USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 889 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 86 THR OG1 : rot -33:sc= 0.368 USER MOD Set 1.2: A 115 GLN : amide:sc= 0.578 K(o=0.95,f=0.26) USER MOD Set 2.1: A 47 LYS NZ :NH3+ 159:sc= 0.616 (180deg=0.116) USER MOD Set 2.2: A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 164:sc= -0.0313 (180deg=-0.202) USER MOD Single : A 1 MET N :NH3+ -172:sc= 0 (180deg=-0.0277) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot -112:sc= 0.639 USER MOD Single : A 6 TYR OH : rot -172:sc= 1.12 USER MOD Single : A 7 TYR OH : rot 72:sc= 0.835 USER MOD Single : A 16 SER OG : rot -34:sc= -0.666! USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.263 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN :FLIP amide:sc= -0.137 F(o=-0.77,f=-0.14) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 133:sc= 0.379 USER MOD Single : A 37 ASN :FLIP amide:sc= -3.67 F(o=-4.5!,f=-3.7) USER MOD Single : A 40 ASN : amide:sc= 0.774 K(o=0.77,f=-5.4!) USER MOD Single : A 41 LYS NZ :NH3+ -167:sc= -0.0301 (180deg=-0.194) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 72:sc= 0.793 USER MOD Single : A 53 ASN : amide:sc= 0.468 X(o=0.47,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 171:sc= 0.855 (180deg=0.752) USER MOD Single : A 58 MET CE :methyl 163:sc= -0.0223 (180deg=-0.307) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 71 GLN : amide:sc= 0.243 K(o=0.24,f=-4.7!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 180:sc= -0.243 USER MOD Single : A 82 LYS NZ :NH3+ -167:sc=-0.00349 (180deg=-0.134) USER MOD Single : A 83 GLN : amide:sc= 0.18 K(o=0.18,f=-3.5!) USER MOD Single : A 89 LYS NZ :NH3+ 179:sc= 0 (180deg=-7.19e-05) USER MOD Single : A 90 TYR OH : rot 31:sc= -0.131 USER MOD Single : A 91 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0161) USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 HIS : no HD1:sc= -0.03 X(o=-0.03,f=-0.22) USER MOD Single : A 97 THR OG1 : rot 113:sc= 0.674 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 166:sc= 0.17 (180deg=-0.254) USER MOD Single : A 108 LYS NZ :NH3+ 163:sc= 0.664 (180deg=0.514) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 LYS NZ :NH3+ -165:sc= 0.78 (180deg=0.626) USER MOD Single : A 119 LYS NZ :NH3+ 155:sc= 0.549 (180deg=0.244) USER MOD Single : A 123 LYS NZ :NH3+ -164:sc= 0.932 (180deg=0.753) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.477 -9.888 16.021 1.00 42.12 N ATOM 2 CA MET A 1 4.203 -9.605 14.764 1.00 21.31 C ATOM 3 C MET A 1 5.379 -10.560 14.617 1.00 32.24 C ATOM 4 O MET A 1 6.394 -10.439 15.310 1.00 32.45 O ATOM 5 CB MET A 1 4.687 -8.151 14.731 1.00 51.25 C ATOM 6 CG MET A 1 3.570 -7.142 14.502 1.00 12.25 C ATOM 7 SD MET A 1 4.107 -5.422 14.660 1.00 62.32 S ATOM 8 CE MET A 1 5.322 -5.287 13.349 1.00 54.34 C ATOM 0 H1 MET A 1 2.601 -9.327 16.050 1.00 42.12 H new ATOM 0 H2 MET A 1 3.242 -10.900 16.066 1.00 42.12 H new ATOM 0 H3 MET A 1 4.077 -9.636 16.833 1.00 42.12 H new ATOM 0 HA MET A 1 3.520 -9.753 13.928 1.00 21.31 H new ATOM 0 HB2 MET A 1 5.185 -7.921 15.673 1.00 51.25 H new ATOM 0 HB3 MET A 1 5.431 -8.042 13.942 1.00 51.25 H new ATOM 0 HG2 MET A 1 3.153 -7.294 13.507 1.00 12.25 H new ATOM 0 HG3 MET A 1 2.768 -7.331 15.216 1.00 12.25 H new ATOM 0 HE1 MET A 1 5.522 -4.235 13.145 1.00 54.34 H new ATOM 0 HE2 MET A 1 6.245 -5.779 13.656 1.00 54.34 H new ATOM 0 HE3 MET A 1 4.939 -5.765 12.447 1.00 54.34 H new ATOM 20 N LYS A 2 5.211 -11.519 13.719 1.00 33.51 N ATOM 21 CA LYS A 2 6.221 -12.540 13.459 1.00 31.14 C ATOM 22 C LYS A 2 7.010 -12.197 12.196 1.00 1.04 C ATOM 23 O LYS A 2 6.613 -11.327 11.419 1.00 73.42 O ATOM 24 CB LYS A 2 5.572 -13.934 13.328 1.00 64.43 C ATOM 25 CG LYS A 2 4.538 -14.033 12.217 1.00 13.01 C ATOM 26 CD LYS A 2 4.065 -15.457 11.991 1.00 42.00 C ATOM 27 CE LYS A 2 5.145 -16.317 11.347 1.00 51.22 C ATOM 28 NZ LYS A 2 4.673 -17.700 11.091 1.00 64.14 N ATOM 0 H LYS A 2 4.371 -11.613 13.148 1.00 33.51 H new ATOM 0 HA LYS A 2 6.909 -12.564 14.304 1.00 31.14 H new ATOM 0 HB2 LYS A 2 6.354 -14.672 13.149 1.00 64.43 H new ATOM 0 HB3 LYS A 2 5.099 -14.194 14.275 1.00 64.43 H new ATOM 0 HG2 LYS A 2 3.683 -13.404 12.464 1.00 13.01 H new ATOM 0 HG3 LYS A 2 4.964 -13.644 11.292 1.00 13.01 H new ATOM 0 HD2 LYS A 2 3.770 -15.897 12.943 1.00 42.00 H new ATOM 0 HD3 LYS A 2 3.180 -15.449 11.355 1.00 42.00 H new ATOM 0 HE2 LYS A 2 5.460 -15.861 10.408 1.00 51.22 H new ATOM 0 HE3 LYS A 2 6.020 -16.347 11.996 1.00 51.22 H new ATOM 0 HZ1 LYS A 2 5.437 -18.252 10.652 1.00 64.14 H new ATOM 0 HZ2 LYS A 2 4.397 -18.144 11.990 1.00 64.14 H new ATOM 0 HZ3 LYS A 2 3.854 -17.674 10.451 1.00 64.14 H new ATOM 42 N ASP A 3 8.132 -12.877 12.021 1.00 45.11 N ATOM 43 CA ASP A 3 8.979 -12.716 10.850 1.00 64.00 C ATOM 44 C ASP A 3 8.291 -13.305 9.605 1.00 13.05 C ATOM 45 O ASP A 3 7.997 -14.503 9.536 1.00 4.34 O ATOM 46 CB ASP A 3 10.343 -13.372 11.130 1.00 73.44 C ATOM 47 CG ASP A 3 11.358 -13.221 10.015 1.00 54.03 C ATOM 48 OD1 ASP A 3 11.323 -14.002 9.043 1.00 64.31 O ATOM 49 OD2 ASP A 3 12.245 -12.365 10.152 1.00 15.32 O ATOM 0 H ASP A 3 8.483 -13.561 12.692 1.00 45.11 H new ATOM 0 HA ASP A 3 9.144 -11.658 10.645 1.00 64.00 H new ATOM 0 HB2 ASP A 3 10.758 -12.942 12.041 1.00 73.44 H new ATOM 0 HB3 ASP A 3 10.188 -14.434 11.321 1.00 73.44 H new ATOM 54 N GLY A 4 7.985 -12.412 8.678 1.00 11.04 N ATOM 55 CA GLY A 4 7.373 -12.757 7.413 1.00 3.44 C ATOM 56 C GLY A 4 6.933 -11.506 6.680 1.00 61.20 C ATOM 57 O GLY A 4 6.858 -10.431 7.276 1.00 42.33 O ATOM 0 H GLY A 4 8.159 -11.413 8.789 1.00 11.04 H new ATOM 0 HA2 GLY A 4 8.080 -13.315 6.800 1.00 3.44 H new ATOM 0 HA3 GLY A 4 6.515 -13.408 7.582 1.00 3.44 H new ATOM 61 N THR A 5 6.657 -11.628 5.393 1.00 21.23 N ATOM 62 CA THR A 5 6.171 -10.495 4.615 1.00 11.13 C ATOM 63 C THR A 5 4.656 -10.594 4.460 1.00 2.24 C ATOM 64 O THR A 5 4.130 -11.538 3.865 1.00 71.31 O ATOM 65 CB THR A 5 6.837 -10.411 3.222 1.00 15.10 C ATOM 66 OG1 THR A 5 8.242 -10.671 3.314 1.00 75.21 O ATOM 67 CG2 THR A 5 6.625 -9.043 2.591 1.00 13.11 C ATOM 0 H THR A 5 6.759 -12.494 4.864 1.00 21.23 H new ATOM 0 HA THR A 5 6.435 -9.586 5.156 1.00 11.13 H new ATOM 0 HB THR A 5 6.368 -11.168 2.594 1.00 15.10 H new ATOM 0 HG1 THR A 5 8.740 -9.852 3.112 1.00 75.21 H new ATOM 0 HG21 THR A 5 7.105 -9.015 1.613 1.00 13.11 H new ATOM 0 HG22 THR A 5 5.557 -8.857 2.477 1.00 13.11 H new ATOM 0 HG23 THR A 5 7.061 -8.276 3.231 1.00 13.11 H new ATOM 75 N TYR A 6 3.984 -9.610 5.018 1.00 73.33 N ATOM 76 CA TYR A 6 2.529 -9.534 5.060 1.00 34.41 C ATOM 77 C TYR A 6 2.030 -8.725 3.888 1.00 15.10 C ATOM 78 O TYR A 6 2.729 -7.862 3.388 1.00 64.24 O ATOM 79 CB TYR A 6 2.067 -8.837 6.351 1.00 73.13 C ATOM 80 CG TYR A 6 2.502 -9.483 7.649 1.00 71.12 C ATOM 81 CD1 TYR A 6 3.824 -9.462 8.072 1.00 74.12 C ATOM 82 CD2 TYR A 6 1.574 -10.077 8.471 1.00 62.01 C ATOM 83 CE1 TYR A 6 4.197 -10.025 9.268 1.00 64.31 C ATOM 84 CE2 TYR A 6 1.935 -10.622 9.671 1.00 23.25 C ATOM 85 CZ TYR A 6 3.245 -10.600 10.067 1.00 35.22 C ATOM 86 OH TYR A 6 3.588 -11.124 11.283 1.00 64.43 O ATOM 0 H TYR A 6 4.441 -8.817 5.468 1.00 73.33 H new ATOM 0 HA TYR A 6 2.132 -10.548 5.023 1.00 34.41 H new ATOM 0 HB2 TYR A 6 2.436 -7.811 6.338 1.00 73.13 H new ATOM 0 HB3 TYR A 6 0.978 -8.785 6.342 1.00 73.13 H new ATOM 0 HD1 TYR A 6 4.573 -8.995 7.450 1.00 74.12 H new ATOM 0 HD2 TYR A 6 0.540 -10.114 8.162 1.00 62.01 H new ATOM 0 HE1 TYR A 6 5.232 -10.014 9.576 1.00 64.31 H new ATOM 0 HE2 TYR A 6 1.186 -11.070 10.307 1.00 23.25 H new ATOM 0 HH TYR A 6 2.820 -11.599 11.663 1.00 64.43 H new ATOM 96 N TYR A 7 0.823 -8.999 3.461 1.00 74.44 N ATOM 97 CA TYR A 7 0.204 -8.226 2.407 1.00 34.01 C ATOM 98 C TYR A 7 -1.270 -8.001 2.756 1.00 10.55 C ATOM 99 O TYR A 7 -1.868 -8.830 3.448 1.00 14.25 O ATOM 100 CB TYR A 7 0.428 -8.953 1.051 1.00 14.45 C ATOM 101 CG TYR A 7 -0.816 -9.345 0.278 1.00 73.43 C ATOM 102 CD1 TYR A 7 -1.487 -10.534 0.545 1.00 13.34 C ATOM 103 CD2 TYR A 7 -1.313 -8.522 -0.719 1.00 74.33 C ATOM 104 CE1 TYR A 7 -2.623 -10.883 -0.162 1.00 22.12 C ATOM 105 CE2 TYR A 7 -2.447 -8.863 -1.427 1.00 61.22 C ATOM 106 CZ TYR A 7 -3.101 -10.041 -1.149 1.00 14.45 C ATOM 107 OH TYR A 7 -4.241 -10.371 -1.844 1.00 61.51 O ATOM 0 H TYR A 7 0.245 -9.755 3.828 1.00 74.44 H new ATOM 0 HA TYR A 7 0.655 -7.238 2.309 1.00 34.01 H new ATOM 0 HB2 TYR A 7 1.035 -8.309 0.415 1.00 14.45 H new ATOM 0 HB3 TYR A 7 1.010 -9.855 1.240 1.00 14.45 H new ATOM 0 HD1 TYR A 7 -1.116 -11.194 1.315 1.00 13.34 H new ATOM 0 HD2 TYR A 7 -0.804 -7.597 -0.946 1.00 74.33 H new ATOM 0 HE1 TYR A 7 -3.134 -11.809 0.056 1.00 22.12 H new ATOM 0 HE2 TYR A 7 -2.821 -8.206 -2.198 1.00 61.22 H new ATOM 0 HH TYR A 7 -5.022 -10.264 -1.261 1.00 61.51 H new ATOM 117 N ALA A 8 -1.842 -6.884 2.319 1.00 71.03 N ATOM 118 CA ALA A 8 -3.273 -6.658 2.465 1.00 71.10 C ATOM 119 C ALA A 8 -3.833 -5.973 1.245 1.00 22.20 C ATOM 120 O ALA A 8 -3.183 -5.115 0.678 1.00 13.44 O ATOM 121 CB ALA A 8 -3.562 -5.822 3.682 1.00 62.40 C ATOM 0 H ALA A 8 -1.337 -6.124 1.862 1.00 71.03 H new ATOM 0 HA ALA A 8 -3.750 -7.631 2.580 1.00 71.10 H new ATOM 0 HB1 ALA A 8 -4.637 -5.667 3.770 1.00 62.40 H new ATOM 0 HB2 ALA A 8 -3.196 -6.335 4.571 1.00 62.40 H new ATOM 0 HB3 ALA A 8 -3.063 -4.858 3.588 1.00 62.40 H new ATOM 127 N GLU A 9 -5.042 -6.337 0.876 1.00 55.52 N ATOM 128 CA GLU A 9 -5.696 -5.793 -0.302 1.00 65.13 C ATOM 129 C GLU A 9 -6.903 -4.956 0.113 1.00 11.54 C ATOM 130 O GLU A 9 -7.559 -5.247 1.119 1.00 23.31 O ATOM 131 CB GLU A 9 -6.108 -6.930 -1.265 1.00 33.40 C ATOM 132 CG GLU A 9 -7.243 -7.855 -0.789 1.00 52.44 C ATOM 133 CD GLU A 9 -6.846 -8.841 0.296 1.00 51.32 C ATOM 134 OE1 GLU A 9 -6.939 -8.493 1.493 1.00 24.45 O ATOM 135 OE2 GLU A 9 -6.440 -9.966 -0.044 1.00 65.20 O ATOM 0 H GLU A 9 -5.604 -7.020 1.384 1.00 55.52 H new ATOM 0 HA GLU A 9 -4.997 -5.146 -0.832 1.00 65.13 H new ATOM 0 HB2 GLU A 9 -6.407 -6.483 -2.213 1.00 33.40 H new ATOM 0 HB3 GLU A 9 -5.229 -7.543 -1.465 1.00 33.40 H new ATOM 0 HG2 GLU A 9 -8.064 -7.240 -0.419 1.00 52.44 H new ATOM 0 HG3 GLU A 9 -7.623 -8.412 -1.646 1.00 52.44 H new ATOM 142 N ALA A 10 -7.149 -3.893 -0.651 1.00 70.32 N ATOM 143 CA ALA A 10 -8.187 -2.904 -0.353 1.00 34.25 C ATOM 144 C ALA A 10 -9.594 -3.473 -0.481 1.00 42.15 C ATOM 145 O ALA A 10 -9.787 -4.584 -0.980 1.00 51.43 O ATOM 146 CB ALA A 10 -8.023 -1.698 -1.263 1.00 52.44 C ATOM 0 H ALA A 10 -6.628 -3.691 -1.504 1.00 70.32 H new ATOM 0 HA ALA A 10 -8.061 -2.604 0.687 1.00 34.25 H new ATOM 0 HB1 ALA A 10 -8.797 -0.965 -1.038 1.00 52.44 H new ATOM 0 HB2 ALA A 10 -7.042 -1.251 -1.102 1.00 52.44 H new ATOM 0 HB3 ALA A 10 -8.112 -2.012 -2.303 1.00 52.44 H new ATOM 152 N ASP A 11 -10.569 -2.680 -0.034 1.00 1.45 N ATOM 153 CA ASP A 11 -11.977 -3.071 -0.026 1.00 41.22 C ATOM 154 C ASP A 11 -12.490 -3.320 -1.445 1.00 43.32 C ATOM 155 O ASP A 11 -13.088 -4.360 -1.719 1.00 75.42 O ATOM 156 CB ASP A 11 -12.808 -1.986 0.672 1.00 61.15 C ATOM 157 CG ASP A 11 -14.290 -2.309 0.730 1.00 34.51 C ATOM 158 OD1 ASP A 11 -14.687 -3.145 1.569 1.00 10.42 O ATOM 159 OD2 ASP A 11 -15.062 -1.716 -0.052 1.00 22.41 O ATOM 0 H ASP A 11 -10.402 -1.744 0.334 1.00 1.45 H new ATOM 0 HA ASP A 11 -12.077 -4.006 0.525 1.00 41.22 H new ATOM 0 HB2 ASP A 11 -12.433 -1.848 1.686 1.00 61.15 H new ATOM 0 HB3 ASP A 11 -12.670 -1.040 0.149 1.00 61.15 H new ATOM 164 N ASP A 12 -12.200 -2.395 -2.350 1.00 62.22 N ATOM 165 CA ASP A 12 -12.638 -2.512 -3.729 1.00 24.13 C ATOM 166 C ASP A 12 -11.510 -2.064 -4.667 1.00 72.13 C ATOM 167 O ASP A 12 -10.395 -1.767 -4.221 1.00 20.44 O ATOM 168 CB ASP A 12 -13.900 -1.654 -3.943 1.00 3.43 C ATOM 169 CG ASP A 12 -14.898 -2.269 -4.907 1.00 2.21 C ATOM 170 OD1 ASP A 12 -14.700 -2.166 -6.132 1.00 42.14 O ATOM 171 OD2 ASP A 12 -15.902 -2.841 -4.441 1.00 30.50 O ATOM 0 H ASP A 12 -11.661 -1.553 -2.150 1.00 62.22 H new ATOM 0 HA ASP A 12 -12.882 -3.551 -3.952 1.00 24.13 H new ATOM 0 HB2 ASP A 12 -14.388 -1.494 -2.981 1.00 3.43 H new ATOM 0 HB3 ASP A 12 -13.604 -0.674 -4.317 1.00 3.43 H new ATOM 176 N PHE A 13 -11.809 -2.034 -5.958 1.00 25.52 N ATOM 177 CA PHE A 13 -10.912 -1.495 -6.971 1.00 21.20 C ATOM 178 C PHE A 13 -11.237 -0.010 -7.174 1.00 51.23 C ATOM 179 O PHE A 13 -12.265 0.472 -6.686 1.00 54.22 O ATOM 180 CB PHE A 13 -11.094 -2.250 -8.299 1.00 53.25 C ATOM 181 CG PHE A 13 -10.832 -3.742 -8.253 1.00 33.44 C ATOM 182 CD1 PHE A 13 -9.564 -4.247 -8.497 1.00 62.44 C ATOM 183 CD2 PHE A 13 -11.858 -4.641 -7.984 1.00 62.12 C ATOM 184 CE1 PHE A 13 -9.322 -5.608 -8.473 1.00 25.35 C ATOM 185 CE2 PHE A 13 -11.620 -6.002 -7.957 1.00 13.52 C ATOM 186 CZ PHE A 13 -10.349 -6.486 -8.202 1.00 71.51 C ATOM 0 H PHE A 13 -12.689 -2.386 -6.335 1.00 25.52 H new ATOM 0 HA PHE A 13 -9.879 -1.612 -6.643 1.00 21.20 H new ATOM 0 HB2 PHE A 13 -12.114 -2.090 -8.649 1.00 53.25 H new ATOM 0 HB3 PHE A 13 -10.430 -1.807 -9.041 1.00 53.25 H new ATOM 0 HD1 PHE A 13 -8.753 -3.567 -8.709 1.00 62.44 H new ATOM 0 HD2 PHE A 13 -12.854 -4.271 -7.794 1.00 62.12 H new ATOM 0 HE1 PHE A 13 -8.328 -5.983 -8.667 1.00 25.35 H new ATOM 0 HE2 PHE A 13 -12.427 -6.687 -7.744 1.00 13.52 H new ATOM 0 HZ PHE A 13 -10.161 -7.549 -8.181 1.00 71.51 H new ATOM 196 N ASP A 14 -10.377 0.714 -7.884 1.00 41.25 N ATOM 197 CA ASP A 14 -10.678 2.102 -8.241 1.00 53.13 C ATOM 198 C ASP A 14 -11.447 2.139 -9.584 1.00 75.12 C ATOM 199 O ASP A 14 -11.930 1.100 -10.050 1.00 52.34 O ATOM 200 CB ASP A 14 -9.377 2.965 -8.256 1.00 15.50 C ATOM 201 CG ASP A 14 -8.601 2.962 -9.568 1.00 64.23 C ATOM 202 OD1 ASP A 14 -8.111 1.905 -9.974 1.00 71.23 O ATOM 203 OD2 ASP A 14 -8.523 4.033 -10.208 1.00 40.30 O ATOM 0 H ASP A 14 -9.477 0.371 -8.221 1.00 41.25 H new ATOM 0 HA ASP A 14 -11.325 2.545 -7.484 1.00 53.13 H new ATOM 0 HB2 ASP A 14 -9.642 3.994 -8.013 1.00 15.50 H new ATOM 0 HB3 ASP A 14 -8.718 2.610 -7.464 1.00 15.50 H new ATOM 208 N GLU A 15 -11.581 3.334 -10.175 1.00 13.40 N ATOM 209 CA GLU A 15 -12.201 3.522 -11.496 1.00 71.05 C ATOM 210 C GLU A 15 -11.508 2.686 -12.596 1.00 61.55 C ATOM 211 O GLU A 15 -12.165 2.160 -13.492 1.00 65.45 O ATOM 212 CB GLU A 15 -12.154 5.008 -11.846 1.00 35.34 C ATOM 213 CG GLU A 15 -12.820 5.366 -13.165 1.00 61.24 C ATOM 214 CD GLU A 15 -12.640 6.819 -13.514 1.00 5.43 C ATOM 215 OE1 GLU A 15 -11.494 7.235 -13.750 1.00 12.11 O ATOM 216 OE2 GLU A 15 -13.642 7.556 -13.526 1.00 3.31 O ATOM 0 H GLU A 15 -11.261 4.203 -9.748 1.00 13.40 H new ATOM 0 HA GLU A 15 -13.233 3.173 -11.447 1.00 71.05 H new ATOM 0 HB2 GLU A 15 -12.634 5.572 -11.046 1.00 35.34 H new ATOM 0 HB3 GLU A 15 -11.112 5.327 -11.881 1.00 35.34 H new ATOM 0 HG2 GLU A 15 -12.403 4.748 -13.960 1.00 61.24 H new ATOM 0 HG3 GLU A 15 -13.884 5.137 -13.107 1.00 61.24 H new ATOM 223 N SER A 16 -10.190 2.530 -12.485 1.00 41.12 N ATOM 224 CA SER A 16 -9.408 1.796 -13.472 1.00 21.43 C ATOM 225 C SER A 16 -9.167 0.328 -13.058 1.00 44.54 C ATOM 226 O SER A 16 -8.447 -0.421 -13.749 1.00 63.43 O ATOM 227 CB SER A 16 -8.090 2.522 -13.687 1.00 3.43 C ATOM 228 OG SER A 16 -7.324 1.923 -14.701 1.00 23.02 O ATOM 0 H SER A 16 -9.639 2.907 -11.713 1.00 41.12 H new ATOM 0 HA SER A 16 -9.972 1.761 -14.404 1.00 21.43 H new ATOM 0 HB2 SER A 16 -8.286 3.562 -13.946 1.00 3.43 H new ATOM 0 HB3 SER A 16 -7.522 2.527 -12.757 1.00 3.43 H new ATOM 0 HG SER A 16 -7.467 0.953 -14.689 1.00 23.02 H new ATOM 234 N GLY A 17 -9.764 -0.081 -11.946 1.00 44.32 N ATOM 235 CA GLY A 17 -9.719 -1.469 -11.543 1.00 0.50 C ATOM 236 C GLY A 17 -8.413 -1.833 -10.874 1.00 33.21 C ATOM 237 O GLY A 17 -7.804 -2.840 -11.209 1.00 5.42 O ATOM 0 H GLY A 17 -10.281 0.530 -11.314 1.00 44.32 H new ATOM 0 HA2 GLY A 17 -10.543 -1.673 -10.860 1.00 0.50 H new ATOM 0 HA3 GLY A 17 -9.865 -2.103 -12.417 1.00 0.50 H new ATOM 241 N TRP A 18 -7.965 -0.992 -9.954 1.00 51.12 N ATOM 242 CA TRP A 18 -6.775 -1.276 -9.170 1.00 62.34 C ATOM 243 C TRP A 18 -7.104 -1.333 -7.687 1.00 74.04 C ATOM 244 O TRP A 18 -7.587 -0.366 -7.097 1.00 30.15 O ATOM 245 CB TRP A 18 -5.670 -0.251 -9.446 1.00 55.13 C ATOM 246 CG TRP A 18 -5.069 -0.396 -10.813 1.00 15.41 C ATOM 247 CD1 TRP A 18 -5.359 0.334 -11.929 1.00 4.21 C ATOM 248 CD2 TRP A 18 -4.083 -1.347 -11.206 1.00 54.21 C ATOM 249 NE1 TRP A 18 -4.608 -0.116 -12.986 1.00 32.30 N ATOM 250 CE2 TRP A 18 -3.819 -1.139 -12.563 1.00 22.42 C ATOM 251 CE3 TRP A 18 -3.387 -2.348 -10.540 1.00 55.23 C ATOM 252 CZ2 TRP A 18 -2.897 -1.893 -13.263 1.00 12.31 C ATOM 253 CZ3 TRP A 18 -2.474 -3.101 -11.235 1.00 13.42 C ATOM 254 CH2 TRP A 18 -2.236 -2.869 -12.584 1.00 63.14 C ATOM 0 H TRP A 18 -8.412 -0.102 -9.732 1.00 51.12 H new ATOM 0 HA TRP A 18 -6.403 -2.255 -9.473 1.00 62.34 H new ATOM 0 HB2 TRP A 18 -6.078 0.754 -9.339 1.00 55.13 H new ATOM 0 HB3 TRP A 18 -4.886 -0.358 -8.696 1.00 55.13 H new ATOM 0 HD1 TRP A 18 -6.072 1.144 -11.974 1.00 4.21 H new ATOM 0 HE1 TRP A 18 -4.637 0.257 -13.935 1.00 32.30 H new ATOM 0 HE3 TRP A 18 -3.562 -2.531 -9.490 1.00 55.23 H new ATOM 0 HZ2 TRP A 18 -2.708 -1.714 -14.311 1.00 12.31 H new ATOM 0 HZ3 TRP A 18 -1.933 -3.885 -10.726 1.00 13.42 H new ATOM 0 HH2 TRP A 18 -1.511 -3.477 -13.105 1.00 63.14 H new ATOM 265 N LYS A 19 -6.867 -2.502 -7.115 1.00 14.10 N ATOM 266 CA LYS A 19 -7.062 -2.746 -5.700 1.00 62.24 C ATOM 267 C LYS A 19 -5.733 -2.573 -4.992 1.00 44.43 C ATOM 268 O LYS A 19 -4.793 -3.307 -5.266 1.00 24.40 O ATOM 269 CB LYS A 19 -7.626 -4.157 -5.489 1.00 61.21 C ATOM 270 CG LYS A 19 -7.846 -4.540 -4.035 1.00 64.15 C ATOM 271 CD LYS A 19 -8.546 -5.882 -3.897 1.00 11.24 C ATOM 272 CE LYS A 19 -10.022 -5.792 -4.248 1.00 54.44 C ATOM 273 NZ LYS A 19 -10.712 -7.094 -4.061 1.00 43.31 N ATOM 0 H LYS A 19 -6.530 -3.316 -7.629 1.00 14.10 H new ATOM 0 HA LYS A 19 -7.779 -2.037 -5.286 1.00 62.24 H new ATOM 0 HB2 LYS A 19 -8.575 -4.238 -6.020 1.00 61.21 H new ATOM 0 HB3 LYS A 19 -6.945 -4.878 -5.942 1.00 61.21 H new ATOM 0 HG2 LYS A 19 -6.885 -4.578 -3.521 1.00 64.15 H new ATOM 0 HG3 LYS A 19 -8.440 -3.770 -3.543 1.00 64.15 H new ATOM 0 HD2 LYS A 19 -8.063 -6.612 -4.547 1.00 11.24 H new ATOM 0 HD3 LYS A 19 -8.438 -6.244 -2.875 1.00 11.24 H new ATOM 0 HE2 LYS A 19 -10.499 -5.035 -3.625 1.00 54.44 H new ATOM 0 HE3 LYS A 19 -10.131 -5.468 -5.283 1.00 54.44 H new ATOM 0 HZ1 LYS A 19 -11.717 -6.993 -4.310 1.00 43.31 H new ATOM 0 HZ2 LYS A 19 -10.273 -7.811 -4.674 1.00 43.31 H new ATOM 0 HZ3 LYS A 19 -10.630 -7.391 -3.068 1.00 43.31 H new ATOM 287 N ASP A 20 -5.676 -1.610 -4.084 1.00 54.55 N ATOM 288 CA ASP A 20 -4.438 -1.259 -3.389 1.00 12.34 C ATOM 289 C ASP A 20 -3.962 -2.384 -2.492 1.00 43.31 C ATOM 290 O ASP A 20 -4.726 -2.929 -1.708 1.00 12.43 O ATOM 291 CB ASP A 20 -4.654 0.007 -2.548 1.00 45.30 C ATOM 292 CG ASP A 20 -3.566 0.246 -1.505 1.00 34.10 C ATOM 293 OD1 ASP A 20 -2.384 0.199 -1.862 1.00 1.54 O ATOM 294 OD2 ASP A 20 -3.902 0.476 -0.333 1.00 0.11 O ATOM 0 H ASP A 20 -6.481 -1.049 -3.806 1.00 54.55 H new ATOM 0 HA ASP A 20 -3.673 -1.080 -4.144 1.00 12.34 H new ATOM 0 HB2 ASP A 20 -4.703 0.870 -3.213 1.00 45.30 H new ATOM 0 HB3 ASP A 20 -5.618 -0.063 -2.044 1.00 45.30 H new ATOM 299 N THR A 21 -2.695 -2.739 -2.623 1.00 62.12 N ATOM 300 CA THR A 21 -2.113 -3.679 -1.708 1.00 73.13 C ATOM 301 C THR A 21 -0.886 -3.072 -1.054 1.00 72.32 C ATOM 302 O THR A 21 0.002 -2.530 -1.721 1.00 31.23 O ATOM 303 CB THR A 21 -1.775 -5.042 -2.369 1.00 34.13 C ATOM 304 OG1 THR A 21 -0.791 -4.895 -3.388 1.00 31.44 O ATOM 305 CG2 THR A 21 -3.017 -5.674 -2.969 1.00 44.25 C ATOM 0 H THR A 21 -2.065 -2.391 -3.346 1.00 62.12 H new ATOM 0 HA THR A 21 -2.862 -3.892 -0.945 1.00 73.13 H new ATOM 0 HB THR A 21 -1.380 -5.688 -1.585 1.00 34.13 H new ATOM 0 HG1 THR A 21 -0.598 -5.770 -3.785 1.00 31.44 H new ATOM 0 HG21 THR A 21 -2.755 -6.628 -3.426 1.00 44.25 H new ATOM 0 HG22 THR A 21 -3.757 -5.838 -2.185 1.00 44.25 H new ATOM 0 HG23 THR A 21 -3.433 -5.010 -3.727 1.00 44.25 H new ATOM 313 N VAL A 22 -0.837 -3.193 0.255 1.00 25.51 N ATOM 314 CA VAL A 22 0.259 -2.656 1.028 1.00 23.55 C ATOM 315 C VAL A 22 0.967 -3.807 1.709 1.00 31.44 C ATOM 316 O VAL A 22 0.396 -4.525 2.537 1.00 54.14 O ATOM 317 CB VAL A 22 -0.207 -1.578 2.049 1.00 65.40 C ATOM 318 CG1 VAL A 22 0.939 -1.103 2.935 1.00 52.11 C ATOM 319 CG2 VAL A 22 -0.806 -0.377 1.326 1.00 20.23 C ATOM 0 H VAL A 22 -1.552 -3.664 0.810 1.00 25.51 H new ATOM 0 HA VAL A 22 0.950 -2.142 0.360 1.00 23.55 H new ATOM 0 HB VAL A 22 -0.963 -2.045 2.680 1.00 65.40 H new ATOM 0 HG11 VAL A 22 0.571 -0.351 3.633 1.00 52.11 H new ATOM 0 HG12 VAL A 22 1.343 -1.949 3.492 1.00 52.11 H new ATOM 0 HG13 VAL A 22 1.723 -0.669 2.314 1.00 52.11 H new ATOM 0 HG21 VAL A 22 -1.126 0.365 2.057 1.00 20.23 H new ATOM 0 HG22 VAL A 22 -0.057 0.062 0.667 1.00 20.23 H new ATOM 0 HG23 VAL A 22 -1.664 -0.698 0.736 1.00 20.23 H new ATOM 329 N THR A 23 2.202 -3.992 1.301 1.00 23.43 N ATOM 330 CA THR A 23 2.980 -5.135 1.696 1.00 61.31 C ATOM 331 C THR A 23 3.955 -4.745 2.812 1.00 3.14 C ATOM 332 O THR A 23 4.892 -4.000 2.587 1.00 13.30 O ATOM 333 CB THR A 23 3.745 -5.665 0.466 1.00 1.20 C ATOM 334 OG1 THR A 23 2.870 -5.682 -0.673 1.00 42.52 O ATOM 335 CG2 THR A 23 4.268 -7.058 0.701 1.00 63.34 C ATOM 0 H THR A 23 2.694 -3.348 0.682 1.00 23.43 H new ATOM 0 HA THR A 23 2.324 -5.918 2.077 1.00 61.31 H new ATOM 0 HB THR A 23 4.592 -5.003 0.287 1.00 1.20 H new ATOM 0 HG1 THR A 23 3.357 -6.017 -1.455 1.00 42.52 H new ATOM 0 HG21 THR A 23 4.802 -7.401 -0.185 1.00 63.34 H new ATOM 0 HG22 THR A 23 4.947 -7.053 1.554 1.00 63.34 H new ATOM 0 HG23 THR A 23 3.434 -7.730 0.905 1.00 63.34 H new ATOM 343 N ILE A 24 3.715 -5.246 4.012 1.00 72.34 N ATOM 344 CA ILE A 24 4.516 -4.883 5.179 1.00 33.55 C ATOM 345 C ILE A 24 5.437 -6.038 5.542 1.00 60.15 C ATOM 346 O ILE A 24 4.979 -7.098 5.943 1.00 3.54 O ATOM 347 CB ILE A 24 3.603 -4.542 6.392 1.00 30.55 C ATOM 348 CG1 ILE A 24 2.611 -3.425 6.019 1.00 45.12 C ATOM 349 CG2 ILE A 24 4.423 -4.164 7.628 1.00 22.24 C ATOM 350 CD1 ILE A 24 3.231 -2.057 5.799 1.00 33.50 C ATOM 0 H ILE A 24 2.967 -5.911 4.209 1.00 72.34 H new ATOM 0 HA ILE A 24 5.108 -4.001 4.934 1.00 33.55 H new ATOM 0 HB ILE A 24 3.035 -5.437 6.647 1.00 30.55 H new ATOM 0 HG12 ILE A 24 2.084 -3.718 5.111 1.00 45.12 H new ATOM 0 HG13 ILE A 24 1.865 -3.345 6.809 1.00 45.12 H new ATOM 0 HG21 ILE A 24 3.750 -3.933 8.454 1.00 22.24 H new ATOM 0 HG22 ILE A 24 5.067 -4.998 7.907 1.00 22.24 H new ATOM 0 HG23 ILE A 24 5.037 -3.291 7.405 1.00 22.24 H new ATOM 0 HD11 ILE A 24 2.451 -1.341 5.541 1.00 33.50 H new ATOM 0 HD12 ILE A 24 3.733 -1.734 6.711 1.00 33.50 H new ATOM 0 HD13 ILE A 24 3.955 -2.112 4.986 1.00 33.50 H new ATOM 362 N GLU A 25 6.731 -5.826 5.414 1.00 72.21 N ATOM 363 CA GLU A 25 7.691 -6.868 5.721 1.00 21.03 C ATOM 364 C GLU A 25 8.215 -6.713 7.131 1.00 61.01 C ATOM 365 O GLU A 25 8.871 -5.729 7.470 1.00 72.12 O ATOM 366 CB GLU A 25 8.830 -6.862 4.713 1.00 11.35 C ATOM 367 CG GLU A 25 9.957 -7.842 5.017 1.00 12.35 C ATOM 368 CD GLU A 25 10.793 -8.121 3.804 1.00 62.12 C ATOM 369 OE1 GLU A 25 10.218 -8.594 2.820 1.00 62.42 O ATOM 370 OE2 GLU A 25 12.018 -7.864 3.827 1.00 65.11 O ATOM 0 H GLU A 25 7.141 -4.946 5.101 1.00 72.21 H new ATOM 0 HA GLU A 25 7.185 -7.831 5.653 1.00 21.03 H new ATOM 0 HB2 GLU A 25 8.425 -7.090 3.727 1.00 11.35 H new ATOM 0 HB3 GLU A 25 9.246 -5.856 4.662 1.00 11.35 H new ATOM 0 HG2 GLU A 25 10.588 -7.437 5.808 1.00 12.35 H new ATOM 0 HG3 GLU A 25 9.536 -8.775 5.391 1.00 12.35 H new ATOM 377 N VAL A 26 7.899 -7.703 7.939 1.00 71.32 N ATOM 378 CA VAL A 26 8.358 -7.776 9.305 1.00 11.32 C ATOM 379 C VAL A 26 9.467 -8.804 9.392 1.00 62.34 C ATOM 380 O VAL A 26 9.288 -9.959 9.059 1.00 41.24 O ATOM 381 CB VAL A 26 7.200 -8.142 10.268 1.00 20.10 C ATOM 382 CG1 VAL A 26 7.656 -8.239 11.717 1.00 33.43 C ATOM 383 CG2 VAL A 26 6.090 -7.123 10.142 1.00 41.43 C ATOM 0 H VAL A 26 7.309 -8.487 7.660 1.00 71.32 H new ATOM 0 HA VAL A 26 8.735 -6.799 9.608 1.00 11.32 H new ATOM 0 HB VAL A 26 6.836 -9.128 9.980 1.00 20.10 H new ATOM 0 HG11 VAL A 26 6.807 -8.498 12.349 1.00 33.43 H new ATOM 0 HG12 VAL A 26 8.423 -9.009 11.806 1.00 33.43 H new ATOM 0 HG13 VAL A 26 8.066 -7.280 12.034 1.00 33.43 H new ATOM 0 HG21 VAL A 26 5.278 -7.384 10.821 1.00 41.43 H new ATOM 0 HG22 VAL A 26 6.473 -6.135 10.397 1.00 41.43 H new ATOM 0 HG23 VAL A 26 5.718 -7.115 9.117 1.00 41.43 H new ATOM 393 N LYS A 27 10.620 -8.357 9.802 1.00 12.35 N ATOM 394 CA LYS A 27 11.753 -9.217 9.970 1.00 11.24 C ATOM 395 C LYS A 27 12.384 -8.899 11.298 1.00 24.13 C ATOM 396 O LYS A 27 12.650 -7.732 11.575 1.00 44.15 O ATOM 397 CB LYS A 27 12.725 -8.997 8.825 1.00 72.24 C ATOM 398 CG LYS A 27 13.866 -9.992 8.750 1.00 55.45 C ATOM 399 CD LYS A 27 14.561 -9.921 7.408 1.00 32.02 C ATOM 400 CE LYS A 27 13.607 -10.274 6.277 1.00 62.12 C ATOM 401 NZ LYS A 27 14.250 -10.157 4.955 1.00 11.13 N ATOM 0 H LYS A 27 10.800 -7.379 10.030 1.00 12.35 H new ATOM 0 HA LYS A 27 11.458 -10.266 9.958 1.00 11.24 H new ATOM 0 HB2 LYS A 27 12.171 -9.032 7.887 1.00 72.24 H new ATOM 0 HB3 LYS A 27 13.143 -7.994 8.911 1.00 72.24 H new ATOM 0 HG2 LYS A 27 14.583 -9.789 9.546 1.00 55.45 H new ATOM 0 HG3 LYS A 27 13.485 -11.000 8.913 1.00 55.45 H new ATOM 0 HD2 LYS A 27 14.958 -8.918 7.253 1.00 32.02 H new ATOM 0 HD3 LYS A 27 15.410 -10.604 7.398 1.00 32.02 H new ATOM 0 HE2 LYS A 27 13.243 -11.292 6.414 1.00 62.12 H new ATOM 0 HE3 LYS A 27 12.738 -9.617 6.317 1.00 62.12 H new ATOM 0 HZ1 LYS A 27 13.566 -10.406 4.213 1.00 11.13 H new ATOM 0 HZ2 LYS A 27 14.575 -9.179 4.812 1.00 11.13 H new ATOM 0 HZ3 LYS A 27 15.064 -10.803 4.906 1.00 11.13 H new ATOM 415 N ASN A 28 12.581 -9.944 12.116 1.00 72.34 N ATOM 416 CA ASN A 28 13.100 -9.826 13.495 1.00 11.20 C ATOM 417 C ASN A 28 12.106 -9.077 14.403 1.00 53.24 C ATOM 418 O ASN A 28 12.506 -8.375 15.335 1.00 64.05 O ATOM 419 CB ASN A 28 14.473 -9.122 13.529 1.00 54.01 C ATOM 420 CG ASN A 28 15.593 -9.900 12.864 1.00 33.25 C ATOM 421 OD1 ASN A 28 15.878 -9.570 11.612 1.00 14.22 O flip ATOM 422 ND2 ASN A 28 16.230 -10.750 13.482 1.00 61.12 N flip ATOM 0 H ASN A 28 12.384 -10.906 11.840 1.00 72.34 H new ATOM 0 HA ASN A 28 13.225 -10.841 13.873 1.00 11.20 H new ATOM 0 HB2 ASN A 28 14.382 -8.151 13.042 1.00 54.01 H new ATOM 0 HB3 ASN A 28 14.745 -8.933 14.567 1.00 54.01 H new ATOM 0 HD21 ASN A 28 15.979 -10.976 14.445 1.00 61.12 H new ATOM 0 HD22 ASN A 28 17.010 -11.230 13.032 1.00 61.12 H new ATOM 429 N GLY A 29 10.805 -9.249 14.124 1.00 74.45 N ATOM 430 CA GLY A 29 9.754 -8.593 14.898 1.00 71.53 C ATOM 431 C GLY A 29 9.546 -7.111 14.598 1.00 25.44 C ATOM 432 O GLY A 29 8.726 -6.462 15.247 1.00 12.20 O ATOM 0 H GLY A 29 10.461 -9.839 13.366 1.00 74.45 H new ATOM 0 HA2 GLY A 29 8.815 -9.117 14.720 1.00 71.53 H new ATOM 0 HA3 GLY A 29 9.985 -8.703 15.958 1.00 71.53 H new ATOM 436 N LYS A 30 10.266 -6.575 13.622 1.00 55.40 N ATOM 437 CA LYS A 30 10.176 -5.156 13.289 1.00 20.03 C ATOM 438 C LYS A 30 10.020 -4.968 11.784 1.00 30.32 C ATOM 439 O LYS A 30 10.390 -5.839 11.015 1.00 1.10 O ATOM 440 CB LYS A 30 11.421 -4.425 13.805 1.00 23.00 C ATOM 441 CG LYS A 30 12.734 -4.939 13.226 1.00 4.22 C ATOM 442 CD LYS A 30 13.935 -4.278 13.867 1.00 43.43 C ATOM 443 CE LYS A 30 14.069 -4.658 15.334 1.00 22.45 C ATOM 444 NZ LYS A 30 15.237 -3.997 15.967 1.00 5.02 N ATOM 0 H LYS A 30 10.921 -7.101 13.044 1.00 55.40 H new ATOM 0 HA LYS A 30 9.295 -4.732 13.771 1.00 20.03 H new ATOM 0 HB2 LYS A 30 11.327 -3.364 13.575 1.00 23.00 H new ATOM 0 HB3 LYS A 30 11.457 -4.514 14.891 1.00 23.00 H new ATOM 0 HG2 LYS A 30 12.795 -6.018 13.369 1.00 4.22 H new ATOM 0 HG3 LYS A 30 12.752 -4.758 12.151 1.00 4.22 H new ATOM 0 HD2 LYS A 30 14.839 -4.568 13.332 1.00 43.43 H new ATOM 0 HD3 LYS A 30 13.845 -3.195 13.778 1.00 43.43 H new ATOM 0 HE2 LYS A 30 13.160 -4.379 15.867 1.00 22.45 H new ATOM 0 HE3 LYS A 30 14.171 -5.740 15.422 1.00 22.45 H new ATOM 0 HZ1 LYS A 30 15.296 -4.279 16.966 1.00 5.02 H new ATOM 0 HZ2 LYS A 30 16.107 -4.283 15.474 1.00 5.02 H new ATOM 0 HZ3 LYS A 30 15.127 -2.965 15.905 1.00 5.02 H new ATOM 458 N ILE A 31 9.476 -3.834 11.361 1.00 25.42 N ATOM 459 CA ILE A 31 9.289 -3.570 9.936 1.00 73.52 C ATOM 460 C ILE A 31 10.615 -3.132 9.305 1.00 72.40 C ATOM 461 O ILE A 31 11.153 -2.078 9.622 1.00 22.02 O ATOM 462 CB ILE A 31 8.199 -2.492 9.691 1.00 53.12 C ATOM 463 CG1 ILE A 31 6.898 -2.865 10.423 1.00 34.42 C ATOM 464 CG2 ILE A 31 7.940 -2.324 8.196 1.00 33.01 C ATOM 465 CD1 ILE A 31 5.821 -1.795 10.366 1.00 52.24 C ATOM 0 H ILE A 31 9.158 -3.086 11.977 1.00 25.42 H new ATOM 0 HA ILE A 31 8.952 -4.495 9.467 1.00 73.52 H new ATOM 0 HB ILE A 31 8.559 -1.543 10.088 1.00 53.12 H new ATOM 0 HG12 ILE A 31 6.503 -3.785 9.992 1.00 34.42 H new ATOM 0 HG13 ILE A 31 7.130 -3.076 11.467 1.00 34.42 H new ATOM 0 HG21 ILE A 31 7.173 -1.565 8.043 1.00 33.01 H new ATOM 0 HG22 ILE A 31 8.860 -2.016 7.700 1.00 33.01 H new ATOM 0 HG23 ILE A 31 7.601 -3.271 7.777 1.00 33.01 H new ATOM 0 HD11 ILE A 31 4.938 -2.138 10.906 1.00 52.24 H new ATOM 0 HD12 ILE A 31 6.194 -0.879 10.824 1.00 52.24 H new ATOM 0 HD13 ILE A 31 5.557 -1.599 9.327 1.00 52.24 H new ATOM 477 N VAL A 32 11.148 -3.958 8.426 1.00 13.23 N ATOM 478 CA VAL A 32 12.409 -3.638 7.772 1.00 71.20 C ATOM 479 C VAL A 32 12.178 -3.178 6.336 1.00 30.24 C ATOM 480 O VAL A 32 13.033 -2.519 5.738 1.00 41.40 O ATOM 481 CB VAL A 32 13.410 -4.827 7.800 1.00 62.43 C ATOM 482 CG1 VAL A 32 13.731 -5.231 9.231 1.00 51.03 C ATOM 483 CG2 VAL A 32 12.893 -6.025 7.013 1.00 20.42 C ATOM 0 H VAL A 32 10.735 -4.848 8.148 1.00 13.23 H new ATOM 0 HA VAL A 32 12.856 -2.821 8.339 1.00 71.20 H new ATOM 0 HB VAL A 32 14.326 -4.487 7.318 1.00 62.43 H new ATOM 0 HG11 VAL A 32 14.433 -6.065 9.225 1.00 51.03 H new ATOM 0 HG12 VAL A 32 14.176 -4.386 9.757 1.00 51.03 H new ATOM 0 HG13 VAL A 32 12.815 -5.532 9.738 1.00 51.03 H new ATOM 0 HG21 VAL A 32 13.623 -6.833 7.059 1.00 20.42 H new ATOM 0 HG22 VAL A 32 11.950 -6.363 7.443 1.00 20.42 H new ATOM 0 HG23 VAL A 32 12.735 -5.737 5.974 1.00 20.42 H new ATOM 493 N SER A 33 11.006 -3.511 5.798 1.00 54.14 N ATOM 494 CA SER A 33 10.701 -3.254 4.403 1.00 24.22 C ATOM 495 C SER A 33 9.221 -2.975 4.251 1.00 64.03 C ATOM 496 O SER A 33 8.411 -3.382 5.081 1.00 64.52 O ATOM 497 CB SER A 33 11.052 -4.455 3.509 1.00 64.23 C ATOM 498 OG SER A 33 12.380 -4.913 3.698 1.00 2.52 O ATOM 0 H SER A 33 10.252 -3.962 6.316 1.00 54.14 H new ATOM 0 HA SER A 33 11.298 -2.397 4.093 1.00 24.22 H new ATOM 0 HB2 SER A 33 10.359 -5.270 3.716 1.00 64.23 H new ATOM 0 HB3 SER A 33 10.914 -4.177 2.464 1.00 64.23 H new ATOM 0 HG SER A 33 12.380 -5.889 3.789 1.00 2.52 H new ATOM 504 N VAL A 34 8.884 -2.284 3.188 1.00 13.54 N ATOM 505 CA VAL A 34 7.504 -2.093 2.790 1.00 22.03 C ATOM 506 C VAL A 34 7.458 -1.936 1.265 1.00 15.00 C ATOM 507 O VAL A 34 8.321 -1.289 0.659 1.00 34.25 O ATOM 508 CB VAL A 34 6.816 -0.909 3.552 1.00 61.15 C ATOM 509 CG1 VAL A 34 7.572 0.378 3.375 1.00 74.44 C ATOM 510 CG2 VAL A 34 5.364 -0.721 3.133 1.00 31.54 C ATOM 0 H VAL A 34 9.560 -1.835 2.570 1.00 13.54 H new ATOM 0 HA VAL A 34 6.920 -2.969 3.072 1.00 22.03 H new ATOM 0 HB VAL A 34 6.830 -1.178 4.608 1.00 61.15 H new ATOM 0 HG11 VAL A 34 7.065 1.176 3.918 1.00 74.44 H new ATOM 0 HG12 VAL A 34 8.584 0.262 3.763 1.00 74.44 H new ATOM 0 HG13 VAL A 34 7.616 0.631 2.316 1.00 74.44 H new ATOM 0 HG21 VAL A 34 4.930 0.111 3.688 1.00 31.54 H new ATOM 0 HG22 VAL A 34 5.318 -0.508 2.065 1.00 31.54 H new ATOM 0 HG23 VAL A 34 4.803 -1.631 3.346 1.00 31.54 H new ATOM 520 N ASP A 35 6.496 -2.605 0.669 1.00 40.03 N ATOM 521 CA ASP A 35 6.360 -2.675 -0.770 1.00 71.45 C ATOM 522 C ASP A 35 4.988 -2.159 -1.180 1.00 55.30 C ATOM 523 O ASP A 35 3.979 -2.430 -0.524 1.00 53.42 O ATOM 524 CB ASP A 35 6.563 -4.122 -1.233 1.00 42.01 C ATOM 525 CG ASP A 35 6.839 -4.235 -2.716 1.00 21.44 C ATOM 526 OD1 ASP A 35 8.022 -4.145 -3.106 1.00 72.52 O ATOM 527 OD2 ASP A 35 5.884 -4.420 -3.492 1.00 11.21 O ATOM 0 H ASP A 35 5.777 -3.122 1.176 1.00 40.03 H new ATOM 0 HA ASP A 35 7.117 -2.051 -1.244 1.00 71.45 H new ATOM 0 HB2 ASP A 35 7.393 -4.561 -0.680 1.00 42.01 H new ATOM 0 HB3 ASP A 35 5.674 -4.704 -0.989 1.00 42.01 H new ATOM 532 N TRP A 36 4.976 -1.392 -2.249 1.00 63.32 N ATOM 533 CA TRP A 36 3.764 -0.777 -2.761 1.00 4.24 C ATOM 534 C TRP A 36 3.366 -1.430 -4.078 1.00 23.02 C ATOM 535 O TRP A 36 4.188 -1.582 -4.986 1.00 43.14 O ATOM 536 CB TRP A 36 3.938 0.748 -2.903 1.00 53.35 C ATOM 537 CG TRP A 36 5.361 1.212 -3.110 1.00 62.11 C ATOM 538 CD1 TRP A 36 6.245 1.572 -2.133 1.00 22.14 C ATOM 539 CD2 TRP A 36 6.055 1.379 -4.356 1.00 13.34 C ATOM 540 NE1 TRP A 36 7.442 1.927 -2.690 1.00 60.53 N ATOM 541 CE2 TRP A 36 7.352 1.823 -4.049 1.00 21.13 C ATOM 542 CE3 TRP A 36 5.708 1.191 -5.696 1.00 72.10 C ATOM 543 CZ2 TRP A 36 8.303 2.076 -5.033 1.00 1.41 C ATOM 544 CZ3 TRP A 36 6.651 1.448 -6.670 1.00 44.03 C ATOM 545 CH2 TRP A 36 7.933 1.887 -6.333 1.00 0.11 C ATOM 0 H TRP A 36 5.811 -1.174 -2.793 1.00 63.32 H new ATOM 0 HA TRP A 36 2.955 -0.939 -2.048 1.00 4.24 H new ATOM 0 HB2 TRP A 36 3.334 1.091 -3.743 1.00 53.35 H new ATOM 0 HB3 TRP A 36 3.542 1.229 -2.009 1.00 53.35 H new ATOM 0 HD1 TRP A 36 6.030 1.576 -1.075 1.00 22.14 H new ATOM 0 HE1 TRP A 36 8.270 2.222 -2.173 1.00 60.53 H new ATOM 0 HE3 TRP A 36 4.719 0.850 -5.965 1.00 72.10 H new ATOM 0 HZ2 TRP A 36 9.298 2.410 -4.777 1.00 1.41 H new ATOM 0 HZ3 TRP A 36 6.393 1.307 -7.709 1.00 44.03 H new ATOM 0 HH2 TRP A 36 8.648 2.081 -7.119 1.00 0.11 H new ATOM 556 N ASN A 37 2.102 -1.826 -4.162 1.00 73.44 N ATOM 557 CA ASN A 37 1.636 -2.703 -5.233 1.00 24.02 C ATOM 558 C ASN A 37 0.111 -2.569 -5.386 1.00 4.44 C ATOM 559 O ASN A 37 -0.537 -1.959 -4.538 1.00 61.00 O ATOM 560 CB ASN A 37 2.057 -4.135 -4.850 1.00 45.24 C ATOM 561 CG ASN A 37 1.861 -5.187 -5.919 1.00 75.42 C ATOM 562 OD1 ASN A 37 1.642 -6.409 -5.474 1.00 41.12 O flip ATOM 563 ND2 ASN A 37 1.909 -4.912 -7.119 1.00 54.23 N flip ATOM 0 H ASN A 37 1.377 -1.553 -3.499 1.00 73.44 H new ATOM 0 HA ASN A 37 2.072 -2.439 -6.197 1.00 24.02 H new ATOM 0 HB2 ASN A 37 3.110 -4.121 -4.569 1.00 45.24 H new ATOM 0 HB3 ASN A 37 1.495 -4.434 -3.965 1.00 45.24 H new ATOM 0 HD21 ASN A 37 2.081 -3.951 -7.416 1.00 54.23 H new ATOM 0 HD22 ASN A 37 1.776 -5.645 -7.816 1.00 54.23 H new ATOM 570 N ALA A 38 -0.454 -3.109 -6.472 1.00 12.01 N ATOM 571 CA ALA A 38 -1.901 -3.095 -6.691 1.00 74.14 C ATOM 572 C ALA A 38 -2.340 -4.266 -7.574 1.00 54.13 C ATOM 573 O ALA A 38 -1.563 -4.754 -8.373 1.00 54.15 O ATOM 574 CB ALA A 38 -2.318 -1.782 -7.327 1.00 32.10 C ATOM 0 H ALA A 38 0.075 -3.564 -7.216 1.00 12.01 H new ATOM 0 HA ALA A 38 -2.390 -3.199 -5.722 1.00 74.14 H new ATOM 0 HB1 ALA A 38 -3.396 -1.781 -7.486 1.00 32.10 H new ATOM 0 HB2 ALA A 38 -2.048 -0.957 -6.668 1.00 32.10 H new ATOM 0 HB3 ALA A 38 -1.810 -1.664 -8.284 1.00 32.10 H new ATOM 580 N ILE A 39 -3.593 -4.692 -7.433 1.00 43.11 N ATOM 581 CA ILE A 39 -4.152 -5.813 -8.206 1.00 70.21 C ATOM 582 C ILE A 39 -5.077 -5.278 -9.299 1.00 15.20 C ATOM 583 O ILE A 39 -5.919 -4.430 -9.026 1.00 21.25 O ATOM 584 CB ILE A 39 -4.970 -6.777 -7.292 1.00 52.23 C ATOM 585 CG1 ILE A 39 -4.149 -7.168 -6.062 1.00 3.43 C ATOM 586 CG2 ILE A 39 -5.409 -8.031 -8.057 1.00 53.42 C ATOM 587 CD1 ILE A 39 -4.922 -7.970 -5.033 1.00 23.04 C ATOM 0 H ILE A 39 -4.255 -4.273 -6.780 1.00 43.11 H new ATOM 0 HA ILE A 39 -3.319 -6.361 -8.646 1.00 70.21 H new ATOM 0 HB ILE A 39 -5.867 -6.250 -6.967 1.00 52.23 H new ATOM 0 HG12 ILE A 39 -3.284 -7.748 -6.385 1.00 3.43 H new ATOM 0 HG13 ILE A 39 -3.767 -6.263 -5.590 1.00 3.43 H new ATOM 0 HG21 ILE A 39 -5.977 -8.682 -7.393 1.00 53.42 H new ATOM 0 HG22 ILE A 39 -6.034 -7.742 -8.902 1.00 53.42 H new ATOM 0 HG23 ILE A 39 -4.529 -8.562 -8.421 1.00 53.42 H new ATOM 0 HD11 ILE A 39 -4.270 -8.208 -4.192 1.00 23.04 H new ATOM 0 HD12 ILE A 39 -5.772 -7.386 -4.680 1.00 23.04 H new ATOM 0 HD13 ILE A 39 -5.281 -8.894 -5.486 1.00 23.04 H new ATOM 599 N ASN A 40 -4.937 -5.771 -10.526 1.00 43.22 N ATOM 600 CA ASN A 40 -5.802 -5.328 -11.616 1.00 52.41 C ATOM 601 C ASN A 40 -7.014 -6.246 -11.765 1.00 11.31 C ATOM 602 O ASN A 40 -6.914 -7.462 -11.615 1.00 72.53 O ATOM 603 CB ASN A 40 -5.028 -5.208 -12.930 1.00 45.03 C ATOM 604 CG ASN A 40 -5.831 -4.581 -14.059 1.00 12.42 C ATOM 605 OD1 ASN A 40 -6.341 -5.275 -14.924 1.00 61.14 O ATOM 606 ND2 ASN A 40 -5.991 -3.268 -14.026 1.00 22.21 N ATOM 0 H ASN A 40 -4.242 -6.469 -10.789 1.00 43.22 H new ATOM 0 HA ASN A 40 -6.169 -4.333 -11.363 1.00 52.41 H new ATOM 0 HB2 ASN A 40 -4.131 -4.612 -12.760 1.00 45.03 H new ATOM 0 HB3 ASN A 40 -4.698 -6.200 -13.239 1.00 45.03 H new ATOM 0 HD21 ASN A 40 -6.555 -2.805 -14.738 1.00 22.21 H new ATOM 0 HD22 ASN A 40 -5.550 -2.719 -13.288 1.00 22.21 H new ATOM 613 N LYS A 41 -8.152 -5.606 -12.023 1.00 33.03 N ATOM 614 CA LYS A 41 -9.458 -6.242 -12.196 1.00 55.22 C ATOM 615 C LYS A 41 -9.497 -7.206 -13.391 1.00 64.45 C ATOM 616 O LYS A 41 -9.986 -8.333 -13.272 1.00 10.33 O ATOM 617 CB LYS A 41 -10.490 -5.119 -12.376 1.00 31.43 C ATOM 618 CG LYS A 41 -11.931 -5.564 -12.531 1.00 62.52 C ATOM 619 CD LYS A 41 -12.797 -4.404 -12.983 1.00 14.34 C ATOM 620 CE LYS A 41 -14.245 -4.819 -13.191 1.00 74.50 C ATOM 621 NZ LYS A 41 -14.382 -5.868 -14.238 1.00 71.34 N ATOM 0 H LYS A 41 -8.193 -4.592 -12.121 1.00 33.03 H new ATOM 0 HA LYS A 41 -9.679 -6.850 -11.319 1.00 55.22 H new ATOM 0 HB2 LYS A 41 -10.426 -4.452 -11.516 1.00 31.43 H new ATOM 0 HB3 LYS A 41 -10.214 -4.535 -13.254 1.00 31.43 H new ATOM 0 HG2 LYS A 41 -11.992 -6.375 -13.256 1.00 62.52 H new ATOM 0 HG3 LYS A 41 -12.301 -5.955 -11.583 1.00 62.52 H new ATOM 0 HD2 LYS A 41 -12.752 -3.607 -12.240 1.00 14.34 H new ATOM 0 HD3 LYS A 41 -12.400 -3.996 -13.913 1.00 14.34 H new ATOM 0 HE2 LYS A 41 -14.654 -5.190 -12.251 1.00 74.50 H new ATOM 0 HE3 LYS A 41 -14.835 -3.947 -13.473 1.00 74.50 H new ATOM 0 HZ1 LYS A 41 -15.383 -5.964 -14.504 1.00 71.34 H new ATOM 0 HZ2 LYS A 41 -13.826 -5.599 -15.074 1.00 71.34 H new ATOM 0 HZ3 LYS A 41 -14.033 -6.775 -13.868 1.00 71.34 H new ATOM 635 N ASP A 42 -8.965 -6.760 -14.523 1.00 12.15 N ATOM 636 CA ASP A 42 -8.996 -7.537 -15.756 1.00 13.45 C ATOM 637 C ASP A 42 -7.882 -8.587 -15.776 1.00 1.31 C ATOM 638 O ASP A 42 -8.083 -9.707 -16.258 1.00 45.23 O ATOM 639 CB ASP A 42 -8.878 -6.604 -16.966 1.00 73.14 C ATOM 640 CG ASP A 42 -8.978 -7.344 -18.284 1.00 60.23 C ATOM 641 OD1 ASP A 42 -10.088 -7.799 -18.625 1.00 42.31 O ATOM 642 OD2 ASP A 42 -7.944 -7.493 -18.967 1.00 50.23 O ATOM 0 H ASP A 42 -8.503 -5.855 -14.612 1.00 12.15 H new ATOM 0 HA ASP A 42 -9.949 -8.063 -15.806 1.00 13.45 H new ATOM 0 HB2 ASP A 42 -9.663 -5.850 -16.917 1.00 73.14 H new ATOM 0 HB3 ASP A 42 -7.926 -6.076 -16.921 1.00 73.14 H new ATOM 647 N GLY A 43 -6.724 -8.214 -15.229 1.00 11.40 N ATOM 648 CA GLY A 43 -5.564 -9.085 -15.228 1.00 52.55 C ATOM 649 C GLY A 43 -5.700 -10.230 -14.251 1.00 25.23 C ATOM 650 O GLY A 43 -5.497 -11.386 -14.615 1.00 22.21 O ATOM 0 H GLY A 43 -6.572 -7.310 -14.781 1.00 11.40 H new ATOM 0 HA2 GLY A 43 -5.412 -9.484 -16.231 1.00 52.55 H new ATOM 0 HA3 GLY A 43 -4.677 -8.503 -14.979 1.00 52.55 H new ATOM 654 N GLY A 44 -6.045 -9.900 -13.012 1.00 65.01 N ATOM 655 CA GLY A 44 -6.244 -10.911 -11.988 1.00 62.42 C ATOM 656 C GLY A 44 -5.055 -11.055 -11.066 1.00 34.00 C ATOM 657 O GLY A 44 -5.152 -11.688 -10.013 1.00 1.23 O ATOM 0 H GLY A 44 -6.192 -8.942 -12.695 1.00 65.01 H new ATOM 0 HA2 GLY A 44 -7.125 -10.656 -11.399 1.00 62.42 H new ATOM 0 HA3 GLY A 44 -6.446 -11.870 -12.465 1.00 62.42 H new ATOM 661 N ASP A 45 -3.945 -10.447 -11.454 1.00 44.02 N ATOM 662 CA ASP A 45 -2.699 -10.568 -10.717 1.00 5.43 C ATOM 663 C ASP A 45 -2.316 -9.239 -10.106 1.00 61.24 C ATOM 664 O ASP A 45 -2.974 -8.224 -10.335 1.00 32.10 O ATOM 665 CB ASP A 45 -1.552 -11.033 -11.624 1.00 33.23 C ATOM 666 CG ASP A 45 -1.703 -12.453 -12.106 1.00 60.11 C ATOM 667 OD1 ASP A 45 -1.258 -13.377 -11.398 1.00 70.23 O ATOM 668 OD2 ASP A 45 -2.250 -12.652 -13.207 1.00 54.11 O ATOM 0 H ASP A 45 -3.883 -9.859 -12.285 1.00 44.02 H new ATOM 0 HA ASP A 45 -2.860 -11.310 -9.935 1.00 5.43 H new ATOM 0 HB2 ASP A 45 -1.490 -10.370 -12.487 1.00 33.23 H new ATOM 0 HB3 ASP A 45 -0.611 -10.940 -11.082 1.00 33.23 H new ATOM 673 N ASP A 46 -1.217 -9.260 -9.368 1.00 45.32 N ATOM 674 CA ASP A 46 -0.634 -8.058 -8.773 1.00 65.20 C ATOM 675 C ASP A 46 0.236 -7.373 -9.819 1.00 30.34 C ATOM 676 O ASP A 46 0.638 -8.028 -10.768 1.00 4.54 O ATOM 677 CB ASP A 46 0.215 -8.447 -7.564 1.00 41.43 C ATOM 678 CG ASP A 46 -0.584 -9.076 -6.437 1.00 24.41 C ATOM 679 OD1 ASP A 46 -0.888 -10.288 -6.520 1.00 24.02 O ATOM 680 OD2 ASP A 46 -0.891 -8.370 -5.455 1.00 22.34 O ATOM 0 H ASP A 46 -0.698 -10.114 -9.161 1.00 45.32 H new ATOM 0 HA ASP A 46 -1.422 -7.380 -8.446 1.00 65.20 H new ATOM 0 HB2 ASP A 46 0.989 -9.145 -7.883 1.00 41.43 H new ATOM 0 HB3 ASP A 46 0.723 -7.559 -7.187 1.00 41.43 H new ATOM 685 N LYS A 47 0.547 -6.078 -9.645 1.00 55.42 N ATOM 686 CA LYS A 47 1.225 -5.279 -10.689 1.00 32.25 C ATOM 687 C LYS A 47 2.613 -5.835 -11.053 1.00 44.20 C ATOM 688 O LYS A 47 2.990 -5.827 -12.224 1.00 41.15 O ATOM 689 CB LYS A 47 1.334 -3.802 -10.275 1.00 22.44 C ATOM 690 CG LYS A 47 1.954 -2.914 -11.358 1.00 74.30 C ATOM 691 CD LYS A 47 2.019 -1.452 -10.963 1.00 3.30 C ATOM 692 CE LYS A 47 0.651 -0.798 -10.974 1.00 42.23 C ATOM 693 NZ LYS A 47 0.767 0.672 -11.104 1.00 11.32 N ATOM 0 H LYS A 47 0.341 -5.558 -8.792 1.00 55.42 H new ATOM 0 HA LYS A 47 0.603 -5.350 -11.581 1.00 32.25 H new ATOM 0 HB2 LYS A 47 0.340 -3.426 -10.031 1.00 22.44 H new ATOM 0 HB3 LYS A 47 1.934 -3.729 -9.368 1.00 22.44 H new ATOM 0 HG2 LYS A 47 2.960 -3.270 -11.579 1.00 74.30 H new ATOM 0 HG3 LYS A 47 1.373 -3.011 -12.275 1.00 74.30 H new ATOM 0 HD2 LYS A 47 2.454 -1.365 -9.968 1.00 3.30 H new ATOM 0 HD3 LYS A 47 2.680 -0.921 -11.648 1.00 3.30 H new ATOM 0 HE2 LYS A 47 0.061 -1.194 -11.800 1.00 42.23 H new ATOM 0 HE3 LYS A 47 0.119 -1.045 -10.055 1.00 42.23 H new ATOM 0 HZ1 LYS A 47 -0.129 1.061 -11.461 1.00 11.32 H new ATOM 0 HZ2 LYS A 47 0.979 1.087 -10.174 1.00 11.32 H new ATOM 0 HZ3 LYS A 47 1.533 0.902 -11.769 1.00 11.32 H new ATOM 707 N ASP A 48 3.331 -6.352 -10.052 1.00 2.33 N ATOM 708 CA ASP A 48 4.631 -7.011 -10.257 1.00 65.13 C ATOM 709 C ASP A 48 4.504 -8.243 -11.181 1.00 13.44 C ATOM 710 O ASP A 48 5.309 -8.430 -12.098 1.00 64.04 O ATOM 711 CB ASP A 48 5.220 -7.405 -8.888 1.00 1.13 C ATOM 712 CG ASP A 48 6.576 -8.074 -8.988 1.00 4.45 C ATOM 713 OD1 ASP A 48 7.589 -7.357 -9.082 1.00 15.01 O ATOM 714 OD2 ASP A 48 6.635 -9.318 -8.975 1.00 71.55 O ATOM 0 H ASP A 48 3.031 -6.327 -9.077 1.00 2.33 H new ATOM 0 HA ASP A 48 5.305 -6.312 -10.753 1.00 65.13 H new ATOM 0 HB2 ASP A 48 5.308 -6.513 -8.268 1.00 1.13 H new ATOM 0 HB3 ASP A 48 4.527 -8.078 -8.382 1.00 1.13 H new ATOM 719 N THR A 49 3.459 -9.040 -10.956 1.00 13.20 N ATOM 720 CA THR A 49 3.187 -10.238 -11.749 1.00 70.43 C ATOM 721 C THR A 49 2.603 -9.885 -13.138 1.00 12.12 C ATOM 722 O THR A 49 2.858 -10.579 -14.117 1.00 70.23 O ATOM 723 CB THR A 49 2.206 -11.167 -10.998 1.00 53.32 C ATOM 724 OG1 THR A 49 2.525 -11.172 -9.599 1.00 12.55 O ATOM 725 CG2 THR A 49 2.289 -12.594 -11.523 1.00 3.04 C ATOM 0 H THR A 49 2.776 -8.872 -10.217 1.00 13.20 H new ATOM 0 HA THR A 49 4.137 -10.751 -11.899 1.00 70.43 H new ATOM 0 HB THR A 49 1.196 -10.791 -11.158 1.00 53.32 H new ATOM 0 HG1 THR A 49 1.902 -11.760 -9.123 1.00 12.55 H new ATOM 0 HG21 THR A 49 1.588 -13.224 -10.976 1.00 3.04 H new ATOM 0 HG22 THR A 49 2.037 -12.607 -12.583 1.00 3.04 H new ATOM 0 HG23 THR A 49 3.301 -12.974 -11.386 1.00 3.04 H new ATOM 733 N LEU A 50 1.840 -8.789 -13.204 1.00 52.51 N ATOM 734 CA LEU A 50 1.240 -8.291 -14.454 1.00 62.42 C ATOM 735 C LEU A 50 2.298 -7.815 -15.442 1.00 53.34 C ATOM 736 O LEU A 50 2.120 -7.937 -16.643 1.00 15.43 O ATOM 737 CB LEU A 50 0.261 -7.151 -14.167 1.00 34.03 C ATOM 738 CG LEU A 50 -0.988 -7.539 -13.387 1.00 50.12 C ATOM 739 CD1 LEU A 50 -1.697 -6.298 -12.934 1.00 33.42 C ATOM 740 CD2 LEU A 50 -1.923 -8.390 -14.227 1.00 22.24 C ATOM 0 H LEU A 50 1.618 -8.217 -12.389 1.00 52.51 H new ATOM 0 HA LEU A 50 0.704 -9.127 -14.904 1.00 62.42 H new ATOM 0 HB2 LEU A 50 0.788 -6.374 -13.612 1.00 34.03 H new ATOM 0 HB3 LEU A 50 -0.047 -6.712 -15.116 1.00 34.03 H new ATOM 0 HG LEU A 50 -0.684 -8.130 -12.523 1.00 50.12 H new ATOM 0 HD11 LEU A 50 -2.592 -6.573 -12.375 1.00 33.42 H new ATOM 0 HD12 LEU A 50 -1.035 -5.714 -12.294 1.00 33.42 H new ATOM 0 HD13 LEU A 50 -1.980 -5.703 -13.802 1.00 33.42 H new ATOM 0 HD21 LEU A 50 -2.804 -8.650 -13.640 1.00 22.24 H new ATOM 0 HD22 LEU A 50 -2.228 -7.831 -15.112 1.00 22.24 H new ATOM 0 HD23 LEU A 50 -1.409 -9.301 -14.533 1.00 22.24 H new ATOM 752 N SER A 51 3.392 -7.268 -14.920 1.00 54.41 N ATOM 753 CA SER A 51 4.528 -6.849 -15.740 1.00 4.23 C ATOM 754 C SER A 51 5.264 -8.053 -16.355 1.00 52.14 C ATOM 755 O SER A 51 5.845 -7.948 -17.435 1.00 0.42 O ATOM 756 CB SER A 51 5.488 -6.026 -14.890 1.00 61.41 C ATOM 757 OG SER A 51 4.806 -4.947 -14.281 1.00 3.33 O ATOM 0 H SER A 51 3.517 -7.103 -13.921 1.00 54.41 H new ATOM 0 HA SER A 51 4.149 -6.244 -16.563 1.00 4.23 H new ATOM 0 HB2 SER A 51 5.939 -6.658 -14.125 1.00 61.41 H new ATOM 0 HB3 SER A 51 6.300 -5.647 -15.511 1.00 61.41 H new ATOM 0 HG SER A 51 4.224 -5.287 -13.570 1.00 3.33 H new ATOM 763 N ARG A 52 5.205 -9.194 -15.655 1.00 44.13 N ATOM 764 CA ARG A 52 5.860 -10.428 -16.079 1.00 42.31 C ATOM 765 C ARG A 52 5.063 -11.130 -17.195 1.00 31.14 C ATOM 766 O ARG A 52 5.649 -11.691 -18.116 1.00 2.32 O ATOM 767 CB ARG A 52 6.027 -11.346 -14.852 1.00 54.54 C ATOM 768 CG ARG A 52 6.838 -12.618 -15.085 1.00 64.31 C ATOM 769 CD ARG A 52 8.275 -12.313 -15.474 1.00 12.44 C ATOM 770 NE ARG A 52 9.126 -13.499 -15.395 1.00 12.14 N ATOM 771 CZ ARG A 52 10.310 -13.633 -15.991 1.00 33.40 C ATOM 772 NH1 ARG A 52 10.791 -12.682 -16.784 1.00 31.15 N ATOM 773 NH2 ARG A 52 11.014 -14.736 -15.788 1.00 22.14 N ATOM 0 H ARG A 52 4.697 -9.282 -14.775 1.00 44.13 H new ATOM 0 HA ARG A 52 6.840 -10.193 -16.493 1.00 42.31 H new ATOM 0 HB2 ARG A 52 6.503 -10.774 -14.055 1.00 54.54 H new ATOM 0 HB3 ARG A 52 5.037 -11.628 -14.495 1.00 54.54 H new ATOM 0 HG2 ARG A 52 6.828 -13.225 -14.180 1.00 64.31 H new ATOM 0 HG3 ARG A 52 6.367 -13.209 -15.870 1.00 64.31 H new ATOM 0 HD2 ARG A 52 8.300 -11.916 -16.489 1.00 12.44 H new ATOM 0 HD3 ARG A 52 8.672 -11.538 -14.818 1.00 12.44 H new ATOM 0 HE ARG A 52 8.787 -14.285 -14.840 1.00 12.14 H new ATOM 0 HH11 ARG A 52 10.252 -11.831 -16.945 1.00 31.15 H new ATOM 0 HH12 ARG A 52 11.700 -12.802 -17.232 1.00 31.15 H new ATOM 0 HH21 ARG A 52 10.648 -15.470 -15.182 1.00 22.14 H new ATOM 0 HH22 ARG A 52 11.922 -14.852 -16.238 1.00 22.14 H new ATOM 787 N ASN A 53 3.730 -11.078 -17.119 1.00 73.14 N ATOM 788 CA ASN A 53 2.880 -11.766 -18.098 1.00 44.14 C ATOM 789 C ASN A 53 2.501 -10.864 -19.273 1.00 2.13 C ATOM 790 O ASN A 53 2.289 -11.340 -20.389 1.00 61.14 O ATOM 791 CB ASN A 53 1.607 -12.304 -17.435 1.00 63.24 C ATOM 792 CG ASN A 53 1.877 -13.428 -16.451 1.00 61.41 C ATOM 793 OD1 ASN A 53 1.987 -14.589 -16.833 1.00 41.30 O ATOM 794 ND2 ASN A 53 1.951 -13.100 -15.175 1.00 42.00 N ATOM 0 H ASN A 53 3.218 -10.571 -16.396 1.00 73.14 H new ATOM 0 HA ASN A 53 3.467 -12.598 -18.487 1.00 44.14 H new ATOM 0 HB2 ASN A 53 1.102 -11.489 -16.917 1.00 63.24 H new ATOM 0 HB3 ASN A 53 0.926 -12.661 -18.207 1.00 63.24 H new ATOM 0 HD21 ASN A 53 2.104 -13.822 -14.471 1.00 42.00 H new ATOM 0 HD22 ASN A 53 1.855 -12.125 -14.893 1.00 42.00 H new ATOM 801 N GLY A 54 2.415 -9.569 -19.007 1.00 1.24 N ATOM 802 CA GLY A 54 2.023 -8.606 -20.022 1.00 24.54 C ATOM 803 C GLY A 54 0.567 -8.191 -19.886 1.00 14.24 C ATOM 804 O GLY A 54 -0.052 -7.739 -20.851 1.00 5.44 O ATOM 0 H GLY A 54 2.612 -9.161 -18.093 1.00 1.24 H new ATOM 0 HA2 GLY A 54 2.659 -7.724 -19.949 1.00 24.54 H new ATOM 0 HA3 GLY A 54 2.186 -9.035 -21.010 1.00 24.54 H new ATOM 808 N GLY A 55 0.032 -8.322 -18.673 1.00 62.10 N ATOM 809 CA GLY A 55 -1.356 -7.992 -18.420 1.00 23.11 C ATOM 810 C GLY A 55 -1.524 -6.715 -17.623 1.00 20.13 C ATOM 811 O GLY A 55 -2.536 -6.540 -16.942 1.00 0.31 O ATOM 0 H GLY A 55 0.544 -8.654 -17.856 1.00 62.10 H new ATOM 0 HA2 GLY A 55 -1.879 -7.892 -19.371 1.00 23.11 H new ATOM 0 HA3 GLY A 55 -1.827 -8.814 -17.882 1.00 23.11 H new ATOM 815 N TYR A 56 -0.538 -5.816 -17.715 1.00 52.53 N ATOM 816 CA TYR A 56 -0.600 -4.515 -17.047 1.00 32.15 C ATOM 817 C TYR A 56 -1.389 -3.526 -17.922 1.00 12.05 C ATOM 818 O TYR A 56 -0.828 -2.672 -18.612 1.00 64.42 O ATOM 819 CB TYR A 56 0.836 -4.019 -16.716 1.00 4.15 C ATOM 820 CG TYR A 56 0.954 -2.651 -16.040 1.00 52.13 C ATOM 821 CD1 TYR A 56 -0.003 -2.184 -15.150 1.00 2.15 C ATOM 822 CD2 TYR A 56 2.040 -1.830 -16.311 1.00 51.40 C ATOM 823 CE1 TYR A 56 0.117 -0.943 -14.552 1.00 74.13 C ATOM 824 CE2 TYR A 56 2.171 -0.588 -15.712 1.00 0.44 C ATOM 825 CZ TYR A 56 1.205 -0.147 -14.835 1.00 34.03 C ATOM 826 OH TYR A 56 1.342 1.079 -14.220 1.00 63.01 O ATOM 0 H TYR A 56 0.317 -5.969 -18.250 1.00 52.53 H new ATOM 0 HA TYR A 56 -1.129 -4.600 -16.098 1.00 32.15 H new ATOM 0 HB2 TYR A 56 1.311 -4.759 -16.071 1.00 4.15 H new ATOM 0 HB3 TYR A 56 1.408 -3.990 -17.643 1.00 4.15 H new ATOM 0 HD1 TYR A 56 -0.858 -2.802 -14.920 1.00 2.15 H new ATOM 0 HD2 TYR A 56 2.798 -2.166 -17.003 1.00 51.40 H new ATOM 0 HE1 TYR A 56 -0.641 -0.598 -13.864 1.00 74.13 H new ATOM 0 HE2 TYR A 56 3.027 0.032 -15.932 1.00 0.44 H new ATOM 0 HH TYR A 56 2.165 1.511 -14.531 1.00 63.01 H new ATOM 836 N LYS A 57 -2.701 -3.720 -17.943 1.00 60.30 N ATOM 837 CA LYS A 57 -3.601 -2.838 -18.654 1.00 5.24 C ATOM 838 C LYS A 57 -4.549 -2.198 -17.667 1.00 32.31 C ATOM 839 O LYS A 57 -5.333 -2.889 -17.009 1.00 55.51 O ATOM 840 CB LYS A 57 -4.433 -3.594 -19.702 1.00 24.00 C ATOM 841 CG LYS A 57 -3.644 -4.511 -20.637 1.00 5.13 C ATOM 842 CD LYS A 57 -4.537 -5.125 -21.720 1.00 4.54 C ATOM 843 CE LYS A 57 -5.767 -5.840 -21.149 1.00 41.21 C ATOM 844 NZ LYS A 57 -5.409 -6.990 -20.274 1.00 44.32 N ATOM 0 H LYS A 57 -3.165 -4.493 -17.467 1.00 60.30 H new ATOM 0 HA LYS A 57 -2.997 -2.089 -19.165 1.00 5.24 H new ATOM 0 HB2 LYS A 57 -5.182 -4.192 -19.183 1.00 24.00 H new ATOM 0 HB3 LYS A 57 -4.971 -2.865 -20.307 1.00 24.00 H new ATOM 0 HG2 LYS A 57 -2.840 -3.945 -21.107 1.00 5.13 H new ATOM 0 HG3 LYS A 57 -3.177 -5.307 -20.057 1.00 5.13 H new ATOM 0 HD2 LYS A 57 -4.864 -4.340 -22.401 1.00 4.54 H new ATOM 0 HD3 LYS A 57 -3.952 -5.833 -22.307 1.00 4.54 H new ATOM 0 HE2 LYS A 57 -6.364 -5.128 -20.580 1.00 41.21 H new ATOM 0 HE3 LYS A 57 -6.390 -6.194 -21.970 1.00 41.21 H new ATOM 0 HZ1 LYS A 57 -6.263 -7.341 -19.796 1.00 44.32 H new ATOM 0 HZ2 LYS A 57 -4.998 -7.751 -20.852 1.00 44.32 H new ATOM 0 HZ3 LYS A 57 -4.716 -6.682 -19.563 1.00 44.32 H new ATOM 858 N MET A 58 -4.444 -0.893 -17.548 1.00 11.31 N ATOM 859 CA MET A 58 -5.386 -0.107 -16.769 1.00 12.41 C ATOM 860 C MET A 58 -6.704 -0.057 -17.534 1.00 73.22 C ATOM 861 O MET A 58 -6.712 0.354 -18.690 1.00 73.23 O ATOM 862 CB MET A 58 -4.852 1.324 -16.536 1.00 34.13 C ATOM 863 CG MET A 58 -3.550 1.410 -15.729 1.00 43.44 C ATOM 864 SD MET A 58 -2.064 0.939 -16.643 1.00 52.03 S ATOM 865 CE MET A 58 -1.926 2.298 -17.796 1.00 1.23 C ATOM 0 H MET A 58 -3.705 -0.343 -17.987 1.00 11.31 H new ATOM 0 HA MET A 58 -5.529 -0.568 -15.792 1.00 12.41 H new ATOM 0 HB2 MET A 58 -4.693 1.798 -17.505 1.00 34.13 H new ATOM 0 HB3 MET A 58 -5.619 1.902 -16.021 1.00 34.13 H new ATOM 0 HG2 MET A 58 -3.429 2.431 -15.367 1.00 43.44 H new ATOM 0 HG3 MET A 58 -3.639 0.769 -14.852 1.00 43.44 H new ATOM 0 HE1 MET A 58 -0.920 2.318 -18.216 1.00 1.23 H new ATOM 0 HE2 MET A 58 -2.652 2.169 -18.599 1.00 1.23 H new ATOM 0 HE3 MET A 58 -2.122 3.237 -17.277 1.00 1.23 H new ATOM 875 N VAL A 59 -7.821 -0.473 -16.909 1.00 64.22 N ATOM 876 CA VAL A 59 -9.093 -0.613 -17.649 1.00 64.11 C ATOM 877 C VAL A 59 -9.742 0.757 -17.920 1.00 13.40 C ATOM 878 O VAL A 59 -10.699 0.864 -18.688 1.00 53.54 O ATOM 879 CB VAL A 59 -10.119 -1.596 -16.977 1.00 35.13 C ATOM 880 CG1 VAL A 59 -9.435 -2.871 -16.498 1.00 11.44 C ATOM 881 CG2 VAL A 59 -10.916 -0.963 -15.839 1.00 42.12 C ATOM 0 H VAL A 59 -7.872 -0.713 -15.919 1.00 64.22 H new ATOM 0 HA VAL A 59 -8.822 -1.068 -18.602 1.00 64.11 H new ATOM 0 HB VAL A 59 -10.836 -1.848 -17.759 1.00 35.13 H new ATOM 0 HG11 VAL A 59 -10.173 -3.529 -16.038 1.00 11.44 H new ATOM 0 HG12 VAL A 59 -8.975 -3.378 -17.346 1.00 11.44 H new ATOM 0 HG13 VAL A 59 -8.667 -2.619 -15.766 1.00 11.44 H new ATOM 0 HG21 VAL A 59 -11.604 -1.699 -15.423 1.00 42.12 H new ATOM 0 HG22 VAL A 59 -10.232 -0.624 -15.061 1.00 42.12 H new ATOM 0 HG23 VAL A 59 -11.482 -0.113 -16.220 1.00 42.12 H new ATOM 891 N GLU A 60 -9.185 1.793 -17.299 1.00 20.21 N ATOM 892 CA GLU A 60 -9.555 3.154 -17.586 1.00 64.10 C ATOM 893 C GLU A 60 -8.283 3.964 -17.766 1.00 64.32 C ATOM 894 O GLU A 60 -7.571 4.254 -16.799 1.00 34.24 O ATOM 895 CB GLU A 60 -10.444 3.745 -16.475 1.00 20.41 C ATOM 896 CG GLU A 60 -10.935 5.164 -16.750 1.00 32.13 C ATOM 897 CD GLU A 60 -11.784 5.263 -18.000 1.00 4.13 C ATOM 898 OE1 GLU A 60 -11.226 5.492 -19.092 1.00 3.33 O ATOM 899 OE2 GLU A 60 -13.013 5.111 -17.902 1.00 51.23 O ATOM 0 H GLU A 60 -8.464 1.700 -16.583 1.00 20.21 H new ATOM 0 HA GLU A 60 -10.146 3.187 -18.501 1.00 64.10 H new ATOM 0 HB2 GLU A 60 -11.308 3.095 -16.333 1.00 20.41 H new ATOM 0 HB3 GLU A 60 -9.886 3.742 -15.539 1.00 20.41 H new ATOM 0 HG2 GLU A 60 -11.514 5.515 -15.895 1.00 32.13 H new ATOM 0 HG3 GLU A 60 -10.076 5.828 -16.847 1.00 32.13 H new ATOM 978 N GLU A 67 -3.023 4.736 -7.502 1.00 41.42 N ATOM 979 CA GLU A 67 -1.839 3.901 -7.644 1.00 74.41 C ATOM 980 C GLU A 67 -0.630 4.521 -6.973 1.00 20.45 C ATOM 981 O GLU A 67 -0.444 5.743 -6.970 1.00 4.25 O ATOM 982 CB GLU A 67 -1.483 3.662 -9.104 1.00 5.32 C ATOM 983 CG GLU A 67 -2.502 2.871 -9.896 1.00 34.04 C ATOM 984 CD GLU A 67 -1.991 2.575 -11.286 1.00 11.23 C ATOM 985 OE1 GLU A 67 -1.589 3.527 -11.985 1.00 1.12 O ATOM 986 OE2 GLU A 67 -1.944 1.393 -11.668 1.00 31.25 O ATOM 0 HA GLU A 67 -2.089 2.955 -7.164 1.00 74.41 H new ATOM 0 HB2 GLU A 67 -1.340 4.628 -9.589 1.00 5.32 H new ATOM 0 HB3 GLU A 67 -0.528 3.139 -9.147 1.00 5.32 H new ATOM 0 HG2 GLU A 67 -2.725 1.937 -9.380 1.00 34.04 H new ATOM 0 HG3 GLU A 67 -3.435 3.431 -9.959 1.00 34.04 H new ATOM 993 N TRP A 68 0.189 3.649 -6.411 1.00 23.15 N ATOM 994 CA TRP A 68 1.495 3.998 -5.891 1.00 70.12 C ATOM 995 C TRP A 68 2.544 3.964 -7.003 1.00 70.05 C ATOM 996 O TRP A 68 3.431 3.114 -7.015 1.00 63.03 O ATOM 997 CB TRP A 68 1.848 3.014 -4.775 1.00 61.42 C ATOM 998 CG TRP A 68 0.833 3.007 -3.682 1.00 31.21 C ATOM 999 CD1 TRP A 68 0.043 1.969 -3.307 1.00 41.53 C ATOM 1000 CD2 TRP A 68 0.465 4.114 -2.852 1.00 30.22 C ATOM 1001 NE1 TRP A 68 -0.777 2.359 -2.289 1.00 60.22 N ATOM 1002 CE2 TRP A 68 -0.546 3.666 -1.994 1.00 53.35 C ATOM 1003 CE3 TRP A 68 0.896 5.437 -2.748 1.00 52.04 C ATOM 1004 CZ2 TRP A 68 -1.140 4.494 -1.053 1.00 51.15 C ATOM 1005 CZ3 TRP A 68 0.311 6.253 -1.814 1.00 62.54 C ATOM 1006 CH2 TRP A 68 -0.697 5.782 -0.976 1.00 72.42 C ATOM 0 H TRP A 68 -0.041 2.661 -6.302 1.00 23.15 H new ATOM 0 HA TRP A 68 1.478 5.012 -5.492 1.00 70.12 H new ATOM 0 HB2 TRP A 68 1.935 2.011 -5.193 1.00 61.42 H new ATOM 0 HB3 TRP A 68 2.822 3.273 -4.361 1.00 61.42 H new ATOM 0 HD1 TRP A 68 0.061 0.983 -3.748 1.00 41.53 H new ATOM 0 HE1 TRP A 68 -1.459 1.762 -1.821 1.00 60.22 H new ATOM 0 HE3 TRP A 68 1.677 5.812 -3.392 1.00 52.04 H new ATOM 0 HZ2 TRP A 68 -1.925 4.132 -0.405 1.00 51.15 H new ATOM 0 HZ3 TRP A 68 0.638 7.279 -1.727 1.00 62.54 H new ATOM 0 HH2 TRP A 68 -1.137 6.450 -0.250 1.00 72.42 H new ATOM 1017 N HIS A 69 2.432 4.900 -7.940 1.00 72.42 N ATOM 1018 CA HIS A 69 3.216 4.864 -9.170 1.00 30.44 C ATOM 1019 C HIS A 69 4.612 5.479 -8.982 1.00 54.22 C ATOM 1020 O HIS A 69 5.561 5.051 -9.633 1.00 71.54 O ATOM 1021 CB HIS A 69 2.429 5.583 -10.284 1.00 43.10 C ATOM 1022 CG HIS A 69 3.021 5.459 -11.660 1.00 3.34 C ATOM 1023 ND1 HIS A 69 3.610 6.515 -12.313 1.00 61.31 N ATOM 1024 CD2 HIS A 69 3.109 4.401 -12.501 1.00 72.20 C ATOM 1025 CE1 HIS A 69 4.033 6.118 -13.496 1.00 72.51 C ATOM 1026 NE2 HIS A 69 3.745 4.840 -13.638 1.00 40.10 N ATOM 0 H HIS A 69 1.801 5.698 -7.870 1.00 72.42 H new ATOM 0 HA HIS A 69 3.379 3.824 -9.453 1.00 30.44 H new ATOM 0 HB2 HIS A 69 1.414 5.187 -10.304 1.00 43.10 H new ATOM 0 HB3 HIS A 69 2.354 6.641 -10.031 1.00 43.10 H new ATOM 0 HD2 HIS A 69 2.748 3.401 -12.314 1.00 72.20 H new ATOM 0 HE1 HIS A 69 4.532 6.737 -14.227 1.00 72.51 H new ATOM 0 HE2 HIS A 69 3.959 4.270 -14.457 1.00 40.10 H new ATOM 1035 N GLU A 70 4.729 6.469 -8.095 1.00 54.42 N ATOM 1036 CA GLU A 70 5.982 7.208 -7.920 1.00 10.41 C ATOM 1037 C GLU A 70 6.060 7.837 -6.525 1.00 51.11 C ATOM 1038 O GLU A 70 7.090 7.783 -5.860 1.00 74.10 O ATOM 1039 CB GLU A 70 6.057 8.299 -8.988 1.00 2.10 C ATOM 1040 CG GLU A 70 7.335 9.123 -8.983 1.00 13.24 C ATOM 1041 CD GLU A 70 7.274 10.285 -9.950 1.00 34.43 C ATOM 1042 OE1 GLU A 70 6.256 10.417 -10.670 1.00 4.13 O ATOM 1043 OE2 GLU A 70 8.230 11.081 -9.981 1.00 54.11 O ATOM 0 H GLU A 70 3.971 6.778 -7.486 1.00 54.42 H new ATOM 0 HA GLU A 70 6.821 6.520 -8.023 1.00 10.41 H new ATOM 0 HB2 GLU A 70 5.947 7.834 -9.968 1.00 2.10 H new ATOM 0 HB3 GLU A 70 5.209 8.972 -8.858 1.00 2.10 H new ATOM 0 HG2 GLU A 70 7.517 9.500 -7.977 1.00 13.24 H new ATOM 0 HG3 GLU A 70 8.178 8.483 -9.241 1.00 13.24 H new ATOM 1050 N GLN A 71 4.930 8.389 -6.087 1.00 13.41 N ATOM 1051 CA GLN A 71 4.819 9.179 -4.849 1.00 60.24 C ATOM 1052 C GLN A 71 5.004 8.310 -3.595 1.00 4.10 C ATOM 1053 O GLN A 71 5.331 8.815 -2.519 1.00 52.22 O ATOM 1054 CB GLN A 71 3.439 9.857 -4.787 1.00 74.24 C ATOM 1055 CG GLN A 71 3.037 10.624 -6.048 1.00 14.12 C ATOM 1056 CD GLN A 71 2.192 9.825 -7.047 1.00 0.12 C ATOM 1057 OE1 GLN A 71 2.293 8.599 -7.156 1.00 44.24 O ATOM 1058 NE2 GLN A 71 1.348 10.524 -7.786 1.00 50.34 N ATOM 0 H GLN A 71 4.046 8.302 -6.588 1.00 13.41 H new ATOM 0 HA GLN A 71 5.612 9.927 -4.867 1.00 60.24 H new ATOM 0 HB2 GLN A 71 2.685 9.095 -4.588 1.00 74.24 H new ATOM 0 HB3 GLN A 71 3.427 10.546 -3.942 1.00 74.24 H new ATOM 0 HG2 GLN A 71 2.480 11.513 -5.753 1.00 14.12 H new ATOM 0 HG3 GLN A 71 3.941 10.966 -6.551 1.00 14.12 H new ATOM 0 HE21 GLN A 71 1.288 11.536 -7.672 1.00 50.34 H new ATOM 0 HE22 GLN A 71 0.757 10.052 -8.470 1.00 50.34 H new ATOM 1067 N ALA A 72 4.824 6.999 -3.781 1.00 3.30 N ATOM 1068 CA ALA A 72 4.907 6.006 -2.723 1.00 4.32 C ATOM 1069 C ALA A 72 6.314 5.810 -2.182 1.00 75.11 C ATOM 1070 O ALA A 72 6.456 5.364 -1.061 1.00 62.41 O ATOM 1071 CB ALA A 72 4.388 4.692 -3.223 1.00 11.25 C ATOM 0 H ALA A 72 4.612 6.597 -4.694 1.00 3.30 H new ATOM 0 HA ALA A 72 4.298 6.382 -1.901 1.00 4.32 H new ATOM 0 HB1 ALA A 72 4.451 3.949 -2.428 1.00 11.25 H new ATOM 0 HB2 ALA A 72 3.349 4.805 -3.532 1.00 11.25 H new ATOM 0 HB3 ALA A 72 4.986 4.365 -4.074 1.00 11.25 H new ATOM 1077 N GLU A 73 7.339 6.123 -2.993 1.00 74.30 N ATOM 1078 CA GLU A 73 8.753 6.033 -2.573 1.00 2.22 C ATOM 1079 C GLU A 73 9.054 6.953 -1.385 1.00 13.25 C ATOM 1080 O GLU A 73 9.929 6.671 -0.568 1.00 52.22 O ATOM 1081 CB GLU A 73 9.680 6.400 -3.729 1.00 0.32 C ATOM 1082 CG GLU A 73 9.490 5.537 -4.964 1.00 14.11 C ATOM 1083 CD GLU A 73 10.356 5.969 -6.122 1.00 31.01 C ATOM 1084 OE1 GLU A 73 10.063 7.025 -6.716 1.00 51.45 O ATOM 1085 OE2 GLU A 73 11.333 5.262 -6.445 1.00 25.41 O ATOM 0 H GLU A 73 7.215 6.444 -3.953 1.00 74.30 H new ATOM 0 HA GLU A 73 8.928 5.001 -2.268 1.00 2.22 H new ATOM 0 HB2 GLU A 73 9.515 7.444 -3.997 1.00 0.32 H new ATOM 0 HB3 GLU A 73 10.714 6.316 -3.394 1.00 0.32 H new ATOM 0 HG2 GLU A 73 9.716 4.500 -4.715 1.00 14.11 H new ATOM 0 HG3 GLU A 73 8.444 5.571 -5.267 1.00 14.11 H new ATOM 1092 N LYS A 74 8.345 8.068 -1.314 1.00 42.33 N ATOM 1093 CA LYS A 74 8.460 8.989 -0.192 1.00 3.45 C ATOM 1094 C LYS A 74 7.696 8.469 1.035 1.00 4.11 C ATOM 1095 O LYS A 74 8.134 8.642 2.173 1.00 24.41 O ATOM 1096 CB LYS A 74 7.959 10.374 -0.614 1.00 3.13 C ATOM 1097 CG LYS A 74 8.655 10.931 -1.865 1.00 70.02 C ATOM 1098 CD LYS A 74 10.178 10.996 -1.729 1.00 71.21 C ATOM 1099 CE LYS A 74 10.611 11.943 -0.622 1.00 33.04 C ATOM 1100 NZ LYS A 74 12.077 11.940 -0.413 1.00 4.24 N ATOM 0 H LYS A 74 7.677 8.360 -2.027 1.00 42.33 H new ATOM 0 HA LYS A 74 9.509 9.067 0.095 1.00 3.45 H new ATOM 0 HB2 LYS A 74 6.886 10.321 -0.800 1.00 3.13 H new ATOM 0 HB3 LYS A 74 8.105 11.070 0.212 1.00 3.13 H new ATOM 0 HG2 LYS A 74 8.400 10.309 -2.723 1.00 70.02 H new ATOM 0 HG3 LYS A 74 8.272 11.930 -2.071 1.00 70.02 H new ATOM 0 HD2 LYS A 74 10.567 9.998 -1.525 1.00 71.21 H new ATOM 0 HD3 LYS A 74 10.613 11.320 -2.674 1.00 71.21 H new ATOM 0 HE2 LYS A 74 10.284 12.954 -0.865 1.00 33.04 H new ATOM 0 HE3 LYS A 74 10.114 11.662 0.307 1.00 33.04 H new ATOM 0 HZ1 LYS A 74 12.320 12.602 0.352 1.00 4.24 H new ATOM 0 HZ2 LYS A 74 12.389 10.982 -0.154 1.00 4.24 H new ATOM 0 HZ3 LYS A 74 12.553 12.234 -1.290 1.00 4.24 H new ATOM 1114 N VAL A 75 6.568 7.805 0.768 1.00 31.44 N ATOM 1115 CA VAL A 75 5.642 7.311 1.799 1.00 73.23 C ATOM 1116 C VAL A 75 6.210 6.081 2.549 1.00 54.42 C ATOM 1117 O VAL A 75 6.033 5.948 3.766 1.00 14.43 O ATOM 1118 CB VAL A 75 4.267 6.955 1.154 1.00 35.51 C ATOM 1119 CG1 VAL A 75 3.241 6.560 2.193 1.00 32.05 C ATOM 1120 CG2 VAL A 75 3.728 8.110 0.328 1.00 22.32 C ATOM 0 H VAL A 75 6.265 7.591 -0.182 1.00 31.44 H new ATOM 0 HA VAL A 75 5.509 8.108 2.530 1.00 73.23 H new ATOM 0 HB VAL A 75 4.445 6.101 0.501 1.00 35.51 H new ATOM 0 HG11 VAL A 75 2.298 6.320 1.701 1.00 32.05 H new ATOM 0 HG12 VAL A 75 3.596 5.688 2.742 1.00 32.05 H new ATOM 0 HG13 VAL A 75 3.088 7.387 2.886 1.00 32.05 H new ATOM 0 HG21 VAL A 75 2.769 7.829 -0.108 1.00 22.32 H new ATOM 0 HG22 VAL A 75 3.595 8.983 0.967 1.00 22.32 H new ATOM 0 HG23 VAL A 75 4.433 8.348 -0.469 1.00 22.32 H new ATOM 1130 N GLU A 76 6.896 5.202 1.806 1.00 54.13 N ATOM 1131 CA GLU A 76 7.484 3.968 2.352 1.00 43.23 C ATOM 1132 C GLU A 76 8.595 4.244 3.376 1.00 22.42 C ATOM 1133 O GLU A 76 8.705 3.534 4.376 1.00 34.31 O ATOM 1134 CB GLU A 76 8.023 3.071 1.227 1.00 22.24 C ATOM 1135 CG GLU A 76 8.855 3.802 0.204 1.00 41.40 C ATOM 1136 CD GLU A 76 10.017 3.015 -0.335 1.00 40.31 C ATOM 1137 OE1 GLU A 76 9.801 1.969 -0.981 1.00 31.52 O ATOM 1138 OE2 GLU A 76 11.160 3.436 -0.097 1.00 40.31 O ATOM 0 H GLU A 76 7.060 5.326 0.807 1.00 54.13 H new ATOM 0 HA GLU A 76 6.679 3.450 2.873 1.00 43.23 H new ATOM 0 HB2 GLU A 76 8.624 2.275 1.667 1.00 22.24 H new ATOM 0 HB3 GLU A 76 7.183 2.594 0.723 1.00 22.24 H new ATOM 0 HG2 GLU A 76 8.213 4.092 -0.627 1.00 41.40 H new ATOM 0 HG3 GLU A 76 9.232 4.722 0.651 1.00 41.40 H new ATOM 1145 N ALA A 77 9.397 5.284 3.115 1.00 13.23 N ATOM 1146 CA ALA A 77 10.457 5.717 4.027 1.00 3.21 C ATOM 1147 C ALA A 77 9.900 6.177 5.378 1.00 10.50 C ATOM 1148 O ALA A 77 10.511 5.938 6.418 1.00 33.40 O ATOM 1149 CB ALA A 77 11.264 6.828 3.383 1.00 75.03 C ATOM 0 H ALA A 77 9.328 5.846 2.267 1.00 13.23 H new ATOM 0 HA ALA A 77 11.103 4.860 4.220 1.00 3.21 H new ATOM 0 HB1 ALA A 77 12.052 7.148 4.065 1.00 75.03 H new ATOM 0 HB2 ALA A 77 11.710 6.464 2.458 1.00 75.03 H new ATOM 0 HB3 ALA A 77 10.610 7.672 3.163 1.00 75.03 H new ATOM 1155 N TYR A 78 8.718 6.797 5.342 1.00 5.11 N ATOM 1156 CA TYR A 78 8.036 7.268 6.542 1.00 14.21 C ATOM 1157 C TYR A 78 7.482 6.100 7.382 1.00 72.31 C ATOM 1158 O TYR A 78 7.450 6.179 8.602 1.00 24.24 O ATOM 1159 CB TYR A 78 6.914 8.234 6.156 1.00 54.01 C ATOM 1160 CG TYR A 78 6.273 8.945 7.330 1.00 0.35 C ATOM 1161 CD1 TYR A 78 6.884 10.046 7.910 1.00 3.34 C ATOM 1162 CD2 TYR A 78 5.058 8.521 7.852 1.00 11.14 C ATOM 1163 CE1 TYR A 78 6.303 10.704 8.974 1.00 31.54 C ATOM 1164 CE2 TYR A 78 4.472 9.174 8.913 1.00 72.42 C ATOM 1165 CZ TYR A 78 5.097 10.264 9.470 1.00 11.32 C ATOM 1166 OH TYR A 78 4.513 10.918 10.528 1.00 1.05 O ATOM 0 H TYR A 78 8.210 6.985 4.478 1.00 5.11 H new ATOM 0 HA TYR A 78 8.765 7.792 7.160 1.00 14.21 H new ATOM 0 HB2 TYR A 78 7.313 8.980 5.468 1.00 54.01 H new ATOM 0 HB3 TYR A 78 6.145 7.682 5.616 1.00 54.01 H new ATOM 0 HD1 TYR A 78 7.830 10.394 7.523 1.00 3.34 H new ATOM 0 HD2 TYR A 78 4.564 7.664 7.418 1.00 11.14 H new ATOM 0 HE1 TYR A 78 6.792 11.560 9.415 1.00 31.54 H new ATOM 0 HE2 TYR A 78 3.526 8.831 9.306 1.00 72.42 H new ATOM 0 HH TYR A 78 3.665 10.481 10.755 1.00 1.05 H new ATOM 1176 N LEU A 79 7.048 5.026 6.727 1.00 55.32 N ATOM 1177 CA LEU A 79 6.497 3.864 7.428 1.00 4.35 C ATOM 1178 C LEU A 79 7.604 3.101 8.171 1.00 23.44 C ATOM 1179 O LEU A 79 7.394 2.662 9.303 1.00 40.31 O ATOM 1180 CB LEU A 79 5.751 2.958 6.414 1.00 13.00 C ATOM 1181 CG LEU A 79 4.870 1.792 6.950 1.00 43.12 C ATOM 1182 CD1 LEU A 79 5.680 0.528 7.189 1.00 73.24 C ATOM 1183 CD2 LEU A 79 4.111 2.182 8.217 1.00 34.12 C ATOM 0 H LEU A 79 7.066 4.934 5.711 1.00 55.32 H new ATOM 0 HA LEU A 79 5.783 4.198 8.181 1.00 4.35 H new ATOM 0 HB2 LEU A 79 5.113 3.600 5.806 1.00 13.00 H new ATOM 0 HB3 LEU A 79 6.497 2.527 5.747 1.00 13.00 H new ATOM 0 HG LEU A 79 4.139 1.582 6.170 1.00 43.12 H new ATOM 0 HD11 LEU A 79 5.025 -0.259 7.563 1.00 73.24 H new ATOM 0 HD12 LEU A 79 6.137 0.206 6.253 1.00 73.24 H new ATOM 0 HD13 LEU A 79 6.460 0.729 7.923 1.00 73.24 H new ATOM 0 HD21 LEU A 79 3.510 1.338 8.555 1.00 34.12 H new ATOM 0 HD22 LEU A 79 4.821 2.457 8.997 1.00 34.12 H new ATOM 0 HD23 LEU A 79 3.460 3.030 8.005 1.00 34.12 H new ATOM 1195 N VAL A 80 8.772 2.954 7.540 1.00 24.12 N ATOM 1196 CA VAL A 80 9.892 2.221 8.149 1.00 63.30 C ATOM 1197 C VAL A 80 10.522 3.013 9.316 1.00 44.40 C ATOM 1198 O VAL A 80 10.956 2.420 10.295 1.00 74.24 O ATOM 1199 CB VAL A 80 10.975 1.825 7.098 1.00 41.01 C ATOM 1200 CG1 VAL A 80 12.091 0.980 7.712 1.00 71.23 C ATOM 1201 CG2 VAL A 80 10.349 1.062 5.939 1.00 11.33 C ATOM 0 H VAL A 80 8.969 3.330 6.612 1.00 24.12 H new ATOM 0 HA VAL A 80 9.477 1.298 8.554 1.00 63.30 H new ATOM 0 HB VAL A 80 11.411 2.755 6.733 1.00 41.01 H new ATOM 0 HG11 VAL A 80 12.822 0.728 6.943 1.00 71.23 H new ATOM 0 HG12 VAL A 80 12.580 1.544 8.506 1.00 71.23 H new ATOM 0 HG13 VAL A 80 11.669 0.064 8.125 1.00 71.23 H new ATOM 0 HG21 VAL A 80 11.122 0.796 5.218 1.00 11.33 H new ATOM 0 HG22 VAL A 80 9.875 0.155 6.314 1.00 11.33 H new ATOM 0 HG23 VAL A 80 9.600 1.688 5.453 1.00 11.33 H new ATOM 1211 N GLU A 81 10.533 4.348 9.242 1.00 23.55 N ATOM 1212 CA GLU A 81 11.057 5.147 10.355 1.00 33.51 C ATOM 1213 C GLU A 81 10.075 5.179 11.540 1.00 31.44 C ATOM 1214 O GLU A 81 10.497 5.293 12.685 1.00 62.35 O ATOM 1215 CB GLU A 81 11.418 6.577 9.923 1.00 53.12 C ATOM 1216 CG GLU A 81 10.240 7.399 9.437 1.00 2.14 C ATOM 1217 CD GLU A 81 10.572 8.847 9.224 1.00 52.11 C ATOM 1218 OE1 GLU A 81 11.087 9.195 8.147 1.00 61.31 O ATOM 1219 OE2 GLU A 81 10.298 9.652 10.133 1.00 64.11 O ATOM 0 H GLU A 81 10.195 4.887 8.445 1.00 23.55 H new ATOM 0 HA GLU A 81 11.974 4.656 10.681 1.00 33.51 H new ATOM 0 HB2 GLU A 81 11.883 7.092 10.764 1.00 53.12 H new ATOM 0 HB3 GLU A 81 12.163 6.527 9.129 1.00 53.12 H new ATOM 0 HG2 GLU A 81 9.873 6.977 8.502 1.00 2.14 H new ATOM 0 HG3 GLU A 81 9.429 7.322 10.161 1.00 2.14 H new ATOM 1226 N LYS A 82 8.773 5.052 11.257 1.00 22.53 N ATOM 1227 CA LYS A 82 7.746 5.112 12.293 1.00 71.45 C ATOM 1228 C LYS A 82 7.523 3.769 12.978 1.00 54.13 C ATOM 1229 O LYS A 82 7.197 3.745 14.165 1.00 21.41 O ATOM 1230 CB LYS A 82 6.423 5.626 11.698 1.00 42.03 C ATOM 1231 CG LYS A 82 6.393 7.136 11.523 1.00 21.23 C ATOM 1232 CD LYS A 82 6.480 7.836 12.860 1.00 64.13 C ATOM 1233 CE LYS A 82 6.699 9.331 12.711 1.00 33.43 C ATOM 1234 NZ LYS A 82 8.060 9.647 12.201 1.00 32.43 N ATOM 0 H LYS A 82 8.409 4.907 10.315 1.00 22.53 H new ATOM 0 HA LYS A 82 8.102 5.805 13.055 1.00 71.45 H new ATOM 0 HB2 LYS A 82 6.258 5.151 10.731 1.00 42.03 H new ATOM 0 HB3 LYS A 82 5.599 5.325 12.346 1.00 42.03 H new ATOM 0 HG2 LYS A 82 7.223 7.449 10.889 1.00 21.23 H new ATOM 0 HG3 LYS A 82 5.475 7.429 11.014 1.00 21.23 H new ATOM 0 HD2 LYS A 82 5.563 7.659 13.421 1.00 64.13 H new ATOM 0 HD3 LYS A 82 7.297 7.407 13.441 1.00 64.13 H new ATOM 0 HE2 LYS A 82 5.953 9.741 12.030 1.00 33.43 H new ATOM 0 HE3 LYS A 82 6.551 9.817 13.676 1.00 33.43 H new ATOM 0 HZ1 LYS A 82 8.248 10.663 12.320 1.00 32.43 H new ATOM 0 HZ2 LYS A 82 8.766 9.099 12.733 1.00 32.43 H new ATOM 0 HZ3 LYS A 82 8.119 9.400 11.192 1.00 32.43 H new ATOM 1248 N GLN A 83 7.704 2.668 12.208 1.00 60.31 N ATOM 1249 CA GLN A 83 7.509 1.270 12.672 1.00 20.04 C ATOM 1250 C GLN A 83 6.050 0.972 13.032 1.00 11.34 C ATOM 1251 O GLN A 83 5.755 -0.058 13.649 1.00 11.02 O ATOM 1252 CB GLN A 83 8.403 0.936 13.876 1.00 62.40 C ATOM 1253 CG GLN A 83 9.881 0.871 13.568 1.00 13.42 C ATOM 1254 CD GLN A 83 10.227 -0.314 12.707 1.00 62.44 C ATOM 1255 OE1 GLN A 83 10.468 -1.404 13.212 1.00 2.35 O ATOM 1256 NE2 GLN A 83 10.277 -0.103 11.415 1.00 14.42 N ATOM 0 H GLN A 83 7.994 2.726 11.232 1.00 60.31 H new ATOM 0 HA GLN A 83 7.794 0.639 11.830 1.00 20.04 H new ATOM 0 HB2 GLN A 83 8.240 1.685 14.651 1.00 62.40 H new ATOM 0 HB3 GLN A 83 8.089 -0.023 14.289 1.00 62.40 H new ATOM 0 HG2 GLN A 83 10.187 1.787 13.063 1.00 13.42 H new ATOM 0 HG3 GLN A 83 10.443 0.818 14.500 1.00 13.42 H new ATOM 0 HE21 GLN A 83 10.068 0.823 11.041 1.00 14.42 H new ATOM 0 HE22 GLN A 83 10.525 -0.864 10.783 1.00 14.42 H new ATOM 1265 N ASP A 84 5.142 1.841 12.612 1.00 13.25 N ATOM 1266 CA ASP A 84 3.770 1.768 13.053 1.00 32.43 C ATOM 1267 C ASP A 84 2.823 2.070 11.893 1.00 45.10 C ATOM 1268 O ASP A 84 2.863 3.164 11.324 1.00 43.13 O ATOM 1269 CB ASP A 84 3.546 2.747 14.208 1.00 2.22 C ATOM 1270 CG ASP A 84 2.294 2.439 15.003 1.00 24.20 C ATOM 1271 OD1 ASP A 84 1.191 2.725 14.521 1.00 60.13 O ATOM 1272 OD2 ASP A 84 2.414 1.922 16.127 1.00 40.34 O ATOM 0 H ASP A 84 5.338 2.604 11.965 1.00 13.25 H new ATOM 0 HA ASP A 84 3.560 0.758 13.406 1.00 32.43 H new ATOM 0 HB2 ASP A 84 4.409 2.721 14.873 1.00 2.22 H new ATOM 0 HB3 ASP A 84 3.479 3.760 13.812 1.00 2.22 H new ATOM 1277 N PRO A 85 1.959 1.093 11.531 1.00 31.32 N ATOM 1278 CA PRO A 85 1.030 1.203 10.389 1.00 63.35 C ATOM 1279 C PRO A 85 -0.204 2.097 10.623 1.00 14.01 C ATOM 1280 O PRO A 85 -1.031 2.234 9.729 1.00 11.11 O ATOM 1281 CB PRO A 85 0.574 -0.240 10.200 1.00 73.24 C ATOM 1282 CG PRO A 85 0.626 -0.829 11.558 1.00 33.34 C ATOM 1283 CD PRO A 85 1.850 -0.235 12.186 1.00 71.01 C ATOM 0 HA PRO A 85 1.528 1.670 9.540 1.00 63.35 H new ATOM 0 HB2 PRO A 85 -0.433 -0.286 9.786 1.00 73.24 H new ATOM 0 HB3 PRO A 85 1.227 -0.775 9.511 1.00 73.24 H new ATOM 0 HG2 PRO A 85 -0.270 -0.585 12.129 1.00 33.34 H new ATOM 0 HG3 PRO A 85 0.691 -1.916 11.515 1.00 33.34 H new ATOM 0 HD2 PRO A 85 1.743 -0.143 13.267 1.00 71.01 H new ATOM 0 HD3 PRO A 85 2.733 -0.847 12.004 1.00 71.01 H new ATOM 1291 N THR A 86 -0.342 2.684 11.810 1.00 40.42 N ATOM 1292 CA THR A 86 -1.486 3.543 12.102 1.00 0.45 C ATOM 1293 C THR A 86 -1.038 4.882 12.723 1.00 22.05 C ATOM 1294 O THR A 86 -1.865 5.744 13.041 1.00 0.25 O ATOM 1295 CB THR A 86 -2.544 2.793 12.987 1.00 13.12 C ATOM 1296 OG1 THR A 86 -3.736 3.572 13.157 1.00 44.43 O ATOM 1297 CG2 THR A 86 -2.003 2.407 14.351 1.00 24.44 C ATOM 0 H THR A 86 0.319 2.581 12.580 1.00 40.42 H new ATOM 0 HA THR A 86 -1.978 3.786 11.160 1.00 0.45 H new ATOM 0 HB THR A 86 -2.782 1.878 12.445 1.00 13.12 H new ATOM 0 HG1 THR A 86 -3.505 4.524 13.175 1.00 44.43 H new ATOM 0 HG21 THR A 86 -2.779 1.892 14.918 1.00 24.44 H new ATOM 0 HG22 THR A 86 -1.144 1.747 14.228 1.00 24.44 H new ATOM 0 HG23 THR A 86 -1.697 3.305 14.888 1.00 24.44 H new ATOM 1305 N ASP A 87 0.280 5.076 12.850 1.00 0.42 N ATOM 1306 CA ASP A 87 0.822 6.323 13.379 1.00 13.25 C ATOM 1307 C ASP A 87 0.978 7.344 12.254 1.00 10.13 C ATOM 1308 O ASP A 87 1.998 7.380 11.549 1.00 45.31 O ATOM 1309 CB ASP A 87 2.155 6.089 14.098 1.00 20.52 C ATOM 1310 CG ASP A 87 2.622 7.306 14.869 1.00 75.23 C ATOM 1311 OD1 ASP A 87 2.037 7.607 15.928 1.00 32.43 O ATOM 1312 OD2 ASP A 87 3.561 7.978 14.410 1.00 22.43 O ATOM 0 H ASP A 87 0.985 4.385 12.593 1.00 0.42 H new ATOM 0 HA ASP A 87 0.121 6.718 14.114 1.00 13.25 H new ATOM 0 HB2 ASP A 87 2.051 5.247 14.783 1.00 20.52 H new ATOM 0 HB3 ASP A 87 2.915 5.813 13.367 1.00 20.52 H new ATOM 1317 N ILE A 88 -0.070 8.145 12.079 1.00 65.11 N ATOM 1318 CA ILE A 88 -0.155 9.112 10.994 1.00 41.24 C ATOM 1319 C ILE A 88 -1.338 10.067 11.248 1.00 71.45 C ATOM 1320 O ILE A 88 -2.307 9.704 11.920 1.00 53.24 O ATOM 1321 CB ILE A 88 -0.295 8.382 9.612 1.00 4.22 C ATOM 1322 CG1 ILE A 88 -0.228 9.356 8.421 1.00 4.12 C ATOM 1323 CG2 ILE A 88 -1.582 7.559 9.545 1.00 64.13 C ATOM 1324 CD1 ILE A 88 1.095 10.072 8.255 1.00 50.14 C ATOM 0 H ILE A 88 -0.887 8.140 12.690 1.00 65.11 H new ATOM 0 HA ILE A 88 0.763 9.698 10.960 1.00 41.24 H new ATOM 0 HB ILE A 88 0.559 7.708 9.536 1.00 4.22 H new ATOM 0 HG12 ILE A 88 -0.442 8.803 7.506 1.00 4.12 H new ATOM 0 HG13 ILE A 88 -1.016 10.101 8.535 1.00 4.12 H new ATOM 0 HG21 ILE A 88 -1.649 7.066 8.575 1.00 64.13 H new ATOM 0 HG22 ILE A 88 -1.575 6.807 10.334 1.00 64.13 H new ATOM 0 HG23 ILE A 88 -2.441 8.216 9.678 1.00 64.13 H new ATOM 0 HD11 ILE A 88 1.044 10.735 7.391 1.00 50.14 H new ATOM 0 HD12 ILE A 88 1.306 10.658 9.150 1.00 50.14 H new ATOM 0 HD13 ILE A 88 1.889 9.340 8.105 1.00 50.14 H new ATOM 1336 N LYS A 89 -1.220 11.289 10.751 1.00 4.01 N ATOM 1337 CA LYS A 89 -2.288 12.269 10.819 1.00 64.41 C ATOM 1338 C LYS A 89 -2.315 13.071 9.514 1.00 13.10 C ATOM 1339 O LYS A 89 -1.265 13.368 8.938 1.00 12.24 O ATOM 1340 CB LYS A 89 -2.073 13.159 12.054 1.00 32.12 C ATOM 1341 CG LYS A 89 -3.152 14.213 12.289 1.00 53.45 C ATOM 1342 CD LYS A 89 -3.084 14.807 13.695 1.00 51.03 C ATOM 1343 CE LYS A 89 -1.718 15.413 14.023 1.00 53.43 C ATOM 1344 NZ LYS A 89 -1.359 16.536 13.116 1.00 74.13 N ATOM 0 H LYS A 89 -0.377 11.628 10.288 1.00 4.01 H new ATOM 0 HA LYS A 89 -3.259 11.786 10.927 1.00 64.41 H new ATOM 0 HB2 LYS A 89 -2.012 12.521 12.936 1.00 32.12 H new ATOM 0 HB3 LYS A 89 -1.111 13.662 11.957 1.00 32.12 H new ATOM 0 HG2 LYS A 89 -3.044 15.011 11.554 1.00 53.45 H new ATOM 0 HG3 LYS A 89 -4.134 13.766 12.133 1.00 53.45 H new ATOM 0 HD2 LYS A 89 -3.850 15.576 13.796 1.00 51.03 H new ATOM 0 HD3 LYS A 89 -3.315 14.030 14.423 1.00 51.03 H new ATOM 0 HE2 LYS A 89 -1.720 15.769 15.053 1.00 53.43 H new ATOM 0 HE3 LYS A 89 -0.955 14.638 13.955 1.00 53.43 H new ATOM 0 HZ1 LYS A 89 -0.433 16.922 13.391 1.00 74.13 H new ATOM 0 HZ2 LYS A 89 -1.313 16.190 12.136 1.00 74.13 H new ATOM 0 HZ3 LYS A 89 -2.080 17.282 13.186 1.00 74.13 H new ATOM 1358 N TYR A 90 -3.519 13.367 9.030 1.00 35.15 N ATOM 1359 CA TYR A 90 -3.690 14.057 7.749 1.00 72.21 C ATOM 1360 C TYR A 90 -4.400 15.385 7.941 1.00 61.33 C ATOM 1361 O TYR A 90 -5.070 15.609 8.952 1.00 34.03 O ATOM 1362 CB TYR A 90 -4.489 13.202 6.745 1.00 0.14 C ATOM 1363 CG TYR A 90 -3.978 11.787 6.589 1.00 63.23 C ATOM 1364 CD1 TYR A 90 -2.929 11.503 5.732 1.00 50.33 C ATOM 1365 CD2 TYR A 90 -4.535 10.744 7.314 1.00 12.24 C ATOM 1366 CE1 TYR A 90 -2.456 10.215 5.589 1.00 74.52 C ATOM 1367 CE2 TYR A 90 -4.065 9.458 7.182 1.00 1.30 C ATOM 1368 CZ TYR A 90 -3.027 9.198 6.322 1.00 24.11 C ATOM 1369 OH TYR A 90 -2.564 7.917 6.191 1.00 61.54 O ATOM 0 H TYR A 90 -4.393 13.140 9.505 1.00 35.15 H new ATOM 0 HA TYR A 90 -2.692 14.230 7.347 1.00 72.21 H new ATOM 0 HB2 TYR A 90 -5.531 13.167 7.064 1.00 0.14 H new ATOM 0 HB3 TYR A 90 -4.470 13.692 5.772 1.00 0.14 H new ATOM 0 HD1 TYR A 90 -2.474 12.302 5.166 1.00 50.33 H new ATOM 0 HD2 TYR A 90 -5.351 10.945 7.993 1.00 12.24 H new ATOM 0 HE1 TYR A 90 -1.644 10.006 4.908 1.00 74.52 H new ATOM 0 HE2 TYR A 90 -4.511 8.656 7.752 1.00 1.30 H new ATOM 0 HH TYR A 90 -1.607 7.935 5.979 1.00 61.54 H new ATOM 1379 N LYS A 91 -4.230 16.265 6.964 1.00 15.11 N ATOM 1380 CA LYS A 91 -4.955 17.525 6.913 1.00 72.23 C ATOM 1381 C LYS A 91 -5.520 17.741 5.506 1.00 24.30 C ATOM 1382 O LYS A 91 -4.958 18.481 4.703 1.00 22.14 O ATOM 1383 CB LYS A 91 -4.051 18.715 7.364 1.00 63.32 C ATOM 1384 CG LYS A 91 -2.516 18.539 7.217 1.00 1.54 C ATOM 1385 CD LYS A 91 -1.995 18.614 5.773 1.00 74.13 C ATOM 1386 CE LYS A 91 -2.205 19.989 5.129 1.00 45.22 C ATOM 1387 NZ LYS A 91 -1.433 21.071 5.792 1.00 72.12 N ATOM 0 H LYS A 91 -3.586 16.125 6.186 1.00 15.11 H new ATOM 0 HA LYS A 91 -5.789 17.481 7.613 1.00 72.23 H new ATOM 0 HB2 LYS A 91 -4.345 19.597 6.795 1.00 63.32 H new ATOM 0 HB3 LYS A 91 -4.268 18.925 8.411 1.00 63.32 H new ATOM 0 HG2 LYS A 91 -2.018 19.307 7.809 1.00 1.54 H new ATOM 0 HG3 LYS A 91 -2.232 17.576 7.641 1.00 1.54 H new ATOM 0 HD2 LYS A 91 -0.932 18.374 5.764 1.00 74.13 H new ATOM 0 HD3 LYS A 91 -2.498 17.857 5.172 1.00 74.13 H new ATOM 0 HE2 LYS A 91 -1.918 19.938 4.079 1.00 45.22 H new ATOM 0 HE3 LYS A 91 -3.266 20.238 5.158 1.00 45.22 H new ATOM 0 HZ1 LYS A 91 -1.551 21.957 5.260 1.00 72.12 H new ATOM 0 HZ2 LYS A 91 -1.781 21.201 6.763 1.00 72.12 H new ATOM 0 HZ3 LYS A 91 -0.426 20.813 5.817 1.00 72.12 H new ATOM 1401 N ASP A 92 -6.655 17.110 5.201 1.00 12.31 N ATOM 1402 CA ASP A 92 -7.151 17.066 3.829 1.00 5.40 C ATOM 1403 C ASP A 92 -8.629 16.631 3.812 1.00 2.53 C ATOM 1404 O ASP A 92 -9.236 16.433 4.863 1.00 70.30 O ATOM 1405 CB ASP A 92 -6.270 16.102 3.013 1.00 31.34 C ATOM 1406 CG ASP A 92 -6.391 16.264 1.515 1.00 21.35 C ATOM 1407 OD1 ASP A 92 -6.350 17.406 1.028 1.00 33.30 O ATOM 1408 OD2 ASP A 92 -6.520 15.238 0.833 1.00 24.22 O ATOM 0 H ASP A 92 -7.242 16.627 5.881 1.00 12.31 H new ATOM 0 HA ASP A 92 -7.098 18.057 3.379 1.00 5.40 H new ATOM 0 HB2 ASP A 92 -5.229 16.250 3.299 1.00 31.34 H new ATOM 0 HB3 ASP A 92 -6.531 15.077 3.278 1.00 31.34 H new ATOM 1413 N ASN A 93 -9.193 16.496 2.615 1.00 74.02 N ATOM 1414 CA ASN A 93 -10.518 15.909 2.426 1.00 52.31 C ATOM 1415 C ASN A 93 -10.403 14.460 1.936 1.00 64.41 C ATOM 1416 O ASN A 93 -11.417 13.789 1.732 1.00 22.55 O ATOM 1417 CB ASN A 93 -11.328 16.729 1.414 1.00 51.24 C ATOM 1418 CG ASN A 93 -11.685 18.113 1.913 1.00 24.03 C ATOM 1419 OD1 ASN A 93 -12.720 18.306 2.542 1.00 54.30 O ATOM 1420 ND2 ASN A 93 -10.841 19.088 1.624 1.00 12.51 N ATOM 0 H ASN A 93 -8.745 16.790 1.747 1.00 74.02 H new ATOM 0 HA ASN A 93 -11.031 15.918 3.388 1.00 52.31 H new ATOM 0 HB2 ASN A 93 -10.757 16.820 0.490 1.00 51.24 H new ATOM 0 HB3 ASN A 93 -12.244 16.191 1.171 1.00 51.24 H new ATOM 0 HD21 ASN A 93 -11.040 20.042 1.926 1.00 12.51 H new ATOM 0 HD22 ASN A 93 -9.990 18.887 1.099 1.00 12.51 H new ATOM 1427 N ASP A 94 -9.169 13.971 1.781 1.00 74.22 N ATOM 1428 CA ASP A 94 -8.931 12.632 1.259 1.00 12.24 C ATOM 1429 C ASP A 94 -7.912 11.920 2.141 1.00 43.33 C ATOM 1430 O ASP A 94 -8.186 10.843 2.659 1.00 41.02 O ATOM 1431 CB ASP A 94 -8.413 12.687 -0.190 1.00 64.31 C ATOM 1432 CG ASP A 94 -8.715 11.423 -0.981 1.00 41.41 C ATOM 1433 OD1 ASP A 94 -8.558 10.308 -0.439 1.00 25.21 O ATOM 1434 OD2 ASP A 94 -9.124 11.537 -2.156 1.00 74.13 O ATOM 0 H ASP A 94 -8.321 14.488 2.012 1.00 74.22 H new ATOM 0 HA ASP A 94 -9.874 12.085 1.264 1.00 12.24 H new ATOM 0 HB2 ASP A 94 -8.861 13.541 -0.697 1.00 64.31 H new ATOM 0 HB3 ASP A 94 -7.336 12.852 -0.178 1.00 64.31 H new ATOM 1439 N GLY A 95 -6.753 12.548 2.328 1.00 2.43 N ATOM 1440 CA GLY A 95 -5.686 11.929 3.082 1.00 44.31 C ATOM 1441 C GLY A 95 -4.308 12.393 2.660 1.00 5.11 C ATOM 1442 O GLY A 95 -3.431 11.577 2.428 1.00 24.12 O ATOM 0 H GLY A 95 -6.538 13.478 1.968 1.00 2.43 H new ATOM 0 HA2 GLY A 95 -5.826 12.145 4.141 1.00 44.31 H new ATOM 0 HA3 GLY A 95 -5.749 10.847 2.966 1.00 44.31 H new ATOM 1446 N HIS A 96 -4.113 13.695 2.567 1.00 71.14 N ATOM 1447 CA HIS A 96 -2.787 14.256 2.317 1.00 51.52 C ATOM 1448 C HIS A 96 -2.186 14.740 3.623 1.00 23.14 C ATOM 1449 O HIS A 96 -2.896 15.229 4.498 1.00 53.33 O ATOM 1450 CB HIS A 96 -2.836 15.414 1.307 1.00 44.25 C ATOM 1451 CG HIS A 96 -3.174 14.999 -0.102 1.00 21.51 C ATOM 1452 ND1 HIS A 96 -4.048 15.702 -0.901 1.00 31.43 N ATOM 1453 CD2 HIS A 96 -2.768 13.940 -0.843 1.00 13.13 C ATOM 1454 CE1 HIS A 96 -4.173 15.098 -2.062 1.00 52.15 C ATOM 1455 NE2 HIS A 96 -3.407 14.027 -2.056 1.00 5.20 N ATOM 0 H HIS A 96 -4.854 14.390 2.660 1.00 71.14 H new ATOM 0 HA HIS A 96 -2.166 13.469 1.888 1.00 51.52 H new ATOM 0 HB2 HIS A 96 -3.573 16.143 1.644 1.00 44.25 H new ATOM 0 HB3 HIS A 96 -1.869 15.917 1.302 1.00 44.25 H new ATOM 0 HD2 HIS A 96 -2.073 13.172 -0.538 1.00 13.13 H new ATOM 0 HE1 HIS A 96 -4.797 15.424 -2.881 1.00 52.15 H new ATOM 0 HE2 HIS A 96 -3.305 13.368 -2.828 1.00 5.20 H new ATOM 1464 N THR A 97 -0.881 14.617 3.731 1.00 31.20 N ATOM 1465 CA THR A 97 -0.174 14.946 4.953 1.00 11.55 C ATOM 1466 C THR A 97 1.114 15.704 4.626 1.00 42.23 C ATOM 1467 O THR A 97 1.723 15.494 3.572 1.00 72.01 O ATOM 1468 CB THR A 97 0.109 13.671 5.808 1.00 63.24 C ATOM 1469 OG1 THR A 97 0.825 14.010 7.000 1.00 61.04 O ATOM 1470 CG2 THR A 97 0.882 12.602 5.037 1.00 43.30 C ATOM 0 H THR A 97 -0.279 14.287 2.976 1.00 31.20 H new ATOM 0 HA THR A 97 -0.808 15.596 5.556 1.00 11.55 H new ATOM 0 HB THR A 97 -0.864 13.253 6.067 1.00 63.24 H new ATOM 0 HG1 THR A 97 0.254 13.853 7.781 1.00 61.04 H new ATOM 0 HG21 THR A 97 1.050 11.739 5.681 1.00 43.30 H new ATOM 0 HG22 THR A 97 0.307 12.296 4.163 1.00 43.30 H new ATOM 0 HG23 THR A 97 1.842 13.007 4.716 1.00 43.30 H new ATOM 1478 N ASP A 98 1.518 16.592 5.533 1.00 54.43 N ATOM 1479 CA ASP A 98 2.725 17.400 5.347 1.00 33.11 C ATOM 1480 C ASP A 98 3.922 16.698 6.003 1.00 72.24 C ATOM 1481 O ASP A 98 5.082 17.072 5.798 1.00 65.34 O ATOM 1482 CB ASP A 98 2.517 18.810 5.932 1.00 2.34 C ATOM 1483 CG ASP A 98 3.645 19.774 5.589 1.00 71.40 C ATOM 1484 OD1 ASP A 98 3.735 20.197 4.420 1.00 41.51 O ATOM 1485 OD2 ASP A 98 4.436 20.118 6.493 1.00 65.43 O ATOM 0 H ASP A 98 1.026 16.772 6.408 1.00 54.43 H new ATOM 0 HA ASP A 98 2.930 17.507 4.282 1.00 33.11 H new ATOM 0 HB2 ASP A 98 1.576 19.215 5.561 1.00 2.34 H new ATOM 0 HB3 ASP A 98 2.427 18.737 7.016 1.00 2.34 H new ATOM 1490 N ALA A 99 3.620 15.632 6.754 1.00 11.44 N ATOM 1491 CA ALA A 99 4.634 14.811 7.403 1.00 22.44 C ATOM 1492 C ALA A 99 5.349 13.916 6.392 1.00 24.24 C ATOM 1493 O ALA A 99 6.419 13.385 6.681 1.00 41.22 O ATOM 1494 CB ALA A 99 4.005 13.978 8.508 1.00 71.13 C ATOM 0 H ALA A 99 2.664 15.319 6.925 1.00 11.44 H new ATOM 0 HA ALA A 99 5.379 15.473 7.844 1.00 22.44 H new ATOM 0 HB1 ALA A 99 4.772 13.369 8.986 1.00 71.13 H new ATOM 0 HB2 ALA A 99 3.552 14.638 9.248 1.00 71.13 H new ATOM 0 HB3 ALA A 99 3.239 13.329 8.083 1.00 71.13 H new ATOM 1500 N ILE A 100 4.746 13.748 5.207 1.00 23.04 N ATOM 1501 CA ILE A 100 5.382 13.050 4.103 1.00 31.12 C ATOM 1502 C ILE A 100 5.493 14.000 2.910 1.00 52.44 C ATOM 1503 O ILE A 100 4.511 14.248 2.192 1.00 2.43 O ATOM 1504 CB ILE A 100 4.621 11.767 3.669 1.00 62.22 C ATOM 1505 CG1 ILE A 100 4.344 10.870 4.885 1.00 21.31 C ATOM 1506 CG2 ILE A 100 5.439 11.007 2.620 1.00 32.53 C ATOM 1507 CD1 ILE A 100 3.532 9.634 4.581 1.00 31.52 C ATOM 0 H ILE A 100 3.810 14.093 4.997 1.00 23.04 H new ATOM 0 HA ILE A 100 6.366 12.732 4.448 1.00 31.12 H new ATOM 0 HB ILE A 100 3.665 12.055 3.231 1.00 62.22 H new ATOM 0 HG12 ILE A 100 5.296 10.566 5.320 1.00 21.31 H new ATOM 0 HG13 ILE A 100 3.821 11.456 5.641 1.00 21.31 H new ATOM 0 HG21 ILE A 100 4.900 10.108 2.320 1.00 32.53 H new ATOM 0 HG22 ILE A 100 5.596 11.644 1.750 1.00 32.53 H new ATOM 0 HG23 ILE A 100 6.404 10.727 3.044 1.00 32.53 H new ATOM 0 HD11 ILE A 100 3.385 9.061 5.496 1.00 31.52 H new ATOM 0 HD12 ILE A 100 2.563 9.926 4.176 1.00 31.52 H new ATOM 0 HD13 ILE A 100 4.061 9.022 3.851 1.00 31.52 H new ATOM 1519 N SER A 101 6.680 14.565 2.750 1.00 5.22 N ATOM 1520 CA SER A 101 6.995 15.403 1.603 1.00 33.05 C ATOM 1521 C SER A 101 7.223 14.542 0.368 1.00 65.23 C ATOM 1522 O SER A 101 7.986 13.579 0.418 1.00 13.24 O ATOM 1523 CB SER A 101 8.236 16.239 1.903 1.00 75.53 C ATOM 1524 OG SER A 101 8.034 17.023 3.058 1.00 71.40 O ATOM 0 H SER A 101 7.450 14.456 3.410 1.00 5.22 H new ATOM 0 HA SER A 101 6.156 16.070 1.408 1.00 33.05 H new ATOM 0 HB2 SER A 101 9.097 15.585 2.045 1.00 75.53 H new ATOM 0 HB3 SER A 101 8.462 16.883 1.053 1.00 75.53 H new ATOM 0 HG SER A 101 8.839 17.552 3.239 1.00 71.40 H new ATOM 1530 N GLY A 102 6.534 14.877 -0.719 1.00 70.52 N ATOM 1531 CA GLY A 102 6.694 14.145 -1.967 1.00 12.22 C ATOM 1532 C GLY A 102 5.478 13.313 -2.334 1.00 34.12 C ATOM 1533 O GLY A 102 5.367 12.833 -3.466 1.00 32.40 O ATOM 0 H GLY A 102 5.864 15.645 -0.759 1.00 70.52 H new ATOM 0 HA2 GLY A 102 6.899 14.852 -2.771 1.00 12.22 H new ATOM 0 HA3 GLY A 102 7.563 13.491 -1.888 1.00 12.22 H new ATOM 1537 N ALA A 103 4.571 13.133 -1.375 1.00 22.12 N ATOM 1538 CA ALA A 103 3.360 12.355 -1.595 1.00 2.53 C ATOM 1539 C ALA A 103 2.259 13.201 -2.237 1.00 23.45 C ATOM 1540 O ALA A 103 1.597 14.006 -1.576 1.00 24.42 O ATOM 1541 CB ALA A 103 2.887 11.748 -0.288 1.00 14.45 C ATOM 0 H ALA A 103 4.656 13.519 -0.435 1.00 22.12 H new ATOM 0 HA ALA A 103 3.594 11.549 -2.291 1.00 2.53 H new ATOM 0 HB1 ALA A 103 1.981 11.168 -0.463 1.00 14.45 H new ATOM 0 HB2 ALA A 103 3.663 11.096 0.112 1.00 14.45 H new ATOM 0 HB3 ALA A 103 2.676 12.543 0.427 1.00 14.45 H new ATOM 1547 N THR A 104 2.103 13.026 -3.545 1.00 61.22 N ATOM 1548 CA THR A 104 1.071 13.712 -4.314 1.00 72.31 C ATOM 1549 C THR A 104 -0.267 12.965 -4.202 1.00 23.34 C ATOM 1550 O THR A 104 -1.327 13.583 -4.131 1.00 52.51 O ATOM 1551 CB THR A 104 1.486 13.812 -5.798 1.00 53.21 C ATOM 1552 OG1 THR A 104 2.885 14.111 -5.890 1.00 20.33 O ATOM 1553 CG2 THR A 104 0.695 14.888 -6.527 1.00 0.31 C ATOM 0 H THR A 104 2.689 12.404 -4.102 1.00 61.22 H new ATOM 0 HA THR A 104 0.952 14.716 -3.908 1.00 72.31 H new ATOM 0 HB THR A 104 1.275 12.852 -6.269 1.00 53.21 H new ATOM 0 HG1 THR A 104 3.145 14.172 -6.833 1.00 20.33 H new ATOM 0 HG21 THR A 104 1.013 14.931 -7.569 1.00 0.31 H new ATOM 0 HG22 THR A 104 -0.368 14.652 -6.482 1.00 0.31 H new ATOM 0 HG23 THR A 104 0.873 15.854 -6.054 1.00 0.31 H new ATOM 1561 N ILE A 105 -0.195 11.635 -4.166 1.00 74.11 N ATOM 1562 CA ILE A 105 -1.377 10.795 -4.027 1.00 71.13 C ATOM 1563 C ILE A 105 -1.647 10.559 -2.527 1.00 14.41 C ATOM 1564 O ILE A 105 -0.709 10.540 -1.720 1.00 62.02 O ATOM 1565 CB ILE A 105 -1.201 9.479 -4.872 1.00 5.00 C ATOM 1566 CG1 ILE A 105 -2.506 8.638 -4.995 1.00 74.11 C ATOM 1567 CG2 ILE A 105 -0.029 8.639 -4.380 1.00 73.43 C ATOM 1568 CD1 ILE A 105 -2.737 7.554 -3.945 1.00 54.53 C ATOM 0 H ILE A 105 0.680 11.115 -4.232 1.00 74.11 H new ATOM 0 HA ILE A 105 -2.264 11.284 -4.430 1.00 71.13 H new ATOM 0 HB ILE A 105 -0.967 9.810 -5.884 1.00 5.00 H new ATOM 0 HG12 ILE A 105 -3.354 9.323 -4.966 1.00 74.11 H new ATOM 0 HG13 ILE A 105 -2.512 8.165 -5.977 1.00 74.11 H new ATOM 0 HG21 ILE A 105 0.056 7.740 -4.991 1.00 73.43 H new ATOM 0 HG22 ILE A 105 0.891 9.218 -4.456 1.00 73.43 H new ATOM 0 HG23 ILE A 105 -0.195 8.357 -3.340 1.00 73.43 H new ATOM 0 HD11 ILE A 105 -3.680 7.046 -4.148 1.00 54.53 H new ATOM 0 HD12 ILE A 105 -1.921 6.832 -3.981 1.00 54.53 H new ATOM 0 HD13 ILE A 105 -2.776 8.009 -2.955 1.00 54.53 H new ATOM 1580 N LYS A 106 -2.938 10.476 -2.176 1.00 25.22 N ATOM 1581 CA LYS A 106 -3.398 10.320 -0.790 1.00 51.33 C ATOM 1582 C LYS A 106 -2.824 9.084 -0.085 1.00 41.12 C ATOM 1583 O LYS A 106 -2.943 7.950 -0.544 1.00 51.35 O ATOM 1584 CB LYS A 106 -4.939 10.323 -0.703 1.00 4.01 C ATOM 1585 CG LYS A 106 -5.670 9.249 -1.518 1.00 24.42 C ATOM 1586 CD LYS A 106 -5.927 9.675 -2.958 1.00 41.24 C ATOM 1587 CE LYS A 106 -6.877 8.724 -3.668 1.00 20.43 C ATOM 1588 NZ LYS A 106 -8.221 8.732 -3.032 1.00 33.45 N ATOM 0 H LYS A 106 -3.699 10.516 -2.854 1.00 25.22 H new ATOM 0 HA LYS A 106 -3.011 11.188 -0.257 1.00 51.33 H new ATOM 0 HB2 LYS A 106 -5.222 10.210 0.343 1.00 4.01 H new ATOM 0 HB3 LYS A 106 -5.298 11.300 -1.026 1.00 4.01 H new ATOM 0 HG2 LYS A 106 -5.080 8.332 -1.515 1.00 24.42 H new ATOM 0 HG3 LYS A 106 -6.620 9.018 -1.037 1.00 24.42 H new ATOM 0 HD2 LYS A 106 -6.345 10.682 -2.970 1.00 41.24 H new ATOM 0 HD3 LYS A 106 -4.982 9.715 -3.499 1.00 41.24 H new ATOM 0 HE2 LYS A 106 -6.966 9.010 -4.716 1.00 20.43 H new ATOM 0 HE3 LYS A 106 -6.468 7.714 -3.647 1.00 20.43 H new ATOM 0 HZ1 LYS A 106 -8.906 8.269 -3.663 1.00 33.45 H new ATOM 0 HZ2 LYS A 106 -8.180 8.219 -2.128 1.00 33.45 H new ATOM 0 HZ3 LYS A 106 -8.518 9.714 -2.860 1.00 33.45 H new ATOM 1602 N VAL A 107 -2.239 9.356 1.073 1.00 1.22 N ATOM 1603 CA VAL A 107 -1.537 8.375 1.902 1.00 74.32 C ATOM 1604 C VAL A 107 -2.529 7.604 2.807 1.00 5.52 C ATOM 1605 O VAL A 107 -2.179 6.590 3.424 1.00 65.33 O ATOM 1606 CB VAL A 107 -0.462 9.120 2.757 1.00 22.12 C ATOM 1607 CG1 VAL A 107 0.366 8.188 3.610 1.00 73.20 C ATOM 1608 CG2 VAL A 107 0.471 9.916 1.872 1.00 51.31 C ATOM 0 H VAL A 107 -2.237 10.292 1.477 1.00 1.22 H new ATOM 0 HA VAL A 107 -1.048 7.640 1.262 1.00 74.32 H new ATOM 0 HB VAL A 107 -1.019 9.782 3.420 1.00 22.12 H new ATOM 0 HG11 VAL A 107 1.094 8.766 4.179 1.00 73.20 H new ATOM 0 HG12 VAL A 107 -0.286 7.648 4.297 1.00 73.20 H new ATOM 0 HG13 VAL A 107 0.888 7.477 2.970 1.00 73.20 H new ATOM 0 HG21 VAL A 107 1.211 10.426 2.489 1.00 51.31 H new ATOM 0 HG22 VAL A 107 0.977 9.244 1.179 1.00 51.31 H new ATOM 0 HG23 VAL A 107 -0.102 10.653 1.309 1.00 51.31 H new ATOM 1618 N LYS A 108 -3.788 8.073 2.845 1.00 74.54 N ATOM 1619 CA LYS A 108 -4.838 7.476 3.684 1.00 63.11 C ATOM 1620 C LYS A 108 -5.100 6.006 3.332 1.00 70.31 C ATOM 1621 O LYS A 108 -5.437 5.222 4.208 1.00 30.35 O ATOM 1622 CB LYS A 108 -6.137 8.281 3.563 1.00 21.54 C ATOM 1623 CG LYS A 108 -6.715 8.741 4.903 1.00 15.44 C ATOM 1624 CD LYS A 108 -7.268 7.594 5.747 1.00 71.33 C ATOM 1625 CE LYS A 108 -8.564 7.045 5.170 1.00 22.44 C ATOM 1626 NZ LYS A 108 -9.125 5.944 5.980 1.00 12.15 N ATOM 0 H LYS A 108 -4.104 8.873 2.297 1.00 74.54 H new ATOM 0 HA LYS A 108 -4.482 7.508 4.714 1.00 63.11 H new ATOM 0 HB2 LYS A 108 -5.953 9.156 2.940 1.00 21.54 H new ATOM 0 HB3 LYS A 108 -6.881 7.674 3.048 1.00 21.54 H new ATOM 0 HG2 LYS A 108 -5.939 9.257 5.468 1.00 15.44 H new ATOM 0 HG3 LYS A 108 -7.510 9.464 4.719 1.00 15.44 H new ATOM 0 HD2 LYS A 108 -6.528 6.795 5.805 1.00 71.33 H new ATOM 0 HD3 LYS A 108 -7.442 7.942 6.765 1.00 71.33 H new ATOM 0 HE2 LYS A 108 -9.296 7.850 5.101 1.00 22.44 H new ATOM 0 HE3 LYS A 108 -8.384 6.690 4.155 1.00 22.44 H new ATOM 0 HZ1 LYS A 108 -10.123 5.799 5.726 1.00 12.15 H new ATOM 0 HZ2 LYS A 108 -8.591 5.071 5.796 1.00 12.15 H new ATOM 0 HZ3 LYS A 108 -9.057 6.186 6.989 1.00 12.15 H new ATOM 1640 N LYS A 109 -4.916 5.646 2.060 1.00 24.31 N ATOM 1641 CA LYS A 109 -5.082 4.268 1.613 1.00 60.12 C ATOM 1642 C LYS A 109 -3.897 3.383 2.049 1.00 62.35 C ATOM 1643 O LYS A 109 -4.099 2.235 2.426 1.00 34.01 O ATOM 1644 CB LYS A 109 -5.242 4.247 0.089 1.00 43.52 C ATOM 1645 CG LYS A 109 -5.871 2.969 -0.470 1.00 21.44 C ATOM 1646 CD LYS A 109 -7.399 2.993 -0.504 1.00 64.10 C ATOM 1647 CE LYS A 109 -8.032 2.863 0.874 1.00 32.04 C ATOM 1648 NZ LYS A 109 -9.511 2.819 0.795 1.00 24.11 N ATOM 0 H LYS A 109 -4.651 6.296 1.320 1.00 24.31 H new ATOM 0 HA LYS A 109 -5.977 3.857 2.079 1.00 60.12 H new ATOM 0 HB2 LYS A 109 -5.854 5.098 -0.210 1.00 43.52 H new ATOM 0 HB3 LYS A 109 -4.262 4.383 -0.368 1.00 43.52 H new ATOM 0 HG2 LYS A 109 -5.498 2.804 -1.481 1.00 21.44 H new ATOM 0 HG3 LYS A 109 -5.544 2.122 0.133 1.00 21.44 H new ATOM 0 HD2 LYS A 109 -7.731 3.924 -0.963 1.00 64.10 H new ATOM 0 HD3 LYS A 109 -7.755 2.181 -1.138 1.00 64.10 H new ATOM 0 HE2 LYS A 109 -7.666 1.958 1.359 1.00 32.04 H new ATOM 0 HE3 LYS A 109 -7.726 3.704 1.496 1.00 32.04 H new ATOM 0 HZ1 LYS A 109 -9.907 2.730 1.752 1.00 24.11 H new ATOM 0 HZ2 LYS A 109 -9.861 3.694 0.355 1.00 24.11 H new ATOM 0 HZ3 LYS A 109 -9.804 2.002 0.222 1.00 24.11 H new ATOM 1662 N PHE A 110 -2.681 3.954 2.032 1.00 53.40 N ATOM 1663 CA PHE A 110 -1.451 3.244 2.423 1.00 11.04 C ATOM 1664 C PHE A 110 -1.505 2.755 3.873 1.00 41.44 C ATOM 1665 O PHE A 110 -1.342 1.568 4.127 1.00 25.42 O ATOM 1666 CB PHE A 110 -0.223 4.162 2.227 1.00 31.21 C ATOM 1667 CG PHE A 110 1.085 3.568 2.678 1.00 2.12 C ATOM 1668 CD1 PHE A 110 1.751 2.638 1.901 1.00 54.34 C ATOM 1669 CD2 PHE A 110 1.630 3.933 3.896 1.00 33.42 C ATOM 1670 CE1 PHE A 110 2.940 2.086 2.336 1.00 61.14 C ATOM 1671 CE2 PHE A 110 2.813 3.391 4.332 1.00 44.33 C ATOM 1672 CZ PHE A 110 3.466 2.461 3.558 1.00 64.41 C ATOM 0 H PHE A 110 -2.523 4.920 1.747 1.00 53.40 H new ATOM 0 HA PHE A 110 -1.363 2.368 1.781 1.00 11.04 H new ATOM 0 HB2 PHE A 110 -0.144 4.420 1.171 1.00 31.21 H new ATOM 0 HB3 PHE A 110 -0.391 5.092 2.771 1.00 31.21 H new ATOM 0 HD1 PHE A 110 1.339 2.341 0.948 1.00 54.34 H new ATOM 0 HD2 PHE A 110 1.117 4.655 4.513 1.00 33.42 H new ATOM 0 HE1 PHE A 110 3.458 1.363 1.723 1.00 61.14 H new ATOM 0 HE2 PHE A 110 3.230 3.694 5.281 1.00 44.33 H new ATOM 0 HZ PHE A 110 4.390 2.023 3.905 1.00 64.41 H new ATOM 1682 N PHE A 111 -1.729 3.680 4.807 1.00 20.51 N ATOM 1683 CA PHE A 111 -1.743 3.354 6.233 1.00 51.40 C ATOM 1684 C PHE A 111 -2.974 2.531 6.625 1.00 24.11 C ATOM 1685 O PHE A 111 -2.918 1.760 7.574 1.00 33.51 O ATOM 1686 CB PHE A 111 -1.641 4.620 7.080 1.00 53.24 C ATOM 1687 CG PHE A 111 -0.226 5.132 7.248 1.00 52.14 C ATOM 1688 CD1 PHE A 111 0.587 4.642 8.259 1.00 63.24 C ATOM 1689 CD2 PHE A 111 0.282 6.111 6.415 1.00 60.44 C ATOM 1690 CE1 PHE A 111 1.873 5.115 8.431 1.00 31.54 C ATOM 1691 CE2 PHE A 111 1.572 6.588 6.582 1.00 34.33 C ATOM 1692 CZ PHE A 111 2.365 6.089 7.591 1.00 74.44 C ATOM 0 H PHE A 111 -1.904 4.663 4.600 1.00 20.51 H new ATOM 0 HA PHE A 111 -0.868 2.735 6.430 1.00 51.40 H new ATOM 0 HB2 PHE A 111 -2.248 5.401 6.623 1.00 53.24 H new ATOM 0 HB3 PHE A 111 -2.065 4.422 8.065 1.00 53.24 H new ATOM 0 HD1 PHE A 111 0.208 3.878 8.922 1.00 63.24 H new ATOM 0 HD2 PHE A 111 -0.335 6.510 5.623 1.00 60.44 H new ATOM 0 HE1 PHE A 111 2.492 4.721 9.223 1.00 31.54 H new ATOM 0 HE2 PHE A 111 1.956 7.351 5.921 1.00 34.33 H new ATOM 0 HZ PHE A 111 3.370 6.461 7.723 1.00 74.44 H new ATOM 1702 N ASP A 112 -4.064 2.688 5.863 1.00 42.12 N ATOM 1703 CA ASP A 112 -5.299 1.915 6.058 1.00 11.32 C ATOM 1704 C ASP A 112 -5.038 0.424 5.872 1.00 63.33 C ATOM 1705 O ASP A 112 -5.391 -0.408 6.712 1.00 1.52 O ATOM 1706 CB ASP A 112 -6.333 2.334 5.018 1.00 61.43 C ATOM 1707 CG ASP A 112 -7.750 2.191 5.498 1.00 2.32 C ATOM 1708 OD1 ASP A 112 -8.276 3.162 6.075 1.00 44.53 O ATOM 1709 OD2 ASP A 112 -8.355 1.125 5.282 1.00 64.23 O ATOM 0 H ASP A 112 -4.115 3.355 5.093 1.00 42.12 H new ATOM 0 HA ASP A 112 -5.659 2.106 7.069 1.00 11.32 H new ATOM 0 HB2 ASP A 112 -6.155 3.372 4.736 1.00 61.43 H new ATOM 0 HB3 ASP A 112 -6.199 1.732 4.119 1.00 61.43 H new ATOM 1714 N LEU A 113 -4.392 0.126 4.754 1.00 63.44 N ATOM 1715 CA LEU A 113 -4.108 -1.229 4.336 1.00 63.34 C ATOM 1716 C LEU A 113 -2.880 -1.811 5.038 1.00 61.04 C ATOM 1717 O LEU A 113 -2.732 -3.027 5.125 1.00 35.41 O ATOM 1718 CB LEU A 113 -3.962 -1.275 2.812 1.00 32.52 C ATOM 1719 CG LEU A 113 -5.259 -1.523 2.021 1.00 2.11 C ATOM 1720 CD1 LEU A 113 -5.954 -2.753 2.560 1.00 13.41 C ATOM 1721 CD2 LEU A 113 -6.205 -0.333 2.067 1.00 50.15 C ATOM 0 H LEU A 113 -4.047 0.834 4.105 1.00 63.44 H new ATOM 0 HA LEU A 113 -4.947 -1.859 4.631 1.00 63.34 H new ATOM 0 HB2 LEU A 113 -3.531 -0.331 2.479 1.00 32.52 H new ATOM 0 HB3 LEU A 113 -3.248 -2.059 2.558 1.00 32.52 H new ATOM 0 HG LEU A 113 -4.982 -1.674 0.978 1.00 2.11 H new ATOM 0 HD11 LEU A 113 -6.872 -2.927 1.999 1.00 13.41 H new ATOM 0 HD12 LEU A 113 -5.297 -3.617 2.458 1.00 13.41 H new ATOM 0 HD13 LEU A 113 -6.195 -2.603 3.612 1.00 13.41 H new ATOM 0 HD21 LEU A 113 -7.104 -0.560 1.494 1.00 50.15 H new ATOM 0 HD22 LEU A 113 -6.478 -0.125 3.102 1.00 50.15 H new ATOM 0 HD23 LEU A 113 -5.713 0.540 1.639 1.00 50.15 H new ATOM 1733 N ALA A 114 -2.007 -0.939 5.542 1.00 43.14 N ATOM 1734 CA ALA A 114 -0.889 -1.347 6.390 1.00 74.02 C ATOM 1735 C ALA A 114 -1.377 -1.941 7.723 1.00 54.23 C ATOM 1736 O ALA A 114 -0.734 -2.828 8.288 1.00 21.04 O ATOM 1737 CB ALA A 114 0.029 -0.165 6.634 1.00 24.40 C ATOM 0 H ALA A 114 -2.055 0.066 5.374 1.00 43.14 H new ATOM 0 HA ALA A 114 -0.335 -2.129 5.871 1.00 74.02 H new ATOM 0 HB1 ALA A 114 0.861 -0.475 7.267 1.00 24.40 H new ATOM 0 HB2 ALA A 114 0.414 0.200 5.682 1.00 24.40 H new ATOM 0 HB3 ALA A 114 -0.527 0.631 7.129 1.00 24.40 H new ATOM 1743 N GLN A 115 -2.531 -1.452 8.197 1.00 61.33 N ATOM 1744 CA GLN A 115 -3.184 -1.977 9.401 1.00 13.31 C ATOM 1745 C GLN A 115 -3.793 -3.359 9.150 1.00 14.35 C ATOM 1746 O GLN A 115 -3.768 -4.223 10.026 1.00 62.12 O ATOM 1747 CB GLN A 115 -4.277 -1.021 9.866 1.00 54.43 C ATOM 1748 CG GLN A 115 -3.749 0.242 10.513 1.00 21.11 C ATOM 1749 CD GLN A 115 -4.819 1.299 10.673 1.00 34.24 C ATOM 1750 OE1 GLN A 115 -5.539 1.329 11.666 1.00 14.02 O ATOM 1751 NE2 GLN A 115 -4.906 2.190 9.705 1.00 22.13 N ATOM 0 H GLN A 115 -3.036 -0.683 7.757 1.00 61.33 H new ATOM 0 HA GLN A 115 -2.422 -2.071 10.175 1.00 13.31 H new ATOM 0 HB2 GLN A 115 -4.896 -0.749 9.011 1.00 54.43 H new ATOM 0 HB3 GLN A 115 -4.922 -1.539 10.575 1.00 54.43 H new ATOM 0 HG2 GLN A 115 -3.333 -0.001 11.491 1.00 21.11 H new ATOM 0 HG3 GLN A 115 -2.934 0.642 9.910 1.00 21.11 H new ATOM 0 HE21 GLN A 115 -4.287 2.127 8.897 1.00 22.13 H new ATOM 0 HE22 GLN A 115 -5.592 2.942 9.764 1.00 22.13 H new ATOM 1760 N LYS A 116 -4.325 -3.559 7.938 1.00 30.32 N ATOM 1761 CA LYS A 116 -4.890 -4.841 7.516 1.00 71.01 C ATOM 1762 C LYS A 116 -3.821 -5.899 7.249 1.00 4.33 C ATOM 1763 O LYS A 116 -4.119 -7.093 7.201 1.00 53.33 O ATOM 1764 CB LYS A 116 -5.751 -4.669 6.282 1.00 25.03 C ATOM 1765 CG LYS A 116 -7.077 -3.997 6.546 1.00 54.14 C ATOM 1766 CD LYS A 116 -7.946 -4.026 5.307 1.00 45.02 C ATOM 1767 CE LYS A 116 -8.353 -5.452 4.923 1.00 64.55 C ATOM 1768 NZ LYS A 116 -9.059 -5.498 3.618 1.00 10.31 N ATOM 0 H LYS A 116 -4.375 -2.833 7.223 1.00 30.32 H new ATOM 0 HA LYS A 116 -5.503 -5.193 8.346 1.00 71.01 H new ATOM 0 HB2 LYS A 116 -5.200 -4.084 5.546 1.00 25.03 H new ATOM 0 HB3 LYS A 116 -5.934 -5.648 5.840 1.00 25.03 H new ATOM 0 HG2 LYS A 116 -7.588 -4.500 7.367 1.00 54.14 H new ATOM 0 HG3 LYS A 116 -6.912 -2.965 6.857 1.00 54.14 H new ATOM 0 HD2 LYS A 116 -8.841 -3.428 5.478 1.00 45.02 H new ATOM 0 HD3 LYS A 116 -7.409 -3.567 4.477 1.00 45.02 H new ATOM 0 HE2 LYS A 116 -7.465 -6.082 4.877 1.00 64.55 H new ATOM 0 HE3 LYS A 116 -8.998 -5.866 5.698 1.00 64.55 H new ATOM 0 HZ1 LYS A 116 -9.535 -6.417 3.513 1.00 10.31 H new ATOM 0 HZ2 LYS A 116 -9.765 -4.736 3.578 1.00 10.31 H new ATOM 0 HZ3 LYS A 116 -8.372 -5.374 2.847 1.00 10.31 H new ATOM 1782 N ALA A 117 -2.601 -5.460 6.957 1.00 34.42 N ATOM 1783 CA ALA A 117 -1.489 -6.378 6.774 1.00 52.43 C ATOM 1784 C ALA A 117 -1.128 -7.068 8.087 1.00 72.20 C ATOM 1785 O ALA A 117 -0.854 -8.252 8.104 1.00 74.13 O ATOM 1786 CB ALA A 117 -0.289 -5.650 6.200 1.00 51.03 C ATOM 0 H ALA A 117 -2.360 -4.475 6.843 1.00 34.42 H new ATOM 0 HA ALA A 117 -1.796 -7.147 6.065 1.00 52.43 H new ATOM 0 HB1 ALA A 117 0.534 -6.352 6.069 1.00 51.03 H new ATOM 0 HB2 ALA A 117 -0.553 -5.217 5.235 1.00 51.03 H new ATOM 0 HB3 ALA A 117 0.016 -4.856 6.882 1.00 51.03 H new ATOM 1792 N LEU A 118 -1.197 -6.337 9.192 1.00 60.45 N ATOM 1793 CA LEU A 118 -0.784 -6.866 10.491 1.00 72.44 C ATOM 1794 C LEU A 118 -1.979 -7.090 11.431 1.00 20.13 C ATOM 1795 O LEU A 118 -1.803 -7.178 12.646 1.00 22.11 O ATOM 1796 CB LEU A 118 0.192 -5.883 11.114 1.00 74.25 C ATOM 1797 CG LEU A 118 1.406 -5.601 10.257 1.00 2.31 C ATOM 1798 CD1 LEU A 118 1.773 -4.150 10.372 1.00 43.41 C ATOM 1799 CD2 LEU A 118 2.558 -6.489 10.670 1.00 21.33 C ATOM 0 H LEU A 118 -1.535 -5.375 9.218 1.00 60.45 H new ATOM 0 HA LEU A 118 -0.314 -7.838 10.341 1.00 72.44 H new ATOM 0 HB2 LEU A 118 -0.328 -4.945 11.311 1.00 74.25 H new ATOM 0 HB3 LEU A 118 0.521 -6.273 12.077 1.00 74.25 H new ATOM 0 HG LEU A 118 1.174 -5.820 9.215 1.00 2.31 H new ATOM 0 HD11 LEU A 118 2.648 -3.946 9.755 1.00 43.41 H new ATOM 0 HD12 LEU A 118 0.939 -3.536 10.033 1.00 43.41 H new ATOM 0 HD13 LEU A 118 1.999 -3.913 11.412 1.00 43.41 H new ATOM 0 HD21 LEU A 118 3.425 -6.275 10.045 1.00 21.33 H new ATOM 0 HD22 LEU A 118 2.808 -6.299 11.714 1.00 21.33 H new ATOM 0 HD23 LEU A 118 2.273 -7.534 10.550 1.00 21.33 H new ATOM 1811 N LYS A 119 -3.180 -7.215 10.848 1.00 21.13 N ATOM 1812 CA LYS A 119 -4.444 -7.303 11.614 1.00 50.42 C ATOM 1813 C LYS A 119 -4.528 -8.546 12.521 1.00 63.31 C ATOM 1814 O LYS A 119 -5.007 -8.460 13.648 1.00 42.45 O ATOM 1815 CB LYS A 119 -5.659 -7.179 10.661 1.00 32.41 C ATOM 1816 CG LYS A 119 -5.759 -8.221 9.528 1.00 73.42 C ATOM 1817 CD LYS A 119 -6.623 -9.423 9.874 1.00 70.23 C ATOM 1818 CE LYS A 119 -8.061 -9.034 10.177 1.00 64.41 C ATOM 1819 NZ LYS A 119 -8.896 -10.219 10.494 1.00 61.43 N ATOM 0 H LYS A 119 -3.309 -7.258 9.837 1.00 21.13 H new ATOM 0 HA LYS A 119 -4.463 -6.458 12.303 1.00 50.42 H new ATOM 0 HB2 LYS A 119 -6.568 -7.238 11.259 1.00 32.41 H new ATOM 0 HB3 LYS A 119 -5.638 -6.187 10.210 1.00 32.41 H new ATOM 0 HG2 LYS A 119 -6.164 -7.739 8.638 1.00 73.42 H new ATOM 0 HG3 LYS A 119 -4.757 -8.567 9.275 1.00 73.42 H new ATOM 0 HD2 LYS A 119 -6.608 -10.129 9.044 1.00 70.23 H new ATOM 0 HD3 LYS A 119 -6.199 -9.936 10.737 1.00 70.23 H new ATOM 0 HE2 LYS A 119 -8.081 -8.340 11.017 1.00 64.41 H new ATOM 0 HE3 LYS A 119 -8.484 -8.510 9.320 1.00 64.41 H new ATOM 0 HZ1 LYS A 119 -9.701 -9.928 11.084 1.00 61.43 H new ATOM 0 HZ2 LYS A 119 -9.248 -10.642 9.611 1.00 61.43 H new ATOM 0 HZ3 LYS A 119 -8.324 -10.919 11.009 1.00 61.43 H new ATOM 1833 N ASP A 120 -4.053 -9.684 12.034 1.00 74.52 N ATOM 1834 CA ASP A 120 -3.928 -10.880 12.869 1.00 40.51 C ATOM 1835 C ASP A 120 -2.469 -11.152 13.204 1.00 72.44 C ATOM 1836 O ASP A 120 -2.170 -11.899 14.135 1.00 20.15 O ATOM 1837 CB ASP A 120 -4.520 -12.113 12.183 1.00 71.30 C ATOM 1838 CG ASP A 120 -5.942 -12.401 12.609 1.00 64.21 C ATOM 1839 OD1 ASP A 120 -6.129 -13.105 13.621 1.00 62.34 O ATOM 1840 OD2 ASP A 120 -6.878 -11.942 11.924 1.00 45.31 O ATOM 0 H ASP A 120 -3.748 -9.809 11.069 1.00 74.52 H new ATOM 0 HA ASP A 120 -4.486 -10.688 13.785 1.00 40.51 H new ATOM 0 HB2 ASP A 120 -4.492 -11.969 11.103 1.00 71.30 H new ATOM 0 HB3 ASP A 120 -3.897 -12.980 12.405 1.00 71.30 H new ATOM 1845 N ALA A 121 -1.581 -10.506 12.424 1.00 53.24 N ATOM 1846 CA ALA A 121 -0.123 -10.736 12.419 1.00 33.03 C ATOM 1847 C ALA A 121 0.271 -12.206 12.146 1.00 11.41 C ATOM 1848 O ALA A 121 1.397 -12.622 12.418 1.00 73.41 O ATOM 1849 CB ALA A 121 0.522 -10.192 13.683 1.00 12.41 C ATOM 0 H ALA A 121 -1.867 -9.787 11.759 1.00 53.24 H new ATOM 0 HA ALA A 121 0.273 -10.175 11.573 1.00 33.03 H new ATOM 0 HB1 ALA A 121 1.596 -10.376 13.651 1.00 12.41 H new ATOM 0 HB2 ALA A 121 0.339 -9.120 13.752 1.00 12.41 H new ATOM 0 HB3 ALA A 121 0.094 -10.690 14.553 1.00 12.41 H new ATOM 1855 N GLU A 122 -0.653 -12.961 11.562 1.00 21.42 N ATOM 1856 CA GLU A 122 -0.393 -14.308 11.089 1.00 25.13 C ATOM 1857 C GLU A 122 -1.009 -14.458 9.710 1.00 44.13 C ATOM 1858 O GLU A 122 -2.194 -14.778 9.580 1.00 64.33 O ATOM 1859 CB GLU A 122 -0.976 -15.376 12.026 1.00 45.41 C ATOM 1860 CG GLU A 122 -0.370 -15.408 13.416 1.00 12.14 C ATOM 1861 CD GLU A 122 -0.964 -16.507 14.264 1.00 11.34 C ATOM 1862 OE1 GLU A 122 -0.443 -17.640 14.225 1.00 63.43 O ATOM 1863 OE2 GLU A 122 -1.951 -16.243 14.980 1.00 44.24 O ATOM 0 H GLU A 122 -1.611 -12.649 11.404 1.00 21.42 H new ATOM 0 HA GLU A 122 0.686 -14.458 11.058 1.00 25.13 H new ATOM 0 HB2 GLU A 122 -2.049 -15.211 12.118 1.00 45.41 H new ATOM 0 HB3 GLU A 122 -0.842 -16.355 11.565 1.00 45.41 H new ATOM 0 HG2 GLU A 122 0.708 -15.551 13.339 1.00 12.14 H new ATOM 0 HG3 GLU A 122 -0.530 -14.446 13.904 1.00 12.14 H new ATOM 1870 N LYS A 123 -0.227 -14.142 8.688 1.00 43.02 N ATOM 1871 CA LYS A 123 -0.686 -14.226 7.304 1.00 22.43 C ATOM 1872 C LYS A 123 0.316 -15.074 6.512 1.00 72.04 C ATOM 1873 O LYS A 123 1.073 -15.832 7.125 1.00 15.43 O ATOM 1874 CB LYS A 123 -0.878 -12.811 6.705 1.00 3.24 C ATOM 1875 CG LYS A 123 -1.855 -11.950 7.516 1.00 42.21 C ATOM 1876 CD LYS A 123 -2.329 -10.697 6.798 1.00 2.15 C ATOM 1877 CE LYS A 123 -3.393 -10.998 5.762 1.00 25.55 C ATOM 1878 NZ LYS A 123 -3.979 -9.755 5.200 1.00 64.15 N ATOM 0 H LYS A 123 0.736 -13.822 8.790 1.00 43.02 H new ATOM 0 HA LYS A 123 -1.662 -14.709 7.253 1.00 22.43 H new ATOM 0 HB2 LYS A 123 0.088 -12.308 6.656 1.00 3.24 H new ATOM 0 HB3 LYS A 123 -1.243 -12.901 5.682 1.00 3.24 H new ATOM 0 HG2 LYS A 123 -2.723 -12.555 7.778 1.00 42.21 H new ATOM 0 HG3 LYS A 123 -1.375 -11.660 8.451 1.00 42.21 H new ATOM 0 HD2 LYS A 123 -2.724 -9.990 7.527 1.00 2.15 H new ATOM 0 HD3 LYS A 123 -1.480 -10.214 6.314 1.00 2.15 H new ATOM 0 HE2 LYS A 123 -2.960 -11.592 4.957 1.00 25.55 H new ATOM 0 HE3 LYS A 123 -4.181 -11.600 6.214 1.00 25.55 H new ATOM 0 HZ1 LYS A 123 -4.869 -9.981 4.711 1.00 64.15 H new ATOM 0 HZ2 LYS A 123 -4.168 -9.082 5.970 1.00 64.15 H new ATOM 0 HZ3 LYS A 123 -3.311 -9.331 4.525 1.00 64.15 H new