USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 541 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 Single : A 3 ASN : amide:sc= -0.244 K(o=-0.24,f=-2.6!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.114 K(o=-0.11,f=-2!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -165:sc=-0.00299 (180deg=-0.13) USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.0045 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 161:sc= -0.0187 (180deg=-0.216) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.0275 X(o=-0.028,f=-0.028) USER MOD Single : A 29 SER OG : rot 49:sc= 0.0914 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 163:sc=-0.00726 (180deg=-0.115) USER MOD Single : A 42 SER OG : rot -80:sc= 0.97 USER MOD Single : A 50 ASN : amide:sc= -0.312 K(o=-0.31,f=-3.9) USER MOD Single : A 51 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0736) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl 156:sc= -0.0784 (180deg=-0.454) USER MOD Single : A 61 LYS NZ :NH3+ -121:sc= -0.172 (180deg=-1.17) USER MOD Single : A 62 GLN : amide:sc= -0.302 X(o=-0.3,f=-0.31) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 1.341 0.000 0.000 1.00 3.00 N ATOM 2 CA PRO A 1 2.133 -0.001 -1.234 1.00 11.02 C ATOM 3 C PRO A 1 2.035 -1.325 -1.984 1.00 43.11 C ATOM 4 O PRO A 1 1.637 -2.342 -1.417 1.00 73.52 O ATOM 5 CB PRO A 1 3.563 0.229 -0.738 1.00 32.50 C ATOM 6 CG PRO A 1 3.564 -0.277 0.663 1.00 34.23 C ATOM 7 CD PRO A 1 2.188 0.000 1.204 1.00 4.45 C ATOM 0 H2 PRO A 1 0.734 -0.820 0.013 1.00 3.00 H new ATOM 0 H3 PRO A 1 0.735 0.820 0.013 1.00 3.00 H new ATOM 0 HA PRO A 1 1.787 0.752 -1.942 1.00 11.02 H new ATOM 0 HB2 PRO A 1 4.286 -0.307 -1.353 1.00 32.50 H new ATOM 0 HB3 PRO A 1 3.831 1.285 -0.778 1.00 32.50 H new ATOM 0 HG2 PRO A 1 3.788 -1.343 0.693 1.00 34.23 H new ATOM 0 HG3 PRO A 1 4.326 0.225 1.259 1.00 34.23 H new ATOM 0 HD2 PRO A 1 1.875 -0.764 1.915 1.00 4.45 H new ATOM 0 HD3 PRO A 1 2.146 0.957 1.725 1.00 4.45 H new ATOM 15 N ARG A 2 2.402 -1.304 -3.261 1.00 70.34 N ATOM 16 CA ARG A 2 2.355 -2.504 -4.089 1.00 52.52 C ATOM 17 C ARG A 2 3.656 -2.678 -4.867 1.00 74.54 C ATOM 18 O ARG A 2 3.641 -2.972 -6.062 1.00 31.42 O ATOM 19 CB ARG A 2 1.173 -2.434 -5.059 1.00 5.44 C ATOM 20 CG ARG A 2 1.091 -1.123 -5.824 1.00 75.11 C ATOM 21 CD ARG A 2 0.314 -1.284 -7.122 1.00 30.04 C ATOM 22 NE ARG A 2 -1.039 -1.783 -6.891 1.00 53.54 N ATOM 23 CZ ARG A 2 -2.044 -1.018 -6.479 1.00 1.34 C ATOM 24 NH1 ARG A 2 -1.848 0.274 -6.252 1.00 75.04 N ATOM 25 NH2 ARG A 2 -3.247 -1.545 -6.292 1.00 12.22 N ATOM 0 H ARG A 2 2.735 -0.470 -3.745 1.00 70.34 H new ATOM 0 HA ARG A 2 2.227 -3.364 -3.432 1.00 52.52 H new ATOM 0 HB2 ARG A 2 1.248 -3.256 -5.771 1.00 5.44 H new ATOM 0 HB3 ARG A 2 0.247 -2.579 -4.502 1.00 5.44 H new ATOM 0 HG2 ARG A 2 0.611 -0.367 -5.203 1.00 75.11 H new ATOM 0 HG3 ARG A 2 2.097 -0.764 -6.043 1.00 75.11 H new ATOM 0 HD2 ARG A 2 0.264 -0.324 -7.636 1.00 30.04 H new ATOM 0 HD3 ARG A 2 0.846 -1.971 -7.780 1.00 30.04 H new ATOM 0 HE ARG A 2 -1.222 -2.773 -7.055 1.00 53.54 H new ATOM 0 HH11 ARG A 2 -0.924 0.682 -6.394 1.00 75.04 H new ATOM 0 HH12 ARG A 2 -2.621 0.859 -5.936 1.00 75.04 H new ATOM 0 HH21 ARG A 2 -3.401 -2.538 -6.465 1.00 12.22 H new ATOM 0 HH22 ARG A 2 -4.018 -0.957 -5.976 1.00 12.22 H new ATOM 39 N ASN A 3 4.779 -2.495 -4.181 1.00 51.12 N ATOM 40 CA ASN A 3 6.089 -2.631 -4.808 1.00 74.32 C ATOM 41 C ASN A 3 7.034 -3.439 -3.924 1.00 13.02 C ATOM 42 O ASN A 3 7.653 -4.403 -4.375 1.00 31.21 O ATOM 43 CB ASN A 3 6.689 -1.252 -5.089 1.00 73.22 C ATOM 44 CG ASN A 3 6.459 -0.279 -3.950 1.00 11.45 C ATOM 45 OD1 ASN A 3 7.172 -0.301 -2.946 1.00 53.10 O ATOM 46 ND2 ASN A 3 5.459 0.583 -4.100 1.00 22.42 N ATOM 0 H ASN A 3 4.809 -2.252 -3.191 1.00 51.12 H new ATOM 0 HA ASN A 3 5.959 -3.162 -5.751 1.00 74.32 H new ATOM 0 HB2 ASN A 3 7.760 -1.354 -5.266 1.00 73.22 H new ATOM 0 HB3 ASN A 3 6.252 -0.848 -6.002 1.00 73.22 H new ATOM 0 HD21 ASN A 3 5.257 1.262 -3.366 1.00 22.42 H new ATOM 0 HD22 ASN A 3 4.894 0.566 -4.949 1.00 22.42 H new ATOM 53 N THR A 4 7.140 -3.039 -2.660 1.00 72.13 N ATOM 54 CA THR A 4 8.009 -3.724 -1.712 1.00 60.32 C ATOM 55 C THR A 4 7.499 -5.130 -1.415 1.00 50.22 C ATOM 56 O THR A 4 8.270 -6.014 -1.040 1.00 53.44 O ATOM 57 CB THR A 4 8.125 -2.942 -0.390 1.00 62.51 C ATOM 58 OG1 THR A 4 8.857 -3.711 0.571 1.00 64.21 O ATOM 59 CG2 THR A 4 6.748 -2.608 0.163 1.00 3.14 C ATOM 0 H THR A 4 6.634 -2.244 -2.270 1.00 72.13 H new ATOM 0 HA THR A 4 8.994 -3.788 -2.175 1.00 60.32 H new ATOM 0 HB THR A 4 8.655 -2.011 -0.589 1.00 62.51 H new ATOM 0 HG1 THR A 4 8.928 -3.207 1.408 1.00 64.21 H new ATOM 0 HG21 THR A 4 6.855 -2.056 1.097 1.00 3.14 H new ATOM 0 HG22 THR A 4 6.204 -1.999 -0.559 1.00 3.14 H new ATOM 0 HG23 THR A 4 6.197 -3.530 0.348 1.00 3.14 H new ATOM 67 N ARG A 5 6.196 -5.330 -1.585 1.00 42.35 N ATOM 68 CA ARG A 5 5.583 -6.629 -1.335 1.00 5.31 C ATOM 69 C ARG A 5 6.322 -7.732 -2.087 1.00 31.34 C ATOM 70 O ARG A 5 6.442 -8.855 -1.598 1.00 73.34 O ATOM 71 CB ARG A 5 4.111 -6.611 -1.751 1.00 3.34 C ATOM 72 CG ARG A 5 3.295 -7.743 -1.149 1.00 13.30 C ATOM 73 CD ARG A 5 1.809 -7.417 -1.146 1.00 22.41 C ATOM 74 NE ARG A 5 1.202 -7.618 -2.459 1.00 22.41 N ATOM 75 CZ ARG A 5 0.883 -8.812 -2.946 1.00 63.41 C ATOM 76 NH1 ARG A 5 1.112 -9.906 -2.232 1.00 61.04 N ATOM 77 NH2 ARG A 5 0.334 -8.914 -4.150 1.00 12.04 N ATOM 0 H ARG A 5 5.545 -4.609 -1.895 1.00 42.35 H new ATOM 0 HA ARG A 5 5.649 -6.834 -0.267 1.00 5.31 H new ATOM 0 HB2 ARG A 5 3.670 -5.659 -1.455 1.00 3.34 H new ATOM 0 HB3 ARG A 5 4.048 -6.667 -2.838 1.00 3.34 H new ATOM 0 HG2 ARG A 5 3.467 -8.658 -1.715 1.00 13.30 H new ATOM 0 HG3 ARG A 5 3.629 -7.932 -0.129 1.00 13.30 H new ATOM 0 HD2 ARG A 5 1.302 -8.044 -0.412 1.00 22.41 H new ATOM 0 HD3 ARG A 5 1.665 -6.382 -0.835 1.00 22.41 H new ATOM 0 HE ARG A 5 1.013 -6.797 -3.033 1.00 22.41 H new ATOM 0 HH11 ARG A 5 1.534 -9.832 -1.306 1.00 61.04 H new ATOM 0 HH12 ARG A 5 0.866 -10.821 -2.608 1.00 61.04 H new ATOM 0 HH21 ARG A 5 0.157 -8.075 -4.702 1.00 12.04 H new ATOM 0 HH22 ARG A 5 0.089 -9.831 -4.523 1.00 12.04 H new ATOM 91 N GLU A 6 6.814 -7.403 -3.277 1.00 21.40 N ATOM 92 CA GLU A 6 7.539 -8.368 -4.096 1.00 2.41 C ATOM 93 C GLU A 6 8.739 -8.930 -3.340 1.00 5.02 C ATOM 94 O GLU A 6 9.008 -10.131 -3.383 1.00 50.44 O ATOM 95 CB GLU A 6 8.004 -7.715 -5.400 1.00 31.52 C ATOM 96 CG GLU A 6 6.883 -7.052 -6.182 1.00 12.44 C ATOM 97 CD GLU A 6 5.752 -8.008 -6.507 1.00 24.41 C ATOM 98 OE1 GLU A 6 5.039 -8.424 -5.569 1.00 41.44 O ATOM 99 OE2 GLU A 6 5.581 -8.342 -7.698 1.00 20.32 O ATOM 0 H GLU A 6 6.724 -6.477 -3.695 1.00 21.40 H new ATOM 0 HA GLU A 6 6.862 -9.189 -4.330 1.00 2.41 H new ATOM 0 HB2 GLU A 6 8.766 -6.970 -5.172 1.00 31.52 H new ATOM 0 HB3 GLU A 6 8.475 -8.472 -6.027 1.00 31.52 H new ATOM 0 HG2 GLU A 6 6.491 -6.214 -5.607 1.00 12.44 H new ATOM 0 HG3 GLU A 6 7.285 -6.642 -7.109 1.00 12.44 H new ATOM 106 N VAL A 7 9.459 -8.053 -2.647 1.00 11.21 N ATOM 107 CA VAL A 7 10.630 -8.460 -1.880 1.00 63.54 C ATOM 108 C VAL A 7 10.310 -9.645 -0.976 1.00 21.21 C ATOM 109 O VAL A 7 11.071 -10.610 -0.906 1.00 63.42 O ATOM 110 CB VAL A 7 11.169 -7.302 -1.020 1.00 33.24 C ATOM 111 CG1 VAL A 7 12.401 -7.741 -0.244 1.00 63.21 C ATOM 112 CG2 VAL A 7 11.478 -6.092 -1.888 1.00 62.55 C ATOM 0 H VAL A 7 9.251 -7.055 -2.601 1.00 11.21 H new ATOM 0 HA VAL A 7 11.394 -8.752 -2.600 1.00 63.54 H new ATOM 0 HB VAL A 7 10.400 -7.018 -0.302 1.00 33.24 H new ATOM 0 HG11 VAL A 7 12.767 -6.909 0.358 1.00 63.21 H new ATOM 0 HG12 VAL A 7 12.142 -8.575 0.409 1.00 63.21 H new ATOM 0 HG13 VAL A 7 13.178 -8.054 -0.942 1.00 63.21 H new ATOM 0 HG21 VAL A 7 11.858 -5.284 -1.263 1.00 62.55 H new ATOM 0 HG22 VAL A 7 12.229 -6.360 -2.631 1.00 62.55 H new ATOM 0 HG23 VAL A 7 10.569 -5.764 -2.392 1.00 62.55 H new ATOM 122 N PHE A 8 9.178 -9.566 -0.284 1.00 42.43 N ATOM 123 CA PHE A 8 8.757 -10.631 0.617 1.00 34.43 C ATOM 124 C PHE A 8 8.550 -11.938 -0.144 1.00 12.41 C ATOM 125 O PHE A 8 8.765 -13.023 0.395 1.00 54.03 O ATOM 126 CB PHE A 8 7.465 -10.238 1.338 1.00 43.13 C ATOM 127 CG PHE A 8 7.664 -9.190 2.395 1.00 23.02 C ATOM 128 CD1 PHE A 8 7.880 -7.867 2.046 1.00 11.30 C ATOM 129 CD2 PHE A 8 7.636 -9.529 3.739 1.00 42.45 C ATOM 130 CE1 PHE A 8 8.063 -6.900 3.017 1.00 50.23 C ATOM 131 CE2 PHE A 8 7.818 -8.566 4.713 1.00 22.15 C ATOM 132 CZ PHE A 8 8.033 -7.250 4.352 1.00 21.42 C ATOM 0 H PHE A 8 8.536 -8.775 -0.331 1.00 42.43 H new ATOM 0 HA PHE A 8 9.546 -10.781 1.354 1.00 34.43 H new ATOM 0 HB2 PHE A 8 6.746 -9.872 0.605 1.00 43.13 H new ATOM 0 HB3 PHE A 8 7.029 -11.126 1.796 1.00 43.13 H new ATOM 0 HD1 PHE A 8 7.906 -7.588 1.003 1.00 11.30 H new ATOM 0 HD2 PHE A 8 7.470 -10.556 4.028 1.00 42.45 H new ATOM 0 HE1 PHE A 8 8.229 -5.872 2.731 1.00 50.23 H new ATOM 0 HE2 PHE A 8 7.792 -8.842 5.757 1.00 22.15 H new ATOM 0 HZ PHE A 8 8.177 -6.497 5.112 1.00 21.42 H new ATOM 142 N ALA A 9 8.131 -11.824 -1.400 1.00 13.51 N ATOM 143 CA ALA A 9 7.896 -12.994 -2.236 1.00 70.02 C ATOM 144 C ALA A 9 9.210 -13.579 -2.743 1.00 31.23 C ATOM 145 O ALA A 9 9.289 -14.765 -3.060 1.00 61.55 O ATOM 146 CB ALA A 9 6.991 -12.635 -3.405 1.00 53.41 C ATOM 0 H ALA A 9 7.947 -10.933 -1.861 1.00 13.51 H new ATOM 0 HA ALA A 9 7.402 -13.751 -1.627 1.00 70.02 H new ATOM 0 HB1 ALA A 9 6.824 -13.519 -4.021 1.00 53.41 H new ATOM 0 HB2 ALA A 9 6.036 -12.271 -3.027 1.00 53.41 H new ATOM 0 HB3 ALA A 9 7.464 -11.858 -4.006 1.00 53.41 H new ATOM 152 N GLN A 10 10.237 -12.739 -2.816 1.00 23.23 N ATOM 153 CA GLN A 10 11.547 -13.174 -3.285 1.00 63.54 C ATOM 154 C GLN A 10 12.014 -14.412 -2.526 1.00 5.31 C ATOM 155 O GLN A 10 12.508 -15.369 -3.122 1.00 34.41 O ATOM 156 CB GLN A 10 12.570 -12.048 -3.127 1.00 14.34 C ATOM 157 CG GLN A 10 13.765 -12.175 -4.058 1.00 14.24 C ATOM 158 CD GLN A 10 14.460 -10.849 -4.299 1.00 72.41 C ATOM 159 OE1 GLN A 10 13.938 -9.789 -3.952 1.00 23.42 O ATOM 160 NE2 GLN A 10 15.644 -10.902 -4.897 1.00 62.22 N ATOM 0 H GLN A 10 10.187 -11.754 -2.557 1.00 23.23 H new ATOM 0 HA GLN A 10 11.460 -13.429 -4.341 1.00 63.54 H new ATOM 0 HB2 GLN A 10 12.078 -11.093 -3.310 1.00 14.34 H new ATOM 0 HB3 GLN A 10 12.924 -12.032 -2.096 1.00 14.34 H new ATOM 0 HG2 GLN A 10 14.477 -12.883 -3.634 1.00 14.24 H new ATOM 0 HG3 GLN A 10 13.436 -12.587 -5.012 1.00 14.24 H new ATOM 0 HE21 GLN A 10 16.039 -11.803 -5.167 1.00 62.22 H new ATOM 0 HE22 GLN A 10 16.159 -10.042 -5.086 1.00 62.22 H new ATOM 169 N VAL A 11 11.856 -14.385 -1.206 1.00 43.23 N ATOM 170 CA VAL A 11 12.261 -15.505 -0.365 1.00 2.42 C ATOM 171 C VAL A 11 11.630 -16.807 -0.843 1.00 22.53 C ATOM 172 O VAL A 11 12.201 -17.885 -0.674 1.00 33.40 O ATOM 173 CB VAL A 11 11.874 -15.269 1.107 1.00 21.13 C ATOM 174 CG1 VAL A 11 10.362 -15.280 1.270 1.00 12.41 C ATOM 175 CG2 VAL A 11 12.522 -16.315 2.002 1.00 42.10 C ATOM 0 H VAL A 11 11.451 -13.600 -0.696 1.00 43.23 H new ATOM 0 HA VAL A 11 13.346 -15.582 -0.440 1.00 2.42 H new ATOM 0 HB VAL A 11 12.241 -14.288 1.408 1.00 21.13 H new ATOM 0 HG11 VAL A 11 10.108 -15.112 2.316 1.00 12.41 H new ATOM 0 HG12 VAL A 11 9.924 -14.491 0.659 1.00 12.41 H new ATOM 0 HG13 VAL A 11 9.969 -16.246 0.952 1.00 12.41 H new ATOM 0 HG21 VAL A 11 12.238 -16.133 3.039 1.00 42.10 H new ATOM 0 HG22 VAL A 11 12.187 -17.308 1.703 1.00 42.10 H new ATOM 0 HG23 VAL A 11 13.606 -16.254 1.907 1.00 42.10 H new ATOM 185 N LYS A 12 10.449 -16.702 -1.441 1.00 54.50 N ATOM 186 CA LYS A 12 9.739 -17.871 -1.946 1.00 54.42 C ATOM 187 C LYS A 12 10.539 -18.559 -3.047 1.00 74.14 C ATOM 188 O LYS A 12 10.423 -19.768 -3.246 1.00 63.15 O ATOM 189 CB LYS A 12 8.362 -17.466 -2.478 1.00 72.32 C ATOM 190 CG LYS A 12 7.313 -18.556 -2.340 1.00 54.24 C ATOM 191 CD LYS A 12 5.908 -18.002 -2.513 1.00 60.43 C ATOM 192 CE LYS A 12 4.853 -19.041 -2.164 1.00 51.14 C ATOM 193 NZ LYS A 12 4.697 -20.057 -3.242 1.00 53.41 N ATOM 0 H LYS A 12 9.962 -15.818 -1.588 1.00 54.50 H new ATOM 0 HA LYS A 12 9.611 -18.572 -1.122 1.00 54.42 H new ATOM 0 HB2 LYS A 12 8.023 -16.577 -1.946 1.00 72.32 H new ATOM 0 HB3 LYS A 12 8.454 -17.192 -3.529 1.00 72.32 H new ATOM 0 HG2 LYS A 12 7.493 -19.332 -3.084 1.00 54.24 H new ATOM 0 HG3 LYS A 12 7.402 -19.026 -1.361 1.00 54.24 H new ATOM 0 HD2 LYS A 12 5.781 -17.125 -1.878 1.00 60.43 H new ATOM 0 HD3 LYS A 12 5.770 -17.673 -3.543 1.00 60.43 H new ATOM 0 HE2 LYS A 12 5.127 -19.538 -1.233 1.00 51.14 H new ATOM 0 HE3 LYS A 12 3.898 -18.545 -1.991 1.00 51.14 H new ATOM 0 HZ1 LYS A 12 3.969 -20.747 -2.966 1.00 53.41 H new ATOM 0 HZ2 LYS A 12 4.411 -19.586 -4.124 1.00 53.41 H new ATOM 0 HZ3 LYS A 12 5.602 -20.548 -3.389 1.00 53.41 H new ATOM 207 N GLN A 13 11.350 -17.782 -3.758 1.00 14.22 N ATOM 208 CA GLN A 13 12.169 -18.318 -4.838 1.00 31.51 C ATOM 209 C GLN A 13 13.029 -19.477 -4.345 1.00 32.43 C ATOM 210 O GLN A 13 13.374 -20.376 -5.111 1.00 25.31 O ATOM 211 CB GLN A 13 13.059 -17.221 -5.425 1.00 33.41 C ATOM 212 CG GLN A 13 13.764 -17.631 -6.708 1.00 32.33 C ATOM 213 CD GLN A 13 12.925 -17.371 -7.943 1.00 41.14 C ATOM 214 OE1 GLN A 13 12.044 -18.159 -8.287 1.00 61.43 O ATOM 215 NE2 GLN A 13 13.195 -16.260 -8.619 1.00 71.11 N ATOM 0 H GLN A 13 11.457 -16.779 -3.605 1.00 14.22 H new ATOM 0 HA GLN A 13 11.502 -18.689 -5.616 1.00 31.51 H new ATOM 0 HB2 GLN A 13 12.451 -16.338 -5.621 1.00 33.41 H new ATOM 0 HB3 GLN A 13 13.806 -16.936 -4.685 1.00 33.41 H new ATOM 0 HG2 GLN A 13 14.705 -17.087 -6.791 1.00 32.33 H new ATOM 0 HG3 GLN A 13 14.013 -18.691 -6.659 1.00 32.33 H new ATOM 0 HE21 GLN A 13 13.934 -15.635 -8.298 1.00 71.11 H new ATOM 0 HE22 GLN A 13 12.663 -16.032 -9.459 1.00 71.11 H new ATOM 224 N MET A 14 13.371 -19.449 -3.061 1.00 31.42 N ATOM 225 CA MET A 14 14.190 -20.499 -2.465 1.00 41.25 C ATOM 226 C MET A 14 13.392 -21.789 -2.311 1.00 30.45 C ATOM 227 O MET A 14 12.829 -22.059 -1.249 1.00 53.43 O ATOM 228 CB MET A 14 14.723 -20.049 -1.104 1.00 43.50 C ATOM 229 CG MET A 14 16.015 -20.740 -0.698 1.00 50.35 C ATOM 230 SD MET A 14 16.779 -19.989 0.752 1.00 51.42 S ATOM 231 CE MET A 14 16.445 -21.235 1.994 1.00 1.01 C ATOM 0 H MET A 14 13.094 -18.711 -2.413 1.00 31.42 H new ATOM 0 HA MET A 14 15.032 -20.691 -3.131 1.00 41.25 H new ATOM 0 HB2 MET A 14 14.888 -18.972 -1.126 1.00 43.50 H new ATOM 0 HB3 MET A 14 13.964 -20.240 -0.345 1.00 43.50 H new ATOM 0 HG2 MET A 14 15.811 -21.791 -0.493 1.00 50.35 H new ATOM 0 HG3 MET A 14 16.717 -20.708 -1.531 1.00 50.35 H new ATOM 0 HE1 MET A 14 16.857 -20.915 2.951 1.00 1.01 H new ATOM 0 HE2 MET A 14 15.368 -21.373 2.091 1.00 1.01 H new ATOM 0 HE3 MET A 14 16.906 -22.177 1.697 1.00 1.01 H new ATOM 241 N TYR A 15 13.348 -22.584 -3.374 1.00 54.54 N ATOM 242 CA TYR A 15 12.616 -23.845 -3.357 1.00 10.41 C ATOM 243 C TYR A 15 13.489 -24.988 -3.864 1.00 63.20 C ATOM 244 O TYR A 15 13.413 -25.374 -5.031 1.00 10.32 O ATOM 245 CB TYR A 15 11.351 -23.737 -4.211 1.00 4.44 C ATOM 246 CG TYR A 15 10.273 -24.722 -3.822 1.00 75.11 C ATOM 247 CD1 TYR A 15 10.488 -26.091 -3.918 1.00 61.51 C ATOM 248 CD2 TYR A 15 9.038 -24.284 -3.360 1.00 75.31 C ATOM 249 CE1 TYR A 15 9.505 -26.996 -3.565 1.00 2.21 C ATOM 250 CE2 TYR A 15 8.049 -25.181 -3.003 1.00 65.33 C ATOM 251 CZ TYR A 15 8.288 -26.536 -3.108 1.00 11.13 C ATOM 252 OH TYR A 15 7.306 -27.433 -2.755 1.00 13.43 O ATOM 0 H TYR A 15 13.811 -22.377 -4.259 1.00 54.54 H new ATOM 0 HA TYR A 15 12.333 -24.057 -2.326 1.00 10.41 H new ATOM 0 HB2 TYR A 15 10.953 -22.725 -4.130 1.00 4.44 H new ATOM 0 HB3 TYR A 15 11.614 -23.894 -5.257 1.00 4.44 H new ATOM 0 HD1 TYR A 15 11.440 -26.455 -4.275 1.00 61.51 H new ATOM 0 HD2 TYR A 15 8.848 -23.224 -3.278 1.00 75.31 H new ATOM 0 HE1 TYR A 15 9.689 -28.057 -3.647 1.00 2.21 H new ATOM 0 HE2 TYR A 15 7.095 -24.824 -2.644 1.00 65.33 H new ATOM 0 HH TYR A 15 6.511 -26.946 -2.453 1.00 13.43 H new ATOM 262 N LYS A 16 14.319 -25.528 -2.978 1.00 4.31 N ATOM 263 CA LYS A 16 15.207 -26.629 -3.332 1.00 2.21 C ATOM 264 C LYS A 16 14.411 -27.831 -3.831 1.00 3.42 C ATOM 265 O LYS A 16 14.067 -28.725 -3.058 1.00 34.04 O ATOM 266 CB LYS A 16 16.059 -27.032 -2.126 1.00 74.51 C ATOM 267 CG LYS A 16 16.936 -25.910 -1.598 1.00 35.53 C ATOM 268 CD LYS A 16 18.078 -26.447 -0.751 1.00 53.12 C ATOM 269 CE LYS A 16 17.629 -26.732 0.674 1.00 61.32 C ATOM 270 NZ LYS A 16 17.415 -25.479 1.449 1.00 21.24 N ATOM 0 H LYS A 16 14.395 -25.221 -2.008 1.00 4.31 H new ATOM 0 HA LYS A 16 15.862 -26.291 -4.135 1.00 2.21 H new ATOM 0 HB2 LYS A 16 15.402 -27.375 -1.327 1.00 74.51 H new ATOM 0 HB3 LYS A 16 16.691 -27.876 -2.404 1.00 74.51 H new ATOM 0 HG2 LYS A 16 17.339 -25.338 -2.434 1.00 35.53 H new ATOM 0 HG3 LYS A 16 16.332 -25.224 -1.004 1.00 35.53 H new ATOM 0 HD2 LYS A 16 18.467 -27.360 -1.200 1.00 53.12 H new ATOM 0 HD3 LYS A 16 18.894 -25.725 -0.739 1.00 53.12 H new ATOM 0 HE2 LYS A 16 16.705 -27.310 0.655 1.00 61.32 H new ATOM 0 HE3 LYS A 16 18.378 -27.345 1.175 1.00 61.32 H new ATOM 0 HZ1 LYS A 16 17.361 -25.703 2.463 1.00 21.24 H new ATOM 0 HZ2 LYS A 16 18.207 -24.827 1.280 1.00 21.24 H new ATOM 0 HZ3 LYS A 16 16.527 -25.031 1.146 1.00 21.24 H new ATOM 284 N THR A 17 14.123 -27.847 -5.129 1.00 0.54 N ATOM 285 CA THR A 17 13.368 -28.938 -5.731 1.00 24.45 C ATOM 286 C THR A 17 14.162 -30.240 -5.696 1.00 52.53 C ATOM 287 O THR A 17 13.729 -31.244 -5.132 1.00 35.30 O ATOM 288 CB THR A 17 12.987 -28.621 -7.189 1.00 4.11 C ATOM 289 OG1 THR A 17 13.506 -27.340 -7.563 1.00 11.41 O ATOM 290 CG2 THR A 17 11.477 -28.635 -7.369 1.00 11.52 C ATOM 0 H THR A 17 14.402 -27.116 -5.783 1.00 0.54 H new ATOM 0 HA THR A 17 12.457 -29.054 -5.143 1.00 24.45 H new ATOM 0 HB THR A 17 13.420 -29.389 -7.830 1.00 4.11 H new ATOM 0 HG1 THR A 17 13.261 -27.146 -8.492 1.00 11.41 H new ATOM 0 HG21 THR A 17 11.232 -28.408 -8.407 1.00 11.52 H new ATOM 0 HG22 THR A 17 11.089 -29.621 -7.111 1.00 11.52 H new ATOM 0 HG23 THR A 17 11.026 -27.886 -6.718 1.00 11.52 H new ATOM 298 N PRO A 18 15.353 -30.224 -6.313 1.00 52.22 N ATOM 299 CA PRO A 18 16.233 -31.395 -6.366 1.00 34.12 C ATOM 300 C PRO A 18 16.832 -31.731 -5.005 1.00 22.43 C ATOM 301 O PRO A 18 16.730 -30.949 -4.059 1.00 24.21 O ATOM 302 CB PRO A 18 17.331 -30.970 -7.344 1.00 31.13 C ATOM 303 CG PRO A 18 17.352 -29.483 -7.266 1.00 42.52 C ATOM 304 CD PRO A 18 15.932 -29.061 -7.006 1.00 64.04 C ATOM 0 HA PRO A 18 15.697 -32.294 -6.671 1.00 34.12 H new ATOM 0 HB2 PRO A 18 18.295 -31.395 -7.066 1.00 31.13 H new ATOM 0 HB3 PRO A 18 17.113 -31.310 -8.356 1.00 31.13 H new ATOM 0 HG2 PRO A 18 18.012 -29.144 -6.468 1.00 42.52 H new ATOM 0 HG3 PRO A 18 17.724 -29.049 -8.194 1.00 42.52 H new ATOM 0 HD2 PRO A 18 15.886 -28.162 -6.391 1.00 64.04 H new ATOM 0 HD3 PRO A 18 15.402 -28.840 -7.933 1.00 64.04 H new ATOM 312 N THR A 19 17.459 -32.900 -4.911 1.00 74.35 N ATOM 313 CA THR A 19 18.074 -33.340 -3.666 1.00 21.41 C ATOM 314 C THR A 19 19.488 -32.788 -3.526 1.00 50.01 C ATOM 315 O THR A 19 20.232 -32.703 -4.504 1.00 60.21 O ATOM 316 CB THR A 19 18.124 -34.877 -3.576 1.00 65.34 C ATOM 317 OG1 THR A 19 17.007 -35.445 -4.269 1.00 31.24 O ATOM 318 CG2 THR A 19 18.115 -35.336 -2.126 1.00 1.51 C ATOM 0 H THR A 19 17.554 -33.559 -5.684 1.00 74.35 H new ATOM 0 HA THR A 19 17.455 -32.956 -2.855 1.00 21.41 H new ATOM 0 HB THR A 19 19.050 -35.216 -4.041 1.00 65.34 H new ATOM 0 HG1 THR A 19 17.047 -36.422 -4.209 1.00 31.24 H new ATOM 0 HG21 THR A 19 18.151 -36.425 -2.089 1.00 1.51 H new ATOM 0 HG22 THR A 19 18.983 -34.926 -1.609 1.00 1.51 H new ATOM 0 HG23 THR A 19 17.205 -34.986 -1.639 1.00 1.51 H new ATOM 326 N LEU A 20 19.854 -32.414 -2.305 1.00 53.31 N ATOM 327 CA LEU A 20 21.180 -31.870 -2.037 1.00 4.41 C ATOM 328 C LEU A 20 21.991 -32.818 -1.159 1.00 14.22 C ATOM 329 O LEU A 20 21.833 -32.839 0.062 1.00 14.20 O ATOM 330 CB LEU A 20 21.065 -30.503 -1.360 1.00 43.41 C ATOM 331 CG LEU A 20 21.939 -29.390 -1.941 1.00 25.54 C ATOM 332 CD1 LEU A 20 23.392 -29.835 -2.010 1.00 42.22 C ATOM 333 CD2 LEU A 20 21.438 -28.982 -3.318 1.00 61.22 C ATOM 0 H LEU A 20 19.251 -32.478 -1.485 1.00 53.31 H new ATOM 0 HA LEU A 20 21.697 -31.755 -2.990 1.00 4.41 H new ATOM 0 HB2 LEU A 20 20.024 -30.183 -1.408 1.00 43.41 H new ATOM 0 HB3 LEU A 20 21.314 -30.620 -0.305 1.00 43.41 H new ATOM 0 HG LEU A 20 21.876 -28.523 -1.283 1.00 25.54 H new ATOM 0 HD11 LEU A 20 23.999 -29.031 -2.426 1.00 42.22 H new ATOM 0 HD12 LEU A 20 23.746 -30.077 -1.008 1.00 42.22 H new ATOM 0 HD13 LEU A 20 23.473 -30.717 -2.646 1.00 42.22 H new ATOM 0 HD21 LEU A 20 22.072 -28.189 -3.716 1.00 61.22 H new ATOM 0 HD22 LEU A 20 21.470 -29.842 -3.987 1.00 61.22 H new ATOM 0 HD23 LEU A 20 20.412 -28.622 -3.240 1.00 61.22 H new ATOM 345 N LYS A 21 22.861 -33.601 -1.788 1.00 54.51 N ATOM 346 CA LYS A 21 23.699 -34.549 -1.065 1.00 63.22 C ATOM 347 C LYS A 21 24.981 -33.881 -0.577 1.00 54.31 C ATOM 348 O LYS A 21 25.570 -34.300 0.419 1.00 23.11 O ATOM 349 CB LYS A 21 24.043 -35.742 -1.960 1.00 31.43 C ATOM 350 CG LYS A 21 22.823 -36.480 -2.484 1.00 64.43 C ATOM 351 CD LYS A 21 23.153 -37.288 -3.729 1.00 31.05 C ATOM 352 CE LYS A 21 23.699 -38.662 -3.373 1.00 24.14 C ATOM 353 NZ LYS A 21 22.643 -39.553 -2.818 1.00 13.43 N ATOM 0 H LYS A 21 23.004 -33.597 -2.798 1.00 54.51 H new ATOM 0 HA LYS A 21 23.141 -34.901 -0.198 1.00 63.22 H new ATOM 0 HB2 LYS A 21 24.637 -35.393 -2.805 1.00 31.43 H new ATOM 0 HB3 LYS A 21 24.666 -36.439 -1.399 1.00 31.43 H new ATOM 0 HG2 LYS A 21 22.438 -37.144 -1.710 1.00 64.43 H new ATOM 0 HG3 LYS A 21 22.033 -35.764 -2.712 1.00 64.43 H new ATOM 0 HD2 LYS A 21 22.257 -37.398 -4.340 1.00 31.05 H new ATOM 0 HD3 LYS A 21 23.885 -36.749 -4.330 1.00 31.05 H new ATOM 0 HE2 LYS A 21 24.132 -39.122 -4.261 1.00 24.14 H new ATOM 0 HE3 LYS A 21 24.503 -38.555 -2.645 1.00 24.14 H new ATOM 0 HZ1 LYS A 21 22.952 -40.543 -2.888 1.00 13.43 H new ATOM 0 HZ2 LYS A 21 22.475 -39.313 -1.820 1.00 13.43 H new ATOM 0 HZ3 LYS A 21 21.763 -39.426 -3.358 1.00 13.43 H new ATOM 367 N TYR A 22 25.405 -32.839 -1.283 1.00 51.14 N ATOM 368 CA TYR A 22 26.617 -32.113 -0.922 1.00 72.12 C ATOM 369 C TYR A 22 26.558 -31.643 0.528 1.00 25.10 C ATOM 370 O TYR A 22 27.589 -31.479 1.182 1.00 51.24 O ATOM 371 CB TYR A 22 26.814 -30.914 -1.851 1.00 42.11 C ATOM 372 CG TYR A 22 28.242 -30.419 -1.905 1.00 53.43 C ATOM 373 CD1 TYR A 22 28.541 -29.078 -1.697 1.00 54.42 C ATOM 374 CD2 TYR A 22 29.291 -31.291 -2.166 1.00 3.24 C ATOM 375 CE1 TYR A 22 29.843 -28.620 -1.746 1.00 63.24 C ATOM 376 CE2 TYR A 22 30.597 -30.843 -2.215 1.00 40.52 C ATOM 377 CZ TYR A 22 30.868 -29.506 -2.005 1.00 71.52 C ATOM 378 OH TYR A 22 32.167 -29.056 -2.055 1.00 41.23 O ATOM 0 H TYR A 22 24.927 -32.478 -2.109 1.00 51.14 H new ATOM 0 HA TYR A 22 27.463 -32.791 -1.031 1.00 72.12 H new ATOM 0 HB2 TYR A 22 26.495 -31.188 -2.857 1.00 42.11 H new ATOM 0 HB3 TYR A 22 26.168 -30.100 -1.522 1.00 42.11 H new ATOM 0 HD1 TYR A 22 27.741 -28.382 -1.493 1.00 54.42 H new ATOM 0 HD2 TYR A 22 29.082 -32.337 -2.334 1.00 3.24 H new ATOM 0 HE1 TYR A 22 30.057 -27.574 -1.582 1.00 63.24 H new ATOM 0 HE2 TYR A 22 31.401 -31.535 -2.416 1.00 40.52 H new ATOM 0 HH TYR A 22 32.766 -29.807 -2.247 1.00 41.23 H new ATOM 388 N PHE A 23 25.345 -31.429 1.025 1.00 11.23 N ATOM 389 CA PHE A 23 25.150 -30.977 2.398 1.00 20.42 C ATOM 390 C PHE A 23 24.870 -32.157 3.324 1.00 35.41 C ATOM 391 O PHE A 23 24.148 -32.028 4.312 1.00 0.51 O ATOM 392 CB PHE A 23 23.997 -29.974 2.469 1.00 41.13 C ATOM 393 CG PHE A 23 24.180 -28.924 3.528 1.00 73.45 C ATOM 394 CD1 PHE A 23 23.614 -29.082 4.782 1.00 12.44 C ATOM 395 CD2 PHE A 23 24.917 -27.780 3.268 1.00 70.43 C ATOM 396 CE1 PHE A 23 23.780 -28.118 5.759 1.00 2.22 C ATOM 397 CE2 PHE A 23 25.087 -26.814 4.241 1.00 42.45 C ATOM 398 CZ PHE A 23 24.517 -26.982 5.487 1.00 1.14 C ATOM 0 H PHE A 23 24.482 -31.561 0.498 1.00 11.23 H new ATOM 0 HA PHE A 23 26.067 -30.489 2.727 1.00 20.42 H new ATOM 0 HB2 PHE A 23 23.890 -29.487 1.500 1.00 41.13 H new ATOM 0 HB3 PHE A 23 23.069 -30.513 2.659 1.00 41.13 H new ATOM 0 HD1 PHE A 23 23.036 -29.968 4.999 1.00 12.44 H new ATOM 0 HD2 PHE A 23 25.363 -27.642 2.294 1.00 70.43 H new ATOM 0 HE1 PHE A 23 23.334 -28.253 6.733 1.00 2.22 H new ATOM 0 HE2 PHE A 23 25.666 -25.928 4.027 1.00 42.45 H new ATOM 0 HZ PHE A 23 24.647 -26.227 6.248 1.00 1.14 H new ATOM 408 N GLY A 24 25.446 -33.310 2.996 1.00 52.23 N ATOM 409 CA GLY A 24 25.246 -34.497 3.806 1.00 12.35 C ATOM 410 C GLY A 24 26.538 -35.244 4.069 1.00 2.13 C ATOM 411 O GLY A 24 27.485 -35.154 3.289 1.00 3.42 O ATOM 0 H GLY A 24 26.048 -33.443 2.183 1.00 52.23 H new ATOM 0 HA2 GLY A 24 24.794 -34.213 4.756 1.00 12.35 H new ATOM 0 HA3 GLY A 24 24.542 -35.161 3.305 1.00 12.35 H new ATOM 415 N GLY A 25 26.579 -35.984 5.173 1.00 14.45 N ATOM 416 CA GLY A 25 27.770 -36.737 5.518 1.00 30.05 C ATOM 417 C GLY A 25 27.702 -38.177 5.049 1.00 14.23 C ATOM 418 O GLY A 25 26.705 -38.864 5.274 1.00 51.23 O ATOM 0 H GLY A 25 25.808 -36.075 5.835 1.00 14.45 H new ATOM 0 HA2 GLY A 25 28.642 -36.255 5.076 1.00 30.05 H new ATOM 0 HA3 GLY A 25 27.909 -36.716 6.599 1.00 30.05 H new ATOM 422 N PHE A 26 28.763 -38.635 4.394 1.00 21.02 N ATOM 423 CA PHE A 26 28.819 -40.002 3.889 1.00 35.04 C ATOM 424 C PHE A 26 29.649 -40.889 4.812 1.00 65.22 C ATOM 425 O PHE A 26 30.323 -40.401 5.718 1.00 64.30 O ATOM 426 CB PHE A 26 29.407 -40.023 2.477 1.00 33.20 C ATOM 427 CG PHE A 26 30.716 -39.297 2.362 1.00 4.11 C ATOM 428 CD1 PHE A 26 31.870 -39.830 2.914 1.00 11.23 C ATOM 429 CD2 PHE A 26 30.794 -38.081 1.702 1.00 13.03 C ATOM 430 CE1 PHE A 26 33.077 -39.164 2.810 1.00 31.30 C ATOM 431 CE2 PHE A 26 31.998 -37.411 1.594 1.00 32.15 C ATOM 432 CZ PHE A 26 33.141 -37.953 2.150 1.00 15.21 C ATOM 0 H PHE A 26 29.596 -38.080 4.200 1.00 21.02 H new ATOM 0 HA PHE A 26 27.802 -40.393 3.857 1.00 35.04 H new ATOM 0 HB2 PHE A 26 29.546 -41.058 2.165 1.00 33.20 H new ATOM 0 HB3 PHE A 26 28.691 -39.576 1.787 1.00 33.20 H new ATOM 0 HD1 PHE A 26 31.826 -40.777 3.432 1.00 11.23 H new ATOM 0 HD2 PHE A 26 29.904 -37.652 1.267 1.00 13.03 H new ATOM 0 HE1 PHE A 26 33.969 -39.591 3.245 1.00 31.30 H new ATOM 0 HE2 PHE A 26 32.045 -36.465 1.076 1.00 32.15 H new ATOM 0 HZ PHE A 26 34.083 -37.430 2.068 1.00 15.21 H new ATOM 442 N ASN A 27 29.595 -42.196 4.574 1.00 52.44 N ATOM 443 CA ASN A 27 30.341 -43.152 5.383 1.00 20.01 C ATOM 444 C ASN A 27 31.818 -43.155 4.999 1.00 55.22 C ATOM 445 O ASN A 27 32.172 -43.441 3.855 1.00 52.21 O ATOM 446 CB ASN A 27 29.757 -44.557 5.218 1.00 11.53 C ATOM 447 CG ASN A 27 28.242 -44.563 5.279 1.00 73.32 C ATOM 448 OD1 ASN A 27 27.569 -44.692 4.256 1.00 40.12 O ATOM 449 ND2 ASN A 27 27.697 -44.424 6.482 1.00 62.20 N ATOM 0 H ASN A 27 29.042 -42.617 3.827 1.00 52.44 H new ATOM 0 HA ASN A 27 30.256 -42.850 6.427 1.00 20.01 H new ATOM 0 HB2 ASN A 27 30.081 -44.973 4.264 1.00 11.53 H new ATOM 0 HB3 ASN A 27 30.152 -45.206 5.999 1.00 11.53 H new ATOM 0 HD21 ASN A 27 26.682 -44.421 6.585 1.00 62.20 H new ATOM 0 HD22 ASN A 27 28.293 -44.320 7.303 1.00 62.20 H new ATOM 456 N PHE A 28 32.675 -42.835 5.963 1.00 73.04 N ATOM 457 CA PHE A 28 34.113 -42.800 5.726 1.00 62.12 C ATOM 458 C PHE A 28 34.651 -44.199 5.437 1.00 51.42 C ATOM 459 O PHE A 28 35.676 -44.357 4.774 1.00 52.53 O ATOM 460 CB PHE A 28 34.836 -42.203 6.935 1.00 62.20 C ATOM 461 CG PHE A 28 34.860 -43.114 8.129 1.00 71.10 C ATOM 462 CD1 PHE A 28 35.966 -43.907 8.390 1.00 35.30 C ATOM 463 CD2 PHE A 28 33.776 -43.178 8.990 1.00 2.40 C ATOM 464 CE1 PHE A 28 35.991 -44.746 9.488 1.00 32.32 C ATOM 465 CE2 PHE A 28 33.796 -44.014 10.090 1.00 71.32 C ATOM 466 CZ PHE A 28 34.904 -44.801 10.339 1.00 51.44 C ATOM 0 H PHE A 28 32.398 -42.596 6.915 1.00 73.04 H new ATOM 0 HA PHE A 28 34.297 -42.172 4.854 1.00 62.12 H new ATOM 0 HB2 PHE A 28 35.860 -41.961 6.652 1.00 62.20 H new ATOM 0 HB3 PHE A 28 34.352 -41.267 7.212 1.00 62.20 H new ATOM 0 HD1 PHE A 28 36.818 -43.869 7.728 1.00 35.30 H new ATOM 0 HD2 PHE A 28 32.906 -42.568 8.799 1.00 2.40 H new ATOM 0 HE1 PHE A 28 36.860 -45.358 9.681 1.00 32.32 H new ATOM 0 HE2 PHE A 28 32.946 -44.052 10.755 1.00 71.32 H new ATOM 0 HZ PHE A 28 34.920 -45.457 11.197 1.00 51.44 H new ATOM 476 N SER A 29 33.951 -45.211 5.940 1.00 5.32 N ATOM 477 CA SER A 29 34.360 -46.596 5.741 1.00 60.24 C ATOM 478 C SER A 29 33.964 -47.084 4.350 1.00 24.33 C ATOM 479 O SER A 29 34.633 -47.938 3.768 1.00 52.43 O ATOM 480 CB SER A 29 33.730 -47.494 6.807 1.00 25.41 C ATOM 481 OG SER A 29 34.569 -47.600 7.945 1.00 61.25 O ATOM 0 H SER A 29 33.098 -45.097 6.488 1.00 5.32 H new ATOM 0 HA SER A 29 35.445 -46.645 5.830 1.00 60.24 H new ATOM 0 HB2 SER A 29 32.762 -47.090 7.102 1.00 25.41 H new ATOM 0 HB3 SER A 29 33.549 -48.485 6.391 1.00 25.41 H new ATOM 0 HG SER A 29 34.861 -46.706 8.220 1.00 61.25 H new ATOM 487 N GLN A 30 32.873 -46.536 3.826 1.00 41.11 N ATOM 488 CA GLN A 30 32.387 -46.916 2.505 1.00 45.35 C ATOM 489 C GLN A 30 33.366 -46.481 1.419 1.00 44.50 C ATOM 490 O GLN A 30 33.369 -47.028 0.316 1.00 32.42 O ATOM 491 CB GLN A 30 31.013 -46.297 2.246 1.00 53.00 C ATOM 492 CG GLN A 30 30.457 -46.604 0.865 1.00 62.33 C ATOM 493 CD GLN A 30 29.100 -45.972 0.627 1.00 1.44 C ATOM 494 OE1 GLN A 30 28.965 -44.748 0.625 1.00 52.31 O ATOM 495 NE2 GLN A 30 28.086 -46.804 0.426 1.00 74.31 N ATOM 0 H GLN A 30 32.309 -45.828 4.296 1.00 41.11 H new ATOM 0 HA GLN A 30 32.300 -48.002 2.477 1.00 45.35 H new ATOM 0 HB2 GLN A 30 30.313 -46.659 2.999 1.00 53.00 H new ATOM 0 HB3 GLN A 30 31.082 -45.216 2.369 1.00 53.00 H new ATOM 0 HG2 GLN A 30 31.157 -46.248 0.109 1.00 62.33 H new ATOM 0 HG3 GLN A 30 30.377 -47.684 0.742 1.00 62.33 H new ATOM 0 HE21 GLN A 30 28.243 -47.812 0.436 1.00 74.31 H new ATOM 0 HE22 GLN A 30 27.149 -46.436 0.261 1.00 74.31 H new ATOM 504 N ILE A 31 34.196 -45.493 1.739 1.00 53.25 N ATOM 505 CA ILE A 31 35.180 -44.985 0.790 1.00 35.24 C ATOM 506 C ILE A 31 36.563 -45.560 1.074 1.00 44.34 C ATOM 507 O ILE A 31 37.580 -44.963 0.718 1.00 43.33 O ATOM 508 CB ILE A 31 35.257 -43.447 0.829 1.00 72.55 C ATOM 509 CG1 ILE A 31 35.655 -42.970 2.227 1.00 52.45 C ATOM 510 CG2 ILE A 31 33.925 -42.840 0.414 1.00 1.32 C ATOM 511 CD1 ILE A 31 36.067 -41.515 2.273 1.00 14.23 C ATOM 0 H ILE A 31 34.207 -45.029 2.647 1.00 53.25 H new ATOM 0 HA ILE A 31 34.855 -45.299 -0.202 1.00 35.24 H new ATOM 0 HB ILE A 31 36.019 -43.117 0.123 1.00 72.55 H new ATOM 0 HG12 ILE A 31 34.817 -43.124 2.907 1.00 52.45 H new ATOM 0 HG13 ILE A 31 36.478 -43.584 2.591 1.00 52.45 H new ATOM 0 HG21 ILE A 31 33.995 -41.753 0.446 1.00 1.32 H new ATOM 0 HG22 ILE A 31 33.680 -43.158 -0.600 1.00 1.32 H new ATOM 0 HG23 ILE A 31 33.144 -43.174 1.097 1.00 1.32 H new ATOM 0 HD11 ILE A 31 36.336 -41.245 3.294 1.00 14.23 H new ATOM 0 HD12 ILE A 31 36.925 -41.359 1.619 1.00 14.23 H new ATOM 0 HD13 ILE A 31 35.238 -40.891 1.939 1.00 14.23 H new ATOM 523 N LEU A 32 36.595 -46.723 1.714 1.00 10.13 N ATOM 524 CA LEU A 32 37.855 -47.381 2.044 1.00 14.21 C ATOM 525 C LEU A 32 38.413 -48.125 0.835 1.00 31.25 C ATOM 526 O LEU A 32 37.681 -48.526 -0.070 1.00 43.42 O ATOM 527 CB LEU A 32 37.656 -48.353 3.209 1.00 54.54 C ATOM 528 CG LEU A 32 37.173 -49.755 2.837 1.00 33.14 C ATOM 529 CD1 LEU A 32 38.355 -50.678 2.587 1.00 43.23 C ATOM 530 CD2 LEU A 32 36.277 -50.318 3.932 1.00 44.23 C ATOM 0 H LEU A 32 35.763 -47.230 2.015 1.00 10.13 H new ATOM 0 HA LEU A 32 38.571 -46.614 2.338 1.00 14.21 H new ATOM 0 HB2 LEU A 32 38.601 -48.446 3.744 1.00 54.54 H new ATOM 0 HB3 LEU A 32 36.938 -47.915 3.903 1.00 54.54 H new ATOM 0 HG LEU A 32 36.591 -49.686 1.918 1.00 33.14 H new ATOM 0 HD11 LEU A 32 37.992 -51.671 2.324 1.00 43.23 H new ATOM 0 HD12 LEU A 32 38.958 -50.284 1.769 1.00 43.23 H new ATOM 0 HD13 LEU A 32 38.964 -50.742 3.489 1.00 43.23 H new ATOM 0 HD21 LEU A 32 35.942 -51.316 3.651 1.00 44.23 H new ATOM 0 HD22 LEU A 32 36.835 -50.372 4.867 1.00 44.23 H new ATOM 0 HD23 LEU A 32 35.411 -49.669 4.063 1.00 44.23 H new ATOM 542 N PRO A 33 39.740 -48.318 0.820 1.00 3.31 N ATOM 543 CA PRO A 33 40.426 -49.018 -0.270 1.00 40.32 C ATOM 544 C PRO A 33 40.111 -50.509 -0.290 1.00 73.52 C ATOM 545 O PRO A 33 40.596 -51.268 0.549 1.00 4.43 O ATOM 546 CB PRO A 33 41.908 -48.788 0.038 1.00 72.42 C ATOM 547 CG PRO A 33 41.958 -48.563 1.509 1.00 4.25 C ATOM 548 CD PRO A 33 40.674 -47.867 1.866 1.00 33.52 C ATOM 0 HA PRO A 33 40.118 -48.650 -1.249 1.00 40.32 H new ATOM 0 HB2 PRO A 33 42.511 -49.649 -0.252 1.00 72.42 H new ATOM 0 HB3 PRO A 33 42.297 -47.928 -0.508 1.00 72.42 H new ATOM 0 HG2 PRO A 33 42.052 -49.507 2.045 1.00 4.25 H new ATOM 0 HG3 PRO A 33 42.820 -47.955 1.782 1.00 4.25 H new ATOM 0 HD2 PRO A 33 40.328 -48.147 2.861 1.00 33.52 H new ATOM 0 HD3 PRO A 33 40.790 -46.783 1.862 1.00 33.52 H new ATOM 556 N SER A 34 39.295 -50.924 -1.254 1.00 60.41 N ATOM 557 CA SER A 34 38.912 -52.326 -1.381 1.00 43.22 C ATOM 558 C SER A 34 39.235 -52.853 -2.776 1.00 40.31 C ATOM 559 O SER A 34 38.348 -53.118 -3.588 1.00 22.32 O ATOM 560 CB SER A 34 37.420 -52.497 -1.092 1.00 31.15 C ATOM 561 OG SER A 34 37.102 -53.855 -0.839 1.00 51.22 O ATOM 0 H SER A 34 38.886 -50.310 -1.958 1.00 60.41 H new ATOM 0 HA SER A 34 39.484 -52.901 -0.653 1.00 43.22 H new ATOM 0 HB2 SER A 34 37.141 -51.888 -0.232 1.00 31.15 H new ATOM 0 HB3 SER A 34 36.838 -52.136 -1.940 1.00 31.15 H new ATOM 0 HG SER A 34 36.143 -53.938 -0.656 1.00 51.22 H new ATOM 567 N PRO A 35 40.536 -53.008 -3.063 1.00 21.04 N ATOM 568 CA PRO A 35 41.007 -53.505 -4.359 1.00 4.32 C ATOM 569 C PRO A 35 40.685 -54.981 -4.566 1.00 40.41 C ATOM 570 O PRO A 35 41.075 -55.830 -3.764 1.00 70.43 O ATOM 571 CB PRO A 35 42.522 -53.293 -4.291 1.00 11.35 C ATOM 572 CG PRO A 35 42.841 -53.308 -2.835 1.00 63.05 C ATOM 573 CD PRO A 35 41.647 -52.711 -2.143 1.00 63.21 C ATOM 0 HA PRO A 35 40.527 -52.990 -5.191 1.00 4.32 H new ATOM 0 HB2 PRO A 35 43.056 -54.081 -4.822 1.00 11.35 H new ATOM 0 HB3 PRO A 35 42.811 -52.347 -4.750 1.00 11.35 H new ATOM 0 HG2 PRO A 35 43.026 -54.324 -2.487 1.00 63.05 H new ATOM 0 HG3 PRO A 35 43.742 -52.731 -2.627 1.00 63.05 H new ATOM 0 HD2 PRO A 35 41.486 -53.157 -1.162 1.00 63.21 H new ATOM 0 HD3 PRO A 35 41.766 -51.638 -1.990 1.00 63.21 H new ATOM 581 N LEU A 36 39.972 -55.279 -5.646 1.00 74.41 N ATOM 582 CA LEU A 36 39.597 -56.654 -5.959 1.00 70.04 C ATOM 583 C LEU A 36 40.494 -57.228 -7.051 1.00 42.45 C ATOM 584 O LEU A 36 41.339 -56.526 -7.608 1.00 62.21 O ATOM 585 CB LEU A 36 38.134 -56.717 -6.401 1.00 14.25 C ATOM 586 CG LEU A 36 37.134 -55.971 -5.517 1.00 15.34 C ATOM 587 CD1 LEU A 36 35.830 -55.737 -6.265 1.00 23.02 C ATOM 588 CD2 LEU A 36 36.881 -56.742 -4.229 1.00 53.13 C ATOM 0 H LEU A 36 39.642 -54.588 -6.320 1.00 74.41 H new ATOM 0 HA LEU A 36 39.724 -57.253 -5.057 1.00 70.04 H new ATOM 0 HB2 LEU A 36 38.063 -56.317 -7.413 1.00 14.25 H new ATOM 0 HB3 LEU A 36 37.835 -57.764 -6.450 1.00 14.25 H new ATOM 0 HG LEU A 36 37.560 -55.001 -5.259 1.00 15.34 H new ATOM 0 HD11 LEU A 36 35.131 -55.205 -5.620 1.00 23.02 H new ATOM 0 HD12 LEU A 36 36.024 -55.143 -7.158 1.00 23.02 H new ATOM 0 HD13 LEU A 36 35.399 -56.696 -6.554 1.00 23.02 H new ATOM 0 HD21 LEU A 36 36.167 -56.196 -3.612 1.00 53.13 H new ATOM 0 HD22 LEU A 36 36.477 -57.726 -4.467 1.00 53.13 H new ATOM 0 HD23 LEU A 36 37.818 -56.857 -3.684 1.00 53.13 H new ATOM 600 N LYS A 37 40.304 -58.507 -7.355 1.00 53.02 N ATOM 601 CA LYS A 37 41.092 -59.175 -8.383 1.00 65.53 C ATOM 602 C LYS A 37 40.263 -59.404 -9.643 1.00 0.21 C ATOM 603 O LYS A 37 39.032 -59.381 -9.617 1.00 43.23 O ATOM 604 CB LYS A 37 41.623 -60.512 -7.860 1.00 34.23 C ATOM 605 CG LYS A 37 43.057 -60.446 -7.364 1.00 13.52 C ATOM 606 CD LYS A 37 43.277 -61.360 -6.170 1.00 41.24 C ATOM 607 CE LYS A 37 43.290 -60.579 -4.865 1.00 64.11 C ATOM 608 NZ LYS A 37 43.852 -61.382 -3.744 1.00 32.41 N ATOM 0 H LYS A 37 39.610 -59.102 -6.903 1.00 53.02 H new ATOM 0 HA LYS A 37 41.934 -58.530 -8.635 1.00 65.53 H new ATOM 0 HB2 LYS A 37 40.982 -60.855 -7.048 1.00 34.23 H new ATOM 0 HB3 LYS A 37 41.556 -61.255 -8.654 1.00 34.23 H new ATOM 0 HG2 LYS A 37 43.735 -60.729 -8.169 1.00 13.52 H new ATOM 0 HG3 LYS A 37 43.301 -59.420 -7.088 1.00 13.52 H new ATOM 0 HD2 LYS A 37 42.489 -62.113 -6.137 1.00 41.24 H new ATOM 0 HD3 LYS A 37 44.221 -61.892 -6.287 1.00 41.24 H new ATOM 0 HE2 LYS A 37 43.878 -59.670 -4.991 1.00 64.11 H new ATOM 0 HE3 LYS A 37 42.275 -60.269 -4.617 1.00 64.11 H new ATOM 0 HZ1 LYS A 37 43.844 -60.815 -2.872 1.00 32.41 H new ATOM 0 HZ2 LYS A 37 43.276 -62.237 -3.606 1.00 32.41 H new ATOM 0 HZ3 LYS A 37 44.830 -61.656 -3.969 1.00 32.41 H new ATOM 622 N PRO A 38 40.950 -59.631 -10.772 1.00 44.10 N ATOM 623 CA PRO A 38 40.297 -59.870 -12.062 1.00 52.02 C ATOM 624 C PRO A 38 39.583 -61.217 -12.110 1.00 1.32 C ATOM 625 O PRO A 38 40.176 -62.256 -11.819 1.00 33.32 O ATOM 626 CB PRO A 38 41.459 -59.845 -13.058 1.00 54.05 C ATOM 627 CG PRO A 38 42.655 -60.224 -12.255 1.00 53.41 C ATOM 628 CD PRO A 38 42.419 -59.672 -10.876 1.00 73.51 C ATOM 0 HA PRO A 38 39.523 -59.131 -12.270 1.00 52.02 H new ATOM 0 HB2 PRO A 38 41.294 -60.545 -13.877 1.00 54.05 H new ATOM 0 HB3 PRO A 38 41.578 -58.857 -13.503 1.00 54.05 H new ATOM 0 HG2 PRO A 38 42.779 -61.307 -12.226 1.00 53.41 H new ATOM 0 HG3 PRO A 38 43.565 -59.811 -12.691 1.00 53.41 H new ATOM 0 HD2 PRO A 38 42.859 -60.308 -10.108 1.00 73.51 H new ATOM 0 HD3 PRO A 38 42.858 -58.681 -10.759 1.00 73.51 H new ATOM 636 N THR A 39 38.306 -61.192 -12.479 1.00 1.00 N ATOM 637 CA THR A 39 37.511 -62.411 -12.564 1.00 44.40 C ATOM 638 C THR A 39 37.769 -63.145 -13.875 1.00 50.40 C ATOM 639 O THR A 39 37.595 -64.360 -13.963 1.00 24.43 O ATOM 640 CB THR A 39 36.006 -62.109 -12.445 1.00 54.21 C ATOM 641 OG1 THR A 39 35.793 -61.030 -11.528 1.00 42.53 O ATOM 642 CG2 THR A 39 35.243 -63.338 -11.975 1.00 32.03 C ATOM 0 H THR A 39 37.800 -60.341 -12.724 1.00 1.00 H new ATOM 0 HA THR A 39 37.814 -63.045 -11.730 1.00 44.40 H new ATOM 0 HB THR A 39 35.636 -61.826 -13.431 1.00 54.21 H new ATOM 0 HG1 THR A 39 34.833 -60.843 -11.460 1.00 42.53 H new ATOM 0 HG21 THR A 39 34.182 -63.100 -11.898 1.00 32.03 H new ATOM 0 HG22 THR A 39 35.383 -64.149 -12.690 1.00 32.03 H new ATOM 0 HG23 THR A 39 35.617 -63.647 -10.999 1.00 32.03 H new ATOM 650 N LYS A 40 38.185 -62.399 -14.893 1.00 71.12 N ATOM 651 CA LYS A 40 38.469 -62.979 -16.201 1.00 10.34 C ATOM 652 C LYS A 40 39.515 -64.084 -16.090 1.00 52.44 C ATOM 653 O LYS A 40 39.579 -64.977 -16.935 1.00 32.00 O ATOM 654 CB LYS A 40 38.955 -61.896 -17.167 1.00 4.04 C ATOM 655 CG LYS A 40 38.051 -60.677 -17.219 1.00 50.12 C ATOM 656 CD LYS A 40 38.324 -59.833 -18.453 1.00 11.11 C ATOM 657 CE LYS A 40 37.282 -60.073 -19.535 1.00 30.45 C ATOM 658 NZ LYS A 40 35.959 -59.497 -19.168 1.00 34.42 N ATOM 0 H LYS A 40 38.333 -61.391 -14.838 1.00 71.12 H new ATOM 0 HA LYS A 40 37.547 -63.414 -16.587 1.00 10.34 H new ATOM 0 HB2 LYS A 40 39.957 -61.583 -16.874 1.00 4.04 H new ATOM 0 HB3 LYS A 40 39.034 -62.322 -18.167 1.00 4.04 H new ATOM 0 HG2 LYS A 40 37.009 -60.996 -17.218 1.00 50.12 H new ATOM 0 HG3 LYS A 40 38.201 -60.073 -16.324 1.00 50.12 H new ATOM 0 HD2 LYS A 40 38.329 -58.778 -18.179 1.00 11.11 H new ATOM 0 HD3 LYS A 40 39.315 -60.066 -18.843 1.00 11.11 H new ATOM 0 HE2 LYS A 40 37.623 -59.632 -20.472 1.00 30.45 H new ATOM 0 HE3 LYS A 40 37.177 -61.144 -19.707 1.00 30.45 H new ATOM 0 HZ1 LYS A 40 35.366 -59.420 -20.019 1.00 34.42 H new ATOM 0 HZ2 LYS A 40 35.492 -60.115 -18.475 1.00 34.42 H new ATOM 0 HZ3 LYS A 40 36.094 -58.553 -18.754 1.00 34.42 H new ATOM 672 N ARG A 41 40.331 -64.017 -15.044 1.00 22.11 N ATOM 673 CA ARG A 41 41.374 -65.012 -14.824 1.00 34.24 C ATOM 674 C ARG A 41 40.775 -66.411 -14.710 1.00 73.13 C ATOM 675 O ARG A 41 41.351 -67.385 -15.195 1.00 13.01 O ATOM 676 CB ARG A 41 42.165 -64.681 -13.557 1.00 45.24 C ATOM 677 CG ARG A 41 43.331 -65.623 -13.304 1.00 44.52 C ATOM 678 CD ARG A 41 44.502 -64.898 -12.658 1.00 62.42 C ATOM 679 NE ARG A 41 45.092 -65.673 -11.570 1.00 30.41 N ATOM 680 CZ ARG A 41 44.583 -65.725 -10.344 1.00 54.41 C ATOM 681 NH1 ARG A 41 43.479 -65.050 -10.052 1.00 44.34 N ATOM 682 NH2 ARG A 41 45.177 -66.452 -9.407 1.00 71.53 N ATOM 0 H ARG A 41 40.290 -63.284 -14.335 1.00 22.11 H new ATOM 0 HA ARG A 41 42.047 -64.991 -15.681 1.00 34.24 H new ATOM 0 HB2 ARG A 41 42.542 -63.661 -13.630 1.00 45.24 H new ATOM 0 HB3 ARG A 41 41.492 -64.711 -12.700 1.00 45.24 H new ATOM 0 HG2 ARG A 41 43.007 -66.440 -12.659 1.00 44.52 H new ATOM 0 HG3 ARG A 41 43.652 -66.068 -14.246 1.00 44.52 H new ATOM 0 HD2 ARG A 41 45.263 -64.694 -13.412 1.00 62.42 H new ATOM 0 HD3 ARG A 41 44.165 -63.934 -12.276 1.00 62.42 H new ATOM 0 HE ARG A 41 45.942 -66.204 -11.762 1.00 30.41 H new ATOM 0 HH11 ARG A 41 43.019 -64.490 -10.769 1.00 44.34 H new ATOM 0 HH12 ARG A 41 43.090 -65.091 -9.110 1.00 44.34 H new ATOM 0 HH21 ARG A 41 46.026 -66.972 -9.627 1.00 71.53 H new ATOM 0 HH22 ARG A 41 44.785 -66.491 -8.466 1.00 71.53 H new ATOM 696 N SER A 42 39.615 -66.502 -14.067 1.00 24.45 N ATOM 697 CA SER A 42 38.940 -67.782 -13.886 1.00 23.34 C ATOM 698 C SER A 42 38.493 -68.355 -15.227 1.00 61.10 C ATOM 699 O SER A 42 37.412 -68.036 -15.722 1.00 50.21 O ATOM 700 CB SER A 42 37.733 -67.620 -12.960 1.00 3.23 C ATOM 701 OG SER A 42 36.751 -66.783 -13.545 1.00 11.34 O ATOM 0 H SER A 42 39.123 -65.705 -13.663 1.00 24.45 H new ATOM 0 HA SER A 42 39.647 -68.476 -13.432 1.00 23.34 H new ATOM 0 HB2 SER A 42 37.301 -68.598 -12.746 1.00 3.23 H new ATOM 0 HB3 SER A 42 38.055 -67.198 -12.008 1.00 3.23 H new ATOM 0 HG SER A 42 37.011 -65.845 -13.432 1.00 11.34 H new ATOM 707 N PHE A 43 39.333 -69.203 -15.811 1.00 22.44 N ATOM 708 CA PHE A 43 39.026 -69.821 -17.095 1.00 63.05 C ATOM 709 C PHE A 43 38.038 -70.971 -16.924 1.00 54.41 C ATOM 710 O PHE A 43 37.246 -71.261 -17.821 1.00 53.12 O ATOM 711 CB PHE A 43 40.307 -70.330 -17.760 1.00 4.04 C ATOM 712 CG PHE A 43 41.387 -69.290 -17.854 1.00 24.51 C ATOM 713 CD1 PHE A 43 41.171 -68.108 -18.543 1.00 62.33 C ATOM 714 CD2 PHE A 43 42.619 -69.496 -17.254 1.00 2.14 C ATOM 715 CE1 PHE A 43 42.163 -67.149 -18.632 1.00 32.42 C ATOM 716 CE2 PHE A 43 43.614 -68.541 -17.338 1.00 43.42 C ATOM 717 CZ PHE A 43 43.386 -67.366 -18.029 1.00 64.52 C ATOM 0 H PHE A 43 40.232 -69.478 -15.415 1.00 22.44 H new ATOM 0 HA PHE A 43 38.569 -69.064 -17.733 1.00 63.05 H new ATOM 0 HB2 PHE A 43 40.684 -71.184 -17.198 1.00 4.04 H new ATOM 0 HB3 PHE A 43 40.070 -70.687 -18.762 1.00 4.04 H new ATOM 0 HD1 PHE A 43 40.216 -67.933 -19.016 1.00 62.33 H new ATOM 0 HD2 PHE A 43 42.804 -70.413 -16.715 1.00 2.14 H new ATOM 0 HE1 PHE A 43 41.982 -66.232 -19.172 1.00 32.42 H new ATOM 0 HE2 PHE A 43 44.569 -68.713 -16.864 1.00 43.42 H new ATOM 0 HZ PHE A 43 44.163 -66.619 -18.097 1.00 64.52 H new ATOM 727 N ILE A 44 38.091 -71.621 -15.767 1.00 13.14 N ATOM 728 CA ILE A 44 37.200 -72.738 -15.477 1.00 42.11 C ATOM 729 C ILE A 44 35.744 -72.358 -15.724 1.00 20.42 C ATOM 730 O ILE A 44 34.988 -73.119 -16.327 1.00 63.13 O ATOM 731 CB ILE A 44 37.354 -73.218 -14.022 1.00 23.21 C ATOM 732 CG1 ILE A 44 38.811 -73.587 -13.735 1.00 63.02 C ATOM 733 CG2 ILE A 44 36.440 -74.405 -13.756 1.00 53.40 C ATOM 734 CD1 ILE A 44 39.354 -74.662 -14.651 1.00 11.12 C ATOM 0 H ILE A 44 38.741 -71.394 -15.015 1.00 13.14 H new ATOM 0 HA ILE A 44 37.481 -73.548 -16.150 1.00 42.11 H new ATOM 0 HB ILE A 44 37.066 -72.405 -13.355 1.00 23.21 H new ATOM 0 HG12 ILE A 44 39.429 -72.694 -13.830 1.00 63.02 H new ATOM 0 HG13 ILE A 44 38.895 -73.925 -12.702 1.00 63.02 H new ATOM 0 HG21 ILE A 44 36.560 -74.733 -12.723 1.00 53.40 H new ATOM 0 HG22 ILE A 44 35.404 -74.112 -13.925 1.00 53.40 H new ATOM 0 HG23 ILE A 44 36.700 -75.222 -14.429 1.00 53.40 H new ATOM 0 HD11 ILE A 44 40.391 -74.873 -14.390 1.00 11.12 H new ATOM 0 HD12 ILE A 44 38.760 -75.569 -14.539 1.00 11.12 H new ATOM 0 HD13 ILE A 44 39.302 -74.320 -15.685 1.00 11.12 H new ATOM 746 N GLU A 45 35.358 -71.176 -15.254 1.00 25.00 N ATOM 747 CA GLU A 45 33.992 -70.695 -15.425 1.00 25.30 C ATOM 748 C GLU A 45 33.603 -70.677 -16.900 1.00 51.13 C ATOM 749 O GLU A 45 32.428 -70.804 -17.245 1.00 13.24 O ATOM 750 CB GLU A 45 33.843 -69.294 -14.829 1.00 40.12 C ATOM 751 CG GLU A 45 34.163 -69.226 -13.345 1.00 43.05 C ATOM 752 CD GLU A 45 33.355 -70.215 -12.528 1.00 53.42 C ATOM 753 OE1 GLU A 45 33.920 -71.252 -12.124 1.00 64.21 O ATOM 754 OE2 GLU A 45 32.157 -69.951 -12.293 1.00 30.40 O ATOM 0 H GLU A 45 35.972 -70.534 -14.752 1.00 25.00 H new ATOM 0 HA GLU A 45 33.324 -71.378 -14.899 1.00 25.30 H new ATOM 0 HB2 GLU A 45 34.499 -68.609 -15.365 1.00 40.12 H new ATOM 0 HB3 GLU A 45 32.822 -68.947 -14.988 1.00 40.12 H new ATOM 0 HG2 GLU A 45 35.225 -69.420 -13.197 1.00 43.05 H new ATOM 0 HG3 GLU A 45 33.970 -68.217 -12.981 1.00 43.05 H new ATOM 761 N ASP A 46 34.597 -70.518 -17.767 1.00 2.54 N ATOM 762 CA ASP A 46 34.360 -70.483 -19.205 1.00 51.20 C ATOM 763 C ASP A 46 34.382 -71.890 -19.794 1.00 5.03 C ATOM 764 O ASP A 46 33.697 -72.174 -20.777 1.00 23.20 O ATOM 765 CB ASP A 46 35.410 -69.611 -19.896 1.00 14.33 C ATOM 766 CG ASP A 46 35.337 -68.161 -19.458 1.00 22.23 C ATOM 767 OD1 ASP A 46 36.232 -67.379 -19.842 1.00 23.40 O ATOM 768 OD2 ASP A 46 34.385 -67.808 -18.731 1.00 70.32 O ATOM 0 H ASP A 46 35.575 -70.411 -17.498 1.00 2.54 H new ATOM 0 HA ASP A 46 33.373 -70.053 -19.375 1.00 51.20 H new ATOM 0 HB2 ASP A 46 36.404 -70.003 -19.680 1.00 14.33 H new ATOM 0 HB3 ASP A 46 35.273 -69.669 -20.976 1.00 14.33 H new ATOM 773 N LEU A 47 35.175 -72.767 -19.187 1.00 12.21 N ATOM 774 CA LEU A 47 35.288 -74.145 -19.651 1.00 71.13 C ATOM 775 C LEU A 47 33.941 -74.857 -19.576 1.00 23.43 C ATOM 776 O LEU A 47 33.732 -75.883 -20.225 1.00 30.00 O ATOM 777 CB LEU A 47 36.325 -74.901 -18.819 1.00 0.01 C ATOM 778 CG LEU A 47 36.501 -76.383 -19.151 1.00 65.11 C ATOM 779 CD1 LEU A 47 36.961 -76.556 -20.590 1.00 61.44 C ATOM 780 CD2 LEU A 47 37.490 -77.031 -18.192 1.00 54.30 C ATOM 0 H LEU A 47 35.749 -72.548 -18.373 1.00 12.21 H new ATOM 0 HA LEU A 47 35.611 -74.127 -20.692 1.00 71.13 H new ATOM 0 HB2 LEU A 47 37.289 -74.406 -18.939 1.00 0.01 H new ATOM 0 HB3 LEU A 47 36.051 -74.815 -17.768 1.00 0.01 H new ATOM 0 HG LEU A 47 35.537 -76.878 -19.037 1.00 65.11 H new ATOM 0 HD11 LEU A 47 37.081 -77.617 -20.809 1.00 61.44 H new ATOM 0 HD12 LEU A 47 36.218 -76.129 -21.263 1.00 61.44 H new ATOM 0 HD13 LEU A 47 37.914 -76.046 -20.731 1.00 61.44 H new ATOM 0 HD21 LEU A 47 37.603 -78.086 -18.443 1.00 54.30 H new ATOM 0 HD22 LEU A 47 38.456 -76.533 -18.274 1.00 54.30 H new ATOM 0 HD23 LEU A 47 37.120 -76.939 -17.171 1.00 54.30 H new ATOM 792 N LEU A 48 33.030 -74.306 -18.781 1.00 64.42 N ATOM 793 CA LEU A 48 31.702 -74.888 -18.622 1.00 52.42 C ATOM 794 C LEU A 48 30.926 -74.840 -19.935 1.00 21.23 C ATOM 795 O LEU A 48 29.921 -75.532 -20.099 1.00 52.22 O ATOM 796 CB LEU A 48 30.927 -74.147 -17.531 1.00 54.44 C ATOM 797 CG LEU A 48 29.478 -74.588 -17.320 1.00 30.03 C ATOM 798 CD1 LEU A 48 29.419 -76.055 -16.924 1.00 64.45 C ATOM 799 CD2 LEU A 48 28.805 -73.722 -16.264 1.00 64.33 C ATOM 0 H LEU A 48 33.187 -73.458 -18.237 1.00 64.42 H new ATOM 0 HA LEU A 48 31.821 -75.931 -18.330 1.00 52.42 H new ATOM 0 HB2 LEU A 48 31.463 -74.265 -16.589 1.00 54.44 H new ATOM 0 HB3 LEU A 48 30.931 -73.083 -17.769 1.00 54.44 H new ATOM 0 HG LEU A 48 28.940 -74.464 -18.260 1.00 30.03 H new ATOM 0 HD11 LEU A 48 28.380 -76.351 -16.778 1.00 64.45 H new ATOM 0 HD12 LEU A 48 29.862 -76.663 -17.713 1.00 64.45 H new ATOM 0 HD13 LEU A 48 29.972 -76.204 -15.997 1.00 64.45 H new ATOM 0 HD21 LEU A 48 27.775 -74.050 -16.127 1.00 64.33 H new ATOM 0 HD22 LEU A 48 29.344 -73.814 -15.321 1.00 64.33 H new ATOM 0 HD23 LEU A 48 28.814 -72.681 -16.587 1.00 64.33 H new ATOM 811 N PHE A 49 31.401 -74.021 -20.867 1.00 72.23 N ATOM 812 CA PHE A 49 30.753 -73.884 -22.166 1.00 73.45 C ATOM 813 C PHE A 49 30.602 -75.243 -22.845 1.00 45.21 C ATOM 814 O PHE A 49 29.705 -75.444 -23.662 1.00 62.41 O ATOM 815 CB PHE A 49 31.555 -72.940 -23.063 1.00 40.54 C ATOM 816 CG PHE A 49 32.709 -73.606 -23.756 1.00 21.21 C ATOM 817 CD1 PHE A 49 33.735 -74.182 -23.024 1.00 11.34 C ATOM 818 CD2 PHE A 49 32.768 -73.657 -25.139 1.00 45.23 C ATOM 819 CE1 PHE A 49 34.798 -74.796 -23.658 1.00 23.33 C ATOM 820 CE2 PHE A 49 33.829 -74.270 -25.779 1.00 30.41 C ATOM 821 CZ PHE A 49 34.846 -74.840 -25.037 1.00 53.33 C ATOM 0 H PHE A 49 32.232 -73.442 -20.747 1.00 72.23 H new ATOM 0 HA PHE A 49 29.760 -73.465 -22.006 1.00 73.45 H new ATOM 0 HB2 PHE A 49 30.890 -72.512 -23.813 1.00 40.54 H new ATOM 0 HB3 PHE A 49 31.932 -72.113 -22.461 1.00 40.54 H new ATOM 0 HD1 PHE A 49 33.703 -74.151 -21.945 1.00 11.34 H new ATOM 0 HD2 PHE A 49 31.976 -73.213 -25.724 1.00 45.23 H new ATOM 0 HE1 PHE A 49 35.591 -75.241 -23.075 1.00 23.33 H new ATOM 0 HE2 PHE A 49 33.863 -74.303 -26.858 1.00 30.41 H new ATOM 0 HZ PHE A 49 35.676 -75.319 -25.535 1.00 53.33 H new ATOM 831 N ASN A 50 31.489 -76.171 -22.500 1.00 71.21 N ATOM 832 CA ASN A 50 31.456 -77.511 -23.076 1.00 44.52 C ATOM 833 C ASN A 50 30.112 -78.183 -22.815 1.00 52.53 C ATOM 834 O ASN A 50 29.674 -79.040 -23.583 1.00 23.23 O ATOM 835 CB ASN A 50 32.587 -78.365 -22.498 1.00 53.51 C ATOM 836 CG ASN A 50 32.326 -78.773 -21.061 1.00 74.23 C ATOM 837 OD1 ASN A 50 31.837 -77.979 -20.257 1.00 72.24 O ATOM 838 ND2 ASN A 50 32.652 -80.018 -20.732 1.00 12.43 N ATOM 0 H ASN A 50 32.239 -76.020 -21.825 1.00 71.21 H new ATOM 0 HA ASN A 50 31.593 -77.420 -24.154 1.00 44.52 H new ATOM 0 HB2 ASN A 50 32.713 -79.258 -23.109 1.00 53.51 H new ATOM 0 HB3 ASN A 50 33.523 -77.808 -22.551 1.00 53.51 H new ATOM 0 HD21 ASN A 50 32.499 -80.350 -19.780 1.00 12.43 H new ATOM 0 HD22 ASN A 50 33.055 -80.642 -21.432 1.00 12.43 H new ATOM 845 N LYS A 51 29.460 -77.786 -21.727 1.00 71.54 N ATOM 846 CA LYS A 51 28.164 -78.348 -21.365 1.00 0.35 C ATOM 847 C LYS A 51 27.028 -77.467 -21.874 1.00 13.44 C ATOM 848 O LYS A 51 26.002 -77.314 -21.210 1.00 41.01 O ATOM 849 CB LYS A 51 28.060 -78.505 -19.846 1.00 5.12 C ATOM 850 CG LYS A 51 27.082 -79.582 -19.411 1.00 61.31 C ATOM 851 CD LYS A 51 27.750 -80.945 -19.336 1.00 43.03 C ATOM 852 CE LYS A 51 28.473 -81.140 -18.012 1.00 52.41 C ATOM 853 NZ LYS A 51 27.522 -81.390 -16.893 1.00 64.23 N ATOM 0 H LYS A 51 29.808 -77.077 -21.081 1.00 71.54 H new ATOM 0 HA LYS A 51 28.078 -79.329 -21.833 1.00 0.35 H new ATOM 0 HB2 LYS A 51 29.046 -78.738 -19.445 1.00 5.12 H new ATOM 0 HB3 LYS A 51 27.756 -77.553 -19.411 1.00 5.12 H new ATOM 0 HG2 LYS A 51 26.667 -79.325 -18.436 1.00 61.31 H new ATOM 0 HG3 LYS A 51 26.248 -79.622 -20.112 1.00 61.31 H new ATOM 0 HD2 LYS A 51 27.000 -81.726 -19.461 1.00 43.03 H new ATOM 0 HD3 LYS A 51 28.459 -81.050 -20.158 1.00 43.03 H new ATOM 0 HE2 LYS A 51 29.164 -81.979 -18.096 1.00 52.41 H new ATOM 0 HE3 LYS A 51 29.070 -80.256 -17.790 1.00 52.41 H new ATOM 0 HZ1 LYS A 51 28.048 -81.717 -16.057 1.00 64.23 H new ATOM 0 HZ2 LYS A 51 27.018 -80.510 -16.663 1.00 64.23 H new ATOM 0 HZ3 LYS A 51 26.836 -82.118 -17.177 1.00 64.23 H new ATOM 867 N VAL A 52 27.217 -76.890 -23.056 1.00 55.42 N ATOM 868 CA VAL A 52 26.206 -76.026 -23.655 1.00 42.05 C ATOM 869 C VAL A 52 25.417 -76.767 -24.729 1.00 14.32 C ATOM 870 O VAL A 52 24.845 -76.153 -25.631 1.00 5.32 O ATOM 871 CB VAL A 52 26.841 -74.768 -24.277 1.00 13.40 C ATOM 872 CG1 VAL A 52 27.550 -75.114 -25.577 1.00 41.32 C ATOM 873 CG2 VAL A 52 25.785 -73.696 -24.505 1.00 30.31 C ATOM 0 H VAL A 52 28.060 -77.005 -23.618 1.00 55.42 H new ATOM 0 HA VAL A 52 25.531 -75.726 -22.854 1.00 42.05 H new ATOM 0 HB VAL A 52 27.582 -74.374 -23.581 1.00 13.40 H new ATOM 0 HG11 VAL A 52 27.992 -74.213 -26.001 1.00 41.32 H new ATOM 0 HG12 VAL A 52 28.334 -75.845 -25.380 1.00 41.32 H new ATOM 0 HG13 VAL A 52 26.832 -75.533 -26.282 1.00 41.32 H new ATOM 0 HG21 VAL A 52 26.251 -72.814 -24.945 1.00 30.31 H new ATOM 0 HG22 VAL A 52 25.019 -74.077 -25.181 1.00 30.31 H new ATOM 0 HG23 VAL A 52 25.327 -73.428 -23.553 1.00 30.31 H new ATOM 883 N THR A 53 25.387 -78.092 -24.626 1.00 4.22 N ATOM 884 CA THR A 53 24.668 -78.918 -25.588 1.00 4.44 C ATOM 885 C THR A 53 23.166 -78.879 -25.331 1.00 23.33 C ATOM 886 O THR A 53 22.364 -79.037 -26.252 1.00 42.11 O ATOM 887 CB THR A 53 25.148 -80.380 -25.542 1.00 25.51 C ATOM 888 OG1 THR A 53 26.561 -80.426 -25.311 1.00 11.54 O ATOM 889 CG2 THR A 53 24.819 -81.099 -26.842 1.00 1.04 C ATOM 0 H THR A 53 25.853 -78.616 -23.885 1.00 4.22 H new ATOM 0 HA THR A 53 24.875 -78.507 -26.576 1.00 4.44 H new ATOM 0 HB THR A 53 24.630 -80.883 -24.725 1.00 25.51 H new ATOM 0 HG1 THR A 53 26.857 -81.360 -25.282 1.00 11.54 H new ATOM 0 HG21 THR A 53 25.168 -82.130 -26.786 1.00 1.04 H new ATOM 0 HG22 THR A 53 23.741 -81.089 -27.001 1.00 1.04 H new ATOM 0 HG23 THR A 53 25.313 -80.594 -27.672 1.00 1.04 H new ATOM 897 N LEU A 54 22.791 -78.669 -24.074 1.00 1.51 N ATOM 898 CA LEU A 54 21.383 -78.609 -23.695 1.00 45.45 C ATOM 899 C LEU A 54 20.639 -77.573 -24.531 1.00 55.23 C ATOM 900 O LEU A 54 19.441 -77.707 -24.781 1.00 11.24 O ATOM 901 CB LEU A 54 21.248 -78.274 -22.209 1.00 5.10 C ATOM 902 CG LEU A 54 21.230 -79.466 -21.252 1.00 1.05 C ATOM 903 CD1 LEU A 54 19.940 -80.256 -21.408 1.00 22.32 C ATOM 904 CD2 LEU A 54 22.438 -80.360 -21.490 1.00 71.42 C ATOM 0 H LEU A 54 23.442 -78.537 -23.300 1.00 1.51 H new ATOM 0 HA LEU A 54 20.940 -79.587 -23.882 1.00 45.45 H new ATOM 0 HB2 LEU A 54 22.074 -77.620 -21.928 1.00 5.10 H new ATOM 0 HB3 LEU A 54 20.329 -77.706 -22.067 1.00 5.10 H new ATOM 0 HG LEU A 54 21.279 -79.088 -20.231 1.00 1.05 H new ATOM 0 HD11 LEU A 54 19.945 -81.101 -20.719 1.00 22.32 H new ATOM 0 HD12 LEU A 54 19.090 -79.611 -21.186 1.00 22.32 H new ATOM 0 HD13 LEU A 54 19.860 -80.623 -22.431 1.00 22.32 H new ATOM 0 HD21 LEU A 54 22.408 -81.203 -20.800 1.00 71.42 H new ATOM 0 HD22 LEU A 54 22.421 -80.730 -22.515 1.00 71.42 H new ATOM 0 HD23 LEU A 54 23.352 -79.789 -21.326 1.00 71.42 H new ATOM 916 N ALA A 55 21.356 -76.541 -24.963 1.00 65.11 N ATOM 917 CA ALA A 55 20.765 -75.485 -25.775 1.00 14.23 C ATOM 918 C ALA A 55 20.253 -76.034 -27.102 1.00 41.22 C ATOM 919 O ALA A 55 19.340 -75.472 -27.707 1.00 13.44 O ATOM 920 CB ALA A 55 21.777 -74.374 -26.015 1.00 74.43 C ATOM 0 H ALA A 55 22.348 -76.414 -24.764 1.00 65.11 H new ATOM 0 HA ALA A 55 19.915 -75.075 -25.230 1.00 14.23 H new ATOM 0 HB1 ALA A 55 21.322 -73.592 -26.623 1.00 74.43 H new ATOM 0 HB2 ALA A 55 22.090 -73.954 -25.059 1.00 74.43 H new ATOM 0 HB3 ALA A 55 22.645 -74.779 -26.535 1.00 74.43 H new ATOM 926 N ASP A 56 20.848 -77.134 -27.550 1.00 53.25 N ATOM 927 CA ASP A 56 20.452 -77.759 -28.807 1.00 34.10 C ATOM 928 C ASP A 56 19.401 -78.839 -28.569 1.00 55.10 C ATOM 929 O ASP A 56 18.529 -79.066 -29.408 1.00 22.23 O ATOM 930 CB ASP A 56 21.670 -78.362 -29.508 1.00 2.22 C ATOM 931 CG ASP A 56 22.851 -77.411 -29.536 1.00 31.21 C ATOM 932 OD1 ASP A 56 23.893 -77.741 -28.931 1.00 51.32 O ATOM 933 OD2 ASP A 56 22.733 -76.338 -30.163 1.00 62.12 O ATOM 0 H ASP A 56 21.606 -77.611 -27.062 1.00 53.25 H new ATOM 0 HA ASP A 56 20.019 -76.989 -29.446 1.00 34.10 H new ATOM 0 HB2 ASP A 56 21.960 -79.282 -29.000 1.00 2.22 H new ATOM 0 HB3 ASP A 56 21.401 -78.633 -30.529 1.00 2.22 H new ATOM 938 N ALA A 57 19.490 -79.502 -27.421 1.00 1.23 N ATOM 939 CA ALA A 57 18.547 -80.557 -27.072 1.00 54.21 C ATOM 940 C ALA A 57 17.123 -80.017 -26.996 1.00 54.41 C ATOM 941 O ALA A 57 16.156 -80.776 -27.058 1.00 3.43 O ATOM 942 CB ALA A 57 18.940 -81.201 -25.751 1.00 70.21 C ATOM 0 H ALA A 57 20.206 -79.327 -26.716 1.00 1.23 H new ATOM 0 HA ALA A 57 18.580 -81.313 -27.856 1.00 54.21 H new ATOM 0 HB1 ALA A 57 18.227 -81.987 -25.503 1.00 70.21 H new ATOM 0 HB2 ALA A 57 19.938 -81.631 -25.838 1.00 70.21 H new ATOM 0 HB3 ALA A 57 18.937 -80.447 -24.964 1.00 70.21 H new ATOM 948 N GLY A 58 17.000 -78.699 -26.861 1.00 24.51 N ATOM 949 CA GLY A 58 15.690 -78.081 -26.778 1.00 3.33 C ATOM 950 C GLY A 58 14.910 -78.199 -28.072 1.00 30.12 C ATOM 951 O GLY A 58 13.699 -77.979 -28.097 1.00 51.03 O ATOM 0 H GLY A 58 17.784 -78.049 -26.808 1.00 24.51 H new ATOM 0 HA2 GLY A 58 15.123 -78.546 -25.972 1.00 3.33 H new ATOM 0 HA3 GLY A 58 15.804 -77.028 -26.521 1.00 3.33 H new ATOM 955 N PHE A 59 15.605 -78.546 -29.150 1.00 73.22 N ATOM 956 CA PHE A 59 14.970 -78.691 -30.455 1.00 14.21 C ATOM 957 C PHE A 59 13.753 -79.607 -30.369 1.00 33.21 C ATOM 958 O PHE A 59 12.793 -79.454 -31.124 1.00 31.42 O ATOM 959 CB PHE A 59 15.968 -79.245 -31.473 1.00 43.43 C ATOM 960 CG PHE A 59 16.156 -80.732 -31.381 1.00 55.04 C ATOM 961 CD1 PHE A 59 15.837 -81.551 -32.452 1.00 73.24 C ATOM 962 CD2 PHE A 59 16.650 -81.311 -30.224 1.00 30.02 C ATOM 963 CE1 PHE A 59 16.008 -82.920 -32.371 1.00 61.43 C ATOM 964 CE2 PHE A 59 16.824 -82.679 -30.137 1.00 70.40 C ATOM 965 CZ PHE A 59 16.502 -83.485 -31.212 1.00 35.14 C ATOM 0 H PHE A 59 16.608 -78.732 -29.146 1.00 73.22 H new ATOM 0 HA PHE A 59 14.639 -77.705 -30.781 1.00 14.21 H new ATOM 0 HB2 PHE A 59 15.629 -78.991 -32.477 1.00 43.43 H new ATOM 0 HB3 PHE A 59 16.931 -78.756 -31.329 1.00 43.43 H new ATOM 0 HD1 PHE A 59 15.450 -81.114 -33.361 1.00 73.24 H new ATOM 0 HD2 PHE A 59 16.902 -80.686 -29.380 1.00 30.02 H new ATOM 0 HE1 PHE A 59 15.756 -83.547 -33.213 1.00 61.43 H new ATOM 0 HE2 PHE A 59 17.211 -83.118 -29.229 1.00 70.40 H new ATOM 0 HZ PHE A 59 16.636 -84.555 -31.146 1.00 35.14 H new ATOM 975 N MET A 60 13.801 -80.560 -29.444 1.00 22.13 N ATOM 976 CA MET A 60 12.703 -81.501 -29.258 1.00 72.32 C ATOM 977 C MET A 60 11.385 -80.763 -29.044 1.00 70.54 C ATOM 978 O MET A 60 10.314 -81.278 -29.366 1.00 71.41 O ATOM 979 CB MET A 60 12.986 -82.420 -28.068 1.00 15.32 C ATOM 980 CG MET A 60 13.222 -81.672 -26.766 1.00 14.33 C ATOM 981 SD MET A 60 11.711 -81.457 -25.804 1.00 63.22 S ATOM 982 CE MET A 60 11.410 -83.139 -25.267 1.00 62.22 C ATOM 0 H MET A 60 14.589 -80.701 -28.812 1.00 22.13 H new ATOM 0 HA MET A 60 12.618 -82.105 -30.161 1.00 72.32 H new ATOM 0 HB2 MET A 60 12.146 -83.102 -27.938 1.00 15.32 H new ATOM 0 HB3 MET A 60 13.861 -83.030 -28.291 1.00 15.32 H new ATOM 0 HG2 MET A 60 13.955 -82.214 -26.168 1.00 14.33 H new ATOM 0 HG3 MET A 60 13.650 -80.694 -26.986 1.00 14.33 H new ATOM 0 HE1 MET A 60 10.807 -83.129 -24.359 1.00 62.22 H new ATOM 0 HE2 MET A 60 10.879 -83.681 -26.049 1.00 62.22 H new ATOM 0 HE3 MET A 60 12.361 -83.632 -25.065 1.00 62.22 H new ATOM 992 N LYS A 61 11.470 -79.555 -28.499 1.00 44.23 N ATOM 993 CA LYS A 61 10.285 -78.745 -28.243 1.00 43.10 C ATOM 994 C LYS A 61 9.441 -78.601 -29.505 1.00 45.35 C ATOM 995 O LYS A 61 8.218 -78.493 -29.435 1.00 54.40 O ATOM 996 CB LYS A 61 10.689 -77.362 -27.726 1.00 62.31 C ATOM 997 CG LYS A 61 11.264 -76.455 -28.800 1.00 62.42 C ATOM 998 CD LYS A 61 11.970 -75.253 -28.196 1.00 14.12 C ATOM 999 CE LYS A 61 10.995 -74.348 -27.457 1.00 61.41 C ATOM 1000 NZ LYS A 61 10.846 -74.743 -26.029 1.00 75.11 N ATOM 0 H LYS A 61 12.348 -79.114 -28.226 1.00 44.23 H new ATOM 0 HA LYS A 61 9.688 -79.250 -27.484 1.00 43.10 H new ATOM 0 HB2 LYS A 61 9.817 -76.880 -27.284 1.00 62.31 H new ATOM 0 HB3 LYS A 61 11.425 -77.481 -26.931 1.00 62.31 H new ATOM 0 HG2 LYS A 61 11.965 -77.018 -29.416 1.00 62.42 H new ATOM 0 HG3 LYS A 61 10.464 -76.115 -29.457 1.00 62.42 H new ATOM 0 HD2 LYS A 61 12.745 -75.592 -27.509 1.00 14.12 H new ATOM 0 HD3 LYS A 61 12.467 -74.688 -28.984 1.00 14.12 H new ATOM 0 HE2 LYS A 61 11.342 -73.316 -27.514 1.00 61.41 H new ATOM 0 HE3 LYS A 61 10.022 -74.385 -27.947 1.00 61.41 H new ATOM 0 HZ1 LYS A 61 9.850 -74.970 -25.834 1.00 75.11 H new ATOM 0 HZ2 LYS A 61 11.436 -75.578 -25.836 1.00 75.11 H new ATOM 0 HZ3 LYS A 61 11.148 -73.957 -25.418 1.00 75.11 H new ATOM 1014 N GLN A 62 10.104 -78.601 -30.658 1.00 32.42 N ATOM 1015 CA GLN A 62 9.413 -78.471 -31.935 1.00 61.44 C ATOM 1016 C GLN A 62 8.542 -79.693 -32.210 1.00 41.21 C ATOM 1017 O GLN A 62 7.467 -79.581 -32.800 1.00 64.15 O ATOM 1018 CB GLN A 62 10.423 -78.285 -33.069 1.00 25.43 C ATOM 1019 CG GLN A 62 9.793 -77.845 -34.380 1.00 33.01 C ATOM 1020 CD GLN A 62 8.842 -76.677 -34.207 1.00 2.21 C ATOM 1021 OE1 GLN A 62 9.170 -75.687 -33.552 1.00 51.43 O ATOM 1022 NE2 GLN A 62 7.656 -76.786 -34.795 1.00 25.04 N ATOM 0 H GLN A 62 11.117 -78.689 -30.733 1.00 32.42 H new ATOM 0 HA GLN A 62 8.769 -77.593 -31.883 1.00 61.44 H new ATOM 0 HB2 GLN A 62 11.165 -77.546 -32.766 1.00 25.43 H new ATOM 0 HB3 GLN A 62 10.955 -79.223 -33.228 1.00 25.43 H new ATOM 0 HG2 GLN A 62 10.580 -77.567 -35.082 1.00 33.01 H new ATOM 0 HG3 GLN A 62 9.255 -78.685 -34.820 1.00 33.01 H new ATOM 0 HE21 GLN A 62 7.426 -77.625 -35.328 1.00 25.04 H new ATOM 0 HE22 GLN A 62 6.975 -76.031 -34.713 1.00 25.04 H new ATOM 1031 N TYR A 63 9.013 -80.858 -31.779 1.00 14.32 N ATOM 1032 CA TYR A 63 8.278 -82.101 -31.981 1.00 11.21 C ATOM 1033 C TYR A 63 7.079 -82.184 -31.041 1.00 22.13 C ATOM 1034 O TYR A 63 5.998 -82.623 -31.432 1.00 3.44 O ATOM 1035 CB TYR A 63 9.198 -83.303 -31.760 1.00 54.15 C ATOM 1036 CG TYR A 63 9.947 -83.728 -33.003 1.00 74.22 C ATOM 1037 CD1 TYR A 63 9.908 -85.045 -33.445 1.00 31.23 C ATOM 1038 CD2 TYR A 63 10.694 -82.814 -33.735 1.00 55.33 C ATOM 1039 CE1 TYR A 63 10.591 -85.439 -34.579 1.00 41.41 C ATOM 1040 CE2 TYR A 63 11.379 -83.198 -34.872 1.00 14.23 C ATOM 1041 CZ TYR A 63 11.325 -84.511 -35.289 1.00 75.34 C ATOM 1042 OH TYR A 63 12.007 -84.898 -36.420 1.00 72.21 O ATOM 0 H TYR A 63 9.900 -80.968 -31.288 1.00 14.32 H new ATOM 0 HA TYR A 63 7.913 -82.115 -33.008 1.00 11.21 H new ATOM 0 HB2 TYR A 63 9.917 -83.061 -30.978 1.00 54.15 H new ATOM 0 HB3 TYR A 63 8.604 -84.143 -31.398 1.00 54.15 H new ATOM 0 HD1 TYR A 63 9.333 -85.773 -32.892 1.00 31.23 H new ATOM 0 HD2 TYR A 63 10.740 -81.785 -33.410 1.00 55.33 H new ATOM 0 HE1 TYR A 63 10.551 -86.467 -34.908 1.00 41.41 H new ATOM 0 HE2 TYR A 63 11.953 -82.474 -35.431 1.00 14.23 H new ATOM 0 HH TYR A 63 12.472 -84.125 -36.802 1.00 72.21 H new ATOM 1052 N GLY A 64 7.280 -81.759 -29.797 1.00 40.40 N ATOM 1053 CA GLY A 64 6.208 -81.792 -28.819 1.00 61.33 C ATOM 1054 C GLY A 64 6.271 -80.629 -27.849 1.00 65.41 C ATOM 1055 O GLY A 64 7.354 -80.218 -27.434 1.00 44.24 O ATOM 0 H GLY A 64 8.166 -81.392 -29.449 1.00 40.40 H new ATOM 0 HA2 GLY A 64 5.248 -81.778 -29.336 1.00 61.33 H new ATOM 0 HA3 GLY A 64 6.257 -82.728 -28.263 1.00 61.33 H new ATOM 1059 N GLU A 65 5.108 -80.098 -27.488 1.00 52.20 N ATOM 1060 CA GLU A 65 5.037 -78.973 -26.562 1.00 72.25 C ATOM 1061 C GLU A 65 5.538 -79.375 -25.178 1.00 65.35 C ATOM 1062 O GLU A 65 6.390 -78.704 -24.597 1.00 65.05 O ATOM 1063 CB GLU A 65 3.601 -78.454 -26.465 1.00 51.45 C ATOM 1064 CG GLU A 65 3.441 -77.280 -25.513 1.00 62.33 C ATOM 1065 CD GLU A 65 2.228 -76.429 -25.835 1.00 21.23 C ATOM 1066 OE1 GLU A 65 2.382 -75.194 -25.940 1.00 33.15 O ATOM 1067 OE2 GLU A 65 1.126 -76.997 -25.981 1.00 31.30 O ATOM 0 H GLU A 65 4.202 -80.428 -27.822 1.00 52.20 H new ATOM 0 HA GLU A 65 5.678 -78.179 -26.945 1.00 72.25 H new ATOM 0 HB2 GLU A 65 3.264 -78.155 -27.457 1.00 51.45 H new ATOM 0 HB3 GLU A 65 2.951 -79.266 -26.139 1.00 51.45 H new ATOM 0 HG2 GLU A 65 3.358 -77.653 -24.492 1.00 62.33 H new ATOM 0 HG3 GLU A 65 4.336 -76.660 -25.553 1.00 62.33 H new TER 1074 GLU A 65