USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 608 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 64 ASN : amide:sc= -0.368 K(o=-0.37,f=-4.7!) USER MOD Set 1.2: A 66 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 6 TYR OH : rot -111:sc= -0.87! USER MOD Set 2.2: A 14 THR OG1 : rot 42:sc= 1.93 USER MOD Set 2.3: A 38 TYR OH : rot -107:sc= 2.61 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -129:sc= -0.639 (180deg=-3.66!) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.466 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 160:sc= -1.11 USER MOD Single : A 15 LYS NZ :NH3+ -124:sc= -0.397 (180deg=-2.26!) USER MOD Single : A 16 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.026) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 150:sc= 0.0891 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 158:sc= -0.134 (180deg=-0.569) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot -80:sc= -0.575 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -0.0572 X(o=-0.057,f=-0.26) USER MOD Single : A 46 MET CE :methyl -148:sc= -0.323 (180deg=-1.57) USER MOD Single : A 47 TYR OH : rot -109:sc= 0.173 USER MOD Single : A 50 ASN : amide:sc= -0.217 X(o=-0.22,f=-0.22) USER MOD Single : A 51 ASN : amide:sc= -0.423 X(o=-0.42,f=-0.65) USER MOD Single : A 54 LYS NZ :NH3+ 163:sc= 0.219 (180deg=0.13) USER MOD Single : A 55 ASN : amide:sc= -1.19 X(o=-1.2,f=-1.3) USER MOD Single : A 61 ASN : amide:sc= -1.92 K(o=-1.9,f=-3.5) USER MOD Single : A 63 ASN : amide:sc= -0.728 X(o=-0.73,f=-0.88) USER MOD Single : A 67 SER OG : rot 90:sc= 0.462 USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 63:sc= 1.25 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.034 12.054 7.178 1.00 0.00 N ATOM 2 CA MET A 1 -2.079 11.011 7.532 1.00 52.33 C ATOM 3 C MET A 1 -2.583 9.640 7.095 1.00 70.42 C ATOM 4 O MET A 1 -3.784 9.372 7.122 1.00 23.24 O ATOM 5 CB MET A 1 -1.823 11.016 9.041 1.00 64.44 C ATOM 6 CG MET A 1 -1.028 9.813 9.526 1.00 33.42 C ATOM 7 SD MET A 1 -0.401 10.026 11.203 1.00 2.13 S ATOM 8 CE MET A 1 -1.822 9.510 12.164 1.00 24.22 C ATOM 0 H1 MET A 1 -2.543 12.815 6.667 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.777 11.653 6.571 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.464 12.439 8.043 1.00 0.00 H new ATOM 0 HA MET A 1 -1.144 11.217 7.011 1.00 52.33 H new ATOM 0 HB2 MET A 1 -1.287 11.927 9.307 1.00 64.44 H new ATOM 0 HB3 MET A 1 -2.779 11.044 9.564 1.00 64.44 H new ATOM 0 HG2 MET A 1 -1.660 8.926 9.488 1.00 33.42 H new ATOM 0 HG3 MET A 1 -0.192 9.638 8.849 1.00 33.42 H new ATOM 0 HE1 MET A 1 -1.590 9.586 13.226 1.00 24.22 H new ATOM 0 HE2 MET A 1 -2.671 10.152 11.931 1.00 24.22 H new ATOM 0 HE3 MET A 1 -2.071 8.477 11.920 1.00 24.22 H new ATOM 16 N VAL A 2 -1.658 8.775 6.691 1.00 42.25 N ATOM 17 CA VAL A 2 -2.010 7.431 6.249 1.00 61.04 C ATOM 18 C VAL A 2 -1.231 6.375 7.026 1.00 73.33 C ATOM 19 O VAL A 2 -0.019 6.492 7.211 1.00 44.23 O ATOM 20 CB VAL A 2 -1.739 7.247 4.744 1.00 21.12 C ATOM 21 CG1 VAL A 2 -2.513 8.275 3.932 1.00 52.30 C ATOM 22 CG2 VAL A 2 -0.248 7.339 4.454 1.00 13.40 C ATOM 0 H VAL A 2 -0.659 8.981 6.661 1.00 42.25 H new ATOM 0 HA VAL A 2 -3.076 7.305 6.438 1.00 61.04 H new ATOM 0 HB VAL A 2 -2.081 6.255 4.451 1.00 21.12 H new ATOM 0 HG11 VAL A 2 -2.309 8.129 2.871 1.00 52.30 H new ATOM 0 HG12 VAL A 2 -3.581 8.155 4.116 1.00 52.30 H new ATOM 0 HG13 VAL A 2 -2.205 9.278 4.226 1.00 52.30 H new ATOM 0 HG21 VAL A 2 -0.076 7.207 3.386 1.00 13.40 H new ATOM 0 HG22 VAL A 2 0.123 8.316 4.763 1.00 13.40 H new ATOM 0 HG23 VAL A 2 0.279 6.560 5.005 1.00 13.40 H new ATOM 32 N THR A 3 -1.935 5.343 7.480 1.00 32.02 N ATOM 33 CA THR A 3 -1.312 4.266 8.238 1.00 11.20 C ATOM 34 C THR A 3 -1.432 2.936 7.503 1.00 41.13 C ATOM 35 O THR A 3 -2.506 2.575 7.022 1.00 65.52 O ATOM 36 CB THR A 3 -1.941 4.125 9.637 1.00 34.25 C ATOM 37 OG1 THR A 3 -2.282 5.418 10.152 1.00 43.53 O ATOM 38 CG2 THR A 3 -0.986 3.428 10.593 1.00 61.10 C ATOM 0 H THR A 3 -2.938 5.231 7.335 1.00 32.02 H new ATOM 0 HA THR A 3 -0.259 4.525 8.347 1.00 11.20 H new ATOM 0 HB THR A 3 -2.843 3.520 9.547 1.00 34.25 H new ATOM 0 HG1 THR A 3 -2.683 5.321 11.041 1.00 43.53 H new ATOM 0 HG21 THR A 3 -1.453 3.340 11.574 1.00 61.10 H new ATOM 0 HG22 THR A 3 -0.751 2.434 10.213 1.00 61.10 H new ATOM 0 HG23 THR A 3 -0.068 4.010 10.679 1.00 61.10 H new ATOM 46 N VAL A 4 -0.322 2.208 7.422 1.00 31.33 N ATOM 47 CA VAL A 4 -0.303 0.915 6.747 1.00 35.21 C ATOM 48 C VAL A 4 0.210 -0.181 7.674 1.00 14.21 C ATOM 49 O VAL A 4 1.119 0.043 8.473 1.00 75.32 O ATOM 50 CB VAL A 4 0.575 0.955 5.482 1.00 71.33 C ATOM 51 CG1 VAL A 4 -0.037 1.875 4.436 1.00 60.41 C ATOM 52 CG2 VAL A 4 1.989 1.395 5.829 1.00 62.11 C ATOM 0 H VAL A 4 0.575 2.492 7.815 1.00 31.33 H new ATOM 0 HA VAL A 4 -1.331 0.693 6.460 1.00 35.21 H new ATOM 0 HB VAL A 4 0.624 -0.050 5.063 1.00 71.33 H new ATOM 0 HG11 VAL A 4 0.597 1.891 3.550 1.00 60.41 H new ATOM 0 HG12 VAL A 4 -1.028 1.511 4.167 1.00 60.41 H new ATOM 0 HG13 VAL A 4 -0.119 2.883 4.841 1.00 60.41 H new ATOM 0 HG21 VAL A 4 2.596 1.418 4.924 1.00 62.11 H new ATOM 0 HG22 VAL A 4 1.962 2.390 6.273 1.00 62.11 H new ATOM 0 HG23 VAL A 4 2.424 0.693 6.540 1.00 62.11 H new ATOM 62 N ARG A 5 -0.379 -1.367 7.562 1.00 23.52 N ATOM 63 CA ARG A 5 0.018 -2.499 8.390 1.00 2.53 C ATOM 64 C ARG A 5 0.681 -3.584 7.547 1.00 23.31 C ATOM 65 O ARG A 5 0.470 -3.659 6.337 1.00 22.43 O ATOM 66 CB ARG A 5 -1.197 -3.075 9.119 1.00 2.01 C ATOM 67 CG ARG A 5 -2.089 -2.018 9.748 1.00 72.11 C ATOM 68 CD ARG A 5 -3.118 -2.638 10.679 1.00 5.44 C ATOM 69 NE ARG A 5 -3.486 -1.738 11.768 1.00 75.41 N ATOM 70 CZ ARG A 5 -4.193 -2.114 12.828 1.00 62.41 C ATOM 71 NH1 ARG A 5 -4.606 -3.370 12.940 1.00 73.52 N ATOM 72 NH2 ARG A 5 -4.487 -1.236 13.778 1.00 70.31 N ATOM 0 H ARG A 5 -1.133 -1.569 6.906 1.00 23.52 H new ATOM 0 HA ARG A 5 0.740 -2.144 9.125 1.00 2.53 H new ATOM 0 HB2 ARG A 5 -1.786 -3.664 8.416 1.00 2.01 H new ATOM 0 HB3 ARG A 5 -0.853 -3.757 9.896 1.00 2.01 H new ATOM 0 HG2 ARG A 5 -1.477 -1.307 10.303 1.00 72.11 H new ATOM 0 HG3 ARG A 5 -2.598 -1.457 8.964 1.00 72.11 H new ATOM 0 HD2 ARG A 5 -4.010 -2.901 10.110 1.00 5.44 H new ATOM 0 HD3 ARG A 5 -2.720 -3.564 11.094 1.00 5.44 H new ATOM 0 HE ARG A 5 -3.183 -0.766 11.712 1.00 75.41 H new ATOM 0 HH11 ARG A 5 -4.381 -4.048 12.212 1.00 73.52 H new ATOM 0 HH12 ARG A 5 -5.149 -3.658 13.754 1.00 73.52 H new ATOM 0 HH21 ARG A 5 -4.170 -0.270 13.695 1.00 70.31 H new ATOM 0 HH22 ARG A 5 -5.030 -1.527 14.591 1.00 70.31 H new ATOM 83 N TYR A 6 1.483 -4.421 8.194 1.00 41.34 N ATOM 84 CA TYR A 6 2.179 -5.500 7.504 1.00 2.01 C ATOM 85 C TYR A 6 2.198 -6.768 8.353 1.00 54.21 C ATOM 86 O TYR A 6 2.341 -6.709 9.574 1.00 50.24 O ATOM 87 CB TYR A 6 3.611 -5.079 7.167 1.00 13.32 C ATOM 88 CG TYR A 6 3.694 -3.770 6.414 1.00 62.23 C ATOM 89 CD1 TYR A 6 3.111 -3.628 5.161 1.00 73.20 C ATOM 90 CD2 TYR A 6 4.356 -2.675 6.957 1.00 61.50 C ATOM 91 CE1 TYR A 6 3.186 -2.435 4.470 1.00 70.10 C ATOM 92 CE2 TYR A 6 4.434 -1.477 6.273 1.00 62.02 C ATOM 93 CZ TYR A 6 3.849 -1.362 5.030 1.00 32.44 C ATOM 94 OH TYR A 6 3.924 -0.171 4.345 1.00 63.53 O ATOM 0 H TYR A 6 1.668 -4.373 9.196 1.00 41.34 H new ATOM 0 HA TYR A 6 1.641 -5.711 6.580 1.00 2.01 H new ATOM 0 HB2 TYR A 6 4.183 -4.994 8.091 1.00 13.32 H new ATOM 0 HB3 TYR A 6 4.081 -5.862 6.572 1.00 13.32 H new ATOM 0 HD1 TYR A 6 2.590 -4.465 4.720 1.00 73.20 H new ATOM 0 HD2 TYR A 6 4.817 -2.762 7.930 1.00 61.50 H new ATOM 0 HE1 TYR A 6 2.728 -2.342 3.496 1.00 70.10 H new ATOM 0 HE2 TYR A 6 4.951 -0.635 6.710 1.00 62.02 H new ATOM 0 HH TYR A 6 4.850 -0.013 4.064 1.00 63.53 H new ATOM 103 N TYR A 7 2.051 -7.913 7.697 1.00 63.04 N ATOM 104 CA TYR A 7 2.050 -9.197 8.390 1.00 13.23 C ATOM 105 C TYR A 7 3.363 -9.940 8.165 1.00 5.13 C ATOM 106 O TYR A 7 4.280 -9.423 7.528 1.00 25.15 O ATOM 107 CB TYR A 7 0.876 -10.055 7.915 1.00 71.41 C ATOM 108 CG TYR A 7 -0.274 -10.106 8.895 1.00 44.52 C ATOM 109 CD1 TYR A 7 -1.052 -8.983 9.142 1.00 14.41 C ATOM 110 CD2 TYR A 7 -0.582 -11.279 9.574 1.00 74.14 C ATOM 111 CE1 TYR A 7 -2.103 -9.025 10.039 1.00 12.12 C ATOM 112 CE2 TYR A 7 -1.631 -11.331 10.471 1.00 32.43 C ATOM 113 CZ TYR A 7 -2.389 -10.201 10.700 1.00 74.20 C ATOM 114 OH TYR A 7 -3.436 -10.247 11.592 1.00 73.20 O ATOM 0 H TYR A 7 1.931 -7.979 6.686 1.00 63.04 H new ATOM 0 HA TYR A 7 1.942 -9.005 9.458 1.00 13.23 H new ATOM 0 HB2 TYR A 7 0.514 -9.665 6.963 1.00 71.41 H new ATOM 0 HB3 TYR A 7 1.230 -11.069 7.730 1.00 71.41 H new ATOM 0 HD1 TYR A 7 -0.832 -8.061 8.625 1.00 14.41 H new ATOM 0 HD2 TYR A 7 0.009 -12.165 9.397 1.00 74.14 H new ATOM 0 HE1 TYR A 7 -2.697 -8.142 10.221 1.00 12.12 H new ATOM 0 HE2 TYR A 7 -1.857 -12.251 10.990 1.00 32.43 H new ATOM 0 HH TYR A 7 -3.504 -11.148 11.971 1.00 73.20 H new ATOM 123 N ALA A 8 3.443 -11.158 8.691 1.00 34.30 N ATOM 124 CA ALA A 8 4.641 -11.974 8.546 1.00 61.13 C ATOM 125 C ALA A 8 5.036 -12.115 7.079 1.00 35.03 C ATOM 126 O ALA A 8 6.206 -12.326 6.757 1.00 64.23 O ATOM 127 CB ALA A 8 4.425 -13.346 9.169 1.00 33.33 C ATOM 0 H ALA A 8 2.692 -11.601 9.221 1.00 34.30 H new ATOM 0 HA ALA A 8 5.456 -11.473 9.069 1.00 61.13 H new ATOM 0 HB1 ALA A 8 5.329 -13.945 9.053 1.00 33.33 H new ATOM 0 HB2 ALA A 8 4.198 -13.233 10.229 1.00 33.33 H new ATOM 0 HB3 ALA A 8 3.593 -13.845 8.672 1.00 33.33 H new ATOM 133 N THR A 9 4.053 -11.995 6.193 1.00 73.22 N ATOM 134 CA THR A 9 4.297 -12.109 4.760 1.00 52.55 C ATOM 135 C THR A 9 5.058 -10.897 4.234 1.00 23.31 C ATOM 136 O THR A 9 5.923 -11.024 3.366 1.00 13.24 O ATOM 137 CB THR A 9 2.980 -12.256 3.976 1.00 1.13 C ATOM 138 OG1 THR A 9 1.981 -11.393 4.531 1.00 11.12 O ATOM 139 CG2 THR A 9 2.489 -13.694 4.006 1.00 44.22 C ATOM 0 H THR A 9 3.080 -11.819 6.442 1.00 73.22 H new ATOM 0 HA THR A 9 4.900 -13.005 4.612 1.00 52.55 H new ATOM 0 HB THR A 9 3.167 -11.975 2.939 1.00 1.13 H new ATOM 0 HG1 THR A 9 1.275 -11.242 3.869 1.00 11.12 H new ATOM 0 HG21 THR A 9 1.557 -13.772 3.445 1.00 44.22 H new ATOM 0 HG22 THR A 9 3.239 -14.344 3.556 1.00 44.22 H new ATOM 0 HG23 THR A 9 2.318 -13.999 5.038 1.00 44.22 H new ATOM 147 N LEU A 10 4.731 -9.725 4.763 1.00 35.54 N ATOM 148 CA LEU A 10 5.384 -8.488 4.346 1.00 11.14 C ATOM 149 C LEU A 10 6.450 -8.069 5.353 1.00 70.32 C ATOM 150 O LEU A 10 7.041 -6.996 5.236 1.00 53.20 O ATOM 151 CB LEU A 10 4.351 -7.371 4.185 1.00 41.42 C ATOM 152 CG LEU A 10 3.388 -7.512 3.006 1.00 73.32 C ATOM 153 CD1 LEU A 10 4.155 -7.776 1.720 1.00 33.54 C ATOM 154 CD2 LEU A 10 2.383 -8.624 3.268 1.00 75.00 C ATOM 0 H LEU A 10 4.018 -9.604 5.482 1.00 35.54 H new ATOM 0 HA LEU A 10 5.868 -8.668 3.386 1.00 11.14 H new ATOM 0 HB2 LEU A 10 3.765 -7.311 5.102 1.00 41.42 H new ATOM 0 HB3 LEU A 10 4.882 -6.424 4.083 1.00 41.42 H new ATOM 0 HG LEU A 10 2.842 -6.576 2.894 1.00 73.32 H new ATOM 0 HD11 LEU A 10 3.453 -7.874 0.891 1.00 33.54 H new ATOM 0 HD12 LEU A 10 4.834 -6.946 1.525 1.00 33.54 H new ATOM 0 HD13 LEU A 10 4.728 -8.698 1.821 1.00 33.54 H new ATOM 0 HD21 LEU A 10 1.706 -8.710 2.418 1.00 75.00 H new ATOM 0 HD22 LEU A 10 2.912 -9.567 3.407 1.00 75.00 H new ATOM 0 HD23 LEU A 10 1.811 -8.393 4.166 1.00 75.00 H new ATOM 165 N ARG A 11 6.692 -8.925 6.340 1.00 41.03 N ATOM 166 CA ARG A 11 7.689 -8.645 7.368 1.00 33.44 C ATOM 167 C ARG A 11 9.054 -8.376 6.742 1.00 63.40 C ATOM 168 O ARG A 11 9.638 -7.304 6.901 1.00 55.33 O ATOM 169 CB ARG A 11 7.786 -9.815 8.347 1.00 52.23 C ATOM 170 CG ARG A 11 7.154 -9.532 9.700 1.00 13.05 C ATOM 171 CD ARG A 11 7.529 -10.592 10.724 1.00 15.14 C ATOM 172 NE ARG A 11 8.617 -10.153 11.593 1.00 34.45 N ATOM 173 CZ ARG A 11 9.287 -10.967 12.400 1.00 40.43 C ATOM 174 NH1 ARG A 11 8.982 -12.256 12.449 1.00 2.34 N ATOM 175 NH2 ARG A 11 10.265 -10.492 13.162 1.00 24.31 N ATOM 0 H ARG A 11 6.212 -9.818 6.450 1.00 41.03 H new ATOM 0 HA ARG A 11 7.375 -7.753 7.910 1.00 33.44 H new ATOM 0 HB2 ARG A 11 7.304 -10.688 7.906 1.00 52.23 H new ATOM 0 HB3 ARG A 11 8.836 -10.070 8.492 1.00 52.23 H new ATOM 0 HG2 ARG A 11 7.475 -8.553 10.055 1.00 13.05 H new ATOM 0 HG3 ARG A 11 6.070 -9.494 9.595 1.00 13.05 H new ATOM 0 HD2 ARG A 11 6.656 -10.835 11.330 1.00 15.14 H new ATOM 0 HD3 ARG A 11 7.823 -11.506 10.208 1.00 15.14 H new ATOM 0 HE ARG A 11 8.877 -9.167 11.579 1.00 34.45 H new ATOM 0 HH11 ARG A 11 8.231 -12.625 11.866 1.00 2.34 H new ATOM 0 HH12 ARG A 11 9.498 -12.879 13.070 1.00 2.34 H new ATOM 0 HH21 ARG A 11 10.502 -9.501 13.128 1.00 24.31 H new ATOM 0 HH22 ARG A 11 10.779 -11.118 13.782 1.00 24.31 H new ATOM 186 N PRO A 12 9.577 -9.373 6.012 1.00 23.14 N ATOM 187 CA PRO A 12 10.879 -9.268 5.347 1.00 40.32 C ATOM 188 C PRO A 12 10.856 -8.292 4.176 1.00 55.24 C ATOM 189 O PRO A 12 11.896 -7.978 3.597 1.00 54.14 O ATOM 190 CB PRO A 12 11.140 -10.693 4.851 1.00 33.34 C ATOM 191 CG PRO A 12 9.785 -11.295 4.702 1.00 62.41 C ATOM 192 CD PRO A 12 8.937 -10.678 5.779 1.00 63.31 C ATOM 0 HA PRO A 12 11.649 -8.887 6.018 1.00 40.32 H new ATOM 0 HB2 PRO A 12 11.679 -10.690 3.903 1.00 33.34 H new ATOM 0 HB3 PRO A 12 11.747 -11.255 5.561 1.00 33.34 H new ATOM 0 HG2 PRO A 12 9.373 -11.088 3.714 1.00 62.41 H new ATOM 0 HG3 PRO A 12 9.825 -12.379 4.810 1.00 62.41 H new ATOM 0 HD2 PRO A 12 7.901 -10.566 5.460 1.00 63.31 H new ATOM 0 HD3 PRO A 12 8.928 -11.288 6.682 1.00 63.31 H new ATOM 197 N ILE A 13 9.664 -7.815 3.833 1.00 40.53 N ATOM 198 CA ILE A 13 9.507 -6.873 2.733 1.00 32.50 C ATOM 199 C ILE A 13 9.414 -5.440 3.244 1.00 74.33 C ATOM 200 O ILE A 13 9.657 -4.486 2.503 1.00 4.44 O ATOM 201 CB ILE A 13 8.254 -7.189 1.895 1.00 61.31 C ATOM 202 CG1 ILE A 13 8.101 -8.701 1.718 1.00 1.33 C ATOM 203 CG2 ILE A 13 8.332 -6.497 0.542 1.00 3.32 C ATOM 204 CD1 ILE A 13 6.938 -9.092 0.832 1.00 53.21 C ATOM 0 H ILE A 13 8.793 -8.066 4.301 1.00 40.53 H new ATOM 0 HA ILE A 13 10.391 -6.975 2.103 1.00 32.50 H new ATOM 0 HB ILE A 13 7.378 -6.813 2.423 1.00 61.31 H new ATOM 0 HG12 ILE A 13 9.021 -9.104 1.295 1.00 1.33 H new ATOM 0 HG13 ILE A 13 7.972 -9.162 2.697 1.00 1.33 H new ATOM 0 HG21 ILE A 13 7.439 -6.730 -0.038 1.00 3.32 H new ATOM 0 HG22 ILE A 13 8.398 -5.419 0.688 1.00 3.32 H new ATOM 0 HG23 ILE A 13 9.215 -6.845 0.005 1.00 3.32 H new ATOM 0 HD11 ILE A 13 6.891 -10.178 0.752 1.00 53.21 H new ATOM 0 HD12 ILE A 13 6.010 -8.719 1.265 1.00 53.21 H new ATOM 0 HD13 ILE A 13 7.075 -8.661 -0.160 1.00 53.21 H new ATOM 215 N THR A 14 9.063 -5.294 4.518 1.00 12.13 N ATOM 216 CA THR A 14 8.939 -3.976 5.131 1.00 24.33 C ATOM 217 C THR A 14 9.868 -3.839 6.331 1.00 52.43 C ATOM 218 O THR A 14 9.792 -2.863 7.079 1.00 64.41 O ATOM 219 CB THR A 14 7.492 -3.702 5.581 1.00 73.21 C ATOM 220 OG1 THR A 14 7.338 -2.318 5.916 1.00 31.01 O ATOM 221 CG2 THR A 14 7.125 -4.562 6.781 1.00 73.11 C ATOM 0 H THR A 14 8.860 -6.072 5.146 1.00 12.13 H new ATOM 0 HA THR A 14 9.221 -3.245 4.373 1.00 24.33 H new ATOM 0 HB THR A 14 6.825 -3.954 4.756 1.00 73.21 H new ATOM 0 HG1 THR A 14 7.809 -1.767 5.256 1.00 31.01 H new ATOM 0 HG21 THR A 14 6.098 -4.350 7.080 1.00 73.11 H new ATOM 0 HG22 THR A 14 7.216 -5.615 6.515 1.00 73.11 H new ATOM 0 HG23 THR A 14 7.798 -4.338 7.609 1.00 73.11 H new ATOM 229 N LYS A 15 10.745 -4.820 6.510 1.00 20.10 N ATOM 230 CA LYS A 15 11.692 -4.809 7.620 1.00 71.30 C ATOM 231 C LYS A 15 10.962 -4.724 8.956 1.00 64.24 C ATOM 232 O LYS A 15 11.381 -4.002 9.860 1.00 33.10 O ATOM 233 CB LYS A 15 12.659 -3.630 7.479 1.00 21.13 C ATOM 234 CG LYS A 15 13.239 -3.482 6.083 1.00 44.53 C ATOM 235 CD LYS A 15 14.115 -2.246 5.972 1.00 30.01 C ATOM 236 CE LYS A 15 15.490 -2.481 6.576 1.00 71.34 C ATOM 237 NZ LYS A 15 15.494 -2.261 8.049 1.00 3.10 N ATOM 0 H LYS A 15 10.820 -5.634 5.900 1.00 20.10 H new ATOM 0 HA LYS A 15 12.257 -5.741 7.593 1.00 71.30 H new ATOM 0 HB2 LYS A 15 12.139 -2.710 7.746 1.00 21.13 H new ATOM 0 HB3 LYS A 15 13.475 -3.753 8.191 1.00 21.13 H new ATOM 0 HG2 LYS A 15 13.824 -4.367 5.835 1.00 44.53 H new ATOM 0 HG3 LYS A 15 12.429 -3.422 5.356 1.00 44.53 H new ATOM 0 HD2 LYS A 15 14.220 -1.966 4.924 1.00 30.01 H new ATOM 0 HD3 LYS A 15 13.632 -1.410 6.478 1.00 30.01 H new ATOM 0 HE2 LYS A 15 15.812 -3.500 6.360 1.00 71.34 H new ATOM 0 HE3 LYS A 15 16.212 -1.812 6.107 1.00 71.34 H new ATOM 0 HZ1 LYS A 15 16.214 -1.551 8.292 1.00 3.10 H new ATOM 0 HZ2 LYS A 15 14.558 -1.923 8.352 1.00 3.10 H new ATOM 0 HZ3 LYS A 15 15.713 -3.155 8.533 1.00 3.10 H new ATOM 247 N LYS A 16 9.870 -5.471 9.076 1.00 2.14 N ATOM 248 CA LYS A 16 9.082 -5.484 10.304 1.00 34.54 C ATOM 249 C LYS A 16 9.035 -4.096 10.934 1.00 10.32 C ATOM 250 O LYS A 16 9.185 -3.948 12.148 1.00 73.42 O ATOM 251 CB LYS A 16 9.668 -6.488 11.299 1.00 75.32 C ATOM 252 CG LYS A 16 11.049 -6.108 11.805 1.00 63.24 C ATOM 253 CD LYS A 16 12.144 -6.710 10.941 1.00 61.52 C ATOM 254 CE LYS A 16 12.700 -7.987 11.555 1.00 20.12 C ATOM 255 NZ LYS A 16 13.586 -7.703 12.718 1.00 61.51 N ATOM 0 H LYS A 16 9.510 -6.076 8.338 1.00 2.14 H new ATOM 0 HA LYS A 16 8.065 -5.784 10.051 1.00 34.54 H new ATOM 0 HB2 LYS A 16 8.992 -6.581 12.149 1.00 75.32 H new ATOM 0 HB3 LYS A 16 9.721 -7.468 10.825 1.00 75.32 H new ATOM 0 HG2 LYS A 16 11.148 -5.023 11.815 1.00 63.24 H new ATOM 0 HG3 LYS A 16 11.167 -6.449 12.834 1.00 63.24 H new ATOM 0 HD2 LYS A 16 11.749 -6.924 9.948 1.00 61.52 H new ATOM 0 HD3 LYS A 16 12.949 -5.986 10.814 1.00 61.52 H new ATOM 0 HE2 LYS A 16 11.876 -8.626 11.874 1.00 20.12 H new ATOM 0 HE3 LYS A 16 13.258 -8.540 10.800 1.00 20.12 H new ATOM 0 HZ1 LYS A 16 14.064 -8.579 13.013 1.00 61.51 H new ATOM 0 HZ2 LYS A 16 14.298 -6.995 12.447 1.00 61.51 H new ATOM 0 HZ3 LYS A 16 13.016 -7.337 13.507 1.00 61.51 H new ATOM 265 N LYS A 17 8.823 -3.080 10.104 1.00 62.41 N ATOM 266 CA LYS A 17 8.754 -1.704 10.580 1.00 1.23 C ATOM 267 C LYS A 17 7.560 -0.977 9.967 1.00 50.20 C ATOM 268 O LYS A 17 7.471 -0.829 8.749 1.00 44.21 O ATOM 269 CB LYS A 17 10.046 -0.959 10.242 1.00 73.35 C ATOM 270 CG LYS A 17 10.200 0.359 10.980 1.00 71.30 C ATOM 271 CD LYS A 17 11.135 1.305 10.246 1.00 61.53 C ATOM 272 CE LYS A 17 12.594 0.976 10.528 1.00 33.05 C ATOM 273 NZ LYS A 17 13.512 2.013 9.979 1.00 70.23 N ATOM 0 H LYS A 17 8.696 -3.184 9.097 1.00 62.41 H new ATOM 0 HA LYS A 17 8.629 -1.726 11.663 1.00 1.23 H new ATOM 0 HB2 LYS A 17 10.896 -1.599 10.477 1.00 73.35 H new ATOM 0 HB3 LYS A 17 10.076 -0.770 9.169 1.00 73.35 H new ATOM 0 HG2 LYS A 17 9.223 0.829 11.095 1.00 71.30 H new ATOM 0 HG3 LYS A 17 10.584 0.172 11.983 1.00 71.30 H new ATOM 0 HD2 LYS A 17 10.948 1.244 9.174 1.00 61.53 H new ATOM 0 HD3 LYS A 17 10.927 2.331 10.548 1.00 61.53 H new ATOM 0 HE2 LYS A 17 12.746 0.890 11.604 1.00 33.05 H new ATOM 0 HE3 LYS A 17 12.839 0.007 10.093 1.00 33.05 H new ATOM 0 HZ1 LYS A 17 14.496 1.753 10.192 1.00 70.23 H new ATOM 0 HZ2 LYS A 17 13.386 2.078 8.949 1.00 70.23 H new ATOM 0 HZ3 LYS A 17 13.296 2.933 10.413 1.00 70.23 H new ATOM 283 N GLU A 18 6.648 -0.524 10.821 1.00 13.25 N ATOM 284 CA GLU A 18 5.460 0.189 10.362 1.00 71.43 C ATOM 285 C GLU A 18 5.506 1.653 10.788 1.00 71.51 C ATOM 286 O GLU A 18 5.977 1.979 11.876 1.00 53.54 O ATOM 287 CB GLU A 18 4.196 -0.474 10.913 1.00 24.12 C ATOM 288 CG GLU A 18 2.937 0.350 10.703 1.00 43.12 C ATOM 289 CD GLU A 18 2.666 1.304 11.850 1.00 31.15 C ATOM 290 OE1 GLU A 18 2.840 0.892 13.016 1.00 54.11 O ATOM 291 OE2 GLU A 18 2.279 2.460 11.581 1.00 51.31 O ATOM 0 H GLU A 18 6.708 -0.637 11.833 1.00 13.25 H new ATOM 0 HA GLU A 18 5.440 0.146 9.273 1.00 71.43 H new ATOM 0 HB2 GLU A 18 4.068 -1.446 10.436 1.00 24.12 H new ATOM 0 HB3 GLU A 18 4.327 -0.657 11.980 1.00 24.12 H new ATOM 0 HG2 GLU A 18 3.029 0.918 9.777 1.00 43.12 H new ATOM 0 HG3 GLU A 18 2.085 -0.319 10.583 1.00 43.12 H new ATOM 296 N GLU A 19 5.016 2.531 9.919 1.00 15.12 N ATOM 297 CA GLU A 19 5.002 3.961 10.204 1.00 14.53 C ATOM 298 C GLU A 19 3.922 4.669 9.391 1.00 22.41 C ATOM 299 O GLU A 19 3.418 4.131 8.404 1.00 61.53 O ATOM 300 CB GLU A 19 6.369 4.578 9.901 1.00 71.44 C ATOM 301 CG GLU A 19 6.679 5.812 10.731 1.00 40.10 C ATOM 302 CD GLU A 19 8.167 6.039 10.907 1.00 71.45 C ATOM 303 OE1 GLU A 19 8.906 5.927 9.906 1.00 44.11 O ATOM 304 OE2 GLU A 19 8.595 6.328 12.044 1.00 2.32 O ATOM 0 H GLU A 19 4.624 2.278 9.012 1.00 15.12 H new ATOM 0 HA GLU A 19 4.779 4.091 11.263 1.00 14.53 H new ATOM 0 HB2 GLU A 19 7.142 3.830 10.075 1.00 71.44 H new ATOM 0 HB3 GLU A 19 6.413 4.841 8.844 1.00 71.44 H new ATOM 0 HG2 GLU A 19 6.236 6.686 10.254 1.00 40.10 H new ATOM 0 HG3 GLU A 19 6.212 5.713 11.711 1.00 40.10 H new ATOM 309 N THR A 20 3.569 5.879 9.812 1.00 54.44 N ATOM 310 CA THR A 20 2.547 6.661 9.126 1.00 64.45 C ATOM 311 C THR A 20 3.175 7.756 8.271 1.00 63.15 C ATOM 312 O THR A 20 4.302 8.184 8.522 1.00 60.01 O ATOM 313 CB THR A 20 1.566 7.302 10.124 1.00 74.22 C ATOM 314 OG1 THR A 20 2.283 7.832 11.245 1.00 3.12 O ATOM 315 CG2 THR A 20 0.541 6.286 10.604 1.00 52.02 C ATOM 0 H THR A 20 3.976 6.340 10.626 1.00 54.44 H new ATOM 0 HA THR A 20 1.999 5.972 8.483 1.00 64.45 H new ATOM 0 HB THR A 20 1.041 8.110 9.615 1.00 74.22 H new ATOM 0 HG1 THR A 20 1.799 8.603 11.608 1.00 3.12 H new ATOM 0 HG21 THR A 20 -0.141 6.762 11.308 1.00 52.02 H new ATOM 0 HG22 THR A 20 -0.023 5.908 9.752 1.00 52.02 H new ATOM 0 HG23 THR A 20 1.052 5.459 11.097 1.00 52.02 H new ATOM 323 N PHE A 21 2.439 8.206 7.260 1.00 52.25 N ATOM 324 CA PHE A 21 2.924 9.252 6.368 1.00 64.30 C ATOM 325 C PHE A 21 1.891 10.365 6.222 1.00 10.33 C ATOM 326 O PHE A 21 0.688 10.110 6.193 1.00 41.21 O ATOM 327 CB PHE A 21 3.256 8.666 4.994 1.00 31.40 C ATOM 328 CG PHE A 21 4.365 9.391 4.286 1.00 71.31 C ATOM 329 CD1 PHE A 21 5.690 9.096 4.561 1.00 71.43 C ATOM 330 CD2 PHE A 21 4.081 10.368 3.343 1.00 44.45 C ATOM 331 CE1 PHE A 21 6.713 9.761 3.911 1.00 42.15 C ATOM 332 CE2 PHE A 21 5.100 11.035 2.690 1.00 2.42 C ATOM 333 CZ PHE A 21 6.417 10.732 2.975 1.00 41.20 C ATOM 0 H PHE A 21 1.505 7.862 7.038 1.00 52.25 H new ATOM 0 HA PHE A 21 3.829 9.675 6.804 1.00 64.30 H new ATOM 0 HB2 PHE A 21 3.534 7.619 5.112 1.00 31.40 H new ATOM 0 HB3 PHE A 21 2.361 8.690 4.372 1.00 31.40 H new ATOM 0 HD1 PHE A 21 5.927 8.337 5.292 1.00 71.43 H new ATOM 0 HD2 PHE A 21 3.053 10.610 3.117 1.00 44.45 H new ATOM 0 HE1 PHE A 21 7.742 9.521 4.135 1.00 42.15 H new ATOM 0 HE2 PHE A 21 4.867 11.793 1.957 1.00 2.42 H new ATOM 0 HZ PHE A 21 7.214 11.254 2.466 1.00 41.20 H new ATOM 342 N ASN A 22 2.371 11.601 6.132 1.00 33.12 N ATOM 343 CA ASN A 22 1.489 12.755 5.991 1.00 4.31 C ATOM 344 C ASN A 22 1.897 13.608 4.794 1.00 23.23 C ATOM 345 O ASN A 22 3.045 13.570 4.353 1.00 11.12 O ATOM 346 CB ASN A 22 1.513 13.601 7.266 1.00 64.44 C ATOM 347 CG ASN A 22 2.875 14.215 7.526 1.00 14.32 C ATOM 348 OD1 ASN A 22 3.830 13.514 7.862 1.00 34.02 O ATOM 349 ND2 ASN A 22 2.970 15.531 7.372 1.00 3.23 N ATOM 0 H ASN A 22 3.365 11.830 6.154 1.00 33.12 H new ATOM 0 HA ASN A 22 0.476 12.388 5.825 1.00 4.31 H new ATOM 0 HB2 ASN A 22 0.769 14.394 7.187 1.00 64.44 H new ATOM 0 HB3 ASN A 22 1.229 12.981 8.116 1.00 64.44 H new ATOM 0 HD21 ASN A 22 3.861 16.000 7.534 1.00 3.23 H new ATOM 0 HD22 ASN A 22 2.152 16.072 7.092 1.00 3.23 H new ATOM 355 N GLY A 23 0.947 14.378 4.271 1.00 65.54 N ATOM 356 CA GLY A 23 1.227 15.230 3.130 1.00 4.53 C ATOM 357 C GLY A 23 0.145 15.154 2.071 1.00 64.15 C ATOM 358 O GLY A 23 -0.517 16.151 1.777 1.00 44.43 O ATOM 0 H GLY A 23 -0.011 14.427 4.617 1.00 65.54 H new ATOM 0 HA2 GLY A 23 1.330 16.261 3.467 1.00 4.53 H new ATOM 0 HA3 GLY A 23 2.182 14.942 2.691 1.00 4.53 H new ATOM 362 N ILE A 24 -0.034 13.970 1.494 1.00 21.05 N ATOM 363 CA ILE A 24 -1.043 13.769 0.461 1.00 54.31 C ATOM 364 C ILE A 24 -2.236 12.987 1.002 1.00 74.55 C ATOM 365 O ILE A 24 -2.090 12.153 1.895 1.00 15.53 O ATOM 366 CB ILE A 24 -0.462 13.024 -0.755 1.00 4.43 C ATOM 367 CG1 ILE A 24 -1.466 13.030 -1.911 1.00 51.53 C ATOM 368 CG2 ILE A 24 -0.094 11.598 -0.374 1.00 63.52 C ATOM 369 CD1 ILE A 24 -0.832 13.295 -3.259 1.00 50.10 C ATOM 0 H ILE A 24 0.506 13.136 1.724 1.00 21.05 H new ATOM 0 HA ILE A 24 -1.374 14.758 0.146 1.00 54.31 H new ATOM 0 HB ILE A 24 0.442 13.538 -1.081 1.00 4.43 H new ATOM 0 HG12 ILE A 24 -1.978 12.068 -1.942 1.00 51.53 H new ATOM 0 HG13 ILE A 24 -2.224 13.789 -1.719 1.00 51.53 H new ATOM 0 HG21 ILE A 24 0.315 11.083 -1.243 1.00 63.52 H new ATOM 0 HG22 ILE A 24 0.651 11.615 0.422 1.00 63.52 H new ATOM 0 HG23 ILE A 24 -0.984 11.073 -0.027 1.00 63.52 H new ATOM 0 HD11 ILE A 24 -1.601 13.285 -4.031 1.00 50.10 H new ATOM 0 HD12 ILE A 24 -0.344 14.269 -3.246 1.00 50.10 H new ATOM 0 HD13 ILE A 24 -0.094 12.522 -3.472 1.00 50.10 H new ATOM 380 N SER A 25 -3.414 13.262 0.453 1.00 22.20 N ATOM 381 CA SER A 25 -4.633 12.585 0.880 1.00 75.11 C ATOM 382 C SER A 25 -5.190 11.710 -0.238 1.00 14.13 C ATOM 383 O SER A 25 -6.368 11.800 -0.585 1.00 63.12 O ATOM 384 CB SER A 25 -5.684 13.609 1.314 1.00 44.32 C ATOM 385 OG SER A 25 -5.645 14.761 0.490 1.00 43.32 O ATOM 0 H SER A 25 -3.551 13.949 -0.289 1.00 22.20 H new ATOM 0 HA SER A 25 -4.386 11.946 1.728 1.00 75.11 H new ATOM 0 HB2 SER A 25 -6.676 13.159 1.268 1.00 44.32 H new ATOM 0 HB3 SER A 25 -5.511 13.894 2.352 1.00 44.32 H new ATOM 0 HG SER A 25 -6.327 15.399 0.787 1.00 43.32 H new ATOM 390 N LYS A 26 -4.334 10.862 -0.799 1.00 31.44 N ATOM 391 CA LYS A 26 -4.739 9.969 -1.879 1.00 42.14 C ATOM 392 C LYS A 26 -3.882 8.707 -1.889 1.00 20.00 C ATOM 393 O LYS A 26 -2.736 8.720 -1.441 1.00 60.11 O ATOM 394 CB LYS A 26 -4.631 10.683 -3.228 1.00 53.14 C ATOM 395 CG LYS A 26 -5.644 11.800 -3.407 1.00 73.20 C ATOM 396 CD LYS A 26 -5.508 12.462 -4.769 1.00 43.14 C ATOM 397 CE LYS A 26 -6.310 11.724 -5.829 1.00 34.10 C ATOM 398 NZ LYS A 26 -6.455 12.528 -7.075 1.00 13.02 N ATOM 0 H LYS A 26 -3.356 10.774 -0.524 1.00 31.44 H new ATOM 0 HA LYS A 26 -5.777 9.682 -1.710 1.00 42.14 H new ATOM 0 HB2 LYS A 26 -3.627 11.094 -3.333 1.00 53.14 H new ATOM 0 HB3 LYS A 26 -4.762 9.954 -4.027 1.00 53.14 H new ATOM 0 HG2 LYS A 26 -6.652 11.400 -3.295 1.00 73.20 H new ATOM 0 HG3 LYS A 26 -5.508 12.545 -2.624 1.00 73.20 H new ATOM 0 HD2 LYS A 26 -5.848 13.496 -4.708 1.00 43.14 H new ATOM 0 HD3 LYS A 26 -4.458 12.489 -5.059 1.00 43.14 H new ATOM 0 HE2 LYS A 26 -5.820 10.778 -6.062 1.00 34.10 H new ATOM 0 HE3 LYS A 26 -7.297 11.483 -5.435 1.00 34.10 H new ATOM 0 HZ1 LYS A 26 -7.008 11.990 -7.773 1.00 13.02 H new ATOM 0 HZ2 LYS A 26 -6.945 13.419 -6.858 1.00 13.02 H new ATOM 0 HZ3 LYS A 26 -5.514 12.736 -7.465 1.00 13.02 H new ATOM 408 N ILE A 27 -4.445 7.619 -2.404 1.00 21.25 N ATOM 409 CA ILE A 27 -3.731 6.351 -2.475 1.00 23.05 C ATOM 410 C ILE A 27 -2.710 6.357 -3.608 1.00 4.44 C ATOM 411 O ILE A 27 -1.746 5.592 -3.593 1.00 1.02 O ATOM 412 CB ILE A 27 -4.700 5.170 -2.678 1.00 60.42 C ATOM 413 CG1 ILE A 27 -5.687 5.086 -1.512 1.00 31.41 C ATOM 414 CG2 ILE A 27 -3.926 3.868 -2.820 1.00 41.33 C ATOM 415 CD1 ILE A 27 -5.038 4.721 -0.196 1.00 74.13 C ATOM 0 H ILE A 27 -5.393 7.591 -2.778 1.00 21.25 H new ATOM 0 HA ILE A 27 -3.213 6.227 -1.524 1.00 23.05 H new ATOM 0 HB ILE A 27 -5.264 5.336 -3.596 1.00 60.42 H new ATOM 0 HG12 ILE A 27 -6.192 6.046 -1.405 1.00 31.41 H new ATOM 0 HG13 ILE A 27 -6.453 4.347 -1.747 1.00 31.41 H new ATOM 0 HG21 ILE A 27 -4.624 3.043 -2.963 1.00 41.33 H new ATOM 0 HG22 ILE A 27 -3.260 3.933 -3.680 1.00 41.33 H new ATOM 0 HG23 ILE A 27 -3.338 3.694 -1.919 1.00 41.33 H new ATOM 0 HD11 ILE A 27 -5.797 4.680 0.585 1.00 74.13 H new ATOM 0 HD12 ILE A 27 -4.556 3.747 -0.286 1.00 74.13 H new ATOM 0 HD13 ILE A 27 -4.292 5.472 0.063 1.00 74.13 H new ATOM 426 N SER A 28 -2.930 7.225 -4.590 1.00 34.13 N ATOM 427 CA SER A 28 -2.030 7.331 -5.733 1.00 52.41 C ATOM 428 C SER A 28 -0.586 7.506 -5.273 1.00 51.52 C ATOM 429 O SER A 28 0.301 6.755 -5.678 1.00 11.44 O ATOM 430 CB SER A 28 -2.439 8.504 -6.625 1.00 13.11 C ATOM 431 OG SER A 28 -2.101 8.259 -7.978 1.00 5.20 O ATOM 0 H SER A 28 -3.724 7.865 -4.617 1.00 34.13 H new ATOM 0 HA SER A 28 -2.101 6.407 -6.306 1.00 52.41 H new ATOM 0 HB2 SER A 28 -3.513 8.672 -6.540 1.00 13.11 H new ATOM 0 HB3 SER A 28 -1.946 9.414 -6.283 1.00 13.11 H new ATOM 0 HG SER A 28 -2.375 9.023 -8.527 1.00 5.20 H new ATOM 436 N GLU A 29 -0.358 8.503 -4.424 1.00 13.44 N ATOM 437 CA GLU A 29 0.978 8.778 -3.909 1.00 74.11 C ATOM 438 C GLU A 29 1.380 7.746 -2.861 1.00 61.25 C ATOM 439 O GLU A 29 2.562 7.437 -2.699 1.00 42.44 O ATOM 440 CB GLU A 29 1.037 10.183 -3.306 1.00 74.30 C ATOM 441 CG GLU A 29 2.340 10.482 -2.584 1.00 42.53 C ATOM 442 CD GLU A 29 2.649 11.965 -2.524 1.00 52.32 C ATOM 443 OE1 GLU A 29 2.235 12.695 -3.449 1.00 70.14 O ATOM 444 OE2 GLU A 29 3.304 12.395 -1.552 1.00 11.42 O ATOM 0 H GLU A 29 -1.081 9.134 -4.078 1.00 13.44 H new ATOM 0 HA GLU A 29 1.680 8.718 -4.741 1.00 74.11 H new ATOM 0 HB2 GLU A 29 0.895 10.916 -4.100 1.00 74.30 H new ATOM 0 HB3 GLU A 29 0.209 10.305 -2.608 1.00 74.30 H new ATOM 0 HG2 GLU A 29 2.288 10.085 -1.570 1.00 42.53 H new ATOM 0 HG3 GLU A 29 3.157 9.965 -3.088 1.00 42.53 H new ATOM 449 N LEU A 30 0.390 7.215 -2.151 1.00 62.22 N ATOM 450 CA LEU A 30 0.640 6.216 -1.118 1.00 51.41 C ATOM 451 C LEU A 30 1.247 4.952 -1.716 1.00 23.33 C ATOM 452 O LEU A 30 2.285 4.471 -1.259 1.00 21.12 O ATOM 453 CB LEU A 30 -0.660 5.875 -0.387 1.00 53.15 C ATOM 454 CG LEU A 30 -0.506 5.301 1.023 1.00 54.04 C ATOM 455 CD1 LEU A 30 -1.866 5.134 1.682 1.00 10.13 C ATOM 456 CD2 LEU A 30 0.235 3.973 0.980 1.00 33.30 C ATOM 0 H LEU A 30 -0.593 7.460 -2.272 1.00 62.22 H new ATOM 0 HA LEU A 30 1.352 6.635 -0.407 1.00 51.41 H new ATOM 0 HB2 LEU A 30 -1.267 6.778 -0.326 1.00 53.15 H new ATOM 0 HB3 LEU A 30 -1.216 5.158 -0.991 1.00 53.15 H new ATOM 0 HG LEU A 30 0.080 6.001 1.618 1.00 54.04 H new ATOM 0 HD11 LEU A 30 -1.737 4.725 2.684 1.00 10.13 H new ATOM 0 HD12 LEU A 30 -2.360 6.103 1.747 1.00 10.13 H new ATOM 0 HD13 LEU A 30 -2.477 4.454 1.088 1.00 10.13 H new ATOM 0 HD21 LEU A 30 0.335 3.579 1.992 1.00 33.30 H new ATOM 0 HD22 LEU A 30 -0.324 3.264 0.369 1.00 33.30 H new ATOM 0 HD23 LEU A 30 1.225 4.122 0.549 1.00 33.30 H new ATOM 467 N LEU A 31 0.596 4.419 -2.745 1.00 40.20 N ATOM 468 CA LEU A 31 1.072 3.211 -3.409 1.00 11.43 C ATOM 469 C LEU A 31 2.367 3.482 -4.168 1.00 74.42 C ATOM 470 O LEU A 31 3.290 2.668 -4.149 1.00 40.12 O ATOM 471 CB LEU A 31 0.006 2.679 -4.370 1.00 55.00 C ATOM 472 CG LEU A 31 -0.901 1.578 -3.822 1.00 13.34 C ATOM 473 CD1 LEU A 31 -1.942 1.181 -4.856 1.00 23.23 C ATOM 474 CD2 LEU A 31 -0.079 0.370 -3.399 1.00 13.34 C ATOM 0 H LEU A 31 -0.263 4.805 -3.137 1.00 40.20 H new ATOM 0 HA LEU A 31 1.270 2.460 -2.644 1.00 11.43 H new ATOM 0 HB2 LEU A 31 -0.620 3.514 -4.685 1.00 55.00 H new ATOM 0 HB3 LEU A 31 0.506 2.300 -5.262 1.00 55.00 H new ATOM 0 HG LEU A 31 -1.419 1.964 -2.944 1.00 13.34 H new ATOM 0 HD11 LEU A 31 -2.579 0.396 -4.448 1.00 23.23 H new ATOM 0 HD12 LEU A 31 -2.552 2.048 -5.110 1.00 23.23 H new ATOM 0 HD13 LEU A 31 -1.443 0.814 -5.753 1.00 23.23 H new ATOM 0 HD21 LEU A 31 -0.742 -0.404 -3.011 1.00 13.34 H new ATOM 0 HD22 LEU A 31 0.467 -0.018 -4.259 1.00 13.34 H new ATOM 0 HD23 LEU A 31 0.628 0.664 -2.623 1.00 13.34 H new ATOM 485 N GLU A 32 2.428 4.631 -4.832 1.00 73.41 N ATOM 486 CA GLU A 32 3.612 5.009 -5.596 1.00 12.13 C ATOM 487 C GLU A 32 4.815 5.199 -4.677 1.00 51.12 C ATOM 488 O GLU A 32 5.945 4.868 -5.039 1.00 3.32 O ATOM 489 CB GLU A 32 3.349 6.296 -6.382 1.00 43.12 C ATOM 490 CG GLU A 32 4.570 6.817 -7.122 1.00 74.24 C ATOM 491 CD GLU A 32 4.329 8.169 -7.765 1.00 44.03 C ATOM 492 OE1 GLU A 32 3.855 8.199 -8.921 1.00 42.53 O ATOM 493 OE2 GLU A 32 4.616 9.195 -7.115 1.00 13.42 O ATOM 0 H GLU A 32 1.673 5.316 -4.857 1.00 73.41 H new ATOM 0 HA GLU A 32 3.834 4.203 -6.295 1.00 12.13 H new ATOM 0 HB2 GLU A 32 2.549 6.116 -7.100 1.00 43.12 H new ATOM 0 HB3 GLU A 32 2.995 7.065 -5.696 1.00 43.12 H new ATOM 0 HG2 GLU A 32 5.406 6.893 -6.427 1.00 74.24 H new ATOM 0 HG3 GLU A 32 4.858 6.100 -7.890 1.00 74.24 H new ATOM 498 N ARG A 33 4.564 5.735 -3.486 1.00 61.33 N ATOM 499 CA ARG A 33 5.626 5.970 -2.516 1.00 51.10 C ATOM 500 C ARG A 33 6.038 4.669 -1.833 1.00 23.14 C ATOM 501 O ARG A 33 7.225 4.362 -1.720 1.00 31.53 O ATOM 502 CB ARG A 33 5.171 6.987 -1.467 1.00 40.15 C ATOM 503 CG ARG A 33 6.235 7.311 -0.431 1.00 71.31 C ATOM 504 CD ARG A 33 7.279 8.268 -0.987 1.00 31.42 C ATOM 505 NE ARG A 33 6.736 9.607 -1.200 1.00 43.22 N ATOM 506 CZ ARG A 33 7.386 10.570 -1.843 1.00 62.11 C ATOM 507 NH1 ARG A 33 8.597 10.344 -2.334 1.00 62.42 N ATOM 508 NH2 ARG A 33 6.826 11.763 -1.996 1.00 64.40 N ATOM 0 H ARG A 33 3.635 6.014 -3.171 1.00 61.33 H new ATOM 0 HA ARG A 33 6.489 6.369 -3.050 1.00 51.10 H new ATOM 0 HB2 ARG A 33 4.874 7.907 -1.970 1.00 40.15 H new ATOM 0 HB3 ARG A 33 4.287 6.602 -0.959 1.00 40.15 H new ATOM 0 HG2 ARG A 33 5.766 7.753 0.448 1.00 71.31 H new ATOM 0 HG3 ARG A 33 6.720 6.391 -0.105 1.00 71.31 H new ATOM 0 HD2 ARG A 33 8.122 8.324 -0.299 1.00 31.42 H new ATOM 0 HD3 ARG A 33 7.662 7.878 -1.930 1.00 31.42 H new ATOM 0 HE ARG A 33 5.806 9.814 -0.835 1.00 43.22 H new ATOM 0 HH11 ARG A 33 9.032 9.428 -2.218 1.00 62.42 H new ATOM 0 HH12 ARG A 33 9.094 11.086 -2.827 1.00 62.42 H new ATOM 0 HH21 ARG A 33 5.895 11.941 -1.619 1.00 64.40 H new ATOM 0 HH22 ARG A 33 7.327 12.502 -2.490 1.00 64.40 H new ATOM 519 N LEU A 34 5.048 3.907 -1.379 1.00 65.45 N ATOM 520 CA LEU A 34 5.307 2.638 -0.707 1.00 5.13 C ATOM 521 C LEU A 34 5.947 1.636 -1.663 1.00 3.33 C ATOM 522 O LEU A 34 6.804 0.845 -1.269 1.00 12.53 O ATOM 523 CB LEU A 34 4.006 2.063 -0.142 1.00 73.51 C ATOM 524 CG LEU A 34 3.695 2.412 1.313 1.00 55.32 C ATOM 525 CD1 LEU A 34 4.649 1.691 2.252 1.00 2.00 C ATOM 526 CD2 LEU A 34 3.768 3.917 1.528 1.00 33.31 C ATOM 0 H LEU A 34 4.060 4.146 -1.464 1.00 65.45 H new ATOM 0 HA LEU A 34 6.001 2.824 0.113 1.00 5.13 H new ATOM 0 HB2 LEU A 34 3.179 2.409 -0.762 1.00 73.51 H new ATOM 0 HB3 LEU A 34 4.041 0.978 -0.235 1.00 73.51 H new ATOM 0 HG LEU A 34 2.681 2.082 1.536 1.00 55.32 H new ATOM 0 HD11 LEU A 34 4.411 1.952 3.283 1.00 2.00 H new ATOM 0 HD12 LEU A 34 4.547 0.614 2.118 1.00 2.00 H new ATOM 0 HD13 LEU A 34 5.674 1.989 2.029 1.00 2.00 H new ATOM 0 HD21 LEU A 34 3.544 4.147 2.570 1.00 33.31 H new ATOM 0 HD22 LEU A 34 4.770 4.271 1.286 1.00 33.31 H new ATOM 0 HD23 LEU A 34 3.042 4.412 0.883 1.00 33.31 H new ATOM 537 N LYS A 35 5.525 1.676 -2.922 1.00 61.24 N ATOM 538 CA LYS A 35 6.059 0.774 -3.937 1.00 12.45 C ATOM 539 C LYS A 35 7.575 0.904 -4.037 1.00 52.15 C ATOM 540 O LYS A 35 8.297 -0.093 -4.008 1.00 51.42 O ATOM 541 CB LYS A 35 5.420 1.069 -5.296 1.00 65.42 C ATOM 542 CG LYS A 35 6.202 0.506 -6.470 1.00 73.23 C ATOM 543 CD LYS A 35 5.314 0.299 -7.685 1.00 34.31 C ATOM 544 CE LYS A 35 4.974 1.621 -8.358 1.00 3.42 C ATOM 545 NZ LYS A 35 6.192 2.317 -8.859 1.00 11.54 N ATOM 0 H LYS A 35 4.815 2.323 -3.265 1.00 61.24 H new ATOM 0 HA LYS A 35 5.819 -0.248 -3.643 1.00 12.45 H new ATOM 0 HB2 LYS A 35 4.411 0.657 -5.311 1.00 65.42 H new ATOM 0 HB3 LYS A 35 5.325 2.148 -5.417 1.00 65.42 H new ATOM 0 HG2 LYS A 35 7.016 1.185 -6.725 1.00 73.23 H new ATOM 0 HG3 LYS A 35 6.656 -0.443 -6.184 1.00 73.23 H new ATOM 0 HD2 LYS A 35 5.817 -0.355 -8.398 1.00 34.31 H new ATOM 0 HD3 LYS A 35 4.395 -0.204 -7.384 1.00 34.31 H new ATOM 0 HE2 LYS A 35 4.291 1.441 -9.188 1.00 3.42 H new ATOM 0 HE3 LYS A 35 4.453 2.265 -7.650 1.00 3.42 H new ATOM 0 HZ1 LYS A 35 5.925 2.987 -9.609 1.00 11.54 H new ATOM 0 HZ2 LYS A 35 6.643 2.834 -8.077 1.00 11.54 H new ATOM 0 HZ3 LYS A 35 6.859 1.617 -9.242 1.00 11.54 H new ATOM 555 N VAL A 36 8.053 2.139 -4.154 1.00 23.02 N ATOM 556 CA VAL A 36 9.484 2.398 -4.256 1.00 74.01 C ATOM 557 C VAL A 36 10.165 2.263 -2.899 1.00 21.03 C ATOM 558 O VAL A 36 11.306 1.812 -2.809 1.00 70.22 O ATOM 559 CB VAL A 36 9.760 3.806 -4.819 1.00 22.14 C ATOM 560 CG1 VAL A 36 9.146 4.870 -3.922 1.00 43.15 C ATOM 561 CG2 VAL A 36 11.256 4.030 -4.979 1.00 31.53 C ATOM 0 H VAL A 36 7.470 2.976 -4.180 1.00 23.02 H new ATOM 0 HA VAL A 36 9.893 1.654 -4.940 1.00 74.01 H new ATOM 0 HB VAL A 36 9.296 3.883 -5.802 1.00 22.14 H new ATOM 0 HG11 VAL A 36 9.351 5.857 -4.336 1.00 43.15 H new ATOM 0 HG12 VAL A 36 8.068 4.718 -3.863 1.00 43.15 H new ATOM 0 HG13 VAL A 36 9.578 4.798 -2.924 1.00 43.15 H new ATOM 0 HG21 VAL A 36 11.434 5.029 -5.378 1.00 31.53 H new ATOM 0 HG22 VAL A 36 11.744 3.934 -4.009 1.00 31.53 H new ATOM 0 HG23 VAL A 36 11.664 3.288 -5.665 1.00 31.53 H new ATOM 571 N GLU A 37 9.456 2.657 -1.846 1.00 11.31 N ATOM 572 CA GLU A 37 9.993 2.579 -0.492 1.00 12.54 C ATOM 573 C GLU A 37 10.584 1.199 -0.219 1.00 32.14 C ATOM 574 O GLU A 37 11.721 1.078 0.236 1.00 43.21 O ATOM 575 CB GLU A 37 8.901 2.890 0.533 1.00 10.44 C ATOM 576 CG GLU A 37 9.394 2.885 1.970 1.00 34.32 C ATOM 577 CD GLU A 37 10.201 4.124 2.313 1.00 65.15 C ATOM 578 OE1 GLU A 37 9.714 5.241 2.046 1.00 34.55 O ATOM 579 OE2 GLU A 37 11.319 3.973 2.848 1.00 32.41 O ATOM 0 H GLU A 37 8.510 3.033 -1.904 1.00 11.31 H new ATOM 0 HA GLU A 37 10.788 3.320 -0.401 1.00 12.54 H new ATOM 0 HB2 GLU A 37 8.472 3.867 0.309 1.00 10.44 H new ATOM 0 HB3 GLU A 37 8.100 2.158 0.430 1.00 10.44 H new ATOM 0 HG2 GLU A 37 8.540 2.814 2.643 1.00 34.32 H new ATOM 0 HG3 GLU A 37 10.006 1.999 2.137 1.00 34.32 H new ATOM 584 N TYR A 38 9.803 0.162 -0.500 1.00 25.34 N ATOM 585 CA TYR A 38 10.245 -1.210 -0.283 1.00 61.21 C ATOM 586 C TYR A 38 10.828 -1.804 -1.562 1.00 11.32 C ATOM 587 O TYR A 38 11.807 -2.548 -1.526 1.00 1.23 O ATOM 588 CB TYR A 38 9.082 -2.072 0.209 1.00 44.44 C ATOM 589 CG TYR A 38 8.390 -1.514 1.432 1.00 13.52 C ATOM 590 CD1 TYR A 38 9.120 -0.937 2.465 1.00 2.45 C ATOM 591 CD2 TYR A 38 7.007 -1.562 1.555 1.00 44.03 C ATOM 592 CE1 TYR A 38 8.491 -0.427 3.585 1.00 71.01 C ATOM 593 CE2 TYR A 38 6.370 -1.054 2.670 1.00 15.31 C ATOM 594 CZ TYR A 38 7.116 -0.487 3.682 1.00 52.30 C ATOM 595 OH TYR A 38 6.486 0.021 4.795 1.00 75.42 O ATOM 0 H TYR A 38 8.860 0.246 -0.879 1.00 25.34 H new ATOM 0 HA TYR A 38 11.025 -1.196 0.478 1.00 61.21 H new ATOM 0 HB2 TYR A 38 8.353 -2.177 -0.595 1.00 44.44 H new ATOM 0 HB3 TYR A 38 9.452 -3.072 0.436 1.00 44.44 H new ATOM 0 HD1 TYR A 38 10.196 -0.886 2.391 1.00 2.45 H new ATOM 0 HD2 TYR A 38 6.419 -2.005 0.764 1.00 44.03 H new ATOM 0 HE1 TYR A 38 9.073 0.016 4.380 1.00 71.01 H new ATOM 0 HE2 TYR A 38 5.294 -1.100 2.749 1.00 15.31 H new ATOM 0 HH TYR A 38 6.164 -0.717 5.354 1.00 75.42 H new ATOM 604 N GLY A 39 10.217 -1.467 -2.694 1.00 43.11 N ATOM 605 CA GLY A 39 10.686 -1.974 -3.970 1.00 61.34 C ATOM 606 C GLY A 39 9.589 -2.657 -4.762 1.00 72.45 C ATOM 607 O GLY A 39 8.433 -2.682 -4.342 1.00 54.43 O ATOM 0 H GLY A 39 9.405 -0.852 -2.750 1.00 43.11 H new ATOM 0 HA2 GLY A 39 11.094 -1.151 -4.556 1.00 61.34 H new ATOM 0 HA3 GLY A 39 11.500 -2.679 -3.800 1.00 61.34 H new ATOM 611 N SER A 40 9.952 -3.213 -5.914 1.00 75.21 N ATOM 612 CA SER A 40 8.989 -3.894 -6.771 1.00 2.24 C ATOM 613 C SER A 40 8.531 -5.205 -6.139 1.00 41.24 C ATOM 614 O SER A 40 7.393 -5.633 -6.325 1.00 52.03 O ATOM 615 CB SER A 40 9.599 -4.164 -8.147 1.00 30.41 C ATOM 616 OG SER A 40 10.577 -5.187 -8.080 1.00 50.15 O ATOM 0 H SER A 40 10.906 -3.205 -6.275 1.00 75.21 H new ATOM 0 HA SER A 40 8.122 -3.244 -6.888 1.00 2.24 H new ATOM 0 HB2 SER A 40 8.814 -4.453 -8.846 1.00 30.41 H new ATOM 0 HB3 SER A 40 10.050 -3.250 -8.534 1.00 30.41 H new ATOM 0 HG SER A 40 10.950 -5.342 -8.973 1.00 50.15 H new ATOM 621 N GLU A 41 9.430 -5.838 -5.390 1.00 3.42 N ATOM 622 CA GLU A 41 9.120 -7.101 -4.730 1.00 22.33 C ATOM 623 C GLU A 41 7.828 -6.991 -3.925 1.00 44.53 C ATOM 624 O GLU A 41 7.014 -7.915 -3.907 1.00 1.21 O ATOM 625 CB GLU A 41 10.271 -7.520 -3.814 1.00 15.02 C ATOM 626 CG GLU A 41 11.627 -7.513 -4.499 1.00 64.24 C ATOM 627 CD GLU A 41 12.579 -8.540 -3.917 1.00 55.15 C ATOM 628 OE1 GLU A 41 12.408 -8.906 -2.736 1.00 44.41 O ATOM 629 OE2 GLU A 41 13.497 -8.976 -4.643 1.00 51.13 O ATOM 0 H GLU A 41 10.377 -5.497 -5.226 1.00 3.42 H new ATOM 0 HA GLU A 41 8.984 -7.860 -5.500 1.00 22.33 H new ATOM 0 HB2 GLU A 41 10.304 -6.849 -2.955 1.00 15.02 H new ATOM 0 HB3 GLU A 41 10.073 -8.520 -3.430 1.00 15.02 H new ATOM 0 HG2 GLU A 41 11.494 -7.708 -5.563 1.00 64.24 H new ATOM 0 HG3 GLU A 41 12.070 -6.521 -4.410 1.00 64.24 H new ATOM 634 N PHE A 42 7.647 -5.856 -3.259 1.00 61.22 N ATOM 635 CA PHE A 42 6.457 -5.625 -2.449 1.00 63.30 C ATOM 636 C PHE A 42 5.219 -5.482 -3.331 1.00 72.43 C ATOM 637 O PHE A 42 4.219 -6.172 -3.135 1.00 42.43 O ATOM 638 CB PHE A 42 6.633 -4.370 -1.592 1.00 4.54 C ATOM 639 CG PHE A 42 5.407 -4.005 -0.805 1.00 3.03 C ATOM 640 CD1 PHE A 42 4.410 -3.226 -1.371 1.00 71.25 C ATOM 641 CD2 PHE A 42 5.249 -4.442 0.501 1.00 11.04 C ATOM 642 CE1 PHE A 42 3.281 -2.888 -0.649 1.00 74.44 C ATOM 643 CE2 PHE A 42 4.122 -4.108 1.228 1.00 31.31 C ATOM 644 CZ PHE A 42 3.137 -3.330 0.651 1.00 1.43 C ATOM 0 H PHE A 42 8.310 -5.081 -3.264 1.00 61.22 H new ATOM 0 HA PHE A 42 6.320 -6.487 -1.796 1.00 63.30 H new ATOM 0 HB2 PHE A 42 7.464 -4.523 -0.904 1.00 4.54 H new ATOM 0 HB3 PHE A 42 6.903 -3.534 -2.237 1.00 4.54 H new ATOM 0 HD1 PHE A 42 4.517 -2.879 -2.388 1.00 71.25 H new ATOM 0 HD2 PHE A 42 6.016 -5.051 0.956 1.00 11.04 H new ATOM 0 HE1 PHE A 42 2.512 -2.279 -1.101 1.00 74.44 H new ATOM 0 HE2 PHE A 42 4.012 -4.454 2.245 1.00 31.31 H new ATOM 0 HZ PHE A 42 2.255 -3.068 1.216 1.00 1.43 H new ATOM 653 N THR A 43 5.295 -4.581 -4.305 1.00 33.52 N ATOM 654 CA THR A 43 4.182 -4.345 -5.217 1.00 51.32 C ATOM 655 C THR A 43 3.771 -5.630 -5.926 1.00 35.54 C ATOM 656 O THR A 43 2.583 -5.893 -6.117 1.00 42.34 O ATOM 657 CB THR A 43 4.536 -3.280 -6.272 1.00 53.42 C ATOM 658 OG1 THR A 43 5.608 -2.457 -5.798 1.00 54.35 O ATOM 659 CG2 THR A 43 3.329 -2.413 -6.592 1.00 1.52 C ATOM 0 H THR A 43 6.116 -4.002 -4.483 1.00 33.52 H new ATOM 0 HA THR A 43 3.349 -3.984 -4.613 1.00 51.32 H new ATOM 0 HB THR A 43 4.847 -3.793 -7.182 1.00 53.42 H new ATOM 0 HG1 THR A 43 5.254 -1.782 -5.182 1.00 54.35 H new ATOM 0 HG21 THR A 43 3.604 -1.669 -7.339 1.00 1.52 H new ATOM 0 HG22 THR A 43 2.525 -3.038 -6.981 1.00 1.52 H new ATOM 0 HG23 THR A 43 2.992 -1.910 -5.686 1.00 1.52 H new ATOM 667 N LYS A 44 4.760 -6.428 -6.314 1.00 21.54 N ATOM 668 CA LYS A 44 4.502 -7.687 -7.003 1.00 3.51 C ATOM 669 C LYS A 44 3.988 -8.743 -6.028 1.00 40.25 C ATOM 670 O LYS A 44 3.076 -9.505 -6.348 1.00 32.13 O ATOM 671 CB LYS A 44 5.774 -8.187 -7.689 1.00 25.34 C ATOM 672 CG LYS A 44 6.189 -7.348 -8.885 1.00 33.41 C ATOM 673 CD LYS A 44 7.209 -8.072 -9.748 1.00 54.52 C ATOM 674 CE LYS A 44 6.535 -8.945 -10.795 1.00 44.34 C ATOM 675 NZ LYS A 44 7.507 -9.455 -11.802 1.00 42.44 N ATOM 0 H LYS A 44 5.748 -6.225 -6.163 1.00 21.54 H new ATOM 0 HA LYS A 44 3.736 -7.510 -7.758 1.00 3.51 H new ATOM 0 HB2 LYS A 44 6.588 -8.198 -6.964 1.00 25.34 H new ATOM 0 HB3 LYS A 44 5.621 -9.216 -8.013 1.00 25.34 H new ATOM 0 HG2 LYS A 44 5.311 -7.107 -9.484 1.00 33.41 H new ATOM 0 HG3 LYS A 44 6.609 -6.403 -8.540 1.00 33.41 H new ATOM 0 HD2 LYS A 44 7.853 -7.343 -10.240 1.00 54.52 H new ATOM 0 HD3 LYS A 44 7.849 -8.688 -9.117 1.00 54.52 H new ATOM 0 HE2 LYS A 44 6.045 -9.786 -10.305 1.00 44.34 H new ATOM 0 HE3 LYS A 44 5.757 -8.372 -11.299 1.00 44.34 H new ATOM 0 HZ1 LYS A 44 7.008 -10.046 -12.498 1.00 42.44 H new ATOM 0 HZ2 LYS A 44 7.957 -8.653 -12.288 1.00 42.44 H new ATOM 0 HZ3 LYS A 44 8.236 -10.023 -11.325 1.00 42.44 H new ATOM 685 N GLN A 45 4.581 -8.783 -4.839 1.00 34.24 N ATOM 686 CA GLN A 45 4.183 -9.745 -3.819 1.00 10.52 C ATOM 687 C GLN A 45 2.724 -9.547 -3.423 1.00 13.20 C ATOM 688 O GLN A 45 2.002 -10.511 -3.174 1.00 2.53 O ATOM 689 CB GLN A 45 5.081 -9.614 -2.587 1.00 3.43 C ATOM 690 CG GLN A 45 4.756 -10.616 -1.490 1.00 71.24 C ATOM 691 CD GLN A 45 5.676 -11.822 -1.511 1.00 2.24 C ATOM 692 OE1 GLN A 45 6.896 -11.685 -1.598 1.00 40.53 O ATOM 693 NE2 GLN A 45 5.092 -13.012 -1.433 1.00 72.45 N ATOM 0 H GLN A 45 5.339 -8.160 -4.559 1.00 34.24 H new ATOM 0 HA GLN A 45 4.294 -10.746 -4.236 1.00 10.52 H new ATOM 0 HB2 GLN A 45 6.120 -9.743 -2.889 1.00 3.43 H new ATOM 0 HB3 GLN A 45 4.989 -8.605 -2.185 1.00 3.43 H new ATOM 0 HG2 GLN A 45 4.830 -10.124 -0.520 1.00 71.24 H new ATOM 0 HG3 GLN A 45 3.724 -10.949 -1.601 1.00 71.24 H new ATOM 0 HE21 GLN A 45 4.077 -13.078 -1.362 1.00 72.45 H new ATOM 0 HE22 GLN A 45 5.659 -13.860 -1.444 1.00 72.45 H new ATOM 700 N MET A 46 2.297 -8.289 -3.368 1.00 12.43 N ATOM 701 CA MET A 46 0.922 -7.964 -3.002 1.00 63.44 C ATOM 702 C MET A 46 0.100 -7.613 -4.239 1.00 55.33 C ATOM 703 O MET A 46 -1.060 -7.217 -4.131 1.00 21.44 O ATOM 704 CB MET A 46 0.896 -6.801 -2.010 1.00 54.15 C ATOM 705 CG MET A 46 1.415 -5.495 -2.592 1.00 11.52 C ATOM 706 SD MET A 46 0.096 -4.310 -2.920 1.00 23.02 S ATOM 707 CE MET A 46 -0.151 -3.616 -1.287 1.00 22.31 C ATOM 0 H MET A 46 2.882 -7.479 -3.572 1.00 12.43 H new ATOM 0 HA MET A 46 0.480 -8.842 -2.531 1.00 63.44 H new ATOM 0 HB2 MET A 46 -0.126 -6.654 -1.662 1.00 54.15 H new ATOM 0 HB3 MET A 46 1.495 -7.064 -1.138 1.00 54.15 H new ATOM 0 HG2 MET A 46 2.132 -5.053 -1.900 1.00 11.52 H new ATOM 0 HG3 MET A 46 1.951 -5.702 -3.518 1.00 11.52 H new ATOM 0 HE1 MET A 46 -1.198 -3.341 -1.163 1.00 22.31 H new ATOM 0 HE2 MET A 46 0.122 -4.354 -0.533 1.00 22.31 H new ATOM 0 HE3 MET A 46 0.473 -2.730 -1.170 1.00 22.31 H new ATOM 715 N TYR A 47 0.710 -7.758 -5.410 1.00 30.11 N ATOM 716 CA TYR A 47 0.035 -7.453 -6.665 1.00 21.43 C ATOM 717 C TYR A 47 0.923 -7.794 -7.859 1.00 2.54 C ATOM 718 O TYR A 47 1.607 -6.929 -8.406 1.00 1.44 O ATOM 719 CB TYR A 47 -0.356 -5.975 -6.713 1.00 73.33 C ATOM 720 CG TYR A 47 -1.769 -5.737 -7.195 1.00 73.02 C ATOM 721 CD1 TYR A 47 -2.843 -6.396 -6.611 1.00 10.20 C ATOM 722 CD2 TYR A 47 -2.030 -4.851 -8.233 1.00 62.52 C ATOM 723 CE1 TYR A 47 -4.136 -6.182 -7.049 1.00 43.33 C ATOM 724 CE2 TYR A 47 -3.319 -4.630 -8.676 1.00 73.22 C ATOM 725 CZ TYR A 47 -4.368 -5.298 -8.081 1.00 33.03 C ATOM 726 OH TYR A 47 -5.655 -5.081 -8.519 1.00 11.13 O ATOM 0 H TYR A 47 1.670 -8.085 -5.516 1.00 30.11 H new ATOM 0 HA TYR A 47 -0.867 -8.063 -6.719 1.00 21.43 H new ATOM 0 HB2 TYR A 47 -0.244 -5.546 -5.717 1.00 73.33 H new ATOM 0 HB3 TYR A 47 0.336 -5.446 -7.368 1.00 73.33 H new ATOM 0 HD1 TYR A 47 -2.665 -7.087 -5.801 1.00 10.20 H new ATOM 0 HD2 TYR A 47 -1.211 -4.326 -8.701 1.00 62.52 H new ATOM 0 HE1 TYR A 47 -4.960 -6.704 -6.586 1.00 43.33 H new ATOM 0 HE2 TYR A 47 -3.504 -3.938 -9.484 1.00 73.22 H new ATOM 0 HH TYR A 47 -5.773 -5.488 -9.403 1.00 11.13 H new ATOM 735 N ASP A 48 0.907 -9.062 -8.256 1.00 20.14 N ATOM 736 CA ASP A 48 1.708 -9.519 -9.385 1.00 61.02 C ATOM 737 C ASP A 48 0.875 -9.559 -10.663 1.00 55.00 C ATOM 738 O ASP A 48 0.109 -10.494 -10.888 1.00 11.20 O ATOM 739 CB ASP A 48 2.288 -10.905 -9.098 1.00 53.41 C ATOM 740 CG ASP A 48 3.479 -11.228 -9.978 1.00 72.32 C ATOM 741 OD1 ASP A 48 3.524 -10.728 -11.122 1.00 3.43 O ATOM 742 OD2 ASP A 48 4.366 -11.981 -9.524 1.00 75.43 O ATOM 0 H ASP A 48 0.348 -9.791 -7.813 1.00 20.14 H new ATOM 0 HA ASP A 48 2.526 -8.812 -9.527 1.00 61.02 H new ATOM 0 HB2 ASP A 48 2.588 -10.961 -8.051 1.00 53.41 H new ATOM 0 HB3 ASP A 48 1.514 -11.658 -9.248 1.00 53.41 H new ATOM 746 N GLY A 49 1.030 -8.534 -11.495 1.00 31.22 N ATOM 747 CA GLY A 49 0.285 -8.470 -12.739 1.00 30.33 C ATOM 748 C GLY A 49 -1.068 -7.807 -12.571 1.00 21.12 C ATOM 749 O GLY A 49 -2.060 -8.250 -13.149 1.00 44.24 O ATOM 0 H GLY A 49 1.658 -7.747 -11.330 1.00 31.22 H new ATOM 0 HA2 GLY A 49 0.866 -7.920 -13.479 1.00 30.33 H new ATOM 0 HA3 GLY A 49 0.146 -9.479 -13.128 1.00 30.33 H new ATOM 753 N ASN A 50 -1.109 -6.742 -11.777 1.00 35.53 N ATOM 754 CA ASN A 50 -2.352 -6.018 -11.534 1.00 74.25 C ATOM 755 C ASN A 50 -3.364 -6.903 -10.814 1.00 52.32 C ATOM 756 O ASN A 50 -4.561 -6.618 -10.811 1.00 70.22 O ATOM 757 CB ASN A 50 -2.942 -5.517 -12.854 1.00 52.24 C ATOM 758 CG ASN A 50 -1.875 -5.039 -13.820 1.00 52.53 C ATOM 759 OD1 ASN A 50 -1.098 -4.137 -13.506 1.00 73.13 O ATOM 760 ND2 ASN A 50 -1.834 -5.642 -15.002 1.00 10.42 N ATOM 0 H ASN A 50 -0.297 -6.361 -11.291 1.00 35.53 H new ATOM 0 HA ASN A 50 -2.127 -5.162 -10.898 1.00 74.25 H new ATOM 0 HB2 ASN A 50 -3.517 -6.318 -13.319 1.00 52.24 H new ATOM 0 HB3 ASN A 50 -3.637 -4.702 -12.652 1.00 52.24 H new ATOM 0 HD21 ASN A 50 -1.138 -5.362 -15.693 1.00 10.42 H new ATOM 0 HD22 ASN A 50 -2.498 -6.385 -15.219 1.00 10.42 H new ATOM 766 N ASN A 51 -2.874 -7.977 -10.203 1.00 20.03 N ATOM 767 CA ASN A 51 -3.736 -8.904 -9.480 1.00 3.44 C ATOM 768 C ASN A 51 -2.957 -9.635 -8.390 1.00 10.22 C ATOM 769 O ASN A 51 -1.731 -9.738 -8.452 1.00 22.20 O ATOM 770 CB ASN A 51 -4.357 -9.916 -10.445 1.00 42.04 C ATOM 771 CG ASN A 51 -5.369 -10.819 -9.766 1.00 52.21 C ATOM 772 OD1 ASN A 51 -6.286 -10.345 -9.094 1.00 40.03 O ATOM 773 ND2 ASN A 51 -5.206 -12.125 -9.938 1.00 24.25 N ATOM 0 H ASN A 51 -1.885 -8.226 -10.194 1.00 20.03 H new ATOM 0 HA ASN A 51 -4.532 -8.327 -9.008 1.00 3.44 H new ATOM 0 HB2 ASN A 51 -4.841 -9.383 -11.263 1.00 42.04 H new ATOM 0 HB3 ASN A 51 -3.568 -10.526 -10.885 1.00 42.04 H new ATOM 0 HD21 ASN A 51 -5.855 -12.781 -9.505 1.00 24.25 H new ATOM 0 HD22 ASN A 51 -4.431 -12.472 -10.503 1.00 24.25 H new ATOM 779 N LEU A 52 -3.676 -10.139 -7.394 1.00 50.53 N ATOM 780 CA LEU A 52 -3.052 -10.861 -6.290 1.00 5.23 C ATOM 781 C LEU A 52 -2.363 -12.127 -6.787 1.00 25.40 C ATOM 782 O LEU A 52 -2.943 -12.906 -7.545 1.00 61.20 O ATOM 783 CB LEU A 52 -4.098 -11.219 -5.232 1.00 61.51 C ATOM 784 CG LEU A 52 -5.119 -10.129 -4.904 1.00 4.32 C ATOM 785 CD1 LEU A 52 -6.065 -10.597 -3.809 1.00 51.34 C ATOM 786 CD2 LEU A 52 -4.415 -8.846 -4.491 1.00 54.43 C ATOM 0 H LEU A 52 -4.691 -10.062 -7.327 1.00 50.53 H new ATOM 0 HA LEU A 52 -2.300 -10.211 -5.844 1.00 5.23 H new ATOM 0 HB2 LEU A 52 -4.637 -12.105 -5.568 1.00 61.51 H new ATOM 0 HB3 LEU A 52 -3.578 -11.491 -4.313 1.00 61.51 H new ATOM 0 HG LEU A 52 -5.705 -9.925 -5.800 1.00 4.32 H new ATOM 0 HD11 LEU A 52 -6.785 -9.809 -3.588 1.00 51.34 H new ATOM 0 HD12 LEU A 52 -6.595 -11.489 -4.143 1.00 51.34 H new ATOM 0 HD13 LEU A 52 -5.494 -10.829 -2.910 1.00 51.34 H new ATOM 0 HD21 LEU A 52 -5.157 -8.081 -4.261 1.00 54.43 H new ATOM 0 HD22 LEU A 52 -3.803 -9.034 -3.609 1.00 54.43 H new ATOM 0 HD23 LEU A 52 -3.779 -8.501 -5.306 1.00 54.43 H new ATOM 797 N PHE A 53 -1.122 -12.329 -6.355 1.00 34.51 N ATOM 798 CA PHE A 53 -0.353 -13.501 -6.756 1.00 24.33 C ATOM 799 C PHE A 53 -0.782 -14.730 -5.960 1.00 61.34 C ATOM 800 O PHE A 53 -1.331 -15.683 -6.514 1.00 71.42 O ATOM 801 CB PHE A 53 1.143 -13.247 -6.561 1.00 3.30 C ATOM 802 CG PHE A 53 2.003 -14.420 -6.937 1.00 55.55 C ATOM 803 CD1 PHE A 53 2.290 -14.689 -8.264 1.00 73.41 C ATOM 804 CD2 PHE A 53 2.524 -15.254 -5.960 1.00 52.05 C ATOM 805 CE1 PHE A 53 3.082 -15.766 -8.614 1.00 61.04 C ATOM 806 CE2 PHE A 53 3.317 -16.333 -6.303 1.00 61.31 C ATOM 807 CZ PHE A 53 3.596 -16.590 -7.631 1.00 42.01 C ATOM 0 H PHE A 53 -0.628 -11.695 -5.727 1.00 34.51 H new ATOM 0 HA PHE A 53 -0.546 -13.689 -7.812 1.00 24.33 H new ATOM 0 HB2 PHE A 53 1.438 -12.384 -7.158 1.00 3.30 H new ATOM 0 HB3 PHE A 53 1.327 -12.991 -5.518 1.00 3.30 H new ATOM 0 HD1 PHE A 53 1.890 -14.049 -9.036 1.00 73.41 H new ATOM 0 HD2 PHE A 53 2.308 -15.059 -4.920 1.00 52.05 H new ATOM 0 HE1 PHE A 53 3.299 -15.963 -9.653 1.00 61.04 H new ATOM 0 HE2 PHE A 53 3.718 -16.975 -5.533 1.00 61.31 H new ATOM 0 HZ PHE A 53 4.215 -17.433 -7.901 1.00 42.01 H new ATOM 816 N LYS A 54 -0.526 -14.701 -4.657 1.00 61.15 N ATOM 817 CA LYS A 54 -0.884 -15.811 -3.782 1.00 44.01 C ATOM 818 C LYS A 54 -2.307 -15.653 -3.257 1.00 41.12 C ATOM 819 O LYS A 54 -3.137 -16.548 -3.409 1.00 4.12 O ATOM 820 CB LYS A 54 0.097 -15.901 -2.610 1.00 13.14 C ATOM 821 CG LYS A 54 -0.192 -17.051 -1.661 1.00 4.41 C ATOM 822 CD LYS A 54 0.042 -18.396 -2.328 1.00 22.42 C ATOM 823 CE LYS A 54 -1.193 -19.280 -2.251 1.00 72.34 C ATOM 824 NZ LYS A 54 -1.869 -19.404 -3.572 1.00 61.13 N ATOM 0 H LYS A 54 -0.072 -13.920 -4.183 1.00 61.15 H new ATOM 0 HA LYS A 54 -0.831 -16.731 -4.364 1.00 44.01 H new ATOM 0 HB2 LYS A 54 1.108 -16.010 -3.001 1.00 13.14 H new ATOM 0 HB3 LYS A 54 0.070 -14.965 -2.052 1.00 13.14 H new ATOM 0 HG2 LYS A 54 0.444 -16.965 -0.780 1.00 4.41 H new ATOM 0 HG3 LYS A 54 -1.224 -16.989 -1.317 1.00 4.41 H new ATOM 0 HD2 LYS A 54 0.316 -18.243 -3.372 1.00 22.42 H new ATOM 0 HD3 LYS A 54 0.881 -18.900 -1.849 1.00 22.42 H new ATOM 0 HE2 LYS A 54 -0.909 -20.270 -1.894 1.00 72.34 H new ATOM 0 HE3 LYS A 54 -1.891 -18.866 -1.523 1.00 72.34 H new ATOM 0 HZ1 LYS A 54 -2.516 -20.218 -3.556 1.00 61.13 H new ATOM 0 HZ2 LYS A 54 -2.409 -18.537 -3.768 1.00 61.13 H new ATOM 0 HZ3 LYS A 54 -1.155 -19.543 -4.315 1.00 61.13 H new ATOM 834 N ASN A 55 -2.582 -14.508 -2.641 1.00 63.23 N ATOM 835 CA ASN A 55 -3.906 -14.232 -2.095 1.00 24.14 C ATOM 836 C ASN A 55 -3.860 -13.059 -1.122 1.00 54.11 C ATOM 837 O ASN A 55 -4.575 -13.040 -0.120 1.00 72.11 O ATOM 838 CB ASN A 55 -4.458 -15.473 -1.389 1.00 73.13 C ATOM 839 CG ASN A 55 -5.571 -16.139 -2.175 1.00 73.11 C ATOM 840 OD1 ASN A 55 -5.523 -17.338 -2.448 1.00 52.52 O ATOM 841 ND2 ASN A 55 -6.581 -15.360 -2.545 1.00 52.11 N ATOM 0 H ASN A 55 -1.906 -13.756 -2.507 1.00 63.23 H new ATOM 0 HA ASN A 55 -4.565 -13.969 -2.922 1.00 24.14 H new ATOM 0 HB2 ASN A 55 -3.650 -16.188 -1.232 1.00 73.13 H new ATOM 0 HB3 ASN A 55 -4.831 -15.192 -0.404 1.00 73.13 H new ATOM 0 HD21 ASN A 55 -7.358 -15.751 -3.077 1.00 52.11 H new ATOM 0 HD22 ASN A 55 -6.580 -14.371 -2.297 1.00 52.11 H new ATOM 847 N VAL A 56 -3.014 -12.079 -1.425 1.00 41.11 N ATOM 848 CA VAL A 56 -2.874 -10.900 -0.578 1.00 24.24 C ATOM 849 C VAL A 56 -4.128 -10.034 -0.632 1.00 42.53 C ATOM 850 O VAL A 56 -4.497 -9.524 -1.690 1.00 14.11 O ATOM 851 CB VAL A 56 -1.659 -10.050 -0.994 1.00 23.51 C ATOM 852 CG1 VAL A 56 -1.326 -9.031 0.085 1.00 64.41 C ATOM 853 CG2 VAL A 56 -0.461 -10.942 -1.285 1.00 23.44 C ATOM 0 H VAL A 56 -2.415 -12.078 -2.251 1.00 41.11 H new ATOM 0 HA VAL A 56 -2.725 -11.258 0.441 1.00 24.24 H new ATOM 0 HB VAL A 56 -1.910 -9.508 -1.906 1.00 23.51 H new ATOM 0 HG11 VAL A 56 -0.465 -8.440 -0.226 1.00 64.41 H new ATOM 0 HG12 VAL A 56 -2.181 -8.373 0.240 1.00 64.41 H new ATOM 0 HG13 VAL A 56 -1.093 -9.549 1.015 1.00 64.41 H new ATOM 0 HG21 VAL A 56 0.389 -10.326 -1.578 1.00 23.44 H new ATOM 0 HG22 VAL A 56 -0.206 -11.511 -0.391 1.00 23.44 H new ATOM 0 HG23 VAL A 56 -0.707 -11.629 -2.095 1.00 23.44 H new ATOM 863 N ILE A 57 -4.779 -9.872 0.516 1.00 64.22 N ATOM 864 CA ILE A 57 -5.991 -9.067 0.600 1.00 71.43 C ATOM 865 C ILE A 57 -5.777 -7.844 1.486 1.00 70.43 C ATOM 866 O ILE A 57 -5.653 -7.963 2.704 1.00 13.40 O ATOM 867 CB ILE A 57 -7.174 -9.885 1.149 1.00 32.31 C ATOM 868 CG1 ILE A 57 -7.389 -11.142 0.304 1.00 62.01 C ATOM 869 CG2 ILE A 57 -8.436 -9.037 1.178 1.00 71.10 C ATOM 870 CD1 ILE A 57 -7.494 -12.409 1.123 1.00 22.01 C ATOM 0 H ILE A 57 -4.487 -10.288 1.400 1.00 64.22 H new ATOM 0 HA ILE A 57 -6.225 -8.742 -0.414 1.00 71.43 H new ATOM 0 HB ILE A 57 -6.942 -10.191 2.169 1.00 32.31 H new ATOM 0 HG12 ILE A 57 -8.299 -11.023 -0.285 1.00 62.01 H new ATOM 0 HG13 ILE A 57 -6.564 -11.242 -0.401 1.00 62.01 H new ATOM 0 HG21 ILE A 57 -9.263 -9.629 1.569 1.00 71.10 H new ATOM 0 HG22 ILE A 57 -8.277 -8.169 1.818 1.00 71.10 H new ATOM 0 HG23 ILE A 57 -8.674 -8.704 0.168 1.00 71.10 H new ATOM 0 HD11 ILE A 57 -7.646 -13.260 0.459 1.00 22.01 H new ATOM 0 HD12 ILE A 57 -6.575 -12.552 1.692 1.00 22.01 H new ATOM 0 HD13 ILE A 57 -8.337 -12.330 1.809 1.00 22.01 H new ATOM 881 N ILE A 58 -5.738 -6.670 0.865 1.00 64.32 N ATOM 882 CA ILE A 58 -5.543 -5.425 1.597 1.00 61.12 C ATOM 883 C ILE A 58 -6.699 -4.460 1.358 1.00 74.52 C ATOM 884 O ILE A 58 -7.079 -4.200 0.215 1.00 2.11 O ATOM 885 CB ILE A 58 -4.224 -4.738 1.198 1.00 54.11 C ATOM 886 CG1 ILE A 58 -4.253 -3.260 1.594 1.00 33.33 C ATOM 887 CG2 ILE A 58 -3.979 -4.887 -0.296 1.00 52.43 C ATOM 888 CD1 ILE A 58 -2.899 -2.588 1.523 1.00 1.23 C ATOM 0 H ILE A 58 -5.839 -6.555 -0.143 1.00 64.32 H new ATOM 0 HA ILE A 58 -5.502 -5.684 2.655 1.00 61.12 H new ATOM 0 HB ILE A 58 -3.405 -5.221 1.730 1.00 54.11 H new ATOM 0 HG12 ILE A 58 -4.947 -2.731 0.941 1.00 33.33 H new ATOM 0 HG13 ILE A 58 -4.641 -3.172 2.609 1.00 33.33 H new ATOM 0 HG21 ILE A 58 -3.043 -4.396 -0.562 1.00 52.43 H new ATOM 0 HG22 ILE A 58 -3.919 -5.945 -0.551 1.00 52.43 H new ATOM 0 HG23 ILE A 58 -4.799 -4.427 -0.847 1.00 52.43 H new ATOM 0 HD11 ILE A 58 -2.996 -1.543 1.817 1.00 1.23 H new ATOM 0 HD12 ILE A 58 -2.207 -3.092 2.197 1.00 1.23 H new ATOM 0 HD13 ILE A 58 -2.518 -2.644 0.503 1.00 1.23 H new ATOM 899 N LEU A 59 -7.252 -3.929 2.443 1.00 32.35 N ATOM 900 CA LEU A 59 -8.365 -2.989 2.351 1.00 53.41 C ATOM 901 C LEU A 59 -7.911 -1.574 2.694 1.00 12.21 C ATOM 902 O LEU A 59 -6.860 -1.378 3.304 1.00 34.13 O ATOM 903 CB LEU A 59 -9.497 -3.416 3.288 1.00 72.41 C ATOM 904 CG LEU A 59 -10.487 -4.434 2.723 1.00 45.51 C ATOM 905 CD1 LEU A 59 -11.249 -3.843 1.547 1.00 64.50 C ATOM 906 CD2 LEU A 59 -9.764 -5.707 2.307 1.00 74.32 C ATOM 0 H LEU A 59 -6.949 -4.133 3.395 1.00 32.35 H new ATOM 0 HA LEU A 59 -8.730 -2.994 1.324 1.00 53.41 H new ATOM 0 HB2 LEU A 59 -9.055 -3.833 4.193 1.00 72.41 H new ATOM 0 HB3 LEU A 59 -10.052 -2.526 3.585 1.00 72.41 H new ATOM 0 HG LEU A 59 -11.204 -4.686 3.504 1.00 45.51 H new ATOM 0 HD11 LEU A 59 -11.949 -4.583 1.158 1.00 64.50 H new ATOM 0 HD12 LEU A 59 -11.799 -2.961 1.876 1.00 64.50 H new ATOM 0 HD13 LEU A 59 -10.546 -3.561 0.763 1.00 64.50 H new ATOM 0 HD21 LEU A 59 -10.484 -6.421 1.907 1.00 74.32 H new ATOM 0 HD22 LEU A 59 -9.024 -5.472 1.542 1.00 74.32 H new ATOM 0 HD23 LEU A 59 -9.265 -6.142 3.173 1.00 74.32 H new ATOM 917 N VAL A 60 -8.713 -0.589 2.300 1.00 74.04 N ATOM 918 CA VAL A 60 -8.397 0.808 2.569 1.00 54.33 C ATOM 919 C VAL A 60 -9.576 1.525 3.215 1.00 13.43 C ATOM 920 O VAL A 60 -10.672 1.568 2.656 1.00 63.51 O ATOM 921 CB VAL A 60 -8.002 1.553 1.280 1.00 72.35 C ATOM 922 CG1 VAL A 60 -7.693 3.012 1.578 1.00 62.31 C ATOM 923 CG2 VAL A 60 -6.813 0.873 0.616 1.00 30.21 C ATOM 0 H VAL A 60 -9.586 -0.734 1.793 1.00 74.04 H new ATOM 0 HA VAL A 60 -7.552 0.813 3.257 1.00 54.33 H new ATOM 0 HB VAL A 60 -8.845 1.519 0.589 1.00 72.35 H new ATOM 0 HG11 VAL A 60 -7.416 3.521 0.655 1.00 62.31 H new ATOM 0 HG12 VAL A 60 -8.574 3.490 2.006 1.00 62.31 H new ATOM 0 HG13 VAL A 60 -6.867 3.072 2.287 1.00 62.31 H new ATOM 0 HG21 VAL A 60 -6.547 1.412 -0.293 1.00 30.21 H new ATOM 0 HG22 VAL A 60 -5.964 0.874 1.300 1.00 30.21 H new ATOM 0 HG23 VAL A 60 -7.075 -0.155 0.365 1.00 30.21 H new ATOM 933 N ASN A 61 -9.345 2.089 4.397 1.00 4.05 N ATOM 934 CA ASN A 61 -10.391 2.805 5.120 1.00 65.44 C ATOM 935 C ASN A 61 -11.614 1.917 5.327 1.00 31.02 C ATOM 936 O ASN A 61 -12.737 2.406 5.445 1.00 11.11 O ATOM 937 CB ASN A 61 -10.788 4.072 4.360 1.00 1.21 C ATOM 938 CG ASN A 61 -11.645 5.002 5.197 1.00 50.11 C ATOM 939 OD1 ASN A 61 -11.550 5.015 6.424 1.00 50.24 O ATOM 940 ND2 ASN A 61 -12.487 5.786 4.535 1.00 52.11 N ATOM 0 H ASN A 61 -8.444 2.064 4.874 1.00 4.05 H new ATOM 0 HA ASN A 61 -9.998 3.084 6.098 1.00 65.44 H new ATOM 0 HB2 ASN A 61 -9.888 4.599 4.042 1.00 1.21 H new ATOM 0 HB3 ASN A 61 -11.332 3.796 3.457 1.00 1.21 H new ATOM 0 HD21 ASN A 61 -13.089 6.433 5.044 1.00 52.11 H new ATOM 0 HD22 ASN A 61 -12.532 5.741 3.517 1.00 52.11 H new ATOM 946 N GLY A 62 -11.388 0.607 5.370 1.00 44.11 N ATOM 947 CA GLY A 62 -12.481 -0.328 5.564 1.00 20.24 C ATOM 948 C GLY A 62 -13.339 -0.482 4.324 1.00 24.30 C ATOM 949 O GLY A 62 -14.528 -0.783 4.416 1.00 1.32 O ATOM 0 H GLY A 62 -10.468 0.177 5.274 1.00 44.11 H new ATOM 0 HA2 GLY A 62 -12.077 -1.301 5.846 1.00 20.24 H new ATOM 0 HA3 GLY A 62 -13.103 0.011 6.392 1.00 20.24 H new ATOM 953 N ASN A 63 -12.733 -0.276 3.158 1.00 1.02 N ATOM 954 CA ASN A 63 -13.450 -0.392 1.893 1.00 12.53 C ATOM 955 C ASN A 63 -12.480 -0.408 0.717 1.00 73.54 C ATOM 956 O ASN A 63 -11.726 0.542 0.509 1.00 61.12 O ATOM 957 CB ASN A 63 -14.441 0.765 1.736 1.00 51.44 C ATOM 958 CG ASN A 63 -15.843 0.389 2.177 1.00 52.12 C ATOM 959 OD1 ASN A 63 -16.381 -0.638 1.763 1.00 51.23 O ATOM 960 ND2 ASN A 63 -16.441 1.223 3.020 1.00 21.42 N ATOM 0 H ASN A 63 -11.748 -0.028 3.063 1.00 1.02 H new ATOM 0 HA ASN A 63 -13.999 -1.334 1.901 1.00 12.53 H new ATOM 0 HB2 ASN A 63 -14.096 1.618 2.321 1.00 51.44 H new ATOM 0 HB3 ASN A 63 -14.464 1.082 0.693 1.00 51.44 H new ATOM 0 HD21 ASN A 63 -17.385 1.024 3.351 1.00 21.42 H new ATOM 0 HD22 ASN A 63 -15.956 2.063 3.337 1.00 21.42 H new ATOM 966 N ASN A 64 -12.505 -1.493 -0.049 1.00 60.02 N ATOM 967 CA ASN A 64 -11.626 -1.632 -1.205 1.00 45.11 C ATOM 968 C ASN A 64 -11.740 -0.421 -2.124 1.00 74.14 C ATOM 969 O ASN A 64 -12.833 -0.057 -2.558 1.00 42.31 O ATOM 970 CB ASN A 64 -11.967 -2.908 -1.979 1.00 30.25 C ATOM 971 CG ASN A 64 -10.791 -3.429 -2.783 1.00 13.41 C ATOM 972 OD1 ASN A 64 -9.884 -2.676 -3.134 1.00 74.45 O ATOM 973 ND2 ASN A 64 -10.803 -4.723 -3.077 1.00 24.11 N ATOM 0 H ASN A 64 -13.124 -2.289 0.109 1.00 60.02 H new ATOM 0 HA ASN A 64 -10.599 -1.696 -0.845 1.00 45.11 H new ATOM 0 HB2 ASN A 64 -12.295 -3.677 -1.280 1.00 30.25 H new ATOM 0 HB3 ASN A 64 -12.803 -2.710 -2.650 1.00 30.25 H new ATOM 0 HD21 ASN A 64 -10.039 -5.131 -3.615 1.00 24.11 H new ATOM 0 HD22 ASN A 64 -11.577 -5.310 -2.765 1.00 24.11 H new ATOM 979 N ILE A 65 -10.601 0.201 -2.417 1.00 3.35 N ATOM 980 CA ILE A 65 -10.573 1.371 -3.286 1.00 5.12 C ATOM 981 C ILE A 65 -11.144 1.049 -4.662 1.00 64.20 C ATOM 982 O ILE A 65 -11.679 1.922 -5.346 1.00 41.11 O ATOM 983 CB ILE A 65 -9.141 1.914 -3.451 1.00 73.01 C ATOM 984 CG1 ILE A 65 -8.244 0.860 -4.101 1.00 50.23 C ATOM 985 CG2 ILE A 65 -8.578 2.340 -2.103 1.00 72.44 C ATOM 986 CD1 ILE A 65 -6.812 1.313 -4.282 1.00 31.14 C ATOM 0 H ILE A 65 -9.688 -0.086 -2.065 1.00 3.35 H new ATOM 0 HA ILE A 65 -11.190 2.133 -2.809 1.00 5.12 H new ATOM 0 HB ILE A 65 -9.172 2.788 -4.102 1.00 73.01 H new ATOM 0 HG12 ILE A 65 -8.256 -0.043 -3.490 1.00 50.23 H new ATOM 0 HG13 ILE A 65 -8.658 0.592 -5.073 1.00 50.23 H new ATOM 0 HG21 ILE A 65 -7.566 2.721 -2.236 1.00 72.44 H new ATOM 0 HG22 ILE A 65 -9.207 3.121 -1.676 1.00 72.44 H new ATOM 0 HG23 ILE A 65 -8.557 1.483 -1.430 1.00 72.44 H new ATOM 0 HD11 ILE A 65 -6.234 0.515 -4.748 1.00 31.14 H new ATOM 0 HD12 ILE A 65 -6.788 2.198 -4.918 1.00 31.14 H new ATOM 0 HD13 ILE A 65 -6.381 1.553 -3.310 1.00 31.14 H new ATOM 997 N THR A 66 -11.028 -0.214 -5.064 1.00 63.52 N ATOM 998 CA THR A 66 -11.533 -0.653 -6.359 1.00 43.31 C ATOM 999 C THR A 66 -13.032 -0.403 -6.478 1.00 41.25 C ATOM 1000 O THR A 66 -13.556 -0.230 -7.578 1.00 33.00 O ATOM 1001 CB THR A 66 -11.253 -2.151 -6.591 1.00 33.45 C ATOM 1002 OG1 THR A 66 -12.019 -2.941 -5.676 1.00 14.04 O ATOM 1003 CG2 THR A 66 -9.774 -2.457 -6.420 1.00 41.11 C ATOM 0 H THR A 66 -10.589 -0.950 -4.511 1.00 63.52 H new ATOM 0 HA THR A 66 -11.010 -0.071 -7.117 1.00 43.31 H new ATOM 0 HB THR A 66 -11.543 -2.398 -7.612 1.00 33.45 H new ATOM 0 HG1 THR A 66 -11.836 -3.891 -5.831 1.00 14.04 H new ATOM 0 HG21 THR A 66 -9.600 -3.520 -6.588 1.00 41.11 H new ATOM 0 HG22 THR A 66 -9.197 -1.877 -7.140 1.00 41.11 H new ATOM 0 HG23 THR A 66 -9.463 -2.194 -5.409 1.00 41.11 H new ATOM 1011 N SER A 67 -13.717 -0.386 -5.339 1.00 71.35 N ATOM 1012 CA SER A 67 -15.157 -0.160 -5.316 1.00 35.51 C ATOM 1013 C SER A 67 -15.528 1.068 -6.143 1.00 75.41 C ATOM 1014 O SER A 67 -16.494 1.049 -6.903 1.00 21.13 O ATOM 1015 CB SER A 67 -15.645 0.015 -3.877 1.00 31.45 C ATOM 1016 OG SER A 67 -15.436 -1.165 -3.121 1.00 52.35 O ATOM 0 H SER A 67 -13.298 -0.526 -4.420 1.00 71.35 H new ATOM 0 HA SER A 67 -15.643 -1.032 -5.753 1.00 35.51 H new ATOM 0 HB2 SER A 67 -15.119 0.848 -3.410 1.00 31.45 H new ATOM 0 HB3 SER A 67 -16.705 0.267 -3.877 1.00 31.45 H new ATOM 0 HG SER A 67 -14.552 -1.131 -2.700 1.00 52.35 H new ATOM 1021 N MET A 68 -14.749 2.135 -5.989 1.00 43.40 N ATOM 1022 CA MET A 68 -14.994 3.371 -6.721 1.00 31.24 C ATOM 1023 C MET A 68 -13.788 3.744 -7.578 1.00 23.23 C ATOM 1024 O MET A 68 -13.804 3.577 -8.798 1.00 12.25 O ATOM 1025 CB MET A 68 -15.315 4.509 -5.751 1.00 12.14 C ATOM 1026 CG MET A 68 -14.842 4.248 -4.330 1.00 11.03 C ATOM 1027 SD MET A 68 -15.222 5.610 -3.210 1.00 44.12 S ATOM 1028 CE MET A 68 -14.719 4.908 -1.641 1.00 5.31 C ATOM 0 H MET A 68 -13.944 2.167 -5.364 1.00 43.40 H new ATOM 0 HA MET A 68 -15.849 3.211 -7.378 1.00 31.24 H new ATOM 0 HB2 MET A 68 -14.854 5.427 -6.116 1.00 12.14 H new ATOM 0 HB3 MET A 68 -16.392 4.675 -5.742 1.00 12.14 H new ATOM 0 HG2 MET A 68 -15.308 3.336 -3.958 1.00 11.03 H new ATOM 0 HG3 MET A 68 -13.766 4.077 -4.335 1.00 11.03 H new ATOM 0 HE1 MET A 68 -14.893 5.633 -0.846 1.00 5.31 H new ATOM 0 HE2 MET A 68 -15.299 4.006 -1.443 1.00 5.31 H new ATOM 0 HE3 MET A 68 -13.659 4.657 -1.678 1.00 5.31 H new ATOM 1036 N LYS A 69 -12.742 4.248 -6.932 1.00 12.13 N ATOM 1037 CA LYS A 69 -11.527 4.644 -7.634 1.00 43.15 C ATOM 1038 C LYS A 69 -10.305 3.951 -7.037 1.00 74.12 C ATOM 1039 O LYS A 69 -10.118 3.942 -5.821 1.00 52.14 O ATOM 1040 CB LYS A 69 -11.348 6.162 -7.571 1.00 44.15 C ATOM 1041 CG LYS A 69 -12.128 6.911 -8.637 1.00 64.42 C ATOM 1042 CD LYS A 69 -11.595 6.613 -10.029 1.00 31.45 C ATOM 1043 CE LYS A 69 -11.999 7.691 -11.024 1.00 14.33 C ATOM 1044 NZ LYS A 69 -11.638 7.322 -12.419 1.00 64.40 N ATOM 0 H LYS A 69 -12.711 4.392 -5.923 1.00 12.13 H new ATOM 0 HA LYS A 69 -11.623 4.340 -8.676 1.00 43.15 H new ATOM 0 HB2 LYS A 69 -11.660 6.516 -6.588 1.00 44.15 H new ATOM 0 HB3 LYS A 69 -10.289 6.399 -7.674 1.00 44.15 H new ATOM 0 HG2 LYS A 69 -13.181 6.633 -8.582 1.00 64.42 H new ATOM 0 HG3 LYS A 69 -12.071 7.983 -8.446 1.00 64.42 H new ATOM 0 HD2 LYS A 69 -10.508 6.537 -9.995 1.00 31.45 H new ATOM 0 HD3 LYS A 69 -11.972 5.647 -10.365 1.00 31.45 H new ATOM 0 HE2 LYS A 69 -13.074 7.860 -10.960 1.00 14.33 H new ATOM 0 HE3 LYS A 69 -11.513 8.630 -10.759 1.00 14.33 H new ATOM 0 HZ1 LYS A 69 -11.930 8.082 -13.066 1.00 64.40 H new ATOM 0 HZ2 LYS A 69 -10.609 7.186 -12.487 1.00 64.40 H new ATOM 0 HZ3 LYS A 69 -12.122 6.440 -12.681 1.00 64.40 H new ATOM 1054 N GLY A 70 -9.476 3.375 -7.902 1.00 51.21 N ATOM 1055 CA GLY A 70 -8.281 2.690 -7.441 1.00 32.04 C ATOM 1056 C GLY A 70 -7.352 3.604 -6.666 1.00 4.43 C ATOM 1057 O GLY A 70 -7.561 3.849 -5.477 1.00 53.22 O ATOM 0 H GLY A 70 -9.610 3.370 -8.913 1.00 51.21 H new ATOM 0 HA2 GLY A 70 -8.568 1.849 -6.810 1.00 32.04 H new ATOM 0 HA3 GLY A 70 -7.749 2.278 -8.298 1.00 32.04 H new ATOM 1061 N LEU A 71 -6.324 4.107 -7.338 1.00 70.24 N ATOM 1062 CA LEU A 71 -5.357 4.997 -6.705 1.00 12.45 C ATOM 1063 C LEU A 71 -5.934 6.400 -6.542 1.00 33.54 C ATOM 1064 O LEU A 71 -5.418 7.210 -5.772 1.00 20.44 O ATOM 1065 CB LEU A 71 -4.071 5.055 -7.529 1.00 35.11 C ATOM 1066 CG LEU A 71 -2.956 4.100 -7.101 1.00 22.44 C ATOM 1067 CD1 LEU A 71 -3.382 2.655 -7.309 1.00 54.51 C ATOM 1068 CD2 LEU A 71 -1.676 4.396 -7.869 1.00 50.10 C ATOM 0 H LEU A 71 -6.138 3.914 -8.322 1.00 70.24 H new ATOM 0 HA LEU A 71 -5.129 4.600 -5.716 1.00 12.45 H new ATOM 0 HB2 LEU A 71 -4.320 4.847 -8.570 1.00 35.11 H new ATOM 0 HB3 LEU A 71 -3.684 6.073 -7.491 1.00 35.11 H new ATOM 0 HG LEU A 71 -2.762 4.251 -6.039 1.00 22.44 H new ATOM 0 HD11 LEU A 71 -2.576 1.990 -6.999 1.00 54.51 H new ATOM 0 HD12 LEU A 71 -4.272 2.449 -6.714 1.00 54.51 H new ATOM 0 HD13 LEU A 71 -3.604 2.489 -8.363 1.00 54.51 H new ATOM 0 HD21 LEU A 71 -0.894 3.707 -7.551 1.00 50.10 H new ATOM 0 HD22 LEU A 71 -1.856 4.274 -8.937 1.00 50.10 H new ATOM 0 HD23 LEU A 71 -1.360 5.420 -7.669 1.00 50.10 H new ATOM 1079 N ASP A 72 -7.008 6.681 -7.272 1.00 24.44 N ATOM 1080 CA ASP A 72 -7.658 7.985 -7.207 1.00 23.21 C ATOM 1081 C ASP A 72 -8.481 8.118 -5.931 1.00 0.53 C ATOM 1082 O ASP A 72 -9.007 9.190 -5.627 1.00 10.45 O ATOM 1083 CB ASP A 72 -8.553 8.194 -8.430 1.00 4.04 C ATOM 1084 CG ASP A 72 -7.922 9.110 -9.460 1.00 55.11 C ATOM 1085 OD1 ASP A 72 -6.911 8.707 -10.073 1.00 1.24 O ATOM 1086 OD2 ASP A 72 -8.439 10.231 -9.652 1.00 24.41 O ATOM 0 H ASP A 72 -7.447 6.023 -7.916 1.00 24.44 H new ATOM 0 HA ASP A 72 -6.882 8.751 -7.199 1.00 23.21 H new ATOM 0 HB2 ASP A 72 -8.767 7.229 -8.889 1.00 4.04 H new ATOM 0 HB3 ASP A 72 -9.507 8.614 -8.111 1.00 4.04 H new ATOM 1090 N THR A 73 -8.590 7.023 -5.184 1.00 60.54 N ATOM 1091 CA THR A 73 -9.351 7.017 -3.942 1.00 51.10 C ATOM 1092 C THR A 73 -8.769 8.004 -2.936 1.00 31.11 C ATOM 1093 O THR A 73 -7.574 7.975 -2.643 1.00 64.41 O ATOM 1094 CB THR A 73 -9.380 5.613 -3.307 1.00 74.21 C ATOM 1095 OG1 THR A 73 -10.637 4.982 -3.573 1.00 32.22 O ATOM 1096 CG2 THR A 73 -9.155 5.694 -1.805 1.00 25.31 C ATOM 0 H THR A 73 -8.160 6.128 -5.419 1.00 60.54 H new ATOM 0 HA THR A 73 -10.369 7.315 -4.194 1.00 51.10 H new ATOM 0 HB THR A 73 -8.577 5.022 -3.747 1.00 74.21 H new ATOM 0 HG1 THR A 73 -10.745 4.862 -4.540 1.00 32.22 H new ATOM 0 HG21 THR A 73 -9.180 4.691 -1.379 1.00 25.31 H new ATOM 0 HG22 THR A 73 -8.185 6.149 -1.606 1.00 25.31 H new ATOM 0 HG23 THR A 73 -9.939 6.300 -1.352 1.00 25.31 H new ATOM 1104 N GLU A 74 -9.622 8.878 -2.409 1.00 22.53 N ATOM 1105 CA GLU A 74 -9.190 9.875 -1.437 1.00 43.40 C ATOM 1106 C GLU A 74 -9.057 9.257 -0.047 1.00 65.33 C ATOM 1107 O GLU A 74 -9.752 8.296 0.285 1.00 0.21 O ATOM 1108 CB GLU A 74 -10.180 11.041 -1.394 1.00 72.41 C ATOM 1109 CG GLU A 74 -11.572 10.642 -0.936 1.00 53.44 C ATOM 1110 CD GLU A 74 -12.481 10.263 -2.089 1.00 71.20 C ATOM 1111 OE1 GLU A 74 -12.791 11.146 -2.916 1.00 61.13 O ATOM 1112 OE2 GLU A 74 -12.882 9.083 -2.165 1.00 50.24 O ATOM 0 H GLU A 74 -10.615 8.915 -2.639 1.00 22.53 H new ATOM 0 HA GLU A 74 -8.214 10.247 -1.747 1.00 43.40 H new ATOM 0 HB2 GLU A 74 -9.793 11.810 -0.725 1.00 72.41 H new ATOM 0 HB3 GLU A 74 -10.247 11.486 -2.387 1.00 72.41 H new ATOM 0 HG2 GLU A 74 -11.496 9.801 -0.247 1.00 53.44 H new ATOM 0 HG3 GLU A 74 -12.019 11.468 -0.383 1.00 53.44 H new ATOM 1117 N ILE A 75 -8.159 9.814 0.758 1.00 13.43 N ATOM 1118 CA ILE A 75 -7.936 9.318 2.110 1.00 53.11 C ATOM 1119 C ILE A 75 -7.641 10.464 3.073 1.00 11.40 C ATOM 1120 O ILE A 75 -6.940 11.415 2.729 1.00 31.32 O ATOM 1121 CB ILE A 75 -6.770 8.312 2.156 1.00 34.24 C ATOM 1122 CG1 ILE A 75 -5.569 8.855 1.378 1.00 22.44 C ATOM 1123 CG2 ILE A 75 -7.209 6.969 1.593 1.00 41.11 C ATOM 1124 CD1 ILE A 75 -4.384 7.915 1.364 1.00 72.24 C ATOM 0 H ILE A 75 -7.574 10.608 0.498 1.00 13.43 H new ATOM 0 HA ILE A 75 -8.852 8.814 2.417 1.00 53.11 H new ATOM 0 HB ILE A 75 -6.472 8.169 3.195 1.00 34.24 H new ATOM 0 HG12 ILE A 75 -5.873 9.059 0.351 1.00 22.44 H new ATOM 0 HG13 ILE A 75 -5.263 9.806 1.814 1.00 22.44 H new ATOM 0 HG21 ILE A 75 -6.375 6.268 1.632 1.00 41.11 H new ATOM 0 HG22 ILE A 75 -8.038 6.580 2.184 1.00 41.11 H new ATOM 0 HG23 ILE A 75 -7.529 7.095 0.559 1.00 41.11 H new ATOM 0 HD11 ILE A 75 -3.570 8.364 0.795 1.00 72.24 H new ATOM 0 HD12 ILE A 75 -4.054 7.731 2.386 1.00 72.24 H new ATOM 0 HD13 ILE A 75 -4.673 6.972 0.900 1.00 72.24 H new ATOM 1135 N LYS A 76 -8.181 10.364 4.284 1.00 74.15 N ATOM 1136 CA LYS A 76 -7.974 11.390 5.300 1.00 63.43 C ATOM 1137 C LYS A 76 -7.132 10.851 6.452 1.00 52.01 C ATOM 1138 O LYS A 76 -6.813 9.663 6.499 1.00 11.22 O ATOM 1139 CB LYS A 76 -9.320 11.891 5.829 1.00 73.32 C ATOM 1140 CG LYS A 76 -10.094 12.728 4.824 1.00 63.13 C ATOM 1141 CD LYS A 76 -9.467 14.099 4.640 1.00 71.40 C ATOM 1142 CE LYS A 76 -9.852 15.044 5.768 1.00 30.33 C ATOM 1143 NZ LYS A 76 -8.898 16.182 5.888 1.00 3.20 N ATOM 0 H LYS A 76 -8.765 9.584 4.585 1.00 74.15 H new ATOM 0 HA LYS A 76 -7.439 12.221 4.839 1.00 63.43 H new ATOM 0 HB2 LYS A 76 -9.928 11.035 6.121 1.00 73.32 H new ATOM 0 HB3 LYS A 76 -9.150 12.483 6.728 1.00 73.32 H new ATOM 0 HG2 LYS A 76 -10.126 12.210 3.866 1.00 63.13 H new ATOM 0 HG3 LYS A 76 -11.125 12.840 5.160 1.00 63.13 H new ATOM 0 HD2 LYS A 76 -8.382 14.002 4.600 1.00 71.40 H new ATOM 0 HD3 LYS A 76 -9.785 14.521 3.686 1.00 71.40 H new ATOM 0 HE2 LYS A 76 -10.856 15.429 5.592 1.00 30.33 H new ATOM 0 HE3 LYS A 76 -9.881 14.494 6.709 1.00 30.33 H new ATOM 0 HZ1 LYS A 76 -9.195 16.803 6.668 1.00 3.20 H new ATOM 0 HZ2 LYS A 76 -7.944 15.816 6.081 1.00 3.20 H new ATOM 0 HZ3 LYS A 76 -8.889 16.722 4.999 1.00 3.20 H new ATOM 1153 N ASP A 77 -6.777 11.732 7.381 1.00 13.12 N ATOM 1154 CA ASP A 77 -5.974 11.345 8.536 1.00 30.25 C ATOM 1155 C ASP A 77 -6.648 10.219 9.313 1.00 14.51 C ATOM 1156 O ASP A 77 -5.984 9.435 9.991 1.00 13.10 O ATOM 1157 CB ASP A 77 -5.745 12.548 9.452 1.00 70.50 C ATOM 1158 CG ASP A 77 -6.938 12.835 10.341 1.00 60.11 C ATOM 1159 OD1 ASP A 77 -8.005 13.200 9.805 1.00 23.22 O ATOM 1160 OD2 ASP A 77 -6.806 12.692 11.575 1.00 72.42 O ATOM 0 H ASP A 77 -7.033 12.719 7.357 1.00 13.12 H new ATOM 0 HA ASP A 77 -5.011 10.986 8.174 1.00 30.25 H new ATOM 0 HB2 ASP A 77 -4.868 12.366 10.073 1.00 70.50 H new ATOM 0 HB3 ASP A 77 -5.528 13.427 8.845 1.00 70.50 H new ATOM 1164 N ASP A 78 -7.972 10.147 9.212 1.00 74.54 N ATOM 1165 CA ASP A 78 -8.735 9.118 9.905 1.00 2.53 C ATOM 1166 C ASP A 78 -8.631 7.780 9.179 1.00 31.13 C ATOM 1167 O ASP A 78 -8.570 6.723 9.808 1.00 15.44 O ATOM 1168 CB ASP A 78 -10.203 9.534 10.024 1.00 74.34 C ATOM 1169 CG ASP A 78 -11.067 8.447 10.632 1.00 24.52 C ATOM 1170 OD1 ASP A 78 -11.587 7.608 9.867 1.00 40.40 O ATOM 1171 OD2 ASP A 78 -11.222 8.436 11.871 1.00 23.33 O ATOM 0 H ASP A 78 -8.537 10.789 8.657 1.00 74.54 H new ATOM 0 HA ASP A 78 -8.315 9.002 10.904 1.00 2.53 H new ATOM 0 HB2 ASP A 78 -10.274 10.434 10.635 1.00 74.34 H new ATOM 0 HB3 ASP A 78 -10.586 9.788 9.036 1.00 74.34 H new ATOM 1175 N ASP A 79 -8.612 7.834 7.851 1.00 51.40 N ATOM 1176 CA ASP A 79 -8.514 6.627 7.039 1.00 3.43 C ATOM 1177 C ASP A 79 -7.324 5.776 7.470 1.00 14.24 C ATOM 1178 O ASP A 79 -6.297 6.300 7.902 1.00 65.21 O ATOM 1179 CB ASP A 79 -8.388 6.992 5.559 1.00 21.02 C ATOM 1180 CG ASP A 79 -9.718 7.378 4.942 1.00 24.15 C ATOM 1181 OD1 ASP A 79 -10.523 8.038 5.631 1.00 72.20 O ATOM 1182 OD2 ASP A 79 -9.954 7.020 3.769 1.00 63.21 O ATOM 0 H ASP A 79 -8.663 8.700 7.315 1.00 51.40 H new ATOM 0 HA ASP A 79 -9.424 6.045 7.186 1.00 3.43 H new ATOM 0 HB2 ASP A 79 -7.687 7.819 5.450 1.00 21.02 H new ATOM 0 HB3 ASP A 79 -7.970 6.146 5.014 1.00 21.02 H new ATOM 1186 N LYS A 80 -7.470 4.461 7.350 1.00 51.22 N ATOM 1187 CA LYS A 80 -6.407 3.536 7.726 1.00 72.12 C ATOM 1188 C LYS A 80 -6.367 2.340 6.781 1.00 62.52 C ATOM 1189 O LYS A 80 -7.402 1.762 6.451 1.00 12.05 O ATOM 1190 CB LYS A 80 -6.608 3.055 9.165 1.00 65.22 C ATOM 1191 CG LYS A 80 -7.883 2.257 9.367 1.00 42.42 C ATOM 1192 CD LYS A 80 -8.104 1.920 10.833 1.00 21.24 C ATOM 1193 CE LYS A 80 -9.429 1.202 11.047 1.00 34.52 C ATOM 1194 NZ LYS A 80 -9.792 1.126 12.489 1.00 74.31 N ATOM 0 H LYS A 80 -8.314 4.012 6.995 1.00 51.22 H new ATOM 0 HA LYS A 80 -5.457 4.065 7.655 1.00 72.12 H new ATOM 0 HB2 LYS A 80 -5.755 2.442 9.456 1.00 65.22 H new ATOM 0 HB3 LYS A 80 -6.621 3.919 9.829 1.00 65.22 H new ATOM 0 HG2 LYS A 80 -8.733 2.827 8.992 1.00 42.42 H new ATOM 0 HG3 LYS A 80 -7.834 1.337 8.785 1.00 42.42 H new ATOM 0 HD2 LYS A 80 -7.287 1.293 11.190 1.00 21.24 H new ATOM 0 HD3 LYS A 80 -8.085 2.835 11.425 1.00 21.24 H new ATOM 0 HE2 LYS A 80 -10.216 1.722 10.501 1.00 34.52 H new ATOM 0 HE3 LYS A 80 -9.367 0.195 10.635 1.00 34.52 H new ATOM 0 HZ1 LYS A 80 -10.700 0.630 12.593 1.00 74.31 H new ATOM 0 HZ2 LYS A 80 -9.053 0.608 13.006 1.00 74.31 H new ATOM 0 HZ3 LYS A 80 -9.876 2.087 12.877 1.00 74.31 H new ATOM 1204 N ILE A 81 -5.164 1.974 6.349 1.00 42.11 N ATOM 1205 CA ILE A 81 -4.990 0.844 5.443 1.00 54.24 C ATOM 1206 C ILE A 81 -4.433 -0.369 6.180 1.00 24.54 C ATOM 1207 O ILE A 81 -3.460 -0.263 6.927 1.00 44.32 O ATOM 1208 CB ILE A 81 -4.049 1.199 4.277 1.00 33.13 C ATOM 1209 CG1 ILE A 81 -4.512 2.487 3.593 1.00 34.23 C ATOM 1210 CG2 ILE A 81 -3.990 0.054 3.277 1.00 13.03 C ATOM 1211 CD1 ILE A 81 -3.879 3.736 4.165 1.00 74.41 C ATOM 0 H ILE A 81 -4.297 2.443 6.611 1.00 42.11 H new ATOM 0 HA ILE A 81 -5.975 0.603 5.044 1.00 54.24 H new ATOM 0 HB ILE A 81 -3.047 1.361 4.675 1.00 33.13 H new ATOM 0 HG12 ILE A 81 -4.281 2.427 2.529 1.00 34.23 H new ATOM 0 HG13 ILE A 81 -5.596 2.566 3.680 1.00 34.23 H new ATOM 0 HG21 ILE A 81 -3.321 0.320 2.459 1.00 13.03 H new ATOM 0 HG22 ILE A 81 -3.619 -0.843 3.772 1.00 13.03 H new ATOM 0 HG23 ILE A 81 -4.988 -0.136 2.882 1.00 13.03 H new ATOM 0 HD11 ILE A 81 -4.253 4.610 3.632 1.00 74.41 H new ATOM 0 HD12 ILE A 81 -4.131 3.820 5.222 1.00 74.41 H new ATOM 0 HD13 ILE A 81 -2.796 3.679 4.053 1.00 74.41 H new ATOM 1222 N ASP A 82 -5.055 -1.523 5.961 1.00 3.12 N ATOM 1223 CA ASP A 82 -4.620 -2.759 6.601 1.00 64.22 C ATOM 1224 C ASP A 82 -4.313 -3.831 5.560 1.00 44.33 C ATOM 1225 O ASP A 82 -5.100 -4.063 4.641 1.00 15.04 O ATOM 1226 CB ASP A 82 -5.693 -3.262 7.569 1.00 61.34 C ATOM 1227 CG ASP A 82 -6.340 -2.137 8.352 1.00 61.10 C ATOM 1228 OD1 ASP A 82 -5.610 -1.224 8.791 1.00 33.14 O ATOM 1229 OD2 ASP A 82 -7.576 -2.169 8.525 1.00 71.11 O ATOM 0 H ASP A 82 -5.862 -1.628 5.345 1.00 3.12 H new ATOM 0 HA ASP A 82 -3.708 -2.549 7.159 1.00 64.22 H new ATOM 0 HB2 ASP A 82 -6.459 -3.799 7.010 1.00 61.34 H new ATOM 0 HB3 ASP A 82 -5.247 -3.974 8.263 1.00 61.34 H new ATOM 1233 N LEU A 83 -3.165 -4.482 5.710 1.00 32.34 N ATOM 1234 CA LEU A 83 -2.752 -5.530 4.782 1.00 13.24 C ATOM 1235 C LEU A 83 -2.944 -6.910 5.400 1.00 64.25 C ATOM 1236 O LEU A 83 -2.576 -7.142 6.553 1.00 25.31 O ATOM 1237 CB LEU A 83 -1.290 -5.335 4.380 1.00 63.45 C ATOM 1238 CG LEU A 83 -0.984 -5.442 2.886 1.00 14.23 C ATOM 1239 CD1 LEU A 83 0.474 -5.105 2.613 1.00 51.21 C ATOM 1240 CD2 LEU A 83 -1.317 -6.835 2.371 1.00 61.43 C ATOM 0 H LEU A 83 -2.503 -4.303 6.465 1.00 32.34 H new ATOM 0 HA LEU A 83 -3.378 -5.462 3.892 1.00 13.24 H new ATOM 0 HB2 LEU A 83 -0.967 -4.354 4.727 1.00 63.45 H new ATOM 0 HB3 LEU A 83 -0.687 -6.074 4.908 1.00 63.45 H new ATOM 0 HG LEU A 83 -1.607 -4.722 2.356 1.00 14.23 H new ATOM 0 HD11 LEU A 83 0.672 -5.187 1.544 1.00 51.21 H new ATOM 0 HD12 LEU A 83 0.680 -4.087 2.944 1.00 51.21 H new ATOM 0 HD13 LEU A 83 1.116 -5.799 3.155 1.00 51.21 H new ATOM 0 HD21 LEU A 83 -1.093 -6.892 1.306 1.00 61.43 H new ATOM 0 HD22 LEU A 83 -0.721 -7.573 2.908 1.00 61.43 H new ATOM 0 HD23 LEU A 83 -2.376 -7.038 2.530 1.00 61.43 H new ATOM 1251 N PHE A 84 -3.518 -7.825 4.627 1.00 44.13 N ATOM 1252 CA PHE A 84 -3.756 -9.185 5.097 1.00 41.44 C ATOM 1253 C PHE A 84 -3.045 -10.201 4.210 1.00 32.54 C ATOM 1254 O PHE A 84 -3.093 -10.131 2.981 1.00 63.33 O ATOM 1255 CB PHE A 84 -5.257 -9.480 5.130 1.00 43.00 C ATOM 1256 CG PHE A 84 -5.732 -10.032 6.444 1.00 60.41 C ATOM 1257 CD1 PHE A 84 -5.775 -9.229 7.572 1.00 4.32 C ATOM 1258 CD2 PHE A 84 -6.134 -11.354 6.551 1.00 70.23 C ATOM 1259 CE1 PHE A 84 -6.212 -9.734 8.782 1.00 13.31 C ATOM 1260 CE2 PHE A 84 -6.572 -11.863 7.758 1.00 61.04 C ATOM 1261 CZ PHE A 84 -6.610 -11.052 8.876 1.00 45.22 C ATOM 0 H PHE A 84 -3.827 -7.650 3.671 1.00 44.13 H new ATOM 0 HA PHE A 84 -3.354 -9.269 6.107 1.00 41.44 H new ATOM 0 HB2 PHE A 84 -5.804 -8.563 4.911 1.00 43.00 H new ATOM 0 HB3 PHE A 84 -5.497 -10.190 4.339 1.00 43.00 H new ATOM 0 HD1 PHE A 84 -5.464 -8.197 7.505 1.00 4.32 H new ATOM 0 HD2 PHE A 84 -6.104 -11.993 5.681 1.00 70.23 H new ATOM 0 HE1 PHE A 84 -6.242 -9.097 9.654 1.00 13.31 H new ATOM 0 HE2 PHE A 84 -6.885 -12.894 7.828 1.00 61.04 H new ATOM 0 HZ PHE A 84 -6.950 -11.449 9.821 1.00 45.22 H new ATOM 1270 N PRO A 85 -2.367 -11.169 4.844 1.00 74.52 N ATOM 1271 CA PRO A 85 -1.633 -12.219 4.132 1.00 72.23 C ATOM 1272 C PRO A 85 -2.561 -13.198 3.424 1.00 24.44 C ATOM 1273 O PRO A 85 -3.767 -13.237 3.671 1.00 61.23 O ATOM 1274 CB PRO A 85 -0.856 -12.927 5.245 1.00 23.03 C ATOM 1275 CG PRO A 85 -1.651 -12.675 6.480 1.00 30.04 C ATOM 1276 CD PRO A 85 -2.267 -11.314 6.306 1.00 62.13 C ATOM 0 HA PRO A 85 -0.999 -11.810 3.345 1.00 72.23 H new ATOM 0 HB2 PRO A 85 -0.762 -13.994 5.045 1.00 23.03 H new ATOM 0 HB3 PRO A 85 0.155 -12.530 5.337 1.00 23.03 H new ATOM 0 HG2 PRO A 85 -2.419 -13.437 6.612 1.00 30.04 H new ATOM 0 HG3 PRO A 85 -1.016 -12.706 7.366 1.00 30.04 H new ATOM 0 HD2 PRO A 85 -3.245 -11.251 6.784 1.00 62.13 H new ATOM 0 HD3 PRO A 85 -1.647 -10.533 6.746 1.00 62.13 H new ATOM 1281 N PRO A 86 -1.991 -14.010 2.521 1.00 1.31 N ATOM 1282 CA PRO A 86 -2.750 -15.005 1.759 1.00 45.31 C ATOM 1283 C PRO A 86 -3.236 -16.157 2.633 1.00 51.14 C ATOM 1284 O PRO A 86 -2.575 -16.537 3.599 1.00 64.34 O ATOM 1285 CB PRO A 86 -1.740 -15.507 0.725 1.00 22.21 C ATOM 1286 CG PRO A 86 -0.408 -15.264 1.348 1.00 23.42 C ATOM 1287 CD PRO A 86 -0.559 -14.018 2.175 1.00 22.40 C ATOM 0 HA PRO A 86 -3.653 -14.580 1.321 1.00 45.31 H new ATOM 0 HB2 PRO A 86 -1.888 -16.565 0.508 1.00 22.21 H new ATOM 0 HB3 PRO A 86 -1.840 -14.971 -0.219 1.00 22.21 H new ATOM 0 HG2 PRO A 86 -0.107 -16.109 1.967 1.00 23.42 H new ATOM 0 HG3 PRO A 86 0.361 -15.136 0.587 1.00 23.42 H new ATOM 0 HD2 PRO A 86 0.069 -14.048 3.065 1.00 22.40 H new ATOM 0 HD3 PRO A 86 -0.276 -13.127 1.615 1.00 22.40 H new ATOM 1292 N VAL A 87 -4.393 -16.710 2.287 1.00 22.44 N ATOM 1293 CA VAL A 87 -4.966 -17.819 3.038 1.00 44.51 C ATOM 1294 C VAL A 87 -3.953 -18.945 3.216 1.00 54.01 C ATOM 1295 O VAL A 87 -3.979 -19.665 4.213 1.00 64.35 O ATOM 1296 CB VAL A 87 -6.222 -18.380 2.343 1.00 63.24 C ATOM 1297 CG1 VAL A 87 -7.394 -17.425 2.506 1.00 51.30 C ATOM 1298 CG2 VAL A 87 -5.941 -18.648 0.873 1.00 34.34 C ATOM 0 H VAL A 87 -4.953 -16.407 1.490 1.00 22.44 H new ATOM 0 HA VAL A 87 -5.245 -17.427 4.016 1.00 44.51 H new ATOM 0 HB VAL A 87 -6.487 -19.325 2.817 1.00 63.24 H new ATOM 0 HG11 VAL A 87 -8.272 -17.838 2.009 1.00 51.30 H new ATOM 0 HG12 VAL A 87 -7.608 -17.289 3.566 1.00 51.30 H new ATOM 0 HG13 VAL A 87 -7.144 -16.462 2.060 1.00 51.30 H new ATOM 0 HG21 VAL A 87 -6.838 -19.044 0.397 1.00 34.34 H new ATOM 0 HG22 VAL A 87 -5.650 -17.719 0.383 1.00 34.34 H new ATOM 0 HG23 VAL A 87 -5.133 -19.374 0.784 1.00 34.34 H new ATOM 1308 N ALA A 88 -3.060 -19.088 2.243 1.00 74.55 N ATOM 1309 CA ALA A 88 -2.035 -20.123 2.293 1.00 30.52 C ATOM 1310 C ALA A 88 -0.797 -19.635 3.037 1.00 35.34 C ATOM 1311 O ALA A 88 -0.523 -20.065 4.156 1.00 11.05 O ATOM 1312 CB ALA A 88 -1.665 -20.568 0.885 1.00 50.41 C ATOM 0 H ALA A 88 -3.025 -18.500 1.410 1.00 74.55 H new ATOM 0 HA ALA A 88 -2.441 -20.975 2.837 1.00 30.52 H new ATOM 0 HB1 ALA A 88 -0.898 -21.341 0.937 1.00 50.41 H new ATOM 0 HB2 ALA A 88 -2.548 -20.966 0.385 1.00 50.41 H new ATOM 0 HB3 ALA A 88 -1.283 -19.716 0.323 1.00 50.41 H new