USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 777 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 54 ASN : amide:sc= 0.858 K(o=1.6,f=0) USER MOD Set 1.2: A 57 GLN : amide:sc= 0.745 K(o=1.6,f=-1.5!) USER MOD Set 2.1: A 9 GLN : amide:sc= 0.619 K(o=4.8,f=-2.6!) USER MOD Set 2.2: A 47 GLN : amide:sc= 1.76 K(o=4.8,f=-4.1) USER MOD Set 2.3: A 87 LYS NZ :NH3+ -175:sc= 2.45 (180deg=1.06) USER MOD Single : A 1 LYS N :NH3+ 176:sc= 0.0198 (180deg=0.018) USER MOD Single : A 1 LYS NZ :NH3+ -139:sc=-0.00437 (180deg=-0.627) USER MOD Single : A 5 THR OG1 : rot -55:sc= 0.855 USER MOD Single : A 7 LYS NZ :NH3+ 174:sc= 1.16 (180deg=0.976) USER MOD Single : A 13 GLN : amide:sc= 1.15 K(o=1.2,f=-6.4!) USER MOD Single : A 22 SER OG : rot 48:sc= 0.873 USER MOD Single : A 23 THR OG1 : rot -160:sc= -0.171 USER MOD Single : A 25 LYS NZ :NH3+ -163:sc= 1.16 (180deg=-0.211!) USER MOD Single : A 32 GLN : amide:sc= 0.561 K(o=0.56,f=-4.8!) USER MOD Single : A 36 LYS NZ :NH3+ -170:sc= 1.08 (180deg=0.587) USER MOD Single : A 45 ASN : amide:sc= -0.0878 K(o=-0.088,f=-1.5) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.194 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 174:sc= 0.993 (180deg=0.837) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 162:sc= 0.979 (180deg=0.0261!) USER MOD Single : A 74 TYR OH : rot 174:sc= 1.27 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 ASN : amide:sc= 1.26 K(o=1.3,f=-0.035) USER MOD Single : A 84 THR OG1 : rot 123:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 35 N LYS A 1 2.003 13.524 4.209 1.00 0.00 N ATOM 36 CA LYS A 1 0.600 13.274 4.633 1.00 0.00 C ATOM 37 C LYS A 1 0.447 11.898 5.384 1.00 0.00 C ATOM 38 O LYS A 1 1.414 11.156 5.587 1.00 0.00 O ATOM 39 CB LYS A 1 -0.405 13.475 3.457 1.00 0.00 C ATOM 40 CG LYS A 1 -0.405 12.490 2.259 1.00 0.00 C ATOM 41 CD LYS A 1 0.560 12.811 1.094 1.00 0.00 C ATOM 42 CE LYS A 1 0.247 14.106 0.307 1.00 0.00 C ATOM 43 NZ LYS A 1 1.063 15.240 0.821 1.00 0.00 N ATOM 0 H1 LYS A 1 2.048 14.406 3.660 1.00 0.00 H new ATOM 0 H2 LYS A 1 2.610 13.608 5.049 1.00 0.00 H new ATOM 0 H3 LYS A 1 2.334 12.733 3.620 1.00 0.00 H new ATOM 0 HA LYS A 1 0.335 14.031 5.371 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -1.408 13.467 3.883 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -0.238 14.474 3.055 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -0.164 11.496 2.636 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -1.418 12.442 1.858 1.00 0.00 H new ATOM 0 HD2 LYS A 1 1.572 12.885 1.493 1.00 0.00 H new ATOM 0 HD3 LYS A 1 0.552 11.973 0.398 1.00 0.00 H new ATOM 0 HE2 LYS A 1 0.453 13.953 -0.752 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -0.813 14.344 0.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 0.477 16.098 0.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 1.414 15.012 1.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 1.870 15.404 0.185 1.00 0.00 H new ATOM 57 N VAL A 2 -0.795 11.534 5.771 1.00 0.00 N ATOM 58 CA VAL A 2 -1.116 10.212 6.396 1.00 0.00 C ATOM 59 C VAL A 2 -1.008 9.061 5.335 1.00 0.00 C ATOM 60 O VAL A 2 -1.962 8.774 4.605 1.00 0.00 O ATOM 61 CB VAL A 2 -2.515 10.328 7.117 1.00 0.00 C ATOM 62 CG1 VAL A 2 -3.203 8.988 7.474 1.00 0.00 C ATOM 63 CG2 VAL A 2 -2.442 11.178 8.410 1.00 0.00 C ATOM 0 H VAL A 2 -1.608 12.140 5.663 1.00 0.00 H new ATOM 0 HA VAL A 2 -0.389 9.943 7.163 1.00 0.00 H new ATOM 0 HB VAL A 2 -3.126 10.816 6.357 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -4.156 9.188 7.965 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -3.377 8.414 6.564 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -2.562 8.417 8.145 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -3.429 11.228 8.869 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -1.740 10.720 9.107 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -2.105 12.185 8.165 1.00 0.00 H new ATOM 73 N ASP A 3 0.155 8.385 5.288 1.00 0.00 N ATOM 74 CA ASP A 3 0.342 7.147 4.481 1.00 0.00 C ATOM 75 C ASP A 3 -0.060 5.901 5.332 1.00 0.00 C ATOM 76 O ASP A 3 0.777 5.259 5.972 1.00 0.00 O ATOM 77 CB ASP A 3 1.795 7.147 3.941 1.00 0.00 C ATOM 78 CG ASP A 3 2.089 6.060 2.907 1.00 0.00 C ATOM 79 OD1 ASP A 3 1.488 6.096 1.813 1.00 0.00 O ATOM 80 OD2 ASP A 3 2.928 5.177 3.178 1.00 0.00 O ATOM 0 H ASP A 3 0.989 8.671 5.800 1.00 0.00 H new ATOM 0 HA ASP A 3 -0.312 7.108 3.610 1.00 0.00 H new ATOM 0 HB2 ASP A 3 2.003 8.120 3.496 1.00 0.00 H new ATOM 0 HB3 ASP A 3 2.481 7.027 4.780 1.00 0.00 H new ATOM 85 N ILE A 4 -1.370 5.582 5.348 1.00 0.00 N ATOM 86 CA ILE A 4 -1.910 4.374 6.038 1.00 0.00 C ATOM 87 C ILE A 4 -1.836 3.166 5.047 1.00 0.00 C ATOM 88 O ILE A 4 -2.515 3.127 4.014 1.00 0.00 O ATOM 89 CB ILE A 4 -3.314 4.686 6.671 1.00 0.00 C ATOM 90 CG1 ILE A 4 -3.754 3.766 7.844 1.00 0.00 C ATOM 91 CG2 ILE A 4 -4.455 4.831 5.651 1.00 0.00 C ATOM 92 CD1 ILE A 4 -4.202 2.338 7.495 1.00 0.00 C ATOM 0 H ILE A 4 -2.086 6.145 4.889 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.309 4.081 6.899 1.00 0.00 H new ATOM 0 HB ILE A 4 -3.128 5.666 7.110 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -2.923 3.696 8.546 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.574 4.257 8.368 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -5.386 5.045 6.175 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -4.228 5.647 4.965 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -4.560 3.903 5.089 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -4.480 1.811 8.408 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -5.060 2.380 6.824 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.384 1.809 7.006 1.00 0.00 H new ATOM 104 N THR A 5 -0.959 2.206 5.359 1.00 0.00 N ATOM 105 CA THR A 5 -0.635 1.070 4.450 1.00 0.00 C ATOM 106 C THR A 5 -1.196 -0.245 5.056 1.00 0.00 C ATOM 107 O THR A 5 -0.763 -0.693 6.121 1.00 0.00 O ATOM 108 CB THR A 5 0.888 0.978 4.142 1.00 0.00 C ATOM 109 OG1 THR A 5 1.661 0.835 5.324 1.00 0.00 O ATOM 110 CG2 THR A 5 1.465 2.173 3.372 1.00 0.00 C ATOM 0 H THR A 5 -0.449 2.182 6.242 1.00 0.00 H new ATOM 0 HA THR A 5 -1.115 1.243 3.487 1.00 0.00 H new ATOM 0 HB THR A 5 0.957 0.094 3.508 1.00 0.00 H new ATOM 0 HG1 THR A 5 1.455 1.569 5.940 1.00 0.00 H new ATOM 0 HG21 THR A 5 2.531 2.018 3.205 1.00 0.00 H new ATOM 0 HG22 THR A 5 0.957 2.267 2.412 1.00 0.00 H new ATOM 0 HG23 THR A 5 1.318 3.085 3.951 1.00 0.00 H new ATOM 118 N ILE A 6 -2.174 -0.855 4.374 1.00 0.00 N ATOM 119 CA ILE A 6 -2.925 -2.033 4.884 1.00 0.00 C ATOM 120 C ILE A 6 -2.375 -3.278 4.114 1.00 0.00 C ATOM 121 O ILE A 6 -2.773 -3.552 2.976 1.00 0.00 O ATOM 122 CB ILE A 6 -4.489 -1.866 4.751 1.00 0.00 C ATOM 123 CG1 ILE A 6 -5.115 -0.507 5.200 1.00 0.00 C ATOM 124 CG2 ILE A 6 -5.209 -2.975 5.560 1.00 0.00 C ATOM 125 CD1 ILE A 6 -5.050 0.627 4.159 1.00 0.00 C ATOM 0 H ILE A 6 -2.476 -0.552 3.448 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.769 -2.152 5.956 1.00 0.00 H new ATOM 0 HB ILE A 6 -4.640 -1.925 3.673 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -6.159 -0.677 5.463 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -4.608 -0.175 6.106 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.288 -2.853 5.464 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -4.918 -3.953 5.176 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -4.928 -2.900 6.610 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -5.511 1.525 4.570 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -4.009 0.834 3.911 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -5.584 0.325 3.258 1.00 0.00 H new ATOM 137 N LYS A 7 -1.450 -4.024 4.740 1.00 0.00 N ATOM 138 CA LYS A 7 -0.888 -5.273 4.153 1.00 0.00 C ATOM 139 C LYS A 7 -1.759 -6.498 4.594 1.00 0.00 C ATOM 140 O LYS A 7 -1.679 -6.950 5.743 1.00 0.00 O ATOM 141 CB LYS A 7 0.595 -5.404 4.593 1.00 0.00 C ATOM 142 CG LYS A 7 1.657 -4.492 3.927 1.00 0.00 C ATOM 143 CD LYS A 7 1.696 -3.028 4.425 1.00 0.00 C ATOM 144 CE LYS A 7 2.939 -2.220 3.996 1.00 0.00 C ATOM 145 NZ LYS A 7 2.947 -1.929 2.536 1.00 0.00 N ATOM 0 H LYS A 7 -1.068 -3.791 5.657 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.913 -5.241 3.064 1.00 0.00 H new ATOM 0 HB2 LYS A 7 0.637 -5.228 5.668 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.898 -6.438 4.427 1.00 0.00 H new ATOM 0 HG2 LYS A 7 2.640 -4.936 4.085 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.480 -4.485 2.852 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.806 -2.514 4.063 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.642 -3.030 5.514 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.970 -1.283 4.551 1.00 0.00 H new ATOM 0 HE3 LYS A 7 3.839 -2.776 4.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 3.745 -1.300 2.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.047 -2.818 2.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.055 -1.465 2.270 1.00 0.00 H new ATOM 159 N ILE A 8 -2.631 -6.991 3.692 1.00 0.00 N ATOM 160 CA ILE A 8 -3.668 -8.020 4.021 1.00 0.00 C ATOM 161 C ILE A 8 -3.132 -9.415 3.555 1.00 0.00 C ATOM 162 O ILE A 8 -3.091 -9.707 2.353 1.00 0.00 O ATOM 163 CB ILE A 8 -5.070 -7.651 3.394 1.00 0.00 C ATOM 164 CG1 ILE A 8 -5.582 -6.220 3.750 1.00 0.00 C ATOM 165 CG2 ILE A 8 -6.162 -8.685 3.777 1.00 0.00 C ATOM 166 CD1 ILE A 8 -6.824 -5.729 2.985 1.00 0.00 C ATOM 0 H ILE A 8 -2.646 -6.696 2.716 1.00 0.00 H new ATOM 0 HA ILE A 8 -3.841 -8.055 5.097 1.00 0.00 H new ATOM 0 HB ILE A 8 -4.892 -7.672 2.319 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.804 -6.192 4.817 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -4.771 -5.513 3.575 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.111 -8.395 3.326 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -5.873 -9.671 3.413 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -6.270 -8.716 4.861 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -7.083 -4.724 3.319 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.610 -5.713 1.916 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -7.660 -6.402 3.178 1.00 0.00 H new ATOM 178 N GLN A 9 -2.743 -10.287 4.502 1.00 0.00 N ATOM 179 CA GLN A 9 -2.059 -11.571 4.185 1.00 0.00 C ATOM 180 C GLN A 9 -3.061 -12.764 4.196 1.00 0.00 C ATOM 181 O GLN A 9 -3.638 -13.098 5.239 1.00 0.00 O ATOM 182 CB GLN A 9 -0.911 -11.857 5.189 1.00 0.00 C ATOM 183 CG GLN A 9 0.158 -10.745 5.339 1.00 0.00 C ATOM 184 CD GLN A 9 1.352 -11.084 6.229 1.00 0.00 C ATOM 185 OE1 GLN A 9 1.447 -10.667 7.379 1.00 0.00 O ATOM 186 NE2 GLN A 9 2.313 -11.830 5.740 1.00 0.00 N ATOM 0 H GLN A 9 -2.888 -10.132 5.500 1.00 0.00 H new ATOM 0 HA GLN A 9 -1.640 -11.470 3.184 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -1.351 -12.044 6.169 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -0.410 -12.776 4.884 1.00 0.00 H new ATOM 0 HG2 GLN A 9 0.530 -10.489 4.347 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -0.326 -9.854 5.738 1.00 0.00 H new ATOM 0 HE21 GLN A 9 2.248 -12.184 4.786 1.00 0.00 H new ATOM 0 HE22 GLN A 9 3.125 -12.056 6.314 1.00 0.00 H new ATOM 195 N ARG A 10 -3.223 -13.442 3.047 1.00 0.00 N ATOM 196 CA ARG A 10 -4.001 -14.716 2.974 1.00 0.00 C ATOM 197 C ARG A 10 -2.995 -15.902 2.816 1.00 0.00 C ATOM 198 O ARG A 10 -2.709 -16.329 1.693 1.00 0.00 O ATOM 199 CB ARG A 10 -5.101 -14.672 1.868 1.00 0.00 C ATOM 200 CG ARG A 10 -6.065 -13.451 1.853 1.00 0.00 C ATOM 201 CD ARG A 10 -5.617 -12.295 0.925 1.00 0.00 C ATOM 202 NE ARG A 10 -5.887 -12.610 -0.510 1.00 0.00 N ATOM 203 CZ ARG A 10 -6.889 -12.135 -1.246 1.00 0.00 C ATOM 204 NH1 ARG A 10 -7.776 -11.273 -0.814 1.00 0.00 N ATOM 205 NH2 ARG A 10 -6.984 -12.563 -2.469 1.00 0.00 N ATOM 0 H ARG A 10 -2.833 -13.141 2.154 1.00 0.00 H new ATOM 0 HA ARG A 10 -4.559 -14.864 3.899 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -4.604 -14.718 0.899 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -5.705 -15.575 1.960 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -7.054 -13.788 1.542 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -6.163 -13.068 2.869 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -6.141 -11.380 1.203 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -4.552 -12.107 1.063 1.00 0.00 H new ATOM 0 HE ARG A 10 -5.241 -13.251 -0.970 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -7.724 -10.924 0.143 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -8.519 -10.951 -1.435 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -6.306 -13.236 -2.828 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -7.736 -12.226 -3.070 1.00 0.00 H new ATOM 219 N ASP A 11 -2.423 -16.359 3.954 1.00 0.00 N ATOM 220 CA ASP A 11 -1.384 -17.441 4.061 1.00 0.00 C ATOM 221 C ASP A 11 -0.444 -17.711 2.829 1.00 0.00 C ATOM 222 O ASP A 11 -0.493 -18.766 2.189 1.00 0.00 O ATOM 223 CB ASP A 11 -2.045 -18.717 4.656 1.00 0.00 C ATOM 224 CG ASP A 11 -2.539 -18.583 6.098 1.00 0.00 C ATOM 225 OD1 ASP A 11 -3.589 -17.944 6.320 1.00 0.00 O ATOM 226 OD2 ASP A 11 -1.865 -19.092 7.020 1.00 0.00 O ATOM 0 H ASP A 11 -2.674 -15.977 4.866 1.00 0.00 H new ATOM 0 HA ASP A 11 -0.633 -17.046 4.745 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -2.888 -18.998 4.025 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.326 -19.535 4.610 1.00 0.00 H new ATOM 231 N GLY A 12 0.382 -16.708 2.482 1.00 0.00 N ATOM 232 CA GLY A 12 1.056 -16.654 1.153 1.00 0.00 C ATOM 233 C GLY A 12 0.793 -15.368 0.340 1.00 0.00 C ATOM 234 O GLY A 12 1.745 -14.719 -0.100 1.00 0.00 O ATOM 0 H GLY A 12 0.604 -15.923 3.094 1.00 0.00 H new ATOM 0 HA2 GLY A 12 2.131 -16.758 1.303 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.732 -17.511 0.563 1.00 0.00 H new ATOM 238 N GLN A 13 -0.482 -15.009 0.111 1.00 0.00 N ATOM 239 CA GLN A 13 -0.856 -13.821 -0.708 1.00 0.00 C ATOM 240 C GLN A 13 -0.746 -12.490 0.108 1.00 0.00 C ATOM 241 O GLN A 13 -1.647 -12.159 0.885 1.00 0.00 O ATOM 242 CB GLN A 13 -2.300 -14.006 -1.248 1.00 0.00 C ATOM 243 CG GLN A 13 -2.550 -15.184 -2.225 1.00 0.00 C ATOM 244 CD GLN A 13 -3.997 -15.309 -2.725 1.00 0.00 C ATOM 245 OE1 GLN A 13 -4.856 -14.444 -2.557 1.00 0.00 O ATOM 246 NE2 GLN A 13 -4.314 -16.405 -3.369 1.00 0.00 N ATOM 0 H GLN A 13 -1.282 -15.522 0.480 1.00 0.00 H new ATOM 0 HA GLN A 13 -0.156 -13.745 -1.540 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -2.966 -14.129 -0.394 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -2.593 -13.084 -1.750 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -1.891 -15.070 -3.086 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -2.270 -16.114 -1.730 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -3.613 -17.131 -3.516 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -5.262 -16.532 -3.723 1.00 0.00 H new ATOM 255 N GLU A 14 0.343 -11.728 -0.099 1.00 0.00 N ATOM 256 CA GLU A 14 0.551 -10.400 0.549 1.00 0.00 C ATOM 257 C GLU A 14 -0.115 -9.260 -0.294 1.00 0.00 C ATOM 258 O GLU A 14 0.389 -8.880 -1.357 1.00 0.00 O ATOM 259 CB GLU A 14 2.084 -10.167 0.781 1.00 0.00 C ATOM 260 CG GLU A 14 2.513 -9.906 2.249 1.00 0.00 C ATOM 261 CD GLU A 14 1.991 -8.646 2.936 1.00 0.00 C ATOM 262 OE1 GLU A 14 0.769 -8.390 2.909 1.00 0.00 O ATOM 263 OE2 GLU A 14 2.804 -7.930 3.558 1.00 0.00 O ATOM 0 H GLU A 14 1.107 -12.005 -0.716 1.00 0.00 H new ATOM 0 HA GLU A 14 0.063 -10.384 1.523 1.00 0.00 H new ATOM 0 HB2 GLU A 14 2.624 -11.040 0.414 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.399 -9.318 0.174 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.202 -10.764 2.845 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.602 -9.875 2.278 1.00 0.00 H new ATOM 270 N ILE A 15 -1.271 -8.738 0.157 1.00 0.00 N ATOM 271 CA ILE A 15 -2.064 -7.734 -0.618 1.00 0.00 C ATOM 272 C ILE A 15 -1.782 -6.314 -0.023 1.00 0.00 C ATOM 273 O ILE A 15 -2.371 -5.922 0.991 1.00 0.00 O ATOM 274 CB ILE A 15 -3.584 -8.135 -0.661 1.00 0.00 C ATOM 275 CG1 ILE A 15 -3.890 -9.577 -1.173 1.00 0.00 C ATOM 276 CG2 ILE A 15 -4.466 -7.115 -1.428 1.00 0.00 C ATOM 277 CD1 ILE A 15 -3.425 -9.928 -2.599 1.00 0.00 C ATOM 0 H ILE A 15 -1.687 -8.988 1.054 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.756 -7.711 -1.663 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.852 -8.120 0.395 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.431 -10.285 -0.483 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.967 -9.733 -1.120 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.503 -7.452 -1.420 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.397 -6.140 -0.946 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.118 -7.036 -2.458 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.700 -10.958 -2.828 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.903 -9.257 -3.313 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.343 -9.818 -2.666 1.00 0.00 H new ATOM 289 N GLU A 16 -0.889 -5.550 -0.675 1.00 0.00 N ATOM 290 CA GLU A 16 -0.440 -4.221 -0.177 1.00 0.00 C ATOM 291 C GLU A 16 -1.342 -3.062 -0.708 1.00 0.00 C ATOM 292 O GLU A 16 -1.390 -2.798 -1.915 1.00 0.00 O ATOM 293 CB GLU A 16 1.039 -3.961 -0.576 1.00 0.00 C ATOM 294 CG GLU A 16 2.089 -4.998 -0.098 1.00 0.00 C ATOM 295 CD GLU A 16 3.497 -4.436 -0.010 1.00 0.00 C ATOM 296 OE1 GLU A 16 3.816 -3.820 1.030 1.00 0.00 O ATOM 297 OE2 GLU A 16 4.280 -4.590 -0.966 1.00 0.00 O ATOM 0 H GLU A 16 -0.456 -5.826 -1.556 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.525 -4.240 0.910 1.00 0.00 H new ATOM 0 HB2 GLU A 16 1.091 -3.902 -1.663 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.328 -2.984 -0.189 1.00 0.00 H new ATOM 0 HG2 GLU A 16 1.795 -5.376 0.881 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.087 -5.847 -0.781 1.00 0.00 H new ATOM 304 N ILE A 17 -2.041 -2.357 0.198 1.00 0.00 N ATOM 305 CA ILE A 17 -2.951 -1.228 -0.184 1.00 0.00 C ATOM 306 C ILE A 17 -2.519 0.033 0.631 1.00 0.00 C ATOM 307 O ILE A 17 -2.774 0.095 1.838 1.00 0.00 O ATOM 308 CB ILE A 17 -4.468 -1.613 0.025 1.00 0.00 C ATOM 309 CG1 ILE A 17 -4.926 -2.849 -0.812 1.00 0.00 C ATOM 310 CG2 ILE A 17 -5.426 -0.426 -0.282 1.00 0.00 C ATOM 311 CD1 ILE A 17 -6.236 -3.509 -0.345 1.00 0.00 C ATOM 0 H ILE A 17 -2.003 -2.537 1.201 1.00 0.00 H new ATOM 0 HA ILE A 17 -2.860 -1.006 -1.247 1.00 0.00 H new ATOM 0 HB ILE A 17 -4.531 -1.875 1.081 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -5.044 -2.541 -1.851 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -4.133 -3.597 -0.789 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.458 -0.741 -0.124 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -5.195 0.408 0.380 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.297 -0.113 -1.318 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -6.467 -4.357 -0.990 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -6.123 -3.855 0.682 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -7.047 -2.783 -0.396 1.00 0.00 H new ATOM 323 N ASP A 18 -1.949 1.072 -0.014 1.00 0.00 N ATOM 324 CA ASP A 18 -1.905 2.439 0.582 1.00 0.00 C ATOM 325 C ASP A 18 -3.226 3.232 0.330 1.00 0.00 C ATOM 326 O ASP A 18 -3.838 3.139 -0.741 1.00 0.00 O ATOM 327 CB ASP A 18 -0.621 3.214 0.163 1.00 0.00 C ATOM 328 CG ASP A 18 -0.613 4.032 -1.133 1.00 0.00 C ATOM 329 OD1 ASP A 18 -1.058 5.202 -1.132 1.00 0.00 O ATOM 330 OD2 ASP A 18 -0.057 3.555 -2.143 1.00 0.00 O ATOM 0 H ASP A 18 -1.516 1.001 -0.935 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.838 2.323 1.664 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -0.371 3.894 0.978 1.00 0.00 H new ATOM 0 HB3 ASP A 18 0.189 2.488 0.094 1.00 0.00 H new ATOM 335 N ILE A 19 -3.602 4.099 1.282 1.00 0.00 N ATOM 336 CA ILE A 19 -4.345 5.346 0.937 1.00 0.00 C ATOM 337 C ILE A 19 -3.557 6.546 1.557 1.00 0.00 C ATOM 338 O ILE A 19 -3.685 6.867 2.742 1.00 0.00 O ATOM 339 CB ILE A 19 -5.894 5.307 1.210 1.00 0.00 C ATOM 340 CG1 ILE A 19 -6.306 5.039 2.683 1.00 0.00 C ATOM 341 CG2 ILE A 19 -6.606 4.331 0.239 1.00 0.00 C ATOM 342 CD1 ILE A 19 -7.790 5.261 3.011 1.00 0.00 C ATOM 0 H ILE A 19 -3.415 3.976 2.277 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.368 5.472 -0.145 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.234 6.324 1.016 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -6.048 4.009 2.931 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.710 5.682 3.330 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -7.675 4.324 0.450 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -6.441 4.655 -0.789 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -6.203 3.327 0.372 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.966 5.045 4.065 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -8.058 6.297 2.803 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -8.401 4.599 2.398 1.00 0.00 H new ATOM 354 N ARG A 20 -2.729 7.214 0.735 1.00 0.00 N ATOM 355 CA ARG A 20 -1.945 8.408 1.164 1.00 0.00 C ATOM 356 C ARG A 20 -2.801 9.723 1.185 1.00 0.00 C ATOM 357 O ARG A 20 -3.017 10.376 0.160 1.00 0.00 O ATOM 358 CB ARG A 20 -0.626 8.448 0.347 1.00 0.00 C ATOM 359 CG ARG A 20 -0.720 8.675 -1.187 1.00 0.00 C ATOM 360 CD ARG A 20 0.601 8.410 -1.933 1.00 0.00 C ATOM 361 NE ARG A 20 0.853 6.944 -2.063 1.00 0.00 N ATOM 362 CZ ARG A 20 1.994 6.390 -2.473 1.00 0.00 C ATOM 363 NH1 ARG A 20 3.061 7.083 -2.782 1.00 0.00 N ATOM 364 NH2 ARG A 20 2.063 5.096 -2.579 1.00 0.00 N ATOM 0 H ARG A 20 -2.578 6.952 -0.239 1.00 0.00 H new ATOM 0 HA ARG A 20 -1.655 8.325 2.212 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.000 9.238 0.763 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.103 7.506 0.513 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.494 8.025 -1.595 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.034 9.702 -1.375 1.00 0.00 H new ATOM 0 HD2 ARG A 20 0.563 8.866 -2.922 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.426 8.879 -1.398 1.00 0.00 H new ATOM 0 HE ARG A 20 0.089 6.314 -1.818 1.00 0.00 H new ATOM 0 HH11 ARG A 20 3.045 8.101 -2.714 1.00 0.00 H new ATOM 0 HH12 ARG A 20 3.908 6.605 -3.090 1.00 0.00 H new ATOM 0 HH21 ARG A 20 1.252 4.522 -2.350 1.00 0.00 H new ATOM 0 HH22 ARG A 20 2.928 4.655 -2.891 1.00 0.00 H new ATOM 378 N VAL A 21 -3.331 10.077 2.369 1.00 0.00 N ATOM 379 CA VAL A 21 -4.517 10.982 2.507 1.00 0.00 C ATOM 380 C VAL A 21 -4.120 12.295 3.267 1.00 0.00 C ATOM 381 O VAL A 21 -3.583 12.250 4.379 1.00 0.00 O ATOM 382 CB VAL A 21 -5.676 10.163 3.193 1.00 0.00 C ATOM 383 CG1 VAL A 21 -6.859 11.000 3.723 1.00 0.00 C ATOM 384 CG2 VAL A 21 -6.312 9.112 2.251 1.00 0.00 C ATOM 0 H VAL A 21 -2.961 9.752 3.262 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.880 11.318 1.536 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.148 9.705 4.029 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.599 10.339 4.175 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.499 11.707 4.471 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.316 11.546 2.898 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -7.103 8.581 2.780 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.732 9.612 1.378 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.550 8.402 1.931 1.00 0.00 H new ATOM 394 N SER A 22 -4.445 13.472 2.693 1.00 0.00 N ATOM 395 CA SER A 22 -4.298 14.791 3.384 1.00 0.00 C ATOM 396 C SER A 22 -5.671 15.481 3.667 1.00 0.00 C ATOM 397 O SER A 22 -6.040 16.446 2.987 1.00 0.00 O ATOM 398 CB SER A 22 -3.327 15.672 2.555 1.00 0.00 C ATOM 399 OG SER A 22 -3.939 16.146 1.354 1.00 0.00 O ATOM 0 H SER A 22 -4.815 13.546 1.745 1.00 0.00 H new ATOM 0 HA SER A 22 -3.871 14.635 4.375 1.00 0.00 H new ATOM 0 HB2 SER A 22 -3.001 16.520 3.157 1.00 0.00 H new ATOM 0 HB3 SER A 22 -2.435 15.096 2.307 1.00 0.00 H new ATOM 0 HG SER A 22 -4.821 16.519 1.562 1.00 0.00 H new ATOM 405 N THR A 23 -6.442 14.960 4.641 1.00 0.00 N ATOM 406 CA THR A 23 -7.887 15.321 4.807 1.00 0.00 C ATOM 407 C THR A 23 -8.365 15.107 6.282 1.00 0.00 C ATOM 408 O THR A 23 -7.966 14.125 6.919 1.00 0.00 O ATOM 409 CB THR A 23 -8.828 14.489 3.873 1.00 0.00 C ATOM 410 OG1 THR A 23 -8.888 13.128 4.297 1.00 0.00 O ATOM 411 CG2 THR A 23 -8.493 14.475 2.375 1.00 0.00 C ATOM 0 H THR A 23 -6.101 14.289 5.329 1.00 0.00 H new ATOM 0 HA THR A 23 -7.954 16.374 4.535 1.00 0.00 H new ATOM 0 HB THR A 23 -9.777 15.016 3.973 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.202 12.568 3.556 1.00 0.00 H new ATOM 0 HG21 THR A 23 -9.222 13.863 1.845 1.00 0.00 H new ATOM 0 HG22 THR A 23 -8.522 15.493 1.986 1.00 0.00 H new ATOM 0 HG23 THR A 23 -7.496 14.059 2.229 1.00 0.00 H new ATOM 419 N GLY A 24 -9.313 15.932 6.770 1.00 0.00 N ATOM 420 CA GLY A 24 -9.935 15.731 8.111 1.00 0.00 C ATOM 421 C GLY A 24 -10.942 14.561 8.221 1.00 0.00 C ATOM 422 O GLY A 24 -10.532 13.414 8.410 1.00 0.00 O ATOM 0 H GLY A 24 -9.669 16.743 6.264 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -9.139 15.570 8.838 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.445 16.652 8.395 1.00 0.00 H new ATOM 426 N LYS A 25 -12.257 14.828 8.116 1.00 0.00 N ATOM 427 CA LYS A 25 -13.298 13.753 8.252 1.00 0.00 C ATOM 428 C LYS A 25 -13.513 12.779 7.040 1.00 0.00 C ATOM 429 O LYS A 25 -14.135 11.728 7.215 1.00 0.00 O ATOM 430 CB LYS A 25 -14.641 14.346 8.770 1.00 0.00 C ATOM 431 CG LYS A 25 -14.660 15.042 10.158 1.00 0.00 C ATOM 432 CD LYS A 25 -13.971 14.249 11.297 1.00 0.00 C ATOM 433 CE LYS A 25 -14.491 14.552 12.717 1.00 0.00 C ATOM 434 NZ LYS A 25 -15.655 13.671 13.013 1.00 0.00 N ATOM 0 H LYS A 25 -12.635 15.759 7.940 1.00 0.00 H new ATOM 0 HA LYS A 25 -12.867 13.084 8.997 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -14.990 15.069 8.033 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -15.372 13.538 8.795 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -14.175 16.014 10.067 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -15.696 15.228 10.440 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -14.094 13.184 11.102 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.901 14.457 11.267 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -13.700 14.388 13.449 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -14.784 15.599 12.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -16.182 14.053 13.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -16.280 13.630 12.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -15.317 12.714 13.240 1.00 0.00 H new ATOM 448 N GLU A 26 -12.941 13.041 5.853 1.00 0.00 N ATOM 449 CA GLU A 26 -12.732 11.997 4.801 1.00 0.00 C ATOM 450 C GLU A 26 -11.782 10.814 5.223 1.00 0.00 C ATOM 451 O GLU A 26 -12.064 9.669 4.870 1.00 0.00 O ATOM 452 CB GLU A 26 -12.239 12.690 3.507 1.00 0.00 C ATOM 453 CG GLU A 26 -13.220 13.689 2.841 1.00 0.00 C ATOM 454 CD GLU A 26 -12.544 14.591 1.819 1.00 0.00 C ATOM 455 OE1 GLU A 26 -11.936 15.603 2.230 1.00 0.00 O ATOM 456 OE2 GLU A 26 -12.629 14.299 0.609 1.00 0.00 O ATOM 0 H GLU A 26 -12.609 13.967 5.584 1.00 0.00 H new ATOM 0 HA GLU A 26 -13.694 11.512 4.635 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -11.314 13.220 3.735 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.992 11.917 2.779 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -14.021 13.133 2.354 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -13.682 14.305 3.612 1.00 0.00 H new ATOM 463 N LEU A 27 -10.717 11.057 6.020 1.00 0.00 N ATOM 464 CA LEU A 27 -9.942 9.980 6.711 1.00 0.00 C ATOM 465 C LEU A 27 -10.758 9.119 7.741 1.00 0.00 C ATOM 466 O LEU A 27 -10.645 7.891 7.714 1.00 0.00 O ATOM 467 CB LEU A 27 -8.674 10.649 7.321 1.00 0.00 C ATOM 468 CG LEU A 27 -7.651 9.728 8.040 1.00 0.00 C ATOM 469 CD1 LEU A 27 -6.984 8.713 7.094 1.00 0.00 C ATOM 470 CD2 LEU A 27 -6.571 10.577 8.731 1.00 0.00 C ATOM 0 H LEU A 27 -10.365 11.996 6.207 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.661 9.225 5.976 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.151 11.171 6.520 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.003 11.406 8.033 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.212 9.156 8.779 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.280 8.099 7.656 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.747 8.075 6.649 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.452 9.246 6.306 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.859 9.922 9.232 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.049 11.178 7.986 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.039 11.234 9.465 1.00 0.00 H new ATOM 482 N GLU A 28 -11.601 9.734 8.598 1.00 0.00 N ATOM 483 CA GLU A 28 -12.665 9.020 9.372 1.00 0.00 C ATOM 484 C GLU A 28 -13.620 8.113 8.512 1.00 0.00 C ATOM 485 O GLU A 28 -13.765 6.925 8.812 1.00 0.00 O ATOM 486 CB GLU A 28 -13.414 10.112 10.192 1.00 0.00 C ATOM 487 CG GLU A 28 -14.550 9.641 11.137 1.00 0.00 C ATOM 488 CD GLU A 28 -15.304 10.789 11.789 1.00 0.00 C ATOM 489 OE1 GLU A 28 -16.143 11.434 11.126 1.00 0.00 O ATOM 490 OE2 GLU A 28 -15.037 11.106 12.968 1.00 0.00 O ATOM 0 H GLU A 28 -11.572 10.737 8.780 1.00 0.00 H new ATOM 0 HA GLU A 28 -12.203 8.284 10.030 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -12.678 10.647 10.791 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -13.836 10.830 9.489 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -15.253 9.028 10.572 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -14.126 9.005 11.915 1.00 0.00 H new ATOM 497 N ARG A 29 -14.226 8.649 7.434 1.00 0.00 N ATOM 498 CA ARG A 29 -15.034 7.845 6.468 1.00 0.00 C ATOM 499 C ARG A 29 -14.261 6.754 5.658 1.00 0.00 C ATOM 500 O ARG A 29 -14.773 5.641 5.517 1.00 0.00 O ATOM 501 CB ARG A 29 -15.836 8.790 5.530 1.00 0.00 C ATOM 502 CG ARG A 29 -16.846 9.762 6.194 1.00 0.00 C ATOM 503 CD ARG A 29 -17.923 9.062 7.044 1.00 0.00 C ATOM 504 NE ARG A 29 -18.849 10.074 7.608 1.00 0.00 N ATOM 505 CZ ARG A 29 -19.882 9.796 8.404 1.00 0.00 C ATOM 506 NH1 ARG A 29 -20.189 8.584 8.808 1.00 0.00 N ATOM 507 NH2 ARG A 29 -20.632 10.782 8.804 1.00 0.00 N ATOM 0 H ARG A 29 -14.176 9.641 7.201 1.00 0.00 H new ATOM 0 HA ARG A 29 -15.712 7.260 7.089 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -15.122 9.384 4.959 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -16.381 8.173 4.816 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -16.299 10.463 6.824 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -17.336 10.348 5.416 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -18.476 8.349 6.433 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -17.454 8.495 7.848 1.00 0.00 H new ATOM 0 HE ARG A 29 -18.684 11.052 7.370 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -19.623 7.789 8.512 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -20.994 8.438 9.418 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -20.422 11.735 8.508 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -21.430 10.601 9.414 1.00 0.00 H new ATOM 521 N ALA A 30 -13.042 7.030 5.163 1.00 0.00 N ATOM 522 CA ALA A 30 -12.153 5.989 4.589 1.00 0.00 C ATOM 523 C ALA A 30 -11.677 4.873 5.580 1.00 0.00 C ATOM 524 O ALA A 30 -11.754 3.698 5.220 1.00 0.00 O ATOM 525 CB ALA A 30 -10.999 6.724 3.893 1.00 0.00 C ATOM 0 H ALA A 30 -12.643 7.968 5.146 1.00 0.00 H new ATOM 0 HA ALA A 30 -12.729 5.399 3.876 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -10.316 5.996 3.454 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -11.398 7.367 3.108 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -10.462 7.331 4.622 1.00 0.00 H new ATOM 531 N LEU A 31 -11.263 5.195 6.825 1.00 0.00 N ATOM 532 CA LEU A 31 -11.083 4.183 7.913 1.00 0.00 C ATOM 533 C LEU A 31 -12.367 3.359 8.294 1.00 0.00 C ATOM 534 O LEU A 31 -12.273 2.139 8.438 1.00 0.00 O ATOM 535 CB LEU A 31 -10.424 4.896 9.128 1.00 0.00 C ATOM 536 CG LEU A 31 -9.883 3.984 10.265 1.00 0.00 C ATOM 537 CD1 LEU A 31 -8.649 3.162 9.842 1.00 0.00 C ATOM 538 CD2 LEU A 31 -9.522 4.828 11.497 1.00 0.00 C ATOM 0 H LEU A 31 -11.044 6.149 7.112 1.00 0.00 H new ATOM 0 HA LEU A 31 -10.426 3.401 7.533 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.599 5.505 8.758 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -11.156 5.579 9.559 1.00 0.00 H new ATOM 0 HG LEU A 31 -10.683 3.282 10.502 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -8.318 2.546 10.678 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.910 2.521 9.000 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.845 3.837 9.549 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -9.144 4.177 12.286 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -8.755 5.555 11.228 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -10.410 5.351 11.852 1.00 0.00 H new ATOM 550 N GLN A 32 -13.551 3.992 8.404 1.00 0.00 N ATOM 551 CA GLN A 32 -14.871 3.294 8.457 1.00 0.00 C ATOM 552 C GLN A 32 -15.191 2.315 7.264 1.00 0.00 C ATOM 553 O GLN A 32 -15.635 1.190 7.514 1.00 0.00 O ATOM 554 CB GLN A 32 -15.904 4.438 8.665 1.00 0.00 C ATOM 555 CG GLN A 32 -17.377 4.025 8.885 1.00 0.00 C ATOM 556 CD GLN A 32 -18.275 5.193 9.326 1.00 0.00 C ATOM 557 OE1 GLN A 32 -18.624 6.096 8.566 1.00 0.00 O ATOM 558 NE2 GLN A 32 -18.668 5.223 10.577 1.00 0.00 N ATOM 0 H GLN A 32 -13.630 5.007 8.460 1.00 0.00 H new ATOM 0 HA GLN A 32 -14.891 2.573 9.274 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -15.586 5.029 9.524 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -15.863 5.093 7.795 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -17.771 3.602 7.961 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -17.418 3.239 9.639 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -18.386 4.481 11.218 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -19.255 5.988 10.909 1.00 0.00 H new ATOM 567 N GLU A 33 -14.928 2.697 5.998 1.00 0.00 N ATOM 568 CA GLU A 33 -14.937 1.741 4.849 1.00 0.00 C ATOM 569 C GLU A 33 -13.807 0.647 4.861 1.00 0.00 C ATOM 570 O GLU A 33 -14.097 -0.513 4.562 1.00 0.00 O ATOM 571 CB GLU A 33 -15.018 2.545 3.523 1.00 0.00 C ATOM 572 CG GLU A 33 -15.295 1.708 2.240 1.00 0.00 C ATOM 573 CD GLU A 33 -16.575 0.876 2.198 1.00 0.00 C ATOM 574 OE1 GLU A 33 -17.609 1.263 2.785 1.00 0.00 O ATOM 575 OE2 GLU A 33 -16.571 -0.201 1.560 1.00 0.00 O ATOM 0 H GLU A 33 -14.706 3.657 5.735 1.00 0.00 H new ATOM 0 HA GLU A 33 -15.831 1.127 4.952 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -15.803 3.295 3.622 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -14.079 3.083 3.388 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -15.311 2.391 1.391 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -14.452 1.034 2.091 1.00 0.00 H new ATOM 582 N LEU A 34 -12.549 0.962 5.238 1.00 0.00 N ATOM 583 CA LEU A 34 -11.502 -0.066 5.544 1.00 0.00 C ATOM 584 C LEU A 34 -11.871 -1.100 6.663 1.00 0.00 C ATOM 585 O LEU A 34 -11.647 -2.295 6.467 1.00 0.00 O ATOM 586 CB LEU A 34 -10.144 0.623 5.866 1.00 0.00 C ATOM 587 CG LEU A 34 -9.437 1.384 4.714 1.00 0.00 C ATOM 588 CD1 LEU A 34 -8.301 2.250 5.284 1.00 0.00 C ATOM 589 CD2 LEU A 34 -8.883 0.440 3.631 1.00 0.00 C ATOM 0 H LEU A 34 -12.222 1.923 5.341 1.00 0.00 H new ATOM 0 HA LEU A 34 -11.424 -0.661 4.634 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -10.309 1.326 6.682 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -9.459 -0.140 6.236 1.00 0.00 H new ATOM 0 HG LEU A 34 -10.187 2.015 4.236 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.807 2.783 4.472 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.712 2.969 5.992 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.578 1.613 5.793 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -8.399 1.026 2.850 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -8.157 -0.239 4.077 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -9.701 -0.136 3.198 1.00 0.00 H new ATOM 601 N GLU A 35 -12.471 -0.666 7.789 1.00 0.00 N ATOM 602 CA GLU A 35 -13.159 -1.561 8.769 1.00 0.00 C ATOM 603 C GLU A 35 -14.225 -2.528 8.141 1.00 0.00 C ATOM 604 O GLU A 35 -14.084 -3.750 8.247 1.00 0.00 O ATOM 605 CB GLU A 35 -13.719 -0.623 9.880 1.00 0.00 C ATOM 606 CG GLU A 35 -14.130 -1.303 11.207 1.00 0.00 C ATOM 607 CD GLU A 35 -15.558 -1.812 11.287 1.00 0.00 C ATOM 608 OE1 GLU A 35 -15.810 -2.985 10.953 1.00 0.00 O ATOM 609 OE2 GLU A 35 -16.428 -1.086 11.817 1.00 0.00 O ATOM 0 H GLU A 35 -12.498 0.318 8.055 1.00 0.00 H new ATOM 0 HA GLU A 35 -12.452 -2.277 9.188 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -12.965 0.133 10.102 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -14.588 -0.100 9.480 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -13.457 -2.142 11.384 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -13.974 -0.592 12.019 1.00 0.00 H new ATOM 616 N LYS A 36 -15.214 -1.981 7.407 1.00 0.00 N ATOM 617 CA LYS A 36 -16.150 -2.758 6.540 1.00 0.00 C ATOM 618 C LYS A 36 -15.475 -3.736 5.509 1.00 0.00 C ATOM 619 O LYS A 36 -15.854 -4.909 5.459 1.00 0.00 O ATOM 620 CB LYS A 36 -17.099 -1.689 5.916 1.00 0.00 C ATOM 621 CG LYS A 36 -18.313 -2.144 5.070 1.00 0.00 C ATOM 622 CD LYS A 36 -17.950 -2.685 3.663 1.00 0.00 C ATOM 623 CE LYS A 36 -19.027 -2.496 2.578 1.00 0.00 C ATOM 624 NZ LYS A 36 -19.005 -1.088 2.094 1.00 0.00 N ATOM 0 H LYS A 36 -15.395 -0.977 7.393 1.00 0.00 H new ATOM 0 HA LYS A 36 -16.707 -3.485 7.131 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -17.482 -1.077 6.732 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -16.490 -1.039 5.288 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -18.850 -2.920 5.616 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -18.997 -1.303 4.957 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -17.035 -2.195 3.330 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -17.729 -3.749 3.749 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -18.846 -3.179 1.748 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -20.010 -2.738 2.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -19.834 -0.915 1.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -19.028 -0.441 2.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -18.137 -0.923 1.545 1.00 0.00 H new ATOM 638 N ALA A 37 -14.490 -3.286 4.706 1.00 0.00 N ATOM 639 CA ALA A 37 -13.681 -4.171 3.824 1.00 0.00 C ATOM 640 C ALA A 37 -12.854 -5.295 4.536 1.00 0.00 C ATOM 641 O ALA A 37 -12.936 -6.450 4.115 1.00 0.00 O ATOM 642 CB ALA A 37 -12.804 -3.252 2.952 1.00 0.00 C ATOM 0 H ALA A 37 -14.228 -2.302 4.646 1.00 0.00 H new ATOM 0 HA ALA A 37 -14.372 -4.762 3.223 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -12.191 -3.859 2.286 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -13.442 -2.595 2.360 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -12.159 -2.651 3.592 1.00 0.00 H new ATOM 648 N LEU A 38 -12.112 -4.991 5.621 1.00 0.00 N ATOM 649 CA LEU A 38 -11.489 -6.020 6.509 1.00 0.00 C ATOM 650 C LEU A 38 -12.489 -7.024 7.176 1.00 0.00 C ATOM 651 O LEU A 38 -12.247 -8.232 7.116 1.00 0.00 O ATOM 652 CB LEU A 38 -10.603 -5.313 7.580 1.00 0.00 C ATOM 653 CG LEU A 38 -9.310 -4.610 7.081 1.00 0.00 C ATOM 654 CD1 LEU A 38 -8.732 -3.711 8.187 1.00 0.00 C ATOM 655 CD2 LEU A 38 -8.237 -5.614 6.625 1.00 0.00 C ATOM 0 H LEU A 38 -11.923 -4.032 5.914 1.00 0.00 H new ATOM 0 HA LEU A 38 -10.879 -6.647 5.859 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -11.217 -4.570 8.089 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -10.318 -6.055 8.326 1.00 0.00 H new ATOM 0 HG LEU A 38 -9.590 -4.006 6.218 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.827 -3.225 7.824 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -9.466 -2.953 8.461 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -8.493 -4.317 9.061 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -7.354 -5.073 6.286 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.968 -6.262 7.459 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -8.629 -6.219 5.807 1.00 0.00 H new ATOM 667 N ALA A 39 -13.607 -6.551 7.769 1.00 0.00 N ATOM 668 CA ALA A 39 -14.700 -7.431 8.271 1.00 0.00 C ATOM 669 C ALA A 39 -15.423 -8.323 7.206 1.00 0.00 C ATOM 670 O ALA A 39 -15.685 -9.497 7.475 1.00 0.00 O ATOM 671 CB ALA A 39 -15.672 -6.515 9.041 1.00 0.00 C ATOM 0 H ALA A 39 -13.782 -5.557 7.915 1.00 0.00 H new ATOM 0 HA ALA A 39 -14.256 -8.193 8.912 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -16.498 -7.109 9.434 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -15.144 -6.037 9.866 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -16.062 -5.751 8.368 1.00 0.00 H new ATOM 677 N ARG A 40 -15.696 -7.801 5.994 1.00 0.00 N ATOM 678 CA ARG A 40 -16.112 -8.626 4.823 1.00 0.00 C ATOM 679 C ARG A 40 -15.046 -9.641 4.271 1.00 0.00 C ATOM 680 O ARG A 40 -15.421 -10.746 3.873 1.00 0.00 O ATOM 681 CB ARG A 40 -16.616 -7.630 3.741 1.00 0.00 C ATOM 682 CG ARG A 40 -17.432 -8.268 2.592 1.00 0.00 C ATOM 683 CD ARG A 40 -17.833 -7.233 1.527 1.00 0.00 C ATOM 684 NE ARG A 40 -18.715 -7.886 0.524 1.00 0.00 N ATOM 685 CZ ARG A 40 -19.007 -7.404 -0.685 1.00 0.00 C ATOM 686 NH1 ARG A 40 -18.537 -6.272 -1.149 1.00 0.00 N ATOM 687 NH2 ARG A 40 -19.800 -8.098 -1.448 1.00 0.00 N ATOM 0 H ARG A 40 -15.637 -6.803 5.791 1.00 0.00 H new ATOM 0 HA ARG A 40 -16.898 -9.307 5.149 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -17.231 -6.872 4.226 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -15.755 -7.116 3.313 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -16.845 -9.059 2.126 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -18.329 -8.735 3.000 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -18.350 -6.394 1.993 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -16.945 -6.830 1.041 1.00 0.00 H new ATOM 0 HE ARG A 40 -19.133 -8.780 0.783 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -17.911 -5.707 -0.576 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -18.798 -5.956 -2.083 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -20.180 -8.985 -1.116 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -20.042 -7.755 -2.378 1.00 0.00 H new ATOM 701 N ALA A 41 -13.753 -9.273 4.223 1.00 0.00 N ATOM 702 CA ALA A 41 -12.659 -10.173 3.773 1.00 0.00 C ATOM 703 C ALA A 41 -12.231 -11.288 4.785 1.00 0.00 C ATOM 704 O ALA A 41 -12.212 -12.459 4.400 1.00 0.00 O ATOM 705 CB ALA A 41 -11.486 -9.265 3.348 1.00 0.00 C ATOM 0 H ALA A 41 -13.430 -8.344 4.494 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.028 -10.770 2.939 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -10.654 -9.881 3.008 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.808 -8.610 2.538 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.167 -8.661 4.198 1.00 0.00 H new ATOM 711 N GLY A 42 -11.863 -10.947 6.039 1.00 0.00 N ATOM 712 CA GLY A 42 -11.481 -11.954 7.070 1.00 0.00 C ATOM 713 C GLY A 42 -10.120 -12.668 6.885 1.00 0.00 C ATOM 714 O GLY A 42 -10.086 -13.884 6.694 1.00 0.00 O ATOM 0 H GLY A 42 -11.820 -9.983 6.368 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -11.474 -11.459 8.041 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -12.261 -12.715 7.105 1.00 0.00 H new ATOM 718 N ALA A 43 -9.008 -11.919 6.958 1.00 0.00 N ATOM 719 CA ALA A 43 -7.648 -12.470 6.709 1.00 0.00 C ATOM 720 C ALA A 43 -6.856 -12.823 8.005 1.00 0.00 C ATOM 721 O ALA A 43 -7.009 -12.186 9.055 1.00 0.00 O ATOM 722 CB ALA A 43 -6.909 -11.428 5.852 1.00 0.00 C ATOM 0 H ALA A 43 -9.015 -10.925 7.188 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.735 -13.427 6.195 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.901 -11.782 5.638 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.447 -11.279 4.916 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.855 -10.484 6.394 1.00 0.00 H new ATOM 728 N ARG A 44 -5.973 -13.837 7.911 1.00 0.00 N ATOM 729 CA ARG A 44 -5.185 -14.339 9.071 1.00 0.00 C ATOM 730 C ARG A 44 -4.150 -13.332 9.674 1.00 0.00 C ATOM 731 O ARG A 44 -4.189 -13.091 10.883 1.00 0.00 O ATOM 732 CB ARG A 44 -4.522 -15.685 8.668 1.00 0.00 C ATOM 733 CG ARG A 44 -3.942 -16.471 9.870 1.00 0.00 C ATOM 734 CD ARG A 44 -3.033 -17.617 9.424 1.00 0.00 C ATOM 735 NE ARG A 44 -2.440 -18.279 10.610 1.00 0.00 N ATOM 736 CZ ARG A 44 -1.724 -19.402 10.566 1.00 0.00 C ATOM 737 NH1 ARG A 44 -1.341 -19.994 9.456 1.00 0.00 N ATOM 738 NH2 ARG A 44 -1.385 -19.945 11.697 1.00 0.00 N ATOM 0 H ARG A 44 -5.782 -14.332 7.040 1.00 0.00 H new ATOM 0 HA ARG A 44 -5.888 -14.483 9.892 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -5.259 -16.306 8.159 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -3.723 -15.488 7.953 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -3.380 -15.791 10.510 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -4.760 -16.870 10.470 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.603 -18.339 8.840 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.244 -17.236 8.776 1.00 0.00 H new ATOM 0 HE ARG A 44 -2.590 -17.846 11.521 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.591 -19.594 8.552 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -0.793 -20.853 9.499 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -1.667 -19.511 12.576 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.837 -20.805 11.706 1.00 0.00 H new ATOM 752 N ASN A 45 -3.215 -12.790 8.874 1.00 0.00 N ATOM 753 CA ASN A 45 -2.257 -11.757 9.354 1.00 0.00 C ATOM 754 C ASN A 45 -2.584 -10.425 8.618 1.00 0.00 C ATOM 755 O ASN A 45 -2.653 -10.382 7.387 1.00 0.00 O ATOM 756 CB ASN A 45 -0.774 -12.176 9.162 1.00 0.00 C ATOM 757 CG ASN A 45 -0.266 -13.456 9.839 1.00 0.00 C ATOM 758 OD1 ASN A 45 -0.990 -14.275 10.396 1.00 0.00 O ATOM 759 ND2 ASN A 45 1.024 -13.682 9.781 1.00 0.00 N ATOM 0 H ASN A 45 -3.096 -13.044 7.893 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.376 -11.630 10.430 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.598 -12.279 8.091 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.152 -11.351 9.510 1.00 0.00 H new ATOM 0 HD21 ASN A 45 1.412 -14.529 10.195 1.00 0.00 H new ATOM 0 HD22 ASN A 45 1.639 -13.011 9.321 1.00 0.00 H new ATOM 766 N VAL A 46 -2.796 -9.330 9.359 1.00 0.00 N ATOM 767 CA VAL A 46 -2.991 -7.983 8.743 1.00 0.00 C ATOM 768 C VAL A 46 -1.957 -7.050 9.435 1.00 0.00 C ATOM 769 O VAL A 46 -2.030 -6.818 10.647 1.00 0.00 O ATOM 770 CB VAL A 46 -4.466 -7.460 8.816 1.00 0.00 C ATOM 771 CG1 VAL A 46 -4.648 -6.165 7.989 1.00 0.00 C ATOM 772 CG2 VAL A 46 -5.531 -8.454 8.298 1.00 0.00 C ATOM 0 H VAL A 46 -2.839 -9.335 10.378 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.817 -8.021 7.668 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.623 -7.297 9.882 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.683 -5.829 8.061 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.987 -5.390 8.377 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.403 -6.362 6.945 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.521 -8.006 8.387 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.332 -8.688 7.252 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.492 -9.369 8.889 1.00 0.00 H new ATOM 782 N GLN A 47 -0.976 -6.534 8.676 1.00 0.00 N ATOM 783 CA GLN A 47 0.125 -5.716 9.254 1.00 0.00 C ATOM 784 C GLN A 47 0.030 -4.230 8.777 1.00 0.00 C ATOM 785 O GLN A 47 0.489 -3.858 7.694 1.00 0.00 O ATOM 786 CB GLN A 47 1.467 -6.487 9.106 1.00 0.00 C ATOM 787 CG GLN A 47 2.105 -6.659 7.704 1.00 0.00 C ATOM 788 CD GLN A 47 3.479 -7.338 7.719 1.00 0.00 C ATOM 789 OE1 GLN A 47 4.519 -6.696 7.838 1.00 0.00 O ATOM 790 NE2 GLN A 47 3.554 -8.641 7.627 1.00 0.00 N ATOM 0 H GLN A 47 -0.915 -6.663 7.666 1.00 0.00 H new ATOM 0 HA GLN A 47 0.039 -5.586 10.333 1.00 0.00 H new ATOM 0 HB2 GLN A 47 2.201 -5.987 9.738 1.00 0.00 H new ATOM 0 HB3 GLN A 47 1.317 -7.484 9.520 1.00 0.00 H new ATOM 0 HG2 GLN A 47 1.430 -7.244 7.079 1.00 0.00 H new ATOM 0 HG3 GLN A 47 2.202 -5.678 7.238 1.00 0.00 H new ATOM 0 HE21 GLN A 47 2.703 -9.195 7.528 1.00 0.00 H new ATOM 0 HE22 GLN A 47 4.463 -9.103 7.655 1.00 0.00 H new ATOM 799 N ILE A 48 -0.623 -3.382 9.594 1.00 0.00 N ATOM 800 CA ILE A 48 -1.040 -2.001 9.201 1.00 0.00 C ATOM 801 C ILE A 48 0.091 -1.003 9.605 1.00 0.00 C ATOM 802 O ILE A 48 0.485 -0.995 10.775 1.00 0.00 O ATOM 803 CB ILE A 48 -2.425 -1.621 9.852 1.00 0.00 C ATOM 804 CG1 ILE A 48 -3.619 -2.569 9.517 1.00 0.00 C ATOM 805 CG2 ILE A 48 -2.871 -0.192 9.459 1.00 0.00 C ATOM 806 CD1 ILE A 48 -3.758 -3.765 10.468 1.00 0.00 C ATOM 0 H ILE A 48 -0.882 -3.626 10.550 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.184 -1.951 8.122 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.214 -1.712 10.917 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -4.544 -1.992 9.539 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.499 -2.940 8.499 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.829 0.032 9.928 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.125 0.528 9.797 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -2.973 -0.128 8.376 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -4.611 -4.373 10.166 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.851 -4.368 10.429 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.911 -3.405 11.485 1.00 0.00 H new ATOM 818 N THR A 49 0.591 -0.155 8.679 1.00 0.00 N ATOM 819 CA THR A 49 1.696 0.811 8.997 1.00 0.00 C ATOM 820 C THR A 49 1.266 2.243 8.582 1.00 0.00 C ATOM 821 O THR A 49 1.040 2.504 7.394 1.00 0.00 O ATOM 822 CB THR A 49 3.059 0.401 8.352 1.00 0.00 C ATOM 823 OG1 THR A 49 3.314 -0.979 8.578 1.00 0.00 O ATOM 824 CG2 THR A 49 4.271 1.191 8.885 1.00 0.00 C ATOM 0 H THR A 49 0.261 -0.110 7.715 1.00 0.00 H new ATOM 0 HA THR A 49 1.866 0.790 10.073 1.00 0.00 H new ATOM 0 HB THR A 49 2.951 0.628 7.291 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.169 -1.225 8.168 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.177 0.846 8.387 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.129 2.253 8.686 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.365 1.033 9.959 1.00 0.00 H new ATOM 832 N ILE A 50 1.174 3.160 9.561 1.00 0.00 N ATOM 833 CA ILE A 50 0.841 4.590 9.313 1.00 0.00 C ATOM 834 C ILE A 50 2.084 5.494 9.600 1.00 0.00 C ATOM 835 O ILE A 50 2.494 5.657 10.754 1.00 0.00 O ATOM 836 CB ILE A 50 -0.486 4.977 10.059 1.00 0.00 C ATOM 837 CG1 ILE A 50 -1.189 6.259 9.527 1.00 0.00 C ATOM 838 CG2 ILE A 50 -0.429 4.988 11.602 1.00 0.00 C ATOM 839 CD1 ILE A 50 -0.413 7.584 9.612 1.00 0.00 C ATOM 0 H ILE A 50 1.326 2.941 10.545 1.00 0.00 H new ATOM 0 HA ILE A 50 0.619 4.763 8.260 1.00 0.00 H new ATOM 0 HB ILE A 50 -1.112 4.125 9.793 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.451 6.090 8.483 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -2.124 6.381 10.074 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.404 5.270 12.000 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -0.163 3.995 11.963 1.00 0.00 H new ATOM 0 HG23 ILE A 50 0.320 5.707 11.933 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.024 8.390 9.206 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.174 7.799 10.653 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.509 7.503 9.037 1.00 0.00 H new ATOM 851 N SER A 51 2.646 6.135 8.557 1.00 0.00 N ATOM 852 CA SER A 51 3.640 7.233 8.730 1.00 0.00 C ATOM 853 C SER A 51 2.951 8.570 9.156 1.00 0.00 C ATOM 854 O SER A 51 2.437 9.310 8.310 1.00 0.00 O ATOM 855 CB SER A 51 4.444 7.360 7.416 1.00 0.00 C ATOM 856 OG SER A 51 5.437 8.379 7.527 1.00 0.00 O ATOM 0 H SER A 51 2.434 5.918 7.583 1.00 0.00 H new ATOM 0 HA SER A 51 4.328 6.998 9.542 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.919 6.407 7.181 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.769 7.592 6.592 1.00 0.00 H new ATOM 0 HG SER A 51 5.936 8.443 6.686 1.00 0.00 H new ATOM 862 N ALA A 52 2.905 8.856 10.471 1.00 0.00 N ATOM 863 CA ALA A 52 2.167 10.028 11.008 1.00 0.00 C ATOM 864 C ALA A 52 2.999 11.350 11.027 1.00 0.00 C ATOM 865 O ALA A 52 4.228 11.353 11.179 1.00 0.00 O ATOM 866 CB ALA A 52 1.665 9.641 12.414 1.00 0.00 C ATOM 0 H ALA A 52 3.368 8.295 11.186 1.00 0.00 H new ATOM 0 HA ALA A 52 1.334 10.257 10.343 1.00 0.00 H new ATOM 0 HB1 ALA A 52 1.115 10.477 12.847 1.00 0.00 H new ATOM 0 HB2 ALA A 52 1.008 8.774 12.340 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.516 9.398 13.050 1.00 0.00 H new ATOM 872 N GLU A 53 2.285 12.483 10.918 1.00 0.00 N ATOM 873 CA GLU A 53 2.906 13.842 10.896 1.00 0.00 C ATOM 874 C GLU A 53 3.503 14.317 12.271 1.00 0.00 C ATOM 875 O GLU A 53 4.596 14.888 12.298 1.00 0.00 O ATOM 876 CB GLU A 53 1.866 14.872 10.354 1.00 0.00 C ATOM 877 CG GLU A 53 1.247 14.637 8.946 1.00 0.00 C ATOM 878 CD GLU A 53 2.203 14.703 7.766 1.00 0.00 C ATOM 879 OE1 GLU A 53 2.385 15.798 7.197 1.00 0.00 O ATOM 880 OE2 GLU A 53 2.738 13.646 7.374 1.00 0.00 O ATOM 0 H GLU A 53 1.268 12.496 10.842 1.00 0.00 H new ATOM 0 HA GLU A 53 3.767 13.778 10.231 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.047 14.923 11.071 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.344 15.852 10.346 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.768 13.658 8.943 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.462 15.377 8.791 1.00 0.00 H new ATOM 887 N ASN A 54 2.785 14.101 13.391 1.00 0.00 N ATOM 888 CA ASN A 54 3.217 14.522 14.755 1.00 0.00 C ATOM 889 C ASN A 54 3.182 13.319 15.757 1.00 0.00 C ATOM 890 O ASN A 54 2.420 12.356 15.600 1.00 0.00 O ATOM 891 CB ASN A 54 2.301 15.684 15.242 1.00 0.00 C ATOM 892 CG ASN A 54 2.493 17.023 14.518 1.00 0.00 C ATOM 893 OD1 ASN A 54 3.441 17.761 14.761 1.00 0.00 O ATOM 894 ND2 ASN A 54 1.612 17.389 13.619 1.00 0.00 N ATOM 0 H ASN A 54 1.882 13.627 13.383 1.00 0.00 H new ATOM 0 HA ASN A 54 4.249 14.871 14.712 1.00 0.00 H new ATOM 0 HB2 ASN A 54 1.262 15.376 15.130 1.00 0.00 H new ATOM 0 HB3 ASN A 54 2.474 15.838 16.307 1.00 0.00 H new ATOM 0 HD21 ASN A 54 1.720 18.278 13.131 1.00 0.00 H new ATOM 0 HD22 ASN A 54 0.818 16.784 13.407 1.00 0.00 H new ATOM 901 N ASP A 55 3.980 13.406 16.834 1.00 0.00 N ATOM 902 CA ASP A 55 3.969 12.430 17.968 1.00 0.00 C ATOM 903 C ASP A 55 2.612 12.237 18.742 1.00 0.00 C ATOM 904 O ASP A 55 2.209 11.095 18.985 1.00 0.00 O ATOM 905 CB ASP A 55 5.187 12.735 18.886 1.00 0.00 C ATOM 906 CG ASP A 55 5.263 14.129 19.521 1.00 0.00 C ATOM 907 OD1 ASP A 55 5.489 15.110 18.780 1.00 0.00 O ATOM 908 OD2 ASP A 55 5.080 14.243 20.751 1.00 0.00 O ATOM 0 H ASP A 55 4.660 14.156 16.956 1.00 0.00 H new ATOM 0 HA ASP A 55 4.067 11.439 17.525 1.00 0.00 H new ATOM 0 HB2 ASP A 55 5.196 11.998 19.689 1.00 0.00 H new ATOM 0 HB3 ASP A 55 6.095 12.581 18.303 1.00 0.00 H new ATOM 913 N GLU A 56 1.867 13.315 19.062 1.00 0.00 N ATOM 914 CA GLU A 56 0.455 13.212 19.554 1.00 0.00 C ATOM 915 C GLU A 56 -0.564 12.556 18.552 1.00 0.00 C ATOM 916 O GLU A 56 -1.381 11.731 18.972 1.00 0.00 O ATOM 917 CB GLU A 56 -0.048 14.593 20.054 1.00 0.00 C ATOM 918 CG GLU A 56 0.662 15.142 21.319 1.00 0.00 C ATOM 919 CD GLU A 56 0.007 16.380 21.914 1.00 0.00 C ATOM 920 OE1 GLU A 56 0.274 17.497 21.425 1.00 0.00 O ATOM 921 OE2 GLU A 56 -0.764 16.237 22.885 1.00 0.00 O ATOM 0 H GLU A 56 2.210 14.273 18.992 1.00 0.00 H new ATOM 0 HA GLU A 56 0.494 12.511 20.388 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.071 15.317 19.248 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.116 14.519 20.261 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.688 14.359 22.076 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.696 15.377 21.068 1.00 0.00 H new ATOM 928 N GLN A 57 -0.481 12.851 17.238 1.00 0.00 N ATOM 929 CA GLN A 57 -1.196 12.070 16.180 1.00 0.00 C ATOM 930 C GLN A 57 -0.795 10.555 16.094 1.00 0.00 C ATOM 931 O GLN A 57 -1.686 9.707 16.007 1.00 0.00 O ATOM 932 CB GLN A 57 -1.037 12.766 14.800 1.00 0.00 C ATOM 933 CG GLN A 57 -1.725 14.150 14.677 1.00 0.00 C ATOM 934 CD GLN A 57 -1.517 14.818 13.317 1.00 0.00 C ATOM 935 OE1 GLN A 57 -0.524 15.493 13.071 1.00 0.00 O ATOM 936 NE2 GLN A 57 -2.434 14.659 12.392 1.00 0.00 N ATOM 0 H GLN A 57 0.074 13.625 16.873 1.00 0.00 H new ATOM 0 HA GLN A 57 -2.245 12.064 16.476 1.00 0.00 H new ATOM 0 HB2 GLN A 57 0.026 12.887 14.592 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -1.440 12.108 14.030 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -2.794 14.032 14.855 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -1.342 14.807 15.458 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -3.264 14.099 12.587 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -2.317 15.095 11.478 1.00 0.00 H new ATOM 945 N ALA A 58 0.505 10.202 16.163 1.00 0.00 N ATOM 946 CA ALA A 58 0.964 8.807 16.408 1.00 0.00 C ATOM 947 C ALA A 58 0.384 8.084 17.676 1.00 0.00 C ATOM 948 O ALA A 58 -0.077 6.946 17.555 1.00 0.00 O ATOM 949 CB ALA A 58 2.505 8.848 16.398 1.00 0.00 C ATOM 0 H ALA A 58 1.269 10.869 16.052 1.00 0.00 H new ATOM 0 HA ALA A 58 0.562 8.179 15.613 1.00 0.00 H new ATOM 0 HB1 ALA A 58 2.897 7.846 16.574 1.00 0.00 H new ATOM 0 HB2 ALA A 58 2.853 9.209 15.430 1.00 0.00 H new ATOM 0 HB3 ALA A 58 2.856 9.518 17.183 1.00 0.00 H new ATOM 955 N LYS A 59 0.325 8.744 18.852 1.00 0.00 N ATOM 956 CA LYS A 59 -0.490 8.279 20.018 1.00 0.00 C ATOM 957 C LYS A 59 -2.014 8.028 19.709 1.00 0.00 C ATOM 958 O LYS A 59 -2.497 6.917 19.953 1.00 0.00 O ATOM 959 CB LYS A 59 -0.259 9.290 21.178 1.00 0.00 C ATOM 960 CG LYS A 59 -0.925 8.929 22.535 1.00 0.00 C ATOM 961 CD LYS A 59 -1.568 10.151 23.232 1.00 0.00 C ATOM 962 CE LYS A 59 -2.434 9.823 24.467 1.00 0.00 C ATOM 963 NZ LYS A 59 -3.702 9.138 24.079 1.00 0.00 N ATOM 0 H LYS A 59 0.834 9.610 19.030 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.149 7.284 20.303 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.814 9.391 21.338 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.628 10.266 20.862 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.688 8.168 22.369 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.177 8.491 23.196 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.775 10.835 23.535 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -2.185 10.680 22.506 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.870 9.188 25.150 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.666 10.742 25.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.212 8.841 24.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.296 9.792 23.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -3.482 8.303 23.500 1.00 0.00 H new ATOM 977 N GLU A 60 -2.750 9.019 19.162 1.00 0.00 N ATOM 978 CA GLU A 60 -4.162 8.832 18.701 1.00 0.00 C ATOM 979 C GLU A 60 -4.383 7.681 17.659 1.00 0.00 C ATOM 980 O GLU A 60 -5.260 6.836 17.856 1.00 0.00 O ATOM 981 CB GLU A 60 -4.729 10.173 18.155 1.00 0.00 C ATOM 982 CG GLU A 60 -4.900 11.324 19.176 1.00 0.00 C ATOM 983 CD GLU A 60 -5.571 12.557 18.590 1.00 0.00 C ATOM 984 OE1 GLU A 60 -4.929 13.268 17.787 1.00 0.00 O ATOM 985 OE2 GLU A 60 -6.743 12.819 18.934 1.00 0.00 O ATOM 0 H GLU A 60 -2.396 9.966 19.024 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.710 8.514 19.588 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.072 10.521 17.358 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.700 9.972 17.703 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.489 10.966 20.021 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.921 11.603 19.565 1.00 0.00 H new ATOM 992 N LEU A 61 -3.577 7.621 16.582 1.00 0.00 N ATOM 993 CA LEU A 61 -3.583 6.497 15.603 1.00 0.00 C ATOM 994 C LEU A 61 -3.209 5.084 16.165 1.00 0.00 C ATOM 995 O LEU A 61 -3.861 4.108 15.789 1.00 0.00 O ATOM 996 CB LEU A 61 -2.674 6.898 14.410 1.00 0.00 C ATOM 997 CG LEU A 61 -3.216 8.020 13.481 1.00 0.00 C ATOM 998 CD1 LEU A 61 -2.064 8.643 12.682 1.00 0.00 C ATOM 999 CD2 LEU A 61 -4.298 7.500 12.516 1.00 0.00 C ATOM 0 H LEU A 61 -2.898 8.349 16.358 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.619 6.359 15.294 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.710 7.217 14.806 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.492 6.010 13.805 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.676 8.776 14.117 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.454 9.428 12.034 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.333 9.069 13.369 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.586 7.875 12.074 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.648 8.318 11.886 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.879 6.713 11.889 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.135 7.100 13.089 1.00 0.00 H new ATOM 1011 N LEU A 62 -2.225 4.960 17.079 1.00 0.00 N ATOM 1012 CA LEU A 62 -2.009 3.727 17.895 1.00 0.00 C ATOM 1013 C LEU A 62 -3.274 3.218 18.671 1.00 0.00 C ATOM 1014 O LEU A 62 -3.696 2.078 18.460 1.00 0.00 O ATOM 1015 CB LEU A 62 -0.758 3.990 18.789 1.00 0.00 C ATOM 1016 CG LEU A 62 -0.311 2.881 19.777 1.00 0.00 C ATOM 1017 CD1 LEU A 62 0.005 1.540 19.096 1.00 0.00 C ATOM 1018 CD2 LEU A 62 0.920 3.349 20.571 1.00 0.00 C ATOM 0 H LEU A 62 -1.555 5.703 17.279 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.821 2.880 17.235 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.082 4.205 18.129 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.948 4.894 19.368 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.157 2.708 20.442 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.311 0.813 19.848 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.883 1.176 18.579 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.812 1.679 18.377 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.227 2.564 21.262 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.736 3.566 19.882 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.670 4.249 21.132 1.00 0.00 H new ATOM 1030 N GLU A 63 -3.901 4.069 19.503 1.00 0.00 N ATOM 1031 CA GLU A 63 -5.218 3.772 20.145 1.00 0.00 C ATOM 1032 C GLU A 63 -6.416 3.518 19.158 1.00 0.00 C ATOM 1033 O GLU A 63 -7.164 2.555 19.350 1.00 0.00 O ATOM 1034 CB GLU A 63 -5.503 4.912 21.167 1.00 0.00 C ATOM 1035 CG GLU A 63 -4.650 4.846 22.465 1.00 0.00 C ATOM 1036 CD GLU A 63 -4.544 6.144 23.248 1.00 0.00 C ATOM 1037 OE1 GLU A 63 -5.566 6.709 23.686 1.00 0.00 O ATOM 1038 OE2 GLU A 63 -3.409 6.629 23.439 1.00 0.00 O ATOM 0 H GLU A 63 -3.521 4.981 19.756 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.138 2.808 20.647 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.326 5.871 20.680 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.558 4.882 21.439 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -5.073 4.082 23.118 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.644 4.519 22.201 1.00 0.00 H new ATOM 1045 N LEU A 64 -6.587 4.331 18.097 1.00 0.00 N ATOM 1046 CA LEU A 64 -7.643 4.133 17.063 1.00 0.00 C ATOM 1047 C LEU A 64 -7.502 2.849 16.168 1.00 0.00 C ATOM 1048 O LEU A 64 -8.490 2.124 16.012 1.00 0.00 O ATOM 1049 CB LEU A 64 -7.739 5.457 16.256 1.00 0.00 C ATOM 1050 CG LEU A 64 -8.949 5.622 15.301 1.00 0.00 C ATOM 1051 CD1 LEU A 64 -10.291 5.721 16.051 1.00 0.00 C ATOM 1052 CD2 LEU A 64 -8.755 6.876 14.430 1.00 0.00 C ATOM 0 H LEU A 64 -6.000 5.147 17.925 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.584 3.918 17.569 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -7.754 6.284 16.966 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.828 5.560 15.667 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.990 4.728 14.679 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -11.102 5.835 15.332 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.449 4.814 16.635 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -10.273 6.583 16.717 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -9.607 6.989 13.760 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -8.677 7.755 15.070 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -7.843 6.773 13.842 1.00 0.00 H new ATOM 1064 N ILE A 65 -6.308 2.531 15.618 1.00 0.00 N ATOM 1065 CA ILE A 65 -6.044 1.210 14.949 1.00 0.00 C ATOM 1066 C ILE A 65 -6.186 -0.002 15.954 1.00 0.00 C ATOM 1067 O ILE A 65 -6.842 -0.984 15.599 1.00 0.00 O ATOM 1068 CB ILE A 65 -4.693 1.194 14.135 1.00 0.00 C ATOM 1069 CG1 ILE A 65 -4.537 2.331 13.077 1.00 0.00 C ATOM 1070 CG2 ILE A 65 -4.468 -0.163 13.403 1.00 0.00 C ATOM 1071 CD1 ILE A 65 -3.092 2.560 12.586 1.00 0.00 C ATOM 0 H ILE A 65 -5.506 3.161 15.618 1.00 0.00 H new ATOM 0 HA ILE A 65 -6.826 1.076 14.202 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.943 1.356 14.909 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.166 2.098 12.218 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.913 3.261 13.504 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -3.526 -0.129 12.855 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.433 -0.970 14.135 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.287 -0.341 12.706 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.080 3.368 11.854 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.458 2.827 13.432 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.715 1.647 12.125 1.00 0.00 H new ATOM 1083 N ALA A 66 -5.638 0.052 17.192 1.00 0.00 N ATOM 1084 CA ALA A 66 -5.935 -0.956 18.254 1.00 0.00 C ATOM 1085 C ALA A 66 -7.448 -1.178 18.603 1.00 0.00 C ATOM 1086 O ALA A 66 -7.894 -2.327 18.632 1.00 0.00 O ATOM 1087 CB ALA A 66 -5.103 -0.585 19.497 1.00 0.00 C ATOM 0 H ALA A 66 -4.987 0.781 17.486 1.00 0.00 H new ATOM 0 HA ALA A 66 -5.651 -1.929 17.854 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -5.298 -1.304 20.293 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -4.043 -0.602 19.244 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -5.379 0.414 19.835 1.00 0.00 H new ATOM 1093 N ARG A 67 -8.244 -0.106 18.789 1.00 0.00 N ATOM 1094 CA ARG A 67 -9.735 -0.178 18.847 1.00 0.00 C ATOM 1095 C ARG A 67 -10.446 -0.840 17.607 1.00 0.00 C ATOM 1096 O ARG A 67 -11.342 -1.664 17.799 1.00 0.00 O ATOM 1097 CB ARG A 67 -10.221 1.269 19.140 1.00 0.00 C ATOM 1098 CG ARG A 67 -11.723 1.417 19.486 1.00 0.00 C ATOM 1099 CD ARG A 67 -12.098 2.885 19.757 1.00 0.00 C ATOM 1100 NE ARG A 67 -13.555 2.993 20.043 1.00 0.00 N ATOM 1101 CZ ARG A 67 -14.214 4.134 20.248 1.00 0.00 C ATOM 1102 NH1 ARG A 67 -13.642 5.315 20.241 1.00 0.00 N ATOM 1103 NH2 ARG A 67 -15.496 4.077 20.466 1.00 0.00 N ATOM 0 H ARG A 67 -7.880 0.840 18.904 1.00 0.00 H new ATOM 0 HA ARG A 67 -10.025 -0.871 19.637 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -9.635 1.668 19.968 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -10.005 1.888 18.269 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -12.326 1.032 18.664 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -11.957 0.813 20.363 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -11.524 3.266 20.602 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -11.842 3.500 18.894 1.00 0.00 H new ATOM 0 HE ARG A 67 -14.091 2.126 20.085 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -12.639 5.395 20.072 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -14.200 6.153 20.404 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -15.972 3.175 20.477 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -16.025 4.934 20.626 1.00 0.00 H new ATOM 1117 N LEU A 68 -10.035 -0.524 16.362 1.00 0.00 N ATOM 1118 CA LEU A 68 -10.438 -1.289 15.142 1.00 0.00 C ATOM 1119 C LEU A 68 -10.102 -2.822 15.172 1.00 0.00 C ATOM 1120 O LEU A 68 -10.993 -3.647 14.959 1.00 0.00 O ATOM 1121 CB LEU A 68 -9.840 -0.538 13.924 1.00 0.00 C ATOM 1122 CG LEU A 68 -10.341 -1.023 12.535 1.00 0.00 C ATOM 1123 CD1 LEU A 68 -10.485 0.169 11.590 1.00 0.00 C ATOM 1124 CD2 LEU A 68 -9.413 -2.071 11.891 1.00 0.00 C ATOM 0 H LEU A 68 -9.417 0.263 16.164 1.00 0.00 H new ATOM 0 HA LEU A 68 -11.526 -1.313 15.080 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -10.068 0.523 14.024 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -8.755 -0.635 13.955 1.00 0.00 H new ATOM 0 HG LEU A 68 -11.306 -1.502 12.701 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -10.836 -0.178 10.618 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -11.203 0.877 12.004 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -9.518 0.659 11.473 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -9.817 -2.370 10.924 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -8.420 -1.642 11.753 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -9.344 -2.944 12.540 1.00 0.00 H new ATOM 1136 N LEU A 69 -8.841 -3.196 15.445 1.00 0.00 N ATOM 1137 CA LEU A 69 -8.401 -4.623 15.541 1.00 0.00 C ATOM 1138 C LEU A 69 -8.992 -5.437 16.748 1.00 0.00 C ATOM 1139 O LEU A 69 -9.316 -6.617 16.585 1.00 0.00 O ATOM 1140 CB LEU A 69 -6.850 -4.668 15.474 1.00 0.00 C ATOM 1141 CG LEU A 69 -6.185 -4.021 14.224 1.00 0.00 C ATOM 1142 CD1 LEU A 69 -4.664 -3.955 14.402 1.00 0.00 C ATOM 1143 CD2 LEU A 69 -6.555 -4.717 12.903 1.00 0.00 C ATOM 0 H LEU A 69 -8.088 -2.528 15.608 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.826 -5.149 14.686 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.457 -4.174 16.363 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.537 -5.711 15.524 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.583 -3.009 14.150 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.214 -3.500 13.520 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.426 -3.355 15.281 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.269 -4.962 14.532 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.056 -4.214 12.075 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.237 -5.759 12.939 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.634 -4.672 12.758 1.00 0.00 H new ATOM 1155 N GLN A 70 -9.203 -4.803 17.920 1.00 0.00 N ATOM 1156 CA GLN A 70 -10.125 -5.295 18.983 1.00 0.00 C ATOM 1157 C GLN A 70 -11.623 -5.495 18.543 1.00 0.00 C ATOM 1158 O GLN A 70 -12.179 -6.562 18.811 1.00 0.00 O ATOM 1159 CB GLN A 70 -9.957 -4.299 20.165 1.00 0.00 C ATOM 1160 CG GLN A 70 -10.678 -4.681 21.479 1.00 0.00 C ATOM 1161 CD GLN A 70 -10.571 -3.599 22.559 1.00 0.00 C ATOM 1162 OE1 GLN A 70 -11.266 -2.589 22.534 1.00 0.00 O ATOM 1163 NE2 GLN A 70 -9.705 -3.757 23.530 1.00 0.00 N ATOM 0 H GLN A 70 -8.738 -3.928 18.164 1.00 0.00 H new ATOM 0 HA GLN A 70 -9.853 -6.313 19.263 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -8.893 -4.191 20.375 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -10.319 -3.322 19.845 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -11.730 -4.872 21.267 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -10.256 -5.611 21.861 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -9.121 -4.593 23.562 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -9.615 -3.044 24.254 1.00 0.00 H new ATOM 1172 N LYS A 71 -12.260 -4.519 17.856 1.00 0.00 N ATOM 1173 CA LYS A 71 -13.591 -4.710 17.196 1.00 0.00 C ATOM 1174 C LYS A 71 -13.664 -5.869 16.138 1.00 0.00 C ATOM 1175 O LYS A 71 -14.613 -6.655 16.174 1.00 0.00 O ATOM 1176 CB LYS A 71 -14.054 -3.318 16.665 1.00 0.00 C ATOM 1177 CG LYS A 71 -15.465 -3.246 16.018 1.00 0.00 C ATOM 1178 CD LYS A 71 -15.460 -3.489 14.489 1.00 0.00 C ATOM 1179 CE LYS A 71 -16.828 -3.834 13.867 1.00 0.00 C ATOM 1180 NZ LYS A 71 -17.622 -2.606 13.590 1.00 0.00 N ATOM 0 H LYS A 71 -11.877 -3.581 17.739 1.00 0.00 H new ATOM 0 HA LYS A 71 -14.299 -5.076 17.940 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -14.025 -2.612 17.495 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -13.326 -2.976 15.930 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -16.111 -3.985 16.493 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -15.899 -2.267 16.220 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -15.072 -2.596 13.998 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -14.766 -4.300 14.270 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -16.679 -4.390 12.941 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -17.384 -4.484 14.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -18.379 -2.828 12.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -18.041 -2.256 14.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -17.001 -1.875 13.188 1.00 0.00 H new ATOM 1194 N LEU A 72 -12.682 -5.991 15.224 1.00 0.00 N ATOM 1195 CA LEU A 72 -12.492 -7.212 14.380 1.00 0.00 C ATOM 1196 C LEU A 72 -12.306 -8.571 15.153 1.00 0.00 C ATOM 1197 O LEU A 72 -12.881 -9.583 14.748 1.00 0.00 O ATOM 1198 CB LEU A 72 -11.291 -6.946 13.416 1.00 0.00 C ATOM 1199 CG LEU A 72 -11.550 -6.358 12.005 1.00 0.00 C ATOM 1200 CD1 LEU A 72 -12.228 -7.386 11.089 1.00 0.00 C ATOM 1201 CD2 LEU A 72 -12.324 -5.028 11.986 1.00 0.00 C ATOM 0 H LEU A 72 -11.997 -5.258 15.042 1.00 0.00 H new ATOM 0 HA LEU A 72 -13.427 -7.363 13.841 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -10.606 -6.271 13.929 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -10.766 -7.892 13.283 1.00 0.00 H new ATOM 0 HG LEU A 72 -10.558 -6.122 11.621 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -12.396 -6.943 10.107 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -11.587 -8.262 10.987 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -13.183 -7.684 11.521 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -12.455 -4.698 10.955 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -13.301 -5.169 12.449 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -11.765 -4.274 12.540 1.00 0.00 H new ATOM 1213 N GLY A 73 -11.491 -8.594 16.222 1.00 0.00 N ATOM 1214 CA GLY A 73 -11.206 -9.820 17.019 1.00 0.00 C ATOM 1215 C GLY A 73 -9.818 -10.476 16.829 1.00 0.00 C ATOM 1216 O GLY A 73 -9.719 -11.705 16.854 1.00 0.00 O ATOM 0 H GLY A 73 -11.006 -7.765 16.566 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -11.322 -9.572 18.074 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -11.967 -10.563 16.781 1.00 0.00 H new ATOM 1220 N TYR A 74 -8.744 -9.678 16.703 1.00 0.00 N ATOM 1221 CA TYR A 74 -7.359 -10.195 16.524 1.00 0.00 C ATOM 1222 C TYR A 74 -6.646 -10.334 17.905 1.00 0.00 C ATOM 1223 O TYR A 74 -6.504 -9.360 18.650 1.00 0.00 O ATOM 1224 CB TYR A 74 -6.577 -9.256 15.567 1.00 0.00 C ATOM 1225 CG TYR A 74 -6.889 -9.432 14.067 1.00 0.00 C ATOM 1226 CD1 TYR A 74 -7.927 -8.706 13.474 1.00 0.00 C ATOM 1227 CD2 TYR A 74 -6.144 -10.322 13.285 1.00 0.00 C ATOM 1228 CE1 TYR A 74 -8.234 -8.897 12.127 1.00 0.00 C ATOM 1229 CE2 TYR A 74 -6.445 -10.499 11.936 1.00 0.00 C ATOM 1230 CZ TYR A 74 -7.501 -9.796 11.362 1.00 0.00 C ATOM 1231 OH TYR A 74 -7.857 -10.020 10.057 1.00 0.00 O ATOM 0 H TYR A 74 -8.801 -8.660 16.721 1.00 0.00 H new ATOM 0 HA TYR A 74 -7.394 -11.188 16.077 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -6.788 -8.224 15.846 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -5.510 -9.416 15.720 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.492 -7.996 14.060 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -5.330 -10.875 13.730 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -9.045 -8.344 11.677 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -5.860 -11.181 11.336 1.00 0.00 H new ATOM 0 HH TYR A 74 -7.191 -10.599 9.631 1.00 0.00 H new ATOM 1241 N LYS A 75 -6.203 -11.556 18.243 1.00 0.00 N ATOM 1242 CA LYS A 75 -5.646 -11.868 19.594 1.00 0.00 C ATOM 1243 C LYS A 75 -4.142 -11.496 19.807 1.00 0.00 C ATOM 1244 O LYS A 75 -3.825 -10.882 20.829 1.00 0.00 O ATOM 1245 CB LYS A 75 -5.935 -13.358 19.946 1.00 0.00 C ATOM 1246 CG LYS A 75 -7.420 -13.797 20.050 1.00 0.00 C ATOM 1247 CD LYS A 75 -8.195 -13.157 21.230 1.00 0.00 C ATOM 1248 CE LYS A 75 -9.687 -13.539 21.318 1.00 0.00 C ATOM 1249 NZ LYS A 75 -9.868 -14.942 21.789 1.00 0.00 N ATOM 0 H LYS A 75 -6.215 -12.353 17.607 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.166 -11.212 20.292 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -5.453 -13.981 19.193 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -5.452 -13.578 20.898 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -7.927 -13.545 19.119 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.460 -14.882 20.151 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -7.707 -13.443 22.162 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -8.118 -12.073 21.149 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -10.198 -12.858 21.998 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -10.152 -13.420 20.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -10.883 -15.164 21.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -9.401 -15.594 21.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -9.446 -15.048 22.734 1.00 0.00 H new ATOM 1263 N ASP A 76 -3.225 -11.865 18.893 1.00 0.00 N ATOM 1264 CA ASP A 76 -1.776 -11.553 19.035 1.00 0.00 C ATOM 1265 C ASP A 76 -1.480 -10.176 18.368 1.00 0.00 C ATOM 1266 O ASP A 76 -1.513 -10.054 17.139 1.00 0.00 O ATOM 1267 CB ASP A 76 -0.932 -12.658 18.364 1.00 0.00 C ATOM 1268 CG ASP A 76 -0.908 -14.026 19.025 1.00 0.00 C ATOM 1269 OD1 ASP A 76 -0.068 -14.273 19.911 1.00 0.00 O ATOM 1270 OD2 ASP A 76 -1.579 -14.940 18.503 1.00 0.00 O ATOM 0 H ASP A 76 -3.455 -12.381 18.044 1.00 0.00 H new ATOM 0 HA ASP A 76 -1.515 -11.507 20.092 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -1.295 -12.784 17.344 1.00 0.00 H new ATOM 0 HB3 ASP A 76 0.095 -12.300 18.295 1.00 0.00 H new ATOM 1275 N ILE A 77 -1.224 -9.143 19.186 1.00 0.00 N ATOM 1276 CA ILE A 77 -1.158 -7.730 18.707 1.00 0.00 C ATOM 1277 C ILE A 77 0.302 -7.214 18.934 1.00 0.00 C ATOM 1278 O ILE A 77 0.649 -6.752 20.028 1.00 0.00 O ATOM 1279 CB ILE A 77 -2.270 -6.861 19.417 1.00 0.00 C ATOM 1280 CG1 ILE A 77 -3.736 -7.390 19.278 1.00 0.00 C ATOM 1281 CG2 ILE A 77 -2.248 -5.384 18.947 1.00 0.00 C ATOM 1282 CD1 ILE A 77 -4.711 -6.896 20.362 1.00 0.00 C ATOM 0 H ILE A 77 -1.057 -9.248 20.187 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.373 -7.653 17.641 1.00 0.00 H new ATOM 0 HB ILE A 77 -1.996 -6.942 20.469 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -4.122 -7.095 18.302 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -3.717 -8.480 19.297 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -3.030 -4.826 19.463 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.277 -4.944 19.176 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.421 -5.342 17.872 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -5.700 -7.316 20.180 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -4.356 -7.214 21.342 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -4.768 -5.808 20.332 1.00 0.00 H new ATOM 1294 N ASN A 78 1.158 -7.278 17.897 1.00 0.00 N ATOM 1295 CA ASN A 78 2.576 -6.838 17.995 1.00 0.00 C ATOM 1296 C ASN A 78 2.718 -5.332 17.588 1.00 0.00 C ATOM 1297 O ASN A 78 2.635 -4.972 16.410 1.00 0.00 O ATOM 1298 CB ASN A 78 3.420 -7.827 17.141 1.00 0.00 C ATOM 1299 CG ASN A 78 4.936 -7.632 17.215 1.00 0.00 C ATOM 1300 OD1 ASN A 78 5.647 -8.271 17.982 1.00 0.00 O ATOM 1301 ND2 ASN A 78 5.477 -6.731 16.437 1.00 0.00 N ATOM 0 H ASN A 78 0.898 -7.630 16.976 1.00 0.00 H new ATOM 0 HA ASN A 78 2.950 -6.873 19.018 1.00 0.00 H new ATOM 0 HB2 ASN A 78 3.186 -8.844 17.457 1.00 0.00 H new ATOM 0 HB3 ASN A 78 3.110 -7.737 16.100 1.00 0.00 H new ATOM 0 HD21 ASN A 78 6.483 -6.565 16.472 1.00 0.00 H new ATOM 0 HD22 ASN A 78 4.893 -6.194 15.795 1.00 0.00 H new ATOM 1308 N VAL A 79 2.987 -4.458 18.570 1.00 0.00 N ATOM 1309 CA VAL A 79 3.183 -2.993 18.334 1.00 0.00 C ATOM 1310 C VAL A 79 4.687 -2.725 17.966 1.00 0.00 C ATOM 1311 O VAL A 79 5.582 -2.905 18.797 1.00 0.00 O ATOM 1312 CB VAL A 79 2.651 -2.204 19.583 1.00 0.00 C ATOM 1313 CG1 VAL A 79 2.957 -0.691 19.546 1.00 0.00 C ATOM 1314 CG2 VAL A 79 1.121 -2.344 19.785 1.00 0.00 C ATOM 0 H VAL A 79 3.077 -4.730 19.549 1.00 0.00 H new ATOM 0 HA VAL A 79 2.606 -2.631 17.483 1.00 0.00 H new ATOM 0 HB VAL A 79 3.191 -2.668 20.409 1.00 0.00 H new ATOM 0 HG11 VAL A 79 2.558 -0.217 20.443 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.036 -0.539 19.505 1.00 0.00 H new ATOM 0 HG13 VAL A 79 2.494 -0.248 18.664 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.817 -1.776 20.664 1.00 0.00 H new ATOM 0 HG22 VAL A 79 0.601 -1.960 18.907 1.00 0.00 H new ATOM 0 HG23 VAL A 79 0.867 -3.395 19.926 1.00 0.00 H new ATOM 1324 N ARG A 80 4.955 -2.298 16.717 1.00 0.00 N ATOM 1325 CA ARG A 80 6.341 -2.119 16.188 1.00 0.00 C ATOM 1326 C ARG A 80 6.553 -0.651 15.671 1.00 0.00 C ATOM 1327 O ARG A 80 6.551 -0.391 14.466 1.00 0.00 O ATOM 1328 CB ARG A 80 6.538 -3.237 15.115 1.00 0.00 C ATOM 1329 CG ARG A 80 8.000 -3.482 14.672 1.00 0.00 C ATOM 1330 CD ARG A 80 8.201 -4.499 13.519 1.00 0.00 C ATOM 1331 NE ARG A 80 7.679 -5.888 13.740 1.00 0.00 N ATOM 1332 CZ ARG A 80 8.329 -6.868 14.370 1.00 0.00 C ATOM 1333 NH1 ARG A 80 9.438 -6.683 15.038 1.00 0.00 N ATOM 1334 NH2 ARG A 80 7.834 -8.071 14.333 1.00 0.00 N ATOM 0 H ARG A 80 4.227 -2.066 16.041 1.00 0.00 H new ATOM 0 HA ARG A 80 7.110 -2.233 16.952 1.00 0.00 H new ATOM 0 HB2 ARG A 80 6.134 -4.170 15.509 1.00 0.00 H new ATOM 0 HB3 ARG A 80 5.948 -2.981 14.235 1.00 0.00 H new ATOM 0 HG2 ARG A 80 8.431 -2.528 14.367 1.00 0.00 H new ATOM 0 HG3 ARG A 80 8.567 -3.827 15.536 1.00 0.00 H new ATOM 0 HD2 ARG A 80 7.725 -4.096 12.625 1.00 0.00 H new ATOM 0 HD3 ARG A 80 9.268 -4.567 13.309 1.00 0.00 H new ATOM 0 HE ARG A 80 6.749 -6.101 13.378 1.00 0.00 H new ATOM 0 HH11 ARG A 80 9.849 -5.751 15.096 1.00 0.00 H new ATOM 0 HH12 ARG A 80 9.892 -7.470 15.501 1.00 0.00 H new ATOM 0 HH21 ARG A 80 6.965 -8.250 13.829 1.00 0.00 H new ATOM 0 HH22 ARG A 80 8.315 -8.835 14.808 1.00 0.00 H new ATOM 1348 N VAL A 81 6.733 0.326 16.582 1.00 0.00 N ATOM 1349 CA VAL A 81 6.698 1.784 16.228 1.00 0.00 C ATOM 1350 C VAL A 81 8.144 2.323 15.948 1.00 0.00 C ATOM 1351 O VAL A 81 9.024 2.223 16.808 1.00 0.00 O ATOM 1352 CB VAL A 81 5.955 2.617 17.335 1.00 0.00 C ATOM 1353 CG1 VAL A 81 5.856 4.131 17.014 1.00 0.00 C ATOM 1354 CG2 VAL A 81 4.513 2.137 17.628 1.00 0.00 C ATOM 0 H VAL A 81 6.905 0.146 17.571 1.00 0.00 H new ATOM 0 HA VAL A 81 6.127 1.902 15.307 1.00 0.00 H new ATOM 0 HB VAL A 81 6.587 2.452 18.208 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.331 4.641 17.822 1.00 0.00 H new ATOM 0 HG12 VAL A 81 6.858 4.548 16.912 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.309 4.270 16.082 1.00 0.00 H new ATOM 0 HG21 VAL A 81 4.071 2.764 18.403 1.00 0.00 H new ATOM 0 HG22 VAL A 81 3.915 2.207 16.720 1.00 0.00 H new ATOM 0 HG23 VAL A 81 4.536 1.102 17.968 1.00 0.00 H new ATOM 1364 N ASN A 82 8.361 2.957 14.778 1.00 0.00 N ATOM 1365 CA ASN A 82 9.619 3.708 14.490 1.00 0.00 C ATOM 1366 C ASN A 82 9.349 5.251 14.537 1.00 0.00 C ATOM 1367 O ASN A 82 9.081 5.889 13.514 1.00 0.00 O ATOM 1368 CB ASN A 82 10.201 3.170 13.152 1.00 0.00 C ATOM 1369 CG ASN A 82 11.620 3.658 12.842 1.00 0.00 C ATOM 1370 OD1 ASN A 82 12.565 3.382 13.572 1.00 0.00 O ATOM 1371 ND2 ASN A 82 11.835 4.385 11.772 1.00 0.00 N ATOM 0 H ASN A 82 7.687 2.969 14.012 1.00 0.00 H new ATOM 0 HA ASN A 82 10.383 3.546 15.250 1.00 0.00 H new ATOM 0 HB2 ASN A 82 10.202 2.080 13.182 1.00 0.00 H new ATOM 0 HB3 ASN A 82 9.541 3.466 12.337 1.00 0.00 H new ATOM 0 HD21 ASN A 82 12.777 4.712 11.558 1.00 0.00 H new ATOM 0 HD22 ASN A 82 11.060 4.624 11.154 1.00 0.00 H new ATOM 1378 N GLY A 83 9.402 5.850 15.744 1.00 0.00 N ATOM 1379 CA GLY A 83 9.142 7.307 15.936 1.00 0.00 C ATOM 1380 C GLY A 83 7.669 7.734 15.764 1.00 0.00 C ATOM 1381 O GLY A 83 6.849 7.510 16.657 1.00 0.00 O ATOM 0 H GLY A 83 9.622 5.353 16.607 1.00 0.00 H new ATOM 0 HA2 GLY A 83 9.473 7.591 16.935 1.00 0.00 H new ATOM 0 HA3 GLY A 83 9.752 7.866 15.227 1.00 0.00 H new ATOM 1385 N THR A 84 7.349 8.319 14.601 1.00 0.00 N ATOM 1386 CA THR A 84 5.929 8.523 14.161 1.00 0.00 C ATOM 1387 C THR A 84 5.376 7.431 13.167 1.00 0.00 C ATOM 1388 O THR A 84 4.171 7.435 12.890 1.00 0.00 O ATOM 1389 CB THR A 84 5.668 9.967 13.624 1.00 0.00 C ATOM 1390 OG1 THR A 84 6.238 10.173 12.335 1.00 0.00 O ATOM 1391 CG2 THR A 84 6.112 11.130 14.525 1.00 0.00 C ATOM 0 H THR A 84 8.042 8.665 13.937 1.00 0.00 H new ATOM 0 HA THR A 84 5.352 8.394 15.077 1.00 0.00 H new ATOM 0 HB THR A 84 4.579 9.996 13.592 1.00 0.00 H new ATOM 0 HG1 THR A 84 5.536 10.442 11.706 1.00 0.00 H new ATOM 0 HG21 THR A 84 5.876 12.077 14.040 1.00 0.00 H new ATOM 0 HG22 THR A 84 5.589 11.071 15.480 1.00 0.00 H new ATOM 0 HG23 THR A 84 7.187 11.068 14.696 1.00 0.00 H new ATOM 1399 N GLU A 85 6.196 6.482 12.659 1.00 0.00 N ATOM 1400 CA GLU A 85 5.726 5.321 11.857 1.00 0.00 C ATOM 1401 C GLU A 85 5.106 4.236 12.792 1.00 0.00 C ATOM 1402 O GLU A 85 5.808 3.408 13.386 1.00 0.00 O ATOM 1403 CB GLU A 85 6.896 4.728 11.028 1.00 0.00 C ATOM 1404 CG GLU A 85 7.566 5.635 9.966 1.00 0.00 C ATOM 1405 CD GLU A 85 8.779 4.981 9.324 1.00 0.00 C ATOM 1406 OE1 GLU A 85 9.855 4.966 9.959 1.00 0.00 O ATOM 1407 OE2 GLU A 85 8.660 4.466 8.194 1.00 0.00 O ATOM 0 H GLU A 85 7.207 6.497 12.793 1.00 0.00 H new ATOM 0 HA GLU A 85 4.955 5.661 11.165 1.00 0.00 H new ATOM 0 HB2 GLU A 85 7.668 4.403 11.725 1.00 0.00 H new ATOM 0 HB3 GLU A 85 6.528 3.836 10.521 1.00 0.00 H new ATOM 0 HG2 GLU A 85 6.839 5.882 9.193 1.00 0.00 H new ATOM 0 HG3 GLU A 85 7.867 6.573 10.432 1.00 0.00 H new ATOM 1414 N VAL A 86 3.774 4.265 12.940 1.00 0.00 N ATOM 1415 CA VAL A 86 3.043 3.371 13.879 1.00 0.00 C ATOM 1416 C VAL A 86 2.632 2.086 13.105 1.00 0.00 C ATOM 1417 O VAL A 86 1.662 2.088 12.337 1.00 0.00 O ATOM 1418 CB VAL A 86 1.854 4.132 14.558 1.00 0.00 C ATOM 1419 CG1 VAL A 86 0.901 3.238 15.386 1.00 0.00 C ATOM 1420 CG2 VAL A 86 2.322 5.266 15.493 1.00 0.00 C ATOM 0 H VAL A 86 3.167 4.900 12.421 1.00 0.00 H new ATOM 0 HA VAL A 86 3.678 3.060 14.709 1.00 0.00 H new ATOM 0 HB VAL A 86 1.313 4.530 13.700 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.110 3.851 15.818 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.460 2.479 14.739 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.461 2.752 16.185 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.454 5.756 15.934 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.945 4.851 16.285 1.00 0.00 H new ATOM 0 HG23 VAL A 86 2.898 5.994 14.922 1.00 0.00 H new ATOM 1430 N LYS A 87 3.360 0.982 13.345 1.00 0.00 N ATOM 1431 CA LYS A 87 2.955 -0.353 12.852 1.00 0.00 C ATOM 1432 C LYS A 87 2.241 -1.178 13.964 1.00 0.00 C ATOM 1433 O LYS A 87 2.844 -1.486 14.998 1.00 0.00 O ATOM 1434 CB LYS A 87 4.186 -1.085 12.268 1.00 0.00 C ATOM 1435 CG LYS A 87 3.815 -2.379 11.517 1.00 0.00 C ATOM 1436 CD LYS A 87 5.039 -3.123 10.958 1.00 0.00 C ATOM 1437 CE LYS A 87 4.582 -4.298 10.086 1.00 0.00 C ATOM 1438 NZ LYS A 87 5.657 -5.305 9.926 1.00 0.00 N ATOM 0 H LYS A 87 4.231 0.984 13.876 1.00 0.00 H new ATOM 0 HA LYS A 87 2.224 -0.233 12.052 1.00 0.00 H new ATOM 0 HB2 LYS A 87 4.712 -0.415 11.588 1.00 0.00 H new ATOM 0 HB3 LYS A 87 4.876 -1.325 13.076 1.00 0.00 H new ATOM 0 HG2 LYS A 87 3.272 -3.041 12.192 1.00 0.00 H new ATOM 0 HG3 LYS A 87 3.139 -2.135 10.697 1.00 0.00 H new ATOM 0 HD2 LYS A 87 5.653 -2.440 10.371 1.00 0.00 H new ATOM 0 HD3 LYS A 87 5.660 -3.486 11.777 1.00 0.00 H new ATOM 0 HE2 LYS A 87 3.707 -4.767 10.535 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.279 -3.929 9.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 5.345 -6.043 9.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 6.512 -4.844 9.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 5.870 -5.735 10.849 1.00 0.00 H new ATOM 1452 N ILE A 88 0.995 -1.615 13.705 1.00 0.00 N ATOM 1453 CA ILE A 88 0.346 -2.688 14.516 1.00 0.00 C ATOM 1454 C ILE A 88 0.285 -3.976 13.623 1.00 0.00 C ATOM 1455 O ILE A 88 -0.440 -4.055 12.623 1.00 0.00 O ATOM 1456 CB ILE A 88 -1.019 -2.257 15.151 1.00 0.00 C ATOM 1457 CG1 ILE A 88 -0.935 -0.902 15.921 1.00 0.00 C ATOM 1458 CG2 ILE A 88 -1.527 -3.374 16.101 1.00 0.00 C ATOM 1459 CD1 ILE A 88 -2.246 -0.412 16.548 1.00 0.00 C ATOM 0 H ILE A 88 0.413 -1.252 12.950 1.00 0.00 H new ATOM 0 HA ILE A 88 0.943 -2.904 15.402 1.00 0.00 H new ATOM 0 HB ILE A 88 -1.720 -2.108 14.330 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.190 -0.999 16.711 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -0.574 -0.137 15.234 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.477 -3.072 16.542 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.665 -4.296 15.537 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.796 -3.539 16.892 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -2.074 0.536 17.057 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -2.994 -0.274 15.767 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -2.604 -1.150 17.266 1.00 0.00 H new ATOM 1471 N GLU A 89 1.090 -4.972 14.014 1.00 0.00 N ATOM 1472 CA GLU A 89 1.284 -6.245 13.278 1.00 0.00 C ATOM 1473 C GLU A 89 0.463 -7.371 13.981 1.00 0.00 C ATOM 1474 O GLU A 89 0.913 -7.966 14.966 1.00 0.00 O ATOM 1475 CB GLU A 89 2.831 -6.427 13.267 1.00 0.00 C ATOM 1476 CG GLU A 89 3.421 -7.649 12.523 1.00 0.00 C ATOM 1477 CD GLU A 89 4.940 -7.708 12.636 1.00 0.00 C ATOM 1478 OE1 GLU A 89 5.642 -6.830 12.081 1.00 0.00 O ATOM 1479 OE2 GLU A 89 5.459 -8.604 13.325 1.00 0.00 O ATOM 0 H GLU A 89 1.641 -4.922 14.871 1.00 0.00 H new ATOM 0 HA GLU A 89 0.917 -6.267 12.252 1.00 0.00 H new ATOM 0 HB2 GLU A 89 3.268 -5.529 12.830 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.168 -6.474 14.303 1.00 0.00 H new ATOM 0 HG2 GLU A 89 2.991 -8.564 12.931 1.00 0.00 H new ATOM 0 HG3 GLU A 89 3.137 -7.605 11.472 1.00 0.00 H new ATOM 1486 N VAL A 90 -0.767 -7.643 13.501 1.00 0.00 N ATOM 1487 CA VAL A 90 -1.655 -8.685 14.104 1.00 0.00 C ATOM 1488 C VAL A 90 -1.575 -10.053 13.359 1.00 0.00 C ATOM 1489 O VAL A 90 -1.550 -10.101 12.125 1.00 0.00 O ATOM 1490 CB VAL A 90 -3.143 -8.232 14.284 1.00 0.00 C ATOM 1491 CG1 VAL A 90 -3.335 -7.286 15.479 1.00 0.00 C ATOM 1492 CG2 VAL A 90 -3.861 -7.653 13.051 1.00 0.00 C ATOM 0 H VAL A 90 -1.177 -7.163 12.700 1.00 0.00 H new ATOM 0 HA VAL A 90 -1.255 -8.828 15.108 1.00 0.00 H new ATOM 0 HB VAL A 90 -3.632 -9.188 14.472 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -4.385 -7.005 15.555 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -3.027 -7.790 16.395 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -2.729 -6.391 15.336 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -4.882 -7.382 13.319 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.329 -6.767 12.703 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -3.880 -8.400 12.257 1.00 0.00 H new ATOM 1502 N ARG A 91 -1.606 -11.164 14.124 1.00 0.00 N ATOM 1503 CA ARG A 91 -1.733 -12.539 13.549 1.00 0.00 C ATOM 1504 C ARG A 91 -2.847 -13.384 14.251 1.00 0.00 C ATOM 1505 O ARG A 91 -3.013 -13.334 15.474 1.00 0.00 O ATOM 1506 CB ARG A 91 -0.341 -13.243 13.479 1.00 0.00 C ATOM 1507 CG ARG A 91 0.315 -13.762 14.783 1.00 0.00 C ATOM 1508 CD ARG A 91 -0.043 -15.228 15.134 1.00 0.00 C ATOM 1509 NE ARG A 91 0.241 -15.541 16.561 1.00 0.00 N ATOM 1510 CZ ARG A 91 1.389 -15.985 17.068 1.00 0.00 C ATOM 1511 NH1 ARG A 91 2.391 -16.394 16.333 1.00 0.00 N ATOM 1512 NH2 ARG A 91 1.521 -16.009 18.365 1.00 0.00 N ATOM 0 H ARG A 91 -1.545 -11.146 15.142 1.00 0.00 H new ATOM 0 HA ARG A 91 -2.078 -12.445 12.519 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -0.437 -14.091 12.801 1.00 0.00 H new ATOM 0 HB3 ARG A 91 0.356 -12.544 13.018 1.00 0.00 H new ATOM 0 HG2 ARG A 91 1.398 -13.676 14.691 1.00 0.00 H new ATOM 0 HG3 ARG A 91 0.013 -13.118 15.609 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -1.099 -15.404 14.927 1.00 0.00 H new ATOM 0 HD3 ARG A 91 0.524 -15.904 14.494 1.00 0.00 H new ATOM 0 HE ARG A 91 -0.525 -15.400 17.220 1.00 0.00 H new ATOM 0 HH11 ARG A 91 2.315 -16.383 15.316 1.00 0.00 H new ATOM 0 HH12 ARG A 91 3.248 -16.724 16.777 1.00 0.00 H new ATOM 0 HH21 ARG A 91 0.756 -15.693 18.961 1.00 0.00 H new ATOM 0 HH22 ARG A 91 2.389 -16.344 18.783 1.00 0.00 H new ATOM 1526 N VAL A 92 -3.565 -14.222 13.478 1.00 0.00 N ATOM 1527 CA VAL A 92 -4.544 -15.208 14.029 1.00 0.00 C ATOM 1528 C VAL A 92 -3.839 -16.589 14.144 1.00 0.00 C ATOM 1529 O VAL A 92 -3.397 -17.213 13.171 1.00 0.00 O ATOM 1530 CB VAL A 92 -5.874 -15.241 13.195 1.00 0.00 C ATOM 1531 CG1 VAL A 92 -6.933 -16.225 13.736 1.00 0.00 C ATOM 1532 CG2 VAL A 92 -6.599 -13.882 13.098 1.00 0.00 C ATOM 0 H VAL A 92 -3.491 -14.243 12.461 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.860 -14.906 15.028 1.00 0.00 H new ATOM 0 HB VAL A 92 -5.506 -15.556 12.219 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -7.821 -16.188 13.105 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -6.526 -17.236 13.731 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -7.201 -15.947 14.755 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -7.507 -13.995 12.505 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -6.860 -13.536 14.098 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -5.943 -13.153 12.622 1.00 0.00 H new