USER MOD reduce.3.24.130724 H: found=0, std=0, add=1027, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1027 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 73 THR OG1 : rot 107:sc= 1.36 USER MOD Set 1.2: A 75 THR OG1 : rot 180:sc= 0.709 USER MOD Set 1.3: A 96 LYS NZ :NH3+ -130:sc= 0.569 (180deg=0) USER MOD Set 2.1: A 85 MET CE :methyl 145:sc= -0.424 (180deg=-0.855) USER MOD Set 2.2: A 91 MET CE :methyl -147:sc= -4.25! (180deg=-4.93!) USER MOD Set 3.1: A 51 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 60 HIS : no HD1:sc= -0.186 K(o=-0.19,f=-2.8!) USER MOD Set 4.1: A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 64 THR OG1 : rot 180:sc= -0.257 USER MOD Set 5.1: A 39 SER OG : rot 44:sc= 1.38 USER MOD Set 5.2: A 124 SER OG : rot -136:sc= -0.221 USER MOD Set 6.1: A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 6.2: A 22 MET CE :methyl 159:sc= -0.24 (180deg=-0.901) USER MOD Set 7.1: A 8 GLN : amide:sc= -1.12! X(o=-0.35!,f=0.11) USER MOD Set 7.2: A 10 GLN : amide:sc= 0.776 X(o=-0.35,f=0.11) USER MOD Single : A 1 MET CE :methyl 157:sc= -0.243 (180deg=-1.04) USER MOD Single : A 1 MET N :NH3+ -179:sc= -0.133 (180deg=-0.136) USER MOD Single : A 2 ASN : amide:sc= -0.265 X(o=-0.26,f=-0.71) USER MOD Single : A 4 SER OG : rot 180:sc= -0.0781 USER MOD Single : A 6 LYS NZ :NH3+ 137:sc= 1.26 (180deg=1.03) USER MOD Single : A 7 TYR OH : rot 30:sc= -0.626 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -3.66! C(o=-3.7!,f=-5.5!) USER MOD Single : A 14 ASN : amide:sc= -0.121 K(o=-0.12,f=-0.92) USER MOD Single : A 20 LYS NZ :NH3+ -167:sc=-0.00768 (180deg=-0.121) USER MOD Single : A 30 GLN : amide:sc= -0.305 K(o=-0.31,f=-1.2) USER MOD Single : A 31 LYS NZ :NH3+ 168:sc= -0.0232 (180deg=-0.167) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 156:sc= -0.709 (180deg=-1.38) USER MOD Single : A 43 HIS : +bothHN:sc= -0.682 K(o=-0.68,f=-3.7!) USER MOD Single : A 46 LYS NZ :NH3+ 129:sc= 0.0341 (180deg=-0.116) USER MOD Single : A 49 LYS NZ :NH3+ 175:sc= 0.698 (180deg=0.576) USER MOD Single : A 53 THR OG1 : rot 74:sc= 0.288 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.327 K(o=-0.33,f=-1.5!) USER MOD Single : A 69 CYS SG : rot -62:sc= -2.93! USER MOD Single : A 74 MET CE :methyl -166:sc= -0.0676 (180deg=-0.467) USER MOD Single : A 78 LYS NZ :NH3+ -176:sc= 1.23 (180deg=1.17) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 168:sc= -0.0159 (180deg=-0.169) USER MOD Single : A 89 ASN : amide:sc= -1.25! X(o=-1.3!,f=-0.84) USER MOD Single : A 90 LYS NZ :NH3+ 162:sc= 0.0238 (180deg=-0.158) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 92:sc= 1.2 USER MOD Single : A 105 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 108 THR OG1 : rot 33:sc= 1.22 USER MOD Single : A 110 THR OG1 : rot 170:sc= 0.934 USER MOD Single : A 111 ASN : amide:sc= -0.4! C(o=-0.4!,f=-6.1!) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 MET CE :methyl -174:sc= -0.217 (180deg=-0.308) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 TYR OH : rot 150:sc= -0.31 USER MOD Single : A 121 LYS NZ :NH3+ 160:sc= -0.0681 (180deg=-0.479) USER MOD Single : A 125 LYS NZ :NH3+ -154:sc= 1.17 (180deg=1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.796 -17.167 5.967 1.00 0.00 N ATOM 2 CA MET A 1 9.032 -16.367 4.980 1.00 0.00 C ATOM 3 C MET A 1 7.869 -15.631 5.637 1.00 0.00 C ATOM 4 O MET A 1 7.018 -15.047 4.956 1.00 0.00 O ATOM 5 CB MET A 1 8.510 -17.256 3.850 1.00 0.00 C ATOM 6 CG MET A 1 9.598 -17.764 2.918 1.00 0.00 C ATOM 7 SD MET A 1 8.939 -18.739 1.553 1.00 0.00 S ATOM 8 CE MET A 1 7.857 -17.534 0.785 1.00 0.00 C ATOM 0 H1 MET A 1 10.590 -17.641 5.490 1.00 0.00 H new ATOM 0 H2 MET A 1 10.164 -16.541 6.712 1.00 0.00 H new ATOM 0 H3 MET A 1 9.172 -17.881 6.393 1.00 0.00 H new ATOM 0 HA MET A 1 9.715 -15.626 4.565 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.988 -18.109 4.283 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.778 -16.696 3.268 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.155 -16.916 2.519 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.304 -18.370 3.486 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.694 -17.804 -0.258 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.902 -17.517 1.309 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.317 -16.547 0.836 1.00 0.00 H new ATOM 20 N ASN A 2 7.816 -15.655 6.960 1.00 0.00 N ATOM 21 CA ASN A 2 6.841 -14.857 7.682 1.00 0.00 C ATOM 22 C ASN A 2 7.326 -13.420 7.747 1.00 0.00 C ATOM 23 O ASN A 2 8.040 -13.025 8.667 1.00 0.00 O ATOM 24 CB ASN A 2 6.569 -15.440 9.081 1.00 0.00 C ATOM 25 CG ASN A 2 7.825 -15.881 9.815 1.00 0.00 C ATOM 26 OD1 ASN A 2 8.312 -16.996 9.612 1.00 0.00 O ATOM 27 ND2 ASN A 2 8.341 -15.037 10.692 1.00 0.00 N ATOM 0 H ASN A 2 8.432 -16.214 7.550 1.00 0.00 H new ATOM 0 HA ASN A 2 5.889 -14.879 7.151 1.00 0.00 H new ATOM 0 HB2 ASN A 2 6.051 -14.692 9.682 1.00 0.00 H new ATOM 0 HB3 ASN A 2 5.897 -16.293 8.985 1.00 0.00 H new ATOM 0 HD21 ASN A 2 9.169 -15.300 11.227 1.00 0.00 H new ATOM 0 HD22 ASN A 2 7.911 -14.123 10.834 1.00 0.00 H new ATOM 34 N PHE A 3 6.942 -12.649 6.731 1.00 0.00 N ATOM 35 CA PHE A 3 7.381 -11.267 6.585 1.00 0.00 C ATOM 36 C PHE A 3 6.727 -10.372 7.622 1.00 0.00 C ATOM 37 O PHE A 3 5.788 -9.643 7.315 1.00 0.00 O ATOM 38 CB PHE A 3 7.051 -10.733 5.187 1.00 0.00 C ATOM 39 CG PHE A 3 7.642 -11.530 4.060 1.00 0.00 C ATOM 40 CD1 PHE A 3 8.997 -11.463 3.779 1.00 0.00 C ATOM 41 CD2 PHE A 3 6.838 -12.341 3.277 1.00 0.00 C ATOM 42 CE1 PHE A 3 9.538 -12.190 2.738 1.00 0.00 C ATOM 43 CE2 PHE A 3 7.373 -13.070 2.233 1.00 0.00 C ATOM 44 CZ PHE A 3 8.726 -12.995 1.964 1.00 0.00 C ATOM 0 H PHE A 3 6.319 -12.966 5.988 1.00 0.00 H new ATOM 0 HA PHE A 3 8.461 -11.255 6.732 1.00 0.00 H new ATOM 0 HB2 PHE A 3 5.968 -10.707 5.068 1.00 0.00 H new ATOM 0 HB3 PHE A 3 7.404 -9.705 5.112 1.00 0.00 H new ATOM 0 HD1 PHE A 3 9.637 -10.835 4.381 1.00 0.00 H new ATOM 0 HD2 PHE A 3 5.780 -12.404 3.485 1.00 0.00 H new ATOM 0 HE1 PHE A 3 10.596 -12.129 2.529 1.00 0.00 H new ATOM 0 HE2 PHE A 3 6.735 -13.697 1.628 1.00 0.00 H new ATOM 0 HZ PHE A 3 9.148 -13.565 1.150 1.00 0.00 H new ATOM 54 N SER A 4 7.192 -10.474 8.848 1.00 0.00 N ATOM 55 CA SER A 4 6.771 -9.583 9.901 1.00 0.00 C ATOM 56 C SER A 4 7.877 -8.608 10.272 1.00 0.00 C ATOM 57 O SER A 4 9.063 -8.948 10.279 1.00 0.00 O ATOM 58 CB SER A 4 6.285 -10.370 11.114 1.00 0.00 C ATOM 59 OG SER A 4 6.409 -9.624 12.313 1.00 0.00 O ATOM 0 H SER A 4 7.871 -11.176 9.140 1.00 0.00 H new ATOM 0 HA SER A 4 5.932 -8.994 9.531 1.00 0.00 H new ATOM 0 HB2 SER A 4 5.242 -10.653 10.969 1.00 0.00 H new ATOM 0 HB3 SER A 4 6.857 -11.294 11.200 1.00 0.00 H new ATOM 0 HG SER A 4 6.086 -10.160 13.067 1.00 0.00 H new ATOM 65 N GLY A 5 7.458 -7.392 10.551 1.00 0.00 N ATOM 66 CA GLY A 5 8.358 -6.308 10.850 1.00 0.00 C ATOM 67 C GLY A 5 7.708 -4.988 10.511 1.00 0.00 C ATOM 68 O GLY A 5 6.504 -4.935 10.257 1.00 0.00 O ATOM 0 H GLY A 5 6.473 -7.130 10.576 1.00 0.00 H new ATOM 0 HA2 GLY A 5 8.628 -6.329 11.906 1.00 0.00 H new ATOM 0 HA3 GLY A 5 9.281 -6.424 10.283 1.00 0.00 H new ATOM 72 N LYS A 6 8.481 -3.926 10.491 1.00 0.00 N ATOM 73 CA LYS A 6 7.950 -2.617 10.162 1.00 0.00 C ATOM 74 C LYS A 6 8.713 -2.060 8.960 1.00 0.00 C ATOM 75 O LYS A 6 9.939 -2.178 8.897 1.00 0.00 O ATOM 76 CB LYS A 6 8.121 -1.682 11.355 1.00 0.00 C ATOM 77 CG LYS A 6 7.167 -0.514 11.386 1.00 0.00 C ATOM 78 CD LYS A 6 5.891 -0.852 12.116 1.00 0.00 C ATOM 79 CE LYS A 6 5.606 0.158 13.198 1.00 0.00 C ATOM 80 NZ LYS A 6 4.247 -0.017 13.776 1.00 0.00 N ATOM 0 H LYS A 6 9.480 -3.940 10.698 1.00 0.00 H new ATOM 0 HA LYS A 6 6.890 -2.698 9.920 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.997 -2.259 12.271 1.00 0.00 H new ATOM 0 HB3 LYS A 6 9.142 -1.299 11.355 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.648 0.336 11.870 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.932 -0.209 10.366 1.00 0.00 H new ATOM 0 HD2 LYS A 6 5.060 -0.879 11.411 1.00 0.00 H new ATOM 0 HD3 LYS A 6 5.971 -1.847 12.554 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.351 0.064 13.988 1.00 0.00 H new ATOM 0 HE3 LYS A 6 5.700 1.164 12.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 4.296 0.074 14.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 3.611 0.711 13.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 3.883 -0.959 13.528 1.00 0.00 H new ATOM 94 N TYR A 7 8.007 -1.472 8.006 1.00 0.00 N ATOM 95 CA TYR A 7 8.646 -0.915 6.817 1.00 0.00 C ATOM 96 C TYR A 7 8.193 0.523 6.590 1.00 0.00 C ATOM 97 O TYR A 7 7.030 0.790 6.343 1.00 0.00 O ATOM 98 CB TYR A 7 8.317 -1.759 5.582 1.00 0.00 C ATOM 99 CG TYR A 7 8.728 -3.204 5.711 1.00 0.00 C ATOM 100 CD1 TYR A 7 7.981 -4.077 6.481 1.00 0.00 C ATOM 101 CD2 TYR A 7 9.856 -3.692 5.073 1.00 0.00 C ATOM 102 CE1 TYR A 7 8.343 -5.400 6.620 1.00 0.00 C ATOM 103 CE2 TYR A 7 10.227 -5.016 5.200 1.00 0.00 C ATOM 104 CZ TYR A 7 9.468 -5.866 5.979 1.00 0.00 C ATOM 105 OH TYR A 7 9.839 -7.185 6.120 1.00 0.00 O ATOM 0 H TYR A 7 6.993 -1.367 8.029 1.00 0.00 H new ATOM 0 HA TYR A 7 9.724 -0.927 6.977 1.00 0.00 H new ATOM 0 HB2 TYR A 7 7.244 -1.710 5.394 1.00 0.00 H new ATOM 0 HB3 TYR A 7 8.812 -1.325 4.713 1.00 0.00 H new ATOM 0 HD1 TYR A 7 7.096 -3.715 6.984 1.00 0.00 H new ATOM 0 HD2 TYR A 7 10.454 -3.027 4.467 1.00 0.00 H new ATOM 0 HE1 TYR A 7 7.748 -6.066 7.228 1.00 0.00 H new ATOM 0 HE2 TYR A 7 11.106 -5.385 4.693 1.00 0.00 H new ATOM 0 HH TYR A 7 9.041 -7.736 6.263 1.00 0.00 H new ATOM 115 N GLN A 8 9.126 1.436 6.676 1.00 0.00 N ATOM 116 CA GLN A 8 8.864 2.847 6.521 1.00 0.00 C ATOM 117 C GLN A 8 9.170 3.278 5.085 1.00 0.00 C ATOM 118 O GLN A 8 10.272 3.053 4.593 1.00 0.00 O ATOM 119 CB GLN A 8 9.740 3.565 7.545 1.00 0.00 C ATOM 120 CG GLN A 8 9.477 5.036 7.723 1.00 0.00 C ATOM 121 CD GLN A 8 10.470 5.938 7.009 1.00 0.00 C ATOM 122 OE1 GLN A 8 10.708 7.070 7.430 1.00 0.00 O ATOM 123 NE2 GLN A 8 11.073 5.443 5.946 1.00 0.00 N ATOM 0 H GLN A 8 10.106 1.218 6.859 1.00 0.00 H new ATOM 0 HA GLN A 8 7.817 3.094 6.697 1.00 0.00 H new ATOM 0 HB2 GLN A 8 9.613 3.074 8.510 1.00 0.00 H new ATOM 0 HB3 GLN A 8 10.783 3.435 7.256 1.00 0.00 H new ATOM 0 HG2 GLN A 8 8.474 5.261 7.361 1.00 0.00 H new ATOM 0 HG3 GLN A 8 9.491 5.270 8.788 1.00 0.00 H new ATOM 0 HE21 GLN A 8 10.850 4.500 5.626 1.00 0.00 H new ATOM 0 HE22 GLN A 8 11.762 6.003 5.444 1.00 0.00 H new ATOM 132 N VAL A 9 8.188 3.880 4.417 1.00 0.00 N ATOM 133 CA VAL A 9 8.319 4.251 3.006 1.00 0.00 C ATOM 134 C VAL A 9 9.447 5.255 2.784 1.00 0.00 C ATOM 135 O VAL A 9 9.585 6.235 3.517 1.00 0.00 O ATOM 136 CB VAL A 9 7.014 4.855 2.449 1.00 0.00 C ATOM 137 CG1 VAL A 9 7.096 5.014 0.939 1.00 0.00 C ATOM 138 CG2 VAL A 9 5.817 4.009 2.826 1.00 0.00 C ATOM 0 H VAL A 9 7.288 4.123 4.831 1.00 0.00 H new ATOM 0 HA VAL A 9 8.547 3.326 2.476 1.00 0.00 H new ATOM 0 HB VAL A 9 6.887 5.841 2.895 1.00 0.00 H new ATOM 0 HG11 VAL A 9 6.165 5.442 0.567 1.00 0.00 H new ATOM 0 HG12 VAL A 9 7.925 5.675 0.687 1.00 0.00 H new ATOM 0 HG13 VAL A 9 7.257 4.039 0.479 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.911 4.459 2.420 1.00 0.00 H new ATOM 0 HG22 VAL A 9 5.938 3.005 2.418 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.739 3.953 3.912 1.00 0.00 H new ATOM 148 N GLN A 10 10.232 4.996 1.755 1.00 0.00 N ATOM 149 CA GLN A 10 11.329 5.861 1.367 1.00 0.00 C ATOM 150 C GLN A 10 10.982 6.622 0.115 1.00 0.00 C ATOM 151 O GLN A 10 10.780 7.827 0.133 1.00 0.00 O ATOM 152 CB GLN A 10 12.597 5.055 1.097 1.00 0.00 C ATOM 153 CG GLN A 10 13.221 4.415 2.297 1.00 0.00 C ATOM 154 CD GLN A 10 13.746 5.430 3.294 1.00 0.00 C ATOM 155 OE1 GLN A 10 13.037 5.863 4.196 1.00 0.00 O ATOM 156 NE2 GLN A 10 14.999 5.824 3.128 1.00 0.00 N ATOM 0 H GLN A 10 10.125 4.174 1.161 1.00 0.00 H new ATOM 0 HA GLN A 10 11.503 6.551 2.193 1.00 0.00 H new ATOM 0 HB2 GLN A 10 12.364 4.276 0.371 1.00 0.00 H new ATOM 0 HB3 GLN A 10 13.333 5.712 0.634 1.00 0.00 H new ATOM 0 HG2 GLN A 10 12.486 3.777 2.787 1.00 0.00 H new ATOM 0 HG3 GLN A 10 14.039 3.770 1.976 1.00 0.00 H new ATOM 0 HE21 GLN A 10 15.557 5.441 2.365 1.00 0.00 H new ATOM 0 HE22 GLN A 10 15.406 6.511 3.763 1.00 0.00 H new ATOM 165 N SER A 11 10.913 5.906 -0.971 1.00 0.00 N ATOM 166 CA SER A 11 10.673 6.514 -2.240 1.00 0.00 C ATOM 167 C SER A 11 9.231 6.361 -2.600 1.00 0.00 C ATOM 168 O SER A 11 8.570 5.445 -2.146 1.00 0.00 O ATOM 169 CB SER A 11 11.528 5.866 -3.292 1.00 0.00 C ATOM 170 OG SER A 11 12.871 5.756 -2.854 1.00 0.00 O ATOM 0 H SER A 11 11.021 4.892 -0.998 1.00 0.00 H new ATOM 0 HA SER A 11 10.925 7.573 -2.183 1.00 0.00 H new ATOM 0 HB2 SER A 11 11.136 4.877 -3.527 1.00 0.00 H new ATOM 0 HB3 SER A 11 11.488 6.451 -4.211 1.00 0.00 H new ATOM 0 HG SER A 11 13.409 5.330 -3.553 1.00 0.00 H new ATOM 176 N GLN A 12 8.748 7.279 -3.381 1.00 0.00 N ATOM 177 CA GLN A 12 7.424 7.181 -3.948 1.00 0.00 C ATOM 178 C GLN A 12 7.411 7.914 -5.276 1.00 0.00 C ATOM 179 O GLN A 12 8.237 8.793 -5.524 1.00 0.00 O ATOM 180 CB GLN A 12 6.336 7.750 -3.031 1.00 0.00 C ATOM 181 CG GLN A 12 6.217 7.076 -1.666 1.00 0.00 C ATOM 182 CD GLN A 12 5.356 7.857 -0.690 1.00 0.00 C ATOM 183 OE1 GLN A 12 4.718 7.278 0.188 1.00 0.00 O ATOM 184 NE2 GLN A 12 5.332 9.174 -0.833 1.00 0.00 N ATOM 0 H GLN A 12 9.257 8.122 -3.648 1.00 0.00 H new ATOM 0 HA GLN A 12 7.196 6.123 -4.081 1.00 0.00 H new ATOM 0 HB2 GLN A 12 6.531 8.812 -2.878 1.00 0.00 H new ATOM 0 HB3 GLN A 12 5.376 7.672 -3.541 1.00 0.00 H new ATOM 0 HG2 GLN A 12 5.796 6.079 -1.795 1.00 0.00 H new ATOM 0 HG3 GLN A 12 7.213 6.949 -1.242 1.00 0.00 H new ATOM 0 HE21 GLN A 12 5.875 9.617 -1.574 1.00 0.00 H new ATOM 0 HE22 GLN A 12 4.770 9.745 -0.202 1.00 0.00 H new ATOM 193 N GLU A 13 6.476 7.547 -6.108 1.00 0.00 N ATOM 194 CA GLU A 13 6.360 8.109 -7.439 1.00 0.00 C ATOM 195 C GLU A 13 4.949 8.529 -7.722 1.00 0.00 C ATOM 196 O GLU A 13 4.007 7.977 -7.148 1.00 0.00 O ATOM 197 CB GLU A 13 6.725 7.111 -8.516 1.00 0.00 C ATOM 198 CG GLU A 13 8.184 6.765 -8.590 1.00 0.00 C ATOM 199 CD GLU A 13 9.064 7.955 -8.914 1.00 0.00 C ATOM 200 OE1 GLU A 13 8.672 8.777 -9.766 1.00 0.00 O ATOM 201 OE2 GLU A 13 10.153 8.076 -8.313 1.00 0.00 O ATOM 0 H GLU A 13 5.767 6.848 -5.888 1.00 0.00 H new ATOM 0 HA GLU A 13 7.045 8.957 -7.459 1.00 0.00 H new ATOM 0 HB2 GLU A 13 6.158 6.195 -8.350 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.412 7.509 -9.481 1.00 0.00 H new ATOM 0 HG2 GLU A 13 8.498 6.338 -7.638 1.00 0.00 H new ATOM 0 HG3 GLU A 13 8.330 5.996 -9.348 1.00 0.00 H new ATOM 208 N ASN A 14 4.825 9.491 -8.620 1.00 0.00 N ATOM 209 CA ASN A 14 3.555 9.826 -9.230 1.00 0.00 C ATOM 210 C ASN A 14 2.473 10.079 -8.189 1.00 0.00 C ATOM 211 O ASN A 14 1.300 9.773 -8.403 1.00 0.00 O ATOM 212 CB ASN A 14 3.134 8.713 -10.191 1.00 0.00 C ATOM 213 CG ASN A 14 3.855 8.782 -11.524 1.00 0.00 C ATOM 214 OD1 ASN A 14 4.990 9.250 -11.615 1.00 0.00 O ATOM 215 ND2 ASN A 14 3.200 8.306 -12.566 1.00 0.00 N ATOM 0 H ASN A 14 5.605 10.062 -8.946 1.00 0.00 H new ATOM 0 HA ASN A 14 3.682 10.754 -9.788 1.00 0.00 H new ATOM 0 HB2 ASN A 14 3.329 7.746 -9.727 1.00 0.00 H new ATOM 0 HB3 ASN A 14 2.059 8.774 -10.361 1.00 0.00 H new ATOM 0 HD21 ASN A 14 3.633 8.317 -13.489 1.00 0.00 H new ATOM 0 HD22 ASN A 14 2.261 7.927 -12.448 1.00 0.00 H new ATOM 222 N PHE A 15 2.876 10.659 -7.074 1.00 0.00 N ATOM 223 CA PHE A 15 1.956 10.966 -5.994 1.00 0.00 C ATOM 224 C PHE A 15 1.072 12.128 -6.403 1.00 0.00 C ATOM 225 O PHE A 15 -0.131 12.133 -6.148 1.00 0.00 O ATOM 226 CB PHE A 15 2.729 11.300 -4.711 1.00 0.00 C ATOM 227 CG PHE A 15 1.864 11.802 -3.581 1.00 0.00 C ATOM 228 CD1 PHE A 15 1.459 13.130 -3.534 1.00 0.00 C ATOM 229 CD2 PHE A 15 1.454 10.949 -2.570 1.00 0.00 C ATOM 230 CE1 PHE A 15 0.664 13.593 -2.508 1.00 0.00 C ATOM 231 CE2 PHE A 15 0.658 11.406 -1.537 1.00 0.00 C ATOM 232 CZ PHE A 15 0.261 12.729 -1.505 1.00 0.00 C ATOM 0 H PHE A 15 3.843 10.929 -6.892 1.00 0.00 H new ATOM 0 HA PHE A 15 1.331 10.096 -5.794 1.00 0.00 H new ATOM 0 HB2 PHE A 15 3.261 10.409 -4.378 1.00 0.00 H new ATOM 0 HB3 PHE A 15 3.482 12.054 -4.940 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.772 13.810 -4.313 1.00 0.00 H new ATOM 0 HD2 PHE A 15 1.760 9.914 -2.589 1.00 0.00 H new ATOM 0 HE1 PHE A 15 0.356 14.628 -2.487 1.00 0.00 H new ATOM 0 HE2 PHE A 15 0.346 10.729 -0.755 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.362 13.088 -0.699 1.00 0.00 H new ATOM 242 N GLU A 16 1.687 13.106 -7.051 1.00 0.00 N ATOM 243 CA GLU A 16 0.989 14.300 -7.496 1.00 0.00 C ATOM 244 C GLU A 16 -0.135 13.939 -8.434 1.00 0.00 C ATOM 245 O GLU A 16 -1.277 14.235 -8.159 1.00 0.00 O ATOM 246 CB GLU A 16 1.948 15.268 -8.189 1.00 0.00 C ATOM 247 CG GLU A 16 3.311 15.273 -7.553 1.00 0.00 C ATOM 248 CD GLU A 16 4.324 14.406 -8.275 1.00 0.00 C ATOM 249 OE1 GLU A 16 4.207 13.163 -8.198 1.00 0.00 O ATOM 250 OE2 GLU A 16 5.247 14.964 -8.907 1.00 0.00 O ATOM 0 H GLU A 16 2.680 13.093 -7.282 1.00 0.00 H new ATOM 0 HA GLU A 16 0.574 14.790 -6.615 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.041 14.994 -9.240 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.531 16.275 -8.157 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.682 16.297 -7.518 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.222 14.931 -6.522 1.00 0.00 H new ATOM 257 N PRO A 17 0.160 13.264 -9.543 1.00 0.00 N ATOM 258 CA PRO A 17 -0.855 12.937 -10.529 1.00 0.00 C ATOM 259 C PRO A 17 -1.953 12.068 -9.935 1.00 0.00 C ATOM 260 O PRO A 17 -3.114 12.158 -10.330 1.00 0.00 O ATOM 261 CB PRO A 17 -0.109 12.183 -11.608 1.00 0.00 C ATOM 262 CG PRO A 17 1.171 11.745 -10.983 1.00 0.00 C ATOM 263 CD PRO A 17 1.479 12.728 -9.891 1.00 0.00 C ATOM 0 HA PRO A 17 -1.352 13.831 -10.906 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -0.686 11.327 -11.958 1.00 0.00 H new ATOM 0 HB3 PRO A 17 0.076 12.819 -12.474 1.00 0.00 H new ATOM 0 HG2 PRO A 17 1.079 10.736 -10.580 1.00 0.00 H new ATOM 0 HG3 PRO A 17 1.973 11.722 -11.720 1.00 0.00 H new ATOM 0 HD2 PRO A 17 1.956 12.246 -9.038 1.00 0.00 H new ATOM 0 HD3 PRO A 17 2.155 13.512 -10.233 1.00 0.00 H new ATOM 271 N PHE A 18 -1.579 11.251 -8.960 1.00 0.00 N ATOM 272 CA PHE A 18 -2.530 10.382 -8.293 1.00 0.00 C ATOM 273 C PHE A 18 -3.445 11.194 -7.378 1.00 0.00 C ATOM 274 O PHE A 18 -4.666 11.103 -7.478 1.00 0.00 O ATOM 275 CB PHE A 18 -1.778 9.315 -7.489 1.00 0.00 C ATOM 276 CG PHE A 18 -2.680 8.333 -6.814 1.00 0.00 C ATOM 277 CD1 PHE A 18 -3.580 7.602 -7.557 1.00 0.00 C ATOM 278 CD2 PHE A 18 -2.643 8.152 -5.442 1.00 0.00 C ATOM 279 CE1 PHE A 18 -4.431 6.704 -6.958 1.00 0.00 C ATOM 280 CE2 PHE A 18 -3.494 7.253 -4.829 1.00 0.00 C ATOM 281 CZ PHE A 18 -4.393 6.528 -5.589 1.00 0.00 C ATOM 0 H PHE A 18 -0.622 11.174 -8.615 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.149 9.890 -9.044 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -1.103 8.778 -8.155 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -1.160 9.806 -6.737 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -3.618 7.736 -8.628 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -1.943 8.718 -4.846 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.128 6.137 -7.557 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -3.457 7.117 -3.758 1.00 0.00 H new ATOM 0 HZ PHE A 18 -5.063 5.827 -5.114 1.00 0.00 H new ATOM 291 N MET A 19 -2.850 12.015 -6.520 1.00 0.00 N ATOM 292 CA MET A 19 -3.606 12.880 -5.616 1.00 0.00 C ATOM 293 C MET A 19 -4.315 13.976 -6.381 1.00 0.00 C ATOM 294 O MET A 19 -5.386 14.414 -5.987 1.00 0.00 O ATOM 295 CB MET A 19 -2.690 13.481 -4.558 1.00 0.00 C ATOM 296 CG MET A 19 -2.646 12.663 -3.284 1.00 0.00 C ATOM 297 SD MET A 19 -4.079 12.936 -2.223 1.00 0.00 S ATOM 298 CE MET A 19 -3.634 11.943 -0.799 1.00 0.00 C ATOM 0 H MET A 19 -1.838 12.101 -6.430 1.00 0.00 H new ATOM 0 HA MET A 19 -4.359 12.269 -5.118 1.00 0.00 H new ATOM 0 HB2 MET A 19 -1.682 13.567 -4.964 1.00 0.00 H new ATOM 0 HB3 MET A 19 -3.027 14.491 -4.324 1.00 0.00 H new ATOM 0 HG2 MET A 19 -2.586 11.605 -3.540 1.00 0.00 H new ATOM 0 HG3 MET A 19 -1.739 12.909 -2.731 1.00 0.00 H new ATOM 0 HE1 MET A 19 -4.423 12.008 -0.050 1.00 0.00 H new ATOM 0 HE2 MET A 19 -3.508 10.904 -1.105 1.00 0.00 H new ATOM 0 HE3 MET A 19 -2.700 12.312 -0.375 1.00 0.00 H new ATOM 308 N LYS A 20 -3.724 14.410 -7.479 1.00 0.00 N ATOM 309 CA LYS A 20 -4.334 15.422 -8.319 1.00 0.00 C ATOM 310 C LYS A 20 -5.678 14.915 -8.781 1.00 0.00 C ATOM 311 O LYS A 20 -6.708 15.560 -8.566 1.00 0.00 O ATOM 312 CB LYS A 20 -3.443 15.684 -9.519 1.00 0.00 C ATOM 313 CG LYS A 20 -2.565 16.895 -9.364 1.00 0.00 C ATOM 314 CD LYS A 20 -1.288 16.713 -10.130 1.00 0.00 C ATOM 315 CE LYS A 20 -0.487 17.976 -10.142 1.00 0.00 C ATOM 316 NZ LYS A 20 -1.083 19.009 -11.033 1.00 0.00 N ATOM 0 H LYS A 20 -2.819 14.076 -7.810 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.460 16.350 -7.761 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.815 14.810 -9.692 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.067 15.809 -10.404 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.089 17.781 -9.722 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.344 17.060 -8.309 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.702 15.910 -9.682 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.513 16.411 -11.153 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.416 18.370 -9.128 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.529 17.757 -10.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.395 19.774 -11.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.331 18.578 -11.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.940 19.397 -10.590 1.00 0.00 H new ATOM 330 N ALA A 21 -5.652 13.678 -9.282 1.00 0.00 N ATOM 331 CA ALA A 21 -6.845 12.993 -9.736 1.00 0.00 C ATOM 332 C ALA A 21 -7.698 12.567 -8.555 1.00 0.00 C ATOM 333 O ALA A 21 -8.879 12.253 -8.692 1.00 0.00 O ATOM 334 CB ALA A 21 -6.477 11.807 -10.589 1.00 0.00 C ATOM 0 H ALA A 21 -4.798 13.130 -9.381 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.431 13.682 -10.344 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.384 11.303 -10.922 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.910 12.145 -11.457 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.870 11.114 -10.006 1.00 0.00 H new ATOM 340 N MET A 22 -7.070 12.562 -7.397 1.00 0.00 N ATOM 341 CA MET A 22 -7.741 12.268 -6.141 1.00 0.00 C ATOM 342 C MET A 22 -8.496 13.497 -5.659 1.00 0.00 C ATOM 343 O MET A 22 -9.344 13.422 -4.768 1.00 0.00 O ATOM 344 CB MET A 22 -6.720 11.800 -5.098 1.00 0.00 C ATOM 345 CG MET A 22 -6.494 10.305 -5.115 1.00 0.00 C ATOM 346 SD MET A 22 -5.487 9.739 -3.732 1.00 0.00 S ATOM 347 CE MET A 22 -6.550 10.157 -2.353 1.00 0.00 C ATOM 0 H MET A 22 -6.075 12.762 -7.297 1.00 0.00 H new ATOM 0 HA MET A 22 -8.461 11.464 -6.293 1.00 0.00 H new ATOM 0 HB2 MET A 22 -5.771 12.306 -5.275 1.00 0.00 H new ATOM 0 HB3 MET A 22 -7.060 12.098 -4.106 1.00 0.00 H new ATOM 0 HG2 MET A 22 -7.457 9.796 -5.090 1.00 0.00 H new ATOM 0 HG3 MET A 22 -6.009 10.025 -6.050 1.00 0.00 H new ATOM 0 HE1 MET A 22 -6.270 9.561 -1.484 1.00 0.00 H new ATOM 0 HE2 MET A 22 -6.441 11.216 -2.117 1.00 0.00 H new ATOM 0 HE3 MET A 22 -7.587 9.949 -2.617 1.00 0.00 H new ATOM 357 N GLY A 23 -8.184 14.624 -6.276 1.00 0.00 N ATOM 358 CA GLY A 23 -8.871 15.863 -5.980 1.00 0.00 C ATOM 359 C GLY A 23 -7.973 16.877 -5.305 1.00 0.00 C ATOM 360 O GLY A 23 -8.436 17.919 -4.840 1.00 0.00 O ATOM 0 H GLY A 23 -7.457 14.703 -6.987 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -9.262 16.288 -6.905 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -9.727 15.656 -5.337 1.00 0.00 H new ATOM 364 N LEU A 24 -6.686 16.578 -5.263 1.00 0.00 N ATOM 365 CA LEU A 24 -5.740 17.408 -4.526 1.00 0.00 C ATOM 366 C LEU A 24 -5.206 18.514 -5.412 1.00 0.00 C ATOM 367 O LEU A 24 -4.772 18.280 -6.542 1.00 0.00 O ATOM 368 CB LEU A 24 -4.591 16.566 -3.953 1.00 0.00 C ATOM 369 CG LEU A 24 -3.881 17.175 -2.747 1.00 0.00 C ATOM 370 CD1 LEU A 24 -4.836 17.263 -1.573 1.00 0.00 C ATOM 371 CD2 LEU A 24 -2.645 16.371 -2.359 1.00 0.00 C ATOM 0 H LEU A 24 -6.270 15.771 -5.728 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.269 17.861 -3.687 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.983 15.589 -3.669 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.857 16.398 -4.741 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.553 18.177 -3.023 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.321 17.699 -0.717 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.687 17.889 -1.842 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.188 16.264 -1.315 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.165 16.834 -1.497 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.938 15.352 -2.107 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.946 16.351 -3.196 1.00 0.00 H new ATOM 383 N PRO A 25 -5.262 19.736 -4.897 1.00 0.00 N ATOM 384 CA PRO A 25 -4.724 20.906 -5.569 1.00 0.00 C ATOM 385 C PRO A 25 -3.211 20.855 -5.601 1.00 0.00 C ATOM 386 O PRO A 25 -2.583 20.377 -4.660 1.00 0.00 O ATOM 387 CB PRO A 25 -5.182 22.084 -4.710 1.00 0.00 C ATOM 388 CG PRO A 25 -5.715 21.517 -3.443 1.00 0.00 C ATOM 389 CD PRO A 25 -5.849 20.043 -3.594 1.00 0.00 C ATOM 0 HA PRO A 25 -5.063 20.976 -6.603 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -4.352 22.761 -4.510 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -5.948 22.663 -5.226 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -5.047 21.752 -2.614 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -6.682 21.961 -3.209 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -5.329 19.516 -2.794 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -6.894 19.736 -3.551 1.00 0.00 H new ATOM 397 N GLU A 26 -2.637 21.357 -6.693 1.00 0.00 N ATOM 398 CA GLU A 26 -1.194 21.324 -6.908 1.00 0.00 C ATOM 399 C GLU A 26 -0.420 21.917 -5.743 1.00 0.00 C ATOM 400 O GLU A 26 0.708 21.513 -5.487 1.00 0.00 O ATOM 401 CB GLU A 26 -0.818 22.039 -8.192 1.00 0.00 C ATOM 402 CG GLU A 26 -1.307 23.451 -8.234 1.00 0.00 C ATOM 403 CD GLU A 26 -0.896 24.176 -9.497 1.00 0.00 C ATOM 404 OE1 GLU A 26 -1.422 23.833 -10.576 1.00 0.00 O ATOM 405 OE2 GLU A 26 -0.063 25.103 -9.415 1.00 0.00 O ATOM 0 H GLU A 26 -3.159 21.797 -7.451 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.919 20.272 -6.989 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.266 22.032 -8.302 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.229 21.492 -9.041 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.394 23.457 -8.154 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.921 23.990 -7.369 1.00 0.00 H new ATOM 412 N ASP A 27 -1.014 22.874 -5.048 1.00 0.00 N ATOM 413 CA ASP A 27 -0.366 23.470 -3.890 1.00 0.00 C ATOM 414 C ASP A 27 -0.220 22.442 -2.776 1.00 0.00 C ATOM 415 O ASP A 27 0.853 22.295 -2.194 1.00 0.00 O ATOM 416 CB ASP A 27 -1.157 24.678 -3.397 1.00 0.00 C ATOM 417 CG ASP A 27 -0.477 25.397 -2.250 1.00 0.00 C ATOM 418 OD1 ASP A 27 0.413 26.234 -2.515 1.00 0.00 O ATOM 419 OD2 ASP A 27 -0.839 25.147 -1.079 1.00 0.00 O ATOM 0 H ASP A 27 -1.936 23.253 -5.263 1.00 0.00 H new ATOM 0 HA ASP A 27 0.628 23.806 -4.186 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.300 25.375 -4.223 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -2.148 24.353 -3.080 1.00 0.00 H new ATOM 424 N LEU A 28 -1.292 21.702 -2.513 1.00 0.00 N ATOM 425 CA LEU A 28 -1.257 20.636 -1.518 1.00 0.00 C ATOM 426 C LEU A 28 -0.494 19.440 -2.060 1.00 0.00 C ATOM 427 O LEU A 28 0.170 18.719 -1.317 1.00 0.00 O ATOM 428 CB LEU A 28 -2.666 20.220 -1.117 1.00 0.00 C ATOM 429 CG LEU A 28 -3.369 21.175 -0.167 1.00 0.00 C ATOM 430 CD1 LEU A 28 -4.777 20.695 0.107 1.00 0.00 C ATOM 431 CD2 LEU A 28 -2.586 21.298 1.126 1.00 0.00 C ATOM 0 H LEU A 28 -2.194 21.820 -2.974 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.747 21.013 -0.632 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.270 20.118 -2.019 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.620 19.236 -0.651 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.424 22.159 -0.632 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.271 21.387 0.789 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.334 20.648 -0.829 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.742 19.704 0.559 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.100 21.985 1.799 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.507 20.319 1.598 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.587 21.679 0.912 1.00 0.00 H new ATOM 443 N ILE A 29 -0.600 19.249 -3.363 1.00 0.00 N ATOM 444 CA ILE A 29 0.127 18.221 -4.070 1.00 0.00 C ATOM 445 C ILE A 29 1.630 18.389 -3.899 1.00 0.00 C ATOM 446 O ILE A 29 2.325 17.440 -3.560 1.00 0.00 O ATOM 447 CB ILE A 29 -0.237 18.302 -5.560 1.00 0.00 C ATOM 448 CG1 ILE A 29 -1.522 17.539 -5.818 1.00 0.00 C ATOM 449 CG2 ILE A 29 0.861 17.764 -6.422 1.00 0.00 C ATOM 450 CD1 ILE A 29 -1.345 16.049 -5.861 1.00 0.00 C ATOM 0 H ILE A 29 -1.202 19.813 -3.963 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.148 17.249 -3.661 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.379 19.352 -5.817 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.243 17.787 -5.039 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.947 17.872 -6.765 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.570 17.837 -7.470 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.770 18.343 -6.257 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.045 16.720 -6.168 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.308 15.574 -6.050 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.649 15.788 -6.658 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.950 15.702 -4.906 1.00 0.00 H new ATOM 462 N GLN A 30 2.115 19.605 -4.097 1.00 0.00 N ATOM 463 CA GLN A 30 3.537 19.881 -3.998 1.00 0.00 C ATOM 464 C GLN A 30 4.045 19.638 -2.580 1.00 0.00 C ATOM 465 O GLN A 30 5.225 19.366 -2.370 1.00 0.00 O ATOM 466 CB GLN A 30 3.831 21.322 -4.429 1.00 0.00 C ATOM 467 CG GLN A 30 3.740 21.555 -5.925 1.00 0.00 C ATOM 468 CD GLN A 30 4.619 20.618 -6.730 1.00 0.00 C ATOM 469 OE1 GLN A 30 4.184 19.548 -7.156 1.00 0.00 O ATOM 470 NE2 GLN A 30 5.864 21.013 -6.936 1.00 0.00 N ATOM 0 H GLN A 30 1.542 20.417 -4.328 1.00 0.00 H new ATOM 0 HA GLN A 30 4.062 19.199 -4.667 1.00 0.00 H new ATOM 0 HB2 GLN A 30 3.132 21.990 -3.926 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.831 21.594 -4.091 1.00 0.00 H new ATOM 0 HG2 GLN A 30 2.704 21.434 -6.243 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.022 22.585 -6.144 1.00 0.00 H new ATOM 0 HE21 GLN A 30 6.183 21.908 -6.565 1.00 0.00 H new ATOM 0 HE22 GLN A 30 6.505 20.423 -7.466 1.00 0.00 H new ATOM 479 N LYS A 31 3.143 19.731 -1.616 1.00 0.00 N ATOM 480 CA LYS A 31 3.480 19.507 -0.226 1.00 0.00 C ATOM 481 C LYS A 31 3.444 18.026 0.069 1.00 0.00 C ATOM 482 O LYS A 31 4.458 17.418 0.407 1.00 0.00 O ATOM 483 CB LYS A 31 2.509 20.235 0.681 1.00 0.00 C ATOM 484 CG LYS A 31 2.656 21.736 0.618 1.00 0.00 C ATOM 485 CD LYS A 31 1.339 22.393 0.886 1.00 0.00 C ATOM 486 CE LYS A 31 0.857 22.106 2.294 1.00 0.00 C ATOM 487 NZ LYS A 31 1.743 22.713 3.326 1.00 0.00 N ATOM 0 H LYS A 31 2.163 19.963 -1.777 1.00 0.00 H new ATOM 0 HA LYS A 31 4.482 19.893 -0.040 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.490 19.963 0.406 1.00 0.00 H new ATOM 0 HB3 LYS A 31 2.661 19.903 1.708 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.392 22.068 1.350 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.026 22.032 -0.364 1.00 0.00 H new ATOM 0 HD2 LYS A 31 1.432 23.470 0.743 1.00 0.00 H new ATOM 0 HD3 LYS A 31 0.600 22.039 0.167 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.156 22.491 2.415 1.00 0.00 H new ATOM 0 HE3 LYS A 31 0.809 21.028 2.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 1.276 22.669 4.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 2.640 22.189 3.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 1.933 23.706 3.080 1.00 0.00 H new ATOM 501 N GLY A 32 2.258 17.457 -0.119 1.00 0.00 N ATOM 502 CA GLY A 32 2.013 16.066 0.184 1.00 0.00 C ATOM 503 C GLY A 32 2.879 15.125 -0.621 1.00 0.00 C ATOM 504 O GLY A 32 3.072 13.976 -0.231 1.00 0.00 O ATOM 0 H GLY A 32 1.445 17.953 -0.486 1.00 0.00 H new ATOM 0 HA2 GLY A 32 2.189 15.895 1.246 1.00 0.00 H new ATOM 0 HA3 GLY A 32 0.964 15.838 -0.006 1.00 0.00 H new ATOM 508 N LYS A 33 3.403 15.610 -1.744 1.00 0.00 N ATOM 509 CA LYS A 33 4.189 14.765 -2.646 1.00 0.00 C ATOM 510 C LYS A 33 5.452 14.209 -1.974 1.00 0.00 C ATOM 511 O LYS A 33 6.074 13.275 -2.483 1.00 0.00 O ATOM 512 CB LYS A 33 4.522 15.511 -3.930 1.00 0.00 C ATOM 513 CG LYS A 33 5.895 16.094 -4.016 1.00 0.00 C ATOM 514 CD LYS A 33 5.915 16.991 -5.214 1.00 0.00 C ATOM 515 CE LYS A 33 7.122 17.890 -5.218 1.00 0.00 C ATOM 516 NZ LYS A 33 8.362 17.140 -5.543 1.00 0.00 N ATOM 0 H LYS A 33 3.300 16.577 -2.052 1.00 0.00 H new ATOM 0 HA LYS A 33 3.572 13.904 -2.902 1.00 0.00 H new ATOM 0 HB2 LYS A 33 4.387 14.828 -4.768 1.00 0.00 H new ATOM 0 HB3 LYS A 33 3.799 16.317 -4.056 1.00 0.00 H new ATOM 0 HG2 LYS A 33 6.134 16.653 -3.111 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.643 15.307 -4.111 1.00 0.00 H new ATOM 0 HD2 LYS A 33 5.909 16.387 -6.121 1.00 0.00 H new ATOM 0 HD3 LYS A 33 5.010 17.598 -5.229 1.00 0.00 H new ATOM 0 HE2 LYS A 33 6.979 18.689 -5.945 1.00 0.00 H new ATOM 0 HE3 LYS A 33 7.227 18.363 -4.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 9.173 17.791 -5.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 8.512 16.393 -4.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 8.271 16.710 -6.485 1.00 0.00 H new ATOM 530 N ASP A 34 5.818 14.778 -0.828 1.00 0.00 N ATOM 531 CA ASP A 34 7.017 14.351 -0.106 1.00 0.00 C ATOM 532 C ASP A 34 6.642 13.487 1.098 1.00 0.00 C ATOM 533 O ASP A 34 7.495 12.843 1.712 1.00 0.00 O ATOM 534 CB ASP A 34 7.815 15.581 0.345 1.00 0.00 C ATOM 535 CG ASP A 34 9.112 15.234 1.054 1.00 0.00 C ATOM 536 OD1 ASP A 34 10.022 14.674 0.403 1.00 0.00 O ATOM 537 OD2 ASP A 34 9.233 15.535 2.263 1.00 0.00 O ATOM 0 H ASP A 34 5.303 15.535 -0.379 1.00 0.00 H new ATOM 0 HA ASP A 34 7.635 13.751 -0.774 1.00 0.00 H new ATOM 0 HB2 ASP A 34 8.039 16.198 -0.525 1.00 0.00 H new ATOM 0 HB3 ASP A 34 7.196 16.182 1.011 1.00 0.00 H new ATOM 542 N ILE A 35 5.356 13.469 1.420 1.00 0.00 N ATOM 543 CA ILE A 35 4.864 12.782 2.587 1.00 0.00 C ATOM 544 C ILE A 35 4.779 11.281 2.382 1.00 0.00 C ATOM 545 O ILE A 35 4.378 10.788 1.325 1.00 0.00 O ATOM 546 CB ILE A 35 3.494 13.345 3.027 1.00 0.00 C ATOM 547 CG1 ILE A 35 3.691 14.654 3.781 1.00 0.00 C ATOM 548 CG2 ILE A 35 2.721 12.357 3.864 1.00 0.00 C ATOM 549 CD1 ILE A 35 4.035 15.825 2.910 1.00 0.00 C ATOM 0 H ILE A 35 4.631 13.933 0.873 1.00 0.00 H new ATOM 0 HA ILE A 35 5.588 12.960 3.382 1.00 0.00 H new ATOM 0 HB ILE A 35 2.904 13.533 2.130 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.779 14.882 4.332 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.483 14.519 4.517 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.765 12.794 4.152 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.547 11.449 3.287 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.292 12.113 4.760 1.00 0.00 H new ATOM 0 HD11 ILE A 35 4.157 16.715 3.528 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.964 15.622 2.378 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.234 15.991 2.190 1.00 0.00 H new ATOM 561 N LYS A 36 5.184 10.580 3.422 1.00 0.00 N ATOM 562 CA LYS A 36 5.224 9.136 3.445 1.00 0.00 C ATOM 563 C LYS A 36 4.698 8.654 4.788 1.00 0.00 C ATOM 564 O LYS A 36 3.913 9.350 5.437 1.00 0.00 O ATOM 565 CB LYS A 36 6.655 8.687 3.235 1.00 0.00 C ATOM 566 CG LYS A 36 7.185 9.075 1.876 1.00 0.00 C ATOM 567 CD LYS A 36 8.675 8.983 1.844 1.00 0.00 C ATOM 568 CE LYS A 36 9.313 10.305 2.219 1.00 0.00 C ATOM 569 NZ LYS A 36 9.202 10.603 3.671 1.00 0.00 N ATOM 0 H LYS A 36 5.500 11.009 4.291 1.00 0.00 H new ATOM 0 HA LYS A 36 4.603 8.717 2.653 1.00 0.00 H new ATOM 0 HB2 LYS A 36 7.288 9.125 4.007 1.00 0.00 H new ATOM 0 HB3 LYS A 36 6.714 7.605 3.350 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.759 8.422 1.114 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.873 10.091 1.635 1.00 0.00 H new ATOM 0 HD2 LYS A 36 9.009 8.207 2.532 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.003 8.688 0.847 1.00 0.00 H new ATOM 0 HE2 LYS A 36 10.365 10.290 1.935 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.841 11.106 1.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.960 11.259 3.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 8.278 11.038 3.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 9.291 9.721 4.214 1.00 0.00 H new ATOM 583 N GLY A 37 5.115 7.477 5.208 1.00 0.00 N ATOM 584 CA GLY A 37 4.706 6.985 6.496 1.00 0.00 C ATOM 585 C GLY A 37 5.254 5.614 6.777 1.00 0.00 C ATOM 586 O GLY A 37 6.106 5.111 6.039 1.00 0.00 O ATOM 0 H GLY A 37 5.728 6.855 4.681 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.041 7.675 7.270 1.00 0.00 H new ATOM 0 HA3 GLY A 37 3.617 6.957 6.544 1.00 0.00 H new ATOM 590 N VAL A 38 4.756 5.003 7.831 1.00 0.00 N ATOM 591 CA VAL A 38 5.226 3.703 8.241 1.00 0.00 C ATOM 592 C VAL A 38 4.215 2.624 7.880 1.00 0.00 C ATOM 593 O VAL A 38 3.023 2.756 8.159 1.00 0.00 O ATOM 594 CB VAL A 38 5.496 3.674 9.752 1.00 0.00 C ATOM 595 CG1 VAL A 38 6.069 2.336 10.173 1.00 0.00 C ATOM 596 CG2 VAL A 38 6.440 4.799 10.104 1.00 0.00 C ATOM 0 H VAL A 38 4.021 5.392 8.421 1.00 0.00 H new ATOM 0 HA VAL A 38 6.158 3.504 7.712 1.00 0.00 H new ATOM 0 HB VAL A 38 4.557 3.809 10.289 1.00 0.00 H new ATOM 0 HG11 VAL A 38 6.252 2.340 11.248 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.361 1.544 9.928 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.007 2.160 9.646 1.00 0.00 H new ATOM 0 HG21 VAL A 38 6.638 4.786 11.176 1.00 0.00 H new ATOM 0 HG22 VAL A 38 7.376 4.672 9.561 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.988 5.752 9.830 1.00 0.00 H new ATOM 606 N SER A 39 4.693 1.575 7.235 1.00 0.00 N ATOM 607 CA SER A 39 3.853 0.436 6.906 1.00 0.00 C ATOM 608 C SER A 39 4.352 -0.814 7.618 1.00 0.00 C ATOM 609 O SER A 39 5.462 -1.272 7.380 1.00 0.00 O ATOM 610 CB SER A 39 3.788 0.210 5.391 1.00 0.00 C ATOM 611 OG SER A 39 5.020 0.512 4.755 1.00 0.00 O ATOM 0 H SER A 39 5.662 1.488 6.928 1.00 0.00 H new ATOM 0 HA SER A 39 2.842 0.652 7.250 1.00 0.00 H new ATOM 0 HB2 SER A 39 3.521 -0.828 5.190 1.00 0.00 H new ATOM 0 HB3 SER A 39 2.999 0.830 4.966 1.00 0.00 H new ATOM 0 HG SER A 39 5.759 0.135 5.277 1.00 0.00 H new ATOM 617 N GLU A 40 3.530 -1.363 8.490 1.00 0.00 N ATOM 618 CA GLU A 40 3.927 -2.517 9.277 1.00 0.00 C ATOM 619 C GLU A 40 3.381 -3.782 8.638 1.00 0.00 C ATOM 620 O GLU A 40 2.200 -3.848 8.294 1.00 0.00 O ATOM 621 CB GLU A 40 3.396 -2.391 10.701 1.00 0.00 C ATOM 622 CG GLU A 40 3.981 -3.418 11.646 1.00 0.00 C ATOM 623 CD GLU A 40 3.288 -3.435 12.991 1.00 0.00 C ATOM 624 OE1 GLU A 40 3.659 -2.616 13.860 1.00 0.00 O ATOM 625 OE2 GLU A 40 2.378 -4.264 13.190 1.00 0.00 O ATOM 0 H GLU A 40 2.583 -1.030 8.673 1.00 0.00 H new ATOM 0 HA GLU A 40 5.015 -2.566 9.309 1.00 0.00 H new ATOM 0 HB2 GLU A 40 3.617 -1.392 11.078 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.311 -2.494 10.688 1.00 0.00 H new ATOM 0 HG2 GLU A 40 3.909 -4.406 11.192 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.041 -3.210 11.791 1.00 0.00 H new ATOM 632 N ILE A 41 4.248 -4.772 8.480 1.00 0.00 N ATOM 633 CA ILE A 41 3.907 -5.994 7.771 1.00 0.00 C ATOM 634 C ILE A 41 4.154 -7.207 8.653 1.00 0.00 C ATOM 635 O ILE A 41 5.267 -7.407 9.098 1.00 0.00 O ATOM 636 CB ILE A 41 4.770 -6.161 6.499 1.00 0.00 C ATOM 637 CG1 ILE A 41 4.864 -4.856 5.709 1.00 0.00 C ATOM 638 CG2 ILE A 41 4.219 -7.268 5.621 1.00 0.00 C ATOM 639 CD1 ILE A 41 3.548 -4.387 5.170 1.00 0.00 C ATOM 0 H ILE A 41 5.203 -4.750 8.838 1.00 0.00 H new ATOM 0 HA ILE A 41 2.854 -5.922 7.500 1.00 0.00 H new ATOM 0 HB ILE A 41 5.776 -6.432 6.819 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.281 -4.081 6.352 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.559 -4.991 4.881 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.840 -7.370 4.731 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.222 -8.207 6.175 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.199 -7.024 5.325 1.00 0.00 H new ATOM 0 HD11 ILE A 41 3.691 -3.456 4.621 1.00 0.00 H new ATOM 0 HD12 ILE A 41 3.138 -5.144 4.501 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.856 -4.219 5.995 1.00 0.00 H new ATOM 651 N VAL A 42 3.124 -7.987 8.932 1.00 0.00 N ATOM 652 CA VAL A 42 3.300 -9.300 9.559 1.00 0.00 C ATOM 653 C VAL A 42 2.582 -10.348 8.729 1.00 0.00 C ATOM 654 O VAL A 42 1.357 -10.406 8.724 1.00 0.00 O ATOM 655 CB VAL A 42 2.718 -9.325 10.987 1.00 0.00 C ATOM 656 CG1 VAL A 42 2.977 -10.669 11.643 1.00 0.00 C ATOM 657 CG2 VAL A 42 3.281 -8.191 11.822 1.00 0.00 C ATOM 0 H VAL A 42 2.154 -7.740 8.737 1.00 0.00 H new ATOM 0 HA VAL A 42 4.369 -9.508 9.613 1.00 0.00 H new ATOM 0 HB VAL A 42 1.639 -9.182 10.920 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.560 -10.669 12.650 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.507 -11.457 11.055 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.051 -10.847 11.695 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.855 -8.231 12.824 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.365 -8.288 11.884 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.029 -7.237 11.358 1.00 0.00 H new ATOM 667 N HIS A 43 3.324 -11.196 8.049 1.00 0.00 N ATOM 668 CA HIS A 43 2.696 -12.221 7.232 1.00 0.00 C ATOM 669 C HIS A 43 2.692 -13.539 7.980 1.00 0.00 C ATOM 670 O HIS A 43 3.732 -14.160 8.188 1.00 0.00 O ATOM 671 CB HIS A 43 3.392 -12.326 5.861 1.00 0.00 C ATOM 672 CG HIS A 43 3.164 -13.615 5.110 1.00 0.00 C ATOM 673 ND1 HIS A 43 4.194 -14.448 4.716 1.00 0.00 N ATOM 674 CD2 HIS A 43 2.028 -14.184 4.634 1.00 0.00 C ATOM 675 CE1 HIS A 43 3.700 -15.464 4.033 1.00 0.00 C ATOM 676 NE2 HIS A 43 2.395 -15.327 3.969 1.00 0.00 N ATOM 0 H HIS A 43 4.344 -11.201 8.042 1.00 0.00 H new ATOM 0 HA HIS A 43 1.659 -11.947 7.037 1.00 0.00 H new ATOM 0 HB2 HIS A 43 3.053 -11.499 5.238 1.00 0.00 H new ATOM 0 HB3 HIS A 43 4.464 -12.197 6.007 1.00 0.00 H new ATOM 0 HD1 HIS A 43 5.182 -14.301 4.921 1.00 0.00 H new ATOM 0 HD2 HIS A 43 1.023 -13.808 4.756 1.00 0.00 H new ATOM 0 HE1 HIS A 43 4.272 -16.271 3.600 1.00 0.00 H new ATOM 0 HE2 HIS A 43 1.756 -15.968 3.499 1.00 0.00 H new ATOM 685 N GLU A 44 1.497 -13.947 8.361 1.00 0.00 N ATOM 686 CA GLU A 44 1.287 -15.153 9.137 1.00 0.00 C ATOM 687 C GLU A 44 0.584 -16.216 8.295 1.00 0.00 C ATOM 688 O GLU A 44 -0.618 -16.120 8.019 1.00 0.00 O ATOM 689 CB GLU A 44 0.475 -14.809 10.381 1.00 0.00 C ATOM 690 CG GLU A 44 -0.018 -16.011 11.162 1.00 0.00 C ATOM 691 CD GLU A 44 1.096 -16.942 11.590 1.00 0.00 C ATOM 692 OE1 GLU A 44 2.029 -16.492 12.288 1.00 0.00 O ATOM 693 OE2 GLU A 44 1.036 -18.134 11.233 1.00 0.00 O ATOM 0 H GLU A 44 0.637 -13.446 8.138 1.00 0.00 H new ATOM 0 HA GLU A 44 2.249 -15.563 9.444 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.086 -14.190 11.038 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -0.384 -14.207 10.084 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -0.555 -15.667 12.046 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.731 -16.565 10.552 1.00 0.00 H new ATOM 700 N GLY A 45 1.349 -17.224 7.889 1.00 0.00 N ATOM 701 CA GLY A 45 0.820 -18.274 7.043 1.00 0.00 C ATOM 702 C GLY A 45 0.469 -17.760 5.664 1.00 0.00 C ATOM 703 O GLY A 45 1.307 -17.738 4.768 1.00 0.00 O ATOM 0 H GLY A 45 2.333 -17.331 8.134 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.554 -19.076 6.956 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.068 -18.703 7.508 1.00 0.00 H new ATOM 707 N LYS A 46 -0.777 -17.351 5.501 1.00 0.00 N ATOM 708 CA LYS A 46 -1.231 -16.710 4.277 1.00 0.00 C ATOM 709 C LYS A 46 -1.452 -15.233 4.491 1.00 0.00 C ATOM 710 O LYS A 46 -1.030 -14.400 3.697 1.00 0.00 O ATOM 711 CB LYS A 46 -2.536 -17.303 3.812 1.00 0.00 C ATOM 712 CG LYS A 46 -2.378 -18.414 2.800 1.00 0.00 C ATOM 713 CD LYS A 46 -2.084 -19.751 3.463 1.00 0.00 C ATOM 714 CE LYS A 46 -3.223 -20.190 4.373 1.00 0.00 C ATOM 715 NZ LYS A 46 -4.492 -20.420 3.625 1.00 0.00 N ATOM 0 H LYS A 46 -1.502 -17.453 6.211 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.455 -16.870 3.529 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.078 -17.687 4.676 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.148 -16.513 3.377 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.289 -18.496 2.207 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.570 -18.165 2.112 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.917 -20.508 2.697 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.164 -19.676 4.042 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.938 -21.106 4.891 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -3.387 -19.430 5.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.875 -21.355 3.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.183 -19.685 3.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.305 -20.380 2.603 1.00 0.00 H new ATOM 729 N LYS A 47 -2.112 -14.922 5.584 1.00 0.00 N ATOM 730 CA LYS A 47 -2.565 -13.569 5.834 1.00 0.00 C ATOM 731 C LYS A 47 -1.410 -12.663 6.190 1.00 0.00 C ATOM 732 O LYS A 47 -0.555 -12.995 7.005 1.00 0.00 O ATOM 733 CB LYS A 47 -3.577 -13.535 6.970 1.00 0.00 C ATOM 734 CG LYS A 47 -4.375 -14.805 7.123 1.00 0.00 C ATOM 735 CD LYS A 47 -5.591 -14.564 7.984 1.00 0.00 C ATOM 736 CE LYS A 47 -6.185 -15.859 8.507 1.00 0.00 C ATOM 737 NZ LYS A 47 -6.744 -16.703 7.422 1.00 0.00 N ATOM 0 H LYS A 47 -2.349 -15.590 6.318 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.033 -13.215 4.915 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.052 -13.334 7.904 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.264 -12.705 6.805 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.682 -15.169 6.143 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.753 -15.581 7.570 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.319 -13.925 8.824 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.344 -14.028 7.406 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.417 -16.419 9.040 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -6.970 -15.631 9.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -7.138 -17.575 7.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.496 -16.181 6.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.991 -16.945 6.747 1.00 0.00 H new ATOM 751 N VAL A 48 -1.401 -11.518 5.557 1.00 0.00 N ATOM 752 CA VAL A 48 -0.396 -10.523 5.790 1.00 0.00 C ATOM 753 C VAL A 48 -1.022 -9.341 6.516 1.00 0.00 C ATOM 754 O VAL A 48 -2.135 -8.922 6.202 1.00 0.00 O ATOM 755 CB VAL A 48 0.242 -10.054 4.467 1.00 0.00 C ATOM 756 CG1 VAL A 48 1.233 -8.927 4.709 1.00 0.00 C ATOM 757 CG2 VAL A 48 0.912 -11.213 3.741 1.00 0.00 C ATOM 0 H VAL A 48 -2.098 -11.252 4.861 1.00 0.00 H new ATOM 0 HA VAL A 48 0.392 -10.959 6.403 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.556 -9.673 3.830 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.668 -8.615 3.760 1.00 0.00 H new ATOM 0 HG12 VAL A 48 0.719 -8.082 5.167 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.024 -9.274 5.374 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.353 -10.854 2.811 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.692 -11.636 4.374 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.170 -11.980 3.518 1.00 0.00 H new ATOM 767 N LYS A 49 -0.311 -8.839 7.502 1.00 0.00 N ATOM 768 CA LYS A 49 -0.714 -7.645 8.221 1.00 0.00 C ATOM 769 C LYS A 49 -0.232 -6.414 7.489 1.00 0.00 C ATOM 770 O LYS A 49 0.948 -6.323 7.145 1.00 0.00 O ATOM 771 CB LYS A 49 -0.084 -7.635 9.602 1.00 0.00 C ATOM 772 CG LYS A 49 -1.061 -7.754 10.741 1.00 0.00 C ATOM 773 CD LYS A 49 -0.352 -7.624 12.073 1.00 0.00 C ATOM 774 CE LYS A 49 -1.320 -7.705 13.244 1.00 0.00 C ATOM 775 NZ LYS A 49 -2.120 -8.959 13.228 1.00 0.00 N ATOM 0 H LYS A 49 0.565 -9.246 7.830 1.00 0.00 H new ATOM 0 HA LYS A 49 -1.801 -7.643 8.296 1.00 0.00 H new ATOM 0 HB2 LYS A 49 0.630 -8.456 9.667 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.482 -6.711 9.722 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.825 -6.981 10.653 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.573 -8.715 10.688 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.395 -8.413 12.165 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.181 -6.674 12.109 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -0.762 -7.644 14.179 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.992 -6.847 13.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.703 -9.010 14.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -2.736 -8.967 12.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -1.480 -9.778 13.195 1.00 0.00 H new ATOM 789 N LEU A 50 -1.132 -5.483 7.224 1.00 0.00 N ATOM 790 CA LEU A 50 -0.734 -4.233 6.632 1.00 0.00 C ATOM 791 C LEU A 50 -1.307 -3.069 7.410 1.00 0.00 C ATOM 792 O LEU A 50 -2.519 -2.890 7.523 1.00 0.00 O ATOM 793 CB LEU A 50 -1.148 -4.150 5.174 1.00 0.00 C ATOM 794 CG LEU A 50 -0.139 -3.452 4.259 1.00 0.00 C ATOM 795 CD1 LEU A 50 0.778 -2.514 5.031 1.00 0.00 C ATOM 796 CD2 LEU A 50 0.675 -4.486 3.503 1.00 0.00 C ATOM 0 H LEU A 50 -2.131 -5.574 7.410 1.00 0.00 H new ATOM 0 HA LEU A 50 0.354 -4.181 6.673 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.317 -5.160 4.801 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.100 -3.623 5.111 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.699 -2.843 3.550 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.478 -2.040 4.342 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.181 -1.748 5.526 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.333 -3.081 5.778 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.391 -3.982 2.854 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.210 -5.117 4.212 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.009 -5.103 2.899 1.00 0.00 H new ATOM 808 N THR A 51 -0.409 -2.296 7.951 1.00 0.00 N ATOM 809 CA THR A 51 -0.750 -1.082 8.647 1.00 0.00 C ATOM 810 C THR A 51 0.017 0.064 8.008 1.00 0.00 C ATOM 811 O THR A 51 1.241 0.101 8.078 1.00 0.00 O ATOM 812 CB THR A 51 -0.416 -1.186 10.145 1.00 0.00 C ATOM 813 OG1 THR A 51 -1.030 -2.358 10.705 1.00 0.00 O ATOM 814 CG2 THR A 51 -0.908 0.041 10.876 1.00 0.00 C ATOM 0 H THR A 51 0.592 -2.490 7.923 1.00 0.00 H new ATOM 0 HA THR A 51 -1.823 -0.907 8.568 1.00 0.00 H new ATOM 0 HB THR A 51 0.666 -1.257 10.257 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.811 -2.418 11.658 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.666 -0.045 11.935 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.426 0.928 10.464 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.988 0.127 10.757 1.00 0.00 H new ATOM 822 N ILE A 52 -0.693 0.991 7.386 1.00 0.00 N ATOM 823 CA ILE A 52 -0.048 2.005 6.569 1.00 0.00 C ATOM 824 C ILE A 52 -0.368 3.406 7.058 1.00 0.00 C ATOM 825 O ILE A 52 -1.530 3.798 7.119 1.00 0.00 O ATOM 826 CB ILE A 52 -0.475 1.908 5.101 1.00 0.00 C ATOM 827 CG1 ILE A 52 -0.637 0.447 4.683 1.00 0.00 C ATOM 828 CG2 ILE A 52 0.557 2.613 4.228 1.00 0.00 C ATOM 829 CD1 ILE A 52 -0.585 0.262 3.194 1.00 0.00 C ATOM 0 H ILE A 52 -1.710 1.062 7.431 1.00 0.00 H new ATOM 0 HA ILE A 52 1.023 1.819 6.654 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.441 2.397 4.974 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.149 -0.149 5.147 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.588 0.069 5.059 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.256 2.546 3.183 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.625 3.661 4.519 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.529 2.137 4.357 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.705 -0.794 2.954 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.388 0.834 2.728 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.376 0.612 2.817 1.00 0.00 H new ATOM 841 N THR A 53 0.657 4.159 7.395 1.00 0.00 N ATOM 842 CA THR A 53 0.476 5.547 7.767 1.00 0.00 C ATOM 843 C THR A 53 0.746 6.443 6.564 1.00 0.00 C ATOM 844 O THR A 53 1.839 6.420 6.002 1.00 0.00 O ATOM 845 CB THR A 53 1.428 5.939 8.906 1.00 0.00 C ATOM 846 OG1 THR A 53 1.541 4.845 9.828 1.00 0.00 O ATOM 847 CG2 THR A 53 0.928 7.177 9.639 1.00 0.00 C ATOM 0 H THR A 53 1.624 3.834 7.419 1.00 0.00 H new ATOM 0 HA THR A 53 -0.552 5.675 8.106 1.00 0.00 H new ATOM 0 HB THR A 53 2.404 6.169 8.478 1.00 0.00 H new ATOM 0 HG1 THR A 53 2.090 4.137 9.430 1.00 0.00 H new ATOM 0 HG21 THR A 53 1.622 7.431 10.440 1.00 0.00 H new ATOM 0 HG22 THR A 53 0.860 8.011 8.940 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.056 6.977 10.062 1.00 0.00 H new ATOM 855 N TYR A 54 -0.253 7.201 6.151 1.00 0.00 N ATOM 856 CA TYR A 54 -0.060 8.188 5.104 1.00 0.00 C ATOM 857 C TYR A 54 -0.087 9.571 5.719 1.00 0.00 C ATOM 858 O TYR A 54 -1.160 10.138 5.941 1.00 0.00 O ATOM 859 CB TYR A 54 -1.158 8.092 4.039 1.00 0.00 C ATOM 860 CG TYR A 54 -1.200 6.780 3.287 1.00 0.00 C ATOM 861 CD1 TYR A 54 -0.276 6.498 2.292 1.00 0.00 C ATOM 862 CD2 TYR A 54 -2.178 5.833 3.563 1.00 0.00 C ATOM 863 CE1 TYR A 54 -0.323 5.310 1.592 1.00 0.00 C ATOM 864 CE2 TYR A 54 -2.229 4.639 2.868 1.00 0.00 C ATOM 865 CZ TYR A 54 -1.300 4.383 1.883 1.00 0.00 C ATOM 866 OH TYR A 54 -1.348 3.195 1.187 1.00 0.00 O ATOM 0 H TYR A 54 -1.202 7.153 6.522 1.00 0.00 H new ATOM 0 HA TYR A 54 0.901 7.998 4.625 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -2.124 8.251 4.518 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -1.021 8.901 3.322 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.493 7.220 2.061 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -2.910 6.032 4.332 1.00 0.00 H new ATOM 0 HE1 TYR A 54 0.403 5.107 0.819 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -2.993 3.911 3.096 1.00 0.00 H new ATOM 0 HH TYR A 54 -2.096 2.653 1.516 1.00 0.00 H new ATOM 876 N GLY A 55 1.092 10.116 5.976 1.00 0.00 N ATOM 877 CA GLY A 55 1.188 11.426 6.588 1.00 0.00 C ATOM 878 C GLY A 55 0.679 11.428 8.018 1.00 0.00 C ATOM 879 O GLY A 55 1.465 11.334 8.963 1.00 0.00 O ATOM 0 H GLY A 55 1.988 9.673 5.771 1.00 0.00 H new ATOM 0 HA2 GLY A 55 2.226 11.757 6.573 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.616 12.143 5.999 1.00 0.00 H new ATOM 883 N SER A 56 -0.634 11.515 8.173 1.00 0.00 N ATOM 884 CA SER A 56 -1.255 11.536 9.488 1.00 0.00 C ATOM 885 C SER A 56 -2.225 10.367 9.697 1.00 0.00 C ATOM 886 O SER A 56 -2.369 9.870 10.816 1.00 0.00 O ATOM 887 CB SER A 56 -1.984 12.864 9.686 1.00 0.00 C ATOM 888 OG SER A 56 -2.810 13.163 8.573 1.00 0.00 O ATOM 0 H SER A 56 -1.294 11.573 7.397 1.00 0.00 H new ATOM 0 HA SER A 56 -0.463 11.429 10.229 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.590 12.818 10.591 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.257 13.664 9.829 1.00 0.00 H new ATOM 0 HG SER A 56 -3.267 14.017 8.725 1.00 0.00 H new ATOM 894 N LYS A 57 -2.890 9.923 8.635 1.00 0.00 N ATOM 895 CA LYS A 57 -3.902 8.891 8.751 1.00 0.00 C ATOM 896 C LYS A 57 -3.273 7.508 8.643 1.00 0.00 C ATOM 897 O LYS A 57 -2.244 7.333 7.990 1.00 0.00 O ATOM 898 CB LYS A 57 -4.921 9.071 7.644 1.00 0.00 C ATOM 899 CG LYS A 57 -6.292 8.549 7.954 1.00 0.00 C ATOM 900 CD LYS A 57 -6.708 8.812 9.379 1.00 0.00 C ATOM 901 CE LYS A 57 -7.811 7.856 9.736 1.00 0.00 C ATOM 902 NZ LYS A 57 -8.007 7.738 11.203 1.00 0.00 N ATOM 0 H LYS A 57 -2.743 10.265 7.685 1.00 0.00 H new ATOM 0 HA LYS A 57 -4.386 8.977 9.724 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.997 10.133 7.410 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.553 8.573 6.747 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -7.013 9.010 7.279 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -6.319 7.476 7.764 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -5.860 8.681 10.052 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -7.048 9.842 9.491 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -8.740 8.189 9.274 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -7.584 6.873 9.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -8.778 7.068 11.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -7.130 7.394 11.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -8.250 8.669 11.597 1.00 0.00 H new ATOM 916 N VAL A 58 -3.895 6.535 9.283 1.00 0.00 N ATOM 917 CA VAL A 58 -3.388 5.172 9.294 1.00 0.00 C ATOM 918 C VAL A 58 -4.440 4.191 8.787 1.00 0.00 C ATOM 919 O VAL A 58 -5.564 4.150 9.291 1.00 0.00 O ATOM 920 CB VAL A 58 -2.940 4.742 10.704 1.00 0.00 C ATOM 921 CG1 VAL A 58 -2.114 3.474 10.635 1.00 0.00 C ATOM 922 CG2 VAL A 58 -2.173 5.859 11.389 1.00 0.00 C ATOM 0 H VAL A 58 -4.760 6.664 9.807 1.00 0.00 H new ATOM 0 HA VAL A 58 -2.524 5.155 8.629 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.829 4.534 11.300 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.806 3.185 11.640 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.710 2.675 10.194 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.230 3.648 10.021 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -1.866 5.533 12.383 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -1.290 6.108 10.800 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -2.811 6.738 11.476 1.00 0.00 H new ATOM 932 N ILE A 59 -4.074 3.417 7.781 1.00 0.00 N ATOM 933 CA ILE A 59 -4.943 2.385 7.242 1.00 0.00 C ATOM 934 C ILE A 59 -4.471 1.012 7.706 1.00 0.00 C ATOM 935 O ILE A 59 -3.322 0.637 7.484 1.00 0.00 O ATOM 936 CB ILE A 59 -4.955 2.423 5.700 1.00 0.00 C ATOM 937 CG1 ILE A 59 -5.306 3.826 5.216 1.00 0.00 C ATOM 938 CG2 ILE A 59 -5.944 1.430 5.150 1.00 0.00 C ATOM 939 CD1 ILE A 59 -6.723 4.253 5.537 1.00 0.00 C ATOM 0 H ILE A 59 -3.169 3.485 7.316 1.00 0.00 H new ATOM 0 HA ILE A 59 -5.953 2.571 7.606 1.00 0.00 H new ATOM 0 HB ILE A 59 -3.961 2.156 5.342 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -4.613 4.538 5.664 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -5.159 3.874 4.137 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -5.936 1.474 4.061 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -5.671 0.426 5.475 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -6.942 1.670 5.515 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -6.893 5.261 5.160 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -7.426 3.566 5.066 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -6.871 4.240 6.617 1.00 0.00 H new ATOM 951 N HIS A 60 -5.351 0.270 8.354 1.00 0.00 N ATOM 952 CA HIS A 60 -4.998 -1.047 8.877 1.00 0.00 C ATOM 953 C HIS A 60 -5.868 -2.116 8.227 1.00 0.00 C ATOM 954 O HIS A 60 -7.093 -2.087 8.346 1.00 0.00 O ATOM 955 CB HIS A 60 -5.161 -1.072 10.407 1.00 0.00 C ATOM 956 CG HIS A 60 -4.715 -2.347 11.086 1.00 0.00 C ATOM 957 ND1 HIS A 60 -4.602 -2.454 12.453 1.00 0.00 N ATOM 958 CD2 HIS A 60 -4.395 -3.571 10.594 1.00 0.00 C ATOM 959 CE1 HIS A 60 -4.234 -3.680 12.772 1.00 0.00 C ATOM 960 NE2 HIS A 60 -4.105 -4.386 11.664 1.00 0.00 N ATOM 0 H HIS A 60 -6.315 0.552 8.533 1.00 0.00 H new ATOM 0 HA HIS A 60 -3.955 -1.256 8.639 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -4.598 -0.240 10.829 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -6.211 -0.901 10.646 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -4.372 -3.854 9.552 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -4.066 -4.046 13.774 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -3.836 -5.368 11.610 1.00 0.00 H new ATOM 969 N ASN A 61 -5.232 -3.055 7.545 1.00 0.00 N ATOM 970 CA ASN A 61 -5.944 -4.141 6.901 1.00 0.00 C ATOM 971 C ASN A 61 -5.091 -5.393 6.917 1.00 0.00 C ATOM 972 O ASN A 61 -3.876 -5.332 6.755 1.00 0.00 O ATOM 973 CB ASN A 61 -6.337 -3.767 5.463 1.00 0.00 C ATOM 974 CG ASN A 61 -5.149 -3.421 4.581 1.00 0.00 C ATOM 975 OD1 ASN A 61 -4.586 -4.280 3.913 1.00 0.00 O ATOM 976 ND2 ASN A 61 -4.770 -2.150 4.563 1.00 0.00 N ATOM 0 H ASN A 61 -4.220 -3.084 7.424 1.00 0.00 H new ATOM 0 HA ASN A 61 -6.863 -4.332 7.455 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -6.882 -4.598 5.016 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -7.019 -2.917 5.490 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -3.985 -1.860 3.979 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -5.263 -1.463 5.133 1.00 0.00 H new ATOM 983 N GLU A 62 -5.723 -6.518 7.167 1.00 0.00 N ATOM 984 CA GLU A 62 -5.039 -7.789 7.156 1.00 0.00 C ATOM 985 C GLU A 62 -5.721 -8.707 6.162 1.00 0.00 C ATOM 986 O GLU A 62 -6.942 -8.869 6.192 1.00 0.00 O ATOM 987 CB GLU A 62 -5.018 -8.383 8.561 1.00 0.00 C ATOM 988 CG GLU A 62 -4.161 -7.571 9.512 1.00 0.00 C ATOM 989 CD GLU A 62 -4.322 -7.963 10.960 1.00 0.00 C ATOM 990 OE1 GLU A 62 -4.080 -9.141 11.298 1.00 0.00 O ATOM 991 OE2 GLU A 62 -4.645 -7.080 11.778 1.00 0.00 O ATOM 0 H GLU A 62 -6.718 -6.577 7.382 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.002 -7.658 6.846 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.036 -8.436 8.947 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.641 -9.405 8.516 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.114 -7.683 9.229 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.410 -6.516 9.401 1.00 0.00 H new ATOM 998 N PHE A 63 -4.938 -9.308 5.287 1.00 0.00 N ATOM 999 CA PHE A 63 -5.485 -9.987 4.131 1.00 0.00 C ATOM 1000 C PHE A 63 -4.845 -11.345 3.953 1.00 0.00 C ATOM 1001 O PHE A 63 -3.673 -11.524 4.244 1.00 0.00 O ATOM 1002 CB PHE A 63 -5.289 -9.125 2.880 1.00 0.00 C ATOM 1003 CG PHE A 63 -3.906 -8.545 2.730 1.00 0.00 C ATOM 1004 CD1 PHE A 63 -2.860 -9.300 2.218 1.00 0.00 C ATOM 1005 CD2 PHE A 63 -3.660 -7.239 3.096 1.00 0.00 C ATOM 1006 CE1 PHE A 63 -1.597 -8.757 2.078 1.00 0.00 C ATOM 1007 CE2 PHE A 63 -2.396 -6.687 2.960 1.00 0.00 C ATOM 1008 CZ PHE A 63 -1.367 -7.448 2.449 1.00 0.00 C ATOM 0 H PHE A 63 -3.921 -9.339 5.356 1.00 0.00 H new ATOM 0 HA PHE A 63 -6.553 -10.140 4.287 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -5.514 -9.728 2.000 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -6.011 -8.309 2.900 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -3.035 -10.325 1.925 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.464 -6.637 3.494 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -0.792 -9.356 1.679 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -2.218 -5.663 3.254 1.00 0.00 H new ATOM 0 HZ PHE A 63 -0.381 -7.020 2.339 1.00 0.00 H new ATOM 1018 N THR A 64 -5.614 -12.289 3.454 1.00 0.00 N ATOM 1019 CA THR A 64 -5.175 -13.664 3.396 1.00 0.00 C ATOM 1020 C THR A 64 -4.751 -14.043 1.974 1.00 0.00 C ATOM 1021 O THR A 64 -5.453 -13.769 1.005 1.00 0.00 O ATOM 1022 CB THR A 64 -6.293 -14.596 3.866 1.00 0.00 C ATOM 1023 OG1 THR A 64 -6.886 -14.084 5.068 1.00 0.00 O ATOM 1024 CG2 THR A 64 -5.741 -15.977 4.130 1.00 0.00 C ATOM 0 H THR A 64 -6.550 -12.127 3.082 1.00 0.00 H new ATOM 0 HA THR A 64 -4.314 -13.772 4.056 1.00 0.00 H new ATOM 0 HB THR A 64 -7.050 -14.654 3.084 1.00 0.00 H new ATOM 0 HG1 THR A 64 -7.602 -14.685 5.361 1.00 0.00 H new ATOM 0 HG21 THR A 64 -6.545 -16.633 4.464 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.305 -16.376 3.214 1.00 0.00 H new ATOM 0 HG23 THR A 64 -4.974 -15.921 4.903 1.00 0.00 H new ATOM 1032 N LEU A 65 -3.590 -14.668 1.875 1.00 0.00 N ATOM 1033 CA LEU A 65 -2.996 -15.053 0.604 1.00 0.00 C ATOM 1034 C LEU A 65 -3.805 -16.117 -0.127 1.00 0.00 C ATOM 1035 O LEU A 65 -3.984 -17.228 0.370 1.00 0.00 O ATOM 1036 CB LEU A 65 -1.607 -15.580 0.883 1.00 0.00 C ATOM 1037 CG LEU A 65 -0.458 -14.605 0.650 1.00 0.00 C ATOM 1038 CD1 LEU A 65 0.277 -15.019 -0.596 1.00 0.00 C ATOM 1039 CD2 LEU A 65 -0.956 -13.175 0.508 1.00 0.00 C ATOM 0 H LEU A 65 -3.026 -14.926 2.685 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.973 -14.177 -0.044 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.569 -15.913 1.920 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.442 -16.459 0.260 1.00 0.00 H new ATOM 0 HG LEU A 65 0.207 -14.634 1.513 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.103 -14.331 -0.777 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.667 -16.029 -0.470 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.406 -14.997 -1.445 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.109 -12.509 0.343 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.639 -13.110 -0.339 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.478 -12.879 1.418 1.00 0.00 H new ATOM 1051 N GLY A 66 -4.274 -15.768 -1.318 1.00 0.00 N ATOM 1052 CA GLY A 66 -5.023 -16.703 -2.138 1.00 0.00 C ATOM 1053 C GLY A 66 -6.393 -16.932 -1.583 1.00 0.00 C ATOM 1054 O GLY A 66 -7.112 -17.840 -2.000 1.00 0.00 O ATOM 0 H GLY A 66 -4.148 -14.846 -1.735 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -5.099 -16.319 -3.155 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.488 -17.651 -2.195 1.00 0.00 H new ATOM 1058 N GLU A 67 -6.750 -16.105 -0.634 1.00 0.00 N ATOM 1059 CA GLU A 67 -7.960 -16.287 0.105 1.00 0.00 C ATOM 1060 C GLU A 67 -8.711 -14.962 0.144 1.00 0.00 C ATOM 1061 O GLU A 67 -8.092 -13.899 0.185 1.00 0.00 O ATOM 1062 CB GLU A 67 -7.604 -16.800 1.501 1.00 0.00 C ATOM 1063 CG GLU A 67 -8.745 -17.456 2.255 1.00 0.00 C ATOM 1064 CD GLU A 67 -8.266 -18.195 3.490 1.00 0.00 C ATOM 1065 OE1 GLU A 67 -7.328 -19.019 3.377 1.00 0.00 O ATOM 1066 OE2 GLU A 67 -8.821 -17.963 4.582 1.00 0.00 O ATOM 0 H GLU A 67 -6.206 -15.288 -0.356 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.613 -17.023 -0.364 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.789 -17.518 1.411 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.230 -15.965 2.094 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.470 -16.696 2.547 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -9.262 -18.152 1.595 1.00 0.00 H new ATOM 1073 N GLU A 68 -10.030 -15.014 0.094 1.00 0.00 N ATOM 1074 CA GLU A 68 -10.820 -13.799 -0.031 1.00 0.00 C ATOM 1075 C GLU A 68 -10.764 -12.987 1.262 1.00 0.00 C ATOM 1076 O GLU A 68 -11.160 -13.460 2.328 1.00 0.00 O ATOM 1077 CB GLU A 68 -12.261 -14.142 -0.372 1.00 0.00 C ATOM 1078 CG GLU A 68 -13.056 -12.967 -0.884 1.00 0.00 C ATOM 1079 CD GLU A 68 -14.497 -13.328 -1.160 1.00 0.00 C ATOM 1080 OE1 GLU A 68 -14.775 -13.907 -2.231 1.00 0.00 O ATOM 1081 OE2 GLU A 68 -15.356 -13.057 -0.298 1.00 0.00 O ATOM 0 H GLU A 68 -10.574 -15.876 0.137 1.00 0.00 H new ATOM 0 HA GLU A 68 -10.401 -13.196 -0.837 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -12.270 -14.931 -1.124 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -12.750 -14.542 0.516 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -13.019 -12.160 -0.153 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -12.596 -12.590 -1.798 1.00 0.00 H new ATOM 1088 N CYS A 69 -10.249 -11.773 1.151 1.00 0.00 N ATOM 1089 CA CYS A 69 -10.047 -10.897 2.287 1.00 0.00 C ATOM 1090 C CYS A 69 -10.499 -9.493 1.973 1.00 0.00 C ATOM 1091 O CYS A 69 -10.424 -9.024 0.848 1.00 0.00 O ATOM 1092 CB CYS A 69 -8.580 -10.892 2.676 1.00 0.00 C ATOM 1093 SG CYS A 69 -7.464 -11.125 1.272 1.00 0.00 S ATOM 0 H CYS A 69 -9.958 -11.367 0.261 1.00 0.00 H new ATOM 0 HA CYS A 69 -10.644 -11.270 3.120 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -8.345 -9.947 3.165 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -8.403 -11.681 3.406 1.00 0.00 H new ATOM 0 HG CYS A 69 -7.682 -12.288 0.733 1.00 0.00 H new ATOM 1099 N GLU A 70 -10.950 -8.823 2.991 1.00 0.00 N ATOM 1100 CA GLU A 70 -11.614 -7.577 2.828 1.00 0.00 C ATOM 1101 C GLU A 70 -10.643 -6.415 2.988 1.00 0.00 C ATOM 1102 O GLU A 70 -9.903 -6.332 3.969 1.00 0.00 O ATOM 1103 CB GLU A 70 -12.743 -7.526 3.830 1.00 0.00 C ATOM 1104 CG GLU A 70 -13.804 -8.588 3.599 1.00 0.00 C ATOM 1105 CD GLU A 70 -13.325 -10.018 3.798 1.00 0.00 C ATOM 1106 OE1 GLU A 70 -12.933 -10.365 4.934 1.00 0.00 O ATOM 1107 OE2 GLU A 70 -13.343 -10.800 2.832 1.00 0.00 O ATOM 0 H GLU A 70 -10.864 -9.132 3.959 1.00 0.00 H new ATOM 0 HA GLU A 70 -12.021 -7.486 1.821 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -12.334 -7.644 4.833 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -13.210 -6.542 3.790 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -14.639 -8.401 4.275 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -14.187 -8.485 2.584 1.00 0.00 H new ATOM 1114 N LEU A 71 -10.654 -5.528 2.008 1.00 0.00 N ATOM 1115 CA LEU A 71 -9.742 -4.406 1.961 1.00 0.00 C ATOM 1116 C LEU A 71 -10.446 -3.142 2.426 1.00 0.00 C ATOM 1117 O LEU A 71 -11.493 -2.771 1.892 1.00 0.00 O ATOM 1118 CB LEU A 71 -9.256 -4.229 0.535 1.00 0.00 C ATOM 1119 CG LEU A 71 -7.743 -4.067 0.359 1.00 0.00 C ATOM 1120 CD1 LEU A 71 -7.245 -2.835 1.089 1.00 0.00 C ATOM 1121 CD2 LEU A 71 -7.015 -5.308 0.848 1.00 0.00 C ATOM 0 H LEU A 71 -11.300 -5.569 1.220 1.00 0.00 H new ATOM 0 HA LEU A 71 -8.895 -4.595 2.620 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.580 -5.091 -0.048 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.747 -3.354 0.110 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.535 -3.940 -0.703 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.168 -2.740 0.950 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.742 -1.950 0.690 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.467 -2.928 2.152 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.941 -5.176 0.716 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.234 -5.466 1.904 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.347 -6.174 0.276 1.00 0.00 H new ATOM 1133 N GLU A 72 -9.853 -2.477 3.396 1.00 0.00 N ATOM 1134 CA GLU A 72 -10.513 -1.392 4.101 1.00 0.00 C ATOM 1135 C GLU A 72 -9.834 -0.054 3.819 1.00 0.00 C ATOM 1136 O GLU A 72 -8.660 0.128 4.133 1.00 0.00 O ATOM 1137 CB GLU A 72 -10.483 -1.683 5.600 1.00 0.00 C ATOM 1138 CG GLU A 72 -11.728 -1.242 6.342 1.00 0.00 C ATOM 1139 CD GLU A 72 -11.588 -1.423 7.837 1.00 0.00 C ATOM 1140 OE1 GLU A 72 -10.962 -0.561 8.488 1.00 0.00 O ATOM 1141 OE2 GLU A 72 -12.091 -2.441 8.366 1.00 0.00 O ATOM 0 H GLU A 72 -8.905 -2.670 3.718 1.00 0.00 H new ATOM 0 HA GLU A 72 -11.543 -1.323 3.752 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -10.345 -2.754 5.748 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -9.617 -1.186 6.038 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -11.930 -0.194 6.121 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -12.585 -1.814 5.986 1.00 0.00 H new ATOM 1148 N THR A 73 -10.577 0.871 3.229 1.00 0.00 N ATOM 1149 CA THR A 73 -10.065 2.193 2.917 1.00 0.00 C ATOM 1150 C THR A 73 -10.281 3.179 4.063 1.00 0.00 C ATOM 1151 O THR A 73 -10.826 2.826 5.111 1.00 0.00 O ATOM 1152 CB THR A 73 -10.751 2.732 1.650 1.00 0.00 C ATOM 1153 OG1 THR A 73 -12.172 2.549 1.746 1.00 0.00 O ATOM 1154 CG2 THR A 73 -10.231 2.002 0.433 1.00 0.00 C ATOM 0 H THR A 73 -11.548 0.725 2.955 1.00 0.00 H new ATOM 0 HA THR A 73 -8.991 2.096 2.755 1.00 0.00 H new ATOM 0 HB THR A 73 -10.530 3.795 1.556 1.00 0.00 H new ATOM 0 HG1 THR A 73 -12.603 3.413 1.913 1.00 0.00 H new ATOM 0 HG21 THR A 73 -10.721 2.389 -0.460 1.00 0.00 H new ATOM 0 HG22 THR A 73 -9.155 2.153 0.351 1.00 0.00 H new ATOM 0 HG23 THR A 73 -10.442 0.937 0.530 1.00 0.00 H new ATOM 1162 N MET A 74 -9.874 4.426 3.833 1.00 0.00 N ATOM 1163 CA MET A 74 -10.009 5.503 4.817 1.00 0.00 C ATOM 1164 C MET A 74 -11.472 5.919 4.954 1.00 0.00 C ATOM 1165 O MET A 74 -11.831 6.750 5.788 1.00 0.00 O ATOM 1166 CB MET A 74 -9.163 6.702 4.373 1.00 0.00 C ATOM 1167 CG MET A 74 -9.120 7.845 5.375 1.00 0.00 C ATOM 1168 SD MET A 74 -8.326 9.323 4.707 1.00 0.00 S ATOM 1169 CE MET A 74 -6.709 8.685 4.273 1.00 0.00 C ATOM 0 H MET A 74 -9.440 4.720 2.958 1.00 0.00 H new ATOM 0 HA MET A 74 -9.660 5.148 5.786 1.00 0.00 H new ATOM 0 HB2 MET A 74 -8.145 6.363 4.183 1.00 0.00 H new ATOM 0 HB3 MET A 74 -9.555 7.078 3.428 1.00 0.00 H new ATOM 0 HG2 MET A 74 -10.136 8.091 5.684 1.00 0.00 H new ATOM 0 HG3 MET A 74 -8.585 7.521 6.268 1.00 0.00 H new ATOM 0 HE1 MET A 74 -6.029 9.516 4.084 1.00 0.00 H new ATOM 0 HE2 MET A 74 -6.324 8.080 5.094 1.00 0.00 H new ATOM 0 HE3 MET A 74 -6.789 8.070 3.376 1.00 0.00 H new ATOM 1179 N THR A 75 -12.314 5.314 4.140 1.00 0.00 N ATOM 1180 CA THR A 75 -13.714 5.671 4.085 1.00 0.00 C ATOM 1181 C THR A 75 -14.515 4.721 4.964 1.00 0.00 C ATOM 1182 O THR A 75 -15.716 4.896 5.181 1.00 0.00 O ATOM 1183 CB THR A 75 -14.233 5.610 2.635 1.00 0.00 C ATOM 1184 OG1 THR A 75 -14.295 4.252 2.183 1.00 0.00 O ATOM 1185 CG2 THR A 75 -13.321 6.389 1.705 1.00 0.00 C ATOM 0 H THR A 75 -12.047 4.565 3.502 1.00 0.00 H new ATOM 0 HA THR A 75 -13.832 6.691 4.449 1.00 0.00 H new ATOM 0 HB THR A 75 -15.230 6.050 2.621 1.00 0.00 H new ATOM 0 HG1 THR A 75 -14.628 4.229 1.261 1.00 0.00 H new ATOM 0 HG21 THR A 75 -13.706 6.333 0.687 1.00 0.00 H new ATOM 0 HG22 THR A 75 -13.283 7.431 2.022 1.00 0.00 H new ATOM 0 HG23 THR A 75 -12.318 5.963 1.738 1.00 0.00 H new ATOM 1193 N GLY A 76 -13.822 3.708 5.464 1.00 0.00 N ATOM 1194 CA GLY A 76 -14.436 2.721 6.320 1.00 0.00 C ATOM 1195 C GLY A 76 -15.089 1.600 5.536 1.00 0.00 C ATOM 1196 O GLY A 76 -15.205 0.479 6.025 1.00 0.00 O ATOM 0 H GLY A 76 -12.830 3.554 5.286 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -13.682 2.303 6.986 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -15.184 3.204 6.949 1.00 0.00 H new ATOM 1200 N GLU A 77 -15.513 1.898 4.315 1.00 0.00 N ATOM 1201 CA GLU A 77 -16.181 0.910 3.486 1.00 0.00 C ATOM 1202 C GLU A 77 -15.195 -0.039 2.848 1.00 0.00 C ATOM 1203 O GLU A 77 -14.364 0.337 2.016 1.00 0.00 O ATOM 1204 CB GLU A 77 -17.071 1.577 2.458 1.00 0.00 C ATOM 1205 CG GLU A 77 -18.406 1.968 3.048 1.00 0.00 C ATOM 1206 CD GLU A 77 -19.331 2.625 2.046 1.00 0.00 C ATOM 1207 OE1 GLU A 77 -19.289 3.864 1.918 1.00 0.00 O ATOM 1208 OE2 GLU A 77 -20.108 1.906 1.386 1.00 0.00 O ATOM 0 H GLU A 77 -15.406 2.814 3.880 1.00 0.00 H new ATOM 0 HA GLU A 77 -16.821 0.310 4.133 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -16.573 2.463 2.065 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -17.228 0.900 1.618 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -18.891 1.080 3.453 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -18.242 2.650 3.882 1.00 0.00 H new ATOM 1215 N LYS A 78 -15.312 -1.274 3.276 1.00 0.00 N ATOM 1216 CA LYS A 78 -14.377 -2.321 2.946 1.00 0.00 C ATOM 1217 C LYS A 78 -14.988 -3.348 1.994 1.00 0.00 C ATOM 1218 O LYS A 78 -16.164 -3.697 2.107 1.00 0.00 O ATOM 1219 CB LYS A 78 -13.937 -2.968 4.244 1.00 0.00 C ATOM 1220 CG LYS A 78 -13.094 -4.209 4.071 1.00 0.00 C ATOM 1221 CD LYS A 78 -12.545 -4.682 5.400 1.00 0.00 C ATOM 1222 CE LYS A 78 -13.638 -4.832 6.447 1.00 0.00 C ATOM 1223 NZ LYS A 78 -13.079 -5.002 7.813 1.00 0.00 N ATOM 0 H LYS A 78 -16.076 -1.584 3.876 1.00 0.00 H new ATOM 0 HA LYS A 78 -13.519 -1.899 2.423 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -13.373 -2.239 4.826 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -14.822 -3.224 4.826 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -13.693 -5.000 3.619 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -12.271 -4.002 3.387 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -12.040 -5.638 5.264 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -11.797 -3.974 5.756 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -14.284 -3.954 6.426 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -14.261 -5.692 6.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -13.854 -5.169 8.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -12.430 -5.815 7.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -12.562 -4.142 8.086 1.00 0.00 H new ATOM 1237 N VAL A 79 -14.176 -3.824 1.059 1.00 0.00 N ATOM 1238 CA VAL A 79 -14.626 -4.759 0.042 1.00 0.00 C ATOM 1239 C VAL A 79 -13.829 -6.066 0.092 1.00 0.00 C ATOM 1240 O VAL A 79 -12.610 -6.052 0.253 1.00 0.00 O ATOM 1241 CB VAL A 79 -14.487 -4.136 -1.361 1.00 0.00 C ATOM 1242 CG1 VAL A 79 -13.041 -3.810 -1.671 1.00 0.00 C ATOM 1243 CG2 VAL A 79 -15.056 -5.065 -2.397 1.00 0.00 C ATOM 0 H VAL A 79 -13.190 -3.572 0.986 1.00 0.00 H new ATOM 0 HA VAL A 79 -15.674 -4.980 0.244 1.00 0.00 H new ATOM 0 HB VAL A 79 -15.049 -3.203 -1.380 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -12.972 -3.372 -2.667 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -12.662 -3.100 -0.935 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -12.446 -4.723 -1.634 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -14.953 -4.616 -3.385 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -14.517 -6.012 -2.371 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -16.111 -5.242 -2.187 1.00 0.00 H new ATOM 1253 N LYS A 80 -14.528 -7.190 -0.015 1.00 0.00 N ATOM 1254 CA LYS A 80 -13.884 -8.489 -0.164 1.00 0.00 C ATOM 1255 C LYS A 80 -13.129 -8.578 -1.477 1.00 0.00 C ATOM 1256 O LYS A 80 -13.695 -8.404 -2.561 1.00 0.00 O ATOM 1257 CB LYS A 80 -14.916 -9.605 -0.116 1.00 0.00 C ATOM 1258 CG LYS A 80 -15.649 -9.677 1.191 1.00 0.00 C ATOM 1259 CD LYS A 80 -16.943 -10.455 1.071 1.00 0.00 C ATOM 1260 CE LYS A 80 -17.859 -9.828 0.039 1.00 0.00 C ATOM 1261 NZ LYS A 80 -19.080 -10.641 -0.199 1.00 0.00 N ATOM 0 H LYS A 80 -15.547 -7.227 -0.001 1.00 0.00 H new ATOM 0 HA LYS A 80 -13.181 -8.600 0.662 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -15.636 -9.460 -0.921 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -14.420 -10.558 -0.300 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -15.011 -10.147 1.940 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -15.863 -8.668 1.543 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -16.727 -11.486 0.792 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -17.445 -10.485 2.038 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -18.148 -8.831 0.371 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -17.317 -9.707 -0.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -19.675 -10.173 -0.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -18.808 -11.585 -0.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -19.613 -10.735 0.689 1.00 0.00 H new ATOM 1275 N ALA A 81 -11.852 -8.847 -1.358 1.00 0.00 N ATOM 1276 CA ALA A 81 -10.986 -9.045 -2.516 1.00 0.00 C ATOM 1277 C ALA A 81 -9.977 -10.161 -2.254 1.00 0.00 C ATOM 1278 O ALA A 81 -9.720 -10.520 -1.115 1.00 0.00 O ATOM 1279 CB ALA A 81 -10.279 -7.747 -2.872 1.00 0.00 C ATOM 0 H ALA A 81 -11.375 -8.937 -0.461 1.00 0.00 H new ATOM 0 HA ALA A 81 -11.603 -9.345 -3.363 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -9.636 -7.908 -3.737 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -11.019 -6.982 -3.107 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -9.674 -7.419 -2.027 1.00 0.00 H new ATOM 1285 N VAL A 82 -9.421 -10.730 -3.303 1.00 0.00 N ATOM 1286 CA VAL A 82 -8.482 -11.830 -3.141 1.00 0.00 C ATOM 1287 C VAL A 82 -7.064 -11.408 -3.517 1.00 0.00 C ATOM 1288 O VAL A 82 -6.802 -11.023 -4.657 1.00 0.00 O ATOM 1289 CB VAL A 82 -8.899 -13.053 -3.975 1.00 0.00 C ATOM 1290 CG1 VAL A 82 -7.970 -14.217 -3.722 1.00 0.00 C ATOM 1291 CG2 VAL A 82 -10.297 -13.463 -3.607 1.00 0.00 C ATOM 0 H VAL A 82 -9.598 -10.456 -4.269 1.00 0.00 H new ATOM 0 HA VAL A 82 -8.497 -12.108 -2.087 1.00 0.00 H new ATOM 0 HB VAL A 82 -8.850 -12.779 -5.029 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -8.284 -15.071 -4.322 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.953 -13.936 -3.995 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -8.002 -14.485 -2.666 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -10.590 -14.330 -4.200 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -10.335 -13.718 -2.548 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -10.982 -12.639 -3.806 1.00 0.00 H new ATOM 1301 N VAL A 83 -6.161 -11.467 -2.548 1.00 0.00 N ATOM 1302 CA VAL A 83 -4.774 -11.076 -2.761 1.00 0.00 C ATOM 1303 C VAL A 83 -3.835 -12.275 -2.690 1.00 0.00 C ATOM 1304 O VAL A 83 -3.883 -13.071 -1.750 1.00 0.00 O ATOM 1305 CB VAL A 83 -4.330 -10.024 -1.734 1.00 0.00 C ATOM 1306 CG1 VAL A 83 -4.490 -10.552 -0.336 1.00 0.00 C ATOM 1307 CG2 VAL A 83 -2.897 -9.594 -1.987 1.00 0.00 C ATOM 0 H VAL A 83 -6.366 -11.784 -1.600 1.00 0.00 H new ATOM 0 HA VAL A 83 -4.719 -10.647 -3.761 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.969 -9.148 -1.844 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -4.171 -9.793 0.378 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.536 -10.800 -0.158 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.879 -11.446 -0.213 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.605 -8.849 -1.247 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.239 -10.459 -1.910 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.817 -9.165 -2.986 1.00 0.00 H new ATOM 1317 N LYS A 84 -3.007 -12.429 -3.703 1.00 0.00 N ATOM 1318 CA LYS A 84 -1.943 -13.413 -3.657 1.00 0.00 C ATOM 1319 C LYS A 84 -0.717 -12.880 -4.372 1.00 0.00 C ATOM 1320 O LYS A 84 -0.807 -11.885 -5.092 1.00 0.00 O ATOM 1321 CB LYS A 84 -2.351 -14.765 -4.213 1.00 0.00 C ATOM 1322 CG LYS A 84 -1.749 -15.890 -3.401 1.00 0.00 C ATOM 1323 CD LYS A 84 -1.426 -17.090 -4.271 1.00 0.00 C ATOM 1324 CE LYS A 84 -0.830 -18.225 -3.460 1.00 0.00 C ATOM 1325 NZ LYS A 84 -1.796 -18.764 -2.465 1.00 0.00 N ATOM 0 H LYS A 84 -3.049 -11.887 -4.566 1.00 0.00 H new ATOM 0 HA LYS A 84 -1.709 -13.581 -2.606 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -3.438 -14.851 -4.210 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -2.028 -14.848 -5.251 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -0.841 -15.540 -2.909 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -2.444 -16.185 -2.615 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -2.333 -17.434 -4.768 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -0.727 -16.795 -5.053 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -0.516 -19.025 -4.131 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.063 -17.872 -2.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -1.432 -19.657 -2.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -1.921 -18.077 -1.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -2.712 -18.935 -2.928 1.00 0.00 H new ATOM 1339 N MET A 85 0.428 -13.528 -4.182 1.00 0.00 N ATOM 1340 CA MET A 85 1.684 -12.954 -4.609 1.00 0.00 C ATOM 1341 C MET A 85 1.842 -13.152 -6.094 1.00 0.00 C ATOM 1342 O MET A 85 1.630 -14.245 -6.618 1.00 0.00 O ATOM 1343 CB MET A 85 2.879 -13.597 -3.884 1.00 0.00 C ATOM 1344 CG MET A 85 2.592 -14.069 -2.476 1.00 0.00 C ATOM 1345 SD MET A 85 4.017 -14.860 -1.703 1.00 0.00 S ATOM 1346 CE MET A 85 5.245 -13.562 -1.844 1.00 0.00 C ATOM 0 H MET A 85 0.505 -14.443 -3.738 1.00 0.00 H new ATOM 0 HA MET A 85 1.670 -11.892 -4.363 1.00 0.00 H new ATOM 0 HB2 MET A 85 3.228 -14.446 -4.472 1.00 0.00 H new ATOM 0 HB3 MET A 85 3.696 -12.876 -3.850 1.00 0.00 H new ATOM 0 HG2 MET A 85 2.280 -13.219 -1.869 1.00 0.00 H new ATOM 0 HG3 MET A 85 1.758 -14.771 -2.495 1.00 0.00 H new ATOM 0 HE1 MET A 85 5.894 -13.579 -0.969 1.00 0.00 H new ATOM 0 HE2 MET A 85 5.842 -13.722 -2.742 1.00 0.00 H new ATOM 0 HE3 MET A 85 4.746 -12.595 -1.907 1.00 0.00 H new ATOM 1356 N GLU A 86 2.210 -12.079 -6.757 1.00 0.00 N ATOM 1357 CA GLU A 86 2.335 -12.071 -8.189 1.00 0.00 C ATOM 1358 C GLU A 86 3.752 -12.439 -8.527 1.00 0.00 C ATOM 1359 O GLU A 86 4.663 -12.153 -7.748 1.00 0.00 O ATOM 1360 CB GLU A 86 1.982 -10.712 -8.749 1.00 0.00 C ATOM 1361 CG GLU A 86 1.130 -10.778 -9.991 1.00 0.00 C ATOM 1362 CD GLU A 86 1.637 -11.729 -11.059 1.00 0.00 C ATOM 1363 OE1 GLU A 86 1.479 -12.956 -10.901 1.00 0.00 O ATOM 1364 OE2 GLU A 86 2.189 -11.246 -12.068 1.00 0.00 O ATOM 0 H GLU A 86 2.431 -11.187 -6.313 1.00 0.00 H new ATOM 0 HA GLU A 86 1.646 -12.789 -8.633 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.455 -10.139 -7.986 1.00 0.00 H new ATOM 0 HB3 GLU A 86 2.901 -10.171 -8.976 1.00 0.00 H new ATOM 0 HG2 GLU A 86 0.121 -11.077 -9.707 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.058 -9.778 -10.419 1.00 0.00 H new ATOM 1371 N GLY A 87 3.915 -13.106 -9.654 1.00 0.00 N ATOM 1372 CA GLY A 87 5.176 -13.748 -9.977 1.00 0.00 C ATOM 1373 C GLY A 87 6.305 -12.790 -10.192 1.00 0.00 C ATOM 1374 O GLY A 87 6.702 -12.480 -11.318 1.00 0.00 O ATOM 0 H GLY A 87 3.189 -13.218 -10.362 1.00 0.00 H new ATOM 0 HA2 GLY A 87 5.441 -14.432 -9.171 1.00 0.00 H new ATOM 0 HA3 GLY A 87 5.046 -14.350 -10.877 1.00 0.00 H new ATOM 1378 N ASP A 88 6.785 -12.313 -9.084 1.00 0.00 N ATOM 1379 CA ASP A 88 7.931 -11.456 -9.023 1.00 0.00 C ATOM 1380 C ASP A 88 8.483 -11.444 -7.609 1.00 0.00 C ATOM 1381 O ASP A 88 9.481 -12.096 -7.312 1.00 0.00 O ATOM 1382 CB ASP A 88 7.570 -10.037 -9.444 1.00 0.00 C ATOM 1383 CG ASP A 88 8.666 -9.397 -10.269 1.00 0.00 C ATOM 1384 OD1 ASP A 88 9.789 -9.223 -9.754 1.00 0.00 O ATOM 1385 OD2 ASP A 88 8.412 -9.078 -11.450 1.00 0.00 O ATOM 0 H ASP A 88 6.379 -12.515 -8.170 1.00 0.00 H new ATOM 0 HA ASP A 88 8.686 -11.838 -9.710 1.00 0.00 H new ATOM 0 HB2 ASP A 88 6.645 -10.053 -10.020 1.00 0.00 H new ATOM 0 HB3 ASP A 88 7.383 -9.432 -8.557 1.00 0.00 H new ATOM 1390 N ASN A 89 7.776 -10.742 -6.727 1.00 0.00 N ATOM 1391 CA ASN A 89 8.319 -10.385 -5.409 1.00 0.00 C ATOM 1392 C ASN A 89 7.254 -10.343 -4.297 1.00 0.00 C ATOM 1393 O ASN A 89 7.520 -10.741 -3.169 1.00 0.00 O ATOM 1394 CB ASN A 89 9.020 -9.031 -5.487 1.00 0.00 C ATOM 1395 CG ASN A 89 10.518 -9.085 -5.794 1.00 0.00 C ATOM 1396 OD1 ASN A 89 11.261 -8.181 -5.420 1.00 0.00 O ATOM 1397 ND2 ASN A 89 10.984 -10.131 -6.451 1.00 0.00 N ATOM 0 H ASN A 89 6.827 -10.407 -6.896 1.00 0.00 H new ATOM 0 HA ASN A 89 9.025 -11.172 -5.144 1.00 0.00 H new ATOM 0 HB2 ASN A 89 8.530 -8.431 -6.254 1.00 0.00 H new ATOM 0 HB3 ASN A 89 8.879 -8.513 -4.539 1.00 0.00 H new ATOM 0 HD21 ASN A 89 11.980 -10.201 -6.658 1.00 0.00 H new ATOM 0 HD22 ASN A 89 10.348 -10.869 -6.751 1.00 0.00 H new ATOM 1404 N LYS A 90 6.094 -9.767 -4.591 1.00 0.00 N ATOM 1405 CA LYS A 90 5.008 -9.620 -3.605 1.00 0.00 C ATOM 1406 C LYS A 90 3.628 -9.713 -4.270 1.00 0.00 C ATOM 1407 O LYS A 90 3.533 -9.972 -5.469 1.00 0.00 O ATOM 1408 CB LYS A 90 5.126 -8.393 -2.699 1.00 0.00 C ATOM 1409 CG LYS A 90 4.373 -8.559 -1.401 1.00 0.00 C ATOM 1410 CD LYS A 90 4.757 -7.505 -0.383 1.00 0.00 C ATOM 1411 CE LYS A 90 4.165 -7.826 0.971 1.00 0.00 C ATOM 1412 NZ LYS A 90 4.482 -6.781 1.983 1.00 0.00 N ATOM 0 H LYS A 90 5.872 -9.388 -5.511 1.00 0.00 H new ATOM 0 HA LYS A 90 5.121 -10.469 -2.931 1.00 0.00 H new ATOM 0 HB2 LYS A 90 6.178 -8.204 -2.484 1.00 0.00 H new ATOM 0 HB3 LYS A 90 4.746 -7.518 -3.226 1.00 0.00 H new ATOM 0 HG2 LYS A 90 3.302 -8.503 -1.594 1.00 0.00 H new ATOM 0 HG3 LYS A 90 4.572 -9.549 -0.991 1.00 0.00 H new ATOM 0 HD2 LYS A 90 5.843 -7.446 -0.306 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.408 -6.527 -0.715 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.083 -7.925 0.879 1.00 0.00 H new ATOM 0 HE3 LYS A 90 4.545 -8.789 1.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.829 -6.867 2.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 5.459 -6.905 2.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 4.380 -5.839 1.553 1.00 0.00 H new ATOM 1426 N MET A 91 2.562 -9.528 -3.484 1.00 0.00 N ATOM 1427 CA MET A 91 1.214 -9.933 -3.862 1.00 0.00 C ATOM 1428 C MET A 91 0.432 -8.749 -4.399 1.00 0.00 C ATOM 1429 O MET A 91 0.688 -7.600 -4.046 1.00 0.00 O ATOM 1430 CB MET A 91 0.413 -10.417 -2.644 1.00 0.00 C ATOM 1431 CG MET A 91 1.078 -11.473 -1.791 1.00 0.00 C ATOM 1432 SD MET A 91 2.099 -10.766 -0.477 1.00 0.00 S ATOM 1433 CE MET A 91 2.588 -12.230 0.432 1.00 0.00 C ATOM 0 H MET A 91 2.616 -9.090 -2.564 1.00 0.00 H new ATOM 0 HA MET A 91 1.333 -10.723 -4.604 1.00 0.00 H new ATOM 0 HB2 MET A 91 0.192 -9.556 -2.014 1.00 0.00 H new ATOM 0 HB3 MET A 91 -0.542 -10.809 -2.994 1.00 0.00 H new ATOM 0 HG2 MET A 91 0.313 -12.111 -1.348 1.00 0.00 H new ATOM 0 HG3 MET A 91 1.697 -12.109 -2.424 1.00 0.00 H new ATOM 0 HE1 MET A 91 2.682 -11.987 1.490 1.00 0.00 H new ATOM 0 HE2 MET A 91 1.834 -13.006 0.304 1.00 0.00 H new ATOM 0 HE3 MET A 91 3.546 -12.589 0.055 1.00 0.00 H new ATOM 1443 N VAL A 92 -0.507 -9.052 -5.272 1.00 0.00 N ATOM 1444 CA VAL A 92 -1.350 -8.047 -5.882 1.00 0.00 C ATOM 1445 C VAL A 92 -2.788 -8.232 -5.419 1.00 0.00 C ATOM 1446 O VAL A 92 -3.269 -9.367 -5.297 1.00 0.00 O ATOM 1447 CB VAL A 92 -1.271 -8.126 -7.426 1.00 0.00 C ATOM 1448 CG1 VAL A 92 -2.364 -7.298 -8.087 1.00 0.00 C ATOM 1449 CG2 VAL A 92 0.094 -7.665 -7.907 1.00 0.00 C ATOM 0 H VAL A 92 -0.707 -10.004 -5.578 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.997 -7.063 -5.574 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.421 -9.167 -7.712 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -2.276 -7.378 -9.170 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.340 -7.668 -7.774 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -2.259 -6.254 -7.791 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.136 -7.726 -8.995 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.261 -6.634 -7.594 1.00 0.00 H new ATOM 0 HG23 VAL A 92 0.866 -8.304 -7.478 1.00 0.00 H new ATOM 1459 N THR A 93 -3.454 -7.122 -5.129 1.00 0.00 N ATOM 1460 CA THR A 93 -4.840 -7.152 -4.713 1.00 0.00 C ATOM 1461 C THR A 93 -5.619 -6.038 -5.405 1.00 0.00 C ATOM 1462 O THR A 93 -5.265 -4.862 -5.313 1.00 0.00 O ATOM 1463 CB THR A 93 -4.986 -7.044 -3.172 1.00 0.00 C ATOM 1464 OG1 THR A 93 -6.369 -6.961 -2.806 1.00 0.00 O ATOM 1465 CG2 THR A 93 -4.236 -5.837 -2.624 1.00 0.00 C ATOM 0 H THR A 93 -3.049 -6.187 -5.176 1.00 0.00 H new ATOM 0 HA THR A 93 -5.254 -8.116 -5.009 1.00 0.00 H new ATOM 0 HB THR A 93 -4.550 -7.943 -2.737 1.00 0.00 H new ATOM 0 HG1 THR A 93 -6.446 -6.895 -1.831 1.00 0.00 H new ATOM 0 HG21 THR A 93 -4.360 -5.792 -1.542 1.00 0.00 H new ATOM 0 HG22 THR A 93 -3.177 -5.927 -2.865 1.00 0.00 H new ATOM 0 HG23 THR A 93 -4.634 -4.927 -3.073 1.00 0.00 H new ATOM 1473 N THR A 94 -6.633 -6.422 -6.155 1.00 0.00 N ATOM 1474 CA THR A 94 -7.512 -5.466 -6.797 1.00 0.00 C ATOM 1475 C THR A 94 -8.782 -5.309 -5.963 1.00 0.00 C ATOM 1476 O THR A 94 -9.444 -6.299 -5.646 1.00 0.00 O ATOM 1477 CB THR A 94 -7.850 -5.926 -8.222 1.00 0.00 C ATOM 1478 OG1 THR A 94 -6.645 -6.325 -8.883 1.00 0.00 O ATOM 1479 CG2 THR A 94 -8.522 -4.823 -9.021 1.00 0.00 C ATOM 0 H THR A 94 -6.869 -7.398 -6.335 1.00 0.00 H new ATOM 0 HA THR A 94 -7.011 -4.501 -6.866 1.00 0.00 H new ATOM 0 HB THR A 94 -8.545 -6.763 -8.155 1.00 0.00 H new ATOM 0 HG1 THR A 94 -6.854 -6.622 -9.793 1.00 0.00 H new ATOM 0 HG21 THR A 94 -8.746 -5.185 -10.024 1.00 0.00 H new ATOM 0 HG22 THR A 94 -9.447 -4.528 -8.527 1.00 0.00 H new ATOM 0 HG23 THR A 94 -7.855 -3.963 -9.086 1.00 0.00 H new ATOM 1487 N PHE A 95 -9.128 -4.076 -5.616 1.00 0.00 N ATOM 1488 CA PHE A 95 -10.196 -3.830 -4.662 1.00 0.00 C ATOM 1489 C PHE A 95 -10.826 -2.466 -4.916 1.00 0.00 C ATOM 1490 O PHE A 95 -10.139 -1.522 -5.302 1.00 0.00 O ATOM 1491 CB PHE A 95 -9.664 -3.914 -3.224 1.00 0.00 C ATOM 1492 CG PHE A 95 -8.594 -2.909 -2.895 1.00 0.00 C ATOM 1493 CD1 PHE A 95 -7.257 -3.191 -3.127 1.00 0.00 C ATOM 1494 CD2 PHE A 95 -8.929 -1.683 -2.346 1.00 0.00 C ATOM 1495 CE1 PHE A 95 -6.277 -2.267 -2.820 1.00 0.00 C ATOM 1496 CE2 PHE A 95 -7.954 -0.756 -2.034 1.00 0.00 C ATOM 1497 CZ PHE A 95 -6.626 -1.048 -2.271 1.00 0.00 C ATOM 0 H PHE A 95 -8.684 -3.233 -5.981 1.00 0.00 H new ATOM 0 HA PHE A 95 -10.960 -4.597 -4.791 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -10.497 -3.779 -2.534 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -9.269 -4.915 -3.054 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -6.978 -4.144 -3.553 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -9.967 -1.448 -2.159 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -5.239 -2.497 -3.009 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -8.230 0.196 -1.605 1.00 0.00 H new ATOM 0 HZ PHE A 95 -5.861 -0.325 -2.028 1.00 0.00 H new ATOM 1507 N LYS A 96 -12.137 -2.381 -4.706 1.00 0.00 N ATOM 1508 CA LYS A 96 -12.904 -1.165 -4.957 1.00 0.00 C ATOM 1509 C LYS A 96 -12.709 -0.651 -6.382 1.00 0.00 C ATOM 1510 O LYS A 96 -12.855 0.543 -6.652 1.00 0.00 O ATOM 1511 CB LYS A 96 -12.544 -0.101 -3.947 1.00 0.00 C ATOM 1512 CG LYS A 96 -12.865 -0.559 -2.550 1.00 0.00 C ATOM 1513 CD LYS A 96 -12.780 0.559 -1.562 1.00 0.00 C ATOM 1514 CE LYS A 96 -13.984 1.473 -1.661 1.00 0.00 C ATOM 1515 NZ LYS A 96 -13.980 2.509 -0.600 1.00 0.00 N ATOM 0 H LYS A 96 -12.699 -3.157 -4.356 1.00 0.00 H new ATOM 0 HA LYS A 96 -13.960 -1.411 -4.848 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -11.482 0.134 -4.022 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -13.090 0.816 -4.168 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -13.868 -0.986 -2.530 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -12.175 -1.352 -2.261 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -12.712 0.152 -0.553 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -11.870 1.133 -1.736 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -13.995 1.955 -2.639 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -14.896 0.881 -1.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -14.906 2.524 -0.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -13.239 2.290 0.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -13.793 3.440 -1.024 1.00 0.00 H new ATOM 1529 N GLY A 97 -12.371 -1.564 -7.281 1.00 0.00 N ATOM 1530 CA GLY A 97 -12.157 -1.209 -8.666 1.00 0.00 C ATOM 1531 C GLY A 97 -10.702 -0.902 -8.980 1.00 0.00 C ATOM 1532 O GLY A 97 -10.302 -0.894 -10.144 1.00 0.00 O ATOM 0 H GLY A 97 -12.240 -2.554 -7.071 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -12.496 -2.027 -9.302 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -12.768 -0.340 -8.912 1.00 0.00 H new ATOM 1536 N ILE A 98 -9.902 -0.650 -7.949 1.00 0.00 N ATOM 1537 CA ILE A 98 -8.521 -0.248 -8.150 1.00 0.00 C ATOM 1538 C ILE A 98 -7.596 -1.444 -8.017 1.00 0.00 C ATOM 1539 O ILE A 98 -7.863 -2.367 -7.253 1.00 0.00 O ATOM 1540 CB ILE A 98 -8.101 0.880 -7.179 1.00 0.00 C ATOM 1541 CG1 ILE A 98 -7.663 0.345 -5.807 1.00 0.00 C ATOM 1542 CG2 ILE A 98 -9.249 1.855 -7.002 1.00 0.00 C ATOM 1543 CD1 ILE A 98 -6.163 0.184 -5.661 1.00 0.00 C ATOM 0 H ILE A 98 -10.187 -0.717 -6.972 1.00 0.00 H new ATOM 0 HA ILE A 98 -8.438 0.149 -9.162 1.00 0.00 H new ATOM 0 HB ILE A 98 -7.241 1.383 -7.621 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -8.023 1.022 -5.032 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -8.141 -0.620 -5.635 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -8.950 2.649 -6.317 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -9.511 2.288 -7.967 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -10.113 1.330 -6.594 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -5.933 -0.198 -4.666 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -5.797 -0.517 -6.412 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -5.678 1.150 -5.800 1.00 0.00 H new ATOM 1555 N LYS A 99 -6.512 -1.426 -8.762 1.00 0.00 N ATOM 1556 CA LYS A 99 -5.592 -2.546 -8.784 1.00 0.00 C ATOM 1557 C LYS A 99 -4.322 -2.176 -8.026 1.00 0.00 C ATOM 1558 O LYS A 99 -3.771 -1.100 -8.233 1.00 0.00 O ATOM 1559 CB LYS A 99 -5.257 -2.929 -10.229 1.00 0.00 C ATOM 1560 CG LYS A 99 -6.462 -3.083 -11.146 1.00 0.00 C ATOM 1561 CD LYS A 99 -6.937 -1.750 -11.704 1.00 0.00 C ATOM 1562 CE LYS A 99 -8.257 -1.913 -12.444 1.00 0.00 C ATOM 1563 NZ LYS A 99 -8.712 -0.646 -13.074 1.00 0.00 N ATOM 0 H LYS A 99 -6.244 -0.646 -9.363 1.00 0.00 H new ATOM 0 HA LYS A 99 -6.060 -3.404 -8.301 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -4.595 -2.170 -10.647 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.702 -3.867 -10.222 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -6.206 -3.749 -11.970 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -7.276 -3.555 -10.596 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -7.056 -1.033 -10.892 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -6.184 -1.344 -12.380 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -8.148 -2.679 -13.212 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -9.019 -2.265 -11.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -9.614 -0.807 -13.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -8.842 0.079 -12.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -7.998 -0.322 -13.758 1.00 0.00 H new ATOM 1577 N SER A 100 -3.863 -3.043 -7.135 1.00 0.00 N ATOM 1578 CA SER A 100 -2.703 -2.726 -6.314 1.00 0.00 C ATOM 1579 C SER A 100 -1.683 -3.861 -6.322 1.00 0.00 C ATOM 1580 O SER A 100 -1.987 -4.984 -5.927 1.00 0.00 O ATOM 1581 CB SER A 100 -3.155 -2.431 -4.884 1.00 0.00 C ATOM 1582 OG SER A 100 -2.093 -1.908 -4.099 1.00 0.00 O ATOM 0 H SER A 100 -4.271 -3.962 -6.963 1.00 0.00 H new ATOM 0 HA SER A 100 -2.217 -1.845 -6.734 1.00 0.00 H new ATOM 0 HB2 SER A 100 -3.980 -1.719 -4.902 1.00 0.00 H new ATOM 0 HB3 SER A 100 -3.532 -3.345 -4.425 1.00 0.00 H new ATOM 0 HG SER A 100 -2.415 -1.728 -3.191 1.00 0.00 H new ATOM 1588 N VAL A 101 -0.476 -3.556 -6.770 1.00 0.00 N ATOM 1589 CA VAL A 101 0.616 -4.512 -6.770 1.00 0.00 C ATOM 1590 C VAL A 101 1.601 -4.188 -5.651 1.00 0.00 C ATOM 1591 O VAL A 101 1.914 -3.025 -5.385 1.00 0.00 O ATOM 1592 CB VAL A 101 1.340 -4.589 -8.144 1.00 0.00 C ATOM 1593 CG1 VAL A 101 0.743 -3.616 -9.135 1.00 0.00 C ATOM 1594 CG2 VAL A 101 2.835 -4.393 -8.002 1.00 0.00 C ATOM 0 H VAL A 101 -0.227 -2.640 -7.143 1.00 0.00 H new ATOM 0 HA VAL A 101 0.186 -5.497 -6.590 1.00 0.00 H new ATOM 0 HB VAL A 101 1.185 -5.594 -8.537 1.00 0.00 H new ATOM 0 HG11 VAL A 101 1.271 -3.694 -10.085 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -0.311 -3.850 -9.285 1.00 0.00 H new ATOM 0 HG13 VAL A 101 0.838 -2.601 -8.750 1.00 0.00 H new ATOM 0 HG21 VAL A 101 3.305 -4.454 -8.984 1.00 0.00 H new ATOM 0 HG22 VAL A 101 3.034 -3.415 -7.564 1.00 0.00 H new ATOM 0 HG23 VAL A 101 3.244 -5.169 -7.355 1.00 0.00 H new ATOM 1604 N THR A 102 2.059 -5.221 -4.982 1.00 0.00 N ATOM 1605 CA THR A 102 3.069 -5.095 -3.963 1.00 0.00 C ATOM 1606 C THR A 102 4.224 -5.960 -4.368 1.00 0.00 C ATOM 1607 O THR A 102 4.015 -7.046 -4.895 1.00 0.00 O ATOM 1608 CB THR A 102 2.605 -5.536 -2.564 1.00 0.00 C ATOM 1609 OG1 THR A 102 1.176 -5.522 -2.478 1.00 0.00 O ATOM 1610 CG2 THR A 102 3.173 -4.607 -1.503 1.00 0.00 C ATOM 0 H THR A 102 1.738 -6.177 -5.132 1.00 0.00 H new ATOM 0 HA THR A 102 3.327 -4.039 -3.887 1.00 0.00 H new ATOM 0 HB THR A 102 2.966 -6.550 -2.395 1.00 0.00 H new ATOM 0 HG1 THR A 102 0.825 -6.404 -2.721 1.00 0.00 H new ATOM 0 HG21 THR A 102 2.837 -4.931 -0.518 1.00 0.00 H new ATOM 0 HG22 THR A 102 4.262 -4.634 -1.541 1.00 0.00 H new ATOM 0 HG23 THR A 102 2.828 -3.590 -1.688 1.00 0.00 H new ATOM 1618 N GLU A 103 5.420 -5.465 -4.197 1.00 0.00 N ATOM 1619 CA GLU A 103 6.606 -6.205 -4.529 1.00 0.00 C ATOM 1620 C GLU A 103 7.564 -6.192 -3.335 1.00 0.00 C ATOM 1621 O GLU A 103 7.716 -5.172 -2.671 1.00 0.00 O ATOM 1622 CB GLU A 103 7.209 -5.563 -5.771 1.00 0.00 C ATOM 1623 CG GLU A 103 8.479 -6.183 -6.240 1.00 0.00 C ATOM 1624 CD GLU A 103 9.101 -5.435 -7.400 1.00 0.00 C ATOM 1625 OE1 GLU A 103 8.682 -5.646 -8.560 1.00 0.00 O ATOM 1626 OE2 GLU A 103 10.002 -4.609 -7.153 1.00 0.00 O ATOM 0 H GLU A 103 5.599 -4.534 -3.822 1.00 0.00 H new ATOM 0 HA GLU A 103 6.389 -7.251 -4.745 1.00 0.00 H new ATOM 0 HB2 GLU A 103 6.478 -5.610 -6.578 1.00 0.00 H new ATOM 0 HB3 GLU A 103 7.390 -4.508 -5.566 1.00 0.00 H new ATOM 0 HG2 GLU A 103 9.188 -6.218 -5.413 1.00 0.00 H new ATOM 0 HG3 GLU A 103 8.287 -7.213 -6.539 1.00 0.00 H new ATOM 1633 N PHE A 104 8.151 -7.342 -3.014 1.00 0.00 N ATOM 1634 CA PHE A 104 9.047 -7.432 -1.867 1.00 0.00 C ATOM 1635 C PHE A 104 10.493 -7.614 -2.316 1.00 0.00 C ATOM 1636 O PHE A 104 10.880 -8.701 -2.745 1.00 0.00 O ATOM 1637 CB PHE A 104 8.641 -8.610 -0.985 1.00 0.00 C ATOM 1638 CG PHE A 104 8.845 -8.357 0.480 1.00 0.00 C ATOM 1639 CD1 PHE A 104 10.112 -8.402 1.037 1.00 0.00 C ATOM 1640 CD2 PHE A 104 7.768 -8.067 1.298 1.00 0.00 C ATOM 1641 CE1 PHE A 104 10.299 -8.163 2.382 1.00 0.00 C ATOM 1642 CE2 PHE A 104 7.949 -7.828 2.645 1.00 0.00 C ATOM 1643 CZ PHE A 104 9.215 -7.875 3.188 1.00 0.00 C ATOM 0 H PHE A 104 8.024 -8.215 -3.526 1.00 0.00 H new ATOM 0 HA PHE A 104 8.971 -6.502 -1.303 1.00 0.00 H new ATOM 0 HB2 PHE A 104 7.591 -8.842 -1.163 1.00 0.00 H new ATOM 0 HB3 PHE A 104 9.216 -9.488 -1.278 1.00 0.00 H new ATOM 0 HD1 PHE A 104 10.963 -8.627 0.411 1.00 0.00 H new ATOM 0 HD2 PHE A 104 6.774 -8.027 0.878 1.00 0.00 H new ATOM 0 HE1 PHE A 104 11.292 -8.201 2.805 1.00 0.00 H new ATOM 0 HE2 PHE A 104 7.099 -7.604 3.273 1.00 0.00 H new ATOM 0 HZ PHE A 104 9.359 -7.687 4.242 1.00 0.00 H new ATOM 1653 N ASN A 105 11.295 -6.572 -2.170 1.00 0.00 N ATOM 1654 CA ASN A 105 12.681 -6.611 -2.619 1.00 0.00 C ATOM 1655 C ASN A 105 13.629 -6.578 -1.428 1.00 0.00 C ATOM 1656 O ASN A 105 13.910 -5.514 -0.890 1.00 0.00 O ATOM 1657 CB ASN A 105 12.973 -5.415 -3.535 1.00 0.00 C ATOM 1658 CG ASN A 105 14.379 -5.448 -4.107 1.00 0.00 C ATOM 1659 OD1 ASN A 105 14.957 -6.516 -4.312 1.00 0.00 O ATOM 1660 ND2 ASN A 105 14.943 -4.277 -4.364 1.00 0.00 N ATOM 0 H ASN A 105 11.013 -5.689 -1.745 1.00 0.00 H new ATOM 0 HA ASN A 105 12.836 -7.538 -3.171 1.00 0.00 H new ATOM 0 HB2 ASN A 105 12.252 -5.404 -4.353 1.00 0.00 H new ATOM 0 HB3 ASN A 105 12.834 -4.490 -2.975 1.00 0.00 H new ATOM 0 HD21 ASN A 105 15.888 -4.239 -4.745 1.00 0.00 H new ATOM 0 HD22 ASN A 105 14.432 -3.414 -4.181 1.00 0.00 H new ATOM 1667 N GLY A 106 14.133 -7.740 -1.033 1.00 0.00 N ATOM 1668 CA GLY A 106 15.082 -7.805 0.068 1.00 0.00 C ATOM 1669 C GLY A 106 14.516 -7.277 1.374 1.00 0.00 C ATOM 1670 O GLY A 106 13.698 -7.933 2.019 1.00 0.00 O ATOM 0 H GLY A 106 13.903 -8.640 -1.454 1.00 0.00 H new ATOM 0 HA2 GLY A 106 15.397 -8.839 0.207 1.00 0.00 H new ATOM 0 HA3 GLY A 106 15.972 -7.233 -0.193 1.00 0.00 H new ATOM 1674 N ASP A 107 14.963 -6.088 1.760 1.00 0.00 N ATOM 1675 CA ASP A 107 14.487 -5.437 2.977 1.00 0.00 C ATOM 1676 C ASP A 107 13.629 -4.227 2.630 1.00 0.00 C ATOM 1677 O ASP A 107 13.156 -3.505 3.509 1.00 0.00 O ATOM 1678 CB ASP A 107 15.660 -5.010 3.869 1.00 0.00 C ATOM 1679 CG ASP A 107 16.624 -4.062 3.184 1.00 0.00 C ATOM 1680 OD1 ASP A 107 16.258 -2.894 2.961 1.00 0.00 O ATOM 1681 OD2 ASP A 107 17.759 -4.485 2.874 1.00 0.00 O ATOM 0 H ASP A 107 15.660 -5.551 1.244 1.00 0.00 H new ATOM 0 HA ASP A 107 13.882 -6.157 3.528 1.00 0.00 H new ATOM 0 HB2 ASP A 107 15.269 -4.532 4.767 1.00 0.00 H new ATOM 0 HB3 ASP A 107 16.203 -5.898 4.192 1.00 0.00 H new ATOM 1686 N THR A 108 13.429 -4.020 1.339 1.00 0.00 N ATOM 1687 CA THR A 108 12.622 -2.926 0.849 1.00 0.00 C ATOM 1688 C THR A 108 11.312 -3.440 0.251 1.00 0.00 C ATOM 1689 O THR A 108 11.206 -4.605 -0.136 1.00 0.00 O ATOM 1690 CB THR A 108 13.374 -2.112 -0.223 1.00 0.00 C ATOM 1691 OG1 THR A 108 14.169 -2.968 -1.052 1.00 0.00 O ATOM 1692 CG2 THR A 108 14.247 -1.055 0.415 1.00 0.00 C ATOM 0 H THR A 108 13.823 -4.608 0.605 1.00 0.00 H new ATOM 0 HA THR A 108 12.406 -2.281 1.701 1.00 0.00 H new ATOM 0 HB THR A 108 12.628 -1.619 -0.846 1.00 0.00 H new ATOM 0 HG1 THR A 108 13.724 -3.836 -1.148 1.00 0.00 H new ATOM 0 HG21 THR A 108 14.767 -0.495 -0.362 1.00 0.00 H new ATOM 0 HG22 THR A 108 13.627 -0.375 0.999 1.00 0.00 H new ATOM 0 HG23 THR A 108 14.978 -1.532 1.068 1.00 0.00 H new ATOM 1700 N ILE A 109 10.320 -2.571 0.183 1.00 0.00 N ATOM 1701 CA ILE A 109 9.035 -2.920 -0.405 1.00 0.00 C ATOM 1702 C ILE A 109 8.775 -2.026 -1.608 1.00 0.00 C ATOM 1703 O ILE A 109 9.107 -0.852 -1.591 1.00 0.00 O ATOM 1704 CB ILE A 109 7.869 -2.753 0.598 1.00 0.00 C ATOM 1705 CG1 ILE A 109 8.205 -3.418 1.936 1.00 0.00 C ATOM 1706 CG2 ILE A 109 6.583 -3.329 0.026 1.00 0.00 C ATOM 1707 CD1 ILE A 109 6.996 -3.690 2.808 1.00 0.00 C ATOM 0 H ILE A 109 10.378 -1.613 0.529 1.00 0.00 H new ATOM 0 HA ILE A 109 9.082 -3.969 -0.698 1.00 0.00 H new ATOM 0 HB ILE A 109 7.721 -1.687 0.772 1.00 0.00 H new ATOM 0 HG12 ILE A 109 8.721 -4.359 1.743 1.00 0.00 H new ATOM 0 HG13 ILE A 109 8.899 -2.780 2.483 1.00 0.00 H new ATOM 0 HG21 ILE A 109 5.775 -3.202 0.747 1.00 0.00 H new ATOM 0 HG22 ILE A 109 6.331 -2.809 -0.898 1.00 0.00 H new ATOM 0 HG23 ILE A 109 6.720 -4.390 -0.181 1.00 0.00 H new ATOM 0 HD11 ILE A 109 7.316 -4.162 3.737 1.00 0.00 H new ATOM 0 HD12 ILE A 109 6.491 -2.751 3.033 1.00 0.00 H new ATOM 0 HD13 ILE A 109 6.310 -4.354 2.282 1.00 0.00 H new ATOM 1719 N THR A 110 8.216 -2.582 -2.652 1.00 0.00 N ATOM 1720 CA THR A 110 7.877 -1.815 -3.832 1.00 0.00 C ATOM 1721 C THR A 110 6.366 -1.871 -4.086 1.00 0.00 C ATOM 1722 O THR A 110 5.817 -2.909 -4.429 1.00 0.00 O ATOM 1723 CB THR A 110 8.660 -2.353 -5.043 1.00 0.00 C ATOM 1724 OG1 THR A 110 9.440 -3.495 -4.653 1.00 0.00 O ATOM 1725 CG2 THR A 110 9.584 -1.277 -5.575 1.00 0.00 C ATOM 0 H THR A 110 7.982 -3.573 -2.712 1.00 0.00 H new ATOM 0 HA THR A 110 8.153 -0.772 -3.676 1.00 0.00 H new ATOM 0 HB THR A 110 7.953 -2.644 -5.819 1.00 0.00 H new ATOM 0 HG1 THR A 110 9.805 -3.930 -5.452 1.00 0.00 H new ATOM 0 HG21 THR A 110 10.136 -1.663 -6.432 1.00 0.00 H new ATOM 0 HG22 THR A 110 8.996 -0.412 -5.881 1.00 0.00 H new ATOM 0 HG23 THR A 110 10.285 -0.981 -4.795 1.00 0.00 H new ATOM 1733 N ASN A 111 5.703 -0.747 -3.897 1.00 0.00 N ATOM 1734 CA ASN A 111 4.252 -0.663 -4.018 1.00 0.00 C ATOM 1735 C ASN A 111 3.881 -0.057 -5.351 1.00 0.00 C ATOM 1736 O ASN A 111 4.279 1.064 -5.638 1.00 0.00 O ATOM 1737 CB ASN A 111 3.676 0.247 -2.923 1.00 0.00 C ATOM 1738 CG ASN A 111 2.160 0.167 -2.808 1.00 0.00 C ATOM 1739 OD1 ASN A 111 1.512 1.128 -2.392 1.00 0.00 O ATOM 1740 ND2 ASN A 111 1.580 -0.969 -3.173 1.00 0.00 N ATOM 0 H ASN A 111 6.151 0.137 -3.655 1.00 0.00 H new ATOM 0 HA ASN A 111 3.849 -1.671 -3.925 1.00 0.00 H new ATOM 0 HB2 ASN A 111 4.121 -0.023 -1.965 1.00 0.00 H new ATOM 0 HB3 ASN A 111 3.964 1.278 -3.129 1.00 0.00 H new ATOM 0 HD21 ASN A 111 0.566 -1.066 -3.113 1.00 0.00 H new ATOM 0 HD22 ASN A 111 2.148 -1.745 -3.513 1.00 0.00 H new ATOM 1747 N THR A 112 3.136 -0.774 -6.169 1.00 0.00 N ATOM 1748 CA THR A 112 2.623 -0.176 -7.377 1.00 0.00 C ATOM 1749 C THR A 112 1.100 -0.165 -7.317 1.00 0.00 C ATOM 1750 O THR A 112 0.462 -1.203 -7.357 1.00 0.00 O ATOM 1751 CB THR A 112 3.090 -0.949 -8.623 1.00 0.00 C ATOM 1752 OG1 THR A 112 4.490 -1.241 -8.517 1.00 0.00 O ATOM 1753 CG2 THR A 112 2.831 -0.142 -9.881 1.00 0.00 C ATOM 0 H THR A 112 2.879 -1.750 -6.021 1.00 0.00 H new ATOM 0 HA THR A 112 3.004 0.843 -7.452 1.00 0.00 H new ATOM 0 HB THR A 112 2.527 -1.880 -8.684 1.00 0.00 H new ATOM 0 HG1 THR A 112 4.782 -1.735 -9.312 1.00 0.00 H new ATOM 0 HG21 THR A 112 3.168 -0.706 -10.751 1.00 0.00 H new ATOM 0 HG22 THR A 112 1.764 0.060 -9.971 1.00 0.00 H new ATOM 0 HG23 THR A 112 3.375 0.801 -9.827 1.00 0.00 H new ATOM 1761 N MET A 113 0.523 1.005 -7.214 1.00 0.00 N ATOM 1762 CA MET A 113 -0.922 1.135 -7.208 1.00 0.00 C ATOM 1763 C MET A 113 -1.404 1.602 -8.561 1.00 0.00 C ATOM 1764 O MET A 113 -0.752 2.405 -9.216 1.00 0.00 O ATOM 1765 CB MET A 113 -1.388 2.140 -6.164 1.00 0.00 C ATOM 1766 CG MET A 113 -2.893 2.127 -5.990 1.00 0.00 C ATOM 1767 SD MET A 113 -3.497 3.452 -4.932 1.00 0.00 S ATOM 1768 CE MET A 113 -2.713 3.034 -3.374 1.00 0.00 C ATOM 0 H MET A 113 1.029 1.887 -7.133 1.00 0.00 H new ATOM 0 HA MET A 113 -1.335 0.155 -6.969 1.00 0.00 H new ATOM 0 HB2 MET A 113 -0.912 1.917 -5.209 1.00 0.00 H new ATOM 0 HB3 MET A 113 -1.066 3.140 -6.455 1.00 0.00 H new ATOM 0 HG2 MET A 113 -3.366 2.208 -6.969 1.00 0.00 H new ATOM 0 HG3 MET A 113 -3.195 1.168 -5.569 1.00 0.00 H new ATOM 0 HE1 MET A 113 -3.076 3.702 -2.593 1.00 0.00 H new ATOM 0 HE2 MET A 113 -2.953 2.004 -3.111 1.00 0.00 H new ATOM 0 HE3 MET A 113 -1.633 3.141 -3.470 1.00 0.00 H new ATOM 1778 N THR A 114 -2.525 1.078 -8.995 1.00 0.00 N ATOM 1779 CA THR A 114 -3.109 1.503 -10.244 1.00 0.00 C ATOM 1780 C THR A 114 -4.571 1.909 -10.056 1.00 0.00 C ATOM 1781 O THR A 114 -5.423 1.064 -9.764 1.00 0.00 O ATOM 1782 CB THR A 114 -3.036 0.378 -11.276 1.00 0.00 C ATOM 1783 OG1 THR A 114 -1.864 -0.421 -11.052 1.00 0.00 O ATOM 1784 CG2 THR A 114 -2.995 0.953 -12.671 1.00 0.00 C ATOM 0 H THR A 114 -3.051 0.357 -8.502 1.00 0.00 H new ATOM 0 HA THR A 114 -2.542 2.364 -10.597 1.00 0.00 H new ATOM 0 HB THR A 114 -3.923 -0.247 -11.172 1.00 0.00 H new ATOM 0 HG1 THR A 114 -1.826 -1.140 -11.717 1.00 0.00 H new ATOM 0 HG21 THR A 114 -2.943 0.142 -13.397 1.00 0.00 H new ATOM 0 HG22 THR A 114 -3.895 1.542 -12.848 1.00 0.00 H new ATOM 0 HG23 THR A 114 -2.117 1.591 -12.776 1.00 0.00 H new ATOM 1792 N LEU A 115 -4.867 3.189 -10.229 1.00 0.00 N ATOM 1793 CA LEU A 115 -6.248 3.643 -10.224 1.00 0.00 C ATOM 1794 C LEU A 115 -6.632 4.017 -11.639 1.00 0.00 C ATOM 1795 O LEU A 115 -6.250 5.071 -12.119 1.00 0.00 O ATOM 1796 CB LEU A 115 -6.426 4.856 -9.313 1.00 0.00 C ATOM 1797 CG LEU A 115 -7.727 4.868 -8.504 1.00 0.00 C ATOM 1798 CD1 LEU A 115 -8.003 6.251 -7.969 1.00 0.00 C ATOM 1799 CD2 LEU A 115 -8.890 4.396 -9.347 1.00 0.00 C ATOM 0 H LEU A 115 -4.176 3.925 -10.373 1.00 0.00 H new ATOM 0 HA LEU A 115 -6.885 2.842 -9.848 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -5.585 4.900 -8.622 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -6.385 5.759 -9.922 1.00 0.00 H new ATOM 0 HG LEU A 115 -7.609 4.183 -7.665 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -8.931 6.241 -7.397 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -7.182 6.562 -7.323 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -8.096 6.951 -8.800 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -9.802 4.413 -8.751 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -9.006 5.055 -10.208 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -8.701 3.379 -9.691 1.00 0.00 H new ATOM 1811 N GLY A 116 -7.440 3.180 -12.268 1.00 0.00 N ATOM 1812 CA GLY A 116 -7.795 3.374 -13.662 1.00 0.00 C ATOM 1813 C GLY A 116 -6.611 3.756 -14.538 1.00 0.00 C ATOM 1814 O GLY A 116 -5.857 2.891 -14.991 1.00 0.00 O ATOM 0 H GLY A 116 -7.862 2.359 -11.834 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -8.242 2.457 -14.047 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -8.555 4.152 -13.731 1.00 0.00 H new ATOM 1818 N ASP A 117 -6.433 5.056 -14.749 1.00 0.00 N ATOM 1819 CA ASP A 117 -5.359 5.563 -15.596 1.00 0.00 C ATOM 1820 C ASP A 117 -4.136 5.954 -14.768 1.00 0.00 C ATOM 1821 O ASP A 117 -2.999 5.796 -15.217 1.00 0.00 O ATOM 1822 CB ASP A 117 -5.849 6.769 -16.391 1.00 0.00 C ATOM 1823 CG ASP A 117 -4.778 7.349 -17.293 1.00 0.00 C ATOM 1824 OD1 ASP A 117 -4.017 8.228 -16.838 1.00 0.00 O ATOM 1825 OD2 ASP A 117 -4.702 6.936 -18.468 1.00 0.00 O ATOM 0 H ASP A 117 -7.023 5.782 -14.342 1.00 0.00 H new ATOM 0 HA ASP A 117 -5.066 4.767 -16.281 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -6.708 6.476 -16.995 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -6.193 7.539 -15.700 1.00 0.00 H new ATOM 1830 N ILE A 118 -4.369 6.441 -13.553 1.00 0.00 N ATOM 1831 CA ILE A 118 -3.280 6.927 -12.707 1.00 0.00 C ATOM 1832 C ILE A 118 -2.528 5.780 -12.057 1.00 0.00 C ATOM 1833 O ILE A 118 -3.129 4.837 -11.539 1.00 0.00 O ATOM 1834 CB ILE A 118 -3.754 7.891 -11.611 1.00 0.00 C ATOM 1835 CG1 ILE A 118 -5.013 7.368 -10.973 1.00 0.00 C ATOM 1836 CG2 ILE A 118 -4.005 9.245 -12.188 1.00 0.00 C ATOM 1837 CD1 ILE A 118 -5.578 8.259 -9.929 1.00 0.00 C ATOM 0 H ILE A 118 -5.296 6.510 -13.133 1.00 0.00 H new ATOM 0 HA ILE A 118 -2.617 7.474 -13.377 1.00 0.00 H new ATOM 0 HB ILE A 118 -2.975 7.968 -10.853 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -5.763 7.213 -11.748 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -4.806 6.394 -10.531 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -4.341 9.920 -11.400 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -3.085 9.630 -12.627 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -4.773 9.176 -12.958 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -6.483 7.811 -9.519 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -4.847 8.395 -9.132 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -5.819 9.227 -10.368 1.00 0.00 H new ATOM 1849 N VAL A 119 -1.214 5.852 -12.094 1.00 0.00 N ATOM 1850 CA VAL A 119 -0.394 4.859 -11.438 1.00 0.00 C ATOM 1851 C VAL A 119 0.319 5.498 -10.246 1.00 0.00 C ATOM 1852 O VAL A 119 0.707 6.665 -10.296 1.00 0.00 O ATOM 1853 CB VAL A 119 0.622 4.214 -12.413 1.00 0.00 C ATOM 1854 CG1 VAL A 119 1.887 5.039 -12.536 1.00 0.00 C ATOM 1855 CG2 VAL A 119 0.930 2.785 -11.996 1.00 0.00 C ATOM 0 H VAL A 119 -0.693 6.587 -12.571 1.00 0.00 H new ATOM 0 HA VAL A 119 -1.041 4.056 -11.084 1.00 0.00 H new ATOM 0 HB VAL A 119 0.164 4.189 -13.402 1.00 0.00 H new ATOM 0 HG11 VAL A 119 2.573 4.552 -13.229 1.00 0.00 H new ATOM 0 HG12 VAL A 119 1.639 6.032 -12.909 1.00 0.00 H new ATOM 0 HG13 VAL A 119 2.361 5.127 -11.558 1.00 0.00 H new ATOM 0 HG21 VAL A 119 1.645 2.349 -12.693 1.00 0.00 H new ATOM 0 HG22 VAL A 119 1.354 2.782 -10.992 1.00 0.00 H new ATOM 0 HG23 VAL A 119 0.012 2.198 -12.004 1.00 0.00 H new ATOM 1865 N TYR A 120 0.446 4.745 -9.174 1.00 0.00 N ATOM 1866 CA TYR A 120 1.051 5.231 -7.944 1.00 0.00 C ATOM 1867 C TYR A 120 2.123 4.251 -7.498 1.00 0.00 C ATOM 1868 O TYR A 120 1.926 3.052 -7.576 1.00 0.00 O ATOM 1869 CB TYR A 120 -0.022 5.374 -6.856 1.00 0.00 C ATOM 1870 CG TYR A 120 0.479 6.005 -5.579 1.00 0.00 C ATOM 1871 CD1 TYR A 120 1.232 7.170 -5.610 1.00 0.00 C ATOM 1872 CD2 TYR A 120 0.195 5.439 -4.344 1.00 0.00 C ATOM 1873 CE1 TYR A 120 1.693 7.754 -4.451 1.00 0.00 C ATOM 1874 CE2 TYR A 120 0.649 6.018 -3.177 1.00 0.00 C ATOM 1875 CZ TYR A 120 1.399 7.174 -3.234 1.00 0.00 C ATOM 1876 OH TYR A 120 1.858 7.746 -2.070 1.00 0.00 O ATOM 0 H TYR A 120 0.133 3.775 -9.127 1.00 0.00 H new ATOM 0 HA TYR A 120 1.503 6.208 -8.117 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -0.844 5.973 -7.247 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -0.427 4.388 -6.628 1.00 0.00 H new ATOM 0 HD1 TYR A 120 1.461 7.628 -6.561 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -0.390 4.532 -4.296 1.00 0.00 H new ATOM 0 HE1 TYR A 120 2.280 8.659 -4.494 1.00 0.00 H new ATOM 0 HE2 TYR A 120 0.418 5.568 -2.223 1.00 0.00 H new ATOM 0 HH TYR A 120 1.232 7.552 -1.341 1.00 0.00 H new ATOM 1886 N LYS A 121 3.268 4.732 -7.061 1.00 0.00 N ATOM 1887 CA LYS A 121 4.321 3.824 -6.640 1.00 0.00 C ATOM 1888 C LYS A 121 4.948 4.296 -5.339 1.00 0.00 C ATOM 1889 O LYS A 121 5.144 5.490 -5.143 1.00 0.00 O ATOM 1890 CB LYS A 121 5.386 3.721 -7.726 1.00 0.00 C ATOM 1891 CG LYS A 121 5.994 2.341 -7.882 1.00 0.00 C ATOM 1892 CD LYS A 121 7.208 2.167 -7.000 1.00 0.00 C ATOM 1893 CE LYS A 121 7.942 0.883 -7.322 1.00 0.00 C ATOM 1894 NZ LYS A 121 8.479 0.872 -8.708 1.00 0.00 N ATOM 0 H LYS A 121 3.494 5.724 -6.988 1.00 0.00 H new ATOM 0 HA LYS A 121 3.883 2.840 -6.475 1.00 0.00 H new ATOM 0 HB2 LYS A 121 4.947 4.020 -8.678 1.00 0.00 H new ATOM 0 HB3 LYS A 121 6.182 4.432 -7.505 1.00 0.00 H new ATOM 0 HG2 LYS A 121 5.250 1.584 -7.632 1.00 0.00 H new ATOM 0 HG3 LYS A 121 6.274 2.181 -8.923 1.00 0.00 H new ATOM 0 HD2 LYS A 121 7.880 3.015 -7.131 1.00 0.00 H new ATOM 0 HD3 LYS A 121 6.902 2.161 -5.954 1.00 0.00 H new ATOM 0 HE2 LYS A 121 8.762 0.749 -6.616 1.00 0.00 H new ATOM 0 HE3 LYS A 121 7.266 0.038 -7.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 9.237 0.163 -8.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 7.717 0.633 -9.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 8.860 1.811 -8.940 1.00 0.00 H new ATOM 1908 N ARG A 122 5.233 3.367 -4.438 1.00 0.00 N ATOM 1909 CA ARG A 122 5.955 3.686 -3.219 1.00 0.00 C ATOM 1910 C ARG A 122 6.988 2.610 -2.933 1.00 0.00 C ATOM 1911 O ARG A 122 6.774 1.450 -3.239 1.00 0.00 O ATOM 1912 CB ARG A 122 5.019 3.815 -2.014 1.00 0.00 C ATOM 1913 CG ARG A 122 3.817 4.704 -2.240 1.00 0.00 C ATOM 1914 CD ARG A 122 2.904 4.713 -1.028 1.00 0.00 C ATOM 1915 NE ARG A 122 2.329 3.392 -0.768 1.00 0.00 N ATOM 1916 CZ ARG A 122 2.188 2.868 0.445 1.00 0.00 C ATOM 1917 NH1 ARG A 122 2.603 3.543 1.513 1.00 0.00 N ATOM 1918 NH2 ARG A 122 1.640 1.669 0.586 1.00 0.00 N ATOM 0 H ARG A 122 4.974 2.385 -4.530 1.00 0.00 H new ATOM 0 HA ARG A 122 6.443 4.648 -3.374 1.00 0.00 H new ATOM 0 HB2 ARG A 122 4.671 2.821 -1.733 1.00 0.00 H new ATOM 0 HB3 ARG A 122 5.588 4.204 -1.169 1.00 0.00 H new ATOM 0 HG2 ARG A 122 4.148 5.720 -2.456 1.00 0.00 H new ATOM 0 HG3 ARG A 122 3.264 4.357 -3.113 1.00 0.00 H new ATOM 0 HD2 ARG A 122 3.465 5.043 -0.154 1.00 0.00 H new ATOM 0 HD3 ARG A 122 2.102 5.434 -1.183 1.00 0.00 H new ATOM 0 HE ARG A 122 2.017 2.840 -1.567 1.00 0.00 H new ATOM 0 HH11 ARG A 122 3.029 4.463 1.401 1.00 0.00 H new ATOM 0 HH12 ARG A 122 2.495 3.141 2.444 1.00 0.00 H new ATOM 0 HH21 ARG A 122 1.328 1.151 -0.235 1.00 0.00 H new ATOM 0 HH22 ARG A 122 1.531 1.264 1.516 1.00 0.00 H new ATOM 1932 N VAL A 123 8.113 2.998 -2.378 1.00 0.00 N ATOM 1933 CA VAL A 123 9.145 2.057 -1.999 1.00 0.00 C ATOM 1934 C VAL A 123 9.374 2.117 -0.490 1.00 0.00 C ATOM 1935 O VAL A 123 9.767 3.148 0.036 1.00 0.00 O ATOM 1936 CB VAL A 123 10.456 2.352 -2.746 1.00 0.00 C ATOM 1937 CG1 VAL A 123 11.527 1.333 -2.386 1.00 0.00 C ATOM 1938 CG2 VAL A 123 10.198 2.363 -4.246 1.00 0.00 C ATOM 0 H VAL A 123 8.340 3.972 -2.176 1.00 0.00 H new ATOM 0 HA VAL A 123 8.816 1.054 -2.272 1.00 0.00 H new ATOM 0 HB VAL A 123 10.822 3.333 -2.444 1.00 0.00 H new ATOM 0 HG11 VAL A 123 12.445 1.563 -2.927 1.00 0.00 H new ATOM 0 HG12 VAL A 123 11.719 1.370 -1.314 1.00 0.00 H new ATOM 0 HG13 VAL A 123 11.186 0.334 -2.659 1.00 0.00 H new ATOM 0 HG21 VAL A 123 11.128 2.572 -4.774 1.00 0.00 H new ATOM 0 HG22 VAL A 123 9.816 1.391 -4.557 1.00 0.00 H new ATOM 0 HG23 VAL A 123 9.465 3.134 -4.483 1.00 0.00 H new ATOM 1948 N SER A 124 9.140 1.011 0.189 1.00 0.00 N ATOM 1949 CA SER A 124 9.218 0.947 1.643 1.00 0.00 C ATOM 1950 C SER A 124 10.555 0.378 2.099 1.00 0.00 C ATOM 1951 O SER A 124 11.198 -0.369 1.372 1.00 0.00 O ATOM 1952 CB SER A 124 8.062 0.089 2.168 1.00 0.00 C ATOM 1953 OG SER A 124 6.858 0.837 2.239 1.00 0.00 O ATOM 0 H SER A 124 8.889 0.125 -0.250 1.00 0.00 H new ATOM 0 HA SER A 124 9.139 1.956 2.046 1.00 0.00 H new ATOM 0 HB2 SER A 124 7.920 -0.773 1.516 1.00 0.00 H new ATOM 0 HB3 SER A 124 8.312 -0.297 3.156 1.00 0.00 H new ATOM 0 HG SER A 124 6.401 0.642 3.084 1.00 0.00 H new ATOM 1959 N LYS A 125 10.977 0.765 3.288 1.00 0.00 N ATOM 1960 CA LYS A 125 12.259 0.348 3.829 1.00 0.00 C ATOM 1961 C LYS A 125 12.101 -0.197 5.231 1.00 0.00 C ATOM 1962 O LYS A 125 11.314 0.305 6.016 1.00 0.00 O ATOM 1963 CB LYS A 125 13.198 1.547 3.857 1.00 0.00 C ATOM 1964 CG LYS A 125 14.598 1.236 4.338 1.00 0.00 C ATOM 1965 CD LYS A 125 15.216 0.140 3.507 1.00 0.00 C ATOM 1966 CE LYS A 125 16.725 0.299 3.407 1.00 0.00 C ATOM 1967 NZ LYS A 125 17.317 -0.604 2.388 1.00 0.00 N ATOM 0 H LYS A 125 10.443 1.376 3.906 1.00 0.00 H new ATOM 0 HA LYS A 125 12.668 -0.440 3.197 1.00 0.00 H new ATOM 0 HB2 LYS A 125 13.257 1.969 2.854 1.00 0.00 H new ATOM 0 HB3 LYS A 125 12.768 2.314 4.501 1.00 0.00 H new ATOM 0 HG2 LYS A 125 15.215 2.133 4.282 1.00 0.00 H new ATOM 0 HG3 LYS A 125 14.569 0.933 5.385 1.00 0.00 H new ATOM 0 HD2 LYS A 125 14.980 -0.829 3.947 1.00 0.00 H new ATOM 0 HD3 LYS A 125 14.781 0.151 2.508 1.00 0.00 H new ATOM 0 HE2 LYS A 125 16.964 1.333 3.157 1.00 0.00 H new ATOM 0 HE3 LYS A 125 17.176 0.093 4.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 18.308 -0.801 2.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 16.783 -1.496 2.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 17.275 -0.148 1.454 1.00 0.00 H new ATOM 1981 N ARG A 126 12.871 -1.212 5.541 1.00 0.00 N ATOM 1982 CA ARG A 126 12.880 -1.771 6.884 1.00 0.00 C ATOM 1983 C ARG A 126 13.461 -0.762 7.865 1.00 0.00 C ATOM 1984 O ARG A 126 14.524 -0.188 7.617 1.00 0.00 O ATOM 1985 CB ARG A 126 13.687 -3.064 6.907 1.00 0.00 C ATOM 1986 CG ARG A 126 12.828 -4.311 6.922 1.00 0.00 C ATOM 1987 CD ARG A 126 13.625 -5.536 6.513 1.00 0.00 C ATOM 1988 NE ARG A 126 12.768 -6.708 6.321 1.00 0.00 N ATOM 1989 CZ ARG A 126 13.164 -7.852 5.759 1.00 0.00 C ATOM 1990 NH1 ARG A 126 14.436 -8.039 5.429 1.00 0.00 N ATOM 1991 NH2 ARG A 126 12.284 -8.821 5.548 1.00 0.00 N ATOM 0 H ARG A 126 13.502 -1.673 4.885 1.00 0.00 H new ATOM 0 HA ARG A 126 11.856 -1.996 7.182 1.00 0.00 H new ATOM 0 HB2 ARG A 126 14.339 -3.092 6.034 1.00 0.00 H new ATOM 0 HB3 ARG A 126 14.331 -3.065 7.786 1.00 0.00 H new ATOM 0 HG2 ARG A 126 12.416 -4.459 7.920 1.00 0.00 H new ATOM 0 HG3 ARG A 126 11.984 -4.181 6.245 1.00 0.00 H new ATOM 0 HD2 ARG A 126 14.165 -5.326 5.589 1.00 0.00 H new ATOM 0 HD3 ARG A 126 14.372 -5.754 7.276 1.00 0.00 H new ATOM 0 HE ARG A 126 11.801 -6.646 6.639 1.00 0.00 H new ATOM 0 HH11 ARG A 126 15.122 -7.305 5.604 1.00 0.00 H new ATOM 0 HH12 ARG A 126 14.728 -8.917 5.000 1.00 0.00 H new ATOM 0 HH21 ARG A 126 11.308 -8.691 5.815 1.00 0.00 H new ATOM 0 HH22 ARG A 126 12.583 -9.697 5.119 1.00 0.00 H new ATOM 2005 N ILE A 127 12.758 -0.529 8.962 1.00 0.00 N ATOM 2006 CA ILE A 127 13.224 0.409 9.969 1.00 0.00 C ATOM 2007 C ILE A 127 13.950 -0.330 11.089 1.00 0.00 C ATOM 2008 O ILE A 127 15.191 -0.466 11.013 1.00 0.00 O ATOM 2009 CB ILE A 127 12.085 1.253 10.578 1.00 0.00 C ATOM 2010 CG1 ILE A 127 10.776 0.467 10.575 1.00 0.00 C ATOM 2011 CG2 ILE A 127 11.969 2.605 9.886 1.00 0.00 C ATOM 2012 CD1 ILE A 127 9.696 1.114 9.782 1.00 0.00 C ATOM 2013 OXT ILE A 127 13.278 -0.802 12.029 1.00 0.00 O ATOM 0 H ILE A 127 11.866 -0.975 9.177 1.00 0.00 H new ATOM 0 HA ILE A 127 13.906 1.090 9.460 1.00 0.00 H new ATOM 0 HB ILE A 127 12.324 1.466 11.620 1.00 0.00 H new ATOM 0 HG12 ILE A 127 10.961 -0.530 10.176 1.00 0.00 H new ATOM 0 HG13 ILE A 127 10.435 0.341 11.603 1.00 0.00 H new ATOM 0 HG21 ILE A 127 11.158 3.176 10.337 1.00 0.00 H new ATOM 0 HG22 ILE A 127 12.905 3.153 9.998 1.00 0.00 H new ATOM 0 HG23 ILE A 127 11.761 2.455 8.827 1.00 0.00 H new ATOM 0 HD11 ILE A 127 8.796 0.501 9.824 1.00 0.00 H new ATOM 0 HD12 ILE A 127 9.483 2.100 10.194 1.00 0.00 H new ATOM 0 HD13 ILE A 127 10.017 1.216 8.745 1.00 0.00 H new TER 2025 ILE A 127