USER MOD reduce.3.24.130724 H: found=0, std=0, add=917, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 914 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 65 CYS SG : rot 170:sc= -0.329 USER MOD Set 1.2: A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 23 THR OG1 : rot -170:sc=-0.00886 USER MOD Set 2.2: A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 1 MET N :NH3+ -177:sc= -2.21 (180deg=-3.01!) USER MOD Set 3.2: A 34 THR OG1 : rot 180:sc= 0.333 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -1.26 K(o=-1.3,f=-2.2!) USER MOD Single : A 11 CYS SG : rot -78:sc= 0.357 USER MOD Single : A 16 ASN : amide:sc= -0.429 X(o=-0.43,f=-0.17) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -167:sc= 0.972 (180deg=0.847) USER MOD Single : A 30 LYS NZ :NH3+ -162:sc= -0.993 (180deg=-1.62) USER MOD Single : A 33 ASN : amide:sc= -1.37 K(o=-1.4,f=-5.6!) USER MOD Single : A 35 LYS NZ :NH3+ 168:sc= -0.0475 (180deg=-0.209) USER MOD Single : A 40 LYS NZ :NH3+ -139:sc= -0.128 (180deg=-1.97!) USER MOD Single : A 45 ASN : amide:sc= -0.307 X(o=-0.31,f=-0.25) USER MOD Single : A 56 ASN : amide:sc= -2.15 X(o=-2.2,f=-2) USER MOD Single : A 58 CYS SG : rot -94:sc= 1.47 USER MOD Single : A 63 TYR OH : rot -56:sc= 0.51 USER MOD Single : A 67 ASN : amide:sc= -0.341 K(o=-0.34,f=-1.9) USER MOD Single : A 70 GLN : amide:sc= -0.142 X(o=-0.14,f=-0.56) USER MOD Single : A 75 CYS SG : rot 170:sc= -0.0351 USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot -170:sc= -0.862 USER MOD Single : A 87 TYR OH : rot 110:sc= 1.06 USER MOD Single : A 89 SER OG : rot -46:sc= 0.011 USER MOD Single : A 90 SER OG : rot -40:sc= 0.0823 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -155:sc= -0.521 (180deg=-1.07) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.134 USER MOD Single : A 109 HIS : no HD1:sc= -1.62 K(o=-1.6,f=-0.69) USER MOD Single : A 111 MET CE :methyl 170:sc=-0.00642 (180deg=-0.152) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.917 0.367 1.201 1.00 42.41 N ATOM 2 CA MET A 1 0.979 0.397 -0.256 1.00 32.32 C ATOM 3 C MET A 1 1.663 -0.855 -0.796 1.00 74.24 C ATOM 4 O MET A 1 1.041 -1.665 -1.483 1.00 62.51 O ATOM 5 CB MET A 1 1.725 1.645 -0.731 1.00 72.01 C ATOM 6 CG MET A 1 1.316 2.913 0.001 1.00 71.20 C ATOM 7 SD MET A 1 2.626 3.557 1.060 1.00 74.41 S ATOM 8 CE MET A 1 3.352 4.792 -0.014 1.00 3.42 C ATOM 0 H1 MET A 1 0.403 1.203 1.544 1.00 42.41 H new ATOM 0 H2 MET A 1 0.422 -0.494 1.510 1.00 42.41 H new ATOM 0 H3 MET A 1 1.882 0.370 1.590 1.00 42.41 H new ATOM 0 HA MET A 1 -0.042 0.426 -0.638 1.00 32.32 H new ATOM 0 HB2 MET A 1 2.796 1.490 -0.601 1.00 72.01 H new ATOM 0 HB3 MET A 1 1.550 1.779 -1.798 1.00 72.01 H new ATOM 0 HG2 MET A 1 1.036 3.674 -0.727 1.00 71.20 H new ATOM 0 HG3 MET A 1 0.432 2.710 0.606 1.00 71.20 H new ATOM 0 HE1 MET A 1 4.180 5.280 0.501 1.00 3.42 H new ATOM 0 HE2 MET A 1 3.721 4.314 -0.921 1.00 3.42 H new ATOM 0 HE3 MET A 1 2.598 5.535 -0.276 1.00 3.42 H new ATOM 18 N ALA A 2 2.945 -1.006 -0.482 1.00 30.10 N ATOM 19 CA ALA A 2 3.712 -2.160 -0.935 1.00 11.01 C ATOM 20 C ALA A 2 3.860 -3.192 0.178 1.00 74.01 C ATOM 21 O ALA A 2 4.007 -2.840 1.348 1.00 35.23 O ATOM 22 CB ALA A 2 5.080 -1.721 -1.435 1.00 40.03 C ATOM 0 H ALA A 2 3.475 -0.344 0.084 1.00 30.10 H new ATOM 0 HA ALA A 2 3.169 -2.626 -1.757 1.00 11.01 H new ATOM 0 HB1 ALA A 2 5.642 -2.593 -1.770 1.00 40.03 H new ATOM 0 HB2 ALA A 2 4.958 -1.027 -2.266 1.00 40.03 H new ATOM 0 HB3 ALA A 2 5.622 -1.229 -0.627 1.00 40.03 H new ATOM 28 N SER A 3 3.819 -4.467 -0.195 1.00 30.33 N ATOM 29 CA SER A 3 3.944 -5.551 0.773 1.00 12.21 C ATOM 30 C SER A 3 2.677 -5.677 1.614 1.00 72.24 C ATOM 31 O SER A 3 1.942 -6.658 1.505 1.00 13.42 O ATOM 32 CB SER A 3 5.151 -5.314 1.682 1.00 22.24 C ATOM 33 OG SER A 3 6.037 -6.420 1.653 1.00 75.32 O ATOM 0 H SER A 3 3.700 -4.775 -1.160 1.00 30.33 H new ATOM 0 HA SER A 3 4.089 -6.481 0.223 1.00 12.21 H new ATOM 0 HB2 SER A 3 5.678 -4.414 1.365 1.00 22.24 H new ATOM 0 HB3 SER A 3 4.812 -5.142 2.704 1.00 22.24 H new ATOM 0 HG SER A 3 6.801 -6.243 2.241 1.00 75.32 H new ATOM 39 N GLY A 4 2.428 -4.676 2.453 1.00 63.03 N ATOM 40 CA GLY A 4 1.250 -4.693 3.300 1.00 24.41 C ATOM 41 C GLY A 4 -0.019 -4.373 2.536 1.00 44.33 C ATOM 42 O GLY A 4 -0.643 -3.337 2.763 1.00 1.11 O ATOM 0 H GLY A 4 3.021 -3.853 2.561 1.00 63.03 H new ATOM 0 HA2 GLY A 4 1.154 -5.675 3.763 1.00 24.41 H new ATOM 0 HA3 GLY A 4 1.376 -3.971 4.107 1.00 24.41 H new ATOM 46 N MET A 5 -0.400 -5.263 1.625 1.00 11.25 N ATOM 47 CA MET A 5 -1.603 -5.068 0.824 1.00 32.44 C ATOM 48 C MET A 5 -2.814 -4.813 1.716 1.00 74.12 C ATOM 49 O MET A 5 -2.912 -5.353 2.817 1.00 62.22 O ATOM 50 CB MET A 5 -1.855 -6.290 -0.061 1.00 32.42 C ATOM 51 CG MET A 5 -1.846 -7.605 0.702 1.00 64.54 C ATOM 52 SD MET A 5 -3.460 -8.022 1.388 1.00 1.14 S ATOM 53 CE MET A 5 -2.984 -9.072 2.759 1.00 1.44 C ATOM 0 H MET A 5 0.106 -6.125 1.423 1.00 11.25 H new ATOM 0 HA MET A 5 -1.450 -4.194 0.190 1.00 32.44 H new ATOM 0 HB2 MET A 5 -2.818 -6.175 -0.559 1.00 32.42 H new ATOM 0 HB3 MET A 5 -1.094 -6.327 -0.841 1.00 32.42 H new ATOM 0 HG2 MET A 5 -1.521 -8.405 0.036 1.00 64.54 H new ATOM 0 HG3 MET A 5 -1.116 -7.547 1.510 1.00 64.54 H new ATOM 0 HE1 MET A 5 -3.877 -9.411 3.284 1.00 1.44 H new ATOM 0 HE2 MET A 5 -2.434 -9.935 2.383 1.00 1.44 H new ATOM 0 HE3 MET A 5 -2.351 -8.510 3.445 1.00 1.44 H new ATOM 63 N GLY A 6 -3.736 -3.986 1.232 1.00 10.40 N ATOM 64 CA GLY A 6 -4.928 -3.673 1.998 1.00 31.24 C ATOM 65 C GLY A 6 -6.203 -4.031 1.260 1.00 45.13 C ATOM 66 O GLY A 6 -6.745 -3.217 0.512 1.00 1.23 O ATOM 0 H GLY A 6 -3.678 -3.527 0.323 1.00 10.40 H new ATOM 0 HA2 GLY A 6 -4.898 -4.210 2.946 1.00 31.24 H new ATOM 0 HA3 GLY A 6 -4.935 -2.609 2.234 1.00 31.24 H new ATOM 70 N VAL A 7 -6.682 -5.253 1.467 1.00 22.31 N ATOM 71 CA VAL A 7 -7.900 -5.718 0.815 1.00 52.33 C ATOM 72 C VAL A 7 -9.134 -5.062 1.424 1.00 32.03 C ATOM 73 O VAL A 7 -9.461 -5.292 2.589 1.00 44.01 O ATOM 74 CB VAL A 7 -8.043 -7.248 0.916 1.00 43.03 C ATOM 75 CG1 VAL A 7 -6.998 -7.940 0.053 1.00 12.20 C ATOM 76 CG2 VAL A 7 -7.933 -7.698 2.365 1.00 62.45 C ATOM 0 H VAL A 7 -6.245 -5.939 2.082 1.00 22.31 H new ATOM 0 HA VAL A 7 -7.823 -5.437 -0.235 1.00 52.33 H new ATOM 0 HB VAL A 7 -9.029 -7.529 0.546 1.00 43.03 H new ATOM 0 HG11 VAL A 7 -7.114 -9.021 0.137 1.00 12.20 H new ATOM 0 HG12 VAL A 7 -7.129 -7.641 -0.987 1.00 12.20 H new ATOM 0 HG13 VAL A 7 -6.001 -7.655 0.390 1.00 12.20 H new ATOM 0 HG21 VAL A 7 -8.036 -8.782 2.418 1.00 62.45 H new ATOM 0 HG22 VAL A 7 -6.962 -7.406 2.764 1.00 62.45 H new ATOM 0 HG23 VAL A 7 -8.722 -7.229 2.953 1.00 62.45 H new ATOM 86 N ASP A 8 -9.817 -4.245 0.630 1.00 44.03 N ATOM 87 CA ASP A 8 -11.017 -3.556 1.090 1.00 23.32 C ATOM 88 C ASP A 8 -12.267 -4.163 0.461 1.00 43.04 C ATOM 89 O ASP A 8 -12.179 -4.939 -0.490 1.00 75.40 O ATOM 90 CB ASP A 8 -10.935 -2.066 0.757 1.00 2.20 C ATOM 91 CG ASP A 8 -11.766 -1.216 1.698 1.00 52.24 C ATOM 92 OD1 ASP A 8 -11.599 -1.355 2.927 1.00 20.30 O ATOM 93 OD2 ASP A 8 -12.585 -0.412 1.204 1.00 3.42 O ATOM 0 H ASP A 8 -9.560 -4.043 -0.336 1.00 44.03 H new ATOM 0 HA ASP A 8 -11.082 -3.675 2.172 1.00 23.32 H new ATOM 0 HB2 ASP A 8 -9.895 -1.743 0.803 1.00 2.20 H new ATOM 0 HB3 ASP A 8 -11.273 -1.906 -0.267 1.00 2.20 H new ATOM 98 N GLU A 9 -13.428 -3.804 0.998 1.00 12.25 N ATOM 99 CA GLU A 9 -14.696 -4.315 0.490 1.00 45.13 C ATOM 100 C GLU A 9 -14.907 -3.897 -0.963 1.00 30.04 C ATOM 101 O GLU A 9 -15.735 -4.469 -1.670 1.00 35.04 O ATOM 102 CB GLU A 9 -15.856 -3.812 1.351 1.00 72.32 C ATOM 103 CG GLU A 9 -15.642 -4.018 2.841 1.00 74.51 C ATOM 104 CD GLU A 9 -16.842 -4.649 3.521 1.00 72.34 C ATOM 105 OE1 GLU A 9 -17.846 -3.938 3.734 1.00 41.10 O ATOM 106 OE2 GLU A 9 -16.777 -5.855 3.839 1.00 62.21 O ATOM 0 H GLU A 9 -13.517 -3.161 1.785 1.00 12.25 H new ATOM 0 HA GLU A 9 -14.665 -5.404 0.536 1.00 45.13 H new ATOM 0 HB2 GLU A 9 -16.007 -2.750 1.158 1.00 72.32 H new ATOM 0 HB3 GLU A 9 -16.770 -4.324 1.050 1.00 72.32 H new ATOM 0 HG2 GLU A 9 -14.768 -4.651 2.995 1.00 74.51 H new ATOM 0 HG3 GLU A 9 -15.427 -3.058 3.310 1.00 74.51 H new ATOM 113 N ASN A 10 -14.152 -2.895 -1.400 1.00 4.32 N ATOM 114 CA ASN A 10 -14.257 -2.399 -2.767 1.00 44.52 C ATOM 115 C ASN A 10 -13.692 -3.412 -3.758 1.00 44.53 C ATOM 116 O ASN A 10 -14.263 -3.635 -4.826 1.00 63.33 O ATOM 117 CB ASN A 10 -13.518 -1.066 -2.906 1.00 52.33 C ATOM 118 CG ASN A 10 -14.339 0.105 -2.401 1.00 42.33 C ATOM 119 OD1 ASN A 10 -13.871 0.900 -1.586 1.00 21.35 O ATOM 120 ND2 ASN A 10 -15.570 0.217 -2.886 1.00 13.05 N ATOM 0 H ASN A 10 -13.461 -2.410 -0.827 1.00 4.32 H new ATOM 0 HA ASN A 10 -15.313 -2.247 -2.992 1.00 44.52 H new ATOM 0 HB2 ASN A 10 -12.580 -1.114 -2.353 1.00 52.33 H new ATOM 0 HB3 ASN A 10 -13.263 -0.903 -3.953 1.00 52.33 H new ATOM 0 HD21 ASN A 10 -16.169 0.986 -2.584 1.00 13.05 H new ATOM 0 HD22 ASN A 10 -15.917 -0.465 -3.560 1.00 13.05 H new ATOM 127 N CYS A 11 -12.568 -4.021 -3.397 1.00 0.11 N ATOM 128 CA CYS A 11 -11.925 -5.011 -4.254 1.00 51.53 C ATOM 129 C CYS A 11 -12.920 -6.082 -4.689 1.00 1.14 C ATOM 130 O CYS A 11 -12.739 -6.731 -5.719 1.00 52.21 O ATOM 131 CB CYS A 11 -10.746 -5.657 -3.526 1.00 61.32 C ATOM 132 SG CYS A 11 -11.208 -7.038 -2.454 1.00 63.45 S ATOM 0 H CYS A 11 -12.083 -3.847 -2.517 1.00 0.11 H new ATOM 0 HA CYS A 11 -11.557 -4.501 -5.144 1.00 51.53 H new ATOM 0 HB2 CYS A 11 -10.026 -6.009 -4.264 1.00 61.32 H new ATOM 0 HB3 CYS A 11 -10.243 -4.898 -2.927 1.00 61.32 H new ATOM 0 HG CYS A 11 -11.710 -6.578 -1.346 1.00 63.45 H new ATOM 138 N VAL A 12 -13.970 -6.263 -3.895 1.00 35.43 N ATOM 139 CA VAL A 12 -14.994 -7.257 -4.196 1.00 52.34 C ATOM 140 C VAL A 12 -16.011 -6.712 -5.193 1.00 34.20 C ATOM 141 O VAL A 12 -16.470 -7.429 -6.082 1.00 65.11 O ATOM 142 CB VAL A 12 -15.732 -7.708 -2.922 1.00 4.24 C ATOM 143 CG1 VAL A 12 -16.684 -8.852 -3.232 1.00 74.13 C ATOM 144 CG2 VAL A 12 -14.735 -8.110 -1.845 1.00 35.14 C ATOM 0 H VAL A 12 -14.134 -5.734 -3.038 1.00 35.43 H new ATOM 0 HA VAL A 12 -14.483 -8.115 -4.633 1.00 52.34 H new ATOM 0 HB VAL A 12 -16.320 -6.870 -2.548 1.00 4.24 H new ATOM 0 HG11 VAL A 12 -17.196 -9.157 -2.319 1.00 74.13 H new ATOM 0 HG12 VAL A 12 -17.418 -8.525 -3.968 1.00 74.13 H new ATOM 0 HG13 VAL A 12 -16.121 -9.696 -3.631 1.00 74.13 H new ATOM 0 HG21 VAL A 12 -15.273 -8.426 -0.951 1.00 35.14 H new ATOM 0 HG22 VAL A 12 -14.119 -8.933 -2.208 1.00 35.14 H new ATOM 0 HG23 VAL A 12 -14.098 -7.259 -1.603 1.00 35.14 H new ATOM 154 N ALA A 13 -16.360 -5.439 -5.038 1.00 71.23 N ATOM 155 CA ALA A 13 -17.321 -4.797 -5.926 1.00 74.22 C ATOM 156 C ALA A 13 -16.967 -5.043 -7.389 1.00 31.12 C ATOM 157 O ALA A 13 -17.849 -5.191 -8.235 1.00 34.14 O ATOM 158 CB ALA A 13 -17.388 -3.304 -5.641 1.00 61.10 C ATOM 0 H ALA A 13 -15.991 -4.832 -4.306 1.00 71.23 H new ATOM 0 HA ALA A 13 -18.301 -5.236 -5.738 1.00 74.22 H new ATOM 0 HB1 ALA A 13 -18.110 -2.838 -6.312 1.00 61.10 H new ATOM 0 HB2 ALA A 13 -17.697 -3.144 -4.608 1.00 61.10 H new ATOM 0 HB3 ALA A 13 -16.406 -2.859 -5.799 1.00 61.10 H new ATOM 164 N ARG A 14 -15.671 -5.085 -7.680 1.00 11.40 N ATOM 165 CA ARG A 14 -15.201 -5.311 -9.041 1.00 43.43 C ATOM 166 C ARG A 14 -15.657 -6.673 -9.555 1.00 21.10 C ATOM 167 O ARG A 14 -16.378 -6.764 -10.549 1.00 12.04 O ATOM 168 CB ARG A 14 -13.675 -5.217 -9.099 1.00 2.24 C ATOM 169 CG ARG A 14 -13.138 -3.827 -8.796 1.00 33.43 C ATOM 170 CD ARG A 14 -12.218 -3.837 -7.585 1.00 63.34 C ATOM 171 NE ARG A 14 -11.481 -5.093 -7.468 1.00 50.13 N ATOM 172 CZ ARG A 14 -10.571 -5.496 -8.348 1.00 1.20 C ATOM 173 NH1 ARG A 14 -10.287 -4.745 -9.403 1.00 64.45 N ATOM 174 NH2 ARG A 14 -9.943 -6.651 -8.172 1.00 64.35 N ATOM 0 H ARG A 14 -14.928 -4.965 -6.991 1.00 11.40 H new ATOM 0 HA ARG A 14 -15.630 -4.539 -9.679 1.00 43.43 H new ATOM 0 HB2 ARG A 14 -13.249 -5.925 -8.388 1.00 2.24 H new ATOM 0 HB3 ARG A 14 -13.338 -5.519 -10.091 1.00 2.24 H new ATOM 0 HG2 ARG A 14 -12.596 -3.448 -9.663 1.00 33.43 H new ATOM 0 HG3 ARG A 14 -13.970 -3.146 -8.617 1.00 33.43 H new ATOM 0 HD2 ARG A 14 -11.513 -3.009 -7.658 1.00 63.34 H new ATOM 0 HD3 ARG A 14 -12.806 -3.676 -6.682 1.00 63.34 H new ATOM 0 HE ARG A 14 -11.676 -5.693 -6.667 1.00 50.13 H new ATOM 0 HH11 ARG A 14 -10.768 -3.856 -9.540 1.00 64.45 H new ATOM 0 HH12 ARG A 14 -9.588 -5.056 -10.077 1.00 64.45 H new ATOM 0 HH21 ARG A 14 -10.159 -7.230 -7.361 1.00 64.35 H new ATOM 0 HH22 ARG A 14 -9.244 -6.960 -8.848 1.00 64.35 H new ATOM 188 N PHE A 15 -15.231 -7.730 -8.872 1.00 21.24 N ATOM 189 CA PHE A 15 -15.594 -9.088 -9.259 1.00 71.33 C ATOM 190 C PHE A 15 -17.110 -9.263 -9.273 1.00 21.00 C ATOM 191 O PHE A 15 -17.659 -9.942 -10.139 1.00 72.31 O ATOM 192 CB PHE A 15 -14.961 -10.101 -8.303 1.00 13.03 C ATOM 193 CG PHE A 15 -15.471 -11.502 -8.490 1.00 4.43 C ATOM 194 CD1 PHE A 15 -15.710 -12.002 -9.759 1.00 70.13 C ATOM 195 CD2 PHE A 15 -15.710 -12.317 -7.396 1.00 34.43 C ATOM 196 CE1 PHE A 15 -16.178 -13.291 -9.935 1.00 13.31 C ATOM 197 CE2 PHE A 15 -16.178 -13.607 -7.565 1.00 52.22 C ATOM 198 CZ PHE A 15 -16.414 -14.094 -8.836 1.00 43.42 C ATOM 0 H PHE A 15 -14.634 -7.672 -8.047 1.00 21.24 H new ATOM 0 HA PHE A 15 -15.216 -9.265 -10.266 1.00 71.33 H new ATOM 0 HB2 PHE A 15 -13.880 -10.095 -8.443 1.00 13.03 H new ATOM 0 HB3 PHE A 15 -15.151 -9.788 -7.276 1.00 13.03 H new ATOM 0 HD1 PHE A 15 -15.529 -11.378 -10.621 1.00 70.13 H new ATOM 0 HD2 PHE A 15 -15.529 -11.941 -6.400 1.00 34.43 H new ATOM 0 HE1 PHE A 15 -16.359 -13.670 -10.930 1.00 13.31 H new ATOM 0 HE2 PHE A 15 -16.359 -14.233 -6.704 1.00 52.22 H new ATOM 0 HZ PHE A 15 -16.782 -15.100 -8.970 1.00 43.42 H new ATOM 208 N ASN A 16 -17.780 -8.645 -8.306 1.00 4.34 N ATOM 209 CA ASN A 16 -19.232 -8.732 -8.205 1.00 21.31 C ATOM 210 C ASN A 16 -19.903 -7.949 -9.329 1.00 33.20 C ATOM 211 O ASN A 16 -21.099 -8.102 -9.576 1.00 61.25 O ATOM 212 CB ASN A 16 -19.703 -8.204 -6.848 1.00 44.03 C ATOM 213 CG ASN A 16 -21.211 -8.255 -6.700 1.00 21.44 C ATOM 214 OD1 ASN A 16 -21.836 -7.289 -6.264 1.00 11.52 O ATOM 215 ND2 ASN A 16 -21.803 -9.388 -7.062 1.00 3.40 N ATOM 0 H ASN A 16 -17.340 -8.078 -7.581 1.00 4.34 H new ATOM 0 HA ASN A 16 -19.515 -9.780 -8.297 1.00 21.31 H new ATOM 0 HB2 ASN A 16 -19.243 -8.791 -6.053 1.00 44.03 H new ATOM 0 HB3 ASN A 16 -19.363 -7.176 -6.723 1.00 44.03 H new ATOM 0 HD21 ASN A 16 -22.816 -9.482 -6.983 1.00 3.40 H new ATOM 0 HD22 ASN A 16 -21.245 -10.164 -7.418 1.00 3.40 H new ATOM 222 N GLU A 17 -19.125 -7.111 -10.006 1.00 3.21 N ATOM 223 CA GLU A 17 -19.645 -6.304 -11.104 1.00 2.15 C ATOM 224 C GLU A 17 -19.574 -7.069 -12.422 1.00 52.31 C ATOM 225 O GLU A 17 -20.521 -7.060 -13.209 1.00 75.25 O ATOM 226 CB GLU A 17 -18.862 -4.994 -11.218 1.00 60.25 C ATOM 227 CG GLU A 17 -19.362 -3.902 -10.287 1.00 70.54 C ATOM 228 CD GLU A 17 -20.355 -2.973 -10.958 1.00 72.41 C ATOM 229 OE1 GLU A 17 -19.936 -2.193 -11.838 1.00 45.12 O ATOM 230 OE2 GLU A 17 -21.551 -3.026 -10.603 1.00 72.41 O ATOM 0 H GLU A 17 -18.133 -6.973 -9.814 1.00 3.21 H new ATOM 0 HA GLU A 17 -20.690 -6.077 -10.892 1.00 2.15 H new ATOM 0 HB2 GLU A 17 -17.811 -5.189 -11.004 1.00 60.25 H new ATOM 0 HB3 GLU A 17 -18.917 -4.636 -12.246 1.00 60.25 H new ATOM 0 HG2 GLU A 17 -19.830 -4.359 -9.415 1.00 70.54 H new ATOM 0 HG3 GLU A 17 -18.513 -3.321 -9.926 1.00 70.54 H new ATOM 237 N LEU A 18 -18.446 -7.729 -12.656 1.00 45.15 N ATOM 238 CA LEU A 18 -18.250 -8.499 -13.880 1.00 24.12 C ATOM 239 C LEU A 18 -18.874 -9.885 -13.756 1.00 71.24 C ATOM 240 O LEU A 18 -19.073 -10.580 -14.753 1.00 43.14 O ATOM 241 CB LEU A 18 -16.758 -8.626 -14.193 1.00 4.53 C ATOM 242 CG LEU A 18 -15.912 -9.353 -13.147 1.00 3.31 C ATOM 243 CD1 LEU A 18 -15.394 -10.671 -13.702 1.00 11.24 C ATOM 244 CD2 LEU A 18 -14.756 -8.474 -12.690 1.00 54.34 C ATOM 0 H LEU A 18 -17.653 -7.747 -12.015 1.00 45.15 H new ATOM 0 HA LEU A 18 -18.742 -7.970 -14.696 1.00 24.12 H new ATOM 0 HB2 LEU A 18 -16.650 -9.147 -15.144 1.00 4.53 H new ATOM 0 HB3 LEU A 18 -16.349 -7.625 -14.330 1.00 4.53 H new ATOM 0 HG LEU A 18 -16.542 -9.568 -12.284 1.00 3.31 H new ATOM 0 HD11 LEU A 18 -14.794 -11.174 -12.944 1.00 11.24 H new ATOM 0 HD12 LEU A 18 -16.236 -11.305 -13.979 1.00 11.24 H new ATOM 0 HD13 LEU A 18 -14.780 -10.479 -14.582 1.00 11.24 H new ATOM 0 HD21 LEU A 18 -14.165 -9.008 -11.946 1.00 54.34 H new ATOM 0 HD22 LEU A 18 -14.126 -8.228 -13.545 1.00 54.34 H new ATOM 0 HD23 LEU A 18 -15.148 -7.556 -12.252 1.00 54.34 H new ATOM 256 N LYS A 19 -19.184 -10.281 -12.527 1.00 32.44 N ATOM 257 CA LYS A 19 -19.790 -11.583 -12.271 1.00 41.05 C ATOM 258 C LYS A 19 -21.277 -11.567 -12.610 1.00 12.44 C ATOM 259 O LYS A 19 -21.827 -12.563 -13.079 1.00 73.13 O ATOM 260 CB LYS A 19 -19.593 -11.982 -10.807 1.00 53.31 C ATOM 261 CG LYS A 19 -20.268 -13.291 -10.437 1.00 73.14 C ATOM 262 CD LYS A 19 -20.052 -13.636 -8.974 1.00 25.44 C ATOM 263 CE LYS A 19 -19.984 -15.141 -8.760 1.00 3.20 C ATOM 264 NZ LYS A 19 -21.340 -15.750 -8.668 1.00 4.44 N ATOM 0 H LYS A 19 -19.026 -9.719 -11.691 1.00 32.44 H new ATOM 0 HA LYS A 19 -19.298 -12.317 -12.910 1.00 41.05 H new ATOM 0 HB2 LYS A 19 -18.526 -12.063 -10.602 1.00 53.31 H new ATOM 0 HB3 LYS A 19 -19.981 -11.189 -10.168 1.00 53.31 H new ATOM 0 HG2 LYS A 19 -21.336 -13.221 -10.641 1.00 73.14 H new ATOM 0 HG3 LYS A 19 -19.876 -14.093 -11.062 1.00 73.14 H new ATOM 0 HD2 LYS A 19 -19.129 -13.175 -8.623 1.00 25.44 H new ATOM 0 HD3 LYS A 19 -20.863 -13.219 -8.377 1.00 25.44 H new ATOM 0 HE2 LYS A 19 -19.435 -15.600 -9.582 1.00 3.20 H new ATOM 0 HE3 LYS A 19 -19.428 -15.353 -7.847 1.00 3.20 H new ATOM 0 HZ1 LYS A 19 -21.251 -16.776 -8.522 1.00 4.44 H new ATOM 0 HZ2 LYS A 19 -21.856 -15.330 -7.868 1.00 4.44 H new ATOM 0 HZ3 LYS A 19 -21.862 -15.570 -9.549 1.00 4.44 H new ATOM 278 N ILE A 20 -21.921 -10.430 -12.369 1.00 54.42 N ATOM 279 CA ILE A 20 -23.344 -10.284 -12.651 1.00 71.00 C ATOM 280 C ILE A 20 -23.597 -10.147 -14.149 1.00 4.24 C ATOM 281 O ILE A 20 -24.629 -10.584 -14.657 1.00 11.11 O ATOM 282 CB ILE A 20 -23.939 -9.062 -11.927 1.00 51.33 C ATOM 283 CG1 ILE A 20 -25.411 -8.884 -12.306 1.00 42.45 C ATOM 284 CG2 ILE A 20 -23.145 -7.809 -12.264 1.00 4.55 C ATOM 285 CD1 ILE A 20 -26.267 -8.357 -11.176 1.00 24.33 C ATOM 0 H ILE A 20 -21.480 -9.597 -11.979 1.00 54.42 H new ATOM 0 HA ILE A 20 -23.832 -11.187 -12.284 1.00 71.00 H new ATOM 0 HB ILE A 20 -23.878 -9.230 -10.852 1.00 51.33 H new ATOM 0 HG12 ILE A 20 -25.480 -8.200 -13.152 1.00 42.45 H new ATOM 0 HG13 ILE A 20 -25.811 -9.842 -12.637 1.00 42.45 H new ATOM 0 HG21 ILE A 20 -23.577 -6.954 -11.745 1.00 4.55 H new ATOM 0 HG22 ILE A 20 -22.110 -7.939 -11.949 1.00 4.55 H new ATOM 0 HG23 ILE A 20 -23.178 -7.635 -13.340 1.00 4.55 H new ATOM 0 HD11 ILE A 20 -27.297 -8.256 -11.517 1.00 24.33 H new ATOM 0 HD12 ILE A 20 -26.229 -9.051 -10.336 1.00 24.33 H new ATOM 0 HD13 ILE A 20 -25.893 -7.384 -10.859 1.00 24.33 H new ATOM 297 N ARG A 21 -22.646 -9.538 -14.850 1.00 61.31 N ATOM 298 CA ARG A 21 -22.765 -9.344 -16.290 1.00 63.01 C ATOM 299 C ARG A 21 -22.182 -10.532 -17.049 1.00 24.50 C ATOM 300 O ARG A 21 -22.718 -10.952 -18.075 1.00 32.14 O ATOM 301 CB ARG A 21 -22.054 -8.057 -16.713 1.00 11.11 C ATOM 302 CG ARG A 21 -23.003 -6.949 -17.139 1.00 74.13 C ATOM 303 CD ARG A 21 -23.972 -6.586 -16.025 1.00 12.11 C ATOM 304 NE ARG A 21 -24.892 -5.524 -16.424 1.00 35.50 N ATOM 305 CZ ARG A 21 -25.921 -5.713 -17.243 1.00 70.11 C ATOM 306 NH1 ARG A 21 -26.160 -6.916 -17.747 1.00 24.10 N ATOM 307 NH2 ARG A 21 -26.714 -4.697 -17.559 1.00 61.23 N ATOM 0 H ARG A 21 -21.785 -9.171 -14.444 1.00 61.31 H new ATOM 0 HA ARG A 21 -23.824 -9.263 -16.534 1.00 63.01 H new ATOM 0 HB2 ARG A 21 -21.442 -7.701 -15.884 1.00 11.11 H new ATOM 0 HB3 ARG A 21 -21.376 -8.280 -17.537 1.00 11.11 H new ATOM 0 HG2 ARG A 21 -22.429 -6.067 -17.425 1.00 74.13 H new ATOM 0 HG3 ARG A 21 -23.562 -7.266 -18.020 1.00 74.13 H new ATOM 0 HD2 ARG A 21 -24.541 -7.470 -15.738 1.00 12.11 H new ATOM 0 HD3 ARG A 21 -23.411 -6.268 -15.146 1.00 12.11 H new ATOM 0 HE ARG A 21 -24.736 -4.586 -16.054 1.00 35.50 H new ATOM 0 HH11 ARG A 21 -25.553 -7.700 -17.506 1.00 24.10 H new ATOM 0 HH12 ARG A 21 -26.951 -7.058 -18.375 1.00 24.10 H new ATOM 0 HH21 ARG A 21 -26.534 -3.770 -17.173 1.00 61.23 H new ATOM 0 HH22 ARG A 21 -27.504 -4.843 -18.188 1.00 61.23 H new ATOM 321 N LYS A 22 -21.079 -11.071 -16.538 1.00 54.23 N ATOM 322 CA LYS A 22 -20.423 -12.211 -17.166 1.00 64.20 C ATOM 323 C LYS A 22 -19.959 -11.863 -18.577 1.00 23.12 C ATOM 324 O LYS A 22 -19.592 -12.743 -19.356 1.00 72.34 O ATOM 325 CB LYS A 22 -21.371 -13.411 -17.211 1.00 75.02 C ATOM 326 CG LYS A 22 -21.957 -13.672 -18.588 1.00 51.22 C ATOM 327 CD LYS A 22 -23.293 -14.390 -18.499 1.00 53.20 C ATOM 328 CE LYS A 22 -24.027 -14.370 -19.831 1.00 42.33 C ATOM 329 NZ LYS A 22 -25.166 -13.410 -19.823 1.00 64.22 N ATOM 0 H LYS A 22 -20.621 -10.736 -15.690 1.00 54.23 H new ATOM 0 HA LYS A 22 -19.549 -12.469 -16.568 1.00 64.20 H new ATOM 0 HB2 LYS A 22 -20.834 -14.300 -16.879 1.00 75.02 H new ATOM 0 HB3 LYS A 22 -22.184 -13.247 -16.504 1.00 75.02 H new ATOM 0 HG2 LYS A 22 -22.086 -12.726 -19.115 1.00 51.22 H new ATOM 0 HG3 LYS A 22 -21.259 -14.271 -19.174 1.00 51.22 H new ATOM 0 HD2 LYS A 22 -23.132 -15.422 -18.186 1.00 53.20 H new ATOM 0 HD3 LYS A 22 -23.911 -13.918 -17.735 1.00 53.20 H new ATOM 0 HE2 LYS A 22 -23.331 -14.101 -20.625 1.00 42.33 H new ATOM 0 HE3 LYS A 22 -24.397 -15.370 -20.057 1.00 42.33 H new ATOM 0 HZ1 LYS A 22 -25.640 -13.426 -20.748 1.00 64.22 H new ATOM 0 HZ2 LYS A 22 -25.843 -13.681 -19.082 1.00 64.22 H new ATOM 0 HZ3 LYS A 22 -24.811 -12.451 -19.633 1.00 64.22 H new ATOM 343 N THR A 23 -19.975 -10.573 -18.899 1.00 74.42 N ATOM 344 CA THR A 23 -19.556 -10.109 -20.216 1.00 33.24 C ATOM 345 C THR A 23 -18.396 -9.126 -20.108 1.00 71.33 C ATOM 346 O THR A 23 -17.329 -9.344 -20.683 1.00 74.10 O ATOM 347 CB THR A 23 -20.718 -9.435 -20.969 1.00 42.45 C ATOM 348 OG1 THR A 23 -21.370 -8.487 -20.117 1.00 52.21 O ATOM 349 CG2 THR A 23 -21.724 -10.469 -21.450 1.00 73.01 C ATOM 0 H THR A 23 -20.274 -9.831 -18.266 1.00 74.42 H new ATOM 0 HA THR A 23 -19.233 -10.988 -20.774 1.00 33.24 H new ATOM 0 HB THR A 23 -20.308 -8.920 -21.838 1.00 42.45 H new ATOM 0 HG1 THR A 23 -22.197 -8.180 -20.543 1.00 52.21 H new ATOM 0 HG21 THR A 23 -22.535 -9.969 -21.979 1.00 73.01 H new ATOM 0 HG22 THR A 23 -21.231 -11.171 -22.122 1.00 73.01 H new ATOM 0 HG23 THR A 23 -22.128 -11.009 -20.594 1.00 73.01 H new ATOM 357 N VAL A 24 -18.611 -8.043 -19.368 1.00 24.20 N ATOM 358 CA VAL A 24 -17.581 -7.027 -19.184 1.00 34.02 C ATOM 359 C VAL A 24 -18.170 -5.749 -18.596 1.00 22.30 C ATOM 360 O VAL A 24 -18.630 -4.871 -19.326 1.00 33.21 O ATOM 361 CB VAL A 24 -16.879 -6.692 -20.513 1.00 54.31 C ATOM 362 CG1 VAL A 24 -17.901 -6.503 -21.624 1.00 71.51 C ATOM 363 CG2 VAL A 24 -16.012 -5.451 -20.359 1.00 74.31 C ATOM 0 H VAL A 24 -19.488 -7.847 -18.886 1.00 24.20 H new ATOM 0 HA VAL A 24 -16.849 -7.440 -18.490 1.00 34.02 H new ATOM 0 HB VAL A 24 -16.234 -7.528 -20.784 1.00 54.31 H new ATOM 0 HG11 VAL A 24 -17.386 -6.267 -22.555 1.00 71.51 H new ATOM 0 HG12 VAL A 24 -18.476 -7.421 -21.750 1.00 71.51 H new ATOM 0 HG13 VAL A 24 -18.574 -5.686 -21.364 1.00 71.51 H new ATOM 0 HG21 VAL A 24 -15.523 -5.229 -21.308 1.00 74.31 H new ATOM 0 HG22 VAL A 24 -16.635 -4.606 -20.065 1.00 74.31 H new ATOM 0 HG23 VAL A 24 -15.256 -5.628 -19.594 1.00 74.31 H new ATOM 373 N LYS A 25 -18.151 -5.651 -17.271 1.00 51.10 N ATOM 374 CA LYS A 25 -18.681 -4.480 -16.583 1.00 1.32 C ATOM 375 C LYS A 25 -17.645 -3.361 -16.537 1.00 53.22 C ATOM 376 O LYS A 25 -17.914 -2.274 -16.025 1.00 32.32 O ATOM 377 CB LYS A 25 -19.111 -4.849 -15.161 1.00 60.23 C ATOM 378 CG LYS A 25 -19.816 -3.722 -14.427 1.00 4.13 C ATOM 379 CD LYS A 25 -21.106 -4.198 -13.780 1.00 65.21 C ATOM 380 CE LYS A 25 -22.136 -3.082 -13.703 1.00 43.11 C ATOM 381 NZ LYS A 25 -23.255 -3.423 -12.782 1.00 1.54 N ATOM 0 H LYS A 25 -17.774 -6.369 -16.652 1.00 51.10 H new ATOM 0 HA LYS A 25 -19.549 -4.126 -17.138 1.00 1.32 H new ATOM 0 HB2 LYS A 25 -19.773 -5.714 -15.204 1.00 60.23 H new ATOM 0 HB3 LYS A 25 -18.232 -5.149 -14.591 1.00 60.23 H new ATOM 0 HG2 LYS A 25 -19.154 -3.314 -13.663 1.00 4.13 H new ATOM 0 HG3 LYS A 25 -20.035 -2.913 -15.124 1.00 4.13 H new ATOM 0 HD2 LYS A 25 -21.514 -5.032 -14.351 1.00 65.21 H new ATOM 0 HD3 LYS A 25 -20.896 -4.570 -12.777 1.00 65.21 H new ATOM 0 HE2 LYS A 25 -21.653 -2.165 -13.364 1.00 43.11 H new ATOM 0 HE3 LYS A 25 -22.533 -2.884 -14.699 1.00 43.11 H new ATOM 0 HZ1 LYS A 25 -24.036 -2.750 -12.920 1.00 1.54 H new ATOM 0 HZ2 LYS A 25 -23.589 -4.387 -12.984 1.00 1.54 H new ATOM 0 HZ3 LYS A 25 -22.923 -3.371 -11.798 1.00 1.54 H new ATOM 395 N TRP A 26 -16.463 -3.633 -17.077 1.00 22.22 N ATOM 396 CA TRP A 26 -15.388 -2.648 -17.099 1.00 4.14 C ATOM 397 C TRP A 26 -15.264 -1.947 -15.750 1.00 52.03 C ATOM 398 O TRP A 26 -15.816 -0.864 -15.551 1.00 24.11 O ATOM 399 CB TRP A 26 -15.634 -1.618 -18.202 1.00 52.11 C ATOM 400 CG TRP A 26 -14.742 -0.417 -18.104 1.00 72.53 C ATOM 401 CD1 TRP A 26 -13.392 -0.381 -18.308 1.00 53.44 C ATOM 402 CD2 TRP A 26 -15.137 0.919 -17.776 1.00 0.00 C ATOM 403 NE1 TRP A 26 -12.924 0.898 -18.127 1.00 12.43 N ATOM 404 CE2 TRP A 26 -13.975 1.715 -17.800 1.00 63.43 C ATOM 405 CE3 TRP A 26 -16.359 1.522 -17.466 1.00 31.50 C ATOM 406 CZ2 TRP A 26 -14.001 3.079 -17.525 1.00 52.11 C ATOM 407 CZ3 TRP A 26 -16.384 2.876 -17.193 1.00 24.13 C ATOM 408 CH2 TRP A 26 -15.211 3.643 -17.224 1.00 74.25 C ATOM 0 H TRP A 26 -16.224 -4.527 -17.506 1.00 22.22 H new ATOM 0 HA TRP A 26 -14.454 -3.171 -17.303 1.00 4.14 H new ATOM 0 HB2 TRP A 26 -15.486 -2.093 -19.172 1.00 52.11 H new ATOM 0 HB3 TRP A 26 -16.674 -1.294 -18.161 1.00 52.11 H new ATOM 0 HD1 TRP A 26 -12.782 -1.232 -18.573 1.00 53.44 H new ATOM 0 HE1 TRP A 26 -11.952 1.192 -18.221 1.00 12.43 H new ATOM 0 HE3 TRP A 26 -17.268 0.940 -17.440 1.00 31.50 H new ATOM 0 HZ2 TRP A 26 -13.098 3.671 -17.548 1.00 52.11 H new ATOM 0 HZ3 TRP A 26 -17.323 3.352 -16.952 1.00 24.13 H new ATOM 0 HH2 TRP A 26 -15.263 4.700 -17.006 1.00 74.25 H new ATOM 419 N ILE A 27 -14.538 -2.570 -14.828 1.00 71.35 N ATOM 420 CA ILE A 27 -14.342 -2.004 -13.500 1.00 32.24 C ATOM 421 C ILE A 27 -12.888 -1.598 -13.284 1.00 32.51 C ATOM 422 O ILE A 27 -11.979 -2.420 -13.403 1.00 1.15 O ATOM 423 CB ILE A 27 -14.755 -2.998 -12.398 1.00 20.01 C ATOM 424 CG1 ILE A 27 -15.992 -3.787 -12.830 1.00 73.42 C ATOM 425 CG2 ILE A 27 -15.019 -2.262 -11.093 1.00 22.34 C ATOM 426 CD1 ILE A 27 -15.684 -5.201 -13.271 1.00 64.11 C ATOM 0 H ILE A 27 -14.076 -3.467 -14.977 1.00 71.35 H new ATOM 0 HA ILE A 27 -14.976 -1.120 -13.437 1.00 32.24 H new ATOM 0 HB ILE A 27 -13.937 -3.700 -12.238 1.00 20.01 H new ATOM 0 HG12 ILE A 27 -16.700 -3.820 -12.002 1.00 73.42 H new ATOM 0 HG13 ILE A 27 -16.482 -3.259 -13.648 1.00 73.42 H new ATOM 0 HG21 ILE A 27 -15.310 -2.978 -10.324 1.00 22.34 H new ATOM 0 HG22 ILE A 27 -14.114 -1.741 -10.780 1.00 22.34 H new ATOM 0 HG23 ILE A 27 -15.822 -1.540 -11.239 1.00 22.34 H new ATOM 0 HD11 ILE A 27 -16.608 -5.700 -13.563 1.00 64.11 H new ATOM 0 HD12 ILE A 27 -15.001 -5.177 -14.120 1.00 64.11 H new ATOM 0 HD13 ILE A 27 -15.221 -5.746 -12.448 1.00 64.11 H new ATOM 438 N VAL A 28 -12.676 -0.326 -12.964 1.00 42.23 N ATOM 439 CA VAL A 28 -11.332 0.189 -12.729 1.00 13.34 C ATOM 440 C VAL A 28 -11.009 0.219 -11.239 1.00 42.21 C ATOM 441 O VAL A 28 -11.688 0.886 -10.458 1.00 52.35 O ATOM 442 CB VAL A 28 -11.165 1.607 -13.308 1.00 30.24 C ATOM 443 CG1 VAL A 28 -9.723 2.072 -13.173 1.00 71.12 C ATOM 444 CG2 VAL A 28 -11.613 1.644 -14.761 1.00 2.30 C ATOM 0 H VAL A 28 -13.417 0.367 -12.861 1.00 42.23 H new ATOM 0 HA VAL A 28 -10.641 -0.485 -13.235 1.00 13.34 H new ATOM 0 HB VAL A 28 -11.796 2.290 -12.740 1.00 30.24 H new ATOM 0 HG11 VAL A 28 -9.624 3.075 -13.587 1.00 71.12 H new ATOM 0 HG12 VAL A 28 -9.442 2.085 -12.120 1.00 71.12 H new ATOM 0 HG13 VAL A 28 -9.068 1.390 -13.715 1.00 71.12 H new ATOM 0 HG21 VAL A 28 -11.488 2.653 -15.155 1.00 2.30 H new ATOM 0 HG22 VAL A 28 -11.010 0.949 -15.346 1.00 2.30 H new ATOM 0 HG23 VAL A 28 -12.662 1.356 -14.826 1.00 2.30 H new ATOM 454 N PHE A 29 -9.966 -0.508 -10.851 1.00 12.40 N ATOM 455 CA PHE A 29 -9.552 -0.565 -9.454 1.00 21.10 C ATOM 456 C PHE A 29 -8.393 0.392 -9.190 1.00 52.15 C ATOM 457 O PHE A 29 -7.708 0.826 -10.117 1.00 22.13 O ATOM 458 CB PHE A 29 -9.145 -1.992 -9.079 1.00 10.31 C ATOM 459 CG PHE A 29 -7.749 -2.093 -8.534 1.00 61.34 C ATOM 460 CD1 PHE A 29 -6.658 -1.774 -9.326 1.00 5.41 C ATOM 461 CD2 PHE A 29 -7.528 -2.508 -7.231 1.00 61.10 C ATOM 462 CE1 PHE A 29 -5.372 -1.867 -8.827 1.00 61.15 C ATOM 463 CE2 PHE A 29 -6.244 -2.603 -6.727 1.00 34.11 C ATOM 464 CZ PHE A 29 -5.165 -2.281 -7.526 1.00 71.10 C ATOM 0 H PHE A 29 -9.393 -1.065 -11.484 1.00 12.40 H new ATOM 0 HA PHE A 29 -10.398 -0.261 -8.838 1.00 21.10 H new ATOM 0 HB2 PHE A 29 -9.845 -2.378 -8.338 1.00 10.31 H new ATOM 0 HB3 PHE A 29 -9.230 -2.629 -9.960 1.00 10.31 H new ATOM 0 HD1 PHE A 29 -6.814 -1.449 -10.344 1.00 5.41 H new ATOM 0 HD2 PHE A 29 -8.368 -2.760 -6.601 1.00 61.10 H new ATOM 0 HE1 PHE A 29 -4.530 -1.616 -9.454 1.00 61.15 H new ATOM 0 HE2 PHE A 29 -6.085 -2.929 -5.710 1.00 34.11 H new ATOM 0 HZ PHE A 29 -4.161 -2.353 -7.134 1.00 71.10 H new ATOM 474 N LYS A 30 -8.180 0.718 -7.920 1.00 54.31 N ATOM 475 CA LYS A 30 -7.105 1.623 -7.532 1.00 12.42 C ATOM 476 C LYS A 30 -6.667 1.362 -6.094 1.00 43.44 C ATOM 477 O LYS A 30 -7.482 1.393 -5.172 1.00 21.40 O ATOM 478 CB LYS A 30 -7.556 3.078 -7.683 1.00 1.14 C ATOM 479 CG LYS A 30 -6.597 4.079 -7.062 1.00 12.31 C ATOM 480 CD LYS A 30 -7.230 4.801 -5.884 1.00 21.23 C ATOM 481 CE LYS A 30 -6.284 4.862 -4.694 1.00 43.55 C ATOM 482 NZ LYS A 30 -5.589 6.177 -4.606 1.00 31.31 N ATOM 0 H LYS A 30 -8.738 0.369 -7.141 1.00 54.31 H new ATOM 0 HA LYS A 30 -6.256 1.442 -8.191 1.00 12.42 H new ATOM 0 HB2 LYS A 30 -7.670 3.306 -8.743 1.00 1.14 H new ATOM 0 HB3 LYS A 30 -8.538 3.195 -7.224 1.00 1.14 H new ATOM 0 HG2 LYS A 30 -5.695 3.564 -6.732 1.00 12.31 H new ATOM 0 HG3 LYS A 30 -6.291 4.806 -7.814 1.00 12.31 H new ATOM 0 HD2 LYS A 30 -7.507 5.812 -6.182 1.00 21.23 H new ATOM 0 HD3 LYS A 30 -8.149 4.291 -5.594 1.00 21.23 H new ATOM 0 HE2 LYS A 30 -6.843 4.684 -3.776 1.00 43.55 H new ATOM 0 HE3 LYS A 30 -5.545 4.065 -4.776 1.00 43.55 H new ATOM 0 HZ1 LYS A 30 -4.752 6.087 -3.995 1.00 31.31 H new ATOM 0 HZ2 LYS A 30 -5.293 6.478 -5.557 1.00 31.31 H new ATOM 0 HZ3 LYS A 30 -6.236 6.885 -4.205 1.00 31.31 H new ATOM 496 N ILE A 31 -5.376 1.108 -5.911 1.00 65.25 N ATOM 497 CA ILE A 31 -4.830 0.844 -4.586 1.00 3.51 C ATOM 498 C ILE A 31 -4.275 2.118 -3.957 1.00 1.01 C ATOM 499 O ILE A 31 -3.287 2.676 -4.432 1.00 5.32 O ATOM 500 CB ILE A 31 -3.715 -0.217 -4.637 1.00 31.23 C ATOM 501 CG1 ILE A 31 -2.944 -0.116 -5.954 1.00 44.51 C ATOM 502 CG2 ILE A 31 -4.302 -1.610 -4.467 1.00 35.33 C ATOM 503 CD1 ILE A 31 -1.709 -0.989 -6.000 1.00 53.44 C ATOM 0 H ILE A 31 -4.688 1.079 -6.664 1.00 65.25 H new ATOM 0 HA ILE A 31 -5.651 0.467 -3.976 1.00 3.51 H new ATOM 0 HB ILE A 31 -3.021 -0.033 -3.817 1.00 31.23 H new ATOM 0 HG12 ILE A 31 -3.605 -0.393 -6.775 1.00 44.51 H new ATOM 0 HG13 ILE A 31 -2.652 0.922 -6.116 1.00 44.51 H new ATOM 0 HG21 ILE A 31 -3.502 -2.349 -4.505 1.00 35.33 H new ATOM 0 HG22 ILE A 31 -4.811 -1.676 -3.505 1.00 35.33 H new ATOM 0 HG23 ILE A 31 -5.015 -1.805 -5.269 1.00 35.33 H new ATOM 0 HD11 ILE A 31 -1.213 -0.867 -6.963 1.00 53.44 H new ATOM 0 HD12 ILE A 31 -1.028 -0.698 -5.201 1.00 53.44 H new ATOM 0 HD13 ILE A 31 -1.996 -2.032 -5.870 1.00 53.44 H new ATOM 515 N GLU A 32 -4.917 2.571 -2.885 1.00 34.54 N ATOM 516 CA GLU A 32 -4.487 3.778 -2.190 1.00 2.10 C ATOM 517 C GLU A 32 -3.314 3.482 -1.260 1.00 31.34 C ATOM 518 O GLU A 32 -2.691 2.425 -1.347 1.00 63.21 O ATOM 519 CB GLU A 32 -5.647 4.375 -1.391 1.00 54.14 C ATOM 520 CG GLU A 32 -5.767 5.884 -1.526 1.00 63.24 C ATOM 521 CD GLU A 32 -6.187 6.554 -0.233 1.00 21.03 C ATOM 522 OE1 GLU A 32 -6.768 5.865 0.632 1.00 43.04 O ATOM 523 OE2 GLU A 32 -5.934 7.768 -0.085 1.00 11.11 O ATOM 0 H GLU A 32 -5.737 2.120 -2.479 1.00 34.54 H new ATOM 0 HA GLU A 32 -4.162 4.500 -2.939 1.00 2.10 H new ATOM 0 HB2 GLU A 32 -6.579 3.914 -1.720 1.00 54.14 H new ATOM 0 HB3 GLU A 32 -5.520 4.122 -0.338 1.00 54.14 H new ATOM 0 HG2 GLU A 32 -4.810 6.293 -1.849 1.00 63.24 H new ATOM 0 HG3 GLU A 32 -6.493 6.119 -2.305 1.00 63.24 H new ATOM 530 N ASN A 33 -3.020 4.424 -0.369 1.00 71.32 N ATOM 531 CA ASN A 33 -1.922 4.265 0.577 1.00 22.21 C ATOM 532 C ASN A 33 -2.201 3.122 1.548 1.00 34.40 C ATOM 533 O ASN A 33 -2.768 3.328 2.622 1.00 41.01 O ATOM 534 CB ASN A 33 -1.697 5.564 1.353 1.00 55.31 C ATOM 535 CG ASN A 33 -2.960 6.057 2.033 1.00 52.12 C ATOM 536 OD1 ASN A 33 -3.899 6.504 1.374 1.00 13.10 O ATOM 537 ND2 ASN A 33 -2.988 5.978 3.358 1.00 20.41 N ATOM 0 H ASN A 33 -3.527 5.305 -0.283 1.00 71.32 H new ATOM 0 HA ASN A 33 -1.021 4.026 0.012 1.00 22.21 H new ATOM 0 HB2 ASN A 33 -0.922 5.407 2.103 1.00 55.31 H new ATOM 0 HB3 ASN A 33 -1.331 6.332 0.672 1.00 55.31 H new ATOM 0 HD21 ASN A 33 -3.811 6.295 3.871 1.00 20.41 H new ATOM 0 HD22 ASN A 33 -2.187 5.600 3.863 1.00 20.41 H new ATOM 544 N THR A 34 -1.800 1.914 1.163 1.00 3.05 N ATOM 545 CA THR A 34 -2.007 0.738 1.999 1.00 61.35 C ATOM 546 C THR A 34 -3.484 0.370 2.073 1.00 34.13 C ATOM 547 O THR A 34 -4.030 0.165 3.158 1.00 50.21 O ATOM 548 CB THR A 34 -1.472 0.961 3.426 1.00 72.43 C ATOM 549 OG1 THR A 34 -0.283 1.757 3.384 1.00 22.04 O ATOM 550 CG2 THR A 34 -1.176 -0.367 4.106 1.00 30.32 C ATOM 0 H THR A 34 -1.330 1.725 0.278 1.00 3.05 H new ATOM 0 HA THR A 34 -1.454 -0.080 1.537 1.00 61.35 H new ATOM 0 HB THR A 34 -2.238 1.483 4.001 1.00 72.43 H new ATOM 0 HG1 THR A 34 0.050 1.896 4.295 1.00 22.04 H new ATOM 0 HG21 THR A 34 -0.799 -0.184 5.112 1.00 30.32 H new ATOM 0 HG22 THR A 34 -2.090 -0.959 4.162 1.00 30.32 H new ATOM 0 HG23 THR A 34 -0.426 -0.911 3.531 1.00 30.32 H new ATOM 558 N LYS A 35 -4.128 0.287 0.914 1.00 60.41 N ATOM 559 CA LYS A 35 -5.543 -0.059 0.847 1.00 40.22 C ATOM 560 C LYS A 35 -6.000 -0.200 -0.601 1.00 74.35 C ATOM 561 O LYS A 35 -5.334 0.275 -1.522 1.00 31.44 O ATOM 562 CB LYS A 35 -6.383 1.005 1.556 1.00 11.54 C ATOM 563 CG LYS A 35 -7.836 0.606 1.747 1.00 21.24 C ATOM 564 CD LYS A 35 -7.958 -0.715 2.488 1.00 31.23 C ATOM 565 CE LYS A 35 -7.267 -0.661 3.842 1.00 14.13 C ATOM 566 NZ LYS A 35 -7.785 0.453 4.684 1.00 4.05 N ATOM 0 H LYS A 35 -3.692 0.455 0.007 1.00 60.41 H new ATOM 0 HA LYS A 35 -5.682 -1.017 1.349 1.00 40.22 H new ATOM 0 HB2 LYS A 35 -5.942 1.214 2.530 1.00 11.54 H new ATOM 0 HB3 LYS A 35 -6.342 1.931 0.982 1.00 11.54 H new ATOM 0 HG2 LYS A 35 -8.358 1.385 2.302 1.00 21.24 H new ATOM 0 HG3 LYS A 35 -8.323 0.526 0.775 1.00 21.24 H new ATOM 0 HD2 LYS A 35 -9.011 -0.960 2.625 1.00 31.23 H new ATOM 0 HD3 LYS A 35 -7.521 -1.512 1.887 1.00 31.23 H new ATOM 0 HE2 LYS A 35 -7.413 -1.608 4.362 1.00 14.13 H new ATOM 0 HE3 LYS A 35 -6.194 -0.538 3.698 1.00 14.13 H new ATOM 0 HZ1 LYS A 35 -7.445 0.338 5.660 1.00 4.05 H new ATOM 0 HZ2 LYS A 35 -7.448 1.361 4.305 1.00 4.05 H new ATOM 0 HZ3 LYS A 35 -8.825 0.440 4.676 1.00 4.05 H new ATOM 580 N ILE A 36 -7.140 -0.854 -0.796 1.00 35.52 N ATOM 581 CA ILE A 36 -7.687 -1.055 -2.132 1.00 32.30 C ATOM 582 C ILE A 36 -9.060 -0.405 -2.268 1.00 20.53 C ATOM 583 O ILE A 36 -9.853 -0.401 -1.326 1.00 4.13 O ATOM 584 CB ILE A 36 -7.804 -2.553 -2.473 1.00 55.40 C ATOM 585 CG1 ILE A 36 -6.415 -3.165 -2.666 1.00 13.55 C ATOM 586 CG2 ILE A 36 -8.652 -2.747 -3.721 1.00 53.33 C ATOM 587 CD1 ILE A 36 -6.298 -4.576 -2.135 1.00 73.44 C ATOM 0 H ILE A 36 -7.703 -1.254 -0.045 1.00 35.52 H new ATOM 0 HA ILE A 36 -6.995 -0.585 -2.830 1.00 32.30 H new ATOM 0 HB ILE A 36 -8.292 -3.062 -1.642 1.00 55.40 H new ATOM 0 HG12 ILE A 36 -6.171 -3.164 -3.728 1.00 13.55 H new ATOM 0 HG13 ILE A 36 -5.677 -2.536 -2.168 1.00 13.55 H new ATOM 0 HG21 ILE A 36 -8.725 -3.810 -3.949 1.00 53.33 H new ATOM 0 HG22 ILE A 36 -9.650 -2.343 -3.549 1.00 53.33 H new ATOM 0 HG23 ILE A 36 -8.189 -2.227 -4.560 1.00 53.33 H new ATOM 0 HD11 ILE A 36 -5.287 -4.946 -2.306 1.00 73.44 H new ATOM 0 HD12 ILE A 36 -6.511 -4.581 -1.066 1.00 73.44 H new ATOM 0 HD13 ILE A 36 -7.012 -5.219 -2.650 1.00 73.44 H new ATOM 599 N VAL A 37 -9.336 0.142 -3.447 1.00 63.44 N ATOM 600 CA VAL A 37 -10.614 0.792 -3.708 1.00 53.03 C ATOM 601 C VAL A 37 -10.951 0.765 -5.195 1.00 12.11 C ATOM 602 O VAL A 37 -10.112 0.419 -6.027 1.00 10.24 O ATOM 603 CB VAL A 37 -10.611 2.253 -3.220 1.00 62.13 C ATOM 604 CG1 VAL A 37 -10.704 2.309 -1.703 1.00 53.41 C ATOM 605 CG2 VAL A 37 -9.367 2.976 -3.713 1.00 65.13 C ATOM 0 H VAL A 37 -8.691 0.148 -4.237 1.00 63.44 H new ATOM 0 HA VAL A 37 -11.371 0.234 -3.157 1.00 53.03 H new ATOM 0 HB VAL A 37 -11.484 2.758 -3.633 1.00 62.13 H new ATOM 0 HG11 VAL A 37 -10.701 3.349 -1.376 1.00 53.41 H new ATOM 0 HG12 VAL A 37 -11.627 1.829 -1.377 1.00 53.41 H new ATOM 0 HG13 VAL A 37 -9.851 1.789 -1.267 1.00 53.41 H new ATOM 0 HG21 VAL A 37 -9.381 4.007 -3.359 1.00 65.13 H new ATOM 0 HG22 VAL A 37 -8.479 2.473 -3.331 1.00 65.13 H new ATOM 0 HG23 VAL A 37 -9.349 2.967 -4.803 1.00 65.13 H new ATOM 615 N VAL A 38 -12.186 1.133 -5.523 1.00 44.31 N ATOM 616 CA VAL A 38 -12.634 1.153 -6.910 1.00 51.23 C ATOM 617 C VAL A 38 -12.757 2.582 -7.428 1.00 4.02 C ATOM 618 O VAL A 38 -13.147 3.487 -6.691 1.00 42.45 O ATOM 619 CB VAL A 38 -13.991 0.442 -7.072 1.00 2.32 C ATOM 620 CG1 VAL A 38 -14.997 0.977 -6.064 1.00 73.14 C ATOM 621 CG2 VAL A 38 -14.510 0.602 -8.493 1.00 1.33 C ATOM 0 H VAL A 38 -12.893 1.421 -4.847 1.00 44.31 H new ATOM 0 HA VAL A 38 -11.882 0.622 -7.493 1.00 51.23 H new ATOM 0 HB VAL A 38 -13.850 -0.622 -6.879 1.00 2.32 H new ATOM 0 HG11 VAL A 38 -15.950 0.463 -6.193 1.00 73.14 H new ATOM 0 HG12 VAL A 38 -14.626 0.805 -5.054 1.00 73.14 H new ATOM 0 HG13 VAL A 38 -15.137 2.046 -6.222 1.00 73.14 H new ATOM 0 HG21 VAL A 38 -15.469 0.094 -8.589 1.00 1.33 H new ATOM 0 HG22 VAL A 38 -14.637 1.661 -8.717 1.00 1.33 H new ATOM 0 HG23 VAL A 38 -13.796 0.166 -9.192 1.00 1.33 H new ATOM 631 N GLU A 39 -12.421 2.776 -8.699 1.00 60.04 N ATOM 632 CA GLU A 39 -12.493 4.096 -9.315 1.00 75.21 C ATOM 633 C GLU A 39 -13.714 4.206 -10.224 1.00 72.21 C ATOM 634 O GLU A 39 -14.514 5.134 -10.100 1.00 64.12 O ATOM 635 CB GLU A 39 -11.221 4.380 -10.115 1.00 43.33 C ATOM 636 CG GLU A 39 -9.957 4.370 -9.272 1.00 64.23 C ATOM 637 CD GLU A 39 -9.663 5.718 -8.644 1.00 41.44 C ATOM 638 OE1 GLU A 39 -10.596 6.544 -8.550 1.00 24.34 O ATOM 639 OE2 GLU A 39 -8.501 5.949 -8.248 1.00 74.31 O ATOM 0 H GLU A 39 -12.096 2.037 -9.322 1.00 60.04 H new ATOM 0 HA GLU A 39 -12.586 4.835 -8.520 1.00 75.21 H new ATOM 0 HB2 GLU A 39 -11.126 3.636 -10.906 1.00 43.33 H new ATOM 0 HB3 GLU A 39 -11.316 5.351 -10.600 1.00 43.33 H new ATOM 0 HG2 GLU A 39 -10.055 3.621 -8.486 1.00 64.23 H new ATOM 0 HG3 GLU A 39 -9.113 4.071 -9.893 1.00 64.23 H new ATOM 646 N LYS A 40 -13.851 3.252 -11.139 1.00 31.21 N ATOM 647 CA LYS A 40 -14.973 3.239 -12.069 1.00 75.15 C ATOM 648 C LYS A 40 -15.753 1.932 -11.964 1.00 64.21 C ATOM 649 O LYS A 40 -15.281 0.964 -11.368 1.00 31.53 O ATOM 650 CB LYS A 40 -14.476 3.434 -13.503 1.00 41.25 C ATOM 651 CG LYS A 40 -14.204 4.885 -13.861 1.00 3.25 C ATOM 652 CD LYS A 40 -12.764 5.091 -14.300 1.00 24.33 C ATOM 653 CE LYS A 40 -11.827 5.196 -13.106 1.00 45.13 C ATOM 654 NZ LYS A 40 -10.730 6.174 -13.347 1.00 0.42 N ATOM 0 H LYS A 40 -13.198 2.477 -11.256 1.00 31.21 H new ATOM 0 HA LYS A 40 -15.639 4.061 -11.806 1.00 75.15 H new ATOM 0 HB2 LYS A 40 -13.562 2.857 -13.644 1.00 41.25 H new ATOM 0 HB3 LYS A 40 -15.217 3.031 -14.193 1.00 41.25 H new ATOM 0 HG2 LYS A 40 -14.877 5.196 -14.660 1.00 3.25 H new ATOM 0 HG3 LYS A 40 -14.417 5.519 -13.000 1.00 3.25 H new ATOM 0 HD2 LYS A 40 -12.454 4.261 -14.935 1.00 24.33 H new ATOM 0 HD3 LYS A 40 -12.692 5.997 -14.901 1.00 24.33 H new ATOM 0 HE2 LYS A 40 -12.394 5.496 -12.225 1.00 45.13 H new ATOM 0 HE3 LYS A 40 -11.400 4.216 -12.892 1.00 45.13 H new ATOM 0 HZ1 LYS A 40 -9.837 5.793 -12.975 1.00 0.42 H new ATOM 0 HZ2 LYS A 40 -10.635 6.344 -14.369 1.00 0.42 H new ATOM 0 HZ3 LYS A 40 -10.951 7.069 -12.866 1.00 0.42 H new ATOM 668 N ASP A 41 -16.946 1.911 -12.548 1.00 2.13 N ATOM 669 CA ASP A 41 -17.789 0.722 -12.522 1.00 31.34 C ATOM 670 C ASP A 41 -19.151 1.007 -13.146 1.00 52.53 C ATOM 671 O ASP A 41 -19.822 1.972 -12.782 1.00 54.01 O ATOM 672 CB ASP A 41 -17.967 0.228 -11.085 1.00 24.30 C ATOM 673 CG ASP A 41 -18.045 1.366 -10.087 1.00 3.12 C ATOM 674 OD1 ASP A 41 -19.143 1.937 -9.924 1.00 1.24 O ATOM 675 OD2 ASP A 41 -17.007 1.687 -9.469 1.00 72.45 O ATOM 0 H ASP A 41 -17.351 2.704 -13.045 1.00 2.13 H new ATOM 0 HA ASP A 41 -17.296 -0.054 -13.107 1.00 31.34 H new ATOM 0 HB2 ASP A 41 -18.875 -0.371 -11.020 1.00 24.30 H new ATOM 0 HB3 ASP A 41 -17.135 -0.425 -10.823 1.00 24.30 H new ATOM 680 N GLY A 42 -19.553 0.162 -14.091 1.00 21.14 N ATOM 681 CA GLY A 42 -20.832 0.342 -14.752 1.00 32.42 C ATOM 682 C GLY A 42 -20.739 0.162 -16.254 1.00 22.30 C ATOM 683 O GLY A 42 -21.404 0.865 -17.014 1.00 52.51 O ATOM 0 H GLY A 42 -19.015 -0.644 -14.410 1.00 21.14 H new ATOM 0 HA2 GLY A 42 -21.550 -0.371 -14.348 1.00 32.42 H new ATOM 0 HA3 GLY A 42 -21.214 1.339 -14.532 1.00 32.42 H new ATOM 687 N LYS A 43 -19.909 -0.783 -16.685 1.00 12.33 N ATOM 688 CA LYS A 43 -19.730 -1.054 -18.106 1.00 45.20 C ATOM 689 C LYS A 43 -19.164 0.167 -18.825 1.00 70.45 C ATOM 690 O LYS A 43 -19.330 1.298 -18.373 1.00 11.43 O ATOM 691 CB LYS A 43 -21.061 -1.462 -18.741 1.00 1.32 C ATOM 692 CG LYS A 43 -21.310 -2.960 -18.723 1.00 5.00 C ATOM 693 CD LYS A 43 -22.221 -3.388 -19.861 1.00 12.51 C ATOM 694 CE LYS A 43 -22.262 -4.901 -20.004 1.00 22.31 C ATOM 695 NZ LYS A 43 -22.111 -5.329 -21.422 1.00 42.33 N ATOM 0 H LYS A 43 -19.350 -1.374 -16.070 1.00 12.33 H new ATOM 0 HA LYS A 43 -19.020 -1.875 -18.207 1.00 45.20 H new ATOM 0 HB2 LYS A 43 -21.874 -0.961 -18.215 1.00 1.32 H new ATOM 0 HB3 LYS A 43 -21.085 -1.111 -19.773 1.00 1.32 H new ATOM 0 HG2 LYS A 43 -20.360 -3.489 -18.798 1.00 5.00 H new ATOM 0 HG3 LYS A 43 -21.758 -3.244 -17.771 1.00 5.00 H new ATOM 0 HD2 LYS A 43 -23.228 -3.011 -19.683 1.00 12.51 H new ATOM 0 HD3 LYS A 43 -21.874 -2.943 -20.793 1.00 12.51 H new ATOM 0 HE2 LYS A 43 -21.467 -5.344 -19.404 1.00 22.31 H new ATOM 0 HE3 LYS A 43 -23.206 -5.277 -19.610 1.00 22.31 H new ATOM 0 HZ1 LYS A 43 -22.144 -6.367 -21.477 1.00 42.33 H new ATOM 0 HZ2 LYS A 43 -22.884 -4.927 -21.990 1.00 42.33 H new ATOM 0 HZ3 LYS A 43 -21.199 -4.992 -21.791 1.00 42.33 H new ATOM 709 N GLY A 44 -18.496 -0.072 -19.950 1.00 50.32 N ATOM 710 CA GLY A 44 -17.918 1.018 -20.715 1.00 3.05 C ATOM 711 C GLY A 44 -17.024 0.529 -21.837 1.00 73.31 C ATOM 712 O GLY A 44 -16.860 1.208 -22.850 1.00 34.24 O ATOM 0 H GLY A 44 -18.345 -1.000 -20.345 1.00 50.32 H new ATOM 0 HA2 GLY A 44 -18.718 1.629 -21.132 1.00 3.05 H new ATOM 0 HA3 GLY A 44 -17.341 1.660 -20.049 1.00 3.05 H new ATOM 716 N ASN A 45 -16.444 -0.653 -21.657 1.00 24.23 N ATOM 717 CA ASN A 45 -15.560 -1.232 -22.662 1.00 42.11 C ATOM 718 C ASN A 45 -14.276 -0.418 -22.791 1.00 22.01 C ATOM 719 O ASN A 45 -14.001 0.461 -21.974 1.00 75.14 O ATOM 720 CB ASN A 45 -16.270 -1.303 -24.016 1.00 1.45 C ATOM 721 CG ASN A 45 -17.719 -1.731 -23.886 1.00 51.44 C ATOM 722 OD1 ASN A 45 -18.613 -1.118 -24.470 1.00 72.14 O ATOM 723 ND2 ASN A 45 -17.958 -2.787 -23.118 1.00 65.11 N ATOM 0 H ASN A 45 -16.570 -1.229 -20.825 1.00 24.23 H new ATOM 0 HA ASN A 45 -15.299 -2.241 -22.342 1.00 42.11 H new ATOM 0 HB2 ASN A 45 -16.224 -0.327 -24.499 1.00 1.45 H new ATOM 0 HB3 ASN A 45 -15.743 -2.004 -24.663 1.00 1.45 H new ATOM 0 HD21 ASN A 45 -18.914 -3.121 -22.993 1.00 65.11 H new ATOM 0 HD22 ASN A 45 -17.186 -3.265 -22.653 1.00 65.11 H new ATOM 730 N ALA A 46 -13.493 -0.717 -23.822 1.00 70.24 N ATOM 731 CA ALA A 46 -12.240 -0.012 -24.060 1.00 64.10 C ATOM 732 C ALA A 46 -12.483 1.473 -24.305 1.00 52.15 C ATOM 733 O ALA A 46 -11.617 2.306 -24.039 1.00 10.31 O ATOM 734 CB ALA A 46 -11.502 -0.630 -25.239 1.00 2.24 C ATOM 0 H ALA A 46 -13.705 -1.443 -24.506 1.00 70.24 H new ATOM 0 HA ALA A 46 -11.622 -0.109 -23.167 1.00 64.10 H new ATOM 0 HB1 ALA A 46 -10.568 -0.093 -25.405 1.00 2.24 H new ATOM 0 HB2 ALA A 46 -11.286 -1.677 -25.025 1.00 2.24 H new ATOM 0 HB3 ALA A 46 -12.123 -0.563 -26.132 1.00 2.24 H new ATOM 740 N ASP A 47 -13.666 1.797 -24.815 1.00 53.33 N ATOM 741 CA ASP A 47 -14.024 3.183 -25.097 1.00 21.24 C ATOM 742 C ASP A 47 -13.843 4.053 -23.857 1.00 14.03 C ATOM 743 O ASP A 47 -13.238 5.122 -23.921 1.00 1.33 O ATOM 744 CB ASP A 47 -15.469 3.269 -25.589 1.00 73.13 C ATOM 745 CG ASP A 47 -15.692 4.437 -26.529 1.00 41.24 C ATOM 746 OD1 ASP A 47 -14.963 4.533 -27.539 1.00 12.02 O ATOM 747 OD2 ASP A 47 -16.594 5.256 -26.255 1.00 52.33 O ATOM 0 H ASP A 47 -14.394 1.119 -25.042 1.00 53.33 H new ATOM 0 HA ASP A 47 -13.360 3.552 -25.879 1.00 21.24 H new ATOM 0 HB2 ASP A 47 -15.732 2.342 -26.098 1.00 73.13 H new ATOM 0 HB3 ASP A 47 -16.136 3.363 -24.732 1.00 73.13 H new ATOM 752 N GLU A 48 -14.374 3.587 -22.730 1.00 50.04 N ATOM 753 CA GLU A 48 -14.273 4.325 -21.477 1.00 25.44 C ATOM 754 C GLU A 48 -12.937 4.051 -20.791 1.00 30.11 C ATOM 755 O GLU A 48 -12.352 4.938 -20.169 1.00 52.44 O ATOM 756 CB GLU A 48 -15.424 3.948 -20.543 1.00 35.33 C ATOM 757 CG GLU A 48 -16.796 4.086 -21.182 1.00 31.43 C ATOM 758 CD GLU A 48 -17.073 5.494 -21.670 1.00 14.22 C ATOM 759 OE1 GLU A 48 -17.585 6.309 -20.874 1.00 35.43 O ATOM 760 OE2 GLU A 48 -16.778 5.782 -22.849 1.00 25.14 O ATOM 0 H GLU A 48 -14.878 2.703 -22.660 1.00 50.04 H new ATOM 0 HA GLU A 48 -14.334 5.389 -21.706 1.00 25.44 H new ATOM 0 HB2 GLU A 48 -15.289 2.919 -20.211 1.00 35.33 H new ATOM 0 HB3 GLU A 48 -15.381 4.578 -19.655 1.00 35.33 H new ATOM 0 HG2 GLU A 48 -16.874 3.393 -22.020 1.00 31.43 H new ATOM 0 HG3 GLU A 48 -17.560 3.799 -20.459 1.00 31.43 H new ATOM 767 N PHE A 49 -12.461 2.816 -20.908 1.00 65.03 N ATOM 768 CA PHE A 49 -11.195 2.424 -20.299 1.00 71.30 C ATOM 769 C PHE A 49 -10.041 3.245 -20.866 1.00 23.11 C ATOM 770 O PHE A 49 -9.095 3.581 -20.153 1.00 12.22 O ATOM 771 CB PHE A 49 -10.935 0.933 -20.527 1.00 14.12 C ATOM 772 CG PHE A 49 -9.724 0.418 -19.803 1.00 13.10 C ATOM 773 CD1 PHE A 49 -9.443 0.835 -18.512 1.00 43.42 C ATOM 774 CD2 PHE A 49 -8.867 -0.483 -20.414 1.00 0.02 C ATOM 775 CE1 PHE A 49 -8.329 0.363 -17.843 1.00 52.21 C ATOM 776 CE2 PHE A 49 -7.752 -0.959 -19.750 1.00 14.14 C ATOM 777 CZ PHE A 49 -7.482 -0.534 -18.463 1.00 74.42 C ATOM 0 H PHE A 49 -12.932 2.069 -21.419 1.00 65.03 H new ATOM 0 HA PHE A 49 -11.262 2.615 -19.228 1.00 71.30 H new ATOM 0 HB2 PHE A 49 -11.809 0.367 -20.205 1.00 14.12 H new ATOM 0 HB3 PHE A 49 -10.814 0.753 -21.595 1.00 14.12 H new ATOM 0 HD1 PHE A 49 -10.102 1.537 -18.023 1.00 43.42 H new ATOM 0 HD2 PHE A 49 -9.072 -0.817 -21.420 1.00 0.02 H new ATOM 0 HE1 PHE A 49 -8.122 0.696 -16.837 1.00 52.21 H new ATOM 0 HE2 PHE A 49 -7.092 -1.662 -20.237 1.00 14.14 H new ATOM 0 HZ PHE A 49 -6.610 -0.903 -17.943 1.00 74.42 H new ATOM 787 N ARG A 50 -10.126 3.564 -22.153 1.00 64.33 N ATOM 788 CA ARG A 50 -9.088 4.344 -22.817 1.00 71.33 C ATOM 789 C ARG A 50 -9.353 5.839 -22.668 1.00 70.05 C ATOM 790 O ARG A 50 -8.490 6.665 -22.962 1.00 60.03 O ATOM 791 CB ARG A 50 -9.012 3.973 -24.300 1.00 1.44 C ATOM 792 CG ARG A 50 -10.108 4.605 -25.142 1.00 43.23 C ATOM 793 CD ARG A 50 -9.646 5.912 -25.768 1.00 62.12 C ATOM 794 NE ARG A 50 -10.261 6.141 -27.073 1.00 1.43 N ATOM 795 CZ ARG A 50 -11.549 6.420 -27.239 1.00 40.11 C ATOM 796 NH1 ARG A 50 -12.354 6.504 -26.189 1.00 24.34 N ATOM 797 NH2 ARG A 50 -12.034 6.616 -28.458 1.00 55.33 N ATOM 0 H ARG A 50 -10.903 3.295 -22.757 1.00 64.33 H new ATOM 0 HA ARG A 50 -8.134 4.113 -22.342 1.00 71.33 H new ATOM 0 HB2 ARG A 50 -8.042 4.278 -24.693 1.00 1.44 H new ATOM 0 HB3 ARG A 50 -9.069 2.889 -24.398 1.00 1.44 H new ATOM 0 HG2 ARG A 50 -10.411 3.912 -25.927 1.00 43.23 H new ATOM 0 HG3 ARG A 50 -10.985 4.788 -24.522 1.00 43.23 H new ATOM 0 HD2 ARG A 50 -9.890 6.739 -25.102 1.00 62.12 H new ATOM 0 HD3 ARG A 50 -8.561 5.899 -25.876 1.00 62.12 H new ATOM 0 HE ARG A 50 -9.669 6.084 -27.902 1.00 1.43 H new ATOM 0 HH11 ARG A 50 -11.985 6.354 -25.250 1.00 24.34 H new ATOM 0 HH12 ARG A 50 -13.343 6.718 -26.320 1.00 24.34 H new ATOM 0 HH21 ARG A 50 -11.418 6.552 -29.268 1.00 55.33 H new ATOM 0 HH22 ARG A 50 -13.023 6.830 -28.585 1.00 55.33 H new ATOM 811 N GLY A 51 -10.554 6.179 -22.210 1.00 41.52 N ATOM 812 CA GLY A 51 -10.911 7.575 -22.031 1.00 74.51 C ATOM 813 C GLY A 51 -11.151 7.930 -20.577 1.00 72.51 C ATOM 814 O GLY A 51 -11.658 9.008 -20.270 1.00 2.10 O ATOM 0 H GLY A 51 -11.286 5.514 -21.960 1.00 41.52 H new ATOM 0 HA2 GLY A 51 -10.115 8.204 -22.429 1.00 74.51 H new ATOM 0 HA3 GLY A 51 -11.809 7.794 -22.608 1.00 74.51 H new ATOM 818 N ALA A 52 -10.788 7.019 -19.680 1.00 2.24 N ATOM 819 CA ALA A 52 -10.966 7.242 -18.250 1.00 60.02 C ATOM 820 C ALA A 52 -9.648 7.077 -17.500 1.00 75.24 C ATOM 821 O ALA A 52 -9.264 7.934 -16.704 1.00 1.11 O ATOM 822 CB ALA A 52 -12.015 6.290 -17.694 1.00 63.04 C ATOM 0 H ALA A 52 -10.369 6.120 -19.918 1.00 2.24 H new ATOM 0 HA ALA A 52 -11.309 8.267 -18.107 1.00 60.02 H new ATOM 0 HB1 ALA A 52 -12.138 6.468 -16.626 1.00 63.04 H new ATOM 0 HB2 ALA A 52 -12.965 6.459 -18.201 1.00 63.04 H new ATOM 0 HB3 ALA A 52 -11.695 5.261 -17.856 1.00 63.04 H new ATOM 828 N LEU A 53 -8.961 5.970 -17.759 1.00 43.21 N ATOM 829 CA LEU A 53 -7.685 5.692 -17.108 1.00 13.13 C ATOM 830 C LEU A 53 -6.743 6.886 -17.223 1.00 14.34 C ATOM 831 O LEU A 53 -6.220 7.195 -18.294 1.00 35.04 O ATOM 832 CB LEU A 53 -7.034 4.453 -17.725 1.00 53.33 C ATOM 833 CG LEU A 53 -6.416 3.459 -16.742 1.00 34.14 C ATOM 834 CD1 LEU A 53 -5.251 4.095 -16.000 1.00 53.51 C ATOM 835 CD2 LEU A 53 -7.466 2.958 -15.760 1.00 62.31 C ATOM 0 H LEU A 53 -9.266 5.251 -18.415 1.00 43.21 H new ATOM 0 HA LEU A 53 -7.878 5.505 -16.052 1.00 13.13 H new ATOM 0 HB2 LEU A 53 -7.785 3.929 -18.316 1.00 53.33 H new ATOM 0 HB3 LEU A 53 -6.257 4.781 -18.415 1.00 53.33 H new ATOM 0 HG LEU A 53 -6.038 2.607 -17.307 1.00 34.14 H new ATOM 0 HD11 LEU A 53 -4.824 3.372 -15.305 1.00 53.51 H new ATOM 0 HD12 LEU A 53 -4.489 4.404 -16.716 1.00 53.51 H new ATOM 0 HD13 LEU A 53 -5.604 4.966 -15.447 1.00 53.51 H new ATOM 0 HD21 LEU A 53 -7.009 2.251 -15.068 1.00 62.31 H new ATOM 0 HD22 LEU A 53 -7.874 3.801 -15.202 1.00 62.31 H new ATOM 0 HD23 LEU A 53 -8.268 2.463 -16.307 1.00 62.31 H new ATOM 847 N PRO A 54 -6.519 7.574 -16.093 1.00 51.22 N ATOM 848 CA PRO A 54 -5.637 8.744 -16.041 1.00 21.24 C ATOM 849 C PRO A 54 -4.169 8.371 -16.221 1.00 53.53 C ATOM 850 O PRO A 54 -3.707 7.358 -15.698 1.00 12.45 O ATOM 851 CB PRO A 54 -5.877 9.306 -14.637 1.00 50.34 C ATOM 852 CG PRO A 54 -6.335 8.138 -13.834 1.00 43.21 C ATOM 853 CD PRO A 54 -7.109 7.263 -14.780 1.00 61.34 C ATOM 0 HA PRO A 54 -5.851 9.452 -16.841 1.00 21.24 H new ATOM 0 HB2 PRO A 54 -4.966 9.738 -14.223 1.00 50.34 H new ATOM 0 HB3 PRO A 54 -6.628 10.096 -14.650 1.00 50.34 H new ATOM 0 HG2 PRO A 54 -5.487 7.600 -13.410 1.00 43.21 H new ATOM 0 HG3 PRO A 54 -6.959 8.459 -13.000 1.00 43.21 H new ATOM 0 HD2 PRO A 54 -7.001 6.207 -14.531 1.00 61.34 H new ATOM 0 HD3 PRO A 54 -8.175 7.489 -14.755 1.00 61.34 H new ATOM 861 N ALA A 55 -3.441 9.198 -16.966 1.00 34.44 N ATOM 862 CA ALA A 55 -2.025 8.956 -17.213 1.00 34.01 C ATOM 863 C ALA A 55 -1.174 9.436 -16.042 1.00 61.43 C ATOM 864 O ALA A 55 0.023 9.158 -15.979 1.00 12.25 O ATOM 865 CB ALA A 55 -1.590 9.641 -18.500 1.00 71.30 C ATOM 0 H ALA A 55 -3.809 10.040 -17.408 1.00 34.44 H new ATOM 0 HA ALA A 55 -1.878 7.881 -17.319 1.00 34.01 H new ATOM 0 HB1 ALA A 55 -0.530 9.452 -18.672 1.00 71.30 H new ATOM 0 HB2 ALA A 55 -2.169 9.248 -19.335 1.00 71.30 H new ATOM 0 HB3 ALA A 55 -1.758 10.715 -18.416 1.00 71.30 H new ATOM 871 N ASN A 56 -1.800 10.157 -15.118 1.00 44.51 N ATOM 872 CA ASN A 56 -1.098 10.677 -13.950 1.00 31.02 C ATOM 873 C ASN A 56 -0.883 9.580 -12.912 1.00 30.50 C ATOM 874 O ASN A 56 0.022 9.665 -12.082 1.00 31.04 O ATOM 875 CB ASN A 56 -1.884 11.834 -13.330 1.00 33.23 C ATOM 876 CG ASN A 56 -3.339 11.480 -13.087 1.00 41.15 C ATOM 877 OD1 ASN A 56 -4.224 11.897 -13.835 1.00 45.13 O ATOM 878 ND2 ASN A 56 -3.593 10.707 -12.038 1.00 1.42 N ATOM 0 H ASN A 56 -2.791 10.394 -15.155 1.00 44.51 H new ATOM 0 HA ASN A 56 -0.124 11.041 -14.275 1.00 31.02 H new ATOM 0 HB2 ASN A 56 -1.420 12.120 -12.386 1.00 33.23 H new ATOM 0 HB3 ASN A 56 -1.829 12.701 -13.988 1.00 33.23 H new ATOM 0 HD21 ASN A 56 -4.553 10.436 -11.825 1.00 1.42 H new ATOM 0 HD22 ASN A 56 -2.828 10.384 -11.445 1.00 1.42 H new ATOM 885 N ASP A 57 -1.720 8.550 -12.966 1.00 73.41 N ATOM 886 CA ASP A 57 -1.621 7.434 -12.032 1.00 73.12 C ATOM 887 C ASP A 57 -1.779 6.102 -12.759 1.00 22.35 C ATOM 888 O ASP A 57 -1.906 6.062 -13.983 1.00 11.31 O ATOM 889 CB ASP A 57 -2.683 7.561 -10.938 1.00 44.12 C ATOM 890 CG ASP A 57 -2.075 7.703 -9.556 1.00 75.33 C ATOM 891 OD1 ASP A 57 -1.220 8.594 -9.372 1.00 64.33 O ATOM 892 OD2 ASP A 57 -2.457 6.923 -8.658 1.00 43.25 O ATOM 0 H ASP A 57 -2.475 8.464 -13.647 1.00 73.41 H new ATOM 0 HA ASP A 57 -0.633 7.462 -11.573 1.00 73.12 H new ATOM 0 HB2 ASP A 57 -3.313 8.426 -11.146 1.00 44.12 H new ATOM 0 HB3 ASP A 57 -3.329 6.684 -10.959 1.00 44.12 H new ATOM 897 N CYS A 58 -1.768 5.014 -11.997 1.00 31.33 N ATOM 898 CA CYS A 58 -1.908 3.679 -12.568 1.00 21.20 C ATOM 899 C CYS A 58 -3.208 3.025 -12.111 1.00 3.13 C ATOM 900 O CYS A 58 -3.619 3.176 -10.960 1.00 41.21 O ATOM 901 CB CYS A 58 -0.717 2.805 -12.173 1.00 23.04 C ATOM 902 SG CYS A 58 -1.020 1.029 -12.328 1.00 12.35 S ATOM 0 H CYS A 58 -1.664 5.030 -10.982 1.00 31.33 H new ATOM 0 HA CYS A 58 -1.934 3.776 -13.653 1.00 21.20 H new ATOM 0 HB2 CYS A 58 0.138 3.072 -12.794 1.00 23.04 H new ATOM 0 HB3 CYS A 58 -0.443 3.027 -11.142 1.00 23.04 H new ATOM 0 HG CYS A 58 -1.418 0.555 -11.185 1.00 12.35 H new ATOM 908 N ARG A 59 -3.851 2.300 -13.020 1.00 21.33 N ATOM 909 CA ARG A 59 -5.106 1.625 -12.711 1.00 1.25 C ATOM 910 C ARG A 59 -5.427 0.566 -13.761 1.00 53.31 C ATOM 911 O ARG A 59 -5.235 0.785 -14.957 1.00 52.24 O ATOM 912 CB ARG A 59 -6.248 2.640 -12.628 1.00 22.23 C ATOM 913 CG ARG A 59 -6.512 3.145 -11.219 1.00 14.50 C ATOM 914 CD ARG A 59 -6.271 4.643 -11.110 1.00 73.02 C ATOM 915 NE ARG A 59 -7.515 5.405 -11.190 1.00 62.21 N ATOM 916 CZ ARG A 59 -7.602 6.701 -10.913 1.00 23.13 C ATOM 917 NH1 ARG A 59 -6.523 7.376 -10.540 1.00 14.14 N ATOM 918 NH2 ARG A 59 -8.769 7.324 -11.009 1.00 11.43 N ATOM 0 H ARG A 59 -3.524 2.165 -13.977 1.00 21.33 H new ATOM 0 HA ARG A 59 -4.996 1.132 -11.745 1.00 1.25 H new ATOM 0 HB2 ARG A 59 -6.016 3.489 -13.272 1.00 22.23 H new ATOM 0 HB3 ARG A 59 -7.158 2.183 -13.018 1.00 22.23 H new ATOM 0 HG2 ARG A 59 -7.540 2.919 -10.937 1.00 14.50 H new ATOM 0 HG3 ARG A 59 -5.866 2.619 -10.516 1.00 14.50 H new ATOM 0 HD2 ARG A 59 -5.772 4.862 -10.166 1.00 73.02 H new ATOM 0 HD3 ARG A 59 -5.599 4.961 -11.907 1.00 73.02 H new ATOM 0 HE ARG A 59 -8.363 4.915 -11.474 1.00 62.21 H new ATOM 0 HH11 ARG A 59 -5.624 6.900 -10.465 1.00 14.14 H new ATOM 0 HH12 ARG A 59 -6.592 8.371 -10.328 1.00 14.14 H new ATOM 0 HH21 ARG A 59 -9.601 6.808 -11.296 1.00 11.43 H new ATOM 0 HH22 ARG A 59 -8.835 8.319 -10.796 1.00 11.43 H new ATOM 932 N PHE A 60 -5.917 -0.582 -13.306 1.00 21.13 N ATOM 933 CA PHE A 60 -6.263 -1.676 -14.206 1.00 15.13 C ATOM 934 C PHE A 60 -7.758 -1.978 -14.144 1.00 22.31 C ATOM 935 O PHE A 60 -8.398 -1.790 -13.111 1.00 13.34 O ATOM 936 CB PHE A 60 -5.463 -2.930 -13.850 1.00 64.33 C ATOM 937 CG PHE A 60 -6.064 -3.727 -12.728 1.00 61.31 C ATOM 938 CD1 PHE A 60 -7.238 -4.438 -12.917 1.00 61.44 C ATOM 939 CD2 PHE A 60 -5.455 -3.766 -11.484 1.00 42.13 C ATOM 940 CE1 PHE A 60 -7.794 -5.172 -11.886 1.00 44.12 C ATOM 941 CE2 PHE A 60 -6.006 -4.498 -10.449 1.00 64.13 C ATOM 942 CZ PHE A 60 -7.176 -5.203 -10.651 1.00 51.20 C ATOM 0 H PHE A 60 -6.084 -0.779 -12.319 1.00 21.13 H new ATOM 0 HA PHE A 60 -6.013 -1.371 -15.222 1.00 15.13 H new ATOM 0 HB2 PHE A 60 -5.384 -3.564 -14.733 1.00 64.33 H new ATOM 0 HB3 PHE A 60 -4.449 -2.639 -13.575 1.00 64.33 H new ATOM 0 HD1 PHE A 60 -7.724 -4.419 -13.881 1.00 61.44 H new ATOM 0 HD2 PHE A 60 -4.539 -3.218 -11.321 1.00 42.13 H new ATOM 0 HE1 PHE A 60 -8.710 -5.721 -12.046 1.00 44.12 H new ATOM 0 HE2 PHE A 60 -5.522 -4.519 -9.484 1.00 64.13 H new ATOM 0 HZ PHE A 60 -7.607 -5.778 -9.845 1.00 51.20 H new ATOM 952 N GLY A 61 -8.307 -2.449 -15.260 1.00 12.33 N ATOM 953 CA GLY A 61 -9.722 -2.769 -15.312 1.00 64.23 C ATOM 954 C GLY A 61 -9.982 -4.260 -15.233 1.00 65.42 C ATOM 955 O GLY A 61 -9.109 -5.068 -15.554 1.00 14.02 O ATOM 0 H GLY A 61 -7.798 -2.615 -16.128 1.00 12.33 H new ATOM 0 HA2 GLY A 61 -10.235 -2.270 -14.490 1.00 64.23 H new ATOM 0 HA3 GLY A 61 -10.146 -2.378 -16.237 1.00 64.23 H new ATOM 959 N VAL A 62 -11.184 -4.628 -14.803 1.00 55.02 N ATOM 960 CA VAL A 62 -11.557 -6.032 -14.682 1.00 61.40 C ATOM 961 C VAL A 62 -12.701 -6.381 -15.627 1.00 52.01 C ATOM 962 O VAL A 62 -13.734 -5.710 -15.643 1.00 25.11 O ATOM 963 CB VAL A 62 -11.972 -6.381 -13.240 1.00 51.43 C ATOM 964 CG1 VAL A 62 -11.408 -7.734 -12.834 1.00 54.31 C ATOM 965 CG2 VAL A 62 -11.517 -5.294 -12.278 1.00 53.31 C ATOM 0 H VAL A 62 -11.917 -3.973 -14.532 1.00 55.02 H new ATOM 0 HA VAL A 62 -10.677 -6.617 -14.950 1.00 61.40 H new ATOM 0 HB VAL A 62 -13.060 -6.441 -13.198 1.00 51.43 H new ATOM 0 HG11 VAL A 62 -11.712 -7.963 -11.813 1.00 54.31 H new ATOM 0 HG12 VAL A 62 -11.788 -8.503 -13.507 1.00 54.31 H new ATOM 0 HG13 VAL A 62 -10.320 -7.707 -12.891 1.00 54.31 H new ATOM 0 HG21 VAL A 62 -11.818 -5.556 -11.264 1.00 53.31 H new ATOM 0 HG22 VAL A 62 -10.432 -5.201 -12.322 1.00 53.31 H new ATOM 0 HG23 VAL A 62 -11.974 -4.345 -12.558 1.00 53.31 H new ATOM 975 N TYR A 63 -12.511 -7.435 -16.413 1.00 55.55 N ATOM 976 CA TYR A 63 -13.527 -7.872 -17.364 1.00 12.13 C ATOM 977 C TYR A 63 -13.551 -9.393 -17.474 1.00 21.40 C ATOM 978 O TYR A 63 -12.589 -10.009 -17.934 1.00 1.31 O ATOM 979 CB TYR A 63 -13.269 -7.254 -18.739 1.00 12.32 C ATOM 980 CG TYR A 63 -12.172 -6.214 -18.739 1.00 3.32 C ATOM 981 CD1 TYR A 63 -12.456 -4.875 -18.501 1.00 10.25 C ATOM 982 CD2 TYR A 63 -10.850 -6.570 -18.976 1.00 62.41 C ATOM 983 CE1 TYR A 63 -11.456 -3.921 -18.500 1.00 75.34 C ATOM 984 CE2 TYR A 63 -9.844 -5.624 -18.976 1.00 45.14 C ATOM 985 CZ TYR A 63 -10.152 -4.301 -18.739 1.00 1.34 C ATOM 986 OH TYR A 63 -9.153 -3.354 -18.738 1.00 32.11 O ATOM 0 H TYR A 63 -11.663 -8.002 -16.411 1.00 55.55 H new ATOM 0 HA TYR A 63 -14.498 -7.536 -16.999 1.00 12.13 H new ATOM 0 HB2 TYR A 63 -13.007 -8.046 -19.441 1.00 12.32 H new ATOM 0 HB3 TYR A 63 -14.190 -6.798 -19.102 1.00 12.32 H new ATOM 0 HD1 TYR A 63 -13.476 -4.574 -18.313 1.00 10.25 H new ATOM 0 HD2 TYR A 63 -10.605 -7.605 -19.164 1.00 62.41 H new ATOM 0 HE1 TYR A 63 -11.694 -2.884 -18.313 1.00 75.34 H new ATOM 0 HE2 TYR A 63 -8.822 -5.919 -19.161 1.00 45.14 H new ATOM 0 HH TYR A 63 -9.367 -2.652 -19.387 1.00 32.11 H new ATOM 996 N ASP A 64 -14.657 -9.993 -17.049 1.00 74.43 N ATOM 997 CA ASP A 64 -14.809 -11.443 -17.101 1.00 53.22 C ATOM 998 C ASP A 64 -14.639 -11.956 -18.528 1.00 25.45 C ATOM 999 O ASP A 64 -15.549 -11.848 -19.350 1.00 1.11 O ATOM 1000 CB ASP A 64 -16.179 -11.853 -16.559 1.00 31.23 C ATOM 1001 CG ASP A 64 -16.108 -13.086 -15.679 1.00 2.22 C ATOM 1002 OD1 ASP A 64 -15.090 -13.254 -14.974 1.00 15.00 O ATOM 1003 OD2 ASP A 64 -17.070 -13.882 -15.694 1.00 43.34 O ATOM 0 H ASP A 64 -15.462 -9.498 -16.665 1.00 74.43 H new ATOM 0 HA ASP A 64 -14.032 -11.888 -16.479 1.00 53.22 H new ATOM 0 HB2 ASP A 64 -16.603 -11.027 -15.988 1.00 31.23 H new ATOM 0 HB3 ASP A 64 -16.854 -12.044 -17.393 1.00 31.23 H new ATOM 1008 N CYS A 65 -13.467 -12.514 -18.814 1.00 34.13 N ATOM 1009 CA CYS A 65 -13.176 -13.043 -20.142 1.00 15.24 C ATOM 1010 C CYS A 65 -13.817 -14.413 -20.334 1.00 35.45 C ATOM 1011 O CYS A 65 -13.726 -15.008 -21.406 1.00 63.35 O ATOM 1012 CB CYS A 65 -11.665 -13.139 -20.355 1.00 51.32 C ATOM 1013 SG CYS A 65 -11.160 -13.086 -22.091 1.00 31.25 S ATOM 0 H CYS A 65 -12.704 -12.612 -18.144 1.00 34.13 H new ATOM 0 HA CYS A 65 -13.597 -12.359 -20.879 1.00 15.24 H new ATOM 0 HB2 CYS A 65 -11.181 -12.321 -19.822 1.00 51.32 H new ATOM 0 HB3 CYS A 65 -11.304 -14.067 -19.911 1.00 51.32 H new ATOM 0 HG CYS A 65 -9.868 -12.958 -22.163 1.00 31.25 H new ATOM 1019 N GLY A 66 -14.466 -14.910 -19.284 1.00 60.03 N ATOM 1020 CA GLY A 66 -15.111 -16.208 -19.357 1.00 52.13 C ATOM 1021 C GLY A 66 -14.216 -17.329 -18.867 1.00 12.31 C ATOM 1022 O GLY A 66 -14.688 -18.285 -18.254 1.00 62.41 O ATOM 0 H GLY A 66 -14.556 -14.437 -18.385 1.00 60.03 H new ATOM 0 HA2 GLY A 66 -16.024 -16.190 -18.762 1.00 52.13 H new ATOM 0 HA3 GLY A 66 -15.405 -16.406 -20.388 1.00 52.13 H new ATOM 1026 N ASN A 67 -12.920 -17.211 -19.139 1.00 35.15 N ATOM 1027 CA ASN A 67 -11.957 -18.224 -18.722 1.00 73.14 C ATOM 1028 C ASN A 67 -10.953 -17.645 -17.731 1.00 1.13 C ATOM 1029 O ASN A 67 -10.324 -18.378 -16.967 1.00 14.23 O ATOM 1030 CB ASN A 67 -11.222 -18.789 -19.939 1.00 43.34 C ATOM 1031 CG ASN A 67 -10.300 -19.937 -19.576 1.00 41.14 C ATOM 1032 OD1 ASN A 67 -10.403 -20.511 -18.492 1.00 61.44 O ATOM 1033 ND2 ASN A 67 -9.392 -20.276 -20.484 1.00 71.32 N ATOM 0 H ASN A 67 -12.513 -16.425 -19.646 1.00 35.15 H new ATOM 0 HA ASN A 67 -12.503 -19.028 -18.230 1.00 73.14 H new ATOM 0 HB2 ASN A 67 -11.951 -19.130 -20.674 1.00 43.34 H new ATOM 0 HB3 ASN A 67 -10.642 -17.996 -20.410 1.00 43.34 H new ATOM 0 HD21 ASN A 67 -8.743 -21.040 -20.296 1.00 71.32 H new ATOM 0 HD22 ASN A 67 -9.343 -19.772 -21.369 1.00 71.32 H new ATOM 1040 N LYS A 68 -10.807 -16.324 -17.748 1.00 33.32 N ATOM 1041 CA LYS A 68 -9.881 -15.645 -16.850 1.00 14.44 C ATOM 1042 C LYS A 68 -10.120 -14.138 -16.861 1.00 30.04 C ATOM 1043 O LYS A 68 -10.976 -13.641 -17.594 1.00 23.34 O ATOM 1044 CB LYS A 68 -8.436 -15.946 -17.251 1.00 44.50 C ATOM 1045 CG LYS A 68 -8.061 -15.410 -18.622 1.00 2.41 C ATOM 1046 CD LYS A 68 -8.489 -16.359 -19.728 1.00 60.31 C ATOM 1047 CE LYS A 68 -9.417 -15.676 -20.721 1.00 32.42 C ATOM 1048 NZ LYS A 68 -9.232 -16.199 -22.103 1.00 51.40 N ATOM 0 H LYS A 68 -11.319 -15.703 -18.374 1.00 33.32 H new ATOM 0 HA LYS A 68 -10.055 -16.016 -15.840 1.00 14.44 H new ATOM 0 HB2 LYS A 68 -7.765 -15.518 -16.507 1.00 44.50 H new ATOM 0 HB3 LYS A 68 -8.281 -17.025 -17.237 1.00 44.50 H new ATOM 0 HG2 LYS A 68 -8.530 -14.438 -18.774 1.00 2.41 H new ATOM 0 HG3 LYS A 68 -6.983 -15.255 -18.671 1.00 2.41 H new ATOM 0 HD2 LYS A 68 -7.608 -16.732 -20.250 1.00 60.31 H new ATOM 0 HD3 LYS A 68 -8.992 -17.223 -19.293 1.00 60.31 H new ATOM 0 HE2 LYS A 68 -10.452 -15.824 -20.412 1.00 32.42 H new ATOM 0 HE3 LYS A 68 -9.232 -14.602 -20.711 1.00 32.42 H new ATOM 0 HZ1 LYS A 68 -9.882 -15.708 -22.750 1.00 51.40 H new ATOM 0 HZ2 LYS A 68 -8.251 -16.035 -22.408 1.00 51.40 H new ATOM 0 HZ3 LYS A 68 -9.433 -17.219 -22.118 1.00 51.40 H new ATOM 1062 N ILE A 69 -9.358 -13.417 -16.045 1.00 40.03 N ATOM 1063 CA ILE A 69 -9.486 -11.967 -15.964 1.00 24.20 C ATOM 1064 C ILE A 69 -8.227 -11.275 -16.475 1.00 25.04 C ATOM 1065 O ILE A 69 -7.281 -11.050 -15.719 1.00 53.15 O ATOM 1066 CB ILE A 69 -9.762 -11.506 -14.521 1.00 23.44 C ATOM 1067 CG1 ILE A 69 -10.923 -12.303 -13.921 1.00 43.41 C ATOM 1068 CG2 ILE A 69 -10.063 -10.015 -14.489 1.00 63.50 C ATOM 1069 CD1 ILE A 69 -12.129 -12.389 -14.830 1.00 0.03 C ATOM 0 H ILE A 69 -8.646 -13.813 -15.431 1.00 40.03 H new ATOM 0 HA ILE A 69 -10.331 -11.689 -16.593 1.00 24.20 H new ATOM 0 HB ILE A 69 -8.871 -11.689 -13.920 1.00 23.44 H new ATOM 0 HG12 ILE A 69 -10.580 -13.311 -13.689 1.00 43.41 H new ATOM 0 HG13 ILE A 69 -11.220 -11.843 -12.979 1.00 43.41 H new ATOM 0 HG21 ILE A 69 -10.256 -9.705 -13.462 1.00 63.50 H new ATOM 0 HG22 ILE A 69 -9.209 -9.463 -14.881 1.00 63.50 H new ATOM 0 HG23 ILE A 69 -10.940 -9.808 -15.102 1.00 63.50 H new ATOM 0 HD11 ILE A 69 -12.913 -12.968 -14.341 1.00 0.03 H new ATOM 0 HD12 ILE A 69 -12.497 -11.385 -15.042 1.00 0.03 H new ATOM 0 HD13 ILE A 69 -11.847 -12.876 -15.763 1.00 0.03 H new ATOM 1081 N GLN A 70 -8.223 -10.939 -17.760 1.00 42.25 N ATOM 1082 CA GLN A 70 -7.080 -10.271 -18.372 1.00 1.34 C ATOM 1083 C GLN A 70 -7.130 -8.767 -18.121 1.00 31.22 C ATOM 1084 O GLN A 70 -7.854 -8.038 -18.799 1.00 71.11 O ATOM 1085 CB GLN A 70 -7.044 -10.548 -19.875 1.00 74.05 C ATOM 1086 CG GLN A 70 -5.696 -10.260 -20.516 1.00 30.04 C ATOM 1087 CD GLN A 70 -5.755 -9.119 -21.512 1.00 62.22 C ATOM 1088 OE1 GLN A 70 -6.614 -8.242 -21.419 1.00 4.32 O ATOM 1089 NE2 GLN A 70 -4.839 -9.125 -22.474 1.00 33.10 N ATOM 0 H GLN A 70 -8.998 -11.118 -18.398 1.00 42.25 H new ATOM 0 HA GLN A 70 -6.173 -10.667 -17.916 1.00 1.34 H new ATOM 0 HB2 GLN A 70 -7.304 -11.592 -20.050 1.00 74.05 H new ATOM 0 HB3 GLN A 70 -7.807 -9.943 -20.366 1.00 74.05 H new ATOM 0 HG2 GLN A 70 -4.972 -10.020 -19.738 1.00 30.04 H new ATOM 0 HG3 GLN A 70 -5.338 -11.158 -21.019 1.00 30.04 H new ATOM 0 HE21 GLN A 70 -4.145 -9.872 -22.513 1.00 33.10 H new ATOM 0 HE22 GLN A 70 -4.829 -8.383 -23.174 1.00 33.10 H new ATOM 1098 N PHE A 71 -6.357 -8.309 -17.142 1.00 23.40 N ATOM 1099 CA PHE A 71 -6.314 -6.892 -16.800 1.00 70.35 C ATOM 1100 C PHE A 71 -4.919 -6.319 -17.031 1.00 23.23 C ATOM 1101 O PHE A 71 -3.915 -6.937 -16.676 1.00 20.32 O ATOM 1102 CB PHE A 71 -6.729 -6.685 -15.342 1.00 42.34 C ATOM 1103 CG PHE A 71 -5.742 -7.236 -14.354 1.00 23.31 C ATOM 1104 CD1 PHE A 71 -5.808 -8.561 -13.955 1.00 21.45 C ATOM 1105 CD2 PHE A 71 -4.748 -6.430 -13.824 1.00 3.43 C ATOM 1106 CE1 PHE A 71 -4.901 -9.072 -13.045 1.00 62.43 C ATOM 1107 CE2 PHE A 71 -3.838 -6.935 -12.915 1.00 23.03 C ATOM 1108 CZ PHE A 71 -3.915 -8.258 -12.524 1.00 50.40 C ATOM 0 H PHE A 71 -5.752 -8.899 -16.571 1.00 23.40 H new ATOM 0 HA PHE A 71 -7.015 -6.366 -17.448 1.00 70.35 H new ATOM 0 HB2 PHE A 71 -6.859 -5.619 -15.157 1.00 42.34 H new ATOM 0 HB3 PHE A 71 -7.698 -7.157 -15.178 1.00 42.34 H new ATOM 0 HD1 PHE A 71 -6.577 -9.202 -14.360 1.00 21.45 H new ATOM 0 HD2 PHE A 71 -4.683 -5.395 -14.125 1.00 3.43 H new ATOM 0 HE1 PHE A 71 -4.964 -10.107 -12.742 1.00 62.43 H new ATOM 0 HE2 PHE A 71 -3.067 -6.296 -12.510 1.00 23.03 H new ATOM 0 HZ PHE A 71 -3.206 -8.654 -11.813 1.00 50.40 H new ATOM 1118 N VAL A 72 -4.864 -5.133 -17.628 1.00 41.02 N ATOM 1119 CA VAL A 72 -3.593 -4.475 -17.906 1.00 2.10 C ATOM 1120 C VAL A 72 -3.591 -3.042 -17.386 1.00 41.34 C ATOM 1121 O VAL A 72 -4.635 -2.391 -17.323 1.00 60.03 O ATOM 1122 CB VAL A 72 -3.285 -4.463 -19.415 1.00 52.31 C ATOM 1123 CG1 VAL A 72 -3.593 -5.818 -20.034 1.00 1.20 C ATOM 1124 CG2 VAL A 72 -4.070 -3.360 -20.109 1.00 42.25 C ATOM 0 H VAL A 72 -5.685 -4.608 -17.929 1.00 41.02 H new ATOM 0 HA VAL A 72 -2.821 -5.047 -17.390 1.00 2.10 H new ATOM 0 HB VAL A 72 -2.222 -4.262 -19.550 1.00 52.31 H new ATOM 0 HG11 VAL A 72 -3.369 -5.790 -21.100 1.00 1.20 H new ATOM 0 HG12 VAL A 72 -2.983 -6.584 -19.555 1.00 1.20 H new ATOM 0 HG13 VAL A 72 -4.648 -6.052 -19.891 1.00 1.20 H new ATOM 0 HG21 VAL A 72 -3.841 -3.365 -21.175 1.00 42.25 H new ATOM 0 HG22 VAL A 72 -5.137 -3.528 -19.967 1.00 42.25 H new ATOM 0 HG23 VAL A 72 -3.795 -2.395 -19.684 1.00 42.25 H new ATOM 1134 N LEU A 73 -2.412 -2.554 -17.016 1.00 31.43 N ATOM 1135 CA LEU A 73 -2.273 -1.196 -16.501 1.00 70.35 C ATOM 1136 C LEU A 73 -1.013 -0.533 -17.049 1.00 73.00 C ATOM 1137 O LEU A 73 -0.026 -1.205 -17.346 1.00 44.13 O ATOM 1138 CB LEU A 73 -2.232 -1.210 -14.972 1.00 72.54 C ATOM 1139 CG LEU A 73 -1.483 -2.379 -14.332 1.00 31.52 C ATOM 1140 CD1 LEU A 73 -2.276 -3.668 -14.483 1.00 21.43 C ATOM 1141 CD2 LEU A 73 -0.099 -2.527 -14.947 1.00 31.31 C ATOM 0 H LEU A 73 -1.538 -3.078 -17.063 1.00 31.43 H new ATOM 0 HA LEU A 73 -3.138 -0.619 -16.829 1.00 70.35 H new ATOM 0 HB2 LEU A 73 -1.774 -0.281 -14.632 1.00 72.54 H new ATOM 0 HB3 LEU A 73 -3.257 -1.214 -14.601 1.00 72.54 H new ATOM 0 HG LEU A 73 -1.366 -2.171 -13.268 1.00 31.52 H new ATOM 0 HD11 LEU A 73 -1.727 -4.489 -14.022 1.00 21.43 H new ATOM 0 HD12 LEU A 73 -3.244 -3.559 -13.994 1.00 21.43 H new ATOM 0 HD13 LEU A 73 -2.426 -3.881 -15.541 1.00 21.43 H new ATOM 0 HD21 LEU A 73 0.419 -3.364 -14.479 1.00 31.31 H new ATOM 0 HD22 LEU A 73 -0.194 -2.712 -16.017 1.00 31.31 H new ATOM 0 HD23 LEU A 73 0.471 -1.612 -14.786 1.00 31.31 H new ATOM 1153 N TRP A 74 -1.055 0.788 -17.177 1.00 40.14 N ATOM 1154 CA TRP A 74 0.084 1.543 -17.687 1.00 65.42 C ATOM 1155 C TRP A 74 0.623 2.497 -16.628 1.00 1.45 C ATOM 1156 O TRP A 74 -0.127 3.285 -16.050 1.00 31.13 O ATOM 1157 CB TRP A 74 -0.314 2.324 -18.940 1.00 74.01 C ATOM 1158 CG TRP A 74 -1.758 2.725 -18.955 1.00 54.23 C ATOM 1159 CD1 TRP A 74 -2.306 3.837 -18.382 1.00 32.02 C ATOM 1160 CD2 TRP A 74 -2.838 2.017 -19.573 1.00 72.42 C ATOM 1161 NE1 TRP A 74 -3.662 3.862 -18.606 1.00 4.21 N ATOM 1162 CE2 TRP A 74 -4.013 2.757 -19.335 1.00 44.12 C ATOM 1163 CE3 TRP A 74 -2.927 0.830 -20.306 1.00 11.10 C ATOM 1164 CZ2 TRP A 74 -5.258 2.347 -19.803 1.00 52.44 C ATOM 1165 CZ3 TRP A 74 -4.164 0.425 -20.770 1.00 31.44 C ATOM 1166 CH2 TRP A 74 -5.316 1.182 -20.518 1.00 30.32 C ATOM 0 H TRP A 74 -1.865 1.359 -16.935 1.00 40.14 H new ATOM 0 HA TRP A 74 0.871 0.834 -17.945 1.00 65.42 H new ATOM 0 HB2 TRP A 74 0.305 3.218 -19.014 1.00 74.01 H new ATOM 0 HB3 TRP A 74 -0.104 1.717 -19.820 1.00 74.01 H new ATOM 0 HD1 TRP A 74 -1.755 4.587 -17.833 1.00 32.02 H new ATOM 0 HE1 TRP A 74 -4.303 4.586 -18.282 1.00 4.21 H new ATOM 0 HE3 TRP A 74 -2.045 0.240 -20.506 1.00 11.10 H new ATOM 0 HZ2 TRP A 74 -6.147 2.928 -19.609 1.00 52.44 H new ATOM 0 HZ3 TRP A 74 -4.244 -0.491 -21.337 1.00 31.44 H new ATOM 0 HH2 TRP A 74 -6.268 0.839 -20.895 1.00 30.32 H new ATOM 1177 N CYS A 75 1.925 2.423 -16.377 1.00 65.33 N ATOM 1178 CA CYS A 75 2.564 3.281 -15.386 1.00 0.13 C ATOM 1179 C CYS A 75 2.465 4.748 -15.792 1.00 62.20 C ATOM 1180 O CYS A 75 2.689 5.114 -16.946 1.00 11.31 O ATOM 1181 CB CYS A 75 4.031 2.886 -15.208 1.00 12.22 C ATOM 1182 SG CYS A 75 4.281 1.146 -14.785 1.00 13.22 S ATOM 0 H CYS A 75 2.559 1.777 -16.847 1.00 65.33 H new ATOM 0 HA CYS A 75 2.043 3.149 -14.438 1.00 0.13 H new ATOM 0 HB2 CYS A 75 4.570 3.106 -16.130 1.00 12.22 H new ATOM 0 HB3 CYS A 75 4.471 3.506 -14.426 1.00 12.22 H new ATOM 0 HG CYS A 75 5.546 0.857 -14.865 1.00 13.22 H new ATOM 1188 N PRO A 76 2.121 5.609 -14.823 1.00 35.42 N ATOM 1189 CA PRO A 76 1.983 7.049 -15.056 1.00 11.32 C ATOM 1190 C PRO A 76 3.325 7.726 -15.314 1.00 71.42 C ATOM 1191 O PRO A 76 4.351 7.319 -14.769 1.00 11.15 O ATOM 1192 CB PRO A 76 1.368 7.562 -13.751 1.00 51.43 C ATOM 1193 CG PRO A 76 1.782 6.569 -12.721 1.00 1.31 C ATOM 1194 CD PRO A 76 1.839 5.242 -13.425 1.00 22.33 C ATOM 0 HA PRO A 76 1.382 7.263 -15.940 1.00 11.32 H new ATOM 0 HB2 PRO A 76 1.732 8.560 -13.507 1.00 51.43 H new ATOM 0 HB3 PRO A 76 0.282 7.628 -13.824 1.00 51.43 H new ATOM 0 HG2 PRO A 76 2.752 6.828 -12.297 1.00 1.31 H new ATOM 0 HG3 PRO A 76 1.070 6.543 -11.896 1.00 1.31 H new ATOM 0 HD2 PRO A 76 2.619 4.602 -13.013 1.00 22.33 H new ATOM 0 HD3 PRO A 76 0.899 4.698 -13.334 1.00 22.33 H new ATOM 1202 N ASP A 77 3.310 8.759 -16.149 1.00 2.24 N ATOM 1203 CA ASP A 77 4.526 9.493 -16.478 1.00 45.20 C ATOM 1204 C ASP A 77 4.750 10.641 -15.499 1.00 3.40 C ATOM 1205 O ASP A 77 5.707 11.404 -15.630 1.00 31.24 O ATOM 1206 CB ASP A 77 4.451 10.033 -17.907 1.00 72.42 C ATOM 1207 CG ASP A 77 5.822 10.272 -18.509 1.00 55.20 C ATOM 1208 OD1 ASP A 77 6.824 9.867 -17.883 1.00 73.34 O ATOM 1209 OD2 ASP A 77 5.892 10.864 -19.606 1.00 41.30 O ATOM 0 H ASP A 77 2.469 9.107 -16.610 1.00 2.24 H new ATOM 0 HA ASP A 77 5.368 8.805 -16.402 1.00 45.20 H new ATOM 0 HB2 ASP A 77 3.902 9.327 -18.530 1.00 72.42 H new ATOM 0 HB3 ASP A 77 3.888 10.967 -17.910 1.00 72.42 H new ATOM 1214 N ASN A 78 3.860 10.759 -14.519 1.00 23.31 N ATOM 1215 CA ASN A 78 3.960 11.815 -13.518 1.00 52.14 C ATOM 1216 C ASN A 78 4.776 11.351 -12.316 1.00 70.40 C ATOM 1217 O ASN A 78 5.460 12.146 -11.672 1.00 72.15 O ATOM 1218 CB ASN A 78 2.565 12.250 -13.065 1.00 33.32 C ATOM 1219 CG ASN A 78 2.419 13.758 -13.006 1.00 44.14 C ATOM 1220 OD1 ASN A 78 2.181 14.410 -14.023 1.00 73.44 O ATOM 1221 ND2 ASN A 78 2.564 14.320 -11.812 1.00 55.41 N ATOM 0 H ASN A 78 3.061 10.136 -14.397 1.00 23.31 H new ATOM 0 HA ASN A 78 4.469 12.665 -13.973 1.00 52.14 H new ATOM 0 HB2 ASN A 78 1.821 11.842 -13.749 1.00 33.32 H new ATOM 0 HB3 ASN A 78 2.358 11.829 -12.081 1.00 33.32 H new ATOM 0 HD21 ASN A 78 2.479 15.331 -11.711 1.00 55.41 H new ATOM 0 HD22 ASN A 78 2.761 13.740 -10.996 1.00 55.41 H new ATOM 1228 N ALA A 79 4.699 10.057 -12.020 1.00 1.34 N ATOM 1229 CA ALA A 79 5.432 9.486 -10.897 1.00 23.01 C ATOM 1230 C ALA A 79 5.088 8.012 -10.710 1.00 4.25 C ATOM 1231 O ALA A 79 4.343 7.634 -9.805 1.00 63.24 O ATOM 1232 CB ALA A 79 5.138 10.265 -9.623 1.00 71.33 C ATOM 0 H ALA A 79 4.137 9.385 -12.542 1.00 1.34 H new ATOM 0 HA ALA A 79 6.497 9.559 -11.116 1.00 23.01 H new ATOM 0 HB1 ALA A 79 5.692 9.827 -8.793 1.00 71.33 H new ATOM 0 HB2 ALA A 79 5.441 11.304 -9.754 1.00 71.33 H new ATOM 0 HB3 ALA A 79 4.070 10.223 -9.409 1.00 71.33 H new ATOM 1238 N PRO A 80 5.642 7.159 -11.584 1.00 22.24 N ATOM 1239 CA PRO A 80 5.408 5.713 -11.535 1.00 30.43 C ATOM 1240 C PRO A 80 6.070 5.059 -10.327 1.00 21.52 C ATOM 1241 O PRO A 80 5.620 4.018 -9.847 1.00 64.45 O ATOM 1242 CB PRO A 80 6.043 5.206 -12.832 1.00 41.31 C ATOM 1243 CG PRO A 80 7.081 6.222 -13.167 1.00 75.54 C ATOM 1244 CD PRO A 80 6.540 7.540 -12.687 1.00 23.14 C ATOM 0 HA PRO A 80 4.348 5.475 -11.442 1.00 30.43 H new ATOM 0 HB2 PRO A 80 6.484 4.218 -12.697 1.00 41.31 H new ATOM 0 HB3 PRO A 80 5.303 5.119 -13.628 1.00 41.31 H new ATOM 0 HG2 PRO A 80 8.028 5.988 -12.680 1.00 75.54 H new ATOM 0 HG3 PRO A 80 7.272 6.246 -14.240 1.00 75.54 H new ATOM 0 HD2 PRO A 80 7.337 8.201 -12.346 1.00 23.14 H new ATOM 0 HD3 PRO A 80 6.005 8.066 -13.477 1.00 23.14 H new ATOM 1252 N VAL A 81 7.141 5.676 -9.838 1.00 63.14 N ATOM 1253 CA VAL A 81 7.865 5.154 -8.685 1.00 14.41 C ATOM 1254 C VAL A 81 6.915 4.854 -7.530 1.00 42.45 C ATOM 1255 O VAL A 81 7.212 4.031 -6.665 1.00 65.41 O ATOM 1256 CB VAL A 81 8.943 6.144 -8.204 1.00 60.45 C ATOM 1257 CG1 VAL A 81 8.329 7.505 -7.916 1.00 34.23 C ATOM 1258 CG2 VAL A 81 9.655 5.599 -6.975 1.00 41.33 C ATOM 0 H VAL A 81 7.527 6.538 -10.223 1.00 63.14 H new ATOM 0 HA VAL A 81 8.347 4.230 -9.005 1.00 14.41 H new ATOM 0 HB VAL A 81 9.680 6.267 -8.998 1.00 60.45 H new ATOM 0 HG11 VAL A 81 9.106 8.190 -7.577 1.00 34.23 H new ATOM 0 HG12 VAL A 81 7.870 7.897 -8.824 1.00 34.23 H new ATOM 0 HG13 VAL A 81 7.570 7.405 -7.140 1.00 34.23 H new ATOM 0 HG21 VAL A 81 10.413 6.311 -6.648 1.00 41.33 H new ATOM 0 HG22 VAL A 81 8.932 5.446 -6.174 1.00 41.33 H new ATOM 0 HG23 VAL A 81 10.131 4.650 -7.221 1.00 41.33 H new ATOM 1268 N LYS A 82 5.770 5.528 -7.523 1.00 40.23 N ATOM 1269 CA LYS A 82 4.774 5.334 -6.476 1.00 71.34 C ATOM 1270 C LYS A 82 3.929 4.095 -6.753 1.00 75.41 C ATOM 1271 O LYS A 82 3.952 3.118 -6.004 1.00 64.54 O ATOM 1272 CB LYS A 82 3.872 6.565 -6.367 1.00 1.32 C ATOM 1273 CG LYS A 82 4.143 7.409 -5.133 1.00 54.44 C ATOM 1274 CD LYS A 82 3.087 8.488 -4.953 1.00 63.32 C ATOM 1275 CE LYS A 82 3.558 9.826 -5.502 1.00 24.22 C ATOM 1276 NZ LYS A 82 3.872 10.792 -4.413 1.00 45.01 N ATOM 0 H LYS A 82 5.509 6.214 -8.231 1.00 40.23 H new ATOM 0 HA LYS A 82 5.299 5.191 -5.531 1.00 71.34 H new ATOM 0 HB2 LYS A 82 4.004 7.182 -7.256 1.00 1.32 H new ATOM 0 HB3 LYS A 82 2.831 6.243 -6.355 1.00 1.32 H new ATOM 0 HG2 LYS A 82 4.165 6.769 -4.251 1.00 54.44 H new ATOM 0 HG3 LYS A 82 5.127 7.871 -5.216 1.00 54.44 H new ATOM 0 HD2 LYS A 82 2.169 8.189 -5.459 1.00 63.32 H new ATOM 0 HD3 LYS A 82 2.848 8.592 -3.895 1.00 63.32 H new ATOM 0 HE2 LYS A 82 4.443 9.674 -6.119 1.00 24.22 H new ATOM 0 HE3 LYS A 82 2.787 10.245 -6.148 1.00 24.22 H new ATOM 0 HZ1 LYS A 82 4.189 11.691 -4.828 1.00 45.01 H new ATOM 0 HZ2 LYS A 82 3.021 10.957 -3.839 1.00 45.01 H new ATOM 0 HZ3 LYS A 82 4.626 10.403 -3.811 1.00 45.01 H new ATOM 1290 N PRO A 83 3.164 4.133 -7.855 1.00 31.35 N ATOM 1291 CA PRO A 83 2.298 3.020 -8.256 1.00 64.22 C ATOM 1292 C PRO A 83 3.094 1.809 -8.732 1.00 21.05 C ATOM 1293 O PRO A 83 2.912 0.699 -8.231 1.00 54.10 O ATOM 1294 CB PRO A 83 1.478 3.606 -9.408 1.00 0.22 C ATOM 1295 CG PRO A 83 2.328 4.697 -9.961 1.00 40.51 C ATOM 1296 CD PRO A 83 3.086 5.265 -8.793 1.00 31.22 C ATOM 0 HA PRO A 83 1.693 2.655 -7.426 1.00 64.22 H new ATOM 0 HB2 PRO A 83 1.261 2.851 -10.164 1.00 0.22 H new ATOM 0 HB3 PRO A 83 0.520 3.990 -9.057 1.00 0.22 H new ATOM 0 HG2 PRO A 83 3.010 4.313 -10.720 1.00 40.51 H new ATOM 0 HG3 PRO A 83 1.717 5.463 -10.439 1.00 40.51 H new ATOM 0 HD2 PRO A 83 4.076 5.612 -9.087 1.00 31.22 H new ATOM 0 HD3 PRO A 83 2.567 6.117 -8.353 1.00 31.22 H new ATOM 1304 N ARG A 84 3.977 2.030 -9.700 1.00 21.01 N ATOM 1305 CA ARG A 84 4.800 0.956 -10.243 1.00 2.10 C ATOM 1306 C ARG A 84 5.467 0.162 -9.123 1.00 53.51 C ATOM 1307 O ARG A 84 5.842 -0.995 -9.308 1.00 12.13 O ATOM 1308 CB ARG A 84 5.865 1.526 -11.182 1.00 72.12 C ATOM 1309 CG ARG A 84 6.651 0.461 -11.929 1.00 73.14 C ATOM 1310 CD ARG A 84 7.940 1.023 -12.507 1.00 63.20 C ATOM 1311 NE ARG A 84 9.066 0.111 -12.321 1.00 2.51 N ATOM 1312 CZ ARG A 84 10.328 0.442 -12.572 1.00 62.41 C ATOM 1313 NH1 ARG A 84 10.624 1.655 -13.017 1.00 15.11 N ATOM 1314 NH2 ARG A 84 11.298 -0.443 -12.378 1.00 31.12 N ATOM 0 H ARG A 84 4.141 2.943 -10.124 1.00 21.01 H new ATOM 0 HA ARG A 84 4.151 0.284 -10.805 1.00 2.10 H new ATOM 0 HB2 ARG A 84 5.385 2.185 -11.905 1.00 72.12 H new ATOM 0 HB3 ARG A 84 6.557 2.138 -10.604 1.00 72.12 H new ATOM 0 HG2 ARG A 84 6.883 -0.363 -11.254 1.00 73.14 H new ATOM 0 HG3 ARG A 84 6.039 0.052 -12.733 1.00 73.14 H new ATOM 0 HD2 ARG A 84 7.805 1.220 -13.570 1.00 63.20 H new ATOM 0 HD3 ARG A 84 8.164 1.978 -12.032 1.00 63.20 H new ATOM 0 HE ARG A 84 8.873 -0.831 -11.980 1.00 2.51 H new ATOM 0 HH11 ARG A 84 9.882 2.338 -13.168 1.00 15.11 H new ATOM 0 HH12 ARG A 84 11.594 1.905 -13.209 1.00 15.11 H new ATOM 0 HH21 ARG A 84 11.075 -1.378 -12.036 1.00 31.12 H new ATOM 0 HH22 ARG A 84 12.267 -0.188 -12.571 1.00 31.12 H new ATOM 1328 N MET A 85 5.611 0.794 -7.962 1.00 71.44 N ATOM 1329 CA MET A 85 6.232 0.146 -6.813 1.00 33.13 C ATOM 1330 C MET A 85 5.192 -0.600 -5.982 1.00 63.44 C ATOM 1331 O MET A 85 5.289 -1.813 -5.790 1.00 45.12 O ATOM 1332 CB MET A 85 6.949 1.180 -5.943 1.00 41.33 C ATOM 1333 CG MET A 85 8.367 1.481 -6.402 1.00 13.32 C ATOM 1334 SD MET A 85 9.497 0.107 -6.112 1.00 21.14 S ATOM 1335 CE MET A 85 10.966 0.693 -6.952 1.00 40.41 C ATOM 0 H MET A 85 5.306 1.753 -7.793 1.00 71.44 H new ATOM 0 HA MET A 85 6.961 -0.575 -7.184 1.00 33.13 H new ATOM 0 HB2 MET A 85 6.372 2.105 -5.942 1.00 41.33 H new ATOM 0 HB3 MET A 85 6.977 0.821 -4.914 1.00 41.33 H new ATOM 0 HG2 MET A 85 8.357 1.720 -7.465 1.00 13.32 H new ATOM 0 HG3 MET A 85 8.734 2.365 -5.880 1.00 13.32 H new ATOM 0 HE1 MET A 85 11.758 -0.050 -6.861 1.00 40.41 H new ATOM 0 HE2 MET A 85 10.741 0.857 -8.006 1.00 40.41 H new ATOM 0 HE3 MET A 85 11.294 1.629 -6.501 1.00 40.41 H new ATOM 1345 N THR A 86 4.197 0.132 -5.491 1.00 60.51 N ATOM 1346 CA THR A 86 3.141 -0.461 -4.680 1.00 53.33 C ATOM 1347 C THR A 86 2.366 -1.511 -5.468 1.00 50.23 C ATOM 1348 O THR A 86 2.141 -2.621 -4.987 1.00 34.24 O ATOM 1349 CB THR A 86 2.158 0.610 -4.169 1.00 71.51 C ATOM 1350 OG1 THR A 86 1.063 -0.015 -3.490 1.00 73.25 O ATOM 1351 CG2 THR A 86 1.632 1.455 -5.319 1.00 45.23 C ATOM 0 H THR A 86 4.100 1.136 -5.641 1.00 60.51 H new ATOM 0 HA THR A 86 3.626 -0.936 -3.827 1.00 53.33 H new ATOM 0 HB THR A 86 2.692 1.260 -3.476 1.00 71.51 H new ATOM 0 HG1 THR A 86 0.368 0.651 -3.308 1.00 73.25 H new ATOM 0 HG21 THR A 86 0.940 2.204 -4.933 1.00 45.23 H new ATOM 0 HG22 THR A 86 2.465 1.952 -5.816 1.00 45.23 H new ATOM 0 HG23 THR A 86 1.113 0.815 -6.033 1.00 45.23 H new ATOM 1359 N TYR A 87 1.961 -1.153 -6.682 1.00 23.31 N ATOM 1360 CA TYR A 87 1.210 -2.065 -7.536 1.00 52.14 C ATOM 1361 C TYR A 87 1.987 -3.357 -7.771 1.00 14.13 C ATOM 1362 O TYR A 87 1.401 -4.409 -8.026 1.00 0.24 O ATOM 1363 CB TYR A 87 0.893 -1.397 -8.876 1.00 33.43 C ATOM 1364 CG TYR A 87 -0.258 -0.419 -8.807 1.00 41.11 C ATOM 1365 CD1 TYR A 87 -0.135 0.782 -8.119 1.00 63.03 C ATOM 1366 CD2 TYR A 87 -1.468 -0.695 -9.431 1.00 73.02 C ATOM 1367 CE1 TYR A 87 -1.184 1.678 -8.053 1.00 44.45 C ATOM 1368 CE2 TYR A 87 -2.522 0.196 -9.372 1.00 12.21 C ATOM 1369 CZ TYR A 87 -2.375 1.381 -8.682 1.00 12.25 C ATOM 1370 OH TYR A 87 -3.422 2.272 -8.620 1.00 10.25 O ATOM 0 H TYR A 87 2.140 -0.238 -7.096 1.00 23.31 H new ATOM 0 HA TYR A 87 0.277 -2.311 -7.029 1.00 52.14 H new ATOM 0 HB2 TYR A 87 1.781 -0.875 -9.232 1.00 33.43 H new ATOM 0 HB3 TYR A 87 0.660 -2.168 -9.611 1.00 33.43 H new ATOM 0 HD1 TYR A 87 0.797 1.019 -7.627 1.00 63.03 H new ATOM 0 HD2 TYR A 87 -1.587 -1.622 -9.972 1.00 73.02 H new ATOM 0 HE1 TYR A 87 -1.072 2.606 -7.512 1.00 44.45 H new ATOM 0 HE2 TYR A 87 -3.456 -0.034 -9.863 1.00 12.21 H new ATOM 0 HH TYR A 87 -3.563 2.673 -9.503 1.00 10.25 H new ATOM 1380 N ALA A 88 3.310 -3.269 -7.682 1.00 14.44 N ATOM 1381 CA ALA A 88 4.168 -4.430 -7.881 1.00 10.32 C ATOM 1382 C ALA A 88 4.193 -5.313 -6.638 1.00 63.32 C ATOM 1383 O ALA A 88 4.027 -6.530 -6.726 1.00 54.34 O ATOM 1384 CB ALA A 88 5.577 -3.988 -8.245 1.00 45.34 C ATOM 0 H ALA A 88 3.811 -2.405 -7.473 1.00 14.44 H new ATOM 0 HA ALA A 88 3.759 -5.017 -8.704 1.00 10.32 H new ATOM 0 HB1 ALA A 88 6.207 -4.865 -8.391 1.00 45.34 H new ATOM 0 HB2 ALA A 88 5.549 -3.404 -9.165 1.00 45.34 H new ATOM 0 HB3 ALA A 88 5.986 -3.377 -7.440 1.00 45.34 H new ATOM 1390 N SER A 89 4.404 -4.694 -5.481 1.00 53.43 N ATOM 1391 CA SER A 89 4.455 -5.425 -4.221 1.00 5.12 C ATOM 1392 C SER A 89 3.050 -5.729 -3.711 1.00 60.00 C ATOM 1393 O SER A 89 2.879 -6.366 -2.672 1.00 20.03 O ATOM 1394 CB SER A 89 5.228 -4.622 -3.172 1.00 71.03 C ATOM 1395 OG SER A 89 5.762 -5.471 -2.172 1.00 23.24 O ATOM 0 H SER A 89 4.542 -3.688 -5.390 1.00 53.43 H new ATOM 0 HA SER A 89 4.970 -6.369 -4.398 1.00 5.12 H new ATOM 0 HB2 SER A 89 6.035 -4.070 -3.654 1.00 71.03 H new ATOM 0 HB3 SER A 89 4.568 -3.886 -2.714 1.00 71.03 H new ATOM 0 HG SER A 89 5.076 -6.110 -1.885 1.00 23.24 H new ATOM 1401 N SER A 90 2.046 -5.268 -4.451 1.00 24.41 N ATOM 1402 CA SER A 90 0.655 -5.487 -4.073 1.00 61.01 C ATOM 1403 C SER A 90 -0.018 -6.473 -5.024 1.00 4.52 C ATOM 1404 O SER A 90 -1.130 -6.936 -4.772 1.00 20.21 O ATOM 1405 CB SER A 90 -0.109 -4.162 -4.070 1.00 1.51 C ATOM 1406 OG SER A 90 -1.343 -4.286 -3.385 1.00 12.00 O ATOM 0 H SER A 90 2.170 -4.741 -5.315 1.00 24.41 H new ATOM 0 HA SER A 90 0.639 -5.910 -3.068 1.00 61.01 H new ATOM 0 HB2 SER A 90 0.497 -3.390 -3.596 1.00 1.51 H new ATOM 0 HB3 SER A 90 -0.290 -3.841 -5.096 1.00 1.51 H new ATOM 0 HG SER A 90 -1.756 -5.146 -3.608 1.00 12.00 H new ATOM 1412 N LYS A 91 0.666 -6.789 -6.119 1.00 14.43 N ATOM 1413 CA LYS A 91 0.137 -7.720 -7.109 1.00 3.34 C ATOM 1414 C LYS A 91 -0.279 -9.033 -6.453 1.00 51.50 C ATOM 1415 O LYS A 91 -1.162 -9.732 -6.949 1.00 34.11 O ATOM 1416 CB LYS A 91 1.182 -7.988 -8.195 1.00 34.44 C ATOM 1417 CG LYS A 91 2.265 -8.964 -7.768 1.00 43.53 C ATOM 1418 CD LYS A 91 3.555 -8.736 -8.539 1.00 73.25 C ATOM 1419 CE LYS A 91 4.771 -9.149 -7.725 1.00 43.41 C ATOM 1420 NZ LYS A 91 4.936 -10.628 -7.685 1.00 22.03 N ATOM 0 H LYS A 91 1.588 -6.414 -6.343 1.00 14.43 H new ATOM 0 HA LYS A 91 -0.744 -7.267 -7.564 1.00 3.34 H new ATOM 0 HB2 LYS A 91 0.681 -8.378 -9.081 1.00 34.44 H new ATOM 0 HB3 LYS A 91 1.647 -7.045 -8.481 1.00 34.44 H new ATOM 0 HG2 LYS A 91 2.454 -8.855 -6.700 1.00 43.53 H new ATOM 0 HG3 LYS A 91 1.920 -9.985 -7.928 1.00 43.53 H new ATOM 0 HD2 LYS A 91 3.529 -9.303 -9.470 1.00 73.25 H new ATOM 0 HD3 LYS A 91 3.637 -7.683 -8.809 1.00 73.25 H new ATOM 0 HE2 LYS A 91 5.665 -8.695 -8.153 1.00 43.41 H new ATOM 0 HE3 LYS A 91 4.674 -8.767 -6.709 1.00 43.41 H new ATOM 0 HZ1 LYS A 91 5.776 -10.868 -7.121 1.00 22.03 H new ATOM 0 HZ2 LYS A 91 4.094 -11.060 -7.254 1.00 22.03 H new ATOM 0 HZ3 LYS A 91 5.054 -10.990 -8.653 1.00 22.03 H new ATOM 1434 N ASP A 92 0.361 -9.360 -5.336 1.00 42.21 N ATOM 1435 CA ASP A 92 0.055 -10.588 -4.611 1.00 42.40 C ATOM 1436 C ASP A 92 -1.359 -10.543 -4.040 1.00 23.40 C ATOM 1437 O ASP A 92 -1.967 -11.582 -3.782 1.00 1.55 O ATOM 1438 CB ASP A 92 1.067 -10.806 -3.485 1.00 12.32 C ATOM 1439 CG ASP A 92 2.493 -10.877 -3.994 1.00 22.13 C ATOM 1440 OD1 ASP A 92 2.843 -11.887 -4.640 1.00 51.25 O ATOM 1441 OD2 ASP A 92 3.259 -9.923 -3.746 1.00 5.02 O ATOM 0 H ASP A 92 1.095 -8.792 -4.913 1.00 42.21 H new ATOM 0 HA ASP A 92 0.118 -11.421 -5.312 1.00 42.40 H new ATOM 0 HB2 ASP A 92 0.982 -9.995 -2.762 1.00 12.32 H new ATOM 0 HB3 ASP A 92 0.826 -11.729 -2.958 1.00 12.32 H new ATOM 1446 N ALA A 93 -1.875 -9.335 -3.845 1.00 11.52 N ATOM 1447 CA ALA A 93 -3.217 -9.155 -3.305 1.00 72.13 C ATOM 1448 C ALA A 93 -4.239 -8.975 -4.423 1.00 63.11 C ATOM 1449 O ALA A 93 -5.223 -9.712 -4.503 1.00 42.34 O ATOM 1450 CB ALA A 93 -3.251 -7.963 -2.360 1.00 31.52 C ATOM 0 H ALA A 93 -1.384 -8.465 -4.053 1.00 11.52 H new ATOM 0 HA ALA A 93 -3.481 -10.054 -2.748 1.00 72.13 H new ATOM 0 HB1 ALA A 93 -4.259 -7.841 -1.965 1.00 31.52 H new ATOM 0 HB2 ALA A 93 -2.556 -8.131 -1.537 1.00 31.52 H new ATOM 0 HB3 ALA A 93 -2.962 -7.062 -2.901 1.00 31.52 H new ATOM 1456 N LEU A 94 -4.000 -7.992 -5.284 1.00 2.34 N ATOM 1457 CA LEU A 94 -4.900 -7.714 -6.398 1.00 20.34 C ATOM 1458 C LEU A 94 -5.225 -8.991 -7.166 1.00 35.33 C ATOM 1459 O LEU A 94 -6.390 -9.371 -7.295 1.00 51.13 O ATOM 1460 CB LEU A 94 -4.275 -6.684 -7.340 1.00 22.12 C ATOM 1461 CG LEU A 94 -3.981 -5.311 -6.734 1.00 31.43 C ATOM 1462 CD1 LEU A 94 -4.767 -5.117 -5.446 1.00 61.12 C ATOM 1463 CD2 LEU A 94 -2.490 -5.148 -6.480 1.00 65.41 C ATOM 0 H LEU A 94 -3.190 -7.374 -5.232 1.00 2.34 H new ATOM 0 HA LEU A 94 -5.827 -7.310 -5.992 1.00 20.34 H new ATOM 0 HB2 LEU A 94 -3.343 -7.095 -7.728 1.00 22.12 H new ATOM 0 HB3 LEU A 94 -4.942 -6.548 -8.191 1.00 22.12 H new ATOM 0 HG LEU A 94 -4.294 -4.547 -7.446 1.00 31.43 H new ATOM 0 HD11 LEU A 94 -4.545 -4.135 -5.029 1.00 61.12 H new ATOM 0 HD12 LEU A 94 -5.834 -5.189 -5.656 1.00 61.12 H new ATOM 0 HD13 LEU A 94 -4.486 -5.888 -4.728 1.00 61.12 H new ATOM 0 HD21 LEU A 94 -2.300 -4.165 -6.049 1.00 65.41 H new ATOM 0 HD22 LEU A 94 -2.152 -5.919 -5.788 1.00 65.41 H new ATOM 0 HD23 LEU A 94 -1.948 -5.242 -7.421 1.00 65.41 H new ATOM 1475 N LEU A 95 -4.190 -9.651 -7.672 1.00 24.45 N ATOM 1476 CA LEU A 95 -4.365 -10.888 -8.425 1.00 64.13 C ATOM 1477 C LEU A 95 -5.108 -11.930 -7.596 1.00 73.44 C ATOM 1478 O LEU A 95 -5.729 -12.845 -8.140 1.00 2.52 O ATOM 1479 CB LEU A 95 -3.006 -11.440 -8.860 1.00 22.22 C ATOM 1480 CG LEU A 95 -2.384 -10.794 -10.098 1.00 44.01 C ATOM 1481 CD1 LEU A 95 -0.914 -11.167 -10.213 1.00 43.03 C ATOM 1482 CD2 LEU A 95 -3.140 -11.206 -11.352 1.00 73.52 C ATOM 0 H LEU A 95 -3.220 -9.350 -7.575 1.00 24.45 H new ATOM 0 HA LEU A 95 -4.960 -10.664 -9.311 1.00 64.13 H new ATOM 0 HB2 LEU A 95 -2.309 -11.331 -8.029 1.00 22.22 H new ATOM 0 HB3 LEU A 95 -3.113 -12.508 -9.048 1.00 22.22 H new ATOM 0 HG LEU A 95 -2.456 -9.711 -9.994 1.00 44.01 H new ATOM 0 HD11 LEU A 95 -0.488 -10.698 -11.100 1.00 43.03 H new ATOM 0 HD12 LEU A 95 -0.380 -10.821 -9.328 1.00 43.03 H new ATOM 0 HD13 LEU A 95 -0.819 -12.250 -10.294 1.00 43.03 H new ATOM 0 HD21 LEU A 95 -2.683 -10.737 -12.223 1.00 73.52 H new ATOM 0 HD22 LEU A 95 -3.100 -12.290 -11.461 1.00 73.52 H new ATOM 0 HD23 LEU A 95 -4.179 -10.887 -11.272 1.00 73.52 H new ATOM 1494 N LYS A 96 -5.044 -11.786 -6.277 1.00 45.32 N ATOM 1495 CA LYS A 96 -5.713 -12.712 -5.372 1.00 12.34 C ATOM 1496 C LYS A 96 -7.181 -12.336 -5.197 1.00 11.24 C ATOM 1497 O LYS A 96 -8.038 -13.202 -5.023 1.00 33.23 O ATOM 1498 CB LYS A 96 -5.013 -12.723 -4.011 1.00 1.10 C ATOM 1499 CG LYS A 96 -4.034 -13.871 -3.840 1.00 65.34 C ATOM 1500 CD LYS A 96 -3.024 -13.916 -4.975 1.00 70.52 C ATOM 1501 CE LYS A 96 -3.454 -14.886 -6.065 1.00 62.41 C ATOM 1502 NZ LYS A 96 -2.295 -15.625 -6.639 1.00 0.11 N ATOM 0 H LYS A 96 -4.535 -11.035 -5.811 1.00 45.32 H new ATOM 0 HA LYS A 96 -5.661 -13.709 -5.809 1.00 12.34 H new ATOM 0 HB2 LYS A 96 -4.482 -11.781 -3.877 1.00 1.10 H new ATOM 0 HB3 LYS A 96 -5.766 -12.779 -3.225 1.00 1.10 H new ATOM 0 HG2 LYS A 96 -3.510 -13.766 -2.890 1.00 65.34 H new ATOM 0 HG3 LYS A 96 -4.580 -14.813 -3.800 1.00 65.34 H new ATOM 0 HD2 LYS A 96 -2.907 -12.919 -5.399 1.00 70.52 H new ATOM 0 HD3 LYS A 96 -2.050 -14.213 -4.586 1.00 70.52 H new ATOM 0 HE2 LYS A 96 -4.172 -15.597 -5.656 1.00 62.41 H new ATOM 0 HE3 LYS A 96 -3.964 -14.339 -6.858 1.00 62.41 H new ATOM 0 HZ1 LYS A 96 -2.630 -16.276 -7.378 1.00 0.11 H new ATOM 0 HZ2 LYS A 96 -1.622 -14.948 -7.052 1.00 0.11 H new ATOM 0 HZ3 LYS A 96 -1.823 -16.168 -5.888 1.00 0.11 H new ATOM 1516 N LYS A 97 -7.465 -11.039 -5.245 1.00 43.41 N ATOM 1517 CA LYS A 97 -8.829 -10.547 -5.095 1.00 32.11 C ATOM 1518 C LYS A 97 -9.690 -10.961 -6.284 1.00 15.31 C ATOM 1519 O LYS A 97 -10.838 -11.375 -6.118 1.00 34.44 O ATOM 1520 CB LYS A 97 -8.832 -9.023 -4.955 1.00 63.13 C ATOM 1521 CG LYS A 97 -8.157 -8.527 -3.688 1.00 33.31 C ATOM 1522 CD LYS A 97 -8.686 -9.245 -2.457 1.00 52.14 C ATOM 1523 CE LYS A 97 -7.712 -10.307 -1.970 1.00 15.21 C ATOM 1524 NZ LYS A 97 -8.227 -11.022 -0.769 1.00 71.14 N ATOM 0 H LYS A 97 -6.767 -10.309 -5.387 1.00 43.41 H new ATOM 0 HA LYS A 97 -9.251 -10.989 -4.192 1.00 32.11 H new ATOM 0 HB2 LYS A 97 -8.330 -8.586 -5.819 1.00 63.13 H new ATOM 0 HB3 LYS A 97 -9.862 -8.667 -4.971 1.00 63.13 H new ATOM 0 HG2 LYS A 97 -7.080 -8.679 -3.765 1.00 33.31 H new ATOM 0 HG3 LYS A 97 -8.321 -7.454 -3.583 1.00 33.31 H new ATOM 0 HD2 LYS A 97 -8.865 -8.522 -1.661 1.00 52.14 H new ATOM 0 HD3 LYS A 97 -9.645 -9.708 -2.689 1.00 52.14 H new ATOM 0 HE2 LYS A 97 -7.528 -11.025 -2.769 1.00 15.21 H new ATOM 0 HE3 LYS A 97 -6.755 -9.841 -1.733 1.00 15.21 H new ATOM 0 HZ1 LYS A 97 -7.428 -11.406 -0.225 1.00 71.14 H new ATOM 0 HZ2 LYS A 97 -8.764 -10.359 -0.174 1.00 71.14 H new ATOM 0 HZ3 LYS A 97 -8.848 -11.801 -1.068 1.00 71.14 H new ATOM 1538 N LEU A 98 -9.130 -10.847 -7.483 1.00 3.33 N ATOM 1539 CA LEU A 98 -9.846 -11.210 -8.700 1.00 72.52 C ATOM 1540 C LEU A 98 -10.247 -12.682 -8.677 1.00 70.01 C ATOM 1541 O LEU A 98 -10.023 -13.381 -7.689 1.00 32.22 O ATOM 1542 CB LEU A 98 -8.981 -10.925 -9.929 1.00 53.12 C ATOM 1543 CG LEU A 98 -8.313 -9.550 -9.975 1.00 73.30 C ATOM 1544 CD1 LEU A 98 -6.928 -9.650 -10.595 1.00 31.33 C ATOM 1545 CD2 LEU A 98 -9.176 -8.564 -10.749 1.00 3.32 C ATOM 0 H LEU A 98 -8.181 -10.506 -7.638 1.00 3.33 H new ATOM 0 HA LEU A 98 -10.752 -10.606 -8.753 1.00 72.52 H new ATOM 0 HB2 LEU A 98 -8.203 -11.687 -9.986 1.00 53.12 H new ATOM 0 HB3 LEU A 98 -9.601 -11.036 -10.819 1.00 53.12 H new ATOM 0 HG LEU A 98 -8.206 -9.185 -8.954 1.00 73.30 H new ATOM 0 HD11 LEU A 98 -6.468 -8.662 -10.619 1.00 31.33 H new ATOM 0 HD12 LEU A 98 -6.311 -10.323 -10.000 1.00 31.33 H new ATOM 0 HD13 LEU A 98 -7.011 -10.037 -11.611 1.00 31.33 H new ATOM 0 HD21 LEU A 98 -8.685 -7.591 -10.772 1.00 3.32 H new ATOM 0 HD22 LEU A 98 -9.315 -8.924 -11.768 1.00 3.32 H new ATOM 0 HD23 LEU A 98 -10.147 -8.470 -10.262 1.00 3.32 H new ATOM 1557 N ASP A 99 -10.838 -13.146 -9.773 1.00 12.05 N ATOM 1558 CA ASP A 99 -11.267 -14.536 -9.880 1.00 13.44 C ATOM 1559 C ASP A 99 -10.802 -15.148 -11.197 1.00 51.11 C ATOM 1560 O ASP A 99 -11.383 -14.894 -12.251 1.00 53.51 O ATOM 1561 CB ASP A 99 -12.790 -14.632 -9.768 1.00 4.24 C ATOM 1562 CG ASP A 99 -13.241 -15.912 -9.092 1.00 3.42 C ATOM 1563 OD1 ASP A 99 -13.218 -16.971 -9.753 1.00 12.24 O ATOM 1564 OD2 ASP A 99 -13.617 -15.854 -7.902 1.00 72.02 O ATOM 0 H ASP A 99 -11.031 -12.580 -10.600 1.00 12.05 H new ATOM 0 HA ASP A 99 -10.814 -15.095 -9.061 1.00 13.44 H new ATOM 0 HB2 ASP A 99 -13.165 -13.776 -9.206 1.00 4.24 H new ATOM 0 HB3 ASP A 99 -13.229 -14.576 -10.764 1.00 4.24 H new ATOM 1569 N GLY A 100 -9.748 -15.956 -11.129 1.00 74.21 N ATOM 1570 CA GLY A 100 -9.222 -16.591 -12.323 1.00 71.02 C ATOM 1571 C GLY A 100 -8.285 -15.685 -13.097 1.00 12.33 C ATOM 1572 O GLY A 100 -7.925 -15.980 -14.236 1.00 12.11 O ATOM 0 H GLY A 100 -9.249 -16.182 -10.268 1.00 74.21 H new ATOM 0 HA2 GLY A 100 -8.693 -17.502 -12.043 1.00 71.02 H new ATOM 0 HA3 GLY A 100 -10.049 -16.888 -12.967 1.00 71.02 H new ATOM 1576 N ALA A 101 -7.891 -14.577 -12.477 1.00 65.04 N ATOM 1577 CA ALA A 101 -6.990 -13.625 -13.115 1.00 3.10 C ATOM 1578 C ALA A 101 -5.588 -14.208 -13.260 1.00 50.40 C ATOM 1579 O ALA A 101 -4.743 -14.047 -12.379 1.00 21.43 O ATOM 1580 CB ALA A 101 -6.945 -12.328 -12.321 1.00 4.22 C ATOM 0 H ALA A 101 -8.181 -14.317 -11.534 1.00 65.04 H new ATOM 0 HA ALA A 101 -7.372 -13.414 -14.114 1.00 3.10 H new ATOM 0 HB1 ALA A 101 -6.268 -11.626 -12.809 1.00 4.22 H new ATOM 0 HB2 ALA A 101 -7.944 -11.895 -12.274 1.00 4.22 H new ATOM 0 HB3 ALA A 101 -6.590 -12.532 -11.311 1.00 4.22 H new ATOM 1586 N THR A 102 -5.347 -14.886 -14.378 1.00 3.13 N ATOM 1587 CA THR A 102 -4.048 -15.494 -14.637 1.00 71.42 C ATOM 1588 C THR A 102 -2.959 -14.435 -14.757 1.00 43.12 C ATOM 1589 O THR A 102 -3.183 -13.263 -14.454 1.00 70.45 O ATOM 1590 CB THR A 102 -4.071 -16.339 -15.925 1.00 62.11 C ATOM 1591 OG1 THR A 102 -4.055 -15.483 -17.073 1.00 34.11 O ATOM 1592 CG2 THR A 102 -5.304 -17.229 -15.967 1.00 24.44 C ATOM 0 H THR A 102 -6.034 -15.028 -15.118 1.00 3.13 H new ATOM 0 HA THR A 102 -3.828 -16.142 -13.789 1.00 71.42 H new ATOM 0 HB THR A 102 -3.185 -16.973 -15.933 1.00 62.11 H new ATOM 0 HG1 THR A 102 -4.068 -16.028 -17.887 1.00 34.11 H new ATOM 0 HG21 THR A 102 -5.298 -17.816 -16.886 1.00 24.44 H new ATOM 0 HG22 THR A 102 -5.298 -17.900 -15.108 1.00 24.44 H new ATOM 0 HG23 THR A 102 -6.201 -16.610 -15.938 1.00 24.44 H new ATOM 1600 N ALA A 103 -1.778 -14.854 -15.201 1.00 73.23 N ATOM 1601 CA ALA A 103 -0.655 -13.940 -15.364 1.00 24.12 C ATOM 1602 C ALA A 103 -0.653 -13.314 -16.754 1.00 61.13 C ATOM 1603 O ALA A 103 0.346 -12.737 -17.185 1.00 73.33 O ATOM 1604 CB ALA A 103 0.658 -14.666 -15.108 1.00 73.32 C ATOM 0 H ALA A 103 -1.575 -15.821 -15.454 1.00 73.23 H new ATOM 0 HA ALA A 103 -0.763 -13.138 -14.634 1.00 24.12 H new ATOM 0 HB1 ALA A 103 1.488 -13.971 -15.233 1.00 73.32 H new ATOM 0 HB2 ALA A 103 0.664 -15.059 -14.091 1.00 73.32 H new ATOM 0 HB3 ALA A 103 0.763 -15.488 -15.816 1.00 73.32 H new ATOM 1610 N VAL A 104 -1.778 -13.432 -17.453 1.00 23.02 N ATOM 1611 CA VAL A 104 -1.906 -12.877 -18.795 1.00 62.20 C ATOM 1612 C VAL A 104 -1.920 -11.353 -18.761 1.00 33.14 C ATOM 1613 O VAL A 104 -1.875 -10.698 -19.801 1.00 61.14 O ATOM 1614 CB VAL A 104 -3.187 -13.376 -19.489 1.00 33.33 C ATOM 1615 CG1 VAL A 104 -4.421 -12.815 -18.799 1.00 33.12 C ATOM 1616 CG2 VAL A 104 -3.174 -13.003 -20.963 1.00 54.33 C ATOM 0 H VAL A 104 -2.614 -13.907 -17.112 1.00 23.02 H new ATOM 0 HA VAL A 104 -1.039 -13.217 -19.362 1.00 62.20 H new ATOM 0 HB VAL A 104 -3.221 -14.463 -19.414 1.00 33.33 H new ATOM 0 HG11 VAL A 104 -5.317 -13.178 -19.303 1.00 33.12 H new ATOM 0 HG12 VAL A 104 -4.434 -13.138 -17.758 1.00 33.12 H new ATOM 0 HG13 VAL A 104 -4.398 -11.726 -18.841 1.00 33.12 H new ATOM 0 HG21 VAL A 104 -4.087 -13.363 -21.438 1.00 54.33 H new ATOM 0 HG22 VAL A 104 -3.116 -11.919 -21.064 1.00 54.33 H new ATOM 0 HG23 VAL A 104 -2.310 -13.459 -21.446 1.00 54.33 H new ATOM 1626 N ALA A 105 -1.983 -10.795 -17.556 1.00 55.53 N ATOM 1627 CA ALA A 105 -2.001 -9.347 -17.386 1.00 33.14 C ATOM 1628 C ALA A 105 -0.773 -8.704 -18.021 1.00 74.14 C ATOM 1629 O ALA A 105 0.267 -9.345 -18.174 1.00 23.42 O ATOM 1630 CB ALA A 105 -2.081 -8.991 -15.909 1.00 2.25 C ATOM 0 H ALA A 105 -2.022 -11.323 -16.684 1.00 55.53 H new ATOM 0 HA ALA A 105 -2.885 -8.957 -17.891 1.00 33.14 H new ATOM 0 HB1 ALA A 105 -2.094 -7.907 -15.796 1.00 2.25 H new ATOM 0 HB2 ALA A 105 -2.992 -9.411 -15.482 1.00 2.25 H new ATOM 0 HB3 ALA A 105 -1.215 -9.400 -15.389 1.00 2.25 H new ATOM 1636 N LEU A 106 -0.901 -7.435 -18.392 1.00 1.35 N ATOM 1637 CA LEU A 106 0.199 -6.705 -19.012 1.00 40.51 C ATOM 1638 C LEU A 106 0.410 -5.356 -18.331 1.00 62.02 C ATOM 1639 O LEU A 106 -0.548 -4.642 -18.039 1.00 1.54 O ATOM 1640 CB LEU A 106 -0.076 -6.499 -20.503 1.00 13.53 C ATOM 1641 CG LEU A 106 0.682 -5.352 -21.173 1.00 72.31 C ATOM 1642 CD1 LEU A 106 2.183 -5.551 -21.032 1.00 40.32 C ATOM 1643 CD2 LEU A 106 0.292 -5.241 -22.640 1.00 1.01 C ATOM 0 H LEU A 106 -1.755 -6.890 -18.274 1.00 1.35 H new ATOM 0 HA LEU A 106 1.107 -7.296 -18.894 1.00 40.51 H new ATOM 0 HB2 LEU A 106 0.166 -7.423 -21.028 1.00 13.53 H new ATOM 0 HB3 LEU A 106 -1.144 -6.328 -20.635 1.00 13.53 H new ATOM 0 HG LEU A 106 0.411 -4.421 -20.674 1.00 72.31 H new ATOM 0 HD11 LEU A 106 2.706 -4.726 -21.515 1.00 40.32 H new ATOM 0 HD12 LEU A 106 2.448 -5.581 -19.975 1.00 40.32 H new ATOM 0 HD13 LEU A 106 2.472 -6.490 -21.505 1.00 40.32 H new ATOM 0 HD21 LEU A 106 0.841 -4.420 -23.101 1.00 1.01 H new ATOM 0 HD22 LEU A 106 0.534 -6.172 -23.152 1.00 1.01 H new ATOM 0 HD23 LEU A 106 -0.778 -5.051 -22.719 1.00 1.01 H new ATOM 1655 N GLU A 107 1.671 -5.015 -18.084 1.00 40.52 N ATOM 1656 CA GLU A 107 2.007 -3.751 -17.439 1.00 40.31 C ATOM 1657 C GLU A 107 3.059 -2.992 -18.243 1.00 25.51 C ATOM 1658 O GLU A 107 4.255 -3.260 -18.128 1.00 61.33 O ATOM 1659 CB GLU A 107 2.516 -3.998 -16.017 1.00 55.33 C ATOM 1660 CG GLU A 107 3.614 -5.044 -15.937 1.00 20.40 C ATOM 1661 CD GLU A 107 3.236 -6.220 -15.058 1.00 20.54 C ATOM 1662 OE1 GLU A 107 2.903 -5.995 -13.875 1.00 60.24 O ATOM 1663 OE2 GLU A 107 3.273 -7.367 -15.553 1.00 2.45 O ATOM 0 H GLU A 107 2.476 -5.596 -18.320 1.00 40.52 H new ATOM 0 HA GLU A 107 1.103 -3.144 -17.393 1.00 40.31 H new ATOM 0 HB2 GLU A 107 2.889 -3.060 -15.606 1.00 55.33 H new ATOM 0 HB3 GLU A 107 1.681 -4.311 -15.391 1.00 55.33 H new ATOM 0 HG2 GLU A 107 3.842 -5.404 -16.940 1.00 20.40 H new ATOM 0 HG3 GLU A 107 4.523 -4.583 -15.550 1.00 20.40 H new ATOM 1670 N ALA A 108 2.605 -2.045 -19.057 1.00 31.32 N ATOM 1671 CA ALA A 108 3.506 -1.247 -19.879 1.00 21.23 C ATOM 1672 C ALA A 108 3.012 0.190 -19.998 1.00 54.45 C ATOM 1673 O ALA A 108 1.808 0.439 -20.081 1.00 63.24 O ATOM 1674 CB ALA A 108 3.656 -1.872 -21.258 1.00 31.54 C ATOM 0 H ALA A 108 1.618 -1.812 -19.165 1.00 31.32 H new ATOM 0 HA ALA A 108 4.481 -1.229 -19.393 1.00 21.23 H new ATOM 0 HB1 ALA A 108 4.332 -1.265 -21.861 1.00 31.54 H new ATOM 0 HB2 ALA A 108 4.063 -2.878 -21.159 1.00 31.54 H new ATOM 0 HB3 ALA A 108 2.681 -1.921 -21.743 1.00 31.54 H new ATOM 1680 N HIS A 109 3.947 1.135 -20.006 1.00 64.54 N ATOM 1681 CA HIS A 109 3.606 2.548 -20.116 1.00 11.40 C ATOM 1682 C HIS A 109 3.862 3.061 -21.530 1.00 74.01 C ATOM 1683 O HIS A 109 5.003 3.323 -21.908 1.00 10.13 O ATOM 1684 CB HIS A 109 4.413 3.369 -19.110 1.00 1.13 C ATOM 1685 CG HIS A 109 4.311 4.848 -19.324 1.00 33.13 C ATOM 1686 ND1 HIS A 109 5.339 5.722 -19.042 1.00 42.10 N ATOM 1687 CD2 HIS A 109 3.294 5.606 -19.797 1.00 32.33 C ATOM 1688 CE1 HIS A 109 4.959 6.954 -19.331 1.00 32.22 C ATOM 1689 NE2 HIS A 109 3.721 6.911 -19.791 1.00 65.41 N ATOM 0 H HIS A 109 4.947 0.947 -19.938 1.00 64.54 H new ATOM 0 HA HIS A 109 2.544 2.658 -19.895 1.00 11.40 H new ATOM 0 HB2 HIS A 109 4.071 3.132 -18.103 1.00 1.13 H new ATOM 0 HB3 HIS A 109 5.460 3.073 -19.169 1.00 1.13 H new ATOM 0 HD2 HIS A 109 2.326 5.250 -20.119 1.00 32.33 H new ATOM 0 HE1 HIS A 109 5.558 7.845 -19.212 1.00 32.22 H new ATOM 0 HE2 HIS A 109 3.172 7.716 -20.092 1.00 65.41 H new ATOM 1697 N GLU A 110 2.792 3.200 -22.306 1.00 55.35 N ATOM 1698 CA GLU A 110 2.902 3.680 -23.679 1.00 73.21 C ATOM 1699 C GLU A 110 1.549 4.160 -24.198 1.00 4.32 C ATOM 1700 O GLU A 110 0.501 3.718 -23.730 1.00 73.20 O ATOM 1701 CB GLU A 110 3.445 2.574 -24.587 1.00 10.50 C ATOM 1702 CG GLU A 110 2.847 1.206 -24.305 1.00 0.40 C ATOM 1703 CD GLU A 110 2.940 0.272 -25.496 1.00 5.13 C ATOM 1704 OE1 GLU A 110 2.260 0.535 -26.510 1.00 20.54 O ATOM 1705 OE2 GLU A 110 3.693 -0.721 -25.414 1.00 1.21 O ATOM 0 H GLU A 110 1.840 2.987 -22.008 1.00 55.35 H new ATOM 0 HA GLU A 110 3.595 4.521 -23.688 1.00 73.21 H new ATOM 0 HB2 GLU A 110 3.249 2.840 -25.626 1.00 10.50 H new ATOM 0 HB3 GLU A 110 4.527 2.519 -24.471 1.00 10.50 H new ATOM 0 HG2 GLU A 110 3.361 0.757 -23.455 1.00 0.40 H new ATOM 0 HG3 GLU A 110 1.801 1.322 -24.020 1.00 0.40 H new ATOM 1712 N MET A 111 1.583 5.069 -25.167 1.00 11.32 N ATOM 1713 CA MET A 111 0.360 5.610 -25.750 1.00 23.33 C ATOM 1714 C MET A 111 -0.326 4.572 -26.633 1.00 4.30 C ATOM 1715 O MET A 111 -1.547 4.578 -26.779 1.00 31.50 O ATOM 1716 CB MET A 111 0.671 6.866 -26.566 1.00 0.03 C ATOM 1717 CG MET A 111 -0.499 7.349 -27.406 1.00 55.45 C ATOM 1718 SD MET A 111 -0.204 8.968 -28.143 1.00 43.32 S ATOM 1719 CE MET A 111 1.122 8.584 -29.285 1.00 20.25 C ATOM 0 H MET A 111 2.443 5.446 -25.565 1.00 11.32 H new ATOM 0 HA MET A 111 -0.316 5.873 -24.936 1.00 23.33 H new ATOM 0 HB2 MET A 111 0.975 7.664 -25.888 1.00 0.03 H new ATOM 0 HB3 MET A 111 1.519 6.664 -27.221 1.00 0.03 H new ATOM 0 HG2 MET A 111 -0.697 6.625 -28.196 1.00 55.45 H new ATOM 0 HG3 MET A 111 -1.393 7.395 -26.784 1.00 55.45 H new ATOM 0 HE1 MET A 111 1.296 9.437 -29.941 1.00 20.25 H new ATOM 0 HE2 MET A 111 2.032 8.365 -28.726 1.00 20.25 H new ATOM 0 HE3 MET A 111 0.846 7.716 -29.884 1.00 20.25 H new ATOM 1729 N GLY A 112 0.469 3.683 -27.221 1.00 3.13 N ATOM 1730 CA GLY A 112 -0.080 2.653 -28.082 1.00 62.45 C ATOM 1731 C GLY A 112 -0.955 1.672 -27.328 1.00 74.11 C ATOM 1732 O GLY A 112 -1.679 0.882 -27.935 1.00 34.05 O ATOM 0 H GLY A 112 1.483 3.658 -27.116 1.00 3.13 H new ATOM 0 HA2 GLY A 112 -0.664 3.120 -28.875 1.00 62.45 H new ATOM 0 HA3 GLY A 112 0.736 2.113 -28.562 1.00 62.45 H new ATOM 1736 N ASP A 113 -0.889 1.720 -26.002 1.00 42.43 N ATOM 1737 CA ASP A 113 -1.682 0.829 -25.164 1.00 25.33 C ATOM 1738 C ASP A 113 -3.170 1.136 -25.299 1.00 23.12 C ATOM 1739 O ASP A 113 -4.009 0.237 -25.227 1.00 11.33 O ATOM 1740 CB ASP A 113 -1.253 0.954 -23.701 1.00 1.41 C ATOM 1741 CG ASP A 113 -1.043 -0.394 -23.041 1.00 72.31 C ATOM 1742 OD1 ASP A 113 -1.705 -1.367 -23.458 1.00 32.51 O ATOM 1743 OD2 ASP A 113 -0.218 -0.477 -22.107 1.00 43.44 O ATOM 0 H ASP A 113 -0.294 2.367 -25.484 1.00 42.43 H new ATOM 0 HA ASP A 113 -1.509 -0.194 -25.499 1.00 25.33 H new ATOM 0 HB2 ASP A 113 -0.330 1.530 -23.644 1.00 1.41 H new ATOM 0 HB3 ASP A 113 -2.011 1.511 -23.150 1.00 1.41 H new ATOM 1748 N LEU A 114 -3.490 2.410 -25.494 1.00 10.21 N ATOM 1749 CA LEU A 114 -4.878 2.837 -25.638 1.00 64.11 C ATOM 1750 C LEU A 114 -5.224 3.076 -27.104 1.00 73.22 C ATOM 1751 O LEU A 114 -6.297 3.589 -27.423 1.00 65.41 O ATOM 1752 CB LEU A 114 -5.127 4.111 -24.829 1.00 43.02 C ATOM 1753 CG LEU A 114 -5.292 3.927 -23.320 1.00 61.53 C ATOM 1754 CD1 LEU A 114 -3.977 3.498 -22.688 1.00 2.43 C ATOM 1755 CD2 LEU A 114 -5.802 5.209 -22.679 1.00 22.21 C ATOM 0 H LEU A 114 -2.808 3.166 -25.556 1.00 10.21 H new ATOM 0 HA LEU A 114 -5.519 2.042 -25.257 1.00 64.11 H new ATOM 0 HB2 LEU A 114 -4.297 4.796 -25.003 1.00 43.02 H new ATOM 0 HB3 LEU A 114 -6.024 4.594 -25.216 1.00 43.02 H new ATOM 0 HG LEU A 114 -6.027 3.141 -23.147 1.00 61.53 H new ATOM 0 HD11 LEU A 114 -4.114 3.372 -21.614 1.00 2.43 H new ATOM 0 HD12 LEU A 114 -3.654 2.554 -23.126 1.00 2.43 H new ATOM 0 HD13 LEU A 114 -3.220 4.261 -22.870 1.00 2.43 H new ATOM 0 HD21 LEU A 114 -5.913 5.059 -21.605 1.00 22.21 H new ATOM 0 HD22 LEU A 114 -5.091 6.015 -22.861 1.00 22.21 H new ATOM 0 HD23 LEU A 114 -6.768 5.473 -23.111 1.00 22.21 H new ATOM 1767 N ALA A 115 -4.310 2.699 -27.992 1.00 72.41 N ATOM 1768 CA ALA A 115 -4.521 2.868 -29.424 1.00 70.24 C ATOM 1769 C ALA A 115 -5.593 1.912 -29.938 1.00 45.23 C ATOM 1770 O ALA A 115 -6.633 2.325 -30.450 1.00 53.40 O ATOM 1771 CB ALA A 115 -3.217 2.656 -30.179 1.00 24.05 C ATOM 0 H ALA A 115 -3.416 2.274 -27.745 1.00 72.41 H new ATOM 0 HA ALA A 115 -4.867 3.887 -29.597 1.00 70.24 H new ATOM 0 HB1 ALA A 115 -3.390 2.785 -31.247 1.00 24.05 H new ATOM 0 HB2 ALA A 115 -2.478 3.382 -29.840 1.00 24.05 H new ATOM 0 HB3 ALA A 115 -2.847 1.648 -29.991 1.00 24.05 H new ATOM 1777 N PRO A 116 -5.334 0.603 -29.801 1.00 13.12 N ATOM 1778 CA PRO A 116 -6.265 -0.438 -30.246 1.00 31.35 C ATOM 1779 C PRO A 116 -7.524 -0.496 -29.386 1.00 64.34 C ATOM 1780 O PRO A 116 -8.588 -0.903 -29.853 1.00 73.25 O ATOM 1781 CB PRO A 116 -5.454 -1.728 -30.093 1.00 40.55 C ATOM 1782 CG PRO A 116 -4.446 -1.419 -29.041 1.00 10.13 C ATOM 1783 CD PRO A 116 -4.114 0.039 -29.200 1.00 61.00 C ATOM 0 HA PRO A 116 -6.621 -0.259 -31.261 1.00 31.35 H new ATOM 0 HB2 PRO A 116 -6.090 -2.563 -29.799 1.00 40.55 H new ATOM 0 HB3 PRO A 116 -4.974 -2.008 -31.031 1.00 40.55 H new ATOM 0 HG2 PRO A 116 -4.845 -1.622 -28.047 1.00 10.13 H new ATOM 0 HG3 PRO A 116 -3.556 -2.037 -29.160 1.00 10.13 H new ATOM 0 HD2 PRO A 116 -3.885 0.506 -28.242 1.00 61.00 H new ATOM 0 HD3 PRO A 116 -3.245 0.186 -29.842 1.00 61.00 H new ATOM 1791 N LEU A 117 -7.395 -0.087 -28.129 1.00 53.02 N ATOM 1792 CA LEU A 117 -8.523 -0.092 -27.204 1.00 53.21 C ATOM 1793 C LEU A 117 -9.732 0.609 -27.816 1.00 33.31 C ATOM 1794 O LEU A 117 -10.793 0.007 -27.980 1.00 52.21 O ATOM 1795 CB LEU A 117 -8.135 0.590 -25.891 1.00 44.43 C ATOM 1796 CG LEU A 117 -7.501 -0.309 -24.829 1.00 73.23 C ATOM 1797 CD1 LEU A 117 -8.570 -1.111 -24.102 1.00 50.53 C ATOM 1798 CD2 LEU A 117 -6.473 -1.237 -25.460 1.00 53.12 C ATOM 0 H LEU A 117 -6.521 0.252 -27.727 1.00 53.02 H new ATOM 0 HA LEU A 117 -8.791 -1.129 -27.002 1.00 53.21 H new ATOM 0 HB2 LEU A 117 -7.439 1.398 -26.116 1.00 44.43 H new ATOM 0 HB3 LEU A 117 -9.028 1.048 -25.465 1.00 44.43 H new ATOM 0 HG LEU A 117 -6.992 0.323 -24.102 1.00 73.23 H new ATOM 0 HD11 LEU A 117 -8.101 -1.745 -23.350 1.00 50.53 H new ATOM 0 HD12 LEU A 117 -9.269 -0.430 -23.617 1.00 50.53 H new ATOM 0 HD13 LEU A 117 -9.107 -1.734 -24.817 1.00 50.53 H new ATOM 0 HD21 LEU A 117 -6.032 -1.869 -24.689 1.00 53.12 H new ATOM 0 HD22 LEU A 117 -6.959 -1.863 -26.209 1.00 53.12 H new ATOM 0 HD23 LEU A 117 -5.691 -0.645 -25.934 1.00 53.12 H new ATOM 1810 N ALA A 118 -9.563 1.883 -28.153 1.00 53.02 N ATOM 1811 CA ALA A 118 -10.639 2.664 -28.751 1.00 0.20 C ATOM 1812 C ALA A 118 -10.152 4.053 -29.151 1.00 33.12 C ATOM 1813 O ALA A 118 -10.278 4.456 -30.308 1.00 13.02 O ATOM 1814 CB ALA A 118 -11.812 2.771 -27.788 1.00 21.13 C ATOM 0 H ALA A 118 -8.691 2.396 -28.022 1.00 53.02 H new ATOM 0 HA ALA A 118 -10.970 2.150 -29.653 1.00 0.20 H new ATOM 0 HB1 ALA A 118 -12.608 3.357 -28.248 1.00 21.13 H new ATOM 0 HB2 ALA A 118 -12.184 1.773 -27.555 1.00 21.13 H new ATOM 0 HB3 ALA A 118 -11.486 3.260 -26.870 1.00 21.13 H new TER 1820 ALA A 118