USER MOD reduce.3.24.130724 H: found=0, std=0, add=992, rem=0, adj=43 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 83 LYS NZ :NH3+ 142:sc= 0.0106 (180deg=0) USER MOD Set 1.2: A 95 THR OG1 : rot -79:sc= 0.00596 USER MOD Set 1.3: A 103 THR OG1 : rot 180:sc= 0.0466 USER MOD Set 2.1: A 84 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 88 ASN : amide:sc= 0.29 K(o=0.29,f=-0.97) USER MOD Set 3.1: A 29 LYS NZ :NH3+ -161:sc= 1.68 (180deg=0.405) USER MOD Set 3.2: A 116 SER OG : rot 170:sc= 0.551 USER MOD Set 4.1: A 28 THR OG1 : rot 92:sc= 2.28 USER MOD Set 4.2: A 45 THR OG1 : rot 103:sc= 1.26 USER MOD Single : A 11 SER OG : rot -168:sc= 1.36 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 160:sc= -0.134 (180deg=-0.619) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 171:sc= -0.0121 (180deg=-0.11) USER MOD Single : A 21 MET CE :methyl -161:sc= 0 (180deg=-0.16) USER MOD Single : A 22 GLN :FLIP amide:sc= -2.74! C(o=-3.8!,f=-2.7!) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 160:sc= -0.0968 (180deg=-0.502) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 168:sc= 1.48 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 39 SER OG : rot 44:sc= 0.223 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 CYS SG : rot 64:sc= -2.95 USER MOD Single : A 47 SER OG : rot 180:sc= -0.0355 USER MOD Single : A 48 LYS NZ :NH3+ 159:sc= -0.149 (180deg=-0.609) USER MOD Single : A 54 GLN : amide:sc= -0.589! X(o=-0.59!,f=-0.33) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot -110:sc= -0.871 USER MOD Single : A 65 GLN : amide:sc= -0.0772 X(o=-0.077,f=-0.077) USER MOD Single : A 68 LYS NZ :NH3+ 165:sc= -0.0354 (180deg=-0.251) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot -49:sc= 0.201 USER MOD Single : A 78 LYS NZ :NH3+ -172:sc=-0.00219 (180deg=-0.0648) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot -20:sc= 0.657 USER MOD Single : A 85 GLN : amide:sc= -3.24 X(o=-3.2,f=-3.4!) USER MOD Single : A 89 THR OG1 : rot 4:sc= 1.26 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=-0.008) USER MOD Single : A 98 ASN : amide:sc= -0.0285 X(o=-0.029,f=0) USER MOD Single : A 100 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 102 THR OG1 : rot 64:sc= 1.02 USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 ASN :FLIP amide:sc= -0.19 F(o=-2.8!,f=-0.19) USER MOD Single : A 107 THR OG1 : rot -104:sc= -2.64! USER MOD Single : A 109 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0485) USER MOD Single : A 110 SER OG : rot 180:sc= 0.431 USER MOD Single : A 118 GLN : amide:sc= -3.26 X(o=-3.3,f=-2.9!) USER MOD Single : A 120 GLN :FLIP amide:sc= -0.269 F(o=-2.2!,f=-0.27) USER MOD Single : A 122 GLN : amide:sc= -1.04! X(o=-1!,f=-0.67) USER MOD Single : A 123 SER OG : rot 74:sc= 0.0862 USER MOD Single : A 125 MET CE :methyl 159:sc= -0.146 (180deg=-1.72) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 MET CE :methyl -150:sc= -0.333 (180deg=-2.33!) USER MOD Single : A 129 SER OG : rot 76:sc= 1.29 USER MOD Single : A 130 MET CE :methyl -158:sc= 0 (180deg=-0.651) USER MOD Single : A 131 LYS NZ :NH3+ 169:sc=-0.000217 (180deg=-0.0985) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 11 24.935 2.735 1.600 1.00 1.07 N ATOM 2 CA SER A 11 24.450 2.183 0.320 1.00 1.09 C ATOM 3 C SER A 11 22.982 2.537 0.129 1.00 0.93 C ATOM 4 O SER A 11 22.138 2.201 0.959 1.00 0.81 O ATOM 5 CB SER A 11 24.648 0.661 0.305 1.00 1.17 C ATOM 6 OG SER A 11 23.926 0.045 -0.752 1.00 1.81 O ATOM 0 HA SER A 11 25.020 2.616 -0.503 1.00 1.09 H new ATOM 0 HB2 SER A 11 25.709 0.434 0.201 1.00 1.17 H new ATOM 0 HB3 SER A 11 24.324 0.243 1.258 1.00 1.17 H new ATOM 0 HG SER A 11 23.917 -0.926 -0.620 1.00 1.81 H new ATOM 14 N ALA A 12 22.696 3.225 -0.976 1.00 0.96 N ATOM 15 CA ALA A 12 21.353 3.709 -1.276 1.00 0.88 C ATOM 16 C ALA A 12 20.358 2.566 -1.378 1.00 0.77 C ATOM 17 O ALA A 12 19.232 2.665 -0.894 1.00 0.67 O ATOM 18 CB ALA A 12 21.361 4.500 -2.573 1.00 0.97 C ATOM 0 H ALA A 12 23.389 3.461 -1.686 1.00 0.96 H new ATOM 0 HA ALA A 12 21.042 4.356 -0.455 1.00 0.88 H new ATOM 0 HB1 ALA A 12 20.354 4.857 -2.788 1.00 0.97 H new ATOM 0 HB2 ALA A 12 22.034 5.351 -2.476 1.00 0.97 H new ATOM 0 HB3 ALA A 12 21.701 3.860 -3.387 1.00 0.97 H new ATOM 24 N SER A 13 20.771 1.491 -2.029 1.00 0.87 N ATOM 25 CA SER A 13 19.938 0.328 -2.187 1.00 0.84 C ATOM 26 C SER A 13 19.736 -0.386 -0.851 1.00 0.73 C ATOM 27 O SER A 13 18.610 -0.717 -0.479 1.00 0.63 O ATOM 28 CB SER A 13 20.594 -0.593 -3.208 1.00 1.03 C ATOM 29 OG SER A 13 20.742 0.062 -4.460 1.00 1.64 O ATOM 0 H SER A 13 21.692 1.408 -2.459 1.00 0.87 H new ATOM 0 HA SER A 13 18.950 0.625 -2.540 1.00 0.84 H new ATOM 0 HB2 SER A 13 21.570 -0.912 -2.842 1.00 1.03 H new ATOM 0 HB3 SER A 13 19.991 -1.493 -3.333 1.00 1.03 H new ATOM 0 HG SER A 13 21.167 -0.547 -5.100 1.00 1.64 H new ATOM 35 N ASP A 14 20.826 -0.581 -0.116 1.00 0.79 N ATOM 36 CA ASP A 14 20.777 -1.300 1.157 1.00 0.78 C ATOM 37 C ASP A 14 19.982 -0.535 2.204 1.00 0.63 C ATOM 38 O ASP A 14 19.133 -1.111 2.888 1.00 0.59 O ATOM 39 CB ASP A 14 22.188 -1.569 1.677 1.00 0.93 C ATOM 40 CG ASP A 14 22.849 -2.735 0.976 1.00 1.74 C ATOM 41 OD1 ASP A 14 22.674 -3.884 1.435 1.00 1.88 O ATOM 42 OD2 ASP A 14 23.553 -2.512 -0.031 1.00 2.69 O ATOM 0 H ASP A 14 21.755 -0.252 -0.378 1.00 0.79 H new ATOM 0 HA ASP A 14 20.273 -2.249 0.973 1.00 0.78 H new ATOM 0 HB2 ASP A 14 22.798 -0.675 1.544 1.00 0.93 H new ATOM 0 HB3 ASP A 14 22.146 -1.769 2.748 1.00 0.93 H new ATOM 47 N ILE A 15 20.247 0.762 2.329 1.00 0.59 N ATOM 48 CA ILE A 15 19.549 1.579 3.309 1.00 0.50 C ATOM 49 C ILE A 15 18.057 1.620 2.994 1.00 0.39 C ATOM 50 O ILE A 15 17.222 1.635 3.895 1.00 0.35 O ATOM 51 CB ILE A 15 20.110 3.021 3.418 1.00 0.52 C ATOM 52 CG1 ILE A 15 19.607 3.669 4.706 1.00 0.50 C ATOM 53 CG2 ILE A 15 19.724 3.872 2.217 1.00 0.53 C ATOM 54 CD1 ILE A 15 20.297 3.157 5.952 1.00 0.58 C ATOM 0 H ILE A 15 20.935 1.264 1.768 1.00 0.59 H new ATOM 0 HA ILE A 15 19.712 1.107 4.278 1.00 0.50 H new ATOM 0 HB ILE A 15 21.198 2.959 3.436 1.00 0.52 H new ATOM 0 HG12 ILE A 15 19.749 4.748 4.640 1.00 0.50 H new ATOM 0 HG13 ILE A 15 18.535 3.494 4.796 1.00 0.50 H new ATOM 0 HG21 ILE A 15 20.137 4.874 2.333 1.00 0.53 H new ATOM 0 HG22 ILE A 15 20.120 3.420 1.308 1.00 0.53 H new ATOM 0 HG23 ILE A 15 18.638 3.933 2.148 1.00 0.53 H new ATOM 0 HD11 ILE A 15 19.889 3.662 6.828 1.00 0.58 H new ATOM 0 HD12 ILE A 15 20.134 2.083 6.043 1.00 0.58 H new ATOM 0 HD13 ILE A 15 21.366 3.357 5.884 1.00 0.58 H new ATOM 66 N ARG A 16 17.726 1.636 1.712 1.00 0.40 N ATOM 67 CA ARG A 16 16.343 1.620 1.297 1.00 0.34 C ATOM 68 C ARG A 16 15.683 0.325 1.720 1.00 0.29 C ATOM 69 O ARG A 16 14.619 0.347 2.316 1.00 0.24 O ATOM 70 CB ARG A 16 16.250 1.799 -0.222 1.00 0.41 C ATOM 71 CG ARG A 16 14.898 1.437 -0.815 1.00 0.40 C ATOM 72 CD ARG A 16 14.960 1.389 -2.330 1.00 0.51 C ATOM 73 NE ARG A 16 15.200 2.706 -2.921 1.00 1.04 N ATOM 74 CZ ARG A 16 14.818 3.052 -4.154 1.00 1.14 C ATOM 75 NH1 ARG A 16 14.104 2.219 -4.902 1.00 0.97 N ATOM 76 NH2 ARG A 16 15.128 4.252 -4.633 1.00 1.88 N ATOM 0 H ARG A 16 18.399 1.660 0.946 1.00 0.40 H new ATOM 0 HA ARG A 16 15.820 2.446 1.779 1.00 0.34 H new ATOM 0 HB2 ARG A 16 16.475 2.837 -0.468 1.00 0.41 H new ATOM 0 HB3 ARG A 16 17.017 1.186 -0.696 1.00 0.41 H new ATOM 0 HG2 ARG A 16 14.576 0.469 -0.430 1.00 0.40 H new ATOM 0 HG3 ARG A 16 14.153 2.168 -0.502 1.00 0.40 H new ATOM 0 HD2 ARG A 16 15.752 0.706 -2.637 1.00 0.51 H new ATOM 0 HD3 ARG A 16 14.024 0.986 -2.717 1.00 0.51 H new ATOM 0 HE ARG A 16 15.688 3.402 -2.358 1.00 1.04 H new ATOM 0 HH11 ARG A 16 13.841 1.304 -4.537 1.00 0.97 H new ATOM 0 HH12 ARG A 16 13.818 2.495 -5.842 1.00 0.97 H new ATOM 0 HH21 ARG A 16 15.657 4.909 -4.060 1.00 1.88 H new ATOM 0 HH22 ARG A 16 14.837 4.516 -5.574 1.00 1.88 H new ATOM 90 N MET A 17 16.332 -0.796 1.442 1.00 0.34 N ATOM 91 CA MET A 17 15.773 -2.099 1.778 1.00 0.35 C ATOM 92 C MET A 17 15.447 -2.196 3.266 1.00 0.31 C ATOM 93 O MET A 17 14.426 -2.768 3.648 1.00 0.31 O ATOM 94 CB MET A 17 16.733 -3.219 1.381 1.00 0.43 C ATOM 95 CG MET A 17 16.932 -3.347 -0.119 1.00 0.50 C ATOM 96 SD MET A 17 18.089 -4.656 -0.560 1.00 0.63 S ATOM 97 CE MET A 17 17.220 -6.098 0.053 1.00 1.78 C ATOM 0 H MET A 17 17.244 -0.831 0.986 1.00 0.34 H new ATOM 0 HA MET A 17 14.846 -2.212 1.216 1.00 0.35 H new ATOM 0 HB2 MET A 17 17.699 -3.042 1.853 1.00 0.43 H new ATOM 0 HB3 MET A 17 16.356 -4.164 1.771 1.00 0.43 H new ATOM 0 HG2 MET A 17 15.970 -3.543 -0.593 1.00 0.50 H new ATOM 0 HG3 MET A 17 17.295 -2.399 -0.515 1.00 0.50 H new ATOM 0 HE1 MET A 17 17.606 -6.991 -0.438 1.00 1.78 H new ATOM 0 HE2 MET A 17 17.369 -6.182 1.129 1.00 1.78 H new ATOM 0 HE3 MET A 17 16.155 -5.999 -0.159 1.00 1.78 H new ATOM 107 N LYS A 18 16.305 -1.637 4.108 1.00 0.31 N ATOM 108 CA LYS A 18 16.045 -1.647 5.539 1.00 0.32 C ATOM 109 C LYS A 18 14.977 -0.621 5.899 1.00 0.28 C ATOM 110 O LYS A 18 14.203 -0.827 6.816 1.00 0.31 O ATOM 111 CB LYS A 18 17.316 -1.398 6.360 1.00 0.39 C ATOM 112 CG LYS A 18 17.855 0.024 6.281 1.00 0.48 C ATOM 113 CD LYS A 18 18.463 0.450 7.604 1.00 0.64 C ATOM 114 CE LYS A 18 19.686 -0.377 7.951 1.00 1.12 C ATOM 115 NZ LYS A 18 20.164 -0.107 9.332 1.00 1.61 N ATOM 0 H LYS A 18 17.173 -1.178 3.831 1.00 0.31 H new ATOM 0 HA LYS A 18 15.682 -2.644 5.790 1.00 0.32 H new ATOM 0 HB2 LYS A 18 17.111 -1.637 7.404 1.00 0.39 H new ATOM 0 HB3 LYS A 18 18.091 -2.085 6.022 1.00 0.39 H new ATOM 0 HG2 LYS A 18 18.606 0.089 5.494 1.00 0.48 H new ATOM 0 HG3 LYS A 18 17.050 0.707 6.010 1.00 0.48 H new ATOM 0 HD2 LYS A 18 18.738 1.504 7.556 1.00 0.64 H new ATOM 0 HD3 LYS A 18 17.720 0.350 8.395 1.00 0.64 H new ATOM 0 HE2 LYS A 18 19.449 -1.436 7.849 1.00 1.12 H new ATOM 0 HE3 LYS A 18 20.484 -0.160 7.241 1.00 1.12 H new ATOM 0 HZ1 LYS A 18 21.001 -0.692 9.530 1.00 1.61 H new ATOM 0 HZ2 LYS A 18 20.415 0.898 9.422 1.00 1.61 H new ATOM 0 HZ3 LYS A 18 19.411 -0.338 10.011 1.00 1.61 H new ATOM 129 N LYS A 19 14.951 0.495 5.190 1.00 0.25 N ATOM 130 CA LYS A 19 13.993 1.552 5.482 1.00 0.24 C ATOM 131 C LYS A 19 12.597 1.186 4.991 1.00 0.19 C ATOM 132 O LYS A 19 11.604 1.453 5.665 1.00 0.22 O ATOM 133 CB LYS A 19 14.454 2.869 4.868 1.00 0.27 C ATOM 134 CG LYS A 19 14.490 4.019 5.865 1.00 0.33 C ATOM 135 CD LYS A 19 13.119 4.278 6.474 1.00 0.38 C ATOM 136 CE LYS A 19 13.175 5.331 7.572 1.00 0.47 C ATOM 137 NZ LYS A 19 13.729 6.622 7.085 1.00 0.99 N ATOM 0 H LYS A 19 15.579 0.694 4.411 1.00 0.25 H new ATOM 0 HA LYS A 19 13.941 1.671 6.564 1.00 0.24 H new ATOM 0 HB2 LYS A 19 15.449 2.735 4.443 1.00 0.27 H new ATOM 0 HB3 LYS A 19 13.788 3.131 4.046 1.00 0.27 H new ATOM 0 HG2 LYS A 19 15.203 3.792 6.657 1.00 0.33 H new ATOM 0 HG3 LYS A 19 14.844 4.922 5.367 1.00 0.33 H new ATOM 0 HD2 LYS A 19 12.431 4.603 5.694 1.00 0.38 H new ATOM 0 HD3 LYS A 19 12.722 3.349 6.882 1.00 0.38 H new ATOM 0 HE2 LYS A 19 12.173 5.494 7.968 1.00 0.47 H new ATOM 0 HE3 LYS A 19 13.787 4.963 8.395 1.00 0.47 H new ATOM 0 HZ1 LYS A 19 13.608 7.350 7.818 1.00 0.99 H new ATOM 0 HZ2 LYS A 19 14.741 6.508 6.874 1.00 0.99 H new ATOM 0 HZ3 LYS A 19 13.226 6.912 6.222 1.00 0.99 H new ATOM 151 N VAL A 20 12.527 0.568 3.824 1.00 0.16 N ATOM 152 CA VAL A 20 11.254 0.154 3.256 1.00 0.15 C ATOM 153 C VAL A 20 10.601 -0.917 4.111 1.00 0.17 C ATOM 154 O VAL A 20 9.385 -0.989 4.176 1.00 0.19 O ATOM 155 CB VAL A 20 11.378 -0.355 1.803 1.00 0.17 C ATOM 156 CG1 VAL A 20 11.935 0.728 0.893 1.00 0.18 C ATOM 157 CG2 VAL A 20 12.234 -1.607 1.738 1.00 0.21 C ATOM 0 H VAL A 20 13.339 0.341 3.250 1.00 0.16 H new ATOM 0 HA VAL A 20 10.629 1.047 3.240 1.00 0.15 H new ATOM 0 HB VAL A 20 10.379 -0.610 1.451 1.00 0.17 H new ATOM 0 HG11 VAL A 20 12.012 0.344 -0.124 1.00 0.18 H new ATOM 0 HG12 VAL A 20 11.270 1.591 0.905 1.00 0.18 H new ATOM 0 HG13 VAL A 20 12.923 1.026 1.244 1.00 0.18 H new ATOM 0 HG21 VAL A 20 12.306 -1.945 0.704 1.00 0.21 H new ATOM 0 HG22 VAL A 20 13.232 -1.386 2.118 1.00 0.21 H new ATOM 0 HG23 VAL A 20 11.780 -2.390 2.345 1.00 0.21 H new ATOM 167 N MET A 21 11.405 -1.758 4.765 1.00 0.19 N ATOM 168 CA MET A 21 10.859 -2.793 5.628 1.00 0.25 C ATOM 169 C MET A 21 10.275 -2.165 6.891 1.00 0.25 C ATOM 170 O MET A 21 9.338 -2.695 7.486 1.00 0.27 O ATOM 171 CB MET A 21 11.907 -3.846 5.973 1.00 0.38 C ATOM 172 CG MET A 21 12.947 -3.367 6.938 1.00 1.02 C ATOM 173 SD MET A 21 14.003 -4.695 7.549 1.00 2.01 S ATOM 174 CE MET A 21 15.033 -3.801 8.710 1.00 2.72 C ATOM 0 H MET A 21 12.423 -1.739 4.711 1.00 0.19 H new ATOM 0 HA MET A 21 10.060 -3.301 5.088 1.00 0.25 H new ATOM 0 HB2 MET A 21 11.408 -4.718 6.394 1.00 0.38 H new ATOM 0 HB3 MET A 21 12.398 -4.172 5.056 1.00 0.38 H new ATOM 0 HG2 MET A 21 13.566 -2.612 6.453 1.00 1.02 H new ATOM 0 HG3 MET A 21 12.456 -2.882 7.782 1.00 1.02 H new ATOM 0 HE1 MET A 21 15.934 -4.378 8.916 1.00 2.72 H new ATOM 0 HE2 MET A 21 15.309 -2.837 8.284 1.00 2.72 H new ATOM 0 HE3 MET A 21 14.483 -3.643 9.638 1.00 2.72 H new ATOM 184 N GLN A 22 10.833 -1.026 7.283 1.00 0.26 N ATOM 185 CA GLN A 22 10.275 -0.227 8.374 1.00 0.29 C ATOM 186 C GLN A 22 8.919 0.317 7.947 1.00 0.26 C ATOM 187 O GLN A 22 7.924 0.179 8.660 1.00 0.31 O ATOM 188 CB GLN A 22 11.198 0.941 8.733 1.00 0.33 C ATOM 189 CG GLN A 22 12.666 0.565 8.765 1.00 0.40 C ATOM 190 CD GLN A 22 13.573 1.724 9.133 1.00 0.60 C ATOM 191 OE1 GLN A 22 14.732 1.804 8.485 1.00 1.05 O flip ATOM 192 NE2 GLN A 22 13.215 2.573 9.949 1.00 0.52 N flip ATOM 0 H GLN A 22 11.674 -0.632 6.862 1.00 0.26 H new ATOM 0 HA GLN A 22 10.171 -0.864 9.253 1.00 0.29 H new ATOM 0 HB2 GLN A 22 11.053 1.744 8.010 1.00 0.33 H new ATOM 0 HB3 GLN A 22 10.911 1.334 9.708 1.00 0.33 H new ATOM 0 HG2 GLN A 22 12.812 -0.243 9.482 1.00 0.40 H new ATOM 0 HG3 GLN A 22 12.957 0.181 7.787 1.00 0.40 H new ATOM 0 HE21 GLN A 22 12.318 2.476 10.426 1.00 0.52 H new ATOM 0 HE22 GLN A 22 13.815 3.373 10.149 1.00 0.52 H new ATOM 201 N TYR A 23 8.893 0.920 6.759 1.00 0.20 N ATOM 202 CA TYR A 23 7.653 1.408 6.170 1.00 0.19 C ATOM 203 C TYR A 23 6.690 0.254 5.935 1.00 0.17 C ATOM 204 O TYR A 23 5.478 0.421 6.005 1.00 0.18 O ATOM 205 CB TYR A 23 7.917 2.118 4.840 1.00 0.17 C ATOM 206 CG TYR A 23 8.526 3.495 4.973 1.00 0.21 C ATOM 207 CD1 TYR A 23 9.808 3.752 4.508 1.00 0.24 C ATOM 208 CD2 TYR A 23 7.830 4.533 5.579 1.00 0.26 C ATOM 209 CE1 TYR A 23 10.377 5.003 4.640 1.00 0.29 C ATOM 210 CE2 TYR A 23 8.393 5.786 5.713 1.00 0.31 C ATOM 211 CZ TYR A 23 9.626 6.038 5.189 1.00 0.32 C ATOM 212 OH TYR A 23 10.228 7.264 5.375 1.00 0.38 O ATOM 0 H TYR A 23 9.721 1.081 6.186 1.00 0.20 H new ATOM 0 HA TYR A 23 7.212 2.119 6.869 1.00 0.19 H new ATOM 0 HB2 TYR A 23 8.581 1.498 4.237 1.00 0.17 H new ATOM 0 HB3 TYR A 23 6.977 2.202 4.295 1.00 0.17 H new ATOM 0 HD1 TYR A 23 10.370 2.960 4.035 1.00 0.24 H new ATOM 0 HD2 TYR A 23 6.832 4.357 5.952 1.00 0.26 H new ATOM 0 HE1 TYR A 23 11.394 5.176 4.321 1.00 0.29 H new ATOM 0 HE2 TYR A 23 7.857 6.566 6.233 1.00 0.31 H new ATOM 0 HH TYR A 23 9.582 7.890 5.765 1.00 0.38 H new ATOM 222 N ARG A 24 7.251 -0.916 5.662 1.00 0.17 N ATOM 223 CA ARG A 24 6.473 -2.104 5.349 1.00 0.17 C ATOM 224 C ARG A 24 5.572 -2.481 6.510 1.00 0.17 C ATOM 225 O ARG A 24 4.439 -2.885 6.304 1.00 0.19 O ATOM 226 CB ARG A 24 7.400 -3.268 4.991 1.00 0.18 C ATOM 227 CG ARG A 24 6.691 -4.440 4.337 1.00 0.21 C ATOM 228 CD ARG A 24 7.684 -5.446 3.779 1.00 0.25 C ATOM 229 NE ARG A 24 7.024 -6.468 2.972 1.00 0.33 N ATOM 230 CZ ARG A 24 7.299 -7.769 3.033 1.00 0.47 C ATOM 231 NH1 ARG A 24 8.222 -8.225 3.876 1.00 0.57 N ATOM 232 NH2 ARG A 24 6.650 -8.617 2.247 1.00 0.57 N ATOM 0 H ARG A 24 8.260 -1.067 5.652 1.00 0.17 H new ATOM 0 HA ARG A 24 5.842 -1.882 4.488 1.00 0.17 H new ATOM 0 HB2 ARG A 24 8.179 -2.906 4.319 1.00 0.18 H new ATOM 0 HB3 ARG A 24 7.897 -3.616 5.897 1.00 0.18 H new ATOM 0 HG2 ARG A 24 6.045 -4.930 5.066 1.00 0.21 H new ATOM 0 HG3 ARG A 24 6.048 -4.077 3.535 1.00 0.21 H new ATOM 0 HD2 ARG A 24 8.426 -4.927 3.172 1.00 0.25 H new ATOM 0 HD3 ARG A 24 8.220 -5.921 4.600 1.00 0.25 H new ATOM 0 HE ARG A 24 6.303 -6.165 2.317 1.00 0.33 H new ATOM 0 HH11 ARG A 24 8.725 -7.576 4.482 1.00 0.57 H new ATOM 0 HH12 ARG A 24 8.427 -9.223 3.917 1.00 0.57 H new ATOM 0 HH21 ARG A 24 5.943 -8.272 1.598 1.00 0.57 H new ATOM 0 HH22 ARG A 24 6.858 -9.615 2.291 1.00 0.57 H new ATOM 246 N ARG A 25 6.069 -2.335 7.730 1.00 0.18 N ATOM 247 CA ARG A 25 5.258 -2.612 8.911 1.00 0.18 C ATOM 248 C ARG A 25 4.092 -1.632 8.997 1.00 0.17 C ATOM 249 O ARG A 25 3.002 -1.979 9.452 1.00 0.20 O ATOM 250 CB ARG A 25 6.097 -2.525 10.185 1.00 0.22 C ATOM 251 CG ARG A 25 7.062 -3.684 10.370 1.00 0.32 C ATOM 252 CD ARG A 25 8.512 -3.223 10.376 1.00 0.73 C ATOM 253 NE ARG A 25 8.775 -2.227 11.417 1.00 1.44 N ATOM 254 CZ ARG A 25 9.995 -1.807 11.758 1.00 2.11 C ATOM 255 NH1 ARG A 25 11.071 -2.327 11.177 1.00 2.44 N ATOM 256 NH2 ARG A 25 10.138 -0.872 12.687 1.00 2.87 N ATOM 0 H ARG A 25 7.021 -2.029 7.929 1.00 0.18 H new ATOM 0 HA ARG A 25 4.869 -3.626 8.819 1.00 0.18 H new ATOM 0 HB2 ARG A 25 6.663 -1.593 10.172 1.00 0.22 H new ATOM 0 HB3 ARG A 25 5.429 -2.481 11.045 1.00 0.22 H new ATOM 0 HG2 ARG A 25 6.840 -4.195 11.307 1.00 0.32 H new ATOM 0 HG3 ARG A 25 6.915 -4.409 9.569 1.00 0.32 H new ATOM 0 HD2 ARG A 25 9.164 -4.084 10.527 1.00 0.73 H new ATOM 0 HD3 ARG A 25 8.761 -2.802 9.402 1.00 0.73 H new ATOM 0 HE ARG A 25 7.976 -1.830 11.912 1.00 1.44 H new ATOM 0 HH11 ARG A 25 10.967 -3.051 10.466 1.00 2.44 H new ATOM 0 HH12 ARG A 25 12.001 -2.002 11.442 1.00 2.44 H new ATOM 0 HH21 ARG A 25 9.316 -0.474 13.141 1.00 2.87 H new ATOM 0 HH22 ARG A 25 11.070 -0.551 12.948 1.00 2.87 H new ATOM 270 N ALA A 26 4.326 -0.414 8.534 1.00 0.17 N ATOM 271 CA ALA A 26 3.308 0.626 8.555 1.00 0.19 C ATOM 272 C ALA A 26 2.393 0.524 7.340 1.00 0.19 C ATOM 273 O ALA A 26 1.326 1.133 7.296 1.00 0.28 O ATOM 274 CB ALA A 26 3.964 1.990 8.599 1.00 0.23 C ATOM 0 H ALA A 26 5.218 -0.120 8.136 1.00 0.17 H new ATOM 0 HA ALA A 26 2.700 0.490 9.449 1.00 0.19 H new ATOM 0 HB1 ALA A 26 3.196 2.763 8.614 1.00 0.23 H new ATOM 0 HB2 ALA A 26 4.577 2.070 9.497 1.00 0.23 H new ATOM 0 HB3 ALA A 26 4.592 2.120 7.718 1.00 0.23 H new ATOM 280 N LEU A 27 2.835 -0.227 6.349 1.00 0.15 N ATOM 281 CA LEU A 27 2.046 -0.459 5.149 1.00 0.15 C ATOM 282 C LEU A 27 1.358 -1.817 5.213 1.00 0.17 C ATOM 283 O LEU A 27 0.452 -2.097 4.437 1.00 0.21 O ATOM 284 CB LEU A 27 2.934 -0.356 3.903 1.00 0.15 C ATOM 285 CG LEU A 27 2.971 1.021 3.217 1.00 0.15 C ATOM 286 CD1 LEU A 27 2.900 2.157 4.225 1.00 0.15 C ATOM 287 CD2 LEU A 27 4.236 1.153 2.385 1.00 0.16 C ATOM 0 H LEU A 27 3.743 -0.691 6.350 1.00 0.15 H new ATOM 0 HA LEU A 27 1.274 0.307 5.086 1.00 0.15 H new ATOM 0 HB2 LEU A 27 3.952 -0.629 4.182 1.00 0.15 H new ATOM 0 HB3 LEU A 27 2.594 -1.094 3.176 1.00 0.15 H new ATOM 0 HG LEU A 27 2.095 1.091 2.572 1.00 0.15 H new ATOM 0 HD11 LEU A 27 2.929 3.112 3.700 1.00 0.15 H new ATOM 0 HD12 LEU A 27 1.972 2.083 4.792 1.00 0.15 H new ATOM 0 HD13 LEU A 27 3.748 2.092 4.907 1.00 0.15 H new ATOM 0 HD21 LEU A 27 4.254 2.130 1.903 1.00 0.16 H new ATOM 0 HD22 LEU A 27 5.108 1.050 3.030 1.00 0.16 H new ATOM 0 HD23 LEU A 27 4.254 0.373 1.624 1.00 0.16 H new ATOM 299 N THR A 28 1.785 -2.656 6.144 1.00 0.17 N ATOM 300 CA THR A 28 1.138 -3.938 6.354 1.00 0.15 C ATOM 301 C THR A 28 -0.084 -3.753 7.245 1.00 0.17 C ATOM 302 O THR A 28 0.033 -3.589 8.461 1.00 0.19 O ATOM 303 CB THR A 28 2.107 -4.958 6.993 1.00 0.17 C ATOM 304 OG1 THR A 28 3.244 -5.150 6.141 1.00 0.20 O ATOM 305 CG2 THR A 28 1.427 -6.294 7.226 1.00 0.20 C ATOM 0 H THR A 28 2.574 -2.472 6.763 1.00 0.17 H new ATOM 0 HA THR A 28 0.830 -4.330 5.384 1.00 0.15 H new ATOM 0 HB THR A 28 2.425 -4.558 7.956 1.00 0.17 H new ATOM 0 HG1 THR A 28 3.957 -4.531 6.403 1.00 0.20 H new ATOM 0 HG21 THR A 28 2.135 -6.989 7.676 1.00 0.20 H new ATOM 0 HG22 THR A 28 0.577 -6.158 7.895 1.00 0.20 H new ATOM 0 HG23 THR A 28 1.079 -6.696 6.274 1.00 0.20 H new ATOM 313 N LYS A 29 -1.253 -3.805 6.632 1.00 0.17 N ATOM 314 CA LYS A 29 -2.508 -3.528 7.317 1.00 0.22 C ATOM 315 C LYS A 29 -3.621 -4.365 6.726 1.00 0.19 C ATOM 316 O LYS A 29 -3.484 -4.920 5.640 1.00 0.18 O ATOM 317 CB LYS A 29 -2.909 -2.050 7.180 1.00 0.31 C ATOM 318 CG LYS A 29 -2.490 -1.147 8.335 1.00 0.61 C ATOM 319 CD LYS A 29 -1.030 -0.749 8.263 1.00 0.72 C ATOM 320 CE LYS A 29 -0.694 0.318 9.292 1.00 0.44 C ATOM 321 NZ LYS A 29 -1.560 1.522 9.172 1.00 0.79 N ATOM 0 H LYS A 29 -1.362 -4.040 5.645 1.00 0.17 H new ATOM 0 HA LYS A 29 -2.359 -3.769 8.369 1.00 0.22 H new ATOM 0 HB2 LYS A 29 -2.476 -1.658 6.260 1.00 0.31 H new ATOM 0 HB3 LYS A 29 -3.992 -1.994 7.072 1.00 0.31 H new ATOM 0 HG2 LYS A 29 -3.108 -0.249 8.332 1.00 0.61 H new ATOM 0 HG3 LYS A 29 -2.677 -1.660 9.279 1.00 0.61 H new ATOM 0 HD2 LYS A 29 -0.404 -1.626 8.428 1.00 0.72 H new ATOM 0 HD3 LYS A 29 -0.801 -0.378 7.264 1.00 0.72 H new ATOM 0 HE2 LYS A 29 -0.798 -0.102 10.292 1.00 0.44 H new ATOM 0 HE3 LYS A 29 0.349 0.612 9.177 1.00 0.44 H new ATOM 0 HZ1 LYS A 29 -1.106 2.325 9.652 1.00 0.79 H new ATOM 0 HZ2 LYS A 29 -1.698 1.752 8.167 1.00 0.79 H new ATOM 0 HZ3 LYS A 29 -2.482 1.332 9.613 1.00 0.79 H new ATOM 335 N VAL A 30 -4.721 -4.444 7.442 1.00 0.22 N ATOM 336 CA VAL A 30 -5.929 -5.041 6.910 1.00 0.22 C ATOM 337 C VAL A 30 -6.897 -3.929 6.529 1.00 0.19 C ATOM 338 O VAL A 30 -7.168 -3.033 7.329 1.00 0.23 O ATOM 339 CB VAL A 30 -6.580 -6.019 7.913 1.00 0.30 C ATOM 340 CG1 VAL A 30 -5.723 -7.272 8.059 1.00 0.81 C ATOM 341 CG2 VAL A 30 -6.784 -5.355 9.269 1.00 1.03 C ATOM 0 H VAL A 30 -4.805 -4.101 8.399 1.00 0.22 H new ATOM 0 HA VAL A 30 -5.672 -5.627 6.028 1.00 0.22 H new ATOM 0 HB VAL A 30 -7.558 -6.304 7.526 1.00 0.30 H new ATOM 0 HG11 VAL A 30 -6.193 -7.953 8.769 1.00 0.81 H new ATOM 0 HG12 VAL A 30 -5.630 -7.764 7.091 1.00 0.81 H new ATOM 0 HG13 VAL A 30 -4.733 -6.996 8.422 1.00 0.81 H new ATOM 0 HG21 VAL A 30 -7.244 -6.065 9.956 1.00 1.03 H new ATOM 0 HG22 VAL A 30 -5.820 -5.037 9.667 1.00 1.03 H new ATOM 0 HG23 VAL A 30 -7.434 -4.487 9.155 1.00 1.03 H new ATOM 351 N VAL A 31 -7.380 -3.961 5.300 1.00 0.16 N ATOM 352 CA VAL A 31 -8.185 -2.873 4.771 1.00 0.15 C ATOM 353 C VAL A 31 -9.153 -3.397 3.714 1.00 0.15 C ATOM 354 O VAL A 31 -8.961 -4.472 3.171 1.00 0.18 O ATOM 355 CB VAL A 31 -7.263 -1.763 4.197 1.00 0.18 C ATOM 356 CG1 VAL A 31 -7.571 -1.436 2.743 1.00 0.18 C ATOM 357 CG2 VAL A 31 -7.350 -0.511 5.057 1.00 0.26 C ATOM 0 H VAL A 31 -7.229 -4.730 4.648 1.00 0.16 H new ATOM 0 HA VAL A 31 -8.777 -2.438 5.576 1.00 0.15 H new ATOM 0 HB VAL A 31 -6.244 -2.149 4.222 1.00 0.18 H new ATOM 0 HG11 VAL A 31 -6.896 -0.654 2.395 1.00 0.18 H new ATOM 0 HG12 VAL A 31 -7.437 -2.329 2.133 1.00 0.18 H new ATOM 0 HG13 VAL A 31 -8.601 -1.090 2.658 1.00 0.18 H new ATOM 0 HG21 VAL A 31 -6.699 0.260 4.644 1.00 0.26 H new ATOM 0 HG22 VAL A 31 -8.378 -0.149 5.070 1.00 0.26 H new ATOM 0 HG23 VAL A 31 -7.035 -0.745 6.074 1.00 0.26 H new ATOM 367 N LYS A 32 -10.197 -2.653 3.431 1.00 0.14 N ATOM 368 CA LYS A 32 -11.188 -3.091 2.471 1.00 0.13 C ATOM 369 C LYS A 32 -11.164 -2.191 1.243 1.00 0.12 C ATOM 370 O LYS A 32 -11.289 -0.972 1.350 1.00 0.14 O ATOM 371 CB LYS A 32 -12.569 -3.105 3.131 1.00 0.14 C ATOM 372 CG LYS A 32 -13.622 -3.880 2.360 1.00 0.15 C ATOM 373 CD LYS A 32 -14.329 -3.012 1.337 1.00 0.26 C ATOM 374 CE LYS A 32 -15.507 -3.742 0.717 1.00 0.28 C ATOM 375 NZ LYS A 32 -16.525 -4.125 1.733 1.00 0.67 N ATOM 0 H LYS A 32 -10.384 -1.742 3.850 1.00 0.14 H new ATOM 0 HA LYS A 32 -10.957 -4.104 2.141 1.00 0.13 H new ATOM 0 HB2 LYS A 32 -12.477 -3.534 4.129 1.00 0.14 H new ATOM 0 HB3 LYS A 32 -12.910 -2.077 3.255 1.00 0.14 H new ATOM 0 HG2 LYS A 32 -13.154 -4.726 1.857 1.00 0.15 H new ATOM 0 HG3 LYS A 32 -14.354 -4.289 3.057 1.00 0.15 H new ATOM 0 HD2 LYS A 32 -14.676 -2.095 1.812 1.00 0.26 H new ATOM 0 HD3 LYS A 32 -13.627 -2.721 0.556 1.00 0.26 H new ATOM 0 HE2 LYS A 32 -15.970 -3.107 -0.038 1.00 0.28 H new ATOM 0 HE3 LYS A 32 -15.151 -4.637 0.206 1.00 0.28 H new ATOM 0 HZ1 LYS A 32 -17.435 -4.304 1.262 1.00 0.67 H new ATOM 0 HZ2 LYS A 32 -16.216 -4.986 2.227 1.00 0.67 H new ATOM 0 HZ3 LYS A 32 -16.637 -3.353 2.421 1.00 0.67 H new ATOM 389 N LEU A 33 -10.990 -2.800 0.080 1.00 0.12 N ATOM 390 CA LEU A 33 -10.907 -2.055 -1.168 1.00 0.13 C ATOM 391 C LEU A 33 -12.274 -1.885 -1.798 1.00 0.14 C ATOM 392 O LEU A 33 -13.109 -2.787 -1.745 1.00 0.16 O ATOM 393 CB LEU A 33 -9.970 -2.743 -2.161 1.00 0.16 C ATOM 394 CG LEU A 33 -8.485 -2.462 -1.948 1.00 0.18 C ATOM 395 CD1 LEU A 33 -7.640 -3.306 -2.889 1.00 0.21 C ATOM 396 CD2 LEU A 33 -8.202 -0.985 -2.166 1.00 0.18 C ATOM 0 H LEU A 33 -10.903 -3.811 -0.026 1.00 0.12 H new ATOM 0 HA LEU A 33 -10.505 -1.071 -0.927 1.00 0.13 H new ATOM 0 HB2 LEU A 33 -10.132 -3.819 -2.105 1.00 0.16 H new ATOM 0 HB3 LEU A 33 -10.242 -2.432 -3.170 1.00 0.16 H new ATOM 0 HG LEU A 33 -8.223 -2.726 -0.924 1.00 0.18 H new ATOM 0 HD11 LEU A 33 -6.585 -3.091 -2.722 1.00 0.21 H new ATOM 0 HD12 LEU A 33 -7.830 -4.363 -2.700 1.00 0.21 H new ATOM 0 HD13 LEU A 33 -7.899 -3.070 -3.921 1.00 0.21 H new ATOM 0 HD21 LEU A 33 -7.140 -0.791 -2.012 1.00 0.18 H new ATOM 0 HD22 LEU A 33 -8.478 -0.708 -3.183 1.00 0.18 H new ATOM 0 HD23 LEU A 33 -8.785 -0.395 -1.459 1.00 0.18 H new ATOM 408 N LYS A 34 -12.493 -0.721 -2.392 1.00 0.15 N ATOM 409 CA LYS A 34 -13.754 -0.431 -3.073 1.00 0.19 C ATOM 410 C LYS A 34 -13.495 0.424 -4.297 1.00 0.21 C ATOM 411 O LYS A 34 -13.195 1.611 -4.171 1.00 0.23 O ATOM 412 CB LYS A 34 -14.725 0.330 -2.168 1.00 0.22 C ATOM 413 CG LYS A 34 -14.814 -0.182 -0.742 1.00 0.23 C ATOM 414 CD LYS A 34 -15.872 0.570 0.056 1.00 0.47 C ATOM 415 CE LYS A 34 -15.638 2.078 0.036 1.00 0.45 C ATOM 416 NZ LYS A 34 -16.684 2.819 0.792 1.00 0.84 N ATOM 0 H LYS A 34 -11.815 0.041 -2.418 1.00 0.15 H new ATOM 0 HA LYS A 34 -14.196 -1.388 -3.350 1.00 0.19 H new ATOM 0 HB2 LYS A 34 -14.428 1.378 -2.143 1.00 0.22 H new ATOM 0 HB3 LYS A 34 -15.719 0.291 -2.614 1.00 0.22 H new ATOM 0 HG2 LYS A 34 -15.051 -1.246 -0.750 1.00 0.23 H new ATOM 0 HG3 LYS A 34 -13.845 -0.075 -0.255 1.00 0.23 H new ATOM 0 HD2 LYS A 34 -16.858 0.351 -0.353 1.00 0.47 H new ATOM 0 HD3 LYS A 34 -15.868 0.216 1.087 1.00 0.47 H new ATOM 0 HE2 LYS A 34 -14.659 2.298 0.463 1.00 0.45 H new ATOM 0 HE3 LYS A 34 -15.622 2.428 -0.996 1.00 0.45 H new ATOM 0 HZ1 LYS A 34 -16.485 3.839 0.751 1.00 0.84 H new ATOM 0 HZ2 LYS A 34 -17.616 2.631 0.370 1.00 0.84 H new ATOM 0 HZ3 LYS A 34 -16.683 2.505 1.784 1.00 0.84 H new ATOM 430 N THR A 35 -13.594 -0.164 -5.471 1.00 0.23 N ATOM 431 CA THR A 35 -13.392 0.580 -6.701 1.00 0.26 C ATOM 432 C THR A 35 -13.816 -0.259 -7.914 1.00 0.28 C ATOM 433 O THR A 35 -14.469 -1.291 -7.750 1.00 0.28 O ATOM 434 CB THR A 35 -11.919 1.062 -6.811 1.00 0.27 C ATOM 435 OG1 THR A 35 -11.666 1.697 -8.069 1.00 0.34 O ATOM 436 CG2 THR A 35 -10.943 -0.084 -6.598 1.00 0.27 C ATOM 0 H THR A 35 -13.812 -1.152 -5.602 1.00 0.23 H new ATOM 0 HA THR A 35 -14.024 1.468 -6.685 1.00 0.26 H new ATOM 0 HB THR A 35 -11.766 1.797 -6.020 1.00 0.27 H new ATOM 0 HG1 THR A 35 -10.802 2.158 -8.035 1.00 0.34 H new ATOM 0 HG21 THR A 35 -9.922 0.288 -6.682 1.00 0.27 H new ATOM 0 HG22 THR A 35 -11.094 -0.511 -5.606 1.00 0.27 H new ATOM 0 HG23 THR A 35 -11.113 -0.852 -7.353 1.00 0.27 H new ATOM 444 N HIS A 36 -13.440 0.172 -9.117 1.00 0.33 N ATOM 445 CA HIS A 36 -13.760 -0.562 -10.343 1.00 0.38 C ATOM 446 C HIS A 36 -13.013 -1.893 -10.369 1.00 0.34 C ATOM 447 O HIS A 36 -13.307 -2.782 -11.171 1.00 0.37 O ATOM 448 CB HIS A 36 -13.397 0.266 -11.578 1.00 0.48 C ATOM 449 CG HIS A 36 -14.161 1.551 -11.695 1.00 1.31 C ATOM 450 ND1 HIS A 36 -13.555 2.787 -11.770 1.00 2.07 N ATOM 451 CD2 HIS A 36 -15.492 1.784 -11.760 1.00 2.25 C ATOM 452 CE1 HIS A 36 -14.480 3.721 -11.876 1.00 2.94 C ATOM 453 NE2 HIS A 36 -15.664 3.141 -11.874 1.00 3.02 N ATOM 0 H HIS A 36 -12.911 1.030 -9.270 1.00 0.33 H new ATOM 0 HA HIS A 36 -14.833 -0.755 -10.358 1.00 0.38 H new ATOM 0 HB2 HIS A 36 -12.331 0.490 -11.552 1.00 0.48 H new ATOM 0 HB3 HIS A 36 -13.575 -0.334 -12.471 1.00 0.48 H new ATOM 0 HD2 HIS A 36 -16.274 1.040 -11.728 1.00 2.25 H new ATOM 0 HE1 HIS A 36 -14.298 4.783 -11.952 1.00 2.94 H new ATOM 0 HE2 HIS A 36 -16.561 3.622 -11.945 1.00 3.02 H new ATOM 462 N LEU A 37 -12.030 -2.001 -9.489 1.00 0.32 N ATOM 463 CA LEU A 37 -11.316 -3.246 -9.257 1.00 0.33 C ATOM 464 C LEU A 37 -12.276 -4.271 -8.657 1.00 0.31 C ATOM 465 O LEU A 37 -12.587 -5.287 -9.278 1.00 0.36 O ATOM 466 CB LEU A 37 -10.153 -2.982 -8.290 1.00 0.38 C ATOM 467 CG LEU A 37 -9.198 -4.146 -8.032 1.00 0.46 C ATOM 468 CD1 LEU A 37 -8.315 -4.398 -9.244 1.00 1.00 C ATOM 469 CD2 LEU A 37 -8.359 -3.862 -6.790 1.00 0.32 C ATOM 0 H LEU A 37 -11.704 -1.224 -8.914 1.00 0.32 H new ATOM 0 HA LEU A 37 -10.922 -3.635 -10.196 1.00 0.33 H new ATOM 0 HB2 LEU A 37 -9.572 -2.145 -8.677 1.00 0.38 H new ATOM 0 HB3 LEU A 37 -10.570 -2.666 -7.334 1.00 0.38 H new ATOM 0 HG LEU A 37 -9.782 -5.050 -7.857 1.00 0.46 H new ATOM 0 HD11 LEU A 37 -7.643 -5.231 -9.038 1.00 1.00 H new ATOM 0 HD12 LEU A 37 -8.939 -4.639 -10.105 1.00 1.00 H new ATOM 0 HD13 LEU A 37 -7.729 -3.504 -9.460 1.00 1.00 H new ATOM 0 HD21 LEU A 37 -7.680 -4.696 -6.611 1.00 0.32 H new ATOM 0 HD22 LEU A 37 -7.782 -2.950 -6.942 1.00 0.32 H new ATOM 0 HD23 LEU A 37 -9.015 -3.737 -5.928 1.00 0.32 H new ATOM 481 N PHE A 38 -12.754 -3.964 -7.451 1.00 0.26 N ATOM 482 CA PHE A 38 -13.737 -4.779 -6.745 1.00 0.26 C ATOM 483 C PHE A 38 -14.027 -4.150 -5.389 1.00 0.23 C ATOM 484 O PHE A 38 -13.519 -3.069 -5.082 1.00 0.22 O ATOM 485 CB PHE A 38 -13.248 -6.228 -6.553 1.00 0.27 C ATOM 486 CG PHE A 38 -11.928 -6.359 -5.837 1.00 0.32 C ATOM 487 CD1 PHE A 38 -10.778 -6.730 -6.517 1.00 0.73 C ATOM 488 CD2 PHE A 38 -11.839 -6.094 -4.483 1.00 0.67 C ATOM 489 CE1 PHE A 38 -9.570 -6.839 -5.859 1.00 0.82 C ATOM 490 CE2 PHE A 38 -10.634 -6.202 -3.820 1.00 0.71 C ATOM 491 CZ PHE A 38 -9.494 -6.625 -4.527 1.00 0.55 C ATOM 0 H PHE A 38 -12.465 -3.134 -6.933 1.00 0.26 H new ATOM 0 HA PHE A 38 -14.645 -4.815 -7.347 1.00 0.26 H new ATOM 0 HB2 PHE A 38 -14.004 -6.781 -5.996 1.00 0.27 H new ATOM 0 HB3 PHE A 38 -13.163 -6.701 -7.531 1.00 0.27 H new ATOM 0 HD1 PHE A 38 -10.828 -6.936 -7.576 1.00 0.73 H new ATOM 0 HD2 PHE A 38 -12.723 -5.799 -3.938 1.00 0.67 H new ATOM 0 HE1 PHE A 38 -8.679 -7.097 -6.412 1.00 0.82 H new ATOM 0 HE2 PHE A 38 -10.567 -5.964 -2.769 1.00 0.71 H new ATOM 0 HZ PHE A 38 -8.560 -6.778 -4.007 1.00 0.55 H new ATOM 501 N SER A 39 -14.843 -4.821 -4.592 1.00 0.23 N ATOM 502 CA SER A 39 -15.062 -4.424 -3.214 1.00 0.22 C ATOM 503 C SER A 39 -14.899 -5.637 -2.299 1.00 0.22 C ATOM 504 O SER A 39 -15.806 -6.462 -2.184 1.00 0.28 O ATOM 505 CB SER A 39 -16.453 -3.807 -3.056 1.00 0.27 C ATOM 506 OG SER A 39 -17.448 -4.618 -3.667 1.00 0.34 O ATOM 0 H SER A 39 -15.367 -5.648 -4.880 1.00 0.23 H new ATOM 0 HA SER A 39 -14.324 -3.672 -2.933 1.00 0.22 H new ATOM 0 HB2 SER A 39 -16.681 -3.683 -1.997 1.00 0.27 H new ATOM 0 HB3 SER A 39 -16.466 -2.813 -3.503 1.00 0.27 H new ATOM 0 HG SER A 39 -17.283 -5.559 -3.448 1.00 0.34 H new ATOM 512 N GLU A 40 -13.744 -5.733 -1.650 1.00 0.20 N ATOM 513 CA GLU A 40 -13.424 -6.866 -0.782 1.00 0.24 C ATOM 514 C GLU A 40 -12.432 -6.439 0.282 1.00 0.18 C ATOM 515 O GLU A 40 -11.732 -5.438 0.122 1.00 0.15 O ATOM 516 CB GLU A 40 -12.810 -8.023 -1.579 1.00 0.33 C ATOM 517 CG GLU A 40 -13.781 -8.744 -2.497 1.00 0.47 C ATOM 518 CD GLU A 40 -13.101 -9.802 -3.337 1.00 1.15 C ATOM 519 OE1 GLU A 40 -12.898 -10.927 -2.838 1.00 1.45 O ATOM 520 OE2 GLU A 40 -12.769 -9.516 -4.505 1.00 2.08 O ATOM 0 H GLU A 40 -13.005 -5.033 -1.708 1.00 0.20 H new ATOM 0 HA GLU A 40 -14.354 -7.202 -0.324 1.00 0.24 H new ATOM 0 HB2 GLU A 40 -11.984 -7.637 -2.177 1.00 0.33 H new ATOM 0 HB3 GLU A 40 -12.388 -8.745 -0.880 1.00 0.33 H new ATOM 0 HG2 GLU A 40 -14.566 -9.207 -1.899 1.00 0.47 H new ATOM 0 HG3 GLU A 40 -14.265 -8.019 -3.152 1.00 0.47 H new ATOM 527 N THR A 41 -12.373 -7.198 1.362 1.00 0.20 N ATOM 528 CA THR A 41 -11.399 -6.955 2.406 1.00 0.19 C ATOM 529 C THR A 41 -10.076 -7.606 2.028 1.00 0.18 C ATOM 530 O THR A 41 -10.019 -8.806 1.745 1.00 0.23 O ATOM 531 CB THR A 41 -11.873 -7.500 3.763 1.00 0.25 C ATOM 532 OG1 THR A 41 -13.193 -7.016 4.056 1.00 0.32 O ATOM 533 CG2 THR A 41 -10.920 -7.089 4.878 1.00 0.27 C ATOM 0 H THR A 41 -12.991 -7.990 1.537 1.00 0.20 H new ATOM 0 HA THR A 41 -11.272 -5.877 2.504 1.00 0.19 H new ATOM 0 HB THR A 41 -11.890 -8.588 3.703 1.00 0.25 H new ATOM 0 HG1 THR A 41 -13.487 -7.370 4.921 1.00 0.32 H new ATOM 0 HG21 THR A 41 -11.278 -7.487 5.828 1.00 0.27 H new ATOM 0 HG22 THR A 41 -9.925 -7.484 4.671 1.00 0.27 H new ATOM 0 HG23 THR A 41 -10.874 -6.001 4.935 1.00 0.27 H new ATOM 541 N VAL A 42 -9.026 -6.808 2.008 1.00 0.16 N ATOM 542 CA VAL A 42 -7.723 -7.256 1.564 1.00 0.16 C ATOM 543 C VAL A 42 -6.666 -6.879 2.598 1.00 0.16 C ATOM 544 O VAL A 42 -6.843 -5.938 3.369 1.00 0.23 O ATOM 545 CB VAL A 42 -7.361 -6.619 0.196 1.00 0.15 C ATOM 546 CG1 VAL A 42 -8.513 -6.776 -0.786 1.00 0.16 C ATOM 547 CG2 VAL A 42 -6.995 -5.150 0.349 1.00 0.15 C ATOM 0 H VAL A 42 -9.054 -5.831 2.299 1.00 0.16 H new ATOM 0 HA VAL A 42 -7.752 -8.340 1.449 1.00 0.16 H new ATOM 0 HB VAL A 42 -6.490 -7.144 -0.195 1.00 0.15 H new ATOM 0 HG11 VAL A 42 -8.242 -6.324 -1.740 1.00 0.16 H new ATOM 0 HG12 VAL A 42 -8.724 -7.835 -0.933 1.00 0.16 H new ATOM 0 HG13 VAL A 42 -9.400 -6.282 -0.389 1.00 0.16 H new ATOM 0 HG21 VAL A 42 -6.747 -4.733 -0.627 1.00 0.15 H new ATOM 0 HG22 VAL A 42 -7.840 -4.606 0.771 1.00 0.15 H new ATOM 0 HG23 VAL A 42 -6.135 -5.056 1.013 1.00 0.15 H new ATOM 557 N LYS A 43 -5.582 -7.617 2.646 1.00 0.13 N ATOM 558 CA LYS A 43 -4.484 -7.234 3.499 1.00 0.14 C ATOM 559 C LYS A 43 -3.419 -6.553 2.659 1.00 0.13 C ATOM 560 O LYS A 43 -2.869 -7.157 1.747 1.00 0.15 O ATOM 561 CB LYS A 43 -3.901 -8.443 4.222 1.00 0.17 C ATOM 562 CG LYS A 43 -3.012 -8.051 5.388 1.00 0.26 C ATOM 563 CD LYS A 43 -2.390 -9.255 6.067 1.00 0.34 C ATOM 564 CE LYS A 43 -3.408 -10.353 6.328 1.00 0.89 C ATOM 565 NZ LYS A 43 -2.865 -11.408 7.225 1.00 1.61 N ATOM 0 H LYS A 43 -5.438 -8.474 2.112 1.00 0.13 H new ATOM 0 HA LYS A 43 -4.850 -6.543 4.259 1.00 0.14 H new ATOM 0 HB2 LYS A 43 -4.714 -9.072 4.585 1.00 0.17 H new ATOM 0 HB3 LYS A 43 -3.326 -9.042 3.516 1.00 0.17 H new ATOM 0 HG2 LYS A 43 -2.222 -7.388 5.033 1.00 0.26 H new ATOM 0 HG3 LYS A 43 -3.597 -7.489 6.115 1.00 0.26 H new ATOM 0 HD2 LYS A 43 -1.586 -9.647 5.444 1.00 0.34 H new ATOM 0 HD3 LYS A 43 -1.940 -8.946 7.011 1.00 0.34 H new ATOM 0 HE2 LYS A 43 -4.303 -9.920 6.776 1.00 0.89 H new ATOM 0 HE3 LYS A 43 -3.710 -10.801 5.381 1.00 0.89 H new ATOM 0 HZ1 LYS A 43 -3.589 -12.139 7.379 1.00 1.61 H new ATOM 0 HZ2 LYS A 43 -2.026 -11.839 6.786 1.00 1.61 H new ATOM 0 HZ3 LYS A 43 -2.600 -10.985 8.138 1.00 1.61 H new ATOM 579 N VAL A 44 -3.124 -5.308 2.977 1.00 0.13 N ATOM 580 CA VAL A 44 -2.212 -4.516 2.171 1.00 0.14 C ATOM 581 C VAL A 44 -0.841 -4.461 2.811 1.00 0.15 C ATOM 582 O VAL A 44 -0.693 -4.660 4.017 1.00 0.19 O ATOM 583 CB VAL A 44 -2.724 -3.073 1.947 1.00 0.20 C ATOM 584 CG1 VAL A 44 -3.287 -2.922 0.546 1.00 0.35 C ATOM 585 CG2 VAL A 44 -3.776 -2.697 2.975 1.00 0.25 C ATOM 0 H VAL A 44 -3.503 -4.821 3.789 1.00 0.13 H new ATOM 0 HA VAL A 44 -2.150 -5.009 1.201 1.00 0.14 H new ATOM 0 HB VAL A 44 -1.877 -2.397 2.064 1.00 0.20 H new ATOM 0 HG11 VAL A 44 -3.643 -1.901 0.405 1.00 0.35 H new ATOM 0 HG12 VAL A 44 -2.508 -3.139 -0.185 1.00 0.35 H new ATOM 0 HG13 VAL A 44 -4.116 -3.617 0.410 1.00 0.35 H new ATOM 0 HG21 VAL A 44 -4.116 -1.678 2.791 1.00 0.25 H new ATOM 0 HG22 VAL A 44 -4.621 -3.381 2.898 1.00 0.25 H new ATOM 0 HG23 VAL A 44 -3.347 -2.762 3.975 1.00 0.25 H new ATOM 595 N THR A 45 0.152 -4.213 1.980 1.00 0.15 N ATOM 596 CA THR A 45 1.538 -4.175 2.398 1.00 0.16 C ATOM 597 C THR A 45 2.387 -3.720 1.214 1.00 0.13 C ATOM 598 O THR A 45 1.848 -3.318 0.181 1.00 0.14 O ATOM 599 CB THR A 45 1.999 -5.570 2.896 1.00 0.19 C ATOM 600 OG1 THR A 45 3.321 -5.499 3.452 1.00 0.21 O ATOM 601 CG2 THR A 45 1.970 -6.594 1.768 1.00 0.20 C ATOM 0 H THR A 45 0.017 -4.030 0.986 1.00 0.15 H new ATOM 0 HA THR A 45 1.654 -3.476 3.226 1.00 0.16 H new ATOM 0 HB THR A 45 1.303 -5.889 3.672 1.00 0.19 H new ATOM 0 HG1 THR A 45 3.266 -5.516 4.430 1.00 0.21 H new ATOM 0 HG21 THR A 45 2.298 -7.562 2.147 1.00 0.20 H new ATOM 0 HG22 THR A 45 0.955 -6.681 1.381 1.00 0.20 H new ATOM 0 HG23 THR A 45 2.637 -6.273 0.968 1.00 0.20 H new ATOM 609 N CYS A 46 3.696 -3.772 1.348 1.00 0.15 N ATOM 610 CA CYS A 46 4.566 -3.395 0.255 1.00 0.14 C ATOM 611 C CYS A 46 5.598 -4.479 0.001 1.00 0.15 C ATOM 612 O CYS A 46 5.727 -5.419 0.790 1.00 0.19 O ATOM 613 CB CYS A 46 5.250 -2.054 0.533 1.00 0.16 C ATOM 614 SG CYS A 46 6.358 -2.059 1.960 1.00 0.19 S ATOM 0 H CYS A 46 4.178 -4.069 2.197 1.00 0.15 H new ATOM 0 HA CYS A 46 3.955 -3.280 -0.640 1.00 0.14 H new ATOM 0 HB2 CYS A 46 5.817 -1.760 -0.350 1.00 0.16 H new ATOM 0 HB3 CYS A 46 4.483 -1.295 0.687 1.00 0.16 H new ATOM 0 HG CYS A 46 7.348 -2.872 1.738 1.00 0.19 H new ATOM 620 N SER A 47 6.317 -4.356 -1.103 1.00 0.19 N ATOM 621 CA SER A 47 7.360 -5.305 -1.448 1.00 0.27 C ATOM 622 C SER A 47 8.477 -5.278 -0.403 1.00 0.25 C ATOM 623 O SER A 47 8.562 -4.351 0.409 1.00 0.25 O ATOM 624 CB SER A 47 7.923 -4.978 -2.835 1.00 0.41 C ATOM 625 OG SER A 47 8.857 -5.950 -3.265 1.00 1.15 O ATOM 0 H SER A 47 6.195 -3.602 -1.779 1.00 0.19 H new ATOM 0 HA SER A 47 6.931 -6.307 -1.466 1.00 0.27 H new ATOM 0 HB2 SER A 47 7.106 -4.916 -3.554 1.00 0.41 H new ATOM 0 HB3 SER A 47 8.402 -3.999 -2.812 1.00 0.41 H new ATOM 0 HG SER A 47 9.194 -5.710 -4.154 1.00 1.15 H new ATOM 631 N LYS A 48 9.338 -6.284 -0.437 1.00 0.29 N ATOM 632 CA LYS A 48 10.448 -6.378 0.500 1.00 0.31 C ATOM 633 C LYS A 48 11.463 -5.276 0.227 1.00 0.27 C ATOM 634 O LYS A 48 12.157 -4.818 1.131 1.00 0.40 O ATOM 635 CB LYS A 48 11.110 -7.749 0.385 1.00 0.39 C ATOM 636 CG LYS A 48 10.134 -8.892 0.587 1.00 0.56 C ATOM 637 CD LYS A 48 10.737 -10.222 0.178 1.00 0.74 C ATOM 638 CE LYS A 48 9.689 -11.321 0.181 1.00 1.36 C ATOM 639 NZ LYS A 48 8.571 -11.026 -0.757 1.00 2.10 N ATOM 0 H LYS A 48 9.289 -7.051 -1.107 1.00 0.29 H new ATOM 0 HA LYS A 48 10.067 -6.254 1.514 1.00 0.31 H new ATOM 0 HB2 LYS A 48 11.573 -7.842 -0.597 1.00 0.39 H new ATOM 0 HB3 LYS A 48 11.909 -7.825 1.123 1.00 0.39 H new ATOM 0 HG2 LYS A 48 9.835 -8.935 1.634 1.00 0.56 H new ATOM 0 HG3 LYS A 48 9.231 -8.707 0.005 1.00 0.56 H new ATOM 0 HD2 LYS A 48 11.175 -10.136 -0.816 1.00 0.74 H new ATOM 0 HD3 LYS A 48 11.545 -10.484 0.861 1.00 0.74 H new ATOM 0 HE2 LYS A 48 10.155 -12.267 -0.095 1.00 1.36 H new ATOM 0 HE3 LYS A 48 9.294 -11.443 1.190 1.00 1.36 H new ATOM 0 HZ1 LYS A 48 8.079 -11.910 -0.999 1.00 2.10 H new ATOM 0 HZ2 LYS A 48 7.903 -10.370 -0.305 1.00 2.10 H new ATOM 0 HZ3 LYS A 48 8.950 -10.592 -1.623 1.00 2.10 H new ATOM 653 N ASP A 49 11.541 -4.855 -1.028 1.00 0.27 N ATOM 654 CA ASP A 49 12.403 -3.739 -1.411 1.00 0.27 C ATOM 655 C ASP A 49 11.607 -2.442 -1.422 1.00 0.25 C ATOM 656 O ASP A 49 12.147 -1.375 -1.699 1.00 0.28 O ATOM 657 CB ASP A 49 13.021 -3.964 -2.793 1.00 0.36 C ATOM 658 CG ASP A 49 14.014 -5.108 -2.831 1.00 0.48 C ATOM 659 OD1 ASP A 49 15.234 -4.841 -2.900 1.00 0.71 O ATOM 660 OD2 ASP A 49 13.582 -6.279 -2.761 1.00 0.56 O ATOM 0 H ASP A 49 11.018 -5.268 -1.801 1.00 0.27 H new ATOM 0 HA ASP A 49 13.206 -3.673 -0.677 1.00 0.27 H new ATOM 0 HB2 ASP A 49 12.225 -4.160 -3.511 1.00 0.36 H new ATOM 0 HB3 ASP A 49 13.520 -3.049 -3.113 1.00 0.36 H new ATOM 665 N GLY A 50 10.315 -2.548 -1.115 1.00 0.23 N ATOM 666 CA GLY A 50 9.441 -1.385 -1.112 1.00 0.25 C ATOM 667 C GLY A 50 9.073 -0.930 -2.507 1.00 0.28 C ATOM 668 O GLY A 50 8.375 0.060 -2.673 1.00 0.43 O ATOM 0 H GLY A 50 9.856 -3.424 -0.867 1.00 0.23 H new ATOM 0 HA2 GLY A 50 8.532 -1.620 -0.559 1.00 0.25 H new ATOM 0 HA3 GLY A 50 9.932 -0.567 -0.585 1.00 0.25 H new ATOM 672 N GLU A 51 9.506 -1.685 -3.509 1.00 0.25 N ATOM 673 CA GLU A 51 9.301 -1.316 -4.907 1.00 0.30 C ATOM 674 C GLU A 51 7.844 -1.506 -5.344 1.00 0.22 C ATOM 675 O GLU A 51 7.503 -1.248 -6.501 1.00 0.27 O ATOM 676 CB GLU A 51 10.200 -2.169 -5.807 1.00 0.40 C ATOM 677 CG GLU A 51 11.679 -2.122 -5.452 1.00 0.74 C ATOM 678 CD GLU A 51 12.338 -0.798 -5.782 1.00 1.30 C ATOM 679 OE1 GLU A 51 12.383 -0.432 -6.977 1.00 1.80 O ATOM 680 OE2 GLU A 51 12.858 -0.141 -4.857 1.00 1.99 O ATOM 0 H GLU A 51 10.006 -2.565 -3.379 1.00 0.25 H new ATOM 0 HA GLU A 51 9.553 -0.260 -5.003 1.00 0.30 H new ATOM 0 HB2 GLU A 51 9.861 -3.204 -5.760 1.00 0.40 H new ATOM 0 HB3 GLU A 51 10.077 -1.839 -6.839 1.00 0.40 H new ATOM 0 HG2 GLU A 51 11.795 -2.321 -4.387 1.00 0.74 H new ATOM 0 HG3 GLU A 51 12.198 -2.920 -5.984 1.00 0.74 H new ATOM 687 N GLU A 52 6.983 -1.941 -4.433 1.00 0.24 N ATOM 688 CA GLU A 52 5.621 -2.310 -4.804 1.00 0.21 C ATOM 689 C GLU A 52 4.660 -2.154 -3.637 1.00 0.18 C ATOM 690 O GLU A 52 5.055 -2.288 -2.483 1.00 0.21 O ATOM 691 CB GLU A 52 5.585 -3.765 -5.257 1.00 0.27 C ATOM 692 CG GLU A 52 4.400 -4.107 -6.137 1.00 0.56 C ATOM 693 CD GLU A 52 4.312 -5.586 -6.433 1.00 0.97 C ATOM 694 OE1 GLU A 52 3.982 -6.363 -5.515 1.00 1.29 O ATOM 695 OE2 GLU A 52 4.558 -5.979 -7.591 1.00 1.49 O ATOM 0 H GLU A 52 7.199 -2.047 -3.442 1.00 0.24 H new ATOM 0 HA GLU A 52 5.312 -1.644 -5.610 1.00 0.21 H new ATOM 0 HB2 GLU A 52 6.504 -3.989 -5.799 1.00 0.27 H new ATOM 0 HB3 GLU A 52 5.569 -4.408 -4.377 1.00 0.27 H new ATOM 0 HG2 GLU A 52 3.482 -3.782 -5.648 1.00 0.56 H new ATOM 0 HG3 GLU A 52 4.475 -3.555 -7.074 1.00 0.56 H new ATOM 702 N VAL A 53 3.408 -1.873 -3.957 1.00 0.16 N ATOM 703 CA VAL A 53 2.319 -1.948 -2.994 1.00 0.16 C ATOM 704 C VAL A 53 1.473 -3.159 -3.338 1.00 0.18 C ATOM 705 O VAL A 53 0.870 -3.208 -4.405 1.00 0.34 O ATOM 706 CB VAL A 53 1.417 -0.696 -3.016 1.00 0.17 C ATOM 707 CG1 VAL A 53 0.310 -0.816 -1.977 1.00 0.20 C ATOM 708 CG2 VAL A 53 2.233 0.564 -2.793 1.00 0.21 C ATOM 0 H VAL A 53 3.116 -1.586 -4.891 1.00 0.16 H new ATOM 0 HA VAL A 53 2.754 -2.019 -1.997 1.00 0.16 H new ATOM 0 HB VAL A 53 0.955 -0.626 -4.001 1.00 0.17 H new ATOM 0 HG11 VAL A 53 -0.316 0.076 -2.007 1.00 0.20 H new ATOM 0 HG12 VAL A 53 -0.299 -1.694 -2.194 1.00 0.20 H new ATOM 0 HG13 VAL A 53 0.751 -0.916 -0.985 1.00 0.20 H new ATOM 0 HG21 VAL A 53 1.574 1.432 -2.813 1.00 0.21 H new ATOM 0 HG22 VAL A 53 2.731 0.508 -1.825 1.00 0.21 H new ATOM 0 HG23 VAL A 53 2.981 0.657 -3.581 1.00 0.21 H new ATOM 718 N GLN A 54 1.433 -4.130 -2.449 1.00 0.16 N ATOM 719 CA GLN A 54 0.803 -5.405 -2.748 1.00 0.16 C ATOM 720 C GLN A 54 -0.243 -5.748 -1.694 1.00 0.16 C ATOM 721 O GLN A 54 -0.237 -5.184 -0.603 1.00 0.24 O ATOM 722 CB GLN A 54 1.880 -6.489 -2.842 1.00 0.29 C ATOM 723 CG GLN A 54 2.752 -6.592 -1.601 1.00 0.68 C ATOM 724 CD GLN A 54 4.024 -7.392 -1.821 1.00 1.17 C ATOM 725 OE1 GLN A 54 4.522 -8.048 -0.904 1.00 2.12 O ATOM 726 NE2 GLN A 54 4.572 -7.332 -3.026 1.00 0.88 N ATOM 0 H GLN A 54 1.829 -4.063 -1.511 1.00 0.16 H new ATOM 0 HA GLN A 54 0.287 -5.341 -3.706 1.00 0.16 H new ATOM 0 HB2 GLN A 54 1.400 -7.451 -3.019 1.00 0.29 H new ATOM 0 HB3 GLN A 54 2.514 -6.285 -3.705 1.00 0.29 H new ATOM 0 HG2 GLN A 54 3.016 -5.588 -1.268 1.00 0.68 H new ATOM 0 HG3 GLN A 54 2.176 -7.053 -0.799 1.00 0.68 H new ATOM 0 HE21 GLN A 54 4.130 -6.778 -3.760 1.00 0.88 H new ATOM 0 HE22 GLN A 54 5.435 -7.840 -3.219 1.00 0.88 H new ATOM 735 N TRP A 55 -1.144 -6.663 -2.024 1.00 0.14 N ATOM 736 CA TRP A 55 -2.242 -6.998 -1.126 1.00 0.16 C ATOM 737 C TRP A 55 -2.660 -8.460 -1.235 1.00 0.17 C ATOM 738 O TRP A 55 -2.422 -9.123 -2.247 1.00 0.18 O ATOM 739 CB TRP A 55 -3.453 -6.088 -1.379 1.00 0.18 C ATOM 740 CG TRP A 55 -3.738 -5.827 -2.831 1.00 0.18 C ATOM 741 CD1 TRP A 55 -4.360 -6.659 -3.719 1.00 0.22 C ATOM 742 CD2 TRP A 55 -3.419 -4.637 -3.558 1.00 0.19 C ATOM 743 NE1 TRP A 55 -4.437 -6.057 -4.954 1.00 0.23 N ATOM 744 CE2 TRP A 55 -3.869 -4.814 -4.878 1.00 0.21 C ATOM 745 CE3 TRP A 55 -2.793 -3.440 -3.218 1.00 0.24 C ATOM 746 CZ2 TRP A 55 -3.713 -3.835 -5.857 1.00 0.24 C ATOM 747 CZ3 TRP A 55 -2.640 -2.468 -4.184 1.00 0.29 C ATOM 748 CH2 TRP A 55 -3.097 -2.668 -5.492 1.00 0.28 C ATOM 0 H TRP A 55 -1.138 -7.184 -2.901 1.00 0.14 H new ATOM 0 HA TRP A 55 -1.874 -6.836 -0.113 1.00 0.16 H new ATOM 0 HB2 TRP A 55 -4.334 -6.540 -0.924 1.00 0.18 H new ATOM 0 HB3 TRP A 55 -3.288 -5.135 -0.876 1.00 0.18 H new ATOM 0 HD1 TRP A 55 -4.736 -7.644 -3.486 1.00 0.22 H new ATOM 0 HE1 TRP A 55 -4.850 -6.470 -5.790 1.00 0.23 H new ATOM 0 HE3 TRP A 55 -2.433 -3.276 -2.213 1.00 0.24 H new ATOM 0 HZ2 TRP A 55 -4.065 -3.991 -6.866 1.00 0.24 H new ATOM 0 HZ3 TRP A 55 -2.159 -1.536 -3.927 1.00 0.29 H new ATOM 0 HH2 TRP A 55 -2.961 -1.888 -6.226 1.00 0.28 H new ATOM 759 N PHE A 56 -3.276 -8.946 -0.166 1.00 0.21 N ATOM 760 CA PHE A 56 -3.800 -10.301 -0.093 1.00 0.23 C ATOM 761 C PHE A 56 -5.319 -10.245 0.032 1.00 0.23 C ATOM 762 O PHE A 56 -5.844 -9.798 1.048 1.00 0.26 O ATOM 763 CB PHE A 56 -3.189 -11.032 1.107 1.00 0.26 C ATOM 764 CG PHE A 56 -1.685 -10.990 1.119 1.00 0.30 C ATOM 765 CD1 PHE A 56 -0.949 -11.866 0.340 1.00 0.45 C ATOM 766 CD2 PHE A 56 -1.011 -10.064 1.900 1.00 0.37 C ATOM 767 CE1 PHE A 56 0.432 -11.818 0.340 1.00 0.53 C ATOM 768 CE2 PHE A 56 0.368 -10.014 1.904 1.00 0.44 C ATOM 769 CZ PHE A 56 1.091 -10.891 1.122 1.00 0.48 C ATOM 0 H PHE A 56 -3.427 -8.403 0.684 1.00 0.21 H new ATOM 0 HA PHE A 56 -3.537 -10.847 -0.999 1.00 0.23 H new ATOM 0 HB2 PHE A 56 -3.567 -10.586 2.027 1.00 0.26 H new ATOM 0 HB3 PHE A 56 -3.518 -12.071 1.098 1.00 0.26 H new ATOM 0 HD1 PHE A 56 -1.459 -12.594 -0.274 1.00 0.45 H new ATOM 0 HD2 PHE A 56 -1.572 -9.374 2.513 1.00 0.37 H new ATOM 0 HE1 PHE A 56 0.996 -12.506 -0.272 1.00 0.53 H new ATOM 0 HE2 PHE A 56 0.881 -9.289 2.519 1.00 0.44 H new ATOM 0 HZ PHE A 56 2.170 -10.852 1.122 1.00 0.48 H new ATOM 779 N LYS A 57 -6.018 -10.690 -1.001 1.00 0.28 N ATOM 780 CA LYS A 57 -7.464 -10.503 -1.085 1.00 0.29 C ATOM 781 C LYS A 57 -8.225 -11.622 -0.387 1.00 0.35 C ATOM 782 O LYS A 57 -7.764 -12.764 -0.331 1.00 0.54 O ATOM 783 CB LYS A 57 -7.903 -10.443 -2.546 1.00 0.35 C ATOM 784 CG LYS A 57 -7.195 -9.383 -3.366 1.00 0.36 C ATOM 785 CD LYS A 57 -7.457 -9.589 -4.849 1.00 0.55 C ATOM 786 CE LYS A 57 -6.638 -8.640 -5.705 1.00 0.95 C ATOM 787 NZ LYS A 57 -6.848 -8.889 -7.155 1.00 1.20 N ATOM 0 H LYS A 57 -5.610 -11.184 -1.795 1.00 0.28 H new ATOM 0 HA LYS A 57 -7.695 -9.564 -0.582 1.00 0.29 H new ATOM 0 HB2 LYS A 57 -7.731 -11.416 -3.005 1.00 0.35 H new ATOM 0 HB3 LYS A 57 -8.977 -10.258 -2.584 1.00 0.35 H new ATOM 0 HG2 LYS A 57 -7.538 -8.393 -3.065 1.00 0.36 H new ATOM 0 HG3 LYS A 57 -6.123 -9.421 -3.172 1.00 0.36 H new ATOM 0 HD2 LYS A 57 -7.221 -10.618 -5.120 1.00 0.55 H new ATOM 0 HD3 LYS A 57 -8.517 -9.440 -5.055 1.00 0.55 H new ATOM 0 HE2 LYS A 57 -6.909 -7.611 -5.469 1.00 0.95 H new ATOM 0 HE3 LYS A 57 -5.581 -8.754 -5.465 1.00 0.95 H new ATOM 0 HZ1 LYS A 57 -6.273 -8.222 -7.709 1.00 1.20 H new ATOM 0 HZ2 LYS A 57 -6.566 -9.863 -7.384 1.00 1.20 H new ATOM 0 HZ3 LYS A 57 -7.853 -8.756 -7.388 1.00 1.20 H new ATOM 801 N GLY A 58 -9.395 -11.282 0.133 1.00 0.38 N ATOM 802 CA GLY A 58 -10.269 -12.272 0.722 1.00 0.48 C ATOM 803 C GLY A 58 -10.047 -12.416 2.206 1.00 0.73 C ATOM 804 O GLY A 58 -10.749 -11.800 3.013 1.00 1.35 O ATOM 0 H GLY A 58 -9.756 -10.328 0.157 1.00 0.38 H new ATOM 0 HA2 GLY A 58 -11.307 -11.994 0.537 1.00 0.48 H new ATOM 0 HA3 GLY A 58 -10.105 -13.234 0.237 1.00 0.48 H new ATOM 808 N LYS A 59 -9.072 -13.230 2.569 1.00 0.99 N ATOM 809 CA LYS A 59 -8.735 -13.432 3.964 1.00 1.48 C ATOM 810 C LYS A 59 -7.227 -13.573 4.120 1.00 1.81 C ATOM 811 O LYS A 59 -6.606 -12.842 4.889 1.00 2.63 O ATOM 812 CB LYS A 59 -9.447 -14.672 4.513 1.00 1.89 C ATOM 813 CG LYS A 59 -9.353 -14.816 6.026 1.00 2.69 C ATOM 814 CD LYS A 59 -10.023 -13.650 6.739 1.00 3.35 C ATOM 815 CE LYS A 59 -9.990 -13.826 8.247 1.00 4.22 C ATOM 816 NZ LYS A 59 -10.637 -12.692 8.956 1.00 4.98 N ATOM 0 H LYS A 59 -8.499 -13.762 1.914 1.00 0.99 H new ATOM 0 HA LYS A 59 -9.068 -12.565 4.534 1.00 1.48 H new ATOM 0 HB2 LYS A 59 -10.498 -14.633 4.226 1.00 1.89 H new ATOM 0 HB3 LYS A 59 -9.022 -15.560 4.046 1.00 1.89 H new ATOM 0 HG2 LYS A 59 -9.822 -15.750 6.334 1.00 2.69 H new ATOM 0 HG3 LYS A 59 -8.306 -14.872 6.323 1.00 2.69 H new ATOM 0 HD2 LYS A 59 -9.521 -12.721 6.469 1.00 3.35 H new ATOM 0 HD3 LYS A 59 -11.057 -13.563 6.404 1.00 3.35 H new ATOM 0 HE2 LYS A 59 -10.494 -14.755 8.514 1.00 4.22 H new ATOM 0 HE3 LYS A 59 -8.956 -13.918 8.578 1.00 4.22 H new ATOM 0 HZ1 LYS A 59 -10.592 -12.853 9.982 1.00 4.98 H new ATOM 0 HZ2 LYS A 59 -10.141 -11.808 8.722 1.00 4.98 H new ATOM 0 HZ3 LYS A 59 -11.631 -12.620 8.660 1.00 4.98 H new ATOM 830 N SER A 60 -6.642 -14.505 3.380 1.00 1.73 N ATOM 831 CA SER A 60 -5.206 -14.722 3.425 1.00 2.21 C ATOM 832 C SER A 60 -4.751 -15.557 2.235 1.00 1.61 C ATOM 833 O SER A 60 -4.973 -16.767 2.186 1.00 2.01 O ATOM 834 CB SER A 60 -4.805 -15.410 4.735 1.00 3.22 C ATOM 835 OG SER A 60 -3.393 -15.501 4.858 1.00 3.89 O ATOM 0 H SER A 60 -7.142 -15.123 2.741 1.00 1.73 H new ATOM 0 HA SER A 60 -4.715 -13.750 3.376 1.00 2.21 H new ATOM 0 HB2 SER A 60 -5.211 -14.853 5.580 1.00 3.22 H new ATOM 0 HB3 SER A 60 -5.241 -16.408 4.772 1.00 3.22 H new ATOM 0 HG SER A 60 -3.166 -15.942 5.703 1.00 3.89 H new ATOM 841 N THR A 61 -4.143 -14.897 1.264 1.00 1.47 N ATOM 842 CA THR A 61 -3.534 -15.578 0.134 1.00 1.55 C ATOM 843 C THR A 61 -2.018 -15.448 0.217 1.00 1.39 C ATOM 844 O THR A 61 -1.326 -15.398 -0.799 1.00 1.72 O ATOM 845 CB THR A 61 -4.029 -14.988 -1.200 1.00 2.37 C ATOM 846 OG1 THR A 61 -3.831 -13.566 -1.207 1.00 2.95 O ATOM 847 CG2 THR A 61 -5.502 -15.301 -1.423 1.00 2.95 C ATOM 0 H THR A 61 -4.058 -13.881 1.236 1.00 1.47 H new ATOM 0 HA THR A 61 -3.819 -16.629 0.172 1.00 1.55 H new ATOM 0 HB THR A 61 -3.455 -15.442 -2.008 1.00 2.37 H new ATOM 0 HG1 THR A 61 -4.699 -13.115 -1.158 1.00 2.95 H new ATOM 0 HG21 THR A 61 -5.825 -14.873 -2.372 1.00 2.95 H new ATOM 0 HG22 THR A 61 -5.645 -16.381 -1.445 1.00 2.95 H new ATOM 0 HG23 THR A 61 -6.092 -14.873 -0.612 1.00 2.95 H new ATOM 855 N ALA A 62 -1.518 -15.392 1.447 1.00 1.24 N ATOM 856 CA ALA A 62 -0.113 -15.136 1.712 1.00 1.29 C ATOM 857 C ALA A 62 0.780 -16.266 1.213 1.00 1.32 C ATOM 858 O ALA A 62 0.817 -17.349 1.799 1.00 1.69 O ATOM 859 CB ALA A 62 0.091 -14.917 3.199 1.00 1.53 C ATOM 0 H ALA A 62 -2.080 -15.524 2.288 1.00 1.24 H new ATOM 0 HA ALA A 62 0.174 -14.238 1.165 1.00 1.29 H new ATOM 0 HB1 ALA A 62 1.145 -14.725 3.397 1.00 1.53 H new ATOM 0 HB2 ALA A 62 -0.501 -14.062 3.525 1.00 1.53 H new ATOM 0 HB3 ALA A 62 -0.225 -15.806 3.744 1.00 1.53 H new ATOM 865 N GLY A 63 1.500 -15.987 0.128 1.00 1.20 N ATOM 866 CA GLY A 63 2.404 -16.958 -0.461 1.00 1.25 C ATOM 867 C GLY A 63 3.349 -17.594 0.528 1.00 1.40 C ATOM 868 O GLY A 63 3.982 -16.903 1.327 1.00 1.99 O ATOM 0 H GLY A 63 1.471 -15.091 -0.359 1.00 1.20 H new ATOM 0 HA2 GLY A 63 1.817 -17.740 -0.942 1.00 1.25 H new ATOM 0 HA3 GLY A 63 2.986 -16.470 -1.242 1.00 1.25 H new ATOM 872 N ALA A 64 3.433 -18.914 0.451 1.00 1.55 N ATOM 873 CA ALA A 64 4.291 -19.721 1.321 1.00 1.66 C ATOM 874 C ALA A 64 4.174 -19.334 2.796 1.00 1.67 C ATOM 875 O ALA A 64 5.154 -19.428 3.538 1.00 1.74 O ATOM 876 CB ALA A 64 5.738 -19.629 0.867 1.00 1.76 C ATOM 0 H ALA A 64 2.903 -19.466 -0.224 1.00 1.55 H new ATOM 0 HA ALA A 64 3.946 -20.751 1.236 1.00 1.66 H new ATOM 0 HB1 ALA A 64 6.364 -20.234 1.523 1.00 1.76 H new ATOM 0 HB2 ALA A 64 5.823 -19.997 -0.156 1.00 1.76 H new ATOM 0 HB3 ALA A 64 6.067 -18.591 0.908 1.00 1.76 H new ATOM 882 N GLN A 65 2.979 -18.886 3.203 1.00 1.68 N ATOM 883 CA GLN A 65 2.677 -18.538 4.602 1.00 1.79 C ATOM 884 C GLN A 65 3.360 -17.242 5.037 1.00 1.70 C ATOM 885 O GLN A 65 2.754 -16.415 5.719 1.00 1.80 O ATOM 886 CB GLN A 65 3.070 -19.677 5.550 1.00 2.01 C ATOM 887 CG GLN A 65 2.445 -21.015 5.194 1.00 2.23 C ATOM 888 CD GLN A 65 0.933 -20.973 5.218 1.00 2.86 C ATOM 889 OE1 GLN A 65 0.313 -21.196 6.258 1.00 3.24 O ATOM 890 NE2 GLN A 65 0.330 -20.708 4.071 1.00 3.33 N ATOM 0 H GLN A 65 2.190 -18.753 2.570 1.00 1.68 H new ATOM 0 HA GLN A 65 1.600 -18.382 4.658 1.00 1.79 H new ATOM 0 HB2 GLN A 65 4.155 -19.781 5.547 1.00 2.01 H new ATOM 0 HB3 GLN A 65 2.778 -19.409 6.565 1.00 2.01 H new ATOM 0 HG2 GLN A 65 2.781 -21.317 4.202 1.00 2.23 H new ATOM 0 HG3 GLN A 65 2.795 -21.774 5.894 1.00 2.23 H new ATOM 0 HE21 GLN A 65 0.884 -20.529 3.233 1.00 3.33 H new ATOM 0 HE22 GLN A 65 -0.689 -20.682 4.024 1.00 3.33 H new ATOM 899 N ASP A 66 4.609 -17.060 4.627 1.00 1.62 N ATOM 900 CA ASP A 66 5.379 -15.873 4.990 1.00 1.65 C ATOM 901 C ASP A 66 4.976 -14.683 4.135 1.00 1.49 C ATOM 902 O ASP A 66 5.657 -13.657 4.115 1.00 1.59 O ATOM 903 CB ASP A 66 6.880 -16.128 4.836 1.00 1.78 C ATOM 904 CG ASP A 66 7.380 -17.230 5.742 1.00 2.25 C ATOM 905 OD1 ASP A 66 7.596 -16.965 6.945 1.00 2.32 O ATOM 906 OD2 ASP A 66 7.561 -18.366 5.262 1.00 2.86 O ATOM 0 H ASP A 66 5.114 -17.723 4.039 1.00 1.62 H new ATOM 0 HA ASP A 66 5.163 -15.648 6.034 1.00 1.65 H new ATOM 0 HB2 ASP A 66 7.096 -16.389 3.800 1.00 1.78 H new ATOM 0 HB3 ASP A 66 7.425 -15.209 5.053 1.00 1.78 H new ATOM 911 N ARG A 67 3.856 -14.841 3.431 1.00 1.32 N ATOM 912 CA ARG A 67 3.281 -13.795 2.595 1.00 1.23 C ATOM 913 C ARG A 67 4.258 -13.412 1.489 1.00 1.18 C ATOM 914 O ARG A 67 4.627 -12.249 1.333 1.00 1.31 O ATOM 915 CB ARG A 67 2.891 -12.571 3.438 1.00 1.40 C ATOM 916 CG ARG A 67 2.438 -12.903 4.856 1.00 1.60 C ATOM 917 CD ARG A 67 2.163 -11.646 5.664 1.00 1.84 C ATOM 918 NE ARG A 67 3.362 -10.826 5.843 1.00 2.26 N ATOM 919 CZ ARG A 67 3.456 -9.831 6.725 1.00 2.61 C ATOM 920 NH1 ARG A 67 2.423 -9.536 7.505 1.00 2.62 N ATOM 921 NH2 ARG A 67 4.584 -9.137 6.830 1.00 3.34 N ATOM 0 H ARG A 67 3.319 -15.708 3.427 1.00 1.32 H new ATOM 0 HA ARG A 67 2.371 -14.179 2.133 1.00 1.23 H new ATOM 0 HB2 ARG A 67 3.744 -11.894 3.491 1.00 1.40 H new ATOM 0 HB3 ARG A 67 2.090 -12.035 2.929 1.00 1.40 H new ATOM 0 HG2 ARG A 67 1.537 -13.515 4.817 1.00 1.60 H new ATOM 0 HG3 ARG A 67 3.205 -13.496 5.354 1.00 1.60 H new ATOM 0 HD2 ARG A 67 1.394 -11.057 5.164 1.00 1.84 H new ATOM 0 HD3 ARG A 67 1.767 -11.924 6.641 1.00 1.84 H new ATOM 0 HE ARG A 67 4.173 -11.028 5.259 1.00 2.26 H new ATOM 0 HH11 ARG A 67 1.558 -10.071 7.429 1.00 2.62 H new ATOM 0 HH12 ARG A 67 2.495 -8.775 8.180 1.00 2.62 H new ATOM 0 HH21 ARG A 67 5.380 -9.365 6.235 1.00 3.34 H new ATOM 0 HH22 ARG A 67 4.654 -8.376 7.506 1.00 3.34 H new ATOM 935 N LYS A 68 4.666 -14.412 0.721 1.00 1.12 N ATOM 936 CA LYS A 68 5.653 -14.235 -0.331 1.00 1.16 C ATOM 937 C LYS A 68 4.957 -13.947 -1.653 1.00 0.99 C ATOM 938 O LYS A 68 5.534 -13.353 -2.566 1.00 1.10 O ATOM 939 CB LYS A 68 6.488 -15.511 -0.458 1.00 1.39 C ATOM 940 CG LYS A 68 7.778 -15.332 -1.235 1.00 1.77 C ATOM 941 CD LYS A 68 8.880 -14.746 -0.367 1.00 2.01 C ATOM 942 CE LYS A 68 9.334 -15.722 0.715 1.00 2.02 C ATOM 943 NZ LYS A 68 9.917 -16.966 0.145 1.00 2.24 N ATOM 0 H LYS A 68 4.322 -15.368 0.811 1.00 1.12 H new ATOM 0 HA LYS A 68 6.301 -13.395 -0.081 1.00 1.16 H new ATOM 0 HB2 LYS A 68 6.726 -15.878 0.541 1.00 1.39 H new ATOM 0 HB3 LYS A 68 5.887 -16.279 -0.945 1.00 1.39 H new ATOM 0 HG2 LYS A 68 8.100 -16.295 -1.632 1.00 1.77 H new ATOM 0 HG3 LYS A 68 7.601 -14.678 -2.089 1.00 1.77 H new ATOM 0 HD2 LYS A 68 9.731 -14.477 -0.993 1.00 2.01 H new ATOM 0 HD3 LYS A 68 8.525 -13.827 0.099 1.00 2.01 H new ATOM 0 HE2 LYS A 68 10.073 -15.236 1.352 1.00 2.02 H new ATOM 0 HE3 LYS A 68 8.485 -15.979 1.349 1.00 2.02 H new ATOM 0 HZ1 LYS A 68 10.435 -17.478 0.887 1.00 2.24 H new ATOM 0 HZ2 LYS A 68 9.155 -17.569 -0.224 1.00 2.24 H new ATOM 0 HZ3 LYS A 68 10.570 -16.722 -0.627 1.00 2.24 H new ATOM 957 N LYS A 69 3.705 -14.362 -1.733 1.00 0.90 N ATOM 958 CA LYS A 69 2.934 -14.260 -2.957 1.00 0.80 C ATOM 959 C LYS A 69 1.671 -13.451 -2.706 1.00 0.61 C ATOM 960 O LYS A 69 0.740 -13.934 -2.067 1.00 0.61 O ATOM 961 CB LYS A 69 2.559 -15.660 -3.467 1.00 0.99 C ATOM 962 CG LYS A 69 2.088 -15.702 -4.920 1.00 1.06 C ATOM 963 CD LYS A 69 3.242 -15.755 -5.921 1.00 1.68 C ATOM 964 CE LYS A 69 4.014 -14.446 -5.998 1.00 2.17 C ATOM 965 NZ LYS A 69 4.982 -14.436 -7.125 1.00 2.92 N ATOM 0 H LYS A 69 3.196 -14.778 -0.953 1.00 0.90 H new ATOM 0 HA LYS A 69 3.539 -13.759 -3.712 1.00 0.80 H new ATOM 0 HB2 LYS A 69 3.424 -16.315 -3.360 1.00 0.99 H new ATOM 0 HB3 LYS A 69 1.771 -16.065 -2.832 1.00 0.99 H new ATOM 0 HG2 LYS A 69 1.449 -16.573 -5.064 1.00 1.06 H new ATOM 0 HG3 LYS A 69 1.478 -14.822 -5.124 1.00 1.06 H new ATOM 0 HD2 LYS A 69 3.924 -16.558 -5.641 1.00 1.68 H new ATOM 0 HD3 LYS A 69 2.850 -15.999 -6.908 1.00 1.68 H new ATOM 0 HE2 LYS A 69 3.314 -13.619 -6.114 1.00 2.17 H new ATOM 0 HE3 LYS A 69 4.547 -14.284 -5.061 1.00 2.17 H new ATOM 0 HZ1 LYS A 69 5.486 -13.527 -7.141 1.00 2.92 H new ATOM 0 HZ2 LYS A 69 5.666 -15.209 -7.002 1.00 2.92 H new ATOM 0 HZ3 LYS A 69 4.472 -14.565 -8.022 1.00 2.92 H new ATOM 979 N PRO A 70 1.642 -12.198 -3.164 1.00 0.51 N ATOM 980 CA PRO A 70 0.461 -11.346 -3.069 1.00 0.39 C ATOM 981 C PRO A 70 -0.613 -11.752 -4.072 1.00 0.32 C ATOM 982 O PRO A 70 -0.357 -12.525 -4.994 1.00 0.40 O ATOM 983 CB PRO A 70 0.989 -9.942 -3.393 1.00 0.40 C ATOM 984 CG PRO A 70 2.476 -10.067 -3.435 1.00 0.53 C ATOM 985 CD PRO A 70 2.762 -11.492 -3.791 1.00 0.59 C ATOM 0 HA PRO A 70 -0.010 -11.414 -2.088 1.00 0.39 H new ATOM 0 HB2 PRO A 70 0.599 -9.588 -4.347 1.00 0.40 H new ATOM 0 HB3 PRO A 70 0.678 -9.223 -2.635 1.00 0.40 H new ATOM 0 HG2 PRO A 70 2.904 -9.388 -4.172 1.00 0.53 H new ATOM 0 HG3 PRO A 70 2.916 -9.810 -2.472 1.00 0.53 H new ATOM 0 HD2 PRO A 70 2.787 -11.645 -4.870 1.00 0.59 H new ATOM 0 HD3 PRO A 70 3.723 -11.824 -3.399 1.00 0.59 H new ATOM 993 N SER A 71 -1.815 -11.231 -3.883 1.00 0.28 N ATOM 994 CA SER A 71 -2.922 -11.517 -4.782 1.00 0.31 C ATOM 995 C SER A 71 -3.101 -10.350 -5.754 1.00 0.28 C ATOM 996 O SER A 71 -4.029 -10.317 -6.562 1.00 0.40 O ATOM 997 CB SER A 71 -4.199 -11.758 -3.972 1.00 0.41 C ATOM 998 OG SER A 71 -5.242 -12.276 -4.778 1.00 1.02 O ATOM 0 H SER A 71 -2.049 -10.606 -3.112 1.00 0.28 H new ATOM 0 HA SER A 71 -2.709 -12.418 -5.357 1.00 0.31 H new ATOM 0 HB2 SER A 71 -3.988 -12.453 -3.159 1.00 0.41 H new ATOM 0 HB3 SER A 71 -4.522 -10.822 -3.516 1.00 0.41 H new ATOM 0 HG SER A 71 -5.325 -11.736 -5.592 1.00 1.02 H new ATOM 1004 N GLY A 72 -2.192 -9.393 -5.656 1.00 0.24 N ATOM 1005 CA GLY A 72 -2.220 -8.229 -6.511 1.00 0.23 C ATOM 1006 C GLY A 72 -1.235 -7.192 -6.031 1.00 0.22 C ATOM 1007 O GLY A 72 -0.588 -7.389 -4.999 1.00 0.26 O ATOM 0 H GLY A 72 -1.423 -9.405 -4.986 1.00 0.24 H new ATOM 0 HA2 GLY A 72 -1.982 -8.518 -7.535 1.00 0.23 H new ATOM 0 HA3 GLY A 72 -3.224 -7.805 -6.524 1.00 0.23 H new ATOM 1011 N GLY A 73 -1.110 -6.098 -6.759 1.00 0.24 N ATOM 1012 CA GLY A 73 -0.187 -5.062 -6.358 1.00 0.29 C ATOM 1013 C GLY A 73 0.350 -4.263 -7.525 1.00 0.27 C ATOM 1014 O GLY A 73 0.361 -4.736 -8.662 1.00 0.40 O ATOM 0 H GLY A 73 -1.628 -5.908 -7.617 1.00 0.24 H new ATOM 0 HA2 GLY A 73 -0.687 -4.388 -5.663 1.00 0.29 H new ATOM 0 HA3 GLY A 73 0.646 -5.514 -5.820 1.00 0.29 H new ATOM 1018 N PHE A 74 0.808 -3.057 -7.232 1.00 0.20 N ATOM 1019 CA PHE A 74 1.344 -2.163 -8.246 1.00 0.19 C ATOM 1020 C PHE A 74 2.593 -1.468 -7.714 1.00 0.19 C ATOM 1021 O PHE A 74 2.730 -1.271 -6.505 1.00 0.19 O ATOM 1022 CB PHE A 74 0.291 -1.127 -8.678 1.00 0.18 C ATOM 1023 CG PHE A 74 -0.121 -0.138 -7.611 1.00 0.17 C ATOM 1024 CD1 PHE A 74 -0.556 -0.589 -6.377 1.00 0.20 C ATOM 1025 CD2 PHE A 74 -0.064 1.230 -7.827 1.00 0.17 C ATOM 1026 CE1 PHE A 74 -0.923 0.297 -5.385 1.00 0.21 C ATOM 1027 CE2 PHE A 74 -0.434 2.121 -6.837 1.00 0.18 C ATOM 1028 CZ PHE A 74 -0.895 1.711 -5.682 1.00 0.18 C ATOM 0 H PHE A 74 0.819 -2.671 -6.288 1.00 0.20 H new ATOM 0 HA PHE A 74 1.612 -2.752 -9.123 1.00 0.19 H new ATOM 0 HB2 PHE A 74 0.680 -0.573 -9.532 1.00 0.18 H new ATOM 0 HB3 PHE A 74 -0.597 -1.658 -9.020 1.00 0.18 H new ATOM 0 HD1 PHE A 74 -0.609 -1.651 -6.188 1.00 0.20 H new ATOM 0 HD2 PHE A 74 0.274 1.605 -8.782 1.00 0.17 H new ATOM 0 HE1 PHE A 74 -1.224 -0.058 -4.410 1.00 0.21 H new ATOM 0 HE2 PHE A 74 -0.341 3.181 -7.021 1.00 0.18 H new ATOM 0 HZ PHE A 74 -1.252 2.426 -4.955 1.00 0.18 H new ATOM 1038 N PRO A 75 3.527 -1.106 -8.605 1.00 0.20 N ATOM 1039 CA PRO A 75 4.794 -0.481 -8.214 1.00 0.20 C ATOM 1040 C PRO A 75 4.601 0.885 -7.565 1.00 0.19 C ATOM 1041 O PRO A 75 3.745 1.672 -7.971 1.00 0.20 O ATOM 1042 CB PRO A 75 5.543 -0.317 -9.533 1.00 0.23 C ATOM 1043 CG PRO A 75 4.860 -1.218 -10.499 1.00 0.25 C ATOM 1044 CD PRO A 75 3.427 -1.264 -10.064 1.00 0.22 C ATOM 0 HA PRO A 75 5.318 -1.086 -7.474 1.00 0.20 H new ATOM 0 HB2 PRO A 75 5.513 0.718 -9.874 1.00 0.23 H new ATOM 0 HB3 PRO A 75 6.594 -0.586 -9.423 1.00 0.23 H new ATOM 0 HG2 PRO A 75 4.948 -0.840 -11.517 1.00 0.25 H new ATOM 0 HG3 PRO A 75 5.305 -2.213 -10.489 1.00 0.25 H new ATOM 0 HD2 PRO A 75 2.840 -0.466 -10.518 1.00 0.22 H new ATOM 0 HD3 PRO A 75 2.951 -2.205 -10.338 1.00 0.22 H new ATOM 1052 N VAL A 76 5.443 1.160 -6.577 1.00 0.19 N ATOM 1053 CA VAL A 76 5.347 2.369 -5.771 1.00 0.18 C ATOM 1054 C VAL A 76 5.747 3.612 -6.559 1.00 0.19 C ATOM 1055 O VAL A 76 5.138 4.671 -6.422 1.00 0.19 O ATOM 1056 CB VAL A 76 6.230 2.246 -4.514 1.00 0.21 C ATOM 1057 CG1 VAL A 76 6.349 3.575 -3.795 1.00 0.30 C ATOM 1058 CG2 VAL A 76 5.667 1.195 -3.577 1.00 0.25 C ATOM 0 H VAL A 76 6.215 0.548 -6.312 1.00 0.19 H new ATOM 0 HA VAL A 76 4.303 2.479 -5.476 1.00 0.18 H new ATOM 0 HB VAL A 76 7.227 1.942 -4.833 1.00 0.21 H new ATOM 0 HG11 VAL A 76 6.978 3.456 -2.913 1.00 0.30 H new ATOM 0 HG12 VAL A 76 6.796 4.311 -4.463 1.00 0.30 H new ATOM 0 HG13 VAL A 76 5.359 3.915 -3.492 1.00 0.30 H new ATOM 0 HG21 VAL A 76 6.301 1.119 -2.693 1.00 0.25 H new ATOM 0 HG22 VAL A 76 4.658 1.478 -3.277 1.00 0.25 H new ATOM 0 HG23 VAL A 76 5.637 0.232 -4.086 1.00 0.25 H new ATOM 1068 N ASP A 77 6.763 3.480 -7.392 1.00 0.21 N ATOM 1069 CA ASP A 77 7.245 4.605 -8.183 1.00 0.24 C ATOM 1070 C ASP A 77 6.274 4.909 -9.324 1.00 0.23 C ATOM 1071 O ASP A 77 6.311 5.979 -9.929 1.00 0.30 O ATOM 1072 CB ASP A 77 8.644 4.299 -8.724 1.00 0.31 C ATOM 1073 CG ASP A 77 9.229 5.434 -9.545 1.00 0.73 C ATOM 1074 OD1 ASP A 77 9.563 6.487 -8.961 1.00 0.77 O ATOM 1075 OD2 ASP A 77 9.349 5.284 -10.778 1.00 1.29 O ATOM 0 H ASP A 77 7.272 2.608 -7.540 1.00 0.21 H new ATOM 0 HA ASP A 77 7.304 5.488 -7.547 1.00 0.24 H new ATOM 0 HB2 ASP A 77 9.310 4.082 -7.889 1.00 0.31 H new ATOM 0 HB3 ASP A 77 8.600 3.400 -9.338 1.00 0.31 H new ATOM 1080 N LYS A 78 5.379 3.964 -9.591 1.00 0.19 N ATOM 1081 CA LYS A 78 4.411 4.110 -10.669 1.00 0.20 C ATOM 1082 C LYS A 78 3.104 4.727 -10.165 1.00 0.17 C ATOM 1083 O LYS A 78 2.202 5.020 -10.954 1.00 0.18 O ATOM 1084 CB LYS A 78 4.132 2.759 -11.337 1.00 0.22 C ATOM 1085 CG LYS A 78 5.152 2.356 -12.403 1.00 0.28 C ATOM 1086 CD LYS A 78 6.541 2.124 -11.829 1.00 0.34 C ATOM 1087 CE LYS A 78 7.544 1.771 -12.914 1.00 0.47 C ATOM 1088 NZ LYS A 78 7.248 0.463 -13.557 1.00 1.54 N ATOM 0 H LYS A 78 5.305 3.088 -9.074 1.00 0.19 H new ATOM 0 HA LYS A 78 4.844 4.785 -11.408 1.00 0.20 H new ATOM 0 HB2 LYS A 78 4.104 1.987 -10.568 1.00 0.22 H new ATOM 0 HB3 LYS A 78 3.142 2.791 -11.793 1.00 0.22 H new ATOM 0 HG2 LYS A 78 4.812 1.447 -12.900 1.00 0.28 H new ATOM 0 HG3 LYS A 78 5.203 3.135 -13.164 1.00 0.28 H new ATOM 0 HD2 LYS A 78 6.872 3.020 -11.304 1.00 0.34 H new ATOM 0 HD3 LYS A 78 6.502 1.320 -11.094 1.00 0.34 H new ATOM 0 HE2 LYS A 78 7.545 2.554 -13.673 1.00 0.47 H new ATOM 0 HE3 LYS A 78 8.545 1.743 -12.484 1.00 0.47 H new ATOM 0 HZ1 LYS A 78 8.030 0.203 -14.191 1.00 1.54 H new ATOM 0 HZ2 LYS A 78 7.139 -0.267 -12.824 1.00 1.54 H new ATOM 0 HZ3 LYS A 78 6.368 0.537 -14.106 1.00 1.54 H new ATOM 1102 N ILE A 79 3.000 4.915 -8.855 1.00 0.18 N ATOM 1103 CA ILE A 79 1.847 5.593 -8.274 1.00 0.16 C ATOM 1104 C ILE A 79 1.827 7.044 -8.740 1.00 0.18 C ATOM 1105 O ILE A 79 2.808 7.769 -8.568 1.00 0.26 O ATOM 1106 CB ILE A 79 1.875 5.562 -6.730 1.00 0.17 C ATOM 1107 CG1 ILE A 79 2.114 4.136 -6.227 1.00 0.18 C ATOM 1108 CG2 ILE A 79 0.575 6.119 -6.164 1.00 0.18 C ATOM 1109 CD1 ILE A 79 2.063 4.004 -4.720 1.00 0.19 C ATOM 0 H ILE A 79 3.697 4.609 -8.177 1.00 0.18 H new ATOM 0 HA ILE A 79 0.952 5.068 -8.606 1.00 0.16 H new ATOM 0 HB ILE A 79 2.697 6.189 -6.386 1.00 0.17 H new ATOM 0 HG12 ILE A 79 1.366 3.476 -6.666 1.00 0.18 H new ATOM 0 HG13 ILE A 79 3.087 3.794 -6.580 1.00 0.18 H new ATOM 0 HG21 ILE A 79 0.610 6.090 -5.075 1.00 0.18 H new ATOM 0 HG22 ILE A 79 0.446 7.149 -6.496 1.00 0.18 H new ATOM 0 HG23 ILE A 79 -0.263 5.517 -6.516 1.00 0.18 H new ATOM 0 HD11 ILE A 79 2.241 2.966 -4.439 1.00 0.19 H new ATOM 0 HD12 ILE A 79 2.829 4.637 -4.273 1.00 0.19 H new ATOM 0 HD13 ILE A 79 1.082 4.314 -4.361 1.00 0.19 H new ATOM 1121 N THR A 80 0.721 7.469 -9.335 1.00 0.15 N ATOM 1122 CA THR A 80 0.653 8.803 -9.903 1.00 0.18 C ATOM 1123 C THR A 80 0.220 9.823 -8.854 1.00 0.21 C ATOM 1124 O THR A 80 0.612 10.988 -8.919 1.00 0.28 O ATOM 1125 CB THR A 80 -0.288 8.872 -11.128 1.00 0.20 C ATOM 1126 OG1 THR A 80 -0.162 10.140 -11.787 1.00 0.27 O ATOM 1127 CG2 THR A 80 -1.740 8.649 -10.739 1.00 0.18 C ATOM 0 H THR A 80 -0.130 6.916 -9.435 1.00 0.15 H new ATOM 0 HA THR A 80 1.659 9.048 -10.244 1.00 0.18 H new ATOM 0 HB THR A 80 0.011 8.073 -11.807 1.00 0.20 H new ATOM 0 HG1 THR A 80 -0.763 10.168 -12.561 1.00 0.27 H new ATOM 0 HG21 THR A 80 -2.368 8.705 -11.628 1.00 0.18 H new ATOM 0 HG22 THR A 80 -1.847 7.666 -10.281 1.00 0.18 H new ATOM 0 HG23 THR A 80 -2.048 9.416 -10.028 1.00 0.18 H new ATOM 1135 N SER A 81 -0.588 9.392 -7.888 1.00 0.18 N ATOM 1136 CA SER A 81 -1.079 10.293 -6.854 1.00 0.21 C ATOM 1137 C SER A 81 -1.514 9.525 -5.608 1.00 0.17 C ATOM 1138 O SER A 81 -2.181 8.493 -5.703 1.00 0.19 O ATOM 1139 CB SER A 81 -2.260 11.118 -7.379 1.00 0.30 C ATOM 1140 OG SER A 81 -1.907 11.844 -8.547 1.00 0.88 O ATOM 0 H SER A 81 -0.914 8.429 -7.802 1.00 0.18 H new ATOM 0 HA SER A 81 -0.259 10.959 -6.584 1.00 0.21 H new ATOM 0 HB2 SER A 81 -3.098 10.457 -7.599 1.00 0.30 H new ATOM 0 HB3 SER A 81 -2.594 11.810 -6.606 1.00 0.30 H new ATOM 0 HG SER A 81 -0.932 11.926 -8.599 1.00 0.88 H new ATOM 1146 N VAL A 82 -1.129 10.043 -4.452 1.00 0.20 N ATOM 1147 CA VAL A 82 -1.581 9.521 -3.177 1.00 0.21 C ATOM 1148 C VAL A 82 -2.370 10.610 -2.462 1.00 0.21 C ATOM 1149 O VAL A 82 -1.820 11.613 -1.998 1.00 0.24 O ATOM 1150 CB VAL A 82 -0.404 9.028 -2.298 1.00 0.27 C ATOM 1151 CG1 VAL A 82 0.661 10.103 -2.150 1.00 1.36 C ATOM 1152 CG2 VAL A 82 -0.905 8.572 -0.932 1.00 1.01 C ATOM 0 H VAL A 82 -0.494 10.837 -4.374 1.00 0.20 H new ATOM 0 HA VAL A 82 -2.215 8.653 -3.357 1.00 0.21 H new ATOM 0 HB VAL A 82 0.052 8.174 -2.799 1.00 0.27 H new ATOM 0 HG11 VAL A 82 1.473 9.727 -1.528 1.00 1.36 H new ATOM 0 HG12 VAL A 82 1.050 10.368 -3.133 1.00 1.36 H new ATOM 0 HG13 VAL A 82 0.225 10.986 -1.682 1.00 1.36 H new ATOM 0 HG21 VAL A 82 -0.062 8.230 -0.331 1.00 1.01 H new ATOM 0 HG22 VAL A 82 -1.396 9.405 -0.428 1.00 1.01 H new ATOM 0 HG23 VAL A 82 -1.615 7.755 -1.059 1.00 1.01 H new ATOM 1162 N LYS A 83 -3.667 10.426 -2.427 1.00 0.21 N ATOM 1163 CA LYS A 83 -4.566 11.441 -1.936 1.00 0.23 C ATOM 1164 C LYS A 83 -5.614 10.849 -1.010 1.00 0.22 C ATOM 1165 O LYS A 83 -5.754 9.633 -0.886 1.00 0.21 O ATOM 1166 CB LYS A 83 -5.229 12.108 -3.132 1.00 0.30 C ATOM 1167 CG LYS A 83 -5.710 11.099 -4.158 1.00 0.80 C ATOM 1168 CD LYS A 83 -5.685 11.637 -5.562 1.00 0.55 C ATOM 1169 CE LYS A 83 -6.429 10.710 -6.509 1.00 1.14 C ATOM 1170 NZ LYS A 83 -6.467 11.232 -7.902 1.00 1.70 N ATOM 0 H LYS A 83 -4.128 9.571 -2.737 1.00 0.21 H new ATOM 0 HA LYS A 83 -4.004 12.174 -1.358 1.00 0.23 H new ATOM 0 HB2 LYS A 83 -6.073 12.706 -2.790 1.00 0.30 H new ATOM 0 HB3 LYS A 83 -4.523 12.793 -3.602 1.00 0.30 H new ATOM 0 HG2 LYS A 83 -5.085 10.207 -4.104 1.00 0.80 H new ATOM 0 HG3 LYS A 83 -6.726 10.792 -3.910 1.00 0.80 H new ATOM 0 HD2 LYS A 83 -6.139 12.628 -5.585 1.00 0.55 H new ATOM 0 HD3 LYS A 83 -4.653 11.751 -5.894 1.00 0.55 H new ATOM 0 HE2 LYS A 83 -5.951 9.730 -6.504 1.00 1.14 H new ATOM 0 HE3 LYS A 83 -7.448 10.569 -6.149 1.00 1.14 H new ATOM 0 HZ1 LYS A 83 -6.361 10.443 -8.571 1.00 1.70 H new ATOM 0 HZ2 LYS A 83 -7.376 11.709 -8.069 1.00 1.70 H new ATOM 0 HZ3 LYS A 83 -5.690 11.910 -8.040 1.00 1.70 H new ATOM 1184 N SER A 84 -6.315 11.719 -0.330 1.00 0.26 N ATOM 1185 CA SER A 84 -7.435 11.317 0.484 1.00 0.26 C ATOM 1186 C SER A 84 -8.642 12.169 0.119 1.00 0.29 C ATOM 1187 O SER A 84 -8.492 13.282 -0.392 1.00 0.32 O ATOM 1188 CB SER A 84 -7.084 11.445 1.967 1.00 0.30 C ATOM 1189 OG SER A 84 -6.725 12.774 2.298 1.00 0.72 O ATOM 0 H SER A 84 -6.128 12.722 -0.324 1.00 0.26 H new ATOM 0 HA SER A 84 -7.677 10.271 0.297 1.00 0.26 H new ATOM 0 HB2 SER A 84 -7.936 11.135 2.573 1.00 0.30 H new ATOM 0 HB3 SER A 84 -6.260 10.773 2.207 1.00 0.30 H new ATOM 0 HG SER A 84 -6.508 12.826 3.252 1.00 0.72 H new ATOM 1195 N GLN A 85 -9.830 11.626 0.334 1.00 0.30 N ATOM 1196 CA GLN A 85 -11.069 12.332 0.019 1.00 0.37 C ATOM 1197 C GLN A 85 -11.185 13.630 0.821 1.00 0.44 C ATOM 1198 O GLN A 85 -10.434 13.837 1.770 1.00 0.47 O ATOM 1199 CB GLN A 85 -12.266 11.426 0.295 1.00 0.37 C ATOM 1200 CG GLN A 85 -12.886 10.821 -0.953 1.00 0.41 C ATOM 1201 CD GLN A 85 -12.013 9.768 -1.607 1.00 0.39 C ATOM 1202 OE1 GLN A 85 -12.034 9.599 -2.824 1.00 0.46 O ATOM 1203 NE2 GLN A 85 -11.259 9.031 -0.806 1.00 0.34 N ATOM 0 H GLN A 85 -9.966 10.695 0.727 1.00 0.30 H new ATOM 0 HA GLN A 85 -11.056 12.595 -1.039 1.00 0.37 H new ATOM 0 HB2 GLN A 85 -11.953 10.621 0.959 1.00 0.37 H new ATOM 0 HB3 GLN A 85 -13.027 11.999 0.825 1.00 0.37 H new ATOM 0 HG2 GLN A 85 -13.847 10.376 -0.694 1.00 0.41 H new ATOM 0 HG3 GLN A 85 -13.086 11.615 -1.672 1.00 0.41 H new ATOM 0 HE21 GLN A 85 -11.267 9.200 0.200 1.00 0.34 H new ATOM 0 HE22 GLN A 85 -10.670 8.295 -1.195 1.00 0.34 H new ATOM 1212 N ALA A 86 -12.127 14.492 0.444 1.00 0.52 N ATOM 1213 CA ALA A 86 -12.256 15.817 1.058 1.00 0.61 C ATOM 1214 C ALA A 86 -12.341 15.733 2.582 1.00 0.67 C ATOM 1215 O ALA A 86 -11.656 16.471 3.295 1.00 0.72 O ATOM 1216 CB ALA A 86 -13.477 16.528 0.499 1.00 0.71 C ATOM 0 H ALA A 86 -12.814 14.299 -0.284 1.00 0.52 H new ATOM 0 HA ALA A 86 -11.360 16.387 0.814 1.00 0.61 H new ATOM 0 HB1 ALA A 86 -13.567 17.512 0.959 1.00 0.71 H new ATOM 0 HB2 ALA A 86 -13.370 16.640 -0.580 1.00 0.71 H new ATOM 0 HB3 ALA A 86 -14.370 15.942 0.716 1.00 0.71 H new ATOM 1222 N ASP A 87 -13.160 14.822 3.076 1.00 0.71 N ATOM 1223 CA ASP A 87 -13.243 14.566 4.508 1.00 0.80 C ATOM 1224 C ASP A 87 -12.701 13.177 4.810 1.00 0.65 C ATOM 1225 O ASP A 87 -12.257 12.905 5.923 1.00 0.69 O ATOM 1226 CB ASP A 87 -14.691 14.692 4.996 1.00 0.98 C ATOM 1227 CG ASP A 87 -14.869 14.245 6.437 1.00 1.32 C ATOM 1228 OD1 ASP A 87 -14.764 15.091 7.350 1.00 1.59 O ATOM 1229 OD2 ASP A 87 -15.125 13.045 6.666 1.00 1.50 O ATOM 0 H ASP A 87 -13.780 14.244 2.508 1.00 0.71 H new ATOM 0 HA ASP A 87 -12.642 15.307 5.035 1.00 0.80 H new ATOM 0 HB2 ASP A 87 -15.013 15.729 4.900 1.00 0.98 H new ATOM 0 HB3 ASP A 87 -15.339 14.096 4.353 1.00 0.98 H new ATOM 1234 N ASN A 88 -12.709 12.328 3.777 1.00 0.50 N ATOM 1235 CA ASN A 88 -12.139 10.974 3.827 1.00 0.37 C ATOM 1236 C ASN A 88 -12.375 10.277 5.164 1.00 0.39 C ATOM 1237 O ASN A 88 -11.431 9.787 5.785 1.00 0.44 O ATOM 1238 CB ASN A 88 -10.634 10.986 3.483 1.00 0.36 C ATOM 1239 CG ASN A 88 -9.761 11.775 4.456 1.00 0.49 C ATOM 1240 OD1 ASN A 88 -9.241 11.233 5.432 1.00 1.10 O ATOM 1241 ND2 ASN A 88 -9.573 13.055 4.181 1.00 1.14 N ATOM 0 H ASN A 88 -13.116 12.563 2.872 1.00 0.50 H new ATOM 0 HA ASN A 88 -12.668 10.396 3.069 1.00 0.37 H new ATOM 0 HB2 ASN A 88 -10.276 9.957 3.448 1.00 0.36 H new ATOM 0 HB3 ASN A 88 -10.507 11.402 2.484 1.00 0.36 H new ATOM 0 HD21 ASN A 88 -8.982 13.625 4.786 1.00 1.14 H new ATOM 0 HD22 ASN A 88 -10.019 13.472 3.364 1.00 1.14 H new ATOM 1248 N THR A 89 -13.638 10.217 5.592 1.00 0.43 N ATOM 1249 CA THR A 89 -13.986 9.572 6.850 1.00 0.48 C ATOM 1250 C THR A 89 -13.321 8.206 6.960 1.00 0.43 C ATOM 1251 O THR A 89 -12.435 8.012 7.786 1.00 0.48 O ATOM 1252 CB THR A 89 -15.511 9.421 7.011 1.00 0.58 C ATOM 1253 OG1 THR A 89 -16.129 10.708 7.131 1.00 0.68 O ATOM 1254 CG2 THR A 89 -15.847 8.574 8.228 1.00 0.67 C ATOM 0 H THR A 89 -14.432 10.608 5.084 1.00 0.43 H new ATOM 0 HA THR A 89 -13.620 10.215 7.651 1.00 0.48 H new ATOM 0 HB THR A 89 -15.895 8.920 6.122 1.00 0.58 H new ATOM 0 HG1 THR A 89 -15.451 11.408 7.024 1.00 0.68 H new ATOM 0 HG21 THR A 89 -16.929 8.482 8.320 1.00 0.67 H new ATOM 0 HG22 THR A 89 -15.407 7.583 8.114 1.00 0.67 H new ATOM 0 HG23 THR A 89 -15.446 9.048 9.124 1.00 0.67 H new ATOM 1262 N LYS A 90 -13.783 7.250 6.175 1.00 0.38 N ATOM 1263 CA LYS A 90 -13.092 5.980 6.050 1.00 0.35 C ATOM 1264 C LYS A 90 -12.581 5.761 4.623 1.00 0.29 C ATOM 1265 O LYS A 90 -12.074 4.690 4.299 1.00 0.32 O ATOM 1266 CB LYS A 90 -13.995 4.839 6.496 1.00 0.44 C ATOM 1267 CG LYS A 90 -14.383 4.919 7.963 1.00 0.68 C ATOM 1268 CD LYS A 90 -15.520 3.972 8.298 1.00 0.78 C ATOM 1269 CE LYS A 90 -15.935 4.101 9.753 1.00 1.07 C ATOM 1270 NZ LYS A 90 -17.087 3.225 10.085 1.00 1.47 N ATOM 0 H LYS A 90 -14.632 7.329 5.615 1.00 0.38 H new ATOM 0 HA LYS A 90 -12.221 6.001 6.704 1.00 0.35 H new ATOM 0 HB2 LYS A 90 -14.899 4.841 5.887 1.00 0.44 H new ATOM 0 HB3 LYS A 90 -13.489 3.891 6.312 1.00 0.44 H new ATOM 0 HG2 LYS A 90 -13.518 4.681 8.581 1.00 0.68 H new ATOM 0 HG3 LYS A 90 -14.677 5.940 8.206 1.00 0.68 H new ATOM 0 HD2 LYS A 90 -16.374 4.183 7.654 1.00 0.78 H new ATOM 0 HD3 LYS A 90 -15.213 2.946 8.095 1.00 0.78 H new ATOM 0 HE2 LYS A 90 -15.091 3.847 10.394 1.00 1.07 H new ATOM 0 HE3 LYS A 90 -16.196 5.138 9.965 1.00 1.07 H new ATOM 0 HZ1 LYS A 90 -17.337 3.345 11.087 1.00 1.47 H new ATOM 0 HZ2 LYS A 90 -17.902 3.483 9.492 1.00 1.47 H new ATOM 0 HZ3 LYS A 90 -16.831 2.233 9.908 1.00 1.47 H new ATOM 1284 N VAL A 91 -12.675 6.789 3.787 1.00 0.27 N ATOM 1285 CA VAL A 91 -12.385 6.637 2.359 1.00 0.25 C ATOM 1286 C VAL A 91 -10.996 7.162 1.976 1.00 0.22 C ATOM 1287 O VAL A 91 -10.699 8.344 2.138 1.00 0.31 O ATOM 1288 CB VAL A 91 -13.429 7.376 1.496 1.00 0.29 C ATOM 1289 CG1 VAL A 91 -13.399 6.865 0.063 1.00 0.35 C ATOM 1290 CG2 VAL A 91 -14.824 7.239 2.085 1.00 0.39 C ATOM 0 H VAL A 91 -12.947 7.731 4.067 1.00 0.27 H new ATOM 0 HA VAL A 91 -12.421 5.565 2.167 1.00 0.25 H new ATOM 0 HB VAL A 91 -13.170 8.435 1.490 1.00 0.29 H new ATOM 0 HG11 VAL A 91 -14.142 7.399 -0.529 1.00 0.35 H new ATOM 0 HG12 VAL A 91 -12.409 7.031 -0.362 1.00 0.35 H new ATOM 0 HG13 VAL A 91 -13.624 5.799 0.052 1.00 0.35 H new ATOM 0 HG21 VAL A 91 -15.538 7.770 1.456 1.00 0.39 H new ATOM 0 HG22 VAL A 91 -15.096 6.185 2.134 1.00 0.39 H new ATOM 0 HG23 VAL A 91 -14.839 7.664 3.089 1.00 0.39 H new ATOM 1300 N LEU A 92 -10.157 6.275 1.458 1.00 0.20 N ATOM 1301 CA LEU A 92 -8.866 6.657 0.878 1.00 0.17 C ATOM 1302 C LEU A 92 -8.938 6.573 -0.641 1.00 0.17 C ATOM 1303 O LEU A 92 -9.737 5.815 -1.175 1.00 0.19 O ATOM 1304 CB LEU A 92 -7.745 5.752 1.389 1.00 0.17 C ATOM 1305 CG LEU A 92 -6.822 6.366 2.443 1.00 0.18 C ATOM 1306 CD1 LEU A 92 -7.617 6.901 3.619 1.00 0.22 C ATOM 1307 CD2 LEU A 92 -5.807 5.334 2.908 1.00 0.19 C ATOM 0 H LEU A 92 -10.346 5.273 1.425 1.00 0.20 H new ATOM 0 HA LEU A 92 -8.646 7.681 1.180 1.00 0.17 H new ATOM 0 HB2 LEU A 92 -8.193 4.851 1.807 1.00 0.17 H new ATOM 0 HB3 LEU A 92 -7.138 5.441 0.538 1.00 0.17 H new ATOM 0 HG LEU A 92 -6.292 7.204 1.991 1.00 0.18 H new ATOM 0 HD11 LEU A 92 -6.936 7.332 4.353 1.00 0.22 H new ATOM 0 HD12 LEU A 92 -8.309 7.669 3.272 1.00 0.22 H new ATOM 0 HD13 LEU A 92 -8.179 6.088 4.079 1.00 0.22 H new ATOM 0 HD21 LEU A 92 -5.153 5.779 3.658 1.00 0.19 H new ATOM 0 HD22 LEU A 92 -6.328 4.480 3.341 1.00 0.19 H new ATOM 0 HD23 LEU A 92 -5.210 5.002 2.058 1.00 0.19 H new ATOM 1319 N VAL A 93 -8.138 7.372 -1.333 1.00 0.17 N ATOM 1320 CA VAL A 93 -8.145 7.377 -2.790 1.00 0.18 C ATOM 1321 C VAL A 93 -6.717 7.438 -3.350 1.00 0.17 C ATOM 1322 O VAL A 93 -6.001 8.410 -3.165 1.00 0.19 O ATOM 1323 CB VAL A 93 -9.006 8.543 -3.332 1.00 0.20 C ATOM 1324 CG1 VAL A 93 -8.675 9.845 -2.623 1.00 0.20 C ATOM 1325 CG2 VAL A 93 -8.850 8.692 -4.836 1.00 0.24 C ATOM 0 H VAL A 93 -7.477 8.024 -0.911 1.00 0.17 H new ATOM 0 HA VAL A 93 -8.593 6.442 -3.127 1.00 0.18 H new ATOM 0 HB VAL A 93 -10.049 8.303 -3.126 1.00 0.20 H new ATOM 0 HG11 VAL A 93 -9.295 10.646 -3.025 1.00 0.20 H new ATOM 0 HG12 VAL A 93 -8.868 9.737 -1.556 1.00 0.20 H new ATOM 0 HG13 VAL A 93 -7.624 10.087 -2.779 1.00 0.20 H new ATOM 0 HG21 VAL A 93 -9.467 9.519 -5.186 1.00 0.24 H new ATOM 0 HG22 VAL A 93 -7.806 8.892 -5.075 1.00 0.24 H new ATOM 0 HG23 VAL A 93 -9.165 7.771 -5.327 1.00 0.24 H new ATOM 1335 N ILE A 94 -6.302 6.373 -4.011 1.00 0.16 N ATOM 1336 CA ILE A 94 -4.950 6.275 -4.552 1.00 0.15 C ATOM 1337 C ILE A 94 -5.003 5.900 -6.030 1.00 0.15 C ATOM 1338 O ILE A 94 -5.683 4.950 -6.407 1.00 0.17 O ATOM 1339 CB ILE A 94 -4.097 5.226 -3.784 1.00 0.16 C ATOM 1340 CG1 ILE A 94 -3.621 5.772 -2.427 1.00 0.17 C ATOM 1341 CG2 ILE A 94 -2.903 4.773 -4.616 1.00 0.16 C ATOM 1342 CD1 ILE A 94 -4.692 5.803 -1.357 1.00 0.18 C ATOM 0 H ILE A 94 -6.884 5.555 -4.190 1.00 0.16 H new ATOM 0 HA ILE A 94 -4.478 7.250 -4.433 1.00 0.15 H new ATOM 0 HB ILE A 94 -4.738 4.364 -3.598 1.00 0.16 H new ATOM 0 HG12 ILE A 94 -2.789 5.162 -2.075 1.00 0.17 H new ATOM 0 HG13 ILE A 94 -3.237 6.782 -2.570 1.00 0.17 H new ATOM 0 HG21 ILE A 94 -2.325 4.040 -4.054 1.00 0.16 H new ATOM 0 HG22 ILE A 94 -3.256 4.323 -5.544 1.00 0.16 H new ATOM 0 HG23 ILE A 94 -2.273 5.632 -4.846 1.00 0.16 H new ATOM 0 HD11 ILE A 94 -4.272 6.201 -0.433 1.00 0.18 H new ATOM 0 HD12 ILE A 94 -5.515 6.438 -1.685 1.00 0.18 H new ATOM 0 HD13 ILE A 94 -5.061 4.792 -1.182 1.00 0.18 H new ATOM 1354 N THR A 95 -4.287 6.642 -6.859 1.00 0.14 N ATOM 1355 CA THR A 95 -4.299 6.401 -8.295 1.00 0.13 C ATOM 1356 C THR A 95 -2.895 6.062 -8.799 1.00 0.11 C ATOM 1357 O THR A 95 -1.903 6.634 -8.342 1.00 0.12 O ATOM 1358 CB THR A 95 -4.830 7.634 -9.052 1.00 0.16 C ATOM 1359 OG1 THR A 95 -6.018 8.125 -8.412 1.00 0.20 O ATOM 1360 CG2 THR A 95 -5.141 7.297 -10.505 1.00 0.16 C ATOM 0 H THR A 95 -3.691 7.415 -6.564 1.00 0.14 H new ATOM 0 HA THR A 95 -4.960 5.555 -8.483 1.00 0.13 H new ATOM 0 HB THR A 95 -4.055 8.400 -9.033 1.00 0.16 H new ATOM 0 HG1 THR A 95 -6.784 7.574 -8.676 1.00 0.20 H new ATOM 0 HG21 THR A 95 -5.514 8.186 -11.013 1.00 0.16 H new ATOM 0 HG22 THR A 95 -4.234 6.949 -11.000 1.00 0.16 H new ATOM 0 HG23 THR A 95 -5.898 6.514 -10.543 1.00 0.16 H new ATOM 1368 N VAL A 96 -2.816 5.135 -9.743 1.00 0.11 N ATOM 1369 CA VAL A 96 -1.548 4.733 -10.328 1.00 0.10 C ATOM 1370 C VAL A 96 -1.527 5.016 -11.830 1.00 0.11 C ATOM 1371 O VAL A 96 -2.535 4.827 -12.512 1.00 0.14 O ATOM 1372 CB VAL A 96 -1.266 3.240 -10.058 1.00 0.12 C ATOM 1373 CG1 VAL A 96 -2.512 2.398 -10.267 1.00 0.14 C ATOM 1374 CG2 VAL A 96 -0.140 2.732 -10.937 1.00 0.14 C ATOM 0 H VAL A 96 -3.625 4.644 -10.122 1.00 0.11 H new ATOM 0 HA VAL A 96 -0.761 5.322 -9.856 1.00 0.10 H new ATOM 0 HB VAL A 96 -0.961 3.149 -9.015 1.00 0.12 H new ATOM 0 HG11 VAL A 96 -2.281 1.351 -10.069 1.00 0.14 H new ATOM 0 HG12 VAL A 96 -3.295 2.732 -9.586 1.00 0.14 H new ATOM 0 HG13 VAL A 96 -2.856 2.506 -11.296 1.00 0.14 H new ATOM 0 HG21 VAL A 96 0.038 1.677 -10.727 1.00 0.14 H new ATOM 0 HG22 VAL A 96 -0.414 2.852 -11.985 1.00 0.14 H new ATOM 0 HG23 VAL A 96 0.767 3.301 -10.732 1.00 0.14 H new ATOM 1384 N ASN A 97 -0.384 5.477 -12.345 1.00 0.14 N ATOM 1385 CA ASN A 97 -0.274 5.796 -13.765 1.00 0.23 C ATOM 1386 C ASN A 97 1.016 5.247 -14.363 1.00 0.34 C ATOM 1387 O ASN A 97 2.078 5.861 -14.250 1.00 0.81 O ATOM 1388 CB ASN A 97 -0.339 7.303 -13.993 1.00 0.44 C ATOM 1389 CG ASN A 97 -0.496 7.674 -15.456 1.00 1.14 C ATOM 1390 OD1 ASN A 97 0.485 7.823 -16.183 1.00 1.45 O ATOM 1391 ND2 ASN A 97 -1.732 7.845 -15.897 1.00 1.87 N ATOM 0 H ASN A 97 0.467 5.635 -11.805 1.00 0.14 H new ATOM 0 HA ASN A 97 -1.119 5.322 -14.265 1.00 0.23 H new ATOM 0 HB2 ASN A 97 -1.175 7.715 -13.427 1.00 0.44 H new ATOM 0 HB3 ASN A 97 0.568 7.764 -13.602 1.00 0.44 H new ATOM 0 HD21 ASN A 97 -1.895 8.109 -16.869 1.00 1.87 H new ATOM 0 HD22 ASN A 97 -2.522 7.713 -15.265 1.00 1.87 H new ATOM 1398 N ASN A 98 0.880 4.079 -14.976 1.00 0.42 N ATOM 1399 CA ASN A 98 1.927 3.407 -15.764 1.00 0.43 C ATOM 1400 C ASN A 98 1.499 1.948 -15.967 1.00 0.38 C ATOM 1401 O ASN A 98 1.479 1.459 -17.098 1.00 0.43 O ATOM 1402 CB ASN A 98 3.331 3.512 -15.143 1.00 0.51 C ATOM 1403 CG ASN A 98 4.403 2.879 -16.013 1.00 0.58 C ATOM 1404 OD1 ASN A 98 4.994 3.539 -16.869 1.00 0.75 O ATOM 1405 ND2 ASN A 98 4.665 1.598 -15.804 1.00 0.57 N ATOM 0 H ASN A 98 0.010 3.547 -14.943 1.00 0.42 H new ATOM 0 HA ASN A 98 2.019 3.915 -16.724 1.00 0.43 H new ATOM 0 HB2 ASN A 98 3.574 4.562 -14.979 1.00 0.51 H new ATOM 0 HB3 ASN A 98 3.329 3.029 -14.166 1.00 0.51 H new ATOM 0 HD21 ASN A 98 5.377 1.126 -16.361 1.00 0.57 H new ATOM 0 HD22 ASN A 98 4.155 1.084 -15.086 1.00 0.57 H new ATOM 1412 N PRO A 99 1.159 1.216 -14.874 1.00 0.35 N ATOM 1413 CA PRO A 99 0.247 0.076 -14.965 1.00 0.34 C ATOM 1414 C PRO A 99 -1.129 0.566 -15.396 1.00 0.30 C ATOM 1415 O PRO A 99 -1.357 1.777 -15.459 1.00 0.29 O ATOM 1416 CB PRO A 99 0.184 -0.486 -13.541 1.00 0.36 C ATOM 1417 CG PRO A 99 1.385 0.053 -12.857 1.00 0.40 C ATOM 1418 CD PRO A 99 1.671 1.379 -13.499 1.00 0.38 C ATOM 0 HA PRO A 99 0.574 -0.672 -15.687 1.00 0.34 H new ATOM 0 HB2 PRO A 99 -0.730 -0.175 -13.035 1.00 0.36 H new ATOM 0 HB3 PRO A 99 0.190 -1.576 -13.547 1.00 0.36 H new ATOM 0 HG2 PRO A 99 1.206 0.168 -11.788 1.00 0.40 H new ATOM 0 HG3 PRO A 99 2.232 -0.624 -12.967 1.00 0.40 H new ATOM 0 HD2 PRO A 99 1.168 2.194 -12.978 1.00 0.38 H new ATOM 0 HD3 PRO A 99 2.737 1.606 -13.492 1.00 0.38 H new ATOM 1426 N GLN A 100 -2.037 -0.353 -15.685 1.00 0.34 N ATOM 1427 CA GLN A 100 -3.367 0.021 -16.148 1.00 0.36 C ATOM 1428 C GLN A 100 -4.070 0.860 -15.083 1.00 0.32 C ATOM 1429 O GLN A 100 -4.362 0.367 -13.990 1.00 0.31 O ATOM 1430 CB GLN A 100 -4.184 -1.231 -16.468 1.00 0.46 C ATOM 1431 CG GLN A 100 -3.565 -2.088 -17.559 1.00 1.17 C ATOM 1432 CD GLN A 100 -4.374 -3.330 -17.863 1.00 1.25 C ATOM 1433 OE1 GLN A 100 -5.041 -3.886 -16.989 1.00 1.54 O ATOM 1434 NE2 GLN A 100 -4.325 -3.774 -19.108 1.00 1.87 N ATOM 0 H GLN A 100 -1.880 -1.358 -15.608 1.00 0.34 H new ATOM 0 HA GLN A 100 -3.275 0.615 -17.057 1.00 0.36 H new ATOM 0 HB2 GLN A 100 -4.291 -1.828 -15.563 1.00 0.46 H new ATOM 0 HB3 GLN A 100 -5.187 -0.934 -16.774 1.00 0.46 H new ATOM 0 HG2 GLN A 100 -3.465 -1.494 -18.468 1.00 1.17 H new ATOM 0 HG3 GLN A 100 -2.559 -2.381 -17.257 1.00 1.17 H new ATOM 0 HE21 GLN A 100 -3.760 -3.284 -19.802 1.00 1.87 H new ATOM 0 HE22 GLN A 100 -4.852 -4.606 -19.374 1.00 1.87 H new ATOM 1443 N PRO A 101 -4.315 2.151 -15.400 1.00 0.36 N ATOM 1444 CA PRO A 101 -4.838 3.142 -14.452 1.00 0.35 C ATOM 1445 C PRO A 101 -5.980 2.622 -13.590 1.00 0.32 C ATOM 1446 O PRO A 101 -7.057 2.283 -14.085 1.00 0.39 O ATOM 1447 CB PRO A 101 -5.323 4.269 -15.361 1.00 0.45 C ATOM 1448 CG PRO A 101 -4.410 4.209 -16.532 1.00 0.57 C ATOM 1449 CD PRO A 101 -4.088 2.751 -16.734 1.00 0.46 C ATOM 0 HA PRO A 101 -4.077 3.440 -13.730 1.00 0.35 H new ATOM 0 HB2 PRO A 101 -6.362 4.123 -15.658 1.00 0.45 H new ATOM 0 HB3 PRO A 101 -5.267 5.236 -14.861 1.00 0.45 H new ATOM 0 HG2 PRO A 101 -4.884 4.630 -17.418 1.00 0.57 H new ATOM 0 HG3 PRO A 101 -3.504 4.787 -16.350 1.00 0.57 H new ATOM 0 HD2 PRO A 101 -4.731 2.300 -17.490 1.00 0.46 H new ATOM 0 HD3 PRO A 101 -3.059 2.611 -17.066 1.00 0.46 H new ATOM 1457 N THR A 102 -5.720 2.550 -12.298 1.00 0.26 N ATOM 1458 CA THR A 102 -6.710 2.115 -11.336 1.00 0.25 C ATOM 1459 C THR A 102 -6.639 3.006 -10.099 1.00 0.21 C ATOM 1460 O THR A 102 -5.562 3.479 -9.730 1.00 0.22 O ATOM 1461 CB THR A 102 -6.477 0.643 -10.930 1.00 0.27 C ATOM 1462 OG1 THR A 102 -6.283 -0.163 -12.102 1.00 0.33 O ATOM 1463 CG2 THR A 102 -7.658 0.100 -10.138 1.00 0.30 C ATOM 0 H THR A 102 -4.818 2.791 -11.888 1.00 0.26 H new ATOM 0 HA THR A 102 -7.696 2.192 -11.793 1.00 0.25 H new ATOM 0 HB THR A 102 -5.587 0.604 -10.302 1.00 0.27 H new ATOM 0 HG1 THR A 102 -5.463 0.118 -12.560 1.00 0.33 H new ATOM 0 HG21 THR A 102 -7.467 -0.938 -9.865 1.00 0.30 H new ATOM 0 HG22 THR A 102 -7.794 0.694 -9.234 1.00 0.30 H new ATOM 0 HG23 THR A 102 -8.560 0.155 -10.747 1.00 0.30 H new ATOM 1471 N THR A 103 -7.778 3.256 -9.481 1.00 0.21 N ATOM 1472 CA THR A 103 -7.828 4.068 -8.280 1.00 0.19 C ATOM 1473 C THR A 103 -8.344 3.240 -7.111 1.00 0.20 C ATOM 1474 O THR A 103 -9.513 2.865 -7.067 1.00 0.28 O ATOM 1475 CB THR A 103 -8.722 5.305 -8.482 1.00 0.20 C ATOM 1476 OG1 THR A 103 -8.244 6.077 -9.592 1.00 0.22 O ATOM 1477 CG2 THR A 103 -8.749 6.170 -7.233 1.00 0.22 C ATOM 0 H THR A 103 -8.684 2.907 -9.792 1.00 0.21 H new ATOM 0 HA THR A 103 -6.817 4.411 -8.061 1.00 0.19 H new ATOM 0 HB THR A 103 -9.736 4.961 -8.685 1.00 0.20 H new ATOM 0 HG1 THR A 103 -8.818 6.862 -9.716 1.00 0.22 H new ATOM 0 HG21 THR A 103 -9.388 7.036 -7.404 1.00 0.22 H new ATOM 0 HG22 THR A 103 -9.140 5.590 -6.397 1.00 0.22 H new ATOM 0 HG23 THR A 103 -7.738 6.505 -7.000 1.00 0.22 H new ATOM 1485 N TYR A 104 -7.466 2.959 -6.168 1.00 0.17 N ATOM 1486 CA TYR A 104 -7.787 2.083 -5.057 1.00 0.18 C ATOM 1487 C TYR A 104 -8.309 2.882 -3.878 1.00 0.19 C ATOM 1488 O TYR A 104 -7.669 3.830 -3.426 1.00 0.20 O ATOM 1489 CB TYR A 104 -6.546 1.296 -4.643 1.00 0.19 C ATOM 1490 CG TYR A 104 -5.908 0.558 -5.792 1.00 0.20 C ATOM 1491 CD1 TYR A 104 -6.422 -0.654 -6.235 1.00 0.22 C ATOM 1492 CD2 TYR A 104 -4.782 1.067 -6.423 1.00 0.23 C ATOM 1493 CE1 TYR A 104 -5.833 -1.341 -7.278 1.00 0.26 C ATOM 1494 CE2 TYR A 104 -4.187 0.385 -7.471 1.00 0.25 C ATOM 1495 CZ TYR A 104 -4.745 -0.787 -7.928 1.00 0.26 C ATOM 1496 OH TYR A 104 -4.128 -1.500 -8.934 1.00 0.30 O ATOM 0 H TYR A 104 -6.516 3.329 -6.149 1.00 0.17 H new ATOM 0 HA TYR A 104 -8.565 1.389 -5.376 1.00 0.18 H new ATOM 0 HB2 TYR A 104 -5.817 1.980 -4.208 1.00 0.19 H new ATOM 0 HB3 TYR A 104 -6.818 0.582 -3.865 1.00 0.19 H new ATOM 0 HD1 TYR A 104 -7.297 -1.066 -5.755 1.00 0.22 H new ATOM 0 HD2 TYR A 104 -4.364 2.007 -6.093 1.00 0.23 H new ATOM 0 HE1 TYR A 104 -6.218 -2.302 -7.584 1.00 0.26 H new ATOM 0 HE2 TYR A 104 -3.288 0.772 -7.928 1.00 0.25 H new ATOM 0 HH TYR A 104 -3.381 -0.978 -9.294 1.00 0.30 H new ATOM 1506 N ASN A 105 -9.484 2.510 -3.392 1.00 0.18 N ATOM 1507 CA ASN A 105 -10.044 3.155 -2.217 1.00 0.18 C ATOM 1508 C ASN A 105 -9.867 2.258 -1.011 1.00 0.17 C ATOM 1509 O ASN A 105 -10.550 1.241 -0.882 1.00 0.16 O ATOM 1510 CB ASN A 105 -11.534 3.491 -2.383 1.00 0.20 C ATOM 1511 CG ASN A 105 -11.826 4.502 -3.481 1.00 0.24 C ATOM 1512 OD1 ASN A 105 -11.161 4.372 -4.617 1.00 0.46 O flip ATOM 1513 ND2 ASN A 105 -12.686 5.369 -3.320 1.00 0.26 N flip ATOM 0 H ASN A 105 -10.063 1.771 -3.790 1.00 0.18 H new ATOM 0 HA ASN A 105 -9.508 4.094 -2.079 1.00 0.18 H new ATOM 0 HB2 ASN A 105 -12.081 2.572 -2.596 1.00 0.20 H new ATOM 0 HB3 ASN A 105 -11.915 3.877 -1.438 1.00 0.20 H new ATOM 0 HD21 ASN A 105 -13.179 5.439 -2.430 1.00 0.26 H new ATOM 0 HD22 ASN A 105 -12.905 6.017 -4.077 1.00 0.26 H new ATOM 1520 N PHE A 106 -8.943 2.624 -0.138 1.00 0.18 N ATOM 1521 CA PHE A 106 -8.708 1.856 1.071 1.00 0.17 C ATOM 1522 C PHE A 106 -9.685 2.297 2.152 1.00 0.19 C ATOM 1523 O PHE A 106 -9.614 3.421 2.650 1.00 0.23 O ATOM 1524 CB PHE A 106 -7.267 2.032 1.562 1.00 0.19 C ATOM 1525 CG PHE A 106 -6.214 1.642 0.559 1.00 0.18 C ATOM 1526 CD1 PHE A 106 -6.059 0.323 0.168 1.00 0.21 C ATOM 1527 CD2 PHE A 106 -5.368 2.596 0.022 1.00 0.31 C ATOM 1528 CE1 PHE A 106 -5.082 -0.037 -0.740 1.00 0.21 C ATOM 1529 CE2 PHE A 106 -4.390 2.243 -0.888 1.00 0.34 C ATOM 1530 CZ PHE A 106 -4.246 0.925 -1.270 1.00 0.23 C ATOM 0 H PHE A 106 -8.346 3.445 -0.244 1.00 0.18 H new ATOM 0 HA PHE A 106 -8.862 0.800 0.848 1.00 0.17 H new ATOM 0 HB2 PHE A 106 -7.116 3.075 1.841 1.00 0.19 H new ATOM 0 HB3 PHE A 106 -7.129 1.437 2.465 1.00 0.19 H new ATOM 0 HD1 PHE A 106 -6.710 -0.434 0.578 1.00 0.21 H new ATOM 0 HD2 PHE A 106 -5.473 3.629 0.318 1.00 0.31 H new ATOM 0 HE1 PHE A 106 -4.972 -1.070 -1.035 1.00 0.21 H new ATOM 0 HE2 PHE A 106 -3.738 2.999 -1.300 1.00 0.34 H new ATOM 0 HZ PHE A 106 -3.482 0.647 -1.981 1.00 0.23 H new ATOM 1540 N THR A 107 -10.605 1.414 2.490 1.00 0.17 N ATOM 1541 CA THR A 107 -11.624 1.703 3.481 1.00 0.21 C ATOM 1542 C THR A 107 -11.529 0.717 4.637 1.00 0.20 C ATOM 1543 O THR A 107 -11.295 -0.466 4.424 1.00 0.22 O ATOM 1544 CB THR A 107 -13.026 1.625 2.845 1.00 0.26 C ATOM 1545 OG1 THR A 107 -13.040 2.385 1.630 1.00 0.39 O ATOM 1546 CG2 THR A 107 -14.094 2.154 3.789 1.00 0.35 C ATOM 0 H THR A 107 -10.667 0.479 2.087 1.00 0.17 H new ATOM 0 HA THR A 107 -11.461 2.712 3.859 1.00 0.21 H new ATOM 0 HB THR A 107 -13.248 0.579 2.636 1.00 0.26 H new ATOM 0 HG1 THR A 107 -13.508 3.233 1.780 1.00 0.39 H new ATOM 0 HG21 THR A 107 -15.070 2.085 3.309 1.00 0.35 H new ATOM 0 HG22 THR A 107 -14.096 1.562 4.704 1.00 0.35 H new ATOM 0 HG23 THR A 107 -13.882 3.195 4.031 1.00 0.35 H new ATOM 1554 N PHE A 108 -11.678 1.198 5.857 1.00 0.28 N ATOM 1555 CA PHE A 108 -11.638 0.319 7.012 1.00 0.26 C ATOM 1556 C PHE A 108 -12.687 0.746 8.030 1.00 0.27 C ATOM 1557 O PHE A 108 -13.400 1.724 7.814 1.00 0.33 O ATOM 1558 CB PHE A 108 -10.245 0.318 7.660 1.00 0.29 C ATOM 1559 CG PHE A 108 -9.992 -0.893 8.518 1.00 0.29 C ATOM 1560 CD1 PHE A 108 -9.597 -0.753 9.839 1.00 0.34 C ATOM 1561 CD2 PHE A 108 -10.138 -2.167 7.999 1.00 0.31 C ATOM 1562 CE1 PHE A 108 -9.352 -1.864 10.625 1.00 0.39 C ATOM 1563 CE2 PHE A 108 -9.896 -3.281 8.779 1.00 0.36 C ATOM 1564 CZ PHE A 108 -9.550 -3.129 10.108 1.00 0.38 C ATOM 0 H PHE A 108 -11.827 2.184 6.074 1.00 0.28 H new ATOM 0 HA PHE A 108 -11.856 -0.694 6.675 1.00 0.26 H new ATOM 0 HB2 PHE A 108 -9.487 0.366 6.878 1.00 0.29 H new ATOM 0 HB3 PHE A 108 -10.133 1.216 8.268 1.00 0.29 H new ATOM 0 HD1 PHE A 108 -9.479 0.235 10.259 1.00 0.34 H new ATOM 0 HD2 PHE A 108 -10.445 -2.292 6.971 1.00 0.31 H new ATOM 0 HE1 PHE A 108 -9.007 -1.743 11.641 1.00 0.39 H new ATOM 0 HE2 PHE A 108 -9.977 -4.269 8.351 1.00 0.36 H new ATOM 0 HZ PHE A 108 -9.435 -3.997 10.740 1.00 0.38 H new ATOM 1574 N LYS A 109 -12.788 0.011 9.127 1.00 0.25 N ATOM 1575 CA LYS A 109 -13.670 0.389 10.219 1.00 0.26 C ATOM 1576 C LYS A 109 -13.072 1.580 10.957 1.00 0.27 C ATOM 1577 O LYS A 109 -13.778 2.503 11.358 1.00 0.33 O ATOM 1578 CB LYS A 109 -13.870 -0.811 11.163 1.00 0.30 C ATOM 1579 CG LYS A 109 -14.748 -0.536 12.381 1.00 0.68 C ATOM 1580 CD LYS A 109 -13.960 0.091 13.525 1.00 0.77 C ATOM 1581 CE LYS A 109 -14.848 0.409 14.716 1.00 1.16 C ATOM 1582 NZ LYS A 109 -15.376 -0.818 15.364 1.00 1.94 N ATOM 0 H LYS A 109 -12.268 -0.853 9.284 1.00 0.25 H new ATOM 0 HA LYS A 109 -14.646 0.678 9.830 1.00 0.26 H new ATOM 0 HB2 LYS A 109 -14.309 -1.631 10.595 1.00 0.30 H new ATOM 0 HB3 LYS A 109 -12.893 -1.149 11.508 1.00 0.30 H new ATOM 0 HG2 LYS A 109 -15.564 0.128 12.097 1.00 0.68 H new ATOM 0 HG3 LYS A 109 -15.199 -1.468 12.720 1.00 0.68 H new ATOM 0 HD2 LYS A 109 -13.166 -0.589 13.835 1.00 0.77 H new ATOM 0 HD3 LYS A 109 -13.479 1.005 13.177 1.00 0.77 H new ATOM 0 HE2 LYS A 109 -14.282 0.988 15.445 1.00 1.16 H new ATOM 0 HE3 LYS A 109 -15.680 1.033 14.390 1.00 1.16 H new ATOM 0 HZ1 LYS A 109 -15.892 -0.559 16.229 1.00 1.94 H new ATOM 0 HZ2 LYS A 109 -16.020 -1.306 14.710 1.00 1.94 H new ATOM 0 HZ3 LYS A 109 -14.586 -1.449 15.608 1.00 1.94 H new ATOM 1596 N SER A 110 -11.758 1.551 11.106 1.00 0.28 N ATOM 1597 CA SER A 110 -11.035 2.587 11.818 1.00 0.32 C ATOM 1598 C SER A 110 -10.731 3.766 10.906 1.00 0.41 C ATOM 1599 O SER A 110 -10.121 3.603 9.848 1.00 0.50 O ATOM 1600 CB SER A 110 -9.721 2.023 12.345 1.00 0.36 C ATOM 1601 OG SER A 110 -8.975 3.012 13.037 1.00 1.03 O ATOM 0 H SER A 110 -11.164 0.808 10.736 1.00 0.28 H new ATOM 0 HA SER A 110 -11.659 2.930 12.643 1.00 0.32 H new ATOM 0 HB2 SER A 110 -9.924 1.185 13.012 1.00 0.36 H new ATOM 0 HB3 SER A 110 -9.131 1.634 11.515 1.00 0.36 H new ATOM 0 HG SER A 110 -8.138 2.621 13.365 1.00 1.03 H new ATOM 1607 N PRO A 111 -11.153 4.973 11.301 1.00 0.48 N ATOM 1608 CA PRO A 111 -10.780 6.199 10.603 1.00 0.59 C ATOM 1609 C PRO A 111 -9.287 6.489 10.765 1.00 0.67 C ATOM 1610 O PRO A 111 -8.675 7.140 9.924 1.00 1.09 O ATOM 1611 CB PRO A 111 -11.631 7.288 11.278 1.00 0.73 C ATOM 1612 CG PRO A 111 -12.657 6.558 12.078 1.00 0.77 C ATOM 1613 CD PRO A 111 -12.042 5.240 12.441 1.00 0.56 C ATOM 0 HA PRO A 111 -10.956 6.139 9.529 1.00 0.59 H new ATOM 0 HB2 PRO A 111 -11.018 7.925 11.915 1.00 0.73 H new ATOM 0 HB3 PRO A 111 -12.100 7.935 10.536 1.00 0.73 H new ATOM 0 HG2 PRO A 111 -12.927 7.121 12.971 1.00 0.77 H new ATOM 0 HG3 PRO A 111 -13.571 6.416 11.502 1.00 0.77 H new ATOM 0 HD2 PRO A 111 -11.491 5.295 13.380 1.00 0.56 H new ATOM 0 HD3 PRO A 111 -12.795 4.461 12.559 1.00 0.56 H new ATOM 1621 N GLY A 112 -8.701 5.961 11.835 1.00 0.44 N ATOM 1622 CA GLY A 112 -7.292 6.186 12.100 1.00 0.49 C ATOM 1623 C GLY A 112 -6.391 5.230 11.340 1.00 0.46 C ATOM 1624 O GLY A 112 -5.337 5.630 10.845 1.00 0.63 O ATOM 0 H GLY A 112 -9.178 5.380 12.524 1.00 0.44 H new ATOM 0 HA2 GLY A 112 -7.036 7.211 11.831 1.00 0.49 H new ATOM 0 HA3 GLY A 112 -7.107 6.081 13.169 1.00 0.49 H new ATOM 1628 N GLU A 113 -6.815 3.971 11.233 1.00 0.32 N ATOM 1629 CA GLU A 113 -6.012 2.932 10.588 1.00 0.30 C ATOM 1630 C GLU A 113 -5.643 3.329 9.161 1.00 0.31 C ATOM 1631 O GLU A 113 -4.487 3.222 8.743 1.00 0.34 O ATOM 1632 CB GLU A 113 -6.787 1.611 10.562 1.00 0.28 C ATOM 1633 CG GLU A 113 -5.979 0.437 10.039 1.00 0.32 C ATOM 1634 CD GLU A 113 -4.740 0.172 10.868 1.00 0.70 C ATOM 1635 OE1 GLU A 113 -4.818 -0.632 11.820 1.00 1.14 O ATOM 1636 OE2 GLU A 113 -3.680 0.760 10.566 1.00 0.76 O ATOM 0 H GLU A 113 -7.714 3.645 11.587 1.00 0.32 H new ATOM 0 HA GLU A 113 -5.095 2.810 11.164 1.00 0.30 H new ATOM 0 HB2 GLU A 113 -7.131 1.383 11.571 1.00 0.28 H new ATOM 0 HB3 GLU A 113 -7.675 1.734 9.942 1.00 0.28 H new ATOM 0 HG2 GLU A 113 -6.605 -0.456 10.030 1.00 0.32 H new ATOM 0 HG3 GLU A 113 -5.687 0.632 9.007 1.00 0.32 H new ATOM 1643 N ARG A 114 -6.634 3.805 8.430 1.00 0.35 N ATOM 1644 CA ARG A 114 -6.462 4.123 7.020 1.00 0.43 C ATOM 1645 C ARG A 114 -5.573 5.348 6.848 1.00 0.38 C ATOM 1646 O ARG A 114 -4.741 5.395 5.948 1.00 0.40 O ATOM 1647 CB ARG A 114 -7.809 4.384 6.368 1.00 0.61 C ATOM 1648 CG ARG A 114 -8.899 3.417 6.767 1.00 0.87 C ATOM 1649 CD ARG A 114 -10.236 4.131 6.801 1.00 0.65 C ATOM 1650 NE ARG A 114 -10.121 5.434 7.465 1.00 1.24 N ATOM 1651 CZ ARG A 114 -9.947 6.603 6.826 1.00 2.02 C ATOM 1652 NH1 ARG A 114 -9.968 6.650 5.503 1.00 2.55 N ATOM 1653 NH2 ARG A 114 -9.755 7.724 7.507 1.00 2.83 N ATOM 0 H ARG A 114 -7.572 3.981 8.790 1.00 0.35 H new ATOM 0 HA ARG A 114 -5.987 3.268 6.539 1.00 0.43 H new ATOM 0 HB2 ARG A 114 -8.129 5.395 6.618 1.00 0.61 H new ATOM 0 HB3 ARG A 114 -7.687 4.347 5.285 1.00 0.61 H new ATOM 0 HG2 ARG A 114 -8.938 2.588 6.061 1.00 0.87 H new ATOM 0 HG3 ARG A 114 -8.679 2.992 7.746 1.00 0.87 H new ATOM 0 HD2 ARG A 114 -10.605 4.268 5.784 1.00 0.65 H new ATOM 0 HD3 ARG A 114 -10.967 3.516 7.325 1.00 0.65 H new ATOM 0 HE ARG A 114 -10.177 5.454 8.483 1.00 1.24 H new ATOM 0 HH11 ARG A 114 -10.117 5.796 4.965 1.00 2.55 H new ATOM 0 HH12 ARG A 114 -9.835 7.540 5.022 1.00 2.55 H new ATOM 0 HH21 ARG A 114 -9.738 7.705 8.527 1.00 2.83 H new ATOM 0 HH22 ARG A 114 -9.624 8.606 7.011 1.00 2.83 H new ATOM 1667 N GLU A 115 -5.755 6.347 7.710 1.00 0.42 N ATOM 1668 CA GLU A 115 -4.943 7.556 7.645 1.00 0.48 C ATOM 1669 C GLU A 115 -3.499 7.252 7.996 1.00 0.37 C ATOM 1670 O GLU A 115 -2.578 7.840 7.428 1.00 0.40 O ATOM 1671 CB GLU A 115 -5.482 8.647 8.564 1.00 0.64 C ATOM 1672 CG GLU A 115 -6.673 9.391 7.990 1.00 1.24 C ATOM 1673 CD GLU A 115 -6.905 10.713 8.686 1.00 1.38 C ATOM 1674 OE1 GLU A 115 -6.390 11.745 8.206 1.00 1.49 O ATOM 1675 OE2 GLU A 115 -7.615 10.728 9.713 1.00 1.59 O ATOM 0 H GLU A 115 -6.452 6.342 8.455 1.00 0.42 H new ATOM 0 HA GLU A 115 -4.991 7.923 6.620 1.00 0.48 H new ATOM 0 HB2 GLU A 115 -5.768 8.200 9.516 1.00 0.64 H new ATOM 0 HB3 GLU A 115 -4.685 9.360 8.773 1.00 0.64 H new ATOM 0 HG2 GLU A 115 -6.513 9.565 6.926 1.00 1.24 H new ATOM 0 HG3 GLU A 115 -7.565 8.772 8.081 1.00 1.24 H new ATOM 1682 N SER A 116 -3.310 6.319 8.923 1.00 0.33 N ATOM 1683 CA SER A 116 -1.984 5.825 9.253 1.00 0.36 C ATOM 1684 C SER A 116 -1.318 5.287 7.996 1.00 0.31 C ATOM 1685 O SER A 116 -0.127 5.476 7.775 1.00 0.38 O ATOM 1686 CB SER A 116 -2.081 4.720 10.313 1.00 0.45 C ATOM 1687 OG SER A 116 -0.832 4.078 10.513 1.00 1.15 O ATOM 0 H SER A 116 -4.064 5.890 9.460 1.00 0.33 H new ATOM 0 HA SER A 116 -1.385 6.642 9.657 1.00 0.36 H new ATOM 0 HB2 SER A 116 -2.426 5.147 11.254 1.00 0.45 H new ATOM 0 HB3 SER A 116 -2.824 3.984 10.006 1.00 0.45 H new ATOM 0 HG SER A 116 -0.886 3.496 11.300 1.00 1.15 H new ATOM 1693 N TRP A 117 -2.112 4.638 7.162 1.00 0.25 N ATOM 1694 CA TRP A 117 -1.625 4.093 5.910 1.00 0.24 C ATOM 1695 C TRP A 117 -1.352 5.222 4.916 1.00 0.21 C ATOM 1696 O TRP A 117 -0.297 5.268 4.285 1.00 0.23 O ATOM 1697 CB TRP A 117 -2.666 3.133 5.340 1.00 0.26 C ATOM 1698 CG TRP A 117 -2.069 1.963 4.636 1.00 0.23 C ATOM 1699 CD1 TRP A 117 -1.796 0.748 5.181 1.00 0.23 C ATOM 1700 CD2 TRP A 117 -1.673 1.891 3.265 1.00 0.22 C ATOM 1701 NE1 TRP A 117 -1.253 -0.079 4.231 1.00 0.21 N ATOM 1702 CE2 TRP A 117 -1.167 0.599 3.047 1.00 0.21 C ATOM 1703 CE3 TRP A 117 -1.696 2.792 2.198 1.00 0.25 C ATOM 1704 CZ2 TRP A 117 -0.687 0.183 1.811 1.00 0.22 C ATOM 1705 CZ3 TRP A 117 -1.220 2.379 0.969 1.00 0.26 C ATOM 1706 CH2 TRP A 117 -0.723 1.084 0.785 1.00 0.24 C ATOM 0 H TRP A 117 -3.104 4.476 7.333 1.00 0.25 H new ATOM 0 HA TRP A 117 -0.694 3.554 6.087 1.00 0.24 H new ATOM 0 HB2 TRP A 117 -3.301 2.775 6.150 1.00 0.26 H new ATOM 0 HB3 TRP A 117 -3.309 3.676 4.647 1.00 0.26 H new ATOM 0 HD1 TRP A 117 -1.979 0.474 6.210 1.00 0.23 H new ATOM 0 HE1 TRP A 117 -0.961 -1.044 4.383 1.00 0.21 H new ATOM 0 HE3 TRP A 117 -2.079 3.793 2.331 1.00 0.25 H new ATOM 0 HZ2 TRP A 117 -0.300 -0.815 1.667 1.00 0.22 H new ATOM 0 HZ3 TRP A 117 -1.232 3.067 0.136 1.00 0.26 H new ATOM 0 HH2 TRP A 117 -0.360 0.791 -0.189 1.00 0.24 H new ATOM 1717 N GLN A 118 -2.312 6.138 4.813 1.00 0.20 N ATOM 1718 CA GLN A 118 -2.245 7.266 3.882 1.00 0.19 C ATOM 1719 C GLN A 118 -0.974 8.095 4.077 1.00 0.18 C ATOM 1720 O GLN A 118 -0.265 8.388 3.116 1.00 0.21 O ATOM 1721 CB GLN A 118 -3.492 8.148 4.056 1.00 0.19 C ATOM 1722 CG GLN A 118 -3.473 9.452 3.268 1.00 0.17 C ATOM 1723 CD GLN A 118 -3.436 9.261 1.762 1.00 0.33 C ATOM 1724 OE1 GLN A 118 -2.888 10.092 1.041 1.00 0.74 O ATOM 1725 NE2 GLN A 118 -4.029 8.183 1.272 1.00 0.19 N ATOM 0 H GLN A 118 -3.163 6.120 5.375 1.00 0.20 H new ATOM 0 HA GLN A 118 -2.215 6.867 2.868 1.00 0.19 H new ATOM 0 HB2 GLN A 118 -4.369 7.574 3.758 1.00 0.19 H new ATOM 0 HB3 GLN A 118 -3.608 8.382 5.114 1.00 0.19 H new ATOM 0 HG2 GLN A 118 -4.356 10.035 3.529 1.00 0.17 H new ATOM 0 HG3 GLN A 118 -2.604 10.036 3.572 1.00 0.17 H new ATOM 0 HE21 GLN A 118 -4.474 7.515 1.902 1.00 0.19 H new ATOM 0 HE22 GLN A 118 -4.041 8.021 0.265 1.00 0.19 H new ATOM 1734 N GLU A 119 -0.686 8.475 5.312 1.00 0.19 N ATOM 1735 CA GLU A 119 0.478 9.309 5.595 1.00 0.22 C ATOM 1736 C GLU A 119 1.777 8.527 5.413 1.00 0.20 C ATOM 1737 O GLU A 119 2.796 9.081 4.995 1.00 0.26 O ATOM 1738 CB GLU A 119 0.393 9.866 7.016 1.00 0.27 C ATOM 1739 CG GLU A 119 0.312 8.788 8.082 1.00 0.27 C ATOM 1740 CD GLU A 119 0.137 9.352 9.474 1.00 0.39 C ATOM 1741 OE1 GLU A 119 -0.938 9.929 9.757 1.00 0.47 O ATOM 1742 OE2 GLU A 119 1.062 9.207 10.302 1.00 0.47 O ATOM 0 H GLU A 119 -1.237 8.222 6.132 1.00 0.19 H new ATOM 0 HA GLU A 119 0.481 10.136 4.886 1.00 0.22 H new ATOM 0 HB2 GLU A 119 1.266 10.490 7.207 1.00 0.27 H new ATOM 0 HB3 GLU A 119 -0.483 10.510 7.094 1.00 0.27 H new ATOM 0 HG2 GLU A 119 -0.522 8.123 7.857 1.00 0.27 H new ATOM 0 HG3 GLU A 119 1.219 8.184 8.051 1.00 0.27 H new ATOM 1749 N GLN A 120 1.724 7.237 5.710 1.00 0.17 N ATOM 1750 CA GLN A 120 2.905 6.390 5.676 1.00 0.18 C ATOM 1751 C GLN A 120 3.312 6.023 4.258 1.00 0.17 C ATOM 1752 O GLN A 120 4.499 6.030 3.926 1.00 0.18 O ATOM 1753 CB GLN A 120 2.661 5.132 6.495 1.00 0.19 C ATOM 1754 CG GLN A 120 2.889 5.343 7.978 1.00 0.23 C ATOM 1755 CD GLN A 120 4.339 5.635 8.296 1.00 0.27 C ATOM 1756 OE1 GLN A 120 5.235 5.157 7.444 1.00 0.32 O flip ATOM 1757 NE2 GLN A 120 4.651 6.304 9.280 1.00 0.25 N flip ATOM 0 H GLN A 120 0.868 6.752 5.979 1.00 0.17 H new ATOM 0 HA GLN A 120 3.729 6.958 6.109 1.00 0.18 H new ATOM 0 HB2 GLN A 120 1.638 4.792 6.334 1.00 0.19 H new ATOM 0 HB3 GLN A 120 3.320 4.339 6.140 1.00 0.19 H new ATOM 0 HG2 GLN A 120 2.269 6.169 8.326 1.00 0.23 H new ATOM 0 HG3 GLN A 120 2.571 4.454 8.523 1.00 0.23 H new ATOM 0 HE21 GLN A 120 3.928 6.652 9.910 1.00 0.25 H new ATOM 0 HE22 GLN A 120 5.632 6.511 9.466 1.00 0.25 H new ATOM 1766 N ILE A 121 2.333 5.697 3.429 1.00 0.17 N ATOM 1767 CA ILE A 121 2.608 5.339 2.048 1.00 0.18 C ATOM 1768 C ILE A 121 3.232 6.522 1.313 1.00 0.21 C ATOM 1769 O ILE A 121 4.127 6.344 0.493 1.00 0.21 O ATOM 1770 CB ILE A 121 1.332 4.860 1.317 1.00 0.19 C ATOM 1771 CG1 ILE A 121 1.665 4.348 -0.088 1.00 0.19 C ATOM 1772 CG2 ILE A 121 0.298 5.972 1.238 1.00 0.22 C ATOM 1773 CD1 ILE A 121 2.578 3.143 -0.101 1.00 0.19 C ATOM 0 H ILE A 121 1.346 5.673 3.687 1.00 0.17 H new ATOM 0 HA ILE A 121 3.314 4.509 2.052 1.00 0.18 H new ATOM 0 HB ILE A 121 0.910 4.037 1.895 1.00 0.19 H new ATOM 0 HG12 ILE A 121 0.737 4.094 -0.601 1.00 0.19 H new ATOM 0 HG13 ILE A 121 2.133 5.152 -0.656 1.00 0.19 H new ATOM 0 HG21 ILE A 121 -0.589 5.608 0.719 1.00 0.22 H new ATOM 0 HG22 ILE A 121 0.025 6.288 2.245 1.00 0.22 H new ATOM 0 HG23 ILE A 121 0.715 6.819 0.693 1.00 0.22 H new ATOM 0 HD11 ILE A 121 2.767 2.841 -1.131 1.00 0.19 H new ATOM 0 HD12 ILE A 121 3.522 3.396 0.382 1.00 0.19 H new ATOM 0 HD13 ILE A 121 2.104 2.322 0.437 1.00 0.19 H new ATOM 1785 N GLN A 122 2.787 7.728 1.657 1.00 0.26 N ATOM 1786 CA GLN A 122 3.343 8.950 1.085 1.00 0.33 C ATOM 1787 C GLN A 122 4.844 9.006 1.331 1.00 0.27 C ATOM 1788 O GLN A 122 5.630 9.295 0.426 1.00 0.26 O ATOM 1789 CB GLN A 122 2.678 10.180 1.715 1.00 0.50 C ATOM 1790 CG GLN A 122 1.280 10.466 1.195 1.00 0.75 C ATOM 1791 CD GLN A 122 0.579 11.565 1.966 1.00 0.63 C ATOM 1792 OE1 GLN A 122 0.719 12.748 1.656 1.00 1.00 O ATOM 1793 NE2 GLN A 122 -0.199 11.181 2.961 1.00 0.39 N ATOM 0 H GLN A 122 2.039 7.885 2.333 1.00 0.26 H new ATOM 0 HA GLN A 122 3.152 8.948 0.012 1.00 0.33 H new ATOM 0 HB2 GLN A 122 2.630 10.040 2.795 1.00 0.50 H new ATOM 0 HB3 GLN A 122 3.307 11.052 1.534 1.00 0.50 H new ATOM 0 HG2 GLN A 122 1.339 10.747 0.144 1.00 0.75 H new ATOM 0 HG3 GLN A 122 0.684 9.555 1.248 1.00 0.75 H new ATOM 0 HE21 GLN A 122 -0.288 10.190 3.186 1.00 0.39 H new ATOM 0 HE22 GLN A 122 -0.711 11.875 3.505 1.00 0.39 H new ATOM 1802 N SER A 123 5.231 8.696 2.558 1.00 0.27 N ATOM 1803 CA SER A 123 6.626 8.726 2.955 1.00 0.26 C ATOM 1804 C SER A 123 7.427 7.636 2.242 1.00 0.20 C ATOM 1805 O SER A 123 8.539 7.886 1.779 1.00 0.23 O ATOM 1806 CB SER A 123 6.732 8.575 4.470 1.00 0.30 C ATOM 1807 OG SER A 123 5.974 9.579 5.128 1.00 1.03 O ATOM 0 H SER A 123 4.590 8.418 3.301 1.00 0.27 H new ATOM 0 HA SER A 123 7.051 9.686 2.663 1.00 0.26 H new ATOM 0 HB2 SER A 123 6.375 7.589 4.768 1.00 0.30 H new ATOM 0 HB3 SER A 123 7.776 8.642 4.775 1.00 0.30 H new ATOM 0 HG SER A 123 5.019 9.372 5.051 1.00 1.03 H new ATOM 1813 N LEU A 124 6.856 6.438 2.139 1.00 0.16 N ATOM 1814 CA LEU A 124 7.528 5.331 1.460 1.00 0.13 C ATOM 1815 C LEU A 124 7.684 5.645 -0.026 1.00 0.14 C ATOM 1816 O LEU A 124 8.769 5.489 -0.590 1.00 0.17 O ATOM 1817 CB LEU A 124 6.747 4.017 1.673 1.00 0.13 C ATOM 1818 CG LEU A 124 7.372 2.730 1.088 1.00 0.15 C ATOM 1819 CD1 LEU A 124 7.039 2.572 -0.388 1.00 0.18 C ATOM 1820 CD2 LEU A 124 8.880 2.720 1.282 1.00 0.18 C ATOM 0 H LEU A 124 5.936 6.209 2.514 1.00 0.16 H new ATOM 0 HA LEU A 124 8.523 5.203 1.887 1.00 0.13 H new ATOM 0 HB2 LEU A 124 6.613 3.872 2.745 1.00 0.13 H new ATOM 0 HB3 LEU A 124 5.754 4.139 1.241 1.00 0.13 H new ATOM 0 HG LEU A 124 6.942 1.887 1.630 1.00 0.15 H new ATOM 0 HD11 LEU A 124 7.494 1.657 -0.768 1.00 0.18 H new ATOM 0 HD12 LEU A 124 5.958 2.519 -0.513 1.00 0.18 H new ATOM 0 HD13 LEU A 124 7.427 3.427 -0.942 1.00 0.18 H new ATOM 0 HD21 LEU A 124 9.295 1.804 0.862 1.00 0.18 H new ATOM 0 HD22 LEU A 124 9.317 3.581 0.777 1.00 0.18 H new ATOM 0 HD23 LEU A 124 9.110 2.768 2.346 1.00 0.18 H new ATOM 1832 N MET A 125 6.603 6.110 -0.644 1.00 0.15 N ATOM 1833 CA MET A 125 6.607 6.429 -2.066 1.00 0.18 C ATOM 1834 C MET A 125 7.712 7.405 -2.407 1.00 0.20 C ATOM 1835 O MET A 125 8.537 7.138 -3.270 1.00 0.24 O ATOM 1836 CB MET A 125 5.270 7.044 -2.472 1.00 0.21 C ATOM 1837 CG MET A 125 4.119 6.057 -2.486 1.00 0.21 C ATOM 1838 SD MET A 125 2.516 6.871 -2.573 1.00 0.26 S ATOM 1839 CE MET A 125 2.850 8.103 -3.824 1.00 0.25 C ATOM 0 H MET A 125 5.710 6.275 -0.179 1.00 0.15 H new ATOM 0 HA MET A 125 6.773 5.499 -2.610 1.00 0.18 H new ATOM 0 HB2 MET A 125 5.031 7.856 -1.785 1.00 0.21 H new ATOM 0 HB3 MET A 125 5.370 7.485 -3.464 1.00 0.21 H new ATOM 0 HG2 MET A 125 4.229 5.387 -3.338 1.00 0.21 H new ATOM 0 HG3 MET A 125 4.162 5.441 -1.588 1.00 0.21 H new ATOM 0 HE1 MET A 125 1.911 8.438 -4.265 1.00 0.25 H new ATOM 0 HE2 MET A 125 3.361 8.952 -3.371 1.00 0.25 H new ATOM 0 HE3 MET A 125 3.482 7.671 -4.600 1.00 0.25 H new ATOM 1849 N LYS A 126 7.760 8.507 -1.688 1.00 0.20 N ATOM 1850 CA LYS A 126 8.730 9.552 -1.973 1.00 0.26 C ATOM 1851 C LYS A 126 10.127 9.109 -1.588 1.00 0.29 C ATOM 1852 O LYS A 126 11.084 9.458 -2.251 1.00 0.41 O ATOM 1853 CB LYS A 126 8.348 10.840 -1.246 1.00 0.31 C ATOM 1854 CG LYS A 126 6.936 11.311 -1.565 1.00 0.32 C ATOM 1855 CD LYS A 126 6.739 11.541 -3.056 1.00 0.46 C ATOM 1856 CE LYS A 126 5.287 11.847 -3.382 1.00 0.60 C ATOM 1857 NZ LYS A 126 5.086 12.105 -4.831 1.00 1.34 N ATOM 0 H LYS A 126 7.141 8.705 -0.902 1.00 0.20 H new ATOM 0 HA LYS A 126 8.725 9.746 -3.046 1.00 0.26 H new ATOM 0 HB2 LYS A 126 8.438 10.683 -0.171 1.00 0.31 H new ATOM 0 HB3 LYS A 126 9.055 11.625 -1.514 1.00 0.31 H new ATOM 0 HG2 LYS A 126 6.218 10.570 -1.214 1.00 0.32 H new ATOM 0 HG3 LYS A 126 6.731 12.235 -1.025 1.00 0.32 H new ATOM 0 HD2 LYS A 126 7.369 12.367 -3.385 1.00 0.46 H new ATOM 0 HD3 LYS A 126 7.059 10.657 -3.608 1.00 0.46 H new ATOM 0 HE2 LYS A 126 4.661 11.010 -3.072 1.00 0.60 H new ATOM 0 HE3 LYS A 126 4.962 12.716 -2.810 1.00 0.60 H new ATOM 0 HZ1 LYS A 126 4.082 12.310 -5.011 1.00 1.34 H new ATOM 0 HZ2 LYS A 126 5.663 12.920 -5.122 1.00 1.34 H new ATOM 0 HZ3 LYS A 126 5.372 11.266 -5.376 1.00 1.34 H new ATOM 1871 N PHE A 127 10.240 8.301 -0.552 1.00 0.25 N ATOM 1872 CA PHE A 127 11.541 7.822 -0.106 1.00 0.30 C ATOM 1873 C PHE A 127 12.311 7.171 -1.253 1.00 0.35 C ATOM 1874 O PHE A 127 13.509 7.397 -1.418 1.00 0.43 O ATOM 1875 CB PHE A 127 11.370 6.823 1.035 1.00 0.28 C ATOM 1876 CG PHE A 127 12.661 6.226 1.505 1.00 0.33 C ATOM 1877 CD1 PHE A 127 13.082 4.993 1.040 1.00 0.39 C ATOM 1878 CD2 PHE A 127 13.446 6.894 2.428 1.00 0.41 C ATOM 1879 CE1 PHE A 127 14.264 4.436 1.488 1.00 0.45 C ATOM 1880 CE2 PHE A 127 14.626 6.346 2.877 1.00 0.47 C ATOM 1881 CZ PHE A 127 15.067 5.124 2.342 1.00 0.47 C ATOM 0 H PHE A 127 9.451 7.961 -0.002 1.00 0.25 H new ATOM 0 HA PHE A 127 12.113 8.680 0.247 1.00 0.30 H new ATOM 0 HB2 PHE A 127 10.883 7.321 1.873 1.00 0.28 H new ATOM 0 HB3 PHE A 127 10.706 6.022 0.710 1.00 0.28 H new ATOM 0 HD1 PHE A 127 12.480 4.460 0.319 1.00 0.39 H new ATOM 0 HD2 PHE A 127 13.129 7.857 2.801 1.00 0.41 H new ATOM 0 HE1 PHE A 127 14.552 3.449 1.158 1.00 0.45 H new ATOM 0 HE2 PHE A 127 15.208 6.851 3.634 1.00 0.47 H new ATOM 0 HZ PHE A 127 16.038 4.734 2.608 1.00 0.47 H new ATOM 1891 N MET A 128 11.619 6.370 -2.048 1.00 0.36 N ATOM 1892 CA MET A 128 12.258 5.693 -3.166 1.00 0.46 C ATOM 1893 C MET A 128 12.034 6.438 -4.483 1.00 0.47 C ATOM 1894 O MET A 128 12.821 6.303 -5.418 1.00 0.57 O ATOM 1895 CB MET A 128 11.757 4.252 -3.288 1.00 0.54 C ATOM 1896 CG MET A 128 10.246 4.118 -3.363 1.00 0.53 C ATOM 1897 SD MET A 128 9.724 2.496 -3.950 1.00 1.04 S ATOM 1898 CE MET A 128 10.455 2.464 -5.584 1.00 1.63 C ATOM 0 H MET A 128 10.624 6.174 -1.942 1.00 0.36 H new ATOM 0 HA MET A 128 13.329 5.680 -2.964 1.00 0.46 H new ATOM 0 HB2 MET A 128 12.194 3.802 -4.179 1.00 0.54 H new ATOM 0 HB3 MET A 128 12.118 3.681 -2.433 1.00 0.54 H new ATOM 0 HG2 MET A 128 9.819 4.298 -2.376 1.00 0.53 H new ATOM 0 HG3 MET A 128 9.849 4.886 -4.027 1.00 0.53 H new ATOM 0 HE1 MET A 128 9.841 1.852 -6.245 1.00 1.63 H new ATOM 0 HE2 MET A 128 10.512 3.479 -5.977 1.00 1.63 H new ATOM 0 HE3 MET A 128 11.458 2.041 -5.526 1.00 1.63 H new ATOM 1908 N SER A 129 10.972 7.228 -4.552 1.00 0.46 N ATOM 1909 CA SER A 129 10.612 7.906 -5.793 1.00 0.56 C ATOM 1910 C SER A 129 11.159 9.335 -5.847 1.00 0.62 C ATOM 1911 O SER A 129 10.986 10.031 -6.848 1.00 0.91 O ATOM 1912 CB SER A 129 9.089 7.912 -5.965 1.00 0.75 C ATOM 1913 OG SER A 129 8.712 8.290 -7.279 1.00 1.11 O ATOM 0 H SER A 129 10.346 7.416 -3.769 1.00 0.46 H new ATOM 0 HA SER A 129 11.068 7.353 -6.615 1.00 0.56 H new ATOM 0 HB2 SER A 129 8.694 6.921 -5.744 1.00 0.75 H new ATOM 0 HB3 SER A 129 8.644 8.600 -5.246 1.00 0.75 H new ATOM 0 HG SER A 129 8.871 7.543 -7.893 1.00 1.11 H new ATOM 1919 N MET A 130 11.822 9.777 -4.783 1.00 0.61 N ATOM 1920 CA MET A 130 12.437 11.095 -4.767 1.00 0.70 C ATOM 1921 C MET A 130 13.646 11.149 -5.694 1.00 0.96 C ATOM 1922 O MET A 130 13.889 10.226 -6.476 1.00 1.30 O ATOM 1923 CB MET A 130 12.860 11.491 -3.349 1.00 0.85 C ATOM 1924 CG MET A 130 11.780 12.227 -2.580 1.00 2.09 C ATOM 1925 SD MET A 130 12.359 12.852 -0.989 1.00 3.01 S ATOM 1926 CE MET A 130 10.881 13.671 -0.391 1.00 3.86 C ATOM 0 H MET A 130 11.946 9.242 -3.924 1.00 0.61 H new ATOM 0 HA MET A 130 11.689 11.804 -5.122 1.00 0.70 H new ATOM 0 HB2 MET A 130 13.140 10.593 -2.798 1.00 0.85 H new ATOM 0 HB3 MET A 130 13.748 12.120 -3.406 1.00 0.85 H new ATOM 0 HG2 MET A 130 11.415 13.060 -3.181 1.00 2.09 H new ATOM 0 HG3 MET A 130 10.936 11.557 -2.417 1.00 2.09 H new ATOM 0 HE1 MET A 130 11.155 14.417 0.355 1.00 3.86 H new ATOM 0 HE2 MET A 130 10.374 14.159 -1.223 1.00 3.86 H new ATOM 0 HE3 MET A 130 10.214 12.935 0.059 1.00 3.86 H new ATOM 1936 N LYS A 131 14.385 12.248 -5.608 1.00 1.29 N ATOM 1937 CA LYS A 131 15.609 12.430 -6.378 1.00 1.78 C ATOM 1938 C LYS A 131 16.542 11.229 -6.226 1.00 2.07 C ATOM 1939 O LYS A 131 16.814 10.559 -7.243 1.00 2.37 O ATOM 1940 CB LYS A 131 16.319 13.722 -5.958 1.00 2.34 C ATOM 1941 CG LYS A 131 16.538 13.848 -4.460 1.00 2.54 C ATOM 1942 CD LYS A 131 17.456 15.015 -4.125 1.00 3.36 C ATOM 1943 CE LYS A 131 16.822 16.360 -4.460 1.00 3.86 C ATOM 1944 NZ LYS A 131 15.655 16.661 -3.590 1.00 4.40 N ATOM 1945 OXT LYS A 131 16.964 10.931 -5.088 1.00 2.62 O ATOM 0 H LYS A 131 14.153 13.037 -5.004 1.00 1.29 H new ATOM 0 HA LYS A 131 15.336 12.509 -7.430 1.00 1.78 H new ATOM 0 HB2 LYS A 131 17.284 13.774 -6.462 1.00 2.34 H new ATOM 0 HB3 LYS A 131 15.734 14.575 -6.302 1.00 2.34 H new ATOM 0 HG2 LYS A 131 15.578 13.984 -3.961 1.00 2.54 H new ATOM 0 HG3 LYS A 131 16.969 12.923 -4.075 1.00 2.54 H new ATOM 0 HD2 LYS A 131 17.705 14.987 -3.064 1.00 3.36 H new ATOM 0 HD3 LYS A 131 18.391 14.909 -4.675 1.00 3.36 H new ATOM 0 HE2 LYS A 131 17.567 17.148 -4.352 1.00 3.86 H new ATOM 0 HE3 LYS A 131 16.506 16.361 -5.503 1.00 3.86 H new ATOM 0 HZ1 LYS A 131 15.371 17.653 -3.721 1.00 4.40 H new ATOM 0 HZ2 LYS A 131 14.863 16.037 -3.844 1.00 4.40 H new ATOM 0 HZ3 LYS A 131 15.914 16.504 -2.595 1.00 4.40 H new TER 1959 LYS A 131