USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 713 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 Single : A 90 SER OG : rot 45:sc=0.000969 USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0.004 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.771 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= -0.0729 USER MOD Single : A 99 THR OG1 : rot -140:sc= -1.01 USER MOD Single : A 115 LYS NZ :NH3+ 144:sc= 0.0532 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 MET CE :methyl -137:sc= -0.75 (180deg=-4.09!) USER MOD Single : A 122 CYS SG : rot -130:sc= 0.752 USER MOD Single : A 123 ASN : amide:sc= -3.43! C(o=-3.4!,f=-4.8!) USER MOD Single : A 125 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 126 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00597) USER MOD Single : A 127 MET CE :methyl 142:sc= -3.11 (180deg=-5.98!) USER MOD Single : A 129 THR OG1 : rot -160:sc= 0 USER MOD Single : A 138 THR OG1 : rot 180:sc= 0 USER MOD Single : A 140 THR OG1 : rot 62:sc= 1.01 USER MOD Single : A 141 HIS : no HE2:sc= -0.833 X(o=-0.83,f=-0.49) USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD Single : A 146 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 147 HIS : no HD1:sc= -0.118 X(o=-0.12,f=-0.0077) USER MOD Single : A 149 CYS SG : rot 180:sc= -0.0205 USER MOD Single : A 150 TYR OH : rot 180:sc= 0 USER MOD Single : A 152 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.142) USER MOD Single : A 155 SER OG : rot 180:sc= 0 USER MOD Single : A 156 SER OG : rot 180:sc= 0 USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 165 HIS :FLIP no HD1:sc= -1.11 F(o=-2.2,f=-1.1) USER MOD Single : A 166 THR OG1 : rot 43:sc= 0.743 USER MOD Single : A 171 ASN : amide:sc= -0.0161 X(o=-0.016,f=0) USER MOD Single : A 178 THR OG1 : rot -140:sc= 0 USER MOD Single : A 179 GLN : amide:sc= -0.118 K(o=-0.12,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 86 -9.538 -10.707 -15.559 1.00 75.54 N ATOM 2 CA GLY A 86 -8.848 -11.943 -15.241 1.00 62.32 C ATOM 3 C GLY A 86 -7.886 -11.788 -14.081 1.00 23.54 C ATOM 4 O GLY A 86 -7.917 -10.798 -13.348 1.00 65.10 O ATOM 0 HA2 GLY A 86 -9.581 -12.713 -15.001 1.00 62.32 H new ATOM 0 HA3 GLY A 86 -8.301 -12.286 -16.119 1.00 62.32 H new ATOM 8 N PRO A 87 -7.007 -12.784 -13.898 1.00 34.33 N ATOM 9 CA PRO A 87 -6.016 -12.778 -12.817 1.00 50.15 C ATOM 10 C PRO A 87 -4.930 -11.729 -13.034 1.00 43.14 C ATOM 11 O PRO A 87 -4.964 -10.978 -14.010 1.00 3.34 O ATOM 12 CB PRO A 87 -5.418 -14.185 -12.876 1.00 33.20 C ATOM 13 CG PRO A 87 -5.625 -14.627 -14.284 1.00 2.45 C ATOM 14 CD PRO A 87 -6.913 -13.994 -14.731 1.00 61.50 C ATOM 0 HA PRO A 87 -6.464 -12.530 -11.855 1.00 50.15 H new ATOM 0 HB2 PRO A 87 -4.360 -14.176 -12.616 1.00 33.20 H new ATOM 0 HB3 PRO A 87 -5.914 -14.855 -12.174 1.00 33.20 H new ATOM 0 HG2 PRO A 87 -4.795 -14.313 -14.918 1.00 2.45 H new ATOM 0 HG3 PRO A 87 -5.681 -15.714 -14.348 1.00 2.45 H new ATOM 0 HD2 PRO A 87 -6.893 -13.750 -15.793 1.00 61.50 H new ATOM 0 HD3 PRO A 87 -7.763 -14.658 -14.572 1.00 61.50 H new ATOM 22 N LEU A 88 -3.968 -11.683 -12.119 1.00 55.32 N ATOM 23 CA LEU A 88 -2.871 -10.725 -12.210 1.00 72.41 C ATOM 24 C LEU A 88 -1.688 -11.170 -11.357 1.00 65.34 C ATOM 25 O LEU A 88 -1.631 -10.892 -10.160 1.00 54.23 O ATOM 26 CB LEU A 88 -3.340 -9.338 -11.768 1.00 33.40 C ATOM 27 CG LEU A 88 -3.757 -8.382 -12.886 1.00 31.32 C ATOM 28 CD1 LEU A 88 -5.259 -8.148 -12.855 1.00 40.01 C ATOM 29 CD2 LEU A 88 -3.007 -7.064 -12.766 1.00 41.43 C ATOM 0 H LEU A 88 -3.925 -12.297 -11.306 1.00 55.32 H new ATOM 0 HA LEU A 88 -2.548 -10.678 -13.250 1.00 72.41 H new ATOM 0 HB2 LEU A 88 -4.184 -9.461 -11.089 1.00 33.40 H new ATOM 0 HB3 LEU A 88 -2.538 -8.870 -11.198 1.00 33.40 H new ATOM 0 HG LEU A 88 -3.501 -8.837 -13.843 1.00 31.32 H new ATOM 0 HD11 LEU A 88 -5.537 -7.465 -13.658 1.00 40.01 H new ATOM 0 HD12 LEU A 88 -5.778 -9.097 -12.990 1.00 40.01 H new ATOM 0 HD13 LEU A 88 -5.540 -7.714 -11.895 1.00 40.01 H new ATOM 0 HD21 LEU A 88 -3.316 -6.395 -13.569 1.00 41.43 H new ATOM 0 HD22 LEU A 88 -3.232 -6.604 -11.804 1.00 41.43 H new ATOM 0 HD23 LEU A 88 -1.935 -7.247 -12.838 1.00 41.43 H new ATOM 41 N GLY A 89 -0.741 -11.863 -11.983 1.00 42.04 N ATOM 42 CA GLY A 89 0.430 -12.334 -11.268 1.00 25.14 C ATOM 43 C GLY A 89 1.622 -11.413 -11.435 1.00 23.14 C ATOM 44 O GLY A 89 1.464 -10.199 -11.558 1.00 13.42 O ATOM 0 H GLY A 89 -0.765 -12.106 -12.973 1.00 42.04 H new ATOM 0 HA2 GLY A 89 0.192 -12.426 -10.208 1.00 25.14 H new ATOM 0 HA3 GLY A 89 0.692 -13.330 -11.624 1.00 25.14 H new ATOM 48 N SER A 90 2.819 -11.990 -11.437 1.00 44.32 N ATOM 49 CA SER A 90 4.043 -11.212 -11.585 1.00 4.44 C ATOM 50 C SER A 90 5.255 -12.126 -11.726 1.00 2.20 C ATOM 51 O SER A 90 5.545 -12.931 -10.841 1.00 10.11 O ATOM 52 CB SER A 90 4.229 -10.281 -10.385 1.00 13.32 C ATOM 53 OG SER A 90 3.864 -10.928 -9.178 1.00 1.24 O ATOM 0 H SER A 90 2.967 -12.994 -11.338 1.00 44.32 H new ATOM 0 HA SER A 90 3.955 -10.613 -12.491 1.00 4.44 H new ATOM 0 HB2 SER A 90 5.269 -9.958 -10.329 1.00 13.32 H new ATOM 0 HB3 SER A 90 3.624 -9.385 -10.519 1.00 13.32 H new ATOM 0 HG SER A 90 4.242 -11.832 -9.164 1.00 1.24 H new ATOM 59 N GLU A 91 5.960 -11.996 -12.846 1.00 21.00 N ATOM 60 CA GLU A 91 7.142 -12.811 -13.103 1.00 71.55 C ATOM 61 C GLU A 91 8.395 -12.148 -12.541 1.00 44.24 C ATOM 62 O GLU A 91 9.016 -12.658 -11.610 1.00 40.22 O ATOM 63 CB GLU A 91 7.307 -13.049 -14.606 1.00 73.53 C ATOM 64 CG GLU A 91 8.321 -14.129 -14.944 1.00 22.03 C ATOM 65 CD GLU A 91 9.259 -13.720 -16.062 1.00 15.23 C ATOM 66 OE1 GLU A 91 8.764 -13.333 -17.142 1.00 35.35 O ATOM 67 OE2 GLU A 91 10.489 -13.785 -15.858 1.00 21.25 O ATOM 0 H GLU A 91 5.733 -11.335 -13.589 1.00 21.00 H new ATOM 0 HA GLU A 91 7.006 -13.770 -12.603 1.00 71.55 H new ATOM 0 HB2 GLU A 91 6.341 -13.324 -15.030 1.00 73.53 H new ATOM 0 HB3 GLU A 91 7.610 -12.116 -15.082 1.00 73.53 H new ATOM 0 HG2 GLU A 91 8.904 -14.366 -14.054 1.00 22.03 H new ATOM 0 HG3 GLU A 91 7.794 -15.039 -15.231 1.00 22.03 H new ATOM 74 N ASN A 92 8.760 -11.006 -13.115 1.00 41.55 N ATOM 75 CA ASN A 92 9.940 -10.272 -12.673 1.00 42.31 C ATOM 76 C ASN A 92 10.047 -8.929 -13.393 1.00 34.42 C ATOM 77 O ASN A 92 10.009 -8.868 -14.621 1.00 51.22 O ATOM 78 CB ASN A 92 11.204 -11.097 -12.922 1.00 75.11 C ATOM 79 CG ASN A 92 12.468 -10.267 -12.813 1.00 22.13 C ATOM 80 OD1 ASN A 92 13.234 -10.153 -13.769 1.00 43.22 O ATOM 81 ND2 ASN A 92 12.692 -9.684 -11.641 1.00 4.52 N ATOM 0 H ASN A 92 8.256 -10.569 -13.887 1.00 41.55 H new ATOM 0 HA ASN A 92 9.841 -10.086 -11.604 1.00 42.31 H new ATOM 0 HB2 ASN A 92 11.247 -11.916 -12.204 1.00 75.11 H new ATOM 0 HB3 ASN A 92 11.152 -11.546 -13.914 1.00 75.11 H new ATOM 0 HD21 ASN A 92 13.527 -9.114 -11.506 1.00 4.52 H new ATOM 0 HD22 ASN A 92 12.029 -9.806 -10.876 1.00 4.52 H new ATOM 88 N ARG A 93 10.180 -7.858 -12.617 1.00 23.22 N ATOM 89 CA ARG A 93 10.291 -6.518 -13.179 1.00 42.33 C ATOM 90 C ARG A 93 11.276 -5.672 -12.376 1.00 51.33 C ATOM 91 O ARG A 93 11.522 -5.937 -11.200 1.00 62.04 O ATOM 92 CB ARG A 93 8.921 -5.838 -13.206 1.00 42.13 C ATOM 93 CG ARG A 93 8.731 -4.899 -14.386 1.00 23.03 C ATOM 94 CD ARG A 93 8.020 -5.590 -15.539 1.00 65.23 C ATOM 95 NE ARG A 93 7.744 -4.672 -16.641 1.00 33.03 N ATOM 96 CZ ARG A 93 8.651 -4.313 -17.543 1.00 74.41 C ATOM 97 NH1 ARG A 93 9.885 -4.792 -17.474 1.00 21.14 N ATOM 98 NH2 ARG A 93 8.323 -3.473 -18.516 1.00 43.14 N ATOM 0 H ARG A 93 10.213 -7.893 -11.598 1.00 23.22 H new ATOM 0 HA ARG A 93 10.664 -6.608 -14.199 1.00 42.33 H new ATOM 0 HB2 ARG A 93 8.145 -6.603 -13.233 1.00 42.13 H new ATOM 0 HB3 ARG A 93 8.784 -5.278 -12.281 1.00 42.13 H new ATOM 0 HG2 ARG A 93 8.155 -4.029 -14.071 1.00 23.03 H new ATOM 0 HG3 ARG A 93 9.702 -4.534 -14.722 1.00 23.03 H new ATOM 0 HD2 ARG A 93 8.633 -6.416 -15.900 1.00 65.23 H new ATOM 0 HD3 ARG A 93 7.084 -6.020 -15.182 1.00 65.23 H new ATOM 0 HE ARG A 93 6.804 -4.285 -16.723 1.00 33.03 H new ATOM 0 HH11 ARG A 93 10.140 -5.438 -16.727 1.00 21.14 H new ATOM 0 HH12 ARG A 93 10.579 -4.515 -18.168 1.00 21.14 H new ATOM 0 HH21 ARG A 93 7.374 -3.103 -18.572 1.00 43.14 H new ATOM 0 HH22 ARG A 93 9.020 -3.198 -19.208 1.00 43.14 H new ATOM 112 N SER A 94 11.835 -4.653 -13.022 1.00 32.04 N ATOM 113 CA SER A 94 12.795 -3.771 -12.369 1.00 5.12 C ATOM 114 C SER A 94 12.206 -2.378 -12.172 1.00 32.14 C ATOM 115 O SER A 94 12.340 -1.506 -13.031 1.00 35.00 O ATOM 116 CB SER A 94 14.080 -3.681 -13.196 1.00 32.21 C ATOM 117 OG SER A 94 13.813 -3.861 -14.575 1.00 21.32 O ATOM 0 H SER A 94 11.640 -4.418 -13.995 1.00 32.04 H new ATOM 0 HA SER A 94 13.029 -4.190 -11.390 1.00 5.12 H new ATOM 0 HB2 SER A 94 14.551 -2.711 -13.037 1.00 32.21 H new ATOM 0 HB3 SER A 94 14.788 -4.438 -12.858 1.00 32.21 H new ATOM 0 HG SER A 94 14.650 -3.797 -15.081 1.00 21.32 H new ATOM 123 N LYS A 95 11.553 -2.175 -11.032 1.00 22.12 N ATOM 124 CA LYS A 95 10.943 -0.888 -10.718 1.00 20.32 C ATOM 125 C LYS A 95 11.305 -0.445 -9.304 1.00 21.33 C ATOM 126 O LYS A 95 11.943 -1.186 -8.553 1.00 55.51 O ATOM 127 CB LYS A 95 9.422 -0.973 -10.864 1.00 33.34 C ATOM 128 CG LYS A 95 8.811 0.228 -11.566 1.00 73.41 C ATOM 129 CD LYS A 95 7.988 -0.192 -12.773 1.00 44.34 C ATOM 130 CE LYS A 95 7.255 0.990 -13.386 1.00 2.10 C ATOM 131 NZ LYS A 95 6.281 0.561 -14.428 1.00 23.31 N ATOM 0 H LYS A 95 11.433 -2.886 -10.310 1.00 22.12 H new ATOM 0 HA LYS A 95 11.329 -0.150 -11.421 1.00 20.32 H new ATOM 0 HB2 LYS A 95 9.168 -1.876 -11.419 1.00 33.34 H new ATOM 0 HB3 LYS A 95 8.975 -1.071 -9.875 1.00 33.34 H new ATOM 0 HG2 LYS A 95 8.180 0.777 -10.867 1.00 73.41 H new ATOM 0 HG3 LYS A 95 9.602 0.907 -11.882 1.00 73.41 H new ATOM 0 HD2 LYS A 95 8.640 -0.644 -13.520 1.00 44.34 H new ATOM 0 HD3 LYS A 95 7.267 -0.954 -12.476 1.00 44.34 H new ATOM 0 HE2 LYS A 95 6.731 1.538 -12.603 1.00 2.10 H new ATOM 0 HE3 LYS A 95 7.978 1.677 -13.826 1.00 2.10 H new ATOM 0 HZ1 LYS A 95 5.802 1.397 -14.821 1.00 23.31 H new ATOM 0 HZ2 LYS A 95 6.784 0.061 -15.188 1.00 23.31 H new ATOM 0 HZ3 LYS A 95 5.575 -0.074 -14.003 1.00 23.31 H new ATOM 145 N THR A 96 10.892 0.766 -8.944 1.00 1.40 N ATOM 146 CA THR A 96 11.173 1.307 -7.620 1.00 33.42 C ATOM 147 C THR A 96 9.976 2.080 -7.077 1.00 62.45 C ATOM 148 O THR A 96 10.117 2.918 -6.186 1.00 52.32 O ATOM 149 CB THR A 96 12.403 2.235 -7.641 1.00 34.52 C ATOM 150 OG1 THR A 96 12.762 2.602 -6.304 1.00 63.23 O ATOM 151 CG2 THR A 96 12.121 3.487 -8.457 1.00 2.02 C ATOM 0 H THR A 96 10.362 1.391 -9.551 1.00 1.40 H new ATOM 0 HA THR A 96 11.380 0.458 -6.969 1.00 33.42 H new ATOM 0 HB THR A 96 13.230 1.697 -8.104 1.00 34.52 H new ATOM 0 HG1 THR A 96 13.545 3.191 -6.325 1.00 63.23 H new ATOM 0 HG21 THR A 96 13.003 4.127 -8.458 1.00 2.02 H new ATOM 0 HG22 THR A 96 11.876 3.206 -9.481 1.00 2.02 H new ATOM 0 HG23 THR A 96 11.282 4.026 -8.018 1.00 2.02 H new ATOM 159 N THR A 97 8.796 1.793 -7.619 1.00 63.31 N ATOM 160 CA THR A 97 7.575 2.461 -7.190 1.00 2.15 C ATOM 161 C THR A 97 6.342 1.648 -7.566 1.00 75.02 C ATOM 162 O THR A 97 6.176 1.253 -8.720 1.00 2.33 O ATOM 163 CB THR A 97 7.457 3.868 -7.807 1.00 62.54 C ATOM 164 OG1 THR A 97 8.028 3.875 -9.120 1.00 11.52 O ATOM 165 CG2 THR A 97 8.158 4.901 -6.938 1.00 64.31 C ATOM 0 H THR A 97 8.661 1.102 -8.357 1.00 63.31 H new ATOM 0 HA THR A 97 7.629 2.552 -6.105 1.00 2.15 H new ATOM 0 HB THR A 97 6.400 4.127 -7.869 1.00 62.54 H new ATOM 0 HG1 THR A 97 7.948 4.772 -9.507 1.00 11.52 H new ATOM 0 HG21 THR A 97 8.061 5.886 -7.394 1.00 64.31 H new ATOM 0 HG22 THR A 97 7.702 4.913 -5.948 1.00 64.31 H new ATOM 0 HG23 THR A 97 9.214 4.645 -6.848 1.00 64.31 H new ATOM 173 N SER A 98 5.479 1.403 -6.585 1.00 61.05 N ATOM 174 CA SER A 98 4.261 0.634 -6.814 1.00 31.31 C ATOM 175 C SER A 98 3.038 1.545 -6.829 1.00 72.12 C ATOM 176 O SER A 98 2.994 2.557 -6.130 1.00 34.54 O ATOM 177 CB SER A 98 4.099 -0.438 -5.735 1.00 32.23 C ATOM 178 OG SER A 98 4.685 -1.664 -6.140 1.00 14.55 O ATOM 0 H SER A 98 5.600 1.725 -5.625 1.00 61.05 H new ATOM 0 HA SER A 98 4.344 0.150 -7.787 1.00 31.31 H new ATOM 0 HB2 SER A 98 4.562 -0.099 -4.809 1.00 32.23 H new ATOM 0 HB3 SER A 98 3.040 -0.590 -5.525 1.00 32.23 H new ATOM 0 HG SER A 98 4.569 -2.332 -5.432 1.00 14.55 H new ATOM 184 N THR A 99 2.044 1.178 -7.634 1.00 12.22 N ATOM 185 CA THR A 99 0.820 1.961 -7.742 1.00 0.24 C ATOM 186 C THR A 99 -0.411 1.062 -7.737 1.00 24.23 C ATOM 187 O THR A 99 -0.424 0.008 -8.371 1.00 44.22 O ATOM 188 CB THR A 99 0.812 2.815 -9.024 1.00 14.44 C ATOM 189 OG1 THR A 99 1.568 2.165 -10.051 1.00 0.20 O ATOM 190 CG2 THR A 99 1.392 4.197 -8.758 1.00 33.01 C ATOM 0 H THR A 99 2.064 0.343 -8.220 1.00 12.22 H new ATOM 0 HA THR A 99 0.789 2.620 -6.874 1.00 0.24 H new ATOM 0 HB THR A 99 -0.221 2.929 -9.351 1.00 14.44 H new ATOM 0 HG1 THR A 99 2.090 2.832 -10.545 1.00 0.20 H new ATOM 0 HG21 THR A 99 1.376 4.782 -9.678 1.00 33.01 H new ATOM 0 HG22 THR A 99 0.796 4.701 -7.997 1.00 33.01 H new ATOM 0 HG23 THR A 99 2.420 4.099 -8.408 1.00 33.01 H new ATOM 198 N TRP A 100 -1.443 1.485 -7.016 1.00 54.42 N ATOM 199 CA TRP A 100 -2.680 0.718 -6.929 1.00 62.33 C ATOM 200 C TRP A 100 -3.895 1.616 -7.133 1.00 2.22 C ATOM 201 O TRP A 100 -4.083 2.595 -6.410 1.00 12.41 O ATOM 202 CB TRP A 100 -2.773 0.013 -5.575 1.00 21.40 C ATOM 203 CG TRP A 100 -1.591 -0.860 -5.277 1.00 51.12 C ATOM 204 CD1 TRP A 100 -1.354 -2.113 -5.766 1.00 41.51 C ATOM 205 CD2 TRP A 100 -0.487 -0.546 -4.422 1.00 12.32 C ATOM 206 NE1 TRP A 100 -0.168 -2.596 -5.267 1.00 13.14 N ATOM 207 CE2 TRP A 100 0.382 -1.653 -4.439 1.00 64.34 C ATOM 208 CE3 TRP A 100 -0.148 0.565 -3.644 1.00 4.21 C ATOM 209 CZ2 TRP A 100 1.568 -1.681 -3.709 1.00 33.23 C ATOM 210 CZ3 TRP A 100 1.029 0.535 -2.918 1.00 53.41 C ATOM 211 CH2 TRP A 100 1.875 -0.581 -2.956 1.00 34.12 C ATOM 0 H TRP A 100 -1.448 2.355 -6.483 1.00 54.42 H new ATOM 0 HA TRP A 100 -2.669 -0.031 -7.721 1.00 62.33 H new ATOM 0 HB2 TRP A 100 -2.869 0.762 -4.789 1.00 21.40 H new ATOM 0 HB3 TRP A 100 -3.679 -0.593 -5.550 1.00 21.40 H new ATOM 0 HD1 TRP A 100 -2.003 -2.646 -6.445 1.00 41.51 H new ATOM 0 HE1 TRP A 100 0.237 -3.508 -5.479 1.00 13.14 H new ATOM 0 HE3 TRP A 100 -0.793 1.431 -3.610 1.00 4.21 H new ATOM 0 HZ2 TRP A 100 2.222 -2.540 -3.737 1.00 33.23 H new ATOM 0 HZ3 TRP A 100 1.300 1.386 -2.312 1.00 53.41 H new ATOM 0 HH2 TRP A 100 2.788 -0.573 -2.379 1.00 34.12 H new ATOM 222 N VAL A 101 -4.718 1.279 -8.120 1.00 43.11 N ATOM 223 CA VAL A 101 -5.915 2.055 -8.418 1.00 32.31 C ATOM 224 C VAL A 101 -7.165 1.365 -7.881 1.00 4.44 C ATOM 225 O VAL A 101 -7.528 0.278 -8.331 1.00 55.52 O ATOM 226 CB VAL A 101 -6.076 2.280 -9.933 1.00 14.04 C ATOM 227 CG1 VAL A 101 -7.200 3.268 -10.209 1.00 62.13 C ATOM 228 CG2 VAL A 101 -4.769 2.763 -10.542 1.00 74.32 C ATOM 0 H VAL A 101 -4.577 0.472 -8.728 1.00 43.11 H new ATOM 0 HA VAL A 101 -5.797 3.021 -7.926 1.00 32.31 H new ATOM 0 HB VAL A 101 -6.337 1.330 -10.398 1.00 14.04 H new ATOM 0 HG11 VAL A 101 -7.299 3.415 -11.284 1.00 62.13 H new ATOM 0 HG12 VAL A 101 -8.135 2.877 -9.808 1.00 62.13 H new ATOM 0 HG13 VAL A 101 -6.972 4.221 -9.732 1.00 62.13 H new ATOM 0 HG21 VAL A 101 -4.901 2.917 -11.613 1.00 74.32 H new ATOM 0 HG22 VAL A 101 -4.475 3.703 -10.074 1.00 74.32 H new ATOM 0 HG23 VAL A 101 -3.992 2.016 -10.376 1.00 74.32 H new ATOM 238 N LEU A 102 -7.818 2.004 -6.917 1.00 24.44 N ATOM 239 CA LEU A 102 -9.027 1.452 -6.318 1.00 15.04 C ATOM 240 C LEU A 102 -10.035 2.555 -6.010 1.00 42.55 C ATOM 241 O LEU A 102 -9.657 3.681 -5.686 1.00 35.34 O ATOM 242 CB LEU A 102 -8.685 0.688 -5.037 1.00 4.22 C ATOM 243 CG LEU A 102 -8.259 1.540 -3.841 1.00 11.44 C ATOM 244 CD1 LEU A 102 -8.947 1.061 -2.572 1.00 64.53 C ATOM 245 CD2 LEU A 102 -6.747 1.510 -3.675 1.00 75.21 C ATOM 0 H LEU A 102 -7.530 2.904 -6.534 1.00 24.44 H new ATOM 0 HA LEU A 102 -9.475 0.764 -7.035 1.00 15.04 H new ATOM 0 HB2 LEU A 102 -9.554 0.098 -4.746 1.00 4.22 H new ATOM 0 HB3 LEU A 102 -7.883 -0.016 -5.260 1.00 4.22 H new ATOM 0 HG LEU A 102 -8.563 2.570 -4.027 1.00 11.44 H new ATOM 0 HD11 LEU A 102 -8.632 1.679 -1.732 1.00 64.53 H new ATOM 0 HD12 LEU A 102 -10.028 1.137 -2.693 1.00 64.53 H new ATOM 0 HD13 LEU A 102 -8.676 0.023 -2.381 1.00 64.53 H new ATOM 0 HD21 LEU A 102 -6.463 2.122 -2.819 1.00 75.21 H new ATOM 0 HD22 LEU A 102 -6.419 0.483 -3.512 1.00 75.21 H new ATOM 0 HD23 LEU A 102 -6.274 1.903 -4.575 1.00 75.21 H new ATOM 257 N ARG A 103 -11.318 2.224 -6.114 1.00 14.11 N ATOM 258 CA ARG A 103 -12.379 3.186 -5.846 1.00 73.02 C ATOM 259 C ARG A 103 -12.522 3.437 -4.348 1.00 60.40 C ATOM 260 O ARG A 103 -13.250 2.726 -3.655 1.00 33.40 O ATOM 261 CB ARG A 103 -13.707 2.686 -6.418 1.00 60.44 C ATOM 262 CG ARG A 103 -13.764 2.709 -7.937 1.00 5.24 C ATOM 263 CD ARG A 103 -14.893 1.839 -8.466 1.00 41.43 C ATOM 264 NE ARG A 103 -14.862 1.729 -9.923 1.00 11.13 N ATOM 265 CZ ARG A 103 -15.862 1.233 -10.642 1.00 63.34 C ATOM 266 NH1 ARG A 103 -16.965 0.803 -10.045 1.00 20.44 N ATOM 267 NH2 ARG A 103 -15.760 1.165 -11.964 1.00 42.10 N ATOM 0 H ARG A 103 -11.647 1.297 -6.382 1.00 14.11 H new ATOM 0 HA ARG A 103 -12.112 4.125 -6.330 1.00 73.02 H new ATOM 0 HB2 ARG A 103 -13.881 1.667 -6.072 1.00 60.44 H new ATOM 0 HB3 ARG A 103 -14.517 3.300 -6.023 1.00 60.44 H new ATOM 0 HG2 ARG A 103 -13.901 3.734 -8.281 1.00 5.24 H new ATOM 0 HG3 ARG A 103 -12.814 2.361 -8.343 1.00 5.24 H new ATOM 0 HD2 ARG A 103 -14.821 0.844 -8.026 1.00 41.43 H new ATOM 0 HD3 ARG A 103 -15.850 2.257 -8.154 1.00 41.43 H new ATOM 0 HE ARG A 103 -14.028 2.050 -10.414 1.00 11.13 H new ATOM 0 HH11 ARG A 103 -17.048 0.853 -9.030 1.00 20.44 H new ATOM 0 HH12 ARG A 103 -17.731 0.423 -10.601 1.00 20.44 H new ATOM 0 HH21 ARG A 103 -14.913 1.494 -12.428 1.00 42.10 H new ATOM 0 HH22 ARG A 103 -16.528 0.784 -12.516 1.00 42.10 H new ATOM 281 N LEU A 104 -11.821 4.451 -3.854 1.00 20.21 N ATOM 282 CA LEU A 104 -11.868 4.796 -2.437 1.00 63.50 C ATOM 283 C LEU A 104 -12.342 6.232 -2.241 1.00 54.23 C ATOM 284 O LEU A 104 -12.172 7.077 -3.119 1.00 42.54 O ATOM 285 CB LEU A 104 -10.488 4.611 -1.801 1.00 34.30 C ATOM 286 CG LEU A 104 -10.478 4.121 -0.353 1.00 31.31 C ATOM 287 CD1 LEU A 104 -9.386 3.081 -0.148 1.00 52.43 C ATOM 288 CD2 LEU A 104 -10.290 5.289 0.604 1.00 31.12 C ATOM 0 H LEU A 104 -11.213 5.049 -4.413 1.00 20.21 H new ATOM 0 HA LEU A 104 -12.579 4.129 -1.950 1.00 63.50 H new ATOM 0 HB2 LEU A 104 -9.922 3.903 -2.407 1.00 34.30 H new ATOM 0 HB3 LEU A 104 -9.959 5.563 -1.845 1.00 34.30 H new ATOM 0 HG LEU A 104 -11.440 3.654 -0.141 1.00 31.31 H new ATOM 0 HD11 LEU A 104 -9.394 2.744 0.889 1.00 52.43 H new ATOM 0 HD12 LEU A 104 -9.564 2.231 -0.807 1.00 52.43 H new ATOM 0 HD13 LEU A 104 -8.416 3.522 -0.378 1.00 52.43 H new ATOM 0 HD21 LEU A 104 -10.285 4.921 1.630 1.00 31.12 H new ATOM 0 HD22 LEU A 104 -9.343 5.784 0.392 1.00 31.12 H new ATOM 0 HD23 LEU A 104 -11.107 5.999 0.477 1.00 31.12 H new ATOM 300 N ASP A 105 -12.936 6.500 -1.084 1.00 2.34 N ATOM 301 CA ASP A 105 -13.433 7.836 -0.771 1.00 25.11 C ATOM 302 C ASP A 105 -14.572 8.225 -1.707 1.00 54.23 C ATOM 303 O ASP A 105 -14.948 9.393 -1.793 1.00 5.21 O ATOM 304 CB ASP A 105 -12.302 8.861 -0.872 1.00 24.41 C ATOM 305 CG ASP A 105 -12.215 9.749 0.353 1.00 72.10 C ATOM 306 OD1 ASP A 105 -13.019 10.700 0.455 1.00 71.24 O ATOM 307 OD2 ASP A 105 -11.344 9.495 1.211 1.00 34.41 O ATOM 0 H ASP A 105 -13.086 5.811 -0.347 1.00 2.34 H new ATOM 0 HA ASP A 105 -13.813 7.825 0.250 1.00 25.11 H new ATOM 0 HB2 ASP A 105 -11.354 8.340 -1.007 1.00 24.41 H new ATOM 0 HB3 ASP A 105 -12.455 9.480 -1.756 1.00 24.41 H new ATOM 312 N GLY A 106 -15.118 7.236 -2.410 1.00 15.35 N ATOM 313 CA GLY A 106 -16.209 7.496 -3.331 1.00 13.04 C ATOM 314 C GLY A 106 -15.722 7.832 -4.727 1.00 63.51 C ATOM 315 O GLY A 106 -16.523 8.077 -5.628 1.00 44.04 O ATOM 0 H GLY A 106 -14.824 6.261 -2.358 1.00 15.35 H new ATOM 0 HA2 GLY A 106 -16.858 6.621 -3.377 1.00 13.04 H new ATOM 0 HA3 GLY A 106 -16.812 8.321 -2.952 1.00 13.04 H new ATOM 319 N GLU A 107 -14.404 7.842 -4.905 1.00 1.32 N ATOM 320 CA GLU A 107 -13.812 8.152 -6.200 1.00 63.12 C ATOM 321 C GLU A 107 -12.619 7.243 -6.485 1.00 33.21 C ATOM 322 O GLU A 107 -12.189 6.479 -5.623 1.00 23.52 O ATOM 323 CB GLU A 107 -13.373 9.617 -6.248 1.00 72.31 C ATOM 324 CG GLU A 107 -14.323 10.512 -7.027 1.00 3.11 C ATOM 325 CD GLU A 107 -13.808 11.932 -7.161 1.00 13.03 C ATOM 326 OE1 GLU A 107 -13.312 12.481 -6.155 1.00 23.21 O ATOM 327 OE2 GLU A 107 -13.903 12.494 -8.272 1.00 4.34 O ATOM 0 H GLU A 107 -13.727 7.639 -4.169 1.00 1.32 H new ATOM 0 HA GLU A 107 -14.568 7.981 -6.966 1.00 63.12 H new ATOM 0 HB2 GLU A 107 -13.285 9.995 -5.229 1.00 72.31 H new ATOM 0 HB3 GLU A 107 -12.381 9.676 -6.697 1.00 72.31 H new ATOM 0 HG2 GLU A 107 -14.480 10.091 -8.020 1.00 3.11 H new ATOM 0 HG3 GLU A 107 -15.293 10.527 -6.530 1.00 3.11 H new ATOM 334 N ASP A 108 -12.093 7.332 -7.701 1.00 4.22 N ATOM 335 CA ASP A 108 -10.950 6.519 -8.101 1.00 72.21 C ATOM 336 C ASP A 108 -9.692 6.941 -7.347 1.00 72.05 C ATOM 337 O ASP A 108 -8.934 7.793 -7.813 1.00 22.13 O ATOM 338 CB ASP A 108 -10.718 6.632 -9.608 1.00 41.44 C ATOM 339 CG ASP A 108 -11.292 5.454 -10.372 1.00 4.32 C ATOM 340 OD1 ASP A 108 -10.668 4.373 -10.350 1.00 22.20 O ATOM 341 OD2 ASP A 108 -12.364 5.614 -10.991 1.00 44.33 O ATOM 0 H ASP A 108 -12.439 7.959 -8.427 1.00 4.22 H new ATOM 0 HA ASP A 108 -11.170 5.481 -7.852 1.00 72.21 H new ATOM 0 HB2 ASP A 108 -11.170 7.554 -9.974 1.00 41.44 H new ATOM 0 HB3 ASP A 108 -9.648 6.702 -9.804 1.00 41.44 H new ATOM 346 N LEU A 109 -9.477 6.342 -6.182 1.00 60.34 N ATOM 347 CA LEU A 109 -8.312 6.656 -5.363 1.00 62.20 C ATOM 348 C LEU A 109 -7.052 6.022 -5.943 1.00 42.51 C ATOM 349 O LEU A 109 -7.003 4.814 -6.177 1.00 32.11 O ATOM 350 CB LEU A 109 -8.526 6.170 -3.928 1.00 62.11 C ATOM 351 CG LEU A 109 -7.657 6.831 -2.859 1.00 5.22 C ATOM 352 CD1 LEU A 109 -8.506 7.693 -1.937 1.00 23.42 C ATOM 353 CD2 LEU A 109 -6.900 5.779 -2.061 1.00 45.34 C ATOM 0 H LEU A 109 -10.095 5.635 -5.783 1.00 60.34 H new ATOM 0 HA LEU A 109 -8.184 7.738 -5.358 1.00 62.20 H new ATOM 0 HB2 LEU A 109 -9.572 6.326 -3.665 1.00 62.11 H new ATOM 0 HB3 LEU A 109 -8.347 5.095 -3.899 1.00 62.11 H new ATOM 0 HG LEU A 109 -6.931 7.474 -3.356 1.00 5.22 H new ATOM 0 HD11 LEU A 109 -7.869 8.155 -1.183 1.00 23.42 H new ATOM 0 HD12 LEU A 109 -9.001 8.470 -2.519 1.00 23.42 H new ATOM 0 HD13 LEU A 109 -9.257 7.072 -1.448 1.00 23.42 H new ATOM 0 HD21 LEU A 109 -6.286 6.268 -1.304 1.00 45.34 H new ATOM 0 HD22 LEU A 109 -7.610 5.110 -1.575 1.00 45.34 H new ATOM 0 HD23 LEU A 109 -6.260 5.205 -2.731 1.00 45.34 H new ATOM 365 N ARG A 110 -6.034 6.845 -6.173 1.00 22.22 N ATOM 366 CA ARG A 110 -4.773 6.365 -6.725 1.00 23.21 C ATOM 367 C ARG A 110 -3.713 6.241 -5.633 1.00 61.22 C ATOM 368 O ARG A 110 -3.246 7.241 -5.090 1.00 64.02 O ATOM 369 CB ARG A 110 -4.279 7.309 -7.823 1.00 11.31 C ATOM 370 CG ARG A 110 -3.543 6.602 -8.948 1.00 64.15 C ATOM 371 CD ARG A 110 -3.742 7.313 -10.278 1.00 74.23 C ATOM 372 NE ARG A 110 -2.834 6.813 -11.307 1.00 35.22 N ATOM 373 CZ ARG A 110 -2.760 7.323 -12.531 1.00 42.24 C ATOM 374 NH1 ARG A 110 -3.535 8.341 -12.877 1.00 44.35 N ATOM 375 NH2 ARG A 110 -1.909 6.814 -13.413 1.00 41.13 N ATOM 0 H ARG A 110 -6.058 7.847 -5.986 1.00 22.22 H new ATOM 0 HA ARG A 110 -4.947 5.378 -7.154 1.00 23.21 H new ATOM 0 HB2 ARG A 110 -5.131 7.846 -8.239 1.00 11.31 H new ATOM 0 HB3 ARG A 110 -3.618 8.054 -7.380 1.00 11.31 H new ATOM 0 HG2 ARG A 110 -2.479 6.555 -8.715 1.00 64.15 H new ATOM 0 HG3 ARG A 110 -3.898 5.574 -9.027 1.00 64.15 H new ATOM 0 HD2 ARG A 110 -4.772 7.182 -10.609 1.00 74.23 H new ATOM 0 HD3 ARG A 110 -3.584 8.383 -10.144 1.00 74.23 H new ATOM 0 HE ARG A 110 -2.224 6.030 -11.073 1.00 35.22 H new ATOM 0 HH11 ARG A 110 -4.191 8.735 -12.202 1.00 44.35 H new ATOM 0 HH12 ARG A 110 -3.476 8.730 -13.818 1.00 44.35 H new ATOM 0 HH21 ARG A 110 -1.311 6.030 -13.151 1.00 41.13 H new ATOM 0 HH22 ARG A 110 -1.853 7.206 -14.353 1.00 41.13 H new ATOM 389 N VAL A 111 -3.340 5.004 -5.316 1.00 11.11 N ATOM 390 CA VAL A 111 -2.336 4.749 -4.290 1.00 72.31 C ATOM 391 C VAL A 111 -0.950 4.591 -4.904 1.00 13.51 C ATOM 392 O VAL A 111 -0.782 3.916 -5.920 1.00 30.32 O ATOM 393 CB VAL A 111 -2.673 3.483 -3.479 1.00 22.11 C ATOM 394 CG1 VAL A 111 -1.963 3.507 -2.134 1.00 73.12 C ATOM 395 CG2 VAL A 111 -4.178 3.353 -3.295 1.00 23.30 C ATOM 0 H VAL A 111 -3.718 4.164 -5.755 1.00 11.11 H new ATOM 0 HA VAL A 111 -2.338 5.611 -3.623 1.00 72.31 H new ATOM 0 HB VAL A 111 -2.322 2.613 -4.033 1.00 22.11 H new ATOM 0 HG11 VAL A 111 -2.213 2.605 -1.575 1.00 73.12 H new ATOM 0 HG12 VAL A 111 -0.885 3.549 -2.292 1.00 73.12 H new ATOM 0 HG13 VAL A 111 -2.282 4.384 -1.570 1.00 73.12 H new ATOM 0 HG21 VAL A 111 -4.398 2.453 -2.720 1.00 23.30 H new ATOM 0 HG22 VAL A 111 -4.556 4.226 -2.762 1.00 23.30 H new ATOM 0 HG23 VAL A 111 -4.659 3.287 -4.271 1.00 23.30 H new ATOM 405 N VAL A 112 0.042 5.221 -4.282 1.00 31.42 N ATOM 406 CA VAL A 112 1.415 5.150 -4.766 1.00 23.42 C ATOM 407 C VAL A 112 2.393 4.938 -3.616 1.00 24.01 C ATOM 408 O VAL A 112 2.396 5.691 -2.641 1.00 52.25 O ATOM 409 CB VAL A 112 1.808 6.429 -5.530 1.00 31.23 C ATOM 410 CG1 VAL A 112 3.268 6.372 -5.952 1.00 1.21 C ATOM 411 CG2 VAL A 112 0.902 6.627 -6.736 1.00 44.32 C ATOM 0 H VAL A 112 -0.080 5.786 -3.442 1.00 31.42 H new ATOM 0 HA VAL A 112 1.467 4.299 -5.445 1.00 23.42 H new ATOM 0 HB VAL A 112 1.681 7.283 -4.865 1.00 31.23 H new ATOM 0 HG11 VAL A 112 3.527 7.284 -6.490 1.00 1.21 H new ATOM 0 HG12 VAL A 112 3.899 6.281 -5.068 1.00 1.21 H new ATOM 0 HG13 VAL A 112 3.426 5.510 -6.601 1.00 1.21 H new ATOM 0 HG21 VAL A 112 1.193 7.535 -7.265 1.00 44.32 H new ATOM 0 HG22 VAL A 112 0.995 5.772 -7.405 1.00 44.32 H new ATOM 0 HG23 VAL A 112 -0.132 6.717 -6.403 1.00 44.32 H new ATOM 421 N LEU A 113 3.223 3.907 -3.736 1.00 0.13 N ATOM 422 CA LEU A 113 4.208 3.595 -2.705 1.00 51.24 C ATOM 423 C LEU A 113 5.624 3.851 -3.211 1.00 44.30 C ATOM 424 O LEU A 113 6.169 3.065 -3.984 1.00 32.34 O ATOM 425 CB LEU A 113 4.068 2.138 -2.263 1.00 62.32 C ATOM 426 CG LEU A 113 5.165 1.608 -1.340 1.00 3.44 C ATOM 427 CD1 LEU A 113 5.589 2.679 -0.346 1.00 3.11 C ATOM 428 CD2 LEU A 113 4.692 0.359 -0.611 1.00 21.44 C ATOM 0 H LEU A 113 3.234 3.274 -4.536 1.00 0.13 H new ATOM 0 HA LEU A 113 4.023 4.247 -1.851 1.00 51.24 H new ATOM 0 HB2 LEU A 113 3.109 2.023 -1.758 1.00 62.32 H new ATOM 0 HB3 LEU A 113 4.036 1.511 -3.154 1.00 62.32 H new ATOM 0 HG LEU A 113 6.029 1.343 -1.949 1.00 3.44 H new ATOM 0 HD11 LEU A 113 6.371 2.284 0.303 1.00 3.11 H new ATOM 0 HD12 LEU A 113 5.969 3.546 -0.886 1.00 3.11 H new ATOM 0 HD13 LEU A 113 4.731 2.975 0.258 1.00 3.11 H new ATOM 0 HD21 LEU A 113 5.486 -0.004 0.041 1.00 21.44 H new ATOM 0 HD22 LEU A 113 3.812 0.598 -0.014 1.00 21.44 H new ATOM 0 HD23 LEU A 113 4.438 -0.413 -1.338 1.00 21.44 H new ATOM 440 N GLU A 114 6.215 4.957 -2.767 1.00 34.24 N ATOM 441 CA GLU A 114 7.568 5.316 -3.174 1.00 62.42 C ATOM 442 C GLU A 114 8.604 4.535 -2.369 1.00 75.51 C ATOM 443 O GLU A 114 8.546 4.491 -1.140 1.00 4.35 O ATOM 444 CB GLU A 114 7.796 6.818 -2.997 1.00 64.14 C ATOM 445 CG GLU A 114 8.145 7.536 -4.290 1.00 43.02 C ATOM 446 CD GLU A 114 7.165 8.644 -4.625 1.00 31.50 C ATOM 447 OE1 GLU A 114 6.165 8.361 -5.319 1.00 44.53 O ATOM 448 OE2 GLU A 114 7.396 9.792 -4.193 1.00 10.15 O ATOM 0 H GLU A 114 5.778 5.619 -2.126 1.00 34.24 H new ATOM 0 HA GLU A 114 7.683 5.060 -4.227 1.00 62.42 H new ATOM 0 HB2 GLU A 114 6.897 7.266 -2.573 1.00 64.14 H new ATOM 0 HB3 GLU A 114 8.599 6.973 -2.277 1.00 64.14 H new ATOM 0 HG2 GLU A 114 9.148 7.955 -4.209 1.00 43.02 H new ATOM 0 HG3 GLU A 114 8.166 6.815 -5.107 1.00 43.02 H new ATOM 455 N LYS A 115 9.548 3.918 -3.071 1.00 21.42 N ATOM 456 CA LYS A 115 10.597 3.139 -2.423 1.00 51.31 C ATOM 457 C LYS A 115 11.547 4.045 -1.648 1.00 2.03 C ATOM 458 O LYS A 115 12.320 3.578 -0.811 1.00 24.43 O ATOM 459 CB LYS A 115 11.379 2.334 -3.464 1.00 53.22 C ATOM 460 CG LYS A 115 10.702 1.033 -3.860 1.00 73.34 C ATOM 461 CD LYS A 115 11.704 0.023 -4.394 1.00 72.11 C ATOM 462 CE LYS A 115 11.008 -1.187 -4.997 1.00 64.11 C ATOM 463 NZ LYS A 115 11.983 -2.213 -5.463 1.00 20.23 N ATOM 0 H LYS A 115 9.608 3.942 -4.089 1.00 21.42 H new ATOM 0 HA LYS A 115 10.124 2.452 -1.721 1.00 51.31 H new ATOM 0 HB2 LYS A 115 11.519 2.947 -4.355 1.00 53.22 H new ATOM 0 HB3 LYS A 115 12.371 2.113 -3.070 1.00 53.22 H new ATOM 0 HG2 LYS A 115 10.186 0.613 -2.997 1.00 73.34 H new ATOM 0 HG3 LYS A 115 9.945 1.232 -4.619 1.00 73.34 H new ATOM 0 HD2 LYS A 115 12.332 0.496 -5.149 1.00 72.11 H new ATOM 0 HD3 LYS A 115 12.363 -0.299 -3.587 1.00 72.11 H new ATOM 0 HE2 LYS A 115 10.342 -1.629 -4.256 1.00 64.11 H new ATOM 0 HE3 LYS A 115 10.387 -0.869 -5.835 1.00 64.11 H new ATOM 0 HZ1 LYS A 115 11.596 -3.163 -5.292 1.00 20.23 H new ATOM 0 HZ2 LYS A 115 12.158 -2.089 -6.481 1.00 20.23 H new ATOM 0 HZ3 LYS A 115 12.877 -2.105 -4.942 1.00 20.23 H new ATOM 477 N ASP A 116 11.484 5.342 -1.930 1.00 61.54 N ATOM 478 CA ASP A 116 12.338 6.314 -1.257 1.00 20.41 C ATOM 479 C ASP A 116 12.254 6.153 0.258 1.00 51.22 C ATOM 480 O ASP A 116 13.273 6.023 0.938 1.00 10.41 O ATOM 481 CB ASP A 116 11.940 7.735 -1.654 1.00 12.34 C ATOM 482 CG ASP A 116 11.941 7.938 -3.156 1.00 11.11 C ATOM 483 OD1 ASP A 116 12.492 7.075 -3.871 1.00 40.50 O ATOM 484 OD2 ASP A 116 11.393 8.961 -3.618 1.00 13.41 O ATOM 0 H ASP A 116 10.850 5.745 -2.620 1.00 61.54 H new ATOM 0 HA ASP A 116 13.367 6.134 -1.567 1.00 20.41 H new ATOM 0 HB2 ASP A 116 10.947 7.954 -1.261 1.00 12.34 H new ATOM 0 HB3 ASP A 116 12.628 8.444 -1.194 1.00 12.34 H new ATOM 489 N THR A 117 11.032 6.163 0.783 1.00 71.22 N ATOM 490 CA THR A 117 10.815 6.021 2.217 1.00 53.04 C ATOM 491 C THR A 117 9.635 5.099 2.506 1.00 41.35 C ATOM 492 O THR A 117 9.098 5.091 3.613 1.00 42.32 O ATOM 493 CB THR A 117 10.561 7.386 2.884 1.00 24.22 C ATOM 494 OG1 THR A 117 10.766 8.440 1.937 1.00 34.31 O ATOM 495 CG2 THR A 117 11.483 7.584 4.078 1.00 63.11 C ATOM 0 H THR A 117 10.178 6.268 0.236 1.00 71.22 H new ATOM 0 HA THR A 117 11.723 5.585 2.633 1.00 53.04 H new ATOM 0 HB THR A 117 9.529 7.408 3.234 1.00 24.22 H new ATOM 0 HG1 THR A 117 10.601 9.304 2.369 1.00 34.31 H new ATOM 0 HG21 THR A 117 11.286 8.555 4.533 1.00 63.11 H new ATOM 0 HG22 THR A 117 11.304 6.797 4.810 1.00 63.11 H new ATOM 0 HG23 THR A 117 12.521 7.543 3.747 1.00 63.11 H new ATOM 503 N MET A 118 9.237 4.324 1.502 1.00 72.43 N ATOM 504 CA MET A 118 8.120 3.397 1.651 1.00 43.11 C ATOM 505 C MET A 118 6.854 4.135 2.072 1.00 74.14 C ATOM 506 O MET A 118 5.970 3.557 2.704 1.00 72.11 O ATOM 507 CB MET A 118 8.461 2.315 2.678 1.00 40.42 C ATOM 508 CG MET A 118 8.353 0.902 2.130 1.00 72.42 C ATOM 509 SD MET A 118 8.567 -0.355 3.405 1.00 65.13 S ATOM 510 CE MET A 118 6.881 -0.546 3.979 1.00 60.12 C ATOM 0 H MET A 118 9.670 4.319 0.578 1.00 72.43 H new ATOM 0 HA MET A 118 7.939 2.926 0.685 1.00 43.11 H new ATOM 0 HB2 MET A 118 9.475 2.478 3.042 1.00 40.42 H new ATOM 0 HB3 MET A 118 7.795 2.416 3.535 1.00 40.42 H new ATOM 0 HG2 MET A 118 7.379 0.773 1.658 1.00 72.42 H new ATOM 0 HG3 MET A 118 9.105 0.759 1.354 1.00 72.42 H new ATOM 0 HE1 MET A 118 6.871 -0.601 5.068 1.00 60.12 H new ATOM 0 HE2 MET A 118 6.287 0.308 3.653 1.00 60.12 H new ATOM 0 HE3 MET A 118 6.458 -1.462 3.566 1.00 60.12 H new ATOM 520 N ASP A 119 6.773 5.412 1.719 1.00 52.44 N ATOM 521 CA ASP A 119 5.614 6.228 2.060 1.00 70.13 C ATOM 522 C ASP A 119 4.465 5.972 1.089 1.00 12.41 C ATOM 523 O ASP A 119 4.684 5.632 -0.073 1.00 41.33 O ATOM 524 CB ASP A 119 5.986 7.711 2.048 1.00 52.20 C ATOM 525 CG ASP A 119 5.946 8.330 3.433 1.00 71.44 C ATOM 526 OD1 ASP A 119 6.581 7.770 4.350 1.00 63.50 O ATOM 527 OD2 ASP A 119 5.278 9.372 3.598 1.00 33.52 O ATOM 0 H ASP A 119 7.497 5.905 1.196 1.00 52.44 H new ATOM 0 HA ASP A 119 5.288 5.951 3.063 1.00 70.13 H new ATOM 0 HB2 ASP A 119 6.986 7.828 1.630 1.00 52.20 H new ATOM 0 HB3 ASP A 119 5.301 8.249 1.393 1.00 52.20 H new ATOM 532 N VAL A 120 3.238 6.137 1.576 1.00 40.20 N ATOM 533 CA VAL A 120 2.054 5.924 0.752 1.00 64.21 C ATOM 534 C VAL A 120 1.422 7.250 0.345 1.00 11.34 C ATOM 535 O VAL A 120 1.255 8.149 1.170 1.00 33.12 O ATOM 536 CB VAL A 120 1.004 5.071 1.489 1.00 0.51 C ATOM 537 CG1 VAL A 120 -0.207 4.830 0.600 1.00 11.14 C ATOM 538 CG2 VAL A 120 1.612 3.754 1.945 1.00 71.04 C ATOM 0 H VAL A 120 3.039 6.417 2.536 1.00 40.20 H new ATOM 0 HA VAL A 120 2.381 5.392 -0.141 1.00 64.21 H new ATOM 0 HB VAL A 120 0.673 5.617 2.373 1.00 0.51 H new ATOM 0 HG11 VAL A 120 -0.938 4.226 1.137 1.00 11.14 H new ATOM 0 HG12 VAL A 120 -0.655 5.786 0.329 1.00 11.14 H new ATOM 0 HG13 VAL A 120 0.104 4.305 -0.304 1.00 11.14 H new ATOM 0 HG21 VAL A 120 0.856 3.164 2.464 1.00 71.04 H new ATOM 0 HG22 VAL A 120 1.972 3.200 1.078 1.00 71.04 H new ATOM 0 HG23 VAL A 120 2.444 3.952 2.621 1.00 71.04 H new ATOM 548 N TRP A 121 1.072 7.365 -0.930 1.00 44.24 N ATOM 549 CA TRP A 121 0.457 8.583 -1.448 1.00 2.21 C ATOM 550 C TRP A 121 -0.887 8.279 -2.100 1.00 62.13 C ATOM 551 O TRP A 121 -0.952 7.566 -3.103 1.00 54.41 O ATOM 552 CB TRP A 121 1.386 9.260 -2.457 1.00 22.45 C ATOM 553 CG TRP A 121 1.211 10.747 -2.521 1.00 51.10 C ATOM 554 CD1 TRP A 121 0.798 11.568 -1.511 1.00 73.12 C ATOM 555 CD2 TRP A 121 1.440 11.588 -3.657 1.00 0.14 C ATOM 556 NE1 TRP A 121 0.756 12.870 -1.950 1.00 41.13 N ATOM 557 CE2 TRP A 121 1.147 12.909 -3.263 1.00 34.04 C ATOM 558 CE3 TRP A 121 1.867 11.355 -4.967 1.00 10.45 C ATOM 559 CZ2 TRP A 121 1.266 13.989 -4.133 1.00 61.35 C ATOM 560 CZ3 TRP A 121 1.984 12.428 -5.829 1.00 42.21 C ATOM 561 CH2 TRP A 121 1.686 13.732 -5.410 1.00 22.22 C ATOM 0 H TRP A 121 1.203 6.630 -1.625 1.00 44.24 H new ATOM 0 HA TRP A 121 0.289 9.259 -0.610 1.00 2.21 H new ATOM 0 HB2 TRP A 121 2.420 9.034 -2.197 1.00 22.45 H new ATOM 0 HB3 TRP A 121 1.207 8.837 -3.446 1.00 22.45 H new ATOM 0 HD1 TRP A 121 0.542 11.242 -0.514 1.00 73.12 H new ATOM 0 HE1 TRP A 121 0.479 13.676 -1.390 1.00 41.13 H new ATOM 0 HE3 TRP A 121 2.101 10.354 -5.299 1.00 10.45 H new ATOM 0 HZ2 TRP A 121 1.035 14.994 -3.812 1.00 61.35 H new ATOM 0 HZ3 TRP A 121 2.311 12.259 -6.844 1.00 42.21 H new ATOM 0 HH2 TRP A 121 1.790 14.549 -6.108 1.00 22.22 H new ATOM 572 N CYS A 122 -1.955 8.823 -1.528 1.00 25.24 N ATOM 573 CA CYS A 122 -3.297 8.608 -2.055 1.00 11.43 C ATOM 574 C CYS A 122 -3.952 9.935 -2.429 1.00 72.43 C ATOM 575 O CYS A 122 -3.921 10.893 -1.660 1.00 13.13 O ATOM 576 CB CYS A 122 -4.160 7.873 -1.028 1.00 61.32 C ATOM 577 SG CYS A 122 -4.627 8.878 0.400 1.00 11.44 S ATOM 0 H CYS A 122 -1.917 9.416 -0.699 1.00 25.24 H new ATOM 0 HA CYS A 122 -3.214 7.996 -2.953 1.00 11.43 H new ATOM 0 HB2 CYS A 122 -5.065 7.516 -1.519 1.00 61.32 H new ATOM 0 HB3 CYS A 122 -3.619 6.993 -0.678 1.00 61.32 H new ATOM 0 HG CYS A 122 -4.365 8.226 1.494 1.00 11.44 H new ATOM 583 N ASN A 123 -4.544 9.981 -3.619 1.00 2.03 N ATOM 584 CA ASN A 123 -5.204 11.190 -4.098 1.00 61.40 C ATOM 585 C ASN A 123 -4.344 12.421 -3.830 1.00 1.50 C ATOM 586 O ASN A 123 -4.811 13.406 -3.259 1.00 22.22 O ATOM 587 CB ASN A 123 -6.569 11.351 -3.425 1.00 2.54 C ATOM 588 CG ASN A 123 -7.657 10.564 -4.129 1.00 20.02 C ATOM 589 OD1 ASN A 123 -7.503 10.168 -5.284 1.00 21.32 O ATOM 590 ND2 ASN A 123 -8.764 10.333 -3.433 1.00 42.40 N ATOM 0 H ASN A 123 -4.580 9.195 -4.268 1.00 2.03 H new ATOM 0 HA ASN A 123 -5.346 11.095 -5.175 1.00 61.40 H new ATOM 0 HB2 ASN A 123 -6.501 11.023 -2.388 1.00 2.54 H new ATOM 0 HB3 ASN A 123 -6.841 12.406 -3.408 1.00 2.54 H new ATOM 0 HD21 ASN A 123 -9.531 9.808 -3.854 1.00 42.40 H new ATOM 0 HD22 ASN A 123 -8.848 10.681 -2.478 1.00 42.40 H new ATOM 597 N GLY A 124 -3.083 12.359 -4.249 1.00 53.54 N ATOM 598 CA GLY A 124 -2.178 13.476 -4.047 1.00 20.54 C ATOM 599 C GLY A 124 -2.167 13.960 -2.610 1.00 63.52 C ATOM 600 O GLY A 124 -2.137 15.162 -2.355 1.00 54.41 O ATOM 0 H GLY A 124 -2.672 11.555 -4.724 1.00 53.54 H new ATOM 0 HA2 GLY A 124 -1.169 13.179 -4.335 1.00 20.54 H new ATOM 0 HA3 GLY A 124 -2.468 14.298 -4.702 1.00 20.54 H new ATOM 604 N GLN A 125 -2.191 13.020 -1.671 1.00 41.02 N ATOM 605 CA GLN A 125 -2.186 13.357 -0.252 1.00 44.54 C ATOM 606 C GLN A 125 -1.384 12.337 0.548 1.00 13.02 C ATOM 607 O GLN A 125 -1.675 11.141 0.518 1.00 14.05 O ATOM 608 CB GLN A 125 -3.617 13.431 0.282 1.00 54.32 C ATOM 609 CG GLN A 125 -3.938 14.739 0.986 1.00 51.50 C ATOM 610 CD GLN A 125 -3.142 14.925 2.262 1.00 65.10 C ATOM 611 OE1 GLN A 125 -2.368 15.874 2.392 1.00 15.21 O ATOM 612 NE2 GLN A 125 -3.326 14.017 3.214 1.00 60.15 N ATOM 0 H GLN A 125 -2.214 12.019 -1.867 1.00 41.02 H new ATOM 0 HA GLN A 125 -1.713 14.332 -0.139 1.00 44.54 H new ATOM 0 HB2 GLN A 125 -4.312 13.294 -0.546 1.00 54.32 H new ATOM 0 HB3 GLN A 125 -3.780 12.606 0.975 1.00 54.32 H new ATOM 0 HG2 GLN A 125 -3.734 15.570 0.311 1.00 51.50 H new ATOM 0 HG3 GLN A 125 -5.002 14.770 1.218 1.00 51.50 H new ATOM 0 HE21 GLN A 125 -3.977 13.246 3.065 1.00 60.15 H new ATOM 0 HE22 GLN A 125 -2.816 14.091 4.094 1.00 60.15 H new ATOM 621 N LYS A 126 -0.372 12.816 1.263 1.00 44.15 N ATOM 622 CA LYS A 126 0.473 11.946 2.072 1.00 33.02 C ATOM 623 C LYS A 126 -0.369 11.099 3.021 1.00 43.23 C ATOM 624 O LYS A 126 -1.423 11.533 3.484 1.00 71.21 O ATOM 625 CB LYS A 126 1.479 12.777 2.871 1.00 1.24 C ATOM 626 CG LYS A 126 2.848 12.129 2.987 1.00 14.04 C ATOM 627 CD LYS A 126 3.951 13.069 2.533 1.00 42.31 C ATOM 628 CE LYS A 126 3.936 13.257 1.023 1.00 54.30 C ATOM 629 NZ LYS A 126 4.522 12.088 0.313 1.00 63.34 N ATOM 0 H LYS A 126 -0.117 13.803 1.299 1.00 44.15 H new ATOM 0 HA LYS A 126 1.014 11.279 1.400 1.00 33.02 H new ATOM 0 HB2 LYS A 126 1.587 13.753 2.399 1.00 1.24 H new ATOM 0 HB3 LYS A 126 1.082 12.949 3.871 1.00 1.24 H new ATOM 0 HG2 LYS A 126 3.024 11.832 4.021 1.00 14.04 H new ATOM 0 HG3 LYS A 126 2.873 11.220 2.386 1.00 14.04 H new ATOM 0 HD2 LYS A 126 3.831 14.036 3.022 1.00 42.31 H new ATOM 0 HD3 LYS A 126 4.918 12.673 2.842 1.00 42.31 H new ATOM 0 HE2 LYS A 126 2.911 13.410 0.686 1.00 54.30 H new ATOM 0 HE3 LYS A 126 4.494 14.157 0.763 1.00 54.30 H new ATOM 0 HZ1 LYS A 126 4.540 12.276 -0.710 1.00 63.34 H new ATOM 0 HZ2 LYS A 126 5.492 11.926 0.652 1.00 63.34 H new ATOM 0 HZ3 LYS A 126 3.944 11.243 0.499 1.00 63.34 H new ATOM 643 N MET A 127 0.104 9.891 3.306 1.00 22.33 N ATOM 644 CA MET A 127 -0.605 8.984 4.201 1.00 31.34 C ATOM 645 C MET A 127 0.199 8.740 5.476 1.00 51.15 C ATOM 646 O MET A 127 1.369 9.109 5.562 1.00 44.55 O ATOM 647 CB MET A 127 -0.887 7.655 3.499 1.00 24.52 C ATOM 648 CG MET A 127 -2.095 7.698 2.577 1.00 5.25 C ATOM 649 SD MET A 127 -3.638 7.345 3.440 1.00 40.12 S ATOM 650 CE MET A 127 -3.433 5.603 3.802 1.00 63.42 C ATOM 0 H MET A 127 0.975 9.517 2.930 1.00 22.33 H new ATOM 0 HA MET A 127 -1.552 9.449 4.473 1.00 31.34 H new ATOM 0 HB2 MET A 127 -0.009 7.366 2.921 1.00 24.52 H new ATOM 0 HB3 MET A 127 -1.042 6.882 4.252 1.00 24.52 H new ATOM 0 HG2 MET A 127 -2.159 8.683 2.114 1.00 5.25 H new ATOM 0 HG3 MET A 127 -1.959 6.975 1.772 1.00 5.25 H new ATOM 0 HE1 MET A 127 -3.840 5.386 4.789 1.00 63.42 H new ATOM 0 HE2 MET A 127 -3.961 5.011 3.054 1.00 63.42 H new ATOM 0 HE3 MET A 127 -2.373 5.350 3.783 1.00 63.42 H new ATOM 660 N GLU A 128 -0.439 8.115 6.460 1.00 22.24 N ATOM 661 CA GLU A 128 0.219 7.823 7.729 1.00 11.04 C ATOM 662 C GLU A 128 0.254 6.320 7.991 1.00 74.00 C ATOM 663 O GLU A 128 -0.766 5.710 8.318 1.00 42.24 O ATOM 664 CB GLU A 128 -0.501 8.535 8.877 1.00 21.13 C ATOM 665 CG GLU A 128 0.283 9.700 9.457 1.00 12.42 C ATOM 666 CD GLU A 128 0.169 9.785 10.967 1.00 45.32 C ATOM 667 OE1 GLU A 128 0.217 8.726 11.626 1.00 51.23 O ATOM 668 OE2 GLU A 128 0.033 10.911 11.490 1.00 42.22 O ATOM 0 H GLU A 128 -1.408 7.802 6.404 1.00 22.24 H new ATOM 0 HA GLU A 128 1.244 8.188 7.670 1.00 11.04 H new ATOM 0 HB2 GLU A 128 -1.465 8.898 8.521 1.00 21.13 H new ATOM 0 HB3 GLU A 128 -0.705 7.815 9.669 1.00 21.13 H new ATOM 0 HG2 GLU A 128 1.333 9.600 9.181 1.00 12.42 H new ATOM 0 HG3 GLU A 128 -0.076 10.630 9.016 1.00 12.42 H new ATOM 675 N THR A 129 1.434 5.727 7.844 1.00 30.41 N ATOM 676 CA THR A 129 1.603 4.296 8.062 1.00 40.22 C ATOM 677 C THR A 129 2.180 4.014 9.444 1.00 23.23 C ATOM 678 O THR A 129 2.359 4.927 10.250 1.00 55.30 O ATOM 679 CB THR A 129 2.523 3.670 6.996 1.00 2.24 C ATOM 680 OG1 THR A 129 3.885 4.028 7.256 1.00 63.22 O ATOM 681 CG2 THR A 129 2.129 4.131 5.602 1.00 13.11 C ATOM 0 H THR A 129 2.288 6.216 7.575 1.00 30.41 H new ATOM 0 HA THR A 129 0.613 3.846 7.987 1.00 40.22 H new ATOM 0 HB THR A 129 2.416 2.586 7.045 1.00 2.24 H new ATOM 0 HG1 THR A 129 4.415 3.912 6.440 1.00 63.22 H new ATOM 0 HG21 THR A 129 2.793 3.676 4.867 1.00 13.11 H new ATOM 0 HG22 THR A 129 1.101 3.832 5.397 1.00 13.11 H new ATOM 0 HG23 THR A 129 2.210 5.216 5.541 1.00 13.11 H new ATOM 689 N ALA A 130 2.470 2.745 9.712 1.00 22.21 N ATOM 690 CA ALA A 130 3.029 2.344 10.997 1.00 5.43 C ATOM 691 C ALA A 130 4.552 2.272 10.934 1.00 75.11 C ATOM 692 O ALA A 130 5.243 2.749 11.833 1.00 21.43 O ATOM 693 CB ALA A 130 2.453 1.005 11.429 1.00 32.20 C ATOM 0 H ALA A 130 2.327 1.977 9.056 1.00 22.21 H new ATOM 0 HA ALA A 130 2.757 3.098 11.735 1.00 5.43 H new ATOM 0 HB1 ALA A 130 2.880 0.718 12.390 1.00 32.20 H new ATOM 0 HB2 ALA A 130 1.370 1.088 11.523 1.00 32.20 H new ATOM 0 HB3 ALA A 130 2.696 0.247 10.684 1.00 32.20 H new ATOM 699 N GLY A 131 5.067 1.672 9.866 1.00 64.04 N ATOM 700 CA GLY A 131 6.505 1.547 9.707 1.00 32.31 C ATOM 701 C GLY A 131 7.131 0.663 10.768 1.00 53.41 C ATOM 702 O GLY A 131 8.078 1.069 11.441 1.00 61.42 O ATOM 0 H GLY A 131 4.515 1.270 9.108 1.00 64.04 H new ATOM 0 HA2 GLY A 131 6.724 1.137 8.721 1.00 32.31 H new ATOM 0 HA3 GLY A 131 6.959 2.537 9.749 1.00 32.31 H new ATOM 706 N GLU A 132 6.600 -0.546 10.918 1.00 51.22 N ATOM 707 CA GLU A 132 7.112 -1.487 11.906 1.00 32.22 C ATOM 708 C GLU A 132 7.952 -2.572 11.240 1.00 62.41 C ATOM 709 O GLU A 132 7.418 -3.511 10.648 1.00 62.40 O ATOM 710 CB GLU A 132 5.958 -2.125 12.683 1.00 40.42 C ATOM 711 CG GLU A 132 6.367 -2.679 14.037 1.00 24.13 C ATOM 712 CD GLU A 132 5.353 -3.655 14.598 1.00 23.44 C ATOM 713 OE1 GLU A 132 4.854 -4.501 13.827 1.00 65.43 O ATOM 714 OE2 GLU A 132 5.057 -3.574 15.809 1.00 21.31 O ATOM 0 H GLU A 132 5.816 -0.897 10.368 1.00 51.22 H new ATOM 0 HA GLU A 132 7.746 -0.935 12.600 1.00 32.22 H new ATOM 0 HB2 GLU A 132 5.173 -1.382 12.826 1.00 40.42 H new ATOM 0 HB3 GLU A 132 5.530 -2.930 12.085 1.00 40.42 H new ATOM 0 HG2 GLU A 132 7.332 -3.177 13.945 1.00 24.13 H new ATOM 0 HG3 GLU A 132 6.499 -1.855 14.738 1.00 24.13 H new ATOM 721 N PHE A 133 9.270 -2.438 11.340 1.00 24.02 N ATOM 722 CA PHE A 133 10.185 -3.405 10.745 1.00 20.44 C ATOM 723 C PHE A 133 10.187 -4.710 11.538 1.00 11.41 C ATOM 724 O PHE A 133 10.610 -4.746 12.693 1.00 21.51 O ATOM 725 CB PHE A 133 11.602 -2.829 10.686 1.00 73.53 C ATOM 726 CG PHE A 133 12.632 -3.818 10.218 1.00 32.54 C ATOM 727 CD1 PHE A 133 12.613 -4.296 8.918 1.00 51.22 C ATOM 728 CD2 PHE A 133 13.619 -4.269 11.080 1.00 74.33 C ATOM 729 CE1 PHE A 133 13.558 -5.206 8.486 1.00 61.20 C ATOM 730 CE2 PHE A 133 14.567 -5.180 10.654 1.00 41.15 C ATOM 731 CZ PHE A 133 14.538 -5.647 9.355 1.00 70.53 C ATOM 0 H PHE A 133 9.729 -1.669 11.828 1.00 24.02 H new ATOM 0 HA PHE A 133 9.843 -3.616 9.732 1.00 20.44 H new ATOM 0 HB2 PHE A 133 11.608 -1.967 10.019 1.00 73.53 H new ATOM 0 HB3 PHE A 133 11.880 -2.468 11.676 1.00 73.53 H new ATOM 0 HD1 PHE A 133 11.850 -3.953 8.234 1.00 51.22 H new ATOM 0 HD2 PHE A 133 13.648 -3.904 12.096 1.00 74.33 H new ATOM 0 HE1 PHE A 133 13.531 -5.572 7.470 1.00 61.20 H new ATOM 0 HE2 PHE A 133 15.329 -5.526 11.336 1.00 41.15 H new ATOM 0 HZ PHE A 133 15.280 -6.356 9.018 1.00 70.53 H new ATOM 741 N VAL A 134 9.712 -5.778 10.907 1.00 32.12 N ATOM 742 CA VAL A 134 9.658 -7.086 11.552 1.00 4.32 C ATOM 743 C VAL A 134 10.917 -7.894 11.260 1.00 44.53 C ATOM 744 O VAL A 134 11.817 -7.429 10.560 1.00 63.42 O ATOM 745 CB VAL A 134 8.427 -7.888 11.091 1.00 31.13 C ATOM 746 CG1 VAL A 134 7.144 -7.166 11.473 1.00 25.04 C ATOM 747 CG2 VAL A 134 8.483 -8.135 9.592 1.00 63.44 C ATOM 0 H VAL A 134 9.359 -5.765 9.950 1.00 32.12 H new ATOM 0 HA VAL A 134 9.585 -6.908 12.625 1.00 4.32 H new ATOM 0 HB VAL A 134 8.435 -8.854 11.596 1.00 31.13 H new ATOM 0 HG11 VAL A 134 6.285 -7.748 11.139 1.00 25.04 H new ATOM 0 HG12 VAL A 134 7.102 -7.047 12.556 1.00 25.04 H new ATOM 0 HG13 VAL A 134 7.124 -6.185 10.999 1.00 25.04 H new ATOM 0 HG21 VAL A 134 7.605 -8.703 9.284 1.00 63.44 H new ATOM 0 HG22 VAL A 134 8.500 -7.180 9.066 1.00 63.44 H new ATOM 0 HG23 VAL A 134 9.384 -8.699 9.350 1.00 63.44 H new ATOM 757 N ASP A 135 10.974 -9.106 11.800 1.00 50.33 N ATOM 758 CA ASP A 135 12.122 -9.981 11.596 1.00 12.02 C ATOM 759 C ASP A 135 12.432 -10.134 10.110 1.00 21.25 C ATOM 760 O ASP A 135 13.584 -10.331 9.723 1.00 4.45 O ATOM 761 CB ASP A 135 11.862 -11.353 12.219 1.00 22.14 C ATOM 762 CG ASP A 135 12.346 -11.439 13.653 1.00 62.31 C ATOM 763 OD1 ASP A 135 11.983 -10.555 14.457 1.00 44.03 O ATOM 764 OD2 ASP A 135 13.089 -12.392 13.972 1.00 54.41 O ATOM 0 H ASP A 135 10.238 -9.505 12.383 1.00 50.33 H new ATOM 0 HA ASP A 135 12.984 -9.527 12.084 1.00 12.02 H new ATOM 0 HB2 ASP A 135 10.794 -11.567 12.186 1.00 22.14 H new ATOM 0 HB3 ASP A 135 12.359 -12.119 11.624 1.00 22.14 H new ATOM 769 N ASP A 136 11.396 -10.043 9.283 1.00 65.43 N ATOM 770 CA ASP A 136 11.558 -10.172 7.840 1.00 53.15 C ATOM 771 C ASP A 136 10.353 -9.592 7.105 1.00 43.02 C ATOM 772 O ASP A 136 9.302 -10.226 7.017 1.00 1.41 O ATOM 773 CB ASP A 136 11.748 -11.640 7.454 1.00 52.12 C ATOM 774 CG ASP A 136 13.091 -11.898 6.800 1.00 74.11 C ATOM 775 OD1 ASP A 136 13.195 -11.715 5.569 1.00 33.32 O ATOM 776 OD2 ASP A 136 14.036 -12.283 7.518 1.00 24.42 O ATOM 0 H ASP A 136 10.436 -9.881 9.587 1.00 65.43 H new ATOM 0 HA ASP A 136 12.445 -9.611 7.548 1.00 53.15 H new ATOM 0 HB2 ASP A 136 11.656 -12.262 8.345 1.00 52.12 H new ATOM 0 HB3 ASP A 136 10.952 -11.939 6.772 1.00 52.12 H new ATOM 781 N GLY A 137 10.514 -8.382 6.577 1.00 20.23 N ATOM 782 CA GLY A 137 9.432 -7.736 5.858 1.00 33.41 C ATOM 783 C GLY A 137 8.963 -6.463 6.536 1.00 61.54 C ATOM 784 O GLY A 137 9.444 -6.111 7.614 1.00 43.45 O ATOM 0 H GLY A 137 11.375 -7.838 6.635 1.00 20.23 H new ATOM 0 HA2 GLY A 137 9.761 -7.504 4.845 1.00 33.41 H new ATOM 0 HA3 GLY A 137 8.594 -8.428 5.771 1.00 33.41 H new ATOM 788 N THR A 138 8.022 -5.770 5.903 1.00 14.14 N ATOM 789 CA THR A 138 7.490 -4.529 6.450 1.00 10.31 C ATOM 790 C THR A 138 5.969 -4.491 6.353 1.00 71.44 C ATOM 791 O THR A 138 5.399 -4.762 5.296 1.00 1.22 O ATOM 792 CB THR A 138 8.069 -3.300 5.721 1.00 33.24 C ATOM 793 OG1 THR A 138 9.096 -3.710 4.812 1.00 11.23 O ATOM 794 CG2 THR A 138 8.634 -2.298 6.716 1.00 63.32 C ATOM 0 H THR A 138 7.613 -6.047 5.011 1.00 14.14 H new ATOM 0 HA THR A 138 7.785 -4.495 7.499 1.00 10.31 H new ATOM 0 HB THR A 138 7.263 -2.820 5.165 1.00 33.24 H new ATOM 0 HG1 THR A 138 9.458 -2.924 4.351 1.00 11.23 H new ATOM 0 HG21 THR A 138 9.037 -1.439 6.179 1.00 63.32 H new ATOM 0 HG22 THR A 138 7.842 -1.967 7.388 1.00 63.32 H new ATOM 0 HG23 THR A 138 9.428 -2.769 7.295 1.00 63.32 H new ATOM 802 N GLU A 139 5.318 -4.155 7.462 1.00 31.33 N ATOM 803 CA GLU A 139 3.862 -4.084 7.501 1.00 21.10 C ATOM 804 C GLU A 139 3.392 -2.642 7.673 1.00 35.43 C ATOM 805 O GLU A 139 3.331 -2.127 8.790 1.00 14.34 O ATOM 806 CB GLU A 139 3.316 -4.950 8.638 1.00 1.14 C ATOM 807 CG GLU A 139 4.004 -6.299 8.759 1.00 31.44 C ATOM 808 CD GLU A 139 3.467 -7.126 9.911 1.00 64.51 C ATOM 809 OE1 GLU A 139 3.075 -6.531 10.937 1.00 20.35 O ATOM 810 OE2 GLU A 139 3.439 -8.369 9.786 1.00 13.53 O ATOM 0 H GLU A 139 5.775 -3.928 8.345 1.00 31.33 H new ATOM 0 HA GLU A 139 3.480 -4.462 6.552 1.00 21.10 H new ATOM 0 HB2 GLU A 139 3.425 -4.410 9.579 1.00 1.14 H new ATOM 0 HB3 GLU A 139 2.249 -5.108 8.483 1.00 1.14 H new ATOM 0 HG2 GLU A 139 3.876 -6.853 7.829 1.00 31.44 H new ATOM 0 HG3 GLU A 139 5.075 -6.146 8.895 1.00 31.44 H new ATOM 817 N THR A 140 3.062 -1.996 6.561 1.00 41.35 N ATOM 818 CA THR A 140 2.599 -0.614 6.587 1.00 43.51 C ATOM 819 C THR A 140 1.136 -0.532 7.004 1.00 61.20 C ATOM 820 O THR A 140 0.243 -0.935 6.257 1.00 24.43 O ATOM 821 CB THR A 140 2.769 0.062 5.213 1.00 13.33 C ATOM 822 OG1 THR A 140 3.137 -0.912 4.230 1.00 52.04 O ATOM 823 CG2 THR A 140 3.826 1.154 5.274 1.00 71.34 C ATOM 0 H THR A 140 3.107 -2.408 5.629 1.00 41.35 H new ATOM 0 HA THR A 140 3.212 -0.089 7.320 1.00 43.51 H new ATOM 0 HB THR A 140 1.817 0.515 4.936 1.00 13.33 H new ATOM 0 HG1 THR A 140 2.420 -1.575 4.142 1.00 52.04 H new ATOM 0 HG21 THR A 140 3.928 1.617 4.292 1.00 71.34 H new ATOM 0 HG22 THR A 140 3.528 1.909 6.002 1.00 71.34 H new ATOM 0 HG23 THR A 140 4.781 0.720 5.572 1.00 71.34 H new ATOM 831 N HIS A 141 0.895 -0.006 8.201 1.00 72.43 N ATOM 832 CA HIS A 141 -0.463 0.130 8.717 1.00 3.32 C ATOM 833 C HIS A 141 -0.931 1.580 8.640 1.00 42.23 C ATOM 834 O HIS A 141 -0.491 2.428 9.416 1.00 20.44 O ATOM 835 CB HIS A 141 -0.534 -0.364 10.163 1.00 40.04 C ATOM 836 CG HIS A 141 0.012 -1.746 10.350 1.00 63.12 C ATOM 837 ND1 HIS A 141 -0.709 -2.886 10.064 1.00 13.22 N ATOM 838 CD2 HIS A 141 1.219 -2.168 10.797 1.00 75.03 C ATOM 839 CE1 HIS A 141 0.029 -3.949 10.328 1.00 24.40 C ATOM 840 NE2 HIS A 141 1.204 -3.541 10.774 1.00 74.12 N ATOM 0 H HIS A 141 1.622 0.333 8.831 1.00 72.43 H new ATOM 0 HA HIS A 141 -1.122 -0.480 8.099 1.00 3.32 H new ATOM 0 HB2 HIS A 141 0.018 0.326 10.802 1.00 40.04 H new ATOM 0 HB3 HIS A 141 -1.572 -0.344 10.495 1.00 40.04 H new ATOM 0 HD1 HIS A 141 -1.663 -2.905 9.705 1.00 13.22 H new ATOM 0 HD2 HIS A 141 2.040 -1.541 11.113 1.00 75.03 H new ATOM 0 HE1 HIS A 141 -0.276 -4.977 10.201 1.00 24.40 H new ATOM 848 N PHE A 142 -1.824 1.859 7.696 1.00 54.00 N ATOM 849 CA PHE A 142 -2.350 3.207 7.515 1.00 33.34 C ATOM 850 C PHE A 142 -3.876 3.197 7.500 1.00 3.25 C ATOM 851 O PHE A 142 -4.501 2.138 7.549 1.00 14.43 O ATOM 852 CB PHE A 142 -1.820 3.814 6.215 1.00 21.21 C ATOM 853 CG PHE A 142 -1.953 2.901 5.029 1.00 2.23 C ATOM 854 CD1 PHE A 142 -3.202 2.537 4.555 1.00 34.13 C ATOM 855 CD2 PHE A 142 -0.827 2.409 4.389 1.00 53.22 C ATOM 856 CE1 PHE A 142 -3.327 1.697 3.466 1.00 64.42 C ATOM 857 CE2 PHE A 142 -0.945 1.569 3.297 1.00 12.12 C ATOM 858 CZ PHE A 142 -2.197 1.214 2.835 1.00 71.50 C ATOM 0 H PHE A 142 -2.199 1.169 7.044 1.00 54.00 H new ATOM 0 HA PHE A 142 -2.016 3.817 8.355 1.00 33.34 H new ATOM 0 HB2 PHE A 142 -2.356 4.741 6.011 1.00 21.21 H new ATOM 0 HB3 PHE A 142 -0.770 4.075 6.347 1.00 21.21 H new ATOM 0 HD1 PHE A 142 -4.089 2.914 5.043 1.00 34.13 H new ATOM 0 HD2 PHE A 142 0.154 2.685 4.747 1.00 53.22 H new ATOM 0 HE1 PHE A 142 -4.307 1.418 3.108 1.00 64.42 H new ATOM 0 HE2 PHE A 142 -0.060 1.191 2.807 1.00 12.12 H new ATOM 0 HZ PHE A 142 -2.293 0.559 1.981 1.00 71.50 H new ATOM 868 N SER A 143 -4.468 4.386 7.433 1.00 12.10 N ATOM 869 CA SER A 143 -5.920 4.516 7.416 1.00 73.23 C ATOM 870 C SER A 143 -6.355 5.642 6.483 1.00 43.41 C ATOM 871 O SER A 143 -5.591 6.570 6.214 1.00 61.21 O ATOM 872 CB SER A 143 -6.446 4.777 8.829 1.00 54.04 C ATOM 873 OG SER A 143 -5.915 5.980 9.356 1.00 32.13 O ATOM 0 H SER A 143 -3.964 5.272 7.390 1.00 12.10 H new ATOM 0 HA SER A 143 -6.339 3.580 7.046 1.00 73.23 H new ATOM 0 HB2 SER A 143 -7.534 4.833 8.811 1.00 54.04 H new ATOM 0 HB3 SER A 143 -6.181 3.943 9.479 1.00 54.04 H new ATOM 0 HG SER A 143 -6.267 6.125 10.259 1.00 32.13 H new ATOM 879 N VAL A 144 -7.587 5.554 5.993 1.00 44.44 N ATOM 880 CA VAL A 144 -8.123 6.566 5.090 1.00 53.23 C ATOM 881 C VAL A 144 -9.559 6.924 5.458 1.00 22.32 C ATOM 882 O VAL A 144 -10.487 6.157 5.202 1.00 3.32 O ATOM 883 CB VAL A 144 -8.084 6.089 3.626 1.00 54.34 C ATOM 884 CG1 VAL A 144 -8.702 7.133 2.708 1.00 40.31 C ATOM 885 CG2 VAL A 144 -6.656 5.777 3.206 1.00 71.54 C ATOM 0 H VAL A 144 -8.232 4.793 6.206 1.00 44.44 H new ATOM 0 HA VAL A 144 -7.493 7.449 5.193 1.00 53.23 H new ATOM 0 HB VAL A 144 -8.671 5.174 3.544 1.00 54.34 H new ATOM 0 HG11 VAL A 144 -8.666 6.779 1.678 1.00 40.31 H new ATOM 0 HG12 VAL A 144 -9.739 7.303 2.997 1.00 40.31 H new ATOM 0 HG13 VAL A 144 -8.145 8.066 2.791 1.00 40.31 H new ATOM 0 HG21 VAL A 144 -6.647 5.441 2.169 1.00 71.54 H new ATOM 0 HG22 VAL A 144 -6.044 6.674 3.303 1.00 71.54 H new ATOM 0 HG23 VAL A 144 -6.252 4.992 3.845 1.00 71.54 H new ATOM 895 N GLY A 145 -9.735 8.096 6.061 1.00 62.43 N ATOM 896 CA GLY A 145 -11.061 8.536 6.454 1.00 20.11 C ATOM 897 C GLY A 145 -11.698 7.616 7.477 1.00 22.20 C ATOM 898 O GLY A 145 -11.349 7.652 8.656 1.00 35.32 O ATOM 0 H GLY A 145 -8.983 8.748 6.284 1.00 62.43 H new ATOM 0 HA2 GLY A 145 -10.999 9.544 6.865 1.00 20.11 H new ATOM 0 HA3 GLY A 145 -11.699 8.590 5.572 1.00 20.11 H new ATOM 902 N ASN A 146 -12.634 6.789 7.025 1.00 55.34 N ATOM 903 CA ASN A 146 -13.323 5.856 7.909 1.00 33.15 C ATOM 904 C ASN A 146 -12.985 4.413 7.547 1.00 14.22 C ATOM 905 O ASN A 146 -13.020 3.524 8.399 1.00 73.14 O ATOM 906 CB ASN A 146 -14.836 6.072 7.833 1.00 11.15 C ATOM 907 CG ASN A 146 -15.306 7.195 8.737 1.00 3.01 C ATOM 908 OD1 ASN A 146 -15.859 6.954 9.811 1.00 65.23 O ATOM 909 ND2 ASN A 146 -15.087 8.432 8.306 1.00 12.20 N ATOM 0 H ASN A 146 -12.933 6.746 6.051 1.00 55.34 H new ATOM 0 HA ASN A 146 -12.987 6.044 8.929 1.00 33.15 H new ATOM 0 HB2 ASN A 146 -15.117 6.296 6.804 1.00 11.15 H new ATOM 0 HB3 ASN A 146 -15.346 5.149 8.109 1.00 11.15 H new ATOM 0 HD21 ASN A 146 -15.381 9.229 8.871 1.00 12.20 H new ATOM 0 HD22 ASN A 146 -14.625 8.585 7.410 1.00 12.20 H new ATOM 916 N HIS A 147 -12.657 4.188 6.280 1.00 51.31 N ATOM 917 CA HIS A 147 -12.311 2.853 5.805 1.00 63.12 C ATOM 918 C HIS A 147 -11.078 2.321 6.530 1.00 44.51 C ATOM 919 O HIS A 147 -10.616 2.913 7.505 1.00 21.35 O ATOM 920 CB HIS A 147 -12.061 2.874 4.297 1.00 65.34 C ATOM 921 CG HIS A 147 -13.186 3.473 3.511 1.00 34.11 C ATOM 922 ND1 HIS A 147 -14.501 3.087 3.665 1.00 55.22 N ATOM 923 CD2 HIS A 147 -13.188 4.438 2.562 1.00 41.23 C ATOM 924 CE1 HIS A 147 -15.262 3.788 2.844 1.00 73.34 C ATOM 925 NE2 HIS A 147 -14.490 4.615 2.163 1.00 20.44 N ATOM 0 H HIS A 147 -12.623 4.913 5.563 1.00 51.31 H new ATOM 0 HA HIS A 147 -13.150 2.190 6.017 1.00 63.12 H new ATOM 0 HB2 HIS A 147 -11.149 3.436 4.096 1.00 65.34 H new ATOM 0 HB3 HIS A 147 -11.890 1.855 3.951 1.00 65.34 H new ATOM 0 HD2 HIS A 147 -12.326 4.970 2.188 1.00 41.23 H new ATOM 0 HE1 HIS A 147 -16.334 3.700 2.746 1.00 73.34 H new ATOM 0 HE2 HIS A 147 -14.809 5.277 1.456 1.00 20.44 H new ATOM 933 N ASP A 148 -10.551 1.201 6.047 1.00 42.43 N ATOM 934 CA ASP A 148 -9.371 0.591 6.647 1.00 32.35 C ATOM 935 C ASP A 148 -8.587 -0.211 5.613 1.00 71.04 C ATOM 936 O ASP A 148 -9.087 -1.198 5.070 1.00 64.25 O ATOM 937 CB ASP A 148 -9.777 -0.314 7.812 1.00 31.14 C ATOM 938 CG ASP A 148 -8.920 -0.093 9.042 1.00 31.14 C ATOM 939 OD1 ASP A 148 -7.741 0.288 8.885 1.00 73.03 O ATOM 940 OD2 ASP A 148 -9.429 -0.300 10.164 1.00 64.22 O ATOM 0 H ASP A 148 -10.923 0.697 5.242 1.00 42.43 H new ATOM 0 HA ASP A 148 -8.730 1.389 7.022 1.00 32.35 H new ATOM 0 HB2 ASP A 148 -10.822 -0.131 8.063 1.00 31.14 H new ATOM 0 HB3 ASP A 148 -9.701 -1.356 7.502 1.00 31.14 H new ATOM 945 N CYS A 149 -7.359 0.218 5.345 1.00 14.41 N ATOM 946 CA CYS A 149 -6.508 -0.458 4.374 1.00 64.40 C ATOM 947 C CYS A 149 -5.054 -0.462 4.836 1.00 72.32 C ATOM 948 O CYS A 149 -4.666 0.317 5.707 1.00 53.41 O ATOM 949 CB CYS A 149 -6.619 0.219 3.007 1.00 43.25 C ATOM 950 SG CYS A 149 -7.002 1.984 3.087 1.00 41.21 S ATOM 0 H CYS A 149 -6.931 1.031 5.787 1.00 14.41 H new ATOM 0 HA CYS A 149 -6.847 -1.490 4.288 1.00 64.40 H new ATOM 0 HB2 CYS A 149 -5.680 0.086 2.470 1.00 43.25 H new ATOM 0 HB3 CYS A 149 -7.392 -0.284 2.426 1.00 43.25 H new ATOM 0 HG CYS A 149 -7.073 2.468 1.882 1.00 41.21 H new ATOM 956 N TYR A 150 -4.254 -1.346 4.248 1.00 12.41 N ATOM 957 CA TYR A 150 -2.844 -1.454 4.602 1.00 50.30 C ATOM 958 C TYR A 150 -2.043 -2.077 3.463 1.00 32.03 C ATOM 959 O TYR A 150 -2.575 -2.848 2.665 1.00 73.13 O ATOM 960 CB TYR A 150 -2.679 -2.289 5.873 1.00 10.31 C ATOM 961 CG TYR A 150 -2.990 -3.756 5.679 1.00 44.02 C ATOM 962 CD1 TYR A 150 -4.301 -4.195 5.537 1.00 22.32 C ATOM 963 CD2 TYR A 150 -1.974 -4.702 5.638 1.00 62.14 C ATOM 964 CE1 TYR A 150 -4.589 -5.534 5.361 1.00 72.13 C ATOM 965 CE2 TYR A 150 -2.254 -6.043 5.460 1.00 63.33 C ATOM 966 CZ TYR A 150 -3.563 -6.454 5.322 1.00 20.21 C ATOM 967 OH TYR A 150 -3.846 -7.789 5.145 1.00 34.33 O ATOM 0 H TYR A 150 -4.558 -1.997 3.525 1.00 12.41 H new ATOM 0 HA TYR A 150 -2.462 -0.449 4.783 1.00 50.30 H new ATOM 0 HB2 TYR A 150 -1.655 -2.188 6.234 1.00 10.31 H new ATOM 0 HB3 TYR A 150 -3.331 -1.887 6.649 1.00 10.31 H new ATOM 0 HD1 TYR A 150 -5.108 -3.477 5.565 1.00 22.32 H new ATOM 0 HD2 TYR A 150 -0.948 -4.384 5.747 1.00 62.14 H new ATOM 0 HE1 TYR A 150 -5.613 -5.859 5.254 1.00 72.13 H new ATOM 0 HE2 TYR A 150 -1.452 -6.766 5.429 1.00 63.33 H new ATOM 0 HH TYR A 150 -3.011 -8.302 5.140 1.00 34.33 H new ATOM 977 N ILE A 151 -0.760 -1.737 3.396 1.00 51.44 N ATOM 978 CA ILE A 151 0.115 -2.263 2.357 1.00 63.23 C ATOM 979 C ILE A 151 0.956 -3.422 2.881 1.00 21.42 C ATOM 980 O ILE A 151 1.840 -3.235 3.718 1.00 50.32 O ATOM 981 CB ILE A 151 1.054 -1.173 1.804 1.00 14.45 C ATOM 982 CG1 ILE A 151 0.330 -0.334 0.749 1.00 71.31 C ATOM 983 CG2 ILE A 151 2.310 -1.801 1.221 1.00 3.34 C ATOM 984 CD1 ILE A 151 1.137 0.848 0.259 1.00 22.44 C ATOM 0 H ILE A 151 -0.304 -1.100 4.049 1.00 51.44 H new ATOM 0 HA ILE A 151 -0.530 -2.618 1.553 1.00 63.23 H new ATOM 0 HB ILE A 151 1.348 -0.517 2.623 1.00 14.45 H new ATOM 0 HG12 ILE A 151 0.080 -0.970 -0.100 1.00 71.31 H new ATOM 0 HG13 ILE A 151 -0.611 0.026 1.166 1.00 71.31 H new ATOM 0 HG21 ILE A 151 2.963 -1.018 0.835 1.00 3.34 H new ATOM 0 HG22 ILE A 151 2.833 -2.358 1.998 1.00 3.34 H new ATOM 0 HG23 ILE A 151 2.036 -2.477 0.411 1.00 3.34 H new ATOM 0 HD11 ILE A 151 0.562 1.397 -0.487 1.00 22.44 H new ATOM 0 HD12 ILE A 151 1.365 1.506 1.098 1.00 22.44 H new ATOM 0 HD13 ILE A 151 2.066 0.494 -0.188 1.00 22.44 H new ATOM 996 N LYS A 152 0.675 -4.622 2.383 1.00 3.41 N ATOM 997 CA LYS A 152 1.406 -5.814 2.797 1.00 1.24 C ATOM 998 C LYS A 152 2.724 -5.935 2.038 1.00 62.10 C ATOM 999 O LYS A 152 2.746 -6.338 0.875 1.00 33.31 O ATOM 1000 CB LYS A 152 0.556 -7.065 2.568 1.00 54.33 C ATOM 1001 CG LYS A 152 0.476 -7.976 3.781 1.00 65.35 C ATOM 1002 CD LYS A 152 -0.654 -8.983 3.647 1.00 63.13 C ATOM 1003 CE LYS A 152 -0.420 -9.933 2.483 1.00 45.03 C ATOM 1004 NZ LYS A 152 0.767 -10.804 2.706 1.00 0.34 N ATOM 0 H LYS A 152 -0.055 -4.795 1.691 1.00 3.41 H new ATOM 0 HA LYS A 152 1.627 -5.723 3.861 1.00 1.24 H new ATOM 0 HB2 LYS A 152 -0.452 -6.762 2.284 1.00 54.33 H new ATOM 0 HB3 LYS A 152 0.968 -7.626 1.729 1.00 54.33 H new ATOM 0 HG2 LYS A 152 1.422 -8.503 3.904 1.00 65.35 H new ATOM 0 HG3 LYS A 152 0.326 -7.376 4.679 1.00 65.35 H new ATOM 0 HD2 LYS A 152 -0.745 -9.554 4.571 1.00 63.13 H new ATOM 0 HD3 LYS A 152 -1.597 -8.456 3.504 1.00 63.13 H new ATOM 0 HE2 LYS A 152 -1.304 -10.554 2.338 1.00 45.03 H new ATOM 0 HE3 LYS A 152 -0.281 -9.358 1.568 1.00 45.03 H new ATOM 0 HZ1 LYS A 152 0.785 -11.556 1.988 1.00 0.34 H new ATOM 0 HZ2 LYS A 152 1.634 -10.234 2.633 1.00 0.34 H new ATOM 0 HZ3 LYS A 152 0.712 -11.230 3.653 1.00 0.34 H new ATOM 1018 N ALA A 153 3.820 -5.586 2.703 1.00 21.24 N ATOM 1019 CA ALA A 153 5.141 -5.660 2.092 1.00 52.32 C ATOM 1020 C ALA A 153 5.866 -6.936 2.504 1.00 31.35 C ATOM 1021 O ALA A 153 5.678 -7.439 3.612 1.00 30.42 O ATOM 1022 CB ALA A 153 5.966 -4.438 2.467 1.00 51.31 C ATOM 0 H ALA A 153 3.819 -5.249 3.666 1.00 21.24 H new ATOM 0 HA ALA A 153 5.012 -5.680 1.010 1.00 52.32 H new ATOM 0 HB1 ALA A 153 6.950 -4.507 2.003 1.00 51.31 H new ATOM 0 HB2 ALA A 153 5.462 -3.537 2.116 1.00 51.31 H new ATOM 0 HB3 ALA A 153 6.078 -4.393 3.550 1.00 51.31 H new ATOM 1028 N VAL A 154 6.695 -7.457 1.605 1.00 23.10 N ATOM 1029 CA VAL A 154 7.449 -8.676 1.876 1.00 54.30 C ATOM 1030 C VAL A 154 8.825 -8.628 1.221 1.00 1.42 C ATOM 1031 O VAL A 154 8.940 -8.466 0.006 1.00 52.24 O ATOM 1032 CB VAL A 154 6.698 -9.923 1.375 1.00 31.51 C ATOM 1033 CG1 VAL A 154 7.399 -11.191 1.840 1.00 14.45 C ATOM 1034 CG2 VAL A 154 5.252 -9.900 1.848 1.00 13.12 C ATOM 0 H VAL A 154 6.862 -7.054 0.683 1.00 23.10 H new ATOM 0 HA VAL A 154 7.567 -8.742 2.958 1.00 54.30 H new ATOM 0 HB VAL A 154 6.700 -9.914 0.285 1.00 31.51 H new ATOM 0 HG11 VAL A 154 6.854 -12.062 1.477 1.00 14.45 H new ATOM 0 HG12 VAL A 154 8.416 -11.209 1.448 1.00 14.45 H new ATOM 0 HG13 VAL A 154 7.430 -11.211 2.929 1.00 14.45 H new ATOM 0 HG21 VAL A 154 4.736 -10.789 1.485 1.00 13.12 H new ATOM 0 HG22 VAL A 154 5.226 -9.885 2.938 1.00 13.12 H new ATOM 0 HG23 VAL A 154 4.757 -9.009 1.461 1.00 13.12 H new ATOM 1044 N SER A 155 9.866 -8.770 2.034 1.00 45.54 N ATOM 1045 CA SER A 155 11.236 -8.739 1.534 1.00 1.01 C ATOM 1046 C SER A 155 11.704 -10.139 1.144 1.00 13.23 C ATOM 1047 O SER A 155 11.410 -11.116 1.831 1.00 70.53 O ATOM 1048 CB SER A 155 12.174 -8.152 2.590 1.00 21.32 C ATOM 1049 OG SER A 155 12.802 -9.177 3.341 1.00 32.33 O ATOM 0 H SER A 155 9.788 -8.908 3.042 1.00 45.54 H new ATOM 0 HA SER A 155 11.258 -8.106 0.647 1.00 1.01 H new ATOM 0 HB2 SER A 155 12.931 -7.536 2.106 1.00 21.32 H new ATOM 0 HB3 SER A 155 11.612 -7.500 3.258 1.00 21.32 H new ATOM 0 HG SER A 155 13.397 -8.776 4.008 1.00 32.33 H new ATOM 1055 N SER A 156 12.432 -10.224 0.036 1.00 23.40 N ATOM 1056 CA SER A 156 12.938 -11.504 -0.449 1.00 22.05 C ATOM 1057 C SER A 156 14.344 -11.351 -1.020 1.00 52.23 C ATOM 1058 O SER A 156 14.659 -10.351 -1.665 1.00 2.13 O ATOM 1059 CB SER A 156 12.001 -12.075 -1.515 1.00 12.15 C ATOM 1060 OG SER A 156 12.603 -13.166 -2.191 1.00 15.42 O ATOM 0 H SER A 156 12.685 -9.423 -0.543 1.00 23.40 H new ATOM 0 HA SER A 156 12.981 -12.193 0.394 1.00 22.05 H new ATOM 0 HB2 SER A 156 11.071 -12.400 -1.050 1.00 12.15 H new ATOM 0 HB3 SER A 156 11.743 -11.296 -2.232 1.00 12.15 H new ATOM 0 HG SER A 156 11.984 -13.515 -2.866 1.00 15.42 H new ATOM 1066 N GLY A 157 15.187 -12.351 -0.780 1.00 14.25 N ATOM 1067 CA GLY A 157 16.549 -12.309 -1.276 1.00 52.01 C ATOM 1068 C GLY A 157 17.571 -12.581 -0.190 1.00 14.52 C ATOM 1069 O GLY A 157 17.220 -12.727 0.980 1.00 21.04 O ATOM 0 H GLY A 157 14.950 -13.190 -0.250 1.00 14.25 H new ATOM 0 HA2 GLY A 157 16.665 -13.044 -2.072 1.00 52.01 H new ATOM 0 HA3 GLY A 157 16.742 -11.330 -1.715 1.00 52.01 H new ATOM 1073 N LYS A 158 18.841 -12.650 -0.578 1.00 55.52 N ATOM 1074 CA LYS A 158 19.917 -12.906 0.371 1.00 63.53 C ATOM 1075 C LYS A 158 19.944 -11.843 1.464 1.00 42.53 C ATOM 1076 O LYS A 158 20.202 -12.145 2.630 1.00 52.11 O ATOM 1077 CB LYS A 158 21.265 -12.942 -0.354 1.00 43.32 C ATOM 1078 CG LYS A 158 21.437 -14.149 -1.261 1.00 13.00 C ATOM 1079 CD LYS A 158 22.267 -13.811 -2.487 1.00 74.04 C ATOM 1080 CE LYS A 158 23.472 -14.731 -2.615 1.00 12.42 C ATOM 1081 NZ LYS A 158 24.018 -14.739 -4.000 1.00 42.42 N ATOM 0 H LYS A 158 19.149 -12.532 -1.543 1.00 55.52 H new ATOM 0 HA LYS A 158 19.735 -13.875 0.836 1.00 63.53 H new ATOM 0 HB2 LYS A 158 21.373 -12.034 -0.947 1.00 43.32 H new ATOM 0 HB3 LYS A 158 22.066 -12.937 0.385 1.00 43.32 H new ATOM 0 HG2 LYS A 158 21.916 -14.956 -0.707 1.00 13.00 H new ATOM 0 HG3 LYS A 158 20.458 -14.514 -1.572 1.00 13.00 H new ATOM 0 HD2 LYS A 158 21.648 -13.893 -3.381 1.00 74.04 H new ATOM 0 HD3 LYS A 158 22.603 -12.776 -2.426 1.00 74.04 H new ATOM 0 HE2 LYS A 158 24.249 -14.411 -1.920 1.00 12.42 H new ATOM 0 HE3 LYS A 158 23.187 -15.744 -2.331 1.00 12.42 H new ATOM 0 HZ1 LYS A 158 24.838 -15.377 -4.046 1.00 42.42 H new ATOM 0 HZ2 LYS A 158 23.285 -15.068 -4.660 1.00 42.42 H new ATOM 0 HZ3 LYS A 158 24.313 -13.777 -4.262 1.00 42.42 H new ATOM 1095 N ARG A 159 19.676 -10.599 1.080 1.00 12.22 N ATOM 1096 CA ARG A 159 19.670 -9.492 2.028 1.00 0.31 C ATOM 1097 C ARG A 159 18.854 -8.320 1.490 1.00 0.44 C ATOM 1098 O ARG A 159 19.410 -7.326 1.020 1.00 23.22 O ATOM 1099 CB ARG A 159 21.100 -9.039 2.325 1.00 4.43 C ATOM 1100 CG ARG A 159 21.928 -8.778 1.077 1.00 21.10 C ATOM 1101 CD ARG A 159 22.611 -7.421 1.134 1.00 0.44 C ATOM 1102 NE ARG A 159 23.675 -7.302 0.141 1.00 12.24 N ATOM 1103 CZ ARG A 159 24.468 -6.241 0.038 1.00 70.31 C ATOM 1104 NH1 ARG A 159 24.319 -5.214 0.863 1.00 33.03 N ATOM 1105 NH2 ARG A 159 25.414 -6.206 -0.892 1.00 4.12 N ATOM 0 H ARG A 159 19.460 -10.333 0.119 1.00 12.22 H new ATOM 0 HA ARG A 159 19.208 -9.840 2.952 1.00 0.31 H new ATOM 0 HB2 ARG A 159 21.067 -8.130 2.925 1.00 4.43 H new ATOM 0 HB3 ARG A 159 21.596 -9.801 2.927 1.00 4.43 H new ATOM 0 HG2 ARG A 159 22.679 -9.560 0.968 1.00 21.10 H new ATOM 0 HG3 ARG A 159 21.287 -8.827 0.197 1.00 21.10 H new ATOM 0 HD2 ARG A 159 21.873 -6.636 0.970 1.00 0.44 H new ATOM 0 HD3 ARG A 159 23.026 -7.265 2.130 1.00 0.44 H new ATOM 0 HE ARG A 159 23.817 -8.075 -0.509 1.00 12.24 H new ATOM 0 HH11 ARG A 159 23.594 -5.237 1.580 1.00 33.03 H new ATOM 0 HH12 ARG A 159 24.930 -4.401 0.781 1.00 33.03 H new ATOM 0 HH21 ARG A 159 25.533 -6.994 -1.529 1.00 4.12 H new ATOM 0 HH22 ARG A 159 26.022 -5.391 -0.970 1.00 4.12 H new ATOM 1119 N LYS A 160 17.534 -8.443 1.561 1.00 55.44 N ATOM 1120 CA LYS A 160 16.640 -7.394 1.082 1.00 70.10 C ATOM 1121 C LYS A 160 16.928 -7.059 -0.378 1.00 63.14 C ATOM 1122 O LYS A 160 16.709 -5.932 -0.820 1.00 13.01 O ATOM 1123 CB LYS A 160 16.787 -6.138 1.943 1.00 73.21 C ATOM 1124 CG LYS A 160 16.521 -6.378 3.419 1.00 12.44 C ATOM 1125 CD LYS A 160 15.664 -5.275 4.018 1.00 12.51 C ATOM 1126 CE LYS A 160 16.480 -4.020 4.287 1.00 11.14 C ATOM 1127 NZ LYS A 160 16.407 -3.607 5.716 1.00 30.21 N ATOM 0 H LYS A 160 17.058 -9.259 1.946 1.00 55.44 H new ATOM 0 HA LYS A 160 15.616 -7.761 1.157 1.00 70.10 H new ATOM 0 HB2 LYS A 160 17.795 -5.742 1.824 1.00 73.21 H new ATOM 0 HB3 LYS A 160 16.100 -5.375 1.578 1.00 73.21 H new ATOM 0 HG2 LYS A 160 16.022 -7.338 3.548 1.00 12.44 H new ATOM 0 HG3 LYS A 160 17.468 -6.436 3.956 1.00 12.44 H new ATOM 0 HD2 LYS A 160 14.845 -5.039 3.338 1.00 12.51 H new ATOM 0 HD3 LYS A 160 15.216 -5.625 4.948 1.00 12.51 H new ATOM 0 HE2 LYS A 160 17.520 -4.197 4.013 1.00 11.14 H new ATOM 0 HE3 LYS A 160 16.118 -3.209 3.655 1.00 11.14 H new ATOM 0 HZ1 LYS A 160 16.976 -2.748 5.859 1.00 30.21 H new ATOM 0 HZ2 LYS A 160 15.418 -3.413 5.971 1.00 30.21 H new ATOM 0 HZ3 LYS A 160 16.776 -4.371 6.317 1.00 30.21 H new ATOM 1141 N GLU A 161 17.419 -8.046 -1.121 1.00 63.15 N ATOM 1142 CA GLU A 161 17.736 -7.854 -2.532 1.00 31.31 C ATOM 1143 C GLU A 161 16.529 -7.313 -3.292 1.00 53.14 C ATOM 1144 O GLU A 161 16.651 -6.390 -4.096 1.00 71.32 O ATOM 1145 CB GLU A 161 18.197 -9.172 -3.158 1.00 2.04 C ATOM 1146 CG GLU A 161 18.869 -9.002 -4.510 1.00 24.34 C ATOM 1147 CD GLU A 161 19.233 -10.327 -5.152 1.00 13.20 C ATOM 1148 OE1 GLU A 161 19.837 -11.175 -4.462 1.00 0.31 O ATOM 1149 OE2 GLU A 161 18.913 -10.515 -6.344 1.00 33.03 O ATOM 0 H GLU A 161 17.606 -8.985 -0.770 1.00 63.15 H new ATOM 0 HA GLU A 161 18.544 -7.125 -2.600 1.00 31.31 H new ATOM 0 HB2 GLU A 161 18.890 -9.665 -2.477 1.00 2.04 H new ATOM 0 HB3 GLU A 161 17.337 -9.832 -3.270 1.00 2.04 H new ATOM 0 HG2 GLU A 161 18.204 -8.451 -5.175 1.00 24.34 H new ATOM 0 HG3 GLU A 161 19.770 -8.401 -4.390 1.00 24.34 H new ATOM 1156 N GLY A 162 15.362 -7.896 -3.030 1.00 42.13 N ATOM 1157 CA GLY A 162 14.149 -7.460 -3.698 1.00 22.05 C ATOM 1158 C GLY A 162 12.936 -7.519 -2.791 1.00 43.22 C ATOM 1159 O GLY A 162 12.706 -8.522 -2.116 1.00 32.42 O ATOM 0 H GLY A 162 15.235 -8.661 -2.368 1.00 42.13 H new ATOM 0 HA2 GLY A 162 14.282 -6.439 -4.056 1.00 22.05 H new ATOM 0 HA3 GLY A 162 13.975 -8.085 -4.574 1.00 22.05 H new ATOM 1163 N ILE A 163 12.159 -6.442 -2.775 1.00 51.42 N ATOM 1164 CA ILE A 163 10.963 -6.375 -1.944 1.00 34.41 C ATOM 1165 C ILE A 163 9.718 -6.133 -2.791 1.00 14.53 C ATOM 1166 O ILE A 163 9.775 -5.454 -3.816 1.00 53.11 O ATOM 1167 CB ILE A 163 11.074 -5.262 -0.885 1.00 3.01 C ATOM 1168 CG1 ILE A 163 12.378 -5.405 -0.098 1.00 64.52 C ATOM 1169 CG2 ILE A 163 9.877 -5.301 0.052 1.00 21.03 C ATOM 1170 CD1 ILE A 163 12.638 -4.260 0.855 1.00 52.23 C ATOM 0 H ILE A 163 12.336 -5.603 -3.328 1.00 51.42 H new ATOM 0 HA ILE A 163 10.875 -7.337 -1.440 1.00 34.41 H new ATOM 0 HB ILE A 163 11.082 -4.298 -1.393 1.00 3.01 H new ATOM 0 HG12 ILE A 163 12.352 -6.337 0.466 1.00 64.52 H new ATOM 0 HG13 ILE A 163 13.209 -5.479 -0.799 1.00 64.52 H new ATOM 0 HG21 ILE A 163 9.970 -4.508 0.795 1.00 21.03 H new ATOM 0 HG22 ILE A 163 8.961 -5.155 -0.521 1.00 21.03 H new ATOM 0 HG23 ILE A 163 9.840 -6.267 0.555 1.00 21.03 H new ATOM 0 HD11 ILE A 163 13.579 -4.429 1.378 1.00 52.23 H new ATOM 0 HD12 ILE A 163 12.697 -3.327 0.295 1.00 52.23 H new ATOM 0 HD13 ILE A 163 11.826 -4.198 1.579 1.00 52.23 H new ATOM 1182 N ILE A 164 8.594 -6.691 -2.353 1.00 62.24 N ATOM 1183 CA ILE A 164 7.335 -6.533 -3.070 1.00 61.45 C ATOM 1184 C ILE A 164 6.223 -6.076 -2.133 1.00 2.45 C ATOM 1185 O ILE A 164 6.025 -6.647 -1.060 1.00 4.11 O ATOM 1186 CB ILE A 164 6.907 -7.847 -3.752 1.00 4.42 C ATOM 1187 CG1 ILE A 164 7.998 -8.328 -4.711 1.00 11.34 C ATOM 1188 CG2 ILE A 164 5.591 -7.655 -4.492 1.00 20.24 C ATOM 1189 CD1 ILE A 164 7.845 -9.776 -5.122 1.00 44.33 C ATOM 0 H ILE A 164 8.530 -7.256 -1.506 1.00 62.24 H new ATOM 0 HA ILE A 164 7.500 -5.773 -3.834 1.00 61.45 H new ATOM 0 HB ILE A 164 6.763 -8.608 -2.985 1.00 4.42 H new ATOM 0 HG12 ILE A 164 7.988 -7.702 -5.603 1.00 11.34 H new ATOM 0 HG13 ILE A 164 8.971 -8.194 -4.239 1.00 11.34 H new ATOM 0 HG21 ILE A 164 5.302 -8.592 -4.969 1.00 20.24 H new ATOM 0 HG22 ILE A 164 4.817 -7.353 -3.786 1.00 20.24 H new ATOM 0 HG23 ILE A 164 5.710 -6.883 -5.252 1.00 20.24 H new ATOM 0 HD11 ILE A 164 8.652 -10.049 -5.802 1.00 44.33 H new ATOM 0 HD12 ILE A 164 7.885 -10.412 -4.237 1.00 44.33 H new ATOM 0 HD13 ILE A 164 6.887 -9.913 -5.623 1.00 44.33 H new ATOM 1201 N HIS A 165 5.497 -5.041 -2.544 1.00 61.25 N ATOM 1202 CA HIS A 165 4.402 -4.507 -1.742 1.00 43.01 C ATOM 1203 C HIS A 165 3.054 -4.838 -2.374 1.00 43.14 C ATOM 1204 O HIS A 165 2.883 -4.733 -3.590 1.00 32.22 O ATOM 1205 CB HIS A 165 4.548 -2.993 -1.586 1.00 40.24 C ATOM 1206 CG HIS A 165 5.956 -2.549 -1.333 1.00 21.01 C ATOM 1207 ND1 HIS A 165 6.611 -2.302 -0.175 1.00 4.12 N flip ATOM 1208 CD2 HIS A 165 6.862 -2.309 -2.344 1.00 50.21 C flip ATOM 1209 CE1 HIS A 165 7.889 -1.921 -0.504 1.00 10.22 C flip ATOM 1210 NE2 HIS A 165 8.015 -1.934 -1.818 1.00 11.35 N flip ATOM 0 H HIS A 165 5.647 -4.555 -3.428 1.00 61.25 H new ATOM 0 HA HIS A 165 4.445 -4.972 -0.757 1.00 43.01 H new ATOM 0 HB2 HIS A 165 4.179 -2.506 -2.489 1.00 40.24 H new ATOM 0 HB3 HIS A 165 3.917 -2.659 -0.763 1.00 40.24 H new ATOM 0 HD2 HIS A 165 6.661 -2.411 -3.400 1.00 50.21 H new ATOM 0 HE1 HIS A 165 8.665 -1.654 0.198 1.00 10.22 H new ATOM 0 HE2 HIS A 165 8.859 -1.695 -2.339 1.00 11.35 H new ATOM 1218 N THR A 166 2.098 -5.240 -1.543 1.00 13.44 N ATOM 1219 CA THR A 166 0.765 -5.587 -2.020 1.00 62.53 C ATOM 1220 C THR A 166 -0.311 -4.857 -1.226 1.00 1.32 C ATOM 1221 O THR A 166 -0.512 -5.124 -0.041 1.00 13.41 O ATOM 1222 CB THR A 166 0.514 -7.104 -1.928 1.00 64.21 C ATOM 1223 OG1 THR A 166 1.561 -7.729 -1.176 1.00 42.14 O ATOM 1224 CG2 THR A 166 0.439 -7.726 -3.315 1.00 4.34 C ATOM 0 H THR A 166 2.222 -5.333 -0.535 1.00 13.44 H new ATOM 0 HA THR A 166 0.713 -5.279 -3.064 1.00 62.53 H new ATOM 0 HB THR A 166 -0.440 -7.262 -1.424 1.00 64.21 H new ATOM 0 HG1 THR A 166 1.772 -7.181 -0.391 1.00 42.14 H new ATOM 0 HG21 THR A 166 0.261 -8.798 -3.224 1.00 4.34 H new ATOM 0 HG22 THR A 166 -0.377 -7.269 -3.875 1.00 4.34 H new ATOM 0 HG23 THR A 166 1.379 -7.557 -3.841 1.00 4.34 H new ATOM 1232 N LEU A 167 -1.002 -3.934 -1.886 1.00 53.04 N ATOM 1233 CA LEU A 167 -2.061 -3.165 -1.241 1.00 40.24 C ATOM 1234 C LEU A 167 -3.273 -4.044 -0.950 1.00 54.13 C ATOM 1235 O LEU A 167 -3.708 -4.820 -1.801 1.00 40.23 O ATOM 1236 CB LEU A 167 -2.473 -1.986 -2.126 1.00 23.00 C ATOM 1237 CG LEU A 167 -3.721 -1.221 -1.687 1.00 33.45 C ATOM 1238 CD1 LEU A 167 -3.612 -0.816 -0.224 1.00 40.33 C ATOM 1239 CD2 LEU A 167 -3.934 0.002 -2.566 1.00 55.11 C ATOM 0 H LEU A 167 -0.848 -3.700 -2.867 1.00 53.04 H new ATOM 0 HA LEU A 167 -1.675 -2.785 -0.295 1.00 40.24 H new ATOM 0 HB2 LEU A 167 -1.640 -1.285 -2.174 1.00 23.00 H new ATOM 0 HB3 LEU A 167 -2.636 -2.357 -3.138 1.00 23.00 H new ATOM 0 HG LEU A 167 -4.584 -1.878 -1.798 1.00 33.45 H new ATOM 0 HD11 LEU A 167 -4.510 -0.272 0.071 1.00 40.33 H new ATOM 0 HD12 LEU A 167 -3.509 -1.708 0.394 1.00 40.33 H new ATOM 0 HD13 LEU A 167 -2.740 -0.177 -0.087 1.00 40.33 H new ATOM 0 HD21 LEU A 167 -4.827 0.534 -2.239 1.00 55.11 H new ATOM 0 HD22 LEU A 167 -3.070 0.661 -2.488 1.00 55.11 H new ATOM 0 HD23 LEU A 167 -4.058 -0.312 -3.602 1.00 55.11 H new ATOM 1251 N ILE A 168 -3.815 -3.914 0.257 1.00 62.44 N ATOM 1252 CA ILE A 168 -4.978 -4.695 0.658 1.00 32.51 C ATOM 1253 C ILE A 168 -5.991 -3.830 1.398 1.00 13.55 C ATOM 1254 O ILE A 168 -5.679 -3.232 2.429 1.00 1.00 O ATOM 1255 CB ILE A 168 -4.578 -5.880 1.557 1.00 75.30 C ATOM 1256 CG1 ILE A 168 -3.512 -6.734 0.868 1.00 32.20 C ATOM 1257 CG2 ILE A 168 -5.799 -6.721 1.899 1.00 23.21 C ATOM 1258 CD1 ILE A 168 -3.272 -8.064 1.548 1.00 4.21 C ATOM 0 H ILE A 168 -3.467 -3.276 0.973 1.00 62.44 H new ATOM 0 HA ILE A 168 -5.430 -5.080 -0.256 1.00 32.51 H new ATOM 0 HB ILE A 168 -4.159 -5.489 2.484 1.00 75.30 H new ATOM 0 HG12 ILE A 168 -3.812 -6.912 -0.165 1.00 32.20 H new ATOM 0 HG13 ILE A 168 -2.576 -6.177 0.837 1.00 32.20 H new ATOM 0 HG21 ILE A 168 -5.500 -7.554 2.535 1.00 23.21 H new ATOM 0 HG22 ILE A 168 -6.528 -6.106 2.426 1.00 23.21 H new ATOM 0 HG23 ILE A 168 -6.244 -7.106 0.982 1.00 23.21 H new ATOM 0 HD11 ILE A 168 -2.504 -8.616 1.006 1.00 4.21 H new ATOM 0 HD12 ILE A 168 -2.942 -7.894 2.573 1.00 4.21 H new ATOM 0 HD13 ILE A 168 -4.197 -8.641 1.556 1.00 4.21 H new ATOM 1270 N VAL A 169 -7.208 -3.767 0.868 1.00 72.25 N ATOM 1271 CA VAL A 169 -8.270 -2.977 1.479 1.00 21.02 C ATOM 1272 C VAL A 169 -9.476 -3.845 1.819 1.00 51.14 C ATOM 1273 O VAL A 169 -10.032 -4.521 0.952 1.00 22.34 O ATOM 1274 CB VAL A 169 -8.721 -1.831 0.554 1.00 61.11 C ATOM 1275 CG1 VAL A 169 -9.645 -0.877 1.297 1.00 54.35 C ATOM 1276 CG2 VAL A 169 -7.514 -1.091 -0.004 1.00 32.33 C ATOM 0 H VAL A 169 -7.483 -4.254 0.015 1.00 72.25 H new ATOM 0 HA VAL A 169 -7.861 -2.554 2.396 1.00 21.02 H new ATOM 0 HB VAL A 169 -9.275 -2.258 -0.282 1.00 61.11 H new ATOM 0 HG11 VAL A 169 -9.953 -0.074 0.628 1.00 54.35 H new ATOM 0 HG12 VAL A 169 -10.525 -1.419 1.643 1.00 54.35 H new ATOM 0 HG13 VAL A 169 -9.119 -0.454 2.153 1.00 54.35 H new ATOM 0 HG21 VAL A 169 -7.851 -0.285 -0.655 1.00 32.33 H new ATOM 0 HG22 VAL A 169 -6.931 -0.674 0.817 1.00 32.33 H new ATOM 0 HG23 VAL A 169 -6.894 -1.783 -0.574 1.00 32.33 H new ATOM 1286 N ASP A 170 -9.877 -3.823 3.085 1.00 3.11 N ATOM 1287 CA ASP A 170 -11.019 -4.607 3.541 1.00 73.03 C ATOM 1288 C ASP A 170 -10.749 -6.101 3.387 1.00 5.13 C ATOM 1289 O ASP A 170 -11.641 -6.870 3.033 1.00 0.54 O ATOM 1290 CB ASP A 170 -12.274 -4.221 2.758 1.00 52.13 C ATOM 1291 CG ASP A 170 -13.499 -4.111 3.644 1.00 41.11 C ATOM 1292 OD1 ASP A 170 -13.392 -3.509 4.733 1.00 4.33 O ATOM 1293 OD2 ASP A 170 -14.566 -4.626 3.250 1.00 44.52 O ATOM 0 H ASP A 170 -9.428 -3.270 3.815 1.00 3.11 H new ATOM 0 HA ASP A 170 -11.178 -4.391 4.598 1.00 73.03 H new ATOM 0 HB2 ASP A 170 -12.106 -3.268 2.255 1.00 52.13 H new ATOM 0 HB3 ASP A 170 -12.457 -4.964 1.981 1.00 52.13 H new ATOM 1298 N ASN A 171 -9.510 -6.503 3.654 1.00 0.42 N ATOM 1299 CA ASN A 171 -9.121 -7.904 3.544 1.00 51.35 C ATOM 1300 C ASN A 171 -9.260 -8.396 2.106 1.00 13.21 C ATOM 1301 O ASN A 171 -9.750 -9.499 1.862 1.00 23.21 O ATOM 1302 CB ASN A 171 -9.975 -8.767 4.475 1.00 3.12 C ATOM 1303 CG ASN A 171 -9.174 -9.871 5.136 1.00 22.15 C ATOM 1304 OD1 ASN A 171 -9.382 -11.053 4.863 1.00 33.50 O ATOM 1305 ND2 ASN A 171 -8.251 -9.490 6.012 1.00 11.50 N ATOM 0 H ASN A 171 -8.759 -5.878 3.948 1.00 0.42 H new ATOM 0 HA ASN A 171 -8.075 -7.989 3.839 1.00 51.35 H new ATOM 0 HB2 ASN A 171 -10.421 -8.136 5.243 1.00 3.12 H new ATOM 0 HB3 ASN A 171 -10.795 -9.207 3.908 1.00 3.12 H new ATOM 0 HD21 ASN A 171 -7.681 -10.189 6.489 1.00 11.50 H new ATOM 0 HD22 ASN A 171 -8.112 -8.499 6.208 1.00 11.50 H new ATOM 1312 N ARG A 172 -8.828 -7.570 1.160 1.00 43.04 N ATOM 1313 CA ARG A 172 -8.905 -7.921 -0.254 1.00 4.11 C ATOM 1314 C ARG A 172 -7.656 -7.458 -0.998 1.00 22.13 C ATOM 1315 O ARG A 172 -7.267 -6.293 -0.912 1.00 21.10 O ATOM 1316 CB ARG A 172 -10.150 -7.297 -0.888 1.00 24.21 C ATOM 1317 CG ARG A 172 -11.392 -8.165 -0.773 1.00 1.00 C ATOM 1318 CD ARG A 172 -11.554 -9.070 -1.984 1.00 25.30 C ATOM 1319 NE ARG A 172 -11.771 -10.462 -1.602 1.00 71.41 N ATOM 1320 CZ ARG A 172 -12.949 -10.945 -1.220 1.00 43.42 C ATOM 1321 NH1 ARG A 172 -14.010 -10.150 -1.170 1.00 1.22 N ATOM 1322 NH2 ARG A 172 -13.067 -12.224 -0.887 1.00 54.43 N ATOM 0 H ARG A 172 -8.421 -6.653 1.346 1.00 43.04 H new ATOM 0 HA ARG A 172 -8.971 -9.006 -0.331 1.00 4.11 H new ATOM 0 HB2 ARG A 172 -10.345 -6.335 -0.415 1.00 24.21 H new ATOM 0 HB3 ARG A 172 -9.951 -7.100 -1.941 1.00 24.21 H new ATOM 0 HG2 ARG A 172 -11.331 -8.772 0.130 1.00 1.00 H new ATOM 0 HG3 ARG A 172 -12.272 -7.530 -0.671 1.00 1.00 H new ATOM 0 HD2 ARG A 172 -12.395 -8.724 -2.585 1.00 25.30 H new ATOM 0 HD3 ARG A 172 -10.664 -9.000 -2.610 1.00 25.30 H new ATOM 0 HE ARG A 172 -10.975 -11.099 -1.630 1.00 71.41 H new ATOM 0 HH11 ARG A 172 -13.923 -9.166 -1.425 1.00 1.22 H new ATOM 0 HH12 ARG A 172 -14.913 -10.523 -0.877 1.00 1.22 H new ATOM 0 HH21 ARG A 172 -12.253 -12.838 -0.924 1.00 54.43 H new ATOM 0 HH22 ARG A 172 -13.972 -12.593 -0.594 1.00 54.43 H new ATOM 1336 N GLU A 173 -7.032 -8.378 -1.727 1.00 75.33 N ATOM 1337 CA GLU A 173 -5.826 -8.063 -2.484 1.00 70.23 C ATOM 1338 C GLU A 173 -6.115 -7.015 -3.555 1.00 24.43 C ATOM 1339 O GLU A 173 -7.205 -6.978 -4.124 1.00 73.14 O ATOM 1340 CB GLU A 173 -5.260 -9.328 -3.133 1.00 33.44 C ATOM 1341 CG GLU A 173 -3.751 -9.302 -3.304 1.00 30.31 C ATOM 1342 CD GLU A 173 -3.201 -10.607 -3.845 1.00 75.43 C ATOM 1343 OE1 GLU A 173 -3.886 -11.643 -3.705 1.00 22.02 O ATOM 1344 OE2 GLU A 173 -2.088 -10.593 -4.410 1.00 22.33 O ATOM 0 H GLU A 173 -7.341 -9.346 -1.809 1.00 75.33 H new ATOM 0 HA GLU A 173 -5.088 -7.657 -1.792 1.00 70.23 H new ATOM 0 HB2 GLU A 173 -5.533 -10.191 -2.526 1.00 33.44 H new ATOM 0 HB3 GLU A 173 -5.725 -9.465 -4.109 1.00 33.44 H new ATOM 0 HG2 GLU A 173 -3.480 -8.490 -3.979 1.00 30.31 H new ATOM 0 HG3 GLU A 173 -3.284 -9.086 -2.343 1.00 30.31 H new ATOM 1351 N ILE A 174 -5.128 -6.165 -3.823 1.00 34.11 N ATOM 1352 CA ILE A 174 -5.276 -5.117 -4.824 1.00 24.01 C ATOM 1353 C ILE A 174 -4.208 -5.239 -5.907 1.00 54.42 C ATOM 1354 O ILE A 174 -3.018 -5.376 -5.628 1.00 4.22 O ATOM 1355 CB ILE A 174 -5.190 -3.716 -4.190 1.00 44.13 C ATOM 1356 CG1 ILE A 174 -6.321 -3.521 -3.178 1.00 11.44 C ATOM 1357 CG2 ILE A 174 -5.245 -2.643 -5.268 1.00 22.43 C ATOM 1358 CD1 ILE A 174 -7.262 -2.392 -3.534 1.00 74.41 C ATOM 0 H ILE A 174 -4.219 -6.182 -3.361 1.00 34.11 H new ATOM 0 HA ILE A 174 -6.262 -5.244 -5.271 1.00 24.01 H new ATOM 0 HB ILE A 174 -4.239 -3.628 -3.665 1.00 44.13 H new ATOM 0 HG12 ILE A 174 -6.891 -4.447 -3.099 1.00 11.44 H new ATOM 0 HG13 ILE A 174 -5.890 -3.328 -2.196 1.00 11.44 H new ATOM 0 HG21 ILE A 174 -5.183 -1.658 -4.805 1.00 22.43 H new ATOM 0 HG22 ILE A 174 -4.409 -2.774 -5.955 1.00 22.43 H new ATOM 0 HG23 ILE A 174 -6.183 -2.727 -5.818 1.00 22.43 H new ATOM 0 HD11 ILE A 174 -8.038 -2.312 -2.773 1.00 74.41 H new ATOM 0 HD12 ILE A 174 -6.705 -1.456 -3.584 1.00 74.41 H new ATOM 0 HD13 ILE A 174 -7.722 -2.593 -4.502 1.00 74.41 H new ATOM 1370 N PRO A 175 -4.643 -5.185 -7.175 1.00 55.33 N ATOM 1371 CA PRO A 175 -3.742 -5.285 -8.327 1.00 12.25 C ATOM 1372 C PRO A 175 -2.854 -4.053 -8.476 1.00 73.32 C ATOM 1373 O PRO A 175 -3.314 -2.923 -8.315 1.00 71.34 O ATOM 1374 CB PRO A 175 -4.698 -5.402 -9.516 1.00 63.44 C ATOM 1375 CG PRO A 175 -5.956 -4.749 -9.058 1.00 22.34 C ATOM 1376 CD PRO A 175 -6.050 -5.023 -7.582 1.00 53.50 C ATOM 0 HA PRO A 175 -3.052 -6.124 -8.234 1.00 12.25 H new ATOM 0 HB2 PRO A 175 -4.294 -4.907 -10.399 1.00 63.44 H new ATOM 0 HB3 PRO A 175 -4.869 -6.444 -9.785 1.00 63.44 H new ATOM 0 HG2 PRO A 175 -5.934 -3.677 -9.256 1.00 22.34 H new ATOM 0 HG3 PRO A 175 -6.820 -5.153 -9.586 1.00 22.34 H new ATOM 0 HD2 PRO A 175 -6.530 -4.201 -7.050 1.00 53.50 H new ATOM 0 HD3 PRO A 175 -6.634 -5.920 -7.376 1.00 53.50 H new ATOM 1384 N GLU A 176 -1.582 -4.281 -8.784 1.00 24.12 N ATOM 1385 CA GLU A 176 -0.630 -3.189 -8.955 1.00 33.51 C ATOM 1386 C GLU A 176 -0.616 -2.700 -10.400 1.00 35.34 C ATOM 1387 O GLU A 176 -1.437 -3.120 -11.217 1.00 12.11 O ATOM 1388 CB GLU A 176 0.773 -3.637 -8.542 1.00 63.12 C ATOM 1389 CG GLU A 176 1.551 -2.579 -7.778 1.00 11.12 C ATOM 1390 CD GLU A 176 2.834 -2.178 -8.479 1.00 1.24 C ATOM 1391 OE1 GLU A 176 3.812 -2.952 -8.418 1.00 33.01 O ATOM 1392 OE2 GLU A 176 2.861 -1.088 -9.089 1.00 41.12 O ATOM 0 H GLU A 176 -1.186 -5.211 -8.920 1.00 24.12 H new ATOM 0 HA GLU A 176 -0.943 -2.364 -8.315 1.00 33.51 H new ATOM 0 HB2 GLU A 176 0.692 -4.532 -7.925 1.00 63.12 H new ATOM 0 HB3 GLU A 176 1.334 -3.914 -9.435 1.00 63.12 H new ATOM 0 HG2 GLU A 176 0.924 -1.698 -7.645 1.00 11.12 H new ATOM 0 HG3 GLU A 176 1.788 -2.955 -6.783 1.00 11.12 H new ATOM 1399 N LEU A 177 0.320 -1.811 -10.708 1.00 10.54 N ATOM 1400 CA LEU A 177 0.442 -1.263 -12.055 1.00 12.44 C ATOM 1401 C LEU A 177 1.167 -2.238 -12.976 1.00 33.21 C ATOM 1402 O LEU A 177 0.581 -2.771 -13.919 1.00 62.42 O ATOM 1403 CB LEU A 177 1.187 0.073 -12.017 1.00 64.03 C ATOM 1404 CG LEU A 177 1.678 0.605 -13.365 1.00 15.12 C ATOM 1405 CD1 LEU A 177 0.512 0.775 -14.327 1.00 42.11 C ATOM 1406 CD2 LEU A 177 2.416 1.922 -13.181 1.00 5.41 C ATOM 0 H LEU A 177 1.006 -1.453 -10.044 1.00 10.54 H new ATOM 0 HA LEU A 177 -0.562 -1.101 -12.448 1.00 12.44 H new ATOM 0 HB2 LEU A 177 0.530 0.820 -11.571 1.00 64.03 H new ATOM 0 HB3 LEU A 177 2.047 -0.032 -11.355 1.00 64.03 H new ATOM 0 HG LEU A 177 2.371 -0.120 -13.791 1.00 15.12 H new ATOM 0 HD11 LEU A 177 0.879 1.154 -15.281 1.00 42.11 H new ATOM 0 HD12 LEU A 177 0.025 -0.188 -14.483 1.00 42.11 H new ATOM 0 HD13 LEU A 177 -0.205 1.481 -13.908 1.00 42.11 H new ATOM 0 HD21 LEU A 177 2.758 2.286 -14.150 1.00 5.41 H new ATOM 0 HD22 LEU A 177 1.745 2.656 -12.734 1.00 5.41 H new ATOM 0 HD23 LEU A 177 3.274 1.770 -12.527 1.00 5.41 H new ATOM 1418 N THR A 178 2.446 -2.469 -12.695 1.00 51.44 N ATOM 1419 CA THR A 178 3.251 -3.381 -13.497 1.00 72.45 C ATOM 1420 C THR A 178 2.761 -4.818 -13.356 1.00 32.12 C ATOM 1421 O THR A 178 2.447 -5.270 -12.254 1.00 54.40 O ATOM 1422 CB THR A 178 4.738 -3.317 -13.100 1.00 14.15 C ATOM 1423 OG1 THR A 178 5.492 -4.262 -13.867 1.00 1.40 O ATOM 1424 CG2 THR A 178 4.914 -3.605 -11.616 1.00 53.43 C ATOM 0 H THR A 178 2.946 -2.037 -11.918 1.00 51.44 H new ATOM 0 HA THR A 178 3.146 -3.064 -14.535 1.00 72.45 H new ATOM 0 HB THR A 178 5.103 -2.311 -13.305 1.00 14.15 H new ATOM 0 HG1 THR A 178 6.163 -4.688 -13.294 1.00 1.40 H new ATOM 0 HG21 THR A 178 5.972 -3.554 -11.359 1.00 53.43 H new ATOM 0 HG22 THR A 178 4.363 -2.866 -11.034 1.00 53.43 H new ATOM 0 HG23 THR A 178 4.533 -4.601 -11.391 1.00 53.43 H new ATOM 1432 N GLN A 179 2.698 -5.530 -14.476 1.00 22.22 N ATOM 1433 CA GLN A 179 2.247 -6.917 -14.474 1.00 54.42 C ATOM 1434 C GLN A 179 3.355 -7.850 -14.002 1.00 23.42 C ATOM 1435 O GLN A 179 4.050 -7.564 -13.026 1.00 74.44 O ATOM 1436 CB GLN A 179 1.780 -7.325 -15.874 1.00 5.45 C ATOM 1437 CG GLN A 179 2.904 -7.381 -16.895 1.00 51.53 C ATOM 1438 CD GLN A 179 3.294 -8.801 -17.257 1.00 1.41 C ATOM 1439 OE1 GLN A 179 3.026 -9.740 -16.506 1.00 60.33 O ATOM 1440 NE2 GLN A 179 3.930 -8.965 -18.411 1.00 55.12 N ATOM 0 H GLN A 179 2.953 -5.170 -15.396 1.00 22.22 H new ATOM 0 HA GLN A 179 1.410 -7.000 -13.781 1.00 54.42 H new ATOM 0 HB2 GLN A 179 1.301 -8.303 -15.818 1.00 5.45 H new ATOM 0 HB3 GLN A 179 1.024 -6.619 -16.216 1.00 5.45 H new ATOM 0 HG2 GLN A 179 2.597 -6.852 -17.797 1.00 51.53 H new ATOM 0 HG3 GLN A 179 3.775 -6.859 -16.500 1.00 51.53 H new ATOM 0 HE21 GLN A 179 4.131 -8.158 -19.002 1.00 55.12 H new ATOM 0 HE22 GLN A 179 4.217 -9.898 -18.707 1.00 55.12 H new TER 1449 GLN A 179