USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 829 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 69 LYS NZ :NH3+ -114:sc= -1.16! (180deg=-2.94!) USER MOD Set 1.2: A 89 ASN : amide:sc= -3.17! C(o=-4.3!,f=-7.4!) USER MOD Set 2.1: A 37 MET CE :methyl 165:sc= 0 (180deg=-0.132) USER MOD Set 2.2: A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 163:sc= 0.00119 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.64 K(o=-0.64,f=-2.6!) USER MOD Single : A 11 ASN : amide:sc= -5.09! C(o=-5.1!,f=-3.1!) USER MOD Single : A 15 GLN : amide:sc= -0.281 X(o=-0.28,f=-0.056) USER MOD Single : A 20 LYS NZ :NH3+ 153:sc= -0.0857 (180deg=-1.13) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.169 USER MOD Single : A 24 SER OG : rot -81:sc= 0.554 USER MOD Single : A 29 THR OG1 : rot 36:sc= 0.343 USER MOD Single : A 31 SER OG : rot -21:sc= 0.779 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 160:sc= -2.07 (180deg=-3.43!) USER MOD Single : A 44 ASN : amide:sc= -0.155 K(o=-0.15,f=-2.1!) USER MOD Single : A 46 ASN : amide:sc= -0.306 K(o=-0.31,f=-5!) USER MOD Single : A 48 GLN : amide:sc=-0.00978 K(o=-0.0098,f=-0.64) USER MOD Single : A 54 THR OG1 : rot 22:sc= 1.19 USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 61 LYS NZ :NH3+ -145:sc= 0.168 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= -2.43 USER MOD Single : A 71 TYR OH : rot 180:sc= -2.23 USER MOD Single : A 72 ASN : amide:sc= 0.531 K(o=0.53,f=-0.26) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.153 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0807) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.202 -10.706 -9.459 1.00 0.00 N ATOM 2 CA MET A 1 -10.831 -11.507 -8.304 1.00 0.00 C ATOM 3 C MET A 1 -12.002 -11.636 -7.329 1.00 0.00 C ATOM 4 O MET A 1 -13.060 -11.045 -7.541 1.00 0.00 O ATOM 5 CB MET A 1 -9.643 -10.857 -7.593 1.00 0.00 C ATOM 6 CG MET A 1 -8.469 -11.833 -7.484 1.00 0.00 C ATOM 7 SD MET A 1 -7.906 -12.295 -9.114 1.00 0.00 S ATOM 8 CE MET A 1 -6.637 -11.065 -9.364 1.00 0.00 C ATOM 0 H1 MET A 1 -10.343 -10.391 -9.954 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.784 -11.277 -10.105 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.745 -9.876 -9.146 1.00 0.00 H new ATOM 0 HA MET A 1 -10.558 -12.504 -8.648 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.331 -9.966 -8.138 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.944 -10.532 -6.597 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.654 -11.373 -6.925 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.774 -12.721 -6.930 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.178 -11.209 -10.342 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.080 -10.070 -9.314 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.877 -11.163 -8.589 1.00 0.00 H new ATOM 18 N ASP A 2 -11.774 -12.414 -6.280 1.00 0.00 N ATOM 19 CA ASP A 2 -12.797 -12.629 -5.271 1.00 0.00 C ATOM 20 C ASP A 2 -12.285 -12.131 -3.918 1.00 0.00 C ATOM 21 O ASP A 2 -11.410 -12.751 -3.315 1.00 0.00 O ATOM 22 CB ASP A 2 -13.131 -14.116 -5.133 1.00 0.00 C ATOM 23 CG ASP A 2 -12.559 -15.011 -6.232 1.00 0.00 C ATOM 24 OD1 ASP A 2 -11.418 -15.487 -6.139 1.00 0.00 O ATOM 25 OD2 ASP A 2 -13.347 -15.218 -7.232 1.00 0.00 O ATOM 0 H ASP A 2 -10.896 -12.903 -6.108 1.00 0.00 H new ATOM 0 HA ASP A 2 -13.691 -12.086 -5.576 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -12.762 -14.468 -4.170 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -14.215 -14.230 -5.120 1.00 0.00 H new ATOM 31 N ILE A 3 -12.852 -11.016 -3.481 1.00 0.00 N ATOM 32 CA ILE A 3 -12.464 -10.429 -2.210 1.00 0.00 C ATOM 33 C ILE A 3 -13.620 -10.559 -1.217 1.00 0.00 C ATOM 34 O ILE A 3 -14.785 -10.445 -1.598 1.00 0.00 O ATOM 35 CB ILE A 3 -11.984 -8.989 -2.410 1.00 0.00 C ATOM 36 CG1 ILE A 3 -10.505 -8.954 -2.799 1.00 0.00 C ATOM 37 CG2 ILE A 3 -12.271 -8.138 -1.170 1.00 0.00 C ATOM 38 CD1 ILE A 3 -10.048 -7.521 -3.084 1.00 0.00 C ATOM 0 H ILE A 3 -13.577 -10.504 -3.984 1.00 0.00 H new ATOM 0 HA ILE A 3 -11.617 -10.968 -1.785 1.00 0.00 H new ATOM 0 HB ILE A 3 -12.545 -8.553 -3.237 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -9.903 -9.379 -1.995 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -10.342 -9.574 -3.681 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -11.920 -7.120 -1.338 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -13.344 -8.125 -0.978 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -11.753 -8.562 -0.310 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -8.993 -7.523 -3.358 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -10.635 -7.108 -3.904 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -10.190 -6.910 -2.193 1.00 0.00 H new ATOM 50 N SER A 4 -13.260 -10.797 0.035 1.00 0.00 N ATOM 51 CA SER A 4 -14.254 -10.944 1.085 1.00 0.00 C ATOM 52 C SER A 4 -13.902 -10.042 2.269 1.00 0.00 C ATOM 53 O SER A 4 -12.780 -10.080 2.772 1.00 0.00 O ATOM 54 CB SER A 4 -14.361 -12.400 1.542 1.00 0.00 C ATOM 55 OG SER A 4 -15.715 -12.842 1.605 1.00 0.00 O ATOM 0 H SER A 4 -12.293 -10.892 0.347 1.00 0.00 H new ATOM 0 HA SER A 4 -15.222 -10.645 0.683 1.00 0.00 H new ATOM 0 HB2 SER A 4 -13.803 -13.037 0.856 1.00 0.00 H new ATOM 0 HB3 SER A 4 -13.899 -12.507 2.523 1.00 0.00 H new ATOM 0 HG SER A 4 -15.741 -13.777 1.899 1.00 0.00 H new ATOM 61 N ILE A 5 -14.882 -9.250 2.680 1.00 0.00 N ATOM 62 CA ILE A 5 -14.689 -8.339 3.796 1.00 0.00 C ATOM 63 C ILE A 5 -14.787 -9.120 5.109 1.00 0.00 C ATOM 64 O ILE A 5 -15.681 -9.946 5.279 1.00 0.00 O ATOM 65 CB ILE A 5 -15.668 -7.166 3.705 1.00 0.00 C ATOM 66 CG1 ILE A 5 -15.648 -6.543 2.308 1.00 0.00 C ATOM 67 CG2 ILE A 5 -15.387 -6.132 4.798 1.00 0.00 C ATOM 68 CD1 ILE A 5 -14.256 -6.006 1.966 1.00 0.00 C ATOM 0 H ILE A 5 -15.811 -9.220 2.261 1.00 0.00 H new ATOM 0 HA ILE A 5 -13.693 -7.898 3.760 1.00 0.00 H new ATOM 0 HB ILE A 5 -16.675 -7.547 3.873 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -15.946 -7.288 1.570 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -16.376 -5.734 2.256 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -16.096 -5.309 4.711 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -15.492 -6.600 5.777 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -14.372 -5.750 4.685 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -14.270 -5.569 0.968 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -13.971 -5.244 2.692 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -13.534 -6.822 1.995 1.00 0.00 H new ATOM 80 N ILE A 6 -13.853 -8.829 6.003 1.00 0.00 N ATOM 81 CA ILE A 6 -13.821 -9.494 7.295 1.00 0.00 C ATOM 82 C ILE A 6 -14.463 -8.586 8.346 1.00 0.00 C ATOM 83 O ILE A 6 -15.429 -8.974 9.000 1.00 0.00 O ATOM 84 CB ILE A 6 -12.395 -9.924 7.641 1.00 0.00 C ATOM 85 CG1 ILE A 6 -11.807 -10.811 6.542 1.00 0.00 C ATOM 86 CG2 ILE A 6 -12.344 -10.601 9.013 1.00 0.00 C ATOM 87 CD1 ILE A 6 -12.364 -12.233 6.628 1.00 0.00 C ATOM 0 H ILE A 6 -13.113 -8.142 5.858 1.00 0.00 H new ATOM 0 HA ILE A 6 -14.407 -10.413 7.266 1.00 0.00 H new ATOM 0 HB ILE A 6 -11.774 -9.030 7.699 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -12.036 -10.385 5.565 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -10.721 -10.836 6.632 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -11.319 -10.897 9.235 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -12.694 -9.905 9.775 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -12.983 -11.484 9.007 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -11.930 -12.842 5.835 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -12.112 -12.664 7.597 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -13.448 -12.207 6.513 1.00 0.00 H new ATOM 99 N SER A 7 -13.900 -7.394 8.476 1.00 0.00 N ATOM 100 CA SER A 7 -14.404 -6.427 9.436 1.00 0.00 C ATOM 101 C SER A 7 -14.266 -5.010 8.875 1.00 0.00 C ATOM 102 O SER A 7 -13.487 -4.777 7.952 1.00 0.00 O ATOM 103 CB SER A 7 -13.668 -6.543 10.772 1.00 0.00 C ATOM 104 OG SER A 7 -13.638 -7.885 11.250 1.00 0.00 O ATOM 0 H SER A 7 -13.098 -7.075 7.932 1.00 0.00 H new ATOM 0 HA SER A 7 -15.458 -6.639 9.613 1.00 0.00 H new ATOM 0 HB2 SER A 7 -12.648 -6.176 10.657 1.00 0.00 H new ATOM 0 HB3 SER A 7 -14.155 -5.906 11.511 1.00 0.00 H new ATOM 0 HG SER A 7 -13.158 -7.917 12.104 1.00 0.00 H new ATOM 110 N ASP A 8 -15.035 -4.101 9.455 1.00 0.00 N ATOM 111 CA ASP A 8 -15.008 -2.713 9.024 1.00 0.00 C ATOM 112 C ASP A 8 -14.939 -1.804 10.253 1.00 0.00 C ATOM 113 O ASP A 8 -15.966 -1.471 10.843 1.00 0.00 O ATOM 114 CB ASP A 8 -16.273 -2.355 8.242 1.00 0.00 C ATOM 115 CG ASP A 8 -17.579 -2.485 9.029 1.00 0.00 C ATOM 116 OD1 ASP A 8 -17.832 -3.508 9.682 1.00 0.00 O ATOM 117 OD2 ASP A 8 -18.366 -1.466 8.952 1.00 0.00 O ATOM 0 H ASP A 8 -15.681 -4.298 10.220 1.00 0.00 H new ATOM 0 HA ASP A 8 -14.137 -2.575 8.384 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -16.183 -1.329 7.884 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -16.331 -2.996 7.362 1.00 0.00 H new ATOM 123 N ARG A 9 -13.718 -1.429 10.603 1.00 0.00 N ATOM 124 CA ARG A 9 -13.501 -0.563 11.750 1.00 0.00 C ATOM 125 C ARG A 9 -13.273 0.878 11.293 1.00 0.00 C ATOM 126 O ARG A 9 -12.895 1.117 10.148 1.00 0.00 O ATOM 127 CB ARG A 9 -12.295 -1.028 12.570 1.00 0.00 C ATOM 128 CG ARG A 9 -12.739 -1.861 13.774 1.00 0.00 C ATOM 129 CD ARG A 9 -12.401 -1.151 15.086 1.00 0.00 C ATOM 130 NE ARG A 9 -11.824 -2.115 16.050 1.00 0.00 N ATOM 131 CZ ARG A 9 -11.682 -1.872 17.371 1.00 0.00 C ATOM 132 NH1 ARG A 9 -12.078 -0.693 17.897 1.00 0.00 N ATOM 133 NH2 ARG A 9 -11.154 -2.805 18.139 1.00 0.00 N ATOM 0 H ARG A 9 -12.868 -1.709 10.113 1.00 0.00 H new ATOM 0 HA ARG A 9 -14.393 -0.612 12.375 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -11.629 -1.618 11.941 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -11.727 -0.162 12.912 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -13.813 -2.041 13.720 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -12.250 -2.835 13.747 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -11.694 -0.343 14.900 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -13.299 -0.698 15.506 1.00 0.00 H new ATOM 0 HE ARG A 9 -11.514 -3.019 15.694 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -12.488 0.022 17.296 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -11.967 -0.517 18.896 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -10.860 -3.693 17.733 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -11.039 -2.638 19.139 1.00 0.00 H new ATOM 146 N ASN A 10 -13.513 1.802 12.212 1.00 0.00 N ATOM 147 CA ASN A 10 -13.339 3.214 11.918 1.00 0.00 C ATOM 148 C ASN A 10 -12.413 3.838 12.965 1.00 0.00 C ATOM 149 O ASN A 10 -12.614 3.655 14.164 1.00 0.00 O ATOM 150 CB ASN A 10 -14.676 3.956 11.967 1.00 0.00 C ATOM 151 CG ASN A 10 -14.461 5.468 12.054 1.00 0.00 C ATOM 152 OD1 ASN A 10 -13.511 6.018 11.520 1.00 0.00 O ATOM 153 ND2 ASN A 10 -15.392 6.108 12.756 1.00 0.00 N ATOM 0 H ASN A 10 -13.827 1.600 13.161 1.00 0.00 H new ATOM 0 HA ASN A 10 -12.915 3.300 10.917 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -15.260 3.719 11.078 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -15.253 3.617 12.828 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -15.337 7.120 12.873 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -16.161 5.587 13.177 1.00 0.00 H new ATOM 160 N ASN A 11 -11.419 4.562 12.472 1.00 0.00 N ATOM 161 CA ASN A 11 -10.461 5.214 13.350 1.00 0.00 C ATOM 162 C ASN A 11 -10.493 6.723 13.099 1.00 0.00 C ATOM 163 O ASN A 11 -9.774 7.228 12.238 1.00 0.00 O ATOM 164 CB ASN A 11 -9.040 4.719 13.078 1.00 0.00 C ATOM 165 CG ASN A 11 -8.748 3.435 13.857 1.00 0.00 C ATOM 166 OD1 ASN A 11 -7.787 3.335 14.602 1.00 0.00 O ATOM 167 ND2 ASN A 11 -9.629 2.462 13.644 1.00 0.00 N ATOM 0 H ASN A 11 -11.256 4.712 11.476 1.00 0.00 H new ATOM 0 HA ASN A 11 -10.733 4.981 14.380 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -8.912 4.538 12.011 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -8.323 5.490 13.359 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -9.523 1.565 14.118 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -10.411 2.613 13.007 1.00 0.00 H new ATOM 174 N PRO A 12 -11.355 7.419 13.888 1.00 0.00 N ATOM 175 CA PRO A 12 -11.489 8.861 13.760 1.00 0.00 C ATOM 176 C PRO A 12 -10.289 9.579 14.378 1.00 0.00 C ATOM 177 O PRO A 12 -9.809 10.573 13.835 1.00 0.00 O ATOM 178 CB PRO A 12 -12.802 9.195 14.450 1.00 0.00 C ATOM 179 CG PRO A 12 -13.123 8.005 15.337 1.00 0.00 C ATOM 180 CD PRO A 12 -12.221 6.854 14.918 1.00 0.00 C ATOM 0 HA PRO A 12 -11.504 9.193 12.722 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -12.712 10.108 15.039 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -13.594 9.363 13.721 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -12.960 8.255 16.385 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -14.171 7.725 15.235 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -11.641 6.478 15.761 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -12.801 6.016 14.532 1.00 0.00 H new ATOM 188 N LEU A 13 -9.838 9.050 15.507 1.00 0.00 N ATOM 189 CA LEU A 13 -8.703 9.628 16.204 1.00 0.00 C ATOM 190 C LEU A 13 -7.650 10.063 15.183 1.00 0.00 C ATOM 191 O LEU A 13 -7.540 11.245 14.863 1.00 0.00 O ATOM 192 CB LEU A 13 -8.172 8.659 17.261 1.00 0.00 C ATOM 193 CG LEU A 13 -9.118 8.349 18.422 1.00 0.00 C ATOM 194 CD1 LEU A 13 -9.802 6.995 18.227 1.00 0.00 C ATOM 195 CD2 LEU A 13 -8.386 8.432 19.763 1.00 0.00 C ATOM 0 H LEU A 13 -10.239 8.227 15.956 1.00 0.00 H new ATOM 0 HA LEU A 13 -9.006 10.522 16.749 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.914 7.721 16.769 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.249 9.069 17.670 1.00 0.00 H new ATOM 0 HG LEU A 13 -9.902 9.107 18.434 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -10.469 6.800 19.067 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -10.378 7.008 17.302 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.047 6.210 18.173 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.081 8.207 20.572 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.569 7.711 19.777 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.986 9.437 19.897 1.00 0.00 H new ATOM 207 N LEU A 14 -6.901 9.082 14.699 1.00 0.00 N ATOM 208 CA LEU A 14 -5.860 9.347 13.721 1.00 0.00 C ATOM 209 C LEU A 14 -6.500 9.854 12.426 1.00 0.00 C ATOM 210 O LEU A 14 -5.815 10.404 11.565 1.00 0.00 O ATOM 211 CB LEU A 14 -4.977 8.112 13.529 1.00 0.00 C ATOM 212 CG LEU A 14 -4.312 7.561 14.792 1.00 0.00 C ATOM 213 CD1 LEU A 14 -3.782 6.145 14.557 1.00 0.00 C ATOM 214 CD2 LEU A 14 -3.219 8.506 15.293 1.00 0.00 C ATOM 0 H LEU A 14 -6.995 8.102 14.967 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.194 10.133 14.077 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.583 7.321 13.087 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.197 8.356 12.808 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.066 7.498 15.576 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.314 5.776 15.469 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.607 5.489 14.281 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.047 6.161 13.753 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.763 8.091 16.191 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.458 8.624 14.521 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.656 9.478 15.524 1.00 0.00 H new ATOM 226 N GLN A 15 -7.806 9.649 12.330 1.00 0.00 N ATOM 227 CA GLN A 15 -8.545 10.078 11.156 1.00 0.00 C ATOM 228 C GLN A 15 -8.336 9.089 10.007 1.00 0.00 C ATOM 229 O GLN A 15 -8.368 9.474 8.838 1.00 0.00 O ATOM 230 CB GLN A 15 -8.142 11.494 10.740 1.00 0.00 C ATOM 231 CG GLN A 15 -9.375 12.357 10.463 1.00 0.00 C ATOM 232 CD GLN A 15 -9.259 13.717 11.152 1.00 0.00 C ATOM 233 OE1 GLN A 15 -9.393 14.765 10.543 1.00 0.00 O ATOM 234 NE2 GLN A 15 -9.005 13.642 12.456 1.00 0.00 N ATOM 0 H GLN A 15 -8.370 9.192 13.046 1.00 0.00 H new ATOM 0 HA GLN A 15 -9.606 10.097 11.406 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.543 11.951 11.528 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.516 11.451 9.848 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -9.490 12.499 9.388 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -10.270 11.843 10.814 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -8.904 12.731 12.904 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -8.911 14.495 13.007 1.00 0.00 H new ATOM 243 N ARG A 16 -8.127 7.835 10.378 1.00 0.00 N ATOM 244 CA ARG A 16 -7.913 6.789 9.394 1.00 0.00 C ATOM 245 C ARG A 16 -9.056 5.773 9.440 1.00 0.00 C ATOM 246 O ARG A 16 -9.975 5.905 10.248 1.00 0.00 O ATOM 247 CB ARG A 16 -6.587 6.064 9.638 1.00 0.00 C ATOM 248 CG ARG A 16 -5.400 7.002 9.410 1.00 0.00 C ATOM 249 CD ARG A 16 -4.074 6.264 9.604 1.00 0.00 C ATOM 250 NE ARG A 16 -4.164 5.362 10.774 1.00 0.00 N ATOM 251 CZ ARG A 16 -4.590 4.083 10.713 1.00 0.00 C ATOM 252 NH1 ARG A 16 -4.971 3.543 9.535 1.00 0.00 N ATOM 253 NH2 ARG A 16 -4.630 3.368 11.822 1.00 0.00 N ATOM 0 H ARG A 16 -8.101 7.520 11.348 1.00 0.00 H new ATOM 0 HA ARG A 16 -7.881 7.261 8.412 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -6.561 5.679 10.658 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -6.510 5.205 8.971 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -5.447 7.415 8.402 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -5.457 7.842 10.102 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.833 5.690 8.709 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.267 6.982 9.749 1.00 0.00 H new ATOM 0 HE ARG A 16 -3.887 5.730 11.684 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -4.938 4.103 8.683 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -5.292 2.575 9.497 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -4.341 3.784 12.708 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -4.949 2.400 11.793 1.00 0.00 H new ATOM 266 N ARG A 17 -8.964 4.784 8.564 1.00 0.00 N ATOM 267 CA ARG A 17 -9.979 3.747 8.495 1.00 0.00 C ATOM 268 C ARG A 17 -9.326 2.364 8.493 1.00 0.00 C ATOM 269 O ARG A 17 -8.458 2.085 7.667 1.00 0.00 O ATOM 270 CB ARG A 17 -10.839 3.901 7.239 1.00 0.00 C ATOM 271 CG ARG A 17 -12.292 3.515 7.518 1.00 0.00 C ATOM 272 CD ARG A 17 -13.239 4.670 7.187 1.00 0.00 C ATOM 273 NE ARG A 17 -14.295 4.209 6.257 1.00 0.00 N ATOM 274 CZ ARG A 17 -15.290 4.995 5.794 1.00 0.00 C ATOM 275 NH1 ARG A 17 -15.373 6.289 6.170 1.00 0.00 N ATOM 276 NH2 ARG A 17 -16.180 4.479 4.966 1.00 0.00 N ATOM 0 H ARG A 17 -8.201 4.679 7.895 1.00 0.00 H new ATOM 0 HA ARG A 17 -10.617 3.849 9.373 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -10.794 4.932 6.888 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -10.439 3.275 6.441 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -12.560 2.640 6.926 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -12.404 3.237 8.566 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -13.691 5.054 8.102 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -12.681 5.491 6.738 1.00 0.00 H new ATOM 0 HE ARG A 17 -14.269 3.238 5.947 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -14.681 6.680 6.809 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -16.128 6.876 5.815 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -16.109 3.501 4.686 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -16.938 5.059 4.607 1.00 0.00 H new ATOM 289 N GLU A 18 -9.768 1.534 9.427 1.00 0.00 N ATOM 290 CA GLU A 18 -9.237 0.187 9.543 1.00 0.00 C ATOM 291 C GLU A 18 -10.242 -0.829 8.994 1.00 0.00 C ATOM 292 O GLU A 18 -11.215 -1.168 9.667 1.00 0.00 O ATOM 293 CB GLU A 18 -8.868 -0.135 10.992 1.00 0.00 C ATOM 294 CG GLU A 18 -7.895 0.904 11.552 1.00 0.00 C ATOM 295 CD GLU A 18 -7.198 0.380 12.811 1.00 0.00 C ATOM 296 OE1 GLU A 18 -6.973 -0.833 12.935 1.00 0.00 O ATOM 297 OE2 GLU A 18 -6.887 1.283 13.678 1.00 0.00 O ATOM 0 H GLU A 18 -10.488 1.769 10.110 1.00 0.00 H new ATOM 0 HA GLU A 18 -8.325 0.125 8.949 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -9.770 -0.161 11.604 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -8.418 -1.126 11.045 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -7.150 1.154 10.797 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -8.433 1.823 11.785 1.00 0.00 H new ATOM 305 N ILE A 19 -9.973 -1.284 7.780 1.00 0.00 N ATOM 306 CA ILE A 19 -10.841 -2.253 7.135 1.00 0.00 C ATOM 307 C ILE A 19 -10.017 -3.473 6.718 1.00 0.00 C ATOM 308 O ILE A 19 -9.061 -3.349 5.954 1.00 0.00 O ATOM 309 CB ILE A 19 -11.605 -1.604 5.979 1.00 0.00 C ATOM 310 CG1 ILE A 19 -12.490 -0.461 6.481 1.00 0.00 C ATOM 311 CG2 ILE A 19 -12.405 -2.646 5.195 1.00 0.00 C ATOM 312 CD1 ILE A 19 -13.573 -0.115 5.456 1.00 0.00 C ATOM 0 H ILE A 19 -9.166 -0.999 7.226 1.00 0.00 H new ATOM 0 HA ILE A 19 -11.602 -2.604 7.832 1.00 0.00 H new ATOM 0 HB ILE A 19 -10.879 -1.172 5.290 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -12.955 -0.744 7.425 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -11.877 0.418 6.679 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -12.938 -2.157 4.379 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -11.726 -3.395 4.787 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -13.122 -3.129 5.859 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -14.188 0.700 5.837 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -13.104 0.191 4.521 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -14.199 -0.990 5.279 1.00 0.00 H new ATOM 324 N LYS A 20 -10.417 -4.625 7.239 1.00 0.00 N ATOM 325 CA LYS A 20 -9.727 -5.865 6.930 1.00 0.00 C ATOM 326 C LYS A 20 -10.585 -6.698 5.975 1.00 0.00 C ATOM 327 O LYS A 20 -11.813 -6.666 6.052 1.00 0.00 O ATOM 328 CB LYS A 20 -9.348 -6.601 8.217 1.00 0.00 C ATOM 329 CG LYS A 20 -7.970 -7.254 8.089 1.00 0.00 C ATOM 330 CD LYS A 20 -8.093 -8.716 7.657 1.00 0.00 C ATOM 331 CE LYS A 20 -9.003 -9.494 8.611 1.00 0.00 C ATOM 332 NZ LYS A 20 -8.335 -10.733 9.068 1.00 0.00 N ATOM 0 H LYS A 20 -11.210 -4.725 7.873 1.00 0.00 H new ATOM 0 HA LYS A 20 -8.787 -5.661 6.417 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -9.347 -5.902 9.053 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -10.096 -7.362 8.439 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.370 -6.706 7.362 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -7.446 -7.196 9.043 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -8.493 -8.767 6.644 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.105 -9.177 7.634 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.256 -8.872 9.470 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -9.939 -9.742 8.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.706 -11.004 10.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.518 -11.498 8.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.310 -10.570 9.137 1.00 0.00 H new ATOM 345 N PHE A 21 -9.906 -7.423 5.099 1.00 0.00 N ATOM 346 CA PHE A 21 -10.590 -8.261 4.130 1.00 0.00 C ATOM 347 C PHE A 21 -9.666 -9.362 3.607 1.00 0.00 C ATOM 348 O PHE A 21 -8.507 -9.448 4.011 1.00 0.00 O ATOM 349 CB PHE A 21 -10.999 -7.358 2.965 1.00 0.00 C ATOM 350 CG PHE A 21 -9.828 -6.890 2.099 1.00 0.00 C ATOM 351 CD1 PHE A 21 -9.112 -5.792 2.459 1.00 0.00 C ATOM 352 CD2 PHE A 21 -9.503 -7.574 0.970 1.00 0.00 C ATOM 353 CE1 PHE A 21 -8.025 -5.359 1.655 1.00 0.00 C ATOM 354 CE2 PHE A 21 -8.415 -7.141 0.166 1.00 0.00 C ATOM 355 CZ PHE A 21 -7.700 -6.043 0.526 1.00 0.00 C ATOM 0 H PHE A 21 -8.888 -7.447 5.040 1.00 0.00 H new ATOM 0 HA PHE A 21 -11.452 -8.739 4.596 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -11.711 -7.893 2.337 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -11.517 -6.484 3.361 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -9.370 -5.249 3.356 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -10.072 -8.446 0.684 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -7.456 -4.486 1.940 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -8.156 -7.684 -0.731 1.00 0.00 H new ATOM 0 HZ PHE A 21 -6.873 -5.713 -0.085 1.00 0.00 H new ATOM 365 N THR A 22 -10.211 -10.175 2.715 1.00 0.00 N ATOM 366 CA THR A 22 -9.450 -11.266 2.131 1.00 0.00 C ATOM 367 C THR A 22 -9.512 -11.203 0.604 1.00 0.00 C ATOM 368 O THR A 22 -10.390 -10.551 0.041 1.00 0.00 O ATOM 369 CB THR A 22 -9.986 -12.578 2.707 1.00 0.00 C ATOM 370 OG1 THR A 22 -9.135 -12.842 3.819 1.00 0.00 O ATOM 371 CG2 THR A 22 -9.756 -13.766 1.771 1.00 0.00 C ATOM 0 H THR A 22 -11.172 -10.100 2.382 1.00 0.00 H new ATOM 0 HA THR A 22 -8.393 -11.190 2.385 1.00 0.00 H new ATOM 0 HB THR A 22 -11.052 -12.477 2.909 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.413 -13.676 4.253 1.00 0.00 H new ATOM 0 HG21 THR A 22 -10.155 -14.672 2.228 1.00 0.00 H new ATOM 0 HG22 THR A 22 -10.261 -13.585 0.822 1.00 0.00 H new ATOM 0 HG23 THR A 22 -8.687 -13.889 1.595 1.00 0.00 H new ATOM 379 N VAL A 23 -8.569 -11.890 -0.024 1.00 0.00 N ATOM 380 CA VAL A 23 -8.504 -11.920 -1.474 1.00 0.00 C ATOM 381 C VAL A 23 -8.163 -13.338 -1.936 1.00 0.00 C ATOM 382 O VAL A 23 -7.136 -13.891 -1.548 1.00 0.00 O ATOM 383 CB VAL A 23 -7.509 -10.872 -1.977 1.00 0.00 C ATOM 384 CG1 VAL A 23 -6.236 -10.875 -1.129 1.00 0.00 C ATOM 385 CG2 VAL A 23 -7.184 -11.090 -3.456 1.00 0.00 C ATOM 0 H VAL A 23 -7.843 -12.431 0.446 1.00 0.00 H new ATOM 0 HA VAL A 23 -9.472 -11.661 -1.904 1.00 0.00 H new ATOM 0 HB VAL A 23 -7.975 -9.892 -1.878 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.545 -10.121 -1.507 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.488 -10.649 -0.093 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.766 -11.857 -1.182 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -6.475 -10.332 -3.788 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.747 -12.079 -3.590 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.098 -11.014 -4.044 1.00 0.00 H new ATOM 395 N SER A 24 -9.046 -13.887 -2.759 1.00 0.00 N ATOM 396 CA SER A 24 -8.851 -15.230 -3.278 1.00 0.00 C ATOM 397 C SER A 24 -8.600 -15.176 -4.786 1.00 0.00 C ATOM 398 O SER A 24 -9.255 -14.420 -5.502 1.00 0.00 O ATOM 399 CB SER A 24 -10.058 -16.119 -2.972 1.00 0.00 C ATOM 400 OG SER A 24 -10.258 -17.111 -3.974 1.00 0.00 O ATOM 0 H SER A 24 -9.898 -13.426 -3.079 1.00 0.00 H new ATOM 0 HA SER A 24 -7.980 -15.664 -2.786 1.00 0.00 H new ATOM 0 HB2 SER A 24 -9.916 -16.603 -2.006 1.00 0.00 H new ATOM 0 HB3 SER A 24 -10.952 -15.501 -2.890 1.00 0.00 H new ATOM 0 HG SER A 24 -10.723 -16.714 -4.740 1.00 0.00 H new ATOM 406 N PHE A 25 -7.650 -15.990 -5.225 1.00 0.00 N ATOM 407 CA PHE A 25 -7.305 -16.046 -6.634 1.00 0.00 C ATOM 408 C PHE A 25 -6.301 -17.168 -6.909 1.00 0.00 C ATOM 409 O PHE A 25 -5.467 -17.481 -6.061 1.00 0.00 O ATOM 410 CB PHE A 25 -6.661 -14.704 -6.990 1.00 0.00 C ATOM 411 CG PHE A 25 -5.189 -14.593 -6.585 1.00 0.00 C ATOM 412 CD1 PHE A 25 -4.834 -13.828 -5.517 1.00 0.00 C ATOM 413 CD2 PHE A 25 -4.236 -15.258 -7.292 1.00 0.00 C ATOM 414 CE1 PHE A 25 -3.469 -13.725 -5.141 1.00 0.00 C ATOM 415 CE2 PHE A 25 -2.871 -15.155 -6.916 1.00 0.00 C ATOM 416 CZ PHE A 25 -2.516 -14.391 -5.849 1.00 0.00 C ATOM 0 H PHE A 25 -7.109 -16.616 -4.628 1.00 0.00 H new ATOM 0 HA PHE A 25 -8.198 -16.240 -7.228 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -6.744 -14.547 -8.065 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -7.222 -13.904 -6.506 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -5.590 -13.299 -4.956 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -4.518 -15.865 -8.140 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -3.187 -13.118 -4.293 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -2.115 -15.683 -7.477 1.00 0.00 H new ATOM 0 HZ PHE A 25 -1.478 -14.312 -5.563 1.00 0.00 H new ATOM 426 N ASP A 26 -6.415 -17.742 -8.098 1.00 0.00 N ATOM 427 CA ASP A 26 -5.529 -18.823 -8.495 1.00 0.00 C ATOM 428 C ASP A 26 -4.758 -18.409 -9.750 1.00 0.00 C ATOM 429 O ASP A 26 -5.162 -18.733 -10.867 1.00 0.00 O ATOM 430 CB ASP A 26 -6.319 -20.091 -8.822 1.00 0.00 C ATOM 431 CG ASP A 26 -7.678 -19.854 -9.485 1.00 0.00 C ATOM 432 OD1 ASP A 26 -7.757 -19.506 -10.672 1.00 0.00 O ATOM 433 OD2 ASP A 26 -8.698 -20.044 -8.720 1.00 0.00 O ATOM 0 H ASP A 26 -7.107 -17.479 -8.799 1.00 0.00 H new ATOM 0 HA ASP A 26 -4.851 -19.025 -7.666 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -5.716 -20.718 -9.479 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -6.474 -20.652 -7.900 1.00 0.00 H new ATOM 439 N ALA A 27 -3.663 -17.699 -9.527 1.00 0.00 N ATOM 440 CA ALA A 27 -2.832 -17.237 -10.626 1.00 0.00 C ATOM 441 C ALA A 27 -1.563 -16.592 -10.065 1.00 0.00 C ATOM 442 O ALA A 27 -0.524 -17.240 -9.967 1.00 0.00 O ATOM 443 CB ALA A 27 -3.636 -16.277 -11.505 1.00 0.00 C ATOM 0 H ALA A 27 -3.331 -17.432 -8.600 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.525 -18.074 -11.254 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -3.013 -15.930 -12.329 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -4.510 -16.793 -11.903 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.959 -15.423 -10.910 1.00 0.00 H new ATOM 449 N ALA A 28 -1.691 -15.321 -9.714 1.00 0.00 N ATOM 450 CA ALA A 28 -0.568 -14.579 -9.165 1.00 0.00 C ATOM 451 C ALA A 28 -1.046 -13.199 -8.710 1.00 0.00 C ATOM 452 O ALA A 28 -2.055 -12.696 -9.201 1.00 0.00 O ATOM 453 CB ALA A 28 0.547 -14.495 -10.209 1.00 0.00 C ATOM 0 H ALA A 28 -2.555 -14.786 -9.799 1.00 0.00 H new ATOM 0 HA ALA A 28 -0.161 -15.090 -8.293 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.389 -13.939 -9.798 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.872 -15.501 -10.476 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.175 -13.986 -11.098 1.00 0.00 H new ATOM 459 N THR A 29 -0.299 -12.627 -7.777 1.00 0.00 N ATOM 460 CA THR A 29 -0.634 -11.315 -7.251 1.00 0.00 C ATOM 461 C THR A 29 -0.361 -10.235 -8.298 1.00 0.00 C ATOM 462 O THR A 29 0.739 -10.158 -8.844 1.00 0.00 O ATOM 463 CB THR A 29 0.147 -11.113 -5.951 1.00 0.00 C ATOM 464 OG1 THR A 29 -0.728 -11.602 -4.939 1.00 0.00 O ATOM 465 CG2 THR A 29 0.332 -9.634 -5.602 1.00 0.00 C ATOM 0 H THR A 29 0.537 -13.048 -7.372 1.00 0.00 H new ATOM 0 HA THR A 29 -1.697 -11.240 -7.023 1.00 0.00 H new ATOM 0 HB THR A 29 1.123 -11.590 -6.037 1.00 0.00 H new ATOM 0 HG1 THR A 29 -1.226 -12.374 -5.282 1.00 0.00 H new ATOM 0 HG21 THR A 29 0.892 -9.547 -4.671 1.00 0.00 H new ATOM 0 HG22 THR A 29 0.880 -9.137 -6.403 1.00 0.00 H new ATOM 0 HG23 THR A 29 -0.644 -9.163 -5.483 1.00 0.00 H new ATOM 473 N PRO A 30 -1.408 -9.404 -8.555 1.00 0.00 N ATOM 474 CA PRO A 30 -1.291 -8.332 -9.527 1.00 0.00 C ATOM 475 C PRO A 30 -0.463 -7.172 -8.968 1.00 0.00 C ATOM 476 O PRO A 30 0.757 -7.147 -9.119 1.00 0.00 O ATOM 477 CB PRO A 30 -2.723 -7.937 -9.852 1.00 0.00 C ATOM 478 CG PRO A 30 -3.572 -8.478 -8.712 1.00 0.00 C ATOM 479 CD PRO A 30 -2.724 -9.466 -7.927 1.00 0.00 C ATOM 0 HA PRO A 30 -0.762 -8.639 -10.429 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -2.821 -6.854 -9.933 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -3.037 -8.358 -10.807 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.907 -7.666 -8.067 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -4.466 -8.966 -9.100 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -2.673 -9.194 -6.873 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.140 -10.472 -7.977 1.00 0.00 H new ATOM 487 N SER A 31 -1.162 -6.241 -8.335 1.00 0.00 N ATOM 488 CA SER A 31 -0.507 -5.082 -7.753 1.00 0.00 C ATOM 489 C SER A 31 -1.414 -4.443 -6.699 1.00 0.00 C ATOM 490 O SER A 31 -2.616 -4.696 -6.675 1.00 0.00 O ATOM 491 CB SER A 31 -0.139 -4.059 -8.828 1.00 0.00 C ATOM 492 OG SER A 31 0.661 -4.631 -9.859 1.00 0.00 O ATOM 0 H SER A 31 -2.174 -6.266 -8.213 1.00 0.00 H new ATOM 0 HA SER A 31 0.415 -5.414 -7.276 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.050 -3.647 -9.263 1.00 0.00 H new ATOM 0 HB3 SER A 31 0.399 -3.229 -8.370 1.00 0.00 H new ATOM 0 HG SER A 31 1.089 -5.447 -9.526 1.00 0.00 H new ATOM 498 N ILE A 32 -0.801 -3.626 -5.855 1.00 0.00 N ATOM 499 CA ILE A 32 -1.539 -2.948 -4.802 1.00 0.00 C ATOM 500 C ILE A 32 -2.619 -2.066 -5.428 1.00 0.00 C ATOM 501 O ILE A 32 -3.795 -2.178 -5.084 1.00 0.00 O ATOM 502 CB ILE A 32 -0.582 -2.187 -3.881 1.00 0.00 C ATOM 503 CG1 ILE A 32 0.669 -3.018 -3.585 1.00 0.00 C ATOM 504 CG2 ILE A 32 -1.291 -1.741 -2.601 1.00 0.00 C ATOM 505 CD1 ILE A 32 1.360 -2.532 -2.308 1.00 0.00 C ATOM 0 H ILE A 32 0.197 -3.418 -5.879 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.048 -3.673 -4.167 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.255 -1.285 -4.398 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.396 -4.068 -3.478 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.361 -2.952 -4.425 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.589 -1.203 -1.965 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -2.125 -1.087 -2.856 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.666 -2.615 -2.069 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.246 -3.139 -2.120 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.653 -1.489 -2.427 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.673 -2.622 -1.466 1.00 0.00 H new ATOM 517 N LYS A 33 -2.184 -1.207 -6.339 1.00 0.00 N ATOM 518 CA LYS A 33 -3.099 -0.306 -7.017 1.00 0.00 C ATOM 519 C LYS A 33 -4.184 -1.123 -7.720 1.00 0.00 C ATOM 520 O LYS A 33 -5.373 -0.840 -7.573 1.00 0.00 O ATOM 521 CB LYS A 33 -2.333 0.633 -7.951 1.00 0.00 C ATOM 522 CG LYS A 33 -3.294 1.516 -8.751 1.00 0.00 C ATOM 523 CD LYS A 33 -3.044 1.379 -10.253 1.00 0.00 C ATOM 524 CE LYS A 33 -4.361 1.237 -11.019 1.00 0.00 C ATOM 525 NZ LYS A 33 -4.469 2.281 -12.062 1.00 0.00 N ATOM 0 H LYS A 33 -1.209 -1.117 -6.623 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.602 0.340 -6.297 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.658 1.260 -7.368 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.716 0.049 -8.634 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.323 1.238 -8.523 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.171 2.557 -8.452 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.501 2.252 -10.616 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -2.414 0.510 -10.442 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.417 0.250 -11.477 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.201 1.316 -10.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.368 2.170 -12.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.437 3.221 -11.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.678 2.187 -12.731 1.00 0.00 H new ATOM 538 N ASP A 34 -3.738 -2.119 -8.469 1.00 0.00 N ATOM 539 CA ASP A 34 -4.656 -2.980 -9.196 1.00 0.00 C ATOM 540 C ASP A 34 -5.637 -3.619 -8.210 1.00 0.00 C ATOM 541 O ASP A 34 -6.802 -3.835 -8.541 1.00 0.00 O ATOM 542 CB ASP A 34 -3.908 -4.105 -9.914 1.00 0.00 C ATOM 543 CG ASP A 34 -3.533 -3.807 -11.367 1.00 0.00 C ATOM 544 OD1 ASP A 34 -4.403 -3.529 -12.207 1.00 0.00 O ATOM 545 OD2 ASP A 34 -2.271 -3.871 -11.628 1.00 0.00 O ATOM 0 H ASP A 34 -2.752 -2.350 -8.589 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.179 -2.369 -9.932 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -2.997 -4.328 -9.358 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -4.524 -5.004 -9.891 1.00 0.00 H new ATOM 551 N VAL A 35 -5.130 -3.903 -7.020 1.00 0.00 N ATOM 552 CA VAL A 35 -5.946 -4.512 -5.985 1.00 0.00 C ATOM 553 C VAL A 35 -6.834 -3.442 -5.345 1.00 0.00 C ATOM 554 O VAL A 35 -7.963 -3.725 -4.945 1.00 0.00 O ATOM 555 CB VAL A 35 -5.055 -5.233 -4.972 1.00 0.00 C ATOM 556 CG1 VAL A 35 -5.758 -5.362 -3.618 1.00 0.00 C ATOM 557 CG2 VAL A 35 -4.623 -6.603 -5.498 1.00 0.00 C ATOM 0 H VAL A 35 -4.163 -3.722 -6.750 1.00 0.00 H new ATOM 0 HA VAL A 35 -6.605 -5.267 -6.414 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.157 -4.632 -4.828 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.103 -5.878 -2.916 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.992 -4.369 -3.233 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.680 -5.931 -3.739 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.991 -7.094 -4.758 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.505 -7.216 -5.685 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -4.065 -6.477 -6.426 1.00 0.00 H new ATOM 567 N LYS A 36 -6.291 -2.237 -5.269 1.00 0.00 N ATOM 568 CA LYS A 36 -7.019 -1.123 -4.685 1.00 0.00 C ATOM 569 C LYS A 36 -8.221 -0.784 -5.570 1.00 0.00 C ATOM 570 O LYS A 36 -9.231 -0.279 -5.084 1.00 0.00 O ATOM 571 CB LYS A 36 -6.082 0.062 -4.441 1.00 0.00 C ATOM 572 CG LYS A 36 -6.332 1.176 -5.459 1.00 0.00 C ATOM 573 CD LYS A 36 -5.092 2.057 -5.623 1.00 0.00 C ATOM 574 CE LYS A 36 -5.388 3.502 -5.215 1.00 0.00 C ATOM 575 NZ LYS A 36 -4.523 4.440 -5.964 1.00 0.00 N ATOM 0 H LYS A 36 -5.355 -2.007 -5.602 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.411 -1.397 -3.705 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.231 0.446 -3.432 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.046 -0.270 -4.506 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.603 0.741 -6.421 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.176 1.786 -5.136 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.278 1.663 -5.014 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.757 2.030 -6.660 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -6.436 3.733 -5.407 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.225 3.624 -4.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.737 5.416 -5.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.525 4.230 -5.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.698 4.335 -6.984 1.00 0.00 H new ATOM 588 N MET A 37 -8.071 -1.078 -6.852 1.00 0.00 N ATOM 589 CA MET A 37 -9.131 -0.812 -7.810 1.00 0.00 C ATOM 590 C MET A 37 -10.455 -1.424 -7.347 1.00 0.00 C ATOM 591 O MET A 37 -11.411 -0.704 -7.064 1.00 0.00 O ATOM 592 CB MET A 37 -8.748 -1.394 -9.172 1.00 0.00 C ATOM 593 CG MET A 37 -7.647 -0.562 -9.833 1.00 0.00 C ATOM 594 SD MET A 37 -8.254 0.156 -11.351 1.00 0.00 S ATOM 595 CE MET A 37 -9.474 1.282 -10.695 1.00 0.00 C ATOM 0 H MET A 37 -7.231 -1.498 -7.251 1.00 0.00 H new ATOM 0 HA MET A 37 -9.259 0.267 -7.890 1.00 0.00 H new ATOM 0 HB2 MET A 37 -8.408 -2.422 -9.050 1.00 0.00 H new ATOM 0 HB3 MET A 37 -9.625 -1.423 -9.819 1.00 0.00 H new ATOM 0 HG2 MET A 37 -7.318 0.225 -9.155 1.00 0.00 H new ATOM 0 HG3 MET A 37 -6.780 -1.189 -10.039 1.00 0.00 H new ATOM 0 HE1 MET A 37 -9.761 1.997 -11.466 1.00 0.00 H new ATOM 0 HE2 MET A 37 -10.352 0.721 -10.375 1.00 0.00 H new ATOM 0 HE3 MET A 37 -9.055 1.816 -9.843 1.00 0.00 H new ATOM 605 N LYS A 38 -10.468 -2.747 -7.284 1.00 0.00 N ATOM 606 CA LYS A 38 -11.658 -3.465 -6.860 1.00 0.00 C ATOM 607 C LYS A 38 -11.998 -3.074 -5.420 1.00 0.00 C ATOM 608 O LYS A 38 -13.170 -2.960 -5.064 1.00 0.00 O ATOM 609 CB LYS A 38 -11.477 -4.971 -7.062 1.00 0.00 C ATOM 610 CG LYS A 38 -10.363 -5.514 -6.164 1.00 0.00 C ATOM 611 CD LYS A 38 -9.054 -5.662 -6.943 1.00 0.00 C ATOM 612 CE LYS A 38 -8.279 -6.898 -6.482 1.00 0.00 C ATOM 613 NZ LYS A 38 -9.162 -8.085 -6.459 1.00 0.00 N ATOM 0 H LYS A 38 -9.673 -3.341 -7.520 1.00 0.00 H new ATOM 0 HA LYS A 38 -12.512 -3.185 -7.477 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.412 -5.486 -6.840 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.240 -5.176 -8.106 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.213 -4.843 -5.318 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.659 -6.480 -5.756 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -9.268 -5.739 -8.009 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -8.441 -4.771 -6.804 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.437 -7.077 -7.151 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -7.866 -6.726 -5.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -8.583 -8.949 -6.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.736 -8.074 -5.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.789 -8.067 -7.289 1.00 0.00 H new ATOM 626 N LEU A 39 -10.952 -2.881 -4.631 1.00 0.00 N ATOM 627 CA LEU A 39 -11.125 -2.506 -3.237 1.00 0.00 C ATOM 628 C LEU A 39 -11.981 -1.241 -3.157 1.00 0.00 C ATOM 629 O LEU A 39 -12.799 -1.097 -2.249 1.00 0.00 O ATOM 630 CB LEU A 39 -9.767 -2.373 -2.546 1.00 0.00 C ATOM 631 CG LEU A 39 -9.044 -3.685 -2.230 1.00 0.00 C ATOM 632 CD1 LEU A 39 -7.554 -3.443 -1.979 1.00 0.00 C ATOM 633 CD2 LEU A 39 -9.711 -4.412 -1.062 1.00 0.00 C ATOM 0 H LEU A 39 -9.981 -2.977 -4.930 1.00 0.00 H new ATOM 0 HA LEU A 39 -11.658 -3.288 -2.695 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -9.118 -1.766 -3.178 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -9.908 -1.825 -1.614 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.123 -4.336 -3.101 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -7.064 -4.391 -1.757 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.103 -3.000 -2.867 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.433 -2.765 -1.134 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.177 -5.340 -0.859 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.685 -3.777 -0.176 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.747 -4.637 -1.317 1.00 0.00 H new ATOM 645 N VAL A 40 -11.765 -0.356 -4.119 1.00 0.00 N ATOM 646 CA VAL A 40 -12.507 0.892 -4.169 1.00 0.00 C ATOM 647 C VAL A 40 -13.991 0.590 -4.387 1.00 0.00 C ATOM 648 O VAL A 40 -14.853 1.207 -3.763 1.00 0.00 O ATOM 649 CB VAL A 40 -11.920 1.808 -5.244 1.00 0.00 C ATOM 650 CG1 VAL A 40 -12.788 3.053 -5.439 1.00 0.00 C ATOM 651 CG2 VAL A 40 -10.478 2.194 -4.908 1.00 0.00 C ATOM 0 H VAL A 40 -11.086 -0.479 -4.870 1.00 0.00 H new ATOM 0 HA VAL A 40 -12.419 1.426 -3.223 1.00 0.00 H new ATOM 0 HB VAL A 40 -11.910 1.256 -6.184 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -12.348 3.687 -6.209 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -13.790 2.753 -5.745 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -12.845 3.607 -4.502 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.084 2.845 -5.688 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -10.455 2.718 -3.952 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -9.866 1.294 -4.844 1.00 0.00 H new ATOM 661 N ALA A 41 -14.245 -0.360 -5.276 1.00 0.00 N ATOM 662 CA ALA A 41 -15.609 -0.753 -5.584 1.00 0.00 C ATOM 663 C ALA A 41 -16.171 -1.582 -4.428 1.00 0.00 C ATOM 664 O ALA A 41 -17.378 -1.592 -4.196 1.00 0.00 O ATOM 665 CB ALA A 41 -15.635 -1.510 -6.913 1.00 0.00 C ATOM 0 H ALA A 41 -13.528 -0.869 -5.793 1.00 0.00 H new ATOM 0 HA ALA A 41 -16.245 0.125 -5.697 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -16.659 -1.805 -7.144 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -15.255 -0.866 -7.706 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -15.010 -2.400 -6.837 1.00 0.00 H new ATOM 671 N VAL A 42 -15.267 -2.258 -3.734 1.00 0.00 N ATOM 672 CA VAL A 42 -15.657 -3.089 -2.608 1.00 0.00 C ATOM 673 C VAL A 42 -15.957 -2.197 -1.401 1.00 0.00 C ATOM 674 O VAL A 42 -17.023 -2.302 -0.796 1.00 0.00 O ATOM 675 CB VAL A 42 -14.573 -4.131 -2.326 1.00 0.00 C ATOM 676 CG1 VAL A 42 -14.796 -4.801 -0.969 1.00 0.00 C ATOM 677 CG2 VAL A 42 -14.509 -5.172 -3.447 1.00 0.00 C ATOM 0 H VAL A 42 -14.266 -2.247 -3.930 1.00 0.00 H new ATOM 0 HA VAL A 42 -16.568 -3.641 -2.839 1.00 0.00 H new ATOM 0 HB VAL A 42 -13.613 -3.615 -2.291 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -14.012 -5.537 -0.793 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -14.769 -4.047 -0.182 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -15.767 -5.297 -0.963 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -13.731 -5.901 -3.222 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -15.470 -5.680 -3.527 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -14.281 -4.677 -4.391 1.00 0.00 H new ATOM 687 N LEU A 43 -14.996 -1.341 -1.086 1.00 0.00 N ATOM 688 CA LEU A 43 -15.144 -0.431 0.038 1.00 0.00 C ATOM 689 C LEU A 43 -16.138 0.672 -0.331 1.00 0.00 C ATOM 690 O LEU A 43 -16.929 1.104 0.505 1.00 0.00 O ATOM 691 CB LEU A 43 -13.779 0.096 0.484 1.00 0.00 C ATOM 692 CG LEU A 43 -12.743 -0.964 0.866 1.00 0.00 C ATOM 693 CD1 LEU A 43 -11.553 -0.331 1.590 1.00 0.00 C ATOM 694 CD2 LEU A 43 -13.383 -2.086 1.685 1.00 0.00 C ATOM 0 H LEU A 43 -14.112 -1.258 -1.589 1.00 0.00 H new ATOM 0 HA LEU A 43 -15.555 -0.955 0.901 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -13.367 0.706 -0.320 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -13.928 0.755 1.339 1.00 0.00 H new ATOM 0 HG LEU A 43 -12.360 -1.414 -0.050 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -10.832 -1.106 1.850 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -11.079 0.402 0.938 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.900 0.162 2.498 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -12.625 -2.826 1.943 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -13.811 -1.672 2.598 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -14.169 -2.562 1.099 1.00 0.00 H new ATOM 706 N ASN A 44 -16.065 1.095 -1.585 1.00 0.00 N ATOM 707 CA ASN A 44 -16.949 2.139 -2.075 1.00 0.00 C ATOM 708 C ASN A 44 -16.560 3.473 -1.433 1.00 0.00 C ATOM 709 O ASN A 44 -17.386 4.122 -0.793 1.00 0.00 O ATOM 710 CB ASN A 44 -18.405 1.845 -1.709 1.00 0.00 C ATOM 711 CG ASN A 44 -19.359 2.395 -2.771 1.00 0.00 C ATOM 712 OD1 ASN A 44 -18.953 2.927 -3.792 1.00 0.00 O ATOM 713 ND2 ASN A 44 -20.646 2.238 -2.476 1.00 0.00 N ATOM 0 H ASN A 44 -15.407 0.734 -2.276 1.00 0.00 H new ATOM 0 HA ASN A 44 -16.852 2.182 -3.160 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -18.548 0.769 -1.608 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -18.637 2.289 -0.741 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -21.362 2.572 -3.122 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -20.918 1.784 -1.604 1.00 0.00 H new ATOM 720 N ALA A 45 -15.302 3.842 -1.627 1.00 0.00 N ATOM 721 CA ALA A 45 -14.794 5.086 -1.075 1.00 0.00 C ATOM 722 C ALA A 45 -13.793 5.702 -2.054 1.00 0.00 C ATOM 723 O ALA A 45 -13.664 5.242 -3.188 1.00 0.00 O ATOM 724 CB ALA A 45 -14.178 4.821 0.300 1.00 0.00 C ATOM 0 H ALA A 45 -14.620 3.301 -2.159 1.00 0.00 H new ATOM 0 HA ALA A 45 -15.603 5.803 -0.936 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -13.797 5.755 0.714 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -14.938 4.412 0.966 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -13.360 4.107 0.201 1.00 0.00 H new ATOM 730 N ASN A 46 -13.109 6.733 -1.582 1.00 0.00 N ATOM 731 CA ASN A 46 -12.123 7.417 -2.401 1.00 0.00 C ATOM 732 C ASN A 46 -11.010 6.437 -2.777 1.00 0.00 C ATOM 733 O ASN A 46 -10.607 5.607 -1.962 1.00 0.00 O ATOM 734 CB ASN A 46 -11.487 8.583 -1.641 1.00 0.00 C ATOM 735 CG ASN A 46 -11.003 9.667 -2.606 1.00 0.00 C ATOM 736 OD1 ASN A 46 -10.877 9.459 -3.801 1.00 0.00 O ATOM 737 ND2 ASN A 46 -10.740 10.833 -2.022 1.00 0.00 N ATOM 0 H ASN A 46 -13.218 7.112 -0.641 1.00 0.00 H new ATOM 0 HA ASN A 46 -12.629 7.798 -3.288 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -12.212 9.007 -0.946 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -10.649 8.220 -1.046 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -10.411 11.621 -2.581 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -10.867 10.939 -1.016 1.00 0.00 H new ATOM 744 N LYS A 47 -10.546 6.562 -4.011 1.00 0.00 N ATOM 745 CA LYS A 47 -9.488 5.697 -4.505 1.00 0.00 C ATOM 746 C LYS A 47 -8.164 6.464 -4.500 1.00 0.00 C ATOM 747 O LYS A 47 -7.093 5.860 -4.482 1.00 0.00 O ATOM 748 CB LYS A 47 -9.861 5.122 -5.874 1.00 0.00 C ATOM 749 CG LYS A 47 -9.856 6.214 -6.946 1.00 0.00 C ATOM 750 CD LYS A 47 -10.044 5.613 -8.341 1.00 0.00 C ATOM 751 CE LYS A 47 -8.701 5.466 -9.060 1.00 0.00 C ATOM 752 NZ LYS A 47 -8.911 5.130 -10.486 1.00 0.00 N ATOM 0 H LYS A 47 -10.883 7.250 -4.684 1.00 0.00 H new ATOM 0 HA LYS A 47 -9.361 4.837 -3.848 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -9.157 4.336 -6.147 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -10.848 4.662 -5.823 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -10.652 6.930 -6.744 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -8.915 6.763 -6.906 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -10.525 4.639 -8.259 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -10.707 6.248 -8.928 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -8.135 6.394 -8.978 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -8.108 4.687 -8.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -7.990 5.034 -10.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -9.433 4.233 -10.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -9.458 5.887 -10.944 1.00 0.00 H new ATOM 765 N GLN A 48 -8.281 7.784 -4.517 1.00 0.00 N ATOM 766 CA GLN A 48 -7.107 8.640 -4.516 1.00 0.00 C ATOM 767 C GLN A 48 -6.378 8.537 -3.173 1.00 0.00 C ATOM 768 O GLN A 48 -5.171 8.306 -3.135 1.00 0.00 O ATOM 769 CB GLN A 48 -7.485 10.090 -4.825 1.00 0.00 C ATOM 770 CG GLN A 48 -7.795 10.270 -6.312 1.00 0.00 C ATOM 771 CD GLN A 48 -7.688 11.741 -6.720 1.00 0.00 C ATOM 772 OE1 GLN A 48 -7.619 12.637 -5.896 1.00 0.00 O ATOM 773 NE2 GLN A 48 -7.676 11.937 -8.036 1.00 0.00 N ATOM 0 H GLN A 48 -9.171 8.282 -4.532 1.00 0.00 H new ATOM 0 HA GLN A 48 -6.432 8.301 -5.302 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -8.353 10.378 -4.231 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -6.668 10.752 -4.537 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -7.103 9.673 -6.906 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -8.799 9.902 -6.525 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -7.737 11.141 -8.671 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -7.606 12.883 -8.410 1.00 0.00 H new ATOM 782 N VAL A 49 -7.143 8.714 -2.106 1.00 0.00 N ATOM 783 CA VAL A 49 -6.586 8.644 -0.766 1.00 0.00 C ATOM 784 C VAL A 49 -6.884 7.270 -0.165 1.00 0.00 C ATOM 785 O VAL A 49 -7.353 7.173 0.968 1.00 0.00 O ATOM 786 CB VAL A 49 -7.120 9.799 0.084 1.00 0.00 C ATOM 787 CG1 VAL A 49 -6.892 11.143 -0.610 1.00 0.00 C ATOM 788 CG2 VAL A 49 -8.601 9.596 0.413 1.00 0.00 C ATOM 0 H VAL A 49 -8.144 8.906 -2.142 1.00 0.00 H new ATOM 0 HA VAL A 49 -5.502 8.756 -0.797 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.565 9.809 1.022 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -7.281 11.946 0.016 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.824 11.293 -0.771 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -7.408 11.149 -1.570 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -8.957 10.430 1.018 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -9.176 9.547 -0.512 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -8.726 8.666 0.968 1.00 0.00 H new ATOM 798 N LEU A 50 -6.602 6.241 -0.950 1.00 0.00 N ATOM 799 CA LEU A 50 -6.834 4.876 -0.509 1.00 0.00 C ATOM 800 C LEU A 50 -5.631 4.011 -0.888 1.00 0.00 C ATOM 801 O LEU A 50 -5.133 4.090 -2.010 1.00 0.00 O ATOM 802 CB LEU A 50 -8.164 4.355 -1.059 1.00 0.00 C ATOM 803 CG LEU A 50 -8.387 2.845 -0.955 1.00 0.00 C ATOM 804 CD1 LEU A 50 -9.753 2.533 -0.342 1.00 0.00 C ATOM 805 CD2 LEU A 50 -8.200 2.170 -2.315 1.00 0.00 C ATOM 0 H LEU A 50 -6.215 6.325 -1.890 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.926 4.836 0.576 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -8.975 4.859 -0.533 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -8.238 4.642 -2.108 1.00 0.00 H new ATOM 0 HG LEU A 50 -7.633 2.433 -0.284 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -9.886 1.453 -0.280 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -9.810 2.964 0.658 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -10.538 2.960 -0.966 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -8.364 1.097 -2.214 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -8.916 2.581 -3.027 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.187 2.350 -2.674 1.00 0.00 H new ATOM 817 N VAL A 51 -5.199 3.204 0.070 1.00 0.00 N ATOM 818 CA VAL A 51 -4.062 2.324 -0.148 1.00 0.00 C ATOM 819 C VAL A 51 -4.177 1.112 0.778 1.00 0.00 C ATOM 820 O VAL A 51 -5.075 1.049 1.616 1.00 0.00 O ATOM 821 CB VAL A 51 -2.757 3.099 0.038 1.00 0.00 C ATOM 822 CG1 VAL A 51 -1.667 2.570 -0.897 1.00 0.00 C ATOM 823 CG2 VAL A 51 -2.975 4.599 -0.168 1.00 0.00 C ATOM 0 H VAL A 51 -5.615 3.141 0.999 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.058 1.951 -1.172 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.421 2.947 1.064 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.749 3.138 -0.745 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.482 1.518 -0.682 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.992 2.677 -1.932 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.031 5.126 -0.030 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.346 4.778 -1.177 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.704 4.964 0.556 1.00 0.00 H new ATOM 833 N VAL A 52 -3.252 0.180 0.597 1.00 0.00 N ATOM 834 CA VAL A 52 -3.237 -1.027 1.406 1.00 0.00 C ATOM 835 C VAL A 52 -2.089 -0.945 2.413 1.00 0.00 C ATOM 836 O VAL A 52 -1.114 -0.229 2.192 1.00 0.00 O ATOM 837 CB VAL A 52 -3.156 -2.261 0.504 1.00 0.00 C ATOM 838 CG1 VAL A 52 -2.403 -3.397 1.198 1.00 0.00 C ATOM 839 CG2 VAL A 52 -4.550 -2.713 0.068 1.00 0.00 C ATOM 0 H VAL A 52 -2.508 0.237 -0.098 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.162 -1.118 1.975 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.598 -1.987 -0.391 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.359 -4.262 0.536 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.391 -3.071 1.436 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.922 -3.669 2.117 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.464 -3.591 -0.572 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.144 -2.962 0.948 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.037 -1.909 -0.483 1.00 0.00 H new ATOM 849 N ASP A 53 -2.242 -1.691 3.499 1.00 0.00 N ATOM 850 CA ASP A 53 -1.230 -1.711 4.541 1.00 0.00 C ATOM 851 C ASP A 53 -0.315 -2.920 4.333 1.00 0.00 C ATOM 852 O ASP A 53 0.898 -2.768 4.198 1.00 0.00 O ATOM 853 CB ASP A 53 -1.869 -1.835 5.926 1.00 0.00 C ATOM 854 CG ASP A 53 -1.691 -0.613 6.830 1.00 0.00 C ATOM 855 OD1 ASP A 53 -1.462 -0.743 8.042 1.00 0.00 O ATOM 856 OD2 ASP A 53 -1.799 0.527 6.235 1.00 0.00 O ATOM 0 H ASP A 53 -3.051 -2.285 3.679 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.668 -0.779 4.485 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.935 -2.025 5.802 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.446 -2.705 6.428 1.00 0.00 H new ATOM 862 N THR A 54 -0.932 -4.092 4.313 1.00 0.00 N ATOM 863 CA THR A 54 -0.189 -5.327 4.124 1.00 0.00 C ATOM 864 C THR A 54 -1.135 -6.465 3.737 1.00 0.00 C ATOM 865 O THR A 54 -2.345 -6.366 3.935 1.00 0.00 O ATOM 866 CB THR A 54 0.603 -5.602 5.404 1.00 0.00 C ATOM 867 OG1 THR A 54 1.850 -4.947 5.188 1.00 0.00 O ATOM 868 CG2 THR A 54 0.979 -7.078 5.554 1.00 0.00 C ATOM 0 H THR A 54 -1.939 -4.213 4.425 1.00 0.00 H new ATOM 0 HA THR A 54 0.518 -5.241 3.299 1.00 0.00 H new ATOM 0 HB THR A 54 0.018 -5.287 6.268 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.741 -4.253 4.504 1.00 0.00 H new ATOM 0 HG21 THR A 54 1.540 -7.219 6.478 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.073 -7.683 5.584 1.00 0.00 H new ATOM 0 HG23 THR A 54 1.593 -7.385 4.707 1.00 0.00 H new ATOM 876 N LEU A 55 -0.547 -7.520 3.192 1.00 0.00 N ATOM 877 CA LEU A 55 -1.322 -8.677 2.776 1.00 0.00 C ATOM 878 C LEU A 55 -0.484 -9.942 2.966 1.00 0.00 C ATOM 879 O LEU A 55 0.705 -9.864 3.270 1.00 0.00 O ATOM 880 CB LEU A 55 -1.839 -8.489 1.348 1.00 0.00 C ATOM 881 CG LEU A 55 -3.125 -9.240 0.996 1.00 0.00 C ATOM 882 CD1 LEU A 55 -4.205 -8.275 0.504 1.00 0.00 C ATOM 883 CD2 LEU A 55 -2.851 -10.355 -0.014 1.00 0.00 C ATOM 0 H LEU A 55 0.457 -7.598 3.029 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.209 -8.786 3.400 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.006 -7.425 1.180 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.058 -8.802 0.656 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.503 -9.713 1.902 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.109 -8.834 0.260 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.427 -7.548 1.286 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.850 -7.754 -0.385 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.782 -10.872 -0.246 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.437 -9.926 -0.926 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.139 -11.063 0.410 1.00 0.00 H new ATOM 895 N ASP A 56 -1.138 -11.080 2.779 1.00 0.00 N ATOM 896 CA ASP A 56 -0.468 -12.361 2.926 1.00 0.00 C ATOM 897 C ASP A 56 -1.235 -13.425 2.139 1.00 0.00 C ATOM 898 O ASP A 56 -2.437 -13.598 2.331 1.00 0.00 O ATOM 899 CB ASP A 56 -0.424 -12.795 4.392 1.00 0.00 C ATOM 900 CG ASP A 56 0.970 -12.811 5.021 1.00 0.00 C ATOM 901 OD1 ASP A 56 1.506 -13.877 5.360 1.00 0.00 O ATOM 902 OD2 ASP A 56 1.519 -11.652 5.161 1.00 0.00 O ATOM 0 H ASP A 56 -2.125 -11.141 2.527 1.00 0.00 H new ATOM 0 HA ASP A 56 0.550 -12.254 2.552 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.060 -12.126 4.972 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.854 -13.793 4.473 1.00 0.00 H new ATOM 908 N GLN A 57 -0.507 -14.112 1.271 1.00 0.00 N ATOM 909 CA GLN A 57 -1.104 -15.156 0.455 1.00 0.00 C ATOM 910 C GLN A 57 -1.018 -16.506 1.172 1.00 0.00 C ATOM 911 O GLN A 57 0.056 -16.907 1.618 1.00 0.00 O ATOM 912 CB GLN A 57 -0.440 -15.223 -0.921 1.00 0.00 C ATOM 913 CG GLN A 57 -1.245 -16.107 -1.877 1.00 0.00 C ATOM 914 CD GLN A 57 -0.345 -16.712 -2.955 1.00 0.00 C ATOM 915 OE1 GLN A 57 0.699 -16.181 -3.298 1.00 0.00 O ATOM 916 NE2 GLN A 57 -0.805 -17.849 -3.470 1.00 0.00 N ATOM 0 H GLN A 57 0.490 -13.966 1.115 1.00 0.00 H new ATOM 0 HA GLN A 57 -2.156 -14.914 0.303 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -0.352 -14.219 -1.336 1.00 0.00 H new ATOM 0 HB3 GLN A 57 0.572 -15.616 -0.822 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -1.733 -16.904 -1.316 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.034 -15.518 -2.345 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -1.687 -18.240 -3.138 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -0.276 -18.330 -4.197 1.00 0.00 H new ATOM 925 N ILE A 58 -2.162 -17.168 1.260 1.00 0.00 N ATOM 926 CA ILE A 58 -2.228 -18.463 1.915 1.00 0.00 C ATOM 927 C ILE A 58 -1.547 -19.511 1.034 1.00 0.00 C ATOM 928 O ILE A 58 -1.771 -19.552 -0.175 1.00 0.00 O ATOM 929 CB ILE A 58 -3.676 -18.807 2.274 1.00 0.00 C ATOM 930 CG1 ILE A 58 -4.417 -17.579 2.805 1.00 0.00 C ATOM 931 CG2 ILE A 58 -3.733 -19.981 3.254 1.00 0.00 C ATOM 932 CD1 ILE A 58 -5.484 -17.982 3.825 1.00 0.00 C ATOM 0 H ILE A 58 -3.051 -16.832 0.889 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.685 -18.441 2.860 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.188 -19.122 1.365 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -3.707 -16.893 3.267 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -4.883 -17.045 1.977 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.773 -20.205 3.493 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.268 -20.856 2.801 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.199 -19.719 4.167 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -5.996 -17.091 4.187 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.206 -18.649 3.353 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.011 -18.494 4.663 1.00 0.00 H new ATOM 944 N PHE A 59 -0.728 -20.333 1.674 1.00 0.00 N ATOM 945 CA PHE A 59 -0.012 -21.379 0.962 1.00 0.00 C ATOM 946 C PHE A 59 -0.882 -22.627 0.802 1.00 0.00 C ATOM 947 O PHE A 59 -0.911 -23.234 -0.268 1.00 0.00 O ATOM 948 CB PHE A 59 1.215 -21.732 1.805 1.00 0.00 C ATOM 949 CG PHE A 59 2.064 -22.864 1.223 1.00 0.00 C ATOM 950 CD1 PHE A 59 2.961 -22.603 0.233 1.00 0.00 C ATOM 951 CD2 PHE A 59 1.923 -24.132 1.695 1.00 0.00 C ATOM 952 CE1 PHE A 59 3.749 -23.654 -0.306 1.00 0.00 C ATOM 953 CE2 PHE A 59 2.710 -25.183 1.155 1.00 0.00 C ATOM 954 CZ PHE A 59 3.607 -24.921 0.165 1.00 0.00 C ATOM 0 H PHE A 59 -0.544 -20.296 2.677 1.00 0.00 H new ATOM 0 HA PHE A 59 0.264 -21.031 -0.034 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.837 -20.843 1.913 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.887 -22.015 2.805 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.073 -21.597 -0.142 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.212 -24.339 2.481 1.00 0.00 H new ATOM 0 HE1 PHE A 59 4.462 -23.447 -1.091 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.597 -26.190 1.529 1.00 0.00 H new ATOM 0 HZ PHE A 59 4.206 -25.720 -0.246 1.00 0.00 H new ATOM 964 N GLY A 60 -1.568 -22.974 1.880 1.00 0.00 N ATOM 965 CA GLY A 60 -2.435 -24.140 1.873 1.00 0.00 C ATOM 966 C GLY A 60 -3.225 -24.227 0.565 1.00 0.00 C ATOM 967 O GLY A 60 -3.179 -25.244 -0.125 1.00 0.00 O ATOM 0 H GLY A 60 -1.541 -22.468 2.765 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -1.838 -25.043 2.002 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -3.124 -24.090 2.716 1.00 0.00 H new ATOM 971 N LYS A 61 -3.930 -23.147 0.264 1.00 0.00 N ATOM 972 CA LYS A 61 -4.728 -23.088 -0.949 1.00 0.00 C ATOM 973 C LYS A 61 -4.270 -21.902 -1.800 1.00 0.00 C ATOM 974 O LYS A 61 -3.086 -21.569 -1.820 1.00 0.00 O ATOM 975 CB LYS A 61 -6.220 -23.061 -0.609 1.00 0.00 C ATOM 976 CG LYS A 61 -6.594 -21.765 0.112 1.00 0.00 C ATOM 977 CD LYS A 61 -8.097 -21.707 0.391 1.00 0.00 C ATOM 978 CE LYS A 61 -8.401 -22.078 1.843 1.00 0.00 C ATOM 979 NZ LYS A 61 -9.640 -21.410 2.301 1.00 0.00 N ATOM 0 H LYS A 61 -3.965 -22.305 0.839 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.577 -23.987 -1.547 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.807 -23.155 -1.523 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.469 -23.916 0.020 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.043 -21.695 1.050 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.300 -20.909 -0.495 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.470 -20.704 0.183 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.621 -22.388 -0.279 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.509 -23.159 1.933 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.567 -21.787 2.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.547 -21.157 3.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.798 -20.549 1.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -10.447 -22.055 2.180 1.00 0.00 H new ATOM 992 N LEU A 62 -5.231 -21.296 -2.481 1.00 0.00 N ATOM 993 CA LEU A 62 -4.942 -20.154 -3.331 1.00 0.00 C ATOM 994 C LEU A 62 -5.660 -18.920 -2.782 1.00 0.00 C ATOM 995 O LEU A 62 -6.245 -18.149 -3.541 1.00 0.00 O ATOM 996 CB LEU A 62 -5.285 -20.469 -4.788 1.00 0.00 C ATOM 997 CG LEU A 62 -4.516 -21.629 -5.423 1.00 0.00 C ATOM 998 CD1 LEU A 62 -5.441 -22.498 -6.278 1.00 0.00 C ATOM 999 CD2 LEU A 62 -3.313 -21.118 -6.219 1.00 0.00 C ATOM 0 H LEU A 62 -6.212 -21.575 -2.461 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.875 -19.932 -3.321 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.351 -20.689 -4.850 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -5.109 -19.573 -5.384 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.129 -22.261 -4.623 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.869 -23.315 -6.718 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.236 -22.906 -5.654 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.878 -21.892 -7.072 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.783 -21.962 -6.660 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.657 -20.452 -7.010 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.641 -20.575 -5.554 1.00 0.00 H new ATOM 1011 N GLU A 63 -5.593 -18.771 -1.467 1.00 0.00 N ATOM 1012 CA GLU A 63 -6.230 -17.644 -0.808 1.00 0.00 C ATOM 1013 C GLU A 63 -5.178 -16.628 -0.359 1.00 0.00 C ATOM 1014 O GLU A 63 -3.980 -16.892 -0.443 1.00 0.00 O ATOM 1015 CB GLU A 63 -7.082 -18.110 0.374 1.00 0.00 C ATOM 1016 CG GLU A 63 -8.472 -17.473 0.333 1.00 0.00 C ATOM 1017 CD GLU A 63 -9.533 -18.497 -0.075 1.00 0.00 C ATOM 1018 OE1 GLU A 63 -9.466 -19.050 -1.182 1.00 0.00 O ATOM 1019 OE2 GLU A 63 -10.452 -18.711 0.805 1.00 0.00 O ATOM 0 H GLU A 63 -5.107 -19.412 -0.840 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.894 -17.158 -1.523 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -7.175 -19.196 0.354 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.586 -17.850 1.309 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.716 -17.062 1.312 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.474 -16.641 -0.372 1.00 0.00 H new ATOM 1027 N ALA A 64 -5.664 -15.487 0.106 1.00 0.00 N ATOM 1028 CA ALA A 64 -4.781 -14.430 0.569 1.00 0.00 C ATOM 1029 C ALA A 64 -5.558 -13.491 1.494 1.00 0.00 C ATOM 1030 O ALA A 64 -6.693 -13.121 1.198 1.00 0.00 O ATOM 1031 CB ALA A 64 -4.185 -13.700 -0.636 1.00 0.00 C ATOM 0 H ALA A 64 -6.659 -15.271 0.172 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.952 -14.845 1.142 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.522 -12.907 -0.290 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.619 -14.405 -1.245 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.988 -13.267 -1.233 1.00 0.00 H new ATOM 1037 N GLU A 65 -4.914 -13.131 2.595 1.00 0.00 N ATOM 1038 CA GLU A 65 -5.530 -12.241 3.565 1.00 0.00 C ATOM 1039 C GLU A 65 -4.666 -10.995 3.766 1.00 0.00 C ATOM 1040 O GLU A 65 -3.440 -11.086 3.815 1.00 0.00 O ATOM 1041 CB GLU A 65 -5.771 -12.962 4.893 1.00 0.00 C ATOM 1042 CG GLU A 65 -6.645 -12.117 5.823 1.00 0.00 C ATOM 1043 CD GLU A 65 -6.189 -12.256 7.277 1.00 0.00 C ATOM 1044 OE1 GLU A 65 -6.650 -13.161 7.988 1.00 0.00 O ATOM 1045 OE2 GLU A 65 -5.323 -11.380 7.664 1.00 0.00 O ATOM 0 H GLU A 65 -3.972 -13.439 2.837 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.499 -11.927 3.178 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -6.253 -13.922 4.708 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -4.817 -13.172 5.376 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.598 -11.071 5.521 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -7.686 -12.428 5.733 1.00 0.00 H new ATOM 1053 N GLY A 66 -5.338 -9.859 3.877 1.00 0.00 N ATOM 1054 CA GLY A 66 -4.647 -8.596 4.072 1.00 0.00 C ATOM 1055 C GLY A 66 -5.584 -7.543 4.666 1.00 0.00 C ATOM 1056 O GLY A 66 -6.796 -7.751 4.729 1.00 0.00 O ATOM 0 H GLY A 66 -6.355 -9.787 3.836 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.794 -8.743 4.734 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.254 -8.242 3.119 1.00 0.00 H new ATOM 1060 N TYR A 67 -4.989 -6.437 5.088 1.00 0.00 N ATOM 1061 CA TYR A 67 -5.756 -5.352 5.676 1.00 0.00 C ATOM 1062 C TYR A 67 -5.602 -4.067 4.861 1.00 0.00 C ATOM 1063 O TYR A 67 -4.505 -3.743 4.408 1.00 0.00 O ATOM 1064 CB TYR A 67 -5.172 -5.130 7.072 1.00 0.00 C ATOM 1065 CG TYR A 67 -5.436 -3.736 7.643 1.00 0.00 C ATOM 1066 CD1 TYR A 67 -6.706 -3.388 8.056 1.00 0.00 C ATOM 1067 CD2 TYR A 67 -4.404 -2.824 7.745 1.00 0.00 C ATOM 1068 CE1 TYR A 67 -6.956 -2.076 8.593 1.00 0.00 C ATOM 1069 CE2 TYR A 67 -4.653 -1.512 8.284 1.00 0.00 C ATOM 1070 CZ TYR A 67 -5.916 -1.203 8.680 1.00 0.00 C ATOM 1071 OH TYR A 67 -6.152 0.037 9.188 1.00 0.00 O ATOM 0 H TYR A 67 -3.984 -6.269 5.034 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.817 -5.602 5.702 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.588 -5.874 7.751 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -4.096 -5.298 7.035 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -7.513 -4.101 7.976 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -3.410 -3.095 7.421 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -7.945 -1.791 8.919 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -3.854 -0.790 8.372 1.00 0.00 H new ATOM 0 HH TYR A 67 -5.319 0.553 9.192 1.00 0.00 H new ATOM 1081 N ALA A 68 -6.716 -3.369 4.699 1.00 0.00 N ATOM 1082 CA ALA A 68 -6.718 -2.126 3.945 1.00 0.00 C ATOM 1083 C ALA A 68 -6.777 -0.946 4.918 1.00 0.00 C ATOM 1084 O ALA A 68 -7.204 -1.101 6.060 1.00 0.00 O ATOM 1085 CB ALA A 68 -7.888 -2.129 2.959 1.00 0.00 C ATOM 0 H ALA A 68 -7.624 -3.640 5.077 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.802 -2.028 3.362 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.890 -1.197 2.394 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -7.783 -2.970 2.273 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -8.826 -2.222 3.507 1.00 0.00 H new ATOM 1091 N LYS A 69 -6.344 0.205 4.427 1.00 0.00 N ATOM 1092 CA LYS A 69 -6.341 1.410 5.239 1.00 0.00 C ATOM 1093 C LYS A 69 -6.783 2.598 4.380 1.00 0.00 C ATOM 1094 O LYS A 69 -6.556 2.613 3.171 1.00 0.00 O ATOM 1095 CB LYS A 69 -4.978 1.606 5.903 1.00 0.00 C ATOM 1096 CG LYS A 69 -4.823 3.036 6.427 1.00 0.00 C ATOM 1097 CD LYS A 69 -4.315 3.970 5.328 1.00 0.00 C ATOM 1098 CE LYS A 69 -2.795 4.132 5.406 1.00 0.00 C ATOM 1099 NZ LYS A 69 -2.355 5.290 4.595 1.00 0.00 N ATOM 0 H LYS A 69 -5.993 0.329 3.477 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.057 1.321 6.056 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.865 0.899 6.725 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -4.186 1.390 5.186 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -5.781 3.396 6.801 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -4.129 3.046 7.267 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.592 3.573 4.351 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -4.794 4.945 5.424 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.491 4.270 6.443 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -2.308 3.225 5.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.780 4.956 3.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -3.188 5.797 4.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.788 5.932 5.185 1.00 0.00 H new ATOM 1112 N ILE A 70 -7.405 3.564 5.039 1.00 0.00 N ATOM 1113 CA ILE A 70 -7.881 4.753 4.352 1.00 0.00 C ATOM 1114 C ILE A 70 -7.682 5.972 5.255 1.00 0.00 C ATOM 1115 O ILE A 70 -7.970 5.918 6.449 1.00 0.00 O ATOM 1116 CB ILE A 70 -9.326 4.561 3.886 1.00 0.00 C ATOM 1117 CG1 ILE A 70 -9.409 3.513 2.775 1.00 0.00 C ATOM 1118 CG2 ILE A 70 -9.948 5.894 3.466 1.00 0.00 C ATOM 1119 CD1 ILE A 70 -10.843 3.005 2.606 1.00 0.00 C ATOM 0 H ILE A 70 -7.591 3.548 6.042 1.00 0.00 H new ATOM 0 HA ILE A 70 -7.300 4.928 3.447 1.00 0.00 H new ATOM 0 HB ILE A 70 -9.909 4.185 4.726 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -9.059 3.944 1.837 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -8.749 2.678 3.008 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -10.975 5.729 3.139 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -9.942 6.581 4.312 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -9.371 6.323 2.647 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -10.874 2.261 1.810 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -11.181 2.553 3.538 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -11.496 3.839 2.349 1.00 0.00 H new ATOM 1131 N TYR A 71 -7.191 7.044 4.648 1.00 0.00 N ATOM 1132 CA TYR A 71 -6.951 8.274 5.382 1.00 0.00 C ATOM 1133 C TYR A 71 -7.954 9.357 4.979 1.00 0.00 C ATOM 1134 O TYR A 71 -8.848 9.111 4.172 1.00 0.00 O ATOM 1135 CB TYR A 71 -5.542 8.729 4.993 1.00 0.00 C ATOM 1136 CG TYR A 71 -4.553 8.754 6.160 1.00 0.00 C ATOM 1137 CD1 TYR A 71 -4.487 9.858 6.985 1.00 0.00 C ATOM 1138 CD2 TYR A 71 -3.726 7.673 6.387 1.00 0.00 C ATOM 1139 CE1 TYR A 71 -3.556 9.882 8.083 1.00 0.00 C ATOM 1140 CE2 TYR A 71 -2.794 7.697 7.484 1.00 0.00 C ATOM 1141 CZ TYR A 71 -2.755 8.800 8.279 1.00 0.00 C ATOM 1142 OH TYR A 71 -1.875 8.822 9.315 1.00 0.00 O ATOM 0 H TYR A 71 -6.953 7.085 3.657 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.055 8.108 6.454 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.158 8.065 4.218 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.600 9.727 4.558 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -5.134 10.704 6.807 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -3.778 6.809 5.742 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -3.495 10.740 8.736 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -2.140 6.858 7.672 1.00 0.00 H new ATOM 0 HH TYR A 71 -1.370 7.982 9.333 1.00 0.00 H new ATOM 1152 N ASN A 72 -7.770 10.534 5.560 1.00 0.00 N ATOM 1153 CA ASN A 72 -8.646 11.656 5.272 1.00 0.00 C ATOM 1154 C ASN A 72 -7.890 12.685 4.429 1.00 0.00 C ATOM 1155 O ASN A 72 -8.438 13.234 3.474 1.00 0.00 O ATOM 1156 CB ASN A 72 -9.103 12.343 6.560 1.00 0.00 C ATOM 1157 CG ASN A 72 -10.520 11.909 6.941 1.00 0.00 C ATOM 1158 OD1 ASN A 72 -11.509 12.457 6.483 1.00 0.00 O ATOM 1159 ND2 ASN A 72 -10.562 10.896 7.802 1.00 0.00 N ATOM 0 H ASN A 72 -7.027 10.734 6.229 1.00 0.00 H new ATOM 0 HA ASN A 72 -9.517 11.275 4.738 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -8.415 12.100 7.370 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -9.073 13.425 6.430 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -11.461 10.532 8.118 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -9.695 10.483 8.146 1.00 0.00 H new ATOM 1166 N ASP A 73 -6.644 12.916 4.813 1.00 0.00 N ATOM 1167 CA ASP A 73 -5.807 13.870 4.105 1.00 0.00 C ATOM 1168 C ASP A 73 -4.341 13.449 4.233 1.00 0.00 C ATOM 1169 O ASP A 73 -3.834 13.282 5.342 1.00 0.00 O ATOM 1170 CB ASP A 73 -5.949 15.274 4.696 1.00 0.00 C ATOM 1171 CG ASP A 73 -6.577 15.328 6.090 1.00 0.00 C ATOM 1172 OD1 ASP A 73 -7.707 15.809 6.264 1.00 0.00 O ATOM 1173 OD2 ASP A 73 -5.847 14.842 7.036 1.00 0.00 O ATOM 0 H ASP A 73 -6.193 12.459 5.606 1.00 0.00 H new ATOM 0 HA ASP A 73 -6.122 13.885 3.062 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -4.962 15.735 4.740 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -6.553 15.878 4.018 1.00 0.00 H new ATOM 1179 N GLU A 74 -3.702 13.292 3.084 1.00 0.00 N ATOM 1180 CA GLU A 74 -2.303 12.894 3.055 1.00 0.00 C ATOM 1181 C GLU A 74 -1.465 13.838 3.919 1.00 0.00 C ATOM 1182 O GLU A 74 -0.358 13.492 4.328 1.00 0.00 O ATOM 1183 CB GLU A 74 -1.776 12.852 1.619 1.00 0.00 C ATOM 1184 CG GLU A 74 -2.549 11.832 0.780 1.00 0.00 C ATOM 1185 CD GLU A 74 -2.807 12.365 -0.631 1.00 0.00 C ATOM 1186 OE1 GLU A 74 -3.835 13.016 -0.869 1.00 0.00 O ATOM 1187 OE2 GLU A 74 -1.892 12.082 -1.496 1.00 0.00 O ATOM 0 H GLU A 74 -4.125 13.433 2.167 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.222 11.888 3.467 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.863 13.840 1.167 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.717 12.596 1.624 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.985 10.901 0.723 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.498 11.602 1.265 1.00 0.00 H new ATOM 1195 N LYS A 75 -2.025 15.012 4.172 1.00 0.00 N ATOM 1196 CA LYS A 75 -1.342 16.007 4.980 1.00 0.00 C ATOM 1197 C LYS A 75 -1.045 15.420 6.362 1.00 0.00 C ATOM 1198 O LYS A 75 0.051 15.595 6.892 1.00 0.00 O ATOM 1199 CB LYS A 75 -2.150 17.306 5.025 1.00 0.00 C ATOM 1200 CG LYS A 75 -2.179 17.981 3.653 1.00 0.00 C ATOM 1201 CD LYS A 75 -0.970 18.899 3.466 1.00 0.00 C ATOM 1202 CE LYS A 75 0.282 18.090 3.117 1.00 0.00 C ATOM 1203 NZ LYS A 75 1.187 18.884 2.255 1.00 0.00 N ATOM 0 H LYS A 75 -2.944 15.296 3.832 1.00 0.00 H new ATOM 0 HA LYS A 75 -0.384 16.269 4.532 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.168 17.094 5.352 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.714 17.984 5.759 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.188 17.222 2.871 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.098 18.558 3.547 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.175 19.620 2.674 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.797 19.469 4.379 1.00 0.00 H new ATOM 0 HE2 LYS A 75 0.801 17.800 4.030 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.003 17.170 2.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.031 18.321 2.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.694 19.139 1.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 1.473 19.750 2.756 1.00 0.00 H new ATOM 1216 N ALA A 76 -2.041 14.735 6.904 1.00 0.00 N ATOM 1217 CA ALA A 76 -1.900 14.121 8.214 1.00 0.00 C ATOM 1218 C ALA A 76 -1.032 12.867 8.093 1.00 0.00 C ATOM 1219 O ALA A 76 -0.061 12.707 8.831 1.00 0.00 O ATOM 1220 CB ALA A 76 -3.286 13.818 8.787 1.00 0.00 C ATOM 0 H ALA A 76 -2.948 14.591 6.461 1.00 0.00 H new ATOM 0 HA ALA A 76 -1.403 14.801 8.906 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -3.181 13.358 9.769 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.852 14.745 8.879 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -3.814 13.135 8.121 1.00 0.00 H new ATOM 1226 N MET A 77 -1.414 12.008 7.159 1.00 0.00 N ATOM 1227 CA MET A 77 -0.683 10.774 6.932 1.00 0.00 C ATOM 1228 C MET A 77 0.799 11.054 6.669 1.00 0.00 C ATOM 1229 O MET A 77 1.668 10.438 7.284 1.00 0.00 O ATOM 1230 CB MET A 77 -1.283 10.037 5.732 1.00 0.00 C ATOM 1231 CG MET A 77 -0.245 9.130 5.071 1.00 0.00 C ATOM 1232 SD MET A 77 -1.062 7.844 4.141 1.00 0.00 S ATOM 1233 CE MET A 77 -1.333 8.701 2.599 1.00 0.00 C ATOM 0 H MET A 77 -2.221 12.143 6.550 1.00 0.00 H new ATOM 0 HA MET A 77 -0.764 10.157 7.827 1.00 0.00 H new ATOM 0 HB2 MET A 77 -2.137 9.442 6.056 1.00 0.00 H new ATOM 0 HB3 MET A 77 -1.655 10.760 5.006 1.00 0.00 H new ATOM 0 HG2 MET A 77 0.395 9.716 4.412 1.00 0.00 H new ATOM 0 HG3 MET A 77 0.400 8.687 5.830 1.00 0.00 H new ATOM 0 HE1 MET A 77 -1.838 8.037 1.898 1.00 0.00 H new ATOM 0 HE2 MET A 77 -1.952 9.581 2.776 1.00 0.00 H new ATOM 0 HE3 MET A 77 -0.375 9.009 2.181 1.00 0.00 H new ATOM 1243 N ALA A 78 1.040 11.983 5.757 1.00 0.00 N ATOM 1244 CA ALA A 78 2.401 12.353 5.407 1.00 0.00 C ATOM 1245 C ALA A 78 3.210 12.575 6.686 1.00 0.00 C ATOM 1246 O ALA A 78 4.297 12.021 6.841 1.00 0.00 O ATOM 1247 CB ALA A 78 2.378 13.592 4.508 1.00 0.00 C ATOM 0 H ALA A 78 0.316 12.491 5.249 1.00 0.00 H new ATOM 0 HA ALA A 78 2.884 11.553 4.847 1.00 0.00 H new ATOM 0 HB1 ALA A 78 3.399 13.870 4.245 1.00 0.00 H new ATOM 0 HB2 ALA A 78 1.817 13.372 3.600 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.902 14.417 5.038 1.00 0.00 H new ATOM 1253 N THR A 79 2.649 13.387 7.570 1.00 0.00 N ATOM 1254 CA THR A 79 3.305 13.688 8.830 1.00 0.00 C ATOM 1255 C THR A 79 3.224 12.488 9.775 1.00 0.00 C ATOM 1256 O THR A 79 4.248 11.931 10.168 1.00 0.00 O ATOM 1257 CB THR A 79 2.669 14.956 9.403 1.00 0.00 C ATOM 1258 OG1 THR A 79 3.241 16.010 8.634 1.00 0.00 O ATOM 1259 CG2 THR A 79 3.127 15.247 10.834 1.00 0.00 C ATOM 0 H THR A 79 1.747 13.845 7.438 1.00 0.00 H new ATOM 0 HA THR A 79 4.369 13.876 8.686 1.00 0.00 H new ATOM 0 HB THR A 79 1.584 14.858 9.383 1.00 0.00 H new ATOM 0 HG1 THR A 79 2.882 16.869 8.939 1.00 0.00 H new ATOM 0 HG21 THR A 79 2.646 16.157 11.192 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.853 14.413 11.480 1.00 0.00 H new ATOM 0 HG23 THR A 79 4.209 15.378 10.850 1.00 0.00 H new ATOM 1267 N ILE A 80 1.995 12.123 10.112 1.00 0.00 N ATOM 1268 CA ILE A 80 1.766 10.998 11.004 1.00 0.00 C ATOM 1269 C ILE A 80 2.746 9.875 10.660 1.00 0.00 C ATOM 1270 O ILE A 80 3.630 9.553 11.453 1.00 0.00 O ATOM 1271 CB ILE A 80 0.298 10.570 10.959 1.00 0.00 C ATOM 1272 CG1 ILE A 80 -0.559 11.451 11.869 1.00 0.00 C ATOM 1273 CG2 ILE A 80 0.151 9.084 11.295 1.00 0.00 C ATOM 1274 CD1 ILE A 80 -2.015 10.983 11.874 1.00 0.00 C ATOM 0 H ILE A 80 1.148 12.586 9.784 1.00 0.00 H new ATOM 0 HA ILE A 80 1.958 11.284 12.038 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.068 10.709 9.942 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.162 11.426 12.884 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -0.507 12.486 11.532 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.902 8.805 11.256 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.711 8.490 10.572 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.539 8.897 12.296 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -2.602 11.627 12.529 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -2.417 11.032 10.862 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.066 9.956 12.235 1.00 0.00 H new ATOM 1286 N GLU A 81 2.556 9.307 9.478 1.00 0.00 N ATOM 1287 CA GLU A 81 3.413 8.226 9.021 1.00 0.00 C ATOM 1288 C GLU A 81 4.674 8.789 8.364 1.00 0.00 C ATOM 1289 O GLU A 81 4.895 9.999 8.372 1.00 0.00 O ATOM 1290 CB GLU A 81 2.662 7.300 8.062 1.00 0.00 C ATOM 1291 CG GLU A 81 2.488 5.906 8.668 1.00 0.00 C ATOM 1292 CD GLU A 81 3.816 5.377 9.215 1.00 0.00 C ATOM 1293 OE1 GLU A 81 3.856 4.844 10.334 1.00 0.00 O ATOM 1294 OE2 GLU A 81 4.830 5.536 8.434 1.00 0.00 O ATOM 0 H GLU A 81 1.821 9.575 8.823 1.00 0.00 H new ATOM 0 HA GLU A 81 3.712 7.635 9.887 1.00 0.00 H new ATOM 0 HB2 GLU A 81 1.685 7.725 7.832 1.00 0.00 H new ATOM 0 HB3 GLU A 81 3.207 7.226 7.121 1.00 0.00 H new ATOM 0 HG2 GLU A 81 1.750 5.943 9.469 1.00 0.00 H new ATOM 0 HG3 GLU A 81 2.104 5.222 7.911 1.00 0.00 H new ATOM 1302 N THR A 82 5.468 7.885 7.810 1.00 0.00 N ATOM 1303 CA THR A 82 6.702 8.277 7.150 1.00 0.00 C ATOM 1304 C THR A 82 6.794 7.633 5.765 1.00 0.00 C ATOM 1305 O THR A 82 5.821 7.056 5.280 1.00 0.00 O ATOM 1306 CB THR A 82 7.868 7.908 8.069 1.00 0.00 C ATOM 1307 OG1 THR A 82 7.955 6.489 7.967 1.00 0.00 O ATOM 1308 CG2 THR A 82 7.551 8.156 9.545 1.00 0.00 C ATOM 0 H THR A 82 5.281 6.882 7.804 1.00 0.00 H new ATOM 0 HA THR A 82 6.733 9.353 6.977 1.00 0.00 H new ATOM 0 HB THR A 82 8.750 8.483 7.785 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.688 6.165 8.531 1.00 0.00 H new ATOM 0 HG21 THR A 82 8.411 7.878 10.154 1.00 0.00 H new ATOM 0 HG22 THR A 82 7.326 9.212 9.696 1.00 0.00 H new ATOM 0 HG23 THR A 82 6.690 7.556 9.838 1.00 0.00 H new ATOM 1316 N LYS A 83 7.970 7.753 5.168 1.00 0.00 N ATOM 1317 CA LYS A 83 8.201 7.190 3.848 1.00 0.00 C ATOM 1318 C LYS A 83 8.017 5.672 3.907 1.00 0.00 C ATOM 1319 O LYS A 83 7.804 5.029 2.881 1.00 0.00 O ATOM 1320 CB LYS A 83 9.568 7.623 3.313 1.00 0.00 C ATOM 1321 CG LYS A 83 10.691 6.805 3.952 1.00 0.00 C ATOM 1322 CD LYS A 83 11.361 7.585 5.085 1.00 0.00 C ATOM 1323 CE LYS A 83 12.631 8.284 4.593 1.00 0.00 C ATOM 1324 NZ LYS A 83 13.785 7.360 4.648 1.00 0.00 N ATOM 0 H LYS A 83 8.774 8.232 5.574 1.00 0.00 H new ATOM 0 HA LYS A 83 7.469 7.573 3.137 1.00 0.00 H new ATOM 0 HB2 LYS A 83 9.594 7.500 2.230 1.00 0.00 H new ATOM 0 HB3 LYS A 83 9.723 8.682 3.517 1.00 0.00 H new ATOM 0 HG2 LYS A 83 10.289 5.869 4.339 1.00 0.00 H new ATOM 0 HG3 LYS A 83 11.432 6.546 3.196 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.666 8.324 5.483 1.00 0.00 H new ATOM 0 HD3 LYS A 83 11.608 6.907 5.902 1.00 0.00 H new ATOM 0 HE2 LYS A 83 12.487 8.635 3.571 1.00 0.00 H new ATOM 0 HE3 LYS A 83 12.831 9.162 5.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 14.638 7.850 4.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 13.931 7.045 5.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 13.598 6.535 4.043 1.00 0.00 H new ATOM 1337 N SER A 84 8.105 5.144 5.119 1.00 0.00 N ATOM 1338 CA SER A 84 7.949 3.713 5.325 1.00 0.00 C ATOM 1339 C SER A 84 6.570 3.262 4.843 1.00 0.00 C ATOM 1340 O SER A 84 6.458 2.308 4.075 1.00 0.00 O ATOM 1341 CB SER A 84 8.146 3.345 6.797 1.00 0.00 C ATOM 1342 OG SER A 84 8.716 2.048 6.950 1.00 0.00 O ATOM 0 H SER A 84 8.282 5.681 5.968 1.00 0.00 H new ATOM 0 HA SER A 84 8.714 3.198 4.745 1.00 0.00 H new ATOM 0 HB2 SER A 84 8.792 4.083 7.272 1.00 0.00 H new ATOM 0 HB3 SER A 84 7.186 3.382 7.312 1.00 0.00 H new ATOM 0 HG SER A 84 8.828 1.850 7.903 1.00 0.00 H new ATOM 1348 N VAL A 85 5.553 3.969 5.315 1.00 0.00 N ATOM 1349 CA VAL A 85 4.184 3.652 4.942 1.00 0.00 C ATOM 1350 C VAL A 85 3.898 4.213 3.547 1.00 0.00 C ATOM 1351 O VAL A 85 3.278 3.545 2.721 1.00 0.00 O ATOM 1352 CB VAL A 85 3.217 4.176 6.007 1.00 0.00 C ATOM 1353 CG1 VAL A 85 1.860 4.521 5.392 1.00 0.00 C ATOM 1354 CG2 VAL A 85 3.063 3.169 7.149 1.00 0.00 C ATOM 0 H VAL A 85 5.649 4.760 5.952 1.00 0.00 H new ATOM 0 HA VAL A 85 4.041 2.573 4.895 1.00 0.00 H new ATOM 0 HB VAL A 85 3.638 5.092 6.422 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.192 4.891 6.170 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.991 5.289 4.630 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.429 3.629 4.937 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.371 3.565 7.892 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.675 2.230 6.756 1.00 0.00 H new ATOM 0 HG23 VAL A 85 4.034 2.994 7.613 1.00 0.00 H new ATOM 1364 N LEU A 86 4.363 5.434 3.328 1.00 0.00 N ATOM 1365 CA LEU A 86 4.164 6.092 2.047 1.00 0.00 C ATOM 1366 C LEU A 86 4.910 5.317 0.960 1.00 0.00 C ATOM 1367 O LEU A 86 4.609 5.457 -0.225 1.00 0.00 O ATOM 1368 CB LEU A 86 4.563 7.566 2.135 1.00 0.00 C ATOM 1369 CG LEU A 86 3.612 8.473 2.920 1.00 0.00 C ATOM 1370 CD1 LEU A 86 2.739 7.657 3.875 1.00 0.00 C ATOM 1371 CD2 LEU A 86 4.383 9.576 3.649 1.00 0.00 C ATOM 0 H LEU A 86 4.877 5.985 4.015 1.00 0.00 H new ATOM 0 HA LEU A 86 3.108 6.087 1.775 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.551 7.628 2.591 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.654 7.958 1.122 1.00 0.00 H new ATOM 0 HG LEU A 86 2.944 8.962 2.211 1.00 0.00 H new ATOM 0 HD11 LEU A 86 2.073 8.326 4.420 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.147 6.941 3.305 1.00 0.00 H new ATOM 0 HD13 LEU A 86 3.374 7.122 4.581 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.684 10.206 4.199 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.091 9.126 4.345 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.924 10.183 2.923 1.00 0.00 H new ATOM 1383 N GLU A 87 5.869 4.516 1.401 1.00 0.00 N ATOM 1384 CA GLU A 87 6.660 3.718 0.479 1.00 0.00 C ATOM 1385 C GLU A 87 5.767 2.721 -0.262 1.00 0.00 C ATOM 1386 O GLU A 87 5.775 2.669 -1.491 1.00 0.00 O ATOM 1387 CB GLU A 87 7.795 2.998 1.212 1.00 0.00 C ATOM 1388 CG GLU A 87 9.125 3.727 1.012 1.00 0.00 C ATOM 1389 CD GLU A 87 10.080 2.897 0.150 1.00 0.00 C ATOM 1390 OE1 GLU A 87 10.604 1.873 0.615 1.00 0.00 O ATOM 1391 OE2 GLU A 87 10.269 3.349 -1.043 1.00 0.00 O ATOM 0 H GLU A 87 6.116 4.402 2.384 1.00 0.00 H new ATOM 0 HA GLU A 87 7.111 4.386 -0.255 1.00 0.00 H new ATOM 0 HB2 GLU A 87 7.565 2.938 2.276 1.00 0.00 H new ATOM 0 HB3 GLU A 87 7.878 1.975 0.846 1.00 0.00 H new ATOM 0 HG2 GLU A 87 8.947 4.692 0.538 1.00 0.00 H new ATOM 0 HG3 GLU A 87 9.584 3.927 1.980 1.00 0.00 H new ATOM 1399 N LYS A 88 5.017 1.954 0.517 1.00 0.00 N ATOM 1400 CA LYS A 88 4.120 0.962 -0.050 1.00 0.00 C ATOM 1401 C LYS A 88 3.063 1.665 -0.904 1.00 0.00 C ATOM 1402 O LYS A 88 2.612 1.123 -1.911 1.00 0.00 O ATOM 1403 CB LYS A 88 3.533 0.078 1.052 1.00 0.00 C ATOM 1404 CG LYS A 88 2.600 0.881 1.960 1.00 0.00 C ATOM 1405 CD LYS A 88 3.158 0.966 3.382 1.00 0.00 C ATOM 1406 CE LYS A 88 3.120 -0.401 4.068 1.00 0.00 C ATOM 1407 NZ LYS A 88 3.314 -0.254 5.528 1.00 0.00 N ATOM 0 H LYS A 88 5.013 2.000 1.536 1.00 0.00 H new ATOM 0 HA LYS A 88 4.666 0.288 -0.710 1.00 0.00 H new ATOM 0 HB2 LYS A 88 2.986 -0.752 0.605 1.00 0.00 H new ATOM 0 HB3 LYS A 88 4.339 -0.355 1.644 1.00 0.00 H new ATOM 0 HG2 LYS A 88 2.469 1.885 1.556 1.00 0.00 H new ATOM 0 HG3 LYS A 88 1.615 0.414 1.979 1.00 0.00 H new ATOM 0 HD2 LYS A 88 4.184 1.334 3.353 1.00 0.00 H new ATOM 0 HD3 LYS A 88 2.578 1.684 3.962 1.00 0.00 H new ATOM 0 HE2 LYS A 88 2.165 -0.888 3.869 1.00 0.00 H new ATOM 0 HE3 LYS A 88 3.897 -1.044 3.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 3.404 -1.194 5.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 4.178 0.296 5.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 2.496 0.240 5.939 1.00 0.00 H new ATOM 1420 N ASN A 89 2.697 2.862 -0.468 1.00 0.00 N ATOM 1421 CA ASN A 89 1.700 3.645 -1.178 1.00 0.00 C ATOM 1422 C ASN A 89 2.369 4.377 -2.344 1.00 0.00 C ATOM 1423 O ASN A 89 3.034 5.392 -2.145 1.00 0.00 O ATOM 1424 CB ASN A 89 1.068 4.695 -0.263 1.00 0.00 C ATOM 1425 CG ASN A 89 0.543 4.055 1.025 1.00 0.00 C ATOM 1426 OD1 ASN A 89 0.438 2.846 1.149 1.00 0.00 O ATOM 1427 ND2 ASN A 89 0.221 4.930 1.972 1.00 0.00 N ATOM 0 H ASN A 89 3.073 3.308 0.368 1.00 0.00 H new ATOM 0 HA ASN A 89 0.927 2.963 -1.532 1.00 0.00 H new ATOM 0 HB2 ASN A 89 1.804 5.461 -0.019 1.00 0.00 H new ATOM 0 HB3 ASN A 89 0.251 5.193 -0.785 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -0.139 4.602 2.868 1.00 0.00 H new ATOM 0 HD22 ASN A 89 0.334 5.929 1.802 1.00 0.00 H new ATOM 1434 N LYS A 90 2.170 3.832 -3.535 1.00 0.00 N ATOM 1435 CA LYS A 90 2.745 4.419 -4.733 1.00 0.00 C ATOM 1436 C LYS A 90 2.100 5.782 -4.988 1.00 0.00 C ATOM 1437 O LYS A 90 1.016 6.065 -4.478 1.00 0.00 O ATOM 1438 CB LYS A 90 2.629 3.453 -5.913 1.00 0.00 C ATOM 1439 CG LYS A 90 4.010 2.998 -6.388 1.00 0.00 C ATOM 1440 CD LYS A 90 3.900 1.775 -7.302 1.00 0.00 C ATOM 1441 CE LYS A 90 3.236 2.141 -8.630 1.00 0.00 C ATOM 1442 NZ LYS A 90 3.750 1.282 -9.721 1.00 0.00 N ATOM 0 H LYS A 90 1.618 2.989 -3.696 1.00 0.00 H new ATOM 0 HA LYS A 90 3.813 4.592 -4.597 1.00 0.00 H new ATOM 0 HB2 LYS A 90 2.037 2.586 -5.620 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.100 3.938 -6.734 1.00 0.00 H new ATOM 0 HG2 LYS A 90 4.502 3.812 -6.921 1.00 0.00 H new ATOM 0 HG3 LYS A 90 4.634 2.758 -5.527 1.00 0.00 H new ATOM 0 HD2 LYS A 90 4.893 1.366 -7.488 1.00 0.00 H new ATOM 0 HD3 LYS A 90 3.322 0.996 -6.805 1.00 0.00 H new ATOM 0 HE2 LYS A 90 2.155 2.026 -8.547 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.428 3.188 -8.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.289 1.544 -10.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 4.778 1.412 -9.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 3.545 0.286 -9.504 1.00 0.00 H new ATOM 1455 N ILE A 91 2.793 6.592 -5.776 1.00 0.00 N ATOM 1456 CA ILE A 91 2.300 7.919 -6.104 1.00 0.00 C ATOM 1457 C ILE A 91 2.163 8.046 -7.622 1.00 0.00 C ATOM 1458 O ILE A 91 1.084 7.831 -8.173 1.00 0.00 O ATOM 1459 CB ILE A 91 3.191 8.992 -5.475 1.00 0.00 C ATOM 1460 CG1 ILE A 91 3.296 8.799 -3.961 1.00 0.00 C ATOM 1461 CG2 ILE A 91 2.702 10.394 -5.841 1.00 0.00 C ATOM 1462 CD1 ILE A 91 2.124 9.468 -3.241 1.00 0.00 C ATOM 0 H ILE A 91 3.691 6.355 -6.197 1.00 0.00 H new ATOM 0 HA ILE A 91 1.308 8.073 -5.680 1.00 0.00 H new ATOM 0 HB ILE A 91 4.196 8.884 -5.884 1.00 0.00 H new ATOM 0 HG12 ILE A 91 3.312 7.735 -3.727 1.00 0.00 H new ATOM 0 HG13 ILE A 91 4.236 9.218 -3.602 1.00 0.00 H new ATOM 0 HG21 ILE A 91 3.353 11.138 -5.381 1.00 0.00 H new ATOM 0 HG22 ILE A 91 2.721 10.515 -6.924 1.00 0.00 H new ATOM 0 HG23 ILE A 91 1.683 10.530 -5.479 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.223 9.316 -2.166 1.00 0.00 H new ATOM 0 HD12 ILE A 91 2.126 10.536 -3.458 1.00 0.00 H new ATOM 0 HD13 ILE A 91 1.187 9.029 -3.585 1.00 0.00 H new ATOM 1474 N GLU A 92 3.273 8.394 -8.258 1.00 0.00 N ATOM 1475 CA GLU A 92 3.290 8.552 -9.702 1.00 0.00 C ATOM 1476 C GLU A 92 3.964 7.347 -10.360 1.00 0.00 C ATOM 1477 O GLU A 92 4.365 6.405 -9.677 1.00 0.00 O ATOM 1478 CB GLU A 92 3.985 9.855 -10.102 1.00 0.00 C ATOM 1479 CG GLU A 92 3.139 10.642 -11.105 1.00 0.00 C ATOM 1480 CD GLU A 92 2.464 11.839 -10.432 1.00 0.00 C ATOM 1481 OE1 GLU A 92 3.138 12.823 -10.096 1.00 0.00 O ATOM 1482 OE2 GLU A 92 1.190 11.723 -10.263 1.00 0.00 O ATOM 0 H GLU A 92 4.167 8.571 -7.799 1.00 0.00 H new ATOM 0 HA GLU A 92 2.260 8.604 -10.055 1.00 0.00 H new ATOM 0 HB2 GLU A 92 4.164 10.463 -9.215 1.00 0.00 H new ATOM 0 HB3 GLU A 92 4.959 9.633 -10.538 1.00 0.00 H new ATOM 0 HG2 GLU A 92 3.769 10.988 -11.925 1.00 0.00 H new ATOM 0 HG3 GLU A 92 2.382 9.989 -11.539 1.00 0.00 H new ATOM 1490 N GLU A 93 4.069 7.414 -11.679 1.00 0.00 N ATOM 1491 CA GLU A 93 4.688 6.340 -12.436 1.00 0.00 C ATOM 1492 C GLU A 93 5.795 6.893 -13.335 1.00 0.00 C ATOM 1493 O GLU A 93 6.013 8.103 -13.383 1.00 0.00 O ATOM 1494 CB GLU A 93 3.646 5.577 -13.257 1.00 0.00 C ATOM 1495 CG GLU A 93 2.861 6.525 -14.165 1.00 0.00 C ATOM 1496 CD GLU A 93 2.280 5.779 -15.368 1.00 0.00 C ATOM 1497 OE1 GLU A 93 2.929 4.867 -15.903 1.00 0.00 O ATOM 1498 OE2 GLU A 93 1.111 6.174 -15.743 1.00 0.00 O ATOM 0 H GLU A 93 3.736 8.196 -12.243 1.00 0.00 H new ATOM 0 HA GLU A 93 5.135 5.637 -11.733 1.00 0.00 H new ATOM 0 HB2 GLU A 93 4.140 4.816 -13.861 1.00 0.00 H new ATOM 0 HB3 GLU A 93 2.960 5.058 -12.588 1.00 0.00 H new ATOM 0 HG2 GLU A 93 2.055 6.992 -13.599 1.00 0.00 H new ATOM 0 HG3 GLU A 93 3.514 7.327 -14.511 1.00 0.00 H new ATOM 1506 N GLU A 94 6.464 5.982 -14.027 1.00 0.00 N ATOM 1507 CA GLU A 94 7.543 6.365 -14.921 1.00 0.00 C ATOM 1508 C GLU A 94 6.982 6.769 -16.286 1.00 0.00 C ATOM 1509 O GLU A 94 5.793 7.050 -16.414 1.00 0.00 O ATOM 1510 CB GLU A 94 8.566 5.235 -15.061 1.00 0.00 C ATOM 1511 CG GLU A 94 7.975 4.054 -15.835 1.00 0.00 C ATOM 1512 CD GLU A 94 8.959 2.882 -15.879 1.00 0.00 C ATOM 1513 OE1 GLU A 94 8.819 1.926 -15.103 1.00 0.00 O ATOM 1514 OE2 GLU A 94 9.893 2.989 -16.762 1.00 0.00 O ATOM 0 H GLU A 94 6.279 4.980 -13.986 1.00 0.00 H new ATOM 0 HA GLU A 94 8.057 7.225 -14.492 1.00 0.00 H new ATOM 0 HB2 GLU A 94 9.453 5.604 -15.575 1.00 0.00 H new ATOM 0 HB3 GLU A 94 8.885 4.904 -14.073 1.00 0.00 H new ATOM 0 HG2 GLU A 94 7.045 3.735 -15.365 1.00 0.00 H new ATOM 0 HG3 GLU A 94 7.729 4.366 -16.850 1.00 0.00 H new ATOM 1522 N ALA A 95 7.868 6.786 -17.271 1.00 0.00 N ATOM 1523 CA ALA A 95 7.477 7.151 -18.622 1.00 0.00 C ATOM 1524 C ALA A 95 8.729 7.297 -19.490 1.00 0.00 C ATOM 1525 O ALA A 95 9.091 8.405 -19.883 1.00 0.00 O ATOM 1526 CB ALA A 95 6.643 8.434 -18.583 1.00 0.00 C ATOM 0 H ALA A 95 8.855 6.553 -17.161 1.00 0.00 H new ATOM 0 HA ALA A 95 6.857 6.371 -19.065 1.00 0.00 H new ATOM 0 HB1 ALA A 95 6.350 8.708 -19.596 1.00 0.00 H new ATOM 0 HB2 ALA A 95 5.751 8.270 -17.979 1.00 0.00 H new ATOM 0 HB3 ALA A 95 7.234 9.239 -18.146 1.00 0.00 H new ATOM 1532 N GLU A 96 9.356 6.161 -19.763 1.00 0.00 N ATOM 1533 CA GLU A 96 10.558 6.148 -20.577 1.00 0.00 C ATOM 1534 C GLU A 96 10.410 7.107 -21.759 1.00 0.00 C ATOM 1535 O GLU A 96 11.155 8.080 -21.872 1.00 0.00 O ATOM 1536 CB GLU A 96 10.881 4.732 -21.056 1.00 0.00 C ATOM 1537 CG GLU A 96 11.487 3.895 -19.927 1.00 0.00 C ATOM 1538 CD GLU A 96 12.140 2.625 -20.476 1.00 0.00 C ATOM 1539 OE1 GLU A 96 13.370 2.573 -20.620 1.00 0.00 O ATOM 1540 OE2 GLU A 96 11.321 1.668 -20.754 1.00 0.00 O ATOM 0 H GLU A 96 9.053 5.244 -19.434 1.00 0.00 H new ATOM 0 HA GLU A 96 11.392 6.487 -19.963 1.00 0.00 H new ATOM 0 HB2 GLU A 96 9.973 4.252 -21.422 1.00 0.00 H new ATOM 0 HB3 GLU A 96 11.577 4.778 -21.893 1.00 0.00 H new ATOM 0 HG2 GLU A 96 12.228 4.486 -19.389 1.00 0.00 H new ATOM 0 HG3 GLU A 96 10.710 3.628 -19.210 1.00 0.00 H new ATOM 1548 N ALA A 97 9.444 6.798 -22.613 1.00 0.00 N ATOM 1549 CA ALA A 97 9.189 7.621 -23.783 1.00 0.00 C ATOM 1550 C ALA A 97 7.860 7.203 -24.414 1.00 0.00 C ATOM 1551 O ALA A 97 7.384 6.091 -24.189 1.00 0.00 O ATOM 1552 CB ALA A 97 10.362 7.498 -24.759 1.00 0.00 C ATOM 0 H ALA A 97 8.829 5.990 -22.518 1.00 0.00 H new ATOM 0 HA ALA A 97 9.106 8.671 -23.503 1.00 0.00 H new ATOM 0 HB1 ALA A 97 10.171 8.115 -25.637 1.00 0.00 H new ATOM 0 HB2 ALA A 97 11.277 7.833 -24.272 1.00 0.00 H new ATOM 0 HB3 ALA A 97 10.474 6.458 -25.064 1.00 0.00 H new ATOM 1558 N GLU A 98 7.297 8.117 -25.192 1.00 0.00 N ATOM 1559 CA GLU A 98 6.032 7.858 -25.856 1.00 0.00 C ATOM 1560 C GLU A 98 5.755 8.933 -26.909 1.00 0.00 C ATOM 1561 O GLU A 98 5.477 8.618 -28.065 1.00 0.00 O ATOM 1562 CB GLU A 98 4.888 7.773 -24.844 1.00 0.00 C ATOM 1563 CG GLU A 98 3.751 6.896 -25.373 1.00 0.00 C ATOM 1564 CD GLU A 98 2.515 6.999 -24.476 1.00 0.00 C ATOM 1565 OE1 GLU A 98 1.680 7.894 -24.673 1.00 0.00 O ATOM 1566 OE2 GLU A 98 2.440 6.107 -23.547 1.00 0.00 O ATOM 0 H GLU A 98 7.695 9.038 -25.377 1.00 0.00 H new ATOM 0 HA GLU A 98 6.099 6.893 -26.359 1.00 0.00 H new ATOM 0 HB2 GLU A 98 5.259 7.365 -23.904 1.00 0.00 H new ATOM 0 HB3 GLU A 98 4.511 8.773 -24.631 1.00 0.00 H new ATOM 0 HG2 GLU A 98 3.494 7.200 -26.388 1.00 0.00 H new ATOM 0 HG3 GLU A 98 4.081 5.859 -25.425 1.00 0.00 H new ATOM 1574 N VAL A 99 5.840 10.180 -26.470 1.00 0.00 N ATOM 1575 CA VAL A 99 5.603 11.304 -27.361 1.00 0.00 C ATOM 1576 C VAL A 99 6.751 11.404 -28.367 1.00 0.00 C ATOM 1577 O VAL A 99 7.919 11.315 -27.992 1.00 0.00 O ATOM 1578 CB VAL A 99 5.407 12.584 -26.546 1.00 0.00 C ATOM 1579 CG1 VAL A 99 4.189 12.470 -25.628 1.00 0.00 C ATOM 1580 CG2 VAL A 99 6.667 12.922 -25.746 1.00 0.00 C ATOM 0 H VAL A 99 6.069 10.437 -25.510 1.00 0.00 H new ATOM 0 HA VAL A 99 4.686 11.154 -27.931 1.00 0.00 H new ATOM 0 HB VAL A 99 5.224 13.401 -27.244 1.00 0.00 H new ATOM 0 HG11 VAL A 99 4.073 13.393 -25.061 1.00 0.00 H new ATOM 0 HG12 VAL A 99 3.296 12.299 -26.228 1.00 0.00 H new ATOM 0 HG13 VAL A 99 4.329 11.636 -24.940 1.00 0.00 H new ATOM 0 HG21 VAL A 99 6.502 13.836 -25.176 1.00 0.00 H new ATOM 0 HG22 VAL A 99 6.895 12.104 -25.063 1.00 0.00 H new ATOM 0 HG23 VAL A 99 7.504 13.067 -26.429 1.00 0.00 H new ATOM 1590 N ALA A 100 6.378 11.590 -29.625 1.00 0.00 N ATOM 1591 CA ALA A 100 7.363 11.703 -30.688 1.00 0.00 C ATOM 1592 C ALA A 100 6.659 12.091 -31.990 1.00 0.00 C ATOM 1593 O ALA A 100 5.431 12.074 -32.064 1.00 0.00 O ATOM 1594 CB ALA A 100 8.134 10.387 -30.811 1.00 0.00 C ATOM 0 H ALA A 100 5.408 11.665 -29.932 1.00 0.00 H new ATOM 0 HA ALA A 100 8.087 12.485 -30.459 1.00 0.00 H new ATOM 0 HB1 ALA A 100 8.873 10.471 -31.608 1.00 0.00 H new ATOM 0 HB2 ALA A 100 8.639 10.172 -29.869 1.00 0.00 H new ATOM 0 HB3 ALA A 100 7.440 9.579 -31.043 1.00 0.00 H new ATOM 1600 N GLU A 101 7.467 12.430 -32.983 1.00 0.00 N ATOM 1601 CA GLU A 101 6.937 12.822 -34.278 1.00 0.00 C ATOM 1602 C GLU A 101 7.770 12.201 -35.402 1.00 0.00 C ATOM 1603 O GLU A 101 8.890 11.747 -35.171 1.00 0.00 O ATOM 1604 CB GLU A 101 6.885 14.345 -34.411 1.00 0.00 C ATOM 1605 CG GLU A 101 5.831 14.769 -35.436 1.00 0.00 C ATOM 1606 CD GLU A 101 5.221 16.123 -35.066 1.00 0.00 C ATOM 1607 OE1 GLU A 101 4.224 16.174 -34.330 1.00 0.00 O ATOM 1608 OE2 GLU A 101 5.821 17.147 -35.571 1.00 0.00 O ATOM 0 H GLU A 101 8.485 12.441 -32.917 1.00 0.00 H new ATOM 0 HA GLU A 101 5.916 12.448 -34.360 1.00 0.00 H new ATOM 0 HB2 GLU A 101 6.656 14.791 -33.443 1.00 0.00 H new ATOM 0 HB3 GLU A 101 7.863 14.721 -34.712 1.00 0.00 H new ATOM 0 HG2 GLU A 101 6.284 14.828 -36.426 1.00 0.00 H new ATOM 0 HG3 GLU A 101 5.046 14.015 -35.489 1.00 0.00 H new ATOM 1616 N GLU A 102 7.190 12.201 -36.594 1.00 0.00 N ATOM 1617 CA GLU A 102 7.865 11.644 -37.754 1.00 0.00 C ATOM 1618 C GLU A 102 8.924 12.619 -38.271 1.00 0.00 C ATOM 1619 O GLU A 102 9.518 13.366 -37.495 1.00 0.00 O ATOM 1620 CB GLU A 102 6.861 11.289 -38.853 1.00 0.00 C ATOM 1621 CG GLU A 102 6.200 12.548 -39.418 1.00 0.00 C ATOM 1622 CD GLU A 102 5.403 12.226 -40.684 1.00 0.00 C ATOM 1623 OE1 GLU A 102 4.202 11.928 -40.602 1.00 0.00 O ATOM 1624 OE2 GLU A 102 6.075 12.296 -41.784 1.00 0.00 O ATOM 0 H GLU A 102 6.261 12.578 -36.781 1.00 0.00 H new ATOM 0 HA GLU A 102 8.365 10.723 -37.453 1.00 0.00 H new ATOM 0 HB2 GLU A 102 7.368 10.749 -39.653 1.00 0.00 H new ATOM 0 HB3 GLU A 102 6.098 10.622 -38.452 1.00 0.00 H new ATOM 0 HG2 GLU A 102 5.539 12.984 -38.669 1.00 0.00 H new ATOM 0 HG3 GLU A 102 6.962 13.294 -39.643 1.00 0.00 H new TER 1632 GLU A 102