USER MOD reduce.3.24.130724 H: found=0, std=0, add=1076, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 1077 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 96 TYR OH : rot 166:sc= 0.872 USER MOD Set 1.2: A 100 LYS NZ :NH3+ 164:sc= 1.01 (180deg=0.041) USER MOD Set 2.1: A 10 ASN : amide:sc= 0.151 K(o=-0.13,f=-1.4) USER MOD Set 2.2: A 87 GLN : amide:sc= 0.111 K(o=-0.13,f=-1.9) USER MOD Set 2.3: A 89 GLN :FLIP amide:sc= -0.39 F(o=-2.6!,f=-0.13) USER MOD Single : A 3 THR OG1 : rot 158:sc= 0.485 USER MOD Single : A 9 SER OG : rot 86:sc= 0.583 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot -73:sc= 0.269 USER MOD Single : A 28 ASN : amide:sc= -0.6 X(o=-0.6,f=-0.13) USER MOD Single : A 30 LYS NZ :NH3+ 163:sc= -0.0233 (180deg=-0.298) USER MOD Single : A 31 THR OG1 : rot 36:sc= 0.275 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -141:sc= 0.706 (180deg=0.101) USER MOD Single : A 46 LYS NZ :NH3+ 165:sc= 0.72 (180deg=0.589) USER MOD Single : A 49 LYS NZ :NH3+ 163:sc= -0.0283 (180deg=-0.309) USER MOD Single : A 50 GLN : amide:sc= -0.0251 X(o=-0.025,f=-0.21) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= -0.272 USER MOD Single : A 74 GLN : amide:sc= 0.315 K(o=0.31,f=-0.3) USER MOD Single : A 75 LYS NZ :NH3+ 172:sc= -0.011 (180deg=-0.0982) USER MOD Single : A 84 LYS NZ :NH3+ 177:sc= 1.07 (180deg=1.01) USER MOD Single : A 98 GLN : amide:sc= -0.134 X(o=-0.13,f=-0.5) USER MOD Single : A 101 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0509) USER MOD Single : A 109 THR OG1 : rot 106:sc= -0.611 USER MOD Single : A 111 ASN : amide:sc= 0.082 K(o=0.082,f=-7.6!) USER MOD Single : A 116 LYS NZ :NH3+ 155:sc= 0.791 (180deg=0.424) USER MOD Single : A 117 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0156) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 LYS NZ :NH3+ 170:sc= 0.101 (180deg=0.000247) USER MOD ----------------------------------------------------------------- ATOM 20 N GLY A 2 -1.277 -13.634 0.130 1.00 64.43 N ATOM 21 CA GLY A 2 -0.214 -12.633 0.081 1.00 14.54 C ATOM 22 C GLY A 2 -0.612 -11.438 -0.764 1.00 32.21 C ATOM 23 O GLY A 2 -0.195 -11.313 -1.921 1.00 52.13 O ATOM 0 HA2 GLY A 2 0.022 -12.302 1.092 1.00 14.54 H new ATOM 0 HA3 GLY A 2 0.691 -13.082 -0.327 1.00 14.54 H new ATOM 27 N THR A 3 -1.468 -10.582 -0.199 1.00 73.54 N ATOM 28 CA THR A 3 -1.925 -9.339 -0.842 1.00 52.02 C ATOM 29 C THR A 3 -1.298 -8.122 -0.128 1.00 22.14 C ATOM 30 O THR A 3 -1.487 -7.927 1.077 1.00 21.23 O ATOM 31 CB THR A 3 -3.491 -9.263 -0.825 1.00 14.54 C ATOM 32 OG1 THR A 3 -3.983 -9.672 0.461 1.00 24.33 O ATOM 33 CG2 THR A 3 -4.132 -10.145 -1.920 1.00 3.33 C ATOM 0 H THR A 3 -1.869 -10.731 0.727 1.00 73.54 H new ATOM 0 HA THR A 3 -1.602 -9.330 -1.883 1.00 52.02 H new ATOM 0 HB THR A 3 -3.767 -8.228 -1.026 1.00 14.54 H new ATOM 0 HG1 THR A 3 -4.880 -9.303 0.600 1.00 24.33 H new ATOM 0 HG21 THR A 3 -5.217 -10.059 -1.868 1.00 3.33 H new ATOM 0 HG22 THR A 3 -3.789 -9.815 -2.900 1.00 3.33 H new ATOM 0 HG23 THR A 3 -3.843 -11.185 -1.765 1.00 3.33 H new ATOM 41 N VAL A 4 -0.535 -7.322 -0.888 1.00 73.23 N ATOM 42 CA VAL A 4 0.164 -6.136 -0.374 1.00 11.45 C ATOM 43 C VAL A 4 -0.559 -4.899 -0.921 1.00 13.15 C ATOM 44 O VAL A 4 -0.579 -4.682 -2.140 1.00 14.25 O ATOM 45 CB VAL A 4 1.686 -6.125 -0.820 1.00 42.43 C ATOM 46 CG1 VAL A 4 2.463 -4.955 -0.164 1.00 63.23 C ATOM 47 CG2 VAL A 4 2.367 -7.490 -0.534 1.00 25.54 C ATOM 0 H VAL A 4 -0.385 -7.482 -1.884 1.00 73.23 H new ATOM 0 HA VAL A 4 0.150 -6.143 0.716 1.00 11.45 H new ATOM 0 HB VAL A 4 1.710 -5.965 -1.898 1.00 42.43 H new ATOM 0 HG11 VAL A 4 3.502 -4.979 -0.492 1.00 63.23 H new ATOM 0 HG12 VAL A 4 2.011 -4.008 -0.458 1.00 63.23 H new ATOM 0 HG13 VAL A 4 2.423 -5.054 0.921 1.00 63.23 H new ATOM 0 HG21 VAL A 4 3.409 -7.450 -0.851 1.00 25.54 H new ATOM 0 HG22 VAL A 4 2.320 -7.703 0.534 1.00 25.54 H new ATOM 0 HG23 VAL A 4 1.850 -8.277 -1.084 1.00 25.54 H new ATOM 57 N VAL A 5 -1.170 -4.107 -0.026 1.00 42.31 N ATOM 58 CA VAL A 5 -1.904 -2.887 -0.398 1.00 30.43 C ATOM 59 C VAL A 5 -1.223 -1.666 0.262 1.00 22.13 C ATOM 60 O VAL A 5 -1.181 -1.533 1.479 1.00 43.11 O ATOM 61 CB VAL A 5 -3.451 -2.996 -0.043 1.00 13.03 C ATOM 62 CG1 VAL A 5 -4.128 -4.120 -0.861 1.00 5.40 C ATOM 63 CG2 VAL A 5 -3.713 -3.221 1.461 1.00 52.42 C ATOM 0 H VAL A 5 -1.169 -4.294 0.977 1.00 42.31 H new ATOM 0 HA VAL A 5 -1.864 -2.758 -1.480 1.00 30.43 H new ATOM 0 HB VAL A 5 -3.888 -2.033 -0.309 1.00 13.03 H new ATOM 0 HG11 VAL A 5 -5.185 -4.174 -0.600 1.00 5.40 H new ATOM 0 HG12 VAL A 5 -4.028 -3.907 -1.925 1.00 5.40 H new ATOM 0 HG13 VAL A 5 -3.649 -5.073 -0.635 1.00 5.40 H new ATOM 0 HG21 VAL A 5 -4.787 -3.287 1.637 1.00 52.42 H new ATOM 0 HG22 VAL A 5 -3.236 -4.148 1.779 1.00 52.42 H new ATOM 0 HG23 VAL A 5 -3.302 -2.388 2.031 1.00 52.42 H new ATOM 73 N ILE A 6 -0.636 -0.794 -0.567 1.00 62.51 N ATOM 74 CA ILE A 6 0.159 0.348 -0.105 1.00 53.43 C ATOM 75 C ILE A 6 -0.733 1.602 -0.122 1.00 4.33 C ATOM 76 O ILE A 6 -1.054 2.109 -1.193 1.00 4.40 O ATOM 77 CB ILE A 6 1.453 0.581 -1.008 1.00 23.54 C ATOM 78 CG1 ILE A 6 2.357 -0.710 -1.131 1.00 24.30 C ATOM 79 CG2 ILE A 6 2.293 1.769 -0.465 1.00 65.32 C ATOM 80 CD1 ILE A 6 1.870 -1.779 -2.110 1.00 14.54 C ATOM 0 H ILE A 6 -0.700 -0.862 -1.583 1.00 62.51 H new ATOM 0 HA ILE A 6 0.511 0.142 0.906 1.00 53.43 H new ATOM 0 HB ILE A 6 1.093 0.817 -2.009 1.00 23.54 H new ATOM 0 HG12 ILE A 6 3.358 -0.401 -1.430 1.00 24.30 H new ATOM 0 HG13 ILE A 6 2.445 -1.163 -0.144 1.00 24.30 H new ATOM 0 HG21 ILE A 6 3.171 1.912 -1.095 1.00 65.32 H new ATOM 0 HG22 ILE A 6 1.689 2.676 -0.474 1.00 65.32 H new ATOM 0 HG23 ILE A 6 2.610 1.554 0.556 1.00 65.32 H new ATOM 0 HD11 ILE A 6 2.568 -2.616 -2.111 1.00 14.54 H new ATOM 0 HD12 ILE A 6 0.884 -2.129 -1.806 1.00 14.54 H new ATOM 0 HD13 ILE A 6 1.811 -1.355 -3.112 1.00 14.54 H new ATOM 92 N VAL A 7 -1.133 2.089 1.065 1.00 45.11 N ATOM 93 CA VAL A 7 -1.948 3.303 1.185 1.00 61.12 C ATOM 94 C VAL A 7 -1.019 4.517 1.191 1.00 71.10 C ATOM 95 O VAL A 7 -0.222 4.714 2.116 1.00 30.54 O ATOM 96 CB VAL A 7 -2.836 3.307 2.482 1.00 73.14 C ATOM 97 CG1 VAL A 7 -3.638 4.630 2.629 1.00 75.33 C ATOM 98 CG2 VAL A 7 -3.776 2.094 2.493 1.00 32.20 C ATOM 0 H VAL A 7 -0.902 1.655 1.958 1.00 45.11 H new ATOM 0 HA VAL A 7 -2.629 3.338 0.335 1.00 61.12 H new ATOM 0 HB VAL A 7 -2.167 3.238 3.340 1.00 73.14 H new ATOM 0 HG11 VAL A 7 -4.239 4.592 3.538 1.00 75.33 H new ATOM 0 HG12 VAL A 7 -2.946 5.470 2.686 1.00 75.33 H new ATOM 0 HG13 VAL A 7 -4.292 4.757 1.767 1.00 75.33 H new ATOM 0 HG21 VAL A 7 -4.383 2.113 3.398 1.00 32.20 H new ATOM 0 HG22 VAL A 7 -4.426 2.130 1.619 1.00 32.20 H new ATOM 0 HG23 VAL A 7 -3.187 1.177 2.470 1.00 32.20 H new ATOM 108 N VAL A 8 -1.109 5.274 0.106 1.00 32.41 N ATOM 109 CA VAL A 8 -0.361 6.495 -0.121 1.00 10.23 C ATOM 110 C VAL A 8 -1.345 7.663 -0.202 1.00 64.35 C ATOM 111 O VAL A 8 -2.462 7.525 -0.732 1.00 51.34 O ATOM 112 CB VAL A 8 0.469 6.413 -1.451 1.00 22.35 C ATOM 113 CG1 VAL A 8 1.306 7.696 -1.675 1.00 75.54 C ATOM 114 CG2 VAL A 8 1.353 5.147 -1.471 1.00 43.11 C ATOM 0 H VAL A 8 -1.731 5.042 -0.669 1.00 32.41 H new ATOM 0 HA VAL A 8 0.338 6.640 0.703 1.00 10.23 H new ATOM 0 HB VAL A 8 -0.234 6.339 -2.281 1.00 22.35 H new ATOM 0 HG11 VAL A 8 1.868 7.606 -2.604 1.00 75.54 H new ATOM 0 HG12 VAL A 8 0.642 8.558 -1.735 1.00 75.54 H new ATOM 0 HG13 VAL A 8 1.998 7.829 -0.844 1.00 75.54 H new ATOM 0 HG21 VAL A 8 1.918 5.113 -2.402 1.00 43.11 H new ATOM 0 HG22 VAL A 8 2.044 5.172 -0.628 1.00 43.11 H new ATOM 0 HG23 VAL A 8 0.722 4.261 -1.397 1.00 43.11 H new ATOM 124 N SER A 9 -0.910 8.808 0.303 1.00 22.01 N ATOM 125 CA SER A 9 -1.696 10.034 0.319 1.00 14.52 C ATOM 126 C SER A 9 -0.752 11.232 0.390 1.00 10.42 C ATOM 127 O SER A 9 0.435 11.075 0.687 1.00 33.14 O ATOM 128 CB SER A 9 -2.669 10.018 1.514 1.00 35.13 C ATOM 129 OG SER A 9 -1.980 9.860 2.739 1.00 34.21 O ATOM 0 H SER A 9 0.015 8.914 0.720 1.00 22.01 H new ATOM 0 HA SER A 9 -2.288 10.110 -0.593 1.00 14.52 H new ATOM 0 HB2 SER A 9 -3.239 10.947 1.533 1.00 35.13 H new ATOM 0 HB3 SER A 9 -3.386 9.206 1.391 1.00 35.13 H new ATOM 0 HG SER A 9 -1.679 10.736 3.061 1.00 34.21 H new ATOM 135 N ASN A 10 -1.285 12.430 0.146 1.00 63.44 N ATOM 136 CA ASN A 10 -0.490 13.676 0.130 1.00 12.44 C ATOM 137 C ASN A 10 -0.483 14.343 1.525 1.00 21.50 C ATOM 138 O ASN A 10 -0.189 15.535 1.655 1.00 44.25 O ATOM 139 CB ASN A 10 -1.051 14.617 -0.978 1.00 62.40 C ATOM 140 CG ASN A 10 -0.959 13.985 -2.385 1.00 21.41 C ATOM 141 OD1 ASN A 10 -0.004 13.277 -2.703 1.00 55.12 O ATOM 142 ND2 ASN A 10 -1.958 14.208 -3.226 1.00 24.42 N ATOM 0 H ASN A 10 -2.276 12.572 -0.047 1.00 63.44 H new ATOM 0 HA ASN A 10 0.550 13.452 -0.105 1.00 12.44 H new ATOM 0 HB2 ASN A 10 -2.091 14.856 -0.757 1.00 62.40 H new ATOM 0 HB3 ASN A 10 -0.499 15.557 -0.967 1.00 62.40 H new ATOM 0 HD21 ASN A 10 -1.945 13.790 -4.156 1.00 24.42 H new ATOM 0 HD22 ASN A 10 -2.741 14.798 -2.943 1.00 24.42 H new ATOM 149 N ASP A 11 -0.756 13.534 2.576 1.00 20.34 N ATOM 150 CA ASP A 11 -0.737 13.977 3.981 1.00 11.31 C ATOM 151 C ASP A 11 -0.520 12.773 4.921 1.00 0.34 C ATOM 152 O ASP A 11 -0.683 11.618 4.519 1.00 51.31 O ATOM 153 CB ASP A 11 -2.039 14.738 4.336 1.00 70.12 C ATOM 154 CG ASP A 11 -1.986 15.411 5.719 1.00 32.50 C ATOM 155 OD1 ASP A 11 -1.229 16.394 5.879 1.00 21.04 O ATOM 156 OD2 ASP A 11 -2.677 14.955 6.651 1.00 23.44 O ATOM 0 H ASP A 11 -0.997 12.549 2.466 1.00 20.34 H new ATOM 0 HA ASP A 11 0.096 14.667 4.116 1.00 11.31 H new ATOM 0 HB2 ASP A 11 -2.228 15.496 3.576 1.00 70.12 H new ATOM 0 HB3 ASP A 11 -2.878 14.043 4.309 1.00 70.12 H new ATOM 161 N GLU A 12 -0.127 13.071 6.171 1.00 61.32 N ATOM 162 CA GLU A 12 0.164 12.071 7.205 1.00 32.40 C ATOM 163 C GLU A 12 -1.134 11.589 7.889 1.00 22.11 C ATOM 164 O GLU A 12 -1.345 10.393 8.030 1.00 71.10 O ATOM 165 CB GLU A 12 1.135 12.693 8.242 1.00 22.14 C ATOM 166 CG GLU A 12 2.412 13.300 7.619 1.00 20.02 C ATOM 167 CD GLU A 12 3.308 14.035 8.634 1.00 1.35 C ATOM 168 OE1 GLU A 12 2.819 14.988 9.274 1.00 32.32 O ATOM 169 OE2 GLU A 12 4.492 13.673 8.792 1.00 14.41 O ATOM 0 H GLU A 12 -0.001 14.030 6.494 1.00 61.32 H new ATOM 0 HA GLU A 12 0.631 11.200 6.745 1.00 32.40 H new ATOM 0 HB2 GLU A 12 0.609 13.470 8.797 1.00 22.14 H new ATOM 0 HB3 GLU A 12 1.423 11.926 8.961 1.00 22.14 H new ATOM 0 HG2 GLU A 12 2.989 12.504 7.148 1.00 20.02 H new ATOM 0 HG3 GLU A 12 2.125 13.996 6.830 1.00 20.02 H new ATOM 176 N ARG A 13 -2.006 12.539 8.285 1.00 35.33 N ATOM 177 CA ARG A 13 -3.253 12.246 9.054 1.00 35.53 C ATOM 178 C ARG A 13 -4.242 11.377 8.266 1.00 33.53 C ATOM 179 O ARG A 13 -5.056 10.681 8.878 1.00 11.11 O ATOM 180 CB ARG A 13 -3.954 13.569 9.509 1.00 55.12 C ATOM 181 CG ARG A 13 -3.619 14.074 10.942 1.00 11.23 C ATOM 182 CD ARG A 13 -2.156 13.857 11.384 1.00 2.33 C ATOM 183 NE ARG A 13 -1.138 14.335 10.425 1.00 15.50 N ATOM 184 CZ ARG A 13 -0.877 15.618 10.110 1.00 71.55 C ATOM 185 NH1 ARG A 13 -1.559 16.617 10.657 1.00 75.43 N ATOM 186 NH2 ARG A 13 0.102 15.899 9.266 1.00 50.34 N ATOM 0 H ARG A 13 -1.874 13.531 8.086 1.00 35.33 H new ATOM 0 HA ARG A 13 -2.946 11.680 9.933 1.00 35.53 H new ATOM 0 HB2 ARG A 13 -3.693 14.355 8.800 1.00 55.12 H new ATOM 0 HB3 ARG A 13 -5.032 13.425 9.441 1.00 55.12 H new ATOM 0 HG2 ARG A 13 -3.846 15.139 10.998 1.00 11.23 H new ATOM 0 HG3 ARG A 13 -4.276 13.570 11.651 1.00 11.23 H new ATOM 0 HD2 ARG A 13 -2.001 14.362 12.337 1.00 2.33 H new ATOM 0 HD3 ARG A 13 -1.999 12.793 11.558 1.00 2.33 H new ATOM 0 HE ARG A 13 -0.578 13.623 9.956 1.00 15.50 H new ATOM 0 HH11 ARG A 13 -2.299 16.421 11.331 1.00 75.43 H new ATOM 0 HH12 ARG A 13 -1.343 17.581 10.403 1.00 75.43 H new ATOM 0 HH21 ARG A 13 0.655 15.146 8.857 1.00 50.34 H new ATOM 0 HH22 ARG A 13 0.304 16.869 9.024 1.00 50.34 H new ATOM 200 N ILE A 14 -4.195 11.463 6.923 1.00 51.01 N ATOM 201 CA ILE A 14 -5.012 10.603 6.043 1.00 32.03 C ATOM 202 C ILE A 14 -4.660 9.113 6.293 1.00 42.42 C ATOM 203 O ILE A 14 -5.536 8.258 6.305 1.00 3.12 O ATOM 204 CB ILE A 14 -4.811 10.974 4.519 1.00 14.41 C ATOM 205 CG1 ILE A 14 -5.156 12.480 4.264 1.00 5.42 C ATOM 206 CG2 ILE A 14 -5.650 10.058 3.588 1.00 20.44 C ATOM 207 CD1 ILE A 14 -4.978 12.947 2.820 1.00 44.42 C ATOM 0 H ILE A 14 -3.598 12.121 6.422 1.00 51.01 H new ATOM 0 HA ILE A 14 -6.062 10.769 6.282 1.00 32.03 H new ATOM 0 HB ILE A 14 -3.760 10.812 4.281 1.00 14.41 H new ATOM 0 HG12 ILE A 14 -6.189 12.656 4.562 1.00 5.42 H new ATOM 0 HG13 ILE A 14 -4.529 13.095 4.909 1.00 5.42 H new ATOM 0 HG21 ILE A 14 -5.484 10.345 2.550 1.00 20.44 H new ATOM 0 HG22 ILE A 14 -5.348 9.020 3.730 1.00 20.44 H new ATOM 0 HG23 ILE A 14 -6.708 10.165 3.830 1.00 20.44 H new ATOM 0 HD11 ILE A 14 -5.241 14.002 2.744 1.00 44.42 H new ATOM 0 HD12 ILE A 14 -3.940 12.809 2.518 1.00 44.42 H new ATOM 0 HD13 ILE A 14 -5.626 12.363 2.166 1.00 44.42 H new ATOM 219 N LEU A 15 -3.370 8.845 6.555 1.00 42.25 N ATOM 220 CA LEU A 15 -2.859 7.490 6.855 1.00 33.44 C ATOM 221 C LEU A 15 -3.385 6.969 8.201 1.00 14.40 C ATOM 222 O LEU A 15 -3.824 5.825 8.292 1.00 22.13 O ATOM 223 CB LEU A 15 -1.313 7.507 6.863 1.00 42.24 C ATOM 224 CG LEU A 15 -0.646 7.950 5.534 1.00 13.15 C ATOM 225 CD1 LEU A 15 0.874 8.122 5.719 1.00 43.34 C ATOM 226 CD2 LEU A 15 -0.998 6.962 4.393 1.00 15.01 C ATOM 0 H LEU A 15 -2.646 9.563 6.566 1.00 42.25 H new ATOM 0 HA LEU A 15 -3.217 6.816 6.077 1.00 33.44 H new ATOM 0 HB2 LEU A 15 -0.978 8.173 7.658 1.00 42.24 H new ATOM 0 HB3 LEU A 15 -0.957 6.508 7.113 1.00 42.24 H new ATOM 0 HG LEU A 15 -1.041 8.924 5.245 1.00 13.15 H new ATOM 0 HD11 LEU A 15 1.322 8.433 4.775 1.00 43.34 H new ATOM 0 HD12 LEU A 15 1.065 8.880 6.479 1.00 43.34 H new ATOM 0 HD13 LEU A 15 1.312 7.175 6.034 1.00 43.34 H new ATOM 0 HD21 LEU A 15 -0.521 7.289 3.469 1.00 15.01 H new ATOM 0 HD22 LEU A 15 -0.642 5.965 4.652 1.00 15.01 H new ATOM 0 HD23 LEU A 15 -2.079 6.936 4.255 1.00 15.01 H new ATOM 238 N GLU A 16 -3.331 7.822 9.241 1.00 72.51 N ATOM 239 CA GLU A 16 -3.826 7.474 10.592 1.00 53.42 C ATOM 240 C GLU A 16 -5.349 7.220 10.570 1.00 70.13 C ATOM 241 O GLU A 16 -5.837 6.262 11.181 1.00 64.13 O ATOM 242 CB GLU A 16 -3.477 8.592 11.625 1.00 73.32 C ATOM 243 CG GLU A 16 -2.005 8.623 12.094 1.00 53.22 C ATOM 244 CD GLU A 16 -0.989 9.015 11.006 1.00 34.44 C ATOM 245 OE1 GLU A 16 -0.708 10.222 10.852 1.00 11.20 O ATOM 246 OE2 GLU A 16 -0.444 8.118 10.324 1.00 62.23 O ATOM 0 H GLU A 16 -2.947 8.765 9.173 1.00 72.51 H new ATOM 0 HA GLU A 16 -3.326 6.556 10.902 1.00 53.42 H new ATOM 0 HB2 GLU A 16 -3.721 9.559 11.185 1.00 73.32 H new ATOM 0 HB3 GLU A 16 -4.117 8.469 12.499 1.00 73.32 H new ATOM 0 HG2 GLU A 16 -1.917 9.325 12.923 1.00 53.22 H new ATOM 0 HG3 GLU A 16 -1.741 7.639 12.480 1.00 53.22 H new ATOM 253 N GLU A 17 -6.072 8.098 9.857 1.00 3.24 N ATOM 254 CA GLU A 17 -7.536 8.013 9.688 1.00 20.30 C ATOM 255 C GLU A 17 -7.946 6.696 8.991 1.00 34.02 C ATOM 256 O GLU A 17 -8.835 5.967 9.453 1.00 25.11 O ATOM 257 CB GLU A 17 -8.006 9.226 8.848 1.00 51.21 C ATOM 258 CG GLU A 17 -9.526 9.318 8.647 1.00 42.34 C ATOM 259 CD GLU A 17 -9.941 10.422 7.672 1.00 15.14 C ATOM 260 OE1 GLU A 17 -9.905 11.609 8.056 1.00 53.15 O ATOM 261 OE2 GLU A 17 -10.324 10.108 6.521 1.00 42.12 O ATOM 0 H GLU A 17 -5.655 8.895 9.376 1.00 3.24 H new ATOM 0 HA GLU A 17 -8.009 8.026 10.670 1.00 20.30 H new ATOM 0 HB2 GLU A 17 -7.661 10.140 9.331 1.00 51.21 H new ATOM 0 HB3 GLU A 17 -7.526 9.181 7.870 1.00 51.21 H new ATOM 0 HG2 GLU A 17 -9.896 8.361 8.280 1.00 42.34 H new ATOM 0 HG3 GLU A 17 -10.003 9.496 9.611 1.00 42.34 H new ATOM 268 N LEU A 18 -7.255 6.414 7.879 1.00 33.20 N ATOM 269 CA LEU A 18 -7.502 5.240 7.025 1.00 64.52 C ATOM 270 C LEU A 18 -7.005 3.941 7.690 1.00 43.34 C ATOM 271 O LEU A 18 -7.509 2.860 7.376 1.00 5.10 O ATOM 272 CB LEU A 18 -6.880 5.459 5.607 1.00 42.31 C ATOM 273 CG LEU A 18 -7.794 6.178 4.541 1.00 40.10 C ATOM 274 CD1 LEU A 18 -8.383 7.512 5.049 1.00 72.23 C ATOM 275 CD2 LEU A 18 -7.035 6.369 3.204 1.00 73.22 C ATOM 0 H LEU A 18 -6.495 7.004 7.540 1.00 33.20 H new ATOM 0 HA LEU A 18 -8.579 5.125 6.898 1.00 64.52 H new ATOM 0 HB2 LEU A 18 -5.966 6.042 5.722 1.00 42.31 H new ATOM 0 HB3 LEU A 18 -6.590 4.487 5.208 1.00 42.31 H new ATOM 0 HG LEU A 18 -8.645 5.520 4.366 1.00 40.10 H new ATOM 0 HD11 LEU A 18 -9.002 7.957 4.270 1.00 72.23 H new ATOM 0 HD12 LEU A 18 -8.992 7.327 5.934 1.00 72.23 H new ATOM 0 HD13 LEU A 18 -7.572 8.195 5.302 1.00 72.23 H new ATOM 0 HD21 LEU A 18 -7.685 6.867 2.484 1.00 73.22 H new ATOM 0 HD22 LEU A 18 -6.147 6.979 3.373 1.00 73.22 H new ATOM 0 HD23 LEU A 18 -6.738 5.396 2.812 1.00 73.22 H new ATOM 287 N LEU A 19 -6.004 4.060 8.590 1.00 54.43 N ATOM 288 CA LEU A 19 -5.482 2.923 9.385 1.00 12.45 C ATOM 289 C LEU A 19 -6.598 2.282 10.211 1.00 44.11 C ATOM 290 O LEU A 19 -6.704 1.059 10.293 1.00 22.30 O ATOM 291 CB LEU A 19 -4.334 3.388 10.327 1.00 53.14 C ATOM 292 CG LEU A 19 -3.747 2.303 11.294 1.00 63.14 C ATOM 293 CD1 LEU A 19 -2.978 1.197 10.541 1.00 22.33 C ATOM 294 CD2 LEU A 19 -2.887 2.945 12.396 1.00 65.21 C ATOM 0 H LEU A 19 -5.535 4.944 8.787 1.00 54.43 H new ATOM 0 HA LEU A 19 -5.088 2.183 8.688 1.00 12.45 H new ATOM 0 HB2 LEU A 19 -3.521 3.773 9.711 1.00 53.14 H new ATOM 0 HB3 LEU A 19 -4.701 4.220 10.928 1.00 53.14 H new ATOM 0 HG LEU A 19 -4.594 1.815 11.776 1.00 63.14 H new ATOM 0 HD11 LEU A 19 -2.592 0.471 11.256 1.00 22.33 H new ATOM 0 HD12 LEU A 19 -3.650 0.697 9.843 1.00 22.33 H new ATOM 0 HD13 LEU A 19 -2.148 1.641 9.991 1.00 22.33 H new ATOM 0 HD21 LEU A 19 -2.494 2.167 13.051 1.00 65.21 H new ATOM 0 HD22 LEU A 19 -2.059 3.489 11.941 1.00 65.21 H new ATOM 0 HD23 LEU A 19 -3.498 3.635 12.978 1.00 65.21 H new ATOM 306 N GLU A 20 -7.441 3.144 10.779 1.00 3.11 N ATOM 307 CA GLU A 20 -8.566 2.743 11.629 1.00 62.32 C ATOM 308 C GLU A 20 -9.640 2.016 10.820 1.00 54.10 C ATOM 309 O GLU A 20 -10.288 1.119 11.336 1.00 65.45 O ATOM 310 CB GLU A 20 -9.151 3.988 12.320 1.00 43.55 C ATOM 311 CG GLU A 20 -8.098 4.791 13.098 1.00 63.32 C ATOM 312 CD GLU A 20 -8.690 5.990 13.841 1.00 0.43 C ATOM 313 OE1 GLU A 20 -9.158 5.824 14.991 1.00 33.22 O ATOM 314 OE2 GLU A 20 -8.690 7.107 13.284 1.00 2.53 O ATOM 0 H GLU A 20 -7.362 4.154 10.661 1.00 3.11 H new ATOM 0 HA GLU A 20 -8.205 2.047 12.386 1.00 62.32 H new ATOM 0 HB2 GLU A 20 -9.610 4.632 11.570 1.00 43.55 H new ATOM 0 HB3 GLU A 20 -9.943 3.680 13.003 1.00 43.55 H new ATOM 0 HG2 GLU A 20 -7.604 4.134 13.814 1.00 63.32 H new ATOM 0 HG3 GLU A 20 -7.332 5.141 12.406 1.00 63.32 H new ATOM 321 N VAL A 21 -9.787 2.407 9.542 1.00 72.41 N ATOM 322 CA VAL A 21 -10.721 1.765 8.601 1.00 54.02 C ATOM 323 C VAL A 21 -10.276 0.313 8.319 1.00 30.43 C ATOM 324 O VAL A 21 -11.112 -0.585 8.130 1.00 73.23 O ATOM 325 CB VAL A 21 -10.826 2.585 7.257 1.00 73.13 C ATOM 326 CG1 VAL A 21 -11.845 1.964 6.263 1.00 44.11 C ATOM 327 CG2 VAL A 21 -11.158 4.066 7.551 1.00 32.13 C ATOM 0 H VAL A 21 -9.260 3.178 9.132 1.00 72.41 H new ATOM 0 HA VAL A 21 -11.710 1.747 9.058 1.00 54.02 H new ATOM 0 HB VAL A 21 -9.852 2.538 6.770 1.00 73.13 H new ATOM 0 HG11 VAL A 21 -11.880 2.565 5.355 1.00 44.11 H new ATOM 0 HG12 VAL A 21 -11.538 0.948 6.014 1.00 44.11 H new ATOM 0 HG13 VAL A 21 -12.834 1.942 6.722 1.00 44.11 H new ATOM 0 HG21 VAL A 21 -11.227 4.617 6.613 1.00 32.13 H new ATOM 0 HG22 VAL A 21 -12.110 4.128 8.078 1.00 32.13 H new ATOM 0 HG23 VAL A 21 -10.372 4.499 8.169 1.00 32.13 H new ATOM 337 N VAL A 22 -8.947 0.095 8.325 1.00 45.23 N ATOM 338 CA VAL A 22 -8.357 -1.231 8.118 1.00 42.23 C ATOM 339 C VAL A 22 -8.484 -2.087 9.400 1.00 2.45 C ATOM 340 O VAL A 22 -8.920 -3.239 9.338 1.00 34.25 O ATOM 341 CB VAL A 22 -6.854 -1.136 7.658 1.00 71.14 C ATOM 342 CG1 VAL A 22 -6.253 -2.538 7.407 1.00 12.42 C ATOM 343 CG2 VAL A 22 -6.706 -0.232 6.404 1.00 24.21 C ATOM 0 H VAL A 22 -8.259 0.833 8.473 1.00 45.23 H new ATOM 0 HA VAL A 22 -8.913 -1.717 7.316 1.00 42.23 H new ATOM 0 HB VAL A 22 -6.291 -0.675 8.469 1.00 71.14 H new ATOM 0 HG11 VAL A 22 -5.215 -2.437 7.091 1.00 12.42 H new ATOM 0 HG12 VAL A 22 -6.298 -3.123 8.326 1.00 12.42 H new ATOM 0 HG13 VAL A 22 -6.822 -3.044 6.627 1.00 12.42 H new ATOM 0 HG21 VAL A 22 -5.657 -0.186 6.110 1.00 24.21 H new ATOM 0 HG22 VAL A 22 -7.294 -0.646 5.585 1.00 24.21 H new ATOM 0 HG23 VAL A 22 -7.063 0.772 6.635 1.00 24.21 H new ATOM 353 N LEU A 23 -8.117 -1.495 10.558 1.00 3.32 N ATOM 354 CA LEU A 23 -8.105 -2.188 11.867 1.00 60.22 C ATOM 355 C LEU A 23 -9.526 -2.595 12.341 1.00 54.24 C ATOM 356 O LEU A 23 -9.707 -3.686 12.907 1.00 3.14 O ATOM 357 CB LEU A 23 -7.418 -1.284 12.932 1.00 24.12 C ATOM 358 CG LEU A 23 -5.890 -1.000 12.727 1.00 34.11 C ATOM 359 CD1 LEU A 23 -5.345 -0.034 13.808 1.00 51.51 C ATOM 360 CD2 LEU A 23 -5.070 -2.312 12.682 1.00 22.21 C ATOM 0 H LEU A 23 -7.820 -0.521 10.612 1.00 3.32 H new ATOM 0 HA LEU A 23 -7.539 -3.111 11.743 1.00 60.22 H new ATOM 0 HB2 LEU A 23 -7.942 -0.329 12.958 1.00 24.12 H new ATOM 0 HB3 LEU A 23 -7.551 -1.747 13.910 1.00 24.12 H new ATOM 0 HG LEU A 23 -5.777 -0.510 11.760 1.00 34.11 H new ATOM 0 HD11 LEU A 23 -4.283 0.142 13.637 1.00 51.51 H new ATOM 0 HD12 LEU A 23 -5.883 0.913 13.755 1.00 51.51 H new ATOM 0 HD13 LEU A 23 -5.485 -0.476 14.795 1.00 51.51 H new ATOM 0 HD21 LEU A 23 -4.015 -2.077 12.539 1.00 22.21 H new ATOM 0 HD22 LEU A 23 -5.197 -2.853 13.620 1.00 22.21 H new ATOM 0 HD23 LEU A 23 -5.419 -2.931 11.856 1.00 22.21 H new ATOM 372 N LYS A 24 -10.522 -1.714 12.103 1.00 52.12 N ATOM 373 CA LYS A 24 -11.929 -1.942 12.541 1.00 5.50 C ATOM 374 C LYS A 24 -12.551 -3.131 11.794 1.00 22.23 C ATOM 375 O LYS A 24 -13.396 -3.849 12.339 1.00 24.01 O ATOM 376 CB LYS A 24 -12.812 -0.680 12.322 1.00 60.24 C ATOM 377 CG LYS A 24 -13.043 -0.302 10.840 1.00 21.40 C ATOM 378 CD LYS A 24 -14.018 0.873 10.646 1.00 3.15 C ATOM 379 CE LYS A 24 -15.431 0.553 11.155 1.00 13.24 C ATOM 380 NZ LYS A 24 -16.375 1.675 10.902 1.00 14.24 N ATOM 0 H LYS A 24 -10.383 -0.833 11.608 1.00 52.12 H new ATOM 0 HA LYS A 24 -11.895 -2.162 13.608 1.00 5.50 H new ATOM 0 HB2 LYS A 24 -13.780 -0.844 12.796 1.00 60.24 H new ATOM 0 HB3 LYS A 24 -12.347 0.165 12.830 1.00 60.24 H new ATOM 0 HG2 LYS A 24 -12.086 -0.047 10.386 1.00 21.40 H new ATOM 0 HG3 LYS A 24 -13.426 -1.172 10.308 1.00 21.40 H new ATOM 0 HD2 LYS A 24 -13.636 1.749 11.170 1.00 3.15 H new ATOM 0 HD3 LYS A 24 -14.066 1.131 9.588 1.00 3.15 H new ATOM 0 HE2 LYS A 24 -15.798 -0.349 10.665 1.00 13.24 H new ATOM 0 HE3 LYS A 24 -15.394 0.343 12.224 1.00 13.24 H new ATOM 0 HZ1 LYS A 24 -17.318 1.422 11.259 1.00 14.24 H new ATOM 0 HZ2 LYS A 24 -16.038 2.529 11.390 1.00 14.24 H new ATOM 0 HZ3 LYS A 24 -16.430 1.859 9.880 1.00 14.24 H new ATOM 394 N SER A 25 -12.131 -3.296 10.533 1.00 21.34 N ATOM 395 CA SER A 25 -12.567 -4.384 9.672 1.00 45.20 C ATOM 396 C SER A 25 -11.825 -5.666 10.077 1.00 44.24 C ATOM 397 O SER A 25 -12.451 -6.684 10.390 1.00 5.41 O ATOM 398 CB SER A 25 -12.297 -4.004 8.194 1.00 30.11 C ATOM 399 OG SER A 25 -12.710 -5.016 7.291 1.00 31.23 O ATOM 0 H SER A 25 -11.469 -2.664 10.083 1.00 21.34 H new ATOM 0 HA SER A 25 -13.637 -4.561 9.781 1.00 45.20 H new ATOM 0 HB2 SER A 25 -12.819 -3.076 7.959 1.00 30.11 H new ATOM 0 HB3 SER A 25 -11.232 -3.813 8.059 1.00 30.11 H new ATOM 0 HG SER A 25 -12.089 -5.773 7.342 1.00 31.23 H new ATOM 405 N ASP A 26 -10.482 -5.580 10.124 1.00 54.11 N ATOM 406 CA ASP A 26 -9.591 -6.731 10.366 1.00 3.43 C ATOM 407 C ASP A 26 -8.325 -6.300 11.146 1.00 43.41 C ATOM 408 O ASP A 26 -7.472 -5.589 10.596 1.00 23.34 O ATOM 409 CB ASP A 26 -9.165 -7.380 9.020 1.00 0.14 C ATOM 410 CG ASP A 26 -10.313 -8.076 8.279 1.00 64.43 C ATOM 411 OD1 ASP A 26 -10.686 -9.193 8.693 1.00 53.32 O ATOM 412 OD2 ASP A 26 -10.865 -7.502 7.313 1.00 30.43 O ATOM 0 H ASP A 26 -9.980 -4.702 9.994 1.00 54.11 H new ATOM 0 HA ASP A 26 -10.144 -7.457 10.962 1.00 3.43 H new ATOM 0 HB2 ASP A 26 -8.741 -6.611 8.374 1.00 0.14 H new ATOM 0 HB3 ASP A 26 -8.375 -8.106 9.211 1.00 0.14 H new ATOM 417 N PRO A 27 -8.172 -6.722 12.446 1.00 43.35 N ATOM 418 CA PRO A 27 -6.921 -6.499 13.219 1.00 74.21 C ATOM 419 C PRO A 27 -5.838 -7.562 12.909 1.00 4.44 C ATOM 420 O PRO A 27 -4.679 -7.414 13.314 1.00 54.43 O ATOM 421 CB PRO A 27 -7.418 -6.606 14.674 1.00 51.04 C ATOM 422 CG PRO A 27 -8.510 -7.631 14.614 1.00 43.14 C ATOM 423 CD PRO A 27 -9.206 -7.412 13.279 1.00 62.11 C ATOM 0 HA PRO A 27 -6.435 -5.552 12.985 1.00 74.21 H new ATOM 0 HB2 PRO A 27 -6.618 -6.915 15.347 1.00 51.04 H new ATOM 0 HB3 PRO A 27 -7.790 -5.649 15.040 1.00 51.04 H new ATOM 0 HG2 PRO A 27 -8.104 -8.640 14.683 1.00 43.14 H new ATOM 0 HG3 PRO A 27 -9.207 -7.510 15.443 1.00 43.14 H new ATOM 0 HD2 PRO A 27 -9.517 -8.356 12.830 1.00 62.11 H new ATOM 0 HD3 PRO A 27 -10.102 -6.802 13.391 1.00 62.11 H new ATOM 431 N ASN A 28 -6.242 -8.638 12.191 1.00 1.42 N ATOM 432 CA ASN A 28 -5.340 -9.745 11.807 1.00 62.12 C ATOM 433 C ASN A 28 -4.352 -9.295 10.721 1.00 52.04 C ATOM 434 O ASN A 28 -3.255 -9.852 10.603 1.00 54.15 O ATOM 435 CB ASN A 28 -6.137 -10.991 11.332 1.00 30.32 C ATOM 436 CG ASN A 28 -6.940 -10.776 10.042 1.00 14.15 C ATOM 437 OD1 ASN A 28 -6.443 -10.999 8.936 1.00 22.50 O ATOM 438 ND2 ASN A 28 -8.188 -10.354 10.173 1.00 64.34 N ATOM 0 H ASN A 28 -7.200 -8.760 11.864 1.00 1.42 H new ATOM 0 HA ASN A 28 -4.775 -10.027 12.695 1.00 62.12 H new ATOM 0 HB2 ASN A 28 -5.441 -11.816 11.179 1.00 30.32 H new ATOM 0 HB3 ASN A 28 -6.821 -11.294 12.125 1.00 30.32 H new ATOM 0 HD21 ASN A 28 -8.766 -10.205 9.346 1.00 64.34 H new ATOM 0 HD22 ASN A 28 -8.572 -10.178 11.101 1.00 64.34 H new ATOM 445 N VAL A 29 -4.762 -8.277 9.942 1.00 15.52 N ATOM 446 CA VAL A 29 -3.943 -7.694 8.872 1.00 54.12 C ATOM 447 C VAL A 29 -2.690 -7.025 9.471 1.00 71.44 C ATOM 448 O VAL A 29 -2.778 -6.360 10.509 1.00 5.52 O ATOM 449 CB VAL A 29 -4.775 -6.661 8.029 1.00 64.40 C ATOM 450 CG1 VAL A 29 -3.925 -5.993 6.932 1.00 60.12 C ATOM 451 CG2 VAL A 29 -6.013 -7.340 7.408 1.00 41.22 C ATOM 0 H VAL A 29 -5.676 -7.836 10.041 1.00 15.52 H new ATOM 0 HA VAL A 29 -3.627 -8.494 8.203 1.00 54.12 H new ATOM 0 HB VAL A 29 -5.104 -5.878 8.712 1.00 64.40 H new ATOM 0 HG11 VAL A 29 -4.540 -5.287 6.374 1.00 60.12 H new ATOM 0 HG12 VAL A 29 -3.090 -5.463 7.391 1.00 60.12 H new ATOM 0 HG13 VAL A 29 -3.542 -6.755 6.254 1.00 60.12 H new ATOM 0 HG21 VAL A 29 -6.576 -6.609 6.828 1.00 41.22 H new ATOM 0 HG22 VAL A 29 -5.693 -8.152 6.755 1.00 41.22 H new ATOM 0 HG23 VAL A 29 -6.645 -7.739 8.201 1.00 41.22 H new ATOM 461 N LYS A 30 -1.543 -7.212 8.788 1.00 22.32 N ATOM 462 CA LYS A 30 -0.206 -6.825 9.273 1.00 55.54 C ATOM 463 C LYS A 30 -0.143 -5.329 9.664 1.00 33.22 C ATOM 464 O LYS A 30 0.356 -4.993 10.738 1.00 3.41 O ATOM 465 CB LYS A 30 0.869 -7.163 8.186 1.00 31.42 C ATOM 466 CG LYS A 30 2.179 -7.759 8.738 1.00 31.24 C ATOM 467 CD LYS A 30 1.952 -9.170 9.328 1.00 53.34 C ATOM 468 CE LYS A 30 3.181 -9.704 10.071 1.00 13.14 C ATOM 469 NZ LYS A 30 3.511 -8.852 11.242 1.00 13.24 N ATOM 0 H LYS A 30 -1.521 -7.645 7.865 1.00 22.32 H new ATOM 0 HA LYS A 30 0.005 -7.397 10.176 1.00 55.54 H new ATOM 0 HB2 LYS A 30 0.437 -7.867 7.474 1.00 31.42 H new ATOM 0 HB3 LYS A 30 1.104 -6.254 7.633 1.00 31.42 H new ATOM 0 HG2 LYS A 30 2.921 -7.811 7.941 1.00 31.24 H new ATOM 0 HG3 LYS A 30 2.584 -7.102 9.508 1.00 31.24 H new ATOM 0 HD2 LYS A 30 1.103 -9.142 10.011 1.00 53.34 H new ATOM 0 HD3 LYS A 30 1.691 -9.858 8.524 1.00 53.34 H new ATOM 0 HE2 LYS A 30 2.994 -10.726 10.402 1.00 13.14 H new ATOM 0 HE3 LYS A 30 4.033 -9.740 9.392 1.00 13.14 H new ATOM 0 HZ1 LYS A 30 4.144 -9.372 11.883 1.00 13.24 H new ATOM 0 HZ2 LYS A 30 3.984 -7.984 10.918 1.00 13.24 H new ATOM 0 HZ3 LYS A 30 2.637 -8.602 11.747 1.00 13.24 H new ATOM 483 N THR A 31 -0.679 -4.476 8.768 1.00 72.25 N ATOM 484 CA THR A 31 -0.783 -3.000 8.936 1.00 61.33 C ATOM 485 C THR A 31 0.536 -2.346 9.420 1.00 4.14 C ATOM 486 O THR A 31 0.781 -2.193 10.623 1.00 12.50 O ATOM 487 CB THR A 31 -1.980 -2.575 9.863 1.00 61.52 C ATOM 488 OG1 THR A 31 -1.861 -3.161 11.171 1.00 62.44 O ATOM 489 CG2 THR A 31 -3.331 -2.975 9.265 1.00 12.43 C ATOM 0 H THR A 31 -1.064 -4.797 7.880 1.00 72.25 H new ATOM 0 HA THR A 31 -0.986 -2.621 7.934 1.00 61.33 H new ATOM 0 HB THR A 31 -1.935 -1.489 9.945 1.00 61.52 H new ATOM 0 HG1 THR A 31 -0.916 -3.196 11.429 1.00 62.44 H new ATOM 0 HG21 THR A 31 -4.132 -2.664 9.935 1.00 12.43 H new ATOM 0 HG22 THR A 31 -3.459 -2.490 8.297 1.00 12.43 H new ATOM 0 HG23 THR A 31 -3.366 -4.057 9.136 1.00 12.43 H new ATOM 497 N VAL A 32 1.387 -1.986 8.461 1.00 64.33 N ATOM 498 CA VAL A 32 2.728 -1.453 8.713 1.00 31.23 C ATOM 499 C VAL A 32 2.838 -0.018 8.172 1.00 44.33 C ATOM 500 O VAL A 32 2.718 0.197 6.968 1.00 71.43 O ATOM 501 CB VAL A 32 3.806 -2.368 8.029 1.00 64.25 C ATOM 502 CG1 VAL A 32 5.224 -1.782 8.171 1.00 72.44 C ATOM 503 CG2 VAL A 32 3.735 -3.814 8.573 1.00 54.32 C ATOM 0 H VAL A 32 1.162 -2.057 7.469 1.00 64.33 H new ATOM 0 HA VAL A 32 2.905 -1.438 9.788 1.00 31.23 H new ATOM 0 HB VAL A 32 3.578 -2.402 6.964 1.00 64.25 H new ATOM 0 HG11 VAL A 32 5.941 -2.443 7.685 1.00 72.44 H new ATOM 0 HG12 VAL A 32 5.260 -0.799 7.701 1.00 72.44 H new ATOM 0 HG13 VAL A 32 5.475 -1.688 9.228 1.00 72.44 H new ATOM 0 HG21 VAL A 32 4.492 -4.425 8.082 1.00 54.32 H new ATOM 0 HG22 VAL A 32 3.915 -3.808 9.648 1.00 54.32 H new ATOM 0 HG23 VAL A 32 2.748 -4.230 8.373 1.00 54.32 H new ATOM 513 N ARG A 33 3.047 0.959 9.065 1.00 35.00 N ATOM 514 CA ARG A 33 3.358 2.338 8.666 1.00 60.10 C ATOM 515 C ARG A 33 4.887 2.509 8.727 1.00 3.14 C ATOM 516 O ARG A 33 5.455 2.791 9.794 1.00 74.32 O ATOM 517 CB ARG A 33 2.627 3.348 9.600 1.00 24.53 C ATOM 518 CG ARG A 33 2.732 4.827 9.165 1.00 63.23 C ATOM 519 CD ARG A 33 2.066 5.784 10.167 1.00 73.51 C ATOM 520 NE ARG A 33 2.743 5.751 11.476 1.00 53.43 N ATOM 521 CZ ARG A 33 2.405 6.485 12.546 1.00 53.24 C ATOM 522 NH1 ARG A 33 1.386 7.339 12.508 1.00 2.13 N ATOM 523 NH2 ARG A 33 3.115 6.367 13.660 1.00 53.33 N ATOM 0 H ARG A 33 3.006 0.818 10.074 1.00 35.00 H new ATOM 0 HA ARG A 33 3.011 2.538 7.652 1.00 60.10 H new ATOM 0 HB2 ARG A 33 1.573 3.074 9.654 1.00 24.53 H new ATOM 0 HB3 ARG A 33 3.034 3.250 10.606 1.00 24.53 H new ATOM 0 HG2 ARG A 33 3.782 5.096 9.054 1.00 63.23 H new ATOM 0 HG3 ARG A 33 2.267 4.949 8.187 1.00 63.23 H new ATOM 0 HD2 ARG A 33 2.086 6.799 9.771 1.00 73.51 H new ATOM 0 HD3 ARG A 33 1.018 5.511 10.291 1.00 73.51 H new ATOM 0 HE ARG A 33 3.535 5.116 11.576 1.00 53.43 H new ATOM 0 HH11 ARG A 33 0.842 7.447 11.652 1.00 2.13 H new ATOM 0 HH12 ARG A 33 1.148 7.886 13.335 1.00 2.13 H new ATOM 0 HH21 ARG A 33 3.906 5.724 13.695 1.00 53.33 H new ATOM 0 HH22 ARG A 33 2.870 6.919 14.482 1.00 53.33 H new ATOM 537 N THR A 34 5.546 2.294 7.579 1.00 12.41 N ATOM 538 CA THR A 34 7.014 2.294 7.469 1.00 34.52 C ATOM 539 C THR A 34 7.426 2.639 6.024 1.00 3.13 C ATOM 540 O THR A 34 6.832 2.137 5.066 1.00 61.21 O ATOM 541 CB THR A 34 7.635 0.901 7.877 1.00 12.04 C ATOM 542 OG1 THR A 34 7.244 0.541 9.220 1.00 73.40 O ATOM 543 CG2 THR A 34 9.174 0.893 7.794 1.00 44.14 C ATOM 0 H THR A 34 5.073 2.114 6.694 1.00 12.41 H new ATOM 0 HA THR A 34 7.398 3.046 8.159 1.00 34.52 H new ATOM 0 HB THR A 34 7.248 0.175 7.162 1.00 12.04 H new ATOM 0 HG1 THR A 34 7.637 -0.326 9.454 1.00 73.40 H new ATOM 0 HG21 THR A 34 9.549 -0.088 8.085 1.00 44.14 H new ATOM 0 HG22 THR A 34 9.484 1.112 6.772 1.00 44.14 H new ATOM 0 HG23 THR A 34 9.579 1.650 8.466 1.00 44.14 H new ATOM 551 N ASP A 35 8.438 3.511 5.897 1.00 42.03 N ATOM 552 CA ASP A 35 9.025 3.923 4.601 1.00 34.24 C ATOM 553 C ASP A 35 10.429 3.324 4.408 1.00 35.52 C ATOM 554 O ASP A 35 10.973 3.366 3.297 1.00 32.41 O ATOM 555 CB ASP A 35 9.079 5.469 4.519 1.00 73.03 C ATOM 556 CG ASP A 35 9.839 6.124 5.689 1.00 63.40 C ATOM 557 OD1 ASP A 35 9.246 6.265 6.780 1.00 33.12 O ATOM 558 OD2 ASP A 35 11.022 6.505 5.530 1.00 43.35 O ATOM 0 H ASP A 35 8.881 3.959 6.699 1.00 42.03 H new ATOM 0 HA ASP A 35 8.391 3.543 3.800 1.00 34.24 H new ATOM 0 HB2 ASP A 35 9.554 5.758 3.581 1.00 73.03 H new ATOM 0 HB3 ASP A 35 8.061 5.859 4.494 1.00 73.03 H new ATOM 563 N ASP A 36 11.020 2.799 5.504 1.00 42.31 N ATOM 564 CA ASP A 36 12.330 2.117 5.481 1.00 33.35 C ATOM 565 C ASP A 36 12.252 0.893 4.559 1.00 52.05 C ATOM 566 O ASP A 36 11.693 -0.132 4.952 1.00 12.20 O ATOM 567 CB ASP A 36 12.762 1.669 6.908 1.00 75.41 C ATOM 568 CG ASP A 36 12.804 2.815 7.928 1.00 63.21 C ATOM 569 OD1 ASP A 36 11.726 3.328 8.303 1.00 14.13 O ATOM 570 OD2 ASP A 36 13.906 3.204 8.368 1.00 53.44 O ATOM 0 H ASP A 36 10.599 2.837 6.432 1.00 42.31 H new ATOM 0 HA ASP A 36 13.074 2.820 5.107 1.00 33.35 H new ATOM 0 HB2 ASP A 36 12.072 0.903 7.263 1.00 75.41 H new ATOM 0 HB3 ASP A 36 13.748 1.208 6.852 1.00 75.41 H new ATOM 575 N LYS A 37 12.800 1.029 3.336 1.00 65.51 N ATOM 576 CA LYS A 37 12.672 0.023 2.260 1.00 51.41 C ATOM 577 C LYS A 37 13.104 -1.385 2.710 1.00 62.41 C ATOM 578 O LYS A 37 12.424 -2.367 2.415 1.00 54.44 O ATOM 579 CB LYS A 37 13.470 0.481 1.017 1.00 34.53 C ATOM 580 CG LYS A 37 14.997 0.607 1.224 1.00 35.43 C ATOM 581 CD LYS A 37 15.705 1.366 0.074 1.00 51.20 C ATOM 582 CE LYS A 37 15.605 2.892 0.197 1.00 14.31 C ATOM 583 NZ LYS A 37 16.385 3.579 -0.867 1.00 1.53 N ATOM 0 H LYS A 37 13.348 1.845 3.064 1.00 65.51 H new ATOM 0 HA LYS A 37 11.616 -0.051 2.001 1.00 51.41 H new ATOM 0 HB2 LYS A 37 13.286 -0.225 0.207 1.00 34.53 H new ATOM 0 HB3 LYS A 37 13.083 1.447 0.692 1.00 34.53 H new ATOM 0 HG2 LYS A 37 15.189 1.123 2.165 1.00 35.43 H new ATOM 0 HG3 LYS A 37 15.429 -0.390 1.314 1.00 35.43 H new ATOM 0 HD2 LYS A 37 16.756 1.079 0.053 1.00 51.20 H new ATOM 0 HD3 LYS A 37 15.271 1.057 -0.877 1.00 51.20 H new ATOM 0 HE2 LYS A 37 14.560 3.195 0.136 1.00 14.31 H new ATOM 0 HE3 LYS A 37 15.970 3.204 1.176 1.00 14.31 H new ATOM 0 HZ1 LYS A 37 16.295 4.609 -0.753 1.00 1.53 H new ATOM 0 HZ2 LYS A 37 17.387 3.309 -0.793 1.00 1.53 H new ATOM 0 HZ3 LYS A 37 16.020 3.300 -1.800 1.00 1.53 H new ATOM 597 N GLU A 38 14.215 -1.447 3.464 1.00 43.00 N ATOM 598 CA GLU A 38 14.762 -2.699 4.010 1.00 54.10 C ATOM 599 C GLU A 38 13.774 -3.347 5.002 1.00 51.03 C ATOM 600 O GLU A 38 13.527 -4.559 4.935 1.00 41.23 O ATOM 601 CB GLU A 38 16.134 -2.438 4.693 1.00 23.25 C ATOM 602 CG GLU A 38 16.119 -1.304 5.743 1.00 31.33 C ATOM 603 CD GLU A 38 17.437 -1.170 6.517 1.00 33.32 C ATOM 604 OE1 GLU A 38 17.600 -1.846 7.554 1.00 35.23 O ATOM 605 OE2 GLU A 38 18.321 -0.396 6.093 1.00 40.43 O ATOM 0 H GLU A 38 14.762 -0.623 3.713 1.00 43.00 H new ATOM 0 HA GLU A 38 14.913 -3.394 3.184 1.00 54.10 H new ATOM 0 HB2 GLU A 38 16.467 -3.358 5.174 1.00 23.25 H new ATOM 0 HB3 GLU A 38 16.868 -2.196 3.925 1.00 23.25 H new ATOM 0 HG2 GLU A 38 15.902 -0.360 5.243 1.00 31.33 H new ATOM 0 HG3 GLU A 38 15.309 -1.484 6.449 1.00 31.33 H new ATOM 612 N LYS A 39 13.180 -2.516 5.887 1.00 64.33 N ATOM 613 CA LYS A 39 12.266 -2.996 6.928 1.00 63.54 C ATOM 614 C LYS A 39 10.963 -3.494 6.303 1.00 60.55 C ATOM 615 O LYS A 39 10.506 -4.568 6.646 1.00 12.04 O ATOM 616 CB LYS A 39 11.968 -1.909 7.999 1.00 22.22 C ATOM 617 CG LYS A 39 11.097 -2.440 9.165 1.00 62.45 C ATOM 618 CD LYS A 39 10.839 -1.418 10.295 1.00 15.22 C ATOM 619 CE LYS A 39 9.912 -2.001 11.378 1.00 60.43 C ATOM 620 NZ LYS A 39 9.681 -1.049 12.498 1.00 55.23 N ATOM 0 H LYS A 39 13.323 -1.506 5.894 1.00 64.33 H new ATOM 0 HA LYS A 39 12.763 -3.823 7.436 1.00 63.54 H new ATOM 0 HB2 LYS A 39 12.909 -1.530 8.398 1.00 22.22 H new ATOM 0 HB3 LYS A 39 11.461 -1.068 7.526 1.00 22.22 H new ATOM 0 HG2 LYS A 39 10.138 -2.768 8.764 1.00 62.45 H new ATOM 0 HG3 LYS A 39 11.581 -3.318 9.592 1.00 62.45 H new ATOM 0 HD2 LYS A 39 11.787 -1.124 10.745 1.00 15.22 H new ATOM 0 HD3 LYS A 39 10.391 -0.516 9.877 1.00 15.22 H new ATOM 0 HE2 LYS A 39 8.956 -2.268 10.929 1.00 60.43 H new ATOM 0 HE3 LYS A 39 10.348 -2.920 11.770 1.00 60.43 H new ATOM 0 HZ1 LYS A 39 9.052 -1.486 13.201 1.00 55.23 H new ATOM 0 HZ2 LYS A 39 10.589 -0.813 12.946 1.00 55.23 H new ATOM 0 HZ3 LYS A 39 9.240 -0.182 12.131 1.00 55.23 H new ATOM 634 N VAL A 40 10.415 -2.717 5.343 1.00 45.20 N ATOM 635 CA VAL A 40 9.145 -3.039 4.653 1.00 53.52 C ATOM 636 C VAL A 40 9.217 -4.432 3.993 1.00 72.40 C ATOM 637 O VAL A 40 8.231 -5.160 3.969 1.00 21.33 O ATOM 638 CB VAL A 40 8.772 -1.945 3.576 1.00 11.14 C ATOM 639 CG1 VAL A 40 7.491 -2.319 2.787 1.00 73.41 C ATOM 640 CG2 VAL A 40 8.615 -0.553 4.228 1.00 2.13 C ATOM 0 H VAL A 40 10.841 -1.847 5.024 1.00 45.20 H new ATOM 0 HA VAL A 40 8.360 -3.047 5.409 1.00 53.52 H new ATOM 0 HB VAL A 40 9.598 -1.906 2.866 1.00 11.14 H new ATOM 0 HG11 VAL A 40 7.272 -1.539 2.058 1.00 73.41 H new ATOM 0 HG12 VAL A 40 7.646 -3.266 2.270 1.00 73.41 H new ATOM 0 HG13 VAL A 40 6.653 -2.415 3.478 1.00 73.41 H new ATOM 0 HG21 VAL A 40 8.358 0.180 3.463 1.00 2.13 H new ATOM 0 HG22 VAL A 40 7.823 -0.589 4.976 1.00 2.13 H new ATOM 0 HG23 VAL A 40 9.552 -0.267 4.705 1.00 2.13 H new ATOM 650 N LYS A 41 10.410 -4.790 3.499 1.00 73.23 N ATOM 651 CA LYS A 41 10.675 -6.113 2.897 1.00 35.44 C ATOM 652 C LYS A 41 10.647 -7.233 3.954 1.00 24.20 C ATOM 653 O LYS A 41 10.167 -8.335 3.684 1.00 15.41 O ATOM 654 CB LYS A 41 12.035 -6.083 2.174 1.00 53.02 C ATOM 655 CG LYS A 41 12.072 -5.103 0.987 1.00 12.31 C ATOM 656 CD LYS A 41 13.469 -4.999 0.345 1.00 73.11 C ATOM 657 CE LYS A 41 13.498 -4.012 -0.823 1.00 54.13 C ATOM 658 NZ LYS A 41 14.845 -3.924 -1.449 1.00 3.41 N ATOM 0 H LYS A 41 11.222 -4.173 3.503 1.00 73.23 H new ATOM 0 HA LYS A 41 9.885 -6.329 2.177 1.00 35.44 H new ATOM 0 HB2 LYS A 41 12.812 -5.808 2.887 1.00 53.02 H new ATOM 0 HB3 LYS A 41 12.271 -7.085 1.816 1.00 53.02 H new ATOM 0 HG2 LYS A 41 11.353 -5.424 0.233 1.00 12.31 H new ATOM 0 HG3 LYS A 41 11.758 -4.116 1.326 1.00 12.31 H new ATOM 0 HD2 LYS A 41 14.191 -4.687 1.100 1.00 73.11 H new ATOM 0 HD3 LYS A 41 13.780 -5.983 -0.006 1.00 73.11 H new ATOM 0 HE2 LYS A 41 12.769 -4.318 -1.574 1.00 54.13 H new ATOM 0 HE3 LYS A 41 13.197 -3.025 -0.471 1.00 54.13 H new ATOM 0 HZ1 LYS A 41 15.045 -2.936 -1.704 1.00 3.41 H new ATOM 0 HZ2 LYS A 41 15.563 -4.260 -0.776 1.00 3.41 H new ATOM 0 HZ3 LYS A 41 14.869 -4.514 -2.305 1.00 3.41 H new ATOM 672 N GLU A 42 11.174 -6.932 5.151 1.00 50.34 N ATOM 673 CA GLU A 42 11.099 -7.833 6.321 1.00 72.14 C ATOM 674 C GLU A 42 9.635 -8.011 6.754 1.00 42.14 C ATOM 675 O GLU A 42 9.215 -9.116 7.103 1.00 75.45 O ATOM 676 CB GLU A 42 11.943 -7.255 7.491 1.00 43.23 C ATOM 677 CG GLU A 42 13.445 -7.119 7.172 1.00 60.23 C ATOM 678 CD GLU A 42 14.229 -6.280 8.200 1.00 45.00 C ATOM 679 OE1 GLU A 42 14.302 -6.689 9.377 1.00 45.13 O ATOM 680 OE2 GLU A 42 14.774 -5.209 7.837 1.00 10.21 O ATOM 0 H GLU A 42 11.665 -6.058 5.339 1.00 50.34 H new ATOM 0 HA GLU A 42 11.503 -8.808 6.047 1.00 72.14 H new ATOM 0 HB2 GLU A 42 11.549 -6.275 7.760 1.00 43.23 H new ATOM 0 HB3 GLU A 42 11.824 -7.897 8.364 1.00 43.23 H new ATOM 0 HG2 GLU A 42 13.886 -8.114 7.118 1.00 60.23 H new ATOM 0 HG3 GLU A 42 13.558 -6.666 6.187 1.00 60.23 H new ATOM 687 N GLU A 43 8.865 -6.906 6.687 1.00 11.34 N ATOM 688 CA GLU A 43 7.442 -6.890 7.054 1.00 71.02 C ATOM 689 C GLU A 43 6.620 -7.705 6.039 1.00 51.24 C ATOM 690 O GLU A 43 5.667 -8.389 6.417 1.00 72.40 O ATOM 691 CB GLU A 43 6.901 -5.434 7.133 1.00 21.20 C ATOM 692 CG GLU A 43 7.729 -4.452 7.989 1.00 62.04 C ATOM 693 CD GLU A 43 8.030 -4.939 9.417 1.00 71.14 C ATOM 694 OE1 GLU A 43 7.127 -4.884 10.274 1.00 41.41 O ATOM 695 OE2 GLU A 43 9.175 -5.369 9.695 1.00 33.11 O ATOM 0 H GLU A 43 9.217 -6.000 6.376 1.00 11.34 H new ATOM 0 HA GLU A 43 7.343 -7.345 8.040 1.00 71.02 H new ATOM 0 HB2 GLU A 43 6.835 -5.036 6.120 1.00 21.20 H new ATOM 0 HB3 GLU A 43 5.886 -5.465 7.530 1.00 21.20 H new ATOM 0 HG2 GLU A 43 8.673 -4.255 7.481 1.00 62.04 H new ATOM 0 HG3 GLU A 43 7.195 -3.504 8.048 1.00 62.04 H new ATOM 702 N ILE A 44 7.015 -7.605 4.747 1.00 11.43 N ATOM 703 CA ILE A 44 6.411 -8.374 3.639 1.00 62.21 C ATOM 704 C ILE A 44 6.692 -9.868 3.840 1.00 72.34 C ATOM 705 O ILE A 44 5.793 -10.696 3.677 1.00 53.03 O ATOM 706 CB ILE A 44 6.962 -7.905 2.220 1.00 63.24 C ATOM 707 CG1 ILE A 44 6.384 -6.510 1.815 1.00 73.12 C ATOM 708 CG2 ILE A 44 6.684 -8.944 1.101 1.00 54.25 C ATOM 709 CD1 ILE A 44 6.906 -5.976 0.487 1.00 12.11 C ATOM 0 H ILE A 44 7.766 -6.984 4.446 1.00 11.43 H new ATOM 0 HA ILE A 44 5.336 -8.191 3.650 1.00 62.21 H new ATOM 0 HB ILE A 44 8.043 -7.819 2.328 1.00 63.24 H new ATOM 0 HG12 ILE A 44 5.298 -6.581 1.763 1.00 73.12 H new ATOM 0 HG13 ILE A 44 6.619 -5.791 2.600 1.00 73.12 H new ATOM 0 HG21 ILE A 44 7.080 -8.575 0.155 1.00 54.25 H new ATOM 0 HG22 ILE A 44 7.167 -9.888 1.353 1.00 54.25 H new ATOM 0 HG23 ILE A 44 5.609 -9.100 1.008 1.00 54.25 H new ATOM 0 HD11 ILE A 44 6.455 -5.005 0.283 1.00 12.11 H new ATOM 0 HD12 ILE A 44 7.989 -5.869 0.539 1.00 12.11 H new ATOM 0 HD13 ILE A 44 6.648 -6.672 -0.312 1.00 12.11 H new ATOM 721 N GLU A 45 7.950 -10.180 4.219 1.00 34.21 N ATOM 722 CA GLU A 45 8.412 -11.560 4.458 1.00 42.11 C ATOM 723 C GLU A 45 7.550 -12.201 5.555 1.00 41.33 C ATOM 724 O GLU A 45 6.987 -13.273 5.367 1.00 24.41 O ATOM 725 CB GLU A 45 9.919 -11.551 4.871 1.00 62.31 C ATOM 726 CG GLU A 45 10.674 -12.908 4.784 1.00 61.34 C ATOM 727 CD GLU A 45 10.170 -14.014 5.739 1.00 10.31 C ATOM 728 OE1 GLU A 45 10.356 -13.879 6.970 1.00 4.33 O ATOM 729 OE2 GLU A 45 9.581 -15.017 5.266 1.00 2.05 O ATOM 0 H GLU A 45 8.675 -9.478 4.368 1.00 34.21 H new ATOM 0 HA GLU A 45 8.312 -12.146 3.544 1.00 42.11 H new ATOM 0 HB2 GLU A 45 10.440 -10.830 4.241 1.00 62.31 H new ATOM 0 HB3 GLU A 45 9.989 -11.188 5.896 1.00 62.31 H new ATOM 0 HG2 GLU A 45 10.605 -13.277 3.761 1.00 61.34 H new ATOM 0 HG3 GLU A 45 11.730 -12.730 4.988 1.00 61.34 H new ATOM 736 N LYS A 46 7.428 -11.492 6.681 1.00 50.25 N ATOM 737 CA LYS A 46 6.678 -11.957 7.853 1.00 63.41 C ATOM 738 C LYS A 46 5.167 -12.007 7.561 1.00 61.44 C ATOM 739 O LYS A 46 4.468 -12.863 8.096 1.00 53.54 O ATOM 740 CB LYS A 46 7.013 -11.065 9.076 1.00 34.52 C ATOM 741 CG LYS A 46 8.501 -11.160 9.512 1.00 23.20 C ATOM 742 CD LYS A 46 8.887 -10.188 10.658 1.00 1.12 C ATOM 743 CE LYS A 46 8.699 -8.714 10.266 1.00 35.14 C ATOM 744 NZ LYS A 46 9.112 -7.788 11.345 1.00 32.04 N ATOM 0 H LYS A 46 7.850 -10.572 6.806 1.00 50.25 H new ATOM 0 HA LYS A 46 6.979 -12.977 8.090 1.00 63.41 H new ATOM 0 HB2 LYS A 46 6.776 -10.028 8.837 1.00 34.52 H new ATOM 0 HB3 LYS A 46 6.377 -11.353 9.913 1.00 34.52 H new ATOM 0 HG2 LYS A 46 8.711 -12.181 9.830 1.00 23.20 H new ATOM 0 HG3 LYS A 46 9.135 -10.958 8.649 1.00 23.20 H new ATOM 0 HD2 LYS A 46 8.280 -10.407 11.536 1.00 1.12 H new ATOM 0 HD3 LYS A 46 9.927 -10.356 10.939 1.00 1.12 H new ATOM 0 HE2 LYS A 46 9.279 -8.503 9.367 1.00 35.14 H new ATOM 0 HE3 LYS A 46 7.652 -8.537 10.019 1.00 35.14 H new ATOM 0 HZ1 LYS A 46 9.211 -6.827 10.959 1.00 32.04 H new ATOM 0 HZ2 LYS A 46 8.393 -7.787 12.096 1.00 32.04 H new ATOM 0 HZ3 LYS A 46 10.023 -8.098 11.739 1.00 32.04 H new ATOM 758 N ALA A 47 4.679 -11.098 6.691 1.00 61.21 N ATOM 759 CA ALA A 47 3.261 -11.066 6.272 1.00 51.32 C ATOM 760 C ALA A 47 2.893 -12.334 5.485 1.00 70.50 C ATOM 761 O ALA A 47 1.944 -13.033 5.841 1.00 44.00 O ATOM 762 CB ALA A 47 2.967 -9.810 5.441 1.00 41.20 C ATOM 0 H ALA A 47 5.251 -10.371 6.262 1.00 61.21 H new ATOM 0 HA ALA A 47 2.645 -11.033 7.171 1.00 51.32 H new ATOM 0 HB1 ALA A 47 1.918 -9.808 5.144 1.00 41.20 H new ATOM 0 HB2 ALA A 47 3.177 -8.922 6.037 1.00 41.20 H new ATOM 0 HB3 ALA A 47 3.596 -9.807 4.551 1.00 41.20 H new ATOM 768 N ARG A 48 3.696 -12.644 4.443 1.00 50.11 N ATOM 769 CA ARG A 48 3.491 -13.839 3.593 1.00 13.32 C ATOM 770 C ARG A 48 3.814 -15.127 4.374 1.00 13.21 C ATOM 771 O ARG A 48 3.262 -16.187 4.076 1.00 31.40 O ATOM 772 CB ARG A 48 4.293 -13.739 2.248 1.00 13.44 C ATOM 773 CG ARG A 48 5.830 -13.530 2.344 1.00 51.12 C ATOM 774 CD ARG A 48 6.642 -14.819 2.587 1.00 22.13 C ATOM 775 NE ARG A 48 6.616 -15.716 1.421 1.00 44.30 N ATOM 776 CZ ARG A 48 6.131 -16.969 1.411 1.00 4.32 C ATOM 777 NH1 ARG A 48 5.616 -17.511 2.511 1.00 51.35 N ATOM 778 NH2 ARG A 48 6.162 -17.669 0.286 1.00 43.03 N ATOM 0 H ARG A 48 4.499 -12.078 4.169 1.00 50.11 H new ATOM 0 HA ARG A 48 2.437 -13.882 3.318 1.00 13.32 H new ATOM 0 HB2 ARG A 48 4.112 -14.651 1.680 1.00 13.44 H new ATOM 0 HB3 ARG A 48 3.877 -12.915 1.668 1.00 13.44 H new ATOM 0 HG2 ARG A 48 6.178 -13.066 1.421 1.00 51.12 H new ATOM 0 HG3 ARG A 48 6.038 -12.828 3.152 1.00 51.12 H new ATOM 0 HD2 ARG A 48 7.674 -14.558 2.821 1.00 22.13 H new ATOM 0 HD3 ARG A 48 6.241 -15.342 3.455 1.00 22.13 H new ATOM 0 HE ARG A 48 6.998 -15.356 0.546 1.00 44.30 H new ATOM 0 HH11 ARG A 48 5.585 -16.974 3.378 1.00 51.35 H new ATOM 0 HH12 ARG A 48 5.252 -18.463 2.488 1.00 51.35 H new ATOM 0 HH21 ARG A 48 6.551 -17.256 -0.561 1.00 43.03 H new ATOM 0 HH22 ARG A 48 5.796 -18.621 0.268 1.00 43.03 H new ATOM 792 N LYS A 49 4.715 -15.015 5.372 1.00 35.14 N ATOM 793 CA LYS A 49 5.091 -16.134 6.258 1.00 22.31 C ATOM 794 C LYS A 49 3.872 -16.582 7.087 1.00 5.22 C ATOM 795 O LYS A 49 3.610 -17.777 7.231 1.00 23.43 O ATOM 796 CB LYS A 49 6.271 -15.721 7.185 1.00 21.23 C ATOM 797 CG LYS A 49 6.926 -16.884 7.956 1.00 11.32 C ATOM 798 CD LYS A 49 8.139 -16.439 8.812 1.00 51.43 C ATOM 799 CE LYS A 49 8.937 -17.635 9.368 1.00 54.03 C ATOM 800 NZ LYS A 49 9.542 -18.445 8.272 1.00 65.42 N ATOM 0 H LYS A 49 5.202 -14.145 5.586 1.00 35.14 H new ATOM 0 HA LYS A 49 5.421 -16.974 5.647 1.00 22.31 H new ATOM 0 HB2 LYS A 49 7.034 -15.229 6.581 1.00 21.23 H new ATOM 0 HB3 LYS A 49 5.910 -14.985 7.904 1.00 21.23 H new ATOM 0 HG2 LYS A 49 6.182 -17.347 8.604 1.00 11.32 H new ATOM 0 HG3 LYS A 49 7.249 -17.646 7.247 1.00 11.32 H new ATOM 0 HD2 LYS A 49 8.798 -15.816 8.207 1.00 51.43 H new ATOM 0 HD3 LYS A 49 7.789 -15.823 9.640 1.00 51.43 H new ATOM 0 HE2 LYS A 49 9.723 -17.273 10.031 1.00 54.03 H new ATOM 0 HE3 LYS A 49 8.280 -18.265 9.967 1.00 54.03 H new ATOM 0 HZ1 LYS A 49 10.291 -19.052 8.662 1.00 65.42 H new ATOM 0 HZ2 LYS A 49 8.809 -19.038 7.833 1.00 65.42 H new ATOM 0 HZ3 LYS A 49 9.949 -17.811 7.556 1.00 65.42 H new ATOM 814 N GLN A 50 3.125 -15.585 7.602 1.00 60.22 N ATOM 815 CA GLN A 50 1.844 -15.805 8.304 1.00 60.23 C ATOM 816 C GLN A 50 0.715 -16.100 7.297 1.00 31.23 C ATOM 817 O GLN A 50 -0.278 -16.759 7.634 1.00 3.23 O ATOM 818 CB GLN A 50 1.483 -14.557 9.165 1.00 61.24 C ATOM 819 CG GLN A 50 2.564 -14.150 10.194 1.00 51.24 C ATOM 820 CD GLN A 50 3.026 -15.288 11.117 1.00 73.34 C ATOM 821 OE1 GLN A 50 2.258 -16.180 11.481 1.00 70.21 O ATOM 822 NE2 GLN A 50 4.299 -15.276 11.479 1.00 23.43 N ATOM 0 H GLN A 50 3.393 -14.603 7.543 1.00 60.22 H new ATOM 0 HA GLN A 50 1.954 -16.668 8.960 1.00 60.23 H new ATOM 0 HB2 GLN A 50 1.298 -13.714 8.499 1.00 61.24 H new ATOM 0 HB3 GLN A 50 0.551 -14.755 9.695 1.00 61.24 H new ATOM 0 HG2 GLN A 50 3.429 -13.760 9.658 1.00 51.24 H new ATOM 0 HG3 GLN A 50 2.176 -13.337 10.807 1.00 51.24 H new ATOM 0 HE21 GLN A 50 4.912 -14.525 11.163 1.00 23.43 H new ATOM 0 HE22 GLN A 50 4.667 -16.018 12.074 1.00 23.43 H new ATOM 831 N GLY A 51 0.908 -15.614 6.057 1.00 31.44 N ATOM 832 CA GLY A 51 -0.087 -15.721 4.993 1.00 61.21 C ATOM 833 C GLY A 51 -1.261 -14.793 5.231 1.00 24.24 C ATOM 834 O GLY A 51 -2.416 -15.216 5.197 1.00 60.24 O ATOM 0 H GLY A 51 1.763 -15.136 5.772 1.00 31.44 H new ATOM 0 HA2 GLY A 51 0.377 -15.484 4.035 1.00 61.21 H new ATOM 0 HA3 GLY A 51 -0.443 -16.749 4.929 1.00 61.21 H new ATOM 838 N ARG A 52 -0.947 -13.514 5.489 1.00 53.32 N ATOM 839 CA ARG A 52 -1.930 -12.456 5.788 1.00 34.44 C ATOM 840 C ARG A 52 -1.628 -11.206 4.934 1.00 42.31 C ATOM 841 O ARG A 52 -0.467 -10.993 4.549 1.00 64.45 O ATOM 842 CB ARG A 52 -1.888 -12.096 7.307 1.00 0.53 C ATOM 843 CG ARG A 52 -2.352 -13.226 8.248 1.00 12.01 C ATOM 844 CD ARG A 52 -2.357 -12.811 9.723 1.00 23.22 C ATOM 845 NE ARG A 52 -2.894 -13.876 10.578 1.00 13.24 N ATOM 846 CZ ARG A 52 -3.266 -13.741 11.859 1.00 2.22 C ATOM 847 NH1 ARG A 52 -3.161 -12.568 12.482 1.00 65.41 N ATOM 848 NH2 ARG A 52 -3.763 -14.790 12.496 1.00 22.44 N ATOM 0 H ARG A 52 0.016 -13.178 5.496 1.00 53.32 H new ATOM 0 HA ARG A 52 -2.929 -12.819 5.545 1.00 34.44 H new ATOM 0 HB2 ARG A 52 -0.869 -11.816 7.572 1.00 0.53 H new ATOM 0 HB3 ARG A 52 -2.514 -11.220 7.477 1.00 0.53 H new ATOM 0 HG2 ARG A 52 -3.355 -13.541 7.961 1.00 12.01 H new ATOM 0 HG3 ARG A 52 -1.698 -14.089 8.121 1.00 12.01 H new ATOM 0 HD2 ARG A 52 -1.342 -12.567 10.037 1.00 23.22 H new ATOM 0 HD3 ARG A 52 -2.954 -11.908 9.846 1.00 23.22 H new ATOM 0 HE ARG A 52 -2.993 -14.801 10.161 1.00 13.24 H new ATOM 0 HH11 ARG A 52 -2.794 -11.757 11.984 1.00 65.41 H new ATOM 0 HH12 ARG A 52 -3.448 -12.481 13.457 1.00 65.41 H new ATOM 0 HH21 ARG A 52 -3.858 -15.683 12.012 1.00 22.44 H new ATOM 0 HH22 ARG A 52 -4.051 -14.705 13.471 1.00 22.44 H new ATOM 862 N PRO A 53 -2.666 -10.362 4.609 1.00 42.40 N ATOM 863 CA PRO A 53 -2.463 -9.084 3.891 1.00 33.32 C ATOM 864 C PRO A 53 -1.630 -8.084 4.722 1.00 14.43 C ATOM 865 O PRO A 53 -1.622 -8.144 5.958 1.00 45.12 O ATOM 866 CB PRO A 53 -3.913 -8.560 3.635 1.00 53.21 C ATOM 867 CG PRO A 53 -4.795 -9.758 3.834 1.00 72.00 C ATOM 868 CD PRO A 53 -4.110 -10.584 4.895 1.00 24.34 C ATOM 0 HA PRO A 53 -1.898 -9.212 2.967 1.00 33.32 H new ATOM 0 HB2 PRO A 53 -4.172 -7.759 4.327 1.00 53.21 H new ATOM 0 HB3 PRO A 53 -4.016 -8.156 2.628 1.00 53.21 H new ATOM 0 HG2 PRO A 53 -5.795 -9.462 4.151 1.00 72.00 H new ATOM 0 HG3 PRO A 53 -4.908 -10.322 2.908 1.00 72.00 H new ATOM 0 HD2 PRO A 53 -4.378 -10.255 5.899 1.00 24.34 H new ATOM 0 HD3 PRO A 53 -4.379 -11.638 4.823 1.00 24.34 H new ATOM 876 N ILE A 54 -0.928 -7.177 4.038 1.00 24.13 N ATOM 877 CA ILE A 54 -0.101 -6.140 4.678 1.00 74.55 C ATOM 878 C ILE A 54 -0.408 -4.777 4.045 1.00 25.10 C ATOM 879 O ILE A 54 -0.438 -4.649 2.818 1.00 15.52 O ATOM 880 CB ILE A 54 1.438 -6.486 4.585 1.00 2.04 C ATOM 881 CG1 ILE A 54 2.314 -5.338 5.184 1.00 35.33 C ATOM 882 CG2 ILE A 54 1.873 -6.842 3.144 1.00 31.24 C ATOM 883 CD1 ILE A 54 3.810 -5.602 5.170 1.00 72.04 C ATOM 0 H ILE A 54 -0.915 -7.138 3.019 1.00 24.13 H new ATOM 0 HA ILE A 54 -0.349 -6.100 5.739 1.00 74.55 H new ATOM 0 HB ILE A 54 1.601 -7.378 5.189 1.00 2.04 H new ATOM 0 HG12 ILE A 54 2.116 -4.422 4.628 1.00 35.33 H new ATOM 0 HG13 ILE A 54 2.001 -5.160 6.213 1.00 35.33 H new ATOM 0 HG21 ILE A 54 2.938 -7.072 3.132 1.00 31.24 H new ATOM 0 HG22 ILE A 54 1.311 -7.709 2.798 1.00 31.24 H new ATOM 0 HG23 ILE A 54 1.677 -5.996 2.485 1.00 31.24 H new ATOM 0 HD11 ILE A 54 4.334 -4.751 5.605 1.00 72.04 H new ATOM 0 HD12 ILE A 54 4.027 -6.498 5.752 1.00 72.04 H new ATOM 0 HD13 ILE A 54 4.144 -5.747 4.143 1.00 72.04 H new ATOM 895 N VAL A 55 -0.671 -3.764 4.894 1.00 65.21 N ATOM 896 CA VAL A 55 -1.067 -2.423 4.432 1.00 43.31 C ATOM 897 C VAL A 55 0.040 -1.413 4.779 1.00 1.23 C ATOM 898 O VAL A 55 0.257 -1.128 5.954 1.00 43.22 O ATOM 899 CB VAL A 55 -2.440 -1.965 5.058 1.00 51.32 C ATOM 900 CG1 VAL A 55 -2.990 -0.728 4.328 1.00 13.41 C ATOM 901 CG2 VAL A 55 -3.481 -3.099 5.048 1.00 52.53 C ATOM 0 H VAL A 55 -0.615 -3.852 5.909 1.00 65.21 H new ATOM 0 HA VAL A 55 -1.203 -2.465 3.351 1.00 43.31 H new ATOM 0 HB VAL A 55 -2.247 -1.701 6.098 1.00 51.32 H new ATOM 0 HG11 VAL A 55 -3.937 -0.431 4.778 1.00 13.41 H new ATOM 0 HG12 VAL A 55 -2.276 0.091 4.412 1.00 13.41 H new ATOM 0 HG13 VAL A 55 -3.147 -0.966 3.276 1.00 13.41 H new ATOM 0 HG21 VAL A 55 -4.412 -2.742 5.488 1.00 52.53 H new ATOM 0 HG22 VAL A 55 -3.663 -3.417 4.021 1.00 52.53 H new ATOM 0 HG23 VAL A 55 -3.106 -3.942 5.628 1.00 52.53 H new ATOM 911 N ILE A 56 0.733 -0.887 3.748 1.00 23.15 N ATOM 912 CA ILE A 56 1.867 0.040 3.939 1.00 1.02 C ATOM 913 C ILE A 56 1.376 1.496 3.880 1.00 31.14 C ATOM 914 O ILE A 56 0.971 1.977 2.828 1.00 71.42 O ATOM 915 CB ILE A 56 2.995 -0.214 2.861 1.00 61.21 C ATOM 916 CG1 ILE A 56 3.518 -1.685 2.948 1.00 40.31 C ATOM 917 CG2 ILE A 56 4.174 0.791 3.001 1.00 55.41 C ATOM 918 CD1 ILE A 56 4.149 -2.054 4.284 1.00 34.40 C ATOM 0 H ILE A 56 0.525 -1.090 2.770 1.00 23.15 H new ATOM 0 HA ILE A 56 2.299 -0.144 4.923 1.00 1.02 H new ATOM 0 HB ILE A 56 2.546 -0.055 1.880 1.00 61.21 H new ATOM 0 HG12 ILE A 56 2.688 -2.364 2.753 1.00 40.31 H new ATOM 0 HG13 ILE A 56 4.252 -1.843 2.158 1.00 40.31 H new ATOM 0 HG21 ILE A 56 4.925 0.579 2.240 1.00 55.41 H new ATOM 0 HG22 ILE A 56 3.803 1.808 2.871 1.00 55.41 H new ATOM 0 HG23 ILE A 56 4.621 0.692 3.990 1.00 55.41 H new ATOM 0 HD11 ILE A 56 4.483 -3.091 4.254 1.00 34.40 H new ATOM 0 HD12 ILE A 56 5.002 -1.403 4.476 1.00 34.40 H new ATOM 0 HD13 ILE A 56 3.414 -1.932 5.080 1.00 34.40 H new ATOM 930 N PHE A 57 1.419 2.178 5.035 1.00 64.00 N ATOM 931 CA PHE A 57 0.995 3.583 5.161 1.00 23.15 C ATOM 932 C PHE A 57 2.207 4.517 5.031 1.00 13.25 C ATOM 933 O PHE A 57 3.088 4.538 5.899 1.00 1.23 O ATOM 934 CB PHE A 57 0.276 3.811 6.517 1.00 33.22 C ATOM 935 CG PHE A 57 -1.102 3.173 6.580 1.00 61.30 C ATOM 936 CD1 PHE A 57 -1.274 1.861 7.017 1.00 73.12 C ATOM 937 CD2 PHE A 57 -2.229 3.891 6.192 1.00 24.32 C ATOM 938 CE1 PHE A 57 -2.533 1.297 7.046 1.00 5.41 C ATOM 939 CE2 PHE A 57 -3.478 3.325 6.216 1.00 41.55 C ATOM 940 CZ PHE A 57 -3.628 2.032 6.647 1.00 52.35 C ATOM 0 H PHE A 57 1.749 1.771 5.910 1.00 64.00 H new ATOM 0 HA PHE A 57 0.294 3.810 4.358 1.00 23.15 H new ATOM 0 HB2 PHE A 57 0.893 3.408 7.320 1.00 33.22 H new ATOM 0 HB3 PHE A 57 0.182 4.882 6.695 1.00 33.22 H new ATOM 0 HD1 PHE A 57 -0.418 1.283 7.334 1.00 73.12 H new ATOM 0 HD2 PHE A 57 -2.118 4.914 5.865 1.00 24.32 H new ATOM 0 HE1 PHE A 57 -2.660 0.278 7.382 1.00 5.41 H new ATOM 0 HE2 PHE A 57 -4.339 3.894 5.897 1.00 41.55 H new ATOM 0 HZ PHE A 57 -4.611 1.587 6.674 1.00 52.35 H new ATOM 950 N ILE A 58 2.235 5.270 3.923 1.00 33.10 N ATOM 951 CA ILE A 58 3.294 6.251 3.608 1.00 72.04 C ATOM 952 C ILE A 58 2.695 7.441 2.841 1.00 4.12 C ATOM 953 O ILE A 58 1.602 7.352 2.278 1.00 31.42 O ATOM 954 CB ILE A 58 4.454 5.626 2.750 1.00 14.32 C ATOM 955 CG1 ILE A 58 3.864 4.859 1.535 1.00 71.35 C ATOM 956 CG2 ILE A 58 5.383 4.727 3.599 1.00 14.30 C ATOM 957 CD1 ILE A 58 4.903 4.215 0.660 1.00 51.01 C ATOM 0 H ILE A 58 1.512 5.217 3.205 1.00 33.10 H new ATOM 0 HA ILE A 58 3.715 6.579 4.558 1.00 72.04 H new ATOM 0 HB ILE A 58 5.075 6.440 2.375 1.00 14.32 H new ATOM 0 HG12 ILE A 58 3.182 4.090 1.899 1.00 71.35 H new ATOM 0 HG13 ILE A 58 3.274 5.550 0.933 1.00 71.35 H new ATOM 0 HG21 ILE A 58 6.170 4.316 2.966 1.00 14.30 H new ATOM 0 HG22 ILE A 58 5.831 5.318 4.397 1.00 14.30 H new ATOM 0 HG23 ILE A 58 4.804 3.912 4.033 1.00 14.30 H new ATOM 0 HD11 ILE A 58 4.414 3.699 -0.166 1.00 51.01 H new ATOM 0 HD12 ILE A 58 5.571 4.980 0.265 1.00 51.01 H new ATOM 0 HD13 ILE A 58 5.478 3.498 1.246 1.00 51.01 H new ATOM 969 N ARG A 59 3.427 8.554 2.841 1.00 51.14 N ATOM 970 CA ARG A 59 3.021 9.795 2.154 1.00 64.44 C ATOM 971 C ARG A 59 3.645 9.812 0.734 1.00 63.45 C ATOM 972 O ARG A 59 4.566 9.033 0.466 1.00 63.43 O ATOM 973 CB ARG A 59 3.473 10.998 3.037 1.00 53.43 C ATOM 974 CG ARG A 59 2.802 12.355 2.751 1.00 70.21 C ATOM 975 CD ARG A 59 3.316 13.461 3.696 1.00 44.05 C ATOM 976 NE ARG A 59 2.647 14.755 3.468 1.00 63.41 N ATOM 977 CZ ARG A 59 2.726 15.824 4.288 1.00 10.12 C ATOM 978 NH1 ARG A 59 3.463 15.780 5.407 1.00 21.34 N ATOM 979 NH2 ARG A 59 2.103 16.945 3.954 1.00 14.23 N ATOM 0 H ARG A 59 4.325 8.628 3.319 1.00 51.14 H new ATOM 0 HA ARG A 59 1.941 9.860 2.024 1.00 64.44 H new ATOM 0 HB2 ARG A 59 3.291 10.742 4.081 1.00 53.43 H new ATOM 0 HB3 ARG A 59 4.550 11.120 2.921 1.00 53.43 H new ATOM 0 HG2 ARG A 59 2.992 12.643 1.717 1.00 70.21 H new ATOM 0 HG3 ARG A 59 1.722 12.256 2.861 1.00 70.21 H new ATOM 0 HD2 ARG A 59 3.160 13.152 4.730 1.00 44.05 H new ATOM 0 HD3 ARG A 59 4.390 13.582 3.558 1.00 44.05 H new ATOM 0 HE ARG A 59 2.080 14.850 2.625 1.00 63.41 H new ATOM 0 HH11 ARG A 59 3.974 14.931 5.648 1.00 21.34 H new ATOM 0 HH12 ARG A 59 3.513 16.596 6.017 1.00 21.34 H new ATOM 0 HH21 ARG A 59 1.571 16.993 3.085 1.00 14.23 H new ATOM 0 HH22 ARG A 59 2.156 17.759 4.566 1.00 14.23 H new ATOM 993 N GLY A 60 3.148 10.711 -0.149 1.00 40.14 N ATOM 994 CA GLY A 60 3.529 10.745 -1.581 1.00 52.52 C ATOM 995 C GLY A 60 5.034 10.868 -1.857 1.00 51.53 C ATOM 996 O GLY A 60 5.521 10.391 -2.887 1.00 3.53 O ATOM 0 H GLY A 60 2.474 11.431 0.111 1.00 40.14 H new ATOM 0 HA2 GLY A 60 3.162 9.837 -2.059 1.00 52.52 H new ATOM 0 HA3 GLY A 60 3.020 11.584 -2.056 1.00 52.52 H new ATOM 1000 N ALA A 61 5.761 11.503 -0.923 1.00 33.35 N ATOM 1001 CA ALA A 61 7.225 11.633 -0.985 1.00 65.04 C ATOM 1002 C ALA A 61 7.906 10.268 -0.765 1.00 11.41 C ATOM 1003 O ALA A 61 8.788 9.854 -1.530 1.00 22.31 O ATOM 1004 CB ALA A 61 7.692 12.646 0.066 1.00 72.53 C ATOM 0 H ALA A 61 5.347 11.942 -0.101 1.00 33.35 H new ATOM 0 HA ALA A 61 7.508 11.989 -1.976 1.00 65.04 H new ATOM 0 HB1 ALA A 61 8.777 12.743 0.021 1.00 72.53 H new ATOM 0 HB2 ALA A 61 7.232 13.614 -0.132 1.00 72.53 H new ATOM 0 HB3 ALA A 61 7.399 12.302 1.058 1.00 72.53 H new ATOM 1010 N TYR A 62 7.453 9.573 0.287 1.00 44.14 N ATOM 1011 CA TYR A 62 7.973 8.254 0.699 1.00 23.04 C ATOM 1012 C TYR A 62 7.604 7.157 -0.314 1.00 22.32 C ATOM 1013 O TYR A 62 8.276 6.128 -0.381 1.00 51.41 O ATOM 1014 CB TYR A 62 7.457 7.874 2.102 1.00 11.11 C ATOM 1015 CG TYR A 62 7.742 8.922 3.184 1.00 74.14 C ATOM 1016 CD1 TYR A 62 8.982 9.008 3.818 1.00 2.41 C ATOM 1017 CD2 TYR A 62 6.759 9.827 3.571 1.00 53.33 C ATOM 1018 CE1 TYR A 62 9.219 9.954 4.798 1.00 4.54 C ATOM 1019 CE2 TYR A 62 6.992 10.769 4.545 1.00 54.33 C ATOM 1020 CZ TYR A 62 8.222 10.830 5.155 1.00 74.24 C ATOM 1021 OH TYR A 62 8.445 11.771 6.138 1.00 55.20 O ATOM 0 H TYR A 62 6.703 9.914 0.888 1.00 44.14 H new ATOM 0 HA TYR A 62 9.060 8.332 0.732 1.00 23.04 H new ATOM 0 HB2 TYR A 62 6.381 7.708 2.048 1.00 11.11 H new ATOM 0 HB3 TYR A 62 7.911 6.929 2.400 1.00 11.11 H new ATOM 0 HD1 TYR A 62 9.770 8.324 3.539 1.00 2.41 H new ATOM 0 HD2 TYR A 62 5.790 9.789 3.095 1.00 53.33 H new ATOM 0 HE1 TYR A 62 10.184 10.004 5.281 1.00 4.54 H new ATOM 0 HE2 TYR A 62 6.211 11.459 4.830 1.00 54.33 H new ATOM 0 HH TYR A 62 7.636 12.309 6.265 1.00 55.20 H new ATOM 1031 N GLU A 63 6.487 7.365 -1.039 1.00 45.01 N ATOM 1032 CA GLU A 63 6.016 6.441 -2.086 1.00 54.33 C ATOM 1033 C GLU A 63 7.100 6.175 -3.153 1.00 14.24 C ATOM 1034 O GLU A 63 7.150 5.082 -3.723 1.00 70.54 O ATOM 1035 CB GLU A 63 4.737 6.982 -2.758 1.00 71.10 C ATOM 1036 CG GLU A 63 4.120 5.998 -3.786 1.00 43.10 C ATOM 1037 CD GLU A 63 2.993 6.575 -4.653 1.00 40.14 C ATOM 1038 OE1 GLU A 63 3.174 7.645 -5.280 1.00 12.32 O ATOM 1039 OE2 GLU A 63 1.927 5.935 -4.745 1.00 2.43 O ATOM 0 H GLU A 63 5.886 8.180 -0.914 1.00 45.01 H new ATOM 0 HA GLU A 63 5.789 5.494 -1.597 1.00 54.33 H new ATOM 0 HB2 GLU A 63 3.997 7.204 -1.989 1.00 71.10 H new ATOM 0 HB3 GLU A 63 4.968 7.922 -3.259 1.00 71.10 H new ATOM 0 HG2 GLU A 63 4.913 5.640 -4.442 1.00 43.10 H new ATOM 0 HG3 GLU A 63 3.735 5.131 -3.249 1.00 43.10 H new ATOM 1046 N GLU A 64 7.987 7.172 -3.372 1.00 60.24 N ATOM 1047 CA GLU A 64 9.118 7.057 -4.315 1.00 34.41 C ATOM 1048 C GLU A 64 9.987 5.808 -4.012 1.00 44.10 C ATOM 1049 O GLU A 64 10.447 5.113 -4.923 1.00 21.53 O ATOM 1050 CB GLU A 64 9.984 8.339 -4.259 1.00 74.25 C ATOM 1051 CG GLU A 64 11.137 8.365 -5.277 1.00 63.23 C ATOM 1052 CD GLU A 64 12.005 9.625 -5.188 1.00 12.22 C ATOM 1053 OE1 GLU A 64 11.502 10.726 -5.498 1.00 63.41 O ATOM 1054 OE2 GLU A 64 13.193 9.521 -4.818 1.00 42.24 O ATOM 0 H GLU A 64 7.938 8.075 -2.901 1.00 60.24 H new ATOM 0 HA GLU A 64 8.710 6.941 -5.319 1.00 34.41 H new ATOM 0 HB2 GLU A 64 9.344 9.204 -4.430 1.00 74.25 H new ATOM 0 HB3 GLU A 64 10.397 8.441 -3.256 1.00 74.25 H new ATOM 0 HG2 GLU A 64 11.766 7.489 -5.123 1.00 63.23 H new ATOM 0 HG3 GLU A 64 10.724 8.288 -6.283 1.00 63.23 H new ATOM 1061 N VAL A 65 10.115 5.513 -2.717 1.00 41.32 N ATOM 1062 CA VAL A 65 10.926 4.408 -2.186 1.00 44.24 C ATOM 1063 C VAL A 65 10.317 3.018 -2.541 1.00 43.51 C ATOM 1064 O VAL A 65 11.062 2.035 -2.669 1.00 53.05 O ATOM 1065 CB VAL A 65 11.094 4.582 -0.633 1.00 63.34 C ATOM 1066 CG1 VAL A 65 12.014 3.526 -0.018 1.00 60.42 C ATOM 1067 CG2 VAL A 65 11.575 6.015 -0.279 1.00 55.11 C ATOM 0 H VAL A 65 9.646 6.049 -1.986 1.00 41.32 H new ATOM 0 HA VAL A 65 11.909 4.443 -2.656 1.00 44.24 H new ATOM 0 HB VAL A 65 10.108 4.432 -0.194 1.00 63.34 H new ATOM 0 HG11 VAL A 65 12.094 3.694 1.056 1.00 60.42 H new ATOM 0 HG12 VAL A 65 11.602 2.534 -0.200 1.00 60.42 H new ATOM 0 HG13 VAL A 65 13.003 3.597 -0.471 1.00 60.42 H new ATOM 0 HG21 VAL A 65 11.682 6.106 0.802 1.00 55.11 H new ATOM 0 HG22 VAL A 65 12.536 6.204 -0.756 1.00 55.11 H new ATOM 0 HG23 VAL A 65 10.844 6.742 -0.634 1.00 55.11 H new ATOM 1077 N VAL A 66 8.964 2.952 -2.716 1.00 53.23 N ATOM 1078 CA VAL A 66 8.238 1.698 -3.083 1.00 11.30 C ATOM 1079 C VAL A 66 8.822 1.044 -4.348 1.00 4.02 C ATOM 1080 O VAL A 66 8.846 -0.169 -4.440 1.00 62.11 O ATOM 1081 CB VAL A 66 6.687 1.929 -3.279 1.00 70.14 C ATOM 1082 CG1 VAL A 66 5.923 0.638 -3.696 1.00 63.01 C ATOM 1083 CG2 VAL A 66 6.073 2.514 -2.003 1.00 74.44 C ATOM 0 H VAL A 66 8.351 3.760 -2.608 1.00 53.23 H new ATOM 0 HA VAL A 66 8.378 1.023 -2.239 1.00 11.30 H new ATOM 0 HB VAL A 66 6.580 2.637 -4.101 1.00 70.14 H new ATOM 0 HG11 VAL A 66 4.863 0.864 -3.814 1.00 63.01 H new ATOM 0 HG12 VAL A 66 6.322 0.268 -4.640 1.00 63.01 H new ATOM 0 HG13 VAL A 66 6.048 -0.123 -2.926 1.00 63.01 H new ATOM 0 HG21 VAL A 66 5.004 2.668 -2.151 1.00 74.44 H new ATOM 0 HG22 VAL A 66 6.228 1.823 -1.175 1.00 74.44 H new ATOM 0 HG23 VAL A 66 6.549 3.467 -1.774 1.00 74.44 H new ATOM 1093 N ARG A 67 9.331 1.864 -5.283 1.00 15.31 N ATOM 1094 CA ARG A 67 9.942 1.393 -6.554 1.00 32.02 C ATOM 1095 C ARG A 67 11.066 0.338 -6.310 1.00 4.32 C ATOM 1096 O ARG A 67 11.228 -0.599 -7.095 1.00 22.34 O ATOM 1097 CB ARG A 67 10.486 2.628 -7.353 1.00 1.14 C ATOM 1098 CG ARG A 67 9.707 2.982 -8.644 1.00 73.52 C ATOM 1099 CD ARG A 67 9.937 1.975 -9.775 1.00 52.31 C ATOM 1100 NE ARG A 67 11.370 1.850 -10.095 1.00 43.42 N ATOM 1101 CZ ARG A 67 11.902 1.001 -10.987 1.00 22.22 C ATOM 1102 NH1 ARG A 67 11.139 0.169 -11.689 1.00 72.24 N ATOM 1103 NH2 ARG A 67 13.219 0.969 -11.156 1.00 64.43 N ATOM 0 H ARG A 67 9.334 2.879 -5.185 1.00 15.31 H new ATOM 0 HA ARG A 67 9.173 0.891 -7.142 1.00 32.02 H new ATOM 0 HB2 ARG A 67 10.478 3.497 -6.695 1.00 1.14 H new ATOM 0 HB3 ARG A 67 11.526 2.438 -7.618 1.00 1.14 H new ATOM 0 HG2 ARG A 67 8.642 3.029 -8.418 1.00 73.52 H new ATOM 0 HG3 ARG A 67 10.006 3.974 -8.982 1.00 73.52 H new ATOM 0 HD2 ARG A 67 9.540 1.002 -9.485 1.00 52.31 H new ATOM 0 HD3 ARG A 67 9.390 2.291 -10.663 1.00 52.31 H new ATOM 0 HE ARG A 67 12.014 2.463 -9.594 1.00 43.42 H new ATOM 0 HH11 ARG A 67 10.128 0.168 -11.555 1.00 72.24 H new ATOM 0 HH12 ARG A 67 11.565 -0.468 -12.362 1.00 72.24 H new ATOM 0 HH21 ARG A 67 13.818 1.587 -10.609 1.00 64.43 H new ATOM 0 HH22 ARG A 67 13.631 0.326 -11.832 1.00 64.43 H new ATOM 1117 N ASP A 68 11.806 0.510 -5.206 1.00 43.24 N ATOM 1118 CA ASP A 68 12.836 -0.454 -4.744 1.00 53.40 C ATOM 1119 C ASP A 68 12.180 -1.713 -4.112 1.00 14.32 C ATOM 1120 O ASP A 68 12.607 -2.851 -4.357 1.00 22.11 O ATOM 1121 CB ASP A 68 13.768 0.265 -3.725 1.00 54.35 C ATOM 1122 CG ASP A 68 14.747 -0.669 -2.992 1.00 1.14 C ATOM 1123 OD1 ASP A 68 15.832 -0.977 -3.530 1.00 31.45 O ATOM 1124 OD2 ASP A 68 14.433 -1.102 -1.871 1.00 64.01 O ATOM 0 H ASP A 68 11.712 1.324 -4.599 1.00 43.24 H new ATOM 0 HA ASP A 68 13.424 -0.796 -5.596 1.00 53.40 H new ATOM 0 HB2 ASP A 68 14.339 1.030 -4.250 1.00 54.35 H new ATOM 0 HB3 ASP A 68 13.152 0.778 -2.986 1.00 54.35 H new ATOM 1129 N ILE A 69 11.129 -1.473 -3.315 1.00 2.13 N ATOM 1130 CA ILE A 69 10.385 -2.513 -2.565 1.00 63.12 C ATOM 1131 C ILE A 69 9.598 -3.452 -3.526 1.00 43.25 C ATOM 1132 O ILE A 69 9.383 -4.636 -3.210 1.00 3.13 O ATOM 1133 CB ILE A 69 9.410 -1.836 -1.522 1.00 0.40 C ATOM 1134 CG1 ILE A 69 10.179 -0.782 -0.653 1.00 11.14 C ATOM 1135 CG2 ILE A 69 8.716 -2.891 -0.624 1.00 1.30 C ATOM 1136 CD1 ILE A 69 9.300 0.078 0.250 1.00 22.33 C ATOM 0 H ILE A 69 10.760 -0.534 -3.166 1.00 2.13 H new ATOM 0 HA ILE A 69 11.107 -3.126 -2.026 1.00 63.12 H new ATOM 0 HB ILE A 69 8.630 -1.320 -2.082 1.00 0.40 H new ATOM 0 HG12 ILE A 69 10.906 -1.306 -0.033 1.00 11.14 H new ATOM 0 HG13 ILE A 69 10.741 -0.126 -1.318 1.00 11.14 H new ATOM 0 HG21 ILE A 69 8.053 -2.389 0.081 1.00 1.30 H new ATOM 0 HG22 ILE A 69 8.136 -3.573 -1.246 1.00 1.30 H new ATOM 0 HG23 ILE A 69 9.470 -3.454 -0.075 1.00 1.30 H new ATOM 0 HD11 ILE A 69 9.925 0.775 0.809 1.00 22.33 H new ATOM 0 HD12 ILE A 69 8.589 0.637 -0.359 1.00 22.33 H new ATOM 0 HD13 ILE A 69 8.757 -0.562 0.946 1.00 22.33 H new ATOM 1148 N VAL A 70 9.192 -2.898 -4.701 1.00 75.02 N ATOM 1149 CA VAL A 70 8.384 -3.594 -5.736 1.00 42.55 C ATOM 1150 C VAL A 70 9.007 -4.953 -6.114 1.00 24.42 C ATOM 1151 O VAL A 70 8.295 -5.966 -6.166 1.00 14.12 O ATOM 1152 CB VAL A 70 8.230 -2.684 -7.032 1.00 21.04 C ATOM 1153 CG1 VAL A 70 7.800 -3.479 -8.289 1.00 40.53 C ATOM 1154 CG2 VAL A 70 7.248 -1.513 -6.784 1.00 34.03 C ATOM 0 H VAL A 70 9.422 -1.938 -4.958 1.00 75.02 H new ATOM 0 HA VAL A 70 7.396 -3.779 -5.314 1.00 42.55 H new ATOM 0 HB VAL A 70 9.224 -2.283 -7.231 1.00 21.04 H new ATOM 0 HG11 VAL A 70 7.713 -2.800 -9.137 1.00 40.53 H new ATOM 0 HG12 VAL A 70 8.547 -4.242 -8.510 1.00 40.53 H new ATOM 0 HG13 VAL A 70 6.837 -3.956 -8.106 1.00 40.53 H new ATOM 0 HG21 VAL A 70 7.165 -0.910 -7.688 1.00 34.03 H new ATOM 0 HG22 VAL A 70 6.268 -1.910 -6.521 1.00 34.03 H new ATOM 0 HG23 VAL A 70 7.619 -0.893 -5.968 1.00 34.03 H new ATOM 1164 N GLU A 71 10.342 -4.951 -6.324 1.00 53.30 N ATOM 1165 CA GLU A 71 11.105 -6.154 -6.693 1.00 43.14 C ATOM 1166 C GLU A 71 10.878 -7.295 -5.696 1.00 31.14 C ATOM 1167 O GLU A 71 10.539 -8.403 -6.103 1.00 1.31 O ATOM 1168 CB GLU A 71 12.623 -5.841 -6.788 1.00 75.25 C ATOM 1169 CG GLU A 71 13.505 -7.064 -7.153 1.00 14.34 C ATOM 1170 CD GLU A 71 15.013 -6.802 -7.009 1.00 25.35 C ATOM 1171 OE1 GLU A 71 15.521 -6.859 -5.871 1.00 72.33 O ATOM 1172 OE2 GLU A 71 15.691 -6.537 -8.023 1.00 23.22 O ATOM 0 H GLU A 71 10.917 -4.113 -6.241 1.00 53.30 H new ATOM 0 HA GLU A 71 10.743 -6.473 -7.670 1.00 43.14 H new ATOM 0 HB2 GLU A 71 12.775 -5.062 -7.535 1.00 75.25 H new ATOM 0 HB3 GLU A 71 12.959 -5.437 -5.833 1.00 75.25 H new ATOM 0 HG2 GLU A 71 13.228 -7.904 -6.515 1.00 14.34 H new ATOM 0 HG3 GLU A 71 13.293 -7.360 -8.180 1.00 14.34 H new ATOM 1179 N TYR A 72 11.023 -6.980 -4.395 1.00 35.25 N ATOM 1180 CA TYR A 72 10.941 -7.974 -3.315 1.00 41.53 C ATOM 1181 C TYR A 72 9.585 -8.698 -3.320 1.00 14.32 C ATOM 1182 O TYR A 72 9.535 -9.929 -3.335 1.00 73.34 O ATOM 1183 CB TYR A 72 11.187 -7.305 -1.937 1.00 63.11 C ATOM 1184 CG TYR A 72 11.313 -8.317 -0.781 1.00 4.14 C ATOM 1185 CD1 TYR A 72 10.187 -8.800 -0.105 1.00 33.20 C ATOM 1186 CD2 TYR A 72 12.559 -8.827 -0.402 1.00 62.03 C ATOM 1187 CE1 TYR A 72 10.302 -9.741 0.894 1.00 43.12 C ATOM 1188 CE2 TYR A 72 12.671 -9.777 0.592 1.00 10.35 C ATOM 1189 CZ TYR A 72 11.541 -10.229 1.232 1.00 64.12 C ATOM 1190 OH TYR A 72 11.652 -11.187 2.205 1.00 2.55 O ATOM 0 H TYR A 72 11.200 -6.031 -4.066 1.00 35.25 H new ATOM 0 HA TYR A 72 11.720 -8.716 -3.490 1.00 41.53 H new ATOM 0 HB2 TYR A 72 12.097 -6.708 -1.988 1.00 63.11 H new ATOM 0 HB3 TYR A 72 10.367 -6.619 -1.722 1.00 63.11 H new ATOM 0 HD1 TYR A 72 9.209 -8.428 -0.372 1.00 33.20 H new ATOM 0 HD2 TYR A 72 13.450 -8.470 -0.897 1.00 62.03 H new ATOM 0 HE1 TYR A 72 9.421 -10.094 1.410 1.00 43.12 H new ATOM 0 HE2 TYR A 72 13.641 -10.164 0.866 1.00 10.35 H new ATOM 0 HH TYR A 72 12.595 -11.425 2.323 1.00 2.55 H new ATOM 1200 N ALA A 73 8.498 -7.909 -3.318 1.00 62.13 N ATOM 1201 CA ALA A 73 7.124 -8.435 -3.264 1.00 32.22 C ATOM 1202 C ALA A 73 6.787 -9.284 -4.510 1.00 23.15 C ATOM 1203 O ALA A 73 6.053 -10.269 -4.414 1.00 75.32 O ATOM 1204 CB ALA A 73 6.134 -7.281 -3.089 1.00 64.22 C ATOM 0 H ALA A 73 8.547 -6.891 -3.354 1.00 62.13 H new ATOM 0 HA ALA A 73 7.043 -9.099 -2.403 1.00 32.22 H new ATOM 0 HB1 ALA A 73 5.119 -7.675 -3.050 1.00 64.22 H new ATOM 0 HB2 ALA A 73 6.353 -6.751 -2.162 1.00 64.22 H new ATOM 0 HB3 ALA A 73 6.224 -6.594 -3.930 1.00 64.22 H new ATOM 1210 N GLN A 74 7.351 -8.901 -5.672 1.00 14.01 N ATOM 1211 CA GLN A 74 7.191 -9.657 -6.933 1.00 14.13 C ATOM 1212 C GLN A 74 8.051 -10.948 -6.941 1.00 54.13 C ATOM 1213 O GLN A 74 7.660 -11.943 -7.555 1.00 64.54 O ATOM 1214 CB GLN A 74 7.516 -8.754 -8.150 1.00 4.22 C ATOM 1215 CG GLN A 74 6.524 -7.579 -8.335 1.00 42.11 C ATOM 1216 CD GLN A 74 6.818 -6.689 -9.549 1.00 71.41 C ATOM 1217 OE1 GLN A 74 7.962 -6.553 -9.982 1.00 34.33 O ATOM 1218 NE2 GLN A 74 5.792 -6.043 -10.081 1.00 41.24 N ATOM 0 H GLN A 74 7.927 -8.064 -5.765 1.00 14.01 H new ATOM 0 HA GLN A 74 6.149 -9.969 -7.007 1.00 14.13 H new ATOM 0 HB2 GLN A 74 8.523 -8.353 -8.035 1.00 4.22 H new ATOM 0 HB3 GLN A 74 7.516 -9.363 -9.054 1.00 4.22 H new ATOM 0 HG2 GLN A 74 5.516 -7.982 -8.430 1.00 42.11 H new ATOM 0 HG3 GLN A 74 6.537 -6.963 -7.436 1.00 42.11 H new ATOM 0 HE21 GLN A 74 4.854 -6.175 -9.702 1.00 41.24 H new ATOM 0 HE22 GLN A 74 5.939 -5.414 -10.870 1.00 41.24 H new ATOM 1227 N LYS A 75 9.212 -10.934 -6.251 1.00 62.34 N ATOM 1228 CA LYS A 75 10.051 -12.148 -6.066 1.00 62.10 C ATOM 1229 C LYS A 75 9.318 -13.148 -5.145 1.00 53.11 C ATOM 1230 O LYS A 75 9.458 -14.361 -5.293 1.00 44.33 O ATOM 1231 CB LYS A 75 11.450 -11.799 -5.471 1.00 63.15 C ATOM 1232 CG LYS A 75 12.379 -10.949 -6.370 1.00 2.42 C ATOM 1233 CD LYS A 75 12.744 -11.646 -7.698 1.00 42.21 C ATOM 1234 CE LYS A 75 13.697 -10.806 -8.567 1.00 12.32 C ATOM 1235 NZ LYS A 75 14.999 -10.530 -7.890 1.00 55.12 N ATOM 0 H LYS A 75 9.594 -10.097 -5.811 1.00 62.34 H new ATOM 0 HA LYS A 75 10.214 -12.598 -7.045 1.00 62.10 H new ATOM 0 HB2 LYS A 75 11.300 -11.267 -4.532 1.00 63.15 H new ATOM 0 HB3 LYS A 75 11.963 -12.730 -5.231 1.00 63.15 H new ATOM 0 HG2 LYS A 75 11.893 -9.998 -6.588 1.00 2.42 H new ATOM 0 HG3 LYS A 75 13.294 -10.721 -5.823 1.00 2.42 H new ATOM 0 HD2 LYS A 75 13.208 -12.608 -7.483 1.00 42.21 H new ATOM 0 HD3 LYS A 75 11.832 -11.850 -8.259 1.00 42.21 H new ATOM 0 HE2 LYS A 75 13.883 -11.329 -9.505 1.00 12.32 H new ATOM 0 HE3 LYS A 75 13.215 -9.861 -8.819 1.00 12.32 H new ATOM 0 HZ1 LYS A 75 15.652 -10.081 -8.563 1.00 55.12 H new ATOM 0 HZ2 LYS A 75 14.842 -9.893 -7.083 1.00 55.12 H new ATOM 0 HZ3 LYS A 75 15.411 -11.423 -7.552 1.00 55.12 H new ATOM 1249 N GLU A 76 8.528 -12.596 -4.200 1.00 62.55 N ATOM 1250 CA GLU A 76 7.652 -13.373 -3.301 1.00 23.31 C ATOM 1251 C GLU A 76 6.370 -13.848 -4.026 1.00 12.45 C ATOM 1252 O GLU A 76 5.661 -14.731 -3.529 1.00 60.34 O ATOM 1253 CB GLU A 76 7.301 -12.514 -2.051 1.00 64.33 C ATOM 1254 CG GLU A 76 8.505 -12.124 -1.177 1.00 52.41 C ATOM 1255 CD GLU A 76 9.274 -13.335 -0.626 1.00 42.15 C ATOM 1256 OE1 GLU A 76 8.827 -13.916 0.373 1.00 40.02 O ATOM 1257 OE2 GLU A 76 10.317 -13.725 -1.202 1.00 25.51 O ATOM 0 H GLU A 76 8.481 -11.590 -4.039 1.00 62.55 H new ATOM 0 HA GLU A 76 8.186 -14.268 -2.982 1.00 23.31 H new ATOM 0 HB2 GLU A 76 6.800 -11.604 -2.382 1.00 64.33 H new ATOM 0 HB3 GLU A 76 6.588 -13.065 -1.438 1.00 64.33 H new ATOM 0 HG2 GLU A 76 9.186 -11.506 -1.763 1.00 52.41 H new ATOM 0 HG3 GLU A 76 8.158 -11.513 -0.344 1.00 52.41 H new ATOM 1264 N GLY A 77 6.091 -13.243 -5.198 1.00 14.13 N ATOM 1265 CA GLY A 77 4.940 -13.613 -6.033 1.00 2.23 C ATOM 1266 C GLY A 77 3.626 -13.020 -5.546 1.00 31.10 C ATOM 1267 O GLY A 77 2.550 -13.433 -5.993 1.00 21.21 O ATOM 0 H GLY A 77 6.656 -12.489 -5.587 1.00 14.13 H new ATOM 0 HA2 GLY A 77 5.122 -13.284 -7.056 1.00 2.23 H new ATOM 0 HA3 GLY A 77 4.853 -14.699 -6.058 1.00 2.23 H new ATOM 1271 N LEU A 78 3.726 -12.040 -4.635 1.00 11.22 N ATOM 1272 CA LEU A 78 2.565 -11.435 -3.966 1.00 30.22 C ATOM 1273 C LEU A 78 1.874 -10.408 -4.872 1.00 60.04 C ATOM 1274 O LEU A 78 2.500 -9.840 -5.779 1.00 30.33 O ATOM 1275 CB LEU A 78 2.996 -10.752 -2.636 1.00 3.25 C ATOM 1276 CG LEU A 78 3.831 -11.616 -1.639 1.00 2.50 C ATOM 1277 CD1 LEU A 78 4.014 -10.887 -0.295 1.00 41.42 C ATOM 1278 CD2 LEU A 78 3.236 -13.024 -1.442 1.00 43.11 C ATOM 0 H LEU A 78 4.619 -11.643 -4.341 1.00 11.22 H new ATOM 0 HA LEU A 78 1.858 -12.235 -3.747 1.00 30.22 H new ATOM 0 HB2 LEU A 78 3.576 -9.863 -2.883 1.00 3.25 H new ATOM 0 HB3 LEU A 78 2.097 -10.413 -2.121 1.00 3.25 H new ATOM 0 HG LEU A 78 4.816 -11.755 -2.084 1.00 2.50 H new ATOM 0 HD11 LEU A 78 4.599 -11.511 0.381 1.00 41.42 H new ATOM 0 HD12 LEU A 78 4.535 -9.944 -0.461 1.00 41.42 H new ATOM 0 HD13 LEU A 78 3.038 -10.689 0.148 1.00 41.42 H new ATOM 0 HD21 LEU A 78 3.853 -13.585 -0.740 1.00 43.11 H new ATOM 0 HD22 LEU A 78 2.223 -12.939 -1.048 1.00 43.11 H new ATOM 0 HD23 LEU A 78 3.210 -13.545 -2.399 1.00 43.11 H new ATOM 1290 N ARG A 79 0.579 -10.179 -4.603 1.00 54.01 N ATOM 1291 CA ARG A 79 -0.227 -9.169 -5.300 1.00 71.33 C ATOM 1292 C ARG A 79 0.267 -7.779 -4.848 1.00 51.34 C ATOM 1293 O ARG A 79 0.246 -7.479 -3.656 1.00 13.01 O ATOM 1294 CB ARG A 79 -1.749 -9.385 -4.961 1.00 45.13 C ATOM 1295 CG ARG A 79 -2.768 -8.856 -6.010 1.00 54.02 C ATOM 1296 CD ARG A 79 -2.771 -7.318 -6.189 1.00 2.22 C ATOM 1297 NE ARG A 79 -3.548 -6.885 -7.371 1.00 22.04 N ATOM 1298 CZ ARG A 79 -3.194 -7.099 -8.659 1.00 74.22 C ATOM 1299 NH1 ARG A 79 -2.083 -7.766 -8.964 1.00 4.43 N ATOM 1300 NH2 ARG A 79 -3.952 -6.625 -9.643 1.00 51.02 N ATOM 0 H ARG A 79 0.060 -10.693 -3.891 1.00 54.01 H new ATOM 0 HA ARG A 79 -0.120 -9.252 -6.381 1.00 71.33 H new ATOM 0 HB2 ARG A 79 -1.921 -10.453 -4.824 1.00 45.13 H new ATOM 0 HB3 ARG A 79 -1.959 -8.903 -4.006 1.00 45.13 H new ATOM 0 HG2 ARG A 79 -2.552 -9.320 -6.972 1.00 54.02 H new ATOM 0 HG3 ARG A 79 -3.768 -9.176 -5.719 1.00 54.02 H new ATOM 0 HD2 ARG A 79 -3.186 -6.853 -5.295 1.00 2.22 H new ATOM 0 HD3 ARG A 79 -1.744 -6.965 -6.284 1.00 2.22 H new ATOM 0 HE ARG A 79 -4.421 -6.385 -7.201 1.00 22.04 H new ATOM 0 HH11 ARG A 79 -1.483 -8.125 -8.221 1.00 4.43 H new ATOM 0 HH12 ARG A 79 -1.831 -7.918 -9.941 1.00 4.43 H new ATOM 0 HH21 ARG A 79 -4.800 -6.100 -9.426 1.00 51.02 H new ATOM 0 HH22 ARG A 79 -3.686 -6.786 -10.614 1.00 51.02 H new ATOM 1314 N VAL A 80 0.720 -6.953 -5.796 1.00 12.42 N ATOM 1315 CA VAL A 80 1.174 -5.583 -5.505 1.00 33.12 C ATOM 1316 C VAL A 80 0.092 -4.594 -5.972 1.00 2.43 C ATOM 1317 O VAL A 80 -0.263 -4.544 -7.158 1.00 23.35 O ATOM 1318 CB VAL A 80 2.576 -5.280 -6.176 1.00 11.33 C ATOM 1319 CG1 VAL A 80 3.729 -5.916 -5.371 1.00 53.42 C ATOM 1320 CG2 VAL A 80 2.623 -5.762 -7.653 1.00 41.51 C ATOM 0 H VAL A 80 0.784 -7.209 -6.781 1.00 12.42 H new ATOM 0 HA VAL A 80 1.321 -5.471 -4.431 1.00 33.12 H new ATOM 0 HB VAL A 80 2.704 -4.198 -6.170 1.00 11.33 H new ATOM 0 HG11 VAL A 80 4.679 -5.691 -5.856 1.00 53.42 H new ATOM 0 HG12 VAL A 80 3.733 -5.511 -4.359 1.00 53.42 H new ATOM 0 HG13 VAL A 80 3.590 -6.996 -5.328 1.00 53.42 H new ATOM 0 HG21 VAL A 80 3.601 -5.536 -8.078 1.00 41.51 H new ATOM 0 HG22 VAL A 80 2.451 -6.838 -7.690 1.00 41.51 H new ATOM 0 HG23 VAL A 80 1.851 -5.251 -8.227 1.00 41.51 H new ATOM 1330 N LEU A 81 -0.448 -3.836 -5.006 1.00 31.20 N ATOM 1331 CA LEU A 81 -1.601 -2.947 -5.203 1.00 32.34 C ATOM 1332 C LEU A 81 -1.325 -1.621 -4.481 1.00 53.44 C ATOM 1333 O LEU A 81 -1.345 -1.585 -3.256 1.00 52.03 O ATOM 1334 CB LEU A 81 -2.870 -3.655 -4.620 1.00 5.33 C ATOM 1335 CG LEU A 81 -4.270 -3.083 -4.997 1.00 1.32 C ATOM 1336 CD1 LEU A 81 -4.506 -3.176 -6.498 1.00 52.45 C ATOM 1337 CD2 LEU A 81 -5.401 -3.811 -4.237 1.00 1.11 C ATOM 0 H LEU A 81 -0.090 -3.824 -4.051 1.00 31.20 H new ATOM 0 HA LEU A 81 -1.768 -2.738 -6.260 1.00 32.34 H new ATOM 0 HB2 LEU A 81 -2.842 -4.699 -4.932 1.00 5.33 H new ATOM 0 HB3 LEU A 81 -2.788 -3.645 -3.533 1.00 5.33 H new ATOM 0 HG LEU A 81 -4.283 -2.034 -4.703 1.00 1.32 H new ATOM 0 HD11 LEU A 81 -5.489 -2.771 -6.738 1.00 52.45 H new ATOM 0 HD12 LEU A 81 -3.740 -2.604 -7.023 1.00 52.45 H new ATOM 0 HD13 LEU A 81 -4.458 -4.219 -6.810 1.00 52.45 H new ATOM 0 HD21 LEU A 81 -6.363 -3.387 -4.524 1.00 1.11 H new ATOM 0 HD22 LEU A 81 -5.383 -4.872 -4.487 1.00 1.11 H new ATOM 0 HD23 LEU A 81 -5.256 -3.688 -3.164 1.00 1.11 H new ATOM 1349 N VAL A 82 -1.055 -0.535 -5.223 1.00 13.52 N ATOM 1350 CA VAL A 82 -0.761 0.785 -4.621 1.00 33.34 C ATOM 1351 C VAL A 82 -2.001 1.688 -4.723 1.00 50.14 C ATOM 1352 O VAL A 82 -2.416 2.059 -5.810 1.00 72.03 O ATOM 1353 CB VAL A 82 0.487 1.484 -5.296 1.00 53.20 C ATOM 1354 CG1 VAL A 82 0.732 2.900 -4.717 1.00 32.40 C ATOM 1355 CG2 VAL A 82 1.758 0.607 -5.163 1.00 63.31 C ATOM 0 H VAL A 82 -1.033 -0.541 -6.243 1.00 13.52 H new ATOM 0 HA VAL A 82 -0.509 0.625 -3.573 1.00 33.34 H new ATOM 0 HB VAL A 82 0.261 1.596 -6.356 1.00 53.20 H new ATOM 0 HG11 VAL A 82 1.597 3.348 -5.205 1.00 32.40 H new ATOM 0 HG12 VAL A 82 -0.146 3.522 -4.892 1.00 32.40 H new ATOM 0 HG13 VAL A 82 0.917 2.828 -3.645 1.00 32.40 H new ATOM 0 HG21 VAL A 82 2.600 1.112 -5.636 1.00 63.31 H new ATOM 0 HG22 VAL A 82 1.979 0.444 -4.108 1.00 63.31 H new ATOM 0 HG23 VAL A 82 1.590 -0.353 -5.651 1.00 63.31 H new ATOM 1365 N ILE A 83 -2.574 2.036 -3.575 1.00 62.04 N ATOM 1366 CA ILE A 83 -3.771 2.881 -3.476 1.00 75.34 C ATOM 1367 C ILE A 83 -3.309 4.309 -3.175 1.00 65.21 C ATOM 1368 O ILE A 83 -2.809 4.572 -2.090 1.00 21.32 O ATOM 1369 CB ILE A 83 -4.706 2.365 -2.329 1.00 73.02 C ATOM 1370 CG1 ILE A 83 -4.986 0.845 -2.515 1.00 35.34 C ATOM 1371 CG2 ILE A 83 -6.024 3.180 -2.248 1.00 25.21 C ATOM 1372 CD1 ILE A 83 -5.600 0.188 -1.299 1.00 62.40 C ATOM 0 H ILE A 83 -2.217 1.736 -2.668 1.00 62.04 H new ATOM 0 HA ILE A 83 -4.334 2.850 -4.409 1.00 75.34 H new ATOM 0 HB ILE A 83 -4.192 2.510 -1.379 1.00 73.02 H new ATOM 0 HG12 ILE A 83 -5.653 0.709 -3.367 1.00 35.34 H new ATOM 0 HG13 ILE A 83 -4.051 0.339 -2.758 1.00 35.34 H new ATOM 0 HG21 ILE A 83 -6.644 2.790 -1.440 1.00 25.21 H new ATOM 0 HG22 ILE A 83 -5.793 4.228 -2.055 1.00 25.21 H new ATOM 0 HG23 ILE A 83 -6.563 3.095 -3.192 1.00 25.21 H new ATOM 0 HD11 ILE A 83 -5.767 -0.870 -1.502 1.00 62.40 H new ATOM 0 HD12 ILE A 83 -4.925 0.292 -0.449 1.00 62.40 H new ATOM 0 HD13 ILE A 83 -6.551 0.667 -1.068 1.00 62.40 H new ATOM 1384 N LYS A 84 -3.475 5.217 -4.133 1.00 35.45 N ATOM 1385 CA LYS A 84 -2.850 6.548 -4.092 1.00 61.55 C ATOM 1386 C LYS A 84 -3.909 7.638 -4.328 1.00 43.12 C ATOM 1387 O LYS A 84 -4.704 7.529 -5.266 1.00 13.34 O ATOM 1388 CB LYS A 84 -1.767 6.597 -5.202 1.00 10.31 C ATOM 1389 CG LYS A 84 -0.819 7.828 -5.161 1.00 73.11 C ATOM 1390 CD LYS A 84 -0.489 8.393 -6.557 1.00 4.03 C ATOM 1391 CE LYS A 84 -0.060 7.350 -7.609 1.00 34.33 C ATOM 1392 NZ LYS A 84 1.227 6.678 -7.281 1.00 52.54 N ATOM 0 H LYS A 84 -4.046 5.056 -4.963 1.00 35.45 H new ATOM 0 HA LYS A 84 -2.398 6.727 -3.116 1.00 61.55 H new ATOM 0 HB2 LYS A 84 -1.162 5.693 -5.135 1.00 10.31 H new ATOM 0 HB3 LYS A 84 -2.265 6.576 -6.172 1.00 10.31 H new ATOM 0 HG2 LYS A 84 -1.279 8.612 -4.559 1.00 73.11 H new ATOM 0 HG3 LYS A 84 0.109 7.547 -4.662 1.00 73.11 H new ATOM 0 HD2 LYS A 84 -1.365 8.923 -6.932 1.00 4.03 H new ATOM 0 HD3 LYS A 84 0.309 9.129 -6.453 1.00 4.03 H new ATOM 0 HE2 LYS A 84 -0.842 6.596 -7.703 1.00 34.33 H new ATOM 0 HE3 LYS A 84 0.030 7.839 -8.579 1.00 34.33 H new ATOM 0 HZ1 LYS A 84 1.434 5.954 -7.999 1.00 52.54 H new ATOM 0 HZ2 LYS A 84 1.993 7.382 -7.268 1.00 52.54 H new ATOM 0 HZ3 LYS A 84 1.155 6.228 -6.346 1.00 52.54 H new ATOM 1406 N VAL A 85 -3.920 8.690 -3.487 1.00 43.54 N ATOM 1407 CA VAL A 85 -4.807 9.852 -3.692 1.00 33.33 C ATOM 1408 C VAL A 85 -4.117 10.851 -4.643 1.00 21.44 C ATOM 1409 O VAL A 85 -3.179 11.560 -4.254 1.00 12.30 O ATOM 1410 CB VAL A 85 -5.213 10.549 -2.331 1.00 1.13 C ATOM 1411 CG1 VAL A 85 -6.159 11.756 -2.574 1.00 64.01 C ATOM 1412 CG2 VAL A 85 -5.853 9.526 -1.349 1.00 43.22 C ATOM 0 H VAL A 85 -3.326 8.759 -2.661 1.00 43.54 H new ATOM 0 HA VAL A 85 -5.735 9.499 -4.141 1.00 33.33 H new ATOM 0 HB VAL A 85 -4.302 10.932 -1.871 1.00 1.13 H new ATOM 0 HG11 VAL A 85 -6.419 12.213 -1.619 1.00 64.01 H new ATOM 0 HG12 VAL A 85 -5.657 12.491 -3.203 1.00 64.01 H new ATOM 0 HG13 VAL A 85 -7.066 11.413 -3.071 1.00 64.01 H new ATOM 0 HG21 VAL A 85 -6.123 10.031 -0.422 1.00 43.22 H new ATOM 0 HG22 VAL A 85 -6.747 9.097 -1.802 1.00 43.22 H new ATOM 0 HG23 VAL A 85 -5.138 8.731 -1.135 1.00 43.22 H new ATOM 1422 N ALA A 86 -4.575 10.852 -5.905 1.00 4.30 N ATOM 1423 CA ALA A 86 -4.067 11.736 -6.963 1.00 64.24 C ATOM 1424 C ALA A 86 -4.799 13.086 -6.913 1.00 51.30 C ATOM 1425 O ALA A 86 -6.013 13.119 -6.711 1.00 53.41 O ATOM 1426 CB ALA A 86 -4.247 11.054 -8.323 1.00 53.23 C ATOM 0 H ALA A 86 -5.319 10.230 -6.222 1.00 4.30 H new ATOM 0 HA ALA A 86 -3.005 11.926 -6.810 1.00 64.24 H new ATOM 0 HB1 ALA A 86 -3.871 11.707 -9.110 1.00 53.23 H new ATOM 0 HB2 ALA A 86 -3.693 10.115 -8.335 1.00 53.23 H new ATOM 0 HB3 ALA A 86 -5.305 10.854 -8.492 1.00 53.23 H new ATOM 1432 N GLN A 87 -4.060 14.200 -7.070 1.00 20.43 N ATOM 1433 CA GLN A 87 -4.625 15.569 -6.978 1.00 1.44 C ATOM 1434 C GLN A 87 -3.921 16.501 -7.994 1.00 1.01 C ATOM 1435 O GLN A 87 -3.063 17.301 -7.609 1.00 22.54 O ATOM 1436 CB GLN A 87 -4.471 16.130 -5.525 1.00 55.31 C ATOM 1437 CG GLN A 87 -5.207 15.350 -4.412 1.00 33.54 C ATOM 1438 CD GLN A 87 -4.966 15.908 -3.010 1.00 21.32 C ATOM 1439 OE1 GLN A 87 -3.904 16.467 -2.718 1.00 55.24 O ATOM 1440 NE2 GLN A 87 -5.931 15.745 -2.125 1.00 2.00 N ATOM 0 H GLN A 87 -3.059 14.182 -7.263 1.00 20.43 H new ATOM 0 HA GLN A 87 -5.688 15.526 -7.217 1.00 1.44 H new ATOM 0 HB2 GLN A 87 -3.409 16.158 -5.279 1.00 55.31 H new ATOM 0 HB3 GLN A 87 -4.828 17.160 -5.515 1.00 55.31 H new ATOM 0 HG2 GLN A 87 -6.277 15.361 -4.619 1.00 33.54 H new ATOM 0 HG3 GLN A 87 -4.888 14.308 -4.439 1.00 33.54 H new ATOM 0 HE21 GLN A 87 -6.797 15.279 -2.395 1.00 2.00 H new ATOM 0 HE22 GLN A 87 -5.811 16.085 -1.171 1.00 2.00 H new ATOM 1449 N ASP A 88 -4.281 16.355 -9.286 1.00 23.13 N ATOM 1450 CA ASP A 88 -3.691 17.092 -10.441 1.00 51.33 C ATOM 1451 C ASP A 88 -2.212 16.739 -10.653 1.00 31.35 C ATOM 1452 O ASP A 88 -1.907 16.048 -11.630 1.00 61.02 O ATOM 1453 CB ASP A 88 -3.901 18.630 -10.352 1.00 13.21 C ATOM 1454 CG ASP A 88 -5.373 19.026 -10.509 1.00 41.13 C ATOM 1455 OD1 ASP A 88 -5.846 19.135 -11.666 1.00 63.04 O ATOM 1456 OD2 ASP A 88 -6.072 19.200 -9.487 1.00 73.20 O ATOM 0 H ASP A 88 -5.012 15.703 -9.571 1.00 23.13 H new ATOM 0 HA ASP A 88 -4.240 16.756 -11.321 1.00 51.33 H new ATOM 0 HB2 ASP A 88 -3.531 18.990 -9.392 1.00 13.21 H new ATOM 0 HB3 ASP A 88 -3.311 19.120 -11.126 1.00 13.21 H new ATOM 1461 N GLN A 89 -1.335 17.258 -9.738 1.00 62.32 N ATOM 1462 CA GLN A 89 0.127 16.950 -9.605 1.00 33.02 C ATOM 1463 C GLN A 89 0.696 16.018 -10.692 1.00 74.14 C ATOM 1464 O GLN A 89 0.630 14.788 -10.568 1.00 31.43 O ATOM 1465 CB GLN A 89 0.404 16.363 -8.194 1.00 75.51 C ATOM 1466 CG GLN A 89 0.151 17.341 -7.030 1.00 55.23 C ATOM 1467 CD GLN A 89 0.126 16.657 -5.660 1.00 53.40 C ATOM 1468 OE1 GLN A 89 -1.050 16.211 -5.248 1.00 54.13 O flip ATOM 1469 NE2 GLN A 89 1.151 16.517 -4.990 1.00 0.41 N flip ATOM 0 H GLN A 89 -1.643 17.935 -9.040 1.00 62.32 H new ATOM 0 HA GLN A 89 0.647 17.898 -9.744 1.00 33.02 H new ATOM 0 HB2 GLN A 89 -0.221 15.481 -8.053 1.00 75.51 H new ATOM 0 HB3 GLN A 89 1.441 16.029 -8.151 1.00 75.51 H new ATOM 0 HG2 GLN A 89 0.927 18.106 -7.032 1.00 55.23 H new ATOM 0 HG3 GLN A 89 -0.799 17.850 -7.192 1.00 55.23 H new ATOM 0 HE21 GLN A 89 2.041 16.873 -5.339 1.00 0.41 H new ATOM 0 HE22 GLN A 89 1.109 16.045 -4.087 1.00 0.41 H new ATOM 1478 N GLU A 90 1.179 16.626 -11.785 1.00 1.00 N ATOM 1479 CA GLU A 90 1.829 15.905 -12.892 1.00 61.34 C ATOM 1480 C GLU A 90 3.082 15.152 -12.405 1.00 31.13 C ATOM 1481 O GLU A 90 3.398 14.082 -12.917 1.00 71.41 O ATOM 1482 CB GLU A 90 2.160 16.885 -14.038 1.00 13.25 C ATOM 1483 CG GLU A 90 0.915 17.426 -14.774 1.00 22.44 C ATOM 1484 CD GLU A 90 1.259 18.364 -15.942 1.00 32.41 C ATOM 1485 OE1 GLU A 90 1.748 17.878 -16.985 1.00 73.13 O ATOM 1486 OE2 GLU A 90 1.065 19.594 -15.816 1.00 50.41 O ATOM 0 H GLU A 90 1.130 17.635 -11.928 1.00 1.00 H new ATOM 0 HA GLU A 90 1.138 15.155 -13.276 1.00 61.34 H new ATOM 0 HB2 GLU A 90 2.725 17.725 -13.634 1.00 13.25 H new ATOM 0 HB3 GLU A 90 2.806 16.383 -14.758 1.00 13.25 H new ATOM 0 HG2 GLU A 90 0.331 16.586 -15.151 1.00 22.44 H new ATOM 0 HG3 GLU A 90 0.284 17.959 -14.063 1.00 22.44 H new ATOM 1493 N LEU A 91 3.750 15.723 -11.390 1.00 44.33 N ATOM 1494 CA LEU A 91 4.908 15.110 -10.703 1.00 74.41 C ATOM 1495 C LEU A 91 4.524 13.725 -10.121 1.00 14.21 C ATOM 1496 O LEU A 91 5.230 12.729 -10.321 1.00 5.25 O ATOM 1497 CB LEU A 91 5.429 16.047 -9.565 1.00 74.04 C ATOM 1498 CG LEU A 91 6.162 17.374 -9.990 1.00 21.43 C ATOM 1499 CD1 LEU A 91 5.244 18.369 -10.740 1.00 35.24 C ATOM 1500 CD2 LEU A 91 6.828 18.046 -8.762 1.00 30.52 C ATOM 0 H LEU A 91 3.500 16.638 -11.015 1.00 44.33 H new ATOM 0 HA LEU A 91 5.705 14.972 -11.433 1.00 74.41 H new ATOM 0 HB2 LEU A 91 4.579 16.319 -8.939 1.00 74.04 H new ATOM 0 HB3 LEU A 91 6.113 15.470 -8.942 1.00 74.04 H new ATOM 0 HG LEU A 91 6.937 17.086 -10.701 1.00 21.43 H new ATOM 0 HD11 LEU A 91 5.813 19.261 -11.003 1.00 35.24 H new ATOM 0 HD12 LEU A 91 4.864 17.900 -11.647 1.00 35.24 H new ATOM 0 HD13 LEU A 91 4.408 18.648 -10.098 1.00 35.24 H new ATOM 0 HD21 LEU A 91 7.330 18.962 -9.076 1.00 30.52 H new ATOM 0 HD22 LEU A 91 6.066 18.286 -8.020 1.00 30.52 H new ATOM 0 HD23 LEU A 91 7.558 17.364 -8.325 1.00 30.52 H new ATOM 1512 N LEU A 92 3.378 13.702 -9.416 1.00 72.42 N ATOM 1513 CA LEU A 92 2.758 12.475 -8.864 1.00 2.02 C ATOM 1514 C LEU A 92 2.423 11.483 -10.006 1.00 30.21 C ATOM 1515 O LEU A 92 2.670 10.273 -9.891 1.00 64.14 O ATOM 1516 CB LEU A 92 1.495 12.912 -8.035 1.00 63.34 C ATOM 1517 CG LEU A 92 0.526 11.821 -7.437 1.00 3.51 C ATOM 1518 CD1 LEU A 92 -0.297 12.400 -6.251 1.00 0.12 C ATOM 1519 CD2 LEU A 92 -0.442 11.242 -8.511 1.00 15.12 C ATOM 0 H LEU A 92 2.845 14.547 -9.209 1.00 72.42 H new ATOM 0 HA LEU A 92 3.442 11.945 -8.201 1.00 2.02 H new ATOM 0 HB2 LEU A 92 1.849 13.522 -7.204 1.00 63.34 H new ATOM 0 HB3 LEU A 92 0.897 13.561 -8.674 1.00 63.34 H new ATOM 0 HG LEU A 92 1.156 11.008 -7.077 1.00 3.51 H new ATOM 0 HD11 LEU A 92 -0.958 11.628 -5.856 1.00 0.12 H new ATOM 0 HD12 LEU A 92 0.382 12.734 -5.466 1.00 0.12 H new ATOM 0 HD13 LEU A 92 -0.892 13.244 -6.599 1.00 0.12 H new ATOM 0 HD21 LEU A 92 -1.090 10.495 -8.052 1.00 15.12 H new ATOM 0 HD22 LEU A 92 -1.051 12.046 -8.923 1.00 15.12 H new ATOM 0 HD23 LEU A 92 0.136 10.779 -9.310 1.00 15.12 H new ATOM 1531 N GLU A 93 1.871 12.036 -11.102 1.00 53.53 N ATOM 1532 CA GLU A 93 1.406 11.276 -12.282 1.00 33.13 C ATOM 1533 C GLU A 93 2.567 10.568 -13.017 1.00 3.41 C ATOM 1534 O GLU A 93 2.358 9.525 -13.662 1.00 71.21 O ATOM 1535 CB GLU A 93 0.639 12.244 -13.228 1.00 55.35 C ATOM 1536 CG GLU A 93 0.176 11.644 -14.570 1.00 30.23 C ATOM 1537 CD GLU A 93 -0.641 12.625 -15.425 1.00 73.45 C ATOM 1538 OE1 GLU A 93 -0.048 13.569 -15.993 1.00 13.43 O ATOM 1539 OE2 GLU A 93 -1.872 12.456 -15.535 1.00 4.22 O ATOM 0 H GLU A 93 1.732 13.042 -11.196 1.00 53.53 H new ATOM 0 HA GLU A 93 0.737 10.483 -11.948 1.00 33.13 H new ATOM 0 HB2 GLU A 93 -0.236 12.621 -12.699 1.00 55.35 H new ATOM 0 HB3 GLU A 93 1.279 13.101 -13.436 1.00 55.35 H new ATOM 0 HG2 GLU A 93 1.050 11.320 -15.136 1.00 30.23 H new ATOM 0 HG3 GLU A 93 -0.425 10.756 -14.375 1.00 30.23 H new ATOM 1546 N ARG A 94 3.793 11.119 -12.895 1.00 24.41 N ATOM 1547 CA ARG A 94 4.987 10.508 -13.510 1.00 33.21 C ATOM 1548 C ARG A 94 5.308 9.181 -12.817 1.00 62.30 C ATOM 1549 O ARG A 94 5.366 8.136 -13.465 1.00 3.43 O ATOM 1550 CB ARG A 94 6.218 11.449 -13.429 1.00 73.13 C ATOM 1551 CG ARG A 94 6.018 12.839 -14.061 1.00 0.23 C ATOM 1552 CD ARG A 94 5.442 12.787 -15.489 1.00 53.41 C ATOM 1553 NE ARG A 94 5.185 14.135 -16.028 1.00 13.14 N ATOM 1554 CZ ARG A 94 3.972 14.660 -16.268 1.00 14.01 C ATOM 1555 NH1 ARG A 94 2.862 13.968 -16.020 1.00 31.22 N ATOM 1556 NH2 ARG A 94 3.882 15.881 -16.773 1.00 33.04 N ATOM 0 H ARG A 94 3.980 11.979 -12.380 1.00 24.41 H new ATOM 0 HA ARG A 94 4.766 10.332 -14.563 1.00 33.21 H new ATOM 0 HB2 ARG A 94 6.489 11.579 -12.381 1.00 73.13 H new ATOM 0 HB3 ARG A 94 7.061 10.962 -13.918 1.00 73.13 H new ATOM 0 HG2 ARG A 94 5.350 13.424 -13.429 1.00 0.23 H new ATOM 0 HG3 ARG A 94 6.975 13.361 -14.082 1.00 0.23 H new ATOM 0 HD2 ARG A 94 6.138 12.262 -16.142 1.00 53.41 H new ATOM 0 HD3 ARG A 94 4.514 12.215 -15.486 1.00 53.41 H new ATOM 0 HE ARG A 94 5.996 14.718 -16.236 1.00 13.14 H new ATOM 0 HH11 ARG A 94 2.924 13.023 -15.641 1.00 31.22 H new ATOM 0 HH12 ARG A 94 1.949 14.383 -16.209 1.00 31.22 H new ATOM 0 HH21 ARG A 94 4.729 16.413 -16.976 1.00 33.04 H new ATOM 0 HH22 ARG A 94 2.966 16.290 -16.959 1.00 33.04 H new ATOM 1570 N PHE A 95 5.424 9.239 -11.472 1.00 74.01 N ATOM 1571 CA PHE A 95 5.752 8.065 -10.641 1.00 25.21 C ATOM 1572 C PHE A 95 4.651 6.990 -10.756 1.00 63.54 C ATOM 1573 O PHE A 95 4.935 5.780 -10.767 1.00 14.44 O ATOM 1574 CB PHE A 95 5.950 8.483 -9.160 1.00 5.41 C ATOM 1575 CG PHE A 95 6.406 7.320 -8.283 1.00 52.41 C ATOM 1576 CD1 PHE A 95 7.740 6.930 -8.277 1.00 41.25 C ATOM 1577 CD2 PHE A 95 5.498 6.566 -7.534 1.00 43.50 C ATOM 1578 CE1 PHE A 95 8.157 5.848 -7.541 1.00 22.24 C ATOM 1579 CE2 PHE A 95 5.918 5.474 -6.809 1.00 43.03 C ATOM 1580 CZ PHE A 95 7.245 5.111 -6.815 1.00 23.54 C ATOM 0 H PHE A 95 5.293 10.097 -10.937 1.00 74.01 H new ATOM 0 HA PHE A 95 6.686 7.639 -11.007 1.00 25.21 H new ATOM 0 HB2 PHE A 95 6.686 9.285 -9.107 1.00 5.41 H new ATOM 0 HB3 PHE A 95 5.014 8.883 -8.770 1.00 5.41 H new ATOM 0 HD1 PHE A 95 8.459 7.486 -8.860 1.00 41.25 H new ATOM 0 HD2 PHE A 95 4.454 6.844 -7.524 1.00 43.50 H new ATOM 0 HE1 PHE A 95 9.202 5.574 -7.531 1.00 22.24 H new ATOM 0 HE2 PHE A 95 5.205 4.901 -6.235 1.00 43.03 H new ATOM 0 HZ PHE A 95 7.572 4.250 -6.252 1.00 23.54 H new ATOM 1590 N TYR A 96 3.404 7.477 -10.863 1.00 60.44 N ATOM 1591 CA TYR A 96 2.205 6.655 -11.078 1.00 4.05 C ATOM 1592 C TYR A 96 2.378 5.707 -12.289 1.00 11.20 C ATOM 1593 O TYR A 96 1.990 4.539 -12.221 1.00 34.53 O ATOM 1594 CB TYR A 96 0.985 7.612 -11.264 1.00 54.03 C ATOM 1595 CG TYR A 96 -0.233 7.044 -12.015 1.00 4.51 C ATOM 1596 CD1 TYR A 96 -1.079 6.105 -11.428 1.00 2.30 C ATOM 1597 CD2 TYR A 96 -0.531 7.458 -13.322 1.00 42.03 C ATOM 1598 CE1 TYR A 96 -2.175 5.601 -12.108 1.00 1.02 C ATOM 1599 CE2 TYR A 96 -1.625 6.959 -14.000 1.00 63.43 C ATOM 1600 CZ TYR A 96 -2.443 6.030 -13.392 1.00 65.43 C ATOM 1601 OH TYR A 96 -3.526 5.517 -14.079 1.00 53.44 O ATOM 0 H TYR A 96 3.198 8.474 -10.801 1.00 60.44 H new ATOM 0 HA TYR A 96 2.037 6.014 -10.213 1.00 4.05 H new ATOM 0 HB2 TYR A 96 0.655 7.937 -10.278 1.00 54.03 H new ATOM 0 HB3 TYR A 96 1.328 8.500 -11.795 1.00 54.03 H new ATOM 0 HD1 TYR A 96 -0.876 5.764 -10.424 1.00 2.30 H new ATOM 0 HD2 TYR A 96 0.108 8.181 -13.807 1.00 42.03 H new ATOM 0 HE1 TYR A 96 -2.818 4.874 -11.635 1.00 1.02 H new ATOM 0 HE2 TYR A 96 -1.840 7.295 -15.004 1.00 63.43 H new ATOM 0 HH TYR A 96 -3.710 6.075 -14.863 1.00 53.44 H new ATOM 1611 N GLU A 97 3.010 6.224 -13.356 1.00 61.12 N ATOM 1612 CA GLU A 97 3.166 5.511 -14.634 1.00 42.11 C ATOM 1613 C GLU A 97 4.224 4.397 -14.528 1.00 74.01 C ATOM 1614 O GLU A 97 4.064 3.316 -15.114 1.00 63.45 O ATOM 1615 CB GLU A 97 3.546 6.520 -15.748 1.00 20.23 C ATOM 1616 CG GLU A 97 3.573 5.925 -17.169 1.00 51.34 C ATOM 1617 CD GLU A 97 3.919 6.954 -18.260 1.00 42.50 C ATOM 1618 OE1 GLU A 97 3.056 7.794 -18.592 1.00 50.32 O ATOM 1619 OE2 GLU A 97 5.058 6.932 -18.785 1.00 22.40 O ATOM 0 H GLU A 97 3.429 7.154 -13.356 1.00 61.12 H new ATOM 0 HA GLU A 97 2.217 5.038 -14.885 1.00 42.11 H new ATOM 0 HB2 GLU A 97 2.837 7.348 -15.728 1.00 20.23 H new ATOM 0 HB3 GLU A 97 4.528 6.936 -15.524 1.00 20.23 H new ATOM 0 HG2 GLU A 97 4.301 5.115 -17.201 1.00 51.34 H new ATOM 0 HG3 GLU A 97 2.599 5.487 -17.389 1.00 51.34 H new ATOM 1626 N GLN A 98 5.295 4.668 -13.757 1.00 42.41 N ATOM 1627 CA GLN A 98 6.405 3.712 -13.556 1.00 22.24 C ATOM 1628 C GLN A 98 5.921 2.426 -12.863 1.00 34.24 C ATOM 1629 O GLN A 98 6.362 1.326 -13.221 1.00 11.12 O ATOM 1630 CB GLN A 98 7.579 4.364 -12.766 1.00 60.32 C ATOM 1631 CG GLN A 98 8.539 5.220 -13.632 1.00 61.34 C ATOM 1632 CD GLN A 98 7.916 6.520 -14.139 1.00 4.25 C ATOM 1633 OE1 GLN A 98 8.047 7.566 -13.508 1.00 54.33 O ATOM 1634 NE2 GLN A 98 7.201 6.455 -15.252 1.00 35.02 N ATOM 0 H GLN A 98 5.416 5.549 -13.258 1.00 42.41 H new ATOM 0 HA GLN A 98 6.779 3.437 -14.542 1.00 22.24 H new ATOM 0 HB2 GLN A 98 7.165 4.991 -11.977 1.00 60.32 H new ATOM 0 HB3 GLN A 98 8.154 3.577 -12.279 1.00 60.32 H new ATOM 0 HG2 GLN A 98 9.427 5.457 -13.047 1.00 61.34 H new ATOM 0 HG3 GLN A 98 8.869 4.628 -14.486 1.00 61.34 H new ATOM 0 HE21 GLN A 98 7.113 5.570 -15.751 1.00 35.02 H new ATOM 0 HE22 GLN A 98 6.738 7.290 -15.610 1.00 35.02 H new ATOM 1643 N LEU A 99 4.986 2.587 -11.909 1.00 74.24 N ATOM 1644 CA LEU A 99 4.344 1.461 -11.198 1.00 20.52 C ATOM 1645 C LEU A 99 3.645 0.514 -12.195 1.00 75.14 C ATOM 1646 O LEU A 99 3.753 -0.706 -12.091 1.00 71.10 O ATOM 1647 CB LEU A 99 3.325 2.016 -10.160 1.00 55.13 C ATOM 1648 CG LEU A 99 3.934 2.916 -9.039 1.00 40.00 C ATOM 1649 CD1 LEU A 99 2.842 3.508 -8.117 1.00 14.25 C ATOM 1650 CD2 LEU A 99 4.995 2.137 -8.233 1.00 74.44 C ATOM 0 H LEU A 99 4.652 3.502 -11.607 1.00 74.24 H new ATOM 0 HA LEU A 99 5.109 0.888 -10.675 1.00 20.52 H new ATOM 0 HB2 LEU A 99 2.567 2.591 -10.692 1.00 55.13 H new ATOM 0 HB3 LEU A 99 2.816 1.174 -9.690 1.00 55.13 H new ATOM 0 HG LEU A 99 4.427 3.759 -9.522 1.00 40.00 H new ATOM 0 HD11 LEU A 99 3.309 4.127 -7.351 1.00 14.25 H new ATOM 0 HD12 LEU A 99 2.157 4.116 -8.708 1.00 14.25 H new ATOM 0 HD13 LEU A 99 2.289 2.698 -7.641 1.00 14.25 H new ATOM 0 HD21 LEU A 99 5.408 2.781 -7.457 1.00 74.44 H new ATOM 0 HD22 LEU A 99 4.533 1.264 -7.772 1.00 74.44 H new ATOM 0 HD23 LEU A 99 5.795 1.815 -8.900 1.00 74.44 H new ATOM 1662 N LYS A 100 2.991 1.112 -13.195 1.00 4.10 N ATOM 1663 CA LYS A 100 2.200 0.380 -14.208 1.00 13.31 C ATOM 1664 C LYS A 100 3.118 -0.399 -15.164 1.00 35.04 C ATOM 1665 O LYS A 100 2.762 -1.489 -15.626 1.00 32.41 O ATOM 1666 CB LYS A 100 1.310 1.383 -14.989 1.00 72.14 C ATOM 1667 CG LYS A 100 0.585 2.383 -14.070 1.00 71.30 C ATOM 1668 CD LYS A 100 -0.271 3.423 -14.827 1.00 55.21 C ATOM 1669 CE LYS A 100 -1.584 2.842 -15.368 1.00 71.34 C ATOM 1670 NZ LYS A 100 -2.364 3.863 -16.125 1.00 61.44 N ATOM 0 H LYS A 100 2.991 2.123 -13.332 1.00 4.10 H new ATOM 0 HA LYS A 100 1.561 -0.346 -13.704 1.00 13.31 H new ATOM 0 HB2 LYS A 100 1.928 1.932 -15.699 1.00 72.14 H new ATOM 0 HB3 LYS A 100 0.572 0.830 -15.570 1.00 72.14 H new ATOM 0 HG2 LYS A 100 -0.056 1.831 -13.383 1.00 71.30 H new ATOM 0 HG3 LYS A 100 1.325 2.907 -13.465 1.00 71.30 H new ATOM 0 HD2 LYS A 100 -0.496 4.255 -14.159 1.00 55.21 H new ATOM 0 HD3 LYS A 100 0.309 3.828 -15.656 1.00 55.21 H new ATOM 0 HE2 LYS A 100 -1.367 1.994 -16.017 1.00 71.34 H new ATOM 0 HE3 LYS A 100 -2.184 2.465 -14.540 1.00 71.34 H new ATOM 0 HZ1 LYS A 100 -3.092 3.390 -16.697 1.00 61.44 H new ATOM 0 HZ2 LYS A 100 -2.820 4.517 -15.457 1.00 61.44 H new ATOM 0 HZ3 LYS A 100 -1.725 4.395 -16.749 1.00 61.44 H new ATOM 1684 N LYS A 101 4.306 0.173 -15.443 1.00 24.03 N ATOM 1685 CA LYS A 101 5.333 -0.469 -16.288 1.00 55.01 C ATOM 1686 C LYS A 101 5.971 -1.674 -15.565 1.00 20.12 C ATOM 1687 O LYS A 101 6.343 -2.665 -16.204 1.00 33.31 O ATOM 1688 CB LYS A 101 6.418 0.560 -16.694 1.00 24.12 C ATOM 1689 CG LYS A 101 5.895 1.765 -17.508 1.00 62.40 C ATOM 1690 CD LYS A 101 7.038 2.700 -17.963 1.00 63.53 C ATOM 1691 CE LYS A 101 6.531 3.907 -18.770 1.00 14.30 C ATOM 1692 NZ LYS A 101 5.812 3.510 -20.011 1.00 63.43 N ATOM 0 H LYS A 101 4.580 1.090 -15.090 1.00 24.03 H new ATOM 0 HA LYS A 101 4.848 -0.838 -17.192 1.00 55.01 H new ATOM 0 HB2 LYS A 101 6.902 0.932 -15.791 1.00 24.12 H new ATOM 0 HB3 LYS A 101 7.183 0.049 -17.279 1.00 24.12 H new ATOM 0 HG2 LYS A 101 5.353 1.404 -18.382 1.00 62.40 H new ATOM 0 HG3 LYS A 101 5.185 2.329 -16.904 1.00 62.40 H new ATOM 0 HD2 LYS A 101 7.581 3.056 -17.088 1.00 63.53 H new ATOM 0 HD3 LYS A 101 7.745 2.134 -18.569 1.00 63.53 H new ATOM 0 HE2 LYS A 101 5.866 4.503 -18.145 1.00 14.30 H new ATOM 0 HE3 LYS A 101 7.376 4.543 -19.033 1.00 14.30 H new ATOM 0 HZ1 LYS A 101 5.582 4.359 -20.566 1.00 63.43 H new ATOM 0 HZ2 LYS A 101 6.417 2.880 -20.576 1.00 63.43 H new ATOM 0 HZ3 LYS A 101 4.934 3.013 -19.759 1.00 63.43 H new ATOM 1706 N ASP A 102 6.091 -1.568 -14.222 1.00 1.40 N ATOM 1707 CA ASP A 102 6.545 -2.683 -13.354 1.00 61.02 C ATOM 1708 C ASP A 102 5.497 -3.808 -13.291 1.00 73.04 C ATOM 1709 O ASP A 102 5.814 -4.939 -12.901 1.00 10.14 O ATOM 1710 CB ASP A 102 6.852 -2.178 -11.912 1.00 31.13 C ATOM 1711 CG ASP A 102 8.085 -1.262 -11.827 1.00 74.33 C ATOM 1712 OD1 ASP A 102 9.168 -1.680 -12.284 1.00 4.32 O ATOM 1713 OD2 ASP A 102 7.984 -0.129 -11.310 1.00 41.14 O ATOM 0 H ASP A 102 5.877 -0.712 -13.710 1.00 1.40 H new ATOM 0 HA ASP A 102 7.459 -3.081 -13.795 1.00 61.02 H new ATOM 0 HB2 ASP A 102 5.984 -1.640 -11.533 1.00 31.13 H new ATOM 0 HB3 ASP A 102 7.004 -3.038 -11.260 1.00 31.13 H new ATOM 1718 N GLY A 103 4.251 -3.480 -13.675 1.00 3.12 N ATOM 1719 CA GLY A 103 3.128 -4.411 -13.587 1.00 74.45 C ATOM 1720 C GLY A 103 2.497 -4.400 -12.203 1.00 3.51 C ATOM 1721 O GLY A 103 1.861 -5.371 -11.799 1.00 51.12 O ATOM 0 H GLY A 103 4.002 -2.566 -14.052 1.00 3.12 H new ATOM 0 HA2 GLY A 103 2.377 -4.147 -14.332 1.00 74.45 H new ATOM 0 HA3 GLY A 103 3.471 -5.418 -13.823 1.00 74.45 H new ATOM 1725 N VAL A 104 2.728 -3.303 -11.461 1.00 23.15 N ATOM 1726 CA VAL A 104 2.072 -3.031 -10.174 1.00 11.11 C ATOM 1727 C VAL A 104 0.711 -2.383 -10.432 1.00 64.32 C ATOM 1728 O VAL A 104 0.612 -1.427 -11.222 1.00 4.44 O ATOM 1729 CB VAL A 104 2.945 -2.092 -9.261 1.00 14.04 C ATOM 1730 CG1 VAL A 104 2.227 -1.738 -7.933 1.00 20.21 C ATOM 1731 CG2 VAL A 104 4.319 -2.734 -8.994 1.00 43.04 C ATOM 0 H VAL A 104 3.383 -2.574 -11.743 1.00 23.15 H new ATOM 0 HA VAL A 104 1.946 -3.977 -9.648 1.00 11.11 H new ATOM 0 HB VAL A 104 3.095 -1.155 -9.798 1.00 14.04 H new ATOM 0 HG11 VAL A 104 2.867 -1.089 -7.335 1.00 20.21 H new ATOM 0 HG12 VAL A 104 1.291 -1.224 -8.151 1.00 20.21 H new ATOM 0 HG13 VAL A 104 2.018 -2.652 -7.377 1.00 20.21 H new ATOM 0 HG21 VAL A 104 4.912 -2.074 -8.361 1.00 43.04 H new ATOM 0 HG22 VAL A 104 4.182 -3.691 -8.491 1.00 43.04 H new ATOM 0 HG23 VAL A 104 4.837 -2.892 -9.940 1.00 43.04 H new ATOM 1741 N ASP A 105 -0.326 -2.901 -9.766 1.00 44.05 N ATOM 1742 CA ASP A 105 -1.685 -2.401 -9.925 1.00 44.52 C ATOM 1743 C ASP A 105 -1.890 -1.165 -9.035 1.00 51.22 C ATOM 1744 O ASP A 105 -2.228 -1.283 -7.858 1.00 5.11 O ATOM 1745 CB ASP A 105 -2.711 -3.520 -9.583 1.00 43.41 C ATOM 1746 CG ASP A 105 -4.140 -3.255 -10.103 1.00 3.22 C ATOM 1747 OD1 ASP A 105 -4.322 -2.415 -11.013 1.00 23.40 O ATOM 1748 OD2 ASP A 105 -5.095 -3.911 -9.623 1.00 51.53 O ATOM 0 H ASP A 105 -0.242 -3.674 -9.106 1.00 44.05 H new ATOM 0 HA ASP A 105 -1.845 -2.106 -10.962 1.00 44.52 H new ATOM 0 HB2 ASP A 105 -2.355 -4.462 -9.999 1.00 43.41 H new ATOM 0 HB3 ASP A 105 -2.748 -3.644 -8.501 1.00 43.41 H new ATOM 1753 N VAL A 106 -1.633 0.025 -9.586 1.00 43.22 N ATOM 1754 CA VAL A 106 -1.833 1.276 -8.847 1.00 43.21 C ATOM 1755 C VAL A 106 -3.261 1.786 -9.103 1.00 22.34 C ATOM 1756 O VAL A 106 -3.645 2.102 -10.237 1.00 11.32 O ATOM 1757 CB VAL A 106 -0.746 2.362 -9.206 1.00 73.01 C ATOM 1758 CG1 VAL A 106 -0.605 2.566 -10.726 1.00 4.11 C ATOM 1759 CG2 VAL A 106 -1.005 3.706 -8.465 1.00 60.12 C ATOM 0 H VAL A 106 -1.287 0.149 -10.538 1.00 43.22 H new ATOM 0 HA VAL A 106 -1.710 1.078 -7.782 1.00 43.21 H new ATOM 0 HB VAL A 106 0.210 1.977 -8.851 1.00 73.01 H new ATOM 0 HG11 VAL A 106 0.155 3.323 -10.923 1.00 4.11 H new ATOM 0 HG12 VAL A 106 -0.311 1.626 -11.193 1.00 4.11 H new ATOM 0 HG13 VAL A 106 -1.559 2.894 -11.139 1.00 4.11 H new ATOM 0 HG21 VAL A 106 -0.235 4.427 -8.739 1.00 60.12 H new ATOM 0 HG22 VAL A 106 -1.983 4.095 -8.748 1.00 60.12 H new ATOM 0 HG23 VAL A 106 -0.979 3.539 -7.388 1.00 60.12 H new ATOM 1769 N ARG A 107 -4.057 1.822 -8.027 1.00 3.42 N ATOM 1770 CA ARG A 107 -5.423 2.331 -8.052 1.00 32.31 C ATOM 1771 C ARG A 107 -5.409 3.775 -7.543 1.00 73.40 C ATOM 1772 O ARG A 107 -5.203 3.999 -6.341 1.00 34.02 O ATOM 1773 CB ARG A 107 -6.366 1.458 -7.158 1.00 71.03 C ATOM 1774 CG ARG A 107 -6.197 -0.072 -7.279 1.00 60.15 C ATOM 1775 CD ARG A 107 -6.276 -0.605 -8.719 1.00 41.44 C ATOM 1776 NE ARG A 107 -7.579 -0.366 -9.367 1.00 32.51 N ATOM 1777 CZ ARG A 107 -7.943 -0.889 -10.555 1.00 41.44 C ATOM 1778 NH1 ARG A 107 -7.120 -1.687 -11.234 1.00 53.43 N ATOM 1779 NH2 ARG A 107 -9.133 -0.611 -11.060 1.00 3.44 N ATOM 0 H ARG A 107 -3.762 1.494 -7.107 1.00 3.42 H new ATOM 0 HA ARG A 107 -5.804 2.291 -9.072 1.00 32.31 H new ATOM 0 HB2 ARG A 107 -6.207 1.739 -6.117 1.00 71.03 H new ATOM 0 HB3 ARG A 107 -7.398 1.709 -7.402 1.00 71.03 H new ATOM 0 HG2 ARG A 107 -5.235 -0.354 -6.852 1.00 60.15 H new ATOM 0 HG3 ARG A 107 -6.967 -0.559 -6.681 1.00 60.15 H new ATOM 0 HD2 ARG A 107 -5.492 -0.136 -9.314 1.00 41.44 H new ATOM 0 HD3 ARG A 107 -6.074 -1.676 -8.713 1.00 41.44 H new ATOM 0 HE ARG A 107 -8.248 0.234 -8.885 1.00 32.51 H new ATOM 0 HH11 ARG A 107 -6.199 -1.910 -10.856 1.00 53.43 H new ATOM 0 HH12 ARG A 107 -7.411 -2.075 -12.132 1.00 53.43 H new ATOM 0 HH21 ARG A 107 -9.773 -0.002 -10.551 1.00 3.44 H new ATOM 0 HH22 ARG A 107 -9.410 -1.006 -11.959 1.00 3.44 H new ATOM 1793 N VAL A 108 -5.633 4.757 -8.431 1.00 23.21 N ATOM 1794 CA VAL A 108 -5.785 6.156 -8.004 1.00 52.15 C ATOM 1795 C VAL A 108 -7.237 6.361 -7.556 1.00 51.05 C ATOM 1796 O VAL A 108 -8.180 5.961 -8.252 1.00 52.21 O ATOM 1797 CB VAL A 108 -5.379 7.207 -9.108 1.00 75.24 C ATOM 1798 CG1 VAL A 108 -3.852 7.178 -9.367 1.00 34.04 C ATOM 1799 CG2 VAL A 108 -6.180 7.009 -10.418 1.00 31.43 C ATOM 0 H VAL A 108 -5.712 4.610 -9.437 1.00 23.21 H new ATOM 0 HA VAL A 108 -5.093 6.335 -7.181 1.00 52.15 H new ATOM 0 HB VAL A 108 -5.636 8.195 -8.727 1.00 75.24 H new ATOM 0 HG11 VAL A 108 -3.599 7.912 -10.132 1.00 34.04 H new ATOM 0 HG12 VAL A 108 -3.322 7.417 -8.445 1.00 34.04 H new ATOM 0 HG13 VAL A 108 -3.559 6.184 -9.706 1.00 34.04 H new ATOM 0 HG21 VAL A 108 -5.869 7.754 -11.151 1.00 31.43 H new ATOM 0 HG22 VAL A 108 -5.991 6.011 -10.813 1.00 31.43 H new ATOM 0 HG23 VAL A 108 -7.245 7.123 -10.214 1.00 31.43 H new ATOM 1809 N THR A 109 -7.397 6.870 -6.335 1.00 21.42 N ATOM 1810 CA THR A 109 -8.705 7.180 -5.757 1.00 2.24 C ATOM 1811 C THR A 109 -9.169 8.538 -6.281 1.00 74.22 C ATOM 1812 O THR A 109 -10.337 8.715 -6.630 1.00 1.13 O ATOM 1813 CB THR A 109 -8.612 7.202 -4.200 1.00 32.55 C ATOM 1814 OG1 THR A 109 -7.756 8.272 -3.777 1.00 62.54 O ATOM 1815 CG2 THR A 109 -8.058 5.886 -3.643 1.00 11.35 C ATOM 0 H THR A 109 -6.616 7.081 -5.714 1.00 21.42 H new ATOM 0 HA THR A 109 -9.425 6.414 -6.045 1.00 2.24 H new ATOM 0 HB THR A 109 -9.623 7.344 -3.818 1.00 32.55 H new ATOM 0 HG1 THR A 109 -8.300 9.000 -3.410 1.00 62.54 H new ATOM 0 HG21 THR A 109 -8.009 5.943 -2.556 1.00 11.35 H new ATOM 0 HG22 THR A 109 -8.712 5.064 -3.934 1.00 11.35 H new ATOM 0 HG23 THR A 109 -7.058 5.714 -4.042 1.00 11.35 H new ATOM 1823 N ASP A 110 -8.183 9.467 -6.353 1.00 31.41 N ATOM 1824 CA ASP A 110 -8.357 10.892 -6.689 1.00 74.22 C ATOM 1825 C ASP A 110 -9.201 11.585 -5.599 1.00 22.21 C ATOM 1826 O ASP A 110 -8.717 12.479 -4.908 1.00 21.11 O ATOM 1827 CB ASP A 110 -8.932 11.101 -8.123 1.00 53.43 C ATOM 1828 CG ASP A 110 -8.760 12.542 -8.648 1.00 74.32 C ATOM 1829 OD1 ASP A 110 -7.675 12.867 -9.168 1.00 64.32 O ATOM 1830 OD2 ASP A 110 -9.700 13.355 -8.542 1.00 23.41 O ATOM 0 H ASP A 110 -7.208 9.229 -6.170 1.00 31.41 H new ATOM 0 HA ASP A 110 -7.375 11.364 -6.707 1.00 74.22 H new ATOM 0 HB2 ASP A 110 -8.439 10.411 -8.808 1.00 53.43 H new ATOM 0 HB3 ASP A 110 -9.992 10.847 -8.122 1.00 53.43 H new ATOM 1835 N ASN A 111 -10.467 11.154 -5.468 1.00 21.32 N ATOM 1836 CA ASN A 111 -11.314 11.434 -4.299 1.00 24.54 C ATOM 1837 C ASN A 111 -10.677 10.790 -3.039 1.00 13.33 C ATOM 1838 O ASN A 111 -10.417 9.583 -2.991 1.00 24.52 O ATOM 1839 CB ASN A 111 -12.746 10.887 -4.553 1.00 15.41 C ATOM 1840 CG ASN A 111 -13.775 11.184 -3.439 1.00 22.31 C ATOM 1841 OD1 ASN A 111 -13.460 11.241 -2.253 1.00 12.21 O ATOM 1842 ND2 ASN A 111 -15.031 11.358 -3.817 1.00 75.24 N ATOM 0 H ASN A 111 -10.936 10.594 -6.181 1.00 21.32 H new ATOM 0 HA ASN A 111 -11.387 12.509 -4.135 1.00 24.54 H new ATOM 0 HB2 ASN A 111 -13.117 11.307 -5.488 1.00 15.41 H new ATOM 0 HB3 ASN A 111 -12.685 9.807 -4.690 1.00 15.41 H new ATOM 0 HD21 ASN A 111 -15.753 11.542 -3.120 1.00 75.24 H new ATOM 0 HD22 ASN A 111 -15.278 11.308 -4.805 1.00 75.24 H new ATOM 1849 N GLU A 112 -10.454 11.629 -2.038 1.00 12.53 N ATOM 1850 CA GLU A 112 -9.772 11.264 -0.775 1.00 43.43 C ATOM 1851 C GLU A 112 -10.652 10.357 0.122 1.00 2.32 C ATOM 1852 O GLU A 112 -10.149 9.417 0.742 1.00 14.01 O ATOM 1853 CB GLU A 112 -9.311 12.562 -0.021 1.00 20.23 C ATOM 1854 CG GLU A 112 -10.164 13.838 -0.279 1.00 42.34 C ATOM 1855 CD GLU A 112 -11.650 13.736 0.122 1.00 25.03 C ATOM 1856 OE1 GLU A 112 -11.951 13.786 1.320 1.00 72.21 O ATOM 1857 OE2 GLU A 112 -12.525 13.621 -0.769 1.00 14.04 O ATOM 0 H GLU A 112 -10.743 12.607 -2.068 1.00 12.53 H new ATOM 0 HA GLU A 112 -8.888 10.677 -1.023 1.00 43.43 H new ATOM 0 HB2 GLU A 112 -9.314 12.357 1.050 1.00 20.23 H new ATOM 0 HB3 GLU A 112 -8.280 12.775 -0.302 1.00 20.23 H new ATOM 0 HG2 GLU A 112 -9.715 14.670 0.264 1.00 42.34 H new ATOM 0 HG3 GLU A 112 -10.108 14.083 -1.340 1.00 42.34 H new ATOM 1864 N ASP A 113 -11.964 10.638 0.153 1.00 3.54 N ATOM 1865 CA ASP A 113 -12.942 9.903 0.986 1.00 11.43 C ATOM 1866 C ASP A 113 -13.239 8.510 0.392 1.00 1.05 C ATOM 1867 O ASP A 113 -13.551 7.559 1.123 1.00 31.23 O ATOM 1868 CB ASP A 113 -14.243 10.738 1.137 1.00 1.51 C ATOM 1869 CG ASP A 113 -15.324 10.065 2.013 1.00 31.12 C ATOM 1870 OD1 ASP A 113 -15.042 9.765 3.191 1.00 33.20 O ATOM 1871 OD2 ASP A 113 -16.468 9.865 1.545 1.00 74.10 O ATOM 0 H ASP A 113 -12.383 11.385 -0.401 1.00 3.54 H new ATOM 0 HA ASP A 113 -12.512 9.750 1.976 1.00 11.43 H new ATOM 0 HB2 ASP A 113 -13.992 11.707 1.568 1.00 1.51 H new ATOM 0 HB3 ASP A 113 -14.658 10.927 0.147 1.00 1.51 H new ATOM 1876 N GLU A 114 -13.141 8.412 -0.949 1.00 13.13 N ATOM 1877 CA GLU A 114 -13.299 7.141 -1.686 1.00 32.32 C ATOM 1878 C GLU A 114 -12.214 6.122 -1.284 1.00 53.42 C ATOM 1879 O GLU A 114 -12.461 4.913 -1.309 1.00 1.42 O ATOM 1880 CB GLU A 114 -13.246 7.392 -3.214 1.00 4.21 C ATOM 1881 CG GLU A 114 -13.592 6.157 -4.083 1.00 62.01 C ATOM 1882 CD GLU A 114 -13.308 6.339 -5.583 1.00 51.22 C ATOM 1883 OE1 GLU A 114 -13.597 7.424 -6.126 1.00 34.30 O ATOM 1884 OE2 GLU A 114 -12.834 5.382 -6.236 1.00 61.10 O ATOM 0 H GLU A 114 -12.950 9.212 -1.552 1.00 13.13 H new ATOM 0 HA GLU A 114 -14.272 6.725 -1.425 1.00 32.32 H new ATOM 0 HB2 GLU A 114 -13.937 8.198 -3.461 1.00 4.21 H new ATOM 0 HB3 GLU A 114 -12.246 7.737 -3.478 1.00 4.21 H new ATOM 0 HG2 GLU A 114 -13.024 5.301 -3.719 1.00 62.01 H new ATOM 0 HG3 GLU A 114 -14.647 5.919 -3.951 1.00 62.01 H new ATOM 1891 N ALA A 115 -11.021 6.633 -0.908 1.00 63.21 N ATOM 1892 CA ALA A 115 -9.878 5.797 -0.484 1.00 41.10 C ATOM 1893 C ALA A 115 -10.257 4.886 0.696 1.00 35.12 C ATOM 1894 O ALA A 115 -9.970 3.687 0.679 1.00 63.44 O ATOM 1895 CB ALA A 115 -8.677 6.680 -0.121 1.00 2.32 C ATOM 0 H ALA A 115 -10.824 7.634 -0.890 1.00 63.21 H new ATOM 0 HA ALA A 115 -9.601 5.156 -1.321 1.00 41.10 H new ATOM 0 HB1 ALA A 115 -7.843 6.050 0.189 1.00 2.32 H new ATOM 0 HB2 ALA A 115 -8.383 7.269 -0.989 1.00 2.32 H new ATOM 0 HB3 ALA A 115 -8.950 7.348 0.695 1.00 2.32 H new ATOM 1901 N LYS A 116 -10.952 5.489 1.679 1.00 73.51 N ATOM 1902 CA LYS A 116 -11.515 4.803 2.854 1.00 50.42 C ATOM 1903 C LYS A 116 -12.439 3.642 2.440 1.00 63.45 C ATOM 1904 O LYS A 116 -12.326 2.517 2.950 1.00 12.11 O ATOM 1905 CB LYS A 116 -12.318 5.856 3.662 1.00 1.11 C ATOM 1906 CG LYS A 116 -13.264 5.313 4.763 1.00 42.24 C ATOM 1907 CD LYS A 116 -14.359 6.336 5.130 1.00 11.21 C ATOM 1908 CE LYS A 116 -13.795 7.659 5.671 1.00 15.25 C ATOM 1909 NZ LYS A 116 -14.876 8.657 5.888 1.00 51.23 N ATOM 0 H LYS A 116 -11.141 6.491 1.677 1.00 73.51 H new ATOM 0 HA LYS A 116 -10.710 4.375 3.452 1.00 50.42 H new ATOM 0 HB2 LYS A 116 -11.609 6.540 4.129 1.00 1.11 H new ATOM 0 HB3 LYS A 116 -12.912 6.442 2.961 1.00 1.11 H new ATOM 0 HG2 LYS A 116 -13.729 4.389 4.420 1.00 42.24 H new ATOM 0 HG3 LYS A 116 -12.684 5.066 5.652 1.00 42.24 H new ATOM 0 HD2 LYS A 116 -14.966 6.541 4.248 1.00 11.21 H new ATOM 0 HD3 LYS A 116 -15.021 5.898 5.877 1.00 11.21 H new ATOM 0 HE2 LYS A 116 -13.271 7.477 6.609 1.00 15.25 H new ATOM 0 HE3 LYS A 116 -13.063 8.059 4.969 1.00 15.25 H new ATOM 0 HZ1 LYS A 116 -14.577 9.341 6.612 1.00 51.23 H new ATOM 0 HZ2 LYS A 116 -15.070 9.158 4.997 1.00 51.23 H new ATOM 0 HZ3 LYS A 116 -15.738 8.171 6.207 1.00 51.23 H new ATOM 1923 N LYS A 117 -13.346 3.950 1.498 1.00 11.14 N ATOM 1924 CA LYS A 117 -14.383 3.018 1.034 1.00 72.11 C ATOM 1925 C LYS A 117 -13.742 1.790 0.369 1.00 4.10 C ATOM 1926 O LYS A 117 -14.082 0.641 0.682 1.00 52.22 O ATOM 1927 CB LYS A 117 -15.329 3.728 0.028 1.00 5.01 C ATOM 1928 CG LYS A 117 -15.923 5.063 0.533 1.00 15.33 C ATOM 1929 CD LYS A 117 -16.899 5.703 -0.484 1.00 52.53 C ATOM 1930 CE LYS A 117 -17.410 7.083 -0.031 1.00 52.13 C ATOM 1931 NZ LYS A 117 -18.115 7.037 1.284 1.00 62.03 N ATOM 0 H LYS A 117 -13.379 4.858 1.035 1.00 11.14 H new ATOM 0 HA LYS A 117 -14.962 2.688 1.897 1.00 72.11 H new ATOM 0 HB2 LYS A 117 -14.781 3.916 -0.895 1.00 5.01 H new ATOM 0 HB3 LYS A 117 -16.148 3.052 -0.219 1.00 5.01 H new ATOM 0 HG2 LYS A 117 -16.446 4.891 1.474 1.00 15.33 H new ATOM 0 HG3 LYS A 117 -15.112 5.761 0.742 1.00 15.33 H new ATOM 0 HD2 LYS A 117 -16.399 5.804 -1.447 1.00 52.53 H new ATOM 0 HD3 LYS A 117 -17.749 5.037 -0.634 1.00 52.53 H new ATOM 0 HE2 LYS A 117 -16.568 7.772 0.037 1.00 52.13 H new ATOM 0 HE3 LYS A 117 -18.087 7.481 -0.787 1.00 52.13 H new ATOM 0 HZ1 LYS A 117 -18.481 7.983 1.515 1.00 62.03 H new ATOM 0 HZ2 LYS A 117 -18.905 6.363 1.231 1.00 62.03 H new ATOM 0 HZ3 LYS A 117 -17.450 6.733 2.024 1.00 62.03 H new ATOM 1945 N ARG A 118 -12.773 2.058 -0.522 1.00 62.32 N ATOM 1946 CA ARG A 118 -12.107 1.016 -1.305 1.00 71.40 C ATOM 1947 C ARG A 118 -11.202 0.144 -0.417 1.00 33.43 C ATOM 1948 O ARG A 118 -10.978 -1.010 -0.751 1.00 0.21 O ATOM 1949 CB ARG A 118 -11.330 1.608 -2.513 1.00 70.53 C ATOM 1950 CG ARG A 118 -12.208 2.421 -3.510 1.00 24.41 C ATOM 1951 CD ARG A 118 -11.663 2.433 -4.955 1.00 44.10 C ATOM 1952 NE ARG A 118 -10.219 2.747 -5.036 1.00 52.13 N ATOM 1953 CZ ARG A 118 -9.634 3.506 -5.980 1.00 31.12 C ATOM 1954 NH1 ARG A 118 -10.340 4.080 -6.952 1.00 11.33 N ATOM 1955 NH2 ARG A 118 -8.325 3.681 -5.943 1.00 41.33 N ATOM 0 H ARG A 118 -12.434 3.000 -0.716 1.00 62.32 H new ATOM 0 HA ARG A 118 -12.884 0.371 -1.715 1.00 71.40 H new ATOM 0 HB2 ARG A 118 -10.537 2.254 -2.137 1.00 70.53 H new ATOM 0 HB3 ARG A 118 -10.848 0.793 -3.054 1.00 70.53 H new ATOM 0 HG2 ARG A 118 -13.215 2.005 -3.515 1.00 24.41 H new ATOM 0 HG3 ARG A 118 -12.289 3.448 -3.154 1.00 24.41 H new ATOM 0 HD2 ARG A 118 -11.842 1.459 -5.411 1.00 44.10 H new ATOM 0 HD3 ARG A 118 -12.220 3.165 -5.539 1.00 44.10 H new ATOM 0 HE ARG A 118 -9.615 2.354 -4.314 1.00 52.13 H new ATOM 0 HH11 ARG A 118 -11.351 3.949 -6.994 1.00 11.33 H new ATOM 0 HH12 ARG A 118 -9.870 4.651 -7.655 1.00 11.33 H new ATOM 0 HH21 ARG A 118 -7.773 3.243 -5.206 1.00 41.33 H new ATOM 0 HH22 ARG A 118 -7.867 4.254 -6.652 1.00 41.33 H new ATOM 1969 N LEU A 119 -10.696 0.691 0.715 1.00 43.41 N ATOM 1970 CA LEU A 119 -9.916 -0.107 1.696 1.00 13.52 C ATOM 1971 C LEU A 119 -10.756 -1.265 2.246 1.00 70.11 C ATOM 1972 O LEU A 119 -10.358 -2.430 2.133 1.00 70.34 O ATOM 1973 CB LEU A 119 -9.408 0.766 2.877 1.00 23.44 C ATOM 1974 CG LEU A 119 -8.257 1.747 2.547 1.00 73.35 C ATOM 1975 CD1 LEU A 119 -7.836 2.530 3.802 1.00 14.23 C ATOM 1976 CD2 LEU A 119 -7.065 1.004 1.914 1.00 14.24 C ATOM 0 H LEU A 119 -10.812 1.672 0.971 1.00 43.41 H new ATOM 0 HA LEU A 119 -9.051 -0.505 1.165 1.00 13.52 H new ATOM 0 HB2 LEU A 119 -10.248 1.340 3.266 1.00 23.44 H new ATOM 0 HB3 LEU A 119 -9.077 0.104 3.677 1.00 23.44 H new ATOM 0 HG LEU A 119 -8.618 2.467 1.813 1.00 73.35 H new ATOM 0 HD11 LEU A 119 -7.026 3.214 3.549 1.00 14.23 H new ATOM 0 HD12 LEU A 119 -8.687 3.098 4.179 1.00 14.23 H new ATOM 0 HD13 LEU A 119 -7.497 1.833 4.569 1.00 14.23 H new ATOM 0 HD21 LEU A 119 -6.270 1.715 1.691 1.00 14.24 H new ATOM 0 HD22 LEU A 119 -6.694 0.251 2.610 1.00 14.24 H new ATOM 0 HD23 LEU A 119 -7.386 0.519 0.992 1.00 14.24 H new ATOM 1988 N LYS A 120 -11.941 -0.927 2.790 1.00 3.24 N ATOM 1989 CA LYS A 120 -12.863 -1.920 3.366 1.00 51.12 C ATOM 1990 C LYS A 120 -13.277 -2.946 2.293 1.00 65.23 C ATOM 1991 O LYS A 120 -13.301 -4.152 2.559 1.00 53.14 O ATOM 1992 CB LYS A 120 -14.112 -1.230 3.975 1.00 0.03 C ATOM 1993 CG LYS A 120 -15.089 -2.218 4.654 1.00 11.22 C ATOM 1994 CD LYS A 120 -16.361 -1.544 5.222 1.00 21.40 C ATOM 1995 CE LYS A 120 -17.332 -2.579 5.823 1.00 34.44 C ATOM 1996 NZ LYS A 120 -18.553 -1.945 6.388 1.00 32.42 N ATOM 0 H LYS A 120 -12.282 0.033 2.842 1.00 3.24 H new ATOM 0 HA LYS A 120 -12.346 -2.444 4.169 1.00 51.12 H new ATOM 0 HB2 LYS A 120 -13.788 -0.490 4.707 1.00 0.03 H new ATOM 0 HB3 LYS A 120 -14.640 -0.691 3.188 1.00 0.03 H new ATOM 0 HG2 LYS A 120 -15.384 -2.978 3.931 1.00 11.22 H new ATOM 0 HG3 LYS A 120 -14.569 -2.732 5.463 1.00 11.22 H new ATOM 0 HD2 LYS A 120 -16.079 -0.821 5.988 1.00 21.40 H new ATOM 0 HD3 LYS A 120 -16.864 -0.989 4.430 1.00 21.40 H new ATOM 0 HE2 LYS A 120 -17.620 -3.294 5.052 1.00 34.44 H new ATOM 0 HE3 LYS A 120 -16.822 -3.141 6.605 1.00 34.44 H new ATOM 0 HZ1 LYS A 120 -19.176 -2.680 6.780 1.00 32.42 H new ATOM 0 HZ2 LYS A 120 -18.283 -1.281 7.142 1.00 32.42 H new ATOM 0 HZ3 LYS A 120 -19.056 -1.430 5.637 1.00 32.42 H new ATOM 2010 N GLU A 121 -13.516 -2.432 1.064 1.00 2.12 N ATOM 2011 CA GLU A 121 -13.877 -3.235 -0.123 1.00 42.34 C ATOM 2012 C GLU A 121 -12.861 -4.376 -0.352 1.00 11.35 C ATOM 2013 O GLU A 121 -13.235 -5.553 -0.388 1.00 75.24 O ATOM 2014 CB GLU A 121 -13.927 -2.305 -1.369 1.00 45.20 C ATOM 2015 CG GLU A 121 -14.172 -3.000 -2.727 1.00 11.12 C ATOM 2016 CD GLU A 121 -15.572 -3.611 -2.854 1.00 52.04 C ATOM 2017 OE1 GLU A 121 -16.536 -2.855 -3.086 1.00 24.15 O ATOM 2018 OE2 GLU A 121 -15.721 -4.844 -2.741 1.00 45.23 O ATOM 0 H GLU A 121 -13.462 -1.432 0.869 1.00 2.12 H new ATOM 0 HA GLU A 121 -14.855 -3.688 0.041 1.00 42.34 H new ATOM 0 HB2 GLU A 121 -14.714 -1.567 -1.215 1.00 45.20 H new ATOM 0 HB3 GLU A 121 -12.985 -1.759 -1.428 1.00 45.20 H new ATOM 0 HG2 GLU A 121 -14.025 -2.276 -3.529 1.00 11.12 H new ATOM 0 HG3 GLU A 121 -13.428 -3.784 -2.865 1.00 11.12 H new ATOM 2025 N LEU A 122 -11.569 -4.004 -0.421 1.00 4.44 N ATOM 2026 CA LEU A 122 -10.472 -4.942 -0.702 1.00 62.42 C ATOM 2027 C LEU A 122 -10.314 -5.966 0.438 1.00 2.12 C ATOM 2028 O LEU A 122 -10.152 -7.148 0.173 1.00 23.05 O ATOM 2029 CB LEU A 122 -9.143 -4.171 -0.909 1.00 3.22 C ATOM 2030 CG LEU A 122 -9.141 -3.089 -2.036 1.00 63.12 C ATOM 2031 CD1 LEU A 122 -7.834 -2.293 -2.028 1.00 4.42 C ATOM 2032 CD2 LEU A 122 -9.417 -3.682 -3.425 1.00 12.13 C ATOM 0 H LEU A 122 -11.259 -3.042 -0.283 1.00 4.44 H new ATOM 0 HA LEU A 122 -10.717 -5.482 -1.617 1.00 62.42 H new ATOM 0 HB2 LEU A 122 -8.878 -3.687 0.031 1.00 3.22 H new ATOM 0 HB3 LEU A 122 -8.358 -4.895 -1.128 1.00 3.22 H new ATOM 0 HG LEU A 122 -9.963 -2.407 -1.818 1.00 63.12 H new ATOM 0 HD11 LEU A 122 -7.858 -1.546 -2.822 1.00 4.42 H new ATOM 0 HD12 LEU A 122 -7.717 -1.795 -1.065 1.00 4.42 H new ATOM 0 HD13 LEU A 122 -6.995 -2.969 -2.191 1.00 4.42 H new ATOM 0 HD21 LEU A 122 -9.404 -2.886 -4.170 1.00 12.13 H new ATOM 0 HD22 LEU A 122 -8.649 -4.417 -3.666 1.00 12.13 H new ATOM 0 HD23 LEU A 122 -10.394 -4.165 -3.427 1.00 12.13 H new ATOM 2044 N LEU A 123 -10.398 -5.481 1.694 1.00 73.11 N ATOM 2045 CA LEU A 123 -10.233 -6.318 2.918 1.00 33.21 C ATOM 2046 C LEU A 123 -11.250 -7.476 2.976 1.00 21.42 C ATOM 2047 O LEU A 123 -10.884 -8.622 3.282 1.00 34.41 O ATOM 2048 CB LEU A 123 -10.354 -5.432 4.202 1.00 34.52 C ATOM 2049 CG LEU A 123 -9.023 -4.871 4.800 1.00 32.44 C ATOM 2050 CD1 LEU A 123 -8.195 -4.055 3.780 1.00 1.52 C ATOM 2051 CD2 LEU A 123 -9.336 -4.053 6.063 1.00 23.41 C ATOM 0 H LEU A 123 -10.582 -4.498 1.897 1.00 73.11 H new ATOM 0 HA LEU A 123 -9.238 -6.760 2.874 1.00 33.21 H new ATOM 0 HB2 LEU A 123 -11.005 -4.589 3.972 1.00 34.52 H new ATOM 0 HB3 LEU A 123 -10.852 -6.019 4.974 1.00 34.52 H new ATOM 0 HG LEU A 123 -8.394 -5.720 5.067 1.00 32.44 H new ATOM 0 HD11 LEU A 123 -7.284 -3.694 4.257 1.00 1.52 H new ATOM 0 HD12 LEU A 123 -7.934 -4.689 2.933 1.00 1.52 H new ATOM 0 HD13 LEU A 123 -8.783 -3.206 3.430 1.00 1.52 H new ATOM 0 HD21 LEU A 123 -8.409 -3.661 6.482 1.00 23.41 H new ATOM 0 HD22 LEU A 123 -9.997 -3.225 5.806 1.00 23.41 H new ATOM 0 HD23 LEU A 123 -9.824 -4.692 6.799 1.00 23.41 H new ATOM 2063 N GLU A 124 -12.519 -7.152 2.680 1.00 34.15 N ATOM 2064 CA GLU A 124 -13.641 -8.113 2.715 1.00 3.20 C ATOM 2065 C GLU A 124 -13.435 -9.260 1.703 1.00 44.03 C ATOM 2066 O GLU A 124 -13.916 -10.379 1.913 1.00 2.44 O ATOM 2067 CB GLU A 124 -14.967 -7.367 2.439 1.00 73.21 C ATOM 2068 CG GLU A 124 -15.345 -6.317 3.505 1.00 51.13 C ATOM 2069 CD GLU A 124 -16.523 -5.429 3.077 1.00 50.34 C ATOM 2070 OE1 GLU A 124 -16.358 -4.641 2.121 1.00 2.13 O ATOM 2071 OE2 GLU A 124 -17.615 -5.517 3.678 1.00 3.12 O ATOM 0 H GLU A 124 -12.801 -6.210 2.407 1.00 34.15 H new ATOM 0 HA GLU A 124 -13.682 -8.563 3.707 1.00 3.20 H new ATOM 0 HB2 GLU A 124 -14.896 -6.873 1.470 1.00 73.21 H new ATOM 0 HB3 GLU A 124 -15.772 -8.098 2.366 1.00 73.21 H new ATOM 0 HG2 GLU A 124 -15.599 -6.826 4.435 1.00 51.13 H new ATOM 0 HG3 GLU A 124 -14.479 -5.688 3.712 1.00 51.13 H new ATOM 2078 N LYS A 125 -12.738 -8.964 0.589 1.00 31.22 N ATOM 2079 CA LYS A 125 -12.320 -9.990 -0.381 1.00 1.12 C ATOM 2080 C LYS A 125 -10.998 -10.632 0.110 1.00 1.05 C ATOM 2081 O LYS A 125 -10.997 -11.758 0.613 1.00 44.40 O ATOM 2082 CB LYS A 125 -12.166 -9.395 -1.823 1.00 14.42 C ATOM 2083 CG LYS A 125 -13.470 -9.148 -2.649 1.00 53.20 C ATOM 2084 CD LYS A 125 -14.266 -7.863 -2.281 1.00 40.01 C ATOM 2085 CE LYS A 125 -15.293 -8.058 -1.155 1.00 12.33 C ATOM 2086 NZ LYS A 125 -15.917 -6.767 -0.740 1.00 4.22 N ATOM 0 H LYS A 125 -12.452 -8.017 0.339 1.00 31.22 H new ATOM 0 HA LYS A 125 -13.093 -10.756 -0.445 1.00 1.12 H new ATOM 0 HB2 LYS A 125 -11.637 -8.446 -1.740 1.00 14.42 H new ATOM 0 HB3 LYS A 125 -11.527 -10.067 -2.397 1.00 14.42 H new ATOM 0 HG2 LYS A 125 -13.206 -9.100 -3.705 1.00 53.20 H new ATOM 0 HG3 LYS A 125 -14.127 -10.009 -2.523 1.00 53.20 H new ATOM 0 HD2 LYS A 125 -13.562 -7.086 -1.984 1.00 40.01 H new ATOM 0 HD3 LYS A 125 -14.783 -7.502 -3.170 1.00 40.01 H new ATOM 0 HE2 LYS A 125 -16.070 -8.746 -1.488 1.00 12.33 H new ATOM 0 HE3 LYS A 125 -14.806 -8.519 -0.295 1.00 12.33 H new ATOM 0 HZ1 LYS A 125 -16.718 -6.957 -0.105 1.00 4.22 H new ATOM 0 HZ2 LYS A 125 -15.212 -6.184 -0.244 1.00 4.22 H new ATOM 0 HZ3 LYS A 125 -16.256 -6.259 -1.582 1.00 4.22 H new ATOM 2100 N VAL A 126 -9.904 -9.865 -0.034 1.00 14.14 N ATOM 2101 CA VAL A 126 -8.537 -10.222 0.403 1.00 44.41 C ATOM 2102 C VAL A 126 -7.591 -9.044 0.064 1.00 54.45 C ATOM 2103 O VAL A 126 -6.729 -8.656 0.862 1.00 64.40 O ATOM 2104 CB VAL A 126 -8.014 -11.565 -0.256 1.00 71.22 C ATOM 2105 CG1 VAL A 126 -8.048 -11.512 -1.806 1.00 3.35 C ATOM 2106 CG2 VAL A 126 -6.614 -11.935 0.277 1.00 12.33 C ATOM 0 H VAL A 126 -9.945 -8.945 -0.473 1.00 14.14 H new ATOM 0 HA VAL A 126 -8.556 -10.401 1.478 1.00 44.41 H new ATOM 0 HB VAL A 126 -8.701 -12.359 0.038 1.00 71.22 H new ATOM 0 HG11 VAL A 126 -7.680 -12.455 -2.210 1.00 3.35 H new ATOM 0 HG12 VAL A 126 -9.072 -11.348 -2.142 1.00 3.35 H new ATOM 0 HG13 VAL A 126 -7.416 -10.696 -2.156 1.00 3.35 H new ATOM 0 HG21 VAL A 126 -6.279 -12.860 -0.192 1.00 12.33 H new ATOM 0 HG22 VAL A 126 -5.912 -11.135 0.042 1.00 12.33 H new ATOM 0 HG23 VAL A 126 -6.660 -12.072 1.357 1.00 12.33 H new ATOM 2116 N GLY A 127 -7.811 -8.466 -1.128 1.00 71.54 N ATOM 2117 CA GLY A 127 -7.037 -7.342 -1.648 1.00 63.33 C ATOM 2118 C GLY A 127 -7.360 -7.138 -3.119 1.00 65.10 C ATOM 2119 O GLY A 127 -6.458 -6.970 -3.954 1.00 14.34 O ATOM 0 H GLY A 127 -8.546 -8.777 -1.763 1.00 71.54 H new ATOM 0 HA2 GLY A 127 -7.268 -6.437 -1.086 1.00 63.33 H new ATOM 0 HA3 GLY A 127 -5.971 -7.532 -1.522 1.00 63.33 H new