USER MOD reduce.3.24.130724 H: found=0, std=0, add=992, rem=0, adj=49 USER MOD reduce.3.24.130724 removed 995 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 129 SER OG : rot 96:sc= 1.29 USER MOD Set 1.2: A 131 LYS NZ :NH3+ -124:sc= 0.0895 (180deg=0) USER MOD Set 2.1: A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 95 THR OG1 : rot 180:sc= 0.425 USER MOD Set 2.3: A 103 THR OG1 : rot -92:sc= 0.435 USER MOD Set 3.1: A 78 LYS NZ :NH3+ -175:sc= -0.105 (180deg=-0.186) USER MOD Set 3.2: A 98 ASN : amide:sc= -0.156 X(o=-0.26,f=-0.019) USER MOD Set 4.1: A 28 THR OG1 : rot 92:sc= 2.31 USER MOD Set 4.2: A 45 THR OG1 : rot 62:sc= 1.32 USER MOD Single : A 11 SER OG : rot -145:sc= 1.35 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 166:sc= -0.081 (180deg=-0.383) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0828) USER MOD Single : A 21 MET CE :methyl -134:sc= -0.121 (180deg=-0.647) USER MOD Single : A 22 GLN :FLIP amide:sc= -2.63! C(o=-3.8!,f=-2.6!) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -97:sc= -0.0694 (180deg=-1.19) USER MOD Single : A 32 LYS NZ :NH3+ 159:sc= -0.087 (180deg=-0.504) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 159:sc= 1.06 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 SER OG : rot 43:sc= 0.356 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 180:sc= -4.5! USER MOD Single : A 47 SER OG : rot 180:sc= 0.0318 USER MOD Single : A 48 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00397) USER MOD Single : A 54 GLN : amide:sc= 0.105 K(o=0.1,f=-2.9) USER MOD Single : A 57 LYS NZ :NH3+ -108:sc= 0.111 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -138:sc= -1.35 (180deg=-3.63!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot -170:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.0338 X(o=-0.034,f=-0.52) USER MOD Single : A 68 LYS NZ :NH3+ 167:sc= -0.006 (180deg=-0.132) USER MOD Single : A 69 LYS NZ :NH3+ -111:sc= 0.0188 (180deg=-0.707) USER MOD Single : A 71 SER OG : rot -35:sc= 0.388 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= -0.351 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 GLN :FLIP amide:sc= -3.73! C(o=-4.5!,f=-3.7!) USER MOD Single : A 88 ASN :FLIP amide:sc= -0.575 F(o=-1.5,f=-0.57) USER MOD Single : A 89 THR OG1 : rot 0:sc= 0.887 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -0.333 K(o=-0.33,f=-3.2!) USER MOD Single : A 100 GLN :FLIP amide:sc=-0.00153 F(o=-0.99,f=-0.0015) USER MOD Single : A 102 THR OG1 : rot 68:sc= 0.925 USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 ASN :FLIP amide:sc= -0.239 F(o=-3!,f=-0.24) USER MOD Single : A 107 THR OG1 : rot -130:sc= -1.46! USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 73:sc= 0.898 USER MOD Single : A 118 GLN :FLIP amide:sc= -4.03! C(o=-4.6!,f=-4!) USER MOD Single : A 120 GLN :FLIP amide:sc= -0.98 F(o=-3!,f=-0.98) USER MOD Single : A 122 GLN : amide:sc= 0.865 K(o=0.86,f=0) USER MOD Single : A 123 SER OG : rot 77:sc= 0.196 USER MOD Single : A 125 MET CE :methyl 158:sc= -0.0702 (180deg=-0.939) USER MOD Single : A 126 LYS NZ :NH3+ 167:sc= -0.021 (180deg=-0.227) USER MOD Single : A 128 MET CE :methyl 138:sc= -0.33 (180deg=-3!) USER MOD Single : A 130 MET CE :methyl -122:sc= -1.22 (180deg=-2.32!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 11 25.294 2.210 3.885 1.00 1.07 N ATOM 2 CA SER A 11 25.029 1.912 2.464 1.00 1.09 C ATOM 3 C SER A 11 23.651 2.424 2.070 1.00 0.93 C ATOM 4 O SER A 11 22.653 2.105 2.714 1.00 0.81 O ATOM 5 CB SER A 11 25.125 0.404 2.231 1.00 1.17 C ATOM 6 OG SER A 11 24.566 0.026 0.982 1.00 1.81 O ATOM 0 HA SER A 11 25.773 2.414 1.845 1.00 1.09 H new ATOM 0 HB2 SER A 11 26.170 0.096 2.269 1.00 1.17 H new ATOM 0 HB3 SER A 11 24.608 -0.121 3.034 1.00 1.17 H new ATOM 0 HG SER A 11 24.143 -0.854 1.066 1.00 1.81 H new ATOM 14 N ALA A 12 23.611 3.222 1.002 1.00 0.96 N ATOM 15 CA ALA A 12 22.374 3.836 0.528 1.00 0.88 C ATOM 16 C ALA A 12 21.335 2.789 0.144 1.00 0.77 C ATOM 17 O ALA A 12 20.133 3.011 0.276 1.00 0.67 O ATOM 18 CB ALA A 12 22.664 4.739 -0.658 1.00 0.97 C ATOM 0 H ALA A 12 24.432 3.459 0.445 1.00 0.96 H new ATOM 0 HA ALA A 12 21.962 4.428 1.346 1.00 0.88 H new ATOM 0 HB1 ALA A 12 21.736 5.193 -1.005 1.00 0.97 H new ATOM 0 HB2 ALA A 12 23.361 5.522 -0.358 1.00 0.97 H new ATOM 0 HB3 ALA A 12 23.104 4.151 -1.464 1.00 0.97 H new ATOM 24 N SER A 13 21.805 1.653 -0.340 1.00 0.87 N ATOM 25 CA SER A 13 20.932 0.575 -0.719 1.00 0.84 C ATOM 26 C SER A 13 20.449 -0.191 0.510 1.00 0.73 C ATOM 27 O SER A 13 19.267 -0.511 0.632 1.00 0.63 O ATOM 28 CB SER A 13 21.691 -0.342 -1.663 1.00 1.03 C ATOM 29 OG SER A 13 22.220 0.388 -2.758 1.00 1.64 O ATOM 0 H SER A 13 22.797 1.460 -0.478 1.00 0.87 H new ATOM 0 HA SER A 13 20.049 0.973 -1.219 1.00 0.84 H new ATOM 0 HB2 SER A 13 22.500 -0.836 -1.125 1.00 1.03 H new ATOM 0 HB3 SER A 13 21.027 -1.125 -2.029 1.00 1.03 H new ATOM 0 HG SER A 13 22.706 -0.221 -3.353 1.00 1.64 H new ATOM 35 N ASP A 14 21.366 -0.452 1.434 1.00 0.79 N ATOM 36 CA ASP A 14 21.053 -1.241 2.621 1.00 0.78 C ATOM 37 C ASP A 14 20.193 -0.457 3.600 1.00 0.63 C ATOM 38 O ASP A 14 19.312 -1.025 4.247 1.00 0.59 O ATOM 39 CB ASP A 14 22.328 -1.717 3.316 1.00 0.93 C ATOM 40 CG ASP A 14 23.059 -2.782 2.524 1.00 1.74 C ATOM 41 OD1 ASP A 14 22.882 -3.979 2.824 1.00 1.88 O ATOM 42 OD2 ASP A 14 23.811 -2.426 1.592 1.00 2.69 O ATOM 0 H ASP A 14 22.332 -0.129 1.385 1.00 0.79 H new ATOM 0 HA ASP A 14 20.488 -2.112 2.288 1.00 0.78 H new ATOM 0 HB2 ASP A 14 22.991 -0.866 3.473 1.00 0.93 H new ATOM 0 HB3 ASP A 14 22.076 -2.110 4.301 1.00 0.93 H new ATOM 47 N ILE A 15 20.440 0.846 3.715 1.00 0.59 N ATOM 48 CA ILE A 15 19.629 1.682 4.588 1.00 0.50 C ATOM 49 C ILE A 15 18.187 1.693 4.099 1.00 0.39 C ATOM 50 O ILE A 15 17.252 1.674 4.888 1.00 0.35 O ATOM 51 CB ILE A 15 20.149 3.136 4.705 1.00 0.52 C ATOM 52 CG1 ILE A 15 19.371 3.864 5.796 1.00 0.50 C ATOM 53 CG2 ILE A 15 20.030 3.889 3.391 1.00 0.53 C ATOM 54 CD1 ILE A 15 19.824 3.512 7.192 1.00 0.58 C ATOM 0 H ILE A 15 21.185 1.338 3.221 1.00 0.59 H new ATOM 0 HA ILE A 15 19.693 1.244 5.584 1.00 0.50 H new ATOM 0 HB ILE A 15 21.207 3.097 4.963 1.00 0.52 H new ATOM 0 HG12 ILE A 15 19.473 4.939 5.649 1.00 0.50 H new ATOM 0 HG13 ILE A 15 18.312 3.628 5.695 1.00 0.50 H new ATOM 0 HG21 ILE A 15 20.406 4.904 3.518 1.00 0.53 H new ATOM 0 HG22 ILE A 15 20.614 3.379 2.625 1.00 0.53 H new ATOM 0 HG23 ILE A 15 18.984 3.925 3.086 1.00 0.53 H new ATOM 0 HD11 ILE A 15 19.229 4.065 7.918 1.00 0.58 H new ATOM 0 HD12 ILE A 15 19.696 2.442 7.357 1.00 0.58 H new ATOM 0 HD13 ILE A 15 20.875 3.774 7.310 1.00 0.58 H new ATOM 66 N ARG A 16 18.020 1.706 2.786 1.00 0.40 N ATOM 67 CA ARG A 16 16.702 1.655 2.189 1.00 0.34 C ATOM 68 C ARG A 16 16.020 0.342 2.524 1.00 0.29 C ATOM 69 O ARG A 16 14.865 0.330 2.920 1.00 0.24 O ATOM 70 CB ARG A 16 16.807 1.824 0.674 1.00 0.41 C ATOM 71 CG ARG A 16 15.538 1.455 -0.073 1.00 0.40 C ATOM 72 CD ARG A 16 15.782 1.393 -1.566 1.00 0.51 C ATOM 73 NE ARG A 16 14.638 0.831 -2.278 1.00 1.04 N ATOM 74 CZ ARG A 16 14.500 0.850 -3.599 1.00 1.14 C ATOM 75 NH1 ARG A 16 15.419 1.428 -4.361 1.00 0.97 N ATOM 76 NH2 ARG A 16 13.442 0.285 -4.158 1.00 1.88 N ATOM 0 H ARG A 16 18.786 1.752 2.114 1.00 0.40 H new ATOM 0 HA ARG A 16 16.102 2.470 2.595 1.00 0.34 H new ATOM 0 HB2 ARG A 16 17.061 2.860 0.450 1.00 0.41 H new ATOM 0 HB3 ARG A 16 17.627 1.208 0.305 1.00 0.41 H new ATOM 0 HG2 ARG A 16 15.173 0.490 0.279 1.00 0.40 H new ATOM 0 HG3 ARG A 16 14.760 2.188 0.141 1.00 0.40 H new ATOM 0 HD2 ARG A 16 15.989 2.395 -1.943 1.00 0.51 H new ATOM 0 HD3 ARG A 16 16.667 0.789 -1.765 1.00 0.51 H new ATOM 0 HE ARG A 16 13.898 0.396 -1.726 1.00 1.04 H new ATOM 0 HH11 ARG A 16 16.237 1.861 -3.933 1.00 0.97 H new ATOM 0 HH12 ARG A 16 15.307 1.439 -5.375 1.00 0.97 H new ATOM 0 HH21 ARG A 16 12.735 -0.163 -3.575 1.00 1.88 H new ATOM 0 HH22 ARG A 16 13.333 0.298 -5.172 1.00 1.88 H new ATOM 90 N MET A 17 16.752 -0.754 2.387 1.00 0.34 N ATOM 91 CA MET A 17 16.203 -2.077 2.655 1.00 0.35 C ATOM 92 C MET A 17 15.652 -2.170 4.074 1.00 0.31 C ATOM 93 O MET A 17 14.585 -2.735 4.298 1.00 0.31 O ATOM 94 CB MET A 17 17.269 -3.153 2.441 1.00 0.43 C ATOM 95 CG MET A 17 17.730 -3.276 0.999 1.00 0.50 C ATOM 96 SD MET A 17 19.134 -4.394 0.807 1.00 0.63 S ATOM 97 CE MET A 17 18.431 -5.932 1.403 1.00 1.78 C ATOM 0 H MET A 17 17.728 -0.754 2.092 1.00 0.34 H new ATOM 0 HA MET A 17 15.383 -2.242 1.956 1.00 0.35 H new ATOM 0 HB2 MET A 17 18.130 -2.929 3.071 1.00 0.43 H new ATOM 0 HB3 MET A 17 16.874 -4.114 2.770 1.00 0.43 H new ATOM 0 HG2 MET A 17 16.902 -3.632 0.387 1.00 0.50 H new ATOM 0 HG3 MET A 17 18.003 -2.290 0.624 1.00 0.50 H new ATOM 0 HE1 MET A 17 19.079 -6.762 1.121 1.00 1.78 H new ATOM 0 HE2 MET A 17 18.341 -5.894 2.489 1.00 1.78 H new ATOM 0 HE3 MET A 17 17.445 -6.076 0.962 1.00 1.78 H new ATOM 107 N LYS A 18 16.376 -1.607 5.035 1.00 0.31 N ATOM 108 CA LYS A 18 15.902 -1.606 6.411 1.00 0.32 C ATOM 109 C LYS A 18 14.777 -0.593 6.579 1.00 0.28 C ATOM 110 O LYS A 18 13.836 -0.812 7.337 1.00 0.31 O ATOM 111 CB LYS A 18 17.036 -1.297 7.402 1.00 0.39 C ATOM 112 CG LYS A 18 17.521 0.149 7.387 1.00 0.48 C ATOM 113 CD LYS A 18 18.342 0.470 8.622 1.00 0.64 C ATOM 114 CE LYS A 18 19.629 -0.342 8.671 1.00 1.12 C ATOM 115 NZ LYS A 18 20.420 -0.061 9.898 1.00 1.61 N ATOM 0 H LYS A 18 17.278 -1.153 4.890 1.00 0.31 H new ATOM 0 HA LYS A 18 15.527 -2.605 6.631 1.00 0.32 H new ATOM 0 HB2 LYS A 18 16.697 -1.541 8.409 1.00 0.39 H new ATOM 0 HB3 LYS A 18 17.880 -1.951 7.182 1.00 0.39 H new ATOM 0 HG2 LYS A 18 18.121 0.324 6.494 1.00 0.48 H new ATOM 0 HG3 LYS A 18 16.665 0.821 7.333 1.00 0.48 H new ATOM 0 HD2 LYS A 18 18.582 1.533 8.633 1.00 0.64 H new ATOM 0 HD3 LYS A 18 17.750 0.268 9.515 1.00 0.64 H new ATOM 0 HE2 LYS A 18 19.389 -1.404 8.630 1.00 1.12 H new ATOM 0 HE3 LYS A 18 20.233 -0.118 7.792 1.00 1.12 H new ATOM 0 HZ1 LYS A 18 21.287 -0.635 9.891 1.00 1.61 H new ATOM 0 HZ2 LYS A 18 20.672 0.948 9.925 1.00 1.61 H new ATOM 0 HZ3 LYS A 18 19.855 -0.299 10.738 1.00 1.61 H new ATOM 129 N LYS A 19 14.876 0.513 5.851 1.00 0.25 N ATOM 130 CA LYS A 19 13.943 1.617 5.998 1.00 0.24 C ATOM 131 C LYS A 19 12.590 1.289 5.374 1.00 0.19 C ATOM 132 O LYS A 19 11.546 1.649 5.916 1.00 0.22 O ATOM 133 CB LYS A 19 14.528 2.882 5.372 1.00 0.27 C ATOM 134 CG LYS A 19 14.533 4.082 6.303 1.00 0.33 C ATOM 135 CD LYS A 19 13.124 4.508 6.672 1.00 0.38 C ATOM 136 CE LYS A 19 13.126 5.603 7.725 1.00 0.47 C ATOM 137 NZ LYS A 19 13.861 6.813 7.276 1.00 0.99 N ATOM 0 H LYS A 19 15.600 0.667 5.149 1.00 0.25 H new ATOM 0 HA LYS A 19 13.783 1.787 7.063 1.00 0.24 H new ATOM 0 HB2 LYS A 19 15.550 2.678 5.052 1.00 0.27 H new ATOM 0 HB3 LYS A 19 13.957 3.131 4.477 1.00 0.27 H new ATOM 0 HG2 LYS A 19 15.089 3.839 7.208 1.00 0.33 H new ATOM 0 HG3 LYS A 19 15.051 4.913 5.824 1.00 0.33 H new ATOM 0 HD2 LYS A 19 12.605 4.861 5.781 1.00 0.38 H new ATOM 0 HD3 LYS A 19 12.569 3.647 7.044 1.00 0.38 H new ATOM 0 HE2 LYS A 19 12.098 5.873 7.967 1.00 0.47 H new ATOM 0 HE3 LYS A 19 13.580 5.223 8.640 1.00 0.47 H new ATOM 0 HZ1 LYS A 19 13.722 7.579 7.966 1.00 0.99 H new ATOM 0 HZ2 LYS A 19 14.875 6.595 7.200 1.00 0.99 H new ATOM 0 HZ3 LYS A 19 13.501 7.113 6.348 1.00 0.99 H new ATOM 151 N VAL A 20 12.609 0.606 4.239 1.00 0.16 N ATOM 152 CA VAL A 20 11.377 0.211 3.575 1.00 0.15 C ATOM 153 C VAL A 20 10.625 -0.803 4.420 1.00 0.17 C ATOM 154 O VAL A 20 9.407 -0.844 4.394 1.00 0.19 O ATOM 155 CB VAL A 20 11.606 -0.356 2.157 1.00 0.17 C ATOM 156 CG1 VAL A 20 12.286 0.673 1.277 1.00 0.18 C ATOM 157 CG2 VAL A 20 12.419 -1.634 2.196 1.00 0.21 C ATOM 0 H VAL A 20 13.461 0.315 3.760 1.00 0.16 H new ATOM 0 HA VAL A 20 10.782 1.118 3.463 1.00 0.15 H new ATOM 0 HB VAL A 20 10.630 -0.593 1.733 1.00 0.17 H new ATOM 0 HG11 VAL A 20 12.439 0.256 0.282 1.00 0.18 H new ATOM 0 HG12 VAL A 20 11.659 1.562 1.205 1.00 0.18 H new ATOM 0 HG13 VAL A 20 13.249 0.942 1.710 1.00 0.18 H new ATOM 0 HG21 VAL A 20 12.561 -2.006 1.181 1.00 0.21 H new ATOM 0 HG22 VAL A 20 13.390 -1.434 2.649 1.00 0.21 H new ATOM 0 HG23 VAL A 20 11.891 -2.383 2.786 1.00 0.21 H new ATOM 167 N MET A 21 11.364 -1.625 5.163 1.00 0.19 N ATOM 168 CA MET A 21 10.755 -2.577 6.084 1.00 0.25 C ATOM 169 C MET A 21 10.019 -1.844 7.203 1.00 0.25 C ATOM 170 O MET A 21 9.000 -2.321 7.705 1.00 0.27 O ATOM 171 CB MET A 21 11.812 -3.519 6.666 1.00 0.38 C ATOM 172 CG MET A 21 12.308 -4.558 5.672 1.00 1.02 C ATOM 173 SD MET A 21 11.027 -5.743 5.202 1.00 2.01 S ATOM 174 CE MET A 21 10.728 -6.559 6.771 1.00 2.72 C ATOM 0 H MET A 21 12.384 -1.649 5.144 1.00 0.19 H new ATOM 0 HA MET A 21 10.032 -3.175 5.528 1.00 0.25 H new ATOM 0 HB2 MET A 21 12.659 -2.930 7.018 1.00 0.38 H new ATOM 0 HB3 MET A 21 11.395 -4.028 7.535 1.00 0.38 H new ATOM 0 HG2 MET A 21 12.675 -4.053 4.778 1.00 1.02 H new ATOM 0 HG3 MET A 21 13.152 -5.095 6.105 1.00 1.02 H new ATOM 0 HE1 MET A 21 10.696 -7.638 6.620 1.00 2.72 H new ATOM 0 HE2 MET A 21 11.530 -6.314 7.467 1.00 2.72 H new ATOM 0 HE3 MET A 21 9.776 -6.222 7.181 1.00 2.72 H new ATOM 184 N GLN A 22 10.532 -0.675 7.575 1.00 0.26 N ATOM 185 CA GLN A 22 9.876 0.170 8.568 1.00 0.29 C ATOM 186 C GLN A 22 8.555 0.679 8.004 1.00 0.26 C ATOM 187 O GLN A 22 7.516 0.629 8.665 1.00 0.31 O ATOM 188 CB GLN A 22 10.763 1.361 8.942 1.00 0.33 C ATOM 189 CG GLN A 22 12.216 0.991 9.176 1.00 0.40 C ATOM 190 CD GLN A 22 13.081 2.186 9.527 1.00 0.60 C ATOM 191 OE1 GLN A 22 14.315 2.190 9.038 1.00 1.05 O flip ATOM 192 NE2 GLN A 22 12.633 3.123 10.190 1.00 0.52 N flip ATOM 0 H GLN A 22 11.401 -0.291 7.203 1.00 0.26 H new ATOM 0 HA GLN A 22 9.696 -0.423 9.465 1.00 0.29 H new ATOM 0 HB2 GLN A 22 10.710 2.105 8.147 1.00 0.33 H new ATOM 0 HB3 GLN A 22 10.367 1.829 9.843 1.00 0.33 H new ATOM 0 HG2 GLN A 22 12.274 0.258 9.981 1.00 0.40 H new ATOM 0 HG3 GLN A 22 12.612 0.513 8.280 1.00 0.40 H new ATOM 0 HE21 GLN A 22 11.679 3.083 10.549 1.00 0.52 H new ATOM 0 HE22 GLN A 22 13.216 3.938 10.380 1.00 0.52 H new ATOM 201 N TYR A 23 8.611 1.160 6.766 1.00 0.20 N ATOM 202 CA TYR A 23 7.424 1.622 6.058 1.00 0.19 C ATOM 203 C TYR A 23 6.476 0.458 5.789 1.00 0.17 C ATOM 204 O TYR A 23 5.258 0.602 5.861 1.00 0.18 O ATOM 205 CB TYR A 23 7.817 2.283 4.732 1.00 0.17 C ATOM 206 CG TYR A 23 8.474 3.634 4.894 1.00 0.21 C ATOM 207 CD1 TYR A 23 9.794 3.823 4.526 1.00 0.24 C ATOM 208 CD2 TYR A 23 7.781 4.716 5.422 1.00 0.26 C ATOM 209 CE1 TYR A 23 10.410 5.049 4.673 1.00 0.29 C ATOM 210 CE2 TYR A 23 8.390 5.946 5.575 1.00 0.31 C ATOM 211 CZ TYR A 23 9.658 6.132 5.181 1.00 0.32 C ATOM 212 OH TYR A 23 10.316 7.332 5.339 1.00 0.38 O ATOM 0 H TYR A 23 9.475 1.240 6.229 1.00 0.20 H new ATOM 0 HA TYR A 23 6.917 2.355 6.685 1.00 0.19 H new ATOM 0 HB2 TYR A 23 8.496 1.621 4.195 1.00 0.17 H new ATOM 0 HB3 TYR A 23 6.926 2.395 4.115 1.00 0.17 H new ATOM 0 HD1 TYR A 23 10.353 2.995 4.116 1.00 0.24 H new ATOM 0 HD2 TYR A 23 6.749 4.593 5.718 1.00 0.26 H new ATOM 0 HE1 TYR A 23 11.448 5.178 4.405 1.00 0.29 H new ATOM 0 HE2 TYR A 23 7.840 6.765 6.016 1.00 0.31 H new ATOM 0 HH TYR A 23 9.695 8.001 5.694 1.00 0.38 H new ATOM 222 N ARG A 24 7.066 -0.692 5.502 1.00 0.17 N ATOM 223 CA ARG A 24 6.334 -1.902 5.155 1.00 0.17 C ATOM 224 C ARG A 24 5.361 -2.293 6.256 1.00 0.17 C ATOM 225 O ARG A 24 4.239 -2.695 5.982 1.00 0.19 O ATOM 226 CB ARG A 24 7.328 -3.037 4.898 1.00 0.18 C ATOM 227 CG ARG A 24 6.729 -4.261 4.231 1.00 0.21 C ATOM 228 CD ARG A 24 7.818 -5.233 3.811 1.00 0.25 C ATOM 229 NE ARG A 24 7.290 -6.351 3.036 1.00 0.33 N ATOM 230 CZ ARG A 24 7.734 -7.600 3.132 1.00 0.47 C ATOM 231 NH1 ARG A 24 8.719 -7.897 3.973 1.00 0.57 N ATOM 232 NH2 ARG A 24 7.205 -8.551 2.371 1.00 0.57 N ATOM 0 H ARG A 24 8.079 -0.814 5.503 1.00 0.17 H new ATOM 0 HA ARG A 24 5.752 -1.711 4.253 1.00 0.17 H new ATOM 0 HB2 ARG A 24 8.138 -2.659 4.274 1.00 0.18 H new ATOM 0 HB3 ARG A 24 7.771 -3.337 5.848 1.00 0.18 H new ATOM 0 HG2 ARG A 24 6.040 -4.754 4.917 1.00 0.21 H new ATOM 0 HG3 ARG A 24 6.149 -3.959 3.359 1.00 0.21 H new ATOM 0 HD2 ARG A 24 8.566 -4.705 3.220 1.00 0.25 H new ATOM 0 HD3 ARG A 24 8.324 -5.615 4.698 1.00 0.25 H new ATOM 0 HE ARG A 24 6.533 -6.162 2.379 1.00 0.33 H new ATOM 0 HH11 ARG A 24 9.137 -7.165 4.548 1.00 0.57 H new ATOM 0 HH12 ARG A 24 9.057 -8.857 4.044 1.00 0.57 H new ATOM 0 HH21 ARG A 24 6.459 -8.322 1.714 1.00 0.57 H new ATOM 0 HH22 ARG A 24 7.545 -9.510 2.443 1.00 0.57 H new ATOM 246 N ARG A 25 5.793 -2.152 7.498 1.00 0.18 N ATOM 247 CA ARG A 25 4.963 -2.504 8.645 1.00 0.18 C ATOM 248 C ARG A 25 3.746 -1.591 8.745 1.00 0.17 C ATOM 249 O ARG A 25 2.655 -2.032 9.105 1.00 0.20 O ATOM 250 CB ARG A 25 5.792 -2.433 9.917 1.00 0.22 C ATOM 251 CG ARG A 25 6.945 -3.415 9.904 1.00 0.32 C ATOM 252 CD ARG A 25 7.838 -3.238 11.106 1.00 0.73 C ATOM 253 NE ARG A 25 9.002 -4.118 11.038 1.00 1.44 N ATOM 254 CZ ARG A 25 10.179 -3.856 11.603 1.00 2.11 C ATOM 255 NH1 ARG A 25 10.349 -2.760 12.332 1.00 2.44 N ATOM 256 NH2 ARG A 25 11.186 -4.704 11.443 1.00 2.87 N ATOM 0 H ARG A 25 6.717 -1.795 7.741 1.00 0.18 H new ATOM 0 HA ARG A 25 4.600 -3.523 8.511 1.00 0.18 H new ATOM 0 HB2 ARG A 25 6.180 -1.422 10.040 1.00 0.22 H new ATOM 0 HB3 ARG A 25 5.153 -2.636 10.777 1.00 0.22 H new ATOM 0 HG2 ARG A 25 6.556 -4.433 9.885 1.00 0.32 H new ATOM 0 HG3 ARG A 25 7.529 -3.280 8.993 1.00 0.32 H new ATOM 0 HD2 ARG A 25 8.167 -2.201 11.167 1.00 0.73 H new ATOM 0 HD3 ARG A 25 7.274 -3.448 12.015 1.00 0.73 H new ATOM 0 HE ARG A 25 8.907 -4.993 10.522 1.00 1.44 H new ATOM 0 HH11 ARG A 25 9.574 -2.110 12.463 1.00 2.44 H new ATOM 0 HH12 ARG A 25 11.254 -2.568 12.761 1.00 2.44 H new ATOM 0 HH21 ARG A 25 11.056 -5.551 10.890 1.00 2.87 H new ATOM 0 HH22 ARG A 25 12.090 -4.509 11.873 1.00 2.87 H new ATOM 270 N ALA A 26 3.932 -0.324 8.396 1.00 0.17 N ATOM 271 CA ALA A 26 2.842 0.643 8.414 1.00 0.19 C ATOM 272 C ALA A 26 1.971 0.496 7.176 1.00 0.19 C ATOM 273 O ALA A 26 0.876 1.055 7.094 1.00 0.28 O ATOM 274 CB ALA A 26 3.389 2.053 8.491 1.00 0.23 C ATOM 0 H ALA A 26 4.829 0.058 8.097 1.00 0.17 H new ATOM 0 HA ALA A 26 2.232 0.449 9.296 1.00 0.19 H new ATOM 0 HB1 ALA A 26 2.563 2.764 8.504 1.00 0.23 H new ATOM 0 HB2 ALA A 26 3.978 2.165 9.401 1.00 0.23 H new ATOM 0 HB3 ALA A 26 4.020 2.246 7.624 1.00 0.23 H new ATOM 280 N LEU A 27 2.486 -0.236 6.207 1.00 0.15 N ATOM 281 CA LEU A 27 1.769 -0.504 4.971 1.00 0.15 C ATOM 282 C LEU A 27 1.116 -1.887 5.005 1.00 0.17 C ATOM 283 O LEU A 27 0.259 -2.196 4.181 1.00 0.21 O ATOM 284 CB LEU A 27 2.732 -0.389 3.785 1.00 0.15 C ATOM 285 CG LEU A 27 2.818 0.990 3.107 1.00 0.15 C ATOM 286 CD1 LEU A 27 2.706 2.126 4.115 1.00 0.15 C ATOM 287 CD2 LEU A 27 4.127 1.109 2.348 1.00 0.16 C ATOM 0 H LEU A 27 3.412 -0.662 6.252 1.00 0.15 H new ATOM 0 HA LEU A 27 0.974 0.233 4.859 1.00 0.15 H new ATOM 0 HB2 LEU A 27 3.730 -0.665 4.126 1.00 0.15 H new ATOM 0 HB3 LEU A 27 2.438 -1.122 3.034 1.00 0.15 H new ATOM 0 HG LEU A 27 1.978 1.072 2.417 1.00 0.15 H new ATOM 0 HD11 LEU A 27 2.771 3.082 3.595 1.00 0.15 H new ATOM 0 HD12 LEU A 27 1.749 2.060 4.633 1.00 0.15 H new ATOM 0 HD13 LEU A 27 3.517 2.051 4.839 1.00 0.15 H new ATOM 0 HD21 LEU A 27 4.183 2.087 1.870 1.00 0.16 H new ATOM 0 HD22 LEU A 27 4.961 0.996 3.041 1.00 0.16 H new ATOM 0 HD23 LEU A 27 4.179 0.330 1.587 1.00 0.16 H new ATOM 299 N THR A 28 1.499 -2.704 5.981 1.00 0.17 N ATOM 300 CA THR A 28 0.958 -4.054 6.104 1.00 0.15 C ATOM 301 C THR A 28 -0.210 -4.097 7.075 1.00 0.17 C ATOM 302 O THR A 28 -0.032 -4.052 8.294 1.00 0.19 O ATOM 303 CB THR A 28 2.051 -5.044 6.559 1.00 0.17 C ATOM 304 OG1 THR A 28 3.148 -5.013 5.639 1.00 0.20 O ATOM 305 CG2 THR A 28 1.517 -6.463 6.656 1.00 0.20 C ATOM 0 H THR A 28 2.181 -2.456 6.698 1.00 0.17 H new ATOM 0 HA THR A 28 0.598 -4.350 5.119 1.00 0.15 H new ATOM 0 HB THR A 28 2.384 -4.737 7.550 1.00 0.17 H new ATOM 0 HG1 THR A 28 3.812 -4.360 5.944 1.00 0.20 H new ATOM 0 HG21 THR A 28 2.315 -7.131 6.979 1.00 0.20 H new ATOM 0 HG22 THR A 28 0.701 -6.496 7.378 1.00 0.20 H new ATOM 0 HG23 THR A 28 1.150 -6.781 5.680 1.00 0.20 H new ATOM 313 N LYS A 29 -1.410 -4.182 6.515 1.00 0.17 N ATOM 314 CA LYS A 29 -2.626 -4.165 7.294 1.00 0.22 C ATOM 315 C LYS A 29 -3.780 -4.853 6.602 1.00 0.19 C ATOM 316 O LYS A 29 -3.681 -5.258 5.452 1.00 0.18 O ATOM 317 CB LYS A 29 -3.029 -2.766 7.650 1.00 0.31 C ATOM 318 CG LYS A 29 -2.590 -1.719 6.694 1.00 0.61 C ATOM 319 CD LYS A 29 -1.269 -1.136 7.160 1.00 0.72 C ATOM 320 CE LYS A 29 -1.422 -0.302 8.427 1.00 0.44 C ATOM 321 NZ LYS A 29 -2.341 0.847 8.232 1.00 0.79 N ATOM 0 H LYS A 29 -1.560 -4.264 5.509 1.00 0.17 H new ATOM 0 HA LYS A 29 -2.398 -4.723 8.202 1.00 0.22 H new ATOM 0 HB2 LYS A 29 -4.115 -2.728 7.732 1.00 0.31 H new ATOM 0 HB3 LYS A 29 -2.626 -2.528 8.635 1.00 0.31 H new ATOM 0 HG2 LYS A 29 -2.481 -2.144 5.696 1.00 0.61 H new ATOM 0 HG3 LYS A 29 -3.343 -0.934 6.626 1.00 0.61 H new ATOM 0 HD2 LYS A 29 -0.561 -1.945 7.343 1.00 0.72 H new ATOM 0 HD3 LYS A 29 -0.848 -0.517 6.368 1.00 0.72 H new ATOM 0 HE2 LYS A 29 -1.797 -0.933 9.233 1.00 0.44 H new ATOM 0 HE3 LYS A 29 -0.444 0.065 8.739 1.00 0.44 H new ATOM 0 HZ1 LYS A 29 -1.788 1.703 8.026 1.00 0.79 H new ATOM 0 HZ2 LYS A 29 -2.981 0.648 7.437 1.00 0.79 H new ATOM 0 HZ3 LYS A 29 -2.899 0.996 9.097 1.00 0.79 H new ATOM 335 N VAL A 30 -4.875 -4.971 7.326 1.00 0.22 N ATOM 336 CA VAL A 30 -6.124 -5.430 6.762 1.00 0.22 C ATOM 337 C VAL A 30 -6.988 -4.219 6.438 1.00 0.19 C ATOM 338 O VAL A 30 -7.225 -3.363 7.290 1.00 0.23 O ATOM 339 CB VAL A 30 -6.872 -6.389 7.716 1.00 0.30 C ATOM 340 CG1 VAL A 30 -6.096 -7.688 7.870 1.00 0.81 C ATOM 341 CG2 VAL A 30 -7.102 -5.748 9.078 1.00 1.03 C ATOM 0 H VAL A 30 -4.922 -4.751 8.321 1.00 0.22 H new ATOM 0 HA VAL A 30 -5.910 -5.993 5.854 1.00 0.22 H new ATOM 0 HB VAL A 30 -7.847 -6.606 7.278 1.00 0.30 H new ATOM 0 HG11 VAL A 30 -6.633 -8.355 8.544 1.00 0.81 H new ATOM 0 HG12 VAL A 30 -5.989 -8.166 6.896 1.00 0.81 H new ATOM 0 HG13 VAL A 30 -5.109 -7.476 8.280 1.00 0.81 H new ATOM 0 HG21 VAL A 30 -7.630 -6.448 9.725 1.00 1.03 H new ATOM 0 HG22 VAL A 30 -6.142 -5.493 9.527 1.00 1.03 H new ATOM 0 HG23 VAL A 30 -7.699 -4.844 8.958 1.00 1.03 H new ATOM 351 N VAL A 31 -7.413 -4.124 5.197 1.00 0.16 N ATOM 352 CA VAL A 31 -8.141 -2.963 4.726 1.00 0.15 C ATOM 353 C VAL A 31 -9.121 -3.377 3.633 1.00 0.15 C ATOM 354 O VAL A 31 -8.864 -4.311 2.890 1.00 0.18 O ATOM 355 CB VAL A 31 -7.148 -1.890 4.209 1.00 0.18 C ATOM 356 CG1 VAL A 31 -7.529 -1.379 2.836 1.00 0.18 C ATOM 357 CG2 VAL A 31 -7.038 -0.739 5.200 1.00 0.26 C ATOM 0 H VAL A 31 -7.266 -4.843 4.489 1.00 0.16 H new ATOM 0 HA VAL A 31 -8.709 -2.531 5.550 1.00 0.15 H new ATOM 0 HB VAL A 31 -6.173 -2.368 4.117 1.00 0.18 H new ATOM 0 HG11 VAL A 31 -6.806 -0.630 2.513 1.00 0.18 H new ATOM 0 HG12 VAL A 31 -7.533 -2.208 2.128 1.00 0.18 H new ATOM 0 HG13 VAL A 31 -8.522 -0.931 2.877 1.00 0.18 H new ATOM 0 HG21 VAL A 31 -6.337 0.003 4.819 1.00 0.26 H new ATOM 0 HG22 VAL A 31 -8.017 -0.279 5.333 1.00 0.26 H new ATOM 0 HG23 VAL A 31 -6.682 -1.117 6.158 1.00 0.26 H new ATOM 367 N LYS A 32 -10.237 -2.689 3.529 1.00 0.14 N ATOM 368 CA LYS A 32 -11.250 -3.060 2.564 1.00 0.13 C ATOM 369 C LYS A 32 -11.204 -2.134 1.358 1.00 0.12 C ATOM 370 O LYS A 32 -11.395 -0.922 1.478 1.00 0.14 O ATOM 371 CB LYS A 32 -12.625 -3.041 3.233 1.00 0.14 C ATOM 372 CG LYS A 32 -13.685 -3.842 2.500 1.00 0.15 C ATOM 373 CD LYS A 32 -14.526 -2.970 1.587 1.00 0.26 C ATOM 374 CE LYS A 32 -15.715 -3.736 1.033 1.00 0.28 C ATOM 375 NZ LYS A 32 -16.630 -4.198 2.113 1.00 0.67 N ATOM 0 H LYS A 32 -10.466 -1.874 4.097 1.00 0.14 H new ATOM 0 HA LYS A 32 -11.055 -4.071 2.205 1.00 0.13 H new ATOM 0 HB2 LYS A 32 -12.529 -3.429 4.247 1.00 0.14 H new ATOM 0 HB3 LYS A 32 -12.961 -2.008 3.318 1.00 0.14 H new ATOM 0 HG2 LYS A 32 -13.206 -4.625 1.913 1.00 0.15 H new ATOM 0 HG3 LYS A 32 -14.331 -4.337 3.225 1.00 0.15 H new ATOM 0 HD2 LYS A 32 -14.877 -2.097 2.137 1.00 0.26 H new ATOM 0 HD3 LYS A 32 -13.912 -2.603 0.765 1.00 0.26 H new ATOM 0 HE2 LYS A 32 -16.265 -3.100 0.339 1.00 0.28 H new ATOM 0 HE3 LYS A 32 -15.360 -4.596 0.465 1.00 0.28 H new ATOM 0 HZ1 LYS A 32 -17.571 -4.389 1.713 1.00 0.67 H new ATOM 0 HZ2 LYS A 32 -16.252 -5.068 2.540 1.00 0.67 H new ATOM 0 HZ3 LYS A 32 -16.707 -3.460 2.842 1.00 0.67 H new ATOM 389 N LEU A 33 -10.936 -2.714 0.195 1.00 0.12 N ATOM 390 CA LEU A 33 -10.861 -1.947 -1.038 1.00 0.13 C ATOM 391 C LEU A 33 -12.232 -1.786 -1.650 1.00 0.14 C ATOM 392 O LEU A 33 -13.053 -2.703 -1.609 1.00 0.16 O ATOM 393 CB LEU A 33 -9.923 -2.603 -2.050 1.00 0.16 C ATOM 394 CG LEU A 33 -8.439 -2.326 -1.830 1.00 0.18 C ATOM 395 CD1 LEU A 33 -7.597 -3.125 -2.814 1.00 0.21 C ATOM 396 CD2 LEU A 33 -8.165 -0.840 -1.981 1.00 0.18 C ATOM 0 H LEU A 33 -10.767 -3.714 0.082 1.00 0.12 H new ATOM 0 HA LEU A 33 -10.462 -0.965 -0.784 1.00 0.13 H new ATOM 0 HB2 LEU A 33 -10.083 -3.681 -2.025 1.00 0.16 H new ATOM 0 HB3 LEU A 33 -10.196 -2.263 -3.049 1.00 0.16 H new ATOM 0 HG LEU A 33 -8.168 -2.634 -0.820 1.00 0.18 H new ATOM 0 HD11 LEU A 33 -6.541 -2.916 -2.643 1.00 0.21 H new ATOM 0 HD12 LEU A 33 -7.783 -4.189 -2.672 1.00 0.21 H new ATOM 0 HD13 LEU A 33 -7.863 -2.843 -3.833 1.00 0.21 H new ATOM 0 HD21 LEU A 33 -7.104 -0.648 -1.823 1.00 0.18 H new ATOM 0 HD22 LEU A 33 -8.447 -0.518 -2.984 1.00 0.18 H new ATOM 0 HD23 LEU A 33 -8.748 -0.286 -1.245 1.00 0.18 H new ATOM 408 N LYS A 34 -12.474 -0.614 -2.208 1.00 0.15 N ATOM 409 CA LYS A 34 -13.762 -0.309 -2.821 1.00 0.19 C ATOM 410 C LYS A 34 -13.559 0.555 -4.050 1.00 0.21 C ATOM 411 O LYS A 34 -13.240 1.734 -3.936 1.00 0.23 O ATOM 412 CB LYS A 34 -14.670 0.435 -1.840 1.00 0.22 C ATOM 413 CG LYS A 34 -14.747 -0.197 -0.460 1.00 0.23 C ATOM 414 CD LYS A 34 -15.722 0.537 0.450 1.00 0.47 C ATOM 415 CE LYS A 34 -15.413 2.022 0.535 1.00 0.45 C ATOM 416 NZ LYS A 34 -16.404 2.749 1.369 1.00 0.84 N ATOM 0 H LYS A 34 -11.796 0.147 -2.251 1.00 0.15 H new ATOM 0 HA LYS A 34 -14.233 -1.252 -3.100 1.00 0.19 H new ATOM 0 HB2 LYS A 34 -14.314 1.460 -1.738 1.00 0.22 H new ATOM 0 HB3 LYS A 34 -15.674 0.487 -2.260 1.00 0.22 H new ATOM 0 HG2 LYS A 34 -15.054 -1.239 -0.555 1.00 0.23 H new ATOM 0 HG3 LYS A 34 -13.756 -0.197 -0.005 1.00 0.23 H new ATOM 0 HD2 LYS A 34 -16.738 0.399 0.080 1.00 0.47 H new ATOM 0 HD3 LYS A 34 -15.684 0.101 1.448 1.00 0.47 H new ATOM 0 HE2 LYS A 34 -14.416 2.162 0.952 1.00 0.45 H new ATOM 0 HE3 LYS A 34 -15.401 2.448 -0.468 1.00 0.45 H new ATOM 0 HZ1 LYS A 34 -16.157 3.759 1.401 1.00 0.84 H new ATOM 0 HZ2 LYS A 34 -17.352 2.638 0.957 1.00 0.84 H new ATOM 0 HZ3 LYS A 34 -16.398 2.360 2.334 1.00 0.84 H new ATOM 430 N THR A 35 -13.722 -0.031 -5.219 1.00 0.23 N ATOM 431 CA THR A 35 -13.571 0.703 -6.462 1.00 0.26 C ATOM 432 C THR A 35 -14.085 -0.144 -7.630 1.00 0.28 C ATOM 433 O THR A 35 -14.748 -1.154 -7.399 1.00 0.28 O ATOM 434 CB THR A 35 -12.091 1.141 -6.656 1.00 0.27 C ATOM 435 OG1 THR A 35 -11.880 1.726 -7.947 1.00 0.34 O ATOM 436 CG2 THR A 35 -11.134 -0.023 -6.453 1.00 0.27 C ATOM 0 H THR A 35 -13.960 -1.016 -5.336 1.00 0.23 H new ATOM 0 HA THR A 35 -14.170 1.613 -6.426 1.00 0.26 H new ATOM 0 HB THR A 35 -11.885 1.896 -5.897 1.00 0.27 H new ATOM 0 HG1 THR A 35 -11.073 2.281 -7.926 1.00 0.34 H new ATOM 0 HG21 THR A 35 -10.109 0.319 -6.596 1.00 0.27 H new ATOM 0 HG22 THR A 35 -11.248 -0.415 -5.442 1.00 0.27 H new ATOM 0 HG23 THR A 35 -11.358 -0.809 -7.175 1.00 0.27 H new ATOM 444 N HIS A 36 -13.785 0.252 -8.865 1.00 0.33 N ATOM 445 CA HIS A 36 -14.195 -0.517 -10.044 1.00 0.38 C ATOM 446 C HIS A 36 -13.433 -1.840 -10.099 1.00 0.34 C ATOM 447 O HIS A 36 -13.774 -2.750 -10.857 1.00 0.37 O ATOM 448 CB HIS A 36 -13.963 0.290 -11.327 1.00 0.48 C ATOM 449 CG HIS A 36 -14.818 1.517 -11.424 1.00 1.31 C ATOM 450 ND1 HIS A 36 -14.344 2.740 -11.851 1.00 2.07 N ATOM 451 CD2 HIS A 36 -16.132 1.703 -11.153 1.00 2.25 C ATOM 452 CE1 HIS A 36 -15.325 3.621 -11.832 1.00 2.94 C ATOM 453 NE2 HIS A 36 -16.419 3.017 -11.414 1.00 3.02 N ATOM 0 H HIS A 36 -13.260 1.100 -9.078 1.00 0.33 H new ATOM 0 HA HIS A 36 -15.261 -0.729 -9.965 1.00 0.38 H new ATOM 0 HB2 HIS A 36 -12.914 0.583 -11.378 1.00 0.48 H new ATOM 0 HB3 HIS A 36 -14.158 -0.348 -12.189 1.00 0.48 H new ATOM 0 HD2 HIS A 36 -16.825 0.955 -10.797 1.00 2.25 H new ATOM 0 HE1 HIS A 36 -15.245 4.661 -12.112 1.00 2.94 H new ATOM 0 HE2 HIS A 36 -17.332 3.457 -11.303 1.00 3.02 H new ATOM 462 N LEU A 37 -12.397 -1.924 -9.278 1.00 0.32 N ATOM 463 CA LEU A 37 -11.652 -3.157 -9.073 1.00 0.33 C ATOM 464 C LEU A 37 -12.570 -4.187 -8.418 1.00 0.31 C ATOM 465 O LEU A 37 -12.826 -5.256 -8.977 1.00 0.36 O ATOM 466 CB LEU A 37 -10.458 -2.867 -8.158 1.00 0.38 C ATOM 467 CG LEU A 37 -9.448 -3.995 -7.970 1.00 0.46 C ATOM 468 CD1 LEU A 37 -8.576 -4.146 -9.206 1.00 1.00 C ATOM 469 CD2 LEU A 37 -8.601 -3.731 -6.730 1.00 0.32 C ATOM 0 H LEU A 37 -12.048 -1.136 -8.733 1.00 0.32 H new ATOM 0 HA LEU A 37 -11.293 -3.547 -10.026 1.00 0.33 H new ATOM 0 HB2 LEU A 37 -9.929 -2.000 -8.553 1.00 0.38 H new ATOM 0 HB3 LEU A 37 -10.841 -2.587 -7.177 1.00 0.38 H new ATOM 0 HG LEU A 37 -9.986 -4.932 -7.828 1.00 0.46 H new ATOM 0 HD11 LEU A 37 -7.863 -4.956 -9.051 1.00 1.00 H new ATOM 0 HD12 LEU A 37 -9.203 -4.375 -10.068 1.00 1.00 H new ATOM 0 HD13 LEU A 37 -8.036 -3.216 -9.386 1.00 1.00 H new ATOM 0 HD21 LEU A 37 -7.882 -4.540 -6.602 1.00 0.32 H new ATOM 0 HD22 LEU A 37 -8.068 -2.787 -6.847 1.00 0.32 H new ATOM 0 HD23 LEU A 37 -9.246 -3.677 -5.853 1.00 0.32 H new ATOM 481 N PHE A 38 -13.064 -3.830 -7.235 1.00 0.26 N ATOM 482 CA PHE A 38 -14.020 -4.636 -6.479 1.00 0.26 C ATOM 483 C PHE A 38 -14.263 -3.986 -5.127 1.00 0.23 C ATOM 484 O PHE A 38 -13.714 -2.919 -4.839 1.00 0.22 O ATOM 485 CB PHE A 38 -13.527 -6.083 -6.281 1.00 0.27 C ATOM 486 CG PHE A 38 -12.170 -6.210 -5.634 1.00 0.32 C ATOM 487 CD1 PHE A 38 -11.060 -6.604 -6.368 1.00 0.73 C ATOM 488 CD2 PHE A 38 -12.005 -5.917 -4.291 1.00 0.67 C ATOM 489 CE1 PHE A 38 -9.820 -6.708 -5.774 1.00 0.82 C ATOM 490 CE2 PHE A 38 -10.767 -6.021 -3.693 1.00 0.71 C ATOM 491 CZ PHE A 38 -9.670 -6.468 -4.450 1.00 0.55 C ATOM 0 H PHE A 38 -12.808 -2.960 -6.768 1.00 0.26 H new ATOM 0 HA PHE A 38 -14.948 -4.682 -7.049 1.00 0.26 H new ATOM 0 HB2 PHE A 38 -14.255 -6.619 -5.672 1.00 0.27 H new ATOM 0 HB3 PHE A 38 -13.498 -6.577 -7.252 1.00 0.27 H new ATOM 0 HD1 PHE A 38 -11.169 -6.832 -7.418 1.00 0.73 H new ATOM 0 HD2 PHE A 38 -12.856 -5.603 -3.705 1.00 0.67 H new ATOM 0 HE1 PHE A 38 -8.962 -6.983 -6.369 1.00 0.82 H new ATOM 0 HE2 PHE A 38 -10.641 -5.761 -2.652 1.00 0.71 H new ATOM 0 HZ PHE A 38 -8.711 -6.619 -3.977 1.00 0.55 H new ATOM 501 N SER A 39 -15.088 -4.620 -4.311 1.00 0.23 N ATOM 502 CA SER A 39 -15.259 -4.204 -2.934 1.00 0.22 C ATOM 503 C SER A 39 -15.126 -5.417 -2.017 1.00 0.22 C ATOM 504 O SER A 39 -16.071 -6.186 -1.855 1.00 0.28 O ATOM 505 CB SER A 39 -16.621 -3.527 -2.754 1.00 0.27 C ATOM 506 OG SER A 39 -17.668 -4.333 -3.273 1.00 0.34 O ATOM 0 H SER A 39 -15.650 -5.427 -4.582 1.00 0.23 H new ATOM 0 HA SER A 39 -14.486 -3.481 -2.672 1.00 0.22 H new ATOM 0 HB2 SER A 39 -16.797 -3.335 -1.696 1.00 0.27 H new ATOM 0 HB3 SER A 39 -16.619 -2.560 -3.258 1.00 0.27 H new ATOM 0 HG SER A 39 -17.523 -5.266 -3.011 1.00 0.34 H new ATOM 512 N GLU A 40 -13.950 -5.561 -1.407 1.00 0.20 N ATOM 513 CA GLU A 40 -13.628 -6.711 -0.556 1.00 0.24 C ATOM 514 C GLU A 40 -12.545 -6.326 0.440 1.00 0.18 C ATOM 515 O GLU A 40 -11.811 -5.361 0.224 1.00 0.15 O ATOM 516 CB GLU A 40 -13.123 -7.896 -1.393 1.00 0.33 C ATOM 517 CG GLU A 40 -14.188 -8.585 -2.233 1.00 0.47 C ATOM 518 CD GLU A 40 -15.179 -9.369 -1.396 1.00 1.15 C ATOM 519 OE1 GLU A 40 -16.156 -8.775 -0.895 1.00 1.45 O ATOM 520 OE2 GLU A 40 -14.994 -10.595 -1.243 1.00 2.08 O ATOM 0 H GLU A 40 -13.191 -4.884 -1.488 1.00 0.20 H new ATOM 0 HA GLU A 40 -14.539 -7.006 -0.035 1.00 0.24 H new ATOM 0 HB2 GLU A 40 -12.331 -7.544 -2.054 1.00 0.33 H new ATOM 0 HB3 GLU A 40 -12.677 -8.631 -0.723 1.00 0.33 H new ATOM 0 HG2 GLU A 40 -14.724 -7.837 -2.817 1.00 0.47 H new ATOM 0 HG3 GLU A 40 -13.706 -9.258 -2.942 1.00 0.47 H new ATOM 527 N THR A 41 -12.445 -7.080 1.522 1.00 0.20 N ATOM 528 CA THR A 41 -11.406 -6.853 2.511 1.00 0.19 C ATOM 529 C THR A 41 -10.115 -7.528 2.071 1.00 0.18 C ATOM 530 O THR A 41 -10.087 -8.731 1.803 1.00 0.23 O ATOM 531 CB THR A 41 -11.819 -7.365 3.901 1.00 0.25 C ATOM 532 OG1 THR A 41 -13.030 -6.717 4.318 1.00 0.32 O ATOM 533 CG2 THR A 41 -10.723 -7.110 4.929 1.00 0.27 C ATOM 0 H THR A 41 -13.072 -7.855 1.737 1.00 0.20 H new ATOM 0 HA THR A 41 -11.250 -5.777 2.587 1.00 0.19 H new ATOM 0 HB THR A 41 -11.982 -8.441 3.832 1.00 0.25 H new ATOM 0 HG1 THR A 41 -13.290 -7.048 5.203 1.00 0.32 H new ATOM 0 HG21 THR A 41 -11.043 -7.482 5.902 1.00 0.27 H new ATOM 0 HG22 THR A 41 -9.812 -7.625 4.625 1.00 0.27 H new ATOM 0 HG23 THR A 41 -10.529 -6.039 4.996 1.00 0.27 H new ATOM 541 N VAL A 42 -9.059 -6.744 1.979 1.00 0.16 N ATOM 542 CA VAL A 42 -7.785 -7.225 1.494 1.00 0.16 C ATOM 543 C VAL A 42 -6.696 -6.921 2.514 1.00 0.16 C ATOM 544 O VAL A 42 -6.845 -6.033 3.351 1.00 0.23 O ATOM 545 CB VAL A 42 -7.429 -6.564 0.139 1.00 0.15 C ATOM 546 CG1 VAL A 42 -8.606 -6.663 -0.825 1.00 0.16 C ATOM 547 CG2 VAL A 42 -7.012 -5.108 0.326 1.00 0.15 C ATOM 0 H VAL A 42 -9.062 -5.758 2.238 1.00 0.16 H new ATOM 0 HA VAL A 42 -7.857 -8.303 1.347 1.00 0.16 H new ATOM 0 HB VAL A 42 -6.581 -7.102 -0.286 1.00 0.15 H new ATOM 0 HG11 VAL A 42 -8.341 -6.194 -1.773 1.00 0.16 H new ATOM 0 HG12 VAL A 42 -8.850 -7.712 -0.995 1.00 0.16 H new ATOM 0 HG13 VAL A 42 -9.470 -6.154 -0.398 1.00 0.16 H new ATOM 0 HG21 VAL A 42 -6.768 -4.672 -0.643 1.00 0.15 H new ATOM 0 HG22 VAL A 42 -7.831 -4.550 0.779 1.00 0.15 H new ATOM 0 HG23 VAL A 42 -6.138 -5.060 0.975 1.00 0.15 H new ATOM 557 N LYS A 43 -5.620 -7.673 2.475 1.00 0.13 N ATOM 558 CA LYS A 43 -4.478 -7.368 3.306 1.00 0.14 C ATOM 559 C LYS A 43 -3.417 -6.672 2.479 1.00 0.13 C ATOM 560 O LYS A 43 -2.954 -7.209 1.481 1.00 0.15 O ATOM 561 CB LYS A 43 -3.911 -8.630 3.949 1.00 0.17 C ATOM 562 CG LYS A 43 -2.670 -8.363 4.782 1.00 0.26 C ATOM 563 CD LYS A 43 -2.353 -9.522 5.701 1.00 0.34 C ATOM 564 CE LYS A 43 -2.047 -10.794 4.934 1.00 0.89 C ATOM 565 NZ LYS A 43 -1.747 -11.926 5.849 1.00 1.61 N ATOM 0 H LYS A 43 -5.511 -8.495 1.881 1.00 0.13 H new ATOM 0 HA LYS A 43 -4.801 -6.704 4.108 1.00 0.14 H new ATOM 0 HB2 LYS A 43 -4.675 -9.085 4.580 1.00 0.17 H new ATOM 0 HB3 LYS A 43 -3.670 -9.352 3.169 1.00 0.17 H new ATOM 0 HG2 LYS A 43 -1.822 -8.179 4.123 1.00 0.26 H new ATOM 0 HG3 LYS A 43 -2.816 -7.459 5.373 1.00 0.26 H new ATOM 0 HD2 LYS A 43 -1.500 -9.264 6.328 1.00 0.34 H new ATOM 0 HD3 LYS A 43 -3.197 -9.696 6.368 1.00 0.34 H new ATOM 0 HE2 LYS A 43 -2.897 -11.052 4.302 1.00 0.89 H new ATOM 0 HE3 LYS A 43 -1.197 -10.625 4.272 1.00 0.89 H new ATOM 0 HZ1 LYS A 43 -1.543 -12.779 5.290 1.00 1.61 H new ATOM 0 HZ2 LYS A 43 -0.921 -11.689 6.435 1.00 1.61 H new ATOM 0 HZ3 LYS A 43 -2.567 -12.103 6.463 1.00 1.61 H new ATOM 579 N VAL A 44 -3.022 -5.492 2.911 1.00 0.13 N ATOM 580 CA VAL A 44 -2.102 -4.669 2.151 1.00 0.14 C ATOM 581 C VAL A 44 -0.700 -4.772 2.713 1.00 0.15 C ATOM 582 O VAL A 44 -0.513 -5.152 3.869 1.00 0.19 O ATOM 583 CB VAL A 44 -2.525 -3.182 2.140 1.00 0.20 C ATOM 584 CG1 VAL A 44 -3.025 -2.787 0.760 1.00 0.35 C ATOM 585 CG2 VAL A 44 -3.594 -2.902 3.193 1.00 0.25 C ATOM 0 H VAL A 44 -3.327 -5.078 3.792 1.00 0.13 H new ATOM 0 HA VAL A 44 -2.122 -5.044 1.128 1.00 0.14 H new ATOM 0 HB VAL A 44 -1.649 -2.581 2.384 1.00 0.20 H new ATOM 0 HG11 VAL A 44 -3.320 -1.738 0.766 1.00 0.35 H new ATOM 0 HG12 VAL A 44 -2.231 -2.937 0.029 1.00 0.35 H new ATOM 0 HG13 VAL A 44 -3.884 -3.403 0.494 1.00 0.35 H new ATOM 0 HG21 VAL A 44 -3.870 -1.848 3.160 1.00 0.25 H new ATOM 0 HG22 VAL A 44 -4.473 -3.514 2.991 1.00 0.25 H new ATOM 0 HG23 VAL A 44 -3.203 -3.144 4.181 1.00 0.25 H new ATOM 595 N THR A 45 0.273 -4.449 1.877 1.00 0.15 N ATOM 596 CA THR A 45 1.673 -4.506 2.245 1.00 0.16 C ATOM 597 C THR A 45 2.507 -3.983 1.079 1.00 0.13 C ATOM 598 O THR A 45 1.959 -3.467 0.106 1.00 0.14 O ATOM 599 CB THR A 45 2.091 -5.952 2.597 1.00 0.19 C ATOM 600 OG1 THR A 45 3.413 -5.974 3.156 1.00 0.21 O ATOM 601 CG2 THR A 45 2.039 -6.855 1.370 1.00 0.20 C ATOM 0 H THR A 45 0.110 -4.138 0.919 1.00 0.15 H new ATOM 0 HA THR A 45 1.840 -3.888 3.127 1.00 0.16 H new ATOM 0 HB THR A 45 1.383 -6.328 3.336 1.00 0.19 H new ATOM 0 HG1 THR A 45 3.424 -5.459 3.990 1.00 0.21 H new ATOM 0 HG21 THR A 45 2.338 -7.865 1.649 1.00 0.20 H new ATOM 0 HG22 THR A 45 1.023 -6.873 0.975 1.00 0.20 H new ATOM 0 HG23 THR A 45 2.718 -6.473 0.608 1.00 0.20 H new ATOM 609 N CYS A 46 3.818 -4.108 1.165 1.00 0.15 N ATOM 610 CA CYS A 46 4.680 -3.682 0.082 1.00 0.14 C ATOM 611 C CYS A 46 5.858 -4.637 -0.072 1.00 0.15 C ATOM 612 O CYS A 46 6.086 -5.493 0.784 1.00 0.19 O ATOM 613 CB CYS A 46 5.166 -2.244 0.306 1.00 0.16 C ATOM 614 SG CYS A 46 6.099 -1.999 1.831 1.00 0.19 S ATOM 0 H CYS A 46 4.306 -4.499 1.970 1.00 0.15 H new ATOM 0 HA CYS A 46 4.103 -3.701 -0.843 1.00 0.14 H new ATOM 0 HB2 CYS A 46 5.790 -1.949 -0.538 1.00 0.16 H new ATOM 0 HB3 CYS A 46 4.303 -1.579 0.312 1.00 0.16 H new ATOM 0 HG CYS A 46 6.463 -0.754 1.922 1.00 0.19 H new ATOM 620 N SER A 47 6.575 -4.501 -1.180 1.00 0.19 N ATOM 621 CA SER A 47 7.769 -5.296 -1.444 1.00 0.27 C ATOM 622 C SER A 47 8.815 -5.113 -0.344 1.00 0.25 C ATOM 623 O SER A 47 8.814 -4.108 0.374 1.00 0.25 O ATOM 624 CB SER A 47 8.360 -4.888 -2.797 1.00 0.41 C ATOM 625 OG SER A 47 9.662 -5.416 -2.982 1.00 1.15 O ATOM 0 H SER A 47 6.346 -3.838 -1.920 1.00 0.19 H new ATOM 0 HA SER A 47 7.485 -6.348 -1.463 1.00 0.27 H new ATOM 0 HB2 SER A 47 7.709 -5.237 -3.598 1.00 0.41 H new ATOM 0 HB3 SER A 47 8.395 -3.801 -2.865 1.00 0.41 H new ATOM 0 HG SER A 47 10.007 -5.137 -3.856 1.00 1.15 H new ATOM 631 N LYS A 48 9.719 -6.089 -0.238 1.00 0.29 N ATOM 632 CA LYS A 48 10.791 -6.054 0.751 1.00 0.31 C ATOM 633 C LYS A 48 11.752 -4.907 0.474 1.00 0.27 C ATOM 634 O LYS A 48 12.496 -4.493 1.357 1.00 0.40 O ATOM 635 CB LYS A 48 11.588 -7.361 0.750 1.00 0.39 C ATOM 636 CG LYS A 48 10.787 -8.599 1.101 1.00 0.56 C ATOM 637 CD LYS A 48 11.715 -9.777 1.349 1.00 0.74 C ATOM 638 CE LYS A 48 10.953 -11.065 1.604 1.00 1.36 C ATOM 639 NZ LYS A 48 10.319 -11.606 0.372 1.00 2.10 N ATOM 0 H LYS A 48 9.727 -6.918 -0.832 1.00 0.29 H new ATOM 0 HA LYS A 48 10.319 -5.914 1.724 1.00 0.31 H new ATOM 0 HB2 LYS A 48 12.029 -7.500 -0.237 1.00 0.39 H new ATOM 0 HB3 LYS A 48 12.412 -7.267 1.457 1.00 0.39 H new ATOM 0 HG2 LYS A 48 10.183 -8.410 1.989 1.00 0.56 H new ATOM 0 HG3 LYS A 48 10.097 -8.835 0.291 1.00 0.56 H new ATOM 0 HD2 LYS A 48 12.370 -9.909 0.488 1.00 0.74 H new ATOM 0 HD3 LYS A 48 12.354 -9.560 2.205 1.00 0.74 H new ATOM 0 HE2 LYS A 48 11.633 -11.810 2.016 1.00 1.36 H new ATOM 0 HE3 LYS A 48 10.184 -10.886 2.356 1.00 1.36 H new ATOM 0 HZ1 LYS A 48 9.840 -12.502 0.593 1.00 2.10 H new ATOM 0 HZ2 LYS A 48 9.624 -10.922 0.010 1.00 2.10 H new ATOM 0 HZ3 LYS A 48 11.049 -11.772 -0.350 1.00 2.10 H new ATOM 653 N ASP A 49 11.760 -4.419 -0.763 1.00 0.27 N ATOM 654 CA ASP A 49 12.626 -3.303 -1.137 1.00 0.27 C ATOM 655 C ASP A 49 11.806 -2.040 -1.352 1.00 0.25 C ATOM 656 O ASP A 49 12.314 -1.027 -1.838 1.00 0.28 O ATOM 657 CB ASP A 49 13.419 -3.618 -2.407 1.00 0.36 C ATOM 658 CG ASP A 49 14.404 -4.751 -2.218 1.00 0.48 C ATOM 659 OD1 ASP A 49 15.428 -4.550 -1.526 1.00 0.71 O ATOM 660 OD2 ASP A 49 14.164 -5.852 -2.759 1.00 0.56 O ATOM 0 H ASP A 49 11.179 -4.776 -1.522 1.00 0.27 H new ATOM 0 HA ASP A 49 13.328 -3.144 -0.318 1.00 0.27 H new ATOM 0 HB2 ASP A 49 12.726 -3.875 -3.208 1.00 0.36 H new ATOM 0 HB3 ASP A 49 13.957 -2.725 -2.725 1.00 0.36 H new ATOM 665 N GLY A 50 10.531 -2.112 -0.993 1.00 0.23 N ATOM 666 CA GLY A 50 9.639 -0.981 -1.165 1.00 0.25 C ATOM 667 C GLY A 50 9.436 -0.611 -2.622 1.00 0.28 C ATOM 668 O GLY A 50 9.115 0.529 -2.940 1.00 0.43 O ATOM 0 H GLY A 50 10.096 -2.939 -0.583 1.00 0.23 H new ATOM 0 HA2 GLY A 50 8.674 -1.214 -0.716 1.00 0.25 H new ATOM 0 HA3 GLY A 50 10.041 -0.121 -0.629 1.00 0.25 H new ATOM 672 N GLU A 51 9.643 -1.573 -3.515 1.00 0.25 N ATOM 673 CA GLU A 51 9.470 -1.330 -4.945 1.00 0.30 C ATOM 674 C GLU A 51 8.012 -1.473 -5.368 1.00 0.22 C ATOM 675 O GLU A 51 7.577 -0.858 -6.340 1.00 0.27 O ATOM 676 CB GLU A 51 10.331 -2.285 -5.769 1.00 0.40 C ATOM 677 CG GLU A 51 11.822 -2.092 -5.567 1.00 0.74 C ATOM 678 CD GLU A 51 12.646 -2.798 -6.622 1.00 1.30 C ATOM 679 OE1 GLU A 51 13.024 -2.153 -7.623 1.00 1.80 O ATOM 680 OE2 GLU A 51 12.922 -4.006 -6.451 1.00 1.99 O ATOM 0 H GLU A 51 9.929 -2.523 -3.277 1.00 0.25 H new ATOM 0 HA GLU A 51 9.787 -0.304 -5.133 1.00 0.30 H new ATOM 0 HB2 GLU A 51 10.068 -3.311 -5.511 1.00 0.40 H new ATOM 0 HB3 GLU A 51 10.096 -2.152 -6.825 1.00 0.40 H new ATOM 0 HG2 GLU A 51 12.053 -1.027 -5.583 1.00 0.74 H new ATOM 0 HG3 GLU A 51 12.103 -2.464 -4.582 1.00 0.74 H new ATOM 687 N GLU A 52 7.262 -2.276 -4.633 1.00 0.24 N ATOM 688 CA GLU A 52 5.879 -2.569 -4.984 1.00 0.21 C ATOM 689 C GLU A 52 4.965 -2.438 -3.784 1.00 0.18 C ATOM 690 O GLU A 52 5.408 -2.554 -2.647 1.00 0.21 O ATOM 691 CB GLU A 52 5.750 -3.992 -5.522 1.00 0.27 C ATOM 692 CG GLU A 52 6.219 -4.174 -6.953 1.00 0.56 C ATOM 693 CD GLU A 52 5.986 -5.585 -7.456 1.00 0.97 C ATOM 694 OE1 GLU A 52 6.638 -6.523 -6.946 1.00 1.29 O ATOM 695 OE2 GLU A 52 5.159 -5.766 -8.377 1.00 1.49 O ATOM 0 H GLU A 52 7.588 -2.740 -3.785 1.00 0.24 H new ATOM 0 HA GLU A 52 5.586 -1.847 -5.747 1.00 0.21 H new ATOM 0 HB2 GLU A 52 6.321 -4.662 -4.879 1.00 0.27 H new ATOM 0 HB3 GLU A 52 4.706 -4.298 -5.455 1.00 0.27 H new ATOM 0 HG2 GLU A 52 5.695 -3.469 -7.598 1.00 0.56 H new ATOM 0 HG3 GLU A 52 7.281 -3.937 -7.019 1.00 0.56 H new ATOM 702 N VAL A 53 3.697 -2.194 -4.056 1.00 0.16 N ATOM 703 CA VAL A 53 2.648 -2.278 -3.055 1.00 0.16 C ATOM 704 C VAL A 53 1.762 -3.466 -3.392 1.00 0.18 C ATOM 705 O VAL A 53 1.224 -3.536 -4.491 1.00 0.34 O ATOM 706 CB VAL A 53 1.781 -1.003 -3.016 1.00 0.17 C ATOM 707 CG1 VAL A 53 0.647 -1.150 -2.013 1.00 0.20 C ATOM 708 CG2 VAL A 53 2.628 0.216 -2.695 1.00 0.21 C ATOM 0 H VAL A 53 3.363 -1.930 -4.983 1.00 0.16 H new ATOM 0 HA VAL A 53 3.115 -2.392 -2.077 1.00 0.16 H new ATOM 0 HB VAL A 53 1.343 -0.862 -4.004 1.00 0.17 H new ATOM 0 HG11 VAL A 53 0.049 -0.238 -2.003 1.00 0.20 H new ATOM 0 HG12 VAL A 53 0.018 -1.994 -2.297 1.00 0.20 H new ATOM 0 HG13 VAL A 53 1.060 -1.324 -1.019 1.00 0.20 H new ATOM 0 HG21 VAL A 53 1.995 1.103 -2.673 1.00 0.21 H new ATOM 0 HG22 VAL A 53 3.102 0.084 -1.722 1.00 0.21 H new ATOM 0 HG23 VAL A 53 3.396 0.337 -3.459 1.00 0.21 H new ATOM 718 N GLN A 54 1.622 -4.394 -2.461 1.00 0.16 N ATOM 719 CA GLN A 54 0.915 -5.635 -2.734 1.00 0.16 C ATOM 720 C GLN A 54 -0.305 -5.761 -1.827 1.00 0.16 C ATOM 721 O GLN A 54 -0.393 -5.085 -0.801 1.00 0.24 O ATOM 722 CB GLN A 54 1.830 -6.842 -2.497 1.00 0.29 C ATOM 723 CG GLN A 54 3.315 -6.587 -2.725 1.00 0.68 C ATOM 724 CD GLN A 54 3.711 -6.592 -4.189 1.00 1.17 C ATOM 725 OE1 GLN A 54 2.932 -6.224 -5.066 1.00 2.12 O ATOM 726 NE2 GLN A 54 4.930 -7.030 -4.465 1.00 0.88 N ATOM 0 H GLN A 54 1.987 -4.313 -1.512 1.00 0.16 H new ATOM 0 HA GLN A 54 0.600 -5.617 -3.777 1.00 0.16 H new ATOM 0 HB2 GLN A 54 1.690 -7.188 -1.473 1.00 0.29 H new ATOM 0 HB3 GLN A 54 1.512 -7.653 -3.153 1.00 0.29 H new ATOM 0 HG2 GLN A 54 3.582 -5.625 -2.288 1.00 0.68 H new ATOM 0 HG3 GLN A 54 3.891 -7.347 -2.198 1.00 0.68 H new ATOM 0 HE21 GLN A 54 5.548 -7.327 -3.710 1.00 0.88 H new ATOM 0 HE22 GLN A 54 5.251 -7.070 -5.432 1.00 0.88 H new ATOM 735 N TRP A 55 -1.241 -6.624 -2.204 1.00 0.14 N ATOM 736 CA TRP A 55 -2.371 -6.943 -1.340 1.00 0.16 C ATOM 737 C TRP A 55 -2.845 -8.380 -1.538 1.00 0.17 C ATOM 738 O TRP A 55 -2.721 -8.958 -2.623 1.00 0.18 O ATOM 739 CB TRP A 55 -3.541 -5.965 -1.533 1.00 0.18 C ATOM 740 CG TRP A 55 -3.845 -5.637 -2.964 1.00 0.18 C ATOM 741 CD1 TRP A 55 -4.574 -6.382 -3.849 1.00 0.22 C ATOM 742 CD2 TRP A 55 -3.439 -4.463 -3.667 1.00 0.19 C ATOM 743 NE1 TRP A 55 -4.633 -5.741 -5.064 1.00 0.23 N ATOM 744 CE2 TRP A 55 -3.943 -4.560 -4.976 1.00 0.21 C ATOM 745 CE3 TRP A 55 -2.689 -3.340 -3.316 1.00 0.24 C ATOM 746 CZ2 TRP A 55 -3.724 -3.573 -5.933 1.00 0.24 C ATOM 747 CZ3 TRP A 55 -2.474 -2.361 -4.263 1.00 0.29 C ATOM 748 CH2 TRP A 55 -2.988 -2.482 -5.559 1.00 0.28 C ATOM 0 H TRP A 55 -1.240 -7.114 -3.099 1.00 0.14 H new ATOM 0 HA TRP A 55 -2.013 -6.838 -0.316 1.00 0.16 H new ATOM 0 HB2 TRP A 55 -4.433 -6.390 -1.073 1.00 0.18 H new ATOM 0 HB3 TRP A 55 -3.317 -5.040 -1.001 1.00 0.18 H new ATOM 0 HD1 TRP A 55 -5.035 -7.333 -3.627 1.00 0.22 H new ATOM 0 HE1 TRP A 55 -5.112 -6.088 -5.895 1.00 0.23 H new ATOM 0 HE3 TRP A 55 -2.284 -3.239 -2.320 1.00 0.24 H new ATOM 0 HZ2 TRP A 55 -4.120 -3.665 -6.933 1.00 0.24 H new ATOM 0 HZ3 TRP A 55 -1.899 -1.486 -4.000 1.00 0.29 H new ATOM 0 HH2 TRP A 55 -2.800 -1.699 -6.278 1.00 0.28 H new ATOM 759 N PHE A 56 -3.366 -8.950 -0.464 1.00 0.21 N ATOM 760 CA PHE A 56 -3.902 -10.301 -0.469 1.00 0.23 C ATOM 761 C PHE A 56 -5.401 -10.246 -0.209 1.00 0.23 C ATOM 762 O PHE A 56 -5.837 -9.853 0.870 1.00 0.26 O ATOM 763 CB PHE A 56 -3.199 -11.147 0.599 1.00 0.26 C ATOM 764 CG PHE A 56 -1.702 -11.138 0.469 1.00 0.30 C ATOM 765 CD1 PHE A 56 -1.067 -11.960 -0.447 1.00 0.45 C ATOM 766 CD2 PHE A 56 -0.930 -10.299 1.257 1.00 0.37 C ATOM 767 CE1 PHE A 56 0.309 -11.946 -0.576 1.00 0.53 C ATOM 768 CE2 PHE A 56 0.446 -10.281 1.134 1.00 0.44 C ATOM 769 CZ PHE A 56 1.065 -11.105 0.217 1.00 0.48 C ATOM 0 H PHE A 56 -3.429 -8.485 0.442 1.00 0.21 H new ATOM 0 HA PHE A 56 -3.726 -10.763 -1.441 1.00 0.23 H new ATOM 0 HB2 PHE A 56 -3.474 -10.776 1.586 1.00 0.26 H new ATOM 0 HB3 PHE A 56 -3.557 -12.174 0.533 1.00 0.26 H new ATOM 0 HD1 PHE A 56 -1.654 -12.620 -1.068 1.00 0.45 H new ATOM 0 HD2 PHE A 56 -1.410 -9.651 1.976 1.00 0.37 H new ATOM 0 HE1 PHE A 56 0.792 -12.591 -1.295 1.00 0.53 H new ATOM 0 HE2 PHE A 56 1.036 -9.623 1.755 1.00 0.44 H new ATOM 0 HZ PHE A 56 2.140 -11.092 0.119 1.00 0.48 H new ATOM 779 N LYS A 57 -6.180 -10.632 -1.204 1.00 0.28 N ATOM 780 CA LYS A 57 -7.626 -10.462 -1.160 1.00 0.29 C ATOM 781 C LYS A 57 -8.297 -11.591 -0.386 1.00 0.35 C ATOM 782 O LYS A 57 -8.024 -12.771 -0.624 1.00 0.54 O ATOM 783 CB LYS A 57 -8.174 -10.403 -2.587 1.00 0.35 C ATOM 784 CG LYS A 57 -7.498 -9.350 -3.447 1.00 0.36 C ATOM 785 CD LYS A 57 -7.796 -9.565 -4.923 1.00 0.55 C ATOM 786 CE LYS A 57 -6.935 -8.668 -5.798 1.00 0.95 C ATOM 787 NZ LYS A 57 -7.149 -8.920 -7.248 1.00 1.20 N ATOM 0 H LYS A 57 -5.835 -11.068 -2.059 1.00 0.28 H new ATOM 0 HA LYS A 57 -7.847 -9.529 -0.641 1.00 0.29 H new ATOM 0 HB2 LYS A 57 -8.051 -11.379 -3.056 1.00 0.35 H new ATOM 0 HB3 LYS A 57 -9.244 -10.199 -2.550 1.00 0.35 H new ATOM 0 HG2 LYS A 57 -7.838 -8.359 -3.146 1.00 0.36 H new ATOM 0 HG3 LYS A 57 -6.421 -9.381 -3.283 1.00 0.36 H new ATOM 0 HD2 LYS A 57 -7.619 -10.609 -5.183 1.00 0.55 H new ATOM 0 HD3 LYS A 57 -8.849 -9.362 -5.117 1.00 0.55 H new ATOM 0 HE2 LYS A 57 -7.159 -7.625 -5.576 1.00 0.95 H new ATOM 0 HE3 LYS A 57 -5.884 -8.827 -5.555 1.00 0.95 H new ATOM 0 HZ1 LYS A 57 -6.318 -9.405 -7.643 1.00 1.20 H new ATOM 0 HZ2 LYS A 57 -7.991 -9.517 -7.376 1.00 1.20 H new ATOM 0 HZ3 LYS A 57 -7.288 -8.015 -7.741 1.00 1.20 H new ATOM 801 N GLY A 58 -9.163 -11.224 0.548 1.00 0.38 N ATOM 802 CA GLY A 58 -9.931 -12.207 1.281 1.00 0.48 C ATOM 803 C GLY A 58 -9.215 -12.713 2.514 1.00 0.73 C ATOM 804 O GLY A 58 -8.890 -11.941 3.417 1.00 1.35 O ATOM 0 H GLY A 58 -9.347 -10.256 0.812 1.00 0.38 H new ATOM 0 HA2 GLY A 58 -10.885 -11.770 1.575 1.00 0.48 H new ATOM 0 HA3 GLY A 58 -10.154 -13.049 0.626 1.00 0.48 H new ATOM 808 N LYS A 59 -8.969 -14.016 2.554 1.00 0.99 N ATOM 809 CA LYS A 59 -8.323 -14.638 3.701 1.00 1.48 C ATOM 810 C LYS A 59 -6.810 -14.476 3.629 1.00 1.81 C ATOM 811 O LYS A 59 -6.222 -13.691 4.374 1.00 2.63 O ATOM 812 CB LYS A 59 -8.686 -16.120 3.783 1.00 1.89 C ATOM 813 CG LYS A 59 -10.172 -16.374 3.975 1.00 2.69 C ATOM 814 CD LYS A 59 -10.509 -17.860 3.985 1.00 3.35 C ATOM 815 CE LYS A 59 -10.124 -18.546 5.293 1.00 4.22 C ATOM 816 NZ LYS A 59 -8.652 -18.704 5.458 1.00 4.98 N ATOM 0 H LYS A 59 -9.208 -14.664 1.803 1.00 0.99 H new ATOM 0 HA LYS A 59 -8.682 -14.136 4.600 1.00 1.48 H new ATOM 0 HB2 LYS A 59 -8.356 -16.617 2.871 1.00 1.89 H new ATOM 0 HB3 LYS A 59 -8.139 -16.574 4.609 1.00 1.89 H new ATOM 0 HG2 LYS A 59 -10.497 -15.924 4.913 1.00 2.69 H new ATOM 0 HG3 LYS A 59 -10.728 -15.883 3.176 1.00 2.69 H new ATOM 0 HD2 LYS A 59 -11.578 -17.986 3.815 1.00 3.35 H new ATOM 0 HD3 LYS A 59 -9.995 -18.350 3.158 1.00 3.35 H new ATOM 0 HE2 LYS A 59 -10.517 -17.968 6.129 1.00 4.22 H new ATOM 0 HE3 LYS A 59 -10.596 -19.528 5.334 1.00 4.22 H new ATOM 0 HZ1 LYS A 59 -8.445 -19.648 5.843 1.00 4.98 H new ATOM 0 HZ2 LYS A 59 -8.186 -18.597 4.535 1.00 4.98 H new ATOM 0 HZ3 LYS A 59 -8.296 -17.978 6.112 1.00 4.98 H new ATOM 830 N SER A 60 -6.188 -15.214 2.721 1.00 1.73 N ATOM 831 CA SER A 60 -4.746 -15.185 2.568 1.00 2.21 C ATOM 832 C SER A 60 -4.347 -15.837 1.253 1.00 1.61 C ATOM 833 O SER A 60 -4.713 -16.980 0.977 1.00 2.01 O ATOM 834 CB SER A 60 -4.073 -15.907 3.739 1.00 3.22 C ATOM 835 OG SER A 60 -2.659 -15.817 3.661 1.00 3.89 O ATOM 0 H SER A 60 -6.666 -15.843 2.076 1.00 1.73 H new ATOM 0 HA SER A 60 -4.416 -14.146 2.562 1.00 2.21 H new ATOM 0 HB2 SER A 60 -4.415 -15.475 4.679 1.00 3.22 H new ATOM 0 HB3 SER A 60 -4.372 -16.955 3.742 1.00 3.22 H new ATOM 0 HG SER A 60 -2.259 -16.286 4.423 1.00 3.89 H new ATOM 841 N THR A 61 -3.611 -15.103 0.438 1.00 1.47 N ATOM 842 CA THR A 61 -3.154 -15.615 -0.842 1.00 1.55 C ATOM 843 C THR A 61 -1.624 -15.639 -0.879 1.00 1.39 C ATOM 844 O THR A 61 -1.016 -15.836 -1.931 1.00 1.72 O ATOM 845 CB THR A 61 -3.694 -14.742 -1.994 1.00 2.37 C ATOM 846 OG1 THR A 61 -5.000 -14.249 -1.659 1.00 2.95 O ATOM 847 CG2 THR A 61 -3.780 -15.536 -3.289 1.00 2.95 C ATOM 0 H THR A 61 -3.316 -14.148 0.640 1.00 1.47 H new ATOM 0 HA THR A 61 -3.531 -16.630 -0.966 1.00 1.55 H new ATOM 0 HB THR A 61 -3.005 -13.910 -2.138 1.00 2.37 H new ATOM 0 HG1 THR A 61 -5.404 -13.830 -2.448 1.00 2.95 H new ATOM 0 HG21 THR A 61 -4.164 -14.896 -4.083 1.00 2.95 H new ATOM 0 HG22 THR A 61 -2.788 -15.897 -3.561 1.00 2.95 H new ATOM 0 HG23 THR A 61 -4.450 -16.385 -3.152 1.00 2.95 H new ATOM 855 N ALA A 62 -1.020 -15.453 0.294 1.00 1.24 N ATOM 856 CA ALA A 62 0.429 -15.325 0.422 1.00 1.29 C ATOM 857 C ALA A 62 1.170 -16.532 -0.135 1.00 1.32 C ATOM 858 O ALA A 62 0.921 -17.674 0.261 1.00 1.69 O ATOM 859 CB ALA A 62 0.806 -15.106 1.873 1.00 1.53 C ATOM 0 H ALA A 62 -1.521 -15.387 1.180 1.00 1.24 H new ATOM 0 HA ALA A 62 0.730 -14.461 -0.170 1.00 1.29 H new ATOM 0 HB1 ALA A 62 1.889 -15.012 1.957 1.00 1.53 H new ATOM 0 HB2 ALA A 62 0.333 -14.194 2.238 1.00 1.53 H new ATOM 0 HB3 ALA A 62 0.468 -15.954 2.469 1.00 1.53 H new ATOM 865 N GLY A 63 2.079 -16.258 -1.062 1.00 1.20 N ATOM 866 CA GLY A 63 2.887 -17.298 -1.660 1.00 1.25 C ATOM 867 C GLY A 63 3.746 -18.029 -0.656 1.00 1.40 C ATOM 868 O GLY A 63 4.619 -17.426 -0.027 1.00 1.99 O ATOM 0 H GLY A 63 2.271 -15.320 -1.413 1.00 1.20 H new ATOM 0 HA2 GLY A 63 2.235 -18.014 -2.161 1.00 1.25 H new ATOM 0 HA3 GLY A 63 3.527 -16.859 -2.425 1.00 1.25 H new ATOM 872 N ALA A 64 3.469 -19.319 -0.502 1.00 1.55 N ATOM 873 CA ALA A 64 4.226 -20.202 0.387 1.00 1.66 C ATOM 874 C ALA A 64 4.312 -19.654 1.807 1.00 1.67 C ATOM 875 O ALA A 64 5.334 -19.809 2.476 1.00 1.74 O ATOM 876 CB ALA A 64 5.615 -20.457 -0.181 1.00 1.76 C ATOM 0 H ALA A 64 2.708 -19.788 -0.993 1.00 1.55 H new ATOM 0 HA ALA A 64 3.688 -21.148 0.445 1.00 1.66 H new ATOM 0 HB1 ALA A 64 6.167 -21.115 0.490 1.00 1.76 H new ATOM 0 HB2 ALA A 64 5.527 -20.928 -1.160 1.00 1.76 H new ATOM 0 HB3 ALA A 64 6.147 -19.511 -0.280 1.00 1.76 H new ATOM 882 N GLN A 65 3.231 -19.006 2.249 1.00 1.68 N ATOM 883 CA GLN A 65 3.096 -18.482 3.619 1.00 1.79 C ATOM 884 C GLN A 65 3.993 -17.264 3.867 1.00 1.70 C ATOM 885 O GLN A 65 3.578 -16.310 4.524 1.00 1.80 O ATOM 886 CB GLN A 65 3.384 -19.569 4.663 1.00 2.01 C ATOM 887 CG GLN A 65 2.643 -20.871 4.401 1.00 2.23 C ATOM 888 CD GLN A 65 1.147 -20.678 4.269 1.00 2.86 C ATOM 889 OE1 GLN A 65 0.554 -19.813 4.916 1.00 3.24 O ATOM 890 NE2 GLN A 65 0.535 -21.461 3.398 1.00 3.33 N ATOM 0 H GLN A 65 2.415 -18.826 1.664 1.00 1.68 H new ATOM 0 HA GLN A 65 2.060 -18.159 3.724 1.00 1.79 H new ATOM 0 HB2 GLN A 65 4.456 -19.767 4.684 1.00 2.01 H new ATOM 0 HB3 GLN A 65 3.110 -19.196 5.650 1.00 2.01 H new ATOM 0 HG2 GLN A 65 3.028 -21.326 3.488 1.00 2.23 H new ATOM 0 HG3 GLN A 65 2.844 -21.568 5.214 1.00 2.23 H new ATOM 0 HE21 GLN A 65 1.065 -22.164 2.884 1.00 3.33 H new ATOM 0 HE22 GLN A 65 -0.468 -21.362 3.240 1.00 3.33 H new ATOM 899 N ASP A 66 5.210 -17.291 3.331 1.00 1.62 N ATOM 900 CA ASP A 66 6.157 -16.187 3.502 1.00 1.65 C ATOM 901 C ASP A 66 5.791 -15.010 2.603 1.00 1.49 C ATOM 902 O ASP A 66 6.480 -13.990 2.569 1.00 1.59 O ATOM 903 CB ASP A 66 7.588 -16.638 3.208 1.00 1.78 C ATOM 904 CG ASP A 66 8.121 -17.630 4.221 1.00 2.25 C ATOM 905 OD1 ASP A 66 8.561 -17.198 5.305 1.00 2.32 O ATOM 906 OD2 ASP A 66 8.125 -18.844 3.928 1.00 2.86 O ATOM 0 H ASP A 66 5.567 -18.066 2.773 1.00 1.62 H new ATOM 0 HA ASP A 66 6.100 -15.866 4.542 1.00 1.65 H new ATOM 0 HB2 ASP A 66 7.624 -17.087 2.216 1.00 1.78 H new ATOM 0 HB3 ASP A 66 8.240 -15.765 3.186 1.00 1.78 H new ATOM 911 N ARG A 67 4.692 -15.189 1.868 1.00 1.32 N ATOM 912 CA ARG A 67 4.074 -14.141 1.059 1.00 1.23 C ATOM 913 C ARG A 67 4.951 -13.749 -0.133 1.00 1.18 C ATOM 914 O ARG A 67 5.361 -12.598 -0.256 1.00 1.31 O ATOM 915 CB ARG A 67 3.746 -12.894 1.903 1.00 1.40 C ATOM 916 CG ARG A 67 3.286 -13.186 3.330 1.00 1.60 C ATOM 917 CD ARG A 67 3.140 -11.910 4.146 1.00 1.84 C ATOM 918 NE ARG A 67 4.424 -11.241 4.362 1.00 2.26 N ATOM 919 CZ ARG A 67 4.582 -10.159 5.126 1.00 2.61 C ATOM 920 NH1 ARG A 67 3.544 -9.623 5.756 1.00 2.62 N ATOM 921 NH2 ARG A 67 5.783 -9.619 5.269 1.00 3.34 N ATOM 0 H ARG A 67 4.200 -16.081 1.818 1.00 1.32 H new ATOM 0 HA ARG A 67 3.142 -14.555 0.675 1.00 1.23 H new ATOM 0 HB2 ARG A 67 4.631 -12.259 1.945 1.00 1.40 H new ATOM 0 HB3 ARG A 67 2.968 -12.324 1.395 1.00 1.40 H new ATOM 0 HG2 ARG A 67 2.332 -13.713 3.304 1.00 1.60 H new ATOM 0 HG3 ARG A 67 4.003 -13.848 3.815 1.00 1.60 H new ATOM 0 HD2 ARG A 67 2.459 -11.230 3.634 1.00 1.84 H new ATOM 0 HD3 ARG A 67 2.689 -12.147 5.110 1.00 1.84 H new ATOM 0 HE ARG A 67 5.248 -11.626 3.900 1.00 2.26 H new ATOM 0 HH11 ARG A 67 2.618 -10.039 5.658 1.00 2.62 H new ATOM 0 HH12 ARG A 67 3.673 -8.796 6.338 1.00 2.62 H new ATOM 0 HH21 ARG A 67 6.587 -10.031 4.795 1.00 3.34 H new ATOM 0 HH22 ARG A 67 5.904 -8.792 5.853 1.00 3.34 H new ATOM 935 N LYS A 68 5.226 -14.702 -1.020 1.00 1.12 N ATOM 936 CA LYS A 68 5.985 -14.402 -2.238 1.00 1.16 C ATOM 937 C LYS A 68 5.075 -14.446 -3.457 1.00 0.99 C ATOM 938 O LYS A 68 5.536 -14.570 -4.590 1.00 1.10 O ATOM 939 CB LYS A 68 7.157 -15.373 -2.439 1.00 1.39 C ATOM 940 CG LYS A 68 8.253 -15.260 -1.390 1.00 1.77 C ATOM 941 CD LYS A 68 7.908 -16.027 -0.125 1.00 2.01 C ATOM 942 CE LYS A 68 7.964 -17.531 -0.345 1.00 2.02 C ATOM 943 NZ LYS A 68 9.356 -18.015 -0.537 1.00 2.24 N ATOM 0 H LYS A 68 4.941 -15.677 -0.924 1.00 1.12 H new ATOM 0 HA LYS A 68 6.393 -13.398 -2.121 1.00 1.16 H new ATOM 0 HB2 LYS A 68 6.773 -16.393 -2.437 1.00 1.39 H new ATOM 0 HB3 LYS A 68 7.593 -15.199 -3.423 1.00 1.39 H new ATOM 0 HG2 LYS A 68 9.189 -15.639 -1.801 1.00 1.77 H new ATOM 0 HG3 LYS A 68 8.414 -14.210 -1.145 1.00 1.77 H new ATOM 0 HD2 LYS A 68 8.601 -15.749 0.669 1.00 2.01 H new ATOM 0 HD3 LYS A 68 6.910 -15.745 0.210 1.00 2.01 H new ATOM 0 HE2 LYS A 68 7.518 -18.039 0.510 1.00 2.02 H new ATOM 0 HE3 LYS A 68 7.366 -17.792 -1.218 1.00 2.02 H new ATOM 0 HZ1 LYS A 68 9.376 -19.052 -0.463 1.00 2.24 H new ATOM 0 HZ2 LYS A 68 9.697 -17.728 -1.477 1.00 2.24 H new ATOM 0 HZ3 LYS A 68 9.970 -17.604 0.195 1.00 2.24 H new ATOM 957 N LYS A 69 3.779 -14.346 -3.212 1.00 0.90 N ATOM 958 CA LYS A 69 2.790 -14.384 -4.275 1.00 0.80 C ATOM 959 C LYS A 69 1.574 -13.553 -3.884 1.00 0.61 C ATOM 960 O LYS A 69 0.657 -14.056 -3.239 1.00 0.61 O ATOM 961 CB LYS A 69 2.368 -15.827 -4.546 1.00 0.99 C ATOM 962 CG LYS A 69 1.445 -15.983 -5.745 1.00 1.06 C ATOM 963 CD LYS A 69 1.054 -17.437 -5.972 1.00 1.68 C ATOM 964 CE LYS A 69 0.278 -18.010 -4.794 1.00 2.17 C ATOM 965 NZ LYS A 69 -0.997 -17.283 -4.556 1.00 2.92 N ATOM 0 H LYS A 69 3.385 -14.237 -2.277 1.00 0.90 H new ATOM 0 HA LYS A 69 3.229 -13.967 -5.181 1.00 0.80 H new ATOM 0 HB2 LYS A 69 3.260 -16.433 -4.705 1.00 0.99 H new ATOM 0 HB3 LYS A 69 1.868 -16.222 -3.661 1.00 0.99 H new ATOM 0 HG2 LYS A 69 0.547 -15.385 -5.593 1.00 1.06 H new ATOM 0 HG3 LYS A 69 1.938 -15.596 -6.636 1.00 1.06 H new ATOM 0 HD2 LYS A 69 0.449 -17.513 -6.876 1.00 1.68 H new ATOM 0 HD3 LYS A 69 1.952 -18.032 -6.138 1.00 1.68 H new ATOM 0 HE2 LYS A 69 0.065 -19.063 -4.979 1.00 2.17 H new ATOM 0 HE3 LYS A 69 0.895 -17.962 -3.897 1.00 2.17 H new ATOM 0 HZ1 LYS A 69 -0.932 -16.751 -3.665 1.00 2.92 H new ATOM 0 HZ2 LYS A 69 -1.172 -16.624 -5.341 1.00 2.92 H new ATOM 0 HZ3 LYS A 69 -1.780 -17.965 -4.496 1.00 2.92 H new ATOM 979 N PRO A 70 1.568 -12.262 -4.226 1.00 0.51 N ATOM 980 CA PRO A 70 0.428 -11.386 -3.963 1.00 0.39 C ATOM 981 C PRO A 70 -0.743 -11.675 -4.895 1.00 0.32 C ATOM 982 O PRO A 70 -0.568 -12.232 -5.981 1.00 0.40 O ATOM 983 CB PRO A 70 0.977 -9.977 -4.225 1.00 0.40 C ATOM 984 CG PRO A 70 2.454 -10.139 -4.378 1.00 0.53 C ATOM 985 CD PRO A 70 2.667 -11.539 -4.871 1.00 0.59 C ATOM 0 HA PRO A 70 0.040 -11.522 -2.953 1.00 0.39 H new ATOM 0 HB2 PRO A 70 0.536 -9.546 -5.124 1.00 0.40 H new ATOM 0 HB3 PRO A 70 0.740 -9.305 -3.400 1.00 0.40 H new ATOM 0 HG2 PRO A 70 2.855 -9.412 -5.084 1.00 0.53 H new ATOM 0 HG3 PRO A 70 2.965 -9.978 -3.429 1.00 0.53 H new ATOM 0 HD2 PRO A 70 2.613 -11.601 -5.958 1.00 0.59 H new ATOM 0 HD3 PRO A 70 3.641 -11.931 -4.577 1.00 0.59 H new ATOM 993 N SER A 71 -1.937 -11.292 -4.465 1.00 0.28 N ATOM 994 CA SER A 71 -3.131 -11.460 -5.278 1.00 0.31 C ATOM 995 C SER A 71 -3.389 -10.180 -6.061 1.00 0.28 C ATOM 996 O SER A 71 -4.383 -10.050 -6.772 1.00 0.40 O ATOM 997 CB SER A 71 -4.333 -11.799 -4.391 1.00 0.41 C ATOM 998 OG SER A 71 -5.475 -12.127 -5.164 1.00 1.02 O ATOM 0 H SER A 71 -2.104 -10.862 -3.555 1.00 0.28 H new ATOM 0 HA SER A 71 -2.982 -12.283 -5.977 1.00 0.31 H new ATOM 0 HB2 SER A 71 -4.081 -12.636 -3.740 1.00 0.41 H new ATOM 0 HB3 SER A 71 -4.561 -10.950 -3.746 1.00 0.41 H new ATOM 0 HG SER A 71 -5.491 -11.576 -5.974 1.00 1.02 H new ATOM 1004 N GLY A 72 -2.476 -9.241 -5.904 1.00 0.24 N ATOM 1005 CA GLY A 72 -2.561 -7.973 -6.579 1.00 0.23 C ATOM 1006 C GLY A 72 -1.466 -7.056 -6.101 1.00 0.22 C ATOM 1007 O GLY A 72 -0.895 -7.285 -5.031 1.00 0.26 O ATOM 0 H GLY A 72 -1.657 -9.342 -5.304 1.00 0.24 H new ATOM 0 HA2 GLY A 72 -2.479 -8.120 -7.656 1.00 0.23 H new ATOM 0 HA3 GLY A 72 -3.534 -7.518 -6.393 1.00 0.23 H new ATOM 1011 N GLY A 73 -1.164 -6.033 -6.874 1.00 0.24 N ATOM 1012 CA GLY A 73 -0.104 -5.132 -6.503 1.00 0.29 C ATOM 1013 C GLY A 73 0.339 -4.250 -7.646 1.00 0.27 C ATOM 1014 O GLY A 73 -0.022 -4.482 -8.804 1.00 0.40 O ATOM 0 H GLY A 73 -1.634 -5.810 -7.752 1.00 0.24 H new ATOM 0 HA2 GLY A 73 -0.438 -4.506 -5.675 1.00 0.29 H new ATOM 0 HA3 GLY A 73 0.748 -5.709 -6.143 1.00 0.29 H new ATOM 1018 N PHE A 74 1.131 -3.246 -7.320 1.00 0.20 N ATOM 1019 CA PHE A 74 1.631 -2.300 -8.309 1.00 0.19 C ATOM 1020 C PHE A 74 2.888 -1.617 -7.784 1.00 0.19 C ATOM 1021 O PHE A 74 3.092 -1.533 -6.575 1.00 0.19 O ATOM 1022 CB PHE A 74 0.552 -1.260 -8.675 1.00 0.18 C ATOM 1023 CG PHE A 74 0.185 -0.281 -7.582 1.00 0.17 C ATOM 1024 CD1 PHE A 74 -0.057 -0.736 -6.297 1.00 0.20 C ATOM 1025 CD2 PHE A 74 0.094 1.080 -7.827 1.00 0.17 C ATOM 1026 CE1 PHE A 74 -0.379 0.140 -5.282 1.00 0.21 C ATOM 1027 CE2 PHE A 74 -0.233 1.961 -6.813 1.00 0.18 C ATOM 1028 CZ PHE A 74 -0.509 1.546 -5.602 1.00 0.18 C ATOM 0 H PHE A 74 1.447 -3.061 -6.368 1.00 0.20 H new ATOM 0 HA PHE A 74 1.883 -2.847 -9.218 1.00 0.19 H new ATOM 0 HB2 PHE A 74 0.897 -0.696 -9.542 1.00 0.18 H new ATOM 0 HB3 PHE A 74 -0.350 -1.791 -8.979 1.00 0.18 H new ATOM 0 HD1 PHE A 74 0.007 -1.793 -6.086 1.00 0.20 H new ATOM 0 HD2 PHE A 74 0.281 1.457 -8.822 1.00 0.17 H new ATOM 0 HE1 PHE A 74 -0.531 -0.214 -4.273 1.00 0.21 H new ATOM 0 HE2 PHE A 74 -0.262 3.020 -7.025 1.00 0.18 H new ATOM 0 HZ PHE A 74 -0.831 2.248 -4.847 1.00 0.18 H new ATOM 1038 N PRO A 75 3.759 -1.139 -8.686 1.00 0.20 N ATOM 1039 CA PRO A 75 5.020 -0.500 -8.306 1.00 0.20 C ATOM 1040 C PRO A 75 4.804 0.838 -7.612 1.00 0.19 C ATOM 1041 O PRO A 75 3.973 1.646 -8.028 1.00 0.20 O ATOM 1042 CB PRO A 75 5.745 -0.282 -9.639 1.00 0.23 C ATOM 1043 CG PRO A 75 4.992 -1.078 -10.650 1.00 0.25 C ATOM 1044 CD PRO A 75 3.586 -1.175 -10.145 1.00 0.22 C ATOM 0 HA PRO A 75 5.577 -1.114 -7.599 1.00 0.20 H new ATOM 0 HB2 PRO A 75 5.761 0.774 -9.907 1.00 0.23 H new ATOM 0 HB3 PRO A 75 6.782 -0.610 -9.577 1.00 0.23 H new ATOM 0 HG2 PRO A 75 5.022 -0.595 -11.626 1.00 0.25 H new ATOM 0 HG3 PRO A 75 5.431 -2.068 -10.771 1.00 0.25 H new ATOM 0 HD2 PRO A 75 2.971 -0.348 -10.500 1.00 0.22 H new ATOM 0 HD3 PRO A 75 3.102 -2.095 -10.472 1.00 0.22 H new ATOM 1052 N VAL A 76 5.593 1.063 -6.568 1.00 0.19 N ATOM 1053 CA VAL A 76 5.514 2.277 -5.764 1.00 0.18 C ATOM 1054 C VAL A 76 5.894 3.502 -6.585 1.00 0.19 C ATOM 1055 O VAL A 76 5.306 4.571 -6.445 1.00 0.19 O ATOM 1056 CB VAL A 76 6.449 2.179 -4.541 1.00 0.21 C ATOM 1057 CG1 VAL A 76 6.492 3.494 -3.785 1.00 0.30 C ATOM 1058 CG2 VAL A 76 6.011 1.052 -3.623 1.00 0.25 C ATOM 0 H VAL A 76 6.308 0.407 -6.254 1.00 0.19 H new ATOM 0 HA VAL A 76 4.483 2.381 -5.427 1.00 0.18 H new ATOM 0 HB VAL A 76 7.455 1.961 -4.901 1.00 0.21 H new ATOM 0 HG11 VAL A 76 7.158 3.399 -2.927 1.00 0.30 H new ATOM 0 HG12 VAL A 76 6.859 4.281 -4.444 1.00 0.30 H new ATOM 0 HG13 VAL A 76 5.490 3.748 -3.440 1.00 0.30 H new ATOM 0 HG21 VAL A 76 6.683 0.999 -2.766 1.00 0.25 H new ATOM 0 HG22 VAL A 76 4.995 1.239 -3.276 1.00 0.25 H new ATOM 0 HG23 VAL A 76 6.041 0.108 -4.167 1.00 0.25 H new ATOM 1068 N ASP A 77 6.876 3.330 -7.453 1.00 0.21 N ATOM 1069 CA ASP A 77 7.353 4.417 -8.296 1.00 0.24 C ATOM 1070 C ASP A 77 6.297 4.801 -9.332 1.00 0.23 C ATOM 1071 O ASP A 77 6.275 5.927 -9.825 1.00 0.30 O ATOM 1072 CB ASP A 77 8.648 3.990 -8.987 1.00 0.31 C ATOM 1073 CG ASP A 77 9.235 5.066 -9.882 1.00 0.73 C ATOM 1074 OD1 ASP A 77 10.065 5.863 -9.401 1.00 0.77 O ATOM 1075 OD2 ASP A 77 8.845 5.137 -11.066 1.00 1.29 O ATOM 0 H ASP A 77 7.362 2.444 -7.594 1.00 0.21 H new ATOM 0 HA ASP A 77 7.546 5.291 -7.674 1.00 0.24 H new ATOM 0 HB2 ASP A 77 9.383 3.717 -8.229 1.00 0.31 H new ATOM 0 HB3 ASP A 77 8.457 3.097 -9.582 1.00 0.31 H new ATOM 1080 N LYS A 78 5.400 3.865 -9.624 1.00 0.19 N ATOM 1081 CA LYS A 78 4.392 4.057 -10.664 1.00 0.20 C ATOM 1082 C LYS A 78 3.133 4.734 -10.120 1.00 0.17 C ATOM 1083 O LYS A 78 2.238 5.100 -10.888 1.00 0.18 O ATOM 1084 CB LYS A 78 4.024 2.714 -11.305 1.00 0.22 C ATOM 1085 CG LYS A 78 4.880 2.331 -12.509 1.00 0.28 C ATOM 1086 CD LYS A 78 6.364 2.251 -12.178 1.00 0.34 C ATOM 1087 CE LYS A 78 7.191 1.915 -13.412 1.00 0.47 C ATOM 1088 NZ LYS A 78 6.825 0.593 -13.990 1.00 1.54 N ATOM 0 H LYS A 78 5.350 2.961 -9.153 1.00 0.19 H new ATOM 0 HA LYS A 78 4.826 4.713 -11.418 1.00 0.20 H new ATOM 0 HB2 LYS A 78 4.109 1.931 -10.551 1.00 0.22 H new ATOM 0 HB3 LYS A 78 2.979 2.748 -11.614 1.00 0.22 H new ATOM 0 HG2 LYS A 78 4.546 1.368 -12.894 1.00 0.28 H new ATOM 0 HG3 LYS A 78 4.729 3.062 -13.303 1.00 0.28 H new ATOM 0 HD2 LYS A 78 6.697 3.202 -11.762 1.00 0.34 H new ATOM 0 HD3 LYS A 78 6.527 1.493 -11.411 1.00 0.34 H new ATOM 0 HE2 LYS A 78 7.049 2.691 -14.165 1.00 0.47 H new ATOM 0 HE3 LYS A 78 8.249 1.915 -13.150 1.00 0.47 H new ATOM 0 HZ1 LYS A 78 7.468 0.367 -14.775 1.00 1.54 H new ATOM 0 HZ2 LYS A 78 6.903 -0.140 -13.257 1.00 1.54 H new ATOM 0 HZ3 LYS A 78 5.847 0.627 -14.343 1.00 1.54 H new ATOM 1102 N ILE A 79 3.052 4.888 -8.802 1.00 0.18 N ATOM 1103 CA ILE A 79 1.920 5.571 -8.184 1.00 0.16 C ATOM 1104 C ILE A 79 1.884 7.025 -8.637 1.00 0.18 C ATOM 1105 O ILE A 79 2.856 7.764 -8.457 1.00 0.26 O ATOM 1106 CB ILE A 79 1.988 5.536 -6.644 1.00 0.17 C ATOM 1107 CG1 ILE A 79 2.253 4.116 -6.141 1.00 0.18 C ATOM 1108 CG2 ILE A 79 0.692 6.076 -6.055 1.00 0.18 C ATOM 1109 CD1 ILE A 79 2.330 4.018 -4.632 1.00 0.19 C ATOM 0 H ILE A 79 3.754 4.551 -8.143 1.00 0.18 H new ATOM 0 HA ILE A 79 1.018 5.046 -8.499 1.00 0.16 H new ATOM 0 HB ILE A 79 2.815 6.167 -6.320 1.00 0.17 H new ATOM 0 HG12 ILE A 79 1.462 3.457 -6.501 1.00 0.18 H new ATOM 0 HG13 ILE A 79 3.188 3.755 -6.569 1.00 0.18 H new ATOM 0 HG21 ILE A 79 0.748 6.048 -4.967 1.00 0.18 H new ATOM 0 HG22 ILE A 79 0.543 7.104 -6.385 1.00 0.18 H new ATOM 0 HG23 ILE A 79 -0.144 5.463 -6.391 1.00 0.18 H new ATOM 0 HD11 ILE A 79 2.520 2.984 -4.344 1.00 0.19 H new ATOM 0 HD12 ILE A 79 3.139 4.651 -4.267 1.00 0.19 H new ATOM 0 HD13 ILE A 79 1.387 4.348 -4.197 1.00 0.19 H new ATOM 1121 N THR A 80 0.772 7.439 -9.224 1.00 0.15 N ATOM 1122 CA THR A 80 0.679 8.779 -9.767 1.00 0.18 C ATOM 1123 C THR A 80 0.218 9.770 -8.698 1.00 0.21 C ATOM 1124 O THR A 80 0.644 10.925 -8.691 1.00 0.28 O ATOM 1125 CB THR A 80 -0.252 8.844 -11.002 1.00 0.20 C ATOM 1126 OG1 THR A 80 -0.173 10.135 -11.619 1.00 0.27 O ATOM 1127 CG2 THR A 80 -1.697 8.551 -10.638 1.00 0.18 C ATOM 0 H THR A 80 -0.068 6.872 -9.335 1.00 0.15 H new ATOM 0 HA THR A 80 1.680 9.059 -10.096 1.00 0.18 H new ATOM 0 HB THR A 80 0.087 8.078 -11.700 1.00 0.20 H new ATOM 0 HG1 THR A 80 -0.765 10.161 -12.399 1.00 0.27 H new ATOM 0 HG21 THR A 80 -2.316 8.607 -11.533 1.00 0.18 H new ATOM 0 HG22 THR A 80 -1.769 7.551 -10.209 1.00 0.18 H new ATOM 0 HG23 THR A 80 -2.045 9.284 -9.910 1.00 0.18 H new ATOM 1135 N SER A 81 -0.644 9.316 -7.784 1.00 0.18 N ATOM 1136 CA SER A 81 -1.184 10.190 -6.747 1.00 0.21 C ATOM 1137 C SER A 81 -1.706 9.391 -5.552 1.00 0.17 C ATOM 1138 O SER A 81 -2.395 8.383 -5.719 1.00 0.19 O ATOM 1139 CB SER A 81 -2.325 11.043 -7.315 1.00 0.30 C ATOM 1140 OG SER A 81 -1.911 11.776 -8.457 1.00 0.88 O ATOM 0 H SER A 81 -0.979 8.354 -7.743 1.00 0.18 H new ATOM 0 HA SER A 81 -0.371 10.832 -6.407 1.00 0.21 H new ATOM 0 HB2 SER A 81 -3.164 10.400 -7.580 1.00 0.30 H new ATOM 0 HB3 SER A 81 -2.681 11.732 -6.549 1.00 0.30 H new ATOM 0 HG SER A 81 -2.662 12.307 -8.795 1.00 0.88 H new ATOM 1146 N VAL A 82 -1.370 9.855 -4.357 1.00 0.20 N ATOM 1147 CA VAL A 82 -1.930 9.326 -3.123 1.00 0.21 C ATOM 1148 C VAL A 82 -2.671 10.446 -2.422 1.00 0.21 C ATOM 1149 O VAL A 82 -2.066 11.388 -1.905 1.00 0.24 O ATOM 1150 CB VAL A 82 -0.856 8.737 -2.179 1.00 0.27 C ATOM 1151 CG1 VAL A 82 -1.456 8.362 -0.829 1.00 1.36 C ATOM 1152 CG2 VAL A 82 -0.203 7.525 -2.816 1.00 1.01 C ATOM 0 H VAL A 82 -0.700 10.611 -4.216 1.00 0.20 H new ATOM 0 HA VAL A 82 -2.601 8.506 -3.379 1.00 0.21 H new ATOM 0 HB VAL A 82 -0.098 9.502 -2.012 1.00 0.27 H new ATOM 0 HG11 VAL A 82 -0.677 7.951 -0.186 1.00 1.36 H new ATOM 0 HG12 VAL A 82 -1.882 9.250 -0.361 1.00 1.36 H new ATOM 0 HG13 VAL A 82 -2.239 7.617 -0.973 1.00 1.36 H new ATOM 0 HG21 VAL A 82 0.551 7.121 -2.140 1.00 1.01 H new ATOM 0 HG22 VAL A 82 -0.959 6.765 -3.012 1.00 1.01 H new ATOM 0 HG23 VAL A 82 0.269 7.817 -3.754 1.00 1.01 H new ATOM 1162 N LYS A 83 -3.980 10.358 -2.451 1.00 0.21 N ATOM 1163 CA LYS A 83 -4.835 11.412 -1.964 1.00 0.23 C ATOM 1164 C LYS A 83 -5.918 10.860 -1.052 1.00 0.22 C ATOM 1165 O LYS A 83 -6.107 9.648 -0.938 1.00 0.21 O ATOM 1166 CB LYS A 83 -5.453 12.125 -3.159 1.00 0.30 C ATOM 1167 CG LYS A 83 -5.951 11.156 -4.218 1.00 0.80 C ATOM 1168 CD LYS A 83 -5.903 11.740 -5.600 1.00 0.55 C ATOM 1169 CE LYS A 83 -6.747 10.934 -6.573 1.00 1.14 C ATOM 1170 NZ LYS A 83 -6.799 11.563 -7.922 1.00 1.70 N ATOM 0 H LYS A 83 -4.483 9.549 -2.815 1.00 0.21 H new ATOM 0 HA LYS A 83 -4.244 12.115 -1.377 1.00 0.23 H new ATOM 0 HB2 LYS A 83 -6.282 12.745 -2.819 1.00 0.30 H new ATOM 0 HB3 LYS A 83 -4.715 12.794 -3.601 1.00 0.30 H new ATOM 0 HG2 LYS A 83 -5.347 10.249 -4.189 1.00 0.80 H new ATOM 0 HG3 LYS A 83 -6.975 10.864 -3.986 1.00 0.80 H new ATOM 0 HD2 LYS A 83 -6.259 12.770 -5.574 1.00 0.55 H new ATOM 0 HD3 LYS A 83 -4.871 11.769 -5.949 1.00 0.55 H new ATOM 0 HE2 LYS A 83 -6.339 9.927 -6.658 1.00 1.14 H new ATOM 0 HE3 LYS A 83 -7.759 10.836 -6.180 1.00 1.14 H new ATOM 0 HZ1 LYS A 83 -7.385 10.981 -8.554 1.00 1.70 H new ATOM 0 HZ2 LYS A 83 -7.212 12.514 -7.846 1.00 1.70 H new ATOM 0 HZ3 LYS A 83 -5.836 11.634 -8.309 1.00 1.70 H new ATOM 1184 N SER A 84 -6.595 11.749 -0.372 1.00 0.26 N ATOM 1185 CA SER A 84 -7.714 11.368 0.454 1.00 0.26 C ATOM 1186 C SER A 84 -8.958 12.133 0.010 1.00 0.29 C ATOM 1187 O SER A 84 -8.848 13.200 -0.598 1.00 0.32 O ATOM 1188 CB SER A 84 -7.386 11.598 1.931 1.00 0.30 C ATOM 1189 OG SER A 84 -6.988 12.938 2.167 1.00 0.72 O ATOM 0 H SER A 84 -6.390 12.748 -0.374 1.00 0.26 H new ATOM 0 HA SER A 84 -7.918 10.304 0.336 1.00 0.26 H new ATOM 0 HB2 SER A 84 -8.258 11.363 2.541 1.00 0.30 H new ATOM 0 HB3 SER A 84 -6.590 10.920 2.239 1.00 0.30 H new ATOM 0 HG SER A 84 -6.786 13.057 3.119 1.00 0.72 H new ATOM 1195 N GLN A 85 -10.127 11.560 0.269 1.00 0.30 N ATOM 1196 CA GLN A 85 -11.406 12.113 -0.194 1.00 0.37 C ATOM 1197 C GLN A 85 -11.679 13.523 0.346 1.00 0.44 C ATOM 1198 O GLN A 85 -10.839 14.114 1.021 1.00 0.47 O ATOM 1199 CB GLN A 85 -12.534 11.171 0.214 1.00 0.37 C ATOM 1200 CG GLN A 85 -13.171 10.430 -0.947 1.00 0.41 C ATOM 1201 CD GLN A 85 -12.221 9.469 -1.633 1.00 0.39 C ATOM 1202 OE1 GLN A 85 -11.324 8.866 -0.870 1.00 0.46 O flip ATOM 1203 NE2 GLN A 85 -12.309 9.249 -2.837 1.00 0.34 N flip ATOM 0 H GLN A 85 -10.221 10.698 0.806 1.00 0.30 H new ATOM 0 HA GLN A 85 -11.352 12.200 -1.279 1.00 0.37 H new ATOM 0 HB2 GLN A 85 -12.146 10.443 0.927 1.00 0.37 H new ATOM 0 HB3 GLN A 85 -13.303 11.745 0.731 1.00 0.37 H new ATOM 0 HG2 GLN A 85 -14.038 9.878 -0.585 1.00 0.41 H new ATOM 0 HG3 GLN A 85 -13.535 11.154 -1.676 1.00 0.41 H new ATOM 0 HE21 GLN A 85 -13.013 9.733 -3.394 1.00 0.34 H new ATOM 0 HE22 GLN A 85 -11.678 8.582 -3.281 1.00 0.34 H new ATOM 1212 N ALA A 86 -12.856 14.063 0.039 1.00 0.52 N ATOM 1213 CA ALA A 86 -13.205 15.414 0.464 1.00 0.61 C ATOM 1214 C ALA A 86 -13.242 15.518 1.984 1.00 0.67 C ATOM 1215 O ALA A 86 -12.675 16.444 2.566 1.00 0.72 O ATOM 1216 CB ALA A 86 -14.543 15.830 -0.128 1.00 0.71 C ATOM 0 H ALA A 86 -13.580 13.588 -0.500 1.00 0.52 H new ATOM 0 HA ALA A 86 -12.434 16.092 0.097 1.00 0.61 H new ATOM 0 HB1 ALA A 86 -14.787 16.840 0.200 1.00 0.71 H new ATOM 0 HB2 ALA A 86 -14.483 15.806 -1.216 1.00 0.71 H new ATOM 0 HB3 ALA A 86 -15.319 15.142 0.208 1.00 0.71 H new ATOM 1222 N ASP A 87 -13.879 14.549 2.625 1.00 0.71 N ATOM 1223 CA ASP A 87 -13.898 14.494 4.084 1.00 0.80 C ATOM 1224 C ASP A 87 -13.120 13.278 4.545 1.00 0.65 C ATOM 1225 O ASP A 87 -12.574 13.254 5.648 1.00 0.69 O ATOM 1226 CB ASP A 87 -15.336 14.416 4.608 1.00 0.98 C ATOM 1227 CG ASP A 87 -15.414 14.458 6.124 1.00 1.32 C ATOM 1228 OD1 ASP A 87 -15.632 15.552 6.693 1.00 1.59 O ATOM 1229 OD2 ASP A 87 -15.243 13.396 6.759 1.00 1.50 O ATOM 0 H ASP A 87 -14.387 13.794 2.164 1.00 0.71 H new ATOM 0 HA ASP A 87 -13.440 15.402 4.477 1.00 0.80 H new ATOM 0 HB2 ASP A 87 -15.913 15.244 4.196 1.00 0.98 H new ATOM 0 HB3 ASP A 87 -15.799 13.496 4.250 1.00 0.98 H new ATOM 1234 N ASN A 88 -13.047 12.294 3.644 1.00 0.50 N ATOM 1235 CA ASN A 88 -12.256 11.074 3.822 1.00 0.37 C ATOM 1236 C ASN A 88 -12.264 10.558 5.256 1.00 0.39 C ATOM 1237 O ASN A 88 -11.209 10.288 5.830 1.00 0.44 O ATOM 1238 CB ASN A 88 -10.814 11.278 3.326 1.00 0.36 C ATOM 1239 CG ASN A 88 -10.054 12.392 4.039 1.00 0.49 C ATOM 1240 OD1 ASN A 88 -9.282 12.044 5.051 1.00 1.10 O flip ATOM 1241 ND2 ASN A 88 -10.143 13.555 3.660 1.00 1.14 N flip ATOM 0 H ASN A 88 -13.545 12.324 2.754 1.00 0.50 H new ATOM 0 HA ASN A 88 -12.736 10.307 3.214 1.00 0.37 H new ATOM 0 HB2 ASN A 88 -10.265 10.344 3.448 1.00 0.36 H new ATOM 0 HB3 ASN A 88 -10.837 11.496 2.258 1.00 0.36 H new ATOM 0 HD21 ASN A 88 -10.749 13.790 2.874 1.00 1.14 H new ATOM 0 HD22 ASN A 88 -9.611 14.287 4.131 1.00 1.14 H new ATOM 1248 N THR A 89 -13.457 10.402 5.823 1.00 0.43 N ATOM 1249 CA THR A 89 -13.588 9.851 7.160 1.00 0.48 C ATOM 1250 C THR A 89 -12.835 8.530 7.244 1.00 0.43 C ATOM 1251 O THR A 89 -11.849 8.408 7.972 1.00 0.48 O ATOM 1252 CB THR A 89 -15.062 9.612 7.545 1.00 0.58 C ATOM 1253 OG1 THR A 89 -15.814 10.832 7.453 1.00 0.68 O ATOM 1254 CG2 THR A 89 -15.162 9.052 8.959 1.00 0.67 C ATOM 0 H THR A 89 -14.340 10.649 5.377 1.00 0.43 H new ATOM 0 HA THR A 89 -13.169 10.577 7.856 1.00 0.48 H new ATOM 0 HB THR A 89 -15.479 8.887 6.846 1.00 0.58 H new ATOM 0 HG1 THR A 89 -15.225 11.558 7.159 1.00 0.68 H new ATOM 0 HG21 THR A 89 -16.210 8.890 9.213 1.00 0.67 H new ATOM 0 HG22 THR A 89 -14.625 8.105 9.014 1.00 0.67 H new ATOM 0 HG23 THR A 89 -14.724 9.760 9.662 1.00 0.67 H new ATOM 1262 N LYS A 90 -13.326 7.535 6.517 1.00 0.38 N ATOM 1263 CA LYS A 90 -12.632 6.266 6.406 1.00 0.35 C ATOM 1264 C LYS A 90 -12.153 5.986 4.979 1.00 0.29 C ATOM 1265 O LYS A 90 -11.534 4.957 4.726 1.00 0.32 O ATOM 1266 CB LYS A 90 -13.508 5.131 6.919 1.00 0.44 C ATOM 1267 CG LYS A 90 -14.905 5.103 6.327 1.00 0.68 C ATOM 1268 CD LYS A 90 -15.732 3.985 6.938 1.00 0.78 C ATOM 1269 CE LYS A 90 -15.733 4.068 8.456 1.00 1.07 C ATOM 1270 NZ LYS A 90 -16.688 3.111 9.070 1.00 1.47 N ATOM 0 H LYS A 90 -14.202 7.585 5.997 1.00 0.38 H new ATOM 0 HA LYS A 90 -11.741 6.330 7.030 1.00 0.35 H new ATOM 0 HB2 LYS A 90 -13.016 4.182 6.704 1.00 0.44 H new ATOM 0 HB3 LYS A 90 -13.587 5.210 8.003 1.00 0.44 H new ATOM 0 HG2 LYS A 90 -15.397 6.060 6.500 1.00 0.68 H new ATOM 0 HG3 LYS A 90 -14.844 4.967 5.247 1.00 0.68 H new ATOM 0 HD2 LYS A 90 -16.755 4.042 6.567 1.00 0.78 H new ATOM 0 HD3 LYS A 90 -15.333 3.021 6.624 1.00 0.78 H new ATOM 0 HE2 LYS A 90 -14.729 3.867 8.830 1.00 1.07 H new ATOM 0 HE3 LYS A 90 -15.990 5.082 8.762 1.00 1.07 H new ATOM 0 HZ1 LYS A 90 -16.654 3.203 10.105 1.00 1.47 H new ATOM 0 HZ2 LYS A 90 -17.651 3.318 8.735 1.00 1.47 H new ATOM 0 HZ3 LYS A 90 -16.429 2.141 8.800 1.00 1.47 H new ATOM 1284 N VAL A 91 -12.395 6.914 4.064 1.00 0.27 N ATOM 1285 CA VAL A 91 -12.160 6.650 2.645 1.00 0.25 C ATOM 1286 C VAL A 91 -10.830 7.225 2.144 1.00 0.22 C ATOM 1287 O VAL A 91 -10.574 8.423 2.261 1.00 0.31 O ATOM 1288 CB VAL A 91 -13.294 7.232 1.785 1.00 0.29 C ATOM 1289 CG1 VAL A 91 -13.197 6.720 0.359 1.00 0.35 C ATOM 1290 CG2 VAL A 91 -14.652 6.894 2.379 1.00 0.39 C ATOM 0 H VAL A 91 -12.750 7.847 4.272 1.00 0.27 H new ATOM 0 HA VAL A 91 -12.124 5.565 2.547 1.00 0.25 H new ATOM 0 HB VAL A 91 -13.188 8.317 1.773 1.00 0.29 H new ATOM 0 HG11 VAL A 91 -14.007 7.142 -0.235 1.00 0.35 H new ATOM 0 HG12 VAL A 91 -12.240 7.017 -0.070 1.00 0.35 H new ATOM 0 HG13 VAL A 91 -13.274 5.633 0.357 1.00 0.35 H new ATOM 0 HG21 VAL A 91 -15.438 7.316 1.753 1.00 0.39 H new ATOM 0 HG22 VAL A 91 -14.769 5.811 2.427 1.00 0.39 H new ATOM 0 HG23 VAL A 91 -14.724 7.312 3.383 1.00 0.39 H new ATOM 1300 N LEU A 92 -9.999 6.357 1.576 1.00 0.20 N ATOM 1301 CA LEU A 92 -8.757 6.763 0.915 1.00 0.17 C ATOM 1302 C LEU A 92 -8.912 6.657 -0.597 1.00 0.17 C ATOM 1303 O LEU A 92 -9.712 5.866 -1.075 1.00 0.19 O ATOM 1304 CB LEU A 92 -7.582 5.887 1.355 1.00 0.17 C ATOM 1305 CG LEU A 92 -6.808 6.364 2.585 1.00 0.18 C ATOM 1306 CD1 LEU A 92 -7.737 6.616 3.756 1.00 0.22 C ATOM 1307 CD2 LEU A 92 -5.745 5.341 2.957 1.00 0.19 C ATOM 0 H LEU A 92 -10.165 5.351 1.559 1.00 0.20 H new ATOM 0 HA LEU A 92 -8.553 7.795 1.200 1.00 0.17 H new ATOM 0 HB2 LEU A 92 -7.958 4.884 1.555 1.00 0.17 H new ATOM 0 HB3 LEU A 92 -6.884 5.805 0.521 1.00 0.17 H new ATOM 0 HG LEU A 92 -6.323 7.309 2.339 1.00 0.18 H new ATOM 0 HD11 LEU A 92 -7.157 6.954 4.615 1.00 0.22 H new ATOM 0 HD12 LEU A 92 -8.464 7.382 3.485 1.00 0.22 H new ATOM 0 HD13 LEU A 92 -8.259 5.694 4.011 1.00 0.22 H new ATOM 0 HD21 LEU A 92 -5.198 5.687 3.834 1.00 0.19 H new ATOM 0 HD22 LEU A 92 -6.221 4.386 3.180 1.00 0.19 H new ATOM 0 HD23 LEU A 92 -5.053 5.216 2.124 1.00 0.19 H new ATOM 1319 N VAL A 93 -8.179 7.473 -1.340 1.00 0.17 N ATOM 1320 CA VAL A 93 -8.211 7.416 -2.794 1.00 0.18 C ATOM 1321 C VAL A 93 -6.788 7.463 -3.371 1.00 0.17 C ATOM 1322 O VAL A 93 -6.085 8.456 -3.263 1.00 0.19 O ATOM 1323 CB VAL A 93 -9.095 8.545 -3.378 1.00 0.20 C ATOM 1324 CG1 VAL A 93 -8.826 9.867 -2.686 1.00 0.20 C ATOM 1325 CG2 VAL A 93 -8.907 8.674 -4.881 1.00 0.24 C ATOM 0 H VAL A 93 -7.554 8.183 -0.959 1.00 0.17 H new ATOM 0 HA VAL A 93 -8.659 6.467 -3.087 1.00 0.18 H new ATOM 0 HB VAL A 93 -10.134 8.274 -3.193 1.00 0.20 H new ATOM 0 HG11 VAL A 93 -9.462 10.640 -3.118 1.00 0.20 H new ATOM 0 HG12 VAL A 93 -9.043 9.772 -1.622 1.00 0.20 H new ATOM 0 HG13 VAL A 93 -7.780 10.141 -2.820 1.00 0.20 H new ATOM 0 HG21 VAL A 93 -9.542 9.475 -5.260 1.00 0.24 H new ATOM 0 HG22 VAL A 93 -7.864 8.904 -5.099 1.00 0.24 H new ATOM 0 HG23 VAL A 93 -9.180 7.736 -5.364 1.00 0.24 H new ATOM 1335 N ILE A 94 -6.362 6.361 -3.957 1.00 0.16 N ATOM 1336 CA ILE A 94 -5.010 6.236 -4.489 1.00 0.15 C ATOM 1337 C ILE A 94 -5.069 5.881 -5.967 1.00 0.15 C ATOM 1338 O ILE A 94 -5.793 4.974 -6.363 1.00 0.17 O ATOM 1339 CB ILE A 94 -4.182 5.158 -3.730 1.00 0.16 C ATOM 1340 CG1 ILE A 94 -3.638 5.698 -2.399 1.00 0.17 C ATOM 1341 CG2 ILE A 94 -3.032 4.642 -4.586 1.00 0.16 C ATOM 1342 CD1 ILE A 94 -4.692 5.947 -1.342 1.00 0.18 C ATOM 0 H ILE A 94 -6.937 5.528 -4.080 1.00 0.16 H new ATOM 0 HA ILE A 94 -4.514 7.197 -4.353 1.00 0.15 H new ATOM 0 HB ILE A 94 -4.859 4.331 -3.516 1.00 0.16 H new ATOM 0 HG12 ILE A 94 -2.908 4.990 -2.006 1.00 0.17 H new ATOM 0 HG13 ILE A 94 -3.107 6.630 -2.590 1.00 0.17 H new ATOM 0 HG21 ILE A 94 -2.472 3.891 -4.029 1.00 0.16 H new ATOM 0 HG22 ILE A 94 -3.429 4.196 -5.498 1.00 0.16 H new ATOM 0 HG23 ILE A 94 -2.371 5.469 -4.844 1.00 0.16 H new ATOM 0 HD11 ILE A 94 -4.217 6.327 -0.437 1.00 0.18 H new ATOM 0 HD12 ILE A 94 -5.410 6.680 -1.710 1.00 0.18 H new ATOM 0 HD13 ILE A 94 -5.209 5.014 -1.116 1.00 0.18 H new ATOM 1354 N THR A 95 -4.309 6.591 -6.779 1.00 0.14 N ATOM 1355 CA THR A 95 -4.316 6.361 -8.210 1.00 0.13 C ATOM 1356 C THR A 95 -2.904 6.055 -8.710 1.00 0.11 C ATOM 1357 O THR A 95 -1.923 6.629 -8.232 1.00 0.12 O ATOM 1358 CB THR A 95 -4.877 7.586 -8.957 1.00 0.16 C ATOM 1359 OG1 THR A 95 -6.111 8.003 -8.354 1.00 0.20 O ATOM 1360 CG2 THR A 95 -5.117 7.267 -10.425 1.00 0.16 C ATOM 0 H THR A 95 -3.679 7.332 -6.471 1.00 0.14 H new ATOM 0 HA THR A 95 -4.958 5.503 -8.410 1.00 0.13 H new ATOM 0 HB THR A 95 -4.143 8.389 -8.890 1.00 0.16 H new ATOM 0 HG1 THR A 95 -6.462 8.783 -8.832 1.00 0.20 H new ATOM 0 HG21 THR A 95 -5.513 8.149 -10.929 1.00 0.16 H new ATOM 0 HG22 THR A 95 -4.177 6.974 -10.892 1.00 0.16 H new ATOM 0 HG23 THR A 95 -5.833 6.450 -10.507 1.00 0.16 H new ATOM 1368 N VAL A 96 -2.809 5.147 -9.666 1.00 0.11 N ATOM 1369 CA VAL A 96 -1.538 4.780 -10.264 1.00 0.10 C ATOM 1370 C VAL A 96 -1.548 5.094 -11.761 1.00 0.11 C ATOM 1371 O VAL A 96 -2.588 4.977 -12.412 1.00 0.14 O ATOM 1372 CB VAL A 96 -1.238 3.285 -10.027 1.00 0.12 C ATOM 1373 CG1 VAL A 96 -2.452 2.431 -10.342 1.00 0.14 C ATOM 1374 CG2 VAL A 96 -0.052 2.835 -10.850 1.00 0.14 C ATOM 0 H VAL A 96 -3.610 4.644 -10.049 1.00 0.11 H new ATOM 0 HA VAL A 96 -0.750 5.365 -9.790 1.00 0.10 H new ATOM 0 HB VAL A 96 -0.993 3.159 -8.972 1.00 0.12 H new ATOM 0 HG11 VAL A 96 -2.214 1.382 -10.167 1.00 0.14 H new ATOM 0 HG12 VAL A 96 -3.282 2.727 -9.700 1.00 0.14 H new ATOM 0 HG13 VAL A 96 -2.734 2.570 -11.386 1.00 0.14 H new ATOM 0 HG21 VAL A 96 0.139 1.778 -10.665 1.00 0.14 H new ATOM 0 HG22 VAL A 96 -0.265 2.986 -11.908 1.00 0.14 H new ATOM 0 HG23 VAL A 96 0.826 3.417 -10.571 1.00 0.14 H new ATOM 1384 N ASN A 97 -0.406 5.514 -12.307 1.00 0.14 N ATOM 1385 CA ASN A 97 -0.340 5.834 -13.727 1.00 0.23 C ATOM 1386 C ASN A 97 0.862 5.178 -14.394 1.00 0.34 C ATOM 1387 O ASN A 97 1.977 5.699 -14.344 1.00 0.81 O ATOM 1388 CB ASN A 97 -0.289 7.342 -13.958 1.00 0.44 C ATOM 1389 CG ASN A 97 -0.562 7.723 -15.406 1.00 1.14 C ATOM 1390 OD1 ASN A 97 -0.306 6.950 -16.330 1.00 1.45 O ATOM 1391 ND2 ASN A 97 -1.083 8.920 -15.616 1.00 1.87 N ATOM 0 H ASN A 97 0.468 5.638 -11.796 1.00 0.14 H new ATOM 0 HA ASN A 97 -1.250 5.439 -14.178 1.00 0.23 H new ATOM 0 HB2 ASN A 97 -1.021 7.829 -13.314 1.00 0.44 H new ATOM 0 HB3 ASN A 97 0.692 7.717 -13.666 1.00 0.44 H new ATOM 0 HD21 ASN A 97 -1.285 9.228 -16.567 1.00 1.87 H new ATOM 0 HD22 ASN A 97 -1.283 9.535 -14.827 1.00 1.87 H new ATOM 1398 N ASN A 98 0.588 4.031 -15.005 1.00 0.42 N ATOM 1399 CA ASN A 98 1.521 3.285 -15.865 1.00 0.43 C ATOM 1400 C ASN A 98 0.998 1.851 -16.022 1.00 0.38 C ATOM 1401 O ASN A 98 0.813 1.382 -17.146 1.00 0.43 O ATOM 1402 CB ASN A 98 2.974 3.306 -15.358 1.00 0.51 C ATOM 1403 CG ASN A 98 3.917 2.540 -16.265 1.00 0.58 C ATOM 1404 OD1 ASN A 98 4.484 3.097 -17.199 1.00 0.75 O ATOM 1405 ND2 ASN A 98 4.099 1.260 -15.992 1.00 0.57 N ATOM 0 H ASN A 98 -0.319 3.573 -14.917 1.00 0.42 H new ATOM 0 HA ASN A 98 1.558 3.780 -16.835 1.00 0.43 H new ATOM 0 HB2 ASN A 98 3.312 4.339 -15.277 1.00 0.51 H new ATOM 0 HB3 ASN A 98 3.012 2.879 -14.356 1.00 0.51 H new ATOM 0 HD21 ASN A 98 4.729 0.700 -16.567 1.00 0.57 H new ATOM 0 HD22 ASN A 98 3.610 0.832 -15.206 1.00 0.57 H new ATOM 1412 N PRO A 99 0.754 1.115 -14.906 1.00 0.35 N ATOM 1413 CA PRO A 99 -0.140 -0.046 -14.924 1.00 0.34 C ATOM 1414 C PRO A 99 -1.535 0.368 -15.375 1.00 0.30 C ATOM 1415 O PRO A 99 -1.824 1.563 -15.492 1.00 0.29 O ATOM 1416 CB PRO A 99 -0.179 -0.516 -13.469 1.00 0.36 C ATOM 1417 CG PRO A 99 1.071 0.004 -12.867 1.00 0.40 C ATOM 1418 CD PRO A 99 1.362 1.298 -13.571 1.00 0.38 C ATOM 0 HA PRO A 99 0.200 -0.823 -15.609 1.00 0.34 H new ATOM 0 HB2 PRO A 99 -1.057 -0.129 -12.952 1.00 0.36 H new ATOM 0 HB3 PRO A 99 -0.225 -1.603 -13.406 1.00 0.36 H new ATOM 0 HG2 PRO A 99 0.952 0.161 -11.795 1.00 0.40 H new ATOM 0 HG3 PRO A 99 1.890 -0.703 -12.996 1.00 0.40 H new ATOM 0 HD2 PRO A 99 0.925 2.147 -13.045 1.00 0.38 H new ATOM 0 HD3 PRO A 99 2.434 1.484 -13.641 1.00 0.38 H new ATOM 1426 N GLN A 100 -2.399 -0.607 -15.615 1.00 0.34 N ATOM 1427 CA GLN A 100 -3.748 -0.320 -16.089 1.00 0.36 C ATOM 1428 C GLN A 100 -4.491 0.524 -15.059 1.00 0.32 C ATOM 1429 O GLN A 100 -4.717 0.079 -13.931 1.00 0.31 O ATOM 1430 CB GLN A 100 -4.508 -1.619 -16.360 1.00 0.46 C ATOM 1431 CG GLN A 100 -3.881 -2.465 -17.455 1.00 1.17 C ATOM 1432 CD GLN A 100 -4.636 -3.752 -17.716 1.00 1.25 C ATOM 1433 OE1 GLN A 100 -5.944 -3.724 -17.531 1.00 1.54 O flip ATOM 1434 NE2 GLN A 100 -4.048 -4.764 -18.099 1.00 1.87 N flip ATOM 0 H GLN A 100 -2.194 -1.598 -15.491 1.00 0.34 H new ATOM 0 HA GLN A 100 -3.681 0.239 -17.022 1.00 0.36 H new ATOM 0 HB2 GLN A 100 -4.554 -2.203 -15.441 1.00 0.46 H new ATOM 0 HB3 GLN A 100 -5.534 -1.380 -16.638 1.00 0.46 H new ATOM 0 HG2 GLN A 100 -3.837 -1.883 -18.376 1.00 1.17 H new ATOM 0 HG3 GLN A 100 -2.854 -2.703 -17.179 1.00 1.17 H new ATOM 0 HE21 GLN A 100 -3.037 -4.747 -18.231 1.00 1.87 H new ATOM 0 HE22 GLN A 100 -4.572 -5.619 -18.285 1.00 1.87 H new ATOM 1443 N PRO A 101 -4.853 1.764 -15.451 1.00 0.36 N ATOM 1444 CA PRO A 101 -5.434 2.774 -14.559 1.00 0.35 C ATOM 1445 C PRO A 101 -6.461 2.221 -13.584 1.00 0.32 C ATOM 1446 O PRO A 101 -7.506 1.703 -13.980 1.00 0.39 O ATOM 1447 CB PRO A 101 -6.095 3.745 -15.531 1.00 0.45 C ATOM 1448 CG PRO A 101 -5.234 3.694 -16.742 1.00 0.57 C ATOM 1449 CD PRO A 101 -4.719 2.280 -16.830 1.00 0.46 C ATOM 0 HA PRO A 101 -4.674 3.217 -13.915 1.00 0.35 H new ATOM 0 HB2 PRO A 101 -7.119 3.446 -15.758 1.00 0.45 H new ATOM 0 HB3 PRO A 101 -6.141 4.752 -15.118 1.00 0.45 H new ATOM 0 HG2 PRO A 101 -5.801 3.958 -17.635 1.00 0.57 H new ATOM 0 HG3 PRO A 101 -4.411 4.404 -16.665 1.00 0.57 H new ATOM 0 HD2 PRO A 101 -5.300 1.687 -17.536 1.00 0.46 H new ATOM 0 HD3 PRO A 101 -3.683 2.253 -17.167 1.00 0.46 H new ATOM 1457 N THR A 102 -6.139 2.316 -12.306 1.00 0.26 N ATOM 1458 CA THR A 102 -7.039 1.897 -11.253 1.00 0.25 C ATOM 1459 C THR A 102 -6.866 2.806 -10.041 1.00 0.21 C ATOM 1460 O THR A 102 -5.741 3.138 -9.662 1.00 0.22 O ATOM 1461 CB THR A 102 -6.784 0.431 -10.841 1.00 0.27 C ATOM 1462 OG1 THR A 102 -6.699 -0.402 -12.009 1.00 0.33 O ATOM 1463 CG2 THR A 102 -7.900 -0.075 -9.937 1.00 0.30 C ATOM 0 H THR A 102 -5.248 2.685 -11.972 1.00 0.26 H new ATOM 0 HA THR A 102 -8.059 1.969 -11.631 1.00 0.25 H new ATOM 0 HB THR A 102 -5.841 0.389 -10.295 1.00 0.27 H new ATOM 0 HG1 THR A 102 -5.885 -0.183 -12.509 1.00 0.33 H new ATOM 0 HG21 THR A 102 -7.701 -1.110 -9.658 1.00 0.30 H new ATOM 0 HG22 THR A 102 -7.948 0.540 -9.039 1.00 0.30 H new ATOM 0 HG23 THR A 102 -8.851 -0.018 -10.466 1.00 0.30 H new ATOM 1471 N THR A 103 -7.974 3.230 -9.460 1.00 0.21 N ATOM 1472 CA THR A 103 -7.938 4.061 -8.274 1.00 0.19 C ATOM 1473 C THR A 103 -8.479 3.289 -7.077 1.00 0.20 C ATOM 1474 O THR A 103 -9.660 2.951 -7.018 1.00 0.28 O ATOM 1475 CB THR A 103 -8.736 5.361 -8.482 1.00 0.20 C ATOM 1476 OG1 THR A 103 -8.142 6.131 -9.538 1.00 0.22 O ATOM 1477 CG2 THR A 103 -8.781 6.189 -7.208 1.00 0.22 C ATOM 0 H THR A 103 -8.913 3.010 -9.793 1.00 0.21 H new ATOM 0 HA THR A 103 -6.901 4.333 -8.080 1.00 0.19 H new ATOM 0 HB THR A 103 -9.758 5.093 -8.751 1.00 0.20 H new ATOM 0 HG1 THR A 103 -7.490 6.757 -9.159 1.00 0.22 H new ATOM 0 HG21 THR A 103 -9.351 7.101 -7.386 1.00 0.22 H new ATOM 0 HG22 THR A 103 -9.258 5.612 -6.416 1.00 0.22 H new ATOM 0 HG23 THR A 103 -7.766 6.449 -6.907 1.00 0.22 H new ATOM 1485 N TYR A 104 -7.601 3.014 -6.132 1.00 0.17 N ATOM 1486 CA TYR A 104 -7.916 2.152 -5.008 1.00 0.18 C ATOM 1487 C TYR A 104 -8.394 2.960 -3.818 1.00 0.19 C ATOM 1488 O TYR A 104 -7.731 3.905 -3.391 1.00 0.20 O ATOM 1489 CB TYR A 104 -6.679 1.350 -4.615 1.00 0.19 C ATOM 1490 CG TYR A 104 -6.057 0.610 -5.771 1.00 0.20 C ATOM 1491 CD1 TYR A 104 -6.550 -0.624 -6.167 1.00 0.22 C ATOM 1492 CD2 TYR A 104 -4.983 1.148 -6.468 1.00 0.23 C ATOM 1493 CE1 TYR A 104 -5.985 -1.303 -7.230 1.00 0.26 C ATOM 1494 CE2 TYR A 104 -4.414 0.476 -7.531 1.00 0.25 C ATOM 1495 CZ TYR A 104 -4.918 -0.748 -7.907 1.00 0.26 C ATOM 1496 OH TYR A 104 -4.359 -1.421 -8.970 1.00 0.30 O ATOM 0 H TYR A 104 -6.650 3.381 -6.121 1.00 0.17 H new ATOM 0 HA TYR A 104 -8.716 1.476 -5.309 1.00 0.18 H new ATOM 0 HB2 TYR A 104 -5.939 2.024 -4.184 1.00 0.19 H new ATOM 0 HB3 TYR A 104 -6.950 0.635 -3.838 1.00 0.19 H new ATOM 0 HD1 TYR A 104 -7.385 -1.060 -5.639 1.00 0.22 H new ATOM 0 HD2 TYR A 104 -4.586 2.108 -6.173 1.00 0.23 H new ATOM 0 HE1 TYR A 104 -6.377 -2.264 -7.530 1.00 0.26 H new ATOM 0 HE2 TYR A 104 -3.579 0.908 -8.064 1.00 0.25 H new ATOM 0 HH TYR A 104 -3.619 -0.895 -9.338 1.00 0.30 H new ATOM 1506 N ASN A 105 -9.555 2.600 -3.294 1.00 0.18 N ATOM 1507 CA ASN A 105 -10.050 3.218 -2.076 1.00 0.18 C ATOM 1508 C ASN A 105 -9.794 2.292 -0.906 1.00 0.17 C ATOM 1509 O ASN A 105 -10.497 1.295 -0.736 1.00 0.16 O ATOM 1510 CB ASN A 105 -11.554 3.535 -2.141 1.00 0.20 C ATOM 1511 CG ASN A 105 -11.932 4.567 -3.193 1.00 0.24 C ATOM 1512 OD1 ASN A 105 -11.268 4.535 -4.334 1.00 0.46 O flip ATOM 1513 ND2 ASN A 105 -12.853 5.360 -2.992 1.00 0.26 N flip ATOM 0 H ASN A 105 -10.168 1.888 -3.690 1.00 0.18 H new ATOM 0 HA ASN A 105 -9.519 4.162 -1.954 1.00 0.18 H new ATOM 0 HB2 ASN A 105 -12.099 2.613 -2.341 1.00 0.20 H new ATOM 0 HB3 ASN A 105 -11.880 3.893 -1.164 1.00 0.20 H new ATOM 0 HD21 ASN A 105 -13.344 5.356 -2.098 1.00 0.26 H new ATOM 0 HD22 ASN A 105 -13.125 6.021 -3.720 1.00 0.26 H new ATOM 1520 N PHE A 106 -8.785 2.605 -0.111 1.00 0.18 N ATOM 1521 CA PHE A 106 -8.493 1.806 1.065 1.00 0.17 C ATOM 1522 C PHE A 106 -9.364 2.290 2.213 1.00 0.19 C ATOM 1523 O PHE A 106 -9.168 3.389 2.735 1.00 0.23 O ATOM 1524 CB PHE A 106 -7.012 1.920 1.447 1.00 0.19 C ATOM 1525 CG PHE A 106 -6.056 1.485 0.366 1.00 0.18 C ATOM 1526 CD1 PHE A 106 -5.699 0.155 0.238 1.00 0.21 C ATOM 1527 CD2 PHE A 106 -5.524 2.402 -0.528 1.00 0.31 C ATOM 1528 CE1 PHE A 106 -4.832 -0.255 -0.758 1.00 0.21 C ATOM 1529 CE2 PHE A 106 -4.656 2.001 -1.522 1.00 0.34 C ATOM 1530 CZ PHE A 106 -4.275 0.696 -1.619 1.00 0.23 C ATOM 0 H PHE A 106 -8.161 3.398 -0.256 1.00 0.18 H new ATOM 0 HA PHE A 106 -8.706 0.759 0.850 1.00 0.17 H new ATOM 0 HB2 PHE A 106 -6.796 2.955 1.711 1.00 0.19 H new ATOM 0 HB3 PHE A 106 -6.832 1.319 2.338 1.00 0.19 H new ATOM 0 HD1 PHE A 106 -6.103 -0.573 0.925 1.00 0.21 H new ATOM 0 HD2 PHE A 106 -5.793 3.445 -0.445 1.00 0.31 H new ATOM 0 HE1 PHE A 106 -4.587 -1.301 -0.870 1.00 0.21 H new ATOM 0 HE2 PHE A 106 -4.276 2.725 -2.227 1.00 0.34 H new ATOM 0 HZ PHE A 106 -3.546 0.398 -2.358 1.00 0.23 H new ATOM 1540 N THR A 107 -10.338 1.483 2.587 1.00 0.17 N ATOM 1541 CA THR A 107 -11.251 1.840 3.652 1.00 0.21 C ATOM 1542 C THR A 107 -11.234 0.794 4.755 1.00 0.20 C ATOM 1543 O THR A 107 -11.172 -0.399 4.486 1.00 0.22 O ATOM 1544 CB THR A 107 -12.686 2.007 3.120 1.00 0.26 C ATOM 1545 OG1 THR A 107 -12.682 2.902 2.000 1.00 0.39 O ATOM 1546 CG2 THR A 107 -13.602 2.550 4.205 1.00 0.35 C ATOM 0 H THR A 107 -10.517 0.571 2.166 1.00 0.17 H new ATOM 0 HA THR A 107 -10.916 2.793 4.062 1.00 0.21 H new ATOM 0 HB THR A 107 -13.058 1.031 2.809 1.00 0.26 H new ATOM 0 HG1 THR A 107 -13.369 3.589 2.128 1.00 0.39 H new ATOM 0 HG21 THR A 107 -14.611 2.660 3.808 1.00 0.35 H new ATOM 0 HG22 THR A 107 -13.617 1.859 5.048 1.00 0.35 H new ATOM 0 HG23 THR A 107 -13.235 3.521 4.539 1.00 0.35 H new ATOM 1554 N PHE A 108 -11.265 1.242 5.995 1.00 0.28 N ATOM 1555 CA PHE A 108 -11.364 0.330 7.116 1.00 0.26 C ATOM 1556 C PHE A 108 -12.313 0.911 8.151 1.00 0.27 C ATOM 1557 O PHE A 108 -12.673 2.087 8.064 1.00 0.33 O ATOM 1558 CB PHE A 108 -9.986 0.062 7.730 1.00 0.29 C ATOM 1559 CG PHE A 108 -9.949 -1.154 8.613 1.00 0.29 C ATOM 1560 CD1 PHE A 108 -9.719 -1.028 9.972 1.00 0.34 C ATOM 1561 CD2 PHE A 108 -10.142 -2.421 8.086 1.00 0.31 C ATOM 1562 CE1 PHE A 108 -9.681 -2.140 10.789 1.00 0.39 C ATOM 1563 CE2 PHE A 108 -10.105 -3.537 8.898 1.00 0.36 C ATOM 1564 CZ PHE A 108 -9.886 -3.408 10.236 1.00 0.38 C ATOM 0 H PHE A 108 -11.223 2.229 6.250 1.00 0.28 H new ATOM 0 HA PHE A 108 -11.755 -0.625 6.765 1.00 0.26 H new ATOM 0 HB2 PHE A 108 -9.257 -0.058 6.929 1.00 0.29 H new ATOM 0 HB3 PHE A 108 -9.680 0.932 8.311 1.00 0.29 H new ATOM 0 HD1 PHE A 108 -9.567 -0.047 10.399 1.00 0.34 H new ATOM 0 HD2 PHE A 108 -10.323 -2.537 7.028 1.00 0.31 H new ATOM 0 HE1 PHE A 108 -9.494 -2.032 11.847 1.00 0.39 H new ATOM 0 HE2 PHE A 108 -10.251 -4.518 8.470 1.00 0.36 H new ATOM 0 HZ PHE A 108 -9.871 -4.283 10.869 1.00 0.38 H new ATOM 1574 N LYS A 109 -12.715 0.106 9.121 1.00 0.25 N ATOM 1575 CA LYS A 109 -13.613 0.570 10.162 1.00 0.26 C ATOM 1576 C LYS A 109 -12.897 1.618 11.001 1.00 0.27 C ATOM 1577 O LYS A 109 -13.461 2.657 11.337 1.00 0.33 O ATOM 1578 CB LYS A 109 -14.065 -0.618 11.024 1.00 0.30 C ATOM 1579 CG LYS A 109 -15.176 -0.298 12.015 1.00 0.68 C ATOM 1580 CD LYS A 109 -14.633 0.373 13.262 1.00 0.77 C ATOM 1581 CE LYS A 109 -13.858 -0.600 14.136 1.00 1.16 C ATOM 1582 NZ LYS A 109 -13.311 0.062 15.347 1.00 1.94 N ATOM 0 H LYS A 109 -12.433 -0.870 9.208 1.00 0.25 H new ATOM 0 HA LYS A 109 -14.501 1.022 9.720 1.00 0.26 H new ATOM 0 HB2 LYS A 109 -14.403 -1.419 10.366 1.00 0.30 H new ATOM 0 HB3 LYS A 109 -13.204 -0.999 11.574 1.00 0.30 H new ATOM 0 HG2 LYS A 109 -15.911 0.353 11.541 1.00 0.68 H new ATOM 0 HG3 LYS A 109 -15.694 -1.216 12.291 1.00 0.68 H new ATOM 0 HD2 LYS A 109 -13.984 1.201 12.976 1.00 0.77 H new ATOM 0 HD3 LYS A 109 -15.458 0.798 13.834 1.00 0.77 H new ATOM 0 HE2 LYS A 109 -14.511 -1.420 14.434 1.00 1.16 H new ATOM 0 HE3 LYS A 109 -13.042 -1.035 13.560 1.00 1.16 H new ATOM 0 HZ1 LYS A 109 -12.789 -0.634 15.917 1.00 1.94 H new ATOM 0 HZ2 LYS A 109 -12.668 0.829 15.063 1.00 1.94 H new ATOM 0 HZ3 LYS A 109 -14.092 0.456 15.910 1.00 1.94 H new ATOM 1596 N SER A 110 -11.637 1.337 11.301 1.00 0.28 N ATOM 1597 CA SER A 110 -10.808 2.231 12.086 1.00 0.32 C ATOM 1598 C SER A 110 -10.250 3.347 11.204 1.00 0.41 C ATOM 1599 O SER A 110 -9.445 3.086 10.305 1.00 0.50 O ATOM 1600 CB SER A 110 -9.648 1.443 12.692 1.00 0.36 C ATOM 1601 OG SER A 110 -8.963 2.197 13.674 1.00 1.03 O ATOM 0 H SER A 110 -11.164 0.483 11.006 1.00 0.28 H new ATOM 0 HA SER A 110 -11.414 2.672 12.878 1.00 0.32 H new ATOM 0 HB2 SER A 110 -10.026 0.523 13.137 1.00 0.36 H new ATOM 0 HB3 SER A 110 -8.953 1.154 11.904 1.00 0.36 H new ATOM 0 HG SER A 110 -8.228 1.663 14.043 1.00 1.03 H new ATOM 1607 N PRO A 111 -10.686 4.602 11.426 1.00 0.48 N ATOM 1608 CA PRO A 111 -10.134 5.758 10.729 1.00 0.59 C ATOM 1609 C PRO A 111 -8.621 5.849 10.897 1.00 0.67 C ATOM 1610 O PRO A 111 -7.904 6.115 9.938 1.00 1.09 O ATOM 1611 CB PRO A 111 -10.825 6.966 11.373 1.00 0.73 C ATOM 1612 CG PRO A 111 -11.506 6.444 12.591 1.00 0.77 C ATOM 1613 CD PRO A 111 -11.773 4.990 12.335 1.00 0.56 C ATOM 0 HA PRO A 111 -10.308 5.700 9.655 1.00 0.59 H new ATOM 0 HB2 PRO A 111 -10.101 7.739 11.631 1.00 0.73 H new ATOM 0 HB3 PRO A 111 -11.542 7.417 10.687 1.00 0.73 H new ATOM 0 HG2 PRO A 111 -10.879 6.575 13.473 1.00 0.77 H new ATOM 0 HG3 PRO A 111 -12.435 6.983 12.778 1.00 0.77 H new ATOM 0 HD2 PRO A 111 -11.753 4.409 13.257 1.00 0.56 H new ATOM 0 HD3 PRO A 111 -12.752 4.834 11.881 1.00 0.56 H new ATOM 1621 N GLY A 112 -8.137 5.578 12.100 1.00 0.44 N ATOM 1622 CA GLY A 112 -6.717 5.668 12.366 1.00 0.49 C ATOM 1623 C GLY A 112 -5.914 4.663 11.568 1.00 0.46 C ATOM 1624 O GLY A 112 -4.754 4.906 11.237 1.00 0.63 O ATOM 0 H GLY A 112 -8.705 5.296 12.899 1.00 0.44 H new ATOM 0 HA2 GLY A 112 -6.370 6.674 12.132 1.00 0.49 H new ATOM 0 HA3 GLY A 112 -6.539 5.509 13.429 1.00 0.49 H new ATOM 1628 N GLU A 113 -6.542 3.543 11.237 1.00 0.32 N ATOM 1629 CA GLU A 113 -5.866 2.472 10.522 1.00 0.30 C ATOM 1630 C GLU A 113 -5.498 2.915 9.106 1.00 0.31 C ATOM 1631 O GLU A 113 -4.339 2.818 8.692 1.00 0.34 O ATOM 1632 CB GLU A 113 -6.781 1.244 10.465 1.00 0.28 C ATOM 1633 CG GLU A 113 -6.126 0.007 9.882 1.00 0.32 C ATOM 1634 CD GLU A 113 -4.894 -0.410 10.652 1.00 0.70 C ATOM 1635 OE1 GLU A 113 -5.012 -1.254 11.562 1.00 1.14 O ATOM 1636 OE2 GLU A 113 -3.801 0.109 10.352 1.00 0.76 O ATOM 0 H GLU A 113 -7.521 3.353 11.453 1.00 0.32 H new ATOM 0 HA GLU A 113 -4.947 2.220 11.050 1.00 0.30 H new ATOM 0 HB2 GLU A 113 -7.128 1.017 11.473 1.00 0.28 H new ATOM 0 HB3 GLU A 113 -7.662 1.489 9.872 1.00 0.28 H new ATOM 0 HG2 GLU A 113 -6.844 -0.813 9.878 1.00 0.32 H new ATOM 0 HG3 GLU A 113 -5.855 0.198 8.844 1.00 0.32 H new ATOM 1643 N ARG A 114 -6.484 3.409 8.367 1.00 0.35 N ATOM 1644 CA ARG A 114 -6.239 3.870 7.003 1.00 0.43 C ATOM 1645 C ARG A 114 -5.500 5.207 6.996 1.00 0.38 C ATOM 1646 O ARG A 114 -4.757 5.501 6.060 1.00 0.40 O ATOM 1647 CB ARG A 114 -7.515 3.930 6.153 1.00 0.61 C ATOM 1648 CG ARG A 114 -8.787 3.524 6.872 1.00 0.87 C ATOM 1649 CD ARG A 114 -9.383 4.701 7.612 1.00 0.65 C ATOM 1650 NE ARG A 114 -9.713 5.770 6.683 1.00 1.24 N ATOM 1651 CZ ARG A 114 -9.331 7.046 6.790 1.00 2.02 C ATOM 1652 NH1 ARG A 114 -8.634 7.458 7.824 1.00 2.55 N ATOM 1653 NH2 ARG A 114 -9.666 7.915 5.848 1.00 2.83 N ATOM 0 H ARG A 114 -7.450 3.501 8.683 1.00 0.35 H new ATOM 0 HA ARG A 114 -5.596 3.124 6.535 1.00 0.43 H new ATOM 0 HB2 ARG A 114 -7.636 4.947 5.779 1.00 0.61 H new ATOM 0 HB3 ARG A 114 -7.385 3.284 5.285 1.00 0.61 H new ATOM 0 HG2 ARG A 114 -9.509 3.137 6.153 1.00 0.87 H new ATOM 0 HG3 ARG A 114 -8.572 2.718 7.574 1.00 0.87 H new ATOM 0 HD2 ARG A 114 -10.279 4.386 8.147 1.00 0.65 H new ATOM 0 HD3 ARG A 114 -8.677 5.065 8.359 1.00 0.65 H new ATOM 0 HE ARG A 114 -10.288 5.524 5.877 1.00 1.24 H new ATOM 0 HH11 ARG A 114 -8.377 6.801 8.560 1.00 2.55 H new ATOM 0 HH12 ARG A 114 -8.350 8.435 7.891 1.00 2.55 H new ATOM 0 HH21 ARG A 114 -10.214 7.609 5.044 1.00 2.83 H new ATOM 0 HH22 ARG A 114 -9.376 8.890 5.927 1.00 2.83 H new ATOM 1667 N GLU A 115 -5.702 6.017 8.041 1.00 0.42 N ATOM 1668 CA GLU A 115 -4.922 7.247 8.211 1.00 0.48 C ATOM 1669 C GLU A 115 -3.434 6.954 8.174 1.00 0.37 C ATOM 1670 O GLU A 115 -2.682 7.620 7.461 1.00 0.40 O ATOM 1671 CB GLU A 115 -5.235 7.924 9.534 1.00 0.64 C ATOM 1672 CG GLU A 115 -6.485 8.764 9.495 1.00 1.24 C ATOM 1673 CD GLU A 115 -6.473 9.784 8.377 1.00 1.38 C ATOM 1674 OE1 GLU A 115 -5.454 10.491 8.236 1.00 1.49 O ATOM 1675 OE2 GLU A 115 -7.479 9.892 7.646 1.00 1.59 O ATOM 0 H GLU A 115 -6.391 5.846 8.774 1.00 0.42 H new ATOM 0 HA GLU A 115 -5.196 7.907 7.388 1.00 0.48 H new ATOM 0 HB2 GLU A 115 -5.342 7.163 10.307 1.00 0.64 H new ATOM 0 HB3 GLU A 115 -4.392 8.553 9.820 1.00 0.64 H new ATOM 0 HG2 GLU A 115 -7.351 8.113 9.377 1.00 1.24 H new ATOM 0 HG3 GLU A 115 -6.601 9.279 10.449 1.00 1.24 H new ATOM 1682 N SER A 116 -3.022 5.949 8.942 1.00 0.33 N ATOM 1683 CA SER A 116 -1.628 5.542 8.983 1.00 0.36 C ATOM 1684 C SER A 116 -1.131 5.158 7.593 1.00 0.31 C ATOM 1685 O SER A 116 0.023 5.379 7.262 1.00 0.38 O ATOM 1686 CB SER A 116 -1.446 4.368 9.948 1.00 0.45 C ATOM 1687 OG SER A 116 -1.905 4.704 11.247 1.00 1.15 O ATOM 0 H SER A 116 -3.638 5.403 9.544 1.00 0.33 H new ATOM 0 HA SER A 116 -1.039 6.388 9.337 1.00 0.36 H new ATOM 0 HB2 SER A 116 -1.992 3.500 9.578 1.00 0.45 H new ATOM 0 HB3 SER A 116 -0.394 4.087 9.991 1.00 0.45 H new ATOM 0 HG SER A 116 -2.885 4.727 11.252 1.00 1.15 H new ATOM 1693 N TRP A 117 -2.015 4.607 6.773 1.00 0.25 N ATOM 1694 CA TRP A 117 -1.631 4.153 5.445 1.00 0.24 C ATOM 1695 C TRP A 117 -1.386 5.341 4.522 1.00 0.21 C ATOM 1696 O TRP A 117 -0.325 5.458 3.913 1.00 0.23 O ATOM 1697 CB TRP A 117 -2.718 3.255 4.852 1.00 0.26 C ATOM 1698 CG TRP A 117 -2.161 2.046 4.177 1.00 0.23 C ATOM 1699 CD1 TRP A 117 -1.986 0.823 4.737 1.00 0.23 C ATOM 1700 CD2 TRP A 117 -1.695 1.938 2.829 1.00 0.22 C ATOM 1701 NE1 TRP A 117 -1.434 -0.042 3.831 1.00 0.21 N ATOM 1702 CE2 TRP A 117 -1.245 0.615 2.653 1.00 0.21 C ATOM 1703 CE3 TRP A 117 -1.611 2.824 1.756 1.00 0.25 C ATOM 1704 CZ2 TRP A 117 -0.720 0.157 1.454 1.00 0.22 C ATOM 1705 CZ3 TRP A 117 -1.089 2.371 0.562 1.00 0.26 C ATOM 1706 CH2 TRP A 117 -0.648 1.047 0.419 1.00 0.24 C ATOM 0 H TRP A 117 -2.998 4.464 7.003 1.00 0.25 H new ATOM 0 HA TRP A 117 -0.708 3.581 5.536 1.00 0.24 H new ATOM 0 HB2 TRP A 117 -3.398 2.943 5.645 1.00 0.26 H new ATOM 0 HB3 TRP A 117 -3.306 3.828 4.135 1.00 0.26 H new ATOM 0 HD1 TRP A 117 -2.245 0.568 5.754 1.00 0.23 H new ATOM 0 HE1 TRP A 117 -1.202 -1.019 4.009 1.00 0.21 H new ATOM 0 HE3 TRP A 117 -1.948 3.845 1.857 1.00 0.25 H new ATOM 0 HZ2 TRP A 117 -0.381 -0.862 1.342 1.00 0.22 H new ATOM 0 HZ3 TRP A 117 -1.019 3.047 -0.277 1.00 0.26 H new ATOM 0 HH2 TRP A 117 -0.243 0.724 -0.529 1.00 0.24 H new ATOM 1717 N GLN A 118 -2.375 6.227 4.460 1.00 0.20 N ATOM 1718 CA GLN A 118 -2.362 7.386 3.565 1.00 0.19 C ATOM 1719 C GLN A 118 -1.076 8.207 3.703 1.00 0.18 C ATOM 1720 O GLN A 118 -0.432 8.543 2.710 1.00 0.21 O ATOM 1721 CB GLN A 118 -3.590 8.257 3.866 1.00 0.19 C ATOM 1722 CG GLN A 118 -3.639 9.582 3.119 1.00 0.17 C ATOM 1723 CD GLN A 118 -3.753 9.429 1.617 1.00 0.33 C ATOM 1724 OE1 GLN A 118 -4.364 8.344 1.168 1.00 0.74 O flip ATOM 1725 NE2 GLN A 118 -3.294 10.285 0.866 1.00 0.19 N flip ATOM 0 H GLN A 118 -3.216 6.163 5.033 1.00 0.20 H new ATOM 0 HA GLN A 118 -2.397 7.028 2.536 1.00 0.19 H new ATOM 0 HB2 GLN A 118 -4.488 7.688 3.625 1.00 0.19 H new ATOM 0 HB3 GLN A 118 -3.619 8.460 4.937 1.00 0.19 H new ATOM 0 HG2 GLN A 118 -4.487 10.163 3.482 1.00 0.17 H new ATOM 0 HG3 GLN A 118 -2.740 10.153 3.350 1.00 0.17 H new ATOM 0 HE21 GLN A 118 -2.830 11.107 1.253 1.00 0.19 H new ATOM 0 HE22 GLN A 118 -3.377 10.174 -0.145 1.00 0.19 H new ATOM 1734 N GLU A 119 -0.708 8.525 4.931 1.00 0.19 N ATOM 1735 CA GLU A 119 0.474 9.335 5.190 1.00 0.22 C ATOM 1736 C GLU A 119 1.765 8.539 4.985 1.00 0.20 C ATOM 1737 O GLU A 119 2.742 9.053 4.442 1.00 0.26 O ATOM 1738 CB GLU A 119 0.409 9.879 6.615 1.00 0.27 C ATOM 1739 CG GLU A 119 0.239 8.787 7.654 1.00 0.27 C ATOM 1740 CD GLU A 119 0.034 9.323 9.057 1.00 0.39 C ATOM 1741 OE1 GLU A 119 -1.067 9.830 9.355 1.00 0.47 O ATOM 1742 OE2 GLU A 119 0.976 9.235 9.875 1.00 0.47 O ATOM 0 H GLU A 119 -1.211 8.234 5.769 1.00 0.19 H new ATOM 0 HA GLU A 119 0.486 10.160 4.478 1.00 0.22 H new ATOM 0 HB2 GLU A 119 1.320 10.438 6.828 1.00 0.27 H new ATOM 0 HB3 GLU A 119 -0.421 10.581 6.693 1.00 0.27 H new ATOM 0 HG2 GLU A 119 -0.614 8.165 7.382 1.00 0.27 H new ATOM 0 HG3 GLU A 119 1.119 8.144 7.643 1.00 0.27 H new ATOM 1749 N GLN A 120 1.755 7.281 5.406 1.00 0.17 N ATOM 1750 CA GLN A 120 2.964 6.465 5.410 1.00 0.18 C ATOM 1751 C GLN A 120 3.380 6.031 4.018 1.00 0.17 C ATOM 1752 O GLN A 120 4.573 5.978 3.712 1.00 0.18 O ATOM 1753 CB GLN A 120 2.776 5.244 6.301 1.00 0.19 C ATOM 1754 CG GLN A 120 3.071 5.526 7.762 1.00 0.23 C ATOM 1755 CD GLN A 120 4.520 5.892 7.979 1.00 0.27 C ATOM 1756 OE1 GLN A 120 5.386 5.377 7.123 1.00 0.32 O flip ATOM 1757 NE2 GLN A 120 4.858 6.642 8.892 1.00 0.25 N flip ATOM 0 H GLN A 120 0.922 6.802 5.750 1.00 0.17 H new ATOM 0 HA GLN A 120 3.765 7.089 5.807 1.00 0.18 H new ATOM 0 HB2 GLN A 120 1.751 4.886 6.206 1.00 0.19 H new ATOM 0 HB3 GLN A 120 3.428 4.443 5.952 1.00 0.19 H new ATOM 0 HG2 GLN A 120 2.434 6.339 8.112 1.00 0.23 H new ATOM 0 HG3 GLN A 120 2.824 4.648 8.359 1.00 0.23 H new ATOM 0 HE21 GLN A 120 4.156 7.017 9.530 1.00 0.25 H new ATOM 0 HE22 GLN A 120 5.840 6.889 9.012 1.00 0.25 H new ATOM 1766 N ILE A 121 2.407 5.716 3.180 1.00 0.17 N ATOM 1767 CA ILE A 121 2.696 5.275 1.827 1.00 0.18 C ATOM 1768 C ILE A 121 3.419 6.373 1.053 1.00 0.21 C ATOM 1769 O ILE A 121 4.365 6.102 0.317 1.00 0.21 O ATOM 1770 CB ILE A 121 1.415 4.840 1.081 1.00 0.19 C ATOM 1771 CG1 ILE A 121 1.754 4.281 -0.304 1.00 0.19 C ATOM 1772 CG2 ILE A 121 0.428 5.993 0.958 1.00 0.22 C ATOM 1773 CD1 ILE A 121 2.590 3.021 -0.264 1.00 0.19 C ATOM 0 H ILE A 121 1.414 5.757 3.412 1.00 0.17 H new ATOM 0 HA ILE A 121 3.347 4.404 1.896 1.00 0.18 H new ATOM 0 HB ILE A 121 0.944 4.052 1.669 1.00 0.19 H new ATOM 0 HG12 ILE A 121 0.827 4.075 -0.839 1.00 0.19 H new ATOM 0 HG13 ILE A 121 2.288 5.043 -0.873 1.00 0.19 H new ATOM 0 HG21 ILE A 121 -0.463 5.655 0.428 1.00 0.22 H new ATOM 0 HG22 ILE A 121 0.149 6.340 1.953 1.00 0.22 H new ATOM 0 HG23 ILE A 121 0.890 6.810 0.405 1.00 0.22 H new ATOM 0 HD11 ILE A 121 2.790 2.685 -1.281 1.00 0.19 H new ATOM 0 HD12 ILE A 121 3.533 3.226 0.242 1.00 0.19 H new ATOM 0 HD13 ILE A 121 2.050 2.243 0.276 1.00 0.19 H new ATOM 1785 N GLN A 122 3.006 7.617 1.276 1.00 0.26 N ATOM 1786 CA GLN A 122 3.608 8.759 0.599 1.00 0.33 C ATOM 1787 C GLN A 122 5.071 8.900 0.996 1.00 0.27 C ATOM 1788 O GLN A 122 5.938 9.137 0.153 1.00 0.26 O ATOM 1789 CB GLN A 122 2.846 10.037 0.939 1.00 0.50 C ATOM 1790 CG GLN A 122 1.442 10.081 0.364 1.00 0.75 C ATOM 1791 CD GLN A 122 0.686 11.327 0.774 1.00 0.63 C ATOM 1792 OE1 GLN A 122 0.748 12.355 0.101 1.00 1.00 O ATOM 1793 NE2 GLN A 122 -0.038 11.240 1.875 1.00 0.39 N ATOM 0 H GLN A 122 2.255 7.859 1.922 1.00 0.26 H new ATOM 0 HA GLN A 122 3.553 8.593 -0.477 1.00 0.33 H new ATOM 0 HB2 GLN A 122 2.789 10.138 2.023 1.00 0.50 H new ATOM 0 HB3 GLN A 122 3.408 10.894 0.568 1.00 0.50 H new ATOM 0 HG2 GLN A 122 1.497 10.035 -0.724 1.00 0.75 H new ATOM 0 HG3 GLN A 122 0.890 9.200 0.693 1.00 0.75 H new ATOM 0 HE21 GLN A 122 -0.061 10.367 2.403 1.00 0.39 H new ATOM 0 HE22 GLN A 122 -0.574 12.045 2.198 1.00 0.39 H new ATOM 1802 N SER A 123 5.339 8.726 2.283 1.00 0.27 N ATOM 1803 CA SER A 123 6.693 8.804 2.807 1.00 0.26 C ATOM 1804 C SER A 123 7.572 7.703 2.205 1.00 0.20 C ATOM 1805 O SER A 123 8.756 7.914 1.947 1.00 0.23 O ATOM 1806 CB SER A 123 6.662 8.689 4.331 1.00 0.30 C ATOM 1807 OG SER A 123 5.783 9.648 4.897 1.00 1.03 O ATOM 0 H SER A 123 4.629 8.528 2.988 1.00 0.27 H new ATOM 0 HA SER A 123 7.122 9.767 2.530 1.00 0.26 H new ATOM 0 HB2 SER A 123 6.344 7.686 4.617 1.00 0.30 H new ATOM 0 HB3 SER A 123 7.666 8.831 4.730 1.00 0.30 H new ATOM 0 HG SER A 123 4.856 9.352 4.780 1.00 1.03 H new ATOM 1813 N LEU A 124 6.979 6.535 1.976 1.00 0.16 N ATOM 1814 CA LEU A 124 7.688 5.414 1.366 1.00 0.13 C ATOM 1815 C LEU A 124 7.955 5.702 -0.110 1.00 0.14 C ATOM 1816 O LEU A 124 9.058 5.469 -0.611 1.00 0.17 O ATOM 1817 CB LEU A 124 6.863 4.123 1.544 1.00 0.13 C ATOM 1818 CG LEU A 124 7.498 2.807 1.046 1.00 0.15 C ATOM 1819 CD1 LEU A 124 7.254 2.604 -0.440 1.00 0.18 C ATOM 1820 CD2 LEU A 124 8.990 2.772 1.341 1.00 0.18 C ATOM 0 H LEU A 124 6.004 6.339 2.205 1.00 0.16 H new ATOM 0 HA LEU A 124 8.651 5.278 1.859 1.00 0.13 H new ATOM 0 HB2 LEU A 124 6.638 4.009 2.604 1.00 0.13 H new ATOM 0 HB3 LEU A 124 5.912 4.256 1.028 1.00 0.13 H new ATOM 0 HG LEU A 124 7.019 1.991 1.587 1.00 0.15 H new ATOM 0 HD11 LEU A 124 7.714 1.669 -0.760 1.00 0.18 H new ATOM 0 HD12 LEU A 124 6.182 2.565 -0.631 1.00 0.18 H new ATOM 0 HD13 LEU A 124 7.692 3.432 -0.997 1.00 0.18 H new ATOM 0 HD21 LEU A 124 9.411 1.834 0.979 1.00 0.18 H new ATOM 0 HD22 LEU A 124 9.480 3.607 0.839 1.00 0.18 H new ATOM 0 HD23 LEU A 124 9.150 2.851 2.416 1.00 0.18 H new ATOM 1832 N MET A 125 6.943 6.224 -0.792 1.00 0.15 N ATOM 1833 CA MET A 125 7.052 6.552 -2.211 1.00 0.18 C ATOM 1834 C MET A 125 8.184 7.527 -2.466 1.00 0.20 C ATOM 1835 O MET A 125 9.050 7.285 -3.297 1.00 0.24 O ATOM 1836 CB MET A 125 5.755 7.181 -2.702 1.00 0.21 C ATOM 1837 CG MET A 125 4.570 6.242 -2.672 1.00 0.21 C ATOM 1838 SD MET A 125 3.006 7.128 -2.680 1.00 0.26 S ATOM 1839 CE MET A 125 3.255 8.222 -4.070 1.00 0.25 C ATOM 0 H MET A 125 6.032 6.431 -0.384 1.00 0.15 H new ATOM 0 HA MET A 125 7.252 5.624 -2.747 1.00 0.18 H new ATOM 0 HB2 MET A 125 5.531 8.054 -2.088 1.00 0.21 H new ATOM 0 HB3 MET A 125 5.899 7.537 -3.722 1.00 0.21 H new ATOM 0 HG2 MET A 125 4.614 5.576 -3.534 1.00 0.21 H new ATOM 0 HG3 MET A 125 4.627 5.615 -1.782 1.00 0.21 H new ATOM 0 HE1 MET A 125 2.288 8.548 -4.454 1.00 0.25 H new ATOM 0 HE2 MET A 125 3.830 9.091 -3.751 1.00 0.25 H new ATOM 0 HE3 MET A 125 3.798 7.696 -4.855 1.00 0.25 H new ATOM 1849 N LYS A 126 8.189 8.614 -1.718 1.00 0.20 N ATOM 1850 CA LYS A 126 9.178 9.664 -1.909 1.00 0.26 C ATOM 1851 C LYS A 126 10.553 9.200 -1.449 1.00 0.29 C ATOM 1852 O LYS A 126 11.570 9.768 -1.834 1.00 0.41 O ATOM 1853 CB LYS A 126 8.754 10.921 -1.151 1.00 0.31 C ATOM 1854 CG LYS A 126 7.360 11.410 -1.523 1.00 0.32 C ATOM 1855 CD LYS A 126 7.284 11.857 -2.971 1.00 0.46 C ATOM 1856 CE LYS A 126 5.883 12.324 -3.329 1.00 0.60 C ATOM 1857 NZ LYS A 126 5.461 13.497 -2.516 1.00 1.34 N ATOM 0 H LYS A 126 7.519 8.795 -0.971 1.00 0.20 H new ATOM 0 HA LYS A 126 9.240 9.897 -2.972 1.00 0.26 H new ATOM 0 HB2 LYS A 126 8.787 10.719 -0.080 1.00 0.31 H new ATOM 0 HB3 LYS A 126 9.474 11.715 -1.348 1.00 0.31 H new ATOM 0 HG2 LYS A 126 6.638 10.612 -1.351 1.00 0.32 H new ATOM 0 HG3 LYS A 126 7.080 12.239 -0.872 1.00 0.32 H new ATOM 0 HD2 LYS A 126 7.995 12.666 -3.143 1.00 0.46 H new ATOM 0 HD3 LYS A 126 7.574 11.034 -3.624 1.00 0.46 H new ATOM 0 HE2 LYS A 126 5.847 12.584 -4.387 1.00 0.60 H new ATOM 0 HE3 LYS A 126 5.179 11.506 -3.178 1.00 0.60 H new ATOM 0 HZ1 LYS A 126 4.606 13.918 -2.932 1.00 1.34 H new ATOM 0 HZ2 LYS A 126 5.257 13.190 -1.543 1.00 1.34 H new ATOM 0 HZ3 LYS A 126 6.224 14.203 -2.503 1.00 1.34 H new ATOM 1871 N PHE A 127 10.573 8.168 -0.617 1.00 0.25 N ATOM 1872 CA PHE A 127 11.819 7.585 -0.149 1.00 0.30 C ATOM 1873 C PHE A 127 12.520 6.808 -1.261 1.00 0.35 C ATOM 1874 O PHE A 127 13.672 7.072 -1.586 1.00 0.43 O ATOM 1875 CB PHE A 127 11.560 6.665 1.043 1.00 0.28 C ATOM 1876 CG PHE A 127 12.806 6.027 1.587 1.00 0.33 C ATOM 1877 CD1 PHE A 127 12.950 4.651 1.588 1.00 0.39 C ATOM 1878 CD2 PHE A 127 13.838 6.807 2.088 1.00 0.41 C ATOM 1879 CE1 PHE A 127 14.098 4.063 2.082 1.00 0.45 C ATOM 1880 CE2 PHE A 127 14.988 6.223 2.584 1.00 0.47 C ATOM 1881 CZ PHE A 127 15.117 4.851 2.580 1.00 0.47 C ATOM 0 H PHE A 127 9.735 7.716 -0.252 1.00 0.25 H new ATOM 0 HA PHE A 127 12.472 8.401 0.161 1.00 0.30 H new ATOM 0 HB2 PHE A 127 11.078 7.237 1.836 1.00 0.28 H new ATOM 0 HB3 PHE A 127 10.862 5.883 0.744 1.00 0.28 H new ATOM 0 HD1 PHE A 127 12.157 4.030 1.199 1.00 0.39 H new ATOM 0 HD2 PHE A 127 13.742 7.883 2.090 1.00 0.41 H new ATOM 0 HE1 PHE A 127 14.199 2.988 2.079 1.00 0.45 H new ATOM 0 HE2 PHE A 127 15.784 6.840 2.974 1.00 0.47 H new ATOM 0 HZ PHE A 127 16.015 4.392 2.966 1.00 0.47 H new ATOM 1891 N MET A 128 11.821 5.848 -1.847 1.00 0.36 N ATOM 1892 CA MET A 128 12.437 4.975 -2.841 1.00 0.46 C ATOM 1893 C MET A 128 12.382 5.593 -4.233 1.00 0.47 C ATOM 1894 O MET A 128 13.236 5.318 -5.079 1.00 0.57 O ATOM 1895 CB MET A 128 11.781 3.585 -2.831 1.00 0.54 C ATOM 1896 CG MET A 128 10.281 3.572 -3.109 1.00 0.53 C ATOM 1897 SD MET A 128 9.866 3.777 -4.858 1.00 1.04 S ATOM 1898 CE MET A 128 10.743 2.400 -5.592 1.00 1.63 C ATOM 0 H MET A 128 10.838 5.653 -1.656 1.00 0.36 H new ATOM 0 HA MET A 128 13.487 4.857 -2.573 1.00 0.46 H new ATOM 0 HB2 MET A 128 12.277 2.961 -3.574 1.00 0.54 H new ATOM 0 HB3 MET A 128 11.958 3.124 -1.859 1.00 0.54 H new ATOM 0 HG2 MET A 128 9.862 2.631 -2.753 1.00 0.53 H new ATOM 0 HG3 MET A 128 9.807 4.369 -2.536 1.00 0.53 H new ATOM 0 HE1 MET A 128 10.113 1.928 -6.346 1.00 1.63 H new ATOM 0 HE2 MET A 128 11.660 2.760 -6.058 1.00 1.63 H new ATOM 0 HE3 MET A 128 10.990 1.672 -4.819 1.00 1.63 H new ATOM 1908 N SER A 129 11.393 6.440 -4.462 1.00 0.46 N ATOM 1909 CA SER A 129 11.207 7.058 -5.764 1.00 0.56 C ATOM 1910 C SER A 129 11.747 8.485 -5.763 1.00 0.62 C ATOM 1911 O SER A 129 11.409 9.292 -6.633 1.00 0.91 O ATOM 1912 CB SER A 129 9.721 7.036 -6.147 1.00 0.75 C ATOM 1913 OG SER A 129 9.518 7.447 -7.490 1.00 1.11 O ATOM 0 H SER A 129 10.705 6.716 -3.761 1.00 0.46 H new ATOM 0 HA SER A 129 11.766 6.489 -6.507 1.00 0.56 H new ATOM 0 HB2 SER A 129 9.325 6.030 -6.011 1.00 0.75 H new ATOM 0 HB3 SER A 129 9.163 7.691 -5.478 1.00 0.75 H new ATOM 0 HG SER A 129 9.466 6.658 -8.069 1.00 1.11 H new ATOM 1919 N MET A 130 12.587 8.799 -4.782 1.00 0.61 N ATOM 1920 CA MET A 130 13.250 10.093 -4.746 1.00 0.70 C ATOM 1921 C MET A 130 14.169 10.227 -5.952 1.00 0.96 C ATOM 1922 O MET A 130 14.870 9.283 -6.316 1.00 1.30 O ATOM 1923 CB MET A 130 14.042 10.277 -3.451 1.00 0.85 C ATOM 1924 CG MET A 130 15.116 9.234 -3.257 1.00 2.09 C ATOM 1925 SD MET A 130 16.205 9.590 -1.862 1.00 3.01 S ATOM 1926 CE MET A 130 15.030 9.623 -0.509 1.00 3.86 C ATOM 0 H MET A 130 12.822 8.178 -4.007 1.00 0.61 H new ATOM 0 HA MET A 130 12.489 10.872 -4.780 1.00 0.70 H new ATOM 0 HB2 MET A 130 14.501 11.266 -3.451 1.00 0.85 H new ATOM 0 HB3 MET A 130 13.355 10.244 -2.605 1.00 0.85 H new ATOM 0 HG2 MET A 130 14.647 8.262 -3.105 1.00 2.09 H new ATOM 0 HG3 MET A 130 15.712 9.162 -4.167 1.00 2.09 H new ATOM 0 HE1 MET A 130 15.076 10.591 -0.011 1.00 3.86 H new ATOM 0 HE2 MET A 130 14.024 9.462 -0.897 1.00 3.86 H new ATOM 0 HE3 MET A 130 15.274 8.836 0.204 1.00 3.86 H new ATOM 1936 N LYS A 131 14.142 11.384 -6.586 1.00 1.29 N ATOM 1937 CA LYS A 131 14.935 11.603 -7.782 1.00 1.78 C ATOM 1938 C LYS A 131 16.247 12.282 -7.410 1.00 2.07 C ATOM 1939 O LYS A 131 16.285 13.529 -7.382 1.00 2.37 O ATOM 1940 CB LYS A 131 14.162 12.458 -8.795 1.00 2.34 C ATOM 1941 CG LYS A 131 12.716 12.019 -9.007 1.00 2.54 C ATOM 1942 CD LYS A 131 12.613 10.587 -9.515 1.00 3.36 C ATOM 1943 CE LYS A 131 11.158 10.169 -9.691 1.00 3.86 C ATOM 1944 NZ LYS A 131 11.025 8.740 -10.082 1.00 4.40 N ATOM 1945 OXT LYS A 131 17.225 11.565 -7.119 1.00 2.62 O ATOM 0 H LYS A 131 13.582 12.185 -6.294 1.00 1.29 H new ATOM 0 HA LYS A 131 15.149 10.639 -8.244 1.00 1.78 H new ATOM 0 HB2 LYS A 131 14.170 13.495 -8.460 1.00 2.34 H new ATOM 0 HB3 LYS A 131 14.683 12.428 -9.752 1.00 2.34 H new ATOM 0 HG2 LYS A 131 12.170 12.109 -8.068 1.00 2.54 H new ATOM 0 HG3 LYS A 131 12.236 12.690 -9.720 1.00 2.54 H new ATOM 0 HD2 LYS A 131 13.138 10.497 -10.466 1.00 3.36 H new ATOM 0 HD3 LYS A 131 13.106 9.913 -8.814 1.00 3.36 H new ATOM 0 HE2 LYS A 131 10.618 10.341 -8.760 1.00 3.86 H new ATOM 0 HE3 LYS A 131 10.691 10.796 -10.451 1.00 3.86 H new ATOM 0 HZ1 LYS A 131 10.483 8.671 -10.967 1.00 4.40 H new ATOM 0 HZ2 LYS A 131 11.970 8.329 -10.222 1.00 4.40 H new ATOM 0 HZ3 LYS A 131 10.529 8.219 -9.331 1.00 4.40 H new TER 1959 LYS A 131