USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 615 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 29 LYS NZ :NH3+ 177:sc= 1.21 (180deg=0.566) USER MOD Set 1.2: A 64 TYR OH : rot 14:sc= 1.47 USER MOD Single : A 1 MET CE :methyl 150:sc= 0 (180deg=-0.911) USER MOD Single : A 1 MET N :NH3+ -165:sc=-0.00985 (180deg=-0.224) USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.0137 USER MOD Single : A 6 SER OG : rot 135:sc= 0.403 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=-0.063) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 51:sc= 0.198 USER MOD Single : A 37 GLN : amide:sc= -0.397 K(o=-0.4,f=-3.4!) USER MOD Single : A 41 GLN : amide:sc= 0.526 K(o=0.53,f=-3.6!) USER MOD Single : A 44 GLN : amide:sc= -0.104 X(o=-0.1,f=-0.59) USER MOD Single : A 49 GLN : amide:sc= -5.35! C(o=-5.3!,f=-5.5!) USER MOD Single : A 54 GLN : amide:sc= 0.375 K(o=0.37,f=-1.9!) USER MOD Single : A 58 SER OG : rot 180:sc= -0.0239 USER MOD Single : A 66 CYS SG : rot 115:sc= -0.419 USER MOD Single : A 70 GLN : amide:sc= -0.898 K(o=-0.9,f=-2.2!) USER MOD Single : A 72 SER OG : rot 180:sc=-0.00358 USER MOD Single : A 78 SER OG : rot 34:sc= 0.537 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.629 7.227 8.994 1.00 4.32 N ATOM 2 CA MET A 1 -5.601 6.903 7.973 1.00 51.30 C ATOM 3 C MET A 1 -4.597 5.860 8.522 1.00 42.44 C ATOM 4 O MET A 1 -3.956 6.088 9.551 1.00 24.22 O ATOM 5 CB MET A 1 -4.880 8.196 7.517 1.00 14.13 C ATOM 6 CG MET A 1 -5.800 9.230 6.848 1.00 33.41 C ATOM 7 SD MET A 1 -4.934 10.753 6.405 1.00 73.11 S ATOM 8 CE MET A 1 -6.249 11.720 5.660 1.00 61.02 C ATOM 0 H1 MET A 1 -7.425 7.719 8.541 1.00 4.32 H new ATOM 0 H2 MET A 1 -6.970 6.349 9.434 1.00 4.32 H new ATOM 0 H3 MET A 1 -6.213 7.841 9.723 1.00 4.32 H new ATOM 0 HA MET A 1 -6.090 6.463 7.104 1.00 51.30 H new ATOM 0 HB2 MET A 1 -4.403 8.657 8.382 1.00 14.13 H new ATOM 0 HB3 MET A 1 -4.086 7.929 6.820 1.00 14.13 H new ATOM 0 HG2 MET A 1 -6.239 8.793 5.951 1.00 33.41 H new ATOM 0 HG3 MET A 1 -6.623 9.468 7.522 1.00 33.41 H new ATOM 0 HE1 MET A 1 -6.058 12.781 5.823 1.00 61.02 H new ATOM 0 HE2 MET A 1 -6.287 11.519 4.589 1.00 61.02 H new ATOM 0 HE3 MET A 1 -7.202 11.449 6.114 1.00 61.02 H new ATOM 18 N THR A 2 -4.468 4.731 7.805 1.00 73.22 N ATOM 19 CA THR A 2 -3.711 3.530 8.241 1.00 0.12 C ATOM 20 C THR A 2 -2.172 3.716 7.992 1.00 15.45 C ATOM 21 O THR A 2 -1.668 3.420 6.911 1.00 42.45 O ATOM 22 CB THR A 2 -4.276 2.269 7.465 1.00 53.23 C ATOM 23 OG1 THR A 2 -5.710 2.387 7.320 1.00 74.21 O ATOM 24 CG2 THR A 2 -3.975 0.922 8.157 1.00 2.51 C ATOM 0 H THR A 2 -4.894 4.619 6.885 1.00 73.22 H new ATOM 0 HA THR A 2 -3.841 3.380 9.313 1.00 0.12 H new ATOM 0 HB THR A 2 -3.769 2.263 6.500 1.00 53.23 H new ATOM 0 HG1 THR A 2 -6.055 1.607 6.838 1.00 74.21 H new ATOM 0 HG21 THR A 2 -4.394 0.108 7.566 1.00 2.51 H new ATOM 0 HG22 THR A 2 -2.896 0.790 8.244 1.00 2.51 H new ATOM 0 HG23 THR A 2 -4.422 0.916 9.151 1.00 2.51 H new ATOM 32 N ARG A 3 -1.446 4.239 9.008 1.00 24.34 N ATOM 33 CA ARG A 3 -0.016 4.673 8.876 1.00 30.13 C ATOM 34 C ARG A 3 1.019 3.517 8.991 1.00 23.23 C ATOM 35 O ARG A 3 0.885 2.633 9.841 1.00 41.20 O ATOM 36 CB ARG A 3 0.306 5.752 9.953 1.00 12.45 C ATOM 37 CG ARG A 3 -0.275 7.148 9.655 1.00 11.11 C ATOM 38 CD ARG A 3 0.079 8.195 10.735 1.00 41.23 C ATOM 39 NE ARG A 3 0.048 9.570 10.193 1.00 34.24 N ATOM 40 CZ ARG A 3 -0.585 10.602 10.706 1.00 42.52 C ATOM 41 NH1 ARG A 3 -1.368 10.475 11.727 1.00 63.20 N ATOM 42 NH2 ARG A 3 -0.437 11.760 10.163 1.00 71.15 N ATOM 0 H ARG A 3 -1.825 4.376 9.945 1.00 24.34 H new ATOM 0 HA ARG A 3 0.080 5.075 7.867 1.00 30.13 H new ATOM 0 HB2 ARG A 3 -0.076 5.412 10.915 1.00 12.45 H new ATOM 0 HB3 ARG A 3 1.388 5.837 10.052 1.00 12.45 H new ATOM 0 HG2 ARG A 3 0.096 7.491 8.689 1.00 11.11 H new ATOM 0 HG3 ARG A 3 -1.359 7.073 9.571 1.00 11.11 H new ATOM 0 HD2 ARG A 3 -0.624 8.115 11.564 1.00 41.23 H new ATOM 0 HD3 ARG A 3 1.070 7.984 11.136 1.00 41.23 H new ATOM 0 HE ARG A 3 0.571 9.735 9.333 1.00 34.24 H new ATOM 0 HH11 ARG A 3 -1.506 9.559 12.153 1.00 63.20 H new ATOM 0 HH12 ARG A 3 -1.848 11.291 12.106 1.00 63.20 H new ATOM 0 HH21 ARG A 3 0.165 11.867 9.346 1.00 71.15 H new ATOM 0 HH22 ARG A 3 -0.921 12.570 10.549 1.00 71.15 H new ATOM 56 N VAL A 4 2.066 3.571 8.129 1.00 22.13 N ATOM 57 CA VAL A 4 3.250 2.660 8.163 1.00 53.00 C ATOM 58 C VAL A 4 4.546 3.458 7.819 1.00 2.22 C ATOM 59 O VAL A 4 4.554 4.265 6.887 1.00 20.00 O ATOM 60 CB VAL A 4 3.104 1.447 7.143 1.00 2.31 C ATOM 61 CG1 VAL A 4 4.408 0.597 7.043 1.00 51.13 C ATOM 62 CG2 VAL A 4 1.898 0.532 7.497 1.00 63.32 C ATOM 0 H VAL A 4 2.117 4.258 7.377 1.00 22.13 H new ATOM 0 HA VAL A 4 3.311 2.251 9.171 1.00 53.00 H new ATOM 0 HB VAL A 4 2.920 1.897 6.168 1.00 2.31 H new ATOM 0 HG11 VAL A 4 4.258 -0.218 6.335 1.00 51.13 H new ATOM 0 HG12 VAL A 4 5.228 1.228 6.701 1.00 51.13 H new ATOM 0 HG13 VAL A 4 4.650 0.186 8.023 1.00 51.13 H new ATOM 0 HG21 VAL A 4 1.835 -0.283 6.776 1.00 63.32 H new ATOM 0 HG22 VAL A 4 2.034 0.121 8.497 1.00 63.32 H new ATOM 0 HG23 VAL A 4 0.978 1.115 7.467 1.00 63.32 H new ATOM 72 N ARG A 5 5.637 3.232 8.580 1.00 12.23 N ATOM 73 CA ARG A 5 6.990 3.761 8.244 1.00 23.24 C ATOM 74 C ARG A 5 7.904 2.618 7.730 1.00 55.20 C ATOM 75 O ARG A 5 7.818 1.483 8.208 1.00 32.30 O ATOM 76 CB ARG A 5 7.645 4.446 9.483 1.00 51.13 C ATOM 77 CG ARG A 5 9.061 5.026 9.214 1.00 30.31 C ATOM 78 CD ARG A 5 9.720 5.646 10.456 1.00 63.23 C ATOM 79 NE ARG A 5 8.987 6.825 10.949 1.00 34.43 N ATOM 80 CZ ARG A 5 9.377 7.600 11.936 1.00 73.22 C ATOM 81 NH1 ARG A 5 10.474 7.372 12.587 1.00 31.22 N ATOM 82 NH2 ARG A 5 8.653 8.611 12.266 1.00 42.43 N ATOM 0 H ARG A 5 5.614 2.683 9.439 1.00 12.23 H new ATOM 0 HA ARG A 5 6.874 4.507 7.458 1.00 23.24 H new ATOM 0 HB2 ARG A 5 6.994 5.250 9.826 1.00 51.13 H new ATOM 0 HB3 ARG A 5 7.710 3.720 10.294 1.00 51.13 H new ATOM 0 HG2 ARG A 5 9.702 4.232 8.831 1.00 30.31 H new ATOM 0 HG3 ARG A 5 8.991 5.784 8.434 1.00 30.31 H new ATOM 0 HD2 ARG A 5 9.774 4.898 11.247 1.00 63.23 H new ATOM 0 HD3 ARG A 5 10.744 5.932 10.216 1.00 63.23 H new ATOM 0 HE ARG A 5 8.108 7.058 10.488 1.00 34.43 H new ATOM 0 HH11 ARG A 5 11.059 6.574 12.337 1.00 31.22 H new ATOM 0 HH12 ARG A 5 10.753 7.990 13.349 1.00 31.22 H new ATOM 0 HH21 ARG A 5 7.787 8.804 11.763 1.00 42.43 H new ATOM 0 HH22 ARG A 5 8.945 9.220 13.030 1.00 42.43 H new ATOM 96 N SER A 6 8.785 2.931 6.758 1.00 14.24 N ATOM 97 CA SER A 6 9.791 1.973 6.224 1.00 42.44 C ATOM 98 C SER A 6 11.174 2.650 6.091 1.00 44.34 C ATOM 99 O SER A 6 11.272 3.880 6.084 1.00 12.20 O ATOM 100 CB SER A 6 9.329 1.412 4.857 1.00 74.13 C ATOM 101 OG SER A 6 10.249 0.458 4.349 1.00 54.12 O ATOM 0 H SER A 6 8.824 3.851 6.318 1.00 14.24 H new ATOM 0 HA SER A 6 9.883 1.145 6.927 1.00 42.44 H new ATOM 0 HB2 SER A 6 8.347 0.951 4.965 1.00 74.13 H new ATOM 0 HB3 SER A 6 9.221 2.230 4.145 1.00 74.13 H new ATOM 0 HG SER A 6 9.760 -0.323 4.016 1.00 54.12 H new ATOM 107 N THR A 7 12.235 1.830 5.986 1.00 35.32 N ATOM 108 CA THR A 7 13.636 2.311 5.861 1.00 72.52 C ATOM 109 C THR A 7 14.151 2.203 4.403 1.00 50.30 C ATOM 110 O THR A 7 13.777 1.268 3.680 1.00 33.12 O ATOM 111 CB THR A 7 14.609 1.535 6.822 1.00 14.14 C ATOM 112 OG1 THR A 7 14.329 0.123 6.803 1.00 12.15 O ATOM 113 CG2 THR A 7 14.543 2.080 8.256 1.00 63.20 C ATOM 0 H THR A 7 12.153 0.813 5.985 1.00 35.32 H new ATOM 0 HA THR A 7 13.626 3.361 6.152 1.00 72.52 H new ATOM 0 HB THR A 7 15.623 1.692 6.455 1.00 14.14 H new ATOM 0 HG1 THR A 7 14.947 -0.341 7.406 1.00 12.15 H new ATOM 0 HG21 THR A 7 15.229 1.519 8.890 1.00 63.20 H new ATOM 0 HG22 THR A 7 14.825 3.133 8.258 1.00 63.20 H new ATOM 0 HG23 THR A 7 13.528 1.976 8.638 1.00 63.20 H new ATOM 121 N PRO A 8 15.047 3.156 3.970 1.00 15.35 N ATOM 122 CA PRO A 8 15.565 3.226 2.577 1.00 72.33 C ATOM 123 C PRO A 8 16.468 2.015 2.170 1.00 14.13 C ATOM 124 O PRO A 8 17.604 1.889 2.637 1.00 50.42 O ATOM 125 CB PRO A 8 16.348 4.566 2.578 1.00 63.11 C ATOM 126 CG PRO A 8 16.791 4.741 3.991 1.00 44.11 C ATOM 127 CD PRO A 8 15.626 4.254 4.814 1.00 71.40 C ATOM 0 HA PRO A 8 14.765 3.180 1.839 1.00 72.33 H new ATOM 0 HB2 PRO A 8 17.199 4.529 1.897 1.00 63.11 H new ATOM 0 HB3 PRO A 8 15.717 5.394 2.255 1.00 63.11 H new ATOM 0 HG2 PRO A 8 17.692 4.165 4.199 1.00 44.11 H new ATOM 0 HG3 PRO A 8 17.022 5.784 4.208 1.00 44.11 H new ATOM 0 HD2 PRO A 8 15.947 3.886 5.789 1.00 71.40 H new ATOM 0 HD3 PRO A 8 14.901 5.048 4.995 1.00 71.40 H new ATOM 135 N GLY A 9 15.935 1.125 1.298 1.00 71.24 N ATOM 136 CA GLY A 9 16.683 -0.036 0.776 1.00 1.10 C ATOM 137 C GLY A 9 16.280 -1.365 1.421 1.00 73.01 C ATOM 138 O GLY A 9 17.140 -2.165 1.817 1.00 61.50 O ATOM 0 H GLY A 9 14.982 1.194 0.941 1.00 71.24 H new ATOM 0 HA2 GLY A 9 16.529 -0.103 -0.301 1.00 1.10 H new ATOM 0 HA3 GLY A 9 17.749 0.127 0.936 1.00 1.10 H new ATOM 142 N GLY A 10 14.962 -1.602 1.512 1.00 14.45 N ATOM 143 CA GLY A 10 14.418 -2.859 2.046 1.00 63.21 C ATOM 144 C GLY A 10 13.139 -3.288 1.323 1.00 23.31 C ATOM 145 O GLY A 10 13.170 -3.605 0.125 1.00 14.02 O ATOM 0 H GLY A 10 14.249 -0.933 1.220 1.00 14.45 H new ATOM 0 HA2 GLY A 10 15.167 -3.645 1.954 1.00 63.21 H new ATOM 0 HA3 GLY A 10 14.210 -2.740 3.109 1.00 63.21 H new ATOM 149 N ASP A 11 12.014 -3.288 2.048 1.00 63.41 N ATOM 150 CA ASP A 11 10.692 -3.656 1.501 1.00 61.23 C ATOM 151 C ASP A 11 9.579 -2.823 2.172 1.00 22.31 C ATOM 152 O ASP A 11 9.794 -2.199 3.217 1.00 13.44 O ATOM 153 CB ASP A 11 10.428 -5.178 1.688 1.00 61.32 C ATOM 154 CG ASP A 11 10.450 -5.621 3.165 1.00 32.11 C ATOM 155 OD1 ASP A 11 11.545 -5.906 3.696 1.00 14.41 O ATOM 156 OD2 ASP A 11 9.376 -5.667 3.809 1.00 20.31 O ATOM 0 H ASP A 11 11.989 -3.032 3.035 1.00 63.41 H new ATOM 0 HA ASP A 11 10.687 -3.437 0.433 1.00 61.23 H new ATOM 0 HB2 ASP A 11 9.460 -5.428 1.255 1.00 61.32 H new ATOM 0 HB3 ASP A 11 11.180 -5.741 1.135 1.00 61.32 H new ATOM 161 N LEU A 12 8.398 -2.814 1.556 1.00 30.10 N ATOM 162 CA LEU A 12 7.201 -2.162 2.108 1.00 4.12 C ATOM 163 C LEU A 12 6.022 -3.150 2.094 1.00 14.12 C ATOM 164 O LEU A 12 5.432 -3.390 1.047 1.00 45.20 O ATOM 165 CB LEU A 12 6.857 -0.886 1.294 1.00 54.20 C ATOM 166 CG LEU A 12 5.580 -0.119 1.756 1.00 23.53 C ATOM 167 CD1 LEU A 12 5.712 0.360 3.222 1.00 20.15 C ATOM 168 CD2 LEU A 12 5.252 1.042 0.792 1.00 65.22 C ATOM 0 H LEU A 12 8.239 -3.261 0.653 1.00 30.10 H new ATOM 0 HA LEU A 12 7.398 -1.863 3.138 1.00 4.12 H new ATOM 0 HB2 LEU A 12 7.706 -0.205 1.343 1.00 54.20 H new ATOM 0 HB3 LEU A 12 6.733 -1.166 0.248 1.00 54.20 H new ATOM 0 HG LEU A 12 4.739 -0.812 1.724 1.00 23.53 H new ATOM 0 HD11 LEU A 12 4.806 0.891 3.514 1.00 20.15 H new ATOM 0 HD12 LEU A 12 5.854 -0.501 3.875 1.00 20.15 H new ATOM 0 HD13 LEU A 12 6.569 1.028 3.311 1.00 20.15 H new ATOM 0 HD21 LEU A 12 4.357 1.560 1.137 1.00 65.22 H new ATOM 0 HD22 LEU A 12 6.088 1.740 0.766 1.00 65.22 H new ATOM 0 HD23 LEU A 12 5.078 0.646 -0.209 1.00 65.22 H new ATOM 180 N GLU A 13 5.694 -3.727 3.258 1.00 31.21 N ATOM 181 CA GLU A 13 4.589 -4.698 3.394 1.00 40.24 C ATOM 182 C GLU A 13 3.434 -4.065 4.190 1.00 63.23 C ATOM 183 O GLU A 13 3.537 -3.877 5.404 1.00 72.53 O ATOM 184 CB GLU A 13 5.094 -5.994 4.087 1.00 22.44 C ATOM 185 CG GLU A 13 4.029 -7.101 4.236 1.00 44.22 C ATOM 186 CD GLU A 13 4.582 -8.394 4.862 1.00 41.13 C ATOM 187 OE1 GLU A 13 5.147 -9.234 4.125 1.00 64.02 O ATOM 188 OE2 GLU A 13 4.467 -8.568 6.093 1.00 52.02 O ATOM 0 H GLU A 13 6.183 -3.537 4.133 1.00 31.21 H new ATOM 0 HA GLU A 13 4.222 -4.965 2.403 1.00 40.24 H new ATOM 0 HB2 GLU A 13 5.934 -6.391 3.517 1.00 22.44 H new ATOM 0 HB3 GLU A 13 5.473 -5.737 5.076 1.00 22.44 H new ATOM 0 HG2 GLU A 13 3.210 -6.728 4.852 1.00 44.22 H new ATOM 0 HG3 GLU A 13 3.612 -7.329 3.255 1.00 44.22 H new ATOM 195 N LEU A 14 2.359 -3.682 3.492 1.00 35.53 N ATOM 196 CA LEU A 14 1.138 -3.162 4.125 1.00 71.33 C ATOM 197 C LEU A 14 0.174 -4.326 4.417 1.00 15.05 C ATOM 198 O LEU A 14 -0.496 -4.820 3.509 1.00 74.54 O ATOM 199 CB LEU A 14 0.460 -2.113 3.190 1.00 73.25 C ATOM 200 CG LEU A 14 1.361 -0.917 2.738 1.00 41.32 C ATOM 201 CD1 LEU A 14 0.577 0.086 1.871 1.00 45.10 C ATOM 202 CD2 LEU A 14 2.015 -0.213 3.943 1.00 54.43 C ATOM 0 H LEU A 14 2.309 -3.723 2.474 1.00 35.53 H new ATOM 0 HA LEU A 14 1.396 -2.673 5.064 1.00 71.33 H new ATOM 0 HB2 LEU A 14 0.100 -2.628 2.299 1.00 73.25 H new ATOM 0 HB3 LEU A 14 -0.415 -1.711 3.701 1.00 73.25 H new ATOM 0 HG LEU A 14 2.160 -1.332 2.124 1.00 41.32 H new ATOM 0 HD11 LEU A 14 1.235 0.903 1.575 1.00 45.10 H new ATOM 0 HD12 LEU A 14 0.202 -0.418 0.980 1.00 45.10 H new ATOM 0 HD13 LEU A 14 -0.261 0.484 2.443 1.00 45.10 H new ATOM 0 HD21 LEU A 14 2.633 0.612 3.590 1.00 54.43 H new ATOM 0 HD22 LEU A 14 1.239 0.172 4.605 1.00 54.43 H new ATOM 0 HD23 LEU A 14 2.636 -0.925 4.487 1.00 54.43 H new ATOM 214 N VAL A 15 0.119 -4.765 5.686 1.00 71.21 N ATOM 215 CA VAL A 15 -0.847 -5.786 6.139 1.00 72.04 C ATOM 216 C VAL A 15 -2.113 -5.064 6.625 1.00 15.34 C ATOM 217 O VAL A 15 -2.056 -4.241 7.543 1.00 50.20 O ATOM 218 CB VAL A 15 -0.258 -6.702 7.273 1.00 43.01 C ATOM 219 CG1 VAL A 15 -1.298 -7.760 7.753 1.00 30.40 C ATOM 220 CG2 VAL A 15 1.056 -7.376 6.797 1.00 62.33 C ATOM 0 H VAL A 15 0.737 -4.426 6.423 1.00 71.21 H new ATOM 0 HA VAL A 15 -1.081 -6.447 5.304 1.00 72.04 H new ATOM 0 HB VAL A 15 -0.026 -6.071 8.131 1.00 43.01 H new ATOM 0 HG11 VAL A 15 -0.856 -8.375 8.537 1.00 30.40 H new ATOM 0 HG12 VAL A 15 -2.180 -7.252 8.144 1.00 30.40 H new ATOM 0 HG13 VAL A 15 -1.586 -8.393 6.914 1.00 30.40 H new ATOM 0 HG21 VAL A 15 1.451 -8.007 7.594 1.00 62.33 H new ATOM 0 HG22 VAL A 15 0.854 -7.987 5.917 1.00 62.33 H new ATOM 0 HG23 VAL A 15 1.788 -6.609 6.545 1.00 62.33 H new ATOM 230 N VAL A 16 -3.242 -5.362 5.980 1.00 63.20 N ATOM 231 CA VAL A 16 -4.494 -4.601 6.133 1.00 21.13 C ATOM 232 C VAL A 16 -5.581 -5.454 6.814 1.00 65.12 C ATOM 233 O VAL A 16 -5.768 -6.614 6.462 1.00 65.43 O ATOM 234 CB VAL A 16 -5.021 -4.131 4.727 1.00 53.55 C ATOM 235 CG1 VAL A 16 -6.206 -3.150 4.855 1.00 32.53 C ATOM 236 CG2 VAL A 16 -3.882 -3.530 3.872 1.00 22.24 C ATOM 0 H VAL A 16 -3.319 -6.144 5.330 1.00 63.20 H new ATOM 0 HA VAL A 16 -4.280 -3.734 6.757 1.00 21.13 H new ATOM 0 HB VAL A 16 -5.392 -5.016 4.210 1.00 53.55 H new ATOM 0 HG11 VAL A 16 -6.539 -2.850 3.861 1.00 32.53 H new ATOM 0 HG12 VAL A 16 -7.027 -3.637 5.381 1.00 32.53 H new ATOM 0 HG13 VAL A 16 -5.890 -2.268 5.413 1.00 32.53 H new ATOM 0 HG21 VAL A 16 -4.279 -3.215 2.907 1.00 22.24 H new ATOM 0 HG22 VAL A 16 -3.455 -2.669 4.387 1.00 22.24 H new ATOM 0 HG23 VAL A 16 -3.107 -4.281 3.718 1.00 22.24 H new ATOM 246 N HIS A 17 -6.270 -4.872 7.804 1.00 64.23 N ATOM 247 CA HIS A 17 -7.518 -5.424 8.374 1.00 1.55 C ATOM 248 C HIS A 17 -8.558 -4.293 8.519 1.00 64.21 C ATOM 249 O HIS A 17 -9.064 -4.017 9.616 1.00 51.34 O ATOM 250 CB HIS A 17 -7.254 -6.144 9.730 1.00 2.10 C ATOM 251 CG HIS A 17 -6.476 -7.428 9.601 1.00 75.03 C ATOM 252 ND1 HIS A 17 -5.169 -7.566 10.002 1.00 60.21 N ATOM 253 CD2 HIS A 17 -6.834 -8.632 9.097 1.00 42.13 C ATOM 254 CE1 HIS A 17 -4.756 -8.788 9.754 1.00 52.15 C ATOM 255 NE2 HIS A 17 -5.743 -9.459 9.206 1.00 51.40 N ATOM 0 H HIS A 17 -5.979 -3.997 8.240 1.00 64.23 H new ATOM 0 HA HIS A 17 -7.916 -6.179 7.695 1.00 1.55 H new ATOM 0 HB2 HIS A 17 -6.711 -5.467 10.389 1.00 2.10 H new ATOM 0 HB3 HIS A 17 -8.210 -6.357 10.209 1.00 2.10 H new ATOM 0 HD2 HIS A 17 -7.798 -8.894 8.686 1.00 42.13 H new ATOM 0 HE1 HIS A 17 -3.770 -9.176 9.965 1.00 52.15 H new ATOM 0 HE2 HIS A 17 -5.705 -10.434 8.910 1.00 51.40 H new ATOM 264 N LEU A 18 -8.826 -3.593 7.393 1.00 1.31 N ATOM 265 CA LEU A 18 -9.941 -2.622 7.293 1.00 0.44 C ATOM 266 C LEU A 18 -11.333 -3.261 7.570 1.00 5.44 C ATOM 267 O LEU A 18 -11.513 -4.481 7.474 1.00 20.22 O ATOM 268 CB LEU A 18 -9.908 -1.863 5.918 1.00 14.40 C ATOM 269 CG LEU A 18 -9.709 -2.686 4.580 1.00 71.11 C ATOM 270 CD1 LEU A 18 -10.808 -3.731 4.302 1.00 65.00 C ATOM 271 CD2 LEU A 18 -9.540 -1.725 3.372 1.00 63.23 C ATOM 0 H LEU A 18 -8.281 -3.683 6.535 1.00 1.31 H new ATOM 0 HA LEU A 18 -9.789 -1.889 8.085 1.00 0.44 H new ATOM 0 HB2 LEU A 18 -10.844 -1.311 5.826 1.00 14.40 H new ATOM 0 HB3 LEU A 18 -9.107 -1.126 5.971 1.00 14.40 H new ATOM 0 HG LEU A 18 -8.795 -3.263 4.722 1.00 71.11 H new ATOM 0 HD11 LEU A 18 -10.591 -4.247 3.367 1.00 65.00 H new ATOM 0 HD12 LEU A 18 -10.837 -4.454 5.117 1.00 65.00 H new ATOM 0 HD13 LEU A 18 -11.774 -3.232 4.226 1.00 65.00 H new ATOM 0 HD21 LEU A 18 -9.404 -2.307 2.460 1.00 63.23 H new ATOM 0 HD22 LEU A 18 -10.429 -1.102 3.276 1.00 63.23 H new ATOM 0 HD23 LEU A 18 -8.668 -1.091 3.531 1.00 63.23 H new ATOM 283 N SER A 19 -12.313 -2.400 7.892 1.00 12.22 N ATOM 284 CA SER A 19 -13.704 -2.814 8.214 1.00 23.12 C ATOM 285 C SER A 19 -14.526 -3.155 6.942 1.00 4.44 C ATOM 286 O SER A 19 -15.695 -3.531 7.049 1.00 14.52 O ATOM 287 CB SER A 19 -14.409 -1.701 9.025 1.00 3.42 C ATOM 288 OG SER A 19 -13.658 -1.341 10.173 1.00 54.21 O ATOM 0 H SER A 19 -12.170 -1.391 7.939 1.00 12.22 H new ATOM 0 HA SER A 19 -13.646 -3.723 8.812 1.00 23.12 H new ATOM 0 HB2 SER A 19 -14.553 -0.824 8.393 1.00 3.42 H new ATOM 0 HB3 SER A 19 -15.399 -2.042 9.328 1.00 3.42 H new ATOM 0 HG SER A 19 -14.128 -0.635 10.663 1.00 54.21 H new ATOM 294 N GLY A 20 -13.907 -3.005 5.748 1.00 12.42 N ATOM 295 CA GLY A 20 -14.517 -3.436 4.476 1.00 71.03 C ATOM 296 C GLY A 20 -14.496 -4.967 4.269 1.00 24.50 C ATOM 297 O GLY A 20 -14.007 -5.701 5.138 1.00 52.02 O ATOM 0 H GLY A 20 -12.983 -2.587 5.643 1.00 12.42 H new ATOM 0 HA2 GLY A 20 -15.549 -3.087 4.441 1.00 71.03 H new ATOM 0 HA3 GLY A 20 -13.990 -2.959 3.650 1.00 71.03 H new ATOM 301 N PRO A 21 -15.006 -5.487 3.106 1.00 52.42 N ATOM 302 CA PRO A 21 -15.127 -6.954 2.860 1.00 71.21 C ATOM 303 C PRO A 21 -13.763 -7.655 2.601 1.00 12.20 C ATOM 304 O PRO A 21 -13.529 -8.777 3.067 1.00 22.15 O ATOM 305 CB PRO A 21 -16.053 -7.017 1.616 1.00 14.55 C ATOM 306 CG PRO A 21 -15.782 -5.734 0.878 1.00 22.05 C ATOM 307 CD PRO A 21 -15.505 -4.692 1.948 1.00 15.50 C ATOM 0 HA PRO A 21 -15.518 -7.485 3.728 1.00 71.21 H new ATOM 0 HB2 PRO A 21 -15.828 -7.886 0.997 1.00 14.55 H new ATOM 0 HB3 PRO A 21 -17.101 -7.095 1.905 1.00 14.55 H new ATOM 0 HG2 PRO A 21 -14.930 -5.841 0.207 1.00 22.05 H new ATOM 0 HG3 PRO A 21 -16.637 -5.447 0.265 1.00 22.05 H new ATOM 0 HD2 PRO A 21 -14.765 -3.965 1.615 1.00 15.50 H new ATOM 0 HD3 PRO A 21 -16.406 -4.135 2.205 1.00 15.50 H new ATOM 315 N GLY A 22 -12.866 -6.964 1.877 1.00 42.11 N ATOM 316 CA GLY A 22 -11.576 -7.519 1.458 1.00 23.11 C ATOM 317 C GLY A 22 -11.426 -7.518 -0.065 1.00 32.50 C ATOM 318 O GLY A 22 -11.684 -6.499 -0.715 1.00 35.54 O ATOM 0 H GLY A 22 -13.019 -6.004 1.568 1.00 42.11 H new ATOM 0 HA2 GLY A 22 -10.768 -6.938 1.903 1.00 23.11 H new ATOM 0 HA3 GLY A 22 -11.480 -8.538 1.832 1.00 23.11 H new ATOM 322 N GLY A 23 -11.035 -8.672 -0.633 1.00 41.01 N ATOM 323 CA GLY A 23 -10.731 -8.797 -2.061 1.00 51.20 C ATOM 324 C GLY A 23 -11.933 -9.208 -2.931 1.00 50.33 C ATOM 325 O GLY A 23 -12.872 -9.828 -2.417 1.00 34.51 O ATOM 0 H GLY A 23 -10.922 -9.541 -0.112 1.00 41.01 H new ATOM 0 HA2 GLY A 23 -10.344 -7.844 -2.423 1.00 51.20 H new ATOM 0 HA3 GLY A 23 -9.937 -9.533 -2.188 1.00 51.20 H new ATOM 329 N PRO A 24 -11.933 -8.906 -4.281 1.00 72.33 N ATOM 330 CA PRO A 24 -10.813 -8.220 -4.991 1.00 42.03 C ATOM 331 C PRO A 24 -10.810 -6.681 -4.755 1.00 2.14 C ATOM 332 O PRO A 24 -11.653 -5.954 -5.280 1.00 33.33 O ATOM 333 CB PRO A 24 -11.070 -8.592 -6.474 1.00 3.41 C ATOM 334 CG PRO A 24 -12.568 -8.732 -6.579 1.00 30.41 C ATOM 335 CD PRO A 24 -13.057 -9.219 -5.216 1.00 11.04 C ATOM 0 HA PRO A 24 -9.830 -8.531 -4.637 1.00 42.03 H new ATOM 0 HB2 PRO A 24 -10.696 -7.820 -7.147 1.00 3.41 H new ATOM 0 HB3 PRO A 24 -10.566 -9.520 -6.743 1.00 3.41 H new ATOM 0 HG2 PRO A 24 -13.029 -7.779 -6.838 1.00 30.41 H new ATOM 0 HG3 PRO A 24 -12.837 -9.440 -7.363 1.00 30.41 H new ATOM 0 HD2 PRO A 24 -13.974 -8.710 -4.918 1.00 11.04 H new ATOM 0 HD3 PRO A 24 -13.275 -10.287 -5.231 1.00 11.04 H new ATOM 343 N VAL A 25 -9.858 -6.202 -3.929 1.00 1.52 N ATOM 344 CA VAL A 25 -9.794 -4.785 -3.508 1.00 1.52 C ATOM 345 C VAL A 25 -9.010 -3.929 -4.547 1.00 14.24 C ATOM 346 O VAL A 25 -8.261 -4.460 -5.376 1.00 61.11 O ATOM 347 CB VAL A 25 -9.150 -4.657 -2.057 1.00 13.44 C ATOM 348 CG1 VAL A 25 -7.629 -4.346 -2.088 1.00 75.53 C ATOM 349 CG2 VAL A 25 -9.920 -3.652 -1.163 1.00 62.24 C ATOM 0 H VAL A 25 -9.116 -6.781 -3.536 1.00 1.52 H new ATOM 0 HA VAL A 25 -10.812 -4.399 -3.460 1.00 1.52 H new ATOM 0 HB VAL A 25 -9.251 -5.643 -1.603 1.00 13.44 H new ATOM 0 HG11 VAL A 25 -7.252 -4.271 -1.068 1.00 75.53 H new ATOM 0 HG12 VAL A 25 -7.105 -5.146 -2.611 1.00 75.53 H new ATOM 0 HG13 VAL A 25 -7.461 -3.402 -2.607 1.00 75.53 H new ATOM 0 HG21 VAL A 25 -9.445 -3.598 -0.184 1.00 62.24 H new ATOM 0 HG22 VAL A 25 -9.906 -2.666 -1.628 1.00 62.24 H new ATOM 0 HG23 VAL A 25 -10.952 -3.984 -1.048 1.00 62.24 H new ATOM 359 N ARG A 26 -9.199 -2.609 -4.474 1.00 55.34 N ATOM 360 CA ARG A 26 -8.421 -1.617 -5.248 1.00 61.13 C ATOM 361 C ARG A 26 -7.303 -1.018 -4.370 1.00 74.25 C ATOM 362 O ARG A 26 -7.428 -0.944 -3.147 1.00 62.34 O ATOM 363 CB ARG A 26 -9.348 -0.471 -5.745 1.00 60.12 C ATOM 364 CG ARG A 26 -10.455 -0.907 -6.723 1.00 34.51 C ATOM 365 CD ARG A 26 -9.896 -1.418 -8.064 1.00 42.23 C ATOM 366 NE ARG A 26 -10.963 -1.646 -9.054 1.00 32.44 N ATOM 367 CZ ARG A 26 -10.886 -2.456 -10.088 1.00 50.13 C ATOM 368 NH1 ARG A 26 -9.876 -3.257 -10.240 1.00 2.44 N ATOM 369 NH2 ARG A 26 -11.851 -2.492 -10.941 1.00 21.44 N ATOM 0 H ARG A 26 -9.904 -2.186 -3.870 1.00 55.34 H new ATOM 0 HA ARG A 26 -7.980 -2.122 -6.107 1.00 61.13 H new ATOM 0 HB2 ARG A 26 -9.814 0.000 -4.880 1.00 60.12 H new ATOM 0 HB3 ARG A 26 -8.734 0.288 -6.230 1.00 60.12 H new ATOM 0 HG2 ARG A 26 -11.054 -1.692 -6.261 1.00 34.51 H new ATOM 0 HG3 ARG A 26 -11.122 -0.065 -6.909 1.00 34.51 H new ATOM 0 HD2 ARG A 26 -9.183 -0.694 -8.459 1.00 42.23 H new ATOM 0 HD3 ARG A 26 -9.350 -2.347 -7.899 1.00 42.23 H new ATOM 0 HE ARG A 26 -11.835 -1.133 -8.927 1.00 32.44 H new ATOM 0 HH11 ARG A 26 -9.124 -3.266 -9.551 1.00 2.44 H new ATOM 0 HH12 ARG A 26 -9.834 -3.878 -11.048 1.00 2.44 H new ATOM 0 HH21 ARG A 26 -12.668 -1.895 -10.812 1.00 21.44 H new ATOM 0 HH22 ARG A 26 -11.798 -3.118 -11.745 1.00 21.44 H new ATOM 383 N TRP A 27 -6.208 -0.620 -5.018 1.00 30.24 N ATOM 384 CA TRP A 27 -5.104 0.150 -4.400 1.00 23.13 C ATOM 385 C TRP A 27 -4.746 1.330 -5.310 1.00 43.54 C ATOM 386 O TRP A 27 -4.855 1.212 -6.526 1.00 23.25 O ATOM 387 CB TRP A 27 -3.860 -0.746 -4.164 1.00 73.33 C ATOM 388 CG TRP A 27 -3.983 -1.652 -2.967 1.00 65.31 C ATOM 389 CD1 TRP A 27 -4.518 -2.908 -2.922 1.00 11.14 C ATOM 390 CD2 TRP A 27 -3.572 -1.344 -1.633 1.00 12.12 C ATOM 391 NE1 TRP A 27 -4.433 -3.407 -1.648 1.00 51.22 N ATOM 392 CE2 TRP A 27 -3.858 -2.465 -0.840 1.00 22.40 C ATOM 393 CE3 TRP A 27 -2.974 -0.228 -1.038 1.00 72.52 C ATOM 394 CZ2 TRP A 27 -3.576 -2.502 0.516 1.00 14.20 C ATOM 395 CZ3 TRP A 27 -2.692 -0.266 0.313 1.00 34.32 C ATOM 396 CH2 TRP A 27 -2.990 -1.399 1.077 1.00 53.40 C ATOM 0 H TRP A 27 -6.051 -0.822 -6.005 1.00 30.24 H new ATOM 0 HA TRP A 27 -5.432 0.520 -3.429 1.00 23.13 H new ATOM 0 HB2 TRP A 27 -3.688 -1.354 -5.052 1.00 73.33 H new ATOM 0 HB3 TRP A 27 -2.984 -0.110 -4.038 1.00 73.33 H new ATOM 0 HD1 TRP A 27 -4.945 -3.431 -3.765 1.00 11.14 H new ATOM 0 HE1 TRP A 27 -4.747 -4.331 -1.351 1.00 51.22 H new ATOM 0 HE3 TRP A 27 -2.737 0.647 -1.625 1.00 72.52 H new ATOM 0 HZ2 TRP A 27 -3.811 -3.372 1.111 1.00 14.20 H new ATOM 0 HZ3 TRP A 27 -2.235 0.591 0.786 1.00 34.32 H new ATOM 0 HH2 TRP A 27 -2.753 -1.404 2.131 1.00 53.40 H new ATOM 407 N TYR A 28 -4.358 2.477 -4.720 1.00 13.34 N ATOM 408 CA TYR A 28 -3.943 3.683 -5.484 1.00 42.11 C ATOM 409 C TYR A 28 -2.671 4.303 -4.873 1.00 30.30 C ATOM 410 O TYR A 28 -2.647 4.639 -3.700 1.00 21.33 O ATOM 411 CB TYR A 28 -5.082 4.751 -5.501 1.00 45.13 C ATOM 412 CG TYR A 28 -6.392 4.294 -6.171 1.00 50.35 C ATOM 413 CD1 TYR A 28 -6.584 4.440 -7.546 1.00 54.40 C ATOM 414 CD2 TYR A 28 -7.429 3.705 -5.434 1.00 30.11 C ATOM 415 CE1 TYR A 28 -7.747 4.022 -8.158 1.00 22.45 C ATOM 416 CE2 TYR A 28 -8.594 3.287 -6.048 1.00 44.41 C ATOM 417 CZ TYR A 28 -8.747 3.444 -7.407 1.00 61.13 C ATOM 418 OH TYR A 28 -9.906 3.019 -8.019 1.00 1.34 O ATOM 0 H TYR A 28 -4.321 2.600 -3.708 1.00 13.34 H new ATOM 0 HA TYR A 28 -3.734 3.370 -6.507 1.00 42.11 H new ATOM 0 HB2 TYR A 28 -5.300 5.045 -4.474 1.00 45.13 H new ATOM 0 HB3 TYR A 28 -4.719 5.640 -6.017 1.00 45.13 H new ATOM 0 HD1 TYR A 28 -5.805 4.890 -8.143 1.00 54.40 H new ATOM 0 HD2 TYR A 28 -7.315 3.576 -4.368 1.00 30.11 H new ATOM 0 HE1 TYR A 28 -7.874 4.147 -9.223 1.00 22.45 H new ATOM 0 HE2 TYR A 28 -9.383 2.838 -5.463 1.00 44.41 H new ATOM 0 HH TYR A 28 -10.508 2.634 -7.348 1.00 1.34 H new ATOM 428 N LYS A 29 -1.621 4.467 -5.682 1.00 71.35 N ATOM 429 CA LYS A 29 -0.393 5.183 -5.282 1.00 5.23 C ATOM 430 C LYS A 29 -0.131 6.357 -6.246 1.00 22.52 C ATOM 431 O LYS A 29 -0.205 6.186 -7.470 1.00 13.22 O ATOM 432 CB LYS A 29 0.816 4.209 -5.235 1.00 62.23 C ATOM 433 CG LYS A 29 2.197 4.879 -5.020 1.00 32.45 C ATOM 434 CD LYS A 29 2.257 5.750 -3.734 1.00 43.34 C ATOM 435 CE LYS A 29 3.620 6.429 -3.547 1.00 32.54 C ATOM 436 NZ LYS A 29 4.711 5.437 -3.425 1.00 24.34 N ATOM 0 H LYS A 29 -1.592 4.108 -6.636 1.00 71.35 H new ATOM 0 HA LYS A 29 -0.528 5.589 -4.279 1.00 5.23 H new ATOM 0 HB2 LYS A 29 0.651 3.489 -4.433 1.00 62.23 H new ATOM 0 HB3 LYS A 29 0.845 3.646 -6.168 1.00 62.23 H new ATOM 0 HG2 LYS A 29 2.964 4.107 -4.965 1.00 32.45 H new ATOM 0 HG3 LYS A 29 2.431 5.501 -5.884 1.00 32.45 H new ATOM 0 HD2 LYS A 29 1.478 6.512 -3.778 1.00 43.34 H new ATOM 0 HD3 LYS A 29 2.044 5.126 -2.866 1.00 43.34 H new ATOM 0 HE2 LYS A 29 3.819 7.087 -4.393 1.00 32.54 H new ATOM 0 HE3 LYS A 29 3.596 7.055 -2.655 1.00 32.54 H new ATOM 0 HZ1 LYS A 29 5.623 5.931 -3.351 1.00 24.34 H new ATOM 0 HZ2 LYS A 29 4.561 4.858 -2.574 1.00 24.34 H new ATOM 0 HZ3 LYS A 29 4.717 4.823 -4.264 1.00 24.34 H new ATOM 450 N ASP A 30 0.145 7.547 -5.656 1.00 75.25 N ATOM 451 CA ASP A 30 0.455 8.800 -6.389 1.00 70.03 C ATOM 452 C ASP A 30 -0.793 9.339 -7.163 1.00 51.01 C ATOM 453 O ASP A 30 -0.689 10.237 -8.001 1.00 53.01 O ATOM 454 CB ASP A 30 1.707 8.585 -7.304 1.00 53.13 C ATOM 455 CG ASP A 30 2.302 9.879 -7.877 1.00 44.14 C ATOM 456 OD1 ASP A 30 3.008 10.601 -7.135 1.00 42.41 O ATOM 457 OD2 ASP A 30 2.072 10.183 -9.068 1.00 63.00 O ATOM 0 H ASP A 30 0.159 7.665 -4.643 1.00 75.25 H new ATOM 0 HA ASP A 30 0.709 9.580 -5.672 1.00 70.03 H new ATOM 0 HB2 ASP A 30 2.477 8.068 -6.731 1.00 53.13 H new ATOM 0 HB3 ASP A 30 1.430 7.930 -8.130 1.00 53.13 H new ATOM 462 N GLY A 31 -1.989 8.829 -6.797 1.00 41.32 N ATOM 463 CA GLY A 31 -3.236 9.151 -7.501 1.00 45.10 C ATOM 464 C GLY A 31 -3.523 8.231 -8.694 1.00 65.33 C ATOM 465 O GLY A 31 -4.367 8.548 -9.538 1.00 74.12 O ATOM 0 H GLY A 31 -2.110 8.189 -6.012 1.00 41.32 H new ATOM 0 HA2 GLY A 31 -4.067 9.090 -6.798 1.00 45.10 H new ATOM 0 HA3 GLY A 31 -3.190 10.182 -7.851 1.00 45.10 H new ATOM 469 N GLU A 32 -2.824 7.082 -8.754 1.00 42.34 N ATOM 470 CA GLU A 32 -2.978 6.086 -9.838 1.00 24.32 C ATOM 471 C GLU A 32 -3.024 4.662 -9.261 1.00 54.14 C ATOM 472 O GLU A 32 -2.214 4.316 -8.411 1.00 3.45 O ATOM 473 CB GLU A 32 -1.812 6.206 -10.853 1.00 11.33 C ATOM 474 CG GLU A 32 -1.873 5.192 -12.020 1.00 51.32 C ATOM 475 CD GLU A 32 -0.771 5.391 -13.068 1.00 5.34 C ATOM 476 OE1 GLU A 32 0.415 5.165 -12.743 1.00 1.11 O ATOM 477 OE2 GLU A 32 -1.082 5.775 -14.218 1.00 61.13 O ATOM 0 H GLU A 32 -2.134 6.815 -8.052 1.00 42.34 H new ATOM 0 HA GLU A 32 -3.917 6.286 -10.353 1.00 24.32 H new ATOM 0 HB2 GLU A 32 -1.807 7.215 -11.265 1.00 11.33 H new ATOM 0 HB3 GLU A 32 -0.869 6.074 -10.322 1.00 11.33 H new ATOM 0 HG2 GLU A 32 -1.800 4.182 -11.616 1.00 51.32 H new ATOM 0 HG3 GLU A 32 -2.845 5.271 -12.508 1.00 51.32 H new ATOM 484 N ARG A 33 -3.959 3.846 -9.767 1.00 52.31 N ATOM 485 CA ARG A 33 -4.186 2.462 -9.298 1.00 31.34 C ATOM 486 C ARG A 33 -2.927 1.557 -9.433 1.00 24.05 C ATOM 487 O ARG A 33 -2.135 1.701 -10.373 1.00 52.34 O ATOM 488 CB ARG A 33 -5.400 1.811 -10.043 1.00 21.02 C ATOM 489 CG ARG A 33 -5.125 1.361 -11.503 1.00 14.12 C ATOM 490 CD ARG A 33 -4.910 2.532 -12.480 1.00 44.35 C ATOM 491 NE ARG A 33 -4.422 2.081 -13.791 1.00 53.03 N ATOM 492 CZ ARG A 33 -3.905 2.857 -14.718 1.00 20.44 C ATOM 493 NH1 ARG A 33 -3.841 4.142 -14.572 1.00 14.43 N ATOM 494 NH2 ARG A 33 -3.473 2.331 -15.806 1.00 54.42 N ATOM 0 H ARG A 33 -4.587 4.126 -10.520 1.00 52.31 H new ATOM 0 HA ARG A 33 -4.412 2.536 -8.234 1.00 31.34 H new ATOM 0 HB2 ARG A 33 -5.733 0.945 -9.471 1.00 21.02 H new ATOM 0 HB3 ARG A 33 -6.224 2.524 -10.050 1.00 21.02 H new ATOM 0 HG2 ARG A 33 -4.243 0.721 -11.517 1.00 14.12 H new ATOM 0 HG3 ARG A 33 -5.963 0.757 -11.852 1.00 14.12 H new ATOM 0 HD2 ARG A 33 -5.848 3.071 -12.610 1.00 44.35 H new ATOM 0 HD3 ARG A 33 -4.196 3.234 -12.051 1.00 44.35 H new ATOM 0 HE ARG A 33 -4.490 1.085 -13.999 1.00 53.03 H new ATOM 0 HH11 ARG A 33 -4.197 4.577 -13.721 1.00 14.43 H new ATOM 0 HH12 ARG A 33 -3.434 4.719 -15.308 1.00 14.43 H new ATOM 0 HH21 ARG A 33 -3.533 1.322 -15.944 1.00 54.42 H new ATOM 0 HH22 ARG A 33 -3.070 2.922 -16.533 1.00 54.42 H new ATOM 508 N LEU A 34 -2.765 0.637 -8.473 1.00 73.22 N ATOM 509 CA LEU A 34 -1.704 -0.382 -8.496 1.00 45.05 C ATOM 510 C LEU A 34 -2.189 -1.648 -9.233 1.00 1.52 C ATOM 511 O LEU A 34 -3.323 -2.097 -9.030 1.00 54.24 O ATOM 512 CB LEU A 34 -1.266 -0.737 -7.047 1.00 14.12 C ATOM 513 CG LEU A 34 -0.548 0.402 -6.244 1.00 1.24 C ATOM 514 CD1 LEU A 34 -0.054 -0.087 -4.883 1.00 61.24 C ATOM 515 CD2 LEU A 34 0.605 1.027 -7.066 1.00 64.43 C ATOM 0 H LEU A 34 -3.369 0.577 -7.653 1.00 73.22 H new ATOM 0 HA LEU A 34 -0.845 0.024 -9.031 1.00 45.05 H new ATOM 0 HB2 LEU A 34 -2.149 -1.046 -6.488 1.00 14.12 H new ATOM 0 HB3 LEU A 34 -0.599 -1.598 -7.092 1.00 14.12 H new ATOM 0 HG LEU A 34 -1.288 1.181 -6.059 1.00 1.24 H new ATOM 0 HD11 LEU A 34 0.438 0.732 -4.358 1.00 61.24 H new ATOM 0 HD12 LEU A 34 -0.901 -0.439 -4.294 1.00 61.24 H new ATOM 0 HD13 LEU A 34 0.654 -0.904 -5.025 1.00 61.24 H new ATOM 0 HD21 LEU A 34 1.083 1.814 -6.482 1.00 64.43 H new ATOM 0 HD22 LEU A 34 1.338 0.258 -7.308 1.00 64.43 H new ATOM 0 HD23 LEU A 34 0.207 1.451 -7.988 1.00 64.43 H new ATOM 527 N ALA A 35 -1.329 -2.191 -10.108 1.00 74.25 N ATOM 528 CA ALA A 35 -1.564 -3.475 -10.803 1.00 0.55 C ATOM 529 C ALA A 35 -0.716 -4.594 -10.160 1.00 5.25 C ATOM 530 O ALA A 35 0.278 -4.311 -9.484 1.00 52.11 O ATOM 531 CB ALA A 35 -1.238 -3.327 -12.301 1.00 22.45 C ATOM 0 H ALA A 35 -0.443 -1.752 -10.358 1.00 74.25 H new ATOM 0 HA ALA A 35 -2.614 -3.749 -10.704 1.00 0.55 H new ATOM 0 HB1 ALA A 35 -1.413 -4.276 -12.807 1.00 22.45 H new ATOM 0 HB2 ALA A 35 -1.877 -2.559 -12.738 1.00 22.45 H new ATOM 0 HB3 ALA A 35 -0.193 -3.040 -12.419 1.00 22.45 H new ATOM 537 N SER A 36 -1.122 -5.861 -10.369 1.00 2.32 N ATOM 538 CA SER A 36 -0.382 -7.038 -9.858 1.00 63.02 C ATOM 539 C SER A 36 0.958 -7.203 -10.624 1.00 54.13 C ATOM 540 O SER A 36 1.025 -7.825 -11.688 1.00 34.44 O ATOM 541 CB SER A 36 -1.263 -8.313 -9.948 1.00 13.42 C ATOM 542 OG SER A 36 -1.761 -8.523 -11.261 1.00 45.33 O ATOM 0 H SER A 36 -1.965 -6.100 -10.892 1.00 2.32 H new ATOM 0 HA SER A 36 -0.143 -6.882 -8.806 1.00 63.02 H new ATOM 0 HB2 SER A 36 -0.679 -9.180 -9.639 1.00 13.42 H new ATOM 0 HB3 SER A 36 -2.098 -8.227 -9.253 1.00 13.42 H new ATOM 0 HG SER A 36 -1.020 -8.485 -11.902 1.00 45.33 H new ATOM 548 N GLN A 37 2.003 -6.559 -10.086 1.00 35.13 N ATOM 549 CA GLN A 37 3.361 -6.522 -10.680 1.00 73.45 C ATOM 550 C GLN A 37 4.382 -7.295 -9.793 1.00 55.04 C ATOM 551 O GLN A 37 4.082 -7.633 -8.643 1.00 43.43 O ATOM 552 CB GLN A 37 3.770 -5.025 -10.839 1.00 63.44 C ATOM 553 CG GLN A 37 5.117 -4.761 -11.536 1.00 32.44 C ATOM 554 CD GLN A 37 5.473 -3.279 -11.600 1.00 42.42 C ATOM 555 OE1 GLN A 37 6.109 -2.742 -10.700 1.00 41.33 O ATOM 556 NE2 GLN A 37 5.062 -2.608 -12.655 1.00 2.13 N ATOM 0 H GLN A 37 1.935 -6.038 -9.212 1.00 35.13 H new ATOM 0 HA GLN A 37 3.359 -7.013 -11.653 1.00 73.45 H new ATOM 0 HB2 GLN A 37 2.988 -4.513 -11.400 1.00 63.44 H new ATOM 0 HB3 GLN A 37 3.801 -4.571 -9.849 1.00 63.44 H new ATOM 0 HG2 GLN A 37 5.905 -5.296 -11.006 1.00 32.44 H new ATOM 0 HG3 GLN A 37 5.082 -5.165 -12.548 1.00 32.44 H new ATOM 0 HE21 GLN A 37 4.535 -3.083 -13.388 1.00 2.13 H new ATOM 0 HE22 GLN A 37 5.271 -1.613 -12.740 1.00 2.13 H new ATOM 565 N GLY A 38 5.579 -7.589 -10.350 1.00 72.42 N ATOM 566 CA GLY A 38 6.689 -8.181 -9.583 1.00 23.43 C ATOM 567 C GLY A 38 7.147 -7.322 -8.389 1.00 64.43 C ATOM 568 O GLY A 38 7.433 -7.852 -7.305 1.00 3.24 O ATOM 0 H GLY A 38 5.797 -7.423 -11.333 1.00 72.42 H new ATOM 0 HA2 GLY A 38 6.383 -9.161 -9.217 1.00 23.43 H new ATOM 0 HA3 GLY A 38 7.536 -8.340 -10.251 1.00 23.43 H new ATOM 572 N ARG A 39 7.241 -5.989 -8.601 1.00 62.43 N ATOM 573 CA ARG A 39 7.504 -5.018 -7.505 1.00 54.32 C ATOM 574 C ARG A 39 6.233 -4.756 -6.666 1.00 72.53 C ATOM 575 O ARG A 39 6.323 -4.597 -5.459 1.00 35.51 O ATOM 576 CB ARG A 39 8.074 -3.663 -8.041 1.00 65.34 C ATOM 577 CG ARG A 39 9.606 -3.631 -8.278 1.00 31.34 C ATOM 578 CD ARG A 39 10.082 -4.567 -9.397 1.00 63.22 C ATOM 579 NE ARG A 39 11.547 -4.531 -9.549 1.00 21.14 N ATOM 580 CZ ARG A 39 12.205 -4.348 -10.671 1.00 75.41 C ATOM 581 NH1 ARG A 39 11.592 -4.137 -11.790 1.00 24.34 N ATOM 582 NH2 ARG A 39 13.488 -4.361 -10.655 1.00 62.22 N ATOM 0 H ARG A 39 7.139 -5.558 -9.520 1.00 62.43 H new ATOM 0 HA ARG A 39 8.260 -5.474 -6.866 1.00 54.32 H new ATOM 0 HB2 ARG A 39 7.574 -3.424 -8.979 1.00 65.34 H new ATOM 0 HB3 ARG A 39 7.817 -2.875 -7.333 1.00 65.34 H new ATOM 0 HG2 ARG A 39 9.905 -2.611 -8.519 1.00 31.34 H new ATOM 0 HG3 ARG A 39 10.113 -3.901 -7.352 1.00 31.34 H new ATOM 0 HD2 ARG A 39 9.763 -5.586 -9.179 1.00 63.22 H new ATOM 0 HD3 ARG A 39 9.611 -4.280 -10.337 1.00 63.22 H new ATOM 0 HE ARG A 39 12.103 -4.660 -8.703 1.00 21.14 H new ATOM 0 HH11 ARG A 39 10.573 -4.110 -11.816 1.00 24.34 H new ATOM 0 HH12 ARG A 39 12.128 -3.998 -12.647 1.00 24.34 H new ATOM 0 HH21 ARG A 39 13.986 -4.512 -9.778 1.00 62.22 H new ATOM 0 HH22 ARG A 39 14.010 -4.220 -11.520 1.00 62.22 H new ATOM 596 N VAL A 40 5.059 -4.700 -7.326 1.00 21.24 N ATOM 597 CA VAL A 40 3.767 -4.367 -6.670 1.00 44.13 C ATOM 598 C VAL A 40 2.920 -5.653 -6.437 1.00 0.24 C ATOM 599 O VAL A 40 2.047 -6.009 -7.238 1.00 3.00 O ATOM 600 CB VAL A 40 2.969 -3.308 -7.524 1.00 41.22 C ATOM 601 CG1 VAL A 40 1.645 -2.904 -6.838 1.00 32.13 C ATOM 602 CG2 VAL A 40 3.844 -2.064 -7.834 1.00 43.52 C ATOM 0 H VAL A 40 4.974 -4.883 -8.326 1.00 21.24 H new ATOM 0 HA VAL A 40 3.978 -3.925 -5.696 1.00 44.13 H new ATOM 0 HB VAL A 40 2.712 -3.780 -8.472 1.00 41.22 H new ATOM 0 HG11 VAL A 40 1.123 -2.173 -7.456 1.00 32.13 H new ATOM 0 HG12 VAL A 40 1.017 -3.786 -6.711 1.00 32.13 H new ATOM 0 HG13 VAL A 40 1.859 -2.467 -5.862 1.00 32.13 H new ATOM 0 HG21 VAL A 40 3.267 -1.351 -8.424 1.00 43.52 H new ATOM 0 HG22 VAL A 40 4.154 -1.595 -6.900 1.00 43.52 H new ATOM 0 HG23 VAL A 40 4.726 -2.371 -8.396 1.00 43.52 H new ATOM 612 N GLN A 41 3.224 -6.365 -5.345 1.00 15.43 N ATOM 613 CA GLN A 41 2.576 -7.651 -5.000 1.00 2.34 C ATOM 614 C GLN A 41 1.215 -7.426 -4.291 1.00 3.24 C ATOM 615 O GLN A 41 1.171 -7.045 -3.119 1.00 0.14 O ATOM 616 CB GLN A 41 3.534 -8.480 -4.106 1.00 35.31 C ATOM 617 CG GLN A 41 4.912 -8.761 -4.747 1.00 3.43 C ATOM 618 CD GLN A 41 5.867 -9.543 -3.843 1.00 24.44 C ATOM 619 OE1 GLN A 41 5.451 -10.341 -3.006 1.00 12.45 O ATOM 620 NE2 GLN A 41 7.159 -9.338 -4.016 1.00 64.22 N ATOM 0 H GLN A 41 3.928 -6.070 -4.669 1.00 15.43 H new ATOM 0 HA GLN A 41 2.372 -8.201 -5.919 1.00 2.34 H new ATOM 0 HB2 GLN A 41 3.684 -7.951 -3.165 1.00 35.31 H new ATOM 0 HB3 GLN A 41 3.057 -9.430 -3.865 1.00 35.31 H new ATOM 0 HG2 GLN A 41 4.765 -9.318 -5.672 1.00 3.43 H new ATOM 0 HG3 GLN A 41 5.377 -7.813 -5.017 1.00 3.43 H new ATOM 0 HE21 GLN A 41 7.480 -8.670 -4.717 1.00 64.22 H new ATOM 0 HE22 GLN A 41 7.837 -9.847 -3.449 1.00 64.22 H new ATOM 629 N LEU A 42 0.107 -7.645 -5.030 1.00 65.11 N ATOM 630 CA LEU A 42 -1.271 -7.456 -4.517 1.00 52.25 C ATOM 631 C LEU A 42 -1.923 -8.790 -4.069 1.00 53.54 C ATOM 632 O LEU A 42 -2.190 -9.671 -4.894 1.00 21.24 O ATOM 633 CB LEU A 42 -2.153 -6.770 -5.602 1.00 44.31 C ATOM 634 CG LEU A 42 -1.789 -5.287 -5.936 1.00 61.12 C ATOM 635 CD1 LEU A 42 -2.717 -4.711 -7.020 1.00 64.21 C ATOM 636 CD2 LEU A 42 -1.824 -4.413 -4.666 1.00 55.44 C ATOM 0 H LEU A 42 0.140 -7.958 -6.000 1.00 65.11 H new ATOM 0 HA LEU A 42 -1.204 -6.817 -3.637 1.00 52.25 H new ATOM 0 HB2 LEU A 42 -2.089 -7.356 -6.519 1.00 44.31 H new ATOM 0 HB3 LEU A 42 -3.192 -6.804 -5.274 1.00 44.31 H new ATOM 0 HG LEU A 42 -0.773 -5.278 -6.330 1.00 61.12 H new ATOM 0 HD11 LEU A 42 -2.436 -3.679 -7.228 1.00 64.21 H new ATOM 0 HD12 LEU A 42 -2.624 -5.303 -7.931 1.00 64.21 H new ATOM 0 HD13 LEU A 42 -3.749 -4.743 -6.670 1.00 64.21 H new ATOM 0 HD21 LEU A 42 -1.567 -3.386 -4.924 1.00 55.44 H new ATOM 0 HD22 LEU A 42 -2.824 -4.439 -4.234 1.00 55.44 H new ATOM 0 HD23 LEU A 42 -1.105 -4.795 -3.941 1.00 55.44 H new ATOM 648 N GLU A 43 -2.172 -8.914 -2.754 1.00 42.40 N ATOM 649 CA GLU A 43 -2.971 -10.013 -2.174 1.00 30.14 C ATOM 650 C GLU A 43 -4.459 -9.589 -2.079 1.00 21.42 C ATOM 651 O GLU A 43 -4.771 -8.488 -1.600 1.00 64.35 O ATOM 652 CB GLU A 43 -2.451 -10.391 -0.759 1.00 0.13 C ATOM 653 CG GLU A 43 -3.200 -11.569 -0.102 1.00 64.32 C ATOM 654 CD GLU A 43 -2.715 -11.880 1.321 1.00 20.42 C ATOM 655 OE1 GLU A 43 -1.605 -12.442 1.468 1.00 74.45 O ATOM 656 OE2 GLU A 43 -3.439 -11.580 2.293 1.00 4.22 O ATOM 0 H GLU A 43 -1.824 -8.253 -2.059 1.00 42.40 H new ATOM 0 HA GLU A 43 -2.876 -10.883 -2.824 1.00 30.14 H new ATOM 0 HB2 GLU A 43 -1.393 -10.642 -0.829 1.00 0.13 H new ATOM 0 HB3 GLU A 43 -2.530 -9.518 -0.111 1.00 0.13 H new ATOM 0 HG2 GLU A 43 -4.266 -11.342 -0.074 1.00 64.32 H new ATOM 0 HG3 GLU A 43 -3.080 -12.458 -0.722 1.00 64.32 H new ATOM 663 N GLN A 44 -5.363 -10.473 -2.535 1.00 23.13 N ATOM 664 CA GLN A 44 -6.822 -10.268 -2.457 1.00 4.55 C ATOM 665 C GLN A 44 -7.496 -11.465 -1.739 1.00 32.53 C ATOM 666 O GLN A 44 -7.549 -12.579 -2.271 1.00 75.32 O ATOM 667 CB GLN A 44 -7.414 -10.008 -3.879 1.00 70.35 C ATOM 668 CG GLN A 44 -7.021 -11.037 -4.961 1.00 75.44 C ATOM 669 CD GLN A 44 -7.610 -10.706 -6.335 1.00 0.22 C ATOM 670 OE1 GLN A 44 -8.706 -11.136 -6.673 1.00 23.40 O ATOM 671 NE2 GLN A 44 -6.897 -9.934 -7.134 1.00 41.30 N ATOM 0 H GLN A 44 -5.101 -11.357 -2.972 1.00 23.13 H new ATOM 0 HA GLN A 44 -7.031 -9.380 -1.861 1.00 4.55 H new ATOM 0 HB2 GLN A 44 -8.501 -9.985 -3.802 1.00 70.35 H new ATOM 0 HB3 GLN A 44 -7.097 -9.019 -4.210 1.00 70.35 H new ATOM 0 HG2 GLN A 44 -5.935 -11.081 -5.037 1.00 75.44 H new ATOM 0 HG3 GLN A 44 -7.359 -12.027 -4.655 1.00 75.44 H new ATOM 0 HE21 GLN A 44 -5.987 -9.588 -6.830 1.00 41.30 H new ATOM 0 HE22 GLN A 44 -7.256 -9.683 -8.055 1.00 41.30 H new ATOM 680 N ALA A 45 -7.985 -11.222 -0.507 1.00 24.03 N ATOM 681 CA ALA A 45 -8.546 -12.275 0.375 1.00 33.24 C ATOM 682 C ALA A 45 -9.668 -11.726 1.289 1.00 24.43 C ATOM 683 O ALA A 45 -9.981 -10.538 1.265 1.00 73.24 O ATOM 684 CB ALA A 45 -7.408 -12.879 1.215 1.00 63.24 C ATOM 0 H ALA A 45 -8.004 -10.291 -0.091 1.00 24.03 H new ATOM 0 HA ALA A 45 -8.998 -13.047 -0.248 1.00 33.24 H new ATOM 0 HB1 ALA A 45 -7.809 -13.655 1.867 1.00 63.24 H new ATOM 0 HB2 ALA A 45 -6.658 -13.313 0.553 1.00 63.24 H new ATOM 0 HB3 ALA A 45 -6.948 -12.098 1.820 1.00 63.24 H new ATOM 690 N GLY A 46 -10.276 -12.618 2.087 1.00 71.55 N ATOM 691 CA GLY A 46 -11.293 -12.222 3.068 1.00 3.14 C ATOM 692 C GLY A 46 -10.711 -11.408 4.231 1.00 70.34 C ATOM 693 O GLY A 46 -9.912 -11.942 5.004 1.00 14.11 O ATOM 0 H GLY A 46 -10.079 -13.619 2.070 1.00 71.55 H new ATOM 0 HA2 GLY A 46 -12.064 -11.634 2.569 1.00 3.14 H new ATOM 0 HA3 GLY A 46 -11.778 -13.115 3.462 1.00 3.14 H new ATOM 697 N ALA A 47 -11.101 -10.111 4.314 1.00 22.24 N ATOM 698 CA ALA A 47 -10.677 -9.138 5.370 1.00 63.52 C ATOM 699 C ALA A 47 -9.202 -8.654 5.217 1.00 2.22 C ATOM 700 O ALA A 47 -8.950 -7.440 5.138 1.00 32.32 O ATOM 701 CB ALA A 47 -10.948 -9.666 6.801 1.00 45.04 C ATOM 0 H ALA A 47 -11.736 -9.695 3.633 1.00 22.24 H new ATOM 0 HA ALA A 47 -11.305 -8.261 5.215 1.00 63.52 H new ATOM 0 HB1 ALA A 47 -10.623 -8.924 7.530 1.00 45.04 H new ATOM 0 HB2 ALA A 47 -12.015 -9.853 6.924 1.00 45.04 H new ATOM 0 HB3 ALA A 47 -10.397 -10.593 6.957 1.00 45.04 H new ATOM 707 N ARG A 48 -8.229 -9.597 5.199 1.00 30.20 N ATOM 708 CA ARG A 48 -6.793 -9.256 5.086 1.00 41.22 C ATOM 709 C ARG A 48 -6.361 -9.027 3.619 1.00 51.43 C ATOM 710 O ARG A 48 -6.349 -9.962 2.811 1.00 62.43 O ATOM 711 CB ARG A 48 -5.880 -10.343 5.722 1.00 4.13 C ATOM 712 CG ARG A 48 -4.396 -9.894 5.852 1.00 52.24 C ATOM 713 CD ARG A 48 -3.449 -11.016 6.316 1.00 1.25 C ATOM 714 NE ARG A 48 -3.141 -11.965 5.230 1.00 3.53 N ATOM 715 CZ ARG A 48 -2.272 -12.949 5.299 1.00 0.01 C ATOM 716 NH1 ARG A 48 -1.693 -13.266 6.413 1.00 71.10 N ATOM 717 NH2 ARG A 48 -2.005 -13.631 4.235 1.00 53.23 N ATOM 0 H ARG A 48 -8.414 -10.598 5.261 1.00 30.20 H new ATOM 0 HA ARG A 48 -6.669 -8.325 5.639 1.00 41.22 H new ATOM 0 HB2 ARG A 48 -6.264 -10.599 6.710 1.00 4.13 H new ATOM 0 HB3 ARG A 48 -5.928 -11.248 5.117 1.00 4.13 H new ATOM 0 HG2 ARG A 48 -4.054 -9.517 4.888 1.00 52.24 H new ATOM 0 HG3 ARG A 48 -4.337 -9.065 6.558 1.00 52.24 H new ATOM 0 HD2 ARG A 48 -2.523 -10.578 6.688 1.00 1.25 H new ATOM 0 HD3 ARG A 48 -3.904 -11.553 7.148 1.00 1.25 H new ATOM 0 HE ARG A 48 -3.645 -11.848 4.351 1.00 3.53 H new ATOM 0 HH11 ARG A 48 -1.908 -12.748 7.265 1.00 71.10 H new ATOM 0 HH12 ARG A 48 -1.022 -14.034 6.439 1.00 71.10 H new ATOM 0 HH21 ARG A 48 -2.467 -13.404 3.354 1.00 53.23 H new ATOM 0 HH22 ARG A 48 -1.333 -14.397 4.276 1.00 53.23 H new ATOM 731 N GLN A 49 -6.027 -7.769 3.295 1.00 43.22 N ATOM 732 CA GLN A 49 -5.328 -7.402 2.043 1.00 1.02 C ATOM 733 C GLN A 49 -3.840 -7.152 2.351 1.00 14.31 C ATOM 734 O GLN A 49 -3.507 -6.710 3.453 1.00 1.43 O ATOM 735 CB GLN A 49 -5.964 -6.130 1.411 1.00 32.14 C ATOM 736 CG GLN A 49 -7.478 -6.232 1.120 1.00 24.11 C ATOM 737 CD GLN A 49 -7.866 -7.499 0.356 1.00 24.21 C ATOM 738 OE1 GLN A 49 -8.232 -8.504 0.936 1.00 25.40 O ATOM 739 NE2 GLN A 49 -7.740 -7.484 -0.949 1.00 12.21 N ATOM 0 H GLN A 49 -6.233 -6.969 3.894 1.00 43.22 H new ATOM 0 HA GLN A 49 -5.423 -8.219 1.328 1.00 1.02 H new ATOM 0 HB2 GLN A 49 -5.794 -5.287 2.080 1.00 32.14 H new ATOM 0 HB3 GLN A 49 -5.444 -5.907 0.479 1.00 32.14 H new ATOM 0 HG2 GLN A 49 -8.024 -6.204 2.063 1.00 24.11 H new ATOM 0 HG3 GLN A 49 -7.789 -5.360 0.545 1.00 24.11 H new ATOM 0 HE21 GLN A 49 -7.432 -6.634 -1.422 1.00 12.21 H new ATOM 0 HE22 GLN A 49 -7.950 -8.322 -1.491 1.00 12.21 H new ATOM 748 N VAL A 50 -2.929 -7.463 1.405 1.00 71.13 N ATOM 749 CA VAL A 50 -1.483 -7.158 1.576 1.00 73.24 C ATOM 750 C VAL A 50 -0.870 -6.604 0.257 1.00 71.24 C ATOM 751 O VAL A 50 -0.740 -7.329 -0.727 1.00 21.32 O ATOM 752 CB VAL A 50 -0.641 -8.411 2.074 1.00 55.32 C ATOM 753 CG1 VAL A 50 0.851 -8.037 2.269 1.00 72.20 C ATOM 754 CG2 VAL A 50 -1.210 -9.030 3.383 1.00 42.25 C ATOM 0 H VAL A 50 -3.160 -7.920 0.523 1.00 71.13 H new ATOM 0 HA VAL A 50 -1.425 -6.395 2.353 1.00 73.24 H new ATOM 0 HB VAL A 50 -0.721 -9.166 1.292 1.00 55.32 H new ATOM 0 HG11 VAL A 50 1.404 -8.912 2.610 1.00 72.20 H new ATOM 0 HG12 VAL A 50 1.266 -7.692 1.322 1.00 72.20 H new ATOM 0 HG13 VAL A 50 0.933 -7.244 3.012 1.00 72.20 H new ATOM 0 HG21 VAL A 50 -0.598 -9.882 3.679 1.00 42.25 H new ATOM 0 HG22 VAL A 50 -1.197 -8.281 4.175 1.00 42.25 H new ATOM 0 HG23 VAL A 50 -2.235 -9.361 3.214 1.00 42.25 H new ATOM 764 N LEU A 51 -0.516 -5.303 0.254 1.00 74.24 N ATOM 765 CA LEU A 51 0.279 -4.669 -0.832 1.00 11.42 C ATOM 766 C LEU A 51 1.767 -4.664 -0.417 1.00 32.21 C ATOM 767 O LEU A 51 2.113 -4.133 0.633 1.00 31.30 O ATOM 768 CB LEU A 51 -0.276 -3.227 -1.128 1.00 63.11 C ATOM 769 CG LEU A 51 0.534 -2.241 -2.072 1.00 52.01 C ATOM 770 CD1 LEU A 51 1.621 -1.453 -1.309 1.00 53.42 C ATOM 771 CD2 LEU A 51 1.143 -2.961 -3.295 1.00 22.20 C ATOM 0 H LEU A 51 -0.770 -4.657 1.002 1.00 74.24 H new ATOM 0 HA LEU A 51 0.192 -5.234 -1.760 1.00 11.42 H new ATOM 0 HB2 LEU A 51 -1.270 -3.345 -1.560 1.00 63.11 H new ATOM 0 HB3 LEU A 51 -0.403 -2.726 -0.169 1.00 63.11 H new ATOM 0 HG LEU A 51 -0.198 -1.523 -2.442 1.00 52.01 H new ATOM 0 HD11 LEU A 51 2.145 -0.794 -2.001 1.00 53.42 H new ATOM 0 HD12 LEU A 51 1.155 -0.858 -0.523 1.00 53.42 H new ATOM 0 HD13 LEU A 51 2.331 -2.150 -0.864 1.00 53.42 H new ATOM 0 HD21 LEU A 51 1.686 -2.241 -3.908 1.00 22.20 H new ATOM 0 HD22 LEU A 51 1.827 -3.739 -2.956 1.00 22.20 H new ATOM 0 HD23 LEU A 51 0.346 -3.412 -3.886 1.00 22.20 H new ATOM 783 N ARG A 52 2.644 -5.257 -1.253 1.00 23.21 N ATOM 784 CA ARG A 52 4.101 -5.301 -0.991 1.00 3.11 C ATOM 785 C ARG A 52 4.897 -4.645 -2.133 1.00 71.10 C ATOM 786 O ARG A 52 4.976 -5.199 -3.224 1.00 61.43 O ATOM 787 CB ARG A 52 4.583 -6.758 -0.765 1.00 44.15 C ATOM 788 CG ARG A 52 3.838 -7.484 0.372 1.00 24.24 C ATOM 789 CD ARG A 52 4.591 -8.693 0.933 1.00 3.41 C ATOM 790 NE ARG A 52 4.752 -9.795 -0.018 1.00 75.40 N ATOM 791 CZ ARG A 52 5.137 -11.008 0.318 1.00 21.41 C ATOM 792 NH1 ARG A 52 5.374 -11.326 1.560 1.00 52.23 N ATOM 793 NH2 ARG A 52 5.268 -11.902 -0.595 1.00 53.30 N ATOM 0 H ARG A 52 2.368 -5.715 -2.121 1.00 23.21 H new ATOM 0 HA ARG A 52 4.285 -4.732 -0.080 1.00 3.11 H new ATOM 0 HB2 ARG A 52 4.456 -7.322 -1.689 1.00 44.15 H new ATOM 0 HB3 ARG A 52 5.650 -6.749 -0.541 1.00 44.15 H new ATOM 0 HG2 ARG A 52 3.651 -6.777 1.181 1.00 24.24 H new ATOM 0 HG3 ARG A 52 2.866 -7.812 0.005 1.00 24.24 H new ATOM 0 HD2 ARG A 52 5.577 -8.370 1.267 1.00 3.41 H new ATOM 0 HD3 ARG A 52 4.061 -9.061 1.812 1.00 3.41 H new ATOM 0 HE ARG A 52 4.554 -9.611 -1.001 1.00 75.40 H new ATOM 0 HH11 ARG A 52 5.262 -10.628 2.295 1.00 52.23 H new ATOM 0 HH12 ARG A 52 5.671 -12.273 1.796 1.00 52.23 H new ATOM 0 HH21 ARG A 52 5.074 -11.669 -1.569 1.00 53.30 H new ATOM 0 HH22 ARG A 52 5.566 -12.845 -0.346 1.00 53.30 H new ATOM 807 N VAL A 53 5.473 -3.453 -1.866 1.00 14.50 N ATOM 808 CA VAL A 53 6.375 -2.757 -2.809 1.00 71.32 C ATOM 809 C VAL A 53 7.848 -3.160 -2.539 1.00 72.33 C ATOM 810 O VAL A 53 8.360 -2.975 -1.427 1.00 42.51 O ATOM 811 CB VAL A 53 6.231 -1.189 -2.715 1.00 22.13 C ATOM 812 CG1 VAL A 53 7.166 -0.468 -3.725 1.00 74.25 C ATOM 813 CG2 VAL A 53 4.761 -0.751 -2.917 1.00 70.41 C ATOM 0 H VAL A 53 5.326 -2.947 -0.993 1.00 14.50 H new ATOM 0 HA VAL A 53 6.088 -3.061 -3.815 1.00 71.32 H new ATOM 0 HB VAL A 53 6.538 -0.894 -1.712 1.00 22.13 H new ATOM 0 HG11 VAL A 53 7.040 0.611 -3.632 1.00 74.25 H new ATOM 0 HG12 VAL A 53 8.202 -0.732 -3.514 1.00 74.25 H new ATOM 0 HG13 VAL A 53 6.913 -0.777 -4.739 1.00 74.25 H new ATOM 0 HG21 VAL A 53 4.692 0.335 -2.847 1.00 70.41 H new ATOM 0 HG22 VAL A 53 4.417 -1.074 -3.900 1.00 70.41 H new ATOM 0 HG23 VAL A 53 4.137 -1.205 -2.147 1.00 70.41 H new ATOM 823 N GLN A 54 8.505 -3.730 -3.564 1.00 23.41 N ATOM 824 CA GLN A 54 9.948 -4.048 -3.531 1.00 34.54 C ATOM 825 C GLN A 54 10.778 -2.748 -3.699 1.00 14.22 C ATOM 826 O GLN A 54 10.609 -2.028 -4.694 1.00 0.32 O ATOM 827 CB GLN A 54 10.294 -5.054 -4.668 1.00 45.02 C ATOM 828 CG GLN A 54 11.778 -5.488 -4.730 1.00 10.31 C ATOM 829 CD GLN A 54 12.124 -6.293 -5.989 1.00 35.53 C ATOM 830 OE1 GLN A 54 12.518 -5.737 -7.009 1.00 13.10 O ATOM 831 NE2 GLN A 54 11.960 -7.600 -5.942 1.00 3.52 N ATOM 0 H GLN A 54 8.052 -3.985 -4.442 1.00 23.41 H new ATOM 0 HA GLN A 54 10.192 -4.502 -2.571 1.00 34.54 H new ATOM 0 HB2 GLN A 54 9.676 -5.944 -4.546 1.00 45.02 H new ATOM 0 HB3 GLN A 54 10.022 -4.606 -5.624 1.00 45.02 H new ATOM 0 HG2 GLN A 54 12.410 -4.601 -4.689 1.00 10.31 H new ATOM 0 HG3 GLN A 54 12.011 -6.086 -3.849 1.00 10.31 H new ATOM 0 HE21 GLN A 54 11.631 -8.042 -5.084 1.00 3.52 H new ATOM 0 HE22 GLN A 54 12.162 -8.169 -6.764 1.00 3.52 H new ATOM 840 N GLY A 55 11.656 -2.452 -2.722 1.00 43.42 N ATOM 841 CA GLY A 55 12.537 -1.273 -2.776 1.00 22.03 C ATOM 842 C GLY A 55 12.488 -0.451 -1.488 1.00 32.01 C ATOM 843 O GLY A 55 13.399 -0.546 -0.656 1.00 41.34 O ATOM 0 H GLY A 55 11.773 -3.018 -1.882 1.00 43.42 H new ATOM 0 HA2 GLY A 55 13.562 -1.596 -2.959 1.00 22.03 H new ATOM 0 HA3 GLY A 55 12.246 -0.644 -3.617 1.00 22.03 H new ATOM 847 N ALA A 56 11.413 0.360 -1.343 1.00 31.34 N ATOM 848 CA ALA A 56 11.168 1.231 -0.164 1.00 72.12 C ATOM 849 C ALA A 56 12.345 2.198 0.102 1.00 13.34 C ATOM 850 O ALA A 56 13.176 1.937 0.960 1.00 62.42 O ATOM 851 CB ALA A 56 10.812 0.405 1.089 1.00 60.34 C ATOM 0 H ALA A 56 10.681 0.430 -2.050 1.00 31.34 H new ATOM 0 HA ALA A 56 10.302 1.849 -0.402 1.00 72.12 H new ATOM 0 HB1 ALA A 56 10.640 1.076 1.930 1.00 60.34 H new ATOM 0 HB2 ALA A 56 9.910 -0.176 0.898 1.00 60.34 H new ATOM 0 HB3 ALA A 56 11.635 -0.270 1.326 1.00 60.34 H new ATOM 857 N ARG A 57 12.406 3.312 -0.652 1.00 22.25 N ATOM 858 CA ARG A 57 13.547 4.260 -0.599 1.00 23.22 C ATOM 859 C ARG A 57 13.158 5.654 -1.156 1.00 33.41 C ATOM 860 O ARG A 57 13.071 6.632 -0.403 1.00 52.03 O ATOM 861 CB ARG A 57 14.745 3.656 -1.383 1.00 61.01 C ATOM 862 CG ARG A 57 15.990 4.564 -1.520 1.00 13.50 C ATOM 863 CD ARG A 57 17.080 3.906 -2.386 1.00 74.02 C ATOM 864 NE ARG A 57 16.535 3.453 -3.684 1.00 42.15 N ATOM 865 CZ ARG A 57 17.021 2.482 -4.426 1.00 14.40 C ATOM 866 NH1 ARG A 57 18.118 1.876 -4.112 1.00 72.13 N ATOM 867 NH2 ARG A 57 16.391 2.131 -5.494 1.00 73.15 N ATOM 0 H ARG A 57 11.676 3.583 -1.311 1.00 22.25 H new ATOM 0 HA ARG A 57 13.835 4.409 0.442 1.00 23.22 H new ATOM 0 HB2 ARG A 57 15.046 2.731 -0.892 1.00 61.01 H new ATOM 0 HB3 ARG A 57 14.402 3.389 -2.383 1.00 61.01 H new ATOM 0 HG2 ARG A 57 15.699 5.517 -1.962 1.00 13.50 H new ATOM 0 HG3 ARG A 57 16.393 4.782 -0.531 1.00 13.50 H new ATOM 0 HD2 ARG A 57 17.889 4.616 -2.557 1.00 74.02 H new ATOM 0 HD3 ARG A 57 17.508 3.057 -1.853 1.00 74.02 H new ATOM 0 HE ARG A 57 15.708 3.937 -4.035 1.00 42.15 H new ATOM 0 HH11 ARG A 57 18.628 2.148 -3.272 1.00 72.13 H new ATOM 0 HH12 ARG A 57 18.474 1.126 -4.704 1.00 72.13 H new ATOM 0 HH21 ARG A 57 15.526 2.605 -5.755 1.00 73.15 H new ATOM 0 HH22 ARG A 57 16.757 1.379 -6.078 1.00 73.15 H new ATOM 881 N SER A 58 12.909 5.727 -2.480 1.00 31.42 N ATOM 882 CA SER A 58 12.660 7.007 -3.197 1.00 64.31 C ATOM 883 C SER A 58 11.496 6.842 -4.193 1.00 13.52 C ATOM 884 O SER A 58 11.566 6.020 -5.114 1.00 23.34 O ATOM 885 CB SER A 58 13.936 7.463 -3.945 1.00 22.22 C ATOM 886 OG SER A 58 15.018 7.682 -3.050 1.00 73.55 O ATOM 0 H SER A 58 12.874 4.907 -3.085 1.00 31.42 H new ATOM 0 HA SER A 58 12.393 7.768 -2.464 1.00 64.31 H new ATOM 0 HB2 SER A 58 14.217 6.708 -4.679 1.00 22.22 H new ATOM 0 HB3 SER A 58 13.727 8.380 -4.496 1.00 22.22 H new ATOM 0 HG SER A 58 15.808 7.967 -3.555 1.00 73.55 H new ATOM 892 N GLY A 59 10.419 7.628 -3.993 1.00 44.42 N ATOM 893 CA GLY A 59 9.171 7.476 -4.762 1.00 23.02 C ATOM 894 C GLY A 59 8.201 6.462 -4.135 1.00 22.24 C ATOM 895 O GLY A 59 7.020 6.433 -4.482 1.00 74.44 O ATOM 0 H GLY A 59 10.391 8.377 -3.302 1.00 44.42 H new ATOM 0 HA2 GLY A 59 8.677 8.445 -4.838 1.00 23.02 H new ATOM 0 HA3 GLY A 59 9.412 7.161 -5.777 1.00 23.02 H new ATOM 899 N ASP A 60 8.721 5.629 -3.204 1.00 73.13 N ATOM 900 CA ASP A 60 7.941 4.615 -2.454 1.00 54.03 C ATOM 901 C ASP A 60 7.121 5.253 -1.304 1.00 45.53 C ATOM 902 O ASP A 60 6.152 4.664 -0.816 1.00 75.43 O ATOM 903 CB ASP A 60 8.903 3.559 -1.875 1.00 30.41 C ATOM 904 CG ASP A 60 9.823 2.940 -2.941 1.00 74.50 C ATOM 905 OD1 ASP A 60 10.866 3.554 -3.263 1.00 13.45 O ATOM 906 OD2 ASP A 60 9.524 1.841 -3.436 1.00 14.11 O ATOM 0 H ASP A 60 9.708 5.642 -2.948 1.00 73.13 H new ATOM 0 HA ASP A 60 7.239 4.151 -3.146 1.00 54.03 H new ATOM 0 HB2 ASP A 60 9.514 4.018 -1.098 1.00 30.41 H new ATOM 0 HB3 ASP A 60 8.323 2.768 -1.399 1.00 30.41 H new ATOM 911 N ALA A 61 7.530 6.457 -0.876 1.00 60.23 N ATOM 912 CA ALA A 61 6.849 7.215 0.188 1.00 45.00 C ATOM 913 C ALA A 61 5.649 7.980 -0.398 1.00 5.11 C ATOM 914 O ALA A 61 5.807 8.770 -1.337 1.00 44.21 O ATOM 915 CB ALA A 61 7.839 8.182 0.863 1.00 25.21 C ATOM 0 H ALA A 61 8.346 6.935 -1.259 1.00 60.23 H new ATOM 0 HA ALA A 61 6.479 6.521 0.943 1.00 45.00 H new ATOM 0 HB1 ALA A 61 7.327 8.738 1.648 1.00 25.21 H new ATOM 0 HB2 ALA A 61 8.662 7.615 1.298 1.00 25.21 H new ATOM 0 HB3 ALA A 61 8.230 8.879 0.121 1.00 25.21 H new ATOM 921 N GLY A 62 4.454 7.710 0.139 1.00 45.23 N ATOM 922 CA GLY A 62 3.233 8.372 -0.317 1.00 53.54 C ATOM 923 C GLY A 62 1.958 7.728 0.222 1.00 14.13 C ATOM 924 O GLY A 62 2.005 6.880 1.119 1.00 73.43 O ATOM 0 H GLY A 62 4.309 7.036 0.891 1.00 45.23 H new ATOM 0 HA2 GLY A 62 3.260 9.418 -0.012 1.00 53.54 H new ATOM 0 HA3 GLY A 62 3.206 8.358 -1.407 1.00 53.54 H new ATOM 928 N GLU A 63 0.812 8.166 -0.317 1.00 75.22 N ATOM 929 CA GLU A 63 -0.524 7.697 0.099 1.00 13.14 C ATOM 930 C GLU A 63 -0.942 6.466 -0.734 1.00 74.11 C ATOM 931 O GLU A 63 -1.030 6.538 -1.967 1.00 1.14 O ATOM 932 CB GLU A 63 -1.589 8.821 -0.062 1.00 32.44 C ATOM 933 CG GLU A 63 -1.317 10.135 0.722 1.00 44.20 C ATOM 934 CD GLU A 63 -0.112 10.947 0.196 1.00 72.22 C ATOM 935 OE1 GLU A 63 -0.150 11.382 -0.977 1.00 22.02 O ATOM 936 OE2 GLU A 63 0.887 11.117 0.930 1.00 3.32 O ATOM 0 H GLU A 63 0.782 8.863 -1.061 1.00 75.22 H new ATOM 0 HA GLU A 63 -0.468 7.421 1.152 1.00 13.14 H new ATOM 0 HB2 GLU A 63 -1.674 9.064 -1.121 1.00 32.44 H new ATOM 0 HB3 GLU A 63 -2.555 8.427 0.253 1.00 32.44 H new ATOM 0 HG2 GLU A 63 -2.209 10.761 0.681 1.00 44.20 H new ATOM 0 HG3 GLU A 63 -1.147 9.891 1.771 1.00 44.20 H new ATOM 943 N TYR A 64 -1.165 5.339 -0.052 1.00 61.13 N ATOM 944 CA TYR A 64 -1.675 4.098 -0.663 1.00 31.13 C ATOM 945 C TYR A 64 -3.164 3.906 -0.287 1.00 12.24 C ATOM 946 O TYR A 64 -3.491 3.554 0.835 1.00 32.44 O ATOM 947 CB TYR A 64 -0.821 2.898 -0.196 1.00 3.34 C ATOM 948 CG TYR A 64 0.625 2.911 -0.725 1.00 54.22 C ATOM 949 CD1 TYR A 64 1.608 3.737 -0.164 1.00 63.21 C ATOM 950 CD2 TYR A 64 1.004 2.083 -1.785 1.00 10.32 C ATOM 951 CE1 TYR A 64 2.905 3.728 -0.641 1.00 13.31 C ATOM 952 CE2 TYR A 64 2.297 2.072 -2.259 1.00 13.22 C ATOM 953 CZ TYR A 64 3.242 2.890 -1.687 1.00 60.43 C ATOM 954 OH TYR A 64 4.530 2.879 -2.169 1.00 34.43 O ATOM 0 H TYR A 64 -0.996 5.257 0.951 1.00 61.13 H new ATOM 0 HA TYR A 64 -1.603 4.165 -1.749 1.00 31.13 H new ATOM 0 HB2 TYR A 64 -0.798 2.885 0.894 1.00 3.34 H new ATOM 0 HB3 TYR A 64 -1.305 1.975 -0.516 1.00 3.34 H new ATOM 0 HD1 TYR A 64 1.348 4.392 0.655 1.00 63.21 H new ATOM 0 HD2 TYR A 64 0.268 1.438 -2.242 1.00 10.32 H new ATOM 0 HE1 TYR A 64 3.651 4.372 -0.199 1.00 13.31 H new ATOM 0 HE2 TYR A 64 2.568 1.422 -3.078 1.00 13.22 H new ATOM 0 HH TYR A 64 5.120 3.339 -1.536 1.00 34.43 H new ATOM 964 N LEU A 65 -4.059 4.138 -1.246 1.00 33.43 N ATOM 965 CA LEU A 65 -5.508 4.168 -1.010 1.00 51.45 C ATOM 966 C LEU A 65 -6.135 2.785 -1.312 1.00 33.00 C ATOM 967 O LEU A 65 -6.356 2.431 -2.473 1.00 62.10 O ATOM 968 CB LEU A 65 -6.119 5.282 -1.905 1.00 4.51 C ATOM 969 CG LEU A 65 -7.651 5.530 -1.785 1.00 34.23 C ATOM 970 CD1 LEU A 65 -8.046 5.978 -0.361 1.00 3.44 C ATOM 971 CD2 LEU A 65 -8.118 6.550 -2.847 1.00 21.21 C ATOM 0 H LEU A 65 -3.801 4.312 -2.217 1.00 33.43 H new ATOM 0 HA LEU A 65 -5.720 4.389 0.036 1.00 51.45 H new ATOM 0 HB2 LEU A 65 -5.607 6.217 -1.678 1.00 4.51 H new ATOM 0 HB3 LEU A 65 -5.896 5.041 -2.944 1.00 4.51 H new ATOM 0 HG LEU A 65 -8.160 4.585 -1.973 1.00 34.23 H new ATOM 0 HD11 LEU A 65 -9.123 6.141 -0.317 1.00 3.44 H new ATOM 0 HD12 LEU A 65 -7.766 5.205 0.354 1.00 3.44 H new ATOM 0 HD13 LEU A 65 -7.528 6.905 -0.114 1.00 3.44 H new ATOM 0 HD21 LEU A 65 -9.191 6.712 -2.749 1.00 21.21 H new ATOM 0 HD22 LEU A 65 -7.594 7.494 -2.700 1.00 21.21 H new ATOM 0 HD23 LEU A 65 -7.899 6.165 -3.843 1.00 21.21 H new ATOM 983 N CYS A 66 -6.381 2.000 -0.245 1.00 23.53 N ATOM 984 CA CYS A 66 -7.034 0.676 -0.343 1.00 33.30 C ATOM 985 C CYS A 66 -8.566 0.843 -0.423 1.00 72.53 C ATOM 986 O CYS A 66 -9.244 0.958 0.601 1.00 21.41 O ATOM 987 CB CYS A 66 -6.649 -0.217 0.856 1.00 3.55 C ATOM 988 SG CYS A 66 -7.264 -1.915 0.737 1.00 51.44 S ATOM 0 H CYS A 66 -6.134 2.264 0.709 1.00 23.53 H new ATOM 0 HA CYS A 66 -6.686 0.187 -1.253 1.00 33.30 H new ATOM 0 HB2 CYS A 66 -5.563 -0.240 0.944 1.00 3.55 H new ATOM 0 HB3 CYS A 66 -7.034 0.235 1.770 1.00 3.55 H new ATOM 0 HG CYS A 66 -6.260 -2.734 0.639 1.00 51.44 H new ATOM 994 N ASP A 67 -9.088 0.895 -1.652 1.00 21.11 N ATOM 995 CA ASP A 67 -10.506 1.193 -1.924 1.00 31.23 C ATOM 996 C ASP A 67 -11.346 -0.093 -2.134 1.00 15.12 C ATOM 997 O ASP A 67 -10.962 -0.981 -2.883 1.00 71.23 O ATOM 998 CB ASP A 67 -10.585 2.123 -3.159 1.00 74.40 C ATOM 999 CG ASP A 67 -12.023 2.496 -3.549 1.00 61.22 C ATOM 1000 OD1 ASP A 67 -12.614 3.383 -2.895 1.00 70.11 O ATOM 1001 OD2 ASP A 67 -12.567 1.909 -4.508 1.00 52.53 O ATOM 0 H ASP A 67 -8.538 0.731 -2.495 1.00 21.11 H new ATOM 0 HA ASP A 67 -10.934 1.693 -1.055 1.00 31.23 H new ATOM 0 HB2 ASP A 67 -10.023 3.035 -2.955 1.00 74.40 H new ATOM 0 HB3 ASP A 67 -10.102 1.634 -4.005 1.00 74.40 H new ATOM 1006 N ALA A 68 -12.504 -0.162 -1.464 1.00 13.24 N ATOM 1007 CA ALA A 68 -13.498 -1.246 -1.644 1.00 21.32 C ATOM 1008 C ALA A 68 -14.913 -0.626 -1.789 1.00 71.25 C ATOM 1009 O ALA A 68 -15.146 0.472 -1.262 1.00 31.25 O ATOM 1010 CB ALA A 68 -13.434 -2.234 -0.457 1.00 21.52 C ATOM 0 H ALA A 68 -12.786 0.535 -0.775 1.00 13.24 H new ATOM 0 HA ALA A 68 -13.271 -1.806 -2.551 1.00 21.32 H new ATOM 0 HB1 ALA A 68 -14.169 -3.025 -0.602 1.00 21.52 H new ATOM 0 HB2 ALA A 68 -12.437 -2.671 -0.401 1.00 21.52 H new ATOM 0 HB3 ALA A 68 -13.650 -1.703 0.470 1.00 21.52 H new ATOM 1016 N PRO A 69 -15.886 -1.314 -2.501 1.00 64.02 N ATOM 1017 CA PRO A 69 -17.283 -0.796 -2.701 1.00 41.31 C ATOM 1018 C PRO A 69 -18.031 -0.467 -1.372 1.00 21.12 C ATOM 1019 O PRO A 69 -19.001 0.299 -1.371 1.00 63.51 O ATOM 1020 CB PRO A 69 -17.996 -1.949 -3.486 1.00 11.34 C ATOM 1021 CG PRO A 69 -17.115 -3.151 -3.293 1.00 40.31 C ATOM 1022 CD PRO A 69 -15.704 -2.615 -3.202 1.00 31.24 C ATOM 0 HA PRO A 69 -17.277 0.157 -3.231 1.00 41.31 H new ATOM 0 HB2 PRO A 69 -18.999 -2.128 -3.099 1.00 11.34 H new ATOM 0 HB3 PRO A 69 -18.101 -1.702 -4.542 1.00 11.34 H new ATOM 0 HG2 PRO A 69 -17.387 -3.694 -2.388 1.00 40.31 H new ATOM 0 HG3 PRO A 69 -17.216 -3.848 -4.125 1.00 40.31 H new ATOM 0 HD2 PRO A 69 -15.052 -3.287 -2.644 1.00 31.24 H new ATOM 0 HD3 PRO A 69 -15.258 -2.484 -4.188 1.00 31.24 H new ATOM 1030 N GLN A 70 -17.571 -1.065 -0.257 1.00 43.12 N ATOM 1031 CA GLN A 70 -18.085 -0.774 1.100 1.00 42.14 C ATOM 1032 C GLN A 70 -17.272 0.384 1.743 1.00 55.12 C ATOM 1033 O GLN A 70 -17.834 1.430 2.082 1.00 40.13 O ATOM 1034 CB GLN A 70 -18.023 -2.071 1.971 1.00 22.42 C ATOM 1035 CG GLN A 70 -18.816 -2.064 3.311 1.00 13.42 C ATOM 1036 CD GLN A 70 -18.149 -1.295 4.461 1.00 3.22 C ATOM 1037 OE1 GLN A 70 -17.348 -1.842 5.206 1.00 65.12 O ATOM 1038 NE2 GLN A 70 -18.471 -0.025 4.616 1.00 21.41 N ATOM 0 H GLN A 70 -16.830 -1.766 -0.269 1.00 43.12 H new ATOM 0 HA GLN A 70 -19.125 -0.453 1.038 1.00 42.14 H new ATOM 0 HB2 GLN A 70 -18.387 -2.902 1.367 1.00 22.42 H new ATOM 0 HB3 GLN A 70 -16.977 -2.276 2.198 1.00 22.42 H new ATOM 0 HG2 GLN A 70 -19.801 -1.633 3.130 1.00 13.42 H new ATOM 0 HG3 GLN A 70 -18.973 -3.095 3.627 1.00 13.42 H new ATOM 0 HE21 GLN A 70 -19.141 0.412 3.984 1.00 21.41 H new ATOM 0 HE22 GLN A 70 -18.050 0.520 5.368 1.00 21.41 H new ATOM 1047 N ASP A 71 -15.944 0.194 1.890 1.00 13.22 N ATOM 1048 CA ASP A 71 -15.071 1.126 2.651 1.00 11.34 C ATOM 1049 C ASP A 71 -13.674 1.265 2.000 1.00 54.24 C ATOM 1050 O ASP A 71 -13.160 0.327 1.400 1.00 34.00 O ATOM 1051 CB ASP A 71 -14.945 0.640 4.117 1.00 4.12 C ATOM 1052 CG ASP A 71 -14.036 1.529 4.979 1.00 5.01 C ATOM 1053 OD1 ASP A 71 -14.455 2.651 5.335 1.00 14.42 O ATOM 1054 OD2 ASP A 71 -12.885 1.129 5.263 1.00 41.05 O ATOM 0 H ASP A 71 -15.446 -0.601 1.490 1.00 13.22 H new ATOM 0 HA ASP A 71 -15.532 2.114 2.635 1.00 11.34 H new ATOM 0 HB2 ASP A 71 -15.937 0.604 4.566 1.00 4.12 H new ATOM 0 HB3 ASP A 71 -14.556 -0.378 4.122 1.00 4.12 H new ATOM 1059 N SER A 72 -13.059 2.450 2.170 1.00 40.03 N ATOM 1060 CA SER A 72 -11.715 2.759 1.646 1.00 12.03 C ATOM 1061 C SER A 72 -10.828 3.390 2.736 1.00 3.40 C ATOM 1062 O SER A 72 -11.280 4.279 3.456 1.00 72.14 O ATOM 1063 CB SER A 72 -11.821 3.720 0.450 1.00 31.10 C ATOM 1064 OG SER A 72 -10.543 4.034 -0.078 1.00 74.12 O ATOM 0 H SER A 72 -13.484 3.226 2.678 1.00 40.03 H new ATOM 0 HA SER A 72 -11.257 1.824 1.323 1.00 12.03 H new ATOM 0 HB2 SER A 72 -12.436 3.268 -0.328 1.00 31.10 H new ATOM 0 HB3 SER A 72 -12.323 4.636 0.761 1.00 31.10 H new ATOM 0 HG SER A 72 -10.644 4.645 -0.838 1.00 74.12 H new ATOM 1070 N ARG A 73 -9.564 2.926 2.841 1.00 41.43 N ATOM 1071 CA ARG A 73 -8.561 3.462 3.798 1.00 31.21 C ATOM 1072 C ARG A 73 -7.397 4.164 3.057 1.00 24.22 C ATOM 1073 O ARG A 73 -6.867 3.631 2.081 1.00 14.04 O ATOM 1074 CB ARG A 73 -7.982 2.317 4.673 1.00 44.21 C ATOM 1075 CG ARG A 73 -8.982 1.607 5.613 1.00 40.10 C ATOM 1076 CD ARG A 73 -9.630 2.546 6.657 1.00 73.41 C ATOM 1077 NE ARG A 73 -10.868 3.189 6.168 1.00 61.41 N ATOM 1078 CZ ARG A 73 -11.362 4.326 6.601 1.00 34.22 C ATOM 1079 NH1 ARG A 73 -10.695 5.083 7.408 1.00 54.34 N ATOM 1080 NH2 ARG A 73 -12.516 4.716 6.186 1.00 41.22 N ATOM 0 H ARG A 73 -9.205 2.166 2.263 1.00 41.43 H new ATOM 0 HA ARG A 73 -9.069 4.190 4.430 1.00 31.21 H new ATOM 0 HB2 ARG A 73 -7.542 1.570 4.013 1.00 44.21 H new ATOM 0 HB3 ARG A 73 -7.172 2.724 5.278 1.00 44.21 H new ATOM 0 HG2 ARG A 73 -9.768 1.148 5.013 1.00 40.10 H new ATOM 0 HG3 ARG A 73 -8.467 0.800 6.134 1.00 40.10 H new ATOM 0 HD2 ARG A 73 -9.855 1.977 7.559 1.00 73.41 H new ATOM 0 HD3 ARG A 73 -8.913 3.318 6.938 1.00 73.41 H new ATOM 0 HE ARG A 73 -11.383 2.708 5.431 1.00 61.41 H new ATOM 0 HH11 ARG A 73 -9.766 4.801 7.721 1.00 54.34 H new ATOM 0 HH12 ARG A 73 -11.097 5.962 7.732 1.00 54.34 H new ATOM 0 HH21 ARG A 73 -13.041 4.143 5.525 1.00 41.22 H new ATOM 0 HH22 ARG A 73 -12.906 5.598 6.518 1.00 41.22 H new ATOM 1094 N ILE A 74 -7.003 5.354 3.541 1.00 70.12 N ATOM 1095 CA ILE A 74 -5.784 6.057 3.078 1.00 13.34 C ATOM 1096 C ILE A 74 -4.581 5.603 3.937 1.00 24.01 C ATOM 1097 O ILE A 74 -4.612 5.745 5.157 1.00 14.42 O ATOM 1098 CB ILE A 74 -5.933 7.627 3.202 1.00 53.03 C ATOM 1099 CG1 ILE A 74 -7.223 8.132 2.475 1.00 41.11 C ATOM 1100 CG2 ILE A 74 -4.665 8.359 2.666 1.00 54.50 C ATOM 1101 CD1 ILE A 74 -7.520 9.616 2.647 1.00 33.51 C ATOM 0 H ILE A 74 -7.516 5.859 4.263 1.00 70.12 H new ATOM 0 HA ILE A 74 -5.630 5.808 2.028 1.00 13.34 H new ATOM 0 HB ILE A 74 -6.032 7.866 4.261 1.00 53.03 H new ATOM 0 HG12 ILE A 74 -7.130 7.917 1.411 1.00 41.11 H new ATOM 0 HG13 ILE A 74 -8.076 7.561 2.842 1.00 41.11 H new ATOM 0 HG21 ILE A 74 -4.798 9.436 2.765 1.00 54.50 H new ATOM 0 HG22 ILE A 74 -3.794 8.047 3.242 1.00 54.50 H new ATOM 0 HG23 ILE A 74 -4.516 8.107 1.616 1.00 54.50 H new ATOM 0 HD11 ILE A 74 -8.432 9.869 2.107 1.00 33.51 H new ATOM 0 HD12 ILE A 74 -7.651 9.841 3.706 1.00 33.51 H new ATOM 0 HD13 ILE A 74 -6.690 10.201 2.252 1.00 33.51 H new ATOM 1113 N PHE A 75 -3.525 5.075 3.306 1.00 3.11 N ATOM 1114 CA PHE A 75 -2.308 4.626 4.023 1.00 20.25 C ATOM 1115 C PHE A 75 -1.215 5.691 3.913 1.00 2.21 C ATOM 1116 O PHE A 75 -0.588 5.843 2.856 1.00 3.52 O ATOM 1117 CB PHE A 75 -1.780 3.267 3.468 1.00 21.41 C ATOM 1118 CG PHE A 75 -2.636 2.052 3.822 1.00 3.44 C ATOM 1119 CD1 PHE A 75 -3.985 1.997 3.472 1.00 70.15 C ATOM 1120 CD2 PHE A 75 -2.092 0.969 4.512 1.00 31.02 C ATOM 1121 CE1 PHE A 75 -4.758 0.912 3.804 1.00 4.10 C ATOM 1122 CE2 PHE A 75 -2.871 -0.114 4.842 1.00 22.32 C ATOM 1123 CZ PHE A 75 -4.202 -0.141 4.484 1.00 73.32 C ATOM 0 H PHE A 75 -3.482 4.945 2.295 1.00 3.11 H new ATOM 0 HA PHE A 75 -2.574 4.479 5.070 1.00 20.25 H new ATOM 0 HB2 PHE A 75 -1.707 3.338 2.383 1.00 21.41 H new ATOM 0 HB3 PHE A 75 -0.770 3.105 3.846 1.00 21.41 H new ATOM 0 HD1 PHE A 75 -4.428 2.820 2.932 1.00 70.15 H new ATOM 0 HD2 PHE A 75 -1.048 0.982 4.790 1.00 31.02 H new ATOM 0 HE1 PHE A 75 -5.802 0.888 3.530 1.00 4.10 H new ATOM 0 HE2 PHE A 75 -2.440 -0.944 5.382 1.00 22.32 H new ATOM 0 HZ PHE A 75 -4.810 -0.996 4.740 1.00 73.32 H new ATOM 1133 N LEU A 76 -1.003 6.444 5.005 1.00 35.53 N ATOM 1134 CA LEU A 76 0.081 7.432 5.071 1.00 25.34 C ATOM 1135 C LEU A 76 1.409 6.700 5.331 1.00 73.25 C ATOM 1136 O LEU A 76 1.766 6.400 6.479 1.00 12.41 O ATOM 1137 CB LEU A 76 -0.196 8.493 6.164 1.00 71.33 C ATOM 1138 CG LEU A 76 -1.510 9.318 6.005 1.00 45.12 C ATOM 1139 CD1 LEU A 76 -1.655 10.352 7.142 1.00 32.35 C ATOM 1140 CD2 LEU A 76 -1.598 9.986 4.609 1.00 73.01 C ATOM 0 H LEU A 76 -1.568 6.386 5.852 1.00 35.53 H new ATOM 0 HA LEU A 76 0.143 7.963 4.121 1.00 25.34 H new ATOM 0 HB2 LEU A 76 -0.222 7.990 7.131 1.00 71.33 H new ATOM 0 HB3 LEU A 76 0.644 9.187 6.188 1.00 71.33 H new ATOM 0 HG LEU A 76 -2.348 8.625 6.080 1.00 45.12 H new ATOM 0 HD11 LEU A 76 -2.579 10.914 7.007 1.00 32.35 H new ATOM 0 HD12 LEU A 76 -1.680 9.836 8.102 1.00 32.35 H new ATOM 0 HD13 LEU A 76 -0.808 11.037 7.121 1.00 32.35 H new ATOM 0 HD21 LEU A 76 -2.526 10.552 4.534 1.00 73.01 H new ATOM 0 HD22 LEU A 76 -0.751 10.659 4.473 1.00 73.01 H new ATOM 0 HD23 LEU A 76 -1.579 9.218 3.836 1.00 73.01 H new ATOM 1152 N VAL A 77 2.097 6.367 4.235 1.00 32.34 N ATOM 1153 CA VAL A 77 3.382 5.668 4.271 1.00 43.21 C ATOM 1154 C VAL A 77 4.530 6.662 4.043 1.00 14.04 C ATOM 1155 O VAL A 77 4.659 7.239 2.958 1.00 22.24 O ATOM 1156 CB VAL A 77 3.441 4.517 3.205 1.00 42.14 C ATOM 1157 CG1 VAL A 77 4.832 3.827 3.205 1.00 71.43 C ATOM 1158 CG2 VAL A 77 2.293 3.495 3.435 1.00 11.10 C ATOM 0 H VAL A 77 1.774 6.577 3.291 1.00 32.34 H new ATOM 0 HA VAL A 77 3.490 5.215 5.256 1.00 43.21 H new ATOM 0 HB VAL A 77 3.298 4.957 2.218 1.00 42.14 H new ATOM 0 HG11 VAL A 77 4.845 3.034 2.457 1.00 71.43 H new ATOM 0 HG12 VAL A 77 5.602 4.561 2.969 1.00 71.43 H new ATOM 0 HG13 VAL A 77 5.027 3.401 4.189 1.00 71.43 H new ATOM 0 HG21 VAL A 77 2.353 2.706 2.685 1.00 11.10 H new ATOM 0 HG22 VAL A 77 2.388 3.059 4.429 1.00 11.10 H new ATOM 0 HG23 VAL A 77 1.332 4.003 3.352 1.00 11.10 H new ATOM 1168 N SER A 78 5.348 6.869 5.079 1.00 12.04 N ATOM 1169 CA SER A 78 6.552 7.707 4.991 1.00 0.04 C ATOM 1170 C SER A 78 7.809 6.818 5.087 1.00 14.44 C ATOM 1171 O SER A 78 8.120 6.258 6.146 1.00 75.14 O ATOM 1172 CB SER A 78 6.532 8.782 6.104 1.00 14.40 C ATOM 1173 OG SER A 78 6.546 8.205 7.405 1.00 30.40 O ATOM 0 H SER A 78 5.196 6.462 6.002 1.00 12.04 H new ATOM 0 HA SER A 78 6.572 8.223 4.031 1.00 0.04 H new ATOM 0 HB2 SER A 78 7.395 9.438 5.989 1.00 14.40 H new ATOM 0 HB3 SER A 78 5.643 9.402 5.992 1.00 14.40 H new ATOM 0 HG SER A 78 7.072 7.378 7.390 1.00 30.40 H new ATOM 1179 N VAL A 79 8.506 6.653 3.953 1.00 50.23 N ATOM 1180 CA VAL A 79 9.820 5.994 3.914 1.00 64.42 C ATOM 1181 C VAL A 79 10.898 7.040 4.246 1.00 3.54 C ATOM 1182 O VAL A 79 11.016 8.058 3.555 1.00 12.42 O ATOM 1183 CB VAL A 79 10.121 5.332 2.521 1.00 33.21 C ATOM 1184 CG1 VAL A 79 11.515 4.647 2.526 1.00 22.32 C ATOM 1185 CG2 VAL A 79 8.998 4.336 2.119 1.00 25.53 C ATOM 0 H VAL A 79 8.177 6.971 3.041 1.00 50.23 H new ATOM 0 HA VAL A 79 9.821 5.188 4.648 1.00 64.42 H new ATOM 0 HB VAL A 79 10.141 6.120 1.768 1.00 33.21 H new ATOM 0 HG11 VAL A 79 11.702 4.196 1.552 1.00 22.32 H new ATOM 0 HG12 VAL A 79 12.285 5.390 2.736 1.00 22.32 H new ATOM 0 HG13 VAL A 79 11.538 3.874 3.294 1.00 22.32 H new ATOM 0 HG21 VAL A 79 9.233 3.894 1.151 1.00 25.53 H new ATOM 0 HG22 VAL A 79 8.924 3.549 2.869 1.00 25.53 H new ATOM 0 HG23 VAL A 79 8.048 4.866 2.054 1.00 25.53 H new ATOM 1195 N GLU A 80 11.654 6.783 5.313 1.00 24.14 N ATOM 1196 CA GLU A 80 12.586 7.757 5.906 1.00 51.33 C ATOM 1197 C GLU A 80 13.539 7.058 6.893 1.00 41.31 C ATOM 1198 O GLU A 80 13.476 5.831 7.060 1.00 53.51 O ATOM 1199 CB GLU A 80 11.771 8.845 6.662 1.00 23.43 C ATOM 1200 CG GLU A 80 10.875 8.283 7.791 1.00 35.01 C ATOM 1201 CD GLU A 80 10.098 9.370 8.543 1.00 24.23 C ATOM 1202 OE1 GLU A 80 9.014 9.763 8.076 1.00 40.44 O ATOM 1203 OE2 GLU A 80 10.576 9.847 9.593 1.00 4.34 O ATOM 0 H GLU A 80 11.641 5.886 5.799 1.00 24.14 H new ATOM 0 HA GLU A 80 13.176 8.213 5.111 1.00 51.33 H new ATOM 0 HB2 GLU A 80 12.462 9.573 7.088 1.00 23.43 H new ATOM 0 HB3 GLU A 80 11.146 9.379 5.947 1.00 23.43 H new ATOM 0 HG2 GLU A 80 10.169 7.570 7.365 1.00 35.01 H new ATOM 0 HG3 GLU A 80 11.495 7.733 8.499 1.00 35.01 H new ATOM 1210 N GLU A 81 14.413 7.867 7.538 1.00 63.14 N ATOM 1211 CA GLU A 81 15.207 7.453 8.716 1.00 22.10 C ATOM 1212 C GLU A 81 16.148 6.254 8.377 1.00 21.21 C ATOM 1213 O GLU A 81 15.786 5.096 8.609 1.00 40.34 O ATOM 1214 CB GLU A 81 14.238 7.160 9.904 1.00 44.25 C ATOM 1215 CG GLU A 81 14.892 6.789 11.244 1.00 42.43 C ATOM 1216 CD GLU A 81 13.865 6.702 12.385 1.00 14.21 C ATOM 1217 OE1 GLU A 81 13.019 5.783 12.368 1.00 65.43 O ATOM 1218 OE2 GLU A 81 13.869 7.580 13.275 1.00 51.14 O ATOM 0 H GLU A 81 14.587 8.831 7.253 1.00 63.14 H new ATOM 0 HA GLU A 81 15.872 8.263 9.018 1.00 22.10 H new ATOM 0 HB2 GLU A 81 13.614 8.040 10.061 1.00 44.25 H new ATOM 0 HB3 GLU A 81 13.574 6.346 9.611 1.00 44.25 H new ATOM 0 HG2 GLU A 81 15.404 5.832 11.144 1.00 42.43 H new ATOM 0 HG3 GLU A 81 15.650 7.531 11.495 1.00 42.43 H new ATOM 1225 N PRO A 82 17.352 6.527 7.756 1.00 33.31 N ATOM 1226 CA PRO A 82 18.310 5.462 7.326 1.00 14.21 C ATOM 1227 C PRO A 82 18.872 4.610 8.518 1.00 21.53 C ATOM 1228 O PRO A 82 18.381 3.479 8.736 1.00 37.68 O ATOM 1229 CB PRO A 82 19.433 6.256 6.582 1.00 44.44 C ATOM 1230 CG PRO A 82 18.819 7.591 6.263 1.00 30.22 C ATOM 1231 CD PRO A 82 17.867 7.878 7.403 1.00 40.45 C ATOM 1232 OXT PRO A 82 19.781 5.084 9.237 1.00 37.68 O ATOM 0 HA PRO A 82 17.829 4.715 6.695 1.00 14.21 H new ATOM 0 HB2 PRO A 82 20.318 6.368 7.208 1.00 44.44 H new ATOM 0 HB3 PRO A 82 19.747 5.739 5.675 1.00 44.44 H new ATOM 0 HG2 PRO A 82 19.582 8.365 6.184 1.00 30.22 H new ATOM 0 HG3 PRO A 82 18.293 7.563 5.309 1.00 30.22 H new ATOM 0 HD2 PRO A 82 18.375 8.349 8.244 1.00 40.45 H new ATOM 0 HD3 PRO A 82 17.064 8.550 7.099 1.00 40.45 H new