H new ATOM 47 N ILE A 15 20.357 1.599 3.543 1.00 0.59 N ATOM 48 CA ILE A 15 19.438 2.213 4.490 1.00 0.50 C ATOM 49 C ILE A 15 18.002 2.028 4.018 1.00 0.39 C ATOM 50 O ILE A 15 17.102 1.789 4.817 1.00 0.35 O ATOM 51 CB ILE A 15 19.721 3.723 4.706 1.00 0.52 C ATOM 52 CG1 ILE A 15 18.902 4.239 5.879 1.00 0.50 C ATOM 53 CG2 ILE A 15 19.405 4.542 3.468 1.00 0.53 C ATOM 54 CD1 ILE A 15 19.550 3.991 7.217 1.00 0.58 C ATOM 0 H ILE A 15 21.022 2.246 3.119 1.00 0.59 H new ATOM 0 HA ILE A 15 19.588 1.712 5.446 1.00 0.50 H new ATOM 0 HB ILE A 15 20.785 3.831 4.916 1.00 0.52 H new ATOM 0 HG12 ILE A 15 18.739 5.310 5.756 1.00 0.50 H new ATOM 0 HG13 ILE A 15 17.921 3.763 5.865 1.00 0.50 H new ATOM 0 HG21 ILE A 15 19.617 5.593 3.663 1.00 0.53 H new ATOM 0 HG22 ILE A 15 20.019 4.196 2.636 1.00 0.53 H new ATOM 0 HG23 ILE A 15 18.351 4.426 3.214 1.00 0.53 H new ATOM 0 HD11 ILE A 15 18.912 4.384 8.009 1.00 0.58 H new ATOM 0 HD12 ILE A 15 19.688 2.919 7.361 1.00 0.58 H new ATOM 0 HD13 ILE A 15 20.519 4.490 7.250 1.00 0.58 H new ATOM 66 N ARG A 16 17.803 2.121 2.707 1.00 0.40 N ATOM 67 CA ARG A 16 16.488 1.988 2.118 1.00 0.34 C ATOM 68 C ARG A 16 15.917 0.613 2.386 1.00 0.29 C ATOM 69 O ARG A 16 14.776 0.491 2.799 1.00 0.24 O ATOM 70 CB ARG A 16 16.569 2.235 0.612 1.00 0.41 C ATOM 71 CG ARG A 16 15.311 1.864 -0.154 1.00 0.40 C ATOM 72 CD ARG A 16 15.563 1.884 -1.647 1.00 0.51 C ATOM 73 NE ARG A 16 15.903 3.218 -2.134 1.00 1.04 N ATOM 74 CZ ARG A 16 15.763 3.608 -3.399 1.00 1.14 C ATOM 75 NH1 ARG A 16 15.260 2.778 -4.305 1.00 0.97 N ATOM 76 NH2 ARG A 16 16.125 4.831 -3.755 1.00 1.88 N ATOM 0 H ARG A 16 18.549 2.290 2.032 1.00 0.40 H new ATOM 0 HA ARG A 16 15.828 2.728 2.571 1.00 0.34 H new ATOM 0 HB2 ARG A 16 16.786 3.289 0.440 1.00 0.41 H new ATOM 0 HB3 ARG A 16 17.407 1.667 0.208 1.00 0.41 H new ATOM 0 HG2 ARG A 16 14.975 0.872 0.149 1.00 0.40 H new ATOM 0 HG3 ARG A 16 14.511 2.561 0.093 1.00 0.40 H new ATOM 0 HD2 ARG A 16 16.373 1.195 -1.886 1.00 0.51 H new ATOM 0 HD3 ARG A 16 14.675 1.525 -2.168 1.00 0.51 H new ATOM 0 HE ARG A 16 16.271 3.893 -1.463 1.00 1.04 H new ATOM 0 HH11 ARG A 16 14.979 1.836 -4.033 1.00 0.97 H new ATOM 0 HH12 ARG A 16 15.155 3.082 -5.273 1.00 0.97 H new ATOM 0 HH21 ARG A 16 16.510 5.471 -3.061 1.00 1.88 H new ATOM 0 HH22 ARG A 16 16.019 5.133 -4.724 1.00 1.88 H new ATOM 90 N MET A 17 16.722 -0.415 2.169 1.00 0.34 N ATOM 91 CA MET A 17 16.263 -1.786 2.336 1.00 0.35 C ATOM 92 C MET A 17 15.726 -2.016 3.743 1.00 0.31 C ATOM 93 O MET A 17 14.717 -2.696 3.925 1.00 0.31 O ATOM 94 CB MET A 17 17.390 -2.775 2.037 1.00 0.43 C ATOM 95 CG MET A 17 17.862 -2.750 0.592 1.00 0.50 C ATOM 96 SD MET A 17 19.295 -3.808 0.316 1.00 0.63 S ATOM 97 CE MET A 17 19.572 -3.538 -1.432 1.00 1.78 C ATOM 0 H MET A 17 17.695 -0.327 1.877 1.00 0.34 H new ATOM 0 HA MET A 17 15.453 -1.953 1.626 1.00 0.35 H new ATOM 0 HB2 MET A 17 18.235 -2.556 2.689 1.00 0.43 H new ATOM 0 HB3 MET A 17 17.051 -3.782 2.281 1.00 0.43 H new ATOM 0 HG2 MET A 17 17.048 -3.070 -0.058 1.00 0.50 H new ATOM 0 HG3 MET A 17 18.111 -1.726 0.312 1.00 0.50 H new ATOM 0 HE1 MET A 17 20.091 -4.398 -1.855 1.00 1.78 H new ATOM 0 HE2 MET A 17 18.614 -3.408 -1.936 1.00 1.78 H new ATOM 0 HE3 MET A 17 20.179 -2.644 -1.570 1.00 1.78 H new ATOM 107 N LYS A 18 16.394 -1.456 4.741 1.00 0.31 N ATOM 108 CA LYS A 18 15.906 -1.563 6.105 1.00 0.32 C ATOM 109 C LYS A 18 14.728 -0.615 6.325 1.00 0.28 C ATOM 110 O LYS A 18 13.769 -0.947 7.017 1.00 0.31 O ATOM 111 CB LYS A 18 17.013 -1.278 7.127 1.00 0.39 C ATOM 112 CG LYS A 18 17.183 0.191 7.493 1.00 0.48 C ATOM 113 CD LYS A 18 17.777 0.326 8.880 1.00 0.64 C ATOM 114 CE LYS A 18 17.923 1.776 9.296 1.00 1.12 C ATOM 115 NZ LYS A 18 18.670 1.916 10.573 1.00 1.61 N ATOM 0 H LYS A 18 17.262 -0.931 4.634 1.00 0.31 H new ATOM 0 HA LYS A 18 15.571 -2.589 6.255 1.00 0.32 H new ATOM 0 HB2 LYS A 18 16.803 -1.842 8.036 1.00 0.39 H new ATOM 0 HB3 LYS A 18 17.958 -1.651 6.731 1.00 0.39 H new ATOM 0 HG2 LYS A 18 17.829 0.681 6.765 1.00 0.48 H new ATOM 0 HG3 LYS A 18 16.218 0.696 7.453 1.00 0.48 H new ATOM 0 HD2 LYS A 18 17.144 -0.195 9.598 1.00 0.64 H new ATOM 0 HD3 LYS A 18 18.753 -0.159 8.905 1.00 0.64 H new ATOM 0 HE2 LYS A 18 18.440 2.328 8.511 1.00 1.12 H new ATOM 0 HE3 LYS A 18 16.935 2.224 9.403 1.00 1.12 H new ATOM 0 HZ1 LYS A 18 18.747 2.923 10.821 1.00 1.61 H new ATOM 0 HZ2 LYS A 18 18.164 1.411 11.328 1.00 1.61 H new ATOM 0 HZ3 LYS A 18 19.622 1.512 10.464 1.00 1.61 H new ATOM 129 N LYS A 19 14.803 0.562 5.715 1.00 0.25 N ATOM 130 CA LYS A 19 13.828 1.612 5.957 1.00 0.24 C ATOM 131 C LYS A 19 12.488 1.259 5.322 1.00 0.19 C ATOM 132 O LYS A 19 11.430 1.542 5.881 1.00 0.22 O ATOM 133 CB LYS A 19 14.339 2.949 5.414 1.00 0.27 C ATOM 134 CG LYS A 19 14.147 4.115 6.374 1.00 0.33 C ATOM 135 CD LYS A 19 12.677 4.378 6.648 1.00 0.38 C ATOM 136 CE LYS A 19 12.485 5.386 7.770 1.00 0.47 C ATOM 137 NZ LYS A 19 13.047 6.719 7.429 1.00 0.99 N ATOM 0 H LYS A 19 15.533 0.811 5.047 1.00 0.25 H new ATOM 0 HA LYS A 19 13.684 1.705 7.033 1.00 0.24 H new ATOM 0 HB2 LYS A 19 15.399 2.854 5.180 1.00 0.27 H new ATOM 0 HB3 LYS A 19 13.825 3.171 4.479 1.00 0.27 H new ATOM 0 HG2 LYS A 19 14.660 3.903 7.312 1.00 0.33 H new ATOM 0 HG3 LYS A 19 14.606 5.011 5.955 1.00 0.33 H new ATOM 0 HD2 LYS A 19 12.198 4.748 5.741 1.00 0.38 H new ATOM 0 HD3 LYS A 19 12.183 3.443 6.911 1.00 0.38 H new ATOM 0 HE2 LYS A 19 11.422 5.487 7.988 1.00 0.47 H new ATOM 0 HE3 LYS A 19 12.962 5.013 8.676 1.00 0.47 H new ATOM 0 HZ1 LYS A 19 12.864 7.383 8.208 1.00 0.99 H new ATOM 0 HZ2 LYS A 19 14.073 6.635 7.280 1.00 0.99 H new ATOM 0 HZ3 LYS A 19 12.598 7.073 6.560 1.00 0.99 H new ATOM 151 N VAL A 20 12.539 0.635 4.156 1.00 0.16 N ATOM 152 CA VAL A 20 11.334 0.196 3.476 1.00 0.15 C ATOM 153 C VAL A 20 10.645 -0.894 4.280 1.00 0.17 C ATOM 154 O VAL A 20 9.432 -1.016 4.240 1.00 0.19 O ATOM 155 CB VAL A 20 11.603 -0.299 2.040 1.00 0.17 C ATOM 156 CG1 VAL A 20 12.214 0.805 1.196 1.00 0.18 C ATOM 157 CG2 VAL A 20 12.504 -1.518 2.041 1.00 0.21 C ATOM 0 H VAL A 20 13.405 0.421 3.661 1.00 0.16 H new ATOM 0 HA VAL A 20 10.682 1.066 3.397 1.00 0.15 H new ATOM 0 HB VAL A 20 10.646 -0.583 1.603 1.00 0.17 H new ATOM 0 HG11 VAL A 20 12.395 0.434 0.187 1.00 0.18 H new ATOM 0 HG12 VAL A 20 11.529 1.652 1.153 1.00 0.18 H new ATOM 0 HG13 VAL A 20 13.157 1.123 1.640 1.00 0.18 H new ATOM 0 HG21 VAL A 20 12.676 -1.844 1.015 1.00 0.21 H new ATOM 0 HG22 VAL A 20 13.457 -1.266 2.506 1.00 0.21 H new ATOM 0 HG23 VAL A 20 12.028 -2.322 2.602 1.00 0.21 H new ATOM 167 N MET A 21 11.430 -1.693 5.000 1.00 0.19 N ATOM 168 CA MET A 21 10.878 -2.711 5.892 1.00 0.25 C ATOM 169 C MET A 21 10.127 -2.058 7.047 1.00 0.25 C ATOM 170 O MET A 21 9.142 -2.602 7.549 1.00 0.27 O ATOM 171 CB MET A 21 11.983 -3.622 6.428 1.00 0.38 C ATOM 172 CG MET A 21 12.502 -4.618 5.404 1.00 1.02 C ATOM 173 SD MET A 21 11.243 -5.798 4.868 1.00 2.01 S ATOM 174 CE MET A 21 10.853 -6.601 6.420 1.00 2.72 C ATOM 0 H MET A 21 12.449 -1.655 4.983 1.00 0.19 H new ATOM 0 HA MET A 21 10.179 -3.320 5.319 1.00 0.25 H new ATOM 0 HB2 MET A 21 12.812 -3.007 6.776 1.00 0.38 H new ATOM 0 HB3 MET A 21 11.605 -4.167 7.293 1.00 0.38 H new ATOM 0 HG2 MET A 21 12.878 -4.076 4.536 1.00 1.02 H new ATOM 0 HG3 MET A 21 13.345 -5.162 5.829 1.00 1.02 H new ATOM 0 HE1 MET A 21 10.379 -7.563 6.223 1.00 2.72 H new ATOM 0 HE2 MET A 21 11.769 -6.758 6.989 1.00 2.72 H new ATOM 0 HE3 MET A 21 10.173 -5.972 6.994 1.00 2.72 H new ATOM 184 N GLN A 22 10.591 -0.881 7.454 1.00 0.26 N ATOM 185 CA GLN A 22 9.903 -0.099 8.472 1.00 0.29 C ATOM 186 C GLN A 22 8.564 0.374 7.918 1.00 0.26 C ATOM 187 O GLN A 22 7.525 0.247 8.566 1.00 0.31 O ATOM 188 CB GLN A 22 10.748 1.108 8.890 1.00 0.33 C ATOM 189 CG GLN A 22 12.210 0.775 9.138 1.00 0.40 C ATOM 190 CD GLN A 22 13.031 1.992 9.515 1.00 0.60 C ATOM 191 OE1 GLN A 22 14.268 2.047 9.040 1.00 1.05 O flip ATOM 192 NE2 GLN A 22 12.542 2.903 10.181 1.00 0.52 N flip ATOM 0 H GLN A 22 11.441 -0.448 7.093 1.00 0.26 H new ATOM 0 HA GLN A 22 9.741 -0.724 9.350 1.00 0.29 H new ATOM 0 HB2 GLN A 22 10.685 1.871 8.114 1.00 0.33 H new ATOM 0 HB3 GLN A 22 10.324 1.540 9.796 1.00 0.33 H new ATOM 0 HG2 GLN A 22 12.280 0.034 9.934 1.00 0.40 H new ATOM 0 HG3 GLN A 22 12.632 0.320 8.242 1.00 0.40 H new ATOM 0 HE21 GLN A 22 11.587 2.824 10.529 1.00 0.52 H new ATOM 0 HE22 GLN A 22 13.092 3.737 10.385 1.00 0.52 H new ATOM 201 N TYR A 23 8.604 0.906 6.699 1.00 0.20 N ATOM 202 CA TYR A 23 7.393 1.303 5.992 1.00 0.19 C ATOM 203 C TYR A 23 6.514 0.090 5.712 1.00 0.17 C ATOM 204 O TYR A 23 5.292 0.184 5.716 1.00 0.18 O ATOM 205 CB TYR A 23 7.734 1.983 4.665 1.00 0.17 C ATOM 206 CG TYR A 23 8.222 3.409 4.786 1.00 0.21 C ATOM 207 CD1 TYR A 23 9.551 3.722 4.546 1.00 0.24 C ATOM 208 CD2 TYR A 23 7.368 4.434 5.174 1.00 0.26 C ATOM 209 CE1 TYR A 23 10.017 5.013 4.685 1.00 0.29 C ATOM 210 CE2 TYR A 23 7.827 5.731 5.312 1.00 0.31 C ATOM 211 CZ TYR A 23 9.086 6.046 4.950 1.00 0.32 C ATOM 212 OH TYR A 23 9.619 7.301 5.207 1.00 0.38 O ATOM 0 H TYR A 23 9.466 1.072 6.180 1.00 0.20 H new ATOM 0 HA TYR A 23 6.856 2.005 6.629 1.00 0.19 H new ATOM 0 HB2 TYR A 23 8.499 1.395 4.158 1.00 0.17 H new ATOM 0 HB3 TYR A 23 6.849 1.970 4.029 1.00 0.17 H new ATOM 0 HD1 TYR A 23 10.234 2.941 4.245 1.00 0.24 H new ATOM 0 HD2 TYR A 23 6.329 4.214 5.371 1.00 0.26 H new ATOM 0 HE1 TYR A 23 11.071 5.231 4.594 1.00 0.29 H new ATOM 0 HE2 TYR A 23 7.175 6.494 5.711 1.00 0.31 H new ATOM 0 HH TYR A 23 9.171 7.968 4.646 1.00 0.38 H new ATOM 222 N ARG A 24 7.158 -1.042 5.471 1.00 0.17 N ATOM 223 CA ARG A 24 6.474 -2.272 5.105 1.00 0.17 C ATOM 224 C ARG A 24 5.525 -2.712 6.206 1.00 0.17 C ATOM 225 O ARG A 24 4.408 -3.137 5.933 1.00 0.19 O ATOM 226 CB ARG A 24 7.495 -3.374 4.812 1.00 0.18 C ATOM 227 CG ARG A 24 6.920 -4.555 4.054 1.00 0.21 C ATOM 228 CD ARG A 24 8.008 -5.527 3.634 1.00 0.25 C ATOM 229 NE ARG A 24 7.479 -6.601 2.803 1.00 0.33 N ATOM 230 CZ ARG A 24 7.937 -7.848 2.807 1.00 0.47 C ATOM 231 NH1 ARG A 24 8.950 -8.189 3.598 1.00 0.57 N ATOM 232 NH2 ARG A 24 7.384 -8.755 2.013 1.00 0.57 N ATOM 0 H ARG A 24 8.173 -1.133 5.524 1.00 0.17 H new ATOM 0 HA ARG A 24 5.887 -2.084 4.206 1.00 0.17 H new ATOM 0 HB2 ARG A 24 8.318 -2.950 4.236 1.00 0.18 H new ATOM 0 HB3 ARG A 24 7.914 -3.728 5.754 1.00 0.18 H new ATOM 0 HG2 ARG A 24 6.191 -5.071 4.679 1.00 0.21 H new ATOM 0 HG3 ARG A 24 6.388 -4.199 3.172 1.00 0.21 H new ATOM 0 HD2 ARG A 24 8.783 -4.991 3.086 1.00 0.25 H new ATOM 0 HD3 ARG A 24 8.479 -5.951 4.521 1.00 0.25 H new ATOM 0 HE ARG A 24 6.705 -6.380 2.176 1.00 0.33 H new ATOM 0 HH11 ARG A 24 9.380 -7.492 4.206 1.00 0.57 H new ATOM 0 HH12 ARG A 24 9.297 -9.148 3.597 1.00 0.57 H new ATOM 0 HH21 ARG A 24 6.610 -8.494 1.402 1.00 0.57 H new ATOM 0 HH22 ARG A 24 7.733 -9.714 2.013 1.00 0.57 H new ATOM 246 N ARG A 25 5.965 -2.591 7.451 1.00 0.18 N ATOM 247 CA ARG A 25 5.126 -2.946 8.589 1.00 0.18 C ATOM 248 C ARG A 25 3.971 -1.965 8.719 1.00 0.17 C ATOM 249 O ARG A 25 2.876 -2.329 9.145 1.00 0.20 O ATOM 250 CB ARG A 25 5.940 -2.970 9.879 1.00 0.22 C ATOM 251 CG ARG A 25 7.093 -3.955 9.837 1.00 0.32 C ATOM 252 CD ARG A 25 7.667 -4.200 11.217 1.00 0.73 C ATOM 253 NE ARG A 25 8.811 -5.109 11.176 1.00 1.44 N ATOM 254 CZ ARG A 25 8.950 -6.180 11.956 1.00 2.11 C ATOM 255 NH1 ARG A 25 8.010 -6.503 12.838 1.00 2.44 N ATOM 256 NH2 ARG A 25 10.036 -6.933 11.852 1.00 2.87 N ATOM 0 H ARG A 25 6.894 -2.251 7.699 1.00 0.18 H new ATOM 0 HA ARG A 25 4.726 -3.945 8.417 1.00 0.18 H new ATOM 0 HB2 ARG A 25 6.330 -1.971 10.074 1.00 0.22 H new ATOM 0 HB3 ARG A 25 5.283 -3.224 10.711 1.00 0.22 H new ATOM 0 HG2 ARG A 25 6.751 -4.899 9.412 1.00 0.32 H new ATOM 0 HG3 ARG A 25 7.874 -3.574 9.180 1.00 0.32 H new ATOM 0 HD2 ARG A 25 7.973 -3.251 11.657 1.00 0.73 H new ATOM 0 HD3 ARG A 25 6.895 -4.617 11.863 1.00 0.73 H new ATOM 0 HE ARG A 25 9.553 -4.910 10.505 1.00 1.44 H new ATOM 0 HH11 ARG A 25 7.171 -5.929 12.923 1.00 2.44 H new ATOM 0 HH12 ARG A 25 8.127 -7.325 13.430 1.00 2.44 H new ATOM 0 HH21 ARG A 25 10.761 -6.692 11.177 1.00 2.87 H new ATOM 0 HH22 ARG A 25 10.146 -7.754 12.447 1.00 2.87 H new ATOM 270 N ALA A 26 4.221 -0.724 8.330 1.00 0.17 N ATOM 271 CA ALA A 26 3.208 0.318 8.386 1.00 0.19 C ATOM 272 C ALA A 26 2.234 0.193 7.220 1.00 0.19 C ATOM 273 O ALA A 26 1.101 0.664 7.288 1.00 0.28 O ATOM 274 CB ALA A 26 3.867 1.685 8.380 1.00 0.23 C ATOM 0 H ALA A 26 5.123 -0.413 7.970 1.00 0.17 H new ATOM 0 HA ALA A 26 2.644 0.201 9.311 1.00 0.19 H new ATOM 0 HB1 ALA A 26 3.100 2.459 8.422 1.00 0.23 H new ATOM 0 HB2 ALA A 26 4.523 1.777 9.246 1.00 0.23 H new ATOM 0 HB3 ALA A 26 4.452 1.803 7.468 1.00 0.23 H new ATOM 280 N LEU A 27 2.689 -0.432 6.147 1.00 0.15 N ATOM 281 CA LEU A 27 1.853 -0.668 4.983 1.00 0.15 C ATOM 282 C LEU A 27 1.164 -2.020 5.087 1.00 0.17 C ATOM 283 O LEU A 27 0.170 -2.273 4.414 1.00 0.21 O ATOM 284 CB LEU A 27 2.690 -0.576 3.704 1.00 0.15 C ATOM 285 CG LEU A 27 2.728 0.804 3.024 1.00 0.15 C ATOM 286 CD1 LEU A 27 2.724 1.936 4.040 1.00 0.15 C ATOM 287 CD2 LEU A 27 3.956 0.913 2.135 1.00 0.16 C ATOM 0 H LEU A 27 3.641 -0.788 6.058 1.00 0.15 H new ATOM 0 HA LEU A 27 1.081 0.101 4.943 1.00 0.15 H new ATOM 0 HB2 LEU A 27 3.712 -0.872 3.940 1.00 0.15 H new ATOM 0 HB3 LEU A 27 2.305 -1.302 2.988 1.00 0.15 H new ATOM 0 HG LEU A 27 1.827 0.897 2.418 1.00 0.15 H new ATOM 0 HD11 LEU A 27 2.751 2.893 3.519 1.00 0.15 H new ATOM 0 HD12 LEU A 27 1.819 1.878 4.645 1.00 0.15 H new ATOM 0 HD13 LEU A 27 3.598 1.849 4.685 1.00 0.15 H new ATOM 0 HD21 LEU A 27 3.974 1.893 1.658 1.00 0.16 H new ATOM 0 HD22 LEU A 27 4.855 0.787 2.739 1.00 0.16 H new ATOM 0 HD23 LEU A 27 3.921 0.138 1.370 1.00 0.16 H new ATOM 299 N THR A 28 1.688 -2.887 5.938 1.00 0.17 N ATOM 300 CA THR A 28 1.036 -4.154 6.208 1.00 0.15 C ATOM 301 C THR A 28 -0.160 -3.918 7.116 1.00 0.17 C ATOM 302 O THR A 28 -0.005 -3.658 8.310 1.00 0.19 O ATOM 303 CB THR A 28 1.996 -5.165 6.866 1.00 0.17 C ATOM 304 OG1 THR A 28 3.130 -5.384 6.018 1.00 0.20 O ATOM 305 CG2 THR A 28 1.297 -6.490 7.129 1.00 0.20 C ATOM 0 H THR A 28 2.557 -2.737 6.450 1.00 0.17 H new ATOM 0 HA THR A 28 0.712 -4.577 5.257 1.00 0.15 H new ATOM 0 HB THR A 28 2.324 -4.750 7.819 1.00 0.17 H new ATOM 0 HG1 THR A 28 3.750 -4.629 6.100 1.00 0.20 H new ATOM 0 HG21 THR A 28 1.997 -7.185 7.593 1.00 0.20 H new ATOM 0 HG22 THR A 28 0.450 -6.328 7.796 1.00 0.20 H new ATOM 0 HG23 THR A 28 0.943 -6.908 6.187 1.00 0.20 H new ATOM 313 N LYS A 29 -1.348 -4.003 6.546 1.00 0.17 N ATOM 314 CA LYS A 29 -2.562 -3.711 7.281 1.00 0.22 C ATOM 315 C LYS A 29 -3.722 -4.494 6.704 1.00 0.19 C ATOM 316 O LYS A 29 -3.609 -5.091 5.636 1.00 0.18 O ATOM 317 CB LYS A 29 -2.883 -2.217 7.209 1.00 0.31 C ATOM 318 CG LYS A 29 -3.228 -1.599 8.554 1.00 0.61 C ATOM 319 CD LYS A 29 -1.983 -1.330 9.389 1.00 0.72 C ATOM 320 CE LYS A 29 -1.230 -0.105 8.894 1.00 0.44 C ATOM 321 NZ LYS A 29 -2.067 1.122 8.921 1.00 0.79 N ATOM 0 H LYS A 29 -1.497 -4.273 5.574 1.00 0.17 H new ATOM 0 HA LYS A 29 -2.408 -3.998 8.321 1.00 0.22 H new ATOM 0 HB2 LYS A 29 -2.027 -1.691 6.787 1.00 0.31 H new ATOM 0 HB3 LYS A 29 -3.719 -2.067 6.525 1.00 0.31 H new ATOM 0 HG2 LYS A 29 -3.769 -0.666 8.397 1.00 0.61 H new ATOM 0 HG3 LYS A 29 -3.895 -2.266 9.100 1.00 0.61 H new ATOM 0 HD2 LYS A 29 -2.268 -1.186 10.431 1.00 0.72 H new ATOM 0 HD3 LYS A 29 -1.327 -2.200 9.355 1.00 0.72 H new ATOM 0 HE2 LYS A 29 -0.345 0.048 9.511 1.00 0.44 H new ATOM 0 HE3 LYS A 29 -0.882 -0.282 7.876 1.00 0.44 H new ATOM 0 HZ1 LYS A 29 -1.489 1.930 9.229 1.00 0.79 H new ATOM 0 HZ2 LYS A 29 -2.442 1.308 7.969 1.00 0.79 H new ATOM 0 HZ3 LYS A 29 -2.857 0.989 9.584 1.00 0.79 H new ATOM 335 N VAL A 30 -4.831 -4.477 7.410 1.00 0.22 N ATOM 336 CA VAL A 30 -6.063 -5.050 6.906 1.00 0.22 C ATOM 337 C VAL A 30 -7.014 -3.922 6.534 1.00 0.19 C ATOM 338 O VAL A 30 -7.274 -3.030 7.340 1.00 0.23 O ATOM 339 CB VAL A 30 -6.721 -6.009 7.926 1.00 0.30 C ATOM 340 CG1 VAL A 30 -5.897 -7.281 8.059 1.00 0.81 C ATOM 341 CG2 VAL A 30 -6.885 -5.342 9.286 1.00 1.03 C ATOM 0 H VAL A 30 -4.906 -4.070 8.342 1.00 0.22 H new ATOM 0 HA VAL A 30 -5.831 -5.648 6.024 1.00 0.22 H new ATOM 0 HB VAL A 30 -7.714 -6.265 7.556 1.00 0.30 H new ATOM 0 HG11 VAL A 30 -6.371 -7.948 8.780 1.00 0.81 H new ATOM 0 HG12 VAL A 30 -5.836 -7.778 7.091 1.00 0.81 H new ATOM 0 HG13 VAL A 30 -4.893 -7.030 8.402 1.00 0.81 H new ATOM 0 HG21 VAL A 30 -7.350 -6.041 9.981 1.00 1.03 H new ATOM 0 HG22 VAL A 30 -5.907 -5.048 9.667 1.00 1.03 H new ATOM 0 HG23 VAL A 30 -7.515 -4.459 9.184 1.00 1.03 H new ATOM 351 N VAL A 31 -7.494 -3.938 5.304 1.00 0.16 N ATOM 352 CA VAL A 31 -8.286 -2.838 4.783 1.00 0.15 C ATOM 353 C VAL A 31 -9.266 -3.334 3.725 1.00 0.15 C ATOM 354 O VAL A 31 -8.996 -4.301 3.024 1.00 0.18 O ATOM 355 CB VAL A 31 -7.354 -1.741 4.200 1.00 0.18 C ATOM 356 CG1 VAL A 31 -7.772 -1.317 2.800 1.00 0.18 C ATOM 357 CG2 VAL A 31 -7.307 -0.535 5.126 1.00 0.26 C ATOM 0 H VAL A 31 -7.349 -4.703 4.645 1.00 0.16 H new ATOM 0 HA VAL A 31 -8.864 -2.405 5.600 1.00 0.15 H new ATOM 0 HB VAL A 31 -6.356 -2.173 4.124 1.00 0.18 H new ATOM 0 HG11 VAL A 31 -7.091 -0.549 2.434 1.00 0.18 H new ATOM 0 HG12 VAL A 31 -7.738 -2.179 2.134 1.00 0.18 H new ATOM 0 HG13 VAL A 31 -8.786 -0.919 2.828 1.00 0.18 H new ATOM 0 HG21 VAL A 31 -6.649 0.224 4.702 1.00 0.26 H new ATOM 0 HG22 VAL A 31 -8.310 -0.124 5.239 1.00 0.26 H new ATOM 0 HG23 VAL A 31 -6.928 -0.840 6.101 1.00 0.26 H new ATOM 367 N LYS A 32 -10.402 -2.674 3.617 1.00 0.14 N ATOM 368 CA LYS A 32 -11.409 -3.051 2.648 1.00 0.13 C ATOM 369 C LYS A 32 -11.321 -2.155 1.421 1.00 0.12 C ATOM 370 O LYS A 32 -11.494 -0.938 1.510 1.00 0.14 O ATOM 371 CB LYS A 32 -12.794 -2.974 3.288 1.00 0.14 C ATOM 372 CG LYS A 32 -13.857 -3.748 2.530 1.00 0.15 C ATOM 373 CD LYS A 32 -14.826 -2.817 1.829 1.00 0.26 C ATOM 374 CE LYS A 32 -15.970 -3.590 1.190 1.00 0.28 C ATOM 375 NZ LYS A 32 -17.094 -2.703 0.783 1.00 0.67 N ATOM 0 H LYS A 32 -10.651 -1.869 4.193 1.00 0.14 H new ATOM 0 HA LYS A 32 -11.234 -4.078 2.326 1.00 0.13 H new ATOM 0 HB2 LYS A 32 -12.736 -3.356 4.307 1.00 0.14 H new ATOM 0 HB3 LYS A 32 -13.096 -1.929 3.356 1.00 0.14 H new ATOM 0 HG2 LYS A 32 -13.381 -4.399 1.797 1.00 0.15 H new ATOM 0 HG3 LYS A 32 -14.403 -4.391 3.221 1.00 0.15 H new ATOM 0 HD2 LYS A 32 -15.225 -2.098 2.544 1.00 0.26 H new ATOM 0 HD3 LYS A 32 -14.298 -2.247 1.065 1.00 0.26 H new ATOM 0 HE2 LYS A 32 -15.599 -4.127 0.317 1.00 0.28 H new ATOM 0 HE3 LYS A 32 -16.337 -4.338 1.892 1.00 0.28 H new ATOM 0 HZ1 LYS A 32 -17.849 -3.275 0.353 1.00 0.67 H new ATOM 0 HZ2 LYS A 32 -17.467 -2.209 1.619 1.00 0.67 H new ATOM 0 HZ3 LYS A 32 -16.752 -2.005 0.092 1.00 0.67 H new ATOM 389 N LEU A 33 -11.037 -2.762 0.279 1.00 0.12 N ATOM 390 CA LEU A 33 -10.904 -2.015 -0.962 1.00 0.13 C ATOM 391 C LEU A 33 -12.251 -1.825 -1.625 1.00 0.14 C ATOM 392 O LEU A 33 -13.116 -2.699 -1.562 1.00 0.16 O ATOM 393 CB LEU A 33 -9.945 -2.703 -1.935 1.00 0.16 C ATOM 394 CG LEU A 33 -8.463 -2.437 -1.683 1.00 0.18 C ATOM 395 CD1 LEU A 33 -7.603 -3.255 -2.634 1.00 0.21 C ATOM 396 CD2 LEU A 33 -8.167 -0.956 -1.847 1.00 0.18 C ATOM 0 H LEU A 33 -10.894 -3.768 0.186 1.00 0.12 H new ATOM 0 HA LEU A 33 -10.491 -1.040 -0.705 1.00 0.13 H new ATOM 0 HB2 LEU A 33 -10.117 -3.778 -1.891 1.00 0.16 H new ATOM 0 HB3 LEU A 33 -10.188 -2.382 -2.948 1.00 0.16 H new ATOM 0 HG LEU A 33 -8.224 -2.736 -0.662 1.00 0.18 H new ATOM 0 HD11 LEU A 33 -6.550 -3.052 -2.439 1.00 0.21 H new ATOM 0 HD12 LEU A 33 -7.802 -4.316 -2.483 1.00 0.21 H new ATOM 0 HD13 LEU A 33 -7.840 -2.984 -3.663 1.00 0.21 H new ATOM 0 HD21 LEU A 33 -7.108 -0.774 -1.666 1.00 0.18 H new ATOM 0 HD22 LEU A 33 -8.420 -0.644 -2.860 1.00 0.18 H new ATOM 0 HD23 LEU A 33 -8.760 -0.385 -1.133 1.00 0.18 H new ATOM 408 N LYS A 34 -12.426 -0.669 -2.249 1.00 0.15 N ATOM 409 CA LYS A 34 -13.664 -0.351 -2.947 1.00 0.19 C ATOM 410 C LYS A 34 -13.349 0.437 -4.205 1.00 0.21 C ATOM 411 O LYS A 34 -12.975 1.606 -4.132 1.00 0.23 O ATOM 412 CB LYS A 34 -14.598 0.480 -2.064 1.00 0.22 C ATOM 413 CG LYS A 34 -14.679 0.011 -0.622 1.00 0.23 C ATOM 414 CD LYS A 34 -15.736 0.773 0.160 1.00 0.47 C ATOM 415 CE LYS A 34 -15.500 2.276 0.138 1.00 0.45 C ATOM 416 NZ LYS A 34 -16.646 3.017 0.726 1.00 0.84 N ATOM 0 H LYS A 34 -11.722 0.068 -2.286 1.00 0.15 H new ATOM 0 HA LYS A 34 -14.161 -1.288 -3.199 1.00 0.19 H new ATOM 0 HB2 LYS A 34 -14.264 1.517 -2.078 1.00 0.22 H new ATOM 0 HB3 LYS A 34 -15.599 0.462 -2.496 1.00 0.22 H new ATOM 0 HG2 LYS A 34 -14.907 -1.055 -0.598 1.00 0.23 H new ATOM 0 HG3 LYS A 34 -13.709 0.140 -0.143 1.00 0.23 H new ATOM 0 HD2 LYS A 34 -16.720 0.556 -0.257 1.00 0.47 H new ATOM 0 HD3 LYS A 34 -15.743 0.424 1.193 1.00 0.47 H new ATOM 0 HE2 LYS A 34 -14.591 2.511 0.692 1.00 0.45 H new ATOM 0 HE3 LYS A 34 -15.341 2.605 -0.889 1.00 0.45 H new ATOM 0 HZ1 LYS A 34 -16.452 4.038 0.695 1.00 0.84 H new ATOM 0 HZ2 LYS A 34 -17.508 2.812 0.182 1.00 0.84 H new ATOM 0 HZ3 LYS A 34 -16.781 2.720 1.714 1.00 0.84 H new ATOM 430 N THR A 35 -13.467 -0.205 -5.351 1.00 0.23 N ATOM 431 CA THR A 35 -13.176 0.446 -6.615 1.00 0.26 C ATOM 432 C THR A 35 -13.651 -0.427 -7.780 1.00 0.28 C ATOM 433 O THR A 35 -14.352 -1.416 -7.558 1.00 0.28 O ATOM 434 CB THR A 35 -11.661 0.776 -6.712 1.00 0.27 C ATOM 435 OG1 THR A 35 -11.310 1.284 -8.002 1.00 0.34 O ATOM 436 CG2 THR A 35 -10.807 -0.439 -6.387 1.00 0.27 C ATOM 0 H THR A 35 -13.763 -1.178 -5.434 1.00 0.23 H new ATOM 0 HA THR A 35 -13.719 1.389 -6.671 1.00 0.26 H new ATOM 0 HB THR A 35 -11.462 1.552 -5.972 1.00 0.27 H new ATOM 0 HG1 THR A 35 -10.503 1.835 -7.928 1.00 0.34 H new ATOM 0 HG21 THR A 35 -9.753 -0.174 -6.464 1.00 0.27 H new ATOM 0 HG22 THR A 35 -11.023 -0.775 -5.373 1.00 0.27 H new ATOM 0 HG23 THR A 35 -11.032 -1.241 -7.091 1.00 0.27 H new ATOM 444 N HIS A 36 -13.268 -0.077 -9.005 1.00 0.33 N ATOM 445 CA HIS A 36 -13.619 -0.869 -10.188 1.00 0.38 C ATOM 446 C HIS A 36 -12.976 -2.250 -10.113 1.00 0.34 C ATOM 447 O HIS A 36 -13.354 -3.172 -10.836 1.00 0.37 O ATOM 448 CB HIS A 36 -13.179 -0.155 -11.468 1.00 0.48 C ATOM 449 CG HIS A 36 -13.932 1.110 -11.736 1.00 1.31 C ATOM 450 ND1 HIS A 36 -13.321 2.337 -11.863 1.00 2.07 N ATOM 451 CD2 HIS A 36 -15.255 1.330 -11.909 1.00 2.25 C ATOM 452 CE1 HIS A 36 -14.237 3.258 -12.101 1.00 2.94 C ATOM 453 NE2 HIS A 36 -15.419 2.673 -12.134 1.00 3.02 N ATOM 0 H HIS A 36 -12.712 0.753 -9.208 1.00 0.33 H new ATOM 0 HA HIS A 36 -14.703 -0.985 -10.210 1.00 0.38 H new ATOM 0 HB2 HIS A 36 -12.115 0.072 -11.400 1.00 0.48 H new ATOM 0 HB3 HIS A 36 -13.307 -0.831 -12.314 1.00 0.48 H new ATOM 0 HD2 HIS A 36 -16.037 0.586 -11.876 1.00 2.25 H new ATOM 0 HE1 HIS A 36 -14.050 4.312 -12.244 1.00 2.94 H new ATOM 0 HE2 HIS A 36 -16.309 3.143 -12.300 1.00 3.02 H new ATOM 462 N LEU A 37 -12.005 -2.373 -9.224 1.00 0.32 N ATOM 463 CA LEU A 37 -11.383 -3.651 -8.929 1.00 0.33 C ATOM 464 C LEU A 37 -12.421 -4.572 -8.302 1.00 0.31 C ATOM 465 O LEU A 37 -12.711 -5.643 -8.836 1.00 0.36 O ATOM 466 CB LEU A 37 -10.213 -3.435 -7.965 1.00 0.38 C ATOM 467 CG LEU A 37 -9.388 -4.669 -7.605 1.00 0.46 C ATOM 468 CD1 LEU A 37 -8.668 -5.218 -8.826 1.00 1.00 C ATOM 469 CD2 LEU A 37 -8.401 -4.315 -6.501 1.00 0.32 C ATOM 0 H LEU A 37 -11.627 -1.592 -8.688 1.00 0.32 H new ATOM 0 HA LEU A 37 -11.005 -4.106 -9.844 1.00 0.33 H new ATOM 0 HB2 LEU A 37 -9.544 -2.693 -8.402 1.00 0.38 H new ATOM 0 HB3 LEU A 37 -10.606 -3.007 -7.043 1.00 0.38 H new ATOM 0 HG LEU A 37 -10.057 -5.450 -7.244 1.00 0.46 H new ATOM 0 HD11 LEU A 37 -8.088 -6.096 -8.542 1.00 1.00 H new ATOM 0 HD12 LEU A 37 -9.399 -5.496 -9.585 1.00 1.00 H new ATOM 0 HD13 LEU A 37 -8.000 -4.456 -9.228 1.00 1.00 H new ATOM 0 HD21 LEU A 37 -7.812 -5.195 -6.244 1.00 0.32 H new ATOM 0 HD22 LEU A 37 -7.737 -3.523 -6.847 1.00 0.32 H new ATOM 0 HD23 LEU A 37 -8.946 -3.973 -5.621 1.00 0.32 H new ATOM 481 N PHE A 38 -12.995 -4.110 -7.191 1.00 0.26 N ATOM 482 CA PHE A 38 -14.052 -4.819 -6.472 1.00 0.26 C ATOM 483 C PHE A 38 -14.297 -4.118 -5.139 1.00 0.23 C ATOM 484 O PHE A 38 -13.786 -3.018 -4.914 1.00 0.22 O ATOM 485 CB PHE A 38 -13.692 -6.303 -6.240 1.00 0.27 C ATOM 486 CG PHE A 38 -12.578 -6.565 -5.254 1.00 0.32 C ATOM 487 CD1 PHE A 38 -11.682 -5.557 -4.947 1.00 0.73 C ATOM 488 CD2 PHE A 38 -12.420 -7.801 -4.641 1.00 0.67 C ATOM 489 CE1 PHE A 38 -10.655 -5.771 -4.053 1.00 0.82 C ATOM 490 CE2 PHE A 38 -11.393 -8.021 -3.749 1.00 0.71 C ATOM 491 CZ PHE A 38 -10.554 -7.090 -3.430 1.00 0.55 C ATOM 0 H PHE A 38 -12.736 -3.222 -6.761 1.00 0.26 H new ATOM 0 HA PHE A 38 -14.958 -4.800 -7.078 1.00 0.26 H new ATOM 0 HB2 PHE A 38 -14.585 -6.824 -5.896 1.00 0.27 H new ATOM 0 HB3 PHE A 38 -13.415 -6.744 -7.198 1.00 0.27 H new ATOM 0 HD1 PHE A 38 -11.789 -4.589 -5.414 1.00 0.73 H new ATOM 0 HD2 PHE A 38 -13.111 -8.600 -4.866 1.00 0.67 H new ATOM 0 HE1 PHE A 38 -9.947 -4.989 -3.820 1.00 0.82 H new ATOM 0 HE2 PHE A 38 -11.286 -8.999 -3.304 1.00 0.71 H new ATOM 0 HZ PHE A 38 -9.779 -7.287 -2.704 1.00 0.55 H new ATOM 501 N SER A 39 -15.070 -4.743 -4.270 1.00 0.23 N ATOM 502 CA SER A 39 -15.251 -4.238 -2.923 1.00 0.22 C ATOM 503 C SER A 39 -15.199 -5.390 -1.921 1.00 0.22 C ATOM 504 O SER A 39 -16.182 -6.104 -1.734 1.00 0.28 O ATOM 505 CB SER A 39 -16.579 -3.482 -2.828 1.00 0.27 C ATOM 506 OG SER A 39 -17.633 -4.220 -3.424 1.00 0.34 O ATOM 0 H SER A 39 -15.582 -5.601 -4.474 1.00 0.23 H new ATOM 0 HA SER A 39 -14.445 -3.545 -2.683 1.00 0.22 H new ATOM 0 HB2 SER A 39 -16.815 -3.286 -1.782 1.00 0.27 H new ATOM 0 HB3 SER A 39 -16.486 -2.514 -3.320 1.00 0.27 H new ATOM 0 HG SER A 39 -17.605 -5.146 -3.105 1.00 0.34 H new ATOM 512 N GLU A 40 -14.049 -5.545 -1.267 1.00 0.20 N ATOM 513 CA GLU A 40 -13.807 -6.657 -0.345 1.00 0.24 C ATOM 514 C GLU A 40 -12.682 -6.310 0.618 1.00 0.18 C ATOM 515 O GLU A 40 -11.915 -5.378 0.377 1.00 0.15 O ATOM 516 CB GLU A 40 -13.420 -7.927 -1.108 1.00 0.33 C ATOM 517 CG GLU A 40 -14.585 -8.666 -1.746 1.00 0.47 C ATOM 518 CD GLU A 40 -15.523 -9.267 -0.720 1.00 1.15 C ATOM 519 OE1 GLU A 40 -15.098 -10.172 0.030 1.00 1.45 O ATOM 520 OE2 GLU A 40 -16.691 -8.832 -0.660 1.00 2.08 O ATOM 0 H GLU A 40 -13.260 -4.906 -1.360 1.00 0.20 H new ATOM 0 HA GLU A 40 -14.730 -6.833 0.207 1.00 0.24 H new ATOM 0 HB2 GLU A 40 -12.705 -7.662 -1.887 1.00 0.33 H new ATOM 0 HB3 GLU A 40 -12.909 -8.604 -0.423 1.00 0.33 H new ATOM 0 HG2 GLU A 40 -15.141 -7.979 -2.384 1.00 0.47 H new ATOM 0 HG3 GLU A 40 -14.200 -9.457 -2.389 1.00 0.47 H new ATOM 527 N THR A 41 -12.581 -7.070 1.700 1.00 0.20 N ATOM 528 CA THR A 41 -11.534 -6.860 2.686 1.00 0.19 C ATOM 529 C THR A 41 -10.243 -7.547 2.253 1.00 0.18 C ATOM 530 O THR A 41 -10.210 -8.760 2.028 1.00 0.23 O ATOM 531 CB THR A 41 -11.957 -7.379 4.070 1.00 0.25 C ATOM 532 OG1 THR A 41 -13.193 -6.767 4.464 1.00 0.32 O ATOM 533 CG2 THR A 41 -10.890 -7.090 5.116 1.00 0.27 C ATOM 0 H THR A 41 -13.215 -7.840 1.916 1.00 0.20 H new ATOM 0 HA THR A 41 -11.362 -5.786 2.758 1.00 0.19 H new ATOM 0 HB THR A 41 -12.087 -8.459 4.000 1.00 0.25 H new ATOM 0 HG1 THR A 41 -13.458 -7.103 5.346 1.00 0.32 H new ATOM 0 HG21 THR A 41 -11.218 -7.469 6.084 1.00 0.27 H new ATOM 0 HG22 THR A 41 -9.959 -7.580 4.831 1.00 0.27 H new ATOM 0 HG23 THR A 41 -10.728 -6.014 5.183 1.00 0.27 H new ATOM 541 N VAL A 42 -9.187 -6.762 2.137 1.00 0.16 N ATOM 542 CA VAL A 42 -7.903 -7.253 1.673 1.00 0.16 C ATOM 543 C VAL A 42 -6.836 -6.974 2.723 1.00 0.16 C ATOM 544 O VAL A 42 -7.056 -6.195 3.653 1.00 0.23 O ATOM 545 CB VAL A 42 -7.505 -6.571 0.341 1.00 0.15 C ATOM 546 CG1 VAL A 42 -8.678 -6.577 -0.629 1.00 0.16 C ATOM 547 CG2 VAL A 42 -7.015 -5.147 0.574 1.00 0.15 C ATOM 0 H VAL A 42 -9.196 -5.767 2.362 1.00 0.16 H new ATOM 0 HA VAL A 42 -7.984 -8.327 1.506 1.00 0.16 H new ATOM 0 HB VAL A 42 -6.685 -7.140 -0.096 1.00 0.15 H new ATOM 0 HG11 VAL A 42 -8.382 -6.094 -1.560 1.00 0.16 H new ATOM 0 HG12 VAL A 42 -8.977 -7.605 -0.832 1.00 0.16 H new ATOM 0 HG13 VAL A 42 -9.516 -6.036 -0.190 1.00 0.16 H new ATOM 0 HG21 VAL A 42 -6.743 -4.695 -0.380 1.00 0.15 H new ATOM 0 HG22 VAL A 42 -7.807 -4.561 1.040 1.00 0.15 H new ATOM 0 HG23 VAL A 42 -6.144 -5.165 1.229 1.00 0.15 H new ATOM 557 N LYS A 43 -5.693 -7.618 2.597 1.00 0.13 N ATOM 558 CA LYS A 43 -4.559 -7.277 3.432 1.00 0.14 C ATOM 559 C LYS A 43 -3.509 -6.593 2.579 1.00 0.13 C ATOM 560 O LYS A 43 -3.020 -7.172 1.614 1.00 0.15 O ATOM 561 CB LYS A 43 -3.964 -8.510 4.116 1.00 0.17 C ATOM 562 CG LYS A 43 -2.919 -8.152 5.166 1.00 0.26 C ATOM 563 CD LYS A 43 -2.343 -9.376 5.857 1.00 0.34 C ATOM 564 CE LYS A 43 -1.325 -10.094 4.986 1.00 0.89 C ATOM 565 NZ LYS A 43 -0.101 -9.272 4.767 1.00 1.61 N ATOM 0 H LYS A 43 -5.525 -8.373 1.932 1.00 0.13 H new ATOM 0 HA LYS A 43 -4.899 -6.605 4.220 1.00 0.14 H new ATOM 0 HB2 LYS A 43 -4.764 -9.082 4.586 1.00 0.17 H new ATOM 0 HB3 LYS A 43 -3.511 -9.155 3.363 1.00 0.17 H new ATOM 0 HG2 LYS A 43 -2.112 -7.592 4.694 1.00 0.26 H new ATOM 0 HG3 LYS A 43 -3.368 -7.496 5.912 1.00 0.26 H new ATOM 0 HD2 LYS A 43 -1.872 -9.076 6.793 1.00 0.34 H new ATOM 0 HD3 LYS A 43 -3.151 -10.062 6.112 1.00 0.34 H new ATOM 0 HE2 LYS A 43 -1.049 -11.039 5.455 1.00 0.89 H new ATOM 0 HE3 LYS A 43 -1.777 -10.336 4.024 1.00 0.89 H new ATOM 0 HZ1 LYS A 43 0.099 -9.212 3.748 1.00 1.61 H new ATOM 0 HZ2 LYS A 43 -0.252 -8.316 5.147 1.00 1.61 H new ATOM 0 HZ3 LYS A 43 0.705 -9.714 5.253 1.00 1.61 H new ATOM 579 N VAL A 44 -3.150 -5.380 2.946 1.00 0.13 N ATOM 580 CA VAL A 44 -2.232 -4.585 2.148 1.00 0.14 C ATOM 581 C VAL A 44 -0.841 -4.636 2.746 1.00 0.15 C ATOM 582 O VAL A 44 -0.672 -5.010 3.910 1.00 0.19 O ATOM 583 CB VAL A 44 -2.681 -3.108 2.033 1.00 0.20 C ATOM 584 CG1 VAL A 44 -3.045 -2.774 0.596 1.00 0.35 C ATOM 585 CG2 VAL A 44 -3.855 -2.812 2.959 1.00 0.25 C ATOM 0 H VAL A 44 -3.480 -4.920 3.794 1.00 0.13 H new ATOM 0 HA VAL A 44 -2.228 -5.015 1.146 1.00 0.14 H new ATOM 0 HB VAL A 44 -1.844 -2.480 2.340 1.00 0.20 H new ATOM 0 HG11 VAL A 44 -3.358 -1.732 0.533 1.00 0.35 H new ATOM 0 HG12 VAL A 44 -2.178 -2.932 -0.045 1.00 0.35 H new ATOM 0 HG13 VAL A 44 -3.860 -3.419 0.268 1.00 0.35 H new ATOM 0 HG21 VAL A 44 -4.146 -1.767 2.855 1.00 0.25 H new ATOM 0 HG22 VAL A 44 -4.697 -3.452 2.695 1.00 0.25 H new ATOM 0 HG23 VAL A 44 -3.562 -3.006 3.991 1.00 0.25 H new ATOM 595 N THR A 45 0.145 -4.297 1.932 1.00 0.15 N ATOM 596 CA THR A 45 1.539 -4.327 2.332 1.00 0.16 C ATOM 597 C THR A 45 2.400 -3.866 1.157 1.00 0.13 C ATOM 598 O THR A 45 1.874 -3.419 0.138 1.00 0.14 O ATOM 599 CB THR A 45 1.953 -5.751 2.776 1.00 0.19 C ATOM 600 OG1 THR A 45 3.273 -5.742 3.335 1.00 0.21 O ATOM 601 CG2 THR A 45 1.899 -6.731 1.610 1.00 0.20 C ATOM 0 H THR A 45 -0.002 -3.992 0.970 1.00 0.15 H new ATOM 0 HA THR A 45 1.685 -3.658 3.180 1.00 0.16 H new ATOM 0 HB THR A 45 1.243 -6.076 3.536 1.00 0.19 H new ATOM 0 HG1 THR A 45 3.214 -5.707 4.313 1.00 0.21 H new ATOM 0 HG21 THR A 45 2.195 -7.722 1.954 1.00 0.20 H new ATOM 0 HG22 THR A 45 0.884 -6.772 1.216 1.00 0.20 H new ATOM 0 HG23 THR A 45 2.580 -6.401 0.825 1.00 0.20 H new ATOM 609 N CYS A 46 3.708 -3.963 1.291 1.00 0.15 N ATOM 610 CA CYS A 46 4.599 -3.609 0.205 1.00 0.14 C ATOM 611 C CYS A 46 5.662 -4.685 0.047 1.00 0.15 C ATOM 612 O CYS A 46 5.843 -5.521 0.935 1.00 0.19 O ATOM 613 CB CYS A 46 5.233 -2.234 0.452 1.00 0.16 C ATOM 614 SG CYS A 46 6.485 -2.203 1.752 1.00 0.19 S ATOM 0 H CYS A 46 4.176 -4.283 2.139 1.00 0.15 H new ATOM 0 HA CYS A 46 4.028 -3.545 -0.721 1.00 0.14 H new ATOM 0 HB2 CYS A 46 5.684 -1.885 -0.477 1.00 0.16 H new ATOM 0 HB3 CYS A 46 4.445 -1.526 0.709 1.00 0.16 H new ATOM 0 HG CYS A 46 7.486 -2.959 1.409 1.00 0.19 H new ATOM 620 N SER A 47 6.350 -4.682 -1.085 1.00 0.19 N ATOM 621 CA SER A 47 7.380 -5.671 -1.346 1.00 0.27 C ATOM 622 C SER A 47 8.619 -5.384 -0.494 1.00 0.25 C ATOM 623 O SER A 47 8.694 -4.337 0.156 1.00 0.25 O ATOM 624 CB SER A 47 7.724 -5.693 -2.837 1.00 0.41 C ATOM 625 OG SER A 47 8.564 -6.787 -3.162 1.00 1.15 O ATOM 0 H SER A 47 6.212 -4.005 -1.836 1.00 0.19 H new ATOM 0 HA SER A 47 7.005 -6.657 -1.071 1.00 0.27 H new ATOM 0 HB2 SER A 47 6.806 -5.752 -3.422 1.00 0.41 H new ATOM 0 HB3 SER A 47 8.217 -4.761 -3.111 1.00 0.41 H new ATOM 0 HG SER A 47 8.763 -6.773 -4.121 1.00 1.15 H new ATOM 631 N LYS A 48 9.584 -6.293 -0.508 1.00 0.29 N ATOM 632 CA LYS A 48 10.716 -6.223 0.416 1.00 0.31 C ATOM 633 C LYS A 48 11.516 -4.933 0.263 1.00 0.27 C ATOM 634 O LYS A 48 11.847 -4.293 1.257 1.00 0.40 O ATOM 635 CB LYS A 48 11.638 -7.427 0.241 1.00 0.39 C ATOM 636 CG LYS A 48 11.049 -8.724 0.766 1.00 0.56 C ATOM 637 CD LYS A 48 12.049 -9.862 0.670 1.00 0.74 C ATOM 638 CE LYS A 48 11.533 -11.117 1.353 1.00 1.36 C ATOM 639 NZ LYS A 48 12.498 -12.240 1.246 1.00 2.10 N ATOM 0 H LYS A 48 9.609 -7.088 -1.147 1.00 0.29 H new ATOM 0 HA LYS A 48 10.295 -6.234 1.421 1.00 0.31 H new ATOM 0 HB2 LYS A 48 11.871 -7.545 -0.817 1.00 0.39 H new ATOM 0 HB3 LYS A 48 12.579 -7.231 0.754 1.00 0.39 H new ATOM 0 HG2 LYS A 48 10.742 -8.593 1.804 1.00 0.56 H new ATOM 0 HG3 LYS A 48 10.153 -8.975 0.198 1.00 0.56 H new ATOM 0 HD2 LYS A 48 12.258 -10.077 -0.378 1.00 0.74 H new ATOM 0 HD3 LYS A 48 12.991 -9.559 1.127 1.00 0.74 H new ATOM 0 HE2 LYS A 48 11.338 -10.905 2.404 1.00 1.36 H new ATOM 0 HE3 LYS A 48 10.583 -11.410 0.905 1.00 1.36 H new ATOM 0 HZ1 LYS A 48 12.110 -13.078 1.724 1.00 2.10 H new ATOM 0 HZ2 LYS A 48 12.665 -12.460 0.243 1.00 2.10 H new ATOM 0 HZ3 LYS A 48 13.396 -11.970 1.696 1.00 2.10 H new ATOM 653 N ASP A 49 11.813 -4.546 -0.972 1.00 0.27 N ATOM 654 CA ASP A 49 12.624 -3.349 -1.218 1.00 0.27 C ATOM 655 C ASP A 49 11.754 -2.103 -1.267 1.00 0.25 C ATOM 656 O ASP A 49 12.244 -1.007 -1.528 1.00 0.28 O ATOM 657 CB ASP A 49 13.399 -3.461 -2.532 1.00 0.36 C ATOM 658 CG ASP A 49 14.268 -4.698 -2.605 1.00 0.48 C ATOM 659 OD1 ASP A 49 15.366 -4.701 -2.011 1.00 0.71 O ATOM 660 OD2 ASP A 49 13.858 -5.674 -3.270 1.00 0.56 O ATOM 0 H ASP A 49 11.510 -5.035 -1.814 1.00 0.27 H new ATOM 0 HA ASP A 49 13.330 -3.269 -0.392 1.00 0.27 H new ATOM 0 HB2 ASP A 49 12.694 -3.470 -3.363 1.00 0.36 H new ATOM 0 HB3 ASP A 49 14.025 -2.577 -2.654 1.00 0.36 H new ATOM 665 N GLY A 50 10.461 -2.279 -1.024 1.00 0.23 N ATOM 666 CA GLY A 50 9.532 -1.160 -1.056 1.00 0.25 C ATOM 667 C GLY A 50 9.167 -0.730 -2.467 1.00 0.28 C ATOM 668 O GLY A 50 8.346 0.160 -2.651 1.00 0.43 O ATOM 0 H GLY A 50 10.036 -3.180 -0.804 1.00 0.23 H new ATOM 0 HA2 GLY A 50 8.624 -1.434 -0.519 1.00 0.25 H new ATOM 0 HA3 GLY A 50 9.972 -0.315 -0.527 1.00 0.25 H new ATOM 672 N GLU A 51 9.774 -1.370 -3.462 1.00 0.25 N ATOM 673 CA GLU A 51 9.551 -1.019 -4.866 1.00 0.30 C ATOM 674 C GLU A 51 8.093 -1.218 -5.278 1.00 0.22 C ATOM 675 O GLU A 51 7.590 -0.535 -6.168 1.00 0.27 O ATOM 676 CB GLU A 51 10.458 -1.862 -5.767 1.00 0.40 C ATOM 677 CG GLU A 51 11.930 -1.482 -5.702 1.00 0.74 C ATOM 678 CD GLU A 51 12.216 -0.108 -6.283 1.00 1.30 C ATOM 679 OE1 GLU A 51 11.795 0.159 -7.429 1.00 1.80 O ATOM 680 OE2 GLU A 51 12.892 0.700 -5.608 1.00 1.99 O ATOM 0 H GLU A 51 10.429 -2.140 -3.323 1.00 0.25 H new ATOM 0 HA GLU A 51 9.792 0.038 -4.982 1.00 0.30 H new ATOM 0 HB2 GLU A 51 10.353 -2.911 -5.490 1.00 0.40 H new ATOM 0 HB3 GLU A 51 10.115 -1.769 -6.798 1.00 0.40 H new ATOM 0 HG2 GLU A 51 12.260 -1.507 -4.663 1.00 0.74 H new ATOM 0 HG3 GLU A 51 12.516 -2.227 -6.241 1.00 0.74 H new ATOM 687 N GLU A 52 7.416 -2.149 -4.627 1.00 0.24 N ATOM 688 CA GLU A 52 6.047 -2.482 -4.986 1.00 0.21 C ATOM 689 C GLU A 52 5.117 -2.411 -3.792 1.00 0.18 C ATOM 690 O GLU A 52 5.529 -2.655 -2.660 1.00 0.21 O ATOM 691 CB GLU A 52 5.973 -3.893 -5.557 1.00 0.27 C ATOM 692 CG GLU A 52 6.445 -4.019 -6.994 1.00 0.56 C ATOM 693 CD GLU A 52 6.381 -5.448 -7.486 1.00 0.97 C ATOM 694 OE1 GLU A 52 7.244 -6.255 -7.086 1.00 1.29 O ATOM 695 OE2 GLU A 52 5.463 -5.781 -8.265 1.00 1.49 O ATOM 0 H GLU A 52 7.792 -2.688 -3.847 1.00 0.24 H new ATOM 0 HA GLU A 52 5.733 -1.750 -5.730 1.00 0.21 H new ATOM 0 HB2 GLU A 52 6.572 -4.555 -4.932 1.00 0.27 H new ATOM 0 HB3 GLU A 52 4.942 -4.242 -5.495 1.00 0.27 H new ATOM 0 HG2 GLU A 52 5.830 -3.387 -7.635 1.00 0.56 H new ATOM 0 HG3 GLU A 52 7.469 -3.653 -7.073 1.00 0.56 H new ATOM 702 N VAL A 53 3.866 -2.084 -4.062 1.00 0.16 N ATOM 703 CA VAL A 53 2.803 -2.230 -3.085 1.00 0.16 C ATOM 704 C VAL A 53 1.955 -3.424 -3.486 1.00 0.18 C ATOM 705 O VAL A 53 1.546 -3.527 -4.638 1.00 0.34 O ATOM 706 CB VAL A 53 1.908 -0.977 -2.999 1.00 0.17 C ATOM 707 CG1 VAL A 53 0.834 -1.145 -1.930 1.00 0.20 C ATOM 708 CG2 VAL A 53 2.741 0.262 -2.726 1.00 0.21 C ATOM 0 H VAL A 53 3.560 -1.711 -4.961 1.00 0.16 H new ATOM 0 HA VAL A 53 3.255 -2.371 -2.103 1.00 0.16 H new ATOM 0 HB VAL A 53 1.412 -0.853 -3.962 1.00 0.17 H new ATOM 0 HG11 VAL A 53 0.217 -0.247 -1.890 1.00 0.20 H new ATOM 0 HG12 VAL A 53 0.209 -2.004 -2.174 1.00 0.20 H new ATOM 0 HG13 VAL A 53 1.307 -1.304 -0.961 1.00 0.20 H new ATOM 0 HG21 VAL A 53 2.089 1.134 -2.669 1.00 0.21 H new ATOM 0 HG22 VAL A 53 3.271 0.143 -1.781 1.00 0.21 H new ATOM 0 HG23 VAL A 53 3.462 0.400 -3.531 1.00 0.21 H new ATOM 718 N GLN A 54 1.703 -4.322 -2.553 1.00 0.16 N ATOM 719 CA GLN A 54 1.001 -5.555 -2.865 1.00 0.16 C ATOM 720 C GLN A 54 -0.065 -5.843 -1.818 1.00 0.16 C ATOM 721 O GLN A 54 0.044 -5.410 -0.673 1.00 0.24 O ATOM 722 CB GLN A 54 1.998 -6.715 -2.970 1.00 0.29 C ATOM 723 CG GLN A 54 2.875 -6.884 -1.740 1.00 0.68 C ATOM 724 CD GLN A 54 3.975 -7.915 -1.925 1.00 1.17 C ATOM 725 OE1 GLN A 54 4.463 -8.058 -3.150 1.00 2.12 O flip ATOM 726 NE2 GLN A 54 4.390 -8.571 -0.971 1.00 0.88 N flip ATOM 0 H GLN A 54 1.973 -4.223 -1.574 1.00 0.16 H new ATOM 0 HA GLN A 54 0.502 -5.443 -3.827 1.00 0.16 H new ATOM 0 HB2 GLN A 54 1.448 -7.640 -3.142 1.00 0.29 H new ATOM 0 HB3 GLN A 54 2.635 -6.556 -3.840 1.00 0.29 H new ATOM 0 HG2 GLN A 54 3.325 -5.924 -1.488 1.00 0.68 H new ATOM 0 HG3 GLN A 54 2.252 -7.175 -0.895 1.00 0.68 H new ATOM 0 HE21 GLN A 54 3.989 -8.432 -0.044 1.00 0.88 H new ATOM 0 HE22 GLN A 54 5.135 -9.254 -1.107 1.00 0.88 H new ATOM 735 N TRP A 55 -1.098 -6.563 -2.212 1.00 0.14 N ATOM 736 CA TRP A 55 -2.206 -6.846 -1.317 1.00 0.16 C ATOM 737 C TRP A 55 -2.753 -8.246 -1.530 1.00 0.17 C ATOM 738 O TRP A 55 -2.629 -8.836 -2.607 1.00 0.18 O ATOM 739 CB TRP A 55 -3.328 -5.813 -1.484 1.00 0.18 C ATOM 740 CG TRP A 55 -3.683 -5.533 -2.911 1.00 0.18 C ATOM 741 CD1 TRP A 55 -4.581 -6.205 -3.685 1.00 0.22 C ATOM 742 CD2 TRP A 55 -3.143 -4.496 -3.730 1.00 0.19 C ATOM 743 NE1 TRP A 55 -4.626 -5.651 -4.941 1.00 0.23 N ATOM 744 CE2 TRP A 55 -3.752 -4.599 -4.992 1.00 0.21 C ATOM 745 CE3 TRP A 55 -2.200 -3.493 -3.516 1.00 0.24 C ATOM 746 CZ2 TRP A 55 -3.446 -3.732 -6.036 1.00 0.24 C ATOM 747 CZ3 TRP A 55 -1.899 -2.635 -4.548 1.00 0.29 C ATOM 748 CH2 TRP A 55 -2.519 -2.757 -5.797 1.00 0.28 C ATOM 0 H TRP A 55 -1.194 -6.963 -3.145 1.00 0.14 H new ATOM 0 HA TRP A 55 -1.820 -6.782 -0.300 1.00 0.16 H new ATOM 0 HB2 TRP A 55 -4.216 -6.167 -0.961 1.00 0.18 H new ATOM 0 HB3 TRP A 55 -3.026 -4.882 -1.005 1.00 0.18 H new ATOM 0 HD1 TRP A 55 -5.171 -7.049 -3.359 1.00 0.22 H new ATOM 0 HE1 TRP A 55 -5.215 -5.971 -5.710 1.00 0.23 H new ATOM 0 HE3 TRP A 55 -1.714 -3.391 -2.557 1.00 0.24 H new ATOM 0 HZ2 TRP A 55 -3.924 -3.826 -7.000 1.00 0.24 H new ATOM 0 HZ3 TRP A 55 -1.171 -1.853 -4.392 1.00 0.29 H new ATOM 0 HH2 TRP A 55 -2.260 -2.067 -6.587 1.00 0.28 H new ATOM 759 N PHE A 56 -3.356 -8.768 -0.483 1.00 0.21 N ATOM 760 CA PHE A 56 -3.940 -10.090 -0.496 1.00 0.23 C ATOM 761 C PHE A 56 -5.450 -9.971 -0.405 1.00 0.23 C ATOM 762 O PHE A 56 -5.994 -9.704 0.666 1.00 0.26 O ATOM 763 CB PHE A 56 -3.395 -10.904 0.680 1.00 0.26 C ATOM 764 CG PHE A 56 -1.897 -10.966 0.707 1.00 0.30 C ATOM 765 CD1 PHE A 56 -1.219 -11.973 0.044 1.00 0.45 C ATOM 766 CD2 PHE A 56 -1.165 -10.006 1.388 1.00 0.37 C ATOM 767 CE1 PHE A 56 0.161 -12.020 0.058 1.00 0.53 C ATOM 768 CE2 PHE A 56 0.212 -10.050 1.407 1.00 0.44 C ATOM 769 CZ PHE A 56 0.877 -11.057 0.740 1.00 0.48 C ATOM 0 H PHE A 56 -3.455 -8.282 0.408 1.00 0.21 H new ATOM 0 HA PHE A 56 -3.680 -10.601 -1.423 1.00 0.23 H new ATOM 0 HB2 PHE A 56 -3.752 -10.467 1.613 1.00 0.26 H new ATOM 0 HB3 PHE A 56 -3.794 -11.917 0.629 1.00 0.26 H new ATOM 0 HD1 PHE A 56 -1.774 -12.730 -0.490 1.00 0.45 H new ATOM 0 HD2 PHE A 56 -1.680 -9.214 1.910 1.00 0.37 H new ATOM 0 HE1 PHE A 56 0.680 -12.810 -0.465 1.00 0.53 H new ATOM 0 HE2 PHE A 56 0.770 -9.297 1.944 1.00 0.44 H new ATOM 0 HZ PHE A 56 1.956 -11.092 0.751 1.00 0.48 H new ATOM 779 N LYS A 57 -6.118 -10.144 -1.532 1.00 0.28 N ATOM 780 CA LYS A 57 -7.559 -9.977 -1.585 1.00 0.29 C ATOM 781 C LYS A 57 -8.260 -11.229 -1.090 1.00 0.35 C ATOM 782 O LYS A 57 -8.166 -12.292 -1.706 1.00 0.54 O ATOM 783 CB LYS A 57 -8.011 -9.645 -3.006 1.00 0.35 C ATOM 784 CG LYS A 57 -7.285 -8.451 -3.609 1.00 0.36 C ATOM 785 CD LYS A 57 -7.835 -8.068 -4.978 1.00 0.55 C ATOM 786 CE LYS A 57 -7.735 -9.206 -5.984 1.00 0.95 C ATOM 787 NZ LYS A 57 -8.176 -8.785 -7.340 1.00 1.20 N ATOM 0 H LYS A 57 -5.687 -10.399 -2.420 1.00 0.28 H new ATOM 0 HA LYS A 57 -7.829 -9.147 -0.933 1.00 0.29 H new ATOM 0 HB2 LYS A 57 -7.853 -10.516 -3.642 1.00 0.35 H new ATOM 0 HB3 LYS A 57 -9.082 -9.444 -3.001 1.00 0.35 H new ATOM 0 HG2 LYS A 57 -7.370 -7.599 -2.935 1.00 0.36 H new ATOM 0 HG3 LYS A 57 -6.223 -8.682 -3.698 1.00 0.36 H new ATOM 0 HD2 LYS A 57 -8.878 -7.768 -4.876 1.00 0.55 H new ATOM 0 HD3 LYS A 57 -7.290 -7.203 -5.356 1.00 0.55 H new ATOM 0 HE2 LYS A 57 -6.705 -9.561 -6.030 1.00 0.95 H new ATOM 0 HE3 LYS A 57 -8.346 -10.044 -5.647 1.00 0.95 H new ATOM 0 HZ1 LYS A 57 -8.109 -9.592 -7.993 1.00 1.20 H new ATOM 0 HZ2 LYS A 57 -9.161 -8.454 -7.298 1.00 1.20 H new ATOM 0 HZ3 LYS A 57 -7.566 -8.014 -7.679 1.00 1.20 H new ATOM 801 N GLY A 58 -8.946 -11.096 0.033 1.00 0.38 N ATOM 802 CA GLY A 58 -9.650 -12.216 0.612 1.00 0.48 C ATOM 803 C GLY A 58 -8.707 -13.269 1.153 1.00 0.73 C ATOM 804 O GLY A 58 -7.742 -12.953 1.854 1.00 1.35 O ATOM 0 H GLY A 58 -9.027 -10.224 0.557 1.00 0.38 H new ATOM 0 HA2 GLY A 58 -10.295 -11.861 1.416 1.00 0.48 H new ATOM 0 HA3 GLY A 58 -10.298 -12.664 -0.141 1.00 0.48 H new ATOM 808 N LYS A 59 -8.971 -14.516 0.802 1.00 0.99 N ATOM 809 CA LYS A 59 -8.166 -15.636 1.264 1.00 1.48 C ATOM 810 C LYS A 59 -7.105 -15.998 0.226 1.00 1.81 C ATOM 811 O LYS A 59 -7.018 -17.142 -0.234 1.00 2.63 O ATOM 812 CB LYS A 59 -9.067 -16.835 1.577 1.00 1.89 C ATOM 813 CG LYS A 59 -10.012 -17.206 0.445 1.00 2.69 C ATOM 814 CD LYS A 59 -10.956 -18.323 0.851 1.00 3.35 C ATOM 815 CE LYS A 59 -11.878 -18.720 -0.290 1.00 4.22 C ATOM 816 NZ LYS A 59 -11.126 -19.272 -1.447 1.00 4.98 N ATOM 0 H LYS A 59 -9.745 -14.781 0.192 1.00 0.99 H new ATOM 0 HA LYS A 59 -7.650 -15.348 2.180 1.00 1.48 H new ATOM 0 HB2 LYS A 59 -8.441 -17.696 1.812 1.00 1.89 H new ATOM 0 HB3 LYS A 59 -9.653 -16.614 2.469 1.00 1.89 H new ATOM 0 HG2 LYS A 59 -10.589 -16.330 0.150 1.00 2.69 H new ATOM 0 HG3 LYS A 59 -9.434 -17.515 -0.426 1.00 2.69 H new ATOM 0 HD2 LYS A 59 -10.378 -19.190 1.171 1.00 3.35 H new ATOM 0 HD3 LYS A 59 -11.552 -18.004 1.706 1.00 3.35 H new ATOM 0 HE2 LYS A 59 -12.594 -19.461 0.064 1.00 4.22 H new ATOM 0 HE3 LYS A 59 -12.452 -17.851 -0.612 1.00 4.22 H new ATOM 0 HZ1 LYS A 59 -11.786 -19.744 -2.097 1.00 4.98 H new ATOM 0 HZ2 LYS A 59 -10.642 -18.499 -1.947 1.00 4.98 H new ATOM 0 HZ3 LYS A 59 -10.423 -19.959 -1.108 1.00 4.98 H new ATOM 830 N SER A 60 -6.306 -15.005 -0.143 1.00 1.73 N ATOM 831 CA SER A 60 -5.223 -15.192 -1.096 1.00 2.21 C ATOM 832 C SER A 60 -4.232 -16.219 -0.561 1.00 1.61 C ATOM 833 O SER A 60 -3.975 -16.269 0.645 1.00 2.01 O ATOM 834 CB SER A 60 -4.513 -13.854 -1.343 1.00 3.22 C ATOM 835 OG SER A 60 -3.572 -13.945 -2.403 1.00 3.89 O ATOM 0 H SER A 60 -6.391 -14.051 0.209 1.00 1.73 H new ATOM 0 HA SER A 60 -5.633 -15.556 -2.038 1.00 2.21 H new ATOM 0 HB2 SER A 60 -5.252 -13.088 -1.578 1.00 3.22 H new ATOM 0 HB3 SER A 60 -4.005 -13.538 -0.432 1.00 3.22 H new ATOM 0 HG SER A 60 -2.665 -13.969 -2.034 1.00 3.89 H new ATOM 841 N THR A 61 -3.702 -17.045 -1.456 1.00 1.47 N ATOM 842 CA THR A 61 -2.737 -18.064 -1.083 1.00 1.55 C ATOM 843 C THR A 61 -1.531 -17.424 -0.400 1.00 1.39 C ATOM 844 O THR A 61 -0.827 -16.612 -0.995 1.00 1.72 O ATOM 845 CB THR A 61 -2.279 -18.862 -2.319 1.00 2.37 C ATOM 846 OG1 THR A 61 -3.427 -19.316 -3.055 1.00 2.95 O ATOM 847 CG2 THR A 61 -1.428 -20.057 -1.912 1.00 2.95 C ATOM 0 H THR A 61 -3.928 -17.026 -2.450 1.00 1.47 H new ATOM 0 HA THR A 61 -3.218 -18.751 -0.387 1.00 1.55 H new ATOM 0 HB THR A 61 -1.675 -18.206 -2.946 1.00 2.37 H new ATOM 0 HG1 THR A 61 -3.133 -19.822 -3.841 1.00 2.95 H new ATOM 0 HG21 THR A 61 -1.118 -20.603 -2.803 1.00 2.95 H new ATOM 0 HG22 THR A 61 -0.546 -19.709 -1.374 1.00 2.95 H new ATOM 0 HG23 THR A 61 -2.010 -20.715 -1.267 1.00 2.95 H new ATOM 855 N ALA A 62 -1.307 -17.787 0.854 1.00 1.24 N ATOM 856 CA ALA A 62 -0.269 -17.164 1.662 1.00 1.29 C ATOM 857 C ALA A 62 1.112 -17.752 1.378 1.00 1.32 C ATOM 858 O ALA A 62 1.861 -18.065 2.304 1.00 1.69 O ATOM 859 CB ALA A 62 -0.619 -17.283 3.132 1.00 1.53 C ATOM 0 H ALA A 62 -1.834 -18.515 1.337 1.00 1.24 H new ATOM 0 HA ALA A 62 -0.222 -16.109 1.391 1.00 1.29 H new ATOM 0 HB1 ALA A 62 0.162 -16.815 3.731 1.00 1.53 H new ATOM 0 HB2 ALA A 62 -1.570 -16.784 3.321 1.00 1.53 H new ATOM 0 HB3 ALA A 62 -0.701 -18.336 3.402 1.00 1.53 H new ATOM 865 N GLY A 63 1.429 -17.819 0.085 1.00 1.20 N ATOM 866 CA GLY A 63 2.696 -18.335 -0.439 1.00 1.25 C ATOM 867 C GLY A 63 3.526 -19.159 0.528 1.00 1.40 C ATOM 868 O GLY A 63 3.069 -20.171 1.063 1.00 1.99 O ATOM 0 H GLY A 63 0.793 -17.507 -0.649 1.00 1.20 H new ATOM 0 HA2 GLY A 63 2.482 -18.946 -1.316 1.00 1.25 H new ATOM 0 HA3 GLY A 63 3.298 -17.491 -0.777 1.00 1.25 H new ATOM 872 N ALA A 64 4.759 -18.718 0.740 1.00 1.55 N ATOM 873 CA ALA A 64 5.680 -19.401 1.639 1.00 1.66 C ATOM 874 C ALA A 64 5.512 -18.920 3.076 1.00 1.67 C ATOM 875 O ALA A 64 6.427 -18.325 3.648 1.00 1.74 O ATOM 876 CB ALA A 64 7.114 -19.194 1.174 1.00 1.76 C ATOM 0 H ALA A 64 5.146 -17.884 0.298 1.00 1.55 H new ATOM 0 HA ALA A 64 5.448 -20.466 1.616 1.00 1.66 H new ATOM 0 HB1 ALA A 64 7.794 -19.708 1.853 1.00 1.76 H new ATOM 0 HB2 ALA A 64 7.232 -19.596 0.168 1.00 1.76 H new ATOM 0 HB3 ALA A 64 7.344 -18.129 1.168 1.00 1.76 H new ATOM 882 N GLN A 65 4.323 -19.165 3.634 1.00 1.68 N ATOM 883 CA GLN A 65 4.005 -18.879 5.043 1.00 1.79 C ATOM 884 C GLN A 65 3.885 -17.377 5.307 1.00 1.70 C ATOM 885 O GLN A 65 2.885 -16.914 5.856 1.00 1.80 O ATOM 886 CB GLN A 65 5.041 -19.510 5.982 1.00 2.01 C ATOM 887 CG GLN A 65 5.307 -20.980 5.688 1.00 2.23 C ATOM 888 CD GLN A 65 4.048 -21.823 5.697 1.00 2.86 C ATOM 889 OE1 GLN A 65 3.106 -21.556 6.445 1.00 3.24 O ATOM 890 NE2 GLN A 65 4.011 -22.831 4.842 1.00 3.33 N ATOM 0 H GLN A 65 3.543 -19.572 3.118 1.00 1.68 H new ATOM 0 HA GLN A 65 3.034 -19.329 5.249 1.00 1.79 H new ATOM 0 HB2 GLN A 65 5.977 -18.956 5.903 1.00 2.01 H new ATOM 0 HB3 GLN A 65 4.697 -19.409 7.011 1.00 2.01 H new ATOM 0 HG2 GLN A 65 5.790 -21.069 4.715 1.00 2.23 H new ATOM 0 HG3 GLN A 65 6.005 -21.372 6.427 1.00 2.23 H new ATOM 0 HE21 GLN A 65 4.813 -23.019 4.240 1.00 3.33 H new ATOM 0 HE22 GLN A 65 3.181 -23.421 4.785 1.00 3.33 H new ATOM 899 N ASP A 66 4.891 -16.620 4.898 1.00 1.62 N ATOM 900 CA ASP A 66 4.872 -15.165 5.030 1.00 1.65 C ATOM 901 C ASP A 66 4.028 -14.534 3.931 1.00 1.49 C ATOM 902 O ASP A 66 4.091 -13.326 3.691 1.00 1.59 O ATOM 903 CB ASP A 66 6.289 -14.593 4.993 1.00 1.78 C ATOM 904 CG ASP A 66 7.034 -14.806 6.291 1.00 2.25 C ATOM 905 OD1 ASP A 66 7.118 -13.856 7.097 1.00 2.32 O ATOM 906 OD2 ASP A 66 7.544 -15.920 6.515 1.00 2.86 O ATOM 0 H ASP A 66 5.739 -16.989 4.468 1.00 1.62 H new ATOM 0 HA ASP A 66 4.427 -14.926 5.996 1.00 1.65 H new ATOM 0 HB2 ASP A 66 6.844 -15.059 4.179 1.00 1.78 H new ATOM 0 HB3 ASP A 66 6.241 -13.526 4.776 1.00 1.78 H new ATOM 911 N ARG A 67 3.241 -15.388 3.268 1.00 1.32 N ATOM 912 CA ARG A 67 2.344 -14.994 2.188 1.00 1.23 C ATOM 913 C ARG A 67 3.119 -14.312 1.073 1.00 1.18 C ATOM 914 O ARG A 67 3.112 -13.096 0.937 1.00 1.31 O ATOM 915 CB ARG A 67 1.200 -14.105 2.702 1.00 1.40 C ATOM 916 CG ARG A 67 0.914 -14.258 4.189 1.00 1.60 C ATOM 917 CD ARG A 67 -0.430 -13.661 4.562 1.00 1.84 C ATOM 918 NE ARG A 67 -0.711 -13.798 5.989 1.00 2.26 N ATOM 919 CZ ARG A 67 -1.914 -14.081 6.492 1.00 2.61 C ATOM 920 NH1 ARG A 67 -2.958 -14.240 5.687 1.00 2.62 N ATOM 921 NH2 ARG A 67 -2.073 -14.198 7.804 1.00 3.34 N ATOM 0 H ARG A 67 3.212 -16.387 3.473 1.00 1.32 H new ATOM 0 HA ARG A 67 1.889 -15.897 1.781 1.00 1.23 H new ATOM 0 HB2 ARG A 67 1.443 -13.063 2.495 1.00 1.40 H new ATOM 0 HB3 ARG A 67 0.294 -14.338 2.143 1.00 1.40 H new ATOM 0 HG2 ARG A 67 0.931 -15.314 4.457 1.00 1.60 H new ATOM 0 HG3 ARG A 67 1.702 -13.771 4.764 1.00 1.60 H new ATOM 0 HD2 ARG A 67 -0.447 -12.606 4.289 1.00 1.84 H new ATOM 0 HD3 ARG A 67 -1.217 -14.151 3.989 1.00 1.84 H new ATOM 0 HE ARG A 67 0.062 -13.669 6.642 1.00 2.26 H new ATOM 0 HH11 ARG A 67 -2.843 -14.146 4.678 1.00 2.62 H new ATOM 0 HH12 ARG A 67 -3.875 -14.456 6.078 1.00 2.62 H new ATOM 0 HH21 ARG A 67 -1.276 -14.072 8.428 1.00 3.34 H new ATOM 0 HH22 ARG A 67 -2.992 -14.414 8.189 1.00 3.34 H new ATOM 935 N LYS A 68 3.789 -15.125 0.272 1.00 1.12 N ATOM 936 CA LYS A 68 4.602 -14.623 -0.826 1.00 1.16 C ATOM 937 C LYS A 68 3.798 -14.592 -2.118 1.00 0.99 C ATOM 938 O LYS A 68 4.355 -14.483 -3.207 1.00 1.10 O ATOM 939 CB LYS A 68 5.836 -15.501 -1.014 1.00 1.39 C ATOM 940 CG LYS A 68 6.738 -15.542 0.201 1.00 1.77 C ATOM 941 CD LYS A 68 7.359 -14.188 0.486 1.00 2.01 C ATOM 942 CE LYS A 68 8.452 -14.293 1.534 1.00 2.02 C ATOM 943 NZ LYS A 68 9.623 -15.067 1.041 1.00 2.24 N ATOM 0 H LYS A 68 3.786 -16.141 0.362 1.00 1.12 H new ATOM 0 HA LYS A 68 4.916 -13.608 -0.581 1.00 1.16 H new ATOM 0 HB2 LYS A 68 5.517 -16.515 -1.255 1.00 1.39 H new ATOM 0 HB3 LYS A 68 6.406 -15.135 -1.868 1.00 1.39 H new ATOM 0 HG2 LYS A 68 6.165 -15.869 1.069 1.00 1.77 H new ATOM 0 HG3 LYS A 68 7.527 -16.278 0.044 1.00 1.77 H new ATOM 0 HD2 LYS A 68 7.772 -13.774 -0.434 1.00 2.01 H new ATOM 0 HD3 LYS A 68 6.589 -13.497 0.828 1.00 2.01 H new ATOM 0 HE2 LYS A 68 8.774 -13.293 1.824 1.00 2.02 H new ATOM 0 HE3 LYS A 68 8.052 -14.770 2.429 1.00 2.02 H new ATOM 0 HZ1 LYS A 68 10.457 -14.840 1.619 1.00 2.24 H new ATOM 0 HZ2 LYS A 68 9.420 -16.085 1.110 1.00 2.24 H new ATOM 0 HZ3 LYS A 68 9.811 -14.818 0.049 1.00 2.24 H new ATOM 957 N LYS A 69 2.484 -14.687 -1.989 1.00 0.90 N ATOM 958 CA LYS A 69 1.611 -14.744 -3.149 1.00 0.80 C ATOM 959 C LYS A 69 0.461 -13.749 -3.005 1.00 0.61 C ATOM 960 O LYS A 69 -0.619 -14.087 -2.512 1.00 0.61 O ATOM 961 CB LYS A 69 1.085 -16.172 -3.338 1.00 0.99 C ATOM 962 CG LYS A 69 0.172 -16.353 -4.549 1.00 1.06 C ATOM 963 CD LYS A 69 0.841 -15.925 -5.849 1.00 1.68 C ATOM 964 CE LYS A 69 2.094 -16.738 -6.143 1.00 2.17 C ATOM 965 NZ LYS A 69 1.805 -18.190 -6.274 1.00 2.92 N ATOM 0 H LYS A 69 1.999 -14.726 -1.092 1.00 0.90 H new ATOM 0 HA LYS A 69 2.181 -14.467 -4.036 1.00 0.80 H new ATOM 0 HB2 LYS A 69 1.934 -16.849 -3.434 1.00 0.99 H new ATOM 0 HB3 LYS A 69 0.541 -16.468 -2.441 1.00 0.99 H new ATOM 0 HG2 LYS A 69 -0.125 -17.399 -4.624 1.00 1.06 H new ATOM 0 HG3 LYS A 69 -0.739 -15.772 -4.404 1.00 1.06 H new ATOM 0 HD2 LYS A 69 0.136 -16.036 -6.673 1.00 1.68 H new ATOM 0 HD3 LYS A 69 1.100 -14.868 -5.792 1.00 1.68 H new ATOM 0 HE2 LYS A 69 2.552 -16.376 -7.064 1.00 2.17 H new ATOM 0 HE3 LYS A 69 2.820 -16.585 -5.344 1.00 2.17 H new ATOM 0 HZ1 LYS A 69 2.652 -18.683 -6.622 1.00 2.92 H new ATOM 0 HZ2 LYS A 69 1.537 -18.576 -5.346 1.00 2.92 H new ATOM 0 HZ3 LYS A 69 1.023 -18.329 -6.946 1.00 2.92 H new ATOM 979 N PRO A 70 0.702 -12.493 -3.401 1.00 0.51 N ATOM 980 CA PRO A 70 -0.318 -11.447 -3.391 1.00 0.39 C ATOM 981 C PRO A 70 -1.346 -11.647 -4.498 1.00 0.32 C ATOM 982 O PRO A 70 -1.107 -12.375 -5.462 1.00 0.40 O ATOM 983 CB PRO A 70 0.472 -10.151 -3.631 1.00 0.40 C ATOM 984 CG PRO A 70 1.911 -10.530 -3.514 1.00 0.53 C ATOM 985 CD PRO A 70 1.989 -11.982 -3.877 1.00 0.59 C ATOM 0 HA PRO A 70 -0.882 -11.443 -2.458 1.00 0.39 H new ATOM 0 HB2 PRO A 70 0.255 -9.736 -4.615 1.00 0.40 H new ATOM 0 HB3 PRO A 70 0.207 -9.389 -2.898 1.00 0.40 H new ATOM 0 HG2 PRO A 70 2.528 -9.928 -4.181 1.00 0.53 H new ATOM 0 HG3 PRO A 70 2.277 -10.361 -2.501 1.00 0.53 H new ATOM 0 HD2 PRO A 70 2.112 -12.127 -4.950 1.00 0.59 H new ATOM 0 HD3 PRO A 70 2.829 -12.478 -3.390 1.00 0.59 H new ATOM 993 N SER A 71 -2.482 -10.989 -4.362 1.00 0.28 N ATOM 994 CA SER A 71 -3.545 -11.094 -5.345 1.00 0.31 C ATOM 995 C SER A 71 -3.613 -9.801 -6.155 1.00 0.28 C ATOM 996 O SER A 71 -4.579 -9.538 -6.872 1.00 0.40 O ATOM 997 CB SER A 71 -4.877 -11.377 -4.641 1.00 0.41 C ATOM 998 OG SER A 71 -5.900 -11.709 -5.562 1.00 1.02 O ATOM 0 H SER A 71 -2.693 -10.373 -3.577 1.00 0.28 H new ATOM 0 HA SER A 71 -3.341 -11.920 -6.027 1.00 0.31 H new ATOM 0 HB2 SER A 71 -4.747 -12.195 -3.932 1.00 0.41 H new ATOM 0 HB3 SER A 71 -5.177 -10.501 -4.065 1.00 0.41 H new ATOM 0 HG SER A 71 -6.733 -11.884 -5.076 1.00 1.02 H new ATOM 1004 N GLY A 72 -2.568 -8.998 -6.020 1.00 0.24 N ATOM 1005 CA GLY A 72 -2.480 -7.745 -6.734 1.00 0.23 C ATOM 1006 C GLY A 72 -1.310 -6.922 -6.246 1.00 0.22 C ATOM 1007 O GLY A 72 -0.847 -7.111 -5.118 1.00 0.26 O ATOM 0 H GLY A 72 -1.769 -9.198 -5.419 1.00 0.24 H new ATOM 0 HA2 GLY A 72 -2.373 -7.938 -7.801 1.00 0.23 H new ATOM 0 HA3 GLY A 72 -3.404 -7.182 -6.603 1.00 0.23 H new ATOM 1011 N GLY A 73 -0.825 -6.022 -7.086 1.00 0.24 N ATOM 1012 CA GLY A 73 0.292 -5.187 -6.706 1.00 0.29 C ATOM 1013 C GLY A 73 0.720 -4.256 -7.820 1.00 0.27 C ATOM 1014 O GLY A 73 0.406 -4.494 -8.989 1.00 0.40 O ATOM 0 H GLY A 73 -1.186 -5.855 -8.025 1.00 0.24 H new ATOM 0 HA2 GLY A 73 0.021 -4.599 -5.829 1.00 0.29 H new ATOM 0 HA3 GLY A 73 1.133 -5.818 -6.420 1.00 0.29 H new ATOM 1018 N PHE A 74 1.429 -3.195 -7.458 1.00 0.20 N ATOM 1019 CA PHE A 74 1.915 -2.221 -8.427 1.00 0.19 C ATOM 1020 C PHE A 74 3.128 -1.479 -7.867 1.00 0.19 C ATOM 1021 O PHE A 74 3.317 -1.419 -6.652 1.00 0.19 O ATOM 1022 CB PHE A 74 0.799 -1.236 -8.816 1.00 0.18 C ATOM 1023 CG PHE A 74 0.379 -0.262 -7.741 1.00 0.17 C ATOM 1024 CD1 PHE A 74 0.138 -0.716 -6.460 1.00 0.20 C ATOM 1025 CD2 PHE A 74 0.239 1.094 -7.998 1.00 0.17 C ATOM 1026 CE1 PHE A 74 -0.231 0.151 -5.455 1.00 0.21 C ATOM 1027 CE2 PHE A 74 -0.135 1.969 -6.992 1.00 0.18 C ATOM 1028 CZ PHE A 74 -0.422 1.567 -5.805 1.00 0.18 C ATOM 0 H PHE A 74 1.682 -2.986 -6.492 1.00 0.20 H new ATOM 0 HA PHE A 74 2.222 -2.751 -9.329 1.00 0.19 H new ATOM 0 HB2 PHE A 74 1.128 -0.668 -9.686 1.00 0.18 H new ATOM 0 HB3 PHE A 74 -0.076 -1.810 -9.122 1.00 0.18 H new ATOM 0 HD1 PHE A 74 0.240 -1.769 -6.242 1.00 0.20 H new ATOM 0 HD2 PHE A 74 0.424 1.471 -8.993 1.00 0.17 H new ATOM 0 HE1 PHE A 74 -0.375 -0.198 -4.443 1.00 0.21 H new ATOM 0 HE2 PHE A 74 -0.187 3.025 -7.212 1.00 0.18 H new ATOM 0 HZ PHE A 74 -0.800 2.263 -5.071 1.00 0.18 H new ATOM 1038 N PRO A 75 3.976 -0.918 -8.747 1.00 0.20 N ATOM 1039 CA PRO A 75 5.198 -0.226 -8.337 1.00 0.20 C ATOM 1040 C PRO A 75 4.920 1.122 -7.681 1.00 0.19 C ATOM 1041 O PRO A 75 4.065 1.892 -8.127 1.00 0.20 O ATOM 1042 CB PRO A 75 5.971 -0.012 -9.643 1.00 0.23 C ATOM 1043 CG PRO A 75 5.222 -0.748 -10.703 1.00 0.25 C ATOM 1044 CD PRO A 75 3.815 -0.908 -10.205 1.00 0.22 C ATOM 0 HA PRO A 75 5.741 -0.809 -7.594 1.00 0.20 H new ATOM 0 HB2 PRO A 75 6.041 1.049 -9.883 1.00 0.23 H new ATOM 0 HB3 PRO A 75 6.991 -0.387 -9.556 1.00 0.23 H new ATOM 0 HG2 PRO A 75 5.239 -0.196 -11.643 1.00 0.25 H new ATOM 0 HG3 PRO A 75 5.677 -1.720 -10.895 1.00 0.25 H new ATOM 0 HD2 PRO A 75 3.176 -0.089 -10.534 1.00 0.22 H new ATOM 0 HD3 PRO A 75 3.362 -1.831 -10.567 1.00 0.22 H new ATOM 1052 N VAL A 76 5.688 1.397 -6.637 1.00 0.19 N ATOM 1053 CA VAL A 76 5.556 2.609 -5.841 1.00 0.18 C ATOM 1054 C VAL A 76 5.841 3.869 -6.652 1.00 0.19 C ATOM 1055 O VAL A 76 5.151 4.880 -6.511 1.00 0.19 O ATOM 1056 CB VAL A 76 6.501 2.544 -4.622 1.00 0.21 C ATOM 1057 CG1 VAL A 76 6.923 3.931 -4.166 1.00 0.30 C ATOM 1058 CG2 VAL A 76 5.832 1.787 -3.490 1.00 0.25 C ATOM 0 H VAL A 76 6.430 0.776 -6.314 1.00 0.19 H new ATOM 0 HA VAL A 76 4.521 2.665 -5.505 1.00 0.18 H new ATOM 0 HB VAL A 76 7.405 2.013 -4.921 1.00 0.21 H new ATOM 0 HG11 VAL A 76 7.587 3.845 -3.306 1.00 0.30 H new ATOM 0 HG12 VAL A 76 7.444 4.438 -4.978 1.00 0.30 H new ATOM 0 HG13 VAL A 76 6.040 4.506 -3.886 1.00 0.30 H new ATOM 0 HG21 VAL A 76 6.504 1.745 -2.633 1.00 0.25 H new ATOM 0 HG22 VAL A 76 4.912 2.297 -3.205 1.00 0.25 H new ATOM 0 HG23 VAL A 76 5.598 0.774 -3.818 1.00 0.25 H new ATOM 1068 N ASP A 77 6.851 3.811 -7.501 1.00 0.21 N ATOM 1069 CA ASP A 77 7.231 4.959 -8.301 1.00 0.24 C ATOM 1070 C ASP A 77 6.228 5.211 -9.423 1.00 0.23 C ATOM 1071 O ASP A 77 6.261 6.253 -10.077 1.00 0.30 O ATOM 1072 CB ASP A 77 8.623 4.756 -8.889 1.00 0.31 C ATOM 1073 CG ASP A 77 9.740 5.114 -7.930 1.00 0.73 C ATOM 1074 OD1 ASP A 77 9.995 6.322 -7.732 1.00 0.77 O ATOM 1075 OD2 ASP A 77 10.386 4.193 -7.393 1.00 1.29 O ATOM 0 H ASP A 77 7.423 2.980 -7.654 1.00 0.21 H new ATOM 0 HA ASP A 77 7.238 5.831 -7.647 1.00 0.24 H new ATOM 0 HB2 ASP A 77 8.733 3.714 -9.191 1.00 0.31 H new ATOM 0 HB3 ASP A 77 8.720 5.361 -9.790 1.00 0.31 H new ATOM 1080 N LYS A 78 5.331 4.255 -9.639 1.00 0.19 N ATOM 1081 CA LYS A 78 4.342 4.361 -10.704 1.00 0.20 C ATOM 1082 C LYS A 78 3.020 4.919 -10.177 1.00 0.17 C ATOM 1083 O LYS A 78 2.101 5.200 -10.948 1.00 0.18 O ATOM 1084 CB LYS A 78 4.118 2.999 -11.375 1.00 0.22 C ATOM 1085 CG LYS A 78 5.109 2.673 -12.494 1.00 0.28 C ATOM 1086 CD LYS A 78 6.558 2.767 -12.037 1.00 0.34 C ATOM 1087 CE LYS A 78 7.533 2.540 -13.183 1.00 0.47 C ATOM 1088 NZ LYS A 78 7.480 1.151 -13.710 1.00 1.54 N ATOM 0 H LYS A 78 5.269 3.398 -9.090 1.00 0.19 H new ATOM 0 HA LYS A 78 4.730 5.056 -11.449 1.00 0.20 H new ATOM 0 HB2 LYS A 78 4.178 2.220 -10.615 1.00 0.22 H new ATOM 0 HB3 LYS A 78 3.107 2.970 -11.782 1.00 0.22 H new ATOM 0 HG2 LYS A 78 4.914 1.667 -12.866 1.00 0.28 H new ATOM 0 HG3 LYS A 78 4.949 3.358 -13.327 1.00 0.28 H new ATOM 0 HD2 LYS A 78 6.737 3.749 -11.598 1.00 0.34 H new ATOM 0 HD3 LYS A 78 6.740 2.030 -11.255 1.00 0.34 H new ATOM 0 HE2 LYS A 78 7.310 3.239 -13.989 1.00 0.47 H new ATOM 0 HE3 LYS A 78 8.545 2.757 -12.843 1.00 0.47 H new ATOM 0 HZ1 LYS A 78 8.209 1.029 -14.442 1.00 1.54 H new ATOM 0 HZ2 LYS A 78 7.652 0.479 -12.935 1.00 1.54 H new ATOM 0 HZ3 LYS A 78 6.542 0.972 -14.122 1.00 1.54 H new ATOM 1102 N ILE A 79 2.921 5.064 -8.861 1.00 0.18 N ATOM 1103 CA ILE A 79 1.755 5.685 -8.249 1.00 0.16 C ATOM 1104 C ILE A 79 1.663 7.143 -8.687 1.00 0.18 C ATOM 1105 O ILE A 79 2.510 7.962 -8.331 1.00 0.26 O ATOM 1106 CB ILE A 79 1.808 5.627 -6.709 1.00 0.17 C ATOM 1107 CG1 ILE A 79 2.126 4.205 -6.234 1.00 0.18 C ATOM 1108 CG2 ILE A 79 0.486 6.104 -6.123 1.00 0.18 C ATOM 1109 CD1 ILE A 79 2.168 4.052 -4.729 1.00 0.19 C ATOM 0 H ILE A 79 3.634 4.760 -8.198 1.00 0.18 H new ATOM 0 HA ILE A 79 0.878 5.128 -8.579 1.00 0.16 H new ATOM 0 HB ILE A 79 2.603 6.287 -6.361 1.00 0.17 H new ATOM 0 HG12 ILE A 79 1.378 3.523 -6.637 1.00 0.18 H new ATOM 0 HG13 ILE A 79 3.088 3.902 -6.646 1.00 0.18 H new ATOM 0 HG21 ILE A 79 0.533 6.059 -5.035 1.00 0.18 H new ATOM 0 HG22 ILE A 79 0.299 7.131 -6.436 1.00 0.18 H new ATOM 0 HG23 ILE A 79 -0.321 5.463 -6.478 1.00 0.18 H new ATOM 0 HD11 ILE A 79 2.399 3.018 -4.475 1.00 0.19 H new ATOM 0 HD12 ILE A 79 2.936 4.707 -4.318 1.00 0.19 H new ATOM 0 HD13 ILE A 79 1.199 4.321 -4.309 1.00 0.19 H new ATOM 1121 N THR A 80 0.637 7.464 -9.460 1.00 0.15 N ATOM 1122 CA THR A 80 0.515 8.789 -10.042 1.00 0.18 C ATOM 1123 C THR A 80 -0.003 9.793 -9.015 1.00 0.21 C ATOM 1124 O THR A 80 0.314 10.981 -9.086 1.00 0.28 O ATOM 1125 CB THR A 80 -0.394 8.777 -11.292 1.00 0.20 C ATOM 1126 OG1 THR A 80 -0.386 10.056 -11.937 1.00 0.27 O ATOM 1127 CG2 THR A 80 -1.824 8.400 -10.945 1.00 0.18 C ATOM 0 H THR A 80 -0.122 6.825 -9.698 1.00 0.15 H new ATOM 0 HA THR A 80 1.512 9.099 -10.355 1.00 0.18 H new ATOM 0 HB THR A 80 0.007 8.024 -11.970 1.00 0.20 H new ATOM 0 HG1 THR A 80 -0.966 10.028 -12.727 1.00 0.27 H new ATOM 0 HG21 THR A 80 -2.431 8.403 -11.850 1.00 0.18 H new ATOM 0 HG22 THR A 80 -1.840 7.405 -10.500 1.00 0.18 H new ATOM 0 HG23 THR A 80 -2.228 9.121 -10.235 1.00 0.18 H new ATOM 1135 N SER A 81 -0.793 9.316 -8.056 1.00 0.18 N ATOM 1136 CA SER A 81 -1.331 10.178 -7.013 1.00 0.21 C ATOM 1137 C SER A 81 -1.723 9.378 -5.774 1.00 0.17 C ATOM 1138 O SER A 81 -2.415 8.364 -5.869 1.00 0.19 O ATOM 1139 CB SER A 81 -2.548 10.954 -7.532 1.00 0.30 C ATOM 1140 OG SER A 81 -2.178 11.897 -8.524 1.00 0.88 O ATOM 0 H SER A 81 -1.073 8.338 -7.982 1.00 0.18 H new ATOM 0 HA SER A 81 -0.547 10.881 -6.733 1.00 0.21 H new ATOM 0 HB2 SER A 81 -3.277 10.256 -7.945 1.00 0.30 H new ATOM 0 HB3 SER A 81 -3.034 11.468 -6.703 1.00 0.30 H new ATOM 0 HG SER A 81 -1.227 11.791 -8.737 1.00 0.88 H new ATOM 1146 N VAL A 82 -1.277 9.852 -4.622 1.00 0.20 N ATOM 1147 CA VAL A 82 -1.667 9.289 -3.345 1.00 0.21 C ATOM 1148 C VAL A 82 -2.402 10.361 -2.548 1.00 0.21 C ATOM 1149 O VAL A 82 -1.811 11.334 -2.079 1.00 0.24 O ATOM 1150 CB VAL A 82 -0.440 8.760 -2.562 1.00 0.27 C ATOM 1151 CG1 VAL A 82 0.639 9.829 -2.446 1.00 1.36 C ATOM 1152 CG2 VAL A 82 -0.848 8.253 -1.185 1.00 1.01 C ATOM 0 H VAL A 82 -0.633 10.640 -4.549 1.00 0.20 H new ATOM 0 HA VAL A 82 -2.325 8.437 -3.512 1.00 0.21 H new ATOM 0 HB VAL A 82 -0.025 7.922 -3.122 1.00 0.27 H new ATOM 0 HG11 VAL A 82 1.488 9.430 -1.892 1.00 1.36 H new ATOM 0 HG12 VAL A 82 0.964 10.128 -3.443 1.00 1.36 H new ATOM 0 HG13 VAL A 82 0.238 10.696 -1.921 1.00 1.36 H new ATOM 0 HG21 VAL A 82 0.032 7.887 -0.656 1.00 1.01 H new ATOM 0 HG22 VAL A 82 -1.300 9.066 -0.617 1.00 1.01 H new ATOM 0 HG23 VAL A 82 -1.568 7.442 -1.294 1.00 1.01 H new ATOM 1162 N LYS A 83 -3.708 10.208 -2.443 1.00 0.21 N ATOM 1163 CA LYS A 83 -4.545 11.256 -1.896 1.00 0.23 C ATOM 1164 C LYS A 83 -5.619 10.685 -0.983 1.00 0.22 C ATOM 1165 O LYS A 83 -5.859 9.476 -0.948 1.00 0.21 O ATOM 1166 CB LYS A 83 -5.198 12.021 -3.053 1.00 0.30 C ATOM 1167 CG LYS A 83 -4.817 11.466 -4.420 1.00 0.80 C ATOM 1168 CD LYS A 83 -6.023 11.285 -5.312 1.00 0.55 C ATOM 1169 CE LYS A 83 -5.738 10.308 -6.439 1.00 1.14 C ATOM 1170 NZ LYS A 83 -6.869 10.205 -7.396 1.00 1.70 N ATOM 0 H LYS A 83 -4.211 9.368 -2.729 1.00 0.21 H new ATOM 0 HA LYS A 83 -3.925 11.927 -1.301 1.00 0.23 H new ATOM 0 HB2 LYS A 83 -6.282 11.984 -2.941 1.00 0.30 H new ATOM 0 HB3 LYS A 83 -4.907 13.070 -2.998 1.00 0.30 H new ATOM 0 HG2 LYS A 83 -4.108 12.140 -4.901 1.00 0.80 H new ATOM 0 HG3 LYS A 83 -4.311 10.509 -4.295 1.00 0.80 H new ATOM 0 HD2 LYS A 83 -6.864 10.924 -4.720 1.00 0.55 H new ATOM 0 HD3 LYS A 83 -6.317 12.248 -5.729 1.00 0.55 H new ATOM 0 HE2 LYS A 83 -4.841 10.624 -6.972 1.00 1.14 H new ATOM 0 HE3 LYS A 83 -5.529 9.324 -6.019 1.00 1.14 H new ATOM 0 HZ1 LYS A 83 -6.878 9.256 -7.822 1.00 1.70 H new ATOM 0 HZ2 LYS A 83 -7.765 10.367 -6.893 1.00 1.70 H new ATOM 0 HZ3 LYS A 83 -6.757 10.919 -8.144 1.00 1.70 H new ATOM 1184 N SER A 84 -6.239 11.558 -0.223 1.00 0.26 N ATOM 1185 CA SER A 84 -7.404 11.199 0.549 1.00 0.26 C ATOM 1186 C SER A 84 -8.626 11.880 -0.065 1.00 0.29 C ATOM 1187 O SER A 84 -8.483 12.887 -0.761 1.00 0.32 O ATOM 1188 CB SER A 84 -7.216 11.595 2.016 1.00 0.30 C ATOM 1189 OG SER A 84 -6.916 12.976 2.143 1.00 0.72 O ATOM 0 H SER A 84 -5.951 12.532 -0.123 1.00 0.26 H new ATOM 0 HA SER A 84 -7.552 10.119 0.525 1.00 0.26 H new ATOM 0 HB2 SER A 84 -8.122 11.365 2.576 1.00 0.30 H new ATOM 0 HB3 SER A 84 -6.412 11.004 2.454 1.00 0.30 H new ATOM 0 HG SER A 84 -6.803 13.200 3.090 1.00 0.72 H new ATOM 1195 N GLN A 85 -9.808 11.305 0.146 1.00 0.30 N ATOM 1196 CA GLN A 85 -11.056 11.843 -0.417 1.00 0.37 C ATOM 1197 C GLN A 85 -11.299 13.294 0.002 1.00 0.44 C ATOM 1198 O GLN A 85 -10.513 13.872 0.749 1.00 0.47 O ATOM 1199 CB GLN A 85 -12.240 11.004 0.051 1.00 0.37 C ATOM 1200 CG GLN A 85 -13.011 10.332 -1.057 1.00 0.41 C ATOM 1201 CD GLN A 85 -12.197 9.263 -1.759 1.00 0.39 C ATOM 1202 OE1 GLN A 85 -11.299 8.626 -1.021 1.00 0.46 O flip ATOM 1203 NE2 GLN A 85 -12.373 9.011 -2.947 1.00 0.34 N flip ATOM 0 H GLN A 85 -9.933 10.461 0.705 1.00 0.30 H new ATOM 0 HA GLN A 85 -10.958 11.806 -1.502 1.00 0.37 H new ATOM 0 HB2 GLN A 85 -11.878 10.240 0.739 1.00 0.37 H new ATOM 0 HB3 GLN A 85 -12.921 11.642 0.614 1.00 0.37 H new ATOM 0 HG2 GLN A 85 -13.917 9.885 -0.647 1.00 0.41 H new ATOM 0 HG3 GLN A 85 -13.326 11.081 -1.783 1.00 0.41 H new ATOM 0 HE21 GLN A 85 -13.075 9.525 -3.479 1.00 0.34 H new ATOM 0 HE22 GLN A 85 -11.817 8.287 -3.403 1.00 0.34 H new ATOM 1212 N ALA A 86 -12.397 13.877 -0.461 1.00 0.52 N ATOM 1213 CA ALA A 86 -12.748 15.230 -0.059 1.00 0.61 C ATOM 1214 C ALA A 86 -13.108 15.265 1.422 1.00 0.67 C ATOM 1215 O ALA A 86 -12.638 16.129 2.164 1.00 0.72 O ATOM 1216 CB ALA A 86 -13.899 15.758 -0.899 1.00 0.71 C ATOM 0 H ALA A 86 -13.053 13.439 -1.108 1.00 0.52 H new ATOM 0 HA ALA A 86 -11.883 15.873 -0.223 1.00 0.61 H new ATOM 0 HB1 ALA A 86 -14.146 16.771 -0.582 1.00 0.71 H new ATOM 0 HB2 ALA A 86 -13.609 15.767 -1.950 1.00 0.71 H new ATOM 0 HB3 ALA A 86 -14.769 15.115 -0.769 1.00 0.71 H new ATOM 1222 N ASP A 87 -13.925 14.308 1.854 1.00 0.71 N ATOM 1223 CA ASP A 87 -14.269 14.193 3.267 1.00 0.80 C ATOM 1224 C ASP A 87 -13.413 13.127 3.928 1.00 0.65 C ATOM 1225 O ASP A 87 -13.138 13.180 5.126 1.00 0.69 O ATOM 1226 CB ASP A 87 -15.742 13.802 3.424 1.00 0.98 C ATOM 1227 CG ASP A 87 -16.021 12.362 3.030 1.00 1.32 C ATOM 1228 OD1 ASP A 87 -15.873 11.466 3.888 1.00 1.59 O ATOM 1229 OD2 ASP A 87 -16.391 12.118 1.857 1.00 1.50 O ATOM 0 H ASP A 87 -14.357 13.607 1.252 1.00 0.71 H new ATOM 0 HA ASP A 87 -14.091 15.158 3.741 1.00 0.80 H new ATOM 0 HB2 ASP A 87 -16.044 13.954 4.460 1.00 0.98 H new ATOM 0 HB3 ASP A 87 -16.355 14.465 2.813 1.00 0.98 H new ATOM 1234 N ASN A 88 -12.982 12.194 3.084 1.00 0.50 N ATOM 1235 CA ASN A 88 -12.118 11.061 3.435 1.00 0.37 C ATOM 1236 C ASN A 88 -12.282 10.559 4.866 1.00 0.39 C ATOM 1237 O ASN A 88 -11.291 10.222 5.518 1.00 0.44 O ATOM 1238 CB ASN A 88 -10.651 11.386 3.142 1.00 0.36 C ATOM 1239 CG ASN A 88 -10.090 12.545 3.960 1.00 0.49 C ATOM 1240 OD1 ASN A 88 -9.491 12.243 5.101 1.00 1.10 O flip ATOM 1241 ND2 ASN A 88 -10.183 13.702 3.556 1.00 1.14 N flip ATOM 0 H ASN A 88 -13.233 12.203 2.095 1.00 0.50 H new ATOM 0 HA ASN A 88 -12.447 10.239 2.799 1.00 0.37 H new ATOM 0 HB2 ASN A 88 -10.049 10.497 3.332 1.00 0.36 H new ATOM 0 HB3 ASN A 88 -10.547 11.621 2.083 1.00 0.36 H new ATOM 0 HD21 ASN A 88 -10.652 13.897 2.671 1.00 1.14 H new ATOM 0 HD22 ASN A 88 -9.791 14.467 4.105 1.00 1.14 H new ATOM 1248 N THR A 89 -13.525 10.465 5.332 1.00 0.43 N ATOM 1249 CA THR A 89 -13.793 10.006 6.687 1.00 0.48 C ATOM 1250 C THR A 89 -13.113 8.665 6.935 1.00 0.43 C ATOM 1251 O THR A 89 -12.177 8.572 7.724 1.00 0.48 O ATOM 1252 CB THR A 89 -15.303 9.872 6.950 1.00 0.58 C ATOM 1253 OG1 THR A 89 -15.970 11.093 6.594 1.00 0.68 O ATOM 1254 CG2 THR A 89 -15.563 9.547 8.415 1.00 0.67 C ATOM 0 H THR A 89 -14.358 10.700 4.792 1.00 0.43 H new ATOM 0 HA THR A 89 -13.391 10.753 7.371 1.00 0.48 H new ATOM 0 HB THR A 89 -15.693 9.058 6.339 1.00 0.58 H new ATOM 0 HG1 THR A 89 -16.055 11.147 5.619 1.00 0.68 H new ATOM 0 HG21 THR A 89 -16.636 9.456 8.583 1.00 0.67 H new ATOM 0 HG22 THR A 89 -15.075 8.607 8.671 1.00 0.67 H new ATOM 0 HG23 THR A 89 -15.165 10.345 9.041 1.00 0.67 H new ATOM 1262 N LYS A 90 -13.601 7.628 6.275 1.00 0.38 N ATOM 1263 CA LYS A 90 -12.931 6.340 6.284 1.00 0.35 C ATOM 1264 C LYS A 90 -12.397 5.994 4.893 1.00 0.29 C ATOM 1265 O LYS A 90 -12.000 4.860 4.637 1.00 0.32 O ATOM 1266 CB LYS A 90 -13.861 5.242 6.805 1.00 0.44 C ATOM 1267 CG LYS A 90 -15.181 5.135 6.062 1.00 0.68 C ATOM 1268 CD LYS A 90 -15.937 3.872 6.451 1.00 0.78 C ATOM 1269 CE LYS A 90 -16.146 3.768 7.955 1.00 1.07 C ATOM 1270 NZ LYS A 90 -17.032 4.843 8.474 1.00 1.47 N ATOM 0 H LYS A 90 -14.460 7.654 5.726 1.00 0.38 H new ATOM 0 HA LYS A 90 -12.081 6.407 6.963 1.00 0.35 H new ATOM 0 HB2 LYS A 90 -13.344 4.285 6.742 1.00 0.44 H new ATOM 0 HB3 LYS A 90 -14.065 5.426 7.860 1.00 0.44 H new ATOM 0 HG2 LYS A 90 -15.794 6.009 6.279 1.00 0.68 H new ATOM 0 HG3 LYS A 90 -14.996 5.134 4.988 1.00 0.68 H new ATOM 0 HD2 LYS A 90 -16.905 3.861 5.950 1.00 0.78 H new ATOM 0 HD3 LYS A 90 -15.387 2.999 6.101 1.00 0.78 H new ATOM 0 HE2 LYS A 90 -16.578 2.796 8.194 1.00 1.07 H new ATOM 0 HE3 LYS A 90 -15.181 3.820 8.459 1.00 1.07 H new ATOM 0 HZ1 LYS A 90 -17.146 4.733 9.502 1.00 1.47 H new ATOM 0 HZ2 LYS A 90 -16.608 5.771 8.270 1.00 1.47 H new ATOM 0 HZ3 LYS A 90 -17.962 4.779 8.014 1.00 1.47 H new ATOM 1284 N VAL A 91 -12.366 6.980 4.004 1.00 0.27 N ATOM 1285 CA VAL A 91 -12.101 6.717 2.590 1.00 0.25 C ATOM 1286 C VAL A 91 -10.745 7.267 2.125 1.00 0.22 C ATOM 1287 O VAL A 91 -10.439 8.442 2.320 1.00 0.31 O ATOM 1288 CB VAL A 91 -13.197 7.343 1.710 1.00 0.29 C ATOM 1289 CG1 VAL A 91 -13.253 6.657 0.353 1.00 0.35 C ATOM 1290 CG2 VAL A 91 -14.552 7.283 2.399 1.00 0.39 C ATOM 0 H VAL A 91 -12.519 7.962 4.232 1.00 0.27 H new ATOM 0 HA VAL A 91 -12.089 5.632 2.484 1.00 0.25 H new ATOM 0 HB VAL A 91 -12.945 8.392 1.554 1.00 0.29 H new ATOM 0 HG11 VAL A 91 -14.034 7.114 -0.254 1.00 0.35 H new ATOM 0 HG12 VAL A 91 -12.292 6.766 -0.150 1.00 0.35 H new ATOM 0 HG13 VAL A 91 -13.473 5.598 0.489 1.00 0.35 H new ATOM 0 HG21 VAL A 91 -15.308 7.732 1.755 1.00 0.39 H new ATOM 0 HG22 VAL A 91 -14.814 6.244 2.596 1.00 0.39 H new ATOM 0 HG23 VAL A 91 -14.506 7.830 3.341 1.00 0.39 H new ATOM 1300 N LEU A 92 -9.952 6.405 1.498 1.00 0.20 N ATOM 1301 CA LEU A 92 -8.688 6.799 0.862 1.00 0.17 C ATOM 1302 C LEU A 92 -8.805 6.667 -0.652 1.00 0.17 C ATOM 1303 O LEU A 92 -9.606 5.879 -1.136 1.00 0.19 O ATOM 1304 CB LEU A 92 -7.531 5.927 1.350 1.00 0.17 C ATOM 1305 CG LEU A 92 -6.755 6.446 2.563 1.00 0.18 C ATOM 1306 CD1 LEU A 92 -7.680 6.728 3.734 1.00 0.22 C ATOM 1307 CD2 LEU A 92 -5.690 5.436 2.959 1.00 0.19 C ATOM 0 H LEU A 92 -10.163 5.411 1.413 1.00 0.20 H new ATOM 0 HA LEU A 92 -8.486 7.835 1.132 1.00 0.17 H new ATOM 0 HB2 LEU A 92 -7.925 4.940 1.593 1.00 0.17 H new ATOM 0 HB3 LEU A 92 -6.830 5.796 0.526 1.00 0.17 H new ATOM 0 HG LEU A 92 -6.277 7.386 2.288 1.00 0.18 H new ATOM 0 HD11 LEU A 92 -7.097 7.095 4.578 1.00 0.22 H new ATOM 0 HD12 LEU A 92 -8.413 7.481 3.445 1.00 0.22 H new ATOM 0 HD13 LEU A 92 -8.195 5.811 4.020 1.00 0.22 H new ATOM 0 HD21 LEU A 92 -5.139 5.808 3.823 1.00 0.19 H new ATOM 0 HD22 LEU A 92 -6.164 4.488 3.212 1.00 0.19 H new ATOM 0 HD23 LEU A 92 -5.002 5.287 2.127 1.00 0.19 H new ATOM 1319 N VAL A 93 -8.045 7.460 -1.399 1.00 0.17 N ATOM 1320 CA VAL A 93 -8.066 7.368 -2.855 1.00 0.18 C ATOM 1321 C VAL A 93 -6.649 7.445 -3.442 1.00 0.17 C ATOM 1322 O VAL A 93 -6.001 8.491 -3.435 1.00 0.19 O ATOM 1323 CB VAL A 93 -8.979 8.462 -3.469 1.00 0.20 C ATOM 1324 CG1 VAL A 93 -8.681 9.826 -2.870 1.00 0.20 C ATOM 1325 CG2 VAL A 93 -8.850 8.505 -4.982 1.00 0.24 C ATOM 0 H VAL A 93 -7.412 8.167 -1.026 1.00 0.17 H new ATOM 0 HA VAL A 93 -8.481 6.395 -3.117 1.00 0.18 H new ATOM 0 HB VAL A 93 -10.009 8.200 -3.225 1.00 0.20 H new ATOM 0 HG11 VAL A 93 -9.336 10.572 -3.320 1.00 0.20 H new ATOM 0 HG12 VAL A 93 -8.851 9.796 -1.794 1.00 0.20 H new ATOM 0 HG13 VAL A 93 -7.642 10.090 -3.066 1.00 0.20 H new ATOM 0 HG21 VAL A 93 -9.502 9.282 -5.381 1.00 0.24 H new ATOM 0 HG22 VAL A 93 -7.817 8.724 -5.253 1.00 0.24 H new ATOM 0 HG23 VAL A 93 -9.138 7.540 -5.399 1.00 0.24 H new ATOM 1335 N ILE A 94 -6.179 6.317 -3.955 1.00 0.16 N ATOM 1336 CA ILE A 94 -4.845 6.222 -4.539 1.00 0.15 C ATOM 1337 C ILE A 94 -4.951 5.807 -6.006 1.00 0.15 C ATOM 1338 O ILE A 94 -5.655 4.856 -6.329 1.00 0.17 O ATOM 1339 CB ILE A 94 -3.960 5.194 -3.776 1.00 0.16 C ATOM 1340 CG1 ILE A 94 -3.440 5.752 -2.435 1.00 0.17 C ATOM 1341 CG2 ILE A 94 -2.793 4.732 -4.639 1.00 0.16 C ATOM 1342 CD1 ILE A 94 -4.510 5.939 -1.382 1.00 0.18 C ATOM 0 H ILE A 94 -6.707 5.445 -3.979 1.00 0.16 H new ATOM 0 HA ILE A 94 -4.376 7.203 -4.460 1.00 0.15 H new ATOM 0 HB ILE A 94 -4.597 4.338 -3.553 1.00 0.16 H new ATOM 0 HG12 ILE A 94 -2.677 5.078 -2.046 1.00 0.17 H new ATOM 0 HG13 ILE A 94 -2.955 6.711 -2.617 1.00 0.17 H new ATOM 0 HG21 ILE A 94 -2.190 4.014 -4.082 1.00 0.16 H new ATOM 0 HG22 ILE A 94 -3.175 4.260 -5.545 1.00 0.16 H new ATOM 0 HG23 ILE A 94 -2.178 5.590 -4.909 1.00 0.16 H new ATOM 0 HD11 ILE A 94 -4.059 6.334 -0.472 1.00 0.18 H new ATOM 0 HD12 ILE A 94 -5.262 6.638 -1.748 1.00 0.18 H new ATOM 0 HD13 ILE A 94 -4.980 4.980 -1.167 1.00 0.18 H new ATOM 1354 N THR A 95 -4.256 6.510 -6.885 1.00 0.14 N ATOM 1355 CA THR A 95 -4.316 6.219 -8.310 1.00 0.13 C ATOM 1356 C THR A 95 -2.917 5.937 -8.858 1.00 0.11 C ATOM 1357 O THR A 95 -1.936 6.546 -8.421 1.00 0.12 O ATOM 1358 CB THR A 95 -4.955 7.391 -9.085 1.00 0.16 C ATOM 1359 OG1 THR A 95 -6.203 7.755 -8.476 1.00 0.20 O ATOM 1360 CG2 THR A 95 -5.201 7.022 -10.541 1.00 0.16 C ATOM 0 H THR A 95 -3.643 7.287 -6.638 1.00 0.14 H new ATOM 0 HA THR A 95 -4.936 5.333 -8.445 1.00 0.13 H new ATOM 0 HB THR A 95 -4.262 8.232 -9.051 1.00 0.16 H new ATOM 0 HG1 THR A 95 -6.921 7.200 -8.845 1.00 0.20 H new ATOM 0 HG21 THR A 95 -5.652 7.868 -11.060 1.00 0.16 H new ATOM 0 HG22 THR A 95 -4.254 6.767 -11.017 1.00 0.16 H new ATOM 0 HG23 THR A 95 -5.874 6.166 -10.591 1.00 0.16 H new ATOM 1368 N VAL A 96 -2.828 5.017 -9.807 1.00 0.11 N ATOM 1369 CA VAL A 96 -1.558 4.638 -10.401 1.00 0.10 C ATOM 1370 C VAL A 96 -1.537 4.933 -11.903 1.00 0.11 C ATOM 1371 O VAL A 96 -2.567 4.847 -12.574 1.00 0.14 O ATOM 1372 CB VAL A 96 -1.265 3.144 -10.149 1.00 0.12 C ATOM 1373 CG1 VAL A 96 -2.491 2.298 -10.421 1.00 0.14 C ATOM 1374 CG2 VAL A 96 -0.100 2.663 -10.991 1.00 0.14 C ATOM 0 H VAL A 96 -3.632 4.515 -10.185 1.00 0.11 H new ATOM 0 HA VAL A 96 -0.779 5.235 -9.926 1.00 0.10 H new ATOM 0 HB VAL A 96 -0.995 3.036 -9.098 1.00 0.12 H new ATOM 0 HG11 VAL A 96 -2.258 1.249 -10.236 1.00 0.14 H new ATOM 0 HG12 VAL A 96 -3.302 2.611 -9.764 1.00 0.14 H new ATOM 0 HG13 VAL A 96 -2.797 2.424 -11.460 1.00 0.14 H new ATOM 0 HG21 VAL A 96 0.082 1.607 -10.791 1.00 0.14 H new ATOM 0 HG22 VAL A 96 -0.334 2.797 -12.047 1.00 0.14 H new ATOM 0 HG23 VAL A 96 0.791 3.238 -10.741 1.00 0.14 H new ATOM 1384 N ASN A 97 -0.362 5.295 -12.418 1.00 0.14 N ATOM 1385 CA ASN A 97 -0.193 5.556 -13.843 1.00 0.23 C ATOM 1386 C ASN A 97 0.912 4.673 -14.415 1.00 0.34 C ATOM 1387 O ASN A 97 1.952 4.502 -13.775 1.00 0.81 O ATOM 1388 CB ASN A 97 0.135 7.031 -14.094 1.00 0.44 C ATOM 1389 CG ASN A 97 0.252 7.362 -15.570 1.00 1.14 C ATOM 1390 OD1 ASN A 97 1.322 7.235 -16.169 1.00 1.45 O ATOM 1391 ND2 ASN A 97 -0.847 7.799 -16.166 1.00 1.87 N ATOM 0 H ASN A 97 0.487 5.414 -11.866 1.00 0.14 H new ATOM 0 HA ASN A 97 -1.132 5.322 -14.344 1.00 0.23 H new ATOM 0 HB2 ASN A 97 -0.641 7.653 -13.647 1.00 0.44 H new ATOM 0 HB3 ASN A 97 1.071 7.281 -13.595 1.00 0.44 H new ATOM 0 HD21 ASN A 97 -0.827 8.044 -17.156 1.00 1.87 H new ATOM 0 HD22 ASN A 97 -1.713 7.890 -15.635 1.00 1.87 H new ATOM 1398 N ASN A 98 0.655 4.134 -15.616 1.00 0.42 N ATOM 1399 CA ASN A 98 1.561 3.235 -16.370 1.00 0.43 C ATOM 1400 C ASN A 98 1.108 1.767 -16.253 1.00 0.38 C ATOM 1401 O ASN A 98 0.834 1.143 -17.278 1.00 0.43 O ATOM 1402 CB ASN A 98 3.052 3.423 -16.030 1.00 0.51 C ATOM 1403 CG ASN A 98 3.964 2.622 -16.944 1.00 0.58 C ATOM 1404 OD1 ASN A 98 4.355 3.094 -18.010 1.00 0.75 O ATOM 1405 ND2 ASN A 98 4.322 1.415 -16.530 1.00 0.57 N ATOM 0 H ASN A 98 -0.218 4.314 -16.112 1.00 0.42 H new ATOM 0 HA ASN A 98 1.480 3.527 -17.417 1.00 0.43 H new ATOM 0 HB2 ASN A 98 3.307 4.480 -16.103 1.00 0.51 H new ATOM 0 HB3 ASN A 98 3.226 3.124 -14.996 1.00 0.51 H new ATOM 0 HD21 ASN A 98 4.943 0.843 -17.102 1.00 0.57 H new ATOM 0 HD22 ASN A 98 3.977 1.058 -15.639 1.00 0.57 H new ATOM 1412 N PRO A 99 1.028 1.164 -15.037 1.00 0.35 N ATOM 1413 CA PRO A 99 0.238 -0.060 -14.837 1.00 0.34 C ATOM 1414 C PRO A 99 -1.222 0.168 -15.212 1.00 0.30 C ATOM 1415 O PRO A 99 -1.624 1.302 -15.486 1.00 0.29 O ATOM 1416 CB PRO A 99 0.368 -0.347 -13.341 1.00 0.36 C ATOM 1417 CG PRO A 99 1.638 0.309 -12.948 1.00 0.40 C ATOM 1418 CD PRO A 99 1.729 1.546 -13.793 1.00 0.38 C ATOM 0 HA PRO A 99 0.587 -0.886 -15.457 1.00 0.34 H new ATOM 0 HB2 PRO A 99 -0.477 0.058 -12.784 1.00 0.36 H new ATOM 0 HB3 PRO A 99 0.397 -1.419 -13.143 1.00 0.36 H new ATOM 0 HG2 PRO A 99 1.639 0.558 -11.887 1.00 0.40 H new ATOM 0 HG3 PRO A 99 2.490 -0.349 -13.122 1.00 0.40 H new ATOM 0 HD2 PRO A 99 1.253 2.399 -13.309 1.00 0.38 H new ATOM 0 HD3 PRO A 99 2.765 1.826 -13.985 1.00 0.38 H new ATOM 1426 N GLN A 100 -2.008 -0.901 -15.225 1.00 0.34 N ATOM 1427 CA GLN A 100 -3.408 -0.810 -15.623 1.00 0.36 C ATOM 1428 C GLN A 100 -4.147 0.155 -14.701 1.00 0.32 C ATOM 1429 O GLN A 100 -4.292 -0.107 -13.503 1.00 0.31 O ATOM 1430 CB GLN A 100 -4.069 -2.187 -15.560 1.00 0.46 C ATOM 1431 CG GLN A 100 -3.353 -3.250 -16.378 1.00 1.17 C ATOM 1432 CD GLN A 100 -4.020 -4.612 -16.282 1.00 1.25 C ATOM 1433 OE1 GLN A 100 -4.656 -4.888 -15.153 1.00 1.54 O flip ATOM 1434 NE2 GLN A 100 -3.961 -5.412 -17.216 1.00 1.87 N flip ATOM 0 H GLN A 100 -1.702 -1.839 -14.965 1.00 0.34 H new ATOM 0 HA GLN A 100 -3.456 -0.441 -16.648 1.00 0.36 H new ATOM 0 HB2 GLN A 100 -4.114 -2.511 -14.520 1.00 0.46 H new ATOM 0 HB3 GLN A 100 -5.097 -2.102 -15.912 1.00 0.46 H new ATOM 0 HG2 GLN A 100 -3.321 -2.939 -17.422 1.00 1.17 H new ATOM 0 HG3 GLN A 100 -2.321 -3.331 -16.037 1.00 1.17 H new ATOM 0 HE21 GLN A 100 -3.462 -5.163 -18.070 1.00 1.87 H new ATOM 0 HE22 GLN A 100 -4.411 -6.324 -17.136 1.00 1.87 H new ATOM 1443 N PRO A 101 -4.607 1.291 -15.262 1.00 0.36 N ATOM 1444 CA PRO A 101 -5.201 2.393 -14.496 1.00 0.35 C ATOM 1445 C PRO A 101 -6.264 1.931 -13.513 1.00 0.32 C ATOM 1446 O PRO A 101 -7.331 1.454 -13.903 1.00 0.39 O ATOM 1447 CB PRO A 101 -5.821 3.280 -15.571 1.00 0.45 C ATOM 1448 CG PRO A 101 -4.999 3.027 -16.783 1.00 0.57 C ATOM 1449 CD PRO A 101 -4.581 1.585 -16.707 1.00 0.46 C ATOM 0 HA PRO A 101 -4.456 2.896 -13.880 1.00 0.35 H new ATOM 0 HB2 PRO A 101 -6.867 3.025 -15.741 1.00 0.45 H new ATOM 0 HB3 PRO A 101 -5.791 4.331 -15.284 1.00 0.45 H new ATOM 0 HG2 PRO A 101 -5.572 3.220 -17.690 1.00 0.57 H new ATOM 0 HG3 PRO A 101 -4.130 3.684 -16.809 1.00 0.57 H new ATOM 0 HD2 PRO A 101 -5.264 0.940 -17.260 1.00 0.46 H new ATOM 0 HD3 PRO A 101 -3.588 1.433 -17.129 1.00 0.46 H new ATOM 1457 N THR A 102 -5.951 2.068 -12.241 1.00 0.26 N ATOM 1458 CA THR A 102 -6.865 1.702 -11.184 1.00 0.25 C ATOM 1459 C THR A 102 -6.717 2.674 -10.021 1.00 0.21 C ATOM 1460 O THR A 102 -5.620 3.174 -9.756 1.00 0.22 O ATOM 1461 CB THR A 102 -6.603 0.264 -10.693 1.00 0.27 C ATOM 1462 OG1 THR A 102 -6.445 -0.621 -11.814 1.00 0.33 O ATOM 1463 CG2 THR A 102 -7.751 -0.229 -9.821 1.00 0.30 C ATOM 0 H THR A 102 -5.058 2.435 -11.913 1.00 0.26 H new ATOM 0 HA THR A 102 -7.880 1.748 -11.579 1.00 0.25 H new ATOM 0 HB THR A 102 -5.688 0.272 -10.101 1.00 0.27 H new ATOM 0 HG1 THR A 102 -5.619 -0.399 -12.292 1.00 0.33 H new ATOM 0 HG21 THR A 102 -7.543 -1.245 -9.487 1.00 0.30 H new ATOM 0 HG22 THR A 102 -7.856 0.424 -8.954 1.00 0.30 H new ATOM 0 HG23 THR A 102 -8.676 -0.218 -10.397 1.00 0.30 H new ATOM 1471 N THR A 103 -7.816 2.947 -9.343 1.00 0.21 N ATOM 1472 CA THR A 103 -7.806 3.841 -8.201 1.00 0.19 C ATOM 1473 C THR A 103 -8.293 3.097 -6.968 1.00 0.20 C ATOM 1474 O THR A 103 -9.472 2.784 -6.842 1.00 0.28 O ATOM 1475 CB THR A 103 -8.690 5.076 -8.455 1.00 0.20 C ATOM 1476 OG1 THR A 103 -8.212 5.799 -9.599 1.00 0.22 O ATOM 1477 CG2 THR A 103 -8.712 5.993 -7.245 1.00 0.22 C ATOM 0 H THR A 103 -8.733 2.559 -9.566 1.00 0.21 H new ATOM 0 HA THR A 103 -6.784 4.185 -8.041 1.00 0.19 H new ATOM 0 HB THR A 103 -9.706 4.728 -8.643 1.00 0.20 H new ATOM 0 HG1 THR A 103 -8.782 6.581 -9.753 1.00 0.22 H new ATOM 0 HG21 THR A 103 -9.344 6.856 -7.454 1.00 0.22 H new ATOM 0 HG22 THR A 103 -9.109 5.452 -6.386 1.00 0.22 H new ATOM 0 HG23 THR A 103 -7.699 6.330 -7.025 1.00 0.22 H new ATOM 1485 N TYR A 104 -7.377 2.819 -6.063 1.00 0.17 N ATOM 1486 CA TYR A 104 -7.666 1.983 -4.915 1.00 0.18 C ATOM 1487 C TYR A 104 -8.156 2.820 -3.746 1.00 0.19 C ATOM 1488 O TYR A 104 -7.478 3.747 -3.302 1.00 0.20 O ATOM 1489 CB TYR A 104 -6.417 1.197 -4.523 1.00 0.19 C ATOM 1490 CG TYR A 104 -5.843 0.402 -5.674 1.00 0.20 C ATOM 1491 CD1 TYR A 104 -6.395 -0.816 -6.040 1.00 0.22 C ATOM 1492 CD2 TYR A 104 -4.761 0.881 -6.402 1.00 0.23 C ATOM 1493 CE1 TYR A 104 -5.882 -1.538 -7.104 1.00 0.26 C ATOM 1494 CE2 TYR A 104 -4.242 0.166 -7.464 1.00 0.25 C ATOM 1495 CZ TYR A 104 -4.806 -1.043 -7.812 1.00 0.26 C ATOM 1496 OH TYR A 104 -4.295 -1.758 -8.872 1.00 0.30 O ATOM 0 H TYR A 104 -6.418 3.163 -6.101 1.00 0.17 H new ATOM 0 HA TYR A 104 -8.458 1.284 -5.182 1.00 0.18 H new ATOM 0 HB2 TYR A 104 -5.660 1.887 -4.150 1.00 0.19 H new ATOM 0 HB3 TYR A 104 -6.661 0.520 -3.705 1.00 0.19 H new ATOM 0 HD1 TYR A 104 -7.237 -1.207 -5.488 1.00 0.22 H new ATOM 0 HD2 TYR A 104 -4.318 1.829 -6.133 1.00 0.23 H new ATOM 0 HE1 TYR A 104 -6.322 -2.485 -7.379 1.00 0.26 H new ATOM 0 HE2 TYR A 104 -3.399 0.552 -8.018 1.00 0.25 H new ATOM 0 HH TYR A 104 -3.540 -1.270 -9.262 1.00 0.30 H new ATOM 1506 N ASN A 105 -9.348 2.500 -3.267 1.00 0.18 N ATOM 1507 CA ASN A 105 -9.903 3.186 -2.112 1.00 0.18 C ATOM 1508 C ASN A 105 -9.748 2.314 -0.886 1.00 0.17 C ATOM 1509 O ASN A 105 -10.464 1.326 -0.723 1.00 0.16 O ATOM 1510 CB ASN A 105 -11.388 3.541 -2.295 1.00 0.20 C ATOM 1511 CG ASN A 105 -11.663 4.513 -3.433 1.00 0.24 C ATOM 1512 OD1 ASN A 105 -10.958 4.362 -4.542 1.00 0.46 O flip ATOM 1513 ND2 ASN A 105 -12.536 5.375 -3.321 1.00 0.26 N flip ATOM 0 H ASN A 105 -9.947 1.773 -3.658 1.00 0.18 H new ATOM 0 HA ASN A 105 -9.353 4.120 -1.994 1.00 0.18 H new ATOM 0 HB2 ASN A 105 -11.950 2.624 -2.472 1.00 0.20 H new ATOM 0 HB3 ASN A 105 -11.764 3.971 -1.367 1.00 0.20 H new ATOM 0 HD21 ASN A 105 -13.059 5.461 -2.450 1.00 0.26 H new ATOM 0 HD22 ASN A 105 -12.736 6.003 -4.100 1.00 0.26 H new ATOM 1520 N PHE A 106 -8.808 2.673 -0.031 1.00 0.18 N ATOM 1521 CA PHE A 106 -8.565 1.911 1.178 1.00 0.17 C ATOM 1522 C PHE A 106 -9.525 2.369 2.267 1.00 0.19 C ATOM 1523 O PHE A 106 -9.436 3.494 2.762 1.00 0.23 O ATOM 1524 CB PHE A 106 -7.112 2.081 1.640 1.00 0.19 C ATOM 1525 CG PHE A 106 -6.094 1.723 0.592 1.00 0.18 C ATOM 1526 CD1 PHE A 106 -5.843 0.401 0.258 1.00 0.21 C ATOM 1527 CD2 PHE A 106 -5.383 2.716 -0.062 1.00 0.31 C ATOM 1528 CE1 PHE A 106 -4.907 0.078 -0.706 1.00 0.21 C ATOM 1529 CE2 PHE A 106 -4.446 2.399 -1.026 1.00 0.34 C ATOM 1530 CZ PHE A 106 -4.208 1.079 -1.349 1.00 0.23 C ATOM 0 H PHE A 106 -8.203 3.485 -0.151 1.00 0.18 H new ATOM 0 HA PHE A 106 -8.733 0.854 0.972 1.00 0.17 H new ATOM 0 HB2 PHE A 106 -6.957 3.116 1.945 1.00 0.19 H new ATOM 0 HB3 PHE A 106 -6.946 1.461 2.521 1.00 0.19 H new ATOM 0 HD1 PHE A 106 -6.386 -0.387 0.758 1.00 0.21 H new ATOM 0 HD2 PHE A 106 -5.564 3.752 0.185 1.00 0.31 H new ATOM 0 HE1 PHE A 106 -4.723 -0.956 -0.956 1.00 0.21 H new ATOM 0 HE2 PHE A 106 -3.900 3.184 -1.527 1.00 0.34 H new ATOM 0 HZ PHE A 106 -3.476 0.830 -2.103 1.00 0.23 H new ATOM 1540 N THR A 107 -10.456 1.498 2.613 1.00 0.17 N ATOM 1541 CA THR A 107 -11.481 1.813 3.589 1.00 0.21 C ATOM 1542 C THR A 107 -11.418 0.837 4.759 1.00 0.20 C ATOM 1543 O THR A 107 -11.250 -0.361 4.563 1.00 0.22 O ATOM 1544 CB THR A 107 -12.873 1.750 2.933 1.00 0.26 C ATOM 1545 OG1 THR A 107 -12.860 2.505 1.715 1.00 0.39 O ATOM 1546 CG2 THR A 107 -13.947 2.295 3.857 1.00 0.35 C ATOM 0 H THR A 107 -10.522 0.556 2.227 1.00 0.17 H new ATOM 0 HA THR A 107 -11.306 2.822 3.962 1.00 0.21 H new ATOM 0 HB THR A 107 -13.104 0.705 2.725 1.00 0.26 H new ATOM 0 HG1 THR A 107 -13.320 3.359 1.855 1.00 0.39 H new ATOM 0 HG21 THR A 107 -14.917 2.236 3.363 1.00 0.35 H new ATOM 0 HG22 THR A 107 -13.971 1.707 4.774 1.00 0.35 H new ATOM 0 HG23 THR A 107 -13.726 3.335 4.098 1.00 0.35 H new ATOM 1554 N PHE A 108 -11.528 1.343 5.975 1.00 0.28 N ATOM 1555 CA PHE A 108 -11.525 0.478 7.142 1.00 0.26 C ATOM 1556 C PHE A 108 -12.521 0.985 8.175 1.00 0.27 C ATOM 1557 O PHE A 108 -13.069 2.078 8.028 1.00 0.33 O ATOM 1558 CB PHE A 108 -10.122 0.389 7.760 1.00 0.29 C ATOM 1559 CG PHE A 108 -9.929 -0.819 8.632 1.00 0.29 C ATOM 1560 CD1 PHE A 108 -9.515 -0.680 9.948 1.00 0.34 C ATOM 1561 CD2 PHE A 108 -10.159 -2.089 8.138 1.00 0.31 C ATOM 1562 CE1 PHE A 108 -9.333 -1.788 10.751 1.00 0.39 C ATOM 1563 CE2 PHE A 108 -9.980 -3.202 8.935 1.00 0.36 C ATOM 1564 CZ PHE A 108 -9.578 -3.051 10.246 1.00 0.38 C ATOM 0 H PHE A 108 -11.620 2.338 6.179 1.00 0.28 H new ATOM 0 HA PHE A 108 -11.820 -0.522 6.823 1.00 0.26 H new ATOM 0 HB2 PHE A 108 -9.381 0.373 6.960 1.00 0.29 H new ATOM 0 HB3 PHE A 108 -9.935 1.287 8.349 1.00 0.29 H new ATOM 0 HD1 PHE A 108 -9.333 0.306 10.349 1.00 0.34 H new ATOM 0 HD2 PHE A 108 -10.483 -2.212 7.115 1.00 0.31 H new ATOM 0 HE1 PHE A 108 -9.000 -1.668 11.771 1.00 0.39 H new ATOM 0 HE2 PHE A 108 -10.154 -4.189 8.533 1.00 0.36 H new ATOM 0 HZ PHE A 108 -9.455 -3.919 10.877 1.00 0.38 H new ATOM 1574 N LYS A 109 -12.736 0.200 9.219 1.00 0.25 N ATOM 1575 CA LYS A 109 -13.641 0.577 10.296 1.00 0.26 C ATOM 1576 C LYS A 109 -13.049 1.746 11.078 1.00 0.27 C ATOM 1577 O LYS A 109 -13.746 2.701 11.423 1.00 0.33 O ATOM 1578 CB LYS A 109 -13.878 -0.639 11.208 1.00 0.30 C ATOM 1579 CG LYS A 109 -14.961 -0.456 12.267 1.00 0.68 C ATOM 1580 CD LYS A 109 -14.453 0.300 13.484 1.00 0.77 C ATOM 1581 CE LYS A 109 -15.517 0.403 14.563 1.00 1.16 C ATOM 1582 NZ LYS A 109 -15.046 1.202 15.723 1.00 1.94 N ATOM 0 H LYS A 109 -12.292 -0.710 9.345 1.00 0.25 H new ATOM 0 HA LYS A 109 -14.600 0.894 9.886 1.00 0.26 H new ATOM 0 HB2 LYS A 109 -14.142 -1.494 10.585 1.00 0.30 H new ATOM 0 HB3 LYS A 109 -12.941 -0.886 11.708 1.00 0.30 H new ATOM 0 HG2 LYS A 109 -15.804 0.082 11.833 1.00 0.68 H new ATOM 0 HG3 LYS A 109 -15.332 -1.433 12.577 1.00 0.68 H new ATOM 0 HD2 LYS A 109 -13.574 -0.205 13.886 1.00 0.77 H new ATOM 0 HD3 LYS A 109 -14.138 1.300 13.186 1.00 0.77 H new ATOM 0 HE2 LYS A 109 -16.415 0.860 14.147 1.00 1.16 H new ATOM 0 HE3 LYS A 109 -15.794 -0.597 14.898 1.00 1.16 H new ATOM 0 HZ1 LYS A 109 -15.798 1.251 16.439 1.00 1.94 H new ATOM 0 HZ2 LYS A 109 -14.204 0.752 16.135 1.00 1.94 H new ATOM 0 HZ3 LYS A 109 -14.805 2.163 15.408 1.00 1.94 H new ATOM 1596 N SER A 110 -11.751 1.666 11.330 1.00 0.28 N ATOM 1597 CA SER A 110 -11.045 2.682 12.092 1.00 0.32 C ATOM 1598 C SER A 110 -10.880 3.965 11.289 1.00 0.41 C ATOM 1599 O SER A 110 -10.319 3.949 10.191 1.00 0.50 O ATOM 1600 CB SER A 110 -9.663 2.166 12.481 1.00 0.36 C ATOM 1601 OG SER A 110 -8.919 3.157 13.172 1.00 1.03 O ATOM 0 H SER A 110 -11.160 0.897 11.013 1.00 0.28 H new ATOM 0 HA SER A 110 -11.635 2.900 12.982 1.00 0.32 H new ATOM 0 HB2 SER A 110 -9.766 1.281 13.109 1.00 0.36 H new ATOM 0 HB3 SER A 110 -9.122 1.860 11.586 1.00 0.36 H new ATOM 0 HG SER A 110 -8.039 2.798 13.410 1.00 1.03 H new ATOM 1607 N PRO A 111 -11.349 5.102 11.824 1.00 0.48 N ATOM 1608 CA PRO A 111 -11.100 6.413 11.229 1.00 0.59 C ATOM 1609 C PRO A 111 -9.639 6.838 11.385 1.00 0.67 C ATOM 1610 O PRO A 111 -9.250 7.927 10.966 1.00 1.09 O ATOM 1611 CB PRO A 111 -12.026 7.363 12.002 1.00 0.73 C ATOM 1612 CG PRO A 111 -12.944 6.483 12.782 1.00 0.77 C ATOM 1613 CD PRO A 111 -12.189 5.208 13.026 1.00 0.56 C ATOM 0 HA PRO A 111 -11.292 6.414 10.156 1.00 0.59 H new ATOM 0 HB2 PRO A 111 -11.455 8.016 12.662 1.00 0.73 H new ATOM 0 HB3 PRO A 111 -12.584 8.006 11.322 1.00 0.73 H new ATOM 0 HG2 PRO A 111 -13.229 6.953 13.723 1.00 0.77 H new ATOM 0 HG3 PRO A 111 -13.864 6.292 12.229 1.00 0.77 H new ATOM 0 HD2 PRO A 111 -11.591 5.258 13.936 1.00 0.56 H new ATOM 0 HD3 PRO A 111 -12.858 4.354 13.131 1.00 0.56 H new ATOM 1621 N GLY A 112 -8.826 5.969 11.971 1.00 0.44 N ATOM 1622 CA GLY A 112 -7.415 6.254 12.109 1.00 0.49 C ATOM 1623 C GLY A 112 -6.554 5.360 11.237 1.00 0.46 C ATOM 1624 O GLY A 112 -5.663 5.842 10.539 1.00 0.63 O ATOM 0 H GLY A 112 -9.121 5.071 12.353 1.00 0.44 H new ATOM 0 HA2 GLY A 112 -7.231 7.296 11.849 1.00 0.49 H new ATOM 0 HA3 GLY A 112 -7.123 6.130 13.152 1.00 0.49 H new ATOM 1628 N GLU A 113 -6.865 4.062 11.242 1.00 0.32 N ATOM 1629 CA GLU A 113 -6.035 3.040 10.596 1.00 0.30 C ATOM 1630 C GLU A 113 -5.682 3.397 9.152 1.00 0.31 C ATOM 1631 O GLU A 113 -4.530 3.270 8.727 1.00 0.34 O ATOM 1632 CB GLU A 113 -6.767 1.695 10.615 1.00 0.28 C ATOM 1633 CG GLU A 113 -5.904 0.525 10.182 1.00 0.32 C ATOM 1634 CD GLU A 113 -4.733 0.301 11.112 1.00 0.70 C ATOM 1635 OE1 GLU A 113 -4.843 -0.542 12.023 1.00 1.14 O ATOM 1636 OE2 GLU A 113 -3.697 0.972 10.935 1.00 0.76 O ATOM 0 H GLU A 113 -7.700 3.688 11.694 1.00 0.32 H new ATOM 0 HA GLU A 113 -5.104 2.980 11.159 1.00 0.30 H new ATOM 0 HB2 GLU A 113 -7.139 1.508 11.622 1.00 0.28 H new ATOM 0 HB3 GLU A 113 -7.637 1.755 9.961 1.00 0.28 H new ATOM 0 HG2 GLU A 113 -6.513 -0.378 10.144 1.00 0.32 H new ATOM 0 HG3 GLU A 113 -5.534 0.703 9.172 1.00 0.32 H new ATOM 1643 N ARG A 114 -6.679 3.851 8.409 1.00 0.35 N ATOM 1644 CA ARG A 114 -6.523 4.086 6.978 1.00 0.43 C ATOM 1645 C ARG A 114 -5.610 5.275 6.719 1.00 0.38 C ATOM 1646 O ARG A 114 -4.710 5.207 5.895 1.00 0.40 O ATOM 1647 CB ARG A 114 -7.872 4.353 6.326 1.00 0.61 C ATOM 1648 CG ARG A 114 -8.999 3.493 6.854 1.00 0.87 C ATOM 1649 CD ARG A 114 -10.251 4.325 7.068 1.00 0.65 C ATOM 1650 NE ARG A 114 -10.002 5.486 7.931 1.00 1.24 N ATOM 1651 CZ ARG A 114 -9.750 6.727 7.482 1.00 2.02 C ATOM 1652 NH1 ARG A 114 -9.735 6.981 6.180 1.00 2.55 N ATOM 1653 NH2 ARG A 114 -9.514 7.713 8.335 1.00 2.83 N ATOM 0 H ARG A 114 -7.608 4.065 8.772 1.00 0.35 H new ATOM 0 HA ARG A 114 -6.080 3.189 6.547 1.00 0.43 H new ATOM 0 HB2 ARG A 114 -8.132 5.402 6.472 1.00 0.61 H new ATOM 0 HB3 ARG A 114 -7.781 4.193 5.252 1.00 0.61 H new ATOM 0 HG2 ARG A 114 -9.208 2.686 6.152 1.00 0.87 H new ATOM 0 HG3 ARG A 114 -8.700 3.028 7.793 1.00 0.87 H new ATOM 0 HD2 ARG A 114 -10.629 4.665 6.104 1.00 0.65 H new ATOM 0 HD3 ARG A 114 -11.027 3.703 7.513 1.00 0.65 H new ATOM 0 HE ARG A 114 -10.022 5.341 8.940 1.00 1.24 H new ATOM 0 HH11 ARG A 114 -9.916 6.232 5.512 1.00 2.55 H new ATOM 0 HH12 ARG A 114 -9.543 7.926 5.847 1.00 2.55 H new ATOM 0 HH21 ARG A 114 -9.523 7.532 9.339 1.00 2.83 H new ATOM 0 HH22 ARG A 114 -9.323 8.653 7.988 1.00 2.83 H new ATOM 1667 N GLU A 115 -5.855 6.369 7.420 1.00 0.42 N ATOM 1668 CA GLU A 115 -5.086 7.586 7.210 1.00 0.48 C ATOM 1669 C GLU A 115 -3.655 7.429 7.704 1.00 0.37 C ATOM 1670 O GLU A 115 -2.728 8.008 7.138 1.00 0.40 O ATOM 1671 CB GLU A 115 -5.778 8.771 7.867 1.00 0.64 C ATOM 1672 CG GLU A 115 -6.956 9.275 7.048 1.00 1.24 C ATOM 1673 CD GLU A 115 -7.645 10.472 7.663 1.00 1.38 C ATOM 1674 OE1 GLU A 115 -7.082 11.584 7.588 1.00 1.49 O ATOM 1675 OE2 GLU A 115 -8.741 10.308 8.232 1.00 1.59 O ATOM 0 H GLU A 115 -6.577 6.441 8.137 1.00 0.42 H new ATOM 0 HA GLU A 115 -5.035 7.777 6.138 1.00 0.48 H new ATOM 0 HB2 GLU A 115 -6.125 8.483 8.859 1.00 0.64 H new ATOM 0 HB3 GLU A 115 -5.060 9.579 8.003 1.00 0.64 H new ATOM 0 HG2 GLU A 115 -6.609 9.538 6.049 1.00 1.24 H new ATOM 0 HG3 GLU A 115 -7.680 8.468 6.931 1.00 1.24 H new ATOM 1682 N SER A 116 -3.479 6.633 8.748 1.00 0.33 N ATOM 1683 CA SER A 116 -2.146 6.245 9.191 1.00 0.36 C ATOM 1684 C SER A 116 -1.410 5.532 8.057 1.00 0.31 C ATOM 1685 O SER A 116 -0.198 5.667 7.904 1.00 0.38 O ATOM 1686 CB SER A 116 -2.238 5.332 10.414 1.00 0.45 C ATOM 1687 OG SER A 116 -3.040 5.922 11.423 1.00 1.15 O ATOM 0 H SER A 116 -4.240 6.243 9.304 1.00 0.33 H new ATOM 0 HA SER A 116 -1.591 7.142 9.468 1.00 0.36 H new ATOM 0 HB2 SER A 116 -2.660 4.370 10.124 1.00 0.45 H new ATOM 0 HB3 SER A 116 -1.239 5.138 10.804 1.00 0.45 H new ATOM 0 HG SER A 116 -3.986 5.827 11.186 1.00 1.15 H new ATOM 1693 N TRP A 117 -2.167 4.780 7.263 1.00 0.25 N ATOM 1694 CA TRP A 117 -1.632 4.102 6.090 1.00 0.24 C ATOM 1695 C TRP A 117 -1.340 5.132 4.994 1.00 0.21 C ATOM 1696 O TRP A 117 -0.280 5.112 4.371 1.00 0.23 O ATOM 1697 CB TRP A 117 -2.655 3.076 5.587 1.00 0.26 C ATOM 1698 CG TRP A 117 -2.072 1.959 4.781 1.00 0.23 C ATOM 1699 CD1 TRP A 117 -1.704 0.738 5.253 1.00 0.23 C ATOM 1700 CD2 TRP A 117 -1.803 1.944 3.373 1.00 0.22 C ATOM 1701 NE1 TRP A 117 -1.224 -0.036 4.231 1.00 0.21 N ATOM 1702 CE2 TRP A 117 -1.269 0.678 3.071 1.00 0.21 C ATOM 1703 CE3 TRP A 117 -1.958 2.870 2.339 1.00 0.25 C ATOM 1704 CZ2 TRP A 117 -0.887 0.314 1.785 1.00 0.22 C ATOM 1705 CZ3 TRP A 117 -1.578 2.508 1.060 1.00 0.26 C ATOM 1706 CH2 TRP A 117 -1.049 1.237 0.792 1.00 0.24 C ATOM 0 H TRP A 117 -3.164 4.625 7.415 1.00 0.25 H new ATOM 0 HA TRP A 117 -0.707 3.588 6.351 1.00 0.24 H new ATOM 0 HB2 TRP A 117 -3.178 2.653 6.445 1.00 0.26 H new ATOM 0 HB3 TRP A 117 -3.401 3.592 4.982 1.00 0.26 H new ATOM 0 HD1 TRP A 117 -1.779 0.425 6.284 1.00 0.23 H new ATOM 0 HE1 TRP A 117 -0.887 -0.994 4.323 1.00 0.21 H new ATOM 0 HE3 TRP A 117 -2.367 3.850 2.535 1.00 0.25 H new ATOM 0 HZ2 TRP A 117 -0.477 -0.664 1.579 1.00 0.22 H new ATOM 0 HZ3 TRP A 117 -1.691 3.217 0.253 1.00 0.26 H new ATOM 0 HH2 TRP A 117 -0.765 0.984 -0.219 1.00 0.24 H new ATOM 1717 N GLN A 118 -2.302 6.038 4.799 1.00 0.20 N ATOM 1718 CA GLN A 118 -2.225 7.101 3.788 1.00 0.19 C ATOM 1719 C GLN A 118 -0.930 7.900 3.888 1.00 0.18 C ATOM 1720 O GLN A 118 -0.244 8.100 2.890 1.00 0.21 O ATOM 1721 CB GLN A 118 -3.433 8.040 3.942 1.00 0.19 C ATOM 1722 CG GLN A 118 -3.353 9.326 3.126 1.00 0.17 C ATOM 1723 CD GLN A 118 -3.292 9.095 1.628 1.00 0.33 C ATOM 1724 OE1 GLN A 118 -3.934 8.041 1.152 1.00 0.74 O flip ATOM 1725 NE2 GLN A 118 -2.682 9.874 0.901 1.00 0.19 N flip ATOM 0 H GLN A 118 -3.165 6.056 5.342 1.00 0.20 H new ATOM 0 HA GLN A 118 -2.238 6.628 2.806 1.00 0.19 H new ATOM 0 HB2 GLN A 118 -4.334 7.499 3.654 1.00 0.19 H new ATOM 0 HB3 GLN A 118 -3.541 8.301 4.995 1.00 0.19 H new ATOM 0 HG2 GLN A 118 -4.221 9.945 3.354 1.00 0.17 H new ATOM 0 HG3 GLN A 118 -2.471 9.887 3.434 1.00 0.17 H new ATOM 0 HE21 GLN A 118 -2.199 10.676 1.305 1.00 0.19 H new ATOM 0 HE22 GLN A 118 -2.659 9.719 -0.107 1.00 0.19 H new ATOM 1734 N GLU A 119 -0.605 8.360 5.083 1.00 0.19 N ATOM 1735 CA GLU A 119 0.590 9.170 5.287 1.00 0.22 C ATOM 1736 C GLU A 119 1.854 8.324 5.160 1.00 0.20 C ATOM 1737 O GLU A 119 2.909 8.813 4.755 1.00 0.26 O ATOM 1738 CB GLU A 119 0.546 9.821 6.665 1.00 0.27 C ATOM 1739 CG GLU A 119 0.475 8.804 7.784 1.00 0.27 C ATOM 1740 CD GLU A 119 0.487 9.426 9.164 1.00 0.39 C ATOM 1741 OE1 GLU A 119 -0.559 9.973 9.572 1.00 0.47 O ATOM 1742 OE2 GLU A 119 1.532 9.381 9.841 1.00 0.47 O ATOM 0 H GLU A 119 -1.149 8.188 5.928 1.00 0.19 H new ATOM 0 HA GLU A 119 0.613 9.942 4.518 1.00 0.22 H new ATOM 0 HB2 GLU A 119 1.432 10.442 6.798 1.00 0.27 H new ATOM 0 HB3 GLU A 119 -0.319 10.482 6.724 1.00 0.27 H new ATOM 0 HG2 GLU A 119 -0.432 8.211 7.669 1.00 0.27 H new ATOM 0 HG3 GLU A 119 1.317 8.118 7.695 1.00 0.27 H new ATOM 1749 N GLN A 120 1.738 7.050 5.497 1.00 0.17 N ATOM 1750 CA GLN A 120 2.884 6.159 5.500 1.00 0.18 C ATOM 1751 C GLN A 120 3.285 5.754 4.094 1.00 0.17 C ATOM 1752 O GLN A 120 4.469 5.783 3.751 1.00 0.18 O ATOM 1753 CB GLN A 120 2.592 4.927 6.348 1.00 0.19 C ATOM 1754 CG GLN A 120 2.863 5.148 7.826 1.00 0.23 C ATOM 1755 CD GLN A 120 4.324 5.443 8.104 1.00 0.27 C ATOM 1756 OE1 GLN A 120 5.196 4.966 7.232 1.00 0.32 O flip ATOM 1757 NE2 GLN A 120 4.664 6.121 9.072 1.00 0.25 N flip ATOM 0 H GLN A 120 0.860 6.610 5.772 1.00 0.17 H new ATOM 0 HA GLN A 120 3.724 6.700 5.936 1.00 0.18 H new ATOM 0 HB2 GLN A 120 1.549 4.639 6.214 1.00 0.19 H new ATOM 0 HB3 GLN A 120 3.200 4.095 5.993 1.00 0.19 H new ATOM 0 HG2 GLN A 120 2.252 5.976 8.185 1.00 0.23 H new ATOM 0 HG3 GLN A 120 2.560 4.263 8.385 1.00 0.23 H new ATOM 0 HE21 GLN A 120 3.960 6.471 9.722 1.00 0.25 H new ATOM 0 HE22 GLN A 120 5.650 6.334 9.225 1.00 0.25 H new ATOM 1766 N ILE A 121 2.305 5.390 3.282 1.00 0.17 N ATOM 1767 CA ILE A 121 2.569 4.979 1.912 1.00 0.18 C ATOM 1768 C ILE A 121 3.238 6.102 1.131 1.00 0.21 C ATOM 1769 O ILE A 121 4.225 5.880 0.436 1.00 0.21 O ATOM 1770 CB ILE A 121 1.276 4.532 1.185 1.00 0.19 C ATOM 1771 CG1 ILE A 121 1.572 4.131 -0.264 1.00 0.19 C ATOM 1772 CG2 ILE A 121 0.222 5.627 1.222 1.00 0.22 C ATOM 1773 CD1 ILE A 121 2.497 2.942 -0.393 1.00 0.19 C ATOM 0 H ILE A 121 1.320 5.371 3.547 1.00 0.17 H new ATOM 0 HA ILE A 121 3.243 4.124 1.959 1.00 0.18 H new ATOM 0 HB ILE A 121 0.886 3.661 1.712 1.00 0.19 H new ATOM 0 HG12 ILE A 121 0.632 3.904 -0.767 1.00 0.19 H new ATOM 0 HG13 ILE A 121 2.014 4.981 -0.783 1.00 0.19 H new ATOM 0 HG21 ILE A 121 -0.675 5.286 0.705 1.00 0.22 H new ATOM 0 HG22 ILE A 121 -0.023 5.861 2.258 1.00 0.22 H new ATOM 0 HG23 ILE A 121 0.608 6.520 0.730 1.00 0.22 H new ATOM 0 HD11 ILE A 121 2.658 2.719 -1.448 1.00 0.19 H new ATOM 0 HD12 ILE A 121 3.452 3.171 0.080 1.00 0.19 H new ATOM 0 HD13 ILE A 121 2.048 2.077 0.096 1.00 0.19 H new ATOM 1785 N GLN A 122 2.728 7.316 1.291 1.00 0.26 N ATOM 1786 CA GLN A 122 3.226 8.447 0.518 1.00 0.33 C ATOM 1787 C GLN A 122 4.637 8.819 0.949 1.00 0.27 C ATOM 1788 O GLN A 122 5.447 9.268 0.139 1.00 0.26 O ATOM 1789 CB GLN A 122 2.281 9.645 0.629 1.00 0.50 C ATOM 1790 CG GLN A 122 1.878 9.986 2.044 1.00 0.75 C ATOM 1791 CD GLN A 122 1.096 11.277 2.137 1.00 0.63 C ATOM 1792 OE1 GLN A 122 -0.215 11.180 2.009 1.00 1.00 O flip ATOM 1793 NE2 GLN A 122 1.667 12.354 2.320 1.00 0.39 N flip ATOM 0 H GLN A 122 1.977 7.542 1.943 1.00 0.26 H new ATOM 0 HA GLN A 122 3.264 8.149 -0.530 1.00 0.33 H new ATOM 0 HB2 GLN A 122 2.761 10.515 0.180 1.00 0.50 H new ATOM 0 HB3 GLN A 122 1.383 9.440 0.047 1.00 0.50 H new ATOM 0 HG2 GLN A 122 1.277 9.173 2.452 1.00 0.75 H new ATOM 0 HG3 GLN A 122 2.772 10.063 2.663 1.00 0.75 H new ATOM 0 HE21 GLN A 122 2.682 12.384 2.414 1.00 0.39 H new ATOM 0 HE22 GLN A 122 1.124 13.216 2.378 1.00 0.39 H new ATOM 1802 N SER A 123 4.937 8.608 2.224 1.00 0.27 N ATOM 1803 CA SER A 123 6.269 8.865 2.738 1.00 0.26 C ATOM 1804 C SER A 123 7.249 7.818 2.212 1.00 0.20 C ATOM 1805 O SER A 123 8.408 8.125 1.936 1.00 0.23 O ATOM 1806 CB SER A 123 6.250 8.882 4.268 1.00 0.30 C ATOM 1807 OG SER A 123 5.364 9.884 4.747 1.00 1.03 O ATOM 0 H SER A 123 4.275 8.260 2.917 1.00 0.27 H new ATOM 0 HA SER A 123 6.601 9.844 2.392 1.00 0.26 H new ATOM 0 HB2 SER A 123 5.941 7.907 4.644 1.00 0.30 H new ATOM 0 HB3 SER A 123 7.255 9.066 4.647 1.00 0.30 H new ATOM 0 HG SER A 123 4.450 9.531 4.764 1.00 1.03 H new ATOM 1813 N LEU A 124 6.771 6.584 2.056 1.00 0.16 N ATOM 1814 CA LEU A 124 7.569 5.526 1.446 1.00 0.13 C ATOM 1815 C LEU A 124 7.810 5.859 -0.017 1.00 0.14 C ATOM 1816 O LEU A 124 8.933 5.752 -0.510 1.00 0.17 O ATOM 1817 CB LEU A 124 6.858 4.163 1.589 1.00 0.13 C ATOM 1818 CG LEU A 124 7.582 2.929 1.004 1.00 0.15 C ATOM 1819 CD1 LEU A 124 7.327 2.790 -0.488 1.00 0.18 C ATOM 1820 CD2 LEU A 124 9.080 2.992 1.266 1.00 0.18 C ATOM 0 H LEU A 124 5.836 6.294 2.344 1.00 0.16 H new ATOM 0 HA LEU A 124 8.529 5.456 1.957 1.00 0.13 H new ATOM 0 HB2 LEU A 124 6.683 3.982 2.650 1.00 0.13 H new ATOM 0 HB3 LEU A 124 5.880 4.239 1.113 1.00 0.13 H new ATOM 0 HG LEU A 124 7.175 2.053 1.509 1.00 0.15 H new ATOM 0 HD11 LEU A 124 7.851 1.912 -0.866 1.00 0.18 H new ATOM 0 HD12 LEU A 124 6.257 2.679 -0.665 1.00 0.18 H new ATOM 0 HD13 LEU A 124 7.690 3.679 -1.004 1.00 0.18 H new ATOM 0 HD21 LEU A 124 9.561 2.110 0.842 1.00 0.18 H new ATOM 0 HD22 LEU A 124 9.493 3.888 0.803 1.00 0.18 H new ATOM 0 HD23 LEU A 124 9.260 3.023 2.341 1.00 0.18 H new ATOM 1832 N MET A 125 6.749 6.281 -0.696 1.00 0.15 N ATOM 1833 CA MET A 125 6.832 6.628 -2.105 1.00 0.18 C ATOM 1834 C MET A 125 7.920 7.652 -2.341 1.00 0.20 C ATOM 1835 O MET A 125 8.839 7.408 -3.099 1.00 0.24 O ATOM 1836 CB MET A 125 5.501 7.200 -2.586 1.00 0.21 C ATOM 1837 CG MET A 125 4.364 6.198 -2.588 1.00 0.21 C ATOM 1838 SD MET A 125 2.757 6.990 -2.766 1.00 0.26 S ATOM 1839 CE MET A 125 3.094 8.100 -4.128 1.00 0.25 C ATOM 0 H MET A 125 5.820 6.390 -0.290 1.00 0.15 H new ATOM 0 HA MET A 125 7.066 5.720 -2.661 1.00 0.18 H new ATOM 0 HB2 MET A 125 5.228 8.042 -1.950 1.00 0.21 H new ATOM 0 HB3 MET A 125 5.629 7.591 -3.595 1.00 0.21 H new ATOM 0 HG2 MET A 125 4.509 5.488 -3.403 1.00 0.21 H new ATOM 0 HG3 MET A 125 4.384 5.627 -1.660 1.00 0.21 H new ATOM 0 HE1 MET A 125 2.157 8.384 -4.606 1.00 0.25 H new ATOM 0 HE2 MET A 125 3.596 8.992 -3.754 1.00 0.25 H new ATOM 0 HE3 MET A 125 3.735 7.600 -4.855 1.00 0.25 H new ATOM 1849 N LYS A 126 7.861 8.752 -1.617 1.00 0.20 N ATOM 1850 CA LYS A 126 8.801 9.846 -1.819 1.00 0.26 C ATOM 1851 C LYS A 126 10.187 9.474 -1.327 1.00 0.29 C ATOM 1852 O LYS A 126 11.174 9.957 -1.849 1.00 0.41 O ATOM 1853 CB LYS A 126 8.302 11.099 -1.104 1.00 0.31 C ATOM 1854 CG LYS A 126 6.893 11.503 -1.510 1.00 0.32 C ATOM 1855 CD LYS A 126 6.813 11.902 -2.974 1.00 0.46 C ATOM 1856 CE LYS A 126 5.373 12.124 -3.405 1.00 0.60 C ATOM 1857 NZ LYS A 126 5.277 12.579 -4.817 1.00 1.34 N ATOM 0 H LYS A 126 7.173 8.916 -0.882 1.00 0.20 H new ATOM 0 HA LYS A 126 8.868 10.047 -2.888 1.00 0.26 H new ATOM 0 HB2 LYS A 126 8.328 10.929 -0.028 1.00 0.31 H new ATOM 0 HB3 LYS A 126 8.983 11.924 -1.313 1.00 0.31 H new ATOM 0 HG2 LYS A 126 6.210 10.674 -1.323 1.00 0.32 H new ATOM 0 HG3 LYS A 126 6.562 12.335 -0.889 1.00 0.32 H new ATOM 0 HD2 LYS A 126 7.389 12.813 -3.137 1.00 0.46 H new ATOM 0 HD3 LYS A 126 7.264 11.125 -3.591 1.00 0.46 H new ATOM 0 HE2 LYS A 126 4.812 11.198 -3.284 1.00 0.60 H new ATOM 0 HE3 LYS A 126 4.910 12.865 -2.753 1.00 0.60 H new ATOM 0 HZ1 LYS A 126 4.278 12.718 -5.070 1.00 1.34 H new ATOM 0 HZ2 LYS A 126 5.791 13.476 -4.928 1.00 1.34 H new ATOM 0 HZ3 LYS A 126 5.695 11.861 -5.442 1.00 1.34 H new ATOM 1871 N PHE A 127 10.260 8.598 -0.347 1.00 0.25 N ATOM 1872 CA PHE A 127 11.544 8.144 0.167 1.00 0.30 C ATOM 1873 C PHE A 127 12.414 7.582 -0.961 1.00 0.35 C ATOM 1874 O PHE A 127 13.617 7.838 -1.019 1.00 0.43 O ATOM 1875 CB PHE A 127 11.313 7.088 1.243 1.00 0.28 C ATOM 1876 CG PHE A 127 12.573 6.486 1.798 1.00 0.33 C ATOM 1877 CD1 PHE A 127 12.871 5.152 1.574 1.00 0.39 C ATOM 1878 CD2 PHE A 127 13.459 7.251 2.542 1.00 0.41 C ATOM 1879 CE1 PHE A 127 14.027 4.593 2.079 1.00 0.45 C ATOM 1880 CE2 PHE A 127 14.618 6.696 3.049 1.00 0.47 C ATOM 1881 CZ PHE A 127 14.902 5.365 2.818 1.00 0.47 C ATOM 0 H PHE A 127 9.449 8.184 0.112 1.00 0.25 H new ATOM 0 HA PHE A 127 12.072 8.992 0.603 1.00 0.30 H new ATOM 0 HB2 PHE A 127 10.748 7.536 2.060 1.00 0.28 H new ATOM 0 HB3 PHE A 127 10.696 6.291 0.827 1.00 0.28 H new ATOM 0 HD1 PHE A 127 12.191 4.543 0.998 1.00 0.39 H new ATOM 0 HD2 PHE A 127 13.240 8.292 2.727 1.00 0.41 H new ATOM 0 HE1 PHE A 127 14.248 3.552 1.896 1.00 0.45 H new ATOM 0 HE2 PHE A 127 15.301 7.303 3.625 1.00 0.47 H new ATOM 0 HZ PHE A 127 15.807 4.928 3.214 1.00 0.47 H new ATOM 1891 N MET A 128 11.795 6.838 -1.866 1.00 0.36 N ATOM 1892 CA MET A 128 12.515 6.268 -2.996 1.00 0.46 C ATOM 1893 C MET A 128 12.237 7.043 -4.286 1.00 0.47 C ATOM 1894 O MET A 128 13.007 6.967 -5.241 1.00 0.57 O ATOM 1895 CB MET A 128 12.167 4.789 -3.172 1.00 0.54 C ATOM 1896 CG MET A 128 10.681 4.483 -3.113 1.00 0.53 C ATOM 1897 SD MET A 128 10.304 2.816 -3.684 1.00 1.04 S ATOM 1898 CE MET A 128 11.382 1.856 -2.626 1.00 1.63 C ATOM 0 H MET A 128 10.800 6.615 -1.841 1.00 0.36 H new ATOM 0 HA MET A 128 13.581 6.349 -2.781 1.00 0.46 H new ATOM 0 HB2 MET A 128 12.558 4.448 -4.131 1.00 0.54 H new ATOM 0 HB3 MET A 128 12.675 4.214 -2.398 1.00 0.54 H new ATOM 0 HG2 MET A 128 10.328 4.603 -2.089 1.00 0.53 H new ATOM 0 HG3 MET A 128 10.139 5.205 -3.723 1.00 0.53 H new ATOM 0 HE1 MET A 128 11.281 0.798 -2.867 1.00 1.63 H new ATOM 0 HE2 MET A 128 12.415 2.166 -2.782 1.00 1.63 H new ATOM 0 HE3 MET A 128 11.108 2.018 -1.584 1.00 1.63 H new ATOM 1908 N SER A 129 11.138 7.787 -4.313 1.00 0.46 N ATOM 1909 CA SER A 129 10.786 8.586 -5.477 1.00 0.56 C ATOM 1910 C SER A 129 11.530 9.912 -5.506 1.00 0.62 C ATOM 1911 O SER A 129 11.664 10.530 -6.563 1.00 0.91 O ATOM 1912 CB SER A 129 9.283 8.814 -5.543 1.00 0.75 C ATOM 1913 OG SER A 129 8.607 7.623 -5.917 1.00 1.11 O ATOM 0 H SER A 129 10.475 7.853 -3.540 1.00 0.46 H new ATOM 0 HA SER A 129 11.092 8.022 -6.358 1.00 0.56 H new ATOM 0 HB2 SER A 129 8.920 9.154 -4.573 1.00 0.75 H new ATOM 0 HB3 SER A 129 9.062 9.604 -6.261 1.00 0.75 H new ATOM 0 HG SER A 129 9.055 7.222 -6.691 1.00 1.11 H new ATOM 1919 N MET A 130 12.004 10.351 -4.351 1.00 0.61 N ATOM 1920 CA MET A 130 12.826 11.548 -4.273 1.00 0.70 C ATOM 1921 C MET A 130 14.180 11.277 -4.914 1.00 0.96 C ATOM 1922 O MET A 130 15.066 10.689 -4.294 1.00 1.30 O ATOM 1923 CB MET A 130 13.007 12.007 -2.821 1.00 0.85 C ATOM 1924 CG MET A 130 11.811 12.764 -2.267 1.00 2.09 C ATOM 1925 SD MET A 130 12.005 13.192 -0.524 1.00 3.01 S ATOM 1926 CE MET A 130 10.495 14.106 -0.221 1.00 3.86 C ATOM 0 H MET A 130 11.834 9.896 -3.454 1.00 0.61 H new ATOM 0 HA MET A 130 12.321 12.350 -4.812 1.00 0.70 H new ATOM 0 HB2 MET A 130 13.196 11.135 -2.194 1.00 0.85 H new ATOM 0 HB3 MET A 130 13.890 12.643 -2.757 1.00 0.85 H new ATOM 0 HG2 MET A 130 11.663 13.675 -2.846 1.00 2.09 H new ATOM 0 HG3 MET A 130 10.913 12.158 -2.391 1.00 2.09 H new ATOM 0 HE1 MET A 130 10.710 14.963 0.417 1.00 3.86 H new ATOM 0 HE2 MET A 130 10.084 14.454 -1.169 1.00 3.86 H new ATOM 0 HE3 MET A 130 9.771 13.458 0.273 1.00 3.86 H new ATOM 1936 N LYS A 131 14.322 11.685 -6.165 1.00 1.29 N ATOM 1937 CA LYS A 131 15.523 11.400 -6.932 1.00 1.78 C ATOM 1938 C LYS A 131 16.685 12.248 -6.436 1.00 2.07 C ATOM 1939 O LYS A 131 17.608 11.685 -5.815 1.00 2.37 O ATOM 1940 CB LYS A 131 15.280 11.653 -8.422 1.00 2.34 C ATOM 1941 CG LYS A 131 14.026 10.978 -8.965 1.00 2.54 C ATOM 1942 CD LYS A 131 14.062 9.465 -8.791 1.00 3.36 C ATOM 1943 CE LYS A 131 15.144 8.824 -9.643 1.00 3.86 C ATOM 1944 NZ LYS A 131 15.131 7.343 -9.525 1.00 4.40 N ATOM 1945 OXT LYS A 131 16.655 13.482 -6.642 1.00 2.62 O ATOM 0 H LYS A 131 13.616 12.218 -6.673 1.00 1.29 H new ATOM 0 HA LYS A 131 15.776 10.349 -6.795 1.00 1.78 H new ATOM 0 HB2 LYS A 131 15.205 12.727 -8.591 1.00 2.34 H new ATOM 0 HB3 LYS A 131 16.144 11.301 -8.986 1.00 2.34 H new ATOM 0 HG2 LYS A 131 13.150 11.379 -8.455 1.00 2.54 H new ATOM 0 HG3 LYS A 131 13.916 11.217 -10.023 1.00 2.54 H new ATOM 0 HD2 LYS A 131 14.235 9.224 -7.742 1.00 3.36 H new ATOM 0 HD3 LYS A 131 13.092 9.045 -9.059 1.00 3.36 H new ATOM 0 HE2 LYS A 131 15.001 9.107 -10.686 1.00 3.86 H new ATOM 0 HE3 LYS A 131 16.119 9.205 -9.340 1.00 3.86 H new ATOM 0 HZ1 LYS A 131 15.883 6.941 -10.120 1.00 4.40 H new ATOM 0 HZ2 LYS A 131 15.292 7.072 -8.534 1.00 4.40 H new ATOM 0 HZ3 LYS A 131 14.209 6.978 -9.838 1.00 4.40 H new TER 1959 LYS A 131