USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 753 hydrogens (25 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 74 ASN : amide:sc= 0 X(o=-0.37,f=-0.4) USER MOD Set 1.2: A 77 SER OG : rot -30:sc= -0.366 USER MOD Set 2.1: A 41 ASN : amide:sc= 0 K(o=-0.2,f=-1.3) USER MOD Set 2.2: A 44 ASN : amide:sc= -0.203 K(o=-0.2,f=-13!) USER MOD Single : A 1 MET CE :methyl 153:sc= -0.504 (180deg=-0.793) USER MOD Single : A 1 MET N :NH3+ 131:sc= 0.0182 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 151:sc= -0.0818 (180deg=-0.714) USER MOD Single : A 9 LYS NZ :NH3+ -164:sc= -0.228 (180deg=-0.625) USER MOD Single : A 13 TYR OH : rot 139:sc= -1.07 USER MOD Single : A 15 MET CE :methyl 164:sc= -0.0611 (180deg=-0.786) USER MOD Single : A 22 SER OG : rot 180:sc= 0.00703 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot -164:sc= -1.08 USER MOD Single : A 43 MET CE :methyl -111:sc= -1.36 (180deg=-5.19!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl 152:sc= -1.68 (180deg=-2.5) USER MOD Single : A 51 TYR OH : rot 30:sc= 0 USER MOD Single : A 56 MET CE :methyl -157:sc= -1.61 (180deg=-2.07!) USER MOD Single : A 59 SER OG : rot 180:sc= 0.0101 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot -35:sc= 0.176 USER MOD Single : A 64 HIS : no HD1:sc= -0.0273 X(o=-0.027,f=-0.5) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0275 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 79:sc= 0.859 USER MOD Single : A 82 GLN : amide:sc= -0.0308 X(o=-0.031,f=-0.27) USER MOD Single : A 84 LYS NZ :NH3+ 143:sc= -0.6 (180deg=-2.96!) USER MOD Single : A 87 SER OG : rot -27:sc= 0.163 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.140 17.534 1.528 1.00 22.13 N ATOM 2 CA MET A 1 2.812 16.230 0.900 1.00 33.43 C ATOM 3 C MET A 1 1.692 16.415 -0.133 1.00 41.10 C ATOM 4 O MET A 1 0.756 17.188 0.087 1.00 0.14 O ATOM 5 CB MET A 1 2.396 15.203 1.999 1.00 34.41 C ATOM 6 CG MET A 1 1.993 13.817 1.472 1.00 75.03 C ATOM 7 SD MET A 1 1.326 12.731 2.760 1.00 21.21 S ATOM 8 CE MET A 1 0.560 11.439 1.769 1.00 31.32 C ATOM 0 H1 MET A 1 3.159 17.426 2.562 1.00 22.13 H new ATOM 0 H2 MET A 1 4.072 17.854 1.196 1.00 22.13 H new ATOM 0 H3 MET A 1 2.419 18.236 1.266 1.00 22.13 H new ATOM 0 HA MET A 1 3.691 15.843 0.385 1.00 33.43 H new ATOM 0 HB2 MET A 1 3.225 15.083 2.696 1.00 34.41 H new ATOM 0 HB3 MET A 1 1.561 15.617 2.565 1.00 34.41 H new ATOM 0 HG2 MET A 1 1.248 13.937 0.685 1.00 75.03 H new ATOM 0 HG3 MET A 1 2.862 13.341 1.018 1.00 75.03 H new ATOM 0 HE1 MET A 1 0.539 10.509 2.337 1.00 31.32 H new ATOM 0 HE2 MET A 1 -0.459 11.732 1.514 1.00 31.32 H new ATOM 0 HE3 MET A 1 1.135 11.293 0.855 1.00 31.32 H new ATOM 20 N ASP A 2 1.816 15.724 -1.275 1.00 15.03 N ATOM 21 CA ASP A 2 0.747 15.637 -2.291 1.00 51.34 C ATOM 22 C ASP A 2 -0.213 14.470 -1.948 1.00 74.53 C ATOM 23 O ASP A 2 -0.153 13.910 -0.850 1.00 73.13 O ATOM 24 CB ASP A 2 1.379 15.462 -3.697 1.00 12.22 C ATOM 25 CG ASP A 2 2.232 14.195 -3.809 1.00 12.34 C ATOM 26 OD1 ASP A 2 1.661 13.115 -4.047 1.00 71.52 O ATOM 27 OD2 ASP A 2 3.467 14.273 -3.621 1.00 72.43 O ATOM 0 H ASP A 2 2.660 15.208 -1.524 1.00 15.03 H new ATOM 0 HA ASP A 2 0.164 16.558 -2.294 1.00 51.34 H new ATOM 0 HB2 ASP A 2 0.587 15.429 -4.445 1.00 12.22 H new ATOM 0 HB3 ASP A 2 1.996 16.331 -3.924 1.00 12.22 H new ATOM 32 N GLY A 3 -1.099 14.103 -2.889 1.00 22.44 N ATOM 33 CA GLY A 3 -2.053 13.015 -2.666 1.00 34.22 C ATOM 34 C GLY A 3 -1.996 11.949 -3.738 1.00 0.24 C ATOM 35 O GLY A 3 -2.039 10.765 -3.434 1.00 71.02 O ATOM 0 H GLY A 3 -1.171 14.544 -3.806 1.00 22.44 H new ATOM 0 HA2 GLY A 3 -1.854 12.558 -1.696 1.00 34.22 H new ATOM 0 HA3 GLY A 3 -3.061 13.426 -2.624 1.00 34.22 H new ATOM 39 N GLU A 4 -1.904 12.361 -4.999 1.00 34.04 N ATOM 40 CA GLU A 4 -1.971 11.436 -6.154 1.00 71.43 C ATOM 41 C GLU A 4 -0.600 10.874 -6.590 1.00 31.54 C ATOM 42 O GLU A 4 -0.522 9.699 -6.980 1.00 21.20 O ATOM 43 CB GLU A 4 -2.693 12.143 -7.310 1.00 50.51 C ATOM 44 CG GLU A 4 -4.205 12.360 -7.049 1.00 21.00 C ATOM 45 CD GLU A 4 -5.105 11.182 -7.481 1.00 64.11 C ATOM 46 OE1 GLU A 4 -4.879 10.608 -8.565 1.00 24.21 O ATOM 47 OE2 GLU A 4 -6.057 10.831 -6.743 1.00 53.15 O ATOM 0 H GLU A 4 -1.781 13.339 -5.261 1.00 34.04 H new ATOM 0 HA GLU A 4 -2.535 10.557 -5.843 1.00 71.43 H new ATOM 0 HB2 GLU A 4 -2.220 13.109 -7.488 1.00 50.51 H new ATOM 0 HB3 GLU A 4 -2.569 11.555 -8.220 1.00 50.51 H new ATOM 0 HG2 GLU A 4 -4.354 12.544 -5.985 1.00 21.00 H new ATOM 0 HG3 GLU A 4 -4.526 13.258 -7.576 1.00 21.00 H new ATOM 54 N GLU A 5 0.467 11.703 -6.518 1.00 65.21 N ATOM 55 CA GLU A 5 1.826 11.298 -6.972 1.00 52.31 C ATOM 56 C GLU A 5 2.423 10.223 -6.044 1.00 61.00 C ATOM 57 O GLU A 5 3.136 9.326 -6.508 1.00 22.43 O ATOM 58 CB GLU A 5 2.786 12.521 -7.058 1.00 24.25 C ATOM 59 CG GLU A 5 2.288 13.648 -7.975 1.00 35.41 C ATOM 60 CD GLU A 5 3.185 14.896 -7.947 1.00 0.22 C ATOM 61 OE1 GLU A 5 4.225 14.920 -8.647 1.00 12.13 O ATOM 62 OE2 GLU A 5 2.873 15.857 -7.205 1.00 12.22 O ATOM 0 H GLU A 5 0.418 12.654 -6.152 1.00 65.21 H new ATOM 0 HA GLU A 5 1.719 10.876 -7.971 1.00 52.31 H new ATOM 0 HB2 GLU A 5 2.936 12.923 -6.056 1.00 24.25 H new ATOM 0 HB3 GLU A 5 3.759 12.181 -7.414 1.00 24.25 H new ATOM 0 HG2 GLU A 5 2.228 13.275 -8.997 1.00 35.41 H new ATOM 0 HG3 GLU A 5 1.277 13.929 -7.678 1.00 35.41 H new ATOM 69 N VAL A 6 2.109 10.320 -4.736 1.00 63.23 N ATOM 70 CA VAL A 6 2.522 9.306 -3.746 1.00 11.04 C ATOM 71 C VAL A 6 1.874 7.958 -4.069 1.00 73.20 C ATOM 72 O VAL A 6 2.537 6.931 -4.005 1.00 22.11 O ATOM 73 CB VAL A 6 2.211 9.719 -2.245 1.00 21.34 C ATOM 74 CG1 VAL A 6 3.142 10.848 -1.762 1.00 11.41 C ATOM 75 CG2 VAL A 6 0.738 10.120 -2.046 1.00 71.42 C ATOM 0 H VAL A 6 1.570 11.091 -4.341 1.00 63.23 H new ATOM 0 HA VAL A 6 3.606 9.226 -3.823 1.00 11.04 H new ATOM 0 HB VAL A 6 2.400 8.834 -1.638 1.00 21.34 H new ATOM 0 HG11 VAL A 6 2.899 11.104 -0.731 1.00 11.41 H new ATOM 0 HG12 VAL A 6 4.178 10.514 -1.819 1.00 11.41 H new ATOM 0 HG13 VAL A 6 3.008 11.726 -2.394 1.00 11.41 H new ATOM 0 HG21 VAL A 6 0.573 10.394 -1.004 1.00 71.42 H new ATOM 0 HG22 VAL A 6 0.503 10.970 -2.687 1.00 71.42 H new ATOM 0 HG23 VAL A 6 0.094 9.280 -2.306 1.00 71.42 H new ATOM 85 N LYS A 7 0.593 8.000 -4.484 1.00 21.55 N ATOM 86 CA LYS A 7 -0.199 6.789 -4.748 1.00 60.24 C ATOM 87 C LYS A 7 0.294 6.042 -5.997 1.00 61.41 C ATOM 88 O LYS A 7 0.562 4.849 -5.930 1.00 65.35 O ATOM 89 CB LYS A 7 -1.692 7.142 -4.894 1.00 33.12 C ATOM 90 CG LYS A 7 -2.355 7.726 -3.627 1.00 61.11 C ATOM 91 CD LYS A 7 -3.868 8.083 -3.811 1.00 74.34 C ATOM 92 CE LYS A 7 -4.265 8.506 -5.242 1.00 61.32 C ATOM 93 NZ LYS A 7 -4.556 7.353 -6.147 1.00 2.43 N ATOM 0 H LYS A 7 0.084 8.869 -4.644 1.00 21.55 H new ATOM 0 HA LYS A 7 -0.071 6.125 -3.894 1.00 60.24 H new ATOM 0 HB2 LYS A 7 -1.802 7.860 -5.706 1.00 33.12 H new ATOM 0 HB3 LYS A 7 -2.235 6.243 -5.188 1.00 33.12 H new ATOM 0 HG2 LYS A 7 -2.258 7.007 -2.813 1.00 61.11 H new ATOM 0 HG3 LYS A 7 -1.814 8.623 -3.326 1.00 61.11 H new ATOM 0 HD2 LYS A 7 -4.468 7.220 -3.523 1.00 74.34 H new ATOM 0 HD3 LYS A 7 -4.122 8.891 -3.125 1.00 74.34 H new ATOM 0 HE2 LYS A 7 -5.144 9.148 -5.191 1.00 61.32 H new ATOM 0 HE3 LYS A 7 -3.460 9.101 -5.673 1.00 61.32 H new ATOM 0 HZ1 LYS A 7 -5.248 7.643 -6.867 1.00 2.43 H new ATOM 0 HZ2 LYS A 7 -3.678 7.048 -6.614 1.00 2.43 H new ATOM 0 HZ3 LYS A 7 -4.945 6.565 -5.591 1.00 2.43 H new ATOM 107 N GLU A 8 0.421 6.751 -7.132 1.00 42.21 N ATOM 108 CA GLU A 8 0.910 6.136 -8.393 1.00 12.31 C ATOM 109 C GLU A 8 2.327 5.541 -8.212 1.00 42.14 C ATOM 110 O GLU A 8 2.691 4.581 -8.878 1.00 52.20 O ATOM 111 CB GLU A 8 0.911 7.154 -9.559 1.00 35.12 C ATOM 112 CG GLU A 8 1.788 8.391 -9.311 1.00 4.24 C ATOM 113 CD GLU A 8 2.025 9.247 -10.563 1.00 1.12 C ATOM 114 OE1 GLU A 8 1.115 10.001 -10.960 1.00 31.14 O ATOM 115 OE2 GLU A 8 3.119 9.154 -11.169 1.00 52.22 O ATOM 0 H GLU A 8 0.196 7.743 -7.209 1.00 42.21 H new ATOM 0 HA GLU A 8 0.221 5.329 -8.642 1.00 12.31 H new ATOM 0 HB2 GLU A 8 1.255 6.653 -10.464 1.00 35.12 H new ATOM 0 HB3 GLU A 8 -0.113 7.479 -9.744 1.00 35.12 H new ATOM 0 HG2 GLU A 8 1.320 9.008 -8.544 1.00 4.24 H new ATOM 0 HG3 GLU A 8 2.751 8.068 -8.916 1.00 4.24 H new ATOM 122 N LYS A 9 3.098 6.124 -7.288 1.00 2.21 N ATOM 123 CA LYS A 9 4.417 5.645 -6.915 1.00 32.13 C ATOM 124 C LYS A 9 4.325 4.324 -6.140 1.00 50.00 C ATOM 125 O LYS A 9 5.130 3.417 -6.372 1.00 24.33 O ATOM 126 CB LYS A 9 5.096 6.741 -6.090 1.00 34.23 C ATOM 127 CG LYS A 9 6.387 6.334 -5.385 1.00 74.52 C ATOM 128 CD LYS A 9 7.117 7.550 -4.770 1.00 1.21 C ATOM 129 CE LYS A 9 6.216 8.389 -3.843 1.00 75.40 C ATOM 130 NZ LYS A 9 6.851 9.675 -3.465 1.00 60.23 N ATOM 0 H LYS A 9 2.810 6.957 -6.774 1.00 2.21 H new ATOM 0 HA LYS A 9 5.010 5.436 -7.805 1.00 32.13 H new ATOM 0 HB2 LYS A 9 5.312 7.583 -6.747 1.00 34.23 H new ATOM 0 HB3 LYS A 9 4.390 7.095 -5.339 1.00 34.23 H new ATOM 0 HG2 LYS A 9 6.160 5.612 -4.600 1.00 74.52 H new ATOM 0 HG3 LYS A 9 7.047 5.836 -6.095 1.00 74.52 H new ATOM 0 HD2 LYS A 9 7.982 7.200 -4.207 1.00 1.21 H new ATOM 0 HD3 LYS A 9 7.494 8.184 -5.572 1.00 1.21 H new ATOM 0 HE2 LYS A 9 5.267 8.586 -4.341 1.00 75.40 H new ATOM 0 HE3 LYS A 9 5.990 7.818 -2.943 1.00 75.40 H new ATOM 0 HZ1 LYS A 9 6.354 10.080 -2.646 1.00 60.23 H new ATOM 0 HZ2 LYS A 9 7.848 9.511 -3.218 1.00 60.23 H new ATOM 0 HZ3 LYS A 9 6.797 10.337 -4.265 1.00 60.23 H new ATOM 144 N ILE A 10 3.328 4.225 -5.241 1.00 52.23 N ATOM 145 CA ILE A 10 3.040 2.969 -4.525 1.00 11.54 C ATOM 146 C ILE A 10 2.687 1.884 -5.557 1.00 4.01 C ATOM 147 O ILE A 10 3.165 0.761 -5.477 1.00 32.31 O ATOM 148 CB ILE A 10 1.842 3.094 -3.505 1.00 30.53 C ATOM 149 CG1 ILE A 10 2.032 4.271 -2.505 1.00 33.42 C ATOM 150 CG2 ILE A 10 1.608 1.767 -2.738 1.00 24.23 C ATOM 151 CD1 ILE A 10 3.297 4.212 -1.671 1.00 14.52 C ATOM 0 H ILE A 10 2.710 4.998 -4.994 1.00 52.23 H new ATOM 0 HA ILE A 10 3.931 2.715 -3.951 1.00 11.54 H new ATOM 0 HB ILE A 10 0.956 3.311 -4.101 1.00 30.53 H new ATOM 0 HG12 ILE A 10 2.028 5.206 -3.065 1.00 33.42 H new ATOM 0 HG13 ILE A 10 1.174 4.298 -1.833 1.00 33.42 H new ATOM 0 HG21 ILE A 10 0.776 1.889 -2.045 1.00 24.23 H new ATOM 0 HG22 ILE A 10 1.375 0.973 -3.447 1.00 24.23 H new ATOM 0 HG23 ILE A 10 2.508 1.505 -2.182 1.00 24.23 H new ATOM 0 HD11 ILE A 10 3.336 5.076 -1.007 1.00 14.52 H new ATOM 0 HD12 ILE A 10 3.299 3.298 -1.078 1.00 14.52 H new ATOM 0 HD13 ILE A 10 4.167 4.220 -2.328 1.00 14.52 H new ATOM 163 N ARG A 11 1.881 2.291 -6.551 1.00 75.34 N ATOM 164 CA ARG A 11 1.401 1.418 -7.634 1.00 71.31 C ATOM 165 C ARG A 11 2.546 0.820 -8.463 1.00 41.51 C ATOM 166 O ARG A 11 2.555 -0.387 -8.722 1.00 74.42 O ATOM 167 CB ARG A 11 0.405 2.194 -8.536 1.00 54.11 C ATOM 168 CG ARG A 11 -0.973 2.492 -7.902 1.00 51.14 C ATOM 169 CD ARG A 11 -1.807 1.237 -7.613 1.00 22.14 C ATOM 170 NE ARG A 11 -1.312 0.480 -6.456 1.00 53.34 N ATOM 171 CZ ARG A 11 -1.904 -0.588 -5.915 1.00 34.14 C ATOM 172 NH1 ARG A 11 -3.050 -1.067 -6.396 1.00 21.23 N ATOM 173 NH2 ARG A 11 -1.357 -1.154 -4.865 1.00 72.42 N ATOM 0 H ARG A 11 1.540 3.249 -6.626 1.00 75.34 H new ATOM 0 HA ARG A 11 0.886 0.575 -7.173 1.00 71.31 H new ATOM 0 HB2 ARG A 11 0.864 3.139 -8.825 1.00 54.11 H new ATOM 0 HB3 ARG A 11 0.249 1.622 -9.451 1.00 54.11 H new ATOM 0 HG2 ARG A 11 -0.823 3.040 -6.971 1.00 51.14 H new ATOM 0 HG3 ARG A 11 -1.536 3.145 -8.569 1.00 51.14 H new ATOM 0 HD2 ARG A 11 -2.843 1.527 -7.436 1.00 22.14 H new ATOM 0 HD3 ARG A 11 -1.803 0.593 -8.492 1.00 22.14 H new ATOM 0 HE ARG A 11 -0.442 0.797 -6.029 1.00 53.34 H new ATOM 0 HH11 ARG A 11 -3.495 -0.617 -7.195 1.00 21.23 H new ATOM 0 HH12 ARG A 11 -3.482 -1.884 -5.965 1.00 21.23 H new ATOM 0 HH21 ARG A 11 -0.493 -0.777 -4.475 1.00 72.42 H new ATOM 0 HH22 ARG A 11 -1.796 -1.970 -4.439 1.00 72.42 H new ATOM 187 N ARG A 12 3.505 1.667 -8.856 1.00 21.32 N ATOM 188 CA ARG A 12 4.706 1.229 -9.607 1.00 75.34 C ATOM 189 C ARG A 12 5.554 0.284 -8.744 1.00 51.14 C ATOM 190 O ARG A 12 5.999 -0.754 -9.215 1.00 1.02 O ATOM 191 CB ARG A 12 5.546 2.452 -10.081 1.00 11.34 C ATOM 192 CG ARG A 12 5.163 3.015 -11.473 1.00 31.11 C ATOM 193 CD ARG A 12 3.687 3.430 -11.593 1.00 12.33 C ATOM 194 NE ARG A 12 3.418 4.174 -12.826 1.00 41.41 N ATOM 195 CZ ARG A 12 3.232 5.498 -12.906 1.00 72.43 C ATOM 196 NH1 ARG A 12 3.280 6.264 -11.816 1.00 3.34 N ATOM 197 NH2 ARG A 12 3.013 6.050 -14.082 1.00 11.34 N ATOM 0 H ARG A 12 3.479 2.669 -8.668 1.00 21.32 H new ATOM 0 HA ARG A 12 4.379 0.689 -10.495 1.00 75.34 H new ATOM 0 HB2 ARG A 12 5.446 3.249 -9.344 1.00 11.34 H new ATOM 0 HB3 ARG A 12 6.597 2.165 -10.099 1.00 11.34 H new ATOM 0 HG2 ARG A 12 5.792 3.878 -11.690 1.00 31.11 H new ATOM 0 HG3 ARG A 12 5.381 2.263 -12.231 1.00 31.11 H new ATOM 0 HD2 ARG A 12 3.058 2.540 -11.563 1.00 12.33 H new ATOM 0 HD3 ARG A 12 3.413 4.043 -10.734 1.00 12.33 H new ATOM 0 HE ARG A 12 3.368 3.640 -13.694 1.00 41.41 H new ATOM 0 HH11 ARG A 12 3.460 5.843 -10.905 1.00 3.34 H new ATOM 0 HH12 ARG A 12 3.136 7.271 -11.894 1.00 3.34 H new ATOM 0 HH21 ARG A 12 2.986 5.470 -14.921 1.00 11.34 H new ATOM 0 HH22 ARG A 12 2.870 7.057 -14.154 1.00 11.34 H new ATOM 211 N TYR A 13 5.713 0.653 -7.468 1.00 45.24 N ATOM 212 CA TYR A 13 6.461 -0.151 -6.473 1.00 23.02 C ATOM 213 C TYR A 13 5.860 -1.566 -6.330 1.00 12.13 C ATOM 214 O TYR A 13 6.595 -2.549 -6.202 1.00 51.53 O ATOM 215 CB TYR A 13 6.485 0.598 -5.113 1.00 44.03 C ATOM 216 CG TYR A 13 7.182 -0.164 -3.967 1.00 12.31 C ATOM 217 CD1 TYR A 13 8.558 -0.404 -4.000 1.00 41.42 C ATOM 218 CD2 TYR A 13 6.468 -0.635 -2.861 1.00 23.34 C ATOM 219 CE1 TYR A 13 9.189 -1.079 -2.981 1.00 11.22 C ATOM 220 CE2 TYR A 13 7.099 -1.312 -1.842 1.00 1.23 C ATOM 221 CZ TYR A 13 8.455 -1.530 -1.906 1.00 42.40 C ATOM 222 OH TYR A 13 9.084 -2.198 -0.886 1.00 71.24 O ATOM 0 H TYR A 13 5.329 1.518 -7.087 1.00 45.24 H new ATOM 0 HA TYR A 13 7.487 -0.278 -6.820 1.00 23.02 H new ATOM 0 HB2 TYR A 13 6.986 1.556 -5.251 1.00 44.03 H new ATOM 0 HB3 TYR A 13 5.459 0.815 -4.815 1.00 44.03 H new ATOM 0 HD1 TYR A 13 9.137 -0.053 -4.841 1.00 41.42 H new ATOM 0 HD2 TYR A 13 5.403 -0.465 -2.805 1.00 23.34 H new ATOM 0 HE1 TYR A 13 10.254 -1.254 -3.023 1.00 11.22 H new ATOM 0 HE2 TYR A 13 6.531 -1.670 -0.996 1.00 1.23 H new ATOM 0 HH TYR A 13 8.720 -1.900 -0.026 1.00 71.24 H new ATOM 232 N ILE A 14 4.521 -1.648 -6.393 1.00 32.33 N ATOM 233 CA ILE A 14 3.795 -2.921 -6.332 1.00 51.51 C ATOM 234 C ILE A 14 4.154 -3.791 -7.549 1.00 60.24 C ATOM 235 O ILE A 14 4.582 -4.918 -7.384 1.00 32.24 O ATOM 236 CB ILE A 14 2.238 -2.695 -6.213 1.00 71.24 C ATOM 237 CG1 ILE A 14 1.875 -1.996 -4.863 1.00 15.02 C ATOM 238 CG2 ILE A 14 1.446 -4.011 -6.358 1.00 3.13 C ATOM 239 CD1 ILE A 14 2.228 -2.799 -3.619 1.00 54.04 C ATOM 0 H ILE A 14 3.915 -0.833 -6.488 1.00 32.33 H new ATOM 0 HA ILE A 14 4.103 -3.451 -5.431 1.00 51.51 H new ATOM 0 HB ILE A 14 1.951 -2.043 -7.038 1.00 71.24 H new ATOM 0 HG12 ILE A 14 2.388 -1.035 -4.817 1.00 15.02 H new ATOM 0 HG13 ILE A 14 0.805 -1.787 -4.853 1.00 15.02 H new ATOM 0 HG21 ILE A 14 0.379 -3.805 -6.269 1.00 3.13 H new ATOM 0 HG22 ILE A 14 1.650 -4.453 -7.333 1.00 3.13 H new ATOM 0 HG23 ILE A 14 1.748 -4.706 -5.574 1.00 3.13 H new ATOM 0 HD11 ILE A 14 1.941 -2.238 -2.730 1.00 54.04 H new ATOM 0 HD12 ILE A 14 1.695 -3.749 -3.636 1.00 54.04 H new ATOM 0 HD13 ILE A 14 3.302 -2.986 -3.599 1.00 54.04 H new ATOM 251 N MET A 15 4.037 -3.229 -8.756 1.00 1.45 N ATOM 252 CA MET A 15 4.345 -3.963 -10.011 1.00 4.54 C ATOM 253 C MET A 15 5.805 -4.467 -10.026 1.00 44.13 C ATOM 254 O MET A 15 6.060 -5.668 -10.148 1.00 60.23 O ATOM 255 CB MET A 15 4.109 -3.041 -11.247 1.00 63.35 C ATOM 256 CG MET A 15 2.667 -2.538 -11.449 1.00 20.34 C ATOM 257 SD MET A 15 1.698 -3.542 -12.607 1.00 31.22 S ATOM 258 CE MET A 15 1.451 -5.084 -11.740 1.00 64.04 C ATOM 0 H MET A 15 3.731 -2.267 -8.902 1.00 1.45 H new ATOM 0 HA MET A 15 3.679 -4.824 -10.059 1.00 4.54 H new ATOM 0 HB2 MET A 15 4.766 -2.175 -11.160 1.00 63.35 H new ATOM 0 HB3 MET A 15 4.412 -3.583 -12.143 1.00 63.35 H new ATOM 0 HG2 MET A 15 2.159 -2.521 -10.485 1.00 20.34 H new ATOM 0 HG3 MET A 15 2.698 -1.510 -11.811 1.00 20.34 H new ATOM 0 HE1 MET A 15 0.651 -5.648 -12.221 1.00 64.04 H new ATOM 0 HE2 MET A 15 2.372 -5.667 -11.765 1.00 64.04 H new ATOM 0 HE3 MET A 15 1.179 -4.880 -10.704 1.00 64.04 H new ATOM 268 N GLU A 16 6.736 -3.529 -9.841 1.00 35.43 N ATOM 269 CA GLU A 16 8.173 -3.751 -10.080 1.00 14.52 C ATOM 270 C GLU A 16 8.796 -4.679 -9.025 1.00 51.31 C ATOM 271 O GLU A 16 9.489 -5.639 -9.369 1.00 45.24 O ATOM 272 CB GLU A 16 8.916 -2.384 -10.118 1.00 41.43 C ATOM 273 CG GLU A 16 8.384 -1.423 -11.190 1.00 23.33 C ATOM 274 CD GLU A 16 9.044 -0.032 -11.175 1.00 3.13 C ATOM 275 OE1 GLU A 16 8.830 0.731 -10.207 1.00 32.13 O ATOM 276 OE2 GLU A 16 9.776 0.306 -12.131 1.00 12.12 O ATOM 0 H GLU A 16 6.518 -2.586 -9.519 1.00 35.43 H new ATOM 0 HA GLU A 16 8.281 -4.248 -11.044 1.00 14.52 H new ATOM 0 HB2 GLU A 16 8.832 -1.907 -9.141 1.00 41.43 H new ATOM 0 HB3 GLU A 16 9.977 -2.562 -10.296 1.00 41.43 H new ATOM 0 HG2 GLU A 16 8.533 -1.873 -12.172 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.309 -1.304 -11.054 1.00 23.33 H new ATOM 283 N ASP A 17 8.540 -4.387 -7.747 1.00 55.15 N ATOM 284 CA ASP A 17 9.162 -5.113 -6.623 1.00 75.35 C ATOM 285 C ASP A 17 8.299 -6.302 -6.198 1.00 23.21 C ATOM 286 O ASP A 17 8.786 -7.433 -6.143 1.00 42.04 O ATOM 287 CB ASP A 17 9.404 -4.152 -5.431 1.00 54.32 C ATOM 288 CG ASP A 17 10.359 -2.996 -5.787 1.00 25.55 C ATOM 289 OD1 ASP A 17 9.980 -2.120 -6.594 1.00 55.34 O ATOM 290 OD2 ASP A 17 11.499 -2.961 -5.277 1.00 15.11 O ATOM 0 H ASP A 17 7.901 -3.647 -7.458 1.00 55.15 H new ATOM 0 HA ASP A 17 10.125 -5.501 -6.954 1.00 75.35 H new ATOM 0 HB2 ASP A 17 8.450 -3.742 -5.100 1.00 54.32 H new ATOM 0 HB3 ASP A 17 9.816 -4.714 -4.593 1.00 54.32 H new ATOM 295 N LEU A 18 7.004 -6.044 -5.926 1.00 71.43 N ATOM 296 CA LEU A 18 6.090 -7.063 -5.348 1.00 43.01 C ATOM 297 C LEU A 18 5.721 -8.156 -6.369 1.00 63.33 C ATOM 298 O LEU A 18 5.844 -9.349 -6.064 1.00 51.22 O ATOM 299 CB LEU A 18 4.820 -6.399 -4.731 1.00 74.43 C ATOM 300 CG LEU A 18 5.035 -5.626 -3.384 1.00 73.42 C ATOM 301 CD1 LEU A 18 5.658 -6.546 -2.323 1.00 74.45 C ATOM 302 CD2 LEU A 18 5.875 -4.333 -3.544 1.00 54.45 C ATOM 0 H LEU A 18 6.563 -5.140 -6.096 1.00 71.43 H new ATOM 0 HA LEU A 18 6.629 -7.558 -4.540 1.00 43.01 H new ATOM 0 HB2 LEU A 18 4.405 -5.706 -5.463 1.00 74.43 H new ATOM 0 HB3 LEU A 18 4.072 -7.175 -4.567 1.00 74.43 H new ATOM 0 HG LEU A 18 4.046 -5.311 -3.052 1.00 73.42 H new ATOM 0 HD11 LEU A 18 5.799 -5.990 -1.396 1.00 74.45 H new ATOM 0 HD12 LEU A 18 4.996 -7.392 -2.141 1.00 74.45 H new ATOM 0 HD13 LEU A 18 6.622 -6.910 -2.678 1.00 74.45 H new ATOM 0 HD21 LEU A 18 5.985 -3.848 -2.574 1.00 54.45 H new ATOM 0 HD22 LEU A 18 6.860 -4.585 -3.937 1.00 54.45 H new ATOM 0 HD23 LEU A 18 5.372 -3.655 -4.233 1.00 54.45 H new ATOM 314 N ILE A 19 5.279 -7.757 -7.574 1.00 32.45 N ATOM 315 CA ILE A 19 5.001 -8.716 -8.672 1.00 1.32 C ATOM 316 C ILE A 19 6.340 -9.259 -9.227 1.00 13.23 C ATOM 317 O ILE A 19 6.454 -10.450 -9.557 1.00 33.01 O ATOM 318 CB ILE A 19 4.109 -8.092 -9.842 1.00 31.04 C ATOM 319 CG1 ILE A 19 2.615 -7.877 -9.418 1.00 12.13 C ATOM 320 CG2 ILE A 19 4.138 -8.969 -11.112 1.00 2.24 C ATOM 321 CD1 ILE A 19 2.374 -6.926 -8.276 1.00 41.43 C ATOM 0 H ILE A 19 5.105 -6.782 -7.818 1.00 32.45 H new ATOM 0 HA ILE A 19 4.412 -9.533 -8.254 1.00 1.32 H new ATOM 0 HB ILE A 19 4.554 -7.120 -10.055 1.00 31.04 H new ATOM 0 HG12 ILE A 19 2.062 -7.516 -10.285 1.00 12.13 H new ATOM 0 HG13 ILE A 19 2.193 -8.846 -9.151 1.00 12.13 H new ATOM 0 HG21 ILE A 19 3.520 -8.511 -11.884 1.00 2.24 H new ATOM 0 HG22 ILE A 19 5.163 -9.055 -11.472 1.00 2.24 H new ATOM 0 HG23 ILE A 19 3.751 -9.961 -10.878 1.00 2.24 H new ATOM 0 HD11 ILE A 19 1.304 -6.861 -8.076 1.00 41.43 H new ATOM 0 HD12 ILE A 19 2.888 -7.289 -7.386 1.00 41.43 H new ATOM 0 HD13 ILE A 19 2.755 -5.939 -8.538 1.00 41.43 H new ATOM 333 N GLY A 20 7.361 -8.386 -9.264 1.00 63.34 N ATOM 334 CA GLY A 20 8.703 -8.754 -9.722 1.00 33.21 C ATOM 335 C GLY A 20 8.933 -8.446 -11.198 1.00 24.44 C ATOM 336 O GLY A 20 8.279 -7.543 -11.740 1.00 55.41 O ATOM 0 H GLY A 20 7.276 -7.411 -8.978 1.00 63.34 H new ATOM 0 HA2 GLY A 20 9.444 -8.221 -9.125 1.00 33.21 H new ATOM 0 HA3 GLY A 20 8.861 -9.819 -9.550 1.00 33.21 H new ATOM 340 N PRO A 21 9.865 -9.194 -11.885 1.00 60.11 N ATOM 341 CA PRO A 21 10.162 -9.001 -13.334 1.00 21.25 C ATOM 342 C PRO A 21 8.985 -9.398 -14.252 1.00 5.55 C ATOM 343 O PRO A 21 8.989 -9.100 -15.450 1.00 32.53 O ATOM 344 CB PRO A 21 11.405 -9.902 -13.563 1.00 24.14 C ATOM 345 CG PRO A 21 11.349 -10.943 -12.486 1.00 1.32 C ATOM 346 CD PRO A 21 10.711 -10.271 -11.290 1.00 33.32 C ATOM 0 HA PRO A 21 10.336 -7.954 -13.583 1.00 21.25 H new ATOM 0 HB2 PRO A 21 11.381 -10.359 -14.552 1.00 24.14 H new ATOM 0 HB3 PRO A 21 12.326 -9.323 -13.501 1.00 24.14 H new ATOM 0 HG2 PRO A 21 10.765 -11.805 -12.807 1.00 1.32 H new ATOM 0 HG3 PRO A 21 12.347 -11.307 -12.243 1.00 1.32 H new ATOM 0 HD2 PRO A 21 10.112 -10.974 -10.710 1.00 33.32 H new ATOM 0 HD3 PRO A 21 11.463 -9.861 -10.616 1.00 33.32 H new ATOM 354 N SER A 22 7.966 -10.042 -13.668 1.00 24.45 N ATOM 355 CA SER A 22 6.724 -10.418 -14.367 1.00 73.42 C ATOM 356 C SER A 22 5.686 -9.267 -14.330 1.00 23.14 C ATOM 357 O SER A 22 4.489 -9.498 -14.562 1.00 35.00 O ATOM 358 CB SER A 22 6.158 -11.693 -13.702 1.00 63.50 C ATOM 359 OG SER A 22 6.015 -11.516 -12.297 1.00 64.14 O ATOM 0 H SER A 22 7.978 -10.321 -12.687 1.00 24.45 H new ATOM 0 HA SER A 22 6.942 -10.613 -15.417 1.00 73.42 H new ATOM 0 HB2 SER A 22 5.191 -11.938 -14.141 1.00 63.50 H new ATOM 0 HB3 SER A 22 6.821 -12.535 -13.900 1.00 63.50 H new ATOM 0 HG SER A 22 5.654 -12.336 -11.899 1.00 64.14 H new ATOM 365 N ALA A 23 6.166 -8.030 -14.053 1.00 0.32 N ATOM 366 CA ALA A 23 5.320 -6.844 -13.848 1.00 14.54 C ATOM 367 C ALA A 23 4.475 -6.508 -15.084 1.00 53.41 C ATOM 368 O ALA A 23 4.947 -5.855 -16.020 1.00 21.21 O ATOM 369 CB ALA A 23 6.173 -5.647 -13.440 1.00 2.11 C ATOM 0 H ALA A 23 7.163 -7.833 -13.966 1.00 0.32 H new ATOM 0 HA ALA A 23 4.625 -7.079 -13.042 1.00 14.54 H new ATOM 0 HB1 ALA A 23 5.533 -4.777 -13.292 1.00 2.11 H new ATOM 0 HB2 ALA A 23 6.698 -5.874 -12.512 1.00 2.11 H new ATOM 0 HB3 ALA A 23 6.899 -5.434 -14.224 1.00 2.11 H new ATOM 375 N LYS A 24 3.237 -7.010 -15.082 1.00 64.31 N ATOM 376 CA LYS A 24 2.246 -6.720 -16.109 1.00 24.53 C ATOM 377 C LYS A 24 1.383 -5.552 -15.642 1.00 1.01 C ATOM 378 O LYS A 24 0.499 -5.717 -14.796 1.00 13.31 O ATOM 379 CB LYS A 24 1.374 -7.951 -16.411 1.00 41.11 C ATOM 380 CG LYS A 24 2.127 -9.149 -17.020 1.00 74.13 C ATOM 381 CD LYS A 24 1.162 -10.266 -17.462 1.00 3.54 C ATOM 382 CE LYS A 24 0.285 -10.796 -16.311 1.00 23.13 C ATOM 383 NZ LYS A 24 -0.869 -11.584 -16.816 1.00 12.24 N ATOM 0 H LYS A 24 2.895 -7.638 -14.354 1.00 64.31 H new ATOM 0 HA LYS A 24 2.759 -6.455 -17.034 1.00 24.53 H new ATOM 0 HB2 LYS A 24 0.895 -8.274 -15.487 1.00 41.11 H new ATOM 0 HB3 LYS A 24 0.579 -7.655 -17.095 1.00 41.11 H new ATOM 0 HG2 LYS A 24 2.712 -8.814 -17.877 1.00 74.13 H new ATOM 0 HG3 LYS A 24 2.832 -9.545 -16.289 1.00 74.13 H new ATOM 0 HD2 LYS A 24 0.519 -9.889 -18.257 1.00 3.54 H new ATOM 0 HD3 LYS A 24 1.738 -11.091 -17.882 1.00 3.54 H new ATOM 0 HE2 LYS A 24 0.889 -11.418 -15.650 1.00 23.13 H new ATOM 0 HE3 LYS A 24 -0.079 -9.959 -15.716 1.00 23.13 H new ATOM 0 HZ1 LYS A 24 -1.436 -11.924 -16.013 1.00 12.24 H new ATOM 0 HZ2 LYS A 24 -1.459 -10.983 -17.426 1.00 12.24 H new ATOM 0 HZ3 LYS A 24 -0.521 -12.397 -17.363 1.00 12.24 H new ATOM 397 N GLU A 25 1.685 -4.388 -16.203 1.00 72.14 N ATOM 398 CA GLU A 25 0.994 -3.101 -15.967 1.00 34.44 C ATOM 399 C GLU A 25 -0.532 -3.154 -16.209 1.00 52.42 C ATOM 400 O GLU A 25 -1.255 -2.252 -15.777 1.00 22.32 O ATOM 401 CB GLU A 25 1.648 -2.057 -16.904 1.00 53.25 C ATOM 402 CG GLU A 25 1.632 -2.465 -18.395 1.00 62.31 C ATOM 403 CD GLU A 25 2.559 -1.610 -19.275 1.00 54.01 C ATOM 404 OE1 GLU A 25 2.245 -0.422 -19.511 1.00 23.23 O ATOM 405 OE2 GLU A 25 3.619 -2.111 -19.714 1.00 41.34 O ATOM 0 H GLU A 25 2.453 -4.298 -16.868 1.00 72.14 H new ATOM 0 HA GLU A 25 1.105 -2.839 -14.915 1.00 34.44 H new ATOM 0 HB2 GLU A 25 1.129 -1.105 -16.791 1.00 53.25 H new ATOM 0 HB3 GLU A 25 2.680 -1.897 -16.591 1.00 53.25 H new ATOM 0 HG2 GLU A 25 1.926 -3.511 -18.480 1.00 62.31 H new ATOM 0 HG3 GLU A 25 0.613 -2.389 -18.773 1.00 62.31 H new ATOM 412 N ASP A 26 -1.007 -4.214 -16.895 1.00 15.13 N ATOM 413 CA ASP A 26 -2.432 -4.389 -17.233 1.00 23.23 C ATOM 414 C ASP A 26 -3.287 -4.517 -15.962 1.00 60.13 C ATOM 415 O ASP A 26 -4.445 -4.108 -15.932 1.00 41.13 O ATOM 416 CB ASP A 26 -2.663 -5.653 -18.104 1.00 2.23 C ATOM 417 CG ASP A 26 -1.662 -5.798 -19.251 1.00 3.31 C ATOM 418 OD1 ASP A 26 -0.567 -6.360 -19.007 1.00 4.14 O ATOM 419 OD2 ASP A 26 -1.957 -5.357 -20.381 1.00 64.32 O ATOM 0 H ASP A 26 -0.412 -4.972 -17.230 1.00 15.13 H new ATOM 0 HA ASP A 26 -2.729 -3.504 -17.795 1.00 23.23 H new ATOM 0 HB2 ASP A 26 -2.606 -6.537 -17.469 1.00 2.23 H new ATOM 0 HB3 ASP A 26 -3.672 -5.621 -18.515 1.00 2.23 H new ATOM 424 N GLU A 27 -2.669 -5.087 -14.916 1.00 0.44 N ATOM 425 CA GLU A 27 -3.334 -5.384 -13.627 1.00 21.44 C ATOM 426 C GLU A 27 -3.449 -4.130 -12.738 1.00 10.13 C ATOM 427 O GLU A 27 -4.220 -4.104 -11.774 1.00 31.21 O ATOM 428 CB GLU A 27 -2.529 -6.483 -12.882 1.00 21.32 C ATOM 429 CG GLU A 27 -2.194 -7.717 -13.735 1.00 23.14 C ATOM 430 CD GLU A 27 -3.422 -8.335 -14.428 1.00 33.20 C ATOM 431 OE1 GLU A 27 -4.165 -9.102 -13.781 1.00 61.12 O ATOM 432 OE2 GLU A 27 -3.650 -8.053 -15.627 1.00 11.41 O ATOM 0 H GLU A 27 -1.686 -5.359 -14.936 1.00 0.44 H new ATOM 0 HA GLU A 27 -4.346 -5.731 -13.838 1.00 21.44 H new ATOM 0 HB2 GLU A 27 -1.600 -6.048 -12.514 1.00 21.32 H new ATOM 0 HB3 GLU A 27 -3.098 -6.804 -12.010 1.00 21.32 H new ATOM 0 HG2 GLU A 27 -1.461 -7.438 -14.492 1.00 23.14 H new ATOM 0 HG3 GLU A 27 -1.726 -8.471 -13.102 1.00 23.14 H new ATOM 439 N LEU A 28 -2.677 -3.107 -13.093 1.00 43.24 N ATOM 440 CA LEU A 28 -2.430 -1.947 -12.245 1.00 20.41 C ATOM 441 C LEU A 28 -3.578 -0.910 -12.286 1.00 60.32 C ATOM 442 O LEU A 28 -3.930 -0.397 -13.348 1.00 34.11 O ATOM 443 CB LEU A 28 -1.061 -1.332 -12.660 1.00 52.11 C ATOM 444 CG LEU A 28 -0.373 -0.348 -11.655 1.00 73.13 C ATOM 445 CD1 LEU A 28 -0.968 1.085 -11.717 1.00 10.44 C ATOM 446 CD2 LEU A 28 -0.429 -0.931 -10.214 1.00 4.44 C ATOM 0 H LEU A 28 -2.198 -3.061 -13.992 1.00 43.24 H new ATOM 0 HA LEU A 28 -2.392 -2.268 -11.204 1.00 20.41 H new ATOM 0 HB2 LEU A 28 -0.369 -2.152 -12.854 1.00 52.11 H new ATOM 0 HB3 LEU A 28 -1.202 -0.804 -13.603 1.00 52.11 H new ATOM 0 HG LEU A 28 0.671 -0.250 -11.952 1.00 73.13 H new ATOM 0 HD11 LEU A 28 -0.453 1.724 -10.999 1.00 10.44 H new ATOM 0 HD12 LEU A 28 -0.839 1.489 -12.721 1.00 10.44 H new ATOM 0 HD13 LEU A 28 -2.030 1.049 -11.474 1.00 10.44 H new ATOM 0 HD21 LEU A 28 0.052 -0.239 -9.523 1.00 4.44 H new ATOM 0 HD22 LEU A 28 -1.469 -1.074 -9.920 1.00 4.44 H new ATOM 0 HD23 LEU A 28 0.090 -1.889 -10.189 1.00 4.44 H new ATOM 458 N ASP A 29 -4.158 -0.648 -11.102 1.00 52.02 N ATOM 459 CA ASP A 29 -5.002 0.530 -10.817 1.00 52.02 C ATOM 460 C ASP A 29 -4.952 0.787 -9.319 1.00 31.14 C ATOM 461 O ASP A 29 -4.575 -0.107 -8.543 1.00 42.43 O ATOM 462 CB ASP A 29 -6.474 0.326 -11.263 1.00 70.50 C ATOM 463 CG ASP A 29 -7.345 1.594 -11.176 1.00 42.25 C ATOM 464 OD1 ASP A 29 -7.184 2.499 -12.021 1.00 74.33 O ATOM 465 OD2 ASP A 29 -8.173 1.705 -10.236 1.00 40.22 O ATOM 0 H ASP A 29 -4.052 -1.263 -10.296 1.00 52.02 H new ATOM 0 HA ASP A 29 -4.617 1.380 -11.381 1.00 52.02 H new ATOM 0 HB2 ASP A 29 -6.483 -0.037 -12.291 1.00 70.50 H new ATOM 0 HB3 ASP A 29 -6.924 -0.452 -10.646 1.00 70.50 H new ATOM 470 N ASP A 30 -5.346 1.997 -8.912 1.00 44.43 N ATOM 471 CA ASP A 30 -5.305 2.407 -7.506 1.00 52.32 C ATOM 472 C ASP A 30 -6.304 1.614 -6.659 1.00 44.35 C ATOM 473 O ASP A 30 -5.984 1.165 -5.556 1.00 54.20 O ATOM 474 CB ASP A 30 -5.546 3.928 -7.362 1.00 31.20 C ATOM 475 CG ASP A 30 -4.407 4.766 -7.969 1.00 70.32 C ATOM 476 OD1 ASP A 30 -3.385 4.985 -7.278 1.00 1.53 O ATOM 477 OD2 ASP A 30 -4.538 5.229 -9.120 1.00 55.21 O ATOM 0 H ASP A 30 -5.700 2.716 -9.543 1.00 44.43 H new ATOM 0 HA ASP A 30 -4.306 2.185 -7.132 1.00 52.32 H new ATOM 0 HB2 ASP A 30 -6.485 4.191 -7.848 1.00 31.20 H new ATOM 0 HB3 ASP A 30 -5.653 4.177 -6.306 1.00 31.20 H new ATOM 482 N GLN A 31 -7.507 1.425 -7.195 1.00 51.25 N ATOM 483 CA GLN A 31 -8.575 0.688 -6.499 1.00 63.13 C ATOM 484 C GLN A 31 -8.560 -0.810 -6.855 1.00 43.52 C ATOM 485 O GLN A 31 -9.464 -1.539 -6.435 1.00 40.53 O ATOM 486 CB GLN A 31 -9.949 1.347 -6.794 1.00 41.24 C ATOM 487 CG GLN A 31 -10.051 2.801 -6.302 1.00 32.53 C ATOM 488 CD GLN A 31 -11.389 3.460 -6.636 1.00 41.22 C ATOM 489 OE1 GLN A 31 -11.546 4.049 -7.705 1.00 10.04 O ATOM 490 NE2 GLN A 31 -12.366 3.340 -5.751 1.00 45.13 N ATOM 0 H GLN A 31 -7.774 1.772 -8.116 1.00 51.25 H new ATOM 0 HA GLN A 31 -8.395 0.745 -5.426 1.00 63.13 H new ATOM 0 HB2 GLN A 31 -10.132 1.322 -7.868 1.00 41.24 H new ATOM 0 HB3 GLN A 31 -10.735 0.756 -6.323 1.00 41.24 H new ATOM 0 HG2 GLN A 31 -9.903 2.823 -5.222 1.00 32.53 H new ATOM 0 HG3 GLN A 31 -9.245 3.385 -6.747 1.00 32.53 H new ATOM 0 HE21 GLN A 31 -12.202 2.845 -4.874 1.00 45.13 H new ATOM 0 HE22 GLN A 31 -13.283 3.742 -5.946 1.00 45.13 H new ATOM 499 N THR A 32 -7.526 -1.281 -7.605 1.00 41.41 N ATOM 500 CA THR A 32 -7.325 -2.725 -7.846 1.00 63.01 C ATOM 501 C THR A 32 -7.073 -3.453 -6.503 1.00 50.31 C ATOM 502 O THR A 32 -6.024 -3.218 -5.869 1.00 13.03 O ATOM 503 CB THR A 32 -6.145 -3.044 -8.821 1.00 2.03 C ATOM 504 OG1 THR A 32 -6.434 -2.534 -10.117 1.00 5.54 O ATOM 505 CG2 THR A 32 -5.877 -4.565 -8.923 1.00 25.43 C ATOM 0 H THR A 32 -6.828 -0.682 -8.047 1.00 41.41 H new ATOM 0 HA THR A 32 -8.239 -3.079 -8.322 1.00 63.01 H new ATOM 0 HB THR A 32 -5.252 -2.566 -8.419 1.00 2.03 H new ATOM 0 HG1 THR A 32 -5.829 -2.942 -10.771 1.00 5.54 H new ATOM 0 HG21 THR A 32 -5.050 -4.743 -9.610 1.00 25.43 H new ATOM 0 HG22 THR A 32 -5.622 -4.956 -7.938 1.00 25.43 H new ATOM 0 HG23 THR A 32 -6.771 -5.068 -9.293 1.00 25.43 H new ATOM 513 N PRO A 33 -8.015 -4.355 -6.073 1.00 72.20 N ATOM 514 CA PRO A 33 -7.929 -5.048 -4.777 1.00 12.41 C ATOM 515 C PRO A 33 -6.791 -6.087 -4.770 1.00 4.31 C ATOM 516 O PRO A 33 -6.880 -7.146 -5.385 1.00 3.55 O ATOM 517 CB PRO A 33 -9.324 -5.683 -4.627 1.00 53.22 C ATOM 518 CG PRO A 33 -9.812 -5.888 -6.021 1.00 73.44 C ATOM 519 CD PRO A 33 -9.236 -4.762 -6.834 1.00 51.22 C ATOM 0 HA PRO A 33 -7.687 -4.389 -3.943 1.00 12.41 H new ATOM 0 HB2 PRO A 33 -9.271 -6.628 -4.086 1.00 53.22 H new ATOM 0 HB3 PRO A 33 -9.995 -5.032 -4.067 1.00 53.22 H new ATOM 0 HG2 PRO A 33 -9.489 -6.854 -6.409 1.00 73.44 H new ATOM 0 HG3 PRO A 33 -10.901 -5.878 -6.058 1.00 73.44 H new ATOM 0 HD2 PRO A 33 -8.987 -5.086 -7.845 1.00 51.22 H new ATOM 0 HD3 PRO A 33 -9.941 -3.936 -6.929 1.00 51.22 H new ATOM 527 N LEU A 34 -5.720 -5.750 -4.048 1.00 41.32 N ATOM 528 CA LEU A 34 -4.480 -6.527 -4.016 1.00 64.42 C ATOM 529 C LEU A 34 -4.696 -7.899 -3.351 1.00 75.23 C ATOM 530 O LEU A 34 -4.386 -8.929 -3.945 1.00 43.35 O ATOM 531 CB LEU A 34 -3.395 -5.739 -3.262 1.00 24.33 C ATOM 532 CG LEU A 34 -3.058 -4.318 -3.794 1.00 65.23 C ATOM 533 CD1 LEU A 34 -2.034 -3.622 -2.871 1.00 34.53 C ATOM 534 CD2 LEU A 34 -2.554 -4.360 -5.257 1.00 31.13 C ATOM 0 H LEU A 34 -5.690 -4.917 -3.460 1.00 41.32 H new ATOM 0 HA LEU A 34 -4.158 -6.701 -5.043 1.00 64.42 H new ATOM 0 HB2 LEU A 34 -3.705 -5.646 -2.221 1.00 24.33 H new ATOM 0 HB3 LEU A 34 -2.479 -6.330 -3.271 1.00 24.33 H new ATOM 0 HG LEU A 34 -3.978 -3.733 -3.788 1.00 65.23 H new ATOM 0 HD11 LEU A 34 -1.810 -2.628 -3.260 1.00 34.53 H new ATOM 0 HD12 LEU A 34 -2.450 -3.534 -1.867 1.00 34.53 H new ATOM 0 HD13 LEU A 34 -1.118 -4.212 -2.834 1.00 34.53 H new ATOM 0 HD21 LEU A 34 -2.329 -3.348 -5.593 1.00 31.13 H new ATOM 0 HD22 LEU A 34 -1.653 -4.970 -5.314 1.00 31.13 H new ATOM 0 HD23 LEU A 34 -3.325 -4.791 -5.895 1.00 31.13 H new ATOM 546 N LEU A 35 -5.233 -7.889 -2.114 1.00 55.41 N ATOM 547 CA LEU A 35 -5.515 -9.127 -1.336 1.00 32.24 C ATOM 548 C LEU A 35 -6.418 -10.096 -2.118 1.00 21.22 C ATOM 549 O LEU A 35 -6.143 -11.300 -2.197 1.00 11.33 O ATOM 550 CB LEU A 35 -6.204 -8.774 0.007 1.00 51.23 C ATOM 551 CG LEU A 35 -5.319 -8.065 1.075 1.00 4.54 C ATOM 552 CD1 LEU A 35 -6.184 -7.581 2.242 1.00 22.13 C ATOM 553 CD2 LEU A 35 -4.203 -8.995 1.599 1.00 62.43 C ATOM 0 H LEU A 35 -5.485 -7.031 -1.623 1.00 55.41 H new ATOM 0 HA LEU A 35 -4.558 -9.615 -1.149 1.00 32.24 H new ATOM 0 HB2 LEU A 35 -7.060 -8.134 -0.206 1.00 51.23 H new ATOM 0 HB3 LEU A 35 -6.594 -9.694 0.443 1.00 51.23 H new ATOM 0 HG LEU A 35 -4.845 -7.209 0.595 1.00 4.54 H new ATOM 0 HD11 LEU A 35 -5.554 -7.087 2.982 1.00 22.13 H new ATOM 0 HD12 LEU A 35 -6.931 -6.878 1.874 1.00 22.13 H new ATOM 0 HD13 LEU A 35 -6.684 -8.433 2.702 1.00 22.13 H new ATOM 0 HD21 LEU A 35 -3.607 -8.465 2.342 1.00 62.43 H new ATOM 0 HD22 LEU A 35 -4.650 -9.878 2.055 1.00 62.43 H new ATOM 0 HD23 LEU A 35 -3.564 -9.299 0.770 1.00 62.43 H new ATOM 565 N GLU A 36 -7.480 -9.527 -2.698 1.00 52.20 N ATOM 566 CA GLU A 36 -8.503 -10.273 -3.446 1.00 72.42 C ATOM 567 C GLU A 36 -7.912 -10.924 -4.714 1.00 2.01 C ATOM 568 O GLU A 36 -8.322 -12.020 -5.109 1.00 51.32 O ATOM 569 CB GLU A 36 -9.663 -9.316 -3.817 1.00 0.44 C ATOM 570 CG GLU A 36 -10.861 -9.987 -4.501 1.00 51.21 C ATOM 571 CD GLU A 36 -11.820 -8.978 -5.147 1.00 23.12 C ATOM 572 OE1 GLU A 36 -12.505 -8.242 -4.407 1.00 24.33 O ATOM 573 OE2 GLU A 36 -11.868 -8.888 -6.396 1.00 44.44 O ATOM 0 H GLU A 36 -7.657 -8.523 -2.662 1.00 52.20 H new ATOM 0 HA GLU A 36 -8.880 -11.077 -2.814 1.00 72.42 H new ATOM 0 HB2 GLU A 36 -10.011 -8.822 -2.910 1.00 0.44 H new ATOM 0 HB3 GLU A 36 -9.276 -8.538 -4.475 1.00 0.44 H new ATOM 0 HG2 GLU A 36 -10.499 -10.676 -5.264 1.00 51.21 H new ATOM 0 HG3 GLU A 36 -11.406 -10.581 -3.768 1.00 51.21 H new ATOM 580 N TRP A 37 -6.918 -10.252 -5.326 1.00 54.54 N ATOM 581 CA TRP A 37 -6.285 -10.748 -6.574 1.00 74.03 C ATOM 582 C TRP A 37 -5.079 -11.652 -6.259 1.00 53.12 C ATOM 583 O TRP A 37 -4.464 -12.203 -7.175 1.00 13.42 O ATOM 584 CB TRP A 37 -5.876 -9.565 -7.497 1.00 42.25 C ATOM 585 CG TRP A 37 -7.033 -8.849 -8.181 1.00 0.11 C ATOM 586 CD1 TRP A 37 -8.312 -8.689 -7.720 1.00 13.41 C ATOM 587 CD2 TRP A 37 -6.994 -8.184 -9.457 1.00 63.53 C ATOM 588 NE1 TRP A 37 -9.056 -7.970 -8.617 1.00 11.23 N ATOM 589 CE2 TRP A 37 -8.275 -7.651 -9.692 1.00 45.13 C ATOM 590 CE3 TRP A 37 -6.000 -7.992 -10.423 1.00 45.05 C ATOM 591 CZ2 TRP A 37 -8.587 -6.935 -10.845 1.00 60.23 C ATOM 592 CZ3 TRP A 37 -6.312 -7.282 -11.569 1.00 22.11 C ATOM 593 CH2 TRP A 37 -7.596 -6.764 -11.773 1.00 35.41 C ATOM 0 H TRP A 37 -6.535 -9.371 -4.984 1.00 54.54 H new ATOM 0 HA TRP A 37 -7.020 -11.350 -7.109 1.00 74.03 H new ATOM 0 HB2 TRP A 37 -5.319 -8.839 -6.905 1.00 42.25 H new ATOM 0 HB3 TRP A 37 -5.197 -9.940 -8.263 1.00 42.25 H new ATOM 0 HD1 TRP A 37 -8.682 -9.075 -6.782 1.00 13.41 H new ATOM 0 HE1 TRP A 37 -10.036 -7.714 -8.501 1.00 11.23 H new ATOM 0 HE3 TRP A 37 -5.007 -8.391 -10.277 1.00 45.05 H new ATOM 0 HZ2 TRP A 37 -9.576 -6.529 -11.001 1.00 60.23 H new ATOM 0 HZ3 TRP A 37 -5.551 -7.125 -12.319 1.00 22.11 H new ATOM 0 HH2 TRP A 37 -7.809 -6.219 -12.681 1.00 35.41 H new ATOM 604 N GLY A 38 -4.758 -11.807 -4.961 1.00 64.51 N ATOM 605 CA GLY A 38 -3.620 -12.629 -4.535 1.00 4.53 C ATOM 606 C GLY A 38 -2.273 -11.962 -4.813 1.00 54.20 C ATOM 607 O GLY A 38 -1.244 -12.636 -4.931 1.00 3.33 O ATOM 0 H GLY A 38 -5.272 -11.373 -4.194 1.00 64.51 H new ATOM 0 HA2 GLY A 38 -3.705 -12.835 -3.468 1.00 4.53 H new ATOM 0 HA3 GLY A 38 -3.658 -13.589 -5.049 1.00 4.53 H new ATOM 611 N ILE A 39 -2.300 -10.620 -4.930 1.00 54.01 N ATOM 612 CA ILE A 39 -1.111 -9.784 -5.130 1.00 71.10 C ATOM 613 C ILE A 39 -0.357 -9.669 -3.799 1.00 5.04 C ATOM 614 O ILE A 39 0.872 -9.612 -3.771 1.00 1.12 O ATOM 615 CB ILE A 39 -1.519 -8.357 -5.677 1.00 51.05 C ATOM 616 CG1 ILE A 39 -2.299 -8.490 -7.038 1.00 21.41 C ATOM 617 CG2 ILE A 39 -0.286 -7.434 -5.818 1.00 24.33 C ATOM 618 CD1 ILE A 39 -2.771 -7.181 -7.658 1.00 12.41 C ATOM 0 H ILE A 39 -3.166 -10.082 -4.887 1.00 54.01 H new ATOM 0 HA ILE A 39 -0.460 -10.244 -5.873 1.00 71.10 H new ATOM 0 HB ILE A 39 -2.186 -7.893 -4.950 1.00 51.05 H new ATOM 0 HG12 ILE A 39 -1.657 -9.000 -7.756 1.00 21.41 H new ATOM 0 HG13 ILE A 39 -3.167 -9.129 -6.877 1.00 21.41 H new ATOM 0 HG21 ILE A 39 -0.601 -6.461 -6.196 1.00 24.33 H new ATOM 0 HG22 ILE A 39 0.188 -7.309 -4.844 1.00 24.33 H new ATOM 0 HG23 ILE A 39 0.425 -7.880 -6.513 1.00 24.33 H new ATOM 0 HD11 ILE A 39 -3.296 -7.388 -8.591 1.00 12.41 H new ATOM 0 HD12 ILE A 39 -3.445 -6.674 -6.968 1.00 12.41 H new ATOM 0 HD13 ILE A 39 -1.911 -6.543 -7.860 1.00 12.41 H new ATOM 630 N LEU A 40 -1.132 -9.628 -2.703 1.00 52.34 N ATOM 631 CA LEU A 40 -0.615 -9.692 -1.332 1.00 31.24 C ATOM 632 C LEU A 40 -0.951 -11.045 -0.725 1.00 62.13 C ATOM 633 O LEU A 40 -2.041 -11.587 -0.970 1.00 12.22 O ATOM 634 CB LEU A 40 -1.225 -8.581 -0.462 1.00 20.11 C ATOM 635 CG LEU A 40 -1.100 -7.144 -1.016 1.00 23.25 C ATOM 636 CD1 LEU A 40 -1.756 -6.131 -0.069 1.00 25.20 C ATOM 637 CD2 LEU A 40 0.362 -6.778 -1.329 1.00 2.35 C ATOM 0 H LEU A 40 -2.148 -9.548 -2.748 1.00 52.34 H new ATOM 0 HA LEU A 40 0.466 -9.554 -1.366 1.00 31.24 H new ATOM 0 HB2 LEU A 40 -2.282 -8.802 -0.314 1.00 20.11 H new ATOM 0 HB3 LEU A 40 -0.752 -8.614 0.519 1.00 20.11 H new ATOM 0 HG LEU A 40 -1.640 -7.105 -1.962 1.00 23.25 H new ATOM 0 HD11 LEU A 40 -1.654 -5.128 -0.482 1.00 25.20 H new ATOM 0 HD12 LEU A 40 -2.813 -6.371 0.045 1.00 25.20 H new ATOM 0 HD13 LEU A 40 -1.268 -6.174 0.905 1.00 25.20 H new ATOM 0 HD21 LEU A 40 0.407 -5.760 -1.716 1.00 2.35 H new ATOM 0 HD22 LEU A 40 0.957 -6.847 -0.418 1.00 2.35 H new ATOM 0 HD23 LEU A 40 0.758 -7.468 -2.074 1.00 2.35 H new ATOM 649 N ASN A 41 -0.019 -11.570 0.072 1.00 32.23 N ATOM 650 CA ASN A 41 -0.158 -12.851 0.780 1.00 5.55 C ATOM 651 C ASN A 41 0.292 -12.663 2.238 1.00 61.41 C ATOM 652 O ASN A 41 -0.541 -12.689 3.153 1.00 35.22 O ATOM 653 CB ASN A 41 0.651 -13.979 0.071 1.00 31.42 C ATOM 654 CG ASN A 41 0.141 -14.287 -1.340 1.00 1.22 C ATOM 655 OD1 ASN A 41 0.565 -13.652 -2.310 1.00 5.41 O ATOM 656 ND2 ASN A 41 -0.764 -15.255 -1.466 1.00 45.23 N ATOM 0 H ASN A 41 0.874 -11.110 0.249 1.00 32.23 H new ATOM 0 HA ASN A 41 -1.203 -13.162 0.766 1.00 5.55 H new ATOM 0 HB2 ASN A 41 1.700 -13.687 0.016 1.00 31.42 H new ATOM 0 HB3 ASN A 41 0.604 -14.886 0.674 1.00 31.42 H new ATOM 0 HD21 ASN A 41 -1.131 -15.494 -2.387 1.00 45.23 H new ATOM 0 HD22 ASN A 41 -1.091 -15.758 -0.641 1.00 45.23 H new ATOM 663 N SER A 42 1.606 -12.432 2.444 1.00 73.11 N ATOM 664 CA SER A 42 2.187 -12.265 3.786 1.00 25.12 C ATOM 665 C SER A 42 3.545 -11.538 3.728 1.00 32.31 C ATOM 666 O SER A 42 3.653 -10.378 4.126 1.00 24.35 O ATOM 667 CB SER A 42 2.310 -13.646 4.476 1.00 31.53 C ATOM 668 OG SER A 42 2.917 -13.529 5.735 1.00 41.12 O ATOM 0 H SER A 42 2.287 -12.357 1.688 1.00 73.11 H new ATOM 0 HA SER A 42 1.522 -11.637 4.379 1.00 25.12 H new ATOM 0 HB2 SER A 42 1.321 -14.091 4.586 1.00 31.53 H new ATOM 0 HB3 SER A 42 2.894 -14.319 3.848 1.00 31.53 H new ATOM 673 N MET A 43 4.582 -12.217 3.219 1.00 21.24 N ATOM 674 CA MET A 43 5.971 -11.690 3.263 1.00 21.24 C ATOM 675 C MET A 43 6.204 -10.570 2.246 1.00 22.20 C ATOM 676 O MET A 43 7.143 -9.778 2.369 1.00 74.11 O ATOM 677 CB MET A 43 6.971 -12.857 3.101 1.00 4.02 C ATOM 678 CG MET A 43 6.866 -13.946 4.205 1.00 13.10 C ATOM 679 SD MET A 43 7.364 -13.391 5.872 1.00 2.10 S ATOM 680 CE MET A 43 5.943 -12.481 6.509 1.00 32.43 C ATOM 0 H MET A 43 4.496 -13.130 2.772 1.00 21.24 H new ATOM 0 HA MET A 43 6.136 -11.229 4.237 1.00 21.24 H new ATOM 0 HB2 MET A 43 6.812 -13.325 2.129 1.00 4.02 H new ATOM 0 HB3 MET A 43 7.984 -12.455 3.099 1.00 4.02 H new ATOM 0 HG2 MET A 43 5.837 -14.303 4.248 1.00 13.10 H new ATOM 0 HG3 MET A 43 7.486 -14.795 3.919 1.00 13.10 H new ATOM 0 HE1 MET A 43 6.190 -11.421 6.576 1.00 32.43 H new ATOM 0 HE2 MET A 43 5.095 -12.614 5.838 1.00 32.43 H new ATOM 0 HE3 MET A 43 5.685 -12.856 7.499 1.00 32.43 H new ATOM 690 N ASN A 44 5.319 -10.504 1.264 1.00 62.44 N ATOM 691 CA ASN A 44 5.240 -9.402 0.292 1.00 21.00 C ATOM 692 C ASN A 44 4.518 -8.166 0.900 1.00 31.03 C ATOM 693 O ASN A 44 4.811 -7.025 0.539 1.00 33.34 O ATOM 694 CB ASN A 44 4.556 -9.902 -1.014 1.00 3.33 C ATOM 695 CG ASN A 44 3.200 -10.604 -0.815 1.00 1.51 C ATOM 696 OD1 ASN A 44 2.848 -11.053 0.276 1.00 10.42 O ATOM 697 ND2 ASN A 44 2.444 -10.763 -1.890 1.00 25.31 N ATOM 0 H ASN A 44 4.616 -11.226 1.109 1.00 62.44 H new ATOM 0 HA ASN A 44 6.249 -9.075 0.040 1.00 21.00 H new ATOM 0 HB2 ASN A 44 4.412 -9.050 -1.679 1.00 3.33 H new ATOM 0 HB3 ASN A 44 5.233 -10.591 -1.519 1.00 3.33 H new ATOM 0 HD21 ASN A 44 1.558 -11.263 -1.821 1.00 25.31 H new ATOM 0 HD22 ASN A 44 2.748 -10.386 -2.788 1.00 25.31 H new ATOM 704 N ILE A 45 3.625 -8.398 1.870 1.00 33.54 N ATOM 705 CA ILE A 45 2.863 -7.311 2.543 1.00 63.01 C ATOM 706 C ILE A 45 3.796 -6.429 3.420 1.00 63.43 C ATOM 707 O ILE A 45 3.493 -5.266 3.697 1.00 32.54 O ATOM 708 CB ILE A 45 1.659 -7.920 3.398 1.00 53.23 C ATOM 709 CG1 ILE A 45 0.308 -7.214 3.066 1.00 14.31 C ATOM 710 CG2 ILE A 45 1.922 -7.894 4.928 1.00 42.20 C ATOM 711 CD1 ILE A 45 -0.902 -7.836 3.737 1.00 10.52 C ATOM 0 H ILE A 45 3.404 -9.332 2.216 1.00 33.54 H new ATOM 0 HA ILE A 45 2.438 -6.665 1.775 1.00 63.01 H new ATOM 0 HB ILE A 45 1.589 -8.968 3.106 1.00 53.23 H new ATOM 0 HG12 ILE A 45 0.376 -6.167 3.363 1.00 14.31 H new ATOM 0 HG13 ILE A 45 0.159 -7.230 1.986 1.00 14.31 H new ATOM 0 HG21 ILE A 45 1.067 -8.321 5.452 1.00 42.20 H new ATOM 0 HG22 ILE A 45 2.814 -8.478 5.154 1.00 42.20 H new ATOM 0 HG23 ILE A 45 2.070 -6.865 5.254 1.00 42.20 H new ATOM 0 HD11 ILE A 45 -1.799 -7.285 3.453 1.00 10.52 H new ATOM 0 HD12 ILE A 45 -0.999 -8.875 3.421 1.00 10.52 H new ATOM 0 HD13 ILE A 45 -0.779 -7.796 4.819 1.00 10.52 H new ATOM 723 N VAL A 46 4.937 -7.019 3.819 1.00 34.34 N ATOM 724 CA VAL A 46 5.924 -6.388 4.721 1.00 42.34 C ATOM 725 C VAL A 46 6.619 -5.179 4.050 1.00 34.31 C ATOM 726 O VAL A 46 7.050 -4.231 4.725 1.00 64.02 O ATOM 727 CB VAL A 46 6.992 -7.446 5.191 1.00 31.34 C ATOM 728 CG1 VAL A 46 7.964 -6.850 6.227 1.00 64.12 C ATOM 729 CG2 VAL A 46 6.309 -8.712 5.758 1.00 54.11 C ATOM 0 H VAL A 46 5.205 -7.957 3.522 1.00 34.34 H new ATOM 0 HA VAL A 46 5.386 -6.017 5.593 1.00 42.34 H new ATOM 0 HB VAL A 46 7.572 -7.730 4.313 1.00 31.34 H new ATOM 0 HG11 VAL A 46 8.686 -7.609 6.528 1.00 64.12 H new ATOM 0 HG12 VAL A 46 8.490 -6.003 5.787 1.00 64.12 H new ATOM 0 HG13 VAL A 46 7.404 -6.515 7.101 1.00 64.12 H new ATOM 0 HG21 VAL A 46 7.070 -9.425 6.075 1.00 54.11 H new ATOM 0 HG22 VAL A 46 5.689 -8.439 6.612 1.00 54.11 H new ATOM 0 HG23 VAL A 46 5.685 -9.165 4.987 1.00 54.11 H new ATOM 739 N LYS A 47 6.680 -5.215 2.709 1.00 44.25 N ATOM 740 CA LYS A 47 7.324 -4.164 1.891 1.00 11.44 C ATOM 741 C LYS A 47 6.589 -2.826 2.059 1.00 43.23 C ATOM 742 O LYS A 47 7.213 -1.767 2.085 1.00 13.35 O ATOM 743 CB LYS A 47 7.368 -4.564 0.388 1.00 55.33 C ATOM 744 CG LYS A 47 8.406 -5.647 0.013 1.00 44.35 C ATOM 745 CD LYS A 47 8.168 -7.001 0.715 1.00 24.04 C ATOM 746 CE LYS A 47 9.045 -8.130 0.151 1.00 45.13 C ATOM 747 NZ LYS A 47 10.486 -7.866 0.325 1.00 54.33 N ATOM 0 H LYS A 47 6.284 -5.975 2.156 1.00 44.25 H new ATOM 0 HA LYS A 47 8.350 -4.052 2.243 1.00 11.44 H new ATOM 0 HB2 LYS A 47 6.379 -4.918 0.096 1.00 55.33 H new ATOM 0 HB3 LYS A 47 7.574 -3.670 -0.201 1.00 55.33 H new ATOM 0 HG2 LYS A 47 8.387 -5.799 -1.066 1.00 44.35 H new ATOM 0 HG3 LYS A 47 9.403 -5.286 0.266 1.00 44.35 H new ATOM 0 HD2 LYS A 47 8.367 -6.892 1.781 1.00 24.04 H new ATOM 0 HD3 LYS A 47 7.119 -7.278 0.613 1.00 24.04 H new ATOM 0 HE2 LYS A 47 8.788 -9.067 0.645 1.00 45.13 H new ATOM 0 HE3 LYS A 47 8.828 -8.259 -0.909 1.00 45.13 H new ATOM 0 HZ1 LYS A 47 11.034 -8.656 -0.071 1.00 54.33 H new ATOM 0 HZ2 LYS A 47 10.740 -6.986 -0.169 1.00 54.33 H new ATOM 0 HZ3 LYS A 47 10.701 -7.769 1.338 1.00 54.33 H new ATOM 761 N LEU A 48 5.258 -2.911 2.208 1.00 70.43 N ATOM 762 CA LEU A 48 4.380 -1.739 2.388 1.00 23.10 C ATOM 763 C LEU A 48 4.656 -1.047 3.732 1.00 40.43 C ATOM 764 O LEU A 48 4.765 0.180 3.781 1.00 71.10 O ATOM 765 CB LEU A 48 2.879 -2.144 2.285 1.00 12.13 C ATOM 766 CG LEU A 48 2.342 -2.514 0.853 1.00 52.03 C ATOM 767 CD1 LEU A 48 2.548 -1.338 -0.146 1.00 23.00 C ATOM 768 CD2 LEU A 48 2.958 -3.835 0.309 1.00 45.12 C ATOM 0 H LEU A 48 4.756 -3.799 2.207 1.00 70.43 H new ATOM 0 HA LEU A 48 4.600 -1.034 1.587 1.00 23.10 H new ATOM 0 HB2 LEU A 48 2.711 -2.997 2.942 1.00 12.13 H new ATOM 0 HB3 LEU A 48 2.278 -1.321 2.672 1.00 12.13 H new ATOM 0 HG LEU A 48 1.271 -2.688 0.953 1.00 52.03 H new ATOM 0 HD11 LEU A 48 2.167 -1.623 -1.127 1.00 23.00 H new ATOM 0 HD12 LEU A 48 2.010 -0.459 0.211 1.00 23.00 H new ATOM 0 HD13 LEU A 48 3.611 -1.107 -0.222 1.00 23.00 H new ATOM 0 HD21 LEU A 48 2.554 -4.044 -0.682 1.00 45.12 H new ATOM 0 HD22 LEU A 48 4.041 -3.732 0.245 1.00 45.12 H new ATOM 0 HD23 LEU A 48 2.711 -4.656 0.982 1.00 45.12 H new ATOM 780 N MET A 49 4.823 -1.865 4.792 1.00 73.35 N ATOM 781 CA MET A 49 4.978 -1.387 6.190 1.00 52.02 C ATOM 782 C MET A 49 6.134 -0.369 6.311 1.00 3.10 C ATOM 783 O MET A 49 5.961 0.732 6.847 1.00 3.31 O ATOM 784 CB MET A 49 5.252 -2.571 7.168 1.00 62.25 C ATOM 785 CG MET A 49 4.278 -3.757 7.085 1.00 44.30 C ATOM 786 SD MET A 49 4.740 -5.068 8.249 1.00 12.51 S ATOM 787 CE MET A 49 3.738 -6.459 7.742 1.00 52.45 C ATOM 0 H MET A 49 4.855 -2.881 4.706 1.00 73.35 H new ATOM 0 HA MET A 49 4.039 -0.904 6.460 1.00 52.02 H new ATOM 0 HB2 MET A 49 6.260 -2.942 6.984 1.00 62.25 H new ATOM 0 HB3 MET A 49 5.236 -2.185 8.187 1.00 62.25 H new ATOM 0 HG2 MET A 49 3.266 -3.415 7.301 1.00 44.30 H new ATOM 0 HG3 MET A 49 4.270 -4.154 6.070 1.00 44.30 H new ATOM 0 HE1 MET A 49 4.246 -7.388 8.002 1.00 52.45 H new ATOM 0 HE2 MET A 49 2.775 -6.418 8.251 1.00 52.45 H new ATOM 0 HE3 MET A 49 3.581 -6.421 6.664 1.00 52.45 H new ATOM 797 N VAL A 50 7.298 -0.761 5.773 1.00 14.42 N ATOM 798 CA VAL A 50 8.533 0.053 5.822 1.00 21.13 C ATOM 799 C VAL A 50 8.485 1.217 4.815 1.00 63.21 C ATOM 800 O VAL A 50 9.002 2.299 5.094 1.00 4.34 O ATOM 801 CB VAL A 50 9.817 -0.831 5.554 1.00 3.21 C ATOM 802 CG1 VAL A 50 9.746 -1.561 4.192 1.00 11.54 C ATOM 803 CG2 VAL A 50 11.126 -0.009 5.666 1.00 54.24 C ATOM 0 H VAL A 50 7.415 -1.652 5.290 1.00 14.42 H new ATOM 0 HA VAL A 50 8.596 0.468 6.828 1.00 21.13 H new ATOM 0 HB VAL A 50 9.833 -1.588 6.338 1.00 3.21 H new ATOM 0 HG11 VAL A 50 10.648 -2.156 4.050 1.00 11.54 H new ATOM 0 HG12 VAL A 50 8.874 -2.215 4.175 1.00 11.54 H new ATOM 0 HG13 VAL A 50 9.665 -0.827 3.390 1.00 11.54 H new ATOM 0 HG21 VAL A 50 11.981 -0.658 5.474 1.00 54.24 H new ATOM 0 HG22 VAL A 50 11.112 0.799 4.934 1.00 54.24 H new ATOM 0 HG23 VAL A 50 11.207 0.411 6.669 1.00 54.24 H new ATOM 813 N TYR A 51 7.830 0.983 3.663 1.00 63.41 N ATOM 814 CA TYR A 51 7.831 1.936 2.528 1.00 73.45 C ATOM 815 C TYR A 51 7.167 3.260 2.920 1.00 61.52 C ATOM 816 O TYR A 51 7.592 4.332 2.515 1.00 44.41 O ATOM 817 CB TYR A 51 7.086 1.339 1.308 1.00 62.43 C ATOM 818 CG TYR A 51 7.375 2.082 -0.010 1.00 61.04 C ATOM 819 CD1 TYR A 51 8.577 1.890 -0.693 1.00 63.33 C ATOM 820 CD2 TYR A 51 6.453 2.968 -0.561 1.00 3.24 C ATOM 821 CE1 TYR A 51 8.841 2.550 -1.873 1.00 74.55 C ATOM 822 CE2 TYR A 51 6.716 3.628 -1.741 1.00 32.13 C ATOM 823 CZ TYR A 51 7.904 3.418 -2.395 1.00 35.21 C ATOM 824 OH TYR A 51 8.155 4.088 -3.571 1.00 73.25 O ATOM 0 H TYR A 51 7.288 0.136 3.489 1.00 63.41 H new ATOM 0 HA TYR A 51 8.871 2.123 2.262 1.00 73.45 H new ATOM 0 HB2 TYR A 51 7.369 0.292 1.196 1.00 62.43 H new ATOM 0 HB3 TYR A 51 6.013 1.360 1.501 1.00 62.43 H new ATOM 0 HD1 TYR A 51 9.314 1.211 -0.289 1.00 63.33 H new ATOM 0 HD2 TYR A 51 5.515 3.141 -0.054 1.00 3.24 H new ATOM 0 HE1 TYR A 51 9.777 2.389 -2.387 1.00 74.55 H new ATOM 0 HE2 TYR A 51 5.987 4.311 -2.152 1.00 32.13 H new ATOM 0 HH TYR A 51 8.741 3.545 -4.138 1.00 73.25 H new ATOM 834 N ILE A 52 6.117 3.129 3.719 1.00 73.12 N ATOM 835 CA ILE A 52 5.285 4.247 4.171 1.00 34.43 C ATOM 836 C ILE A 52 5.992 5.031 5.293 1.00 11.02 C ATOM 837 O ILE A 52 5.848 6.253 5.404 1.00 5.42 O ATOM 838 CB ILE A 52 3.888 3.688 4.616 1.00 53.24 C ATOM 839 CG1 ILE A 52 3.236 2.933 3.405 1.00 32.31 C ATOM 840 CG2 ILE A 52 2.965 4.809 5.142 1.00 12.42 C ATOM 841 CD1 ILE A 52 2.106 1.998 3.763 1.00 54.43 C ATOM 0 H ILE A 52 5.810 2.226 4.081 1.00 73.12 H new ATOM 0 HA ILE A 52 5.127 4.954 3.356 1.00 34.43 H new ATOM 0 HB ILE A 52 4.030 2.993 5.443 1.00 53.24 H new ATOM 0 HG12 ILE A 52 2.864 3.672 2.695 1.00 32.31 H new ATOM 0 HG13 ILE A 52 4.011 2.362 2.894 1.00 32.31 H new ATOM 0 HG21 ILE A 52 2.007 4.382 5.440 1.00 12.42 H new ATOM 0 HG22 ILE A 52 3.431 5.291 6.002 1.00 12.42 H new ATOM 0 HG23 ILE A 52 2.804 5.547 4.356 1.00 12.42 H new ATOM 0 HD11 ILE A 52 1.724 1.526 2.858 1.00 54.43 H new ATOM 0 HD12 ILE A 52 2.471 1.231 4.446 1.00 54.43 H new ATOM 0 HD13 ILE A 52 1.306 2.561 4.244 1.00 54.43 H new ATOM 853 N ARG A 53 6.787 4.309 6.101 1.00 2.34 N ATOM 854 CA ARG A 53 7.673 4.919 7.118 1.00 64.11 C ATOM 855 C ARG A 53 8.846 5.677 6.443 1.00 11.11 C ATOM 856 O ARG A 53 9.327 6.691 6.960 1.00 23.22 O ATOM 857 CB ARG A 53 8.206 3.831 8.096 1.00 0.22 C ATOM 858 CG ARG A 53 9.131 4.366 9.218 1.00 2.22 C ATOM 859 CD ARG A 53 8.490 5.484 10.072 1.00 74.22 C ATOM 860 NE ARG A 53 9.430 6.050 11.053 1.00 73.32 N ATOM 861 CZ ARG A 53 9.191 7.123 11.822 1.00 41.52 C ATOM 862 NH1 ARG A 53 8.032 7.777 11.755 1.00 61.14 N ATOM 863 NH2 ARG A 53 10.136 7.540 12.652 1.00 32.53 N ATOM 0 H ARG A 53 6.837 3.291 6.071 1.00 2.34 H new ATOM 0 HA ARG A 53 7.092 5.641 7.692 1.00 64.11 H new ATOM 0 HB2 ARG A 53 7.356 3.326 8.555 1.00 0.22 H new ATOM 0 HB3 ARG A 53 8.750 3.081 7.522 1.00 0.22 H new ATOM 0 HG2 ARG A 53 9.412 3.539 9.870 1.00 2.22 H new ATOM 0 HG3 ARG A 53 10.049 4.745 8.770 1.00 2.22 H new ATOM 0 HD2 ARG A 53 8.132 6.278 9.417 1.00 74.22 H new ATOM 0 HD3 ARG A 53 7.621 5.085 10.594 1.00 74.22 H new ATOM 0 HE ARG A 53 10.335 5.590 11.156 1.00 73.32 H new ATOM 0 HH11 ARG A 53 7.306 7.464 11.110 1.00 61.14 H new ATOM 0 HH12 ARG A 53 7.870 8.591 12.349 1.00 61.14 H new ATOM 0 HH21 ARG A 53 11.028 7.047 12.699 1.00 32.53 H new ATOM 0 HH22 ARG A 53 9.972 8.354 13.244 1.00 32.53 H new ATOM 877 N ASP A 54 9.258 5.176 5.275 1.00 43.41 N ATOM 878 CA ASP A 54 10.369 5.734 4.481 1.00 71.42 C ATOM 879 C ASP A 54 9.914 6.990 3.720 1.00 71.24 C ATOM 880 O ASP A 54 10.583 8.027 3.753 1.00 63.32 O ATOM 881 CB ASP A 54 10.884 4.643 3.504 1.00 4.25 C ATOM 882 CG ASP A 54 12.006 5.111 2.560 1.00 12.43 C ATOM 883 OD1 ASP A 54 13.170 5.219 3.018 1.00 44.31 O ATOM 884 OD2 ASP A 54 11.734 5.375 1.363 1.00 12.14 O ATOM 0 H ASP A 54 8.826 4.359 4.843 1.00 43.41 H new ATOM 0 HA ASP A 54 11.181 6.033 5.144 1.00 71.42 H new ATOM 0 HB2 ASP A 54 11.245 3.794 4.085 1.00 4.25 H new ATOM 0 HB3 ASP A 54 10.047 4.286 2.904 1.00 4.25 H new ATOM 889 N GLU A 55 8.755 6.888 3.056 1.00 45.44 N ATOM 890 CA GLU A 55 8.247 7.948 2.170 1.00 24.31 C ATOM 891 C GLU A 55 7.421 8.982 2.953 1.00 12.20 C ATOM 892 O GLU A 55 7.831 10.142 3.072 1.00 2.53 O ATOM 893 CB GLU A 55 7.421 7.314 1.024 1.00 31.21 C ATOM 894 CG GLU A 55 6.894 8.309 -0.028 1.00 31.24 C ATOM 895 CD GLU A 55 7.980 9.201 -0.653 1.00 63.34 C ATOM 896 OE1 GLU A 55 8.797 8.683 -1.456 1.00 33.10 O ATOM 897 OE2 GLU A 55 8.005 10.425 -0.377 1.00 2.30 O ATOM 0 H GLU A 55 8.144 6.073 3.116 1.00 45.44 H new ATOM 0 HA GLU A 55 9.093 8.481 1.737 1.00 24.31 H new ATOM 0 HB2 GLU A 55 8.038 6.570 0.521 1.00 31.21 H new ATOM 0 HB3 GLU A 55 6.573 6.784 1.458 1.00 31.21 H new ATOM 0 HG2 GLU A 55 6.397 7.752 -0.822 1.00 31.24 H new ATOM 0 HG3 GLU A 55 6.140 8.945 0.436 1.00 31.24 H new ATOM 904 N MET A 56 6.277 8.544 3.506 1.00 63.01 N ATOM 905 CA MET A 56 5.330 9.439 4.227 1.00 14.22 C ATOM 906 C MET A 56 5.782 9.701 5.683 1.00 11.44 C ATOM 907 O MET A 56 5.228 10.576 6.359 1.00 62.00 O ATOM 908 CB MET A 56 3.885 8.844 4.191 1.00 33.10 C ATOM 909 CG MET A 56 3.127 9.082 2.874 1.00 12.23 C ATOM 910 SD MET A 56 3.889 8.309 1.425 1.00 11.45 S ATOM 911 CE MET A 56 3.536 6.574 1.690 1.00 24.23 C ATOM 0 H MET A 56 5.976 7.570 3.472 1.00 63.01 H new ATOM 0 HA MET A 56 5.326 10.400 3.713 1.00 14.22 H new ATOM 0 HB2 MET A 56 3.944 7.771 4.372 1.00 33.10 H new ATOM 0 HB3 MET A 56 3.308 9.275 5.010 1.00 33.10 H new ATOM 0 HG2 MET A 56 2.110 8.704 2.980 1.00 12.23 H new ATOM 0 HG3 MET A 56 3.051 10.156 2.701 1.00 12.23 H new ATOM 0 HE1 MET A 56 4.257 5.968 1.141 1.00 24.23 H new ATOM 0 HE2 MET A 56 3.606 6.347 2.754 1.00 24.23 H new ATOM 0 HE3 MET A 56 2.530 6.349 1.337 1.00 24.23 H new ATOM 921 N GLY A 57 6.778 8.930 6.156 1.00 2.14 N ATOM 922 CA GLY A 57 7.350 9.118 7.497 1.00 45.10 C ATOM 923 C GLY A 57 6.451 8.603 8.609 1.00 52.23 C ATOM 924 O GLY A 57 6.500 9.106 9.733 1.00 10.02 O ATOM 0 H GLY A 57 7.203 8.169 5.626 1.00 2.14 H new ATOM 0 HA2 GLY A 57 8.311 8.607 7.550 1.00 45.10 H new ATOM 0 HA3 GLY A 57 7.544 10.179 7.657 1.00 45.10 H new ATOM 928 N VAL A 58 5.610 7.609 8.295 1.00 34.33 N ATOM 929 CA VAL A 58 4.672 7.017 9.262 1.00 14.22 C ATOM 930 C VAL A 58 4.624 5.485 9.068 1.00 3.01 C ATOM 931 O VAL A 58 4.316 5.004 7.982 1.00 60.15 O ATOM 932 CB VAL A 58 3.240 7.677 9.135 1.00 73.42 C ATOM 933 CG1 VAL A 58 2.660 7.556 7.704 1.00 23.44 C ATOM 934 CG2 VAL A 58 2.269 7.105 10.186 1.00 52.21 C ATOM 0 H VAL A 58 5.559 7.192 7.365 1.00 34.33 H new ATOM 0 HA VAL A 58 5.023 7.219 10.274 1.00 14.22 H new ATOM 0 HB VAL A 58 3.362 8.742 9.334 1.00 73.42 H new ATOM 0 HG11 VAL A 58 1.676 8.024 7.669 1.00 23.44 H new ATOM 0 HG12 VAL A 58 3.324 8.055 6.999 1.00 23.44 H new ATOM 0 HG13 VAL A 58 2.571 6.503 7.435 1.00 23.44 H new ATOM 0 HG21 VAL A 58 1.293 7.577 10.075 1.00 52.21 H new ATOM 0 HG22 VAL A 58 2.170 6.029 10.043 1.00 52.21 H new ATOM 0 HG23 VAL A 58 2.656 7.304 11.185 1.00 52.21 H new ATOM 944 N SER A 59 4.991 4.721 10.108 1.00 21.20 N ATOM 945 CA SER A 59 5.015 3.251 10.049 1.00 54.23 C ATOM 946 C SER A 59 3.618 2.673 10.311 1.00 10.31 C ATOM 947 O SER A 59 2.886 3.182 11.176 1.00 55.01 O ATOM 948 CB SER A 59 6.026 2.719 11.094 1.00 23.54 C ATOM 949 OG SER A 59 5.778 3.276 12.376 1.00 51.41 O ATOM 0 H SER A 59 5.278 5.102 11.009 1.00 21.20 H new ATOM 0 HA SER A 59 5.323 2.937 9.052 1.00 54.23 H new ATOM 0 HB2 SER A 59 5.960 1.632 11.148 1.00 23.54 H new ATOM 0 HB3 SER A 59 7.041 2.962 10.779 1.00 23.54 H new ATOM 0 HG SER A 59 6.429 2.923 13.018 1.00 51.41 H new ATOM 955 N ILE A 60 3.247 1.628 9.552 1.00 65.53 N ATOM 956 CA ILE A 60 2.099 0.775 9.892 1.00 13.32 C ATOM 957 C ILE A 60 2.556 -0.214 10.993 1.00 61.25 C ATOM 958 O ILE A 60 3.463 -1.020 10.740 1.00 74.23 O ATOM 959 CB ILE A 60 1.550 -0.060 8.669 1.00 74.12 C ATOM 960 CG1 ILE A 60 1.164 0.837 7.448 1.00 2.10 C ATOM 961 CG2 ILE A 60 0.333 -0.913 9.114 1.00 54.40 C ATOM 962 CD1 ILE A 60 -0.181 1.540 7.576 1.00 44.32 C ATOM 0 H ILE A 60 3.729 1.354 8.696 1.00 65.53 H new ATOM 0 HA ILE A 60 1.290 1.427 10.220 1.00 13.32 H new ATOM 0 HB ILE A 60 2.358 -0.713 8.338 1.00 74.12 H new ATOM 0 HG12 ILE A 60 1.940 1.589 7.307 1.00 2.10 H new ATOM 0 HG13 ILE A 60 1.152 0.219 6.550 1.00 2.10 H new ATOM 0 HG21 ILE A 60 -0.040 -1.486 8.265 1.00 54.40 H new ATOM 0 HG22 ILE A 60 0.638 -1.596 9.907 1.00 54.40 H new ATOM 0 HG23 ILE A 60 -0.455 -0.257 9.483 1.00 54.40 H new ATOM 0 HD11 ILE A 60 -0.365 2.139 6.684 1.00 44.32 H new ATOM 0 HD12 ILE A 60 -0.971 0.797 7.683 1.00 44.32 H new ATOM 0 HD13 ILE A 60 -0.171 2.188 8.452 1.00 44.32 H new ATOM 974 N PRO A 61 1.965 -0.152 12.226 1.00 13.20 N ATOM 975 CA PRO A 61 2.270 -1.119 13.311 1.00 71.14 C ATOM 976 C PRO A 61 1.709 -2.529 13.025 1.00 62.55 C ATOM 977 O PRO A 61 0.846 -2.698 12.151 1.00 74.21 O ATOM 978 CB PRO A 61 1.575 -0.483 14.536 1.00 1.12 C ATOM 979 CG PRO A 61 0.468 0.344 13.977 1.00 5.22 C ATOM 980 CD PRO A 61 0.984 0.887 12.669 1.00 50.53 C ATOM 0 HA PRO A 61 3.341 -1.276 13.440 1.00 71.14 H new ATOM 0 HB2 PRO A 61 1.192 -1.248 15.211 1.00 1.12 H new ATOM 0 HB3 PRO A 61 2.272 0.129 15.109 1.00 1.12 H new ATOM 0 HG2 PRO A 61 -0.430 -0.255 13.825 1.00 5.22 H new ATOM 0 HG3 PRO A 61 0.201 1.152 14.658 1.00 5.22 H new ATOM 0 HD2 PRO A 61 0.181 1.017 11.943 1.00 50.53 H new ATOM 0 HD3 PRO A 61 1.459 1.860 12.797 1.00 50.53 H new ATOM 988 N SER A 62 2.186 -3.519 13.806 1.00 23.54 N ATOM 989 CA SER A 62 1.739 -4.922 13.709 1.00 74.23 C ATOM 990 C SER A 62 0.230 -5.059 14.034 1.00 73.31 C ATOM 991 O SER A 62 -0.453 -5.946 13.511 1.00 15.22 O ATOM 992 CB SER A 62 2.581 -5.789 14.664 1.00 52.41 C ATOM 993 OG SER A 62 2.523 -5.286 15.996 1.00 10.22 O ATOM 0 H SER A 62 2.894 -3.367 14.524 1.00 23.54 H new ATOM 0 HA SER A 62 1.881 -5.265 12.684 1.00 74.23 H new ATOM 0 HB2 SER A 62 2.218 -6.817 14.643 1.00 52.41 H new ATOM 0 HB3 SER A 62 3.616 -5.810 14.324 1.00 52.41 H new ATOM 0 HG SER A 62 3.064 -5.854 16.584 1.00 10.22 H new ATOM 999 N THR A 63 -0.279 -4.145 14.883 1.00 65.32 N ATOM 1000 CA THR A 63 -1.702 -4.106 15.288 1.00 1.11 C ATOM 1001 C THR A 63 -2.616 -3.574 14.160 1.00 15.03 C ATOM 1002 O THR A 63 -3.845 -3.633 14.260 1.00 44.12 O ATOM 1003 CB THR A 63 -1.864 -3.249 16.585 1.00 62.20 C ATOM 1004 OG1 THR A 63 -3.211 -3.312 17.068 1.00 33.51 O ATOM 1005 CG2 THR A 63 -1.443 -1.783 16.378 1.00 33.44 C ATOM 0 H THR A 63 0.285 -3.410 15.310 1.00 65.32 H new ATOM 0 HA THR A 63 -2.017 -5.129 15.493 1.00 1.11 H new ATOM 0 HB THR A 63 -1.194 -3.677 17.331 1.00 62.20 H new ATOM 0 HG1 THR A 63 -3.829 -3.352 16.309 1.00 33.51 H new ATOM 0 HG21 THR A 63 -1.575 -1.232 17.309 1.00 33.44 H new ATOM 0 HG22 THR A 63 -0.396 -1.744 16.079 1.00 33.44 H new ATOM 0 HG23 THR A 63 -2.060 -1.334 15.600 1.00 33.44 H new ATOM 1013 N HIS A 64 -1.999 -3.029 13.097 1.00 24.43 N ATOM 1014 CA HIS A 64 -2.704 -2.537 11.895 1.00 53.53 C ATOM 1015 C HIS A 64 -2.393 -3.410 10.672 1.00 31.32 C ATOM 1016 O HIS A 64 -2.785 -3.059 9.550 1.00 64.41 O ATOM 1017 CB HIS A 64 -2.372 -1.035 11.634 1.00 62.32 C ATOM 1018 CG HIS A 64 -3.208 -0.064 12.438 1.00 14.05 C ATOM 1019 ND1 HIS A 64 -3.844 -0.395 13.623 1.00 3.11 N ATOM 1020 CD2 HIS A 64 -3.551 1.219 12.182 1.00 41.34 C ATOM 1021 CE1 HIS A 64 -4.527 0.644 14.053 1.00 60.31 C ATOM 1022 NE2 HIS A 64 -4.363 1.638 13.205 1.00 14.25 N ATOM 0 H HIS A 64 -0.987 -2.915 13.045 1.00 24.43 H new ATOM 0 HA HIS A 64 -3.776 -2.610 12.076 1.00 53.53 H new ATOM 0 HB2 HIS A 64 -1.319 -0.863 11.859 1.00 62.32 H new ATOM 0 HB3 HIS A 64 -2.510 -0.823 10.574 1.00 62.32 H new ATOM 0 HD2 HIS A 64 -3.242 1.806 11.329 1.00 41.34 H new ATOM 0 HE1 HIS A 64 -5.124 0.676 14.953 1.00 60.31 H new ATOM 0 HE2 HIS A 64 -4.773 2.568 13.294 1.00 14.25 H new ATOM 1031 N ILE A 65 -1.721 -4.560 10.873 1.00 64.31 N ATOM 1032 CA ILE A 65 -1.473 -5.503 9.777 1.00 52.24 C ATOM 1033 C ILE A 65 -2.625 -6.495 9.721 1.00 11.41 C ATOM 1034 O ILE A 65 -2.613 -7.517 10.412 1.00 64.43 O ATOM 1035 CB ILE A 65 -0.112 -6.273 9.915 1.00 31.01 C ATOM 1036 CG1 ILE A 65 1.048 -5.284 10.168 1.00 23.24 C ATOM 1037 CG2 ILE A 65 0.160 -7.116 8.651 1.00 33.13 C ATOM 1038 CD1 ILE A 65 1.207 -4.248 9.087 1.00 44.53 C ATOM 0 H ILE A 65 -1.346 -4.852 11.775 1.00 64.31 H new ATOM 0 HA ILE A 65 -1.404 -4.926 8.855 1.00 52.24 H new ATOM 0 HB ILE A 65 -0.181 -6.945 10.770 1.00 31.01 H new ATOM 0 HG12 ILE A 65 0.883 -4.780 11.120 1.00 23.24 H new ATOM 0 HG13 ILE A 65 1.978 -5.845 10.261 1.00 23.24 H new ATOM 0 HG21 ILE A 65 1.107 -7.644 8.762 1.00 33.13 H new ATOM 0 HG22 ILE A 65 -0.644 -7.839 8.516 1.00 33.13 H new ATOM 0 HG23 ILE A 65 0.210 -6.461 7.781 1.00 33.13 H new ATOM 0 HD11 ILE A 65 2.040 -3.590 9.333 1.00 44.53 H new ATOM 0 HD12 ILE A 65 1.404 -4.742 8.136 1.00 44.53 H new ATOM 0 HD13 ILE A 65 0.292 -3.661 9.008 1.00 44.53 H new ATOM 1050 N THR A 66 -3.641 -6.146 8.931 1.00 12.14 N ATOM 1051 CA THR A 66 -4.805 -6.994 8.693 1.00 1.23 C ATOM 1052 C THR A 66 -5.438 -6.631 7.332 1.00 45.53 C ATOM 1053 O THR A 66 -5.022 -5.658 6.681 1.00 1.21 O ATOM 1054 CB THR A 66 -5.832 -6.884 9.879 1.00 61.20 C ATOM 1055 OG1 THR A 66 -6.966 -7.749 9.662 1.00 41.31 O ATOM 1056 CG2 THR A 66 -6.296 -5.437 10.096 1.00 62.42 C ATOM 0 H THR A 66 -3.677 -5.256 8.434 1.00 12.14 H new ATOM 0 HA THR A 66 -4.492 -8.037 8.651 1.00 1.23 H new ATOM 0 HB THR A 66 -5.316 -7.208 10.783 1.00 61.20 H new ATOM 0 HG1 THR A 66 -7.590 -7.665 10.413 1.00 41.31 H new ATOM 0 HG21 THR A 66 -7.005 -5.402 10.924 1.00 62.42 H new ATOM 0 HG22 THR A 66 -5.435 -4.810 10.329 1.00 62.42 H new ATOM 0 HG23 THR A 66 -6.778 -5.070 9.190 1.00 62.42 H new ATOM 1064 N GLY A 67 -6.465 -7.397 6.940 1.00 4.12 N ATOM 1065 CA GLY A 67 -7.075 -7.303 5.620 1.00 25.45 C ATOM 1066 C GLY A 67 -7.643 -5.925 5.267 1.00 53.33 C ATOM 1067 O GLY A 67 -7.243 -5.333 4.265 1.00 0.40 O ATOM 0 H GLY A 67 -6.894 -8.102 7.539 1.00 4.12 H new ATOM 0 HA2 GLY A 67 -6.330 -7.575 4.872 1.00 25.45 H new ATOM 0 HA3 GLY A 67 -7.877 -8.038 5.554 1.00 25.45 H new ATOM 1071 N LYS A 68 -8.524 -5.397 6.129 1.00 33.22 N ATOM 1072 CA LYS A 68 -9.306 -4.157 5.862 1.00 60.31 C ATOM 1073 C LYS A 68 -8.434 -2.937 5.470 1.00 74.53 C ATOM 1074 O LYS A 68 -8.870 -2.074 4.697 1.00 32.25 O ATOM 1075 CB LYS A 68 -10.147 -3.808 7.103 1.00 24.45 C ATOM 1076 CG LYS A 68 -9.318 -3.599 8.391 1.00 34.21 C ATOM 1077 CD LYS A 68 -10.182 -3.203 9.602 1.00 65.21 C ATOM 1078 CE LYS A 68 -10.851 -1.830 9.433 1.00 61.23 C ATOM 1079 NZ LYS A 68 -11.572 -1.401 10.665 1.00 60.23 N ATOM 0 H LYS A 68 -8.723 -5.812 7.039 1.00 33.22 H new ATOM 0 HA LYS A 68 -9.941 -4.370 5.002 1.00 60.31 H new ATOM 0 HB2 LYS A 68 -10.716 -2.901 6.899 1.00 24.45 H new ATOM 0 HB3 LYS A 68 -10.870 -4.606 7.275 1.00 24.45 H new ATOM 0 HG2 LYS A 68 -8.777 -4.517 8.622 1.00 34.21 H new ATOM 0 HG3 LYS A 68 -8.571 -2.825 8.215 1.00 34.21 H new ATOM 0 HD2 LYS A 68 -10.951 -3.960 9.757 1.00 65.21 H new ATOM 0 HD3 LYS A 68 -9.561 -3.192 10.498 1.00 65.21 H new ATOM 0 HE2 LYS A 68 -10.094 -1.088 9.179 1.00 61.23 H new ATOM 0 HE3 LYS A 68 -11.551 -1.869 8.599 1.00 61.23 H new ATOM 0 HZ1 LYS A 68 -12.008 -0.470 10.506 1.00 60.23 H new ATOM 0 HZ2 LYS A 68 -12.312 -2.095 10.894 1.00 60.23 H new ATOM 0 HZ3 LYS A 68 -10.900 -1.338 11.456 1.00 60.23 H new ATOM 1093 N TYR A 69 -7.215 -2.887 6.007 1.00 12.33 N ATOM 1094 CA TYR A 69 -6.291 -1.765 5.788 1.00 62.23 C ATOM 1095 C TYR A 69 -5.484 -1.938 4.495 1.00 13.42 C ATOM 1096 O TYR A 69 -5.192 -0.957 3.812 1.00 3.32 O ATOM 1097 CB TYR A 69 -5.352 -1.627 7.009 1.00 23.21 C ATOM 1098 CG TYR A 69 -6.074 -1.251 8.326 1.00 21.13 C ATOM 1099 CD1 TYR A 69 -6.998 -0.197 8.361 1.00 42.33 C ATOM 1100 CD2 TYR A 69 -5.830 -1.926 9.519 1.00 23.41 C ATOM 1101 CE1 TYR A 69 -7.638 0.163 9.523 1.00 5.14 C ATOM 1102 CE2 TYR A 69 -6.474 -1.567 10.693 1.00 74.13 C ATOM 1103 CZ TYR A 69 -7.376 -0.517 10.686 1.00 33.33 C ATOM 1104 OH TYR A 69 -8.027 -0.144 11.842 1.00 10.04 O ATOM 0 H TYR A 69 -6.837 -3.621 6.606 1.00 12.33 H new ATOM 0 HA TYR A 69 -6.876 -0.852 5.677 1.00 62.23 H new ATOM 0 HB2 TYR A 69 -4.823 -2.569 7.154 1.00 23.21 H new ATOM 0 HB3 TYR A 69 -4.600 -0.869 6.791 1.00 23.21 H new ATOM 0 HD1 TYR A 69 -7.212 0.346 7.452 1.00 42.33 H new ATOM 0 HD2 TYR A 69 -5.126 -2.745 9.530 1.00 23.41 H new ATOM 0 HE1 TYR A 69 -8.345 0.979 9.521 1.00 5.14 H new ATOM 0 HE2 TYR A 69 -6.273 -2.104 11.608 1.00 74.13 H new ATOM 0 HH TYR A 69 -7.738 -0.719 12.581 1.00 10.04 H new ATOM 1114 N PHE A 70 -5.157 -3.195 4.159 1.00 33.11 N ATOM 1115 CA PHE A 70 -4.259 -3.537 3.025 1.00 20.45 C ATOM 1116 C PHE A 70 -5.021 -4.125 1.823 1.00 40.24 C ATOM 1117 O PHE A 70 -4.396 -4.744 0.956 1.00 1.10 O ATOM 1118 CB PHE A 70 -3.172 -4.542 3.512 1.00 51.03 C ATOM 1119 CG PHE A 70 -2.093 -3.922 4.408 1.00 31.51 C ATOM 1120 CD1 PHE A 70 -2.308 -3.739 5.772 1.00 70.14 C ATOM 1121 CD2 PHE A 70 -0.864 -3.523 3.875 1.00 25.32 C ATOM 1122 CE1 PHE A 70 -1.340 -3.173 6.567 1.00 23.23 C ATOM 1123 CE2 PHE A 70 0.106 -2.957 4.676 1.00 4.01 C ATOM 1124 CZ PHE A 70 -0.128 -2.787 6.020 1.00 12.43 C ATOM 0 H PHE A 70 -5.504 -4.011 4.662 1.00 33.11 H new ATOM 0 HA PHE A 70 -3.793 -2.613 2.683 1.00 20.45 H new ATOM 0 HB2 PHE A 70 -3.660 -5.350 4.057 1.00 51.03 H new ATOM 0 HB3 PHE A 70 -2.692 -4.989 2.642 1.00 51.03 H new ATOM 0 HD1 PHE A 70 -3.246 -4.045 6.210 1.00 70.14 H new ATOM 0 HD2 PHE A 70 -0.671 -3.660 2.821 1.00 25.32 H new ATOM 0 HE1 PHE A 70 -1.525 -3.029 7.621 1.00 23.23 H new ATOM 0 HE2 PHE A 70 1.048 -2.648 4.248 1.00 4.01 H new ATOM 0 HZ PHE A 70 0.634 -2.352 6.650 1.00 12.43 H new ATOM 1134 N LYS A 71 -6.354 -3.918 1.749 1.00 74.55 N ATOM 1135 CA LYS A 71 -7.196 -4.490 0.656 1.00 34.14 C ATOM 1136 C LYS A 71 -6.672 -4.108 -0.735 1.00 3.54 C ATOM 1137 O LYS A 71 -6.624 -4.941 -1.637 1.00 24.40 O ATOM 1138 CB LYS A 71 -8.667 -4.048 0.786 1.00 63.24 C ATOM 1139 CG LYS A 71 -9.380 -4.568 2.044 1.00 20.41 C ATOM 1140 CD LYS A 71 -10.892 -4.277 2.034 1.00 62.34 C ATOM 1141 CE LYS A 71 -11.218 -2.783 1.946 1.00 34.20 C ATOM 1142 NZ LYS A 71 -12.679 -2.544 1.836 1.00 5.31 N ATOM 0 H LYS A 71 -6.876 -3.362 2.427 1.00 74.55 H new ATOM 0 HA LYS A 71 -7.138 -5.573 0.762 1.00 34.14 H new ATOM 0 HB2 LYS A 71 -8.707 -2.959 0.785 1.00 63.24 H new ATOM 0 HB3 LYS A 71 -9.214 -4.388 -0.093 1.00 63.24 H new ATOM 0 HG2 LYS A 71 -9.222 -5.643 2.128 1.00 20.41 H new ATOM 0 HG3 LYS A 71 -8.932 -4.110 2.926 1.00 20.41 H new ATOM 0 HD2 LYS A 71 -11.349 -4.792 1.189 1.00 62.34 H new ATOM 0 HD3 LYS A 71 -11.341 -4.688 2.939 1.00 62.34 H new ATOM 0 HE2 LYS A 71 -10.832 -2.274 2.829 1.00 34.20 H new ATOM 0 HE3 LYS A 71 -10.713 -2.351 1.082 1.00 34.20 H new ATOM 0 HZ1 LYS A 71 -12.860 -1.522 1.779 1.00 5.31 H new ATOM 0 HZ2 LYS A 71 -13.043 -3.009 0.980 1.00 5.31 H new ATOM 0 HZ3 LYS A 71 -13.159 -2.934 2.672 1.00 5.31 H new ATOM 1156 N ASP A 72 -6.275 -2.841 -0.853 1.00 42.10 N ATOM 1157 CA ASP A 72 -5.750 -2.230 -2.084 1.00 71.21 C ATOM 1158 C ASP A 72 -5.039 -0.935 -1.713 1.00 62.05 C ATOM 1159 O ASP A 72 -4.817 -0.679 -0.522 1.00 50.01 O ATOM 1160 CB ASP A 72 -6.886 -1.973 -3.101 1.00 34.24 C ATOM 1161 CG ASP A 72 -7.961 -1.012 -2.591 1.00 63.20 C ATOM 1162 OD1 ASP A 72 -8.752 -1.406 -1.711 1.00 34.34 O ATOM 1163 OD2 ASP A 72 -8.026 0.133 -3.067 1.00 25.34 O ATOM 0 H ASP A 72 -6.309 -2.186 -0.071 1.00 42.10 H new ATOM 0 HA ASP A 72 -5.044 -2.909 -2.562 1.00 71.21 H new ATOM 0 HB2 ASP A 72 -6.456 -1.570 -4.018 1.00 34.24 H new ATOM 0 HB3 ASP A 72 -7.353 -2.924 -3.358 1.00 34.24 H new ATOM 1168 N LEU A 73 -4.651 -0.127 -2.717 1.00 55.14 N ATOM 1169 CA LEU A 73 -4.008 1.150 -2.457 1.00 65.50 C ATOM 1170 C LEU A 73 -4.964 2.128 -1.760 1.00 24.31 C ATOM 1171 O LEU A 73 -4.562 2.779 -0.817 1.00 22.31 O ATOM 1172 CB LEU A 73 -3.457 1.770 -3.754 1.00 32.05 C ATOM 1173 CG LEU A 73 -2.901 3.232 -3.639 1.00 52.55 C ATOM 1174 CD1 LEU A 73 -1.678 3.403 -4.524 1.00 2.35 C ATOM 1175 CD2 LEU A 73 -3.983 4.285 -4.000 1.00 2.23 C ATOM 0 H LEU A 73 -4.776 -0.344 -3.706 1.00 55.14 H new ATOM 0 HA LEU A 73 -3.171 0.959 -1.786 1.00 65.50 H new ATOM 0 HB2 LEU A 73 -2.660 1.128 -4.129 1.00 32.05 H new ATOM 0 HB3 LEU A 73 -4.250 1.763 -4.502 1.00 32.05 H new ATOM 0 HG LEU A 73 -2.613 3.397 -2.601 1.00 52.55 H new ATOM 0 HD11 LEU A 73 -1.303 4.423 -4.434 1.00 2.35 H new ATOM 0 HD12 LEU A 73 -0.903 2.703 -4.213 1.00 2.35 H new ATOM 0 HD13 LEU A 73 -1.949 3.207 -5.561 1.00 2.35 H new ATOM 0 HD21 LEU A 73 -3.561 5.286 -3.909 1.00 2.23 H new ATOM 0 HD22 LEU A 73 -4.319 4.125 -5.024 1.00 2.23 H new ATOM 0 HD23 LEU A 73 -4.829 4.185 -3.320 1.00 2.23 H new ATOM 1187 N ASN A 74 -6.208 2.250 -2.262 1.00 45.44 N ATOM 1188 CA ASN A 74 -7.176 3.242 -1.758 1.00 74.15 C ATOM 1189 C ASN A 74 -7.639 2.880 -0.328 1.00 3.11 C ATOM 1190 O ASN A 74 -8.012 3.754 0.450 1.00 34.44 O ATOM 1191 CB ASN A 74 -8.365 3.358 -2.741 1.00 11.40 C ATOM 1192 CG ASN A 74 -9.337 4.488 -2.431 1.00 74.35 C ATOM 1193 OD1 ASN A 74 -8.962 5.539 -1.899 1.00 70.51 O ATOM 1194 ND2 ASN A 74 -10.594 4.278 -2.768 1.00 51.44 N ATOM 0 H ASN A 74 -6.567 1.670 -3.020 1.00 45.44 H new ATOM 0 HA ASN A 74 -6.693 4.217 -1.697 1.00 74.15 H new ATOM 0 HB2 ASN A 74 -7.974 3.499 -3.748 1.00 11.40 H new ATOM 0 HB3 ASN A 74 -8.912 2.415 -2.741 1.00 11.40 H new ATOM 0 HD21 ASN A 74 -11.296 4.996 -2.591 1.00 51.44 H new ATOM 0 HD22 ASN A 74 -10.864 3.397 -3.205 1.00 51.44 H new ATOM 1201 N ALA A 75 -7.579 1.586 0.008 1.00 52.12 N ATOM 1202 CA ALA A 75 -7.743 1.128 1.401 1.00 51.54 C ATOM 1203 C ALA A 75 -6.605 1.688 2.296 1.00 11.20 C ATOM 1204 O ALA A 75 -6.855 2.205 3.387 1.00 32.44 O ATOM 1205 CB ALA A 75 -7.777 -0.404 1.459 1.00 10.13 C ATOM 0 H ALA A 75 -7.418 0.834 -0.662 1.00 52.12 H new ATOM 0 HA ALA A 75 -8.692 1.506 1.782 1.00 51.54 H new ATOM 0 HB1 ALA A 75 -7.898 -0.726 2.493 1.00 10.13 H new ATOM 0 HB2 ALA A 75 -8.613 -0.772 0.864 1.00 10.13 H new ATOM 0 HB3 ALA A 75 -6.844 -0.804 1.061 1.00 10.13 H new ATOM 1211 N ILE A 76 -5.362 1.590 1.784 1.00 40.24 N ATOM 1212 CA ILE A 76 -4.140 2.100 2.451 1.00 1.44 C ATOM 1213 C ILE A 76 -4.114 3.628 2.466 1.00 62.01 C ATOM 1214 O ILE A 76 -3.646 4.203 3.437 1.00 30.24 O ATOM 1215 CB ILE A 76 -2.841 1.535 1.749 1.00 2.21 C ATOM 1216 CG1 ILE A 76 -2.756 -0.008 1.937 1.00 10.41 C ATOM 1217 CG2 ILE A 76 -1.541 2.217 2.261 1.00 45.51 C ATOM 1218 CD1 ILE A 76 -1.604 -0.685 1.215 1.00 14.53 C ATOM 0 H ILE A 76 -5.173 1.149 0.884 1.00 40.24 H new ATOM 0 HA ILE A 76 -4.157 1.751 3.484 1.00 1.44 H new ATOM 0 HB ILE A 76 -2.923 1.767 0.687 1.00 2.21 H new ATOM 0 HG12 ILE A 76 -2.673 -0.224 3.002 1.00 10.41 H new ATOM 0 HG13 ILE A 76 -3.690 -0.452 1.593 1.00 10.41 H new ATOM 0 HG21 ILE A 76 -0.680 1.791 1.746 1.00 45.51 H new ATOM 0 HG22 ILE A 76 -1.590 3.288 2.063 1.00 45.51 H new ATOM 0 HG23 ILE A 76 -1.441 2.051 3.334 1.00 45.51 H new ATOM 0 HD11 ILE A 76 -1.633 -1.757 1.409 1.00 14.53 H new ATOM 0 HD12 ILE A 76 -1.692 -0.508 0.143 1.00 14.53 H new ATOM 0 HD13 ILE A 76 -0.659 -0.277 1.574 1.00 14.53 H new ATOM 1230 N SER A 77 -4.654 4.278 1.412 1.00 53.52 N ATOM 1231 CA SER A 77 -4.604 5.743 1.282 1.00 50.41 C ATOM 1232 C SER A 77 -5.469 6.376 2.379 1.00 34.33 C ATOM 1233 O SER A 77 -5.094 7.384 2.961 1.00 63.35 O ATOM 1234 CB SER A 77 -5.054 6.212 -0.125 1.00 13.24 C ATOM 1235 OG SER A 77 -6.437 5.986 -0.342 1.00 54.51 O ATOM 0 H SER A 77 -5.128 3.808 0.641 1.00 53.52 H new ATOM 0 HA SER A 77 -3.571 6.069 1.403 1.00 50.41 H new ATOM 0 HB2 SER A 77 -4.838 7.274 -0.240 1.00 13.24 H new ATOM 0 HB3 SER A 77 -4.477 5.685 -0.885 1.00 13.24 H new ATOM 0 HG SER A 77 -6.724 5.200 0.168 1.00 54.51 H new ATOM 1241 N ARG A 78 -6.607 5.732 2.683 1.00 54.43 N ATOM 1242 CA ARG A 78 -7.493 6.172 3.775 1.00 63.45 C ATOM 1243 C ARG A 78 -6.846 5.897 5.137 1.00 24.10 C ATOM 1244 O ARG A 78 -6.856 6.764 6.010 1.00 24.24 O ATOM 1245 CB ARG A 78 -8.870 5.479 3.680 1.00 31.52 C ATOM 1246 CG ARG A 78 -9.616 5.711 2.351 1.00 21.24 C ATOM 1247 CD ARG A 78 -9.723 7.196 1.946 1.00 12.20 C ATOM 1248 NE ARG A 78 -10.380 7.365 0.644 1.00 12.34 N ATOM 1249 CZ ARG A 78 -10.373 8.484 -0.084 1.00 4.21 C ATOM 1250 NH1 ARG A 78 -9.738 9.574 0.334 1.00 35.13 N ATOM 1251 NH2 ARG A 78 -11.010 8.504 -1.239 1.00 72.25 N ATOM 0 H ARG A 78 -6.936 4.903 2.188 1.00 54.43 H new ATOM 0 HA ARG A 78 -7.646 7.247 3.675 1.00 63.45 H new ATOM 0 HB2 ARG A 78 -8.733 4.407 3.822 1.00 31.52 H new ATOM 0 HB3 ARG A 78 -9.497 5.831 4.499 1.00 31.52 H new ATOM 0 HG2 ARG A 78 -9.105 5.164 1.558 1.00 21.24 H new ATOM 0 HG3 ARG A 78 -10.619 5.293 2.431 1.00 21.24 H new ATOM 0 HD2 ARG A 78 -10.282 7.740 2.707 1.00 12.20 H new ATOM 0 HD3 ARG A 78 -8.726 7.634 1.908 1.00 12.20 H new ATOM 0 HE ARG A 78 -10.883 6.562 0.265 1.00 12.34 H new ATOM 0 HH11 ARG A 78 -9.244 9.566 1.226 1.00 35.13 H new ATOM 0 HH12 ARG A 78 -9.745 10.419 -0.237 1.00 35.13 H new ATOM 0 HH21 ARG A 78 -11.500 7.671 -1.566 1.00 72.25 H new ATOM 0 HH22 ARG A 78 -11.013 9.352 -1.805 1.00 72.25 H new ATOM 1265 N THR A 79 -6.252 4.697 5.277 1.00 51.20 N ATOM 1266 CA THR A 79 -5.615 4.239 6.534 1.00 3.04 C ATOM 1267 C THR A 79 -4.410 5.118 6.913 1.00 53.34 C ATOM 1268 O THR A 79 -4.208 5.443 8.090 1.00 74.50 O ATOM 1269 CB THR A 79 -5.154 2.749 6.416 1.00 14.20 C ATOM 1270 OG1 THR A 79 -6.297 1.925 6.129 1.00 74.21 O ATOM 1271 CG2 THR A 79 -4.456 2.236 7.700 1.00 62.22 C ATOM 0 H THR A 79 -6.198 4.013 4.522 1.00 51.20 H new ATOM 0 HA THR A 79 -6.366 4.323 7.319 1.00 3.04 H new ATOM 0 HB THR A 79 -4.423 2.694 5.609 1.00 14.20 H new ATOM 0 HG1 THR A 79 -6.523 1.999 5.178 1.00 74.21 H new ATOM 0 HG21 THR A 79 -4.157 1.197 7.561 1.00 62.22 H new ATOM 0 HG22 THR A 79 -3.574 2.843 7.902 1.00 62.22 H new ATOM 0 HG23 THR A 79 -5.145 2.306 8.542 1.00 62.22 H new ATOM 1279 N VAL A 80 -3.637 5.519 5.901 1.00 64.01 N ATOM 1280 CA VAL A 80 -2.399 6.277 6.098 1.00 33.23 C ATOM 1281 C VAL A 80 -2.737 7.740 6.434 1.00 11.10 C ATOM 1282 O VAL A 80 -1.983 8.407 7.148 1.00 52.12 O ATOM 1283 CB VAL A 80 -1.448 6.164 4.846 1.00 10.04 C ATOM 1284 CG1 VAL A 80 -1.969 6.937 3.618 1.00 53.24 C ATOM 1285 CG2 VAL A 80 -0.022 6.598 5.197 1.00 51.34 C ATOM 0 H VAL A 80 -3.851 5.328 4.922 1.00 64.01 H new ATOM 0 HA VAL A 80 -1.853 5.849 6.939 1.00 33.23 H new ATOM 0 HB VAL A 80 -1.436 5.110 4.567 1.00 10.04 H new ATOM 0 HG11 VAL A 80 -1.270 6.819 2.790 1.00 53.24 H new ATOM 0 HG12 VAL A 80 -2.944 6.545 3.328 1.00 53.24 H new ATOM 0 HG13 VAL A 80 -2.063 7.994 3.866 1.00 53.24 H new ATOM 0 HG21 VAL A 80 0.613 6.510 4.315 1.00 51.34 H new ATOM 0 HG22 VAL A 80 -0.030 7.634 5.536 1.00 51.34 H new ATOM 0 HG23 VAL A 80 0.368 5.960 5.990 1.00 51.34 H new ATOM 1295 N GLU A 81 -3.901 8.222 5.932 1.00 73.31 N ATOM 1296 CA GLU A 81 -4.451 9.528 6.338 1.00 20.04 C ATOM 1297 C GLU A 81 -4.877 9.486 7.799 1.00 65.33 C ATOM 1298 O GLU A 81 -4.638 10.444 8.514 1.00 63.21 O ATOM 1299 CB GLU A 81 -5.651 9.969 5.466 1.00 71.05 C ATOM 1300 CG GLU A 81 -5.307 10.251 3.996 1.00 40.10 C ATOM 1301 CD GLU A 81 -4.198 11.302 3.795 1.00 13.04 C ATOM 1302 OE1 GLU A 81 -4.392 12.473 4.206 1.00 60.51 O ATOM 1303 OE2 GLU A 81 -3.120 10.957 3.249 1.00 72.44 O ATOM 0 H GLU A 81 -4.471 7.724 5.248 1.00 73.31 H new ATOM 0 HA GLU A 81 -3.656 10.260 6.197 1.00 20.04 H new ATOM 0 HB2 GLU A 81 -6.415 9.192 5.504 1.00 71.05 H new ATOM 0 HB3 GLU A 81 -6.088 10.867 5.901 1.00 71.05 H new ATOM 0 HG2 GLU A 81 -4.999 9.319 3.522 1.00 40.10 H new ATOM 0 HG3 GLU A 81 -6.208 10.587 3.482 1.00 40.10 H new ATOM 1310 N GLN A 82 -5.502 8.353 8.219 1.00 23.22 N ATOM 1311 CA GLN A 82 -5.933 8.138 9.630 1.00 33.04 C ATOM 1312 C GLN A 82 -4.748 8.317 10.573 1.00 32.22 C ATOM 1313 O GLN A 82 -4.821 9.091 11.512 1.00 3.34 O ATOM 1314 CB GLN A 82 -6.560 6.724 9.855 1.00 71.21 C ATOM 1315 CG GLN A 82 -7.826 6.441 9.027 1.00 20.23 C ATOM 1316 CD GLN A 82 -9.010 7.363 9.353 1.00 31.24 C ATOM 1317 OE1 GLN A 82 -9.206 7.773 10.506 1.00 63.23 O ATOM 1318 NE2 GLN A 82 -9.789 7.722 8.337 1.00 41.55 N ATOM 0 H GLN A 82 -5.719 7.572 7.600 1.00 23.22 H new ATOM 0 HA GLN A 82 -6.702 8.881 9.843 1.00 33.04 H new ATOM 0 HB2 GLN A 82 -5.811 5.968 9.618 1.00 71.21 H new ATOM 0 HB3 GLN A 82 -6.802 6.613 10.912 1.00 71.21 H new ATOM 0 HG2 GLN A 82 -7.584 6.539 7.969 1.00 20.23 H new ATOM 0 HG3 GLN A 82 -8.130 5.407 9.190 1.00 20.23 H new ATOM 0 HE21 GLN A 82 -9.601 7.367 7.400 1.00 41.55 H new ATOM 0 HE22 GLN A 82 -10.575 8.353 8.495 1.00 41.55 H new ATOM 1327 N LEU A 83 -3.648 7.622 10.250 1.00 21.12 N ATOM 1328 CA LEU A 83 -2.399 7.662 11.033 1.00 12.43 C ATOM 1329 C LEU A 83 -1.867 9.087 11.168 1.00 33.52 C ATOM 1330 O LEU A 83 -1.579 9.534 12.269 1.00 70.23 O ATOM 1331 CB LEU A 83 -1.331 6.766 10.366 1.00 64.21 C ATOM 1332 CG LEU A 83 -1.669 5.252 10.272 1.00 65.25 C ATOM 1333 CD1 LEU A 83 -0.588 4.516 9.465 1.00 34.11 C ATOM 1334 CD2 LEU A 83 -1.835 4.622 11.672 1.00 5.44 C ATOM 0 H LEU A 83 -3.597 7.012 9.434 1.00 21.12 H new ATOM 0 HA LEU A 83 -2.619 7.289 12.033 1.00 12.43 H new ATOM 0 HB2 LEU A 83 -1.150 7.140 9.358 1.00 64.21 H new ATOM 0 HB3 LEU A 83 -0.398 6.875 10.919 1.00 64.21 H new ATOM 0 HG LEU A 83 -2.623 5.150 9.754 1.00 65.25 H new ATOM 0 HD11 LEU A 83 -0.836 3.456 9.406 1.00 34.11 H new ATOM 0 HD12 LEU A 83 -0.538 4.933 8.459 1.00 34.11 H new ATOM 0 HD13 LEU A 83 0.378 4.636 9.956 1.00 34.11 H new ATOM 0 HD21 LEU A 83 -2.071 3.563 11.569 1.00 5.44 H new ATOM 0 HD22 LEU A 83 -0.908 4.734 12.234 1.00 5.44 H new ATOM 0 HD23 LEU A 83 -2.644 5.124 12.203 1.00 5.44 H new ATOM 1346 N LYS A 84 -1.789 9.801 10.034 1.00 44.05 N ATOM 1347 CA LYS A 84 -1.253 11.180 9.998 1.00 5.22 C ATOM 1348 C LYS A 84 -2.245 12.190 10.616 1.00 45.45 C ATOM 1349 O LYS A 84 -1.839 13.272 11.042 1.00 73.24 O ATOM 1350 CB LYS A 84 -0.875 11.577 8.548 1.00 30.33 C ATOM 1351 CG LYS A 84 0.225 10.699 7.915 1.00 75.14 C ATOM 1352 CD LYS A 84 0.642 11.134 6.485 1.00 14.01 C ATOM 1353 CE LYS A 84 -0.483 10.994 5.429 1.00 3.42 C ATOM 1354 NZ LYS A 84 -1.494 12.097 5.474 1.00 41.02 N ATOM 0 H LYS A 84 -2.090 9.449 9.125 1.00 44.05 H new ATOM 0 HA LYS A 84 -0.349 11.206 10.606 1.00 5.22 H new ATOM 0 HB2 LYS A 84 -1.768 11.525 7.925 1.00 30.33 H new ATOM 0 HB3 LYS A 84 -0.543 12.615 8.543 1.00 30.33 H new ATOM 0 HG2 LYS A 84 1.104 10.717 8.559 1.00 75.14 H new ATOM 0 HG3 LYS A 84 -0.124 9.667 7.881 1.00 75.14 H new ATOM 0 HD2 LYS A 84 0.971 12.173 6.514 1.00 14.01 H new ATOM 0 HD3 LYS A 84 1.498 10.537 6.170 1.00 14.01 H new ATOM 0 HE2 LYS A 84 -0.035 10.965 4.436 1.00 3.42 H new ATOM 0 HE3 LYS A 84 -0.991 10.041 5.577 1.00 3.42 H new ATOM 0 HZ1 LYS A 84 -1.795 12.332 4.507 1.00 41.02 H new ATOM 0 HZ2 LYS A 84 -2.319 11.789 6.028 1.00 41.02 H new ATOM 0 HZ3 LYS A 84 -1.072 12.937 5.919 1.00 41.02 H new ATOM 1368 N ALA A 85 -3.534 11.811 10.672 1.00 0.42 N ATOM 1369 CA ALA A 85 -4.601 12.640 11.271 1.00 34.43 C ATOM 1370 C ALA A 85 -4.611 12.513 12.799 1.00 64.44 C ATOM 1371 O ALA A 85 -4.903 13.481 13.503 1.00 33.34 O ATOM 1372 CB ALA A 85 -5.972 12.241 10.711 1.00 61.40 C ATOM 0 H ALA A 85 -3.868 10.921 10.303 1.00 0.42 H new ATOM 0 HA ALA A 85 -4.396 13.679 11.011 1.00 34.43 H new ATOM 0 HB1 ALA A 85 -6.745 12.862 11.164 1.00 61.40 H new ATOM 0 HB2 ALA A 85 -5.979 12.383 9.630 1.00 61.40 H new ATOM 0 HB3 ALA A 85 -6.168 11.194 10.940 1.00 61.40 H new ATOM 1378 N GLU A 86 -4.309 11.300 13.300 1.00 54.50 N ATOM 1379 CA GLU A 86 -4.243 11.036 14.751 1.00 11.13 C ATOM 1380 C GLU A 86 -2.892 11.504 15.307 1.00 73.10 C ATOM 1381 O GLU A 86 -2.798 11.947 16.451 1.00 1.54 O ATOM 1382 CB GLU A 86 -4.435 9.528 15.056 1.00 3.15 C ATOM 1383 CG GLU A 86 -5.707 8.885 14.468 1.00 55.23 C ATOM 1384 CD GLU A 86 -7.012 9.601 14.849 1.00 44.21 C ATOM 1385 OE1 GLU A 86 -7.566 9.314 15.930 1.00 53.12 O ATOM 1386 OE2 GLU A 86 -7.496 10.453 14.068 1.00 55.23 O ATOM 0 H GLU A 86 -4.106 10.486 12.720 1.00 54.50 H new ATOM 0 HA GLU A 86 -5.050 11.590 15.231 1.00 11.13 H new ATOM 0 HB2 GLU A 86 -3.568 8.986 14.678 1.00 3.15 H new ATOM 0 HB3 GLU A 86 -4.448 9.393 16.138 1.00 3.15 H new ATOM 0 HG2 GLU A 86 -5.621 8.865 13.382 1.00 55.23 H new ATOM 0 HG3 GLU A 86 -5.764 7.849 14.802 1.00 55.23 H new ATOM 1393 N SER A 87 -1.850 11.368 14.485 1.00 24.31 N ATOM 1394 CA SER A 87 -0.492 11.855 14.794 1.00 41.11 C ATOM 1395 C SER A 87 -0.372 13.378 14.568 1.00 10.30 C ATOM 1396 O SER A 87 0.627 13.979 14.989 1.00 72.11 O ATOM 1397 CB SER A 87 0.539 11.081 13.937 1.00 51.14 C ATOM 1398 OG SER A 87 1.885 11.386 14.272 1.00 24.02 O ATOM 0 H SER A 87 -1.919 10.913 13.575 1.00 24.31 H new ATOM 0 HA SER A 87 -0.287 11.674 15.849 1.00 41.11 H new ATOM 0 HB2 SER A 87 0.374 10.011 14.060 1.00 51.14 H new ATOM 0 HB3 SER A 87 0.372 11.310 12.884 1.00 51.14 H new ATOM 0 HG SER A 87 1.933 12.294 14.638 1.00 24.02 H new ATOM 1404 N ALA A 88 -1.371 13.980 13.868 1.00 71.12 N ATOM 1405 CA ALA A 88 -1.407 15.434 13.579 1.00 13.21 C ATOM 1406 C ALA A 88 -1.222 16.270 14.857 1.00 55.24 C ATOM 1407 O ALA A 88 -1.874 16.018 15.870 1.00 2.53 O ATOM 1408 CB ALA A 88 -2.718 15.821 12.875 1.00 1.31 C ATOM 0 H ALA A 88 -2.170 13.470 13.491 1.00 71.12 H new ATOM 0 HA ALA A 88 -0.574 15.652 12.911 1.00 13.21 H new ATOM 0 HB1 ALA A 88 -2.720 16.892 12.674 1.00 1.31 H new ATOM 0 HB2 ALA A 88 -2.801 15.275 11.935 1.00 1.31 H new ATOM 0 HB3 ALA A 88 -3.563 15.570 13.516 1.00 1.31 H new ATOM 1414 N LEU A 89 -0.314 17.245 14.780 1.00 13.21 N ATOM 1415 CA LEU A 89 0.059 18.126 15.908 1.00 1.03 C ATOM 1416 C LEU A 89 -0.832 19.391 15.979 1.00 72.11 C ATOM 1417 O LEU A 89 -0.658 20.221 16.877 1.00 31.32 O ATOM 1418 CB LEU A 89 1.563 18.532 15.803 1.00 60.31 C ATOM 1419 CG LEU A 89 1.975 19.566 14.691 1.00 23.40 C ATOM 1420 CD1 LEU A 89 3.452 19.952 14.861 1.00 24.42 C ATOM 1421 CD2 LEU A 89 1.722 19.042 13.258 1.00 42.32 C ATOM 0 H LEU A 89 0.196 17.455 13.922 1.00 13.21 H new ATOM 0 HA LEU A 89 -0.100 17.562 16.827 1.00 1.03 H new ATOM 0 HB2 LEU A 89 1.866 18.940 16.767 1.00 60.31 H new ATOM 0 HB3 LEU A 89 2.144 17.623 15.645 1.00 60.31 H new ATOM 0 HG LEU A 89 1.343 20.444 14.820 1.00 23.40 H new ATOM 0 HD11 LEU A 89 3.732 20.668 14.088 1.00 24.42 H new ATOM 0 HD12 LEU A 89 3.600 20.401 15.843 1.00 24.42 H new ATOM 0 HD13 LEU A 89 4.073 19.061 14.772 1.00 24.42 H new ATOM 0 HD21 LEU A 89 2.026 19.799 12.535 1.00 42.32 H new ATOM 0 HD22 LEU A 89 2.300 18.133 13.096 1.00 42.32 H new ATOM 0 HD23 LEU A 89 0.661 18.825 13.132 1.00 42.32 H new ATOM 1433 N GLU A 90 -1.754 19.538 15.011 1.00 73.33 N ATOM 1434 CA GLU A 90 -2.613 20.725 14.867 1.00 4.31 C ATOM 1435 C GLU A 90 -3.825 20.640 15.843 1.00 25.20 C ATOM 1436 O GLU A 90 -4.845 20.021 15.485 1.00 34.44 O ATOM 1437 CB GLU A 90 -3.065 20.843 13.376 1.00 42.31 C ATOM 1438 CG GLU A 90 -1.906 20.987 12.369 1.00 62.31 C ATOM 1439 CD GLU A 90 -2.368 21.018 10.907 1.00 4.43 C ATOM 1440 OE1 GLU A 90 -2.958 22.035 10.476 1.00 23.55 O ATOM 1441 OE2 GLU A 90 -2.162 20.021 10.184 1.00 52.44 O ATOM 1442 OXT GLU A 90 -3.741 21.186 16.972 1.00 37.38 O ATOM 0 H GLU A 90 -1.925 18.828 14.299 1.00 73.33 H new ATOM 0 HA GLU A 90 -2.058 21.626 15.131 1.00 4.31 H new ATOM 0 HB2 GLU A 90 -3.649 19.961 13.115 1.00 42.31 H new ATOM 0 HB3 GLU A 90 -3.726 21.704 13.276 1.00 42.31 H new ATOM 0 HG2 GLU A 90 -1.356 21.902 12.588 1.00 62.31 H new ATOM 0 HG3 GLU A 90 -1.211 20.158 12.505 1.00 62.31 H new TER 1449 GLU A 90 HETATM 1450 P24 4EM A 101 2.820 -14.689 6.811 1.00 15.25 P HETATM 1451 O25 4EM A 101 2.586 -15.959 6.084 1.00 71.13 O HETATM 1452 O26 4EM A 101 4.036 -14.655 7.676 1.00 4.15 O HETATM 1453 O27 4EM A 101 1.531 -14.289 7.667 1.00 60.45 O HETATM 1454 C28 4EM A 101 1.565 -13.115 8.477 1.00 45.25 C HETATM 1455 C29 4EM A 101 0.469 -13.153 9.553 1.00 4.33 C HETATM 1456 C30 4EM A 101 -0.897 -13.254 8.865 1.00 42.30 C HETATM 1457 C31 4EM A 101 0.545 -11.857 10.369 1.00 0.10 C HETATM 1458 C32 4EM A 101 0.692 -14.380 10.455 1.00 74.32 C HETATM 1459 O33 4EM A 101 2.023 -14.331 11.030 1.00 3.23 O HETATM 1460 C34 4EM A 101 -0.335 -14.460 11.606 1.00 20.53 C HETATM 1461 O35 4EM A 101 -1.364 -15.144 11.516 1.00 43.34 O HETATM 1462 N36 4EM A 101 -0.017 -13.750 12.685 1.00 71.32 N HETATM 1463 C37 4EM A 101 -0.782 -13.636 13.929 1.00 41.41 C HETATM 1464 C38 4EM A 101 -1.506 -12.290 14.113 1.00 50.52 C HETATM 1465 C39 4EM A 101 -2.657 -11.973 13.133 1.00 14.45 C HETATM 1466 O40 4EM A 101 -3.476 -12.852 12.830 1.00 63.02 O HETATM 1467 N41 4EM A 101 -2.721 -10.703 12.657 1.00 30.54 N HETATM 1468 C42 4EM A 101 -3.768 -10.188 11.739 1.00 61.21 C HETATM 1469 C43 4EM A 101 -3.878 -10.849 10.368 1.00 71.35 C HETATM 1470 N44 4EM A 101 -2.782 -10.704 9.606 1.00 13.40 N HETATM 1471 C45 4EM A 101 -2.866 -10.292 8.333 1.00 32.14 C HETATM 1472 O46 4EM A 101 -3.923 -9.998 7.781 1.00 72.33 O HETATM 1473 C47 4EM A 101 -1.721 -10.185 7.672 1.00 24.11 C HETATM 1474 C49 4EM A 101 -1.589 -10.394 6.363 1.00 22.34 C HETATM 1475 C51 4EM A 101 -0.287 -10.346 6.095 1.00 72.54 C HETATM 1476 C50 4EM A 101 0.368 -10.106 7.228 1.00 42.54 C HETATM 1477 N48 4EM A 101 -0.521 -10.005 8.211 1.00 22.35 N