USER MOD reduce.3.24.130724 H: found=0, std=0, add=939, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 931 hydrogens (64 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 109 HIS : no HE2:sc= -0.0709 K(o=0.17,f=-0.44) USER MOD Set 1.2: A 202 PLM O1 : rot -113:sc= 0.241 USER MOD Set 2.1: A 62 THR OG1 : rot -160:sc= -0.812 USER MOD Set 2.2: A 92 SER OG : rot 180:sc= -0.614 USER MOD Set 3.1: A 30 GLN : amide:sc= -5.57 K(o=-10,f=-15!) USER MOD Set 3.2: A 32 ASN : amide:sc= -1.61 K(o=-10,f=-17!) USER MOD Set 3.3: A 41 GLN : amide:sc= -2.85 K(o=-10,f=-18!) USER MOD Set 3.4: A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 69:sc= 0.62 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 81:sc= 0.312 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 147:sc= -0.121 (180deg=-0.836) USER MOD Single : A 53 GLN :FLIP amide:sc= -0.732 F(o=-1.3!,f=-0.73) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 70 MET CE :methyl -164:sc= -8.05! (180deg=-9.09!) USER MOD Single : A 74 SER OG : rot 140:sc= -0.917 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 HIS : no HD1:sc= -0.112 X(o=-0.11,f=0) USER MOD Single : A 107 HIS : no HD1:sc= -1.9! C(o=-1.9!,f=-3.6!) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 110 HIS : no HD1:sc= -0.214 X(o=-0.21,f=-0.08) USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=-0.0015) USER MOD Single : A 201 PLM O1 : rot 130:sc= -1.84 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.760 1.123 0.312 1.00 30.34 N ATOM 2 CA MET A 1 4.401 0.536 -0.859 1.00 43.23 C ATOM 3 C MET A 1 4.991 -0.831 -0.527 1.00 31.55 C ATOM 4 O MET A 1 5.863 -0.949 0.334 1.00 14.10 O ATOM 5 CB MET A 1 5.497 1.464 -1.385 1.00 53.32 C ATOM 6 CG MET A 1 5.050 2.334 -2.549 1.00 61.53 C ATOM 7 SD MET A 1 6.412 2.783 -3.643 1.00 43.22 S ATOM 8 CE MET A 1 7.077 4.208 -2.786 1.00 4.20 C ATOM 0 H1 MET A 1 3.366 2.053 0.063 1.00 30.34 H new ATOM 0 H2 MET A 1 2.995 0.499 0.638 1.00 30.34 H new ATOM 0 H3 MET A 1 4.462 1.237 1.071 1.00 30.34 H new ATOM 0 HA MET A 1 3.643 0.407 -1.632 1.00 43.23 H new ATOM 0 HB2 MET A 1 5.839 2.106 -0.573 1.00 53.32 H new ATOM 0 HB3 MET A 1 6.351 0.863 -1.698 1.00 53.32 H new ATOM 0 HG2 MET A 1 4.288 1.805 -3.122 1.00 61.53 H new ATOM 0 HG3 MET A 1 4.585 3.241 -2.162 1.00 61.53 H new ATOM 0 HE1 MET A 1 7.929 4.601 -3.341 1.00 4.20 H new ATOM 0 HE2 MET A 1 6.308 4.977 -2.708 1.00 4.20 H new ATOM 0 HE3 MET A 1 7.399 3.914 -1.787 1.00 4.20 H new ATOM 18 N SER A 2 4.510 -1.861 -1.217 1.00 23.13 N ATOM 19 CA SER A 2 4.988 -3.220 -0.992 1.00 70.22 C ATOM 20 C SER A 2 4.403 -4.179 -2.026 1.00 60.42 C ATOM 21 O SER A 2 3.624 -3.778 -2.890 1.00 33.03 O ATOM 22 CB SER A 2 4.621 -3.686 0.418 1.00 14.01 C ATOM 23 OG SER A 2 5.589 -4.588 0.925 1.00 44.23 O ATOM 0 H SER A 2 3.791 -1.780 -1.935 1.00 23.13 H new ATOM 0 HA SER A 2 6.073 -3.219 -1.095 1.00 70.22 H new ATOM 0 HB2 SER A 2 4.541 -2.824 1.080 1.00 14.01 H new ATOM 0 HB3 SER A 2 3.643 -4.168 0.402 1.00 14.01 H new ATOM 0 HG SER A 2 5.332 -4.870 1.828 1.00 44.23 H new ATOM 29 N VAL A 3 4.787 -5.448 -1.929 1.00 5.10 N ATOM 30 CA VAL A 3 4.300 -6.465 -2.854 1.00 74.43 C ATOM 31 C VAL A 3 2.793 -6.653 -2.722 1.00 53.33 C ATOM 32 O VAL A 3 2.118 -7.025 -3.681 1.00 14.34 O ATOM 33 CB VAL A 3 4.998 -7.818 -2.616 1.00 11.31 C ATOM 34 CG1 VAL A 3 6.502 -7.630 -2.500 1.00 62.02 C ATOM 35 CG2 VAL A 3 4.438 -8.494 -1.374 1.00 71.40 C ATOM 0 H VAL A 3 5.433 -5.796 -1.220 1.00 5.10 H new ATOM 0 HA VAL A 3 4.532 -6.116 -3.860 1.00 74.43 H new ATOM 0 HB VAL A 3 4.803 -8.464 -3.472 1.00 11.31 H new ATOM 0 HG11 VAL A 3 6.978 -8.596 -2.332 1.00 62.02 H new ATOM 0 HG12 VAL A 3 6.886 -7.192 -3.421 1.00 62.02 H new ATOM 0 HG13 VAL A 3 6.722 -6.967 -1.663 1.00 62.02 H new ATOM 0 HG21 VAL A 3 4.942 -9.448 -1.221 1.00 71.40 H new ATOM 0 HG22 VAL A 3 4.601 -7.854 -0.507 1.00 71.40 H new ATOM 0 HG23 VAL A 3 3.369 -8.665 -1.503 1.00 71.40 H new ATOM 45 N GLU A 4 2.272 -6.392 -1.527 1.00 43.03 N ATOM 46 CA GLU A 4 0.844 -6.532 -1.270 1.00 11.43 C ATOM 47 C GLU A 4 0.025 -5.905 -2.395 1.00 22.33 C ATOM 48 O GLU A 4 -1.031 -6.417 -2.771 1.00 35.51 O ATOM 49 CB GLU A 4 0.477 -5.884 0.066 1.00 73.40 C ATOM 50 CG GLU A 4 0.737 -4.388 0.108 1.00 34.13 C ATOM 51 CD GLU A 4 0.671 -3.823 1.513 1.00 73.21 C ATOM 52 OE1 GLU A 4 -0.080 -4.381 2.341 1.00 60.22 O ATOM 53 OE2 GLU A 4 1.369 -2.824 1.786 1.00 42.52 O1- ATOM 0 H GLU A 4 2.817 -6.083 -0.722 1.00 43.03 H new ATOM 0 HA GLU A 4 0.612 -7.596 -1.224 1.00 11.43 H new ATOM 0 HB2 GLU A 4 -0.578 -6.067 0.271 1.00 73.40 H new ATOM 0 HB3 GLU A 4 1.045 -6.366 0.862 1.00 73.40 H new ATOM 0 HG2 GLU A 4 1.720 -4.182 -0.316 1.00 34.13 H new ATOM 0 HG3 GLU A 4 0.006 -3.878 -0.519 1.00 34.13 H new ATOM 60 N THR A 5 0.518 -4.792 -2.929 1.00 74.04 N ATOM 61 CA THR A 5 -0.167 -4.093 -4.009 1.00 61.14 C ATOM 62 C THR A 5 0.126 -4.741 -5.357 1.00 11.11 C ATOM 63 O THR A 5 -0.766 -4.885 -6.193 1.00 53.10 O ATOM 64 CB THR A 5 0.241 -2.609 -4.066 1.00 23.45 C ATOM 65 OG1 THR A 5 1.157 -2.312 -3.006 1.00 72.15 O ATOM 66 CG2 THR A 5 -0.978 -1.707 -3.956 1.00 71.31 C ATOM 0 H THR A 5 1.390 -4.355 -2.631 1.00 74.04 H new ATOM 0 HA THR A 5 -1.235 -4.161 -3.801 1.00 61.14 H new ATOM 0 HB THR A 5 0.724 -2.425 -5.026 1.00 23.45 H new ATOM 0 HG1 THR A 5 2.010 -2.763 -3.175 1.00 72.15 H new ATOM 0 HG21 THR A 5 -0.664 -0.664 -3.999 1.00 71.31 H new ATOM 0 HG22 THR A 5 -1.660 -1.915 -4.781 1.00 71.31 H new ATOM 0 HG23 THR A 5 -1.485 -1.895 -3.010 1.00 71.31 H new ATOM 74 N ILE A 6 1.379 -5.131 -5.560 1.00 14.44 N ATOM 75 CA ILE A 6 1.788 -5.765 -6.807 1.00 13.03 C ATOM 76 C ILE A 6 1.075 -7.098 -7.005 1.00 73.35 C ATOM 77 O ILE A 6 0.416 -7.316 -8.023 1.00 33.51 O ATOM 78 CB ILE A 6 3.310 -5.999 -6.847 1.00 41.41 C ATOM 79 CG1 ILE A 6 4.038 -4.704 -7.212 1.00 24.24 C ATOM 80 CG2 ILE A 6 3.650 -7.103 -7.838 1.00 42.51 C ATOM 81 CD1 ILE A 6 4.073 -3.693 -6.088 1.00 64.21 C ATOM 0 H ILE A 6 2.129 -5.019 -4.877 1.00 14.44 H new ATOM 0 HA ILE A 6 1.512 -5.084 -7.612 1.00 13.03 H new ATOM 0 HB ILE A 6 3.641 -6.312 -5.857 1.00 41.41 H new ATOM 0 HG12 ILE A 6 5.060 -4.942 -7.508 1.00 24.24 H new ATOM 0 HG13 ILE A 6 3.552 -4.255 -8.078 1.00 24.24 H new ATOM 0 HG21 ILE A 6 4.729 -7.257 -7.855 1.00 42.51 H new ATOM 0 HG22 ILE A 6 3.156 -8.027 -7.537 1.00 42.51 H new ATOM 0 HG23 ILE A 6 3.308 -6.817 -8.833 1.00 42.51 H new ATOM 0 HD11 ILE A 6 4.604 -2.800 -6.418 1.00 64.21 H new ATOM 0 HD12 ILE A 6 3.054 -3.426 -5.807 1.00 64.21 H new ATOM 0 HD13 ILE A 6 4.586 -4.123 -5.228 1.00 64.21 H new ATOM 93 N ILE A 7 1.209 -7.986 -6.026 1.00 51.41 N ATOM 94 CA ILE A 7 0.575 -9.297 -6.091 1.00 0.02 C ATOM 95 C ILE A 7 -0.940 -9.169 -6.207 1.00 53.31 C ATOM 96 O ILE A 7 -1.596 -9.996 -6.841 1.00 54.10 O ATOM 97 CB ILE A 7 0.913 -10.149 -4.854 1.00 13.24 C ATOM 98 CG1 ILE A 7 2.426 -10.357 -4.750 1.00 70.25 C ATOM 99 CG2 ILE A 7 0.192 -11.487 -4.918 1.00 54.25 C ATOM 100 CD1 ILE A 7 3.033 -10.996 -5.979 1.00 52.51 C ATOM 0 H ILE A 7 1.751 -7.821 -5.178 1.00 51.41 H new ATOM 0 HA ILE A 7 0.966 -9.792 -6.980 1.00 0.02 H new ATOM 0 HB ILE A 7 0.575 -9.620 -3.963 1.00 13.24 H new ATOM 0 HG12 ILE A 7 2.906 -9.394 -4.576 1.00 70.25 H new ATOM 0 HG13 ILE A 7 2.640 -10.981 -3.882 1.00 70.25 H new ATOM 0 HG21 ILE A 7 0.442 -12.077 -4.036 1.00 54.25 H new ATOM 0 HG22 ILE A 7 -0.885 -11.319 -4.949 1.00 54.25 H new ATOM 0 HG23 ILE A 7 0.502 -12.025 -5.814 1.00 54.25 H new ATOM 0 HD11 ILE A 7 4.107 -11.113 -5.835 1.00 52.51 H new ATOM 0 HD12 ILE A 7 2.580 -11.974 -6.142 1.00 52.51 H new ATOM 0 HD13 ILE A 7 2.850 -10.362 -6.847 1.00 52.51 H new ATOM 112 N GLU A 8 -1.490 -8.126 -5.592 1.00 35.43 N ATOM 113 CA GLU A 8 -2.929 -7.889 -5.628 1.00 71.25 C ATOM 114 C GLU A 8 -3.385 -7.523 -7.038 1.00 71.52 C ATOM 115 O GLU A 8 -4.461 -7.928 -7.477 1.00 32.54 O ATOM 116 CB GLU A 8 -3.308 -6.775 -4.651 1.00 71.25 C ATOM 117 CG GLU A 8 -3.725 -7.283 -3.281 1.00 15.12 C ATOM 118 CD GLU A 8 -5.080 -7.963 -3.297 1.00 1.01 C ATOM 119 OE1 GLU A 8 -5.315 -8.836 -2.436 1.00 75.25 O ATOM 120 OE2 GLU A 8 -5.904 -7.624 -4.173 1.00 14.41 O1- ATOM 0 H GLU A 8 -0.961 -7.432 -5.063 1.00 35.43 H new ATOM 0 HA GLU A 8 -3.432 -8.809 -5.331 1.00 71.25 H new ATOM 0 HB2 GLU A 8 -2.460 -6.100 -4.536 1.00 71.25 H new ATOM 0 HB3 GLU A 8 -4.124 -6.192 -5.077 1.00 71.25 H new ATOM 0 HG2 GLU A 8 -2.975 -7.984 -2.914 1.00 15.12 H new ATOM 0 HG3 GLU A 8 -3.750 -6.448 -2.581 1.00 15.12 H new ATOM 127 N ARG A 9 -2.558 -6.756 -7.740 1.00 14.15 N ATOM 128 CA ARG A 9 -2.877 -6.333 -9.098 1.00 33.34 C ATOM 129 C ARG A 9 -2.787 -7.508 -10.069 1.00 22.34 C ATOM 130 O ARG A 9 -3.527 -7.574 -11.050 1.00 52.23 O ATOM 131 CB ARG A 9 -1.931 -5.216 -9.544 1.00 41.22 C ATOM 132 CG ARG A 9 -2.647 -3.944 -9.967 1.00 63.41 C ATOM 133 CD ARG A 9 -2.320 -2.786 -9.037 1.00 44.44 C ATOM 134 NE ARG A 9 -3.480 -1.928 -8.804 1.00 1.20 N ATOM 135 CZ ARG A 9 -4.483 -2.252 -7.994 1.00 43.43 C ATOM 136 NH1 ARG A 9 -4.467 -3.408 -7.345 1.00 23.04 N1+ ATOM 137 NH2 ARG A 9 -5.502 -1.418 -7.833 1.00 51.24 N ATOM 0 H ARG A 9 -1.662 -6.415 -7.391 1.00 14.15 H new ATOM 0 HA ARG A 9 -3.900 -5.957 -9.103 1.00 33.34 H new ATOM 0 HB2 ARG A 9 -1.247 -4.983 -8.728 1.00 41.22 H new ATOM 0 HB3 ARG A 9 -1.325 -5.575 -10.376 1.00 41.22 H new ATOM 0 HG2 ARG A 9 -2.361 -3.686 -10.986 1.00 63.41 H new ATOM 0 HG3 ARG A 9 -3.723 -4.115 -9.972 1.00 63.41 H new ATOM 0 HD2 ARG A 9 -1.960 -3.176 -8.085 1.00 44.44 H new ATOM 0 HD3 ARG A 9 -1.511 -2.194 -9.465 1.00 44.44 H new ATOM 0 HE ARG A 9 -3.522 -1.032 -9.289 1.00 1.20 H new ATOM 0 HH11 ARG A 9 -3.684 -4.050 -7.467 1.00 23.04 H new ATOM 0 HH12 ARG A 9 -5.238 -3.655 -6.724 1.00 23.04 H new ATOM 0 HH21 ARG A 9 -5.516 -0.528 -8.331 1.00 51.24 H new ATOM 0 HH22 ARG A 9 -6.271 -1.667 -7.211 1.00 51.24 H new ATOM 151 N ILE A 10 -1.873 -8.431 -9.788 1.00 40.41 N ATOM 152 CA ILE A 10 -1.687 -9.602 -10.635 1.00 14.34 C ATOM 153 C ILE A 10 -2.857 -10.571 -10.499 1.00 62.03 C ATOM 154 O ILE A 10 -3.493 -10.936 -11.488 1.00 74.00 O ATOM 155 CB ILE A 10 -0.380 -10.343 -10.291 1.00 5.51 C ATOM 156 CG1 ILE A 10 0.816 -9.397 -10.419 1.00 24.51 C ATOM 157 CG2 ILE A 10 -0.204 -11.553 -11.197 1.00 55.12 C ATOM 158 CD1 ILE A 10 2.049 -9.879 -9.687 1.00 13.02 C ATOM 0 H ILE A 10 -1.250 -8.390 -8.981 1.00 40.41 H new ATOM 0 HA ILE A 10 -1.633 -9.243 -11.663 1.00 14.34 H new ATOM 0 HB ILE A 10 -0.436 -10.690 -9.259 1.00 5.51 H new ATOM 0 HG12 ILE A 10 1.057 -9.269 -11.474 1.00 24.51 H new ATOM 0 HG13 ILE A 10 0.536 -8.416 -10.035 1.00 24.51 H new ATOM 0 HG21 ILE A 10 0.723 -12.066 -10.942 1.00 55.12 H new ATOM 0 HG22 ILE A 10 -1.045 -12.234 -11.062 1.00 55.12 H new ATOM 0 HG23 ILE A 10 -0.164 -11.227 -12.236 1.00 55.12 H new ATOM 0 HD11 ILE A 10 2.857 -9.159 -9.821 1.00 13.02 H new ATOM 0 HD12 ILE A 10 1.826 -9.979 -8.625 1.00 13.02 H new ATOM 0 HD13 ILE A 10 2.355 -10.846 -10.087 1.00 13.02 H new ATOM 170 N LYS A 11 -3.137 -10.983 -9.267 1.00 61.13 N ATOM 171 CA LYS A 11 -4.233 -11.908 -9.000 1.00 50.23 C ATOM 172 C LYS A 11 -5.516 -11.441 -9.678 1.00 62.52 C ATOM 173 O LYS A 11 -6.306 -12.252 -10.159 1.00 43.22 O ATOM 174 CB LYS A 11 -4.459 -12.039 -7.492 1.00 4.34 C ATOM 175 CG LYS A 11 -4.730 -10.715 -6.799 1.00 75.22 C ATOM 176 CD LYS A 11 -4.993 -10.906 -5.315 1.00 21.30 C ATOM 177 CE LYS A 11 -3.726 -11.298 -4.571 1.00 45.52 C ATOM 178 NZ LYS A 11 -4.005 -12.256 -3.465 1.00 13.21 N1+ ATOM 0 H LYS A 11 -2.620 -10.691 -8.437 1.00 61.13 H new ATOM 0 HA LYS A 11 -3.962 -12.882 -9.407 1.00 50.23 H new ATOM 0 HB2 LYS A 11 -5.300 -12.710 -7.316 1.00 4.34 H new ATOM 0 HB3 LYS A 11 -3.582 -12.503 -7.041 1.00 4.34 H new ATOM 0 HG2 LYS A 11 -3.877 -10.050 -6.936 1.00 75.22 H new ATOM 0 HG3 LYS A 11 -5.589 -10.230 -7.262 1.00 75.22 H new ATOM 0 HD2 LYS A 11 -5.393 -9.984 -4.894 1.00 21.30 H new ATOM 0 HD3 LYS A 11 -5.752 -11.676 -5.175 1.00 21.30 H new ATOM 0 HE2 LYS A 11 -3.019 -11.746 -5.269 1.00 45.52 H new ATOM 0 HE3 LYS A 11 -3.252 -10.404 -4.166 1.00 45.52 H new ATOM 0 HZ1 LYS A 11 -3.116 -12.498 -2.983 1.00 13.21 H new ATOM 0 HZ2 LYS A 11 -4.660 -11.820 -2.785 1.00 13.21 H new ATOM 0 HZ3 LYS A 11 -4.434 -13.120 -3.854 1.00 13.21 H new ATOM 192 N ALA A 12 -5.717 -10.127 -9.715 1.00 55.14 N ATOM 193 CA ALA A 12 -6.902 -9.553 -10.337 1.00 34.34 C ATOM 194 C ALA A 12 -6.824 -9.645 -11.857 1.00 55.24 C ATOM 195 O ALA A 12 -7.823 -9.916 -12.524 1.00 10.40 O ATOM 196 CB ALA A 12 -7.077 -8.105 -9.904 1.00 45.33 C ATOM 0 H ALA A 12 -5.073 -9.441 -9.321 1.00 55.14 H new ATOM 0 HA ALA A 12 -7.768 -10.127 -10.008 1.00 34.34 H new ATOM 0 HB1 ALA A 12 -7.967 -7.689 -10.377 1.00 45.33 H new ATOM 0 HB2 ALA A 12 -7.187 -8.060 -8.821 1.00 45.33 H new ATOM 0 HB3 ALA A 12 -6.203 -7.527 -10.204 1.00 45.33 H new ATOM 202 N ARG A 13 -5.632 -9.419 -12.398 1.00 1.42 N ATOM 203 CA ARG A 13 -5.424 -9.476 -13.841 1.00 42.34 C ATOM 204 C ARG A 13 -5.521 -10.912 -14.348 1.00 75.41 C ATOM 205 O ARG A 13 -6.274 -11.203 -15.277 1.00 71.34 O ATOM 206 CB ARG A 13 -4.060 -8.886 -14.205 1.00 55.21 C ATOM 207 CG ARG A 13 -3.714 -9.016 -15.679 1.00 12.20 C ATOM 208 CD ARG A 13 -4.754 -8.335 -16.556 1.00 25.52 C ATOM 209 NE ARG A 13 -4.503 -8.561 -17.978 1.00 14.11 N ATOM 210 CZ ARG A 13 -5.391 -8.305 -18.930 1.00 35.11 C ATOM 211 NH1 ARG A 13 -6.584 -7.816 -18.615 1.00 42.00 N1+ ATOM 212 NH2 ARG A 13 -5.089 -8.537 -20.201 1.00 54.31 N ATOM 0 H ARG A 13 -4.795 -9.195 -11.860 1.00 1.42 H new ATOM 0 HA ARG A 13 -6.206 -8.887 -14.319 1.00 42.34 H new ATOM 0 HB2 ARG A 13 -4.044 -7.832 -13.928 1.00 55.21 H new ATOM 0 HB3 ARG A 13 -3.290 -9.382 -13.615 1.00 55.21 H new ATOM 0 HG2 ARG A 13 -2.735 -8.575 -15.865 1.00 12.20 H new ATOM 0 HG3 ARG A 13 -3.645 -10.070 -15.946 1.00 12.20 H new ATOM 0 HD2 ARG A 13 -5.745 -8.708 -16.299 1.00 25.52 H new ATOM 0 HD3 ARG A 13 -4.754 -7.264 -16.353 1.00 25.52 H new ATOM 0 HE ARG A 13 -3.595 -8.936 -18.254 1.00 14.11 H new ATOM 0 HH11 ARG A 13 -6.820 -7.636 -17.639 1.00 42.00 H new ATOM 0 HH12 ARG A 13 -7.265 -7.620 -19.349 1.00 42.00 H new ATOM 0 HH21 ARG A 13 -4.173 -8.913 -20.447 1.00 54.31 H new ATOM 0 HH22 ARG A 13 -5.773 -8.340 -20.932 1.00 54.31 H new ATOM 226 N VAL A 14 -4.753 -11.805 -13.731 1.00 22.42 N ATOM 227 CA VAL A 14 -4.753 -13.210 -14.120 1.00 65.13 C ATOM 228 C VAL A 14 -6.172 -13.766 -14.175 1.00 11.41 C ATOM 229 O VAL A 14 -6.552 -14.429 -15.139 1.00 11.41 O ATOM 230 CB VAL A 14 -3.918 -14.062 -13.145 1.00 21.10 C ATOM 231 CG1 VAL A 14 -2.432 -13.878 -13.413 1.00 11.02 C ATOM 232 CG2 VAL A 14 -4.256 -13.707 -11.704 1.00 61.14 C ATOM 0 H VAL A 14 -4.124 -11.580 -12.960 1.00 22.42 H new ATOM 0 HA VAL A 14 -4.306 -13.263 -15.113 1.00 65.13 H new ATOM 0 HB VAL A 14 -4.164 -15.112 -13.304 1.00 21.10 H new ATOM 0 HG11 VAL A 14 -1.858 -14.487 -12.715 1.00 11.02 H new ATOM 0 HG12 VAL A 14 -2.206 -14.185 -14.434 1.00 11.02 H new ATOM 0 HG13 VAL A 14 -2.166 -12.829 -13.283 1.00 11.02 H new ATOM 0 HG21 VAL A 14 -3.657 -14.318 -11.029 1.00 61.14 H new ATOM 0 HG22 VAL A 14 -4.039 -12.653 -11.528 1.00 61.14 H new ATOM 0 HG23 VAL A 14 -5.314 -13.895 -11.522 1.00 61.14 H new ATOM 242 N GLY A 15 -6.951 -13.488 -13.134 1.00 21.44 N ATOM 243 CA GLY A 15 -8.320 -13.968 -13.084 1.00 52.30 C ATOM 244 C GLY A 15 -9.253 -13.147 -13.952 1.00 73.25 C ATOM 245 O GLY A 15 -10.451 -13.422 -14.020 1.00 42.21 O ATOM 0 H GLY A 15 -6.659 -12.940 -12.325 1.00 21.44 H new ATOM 0 HA2 GLY A 15 -8.349 -15.009 -13.407 1.00 52.30 H new ATOM 0 HA3 GLY A 15 -8.673 -13.945 -12.053 1.00 52.30 H new ATOM 249 N ALA A 16 -8.705 -12.136 -14.617 1.00 11.20 N ATOM 250 CA ALA A 16 -9.497 -11.272 -15.484 1.00 51.25 C ATOM 251 C ALA A 16 -9.078 -11.427 -16.942 1.00 3.23 C ATOM 252 O ALA A 16 -9.649 -10.798 -17.833 1.00 4.14 O ATOM 253 CB ALA A 16 -9.365 -9.821 -15.048 1.00 14.21 C ATOM 0 H ALA A 16 -7.715 -11.895 -14.572 1.00 11.20 H new ATOM 0 HA ALA A 16 -10.541 -11.572 -15.398 1.00 51.25 H new ATOM 0 HB1 ALA A 16 -9.962 -9.188 -15.705 1.00 14.21 H new ATOM 0 HB2 ALA A 16 -9.719 -9.716 -14.022 1.00 14.21 H new ATOM 0 HB3 ALA A 16 -8.319 -9.518 -15.104 1.00 14.21 H new ATOM 259 N VAL A 17 -8.077 -12.270 -17.180 1.00 61.40 N ATOM 260 CA VAL A 17 -7.583 -12.509 -18.530 1.00 25.41 C ATOM 261 C VAL A 17 -8.724 -12.857 -19.480 1.00 62.03 C ATOM 262 O VAL A 17 -9.624 -13.621 -19.131 1.00 65.32 O ATOM 263 CB VAL A 17 -6.544 -13.645 -18.555 1.00 5.11 C ATOM 264 CG1 VAL A 17 -6.321 -14.134 -19.978 1.00 42.13 C ATOM 265 CG2 VAL A 17 -5.236 -13.185 -17.930 1.00 53.34 C ATOM 0 H VAL A 17 -7.593 -12.799 -16.454 1.00 61.40 H new ATOM 0 HA VAL A 17 -7.108 -11.585 -18.861 1.00 25.41 H new ATOM 0 HB VAL A 17 -6.928 -14.478 -17.966 1.00 5.11 H new ATOM 0 HG11 VAL A 17 -5.584 -14.937 -19.976 1.00 42.13 H new ATOM 0 HG12 VAL A 17 -7.261 -14.506 -20.386 1.00 42.13 H new ATOM 0 HG13 VAL A 17 -5.959 -13.310 -20.593 1.00 42.13 H new ATOM 0 HG21 VAL A 17 -4.513 -14.001 -17.956 1.00 53.34 H new ATOM 0 HG22 VAL A 17 -4.844 -12.335 -18.489 1.00 53.34 H new ATOM 0 HG23 VAL A 17 -5.411 -12.889 -16.896 1.00 53.34 H new ATOM 275 N ASP A 18 -8.679 -12.292 -20.681 1.00 53.03 N ATOM 276 CA ASP A 18 -9.709 -12.544 -21.683 1.00 53.12 C ATOM 277 C ASP A 18 -9.204 -13.510 -22.750 1.00 33.02 C ATOM 278 O ASP A 18 -8.029 -13.508 -23.119 1.00 11.13 O ATOM 279 CB ASP A 18 -10.149 -11.231 -22.333 1.00 41.05 C ATOM 280 CG ASP A 18 -11.163 -10.480 -21.493 1.00 3.44 C ATOM 281 OD1 ASP A 18 -11.820 -9.565 -22.032 1.00 41.35 O ATOM 282 OD2 ASP A 18 -11.300 -10.809 -20.296 1.00 43.50 O1- ATOM 0 H ASP A 18 -7.941 -11.657 -20.985 1.00 53.03 H new ATOM 0 HA ASP A 18 -10.565 -12.998 -21.183 1.00 53.12 H new ATOM 0 HB2 ASP A 18 -9.276 -10.599 -22.495 1.00 41.05 H new ATOM 0 HB3 ASP A 18 -10.577 -11.440 -23.313 1.00 41.05 H new ATOM 287 N PRO A 19 -10.111 -14.357 -23.258 1.00 61.33 N ATOM 288 CA PRO A 19 -9.781 -15.345 -24.290 1.00 24.45 C ATOM 289 C PRO A 19 -9.484 -14.698 -25.639 1.00 52.45 C ATOM 290 O PRO A 19 -9.016 -15.359 -26.565 1.00 60.01 O ATOM 291 CB PRO A 19 -11.044 -16.204 -24.375 1.00 44.51 C ATOM 292 CG PRO A 19 -12.141 -15.313 -23.906 1.00 61.04 C ATOM 293 CD PRO A 19 -11.529 -14.414 -22.866 1.00 65.12 C ATOM 0 HA PRO A 19 -8.882 -15.909 -24.042 1.00 24.45 H new ATOM 0 HB2 PRO A 19 -11.221 -16.547 -25.394 1.00 44.51 H new ATOM 0 HB3 PRO A 19 -10.961 -17.093 -23.749 1.00 44.51 H new ATOM 0 HG2 PRO A 19 -12.551 -14.732 -24.732 1.00 61.04 H new ATOM 0 HG3 PRO A 19 -12.962 -15.893 -23.486 1.00 61.04 H new ATOM 0 HD2 PRO A 19 -11.987 -13.425 -22.870 1.00 65.12 H new ATOM 0 HD3 PRO A 19 -11.653 -14.819 -21.862 1.00 65.12 H new ATOM 301 N ASN A 20 -9.759 -13.402 -25.741 1.00 14.21 N ATOM 302 CA ASN A 20 -9.522 -12.665 -26.978 1.00 51.20 C ATOM 303 C ASN A 20 -8.040 -12.346 -27.144 1.00 32.21 C ATOM 304 O ASN A 20 -7.519 -12.330 -28.259 1.00 25.02 O ATOM 305 CB ASN A 20 -10.339 -11.372 -26.991 1.00 64.43 C ATOM 306 CG ASN A 20 -11.526 -11.447 -27.932 1.00 2.35 C ATOM 307 OD1 ASN A 20 -11.599 -10.710 -28.917 1.00 4.13 O ATOM 308 ND2 ASN A 20 -12.463 -12.340 -27.634 1.00 52.44 N ATOM 0 H ASN A 20 -10.146 -12.840 -24.983 1.00 14.21 H new ATOM 0 HA ASN A 20 -9.836 -13.292 -27.812 1.00 51.20 H new ATOM 0 HB2 ASN A 20 -10.692 -11.158 -25.982 1.00 64.43 H new ATOM 0 HB3 ASN A 20 -9.697 -10.543 -27.286 1.00 64.43 H new ATOM 0 HD21 ASN A 20 -13.284 -12.436 -28.231 1.00 52.44 H new ATOM 0 HD22 ASN A 20 -12.361 -12.930 -26.808 1.00 52.44 H new ATOM 315 N GLY A 21 -7.366 -12.091 -26.027 1.00 50.52 N ATOM 316 CA GLY A 21 -5.950 -11.775 -26.071 1.00 62.51 C ATOM 317 C GLY A 21 -5.081 -13.015 -26.137 1.00 11.23 C ATOM 318 O GLY A 21 -4.772 -13.525 -27.214 1.00 25.24 O ATOM 0 H GLY A 21 -7.775 -12.098 -25.093 1.00 50.52 H new ATOM 0 HA2 GLY A 21 -5.748 -11.147 -26.939 1.00 62.51 H new ATOM 0 HA3 GLY A 21 -5.683 -11.194 -25.188 1.00 62.51 H new ATOM 322 N PRO A 22 -4.671 -13.519 -24.964 1.00 62.45 N ATOM 323 CA PRO A 22 -3.826 -14.713 -24.867 1.00 23.24 C ATOM 324 C PRO A 22 -4.569 -15.983 -25.264 1.00 51.52 C ATOM 325 O PRO A 22 -5.665 -15.924 -25.822 1.00 44.23 O ATOM 326 CB PRO A 22 -3.444 -14.758 -23.386 1.00 44.15 C ATOM 327 CG PRO A 22 -4.543 -14.033 -22.689 1.00 54.42 C ATOM 328 CD PRO A 22 -5.001 -12.963 -23.641 1.00 52.42 C ATOM 0 HA PRO A 22 -2.971 -14.662 -25.541 1.00 23.24 H new ATOM 0 HB2 PRO A 22 -3.359 -15.785 -23.030 1.00 44.15 H new ATOM 0 HB3 PRO A 22 -2.481 -14.279 -23.211 1.00 44.15 H new ATOM 0 HG2 PRO A 22 -5.360 -14.710 -22.440 1.00 54.42 H new ATOM 0 HG3 PRO A 22 -4.192 -13.599 -21.753 1.00 54.42 H new ATOM 0 HD2 PRO A 22 -6.069 -12.768 -23.542 1.00 52.42 H new ATOM 0 HD3 PRO A 22 -4.486 -12.019 -23.462 1.00 52.42 H new ATOM 336 N ARG A 23 -3.967 -17.133 -24.972 1.00 3.14 N ATOM 337 CA ARG A 23 -4.572 -18.417 -25.300 1.00 53.14 C ATOM 338 C ARG A 23 -4.195 -19.476 -24.268 1.00 53.31 C ATOM 339 O ARG A 23 -3.292 -19.271 -23.455 1.00 11.32 O ATOM 340 CB ARG A 23 -4.136 -18.870 -26.694 1.00 65.52 C ATOM 341 CG ARG A 23 -4.727 -18.036 -27.819 1.00 43.32 C ATOM 342 CD ARG A 23 -6.248 -18.057 -27.786 1.00 4.23 C ATOM 343 NE ARG A 23 -6.816 -18.512 -29.053 1.00 13.13 N ATOM 344 CZ ARG A 23 -6.908 -17.746 -30.134 1.00 63.53 C ATOM 345 NH1 ARG A 23 -6.473 -16.494 -30.104 1.00 60.23 N1+ ATOM 346 NH2 ARG A 23 -7.438 -18.232 -31.249 1.00 32.33 N ATOM 0 H ARG A 23 -3.061 -17.200 -24.509 1.00 3.14 H new ATOM 0 HA ARG A 23 -5.655 -18.293 -25.288 1.00 53.14 H new ATOM 0 HB2 ARG A 23 -3.049 -18.830 -26.756 1.00 65.52 H new ATOM 0 HB3 ARG A 23 -4.425 -19.912 -26.835 1.00 65.52 H new ATOM 0 HG2 ARG A 23 -4.374 -17.008 -27.736 1.00 43.32 H new ATOM 0 HG3 ARG A 23 -4.377 -18.417 -28.779 1.00 43.32 H new ATOM 0 HD2 ARG A 23 -6.584 -18.712 -26.982 1.00 4.23 H new ATOM 0 HD3 ARG A 23 -6.620 -17.058 -27.560 1.00 4.23 H new ATOM 0 HE ARG A 23 -7.161 -19.470 -29.110 1.00 13.13 H new ATOM 0 HH11 ARG A 23 -6.066 -16.116 -29.249 1.00 60.23 H new ATOM 0 HH12 ARG A 23 -6.545 -15.909 -30.936 1.00 60.23 H new ATOM 0 HH21 ARG A 23 -7.775 -19.194 -31.276 1.00 32.33 H new ATOM 0 HH22 ARG A 23 -7.508 -17.643 -32.079 1.00 32.33 H new ATOM 360 N LYS A 24 -4.891 -20.606 -24.306 1.00 71.13 N ATOM 361 CA LYS A 24 -4.628 -21.698 -23.375 1.00 41.04 C ATOM 362 C LYS A 24 -3.133 -21.981 -23.276 1.00 22.22 C ATOM 363 O LYS A 24 -2.542 -22.577 -24.176 1.00 21.24 O ATOM 364 CB LYS A 24 -5.369 -22.963 -23.818 1.00 44.53 C ATOM 365 CG LYS A 24 -6.782 -23.062 -23.270 1.00 62.53 C ATOM 366 CD LYS A 24 -7.696 -23.819 -24.220 1.00 63.55 C ATOM 367 CE LYS A 24 -9.080 -24.017 -23.622 1.00 34.31 C ATOM 368 NZ LYS A 24 -10.144 -23.987 -24.665 1.00 63.14 N1+ ATOM 0 H LYS A 24 -5.642 -20.791 -24.971 1.00 71.13 H new ATOM 0 HA LYS A 24 -4.989 -21.398 -22.391 1.00 41.04 H new ATOM 0 HB2 LYS A 24 -5.408 -22.989 -24.907 1.00 44.53 H new ATOM 0 HB3 LYS A 24 -4.802 -23.837 -23.498 1.00 44.53 H new ATOM 0 HG2 LYS A 24 -6.764 -23.565 -22.303 1.00 62.53 H new ATOM 0 HG3 LYS A 24 -7.179 -22.061 -23.102 1.00 62.53 H new ATOM 0 HD2 LYS A 24 -7.779 -23.272 -25.159 1.00 63.55 H new ATOM 0 HD3 LYS A 24 -7.257 -24.789 -24.453 1.00 63.55 H new ATOM 0 HE2 LYS A 24 -9.115 -24.970 -23.095 1.00 34.31 H new ATOM 0 HE3 LYS A 24 -9.272 -23.238 -22.885 1.00 34.31 H new ATOM 0 HZ1 LYS A 24 -11.073 -24.125 -24.218 1.00 63.14 H new ATOM 0 HZ2 LYS A 24 -10.128 -23.068 -25.151 1.00 63.14 H new ATOM 0 HZ3 LYS A 24 -9.975 -24.747 -25.355 1.00 63.14 H new ATOM 382 N VAL A 25 -2.525 -21.551 -22.174 1.00 32.25 N ATOM 383 CA VAL A 25 -1.099 -21.761 -21.956 1.00 72.11 C ATOM 384 C VAL A 25 -0.856 -22.712 -20.789 1.00 51.12 C ATOM 385 O VAL A 25 -1.790 -23.105 -20.089 1.00 43.45 O ATOM 386 CB VAL A 25 -0.372 -20.431 -21.680 1.00 34.14 C ATOM 387 CG1 VAL A 25 -0.312 -19.584 -22.942 1.00 11.11 C ATOM 388 CG2 VAL A 25 -1.057 -19.674 -20.552 1.00 3.14 C ATOM 0 H VAL A 25 -2.998 -21.055 -21.419 1.00 32.25 H new ATOM 0 HA VAL A 25 -0.700 -22.202 -22.870 1.00 72.11 H new ATOM 0 HB VAL A 25 0.649 -20.652 -21.371 1.00 34.14 H new ATOM 0 HG11 VAL A 25 0.205 -18.648 -22.728 1.00 11.11 H new ATOM 0 HG12 VAL A 25 0.226 -20.127 -23.719 1.00 11.11 H new ATOM 0 HG13 VAL A 25 -1.324 -19.369 -23.284 1.00 11.11 H new ATOM 0 HG21 VAL A 25 -0.530 -18.737 -20.370 1.00 3.14 H new ATOM 0 HG22 VAL A 25 -2.089 -19.462 -20.830 1.00 3.14 H new ATOM 0 HG23 VAL A 25 -1.043 -20.280 -19.646 1.00 3.14 H new ATOM 398 N LEU A 26 0.405 -23.079 -20.586 1.00 52.13 N ATOM 399 CA LEU A 26 0.772 -23.985 -19.503 1.00 53.31 C ATOM 400 C LEU A 26 2.141 -23.624 -18.933 1.00 41.52 C ATOM 401 O LEU A 26 3.049 -23.239 -19.669 1.00 23.31 O ATOM 402 CB LEU A 26 0.779 -25.430 -20.001 1.00 34.22 C ATOM 403 CG LEU A 26 1.918 -25.809 -20.949 1.00 5.53 C ATOM 404 CD1 LEU A 26 2.864 -26.793 -20.281 1.00 50.53 C ATOM 405 CD2 LEU A 26 1.365 -26.392 -22.241 1.00 1.25 C ATOM 0 H LEU A 26 1.189 -22.763 -21.156 1.00 52.13 H new ATOM 0 HA LEU A 26 0.030 -23.885 -18.710 1.00 53.31 H new ATOM 0 HB2 LEU A 26 0.819 -26.091 -19.135 1.00 34.22 H new ATOM 0 HB3 LEU A 26 -0.167 -25.623 -20.507 1.00 34.22 H new ATOM 0 HG LEU A 26 2.478 -24.906 -21.191 1.00 5.53 H new ATOM 0 HD11 LEU A 26 3.668 -27.051 -20.971 1.00 50.53 H new ATOM 0 HD12 LEU A 26 3.287 -26.340 -19.384 1.00 50.53 H new ATOM 0 HD13 LEU A 26 2.317 -27.695 -20.008 1.00 50.53 H new ATOM 0 HD21 LEU A 26 2.190 -26.656 -22.903 1.00 1.25 H new ATOM 0 HD22 LEU A 26 0.780 -27.284 -22.017 1.00 1.25 H new ATOM 0 HD23 LEU A 26 0.729 -25.654 -22.730 1.00 1.25 H new ATOM 417 N GLY A 27 2.282 -23.756 -17.618 1.00 11.13 N ATOM 418 CA GLY A 27 3.543 -23.442 -16.972 1.00 74.50 C ATOM 419 C GLY A 27 3.355 -22.743 -15.641 1.00 72.22 C ATOM 420 O GLY A 27 2.227 -22.559 -15.181 1.00 33.15 O ATOM 0 H GLY A 27 1.546 -24.075 -16.988 1.00 11.13 H new ATOM 0 HA2 GLY A 27 4.108 -24.361 -16.819 1.00 74.50 H new ATOM 0 HA3 GLY A 27 4.137 -22.809 -17.631 1.00 74.50 H new ATOM 424 N VAL A 28 4.461 -22.354 -15.017 1.00 0.31 N ATOM 425 CA VAL A 28 4.414 -21.672 -13.728 1.00 11.43 C ATOM 426 C VAL A 28 5.579 -20.699 -13.579 1.00 12.21 C ATOM 427 O VAL A 28 6.656 -20.914 -14.134 1.00 72.43 O ATOM 428 CB VAL A 28 4.444 -22.675 -12.560 1.00 51.42 C ATOM 429 CG1 VAL A 28 3.995 -22.006 -11.270 1.00 54.12 C ATOM 430 CG2 VAL A 28 3.574 -23.884 -12.874 1.00 65.50 C ATOM 0 H VAL A 28 5.402 -22.499 -15.383 1.00 0.31 H new ATOM 0 HA VAL A 28 3.475 -21.119 -13.697 1.00 11.43 H new ATOM 0 HB VAL A 28 5.470 -23.019 -12.425 1.00 51.42 H new ATOM 0 HG11 VAL A 28 4.023 -22.730 -10.456 1.00 54.12 H new ATOM 0 HG12 VAL A 28 4.662 -21.175 -11.040 1.00 54.12 H new ATOM 0 HG13 VAL A 28 2.978 -21.632 -11.389 1.00 54.12 H new ATOM 0 HG21 VAL A 28 3.607 -24.583 -12.038 1.00 65.50 H new ATOM 0 HG22 VAL A 28 2.546 -23.560 -13.036 1.00 65.50 H new ATOM 0 HG23 VAL A 28 3.946 -24.376 -13.773 1.00 65.50 H new ATOM 440 N PHE A 29 5.354 -19.629 -12.823 1.00 21.24 N ATOM 441 CA PHE A 29 6.385 -18.622 -12.599 1.00 24.31 C ATOM 442 C PHE A 29 6.713 -18.500 -11.115 1.00 74.32 C ATOM 443 O PHE A 29 5.823 -18.553 -10.266 1.00 14.41 O ATOM 444 CB PHE A 29 5.931 -17.267 -13.146 1.00 62.43 C ATOM 445 CG PHE A 29 5.586 -17.295 -14.608 1.00 74.23 C ATOM 446 CD1 PHE A 29 6.484 -17.800 -15.535 1.00 73.12 C ATOM 447 CD2 PHE A 29 4.366 -16.815 -15.055 1.00 0.33 C ATOM 448 CE1 PHE A 29 6.170 -17.827 -16.881 1.00 43.11 C ATOM 449 CE2 PHE A 29 4.046 -16.841 -16.400 1.00 64.12 C ATOM 450 CZ PHE A 29 4.950 -17.346 -17.313 1.00 52.54 C ATOM 0 H PHE A 29 4.468 -19.437 -12.356 1.00 21.24 H new ATOM 0 HA PHE A 29 7.285 -18.936 -13.127 1.00 24.31 H new ATOM 0 HB2 PHE A 29 5.061 -16.930 -12.582 1.00 62.43 H new ATOM 0 HB3 PHE A 29 6.721 -16.535 -12.981 1.00 62.43 H new ATOM 0 HD1 PHE A 29 7.440 -18.177 -15.202 1.00 73.12 H new ATOM 0 HD2 PHE A 29 3.657 -16.416 -14.345 1.00 0.33 H new ATOM 0 HE1 PHE A 29 6.878 -18.224 -17.594 1.00 43.11 H new ATOM 0 HE2 PHE A 29 3.090 -16.467 -16.736 1.00 64.12 H new ATOM 0 HZ PHE A 29 4.703 -17.365 -18.364 1.00 52.54 H new ATOM 460 N GLN A 30 7.997 -18.336 -10.809 1.00 73.10 N ATOM 461 CA GLN A 30 8.442 -18.208 -9.427 1.00 2.03 C ATOM 462 C GLN A 30 8.977 -16.806 -9.156 1.00 32.14 C ATOM 463 O GLN A 30 10.147 -16.516 -9.414 1.00 10.04 O ATOM 464 CB GLN A 30 9.521 -19.248 -9.118 1.00 11.10 C ATOM 465 CG GLN A 30 9.842 -19.371 -7.638 1.00 21.52 C ATOM 466 CD GLN A 30 8.599 -19.526 -6.783 1.00 3.11 C ATOM 467 OE1 GLN A 30 7.786 -20.424 -7.007 1.00 64.02 O ATOM 468 NE2 GLN A 30 8.446 -18.651 -5.796 1.00 1.20 N ATOM 0 H GLN A 30 8.746 -18.289 -11.500 1.00 73.10 H new ATOM 0 HA GLN A 30 7.584 -18.382 -8.777 1.00 2.03 H new ATOM 0 HB2 GLN A 30 9.196 -20.219 -9.492 1.00 11.10 H new ATOM 0 HB3 GLN A 30 10.431 -18.986 -9.658 1.00 11.10 H new ATOM 0 HG2 GLN A 30 10.495 -20.229 -7.482 1.00 21.52 H new ATOM 0 HG3 GLN A 30 10.393 -18.488 -7.315 1.00 21.52 H new ATOM 0 HE21 GLN A 30 9.145 -17.923 -5.647 1.00 1.20 H new ATOM 0 HE22 GLN A 30 7.630 -18.707 -5.187 1.00 1.20 H new ATOM 477 N LEU A 31 8.116 -15.940 -8.634 1.00 65.02 N ATOM 478 CA LEU A 31 8.503 -14.567 -8.327 1.00 54.50 C ATOM 479 C LEU A 31 9.236 -14.493 -6.991 1.00 53.24 C ATOM 480 O LEU A 31 8.737 -14.967 -5.972 1.00 13.04 O ATOM 481 CB LEU A 31 7.268 -13.664 -8.295 1.00 52.25 C ATOM 482 CG LEU A 31 7.483 -12.217 -8.737 1.00 62.25 C ATOM 483 CD1 LEU A 31 6.269 -11.368 -8.396 1.00 62.41 C ATOM 484 CD2 LEU A 31 8.736 -11.642 -8.089 1.00 64.43 C ATOM 0 H LEU A 31 7.145 -16.164 -8.414 1.00 65.02 H new ATOM 0 HA LEU A 31 9.178 -14.222 -9.110 1.00 54.50 H new ATOM 0 HB2 LEU A 31 6.502 -14.107 -8.931 1.00 52.25 H new ATOM 0 HB3 LEU A 31 6.874 -13.658 -7.279 1.00 52.25 H new ATOM 0 HG LEU A 31 7.617 -12.204 -9.819 1.00 62.25 H new ATOM 0 HD11 LEU A 31 6.441 -10.341 -8.718 1.00 62.41 H new ATOM 0 HD12 LEU A 31 5.392 -11.766 -8.906 1.00 62.41 H new ATOM 0 HD13 LEU A 31 6.103 -11.387 -7.319 1.00 62.41 H new ATOM 0 HD21 LEU A 31 8.874 -10.611 -8.415 1.00 64.43 H new ATOM 0 HD22 LEU A 31 8.630 -11.669 -7.005 1.00 64.43 H new ATOM 0 HD23 LEU A 31 9.602 -12.234 -8.383 1.00 64.43 H new ATOM 496 N ASN A 32 10.422 -13.894 -7.006 1.00 55.44 N ATOM 497 CA ASN A 32 11.224 -13.757 -5.796 1.00 63.23 C ATOM 498 C ASN A 32 11.595 -12.297 -5.552 1.00 53.21 C ATOM 499 O ASN A 32 12.424 -11.729 -6.263 1.00 30.12 O ATOM 500 CB ASN A 32 12.492 -14.606 -5.899 1.00 15.22 C ATOM 501 CG ASN A 32 12.217 -15.992 -6.450 1.00 74.20 C ATOM 502 OD1 ASN A 32 11.966 -16.932 -5.697 1.00 54.54 O ATOM 503 ND2 ASN A 32 12.262 -16.123 -7.770 1.00 41.33 N ATOM 0 H ASN A 32 10.849 -13.496 -7.842 1.00 55.44 H new ATOM 0 HA ASN A 32 10.628 -14.108 -4.954 1.00 63.23 H new ATOM 0 HB2 ASN A 32 13.214 -14.100 -6.540 1.00 15.22 H new ATOM 0 HB3 ASN A 32 12.948 -14.694 -4.913 1.00 15.22 H new ATOM 0 HD21 ASN A 32 12.084 -17.031 -8.199 1.00 41.33 H new ATOM 0 HD22 ASN A 32 12.474 -15.315 -8.356 1.00 41.33 H new ATOM 510 N ILE A 33 10.974 -11.695 -4.543 1.00 31.21 N ATOM 511 CA ILE A 33 11.240 -10.302 -4.204 1.00 31.14 C ATOM 512 C ILE A 33 12.093 -10.196 -2.944 1.00 52.44 C ATOM 513 O ILE A 33 11.846 -10.884 -1.954 1.00 11.10 O ATOM 514 CB ILE A 33 9.933 -9.515 -3.993 1.00 13.11 C ATOM 515 CG1 ILE A 33 9.017 -9.670 -5.209 1.00 12.13 C ATOM 516 CG2 ILE A 33 10.236 -8.047 -3.735 1.00 60.34 C ATOM 517 CD1 ILE A 33 7.953 -10.729 -5.033 1.00 72.22 C ATOM 0 H ILE A 33 10.283 -12.150 -3.946 1.00 31.21 H new ATOM 0 HA ILE A 33 11.783 -9.871 -5.045 1.00 31.14 H new ATOM 0 HB ILE A 33 9.419 -9.919 -3.121 1.00 13.11 H new ATOM 0 HG12 ILE A 33 8.536 -8.714 -5.415 1.00 12.13 H new ATOM 0 HG13 ILE A 33 9.623 -9.917 -6.081 1.00 12.13 H new ATOM 0 HG21 ILE A 33 9.303 -7.503 -3.588 1.00 60.34 H new ATOM 0 HG22 ILE A 33 10.855 -7.955 -2.842 1.00 60.34 H new ATOM 0 HG23 ILE A 33 10.768 -7.630 -4.590 1.00 60.34 H new ATOM 0 HD11 ILE A 33 7.341 -10.783 -5.934 1.00 72.22 H new ATOM 0 HD12 ILE A 33 8.427 -11.695 -4.857 1.00 72.22 H new ATOM 0 HD13 ILE A 33 7.323 -10.473 -4.181 1.00 72.22 H new ATOM 529 N LYS A 34 13.097 -9.328 -2.989 1.00 22.24 N ATOM 530 CA LYS A 34 13.987 -9.127 -1.851 1.00 23.21 C ATOM 531 C LYS A 34 13.345 -8.211 -0.814 1.00 44.34 C ATOM 532 O LYS A 34 12.597 -7.295 -1.156 1.00 15.11 O ATOM 533 CB LYS A 34 15.319 -8.534 -2.317 1.00 53.34 C ATOM 534 CG LYS A 34 15.296 -7.021 -2.453 1.00 41.43 C ATOM 535 CD LYS A 34 16.061 -6.561 -3.683 1.00 33.21 C ATOM 536 CE LYS A 34 17.443 -6.042 -3.320 1.00 40.23 C ATOM 537 NZ LYS A 34 17.945 -5.056 -4.316 1.00 30.42 N1+ ATOM 0 H LYS A 34 13.315 -8.752 -3.802 1.00 22.24 H new ATOM 0 HA LYS A 34 14.171 -10.097 -1.389 1.00 23.21 H new ATOM 0 HB2 LYS A 34 16.100 -8.815 -1.610 1.00 53.34 H new ATOM 0 HB3 LYS A 34 15.586 -8.973 -3.278 1.00 53.34 H new ATOM 0 HG2 LYS A 34 14.264 -6.676 -2.515 1.00 41.43 H new ATOM 0 HG3 LYS A 34 15.731 -6.568 -1.562 1.00 41.43 H new ATOM 0 HD2 LYS A 34 16.156 -7.390 -4.385 1.00 33.21 H new ATOM 0 HD3 LYS A 34 15.499 -5.777 -4.190 1.00 33.21 H new ATOM 0 HE2 LYS A 34 17.409 -5.577 -2.335 1.00 40.23 H new ATOM 0 HE3 LYS A 34 18.139 -6.878 -3.254 1.00 40.23 H new ATOM 0 HZ1 LYS A 34 18.890 -4.726 -4.032 1.00 30.42 H new ATOM 0 HZ2 LYS A 34 18.002 -5.506 -5.252 1.00 30.42 H new ATOM 0 HZ3 LYS A 34 17.295 -4.246 -4.361 1.00 30.42 H new ATOM 551 N THR A 35 13.644 -8.462 0.457 1.00 41.14 N ATOM 552 CA THR A 35 13.098 -7.661 1.544 1.00 62.04 C ATOM 553 C THR A 35 14.083 -7.560 2.703 1.00 21.21 C ATOM 554 O THR A 35 15.057 -8.309 2.768 1.00 42.41 O ATOM 555 CB THR A 35 11.770 -8.246 2.063 1.00 73.14 C ATOM 556 OG1 THR A 35 11.685 -8.085 3.482 1.00 74.33 O ATOM 557 CG2 THR A 35 11.655 -9.721 1.706 1.00 21.11 C ATOM 0 H THR A 35 14.262 -9.215 0.758 1.00 41.14 H new ATOM 0 HA THR A 35 12.914 -6.666 1.140 1.00 62.04 H new ATOM 0 HB THR A 35 10.950 -7.708 1.588 1.00 73.14 H new ATOM 0 HG1 THR A 35 11.394 -7.173 3.691 1.00 74.33 H new ATOM 0 HG21 THR A 35 10.710 -10.114 2.082 1.00 21.11 H new ATOM 0 HG22 THR A 35 11.691 -9.837 0.623 1.00 21.11 H new ATOM 0 HG23 THR A 35 12.481 -10.270 2.157 1.00 21.11 H new ATOM 565 N ALA A 36 13.822 -6.630 3.617 1.00 32.44 N ATOM 566 CA ALA A 36 14.684 -6.435 4.775 1.00 70.24 C ATOM 567 C ALA A 36 14.674 -7.661 5.680 1.00 54.21 C ATOM 568 O ALA A 36 15.501 -7.783 6.585 1.00 10.51 O ATOM 569 CB ALA A 36 14.254 -5.199 5.551 1.00 11.33 C ATOM 0 H ALA A 36 13.020 -6.001 3.577 1.00 32.44 H new ATOM 0 HA ALA A 36 15.703 -6.289 4.417 1.00 70.24 H new ATOM 0 HB1 ALA A 36 14.907 -5.066 6.414 1.00 11.33 H new ATOM 0 HB2 ALA A 36 14.321 -4.323 4.906 1.00 11.33 H new ATOM 0 HB3 ALA A 36 13.225 -5.322 5.890 1.00 11.33 H new ATOM 575 N SER A 37 13.734 -8.567 5.432 1.00 12.43 N ATOM 576 CA SER A 37 13.613 -9.782 6.228 1.00 24.12 C ATOM 577 C SER A 37 13.924 -11.016 5.388 1.00 71.45 C ATOM 578 O SER A 37 13.484 -12.121 5.700 1.00 35.33 O ATOM 579 CB SER A 37 12.206 -9.895 6.818 1.00 74.34 C ATOM 580 OG SER A 37 12.248 -9.966 8.232 1.00 31.32 O ATOM 0 H SER A 37 13.044 -8.482 4.685 1.00 12.43 H new ATOM 0 HA SER A 37 14.336 -9.725 7.041 1.00 24.12 H new ATOM 0 HB2 SER A 37 11.610 -9.035 6.512 1.00 74.34 H new ATOM 0 HB3 SER A 37 11.712 -10.782 6.421 1.00 74.34 H new ATOM 0 HG SER A 37 11.336 -10.036 8.583 1.00 31.32 H new ATOM 586 N GLY A 38 14.688 -10.818 4.316 1.00 20.32 N ATOM 587 CA GLY A 38 15.045 -11.922 3.446 1.00 11.02 C ATOM 588 C GLY A 38 14.456 -11.779 2.056 1.00 44.13 C ATOM 589 O GLY A 38 14.626 -10.749 1.404 1.00 2.10 O ATOM 0 H GLY A 38 15.065 -9.913 4.036 1.00 20.32 H new ATOM 0 HA2 GLY A 38 16.131 -11.986 3.372 1.00 11.02 H new ATOM 0 HA3 GLY A 38 14.700 -12.856 3.889 1.00 11.02 H new ATOM 593 N VAL A 39 13.762 -12.817 1.600 1.00 25.01 N ATOM 594 CA VAL A 39 13.145 -12.803 0.279 1.00 53.13 C ATOM 595 C VAL A 39 11.778 -13.477 0.303 1.00 4.40 C ATOM 596 O VAL A 39 11.581 -14.478 0.991 1.00 12.03 O ATOM 597 CB VAL A 39 14.034 -13.508 -0.763 1.00 31.52 C ATOM 598 CG1 VAL A 39 13.949 -15.018 -0.604 1.00 45.01 C ATOM 599 CG2 VAL A 39 13.640 -13.088 -2.171 1.00 44.20 C ATOM 0 H VAL A 39 13.613 -13.678 2.126 1.00 25.01 H new ATOM 0 HA VAL A 39 13.026 -11.757 -0.003 1.00 53.13 H new ATOM 0 HB VAL A 39 15.068 -13.207 -0.595 1.00 31.52 H new ATOM 0 HG11 VAL A 39 14.584 -15.499 -1.349 1.00 45.01 H new ATOM 0 HG12 VAL A 39 14.285 -15.298 0.394 1.00 45.01 H new ATOM 0 HG13 VAL A 39 12.917 -15.341 -0.744 1.00 45.01 H new ATOM 0 HG21 VAL A 39 14.278 -13.596 -2.894 1.00 44.20 H new ATOM 0 HG22 VAL A 39 12.600 -13.357 -2.353 1.00 44.20 H new ATOM 0 HG23 VAL A 39 13.759 -12.010 -2.276 1.00 44.20 H new ATOM 609 N GLU A 40 10.837 -12.922 -0.454 1.00 32.42 N ATOM 610 CA GLU A 40 9.488 -13.470 -0.519 1.00 60.10 C ATOM 611 C GLU A 40 9.280 -14.255 -1.811 1.00 42.53 C ATOM 612 O GLU A 40 9.535 -13.749 -2.904 1.00 20.13 O ATOM 613 CB GLU A 40 8.452 -12.347 -0.420 1.00 24.13 C ATOM 614 CG GLU A 40 8.747 -11.343 0.681 1.00 11.04 C ATOM 615 CD GLU A 40 7.524 -10.544 1.086 1.00 24.31 C ATOM 616 OE1 GLU A 40 6.430 -10.822 0.551 1.00 60.43 O ATOM 617 OE2 GLU A 40 7.660 -9.639 1.936 1.00 55.13 O1- ATOM 0 H GLU A 40 10.984 -12.094 -1.031 1.00 32.42 H new ATOM 0 HA GLU A 40 9.359 -14.150 0.323 1.00 60.10 H new ATOM 0 HB2 GLU A 40 8.404 -11.823 -1.375 1.00 24.13 H new ATOM 0 HB3 GLU A 40 7.469 -12.785 -0.247 1.00 24.13 H new ATOM 0 HG2 GLU A 40 9.137 -11.869 1.552 1.00 11.04 H new ATOM 0 HG3 GLU A 40 9.527 -10.660 0.345 1.00 11.04 H new ATOM 624 N GLN A 41 8.817 -15.493 -1.676 1.00 42.11 N ATOM 625 CA GLN A 41 8.577 -16.348 -2.833 1.00 75.52 C ATOM 626 C GLN A 41 7.107 -16.317 -3.238 1.00 53.35 C ATOM 627 O GLN A 41 6.229 -16.093 -2.405 1.00 61.42 O ATOM 628 CB GLN A 41 9.003 -17.786 -2.528 1.00 53.24 C ATOM 629 CG GLN A 41 10.483 -17.926 -2.205 1.00 24.20 C ATOM 630 CD GLN A 41 11.302 -18.372 -3.399 1.00 1.24 C ATOM 631 OE1 GLN A 41 10.764 -18.900 -4.373 1.00 52.30 O ATOM 632 NE2 GLN A 41 12.611 -18.160 -3.332 1.00 4.21 N ATOM 0 H GLN A 41 8.601 -15.926 -0.778 1.00 42.11 H new ATOM 0 HA GLN A 41 9.172 -15.968 -3.663 1.00 75.52 H new ATOM 0 HB2 GLN A 41 8.419 -18.159 -1.686 1.00 53.24 H new ATOM 0 HB3 GLN A 41 8.765 -18.416 -3.385 1.00 53.24 H new ATOM 0 HG2 GLN A 41 10.864 -16.970 -1.845 1.00 24.20 H new ATOM 0 HG3 GLN A 41 10.608 -18.645 -1.395 1.00 24.20 H new ATOM 0 HE21 GLN A 41 13.015 -17.719 -2.505 1.00 4.21 H new ATOM 0 HE22 GLN A 41 13.213 -18.438 -4.107 1.00 4.21 H new ATOM 641 N TRP A 42 6.848 -16.541 -4.521 1.00 43.02 N ATOM 642 CA TRP A 42 5.483 -16.538 -5.036 1.00 5.44 C ATOM 643 C TRP A 42 5.357 -17.450 -6.250 1.00 60.44 C ATOM 644 O TRP A 42 6.283 -17.557 -7.056 1.00 11.52 O ATOM 645 CB TRP A 42 5.059 -15.115 -5.405 1.00 34.30 C ATOM 646 CG TRP A 42 5.105 -14.162 -4.249 1.00 73.05 C ATOM 647 CD1 TRP A 42 6.182 -13.434 -3.830 1.00 55.51 C ATOM 648 CD2 TRP A 42 4.029 -13.836 -3.363 1.00 63.13 C ATOM 649 NE1 TRP A 42 5.839 -12.675 -2.737 1.00 41.21 N ATOM 650 CE2 TRP A 42 4.524 -12.903 -2.431 1.00 71.54 C ATOM 651 CE3 TRP A 42 2.695 -14.241 -3.268 1.00 23.42 C ATOM 652 CZ2 TRP A 42 3.731 -12.371 -1.418 1.00 54.54 C ATOM 653 CZ3 TRP A 42 1.909 -13.712 -2.261 1.00 35.41 C ATOM 654 CH2 TRP A 42 2.428 -12.785 -1.348 1.00 22.13 C ATOM 0 H TRP A 42 7.564 -16.727 -5.223 1.00 43.02 H new ATOM 0 HA TRP A 42 4.825 -16.915 -4.253 1.00 5.44 H new ATOM 0 HB2 TRP A 42 5.708 -14.744 -6.198 1.00 34.30 H new ATOM 0 HB3 TRP A 42 4.046 -15.138 -5.807 1.00 34.30 H new ATOM 0 HD1 TRP A 42 7.159 -13.452 -4.290 1.00 55.51 H new ATOM 0 HE1 TRP A 42 6.463 -12.044 -2.235 1.00 41.21 H new ATOM 0 HE3 TRP A 42 2.286 -14.954 -3.968 1.00 23.42 H new ATOM 0 HZ2 TRP A 42 4.130 -11.657 -0.712 1.00 54.54 H new ATOM 0 HZ3 TRP A 42 0.877 -14.019 -2.177 1.00 35.41 H new ATOM 0 HH2 TRP A 42 1.788 -12.389 -0.574 1.00 22.13 H new ATOM 665 N ILE A 43 4.208 -18.105 -6.376 1.00 22.22 N ATOM 666 CA ILE A 43 3.963 -19.008 -7.494 1.00 14.53 C ATOM 667 C ILE A 43 2.841 -18.487 -8.386 1.00 73.12 C ATOM 668 O ILE A 43 1.682 -18.430 -7.974 1.00 34.33 O ATOM 669 CB ILE A 43 3.599 -20.424 -7.006 1.00 20.41 C ATOM 670 CG1 ILE A 43 4.684 -20.957 -6.067 1.00 31.22 C ATOM 671 CG2 ILE A 43 3.409 -21.360 -8.190 1.00 31.11 C ATOM 672 CD1 ILE A 43 4.369 -20.752 -4.602 1.00 2.14 C ATOM 0 H ILE A 43 3.432 -18.027 -5.718 1.00 22.22 H new ATOM 0 HA ILE A 43 4.888 -19.057 -8.068 1.00 14.53 H new ATOM 0 HB ILE A 43 2.660 -20.373 -6.455 1.00 20.41 H new ATOM 0 HG12 ILE A 43 4.825 -22.021 -6.255 1.00 31.22 H new ATOM 0 HG13 ILE A 43 5.628 -20.465 -6.300 1.00 31.22 H new ATOM 0 HG21 ILE A 43 3.152 -22.356 -7.829 1.00 31.11 H new ATOM 0 HG22 ILE A 43 2.605 -20.986 -8.824 1.00 31.11 H new ATOM 0 HG23 ILE A 43 4.333 -21.410 -8.766 1.00 31.11 H new ATOM 0 HD11 ILE A 43 5.181 -21.154 -3.996 1.00 2.14 H new ATOM 0 HD12 ILE A 43 4.257 -19.687 -4.399 1.00 2.14 H new ATOM 0 HD13 ILE A 43 3.441 -21.268 -4.354 1.00 2.14 H new ATOM 684 N VAL A 44 3.193 -18.108 -9.610 1.00 32.54 N ATOM 685 CA VAL A 44 2.215 -17.594 -10.562 1.00 1.41 C ATOM 686 C VAL A 44 1.993 -18.576 -11.706 1.00 62.00 C ATOM 687 O VAL A 44 2.825 -18.696 -12.605 1.00 64.24 O ATOM 688 CB VAL A 44 2.658 -16.238 -11.143 1.00 75.11 C ATOM 689 CG1 VAL A 44 1.448 -15.417 -11.563 1.00 0.24 C ATOM 690 CG2 VAL A 44 3.504 -15.477 -10.133 1.00 14.24 C ATOM 0 H VAL A 44 4.148 -18.147 -9.966 1.00 32.54 H new ATOM 0 HA VAL A 44 1.281 -17.460 -10.016 1.00 1.41 H new ATOM 0 HB VAL A 44 3.267 -16.422 -12.028 1.00 75.11 H new ATOM 0 HG11 VAL A 44 1.780 -14.462 -11.971 1.00 0.24 H new ATOM 0 HG12 VAL A 44 0.885 -15.960 -12.322 1.00 0.24 H new ATOM 0 HG13 VAL A 44 0.810 -15.239 -10.697 1.00 0.24 H new ATOM 0 HG21 VAL A 44 3.808 -14.521 -10.560 1.00 14.24 H new ATOM 0 HG22 VAL A 44 2.921 -15.301 -9.229 1.00 14.24 H new ATOM 0 HG23 VAL A 44 4.390 -16.062 -9.886 1.00 14.24 H new ATOM 700 N ASP A 45 0.865 -19.277 -11.665 1.00 45.32 N ATOM 701 CA ASP A 45 0.531 -20.249 -12.701 1.00 21.31 C ATOM 702 C ASP A 45 -0.125 -19.566 -13.896 1.00 43.53 C ATOM 703 O ASP A 45 -0.778 -18.532 -13.752 1.00 12.42 O ATOM 704 CB ASP A 45 -0.398 -21.326 -12.138 1.00 64.12 C ATOM 705 CG ASP A 45 -1.464 -21.746 -13.131 1.00 63.33 C ATOM 706 OD1 ASP A 45 -1.256 -22.758 -13.833 1.00 21.05 O ATOM 707 OD2 ASP A 45 -2.507 -21.063 -13.205 1.00 51.12 O1- ATOM 0 H ASP A 45 0.167 -19.191 -10.926 1.00 45.32 H new ATOM 0 HA ASP A 45 1.456 -20.718 -13.037 1.00 21.31 H new ATOM 0 HB2 ASP A 45 0.191 -22.197 -11.852 1.00 64.12 H new ATOM 0 HB3 ASP A 45 -0.876 -20.953 -11.232 1.00 64.12 H new ATOM 712 N LEU A 46 0.053 -20.150 -15.076 1.00 52.01 N ATOM 713 CA LEU A 46 -0.521 -19.596 -16.298 1.00 33.22 C ATOM 714 C LEU A 46 -1.594 -20.523 -16.863 1.00 13.22 C ATOM 715 O LEU A 46 -2.362 -20.136 -17.743 1.00 72.41 O ATOM 716 CB LEU A 46 0.574 -19.370 -17.342 1.00 61.21 C ATOM 717 CG LEU A 46 1.790 -20.292 -17.251 1.00 13.54 C ATOM 718 CD1 LEU A 46 2.436 -20.460 -18.618 1.00 24.32 C ATOM 719 CD2 LEU A 46 2.797 -19.751 -16.247 1.00 32.43 C ATOM 0 H LEU A 46 0.590 -21.006 -15.213 1.00 52.01 H new ATOM 0 HA LEU A 46 -0.984 -18.640 -16.053 1.00 33.22 H new ATOM 0 HB2 LEU A 46 0.132 -19.481 -18.332 1.00 61.21 H new ATOM 0 HB3 LEU A 46 0.918 -18.339 -17.261 1.00 61.21 H new ATOM 0 HG LEU A 46 1.454 -21.270 -16.907 1.00 13.54 H new ATOM 0 HD11 LEU A 46 3.300 -21.119 -18.534 1.00 24.32 H new ATOM 0 HD12 LEU A 46 1.715 -20.894 -19.311 1.00 24.32 H new ATOM 0 HD13 LEU A 46 2.757 -19.487 -18.991 1.00 24.32 H new ATOM 0 HD21 LEU A 46 3.656 -20.421 -16.196 1.00 32.43 H new ATOM 0 HD22 LEU A 46 3.127 -18.761 -16.561 1.00 32.43 H new ATOM 0 HD23 LEU A 46 2.331 -19.684 -15.264 1.00 32.43 H new ATOM 731 N LYS A 47 -1.641 -21.747 -16.348 1.00 32.14 N ATOM 732 CA LYS A 47 -2.622 -22.728 -16.798 1.00 73.41 C ATOM 733 C LYS A 47 -4.034 -22.304 -16.406 1.00 25.15 C ATOM 734 O LYS A 47 -4.940 -22.289 -17.239 1.00 30.54 O ATOM 735 CB LYS A 47 -2.307 -24.103 -16.203 1.00 12.14 C ATOM 736 CG LYS A 47 -0.861 -24.528 -16.386 1.00 71.22 C ATOM 737 CD LYS A 47 -0.407 -25.457 -15.272 1.00 44.04 C ATOM 738 CE LYS A 47 0.527 -26.538 -15.793 1.00 52.41 C ATOM 739 NZ LYS A 47 0.141 -27.889 -15.299 1.00 64.34 N1+ ATOM 0 H LYS A 47 -1.012 -22.083 -15.619 1.00 32.14 H new ATOM 0 HA LYS A 47 -2.568 -22.788 -17.885 1.00 73.41 H new ATOM 0 HB2 LYS A 47 -2.542 -24.091 -15.139 1.00 12.14 H new ATOM 0 HB3 LYS A 47 -2.957 -24.847 -16.664 1.00 12.14 H new ATOM 0 HG2 LYS A 47 -0.747 -25.029 -17.347 1.00 71.22 H new ATOM 0 HG3 LYS A 47 -0.222 -23.646 -16.408 1.00 71.22 H new ATOM 0 HD2 LYS A 47 0.099 -24.879 -14.499 1.00 44.04 H new ATOM 0 HD3 LYS A 47 -1.277 -25.920 -14.806 1.00 44.04 H new ATOM 0 HE2 LYS A 47 0.516 -26.533 -16.883 1.00 52.41 H new ATOM 0 HE3 LYS A 47 1.548 -26.316 -15.483 1.00 52.41 H new ATOM 0 HZ1 LYS A 47 0.802 -28.598 -15.676 1.00 64.34 H new ATOM 0 HZ2 LYS A 47 0.176 -27.902 -14.260 1.00 64.34 H new ATOM 0 HZ3 LYS A 47 -0.824 -28.112 -15.616 1.00 64.34 H new ATOM 753 N GLN A 48 -4.213 -21.961 -15.135 1.00 45.21 N ATOM 754 CA GLN A 48 -5.516 -21.536 -14.635 1.00 10.22 C ATOM 755 C GLN A 48 -5.503 -20.056 -14.272 1.00 4.23 C ATOM 756 O GLN A 48 -6.512 -19.505 -13.827 1.00 2.01 O ATOM 757 CB GLN A 48 -5.913 -22.370 -13.416 1.00 63.24 C ATOM 758 CG GLN A 48 -6.008 -23.860 -13.701 1.00 72.31 C ATOM 759 CD GLN A 48 -6.524 -24.650 -12.514 1.00 33.43 C ATOM 760 OE1 GLN A 48 -7.589 -25.264 -12.578 1.00 25.31 O ATOM 761 NE2 GLN A 48 -5.769 -24.639 -11.422 1.00 43.10 N ATOM 0 H GLN A 48 -3.473 -21.969 -14.433 1.00 45.21 H new ATOM 0 HA GLN A 48 -6.250 -21.690 -15.426 1.00 10.22 H new ATOM 0 HB2 GLN A 48 -5.184 -22.207 -12.622 1.00 63.24 H new ATOM 0 HB3 GLN A 48 -6.875 -22.018 -13.043 1.00 63.24 H new ATOM 0 HG2 GLN A 48 -6.667 -24.021 -14.554 1.00 72.31 H new ATOM 0 HG3 GLN A 48 -5.024 -24.236 -13.983 1.00 72.31 H new ATOM 0 HE21 GLN A 48 -4.893 -24.116 -11.413 1.00 43.10 H new ATOM 0 HE22 GLN A 48 -6.065 -25.153 -10.592 1.00 43.10 H new ATOM 770 N LEU A 49 -4.355 -19.415 -14.462 1.00 40.44 N ATOM 771 CA LEU A 49 -4.210 -17.996 -14.154 1.00 12.54 C ATOM 772 C LEU A 49 -4.490 -17.728 -12.679 1.00 71.02 C ATOM 773 O LEU A 49 -5.559 -17.237 -12.317 1.00 2.15 O ATOM 774 CB LEU A 49 -5.157 -17.166 -15.023 1.00 75.10 C ATOM 775 CG LEU A 49 -4.777 -17.040 -16.498 1.00 14.43 C ATOM 776 CD1 LEU A 49 -3.346 -16.543 -16.640 1.00 31.41 C ATOM 777 CD2 LEU A 49 -4.953 -18.372 -17.211 1.00 22.10 C ATOM 0 H LEU A 49 -3.511 -19.855 -14.828 1.00 40.44 H new ATOM 0 HA LEU A 49 -3.181 -17.706 -14.369 1.00 12.54 H new ATOM 0 HB2 LEU A 49 -6.153 -17.605 -14.961 1.00 75.10 H new ATOM 0 HB3 LEU A 49 -5.223 -16.164 -14.599 1.00 75.10 H new ATOM 0 HG LEU A 49 -5.442 -16.312 -16.963 1.00 14.43 H new ATOM 0 HD11 LEU A 49 -3.093 -16.459 -17.697 1.00 31.41 H new ATOM 0 HD12 LEU A 49 -3.251 -15.566 -16.166 1.00 31.41 H new ATOM 0 HD13 LEU A 49 -2.667 -17.247 -16.159 1.00 31.41 H new ATOM 0 HD21 LEU A 49 -4.678 -18.262 -18.260 1.00 22.10 H new ATOM 0 HD22 LEU A 49 -4.314 -19.122 -16.744 1.00 22.10 H new ATOM 0 HD23 LEU A 49 -5.994 -18.688 -17.140 1.00 22.10 H new ATOM 789 N LYS A 50 -3.520 -18.052 -11.830 1.00 54.03 N ATOM 790 CA LYS A 50 -3.659 -17.844 -10.394 1.00 73.12 C ATOM 791 C LYS A 50 -2.328 -17.427 -9.774 1.00 13.13 C ATOM 792 O LYS A 50 -1.323 -17.290 -10.471 1.00 33.05 O ATOM 793 CB LYS A 50 -4.169 -19.119 -9.720 1.00 23.41 C ATOM 794 CG LYS A 50 -3.265 -20.321 -9.926 1.00 12.24 C ATOM 795 CD LYS A 50 -2.349 -20.541 -8.735 1.00 71.24 C ATOM 796 CE LYS A 50 -2.682 -21.834 -8.006 1.00 14.43 C ATOM 797 NZ LYS A 50 -2.617 -23.014 -8.913 1.00 41.23 N1+ ATOM 0 H LYS A 50 -2.629 -18.460 -12.112 1.00 54.03 H new ATOM 0 HA LYS A 50 -4.381 -17.043 -10.236 1.00 73.12 H new ATOM 0 HB2 LYS A 50 -4.277 -18.936 -8.651 1.00 23.41 H new ATOM 0 HB3 LYS A 50 -5.162 -19.351 -10.106 1.00 23.41 H new ATOM 0 HG2 LYS A 50 -3.873 -21.211 -10.088 1.00 12.24 H new ATOM 0 HG3 LYS A 50 -2.666 -20.177 -10.825 1.00 12.24 H new ATOM 0 HD2 LYS A 50 -1.313 -20.569 -9.072 1.00 71.24 H new ATOM 0 HD3 LYS A 50 -2.438 -19.701 -8.046 1.00 71.24 H new ATOM 0 HE2 LYS A 50 -1.987 -21.974 -7.178 1.00 14.43 H new ATOM 0 HE3 LYS A 50 -3.681 -21.761 -7.575 1.00 14.43 H new ATOM 0 HZ1 LYS A 50 -2.294 -23.846 -8.378 1.00 41.23 H new ATOM 0 HZ2 LYS A 50 -3.561 -23.201 -9.307 1.00 41.23 H new ATOM 0 HZ3 LYS A 50 -1.950 -22.820 -9.687 1.00 41.23 H new ATOM 811 N VAL A 51 -2.331 -17.227 -8.459 1.00 11.01 N ATOM 812 CA VAL A 51 -1.123 -16.828 -7.746 1.00 51.13 C ATOM 813 C VAL A 51 -1.111 -17.390 -6.329 1.00 24.24 C ATOM 814 O VAL A 51 -2.154 -17.490 -5.681 1.00 11.33 O ATOM 815 CB VAL A 51 -0.991 -15.295 -7.679 1.00 74.54 C ATOM 816 CG1 VAL A 51 -2.282 -14.669 -7.172 1.00 60.22 C ATOM 817 CG2 VAL A 51 0.184 -14.899 -6.798 1.00 51.31 C ATOM 0 H VAL A 51 -3.155 -17.335 -7.867 1.00 11.01 H new ATOM 0 HA VAL A 51 -0.278 -17.234 -8.303 1.00 51.13 H new ATOM 0 HB VAL A 51 -0.804 -14.920 -8.685 1.00 74.54 H new ATOM 0 HG11 VAL A 51 -2.170 -13.586 -7.131 1.00 60.22 H new ATOM 0 HG12 VAL A 51 -3.099 -14.924 -7.846 1.00 60.22 H new ATOM 0 HG13 VAL A 51 -2.503 -15.048 -6.174 1.00 60.22 H new ATOM 0 HG21 VAL A 51 0.262 -13.812 -6.762 1.00 51.31 H new ATOM 0 HG22 VAL A 51 0.030 -15.285 -5.790 1.00 51.31 H new ATOM 0 HG23 VAL A 51 1.104 -15.315 -7.209 1.00 51.31 H new ATOM 827 N ASP A 52 0.074 -17.757 -5.854 1.00 34.02 N ATOM 828 CA ASP A 52 0.222 -18.308 -4.512 1.00 10.05 C ATOM 829 C ASP A 52 1.519 -17.830 -3.868 1.00 41.12 C ATOM 830 O ASP A 52 2.380 -17.259 -4.537 1.00 32.23 O ATOM 831 CB ASP A 52 0.195 -19.837 -4.560 1.00 62.44 C ATOM 832 CG ASP A 52 -0.706 -20.367 -5.658 1.00 53.22 C ATOM 833 OD1 ASP A 52 -1.910 -20.565 -5.393 1.00 40.15 O ATOM 834 OD2 ASP A 52 -0.206 -20.581 -6.782 1.00 41.01 O1- ATOM 0 H ASP A 52 0.946 -17.683 -6.378 1.00 34.02 H new ATOM 0 HA ASP A 52 -0.614 -17.956 -3.907 1.00 10.05 H new ATOM 0 HB2 ASP A 52 1.207 -20.211 -4.713 1.00 62.44 H new ATOM 0 HB3 ASP A 52 -0.145 -20.222 -3.598 1.00 62.44 H new ATOM 839 N GLN A 53 1.649 -18.065 -2.566 1.00 45.12 N ATOM 840 CA GLN A 53 2.841 -17.654 -1.832 1.00 63.05 C ATOM 841 C GLN A 53 3.848 -18.797 -1.748 1.00 31.52 C ATOM 842 O GLN A 53 3.504 -19.958 -1.965 1.00 43.42 O ATOM 843 CB GLN A 53 2.463 -17.187 -0.425 1.00 21.35 C ATOM 844 CG GLN A 53 2.247 -18.328 0.557 1.00 51.34 C ATOM 845 CD GLN A 53 0.996 -19.129 0.255 1.00 13.11 C ATOM 846 OE1 GLN A 53 1.116 -20.100 -0.643 1.00 31.44 O flip ATOM 847 NE2 GLN A 53 -0.067 -18.878 0.823 1.00 1.42 N flip ATOM 0 H GLN A 53 0.945 -18.537 -1.998 1.00 45.12 H new ATOM 0 HA GLN A 53 3.302 -16.826 -2.370 1.00 63.05 H new ATOM 0 HB2 GLN A 53 3.249 -16.535 -0.044 1.00 21.35 H new ATOM 0 HB3 GLN A 53 1.553 -16.590 -0.482 1.00 21.35 H new ATOM 0 HG2 GLN A 53 3.112 -18.990 0.534 1.00 51.34 H new ATOM 0 HG3 GLN A 53 2.181 -17.925 1.568 1.00 51.34 H new ATOM 0 HE21 GLN A 53 -0.114 -18.122 1.507 1.00 1.42 H new ATOM 0 HE22 GLN A 53 -0.901 -19.426 0.610 1.00 1.42 H new ATOM 856 N GLY A 54 5.094 -18.459 -1.434 1.00 60.23 N ATOM 857 CA GLY A 54 6.133 -19.467 -1.327 1.00 32.11 C ATOM 858 C GLY A 54 6.702 -19.856 -2.677 1.00 61.12 C ATOM 859 O GLY A 54 6.573 -19.116 -3.651 1.00 34.53 O ATOM 0 H GLY A 54 5.403 -17.504 -1.252 1.00 60.23 H new ATOM 0 HA2 GLY A 54 6.936 -19.092 -0.692 1.00 32.11 H new ATOM 0 HA3 GLY A 54 5.727 -20.353 -0.838 1.00 32.11 H new ATOM 863 N VAL A 55 7.338 -21.022 -2.735 1.00 63.32 N ATOM 864 CA VAL A 55 7.931 -21.509 -3.975 1.00 0.23 C ATOM 865 C VAL A 55 7.247 -22.788 -4.447 1.00 31.05 C ATOM 866 O VAL A 55 6.919 -23.661 -3.644 1.00 13.53 O ATOM 867 CB VAL A 55 9.438 -21.778 -3.808 1.00 42.13 C ATOM 868 CG1 VAL A 55 9.682 -22.781 -2.692 1.00 35.12 C ATOM 869 CG2 VAL A 55 10.039 -22.268 -5.117 1.00 61.54 C ATOM 0 H VAL A 55 7.456 -21.647 -1.938 1.00 63.32 H new ATOM 0 HA VAL A 55 7.789 -20.728 -4.722 1.00 0.23 H new ATOM 0 HB VAL A 55 9.928 -20.843 -3.536 1.00 42.13 H new ATOM 0 HG11 VAL A 55 10.753 -22.958 -2.589 1.00 35.12 H new ATOM 0 HG12 VAL A 55 9.288 -22.386 -1.755 1.00 35.12 H new ATOM 0 HG13 VAL A 55 9.180 -23.719 -2.930 1.00 35.12 H new ATOM 0 HG21 VAL A 55 11.105 -22.453 -4.981 1.00 61.54 H new ATOM 0 HG22 VAL A 55 9.546 -23.191 -5.421 1.00 61.54 H new ATOM 0 HG23 VAL A 55 9.898 -21.511 -5.888 1.00 61.54 H new ATOM 879 N PHE A 56 7.034 -22.890 -5.755 1.00 21.01 N ATOM 880 CA PHE A 56 6.388 -24.062 -6.334 1.00 21.13 C ATOM 881 C PHE A 56 7.298 -25.283 -6.246 1.00 72.32 C ATOM 882 O PHE A 56 8.515 -25.157 -6.114 1.00 54.15 O ATOM 883 CB PHE A 56 6.014 -23.794 -7.793 1.00 15.22 C ATOM 884 CG PHE A 56 5.044 -24.793 -8.356 1.00 13.30 C ATOM 885 CD1 PHE A 56 3.833 -25.033 -7.728 1.00 53.50 C ATOM 886 CD2 PHE A 56 5.345 -25.494 -9.514 1.00 11.02 C ATOM 887 CE1 PHE A 56 2.937 -25.951 -8.244 1.00 22.55 C ATOM 888 CE2 PHE A 56 4.454 -26.413 -10.034 1.00 40.34 C ATOM 889 CZ PHE A 56 3.248 -26.643 -9.398 1.00 32.22 C ATOM 0 H PHE A 56 7.299 -22.176 -6.433 1.00 21.01 H new ATOM 0 HA PHE A 56 5.481 -24.266 -5.765 1.00 21.13 H new ATOM 0 HB2 PHE A 56 5.582 -22.796 -7.872 1.00 15.22 H new ATOM 0 HB3 PHE A 56 6.920 -23.798 -8.399 1.00 15.22 H new ATOM 0 HD1 PHE A 56 3.586 -24.496 -6.824 1.00 53.50 H new ATOM 0 HD2 PHE A 56 6.286 -25.320 -10.015 1.00 11.02 H new ATOM 0 HE1 PHE A 56 1.995 -26.127 -7.745 1.00 22.55 H new ATOM 0 HE2 PHE A 56 4.700 -26.952 -10.937 1.00 40.34 H new ATOM 0 HZ PHE A 56 2.551 -27.362 -9.803 1.00 32.22 H new ATOM 899 N ALA A 57 6.697 -26.466 -6.320 1.00 32.10 N ATOM 900 CA ALA A 57 7.452 -27.712 -6.249 1.00 4.40 C ATOM 901 C ALA A 57 8.529 -27.762 -7.328 1.00 45.14 C ATOM 902 O ALA A 57 9.579 -28.377 -7.142 1.00 5.11 O ATOM 903 CB ALA A 57 6.516 -28.905 -6.381 1.00 15.14 C ATOM 0 H ALA A 57 5.690 -26.588 -6.429 1.00 32.10 H new ATOM 0 HA ALA A 57 7.944 -27.755 -5.277 1.00 4.40 H new ATOM 0 HB1 ALA A 57 7.093 -29.828 -6.326 1.00 15.14 H new ATOM 0 HB2 ALA A 57 5.785 -28.885 -5.572 1.00 15.14 H new ATOM 0 HB3 ALA A 57 5.998 -28.857 -7.339 1.00 15.14 H new ATOM 909 N SER A 58 8.262 -27.110 -8.456 1.00 54.32 N ATOM 910 CA SER A 58 9.208 -27.086 -9.565 1.00 12.25 C ATOM 911 C SER A 58 8.676 -26.231 -10.712 1.00 23.03 C ATOM 912 O SER A 58 8.114 -26.733 -11.686 1.00 74.33 O ATOM 913 CB SER A 58 9.486 -28.507 -10.059 1.00 24.15 C ATOM 914 OG SER A 58 10.823 -28.636 -10.513 1.00 63.33 O ATOM 0 H SER A 58 7.400 -26.592 -8.625 1.00 54.32 H new ATOM 0 HA SER A 58 10.139 -26.646 -9.207 1.00 12.25 H new ATOM 0 HB2 SER A 58 9.302 -29.218 -9.254 1.00 24.15 H new ATOM 0 HB3 SER A 58 8.798 -28.756 -10.867 1.00 24.15 H new ATOM 0 HG SER A 58 10.977 -29.553 -10.822 1.00 63.33 H new ATOM 920 N PRO A 59 8.857 -24.907 -10.596 1.00 64.12 N ATOM 921 CA PRO A 59 8.404 -23.954 -11.613 1.00 73.32 C ATOM 922 C PRO A 59 9.215 -24.051 -12.901 1.00 23.22 C ATOM 923 O PRO A 59 10.392 -24.409 -12.879 1.00 4.44 O ATOM 924 CB PRO A 59 8.620 -22.593 -10.946 1.00 61.42 C ATOM 925 CG PRO A 59 9.702 -22.828 -9.950 1.00 4.13 C ATOM 926 CD PRO A 59 9.519 -24.238 -9.463 1.00 10.03 C ATOM 0 HA PRO A 59 7.372 -24.138 -11.913 1.00 73.32 H new ATOM 0 HB2 PRO A 59 8.910 -21.836 -11.675 1.00 61.42 H new ATOM 0 HB3 PRO A 59 7.709 -22.239 -10.464 1.00 61.42 H new ATOM 0 HG2 PRO A 59 10.685 -22.696 -10.403 1.00 4.13 H new ATOM 0 HG3 PRO A 59 9.634 -22.119 -9.125 1.00 4.13 H new ATOM 0 HD2 PRO A 59 10.473 -24.707 -9.221 1.00 10.03 H new ATOM 0 HD3 PRO A 59 8.908 -24.276 -8.561 1.00 10.03 H new ATOM 934 N ASP A 60 8.577 -23.728 -14.021 1.00 20.31 N ATOM 935 CA ASP A 60 9.242 -23.778 -15.319 1.00 71.05 C ATOM 936 C ASP A 60 10.159 -22.574 -15.505 1.00 72.31 C ATOM 937 O ASP A 60 11.019 -22.566 -16.386 1.00 5.43 O ATOM 938 CB ASP A 60 8.206 -23.825 -16.443 1.00 60.31 C ATOM 939 CG ASP A 60 8.399 -25.017 -17.359 1.00 74.41 C ATOM 940 OD1 ASP A 60 9.531 -25.211 -17.851 1.00 62.40 O ATOM 941 OD2 ASP A 60 7.419 -25.757 -17.583 1.00 72.43 O1- ATOM 0 H ASP A 60 7.602 -23.429 -14.057 1.00 20.31 H new ATOM 0 HA ASP A 60 9.849 -24.683 -15.356 1.00 71.05 H new ATOM 0 HB2 ASP A 60 7.206 -23.861 -16.010 1.00 60.31 H new ATOM 0 HB3 ASP A 60 8.267 -22.907 -17.028 1.00 60.31 H new ATOM 946 N VAL A 61 9.969 -21.555 -14.672 1.00 23.13 N ATOM 947 CA VAL A 61 10.780 -20.346 -14.745 1.00 4.42 C ATOM 948 C VAL A 61 10.916 -19.693 -13.374 1.00 2.01 C ATOM 949 O VAL A 61 10.013 -19.774 -12.542 1.00 3.25 O ATOM 950 CB VAL A 61 10.179 -19.327 -15.730 1.00 33.32 C ATOM 951 CG1 VAL A 61 11.016 -18.057 -15.762 1.00 0.55 C ATOM 952 CG2 VAL A 61 10.063 -19.933 -17.120 1.00 33.43 C ATOM 0 H VAL A 61 9.260 -21.543 -13.939 1.00 23.13 H new ATOM 0 HA VAL A 61 11.766 -20.646 -15.101 1.00 4.42 H new ATOM 0 HB VAL A 61 9.178 -19.066 -15.388 1.00 33.32 H new ATOM 0 HG11 VAL A 61 10.576 -17.349 -16.464 1.00 0.55 H new ATOM 0 HG12 VAL A 61 11.042 -17.613 -14.767 1.00 0.55 H new ATOM 0 HG13 VAL A 61 12.031 -18.298 -16.078 1.00 0.55 H new ATOM 0 HG21 VAL A 61 9.636 -19.198 -17.803 1.00 33.43 H new ATOM 0 HG22 VAL A 61 11.052 -20.225 -17.473 1.00 33.43 H new ATOM 0 HG23 VAL A 61 9.418 -20.811 -17.082 1.00 33.43 H new ATOM 962 N THR A 62 12.052 -19.041 -13.146 1.00 50.24 N ATOM 963 CA THR A 62 12.309 -18.373 -11.876 1.00 14.23 C ATOM 964 C THR A 62 12.535 -16.879 -12.076 1.00 31.34 C ATOM 965 O THR A 62 13.595 -16.459 -12.543 1.00 52.43 O ATOM 966 CB THR A 62 13.533 -18.975 -11.161 1.00 64.24 C ATOM 967 OG1 THR A 62 14.077 -20.047 -11.940 1.00 4.13 O ATOM 968 CG2 THR A 62 13.155 -19.488 -9.779 1.00 53.40 C ATOM 0 H THR A 62 12.809 -18.961 -13.825 1.00 50.24 H new ATOM 0 HA THR A 62 11.425 -18.524 -11.256 1.00 14.23 H new ATOM 0 HB THR A 62 14.282 -18.191 -11.048 1.00 64.24 H new ATOM 0 HG1 THR A 62 14.629 -20.620 -11.368 1.00 4.13 H new ATOM 0 HG21 THR A 62 14.036 -19.909 -9.294 1.00 53.40 H new ATOM 0 HG22 THR A 62 12.768 -18.665 -9.179 1.00 53.40 H new ATOM 0 HG23 THR A 62 12.390 -20.259 -9.874 1.00 53.40 H new ATOM 976 N VAL A 63 11.534 -16.081 -11.721 1.00 71.42 N ATOM 977 CA VAL A 63 11.625 -14.632 -11.860 1.00 52.44 C ATOM 978 C VAL A 63 12.052 -13.980 -10.551 1.00 12.25 C ATOM 979 O VAL A 63 11.426 -14.181 -9.510 1.00 15.12 O ATOM 980 CB VAL A 63 10.282 -14.026 -12.308 1.00 74.33 C ATOM 981 CG1 VAL A 63 10.362 -12.507 -12.329 1.00 23.22 C ATOM 982 CG2 VAL A 63 9.884 -14.565 -13.674 1.00 54.53 C ATOM 0 H VAL A 63 10.650 -16.413 -11.335 1.00 71.42 H new ATOM 0 HA VAL A 63 12.377 -14.434 -12.623 1.00 52.44 H new ATOM 0 HB VAL A 63 9.515 -14.316 -11.590 1.00 74.33 H new ATOM 0 HG11 VAL A 63 9.404 -12.097 -12.648 1.00 23.22 H new ATOM 0 HG12 VAL A 63 10.599 -12.141 -11.330 1.00 23.22 H new ATOM 0 HG13 VAL A 63 11.141 -12.193 -13.024 1.00 23.22 H new ATOM 0 HG21 VAL A 63 8.933 -14.126 -13.975 1.00 54.53 H new ATOM 0 HG22 VAL A 63 10.650 -14.306 -14.405 1.00 54.53 H new ATOM 0 HG23 VAL A 63 9.783 -15.649 -13.622 1.00 54.53 H new ATOM 992 N THR A 64 13.124 -13.195 -10.608 1.00 21.22 N ATOM 993 CA THR A 64 13.638 -12.514 -9.427 1.00 44.01 C ATOM 994 C THR A 64 13.690 -11.005 -9.642 1.00 25.10 C ATOM 995 O THR A 64 14.393 -10.519 -10.530 1.00 72.04 O ATOM 996 CB THR A 64 15.044 -13.016 -9.054 1.00 34.33 C ATOM 997 OG1 THR A 64 15.003 -14.420 -8.770 1.00 1.35 O ATOM 998 CG2 THR A 64 15.586 -12.266 -7.847 1.00 73.53 C ATOM 0 H THR A 64 13.653 -13.015 -11.461 1.00 21.22 H new ATOM 0 HA THR A 64 12.953 -12.740 -8.610 1.00 44.01 H new ATOM 0 HB THR A 64 15.706 -12.835 -9.901 1.00 34.33 H new ATOM 0 HG1 THR A 64 15.902 -14.733 -8.535 1.00 1.35 H new ATOM 0 HG21 THR A 64 16.581 -12.639 -7.603 1.00 73.53 H new ATOM 0 HG22 THR A 64 15.644 -11.202 -8.076 1.00 73.53 H new ATOM 0 HG23 THR A 64 14.923 -12.419 -6.996 1.00 73.53 H new ATOM 1006 N VAL A 65 12.944 -10.268 -8.826 1.00 24.10 N ATOM 1007 CA VAL A 65 12.909 -8.814 -8.926 1.00 44.40 C ATOM 1008 C VAL A 65 12.867 -8.169 -7.545 1.00 72.43 C ATOM 1009 O VAL A 65 11.988 -8.465 -6.737 1.00 51.43 O ATOM 1010 CB VAL A 65 11.691 -8.338 -9.740 1.00 33.51 C ATOM 1011 CG1 VAL A 65 10.400 -8.850 -9.119 1.00 53.11 C ATOM 1012 CG2 VAL A 65 11.678 -6.820 -9.841 1.00 61.51 C ATOM 0 H VAL A 65 12.355 -10.654 -8.088 1.00 24.10 H new ATOM 0 HA VAL A 65 13.822 -8.509 -9.438 1.00 44.40 H new ATOM 0 HB VAL A 65 11.768 -8.746 -10.748 1.00 33.51 H new ATOM 0 HG11 VAL A 65 9.551 -8.504 -9.708 1.00 53.11 H new ATOM 0 HG12 VAL A 65 10.411 -9.940 -9.104 1.00 53.11 H new ATOM 0 HG13 VAL A 65 10.312 -8.474 -8.100 1.00 53.11 H new ATOM 0 HG21 VAL A 65 10.811 -6.501 -10.419 1.00 61.51 H new ATOM 0 HG22 VAL A 65 11.626 -6.389 -8.841 1.00 61.51 H new ATOM 0 HG23 VAL A 65 12.588 -6.480 -10.335 1.00 61.51 H new ATOM 1022 N GLY A 66 13.824 -7.285 -7.282 1.00 71.14 N ATOM 1023 CA GLY A 66 13.878 -6.610 -5.998 1.00 41.23 C ATOM 1024 C GLY A 66 12.571 -5.929 -5.645 1.00 23.54 C ATOM 1025 O GLY A 66 11.683 -5.798 -6.488 1.00 73.14 O ATOM 0 H GLY A 66 14.563 -7.024 -7.935 1.00 71.14 H new ATOM 0 HA2 GLY A 66 14.129 -7.333 -5.221 1.00 41.23 H new ATOM 0 HA3 GLY A 66 14.677 -5.869 -6.014 1.00 41.23 H new ATOM 1029 N LEU A 67 12.451 -5.494 -4.396 1.00 13.24 N ATOM 1030 CA LEU A 67 11.241 -4.823 -3.931 1.00 45.22 C ATOM 1031 C LEU A 67 11.010 -3.526 -4.699 1.00 21.23 C ATOM 1032 O LEU A 67 10.012 -3.381 -5.403 1.00 45.23 O ATOM 1033 CB LEU A 67 11.339 -4.533 -2.433 1.00 52.23 C ATOM 1034 CG LEU A 67 10.024 -4.576 -1.654 1.00 43.21 C ATOM 1035 CD1 LEU A 67 9.623 -6.014 -1.362 1.00 15.22 C ATOM 1036 CD2 LEU A 67 10.143 -3.781 -0.362 1.00 21.12 C ATOM 0 H LEU A 67 13.177 -5.594 -3.686 1.00 13.24 H new ATOM 0 HA LEU A 67 10.394 -5.486 -4.111 1.00 45.22 H new ATOM 0 HB2 LEU A 67 12.026 -5.253 -1.988 1.00 52.23 H new ATOM 0 HB3 LEU A 67 11.783 -3.546 -2.303 1.00 52.23 H new ATOM 0 HG LEU A 67 9.246 -4.121 -2.267 1.00 43.21 H new ATOM 0 HD11 LEU A 67 8.685 -6.025 -0.807 1.00 15.22 H new ATOM 0 HD12 LEU A 67 9.496 -6.554 -2.300 1.00 15.22 H new ATOM 0 HD13 LEU A 67 10.401 -6.495 -0.769 1.00 15.22 H new ATOM 0 HD21 LEU A 67 9.198 -3.823 0.179 1.00 21.12 H new ATOM 0 HD22 LEU A 67 10.934 -4.207 0.256 1.00 21.12 H new ATOM 0 HD23 LEU A 67 10.383 -2.743 -0.594 1.00 21.12 H new ATOM 1048 N GLU A 68 11.940 -2.587 -4.559 1.00 23.10 N ATOM 1049 CA GLU A 68 11.837 -1.302 -5.241 1.00 24.34 C ATOM 1050 C GLU A 68 11.659 -1.497 -6.744 1.00 61.31 C ATOM 1051 O GLU A 68 10.824 -0.845 -7.370 1.00 21.23 O ATOM 1052 CB GLU A 68 13.082 -0.454 -4.969 1.00 2.03 C ATOM 1053 CG GLU A 68 13.442 -0.357 -3.496 1.00 62.33 C ATOM 1054 CD GLU A 68 14.166 0.932 -3.157 1.00 54.24 C ATOM 1055 OE1 GLU A 68 14.108 1.352 -1.982 1.00 72.13 O ATOM 1056 OE2 GLU A 68 14.789 1.520 -4.065 1.00 60.41 O1- ATOM 0 H GLU A 68 12.773 -2.692 -3.980 1.00 23.10 H new ATOM 0 HA GLU A 68 10.961 -0.783 -4.853 1.00 24.34 H new ATOM 0 HB2 GLU A 68 13.926 -0.878 -5.514 1.00 2.03 H new ATOM 0 HB3 GLU A 68 12.921 0.550 -5.362 1.00 2.03 H new ATOM 0 HG2 GLU A 68 12.533 -0.427 -2.898 1.00 62.33 H new ATOM 0 HG3 GLU A 68 14.070 -1.205 -3.222 1.00 62.33 H new ATOM 1063 N ASP A 69 12.451 -2.397 -7.316 1.00 20.45 N ATOM 1064 CA ASP A 69 12.382 -2.679 -8.745 1.00 42.22 C ATOM 1065 C ASP A 69 10.952 -3.002 -9.166 1.00 43.43 C ATOM 1066 O ASP A 69 10.434 -2.433 -10.127 1.00 14.14 O ATOM 1067 CB ASP A 69 13.307 -3.843 -9.103 1.00 71.20 C ATOM 1068 CG ASP A 69 14.772 -3.495 -8.917 1.00 61.35 C ATOM 1069 OD1 ASP A 69 15.130 -2.314 -9.106 1.00 51.33 O ATOM 1070 OD2 ASP A 69 15.559 -4.405 -8.582 1.00 23.21 O1- ATOM 0 H ASP A 69 13.149 -2.944 -6.812 1.00 20.45 H new ATOM 0 HA ASP A 69 12.708 -1.788 -9.282 1.00 42.22 H new ATOM 0 HB2 ASP A 69 13.059 -4.704 -8.483 1.00 71.20 H new ATOM 0 HB3 ASP A 69 13.134 -4.136 -10.139 1.00 71.20 H new ATOM 1075 N MET A 70 10.320 -3.919 -8.441 1.00 54.02 N ATOM 1076 CA MET A 70 8.949 -4.318 -8.741 1.00 40.11 C ATOM 1077 C MET A 70 7.974 -3.186 -8.433 1.00 33.44 C ATOM 1078 O MET A 70 7.109 -2.860 -9.247 1.00 2.01 O ATOM 1079 CB MET A 70 8.571 -5.564 -7.937 1.00 64.44 C ATOM 1080 CG MET A 70 7.383 -6.319 -8.510 1.00 53.12 C ATOM 1081 SD MET A 70 7.727 -7.028 -10.132 1.00 44.35 S ATOM 1082 CE MET A 70 7.188 -8.718 -9.884 1.00 74.02 C ATOM 0 H MET A 70 10.734 -4.400 -7.642 1.00 54.02 H new ATOM 0 HA MET A 70 8.888 -4.548 -9.805 1.00 40.11 H new ATOM 0 HB2 MET A 70 9.430 -6.233 -7.894 1.00 64.44 H new ATOM 0 HB3 MET A 70 8.344 -5.270 -6.912 1.00 64.44 H new ATOM 0 HG2 MET A 70 7.098 -7.116 -7.823 1.00 53.12 H new ATOM 0 HG3 MET A 70 6.531 -5.644 -8.586 1.00 53.12 H new ATOM 0 HE1 MET A 70 7.588 -9.348 -10.679 1.00 74.02 H new ATOM 0 HE2 MET A 70 7.548 -9.077 -8.920 1.00 74.02 H new ATOM 0 HE3 MET A 70 6.099 -8.759 -9.902 1.00 74.02 H new ATOM 1092 N LEU A 71 8.121 -2.589 -7.256 1.00 4.41 N ATOM 1093 CA LEU A 71 7.252 -1.492 -6.842 1.00 52.32 C ATOM 1094 C LEU A 71 7.228 -0.388 -7.894 1.00 50.24 C ATOM 1095 O LEU A 71 6.197 0.243 -8.123 1.00 51.41 O ATOM 1096 CB LEU A 71 7.719 -0.924 -5.500 1.00 73.33 C ATOM 1097 CG LEU A 71 7.708 -1.895 -4.319 1.00 72.22 C ATOM 1098 CD1 LEU A 71 8.781 -1.521 -3.309 1.00 1.03 C ATOM 1099 CD2 LEU A 71 6.337 -1.915 -3.659 1.00 30.51 C ATOM 0 H LEU A 71 8.833 -2.845 -6.572 1.00 4.41 H new ATOM 0 HA LEU A 71 6.241 -1.884 -6.732 1.00 52.32 H new ATOM 0 HB2 LEU A 71 8.733 -0.544 -5.622 1.00 73.33 H new ATOM 0 HB3 LEU A 71 7.087 -0.072 -5.250 1.00 73.33 H new ATOM 0 HG LEU A 71 7.925 -2.895 -4.694 1.00 72.22 H new ATOM 0 HD11 LEU A 71 8.757 -2.224 -2.476 1.00 1.03 H new ATOM 0 HD12 LEU A 71 9.760 -1.558 -3.787 1.00 1.03 H new ATOM 0 HD13 LEU A 71 8.596 -0.513 -2.939 1.00 1.03 H new ATOM 0 HD21 LEU A 71 6.347 -2.611 -2.820 1.00 30.51 H new ATOM 0 HD22 LEU A 71 6.092 -0.916 -3.298 1.00 30.51 H new ATOM 0 HD23 LEU A 71 5.588 -2.232 -4.385 1.00 30.51 H new ATOM 1111 N ALA A 72 8.373 -0.161 -8.531 1.00 72.12 N ATOM 1112 CA ALA A 72 8.483 0.863 -9.563 1.00 10.33 C ATOM 1113 C ALA A 72 7.612 0.524 -10.768 1.00 3.31 C ATOM 1114 O ALA A 72 7.145 1.415 -11.478 1.00 20.22 O ATOM 1115 CB ALA A 72 9.934 1.030 -9.988 1.00 1.25 C ATOM 0 H ALA A 72 9.237 -0.672 -8.350 1.00 72.12 H new ATOM 0 HA ALA A 72 8.128 1.805 -9.145 1.00 10.33 H new ATOM 0 HB1 ALA A 72 10.001 1.798 -10.759 1.00 1.25 H new ATOM 0 HB2 ALA A 72 10.533 1.327 -9.127 1.00 1.25 H new ATOM 0 HB3 ALA A 72 10.309 0.086 -10.383 1.00 1.25 H new ATOM 1121 N ILE A 73 7.398 -0.768 -10.993 1.00 10.35 N ATOM 1122 CA ILE A 73 6.582 -1.222 -12.112 1.00 70.44 C ATOM 1123 C ILE A 73 5.108 -0.911 -11.880 1.00 3.41 C ATOM 1124 O ILE A 73 4.506 -0.126 -12.613 1.00 51.33 O ATOM 1125 CB ILE A 73 6.745 -2.735 -12.349 1.00 2.34 C ATOM 1126 CG1 ILE A 73 8.217 -3.137 -12.231 1.00 5.34 C ATOM 1127 CG2 ILE A 73 6.193 -3.120 -13.714 1.00 52.42 C ATOM 1128 CD1 ILE A 73 8.495 -4.554 -12.683 1.00 20.44 C ATOM 0 H ILE A 73 7.778 -1.518 -10.416 1.00 10.35 H new ATOM 0 HA ILE A 73 6.929 -0.684 -12.994 1.00 70.44 H new ATOM 0 HB ILE A 73 6.180 -3.270 -11.586 1.00 2.34 H new ATOM 0 HG12 ILE A 73 8.821 -2.450 -12.824 1.00 5.34 H new ATOM 0 HG13 ILE A 73 8.533 -3.026 -11.194 1.00 5.34 H new ATOM 0 HG21 ILE A 73 6.315 -4.192 -13.867 1.00 52.42 H new ATOM 0 HG22 ILE A 73 5.134 -2.865 -13.764 1.00 52.42 H new ATOM 0 HG23 ILE A 73 6.733 -2.579 -14.491 1.00 52.42 H new ATOM 0 HD11 ILE A 73 9.558 -4.770 -12.571 1.00 20.44 H new ATOM 0 HD12 ILE A 73 7.918 -5.250 -12.074 1.00 20.44 H new ATOM 0 HD13 ILE A 73 8.210 -4.665 -13.729 1.00 20.44 H new ATOM 1140 N SER A 74 4.531 -1.532 -10.856 1.00 34.22 N ATOM 1141 CA SER A 74 3.126 -1.323 -10.528 1.00 34.44 C ATOM 1142 C SER A 74 2.896 0.088 -9.997 1.00 12.00 C ATOM 1143 O SER A 74 1.764 0.569 -9.949 1.00 4.54 O ATOM 1144 CB SER A 74 2.663 -2.351 -9.494 1.00 32.15 C ATOM 1145 OG SER A 74 3.071 -1.980 -8.189 1.00 43.53 O ATOM 0 H SER A 74 5.015 -2.184 -10.239 1.00 34.22 H new ATOM 0 HA SER A 74 2.543 -1.448 -11.441 1.00 34.44 H new ATOM 0 HB2 SER A 74 1.577 -2.441 -9.527 1.00 32.15 H new ATOM 0 HB3 SER A 74 3.072 -3.330 -9.742 1.00 32.15 H new ATOM 0 HG SER A 74 2.350 -2.172 -7.554 1.00 43.53 H new ATOM 1151 N GLY A 75 3.980 0.748 -9.598 1.00 30.23 N ATOM 1152 CA GLY A 75 3.876 2.098 -9.075 1.00 71.54 C ATOM 1153 C GLY A 75 3.564 3.115 -10.155 1.00 52.41 C ATOM 1154 O GLY A 75 3.381 4.298 -9.870 1.00 72.55 O ATOM 0 H GLY A 75 4.928 0.372 -9.628 1.00 30.23 H new ATOM 0 HA2 GLY A 75 3.097 2.130 -8.314 1.00 71.54 H new ATOM 0 HA3 GLY A 75 4.812 2.368 -8.585 1.00 71.54 H new ATOM 1158 N LYS A 76 3.503 2.655 -11.400 1.00 72.22 N ATOM 1159 CA LYS A 76 3.212 3.533 -12.527 1.00 63.32 C ATOM 1160 C LYS A 76 4.357 4.511 -12.766 1.00 4.25 C ATOM 1161 O LYS A 76 4.247 5.424 -13.585 1.00 51.51 O ATOM 1162 CB LYS A 76 1.913 4.302 -12.279 1.00 43.21 C ATOM 1163 CG LYS A 76 2.128 5.772 -11.963 1.00 10.13 C ATOM 1164 CD LYS A 76 0.935 6.366 -11.232 1.00 41.34 C ATOM 1165 CE LYS A 76 1.149 6.372 -9.726 1.00 40.22 C ATOM 1166 NZ LYS A 76 0.053 7.082 -9.012 1.00 53.25 N1+ ATOM 0 H LYS A 76 3.651 1.678 -11.654 1.00 72.22 H new ATOM 0 HA LYS A 76 3.096 2.914 -13.416 1.00 63.32 H new ATOM 0 HB2 LYS A 76 1.277 4.218 -13.160 1.00 43.21 H new ATOM 0 HB3 LYS A 76 1.377 3.836 -11.452 1.00 43.21 H new ATOM 0 HG2 LYS A 76 3.024 5.887 -11.353 1.00 10.13 H new ATOM 0 HG3 LYS A 76 2.300 6.322 -12.888 1.00 10.13 H new ATOM 0 HD2 LYS A 76 0.764 7.385 -11.580 1.00 41.34 H new ATOM 0 HD3 LYS A 76 0.039 5.793 -11.471 1.00 41.34 H new ATOM 0 HE2 LYS A 76 1.213 5.346 -9.364 1.00 40.22 H new ATOM 0 HE3 LYS A 76 2.101 6.850 -9.497 1.00 40.22 H new ATOM 0 HZ1 LYS A 76 0.236 7.064 -7.988 1.00 53.25 H new ATOM 0 HZ2 LYS A 76 0.008 8.069 -9.338 1.00 53.25 H new ATOM 0 HZ3 LYS A 76 -0.853 6.611 -9.210 1.00 53.25 H new ATOM 1180 N THR A 77 5.458 4.314 -12.047 1.00 13.43 N ATOM 1181 CA THR A 77 6.624 5.178 -12.180 1.00 43.43 C ATOM 1182 C THR A 77 7.604 4.624 -13.207 1.00 63.21 C ATOM 1183 O THR A 77 8.340 5.377 -13.848 1.00 21.54 O ATOM 1184 CB THR A 77 7.351 5.351 -10.834 1.00 71.41 C ATOM 1185 OG1 THR A 77 8.354 6.368 -10.946 1.00 24.34 O ATOM 1186 CG2 THR A 77 7.994 4.045 -10.395 1.00 61.23 C ATOM 0 H THR A 77 5.566 3.563 -11.366 1.00 13.43 H new ATOM 0 HA THR A 77 6.261 6.150 -12.516 1.00 43.43 H new ATOM 0 HB THR A 77 6.616 5.646 -10.085 1.00 71.41 H new ATOM 0 HG1 THR A 77 8.811 6.473 -10.085 1.00 24.34 H new ATOM 0 HG21 THR A 77 8.502 4.192 -9.442 1.00 61.23 H new ATOM 0 HG22 THR A 77 7.225 3.281 -10.283 1.00 61.23 H new ATOM 0 HG23 THR A 77 8.717 3.725 -11.145 1.00 61.23 H new ATOM 1194 N LEU A 78 7.609 3.305 -13.362 1.00 61.23 N ATOM 1195 CA LEU A 78 8.499 2.650 -14.314 1.00 64.41 C ATOM 1196 C LEU A 78 7.820 1.444 -14.955 1.00 4.21 C ATOM 1197 O LEU A 78 6.753 1.012 -14.515 1.00 64.35 O ATOM 1198 CB LEU A 78 9.789 2.211 -13.617 1.00 40.00 C ATOM 1199 CG LEU A 78 11.072 2.897 -14.087 1.00 14.14 C ATOM 1200 CD1 LEU A 78 11.255 2.718 -15.587 1.00 21.42 C ATOM 1201 CD2 LEU A 78 11.051 4.375 -13.724 1.00 52.03 C ATOM 0 H LEU A 78 7.007 2.668 -12.841 1.00 61.23 H new ATOM 0 HA LEU A 78 8.741 3.367 -15.099 1.00 64.41 H new ATOM 0 HB2 LEU A 78 9.678 2.386 -12.547 1.00 40.00 H new ATOM 0 HB3 LEU A 78 9.904 1.136 -13.754 1.00 40.00 H new ATOM 0 HG LEU A 78 11.917 2.430 -13.580 1.00 14.14 H new ATOM 0 HD11 LEU A 78 12.173 3.213 -15.903 1.00 21.42 H new ATOM 0 HD12 LEU A 78 11.316 1.655 -15.822 1.00 21.42 H new ATOM 0 HD13 LEU A 78 10.407 3.157 -16.112 1.00 21.42 H new ATOM 0 HD21 LEU A 78 11.972 4.847 -14.066 1.00 52.03 H new ATOM 0 HD22 LEU A 78 10.198 4.855 -14.203 1.00 52.03 H new ATOM 0 HD23 LEU A 78 10.968 4.483 -12.643 1.00 52.03 H new ATOM 1213 N THR A 79 8.444 0.904 -15.998 1.00 53.44 N ATOM 1214 CA THR A 79 7.900 -0.252 -16.698 1.00 2.24 C ATOM 1215 C THR A 79 8.898 -1.404 -16.716 1.00 31.21 C ATOM 1216 O THR A 79 10.108 -1.191 -16.640 1.00 53.42 O ATOM 1217 CB THR A 79 7.514 0.100 -18.148 1.00 73.11 C ATOM 1218 OG1 THR A 79 8.692 0.227 -18.951 1.00 25.35 O ATOM 1219 CG2 THR A 79 6.718 1.396 -18.196 1.00 71.32 C ATOM 0 H THR A 79 9.326 1.249 -16.376 1.00 53.44 H new ATOM 0 HA THR A 79 7.006 -0.558 -16.155 1.00 2.24 H new ATOM 0 HB THR A 79 6.892 -0.704 -18.541 1.00 73.11 H new ATOM 0 HG1 THR A 79 8.438 0.449 -19.871 1.00 25.35 H new ATOM 0 HG21 THR A 79 6.457 1.624 -19.229 1.00 71.32 H new ATOM 0 HG22 THR A 79 5.807 1.286 -17.607 1.00 71.32 H new ATOM 0 HG23 THR A 79 7.319 2.208 -17.786 1.00 71.32 H new ATOM 1227 N VAL A 80 8.383 -2.625 -16.818 1.00 5.33 N ATOM 1228 CA VAL A 80 9.230 -3.812 -16.847 1.00 10.20 C ATOM 1229 C VAL A 80 10.329 -3.677 -17.897 1.00 63.11 C ATOM 1230 O VAL A 80 11.457 -4.121 -17.690 1.00 72.02 O ATOM 1231 CB VAL A 80 8.409 -5.081 -17.141 1.00 1.42 C ATOM 1232 CG1 VAL A 80 9.294 -6.317 -17.079 1.00 32.31 C ATOM 1233 CG2 VAL A 80 7.245 -5.199 -16.168 1.00 54.23 C ATOM 0 H VAL A 80 7.384 -2.818 -16.882 1.00 5.33 H new ATOM 0 HA VAL A 80 9.683 -3.902 -15.859 1.00 10.20 H new ATOM 0 HB VAL A 80 8.004 -5.005 -18.150 1.00 1.42 H new ATOM 0 HG11 VAL A 80 8.696 -7.204 -17.289 1.00 32.31 H new ATOM 0 HG12 VAL A 80 10.090 -6.232 -17.819 1.00 32.31 H new ATOM 0 HG13 VAL A 80 9.731 -6.402 -16.084 1.00 32.31 H new ATOM 0 HG21 VAL A 80 6.675 -6.101 -16.390 1.00 54.23 H new ATOM 0 HG22 VAL A 80 7.627 -5.253 -15.149 1.00 54.23 H new ATOM 0 HG23 VAL A 80 6.598 -4.328 -16.268 1.00 54.23 H new ATOM 1243 N GLY A 81 9.989 -3.061 -19.026 1.00 1.42 N ATOM 1244 CA GLY A 81 10.957 -2.878 -20.090 1.00 4.53 C ATOM 1245 C GLY A 81 12.235 -2.221 -19.606 1.00 72.43 C ATOM 1246 O GLY A 81 13.333 -2.699 -19.894 1.00 54.32 O ATOM 0 H GLY A 81 9.061 -2.686 -19.222 1.00 1.42 H new ATOM 0 HA2 GLY A 81 11.195 -3.846 -20.531 1.00 4.53 H new ATOM 0 HA3 GLY A 81 10.515 -2.268 -20.878 1.00 4.53 H new ATOM 1250 N ASP A 82 12.093 -1.124 -18.871 1.00 14.13 N ATOM 1251 CA ASP A 82 13.246 -0.401 -18.346 1.00 21.43 C ATOM 1252 C ASP A 82 14.040 -1.274 -17.380 1.00 23.42 C ATOM 1253 O ASP A 82 15.257 -1.411 -17.509 1.00 72.21 O ATOM 1254 CB ASP A 82 12.794 0.880 -17.644 1.00 22.14 C ATOM 1255 CG ASP A 82 13.555 2.101 -18.123 1.00 13.02 C ATOM 1256 OD1 ASP A 82 12.911 3.033 -18.649 1.00 14.15 O ATOM 1257 OD2 ASP A 82 14.794 2.126 -17.968 1.00 41.32 O1- ATOM 0 H ASP A 82 11.191 -0.716 -18.625 1.00 14.13 H new ATOM 0 HA ASP A 82 13.892 -0.138 -19.183 1.00 21.43 H new ATOM 0 HB2 ASP A 82 11.728 1.029 -17.816 1.00 22.14 H new ATOM 0 HB3 ASP A 82 12.930 0.769 -16.568 1.00 22.14 H new ATOM 1262 N ALA A 83 13.344 -1.860 -16.411 1.00 45.42 N ATOM 1263 CA ALA A 83 13.985 -2.719 -15.422 1.00 21.54 C ATOM 1264 C ALA A 83 14.781 -3.832 -16.097 1.00 74.42 C ATOM 1265 O ALA A 83 15.835 -4.240 -15.606 1.00 71.11 O ATOM 1266 CB ALA A 83 12.944 -3.307 -14.482 1.00 12.34 C ATOM 0 H ALA A 83 12.337 -1.756 -16.290 1.00 45.42 H new ATOM 0 HA ALA A 83 14.680 -2.111 -14.842 1.00 21.54 H new ATOM 0 HB1 ALA A 83 13.436 -3.946 -13.749 1.00 12.34 H new ATOM 0 HB2 ALA A 83 12.421 -2.501 -13.968 1.00 12.34 H new ATOM 0 HB3 ALA A 83 12.228 -3.896 -15.055 1.00 12.34 H new ATOM 1272 N LEU A 84 14.272 -4.320 -17.222 1.00 41.30 N ATOM 1273 CA LEU A 84 14.935 -5.386 -17.963 1.00 72.41 C ATOM 1274 C LEU A 84 16.294 -4.925 -18.480 1.00 23.24 C ATOM 1275 O LEU A 84 17.311 -5.586 -18.261 1.00 61.34 O ATOM 1276 CB LEU A 84 14.060 -5.843 -19.132 1.00 54.12 C ATOM 1277 CG LEU A 84 13.729 -7.335 -19.179 1.00 10.02 C ATOM 1278 CD1 LEU A 84 14.977 -8.149 -19.485 1.00 35.23 C ATOM 1279 CD2 LEU A 84 13.105 -7.785 -17.866 1.00 24.15 C ATOM 0 H LEU A 84 13.401 -3.994 -17.641 1.00 41.30 H new ATOM 0 HA LEU A 84 15.090 -6.225 -17.284 1.00 72.41 H new ATOM 0 HB2 LEU A 84 13.124 -5.285 -19.100 1.00 54.12 H new ATOM 0 HB3 LEU A 84 14.561 -5.573 -20.062 1.00 54.12 H new ATOM 0 HG LEU A 84 13.006 -7.502 -19.977 1.00 10.02 H new ATOM 0 HD11 LEU A 84 14.722 -9.208 -19.514 1.00 35.23 H new ATOM 0 HD12 LEU A 84 15.381 -7.846 -20.451 1.00 35.23 H new ATOM 0 HD13 LEU A 84 15.723 -7.977 -18.709 1.00 35.23 H new ATOM 0 HD21 LEU A 84 12.876 -8.849 -17.918 1.00 24.15 H new ATOM 0 HD22 LEU A 84 13.804 -7.604 -17.050 1.00 24.15 H new ATOM 0 HD23 LEU A 84 12.187 -7.225 -17.689 1.00 24.15 H new ATOM 1291 N LYS A 85 16.306 -3.787 -19.166 1.00 13.23 N ATOM 1292 CA LYS A 85 17.541 -3.235 -19.711 1.00 53.44 C ATOM 1293 C LYS A 85 18.595 -3.078 -18.621 1.00 73.11 C ATOM 1294 O LYS A 85 19.751 -3.456 -18.806 1.00 1.12 O ATOM 1295 CB LYS A 85 17.269 -1.881 -20.372 1.00 25.42 C ATOM 1296 CG LYS A 85 17.818 -1.773 -21.784 1.00 52.24 C ATOM 1297 CD LYS A 85 18.053 -0.325 -22.182 1.00 12.13 C ATOM 1298 CE LYS A 85 16.740 0.414 -22.395 1.00 30.01 C ATOM 1299 NZ LYS A 85 16.553 0.812 -23.817 1.00 0.02 N1+ ATOM 0 H LYS A 85 15.474 -3.229 -19.358 1.00 13.23 H new ATOM 0 HA LYS A 85 17.921 -3.929 -20.460 1.00 53.44 H new ATOM 0 HB2 LYS A 85 16.193 -1.707 -20.395 1.00 25.42 H new ATOM 0 HB3 LYS A 85 17.707 -1.093 -19.760 1.00 25.42 H new ATOM 0 HG2 LYS A 85 18.754 -2.327 -21.855 1.00 52.24 H new ATOM 0 HG3 LYS A 85 17.120 -2.235 -22.483 1.00 52.24 H new ATOM 0 HD2 LYS A 85 18.633 0.177 -21.408 1.00 12.13 H new ATOM 0 HD3 LYS A 85 18.645 -0.289 -23.097 1.00 12.13 H new ATOM 0 HE2 LYS A 85 15.911 -0.221 -22.084 1.00 30.01 H new ATOM 0 HE3 LYS A 85 16.716 1.302 -21.763 1.00 30.01 H new ATOM 0 HZ1 LYS A 85 15.647 1.313 -23.921 1.00 0.02 H new ATOM 0 HZ2 LYS A 85 17.331 1.439 -24.107 1.00 0.02 H new ATOM 0 HZ3 LYS A 85 16.550 -0.037 -24.418 1.00 0.02 H new ATOM 1313 N GLN A 86 18.188 -2.520 -17.485 1.00 11.43 N ATOM 1314 CA GLN A 86 19.099 -2.314 -16.366 1.00 53.23 C ATOM 1315 C GLN A 86 19.636 -3.645 -15.850 1.00 21.22 C ATOM 1316 O GLN A 86 20.753 -3.720 -15.340 1.00 41.42 O ATOM 1317 CB GLN A 86 18.391 -1.563 -15.236 1.00 12.42 C ATOM 1318 CG GLN A 86 17.766 -0.250 -15.678 1.00 73.05 C ATOM 1319 CD GLN A 86 17.587 0.725 -14.531 1.00 42.21 C ATOM 1320 OE1 GLN A 86 18.550 1.325 -14.054 1.00 72.11 O ATOM 1321 NE2 GLN A 86 16.347 0.889 -14.081 1.00 61.43 N ATOM 0 H GLN A 86 17.233 -2.203 -17.316 1.00 11.43 H new ATOM 0 HA GLN A 86 19.939 -1.716 -16.719 1.00 53.23 H new ATOM 0 HB2 GLN A 86 17.615 -2.203 -14.816 1.00 12.42 H new ATOM 0 HB3 GLN A 86 19.107 -1.365 -14.438 1.00 12.42 H new ATOM 0 HG2 GLN A 86 18.393 0.207 -16.444 1.00 73.05 H new ATOM 0 HG3 GLN A 86 16.797 -0.449 -16.136 1.00 73.05 H new ATOM 0 HE21 GLN A 86 15.578 0.371 -14.506 1.00 61.43 H new ATOM 0 HE22 GLN A 86 16.165 1.533 -13.311 1.00 61.43 H new ATOM 1330 N GLY A 87 18.831 -4.695 -15.984 1.00 0.43 N ATOM 1331 CA GLY A 87 19.242 -6.009 -15.526 1.00 2.32 C ATOM 1332 C GLY A 87 18.861 -6.264 -14.081 1.00 44.42 C ATOM 1333 O GLY A 87 19.600 -6.914 -13.342 1.00 32.22 O ATOM 0 H GLY A 87 17.901 -4.659 -16.402 1.00 0.43 H new ATOM 0 HA2 GLY A 87 18.786 -6.770 -16.159 1.00 2.32 H new ATOM 0 HA3 GLY A 87 20.322 -6.108 -15.637 1.00 2.32 H new ATOM 1337 N LYS A 88 17.705 -5.750 -13.676 1.00 21.33 N ATOM 1338 CA LYS A 88 17.227 -5.925 -12.310 1.00 11.34 C ATOM 1339 C LYS A 88 16.433 -7.222 -12.173 1.00 1.12 C ATOM 1340 O LYS A 88 16.459 -7.868 -11.126 1.00 61.44 O ATOM 1341 CB LYS A 88 16.356 -4.736 -11.897 1.00 75.34 C ATOM 1342 CG LYS A 88 17.049 -3.394 -12.048 1.00 24.51 C ATOM 1343 CD LYS A 88 17.710 -2.958 -10.751 1.00 73.13 C ATOM 1344 CE LYS A 88 19.226 -3.056 -10.836 1.00 11.13 C ATOM 1345 NZ LYS A 88 19.893 -2.338 -9.715 1.00 30.44 N1+ ATOM 0 H LYS A 88 17.081 -5.209 -14.275 1.00 21.33 H new ATOM 0 HA LYS A 88 18.094 -5.979 -11.652 1.00 11.34 H new ATOM 0 HB2 LYS A 88 15.447 -4.736 -12.499 1.00 75.34 H new ATOM 0 HB3 LYS A 88 16.051 -4.863 -10.858 1.00 75.34 H new ATOM 0 HG2 LYS A 88 17.799 -3.458 -12.836 1.00 24.51 H new ATOM 0 HG3 LYS A 88 16.324 -2.642 -12.358 1.00 24.51 H new ATOM 0 HD2 LYS A 88 17.423 -1.932 -10.523 1.00 73.13 H new ATOM 0 HD3 LYS A 88 17.350 -3.580 -9.931 1.00 73.13 H new ATOM 0 HE2 LYS A 88 19.523 -4.105 -10.823 1.00 11.13 H new ATOM 0 HE3 LYS A 88 19.564 -2.640 -11.785 1.00 11.13 H new ATOM 0 HZ1 LYS A 88 20.925 -2.429 -9.810 1.00 30.44 H new ATOM 0 HZ2 LYS A 88 19.630 -1.332 -9.742 1.00 30.44 H new ATOM 0 HZ3 LYS A 88 19.591 -2.751 -8.810 1.00 30.44 H new ATOM 1359 N ILE A 89 15.731 -7.595 -13.238 1.00 4.34 N ATOM 1360 CA ILE A 89 14.932 -8.814 -13.236 1.00 61.10 C ATOM 1361 C ILE A 89 15.764 -10.016 -13.672 1.00 40.34 C ATOM 1362 O ILE A 89 16.311 -10.036 -14.774 1.00 73.31 O ATOM 1363 CB ILE A 89 13.709 -8.687 -14.162 1.00 34.53 C ATOM 1364 CG1 ILE A 89 13.023 -7.335 -13.955 1.00 63.53 C ATOM 1365 CG2 ILE A 89 12.732 -9.827 -13.909 1.00 22.12 C ATOM 1366 CD1 ILE A 89 11.851 -7.102 -14.884 1.00 63.11 C ATOM 0 H ILE A 89 15.699 -7.071 -14.112 1.00 4.34 H new ATOM 0 HA ILE A 89 14.588 -8.965 -12.213 1.00 61.10 H new ATOM 0 HB ILE A 89 14.047 -8.747 -15.196 1.00 34.53 H new ATOM 0 HG12 ILE A 89 12.678 -7.266 -12.923 1.00 63.53 H new ATOM 0 HG13 ILE A 89 13.754 -6.540 -14.100 1.00 63.53 H new ATOM 0 HG21 ILE A 89 11.873 -9.723 -14.571 1.00 22.12 H new ATOM 0 HG22 ILE A 89 13.226 -10.779 -14.102 1.00 22.12 H new ATOM 0 HG23 ILE A 89 12.397 -9.796 -12.872 1.00 22.12 H new ATOM 0 HD11 ILE A 89 11.414 -6.124 -14.680 1.00 63.11 H new ATOM 0 HD12 ILE A 89 12.194 -7.138 -15.918 1.00 63.11 H new ATOM 0 HD13 ILE A 89 11.100 -7.876 -14.724 1.00 63.11 H new ATOM 1378 N GLU A 90 15.852 -11.015 -12.800 1.00 44.31 N ATOM 1379 CA GLU A 90 16.616 -12.221 -13.097 1.00 3.44 C ATOM 1380 C GLU A 90 15.696 -13.350 -13.555 1.00 63.21 C ATOM 1381 O GLU A 90 14.558 -13.463 -13.097 1.00 12.42 O ATOM 1382 CB GLU A 90 17.411 -12.664 -11.867 1.00 21.54 C ATOM 1383 CG GLU A 90 18.913 -12.494 -12.020 1.00 21.32 C ATOM 1384 CD GLU A 90 19.675 -13.777 -11.747 1.00 53.14 C ATOM 1385 OE1 GLU A 90 19.898 -14.091 -10.559 1.00 2.24 O ATOM 1386 OE2 GLU A 90 20.048 -14.465 -12.719 1.00 73.11 O1- ATOM 0 H GLU A 90 15.404 -11.013 -11.883 1.00 44.31 H new ATOM 0 HA GLU A 90 17.310 -11.990 -13.906 1.00 3.44 H new ATOM 0 HB2 GLU A 90 17.075 -12.092 -11.002 1.00 21.54 H new ATOM 0 HB3 GLU A 90 17.191 -13.712 -11.661 1.00 21.54 H new ATOM 0 HG2 GLU A 90 19.135 -12.152 -13.031 1.00 21.32 H new ATOM 0 HG3 GLU A 90 19.259 -11.718 -11.337 1.00 21.32 H new ATOM 1393 N LEU A 91 16.196 -14.181 -14.462 1.00 41.35 N ATOM 1394 CA LEU A 91 15.420 -15.302 -14.983 1.00 12.31 C ATOM 1395 C LEU A 91 16.254 -16.579 -15.005 1.00 71.23 C ATOM 1396 O LEU A 91 17.414 -16.568 -15.417 1.00 24.34 O ATOM 1397 CB LEU A 91 14.914 -14.985 -16.391 1.00 34.35 C ATOM 1398 CG LEU A 91 15.953 -14.439 -17.371 1.00 43.14 C ATOM 1399 CD1 LEU A 91 16.552 -15.567 -18.197 1.00 21.14 C ATOM 1400 CD2 LEU A 91 15.330 -13.385 -18.276 1.00 15.23 C ATOM 0 H LEU A 91 17.135 -14.100 -14.852 1.00 41.35 H new ATOM 0 HA LEU A 91 14.567 -15.460 -14.323 1.00 12.31 H new ATOM 0 HB2 LEU A 91 14.487 -15.894 -16.815 1.00 34.35 H new ATOM 0 HB3 LEU A 91 14.104 -14.260 -16.310 1.00 34.35 H new ATOM 0 HG LEU A 91 16.754 -13.971 -16.799 1.00 43.14 H new ATOM 0 HD11 LEU A 91 17.289 -15.160 -18.889 1.00 21.14 H new ATOM 0 HD12 LEU A 91 17.034 -16.286 -17.535 1.00 21.14 H new ATOM 0 HD13 LEU A 91 15.762 -16.065 -18.760 1.00 21.14 H new ATOM 0 HD21 LEU A 91 16.084 -13.007 -18.967 1.00 15.23 H new ATOM 0 HD22 LEU A 91 14.510 -13.829 -18.841 1.00 15.23 H new ATOM 0 HD23 LEU A 91 14.950 -12.563 -17.669 1.00 15.23 H new ATOM 1412 N SER A 92 15.655 -17.679 -14.560 1.00 62.30 N ATOM 1413 CA SER A 92 16.343 -18.964 -14.526 1.00 12.01 C ATOM 1414 C SER A 92 15.484 -20.056 -15.157 1.00 53.43 C ATOM 1415 O SER A 92 14.456 -20.448 -14.607 1.00 42.11 O ATOM 1416 CB SER A 92 16.692 -19.342 -13.086 1.00 32.04 C ATOM 1417 OG SER A 92 16.292 -18.328 -12.181 1.00 24.24 O ATOM 0 H SER A 92 14.694 -17.706 -14.218 1.00 62.30 H new ATOM 0 HA SER A 92 17.264 -18.871 -15.102 1.00 12.01 H new ATOM 0 HB2 SER A 92 16.203 -20.281 -12.825 1.00 32.04 H new ATOM 0 HB3 SER A 92 17.766 -19.507 -13.000 1.00 32.04 H new ATOM 0 HG SER A 92 16.525 -18.595 -11.267 1.00 24.24 H new ATOM 1423 N GLY A 93 15.915 -20.543 -16.318 1.00 72.14 N ATOM 1424 CA GLY A 93 15.174 -21.585 -17.005 1.00 41.14 C ATOM 1425 C GLY A 93 14.920 -21.251 -18.461 1.00 52.41 C ATOM 1426 O GLY A 93 15.702 -21.621 -19.336 1.00 72.03 O ATOM 0 H GLY A 93 16.763 -20.235 -16.794 1.00 72.14 H new ATOM 0 HA2 GLY A 93 15.727 -22.522 -16.941 1.00 41.14 H new ATOM 0 HA3 GLY A 93 14.221 -21.742 -16.500 1.00 41.14 H new ATOM 1430 N ASP A 94 13.821 -20.550 -18.722 1.00 50.01 N ATOM 1431 CA ASP A 94 13.465 -20.166 -20.083 1.00 42.00 C ATOM 1432 C ASP A 94 13.146 -18.676 -20.161 1.00 61.22 C ATOM 1433 O ASP A 94 12.014 -18.260 -19.911 1.00 24.31 O ATOM 1434 CB ASP A 94 12.267 -20.983 -20.569 1.00 44.20 C ATOM 1435 CG ASP A 94 12.559 -21.729 -21.856 1.00 62.13 C ATOM 1436 OD1 ASP A 94 11.730 -21.653 -22.787 1.00 22.23 O ATOM 1437 OD2 ASP A 94 13.617 -22.387 -21.933 1.00 42.01 O1- ATOM 0 H ASP A 94 13.162 -20.237 -18.009 1.00 50.01 H new ATOM 0 HA ASP A 94 14.320 -20.370 -20.728 1.00 42.00 H new ATOM 0 HB2 ASP A 94 11.980 -21.696 -19.796 1.00 44.20 H new ATOM 0 HB3 ASP A 94 11.416 -20.319 -20.722 1.00 44.20 H new ATOM 1442 N ALA A 95 14.149 -17.878 -20.509 1.00 52.22 N ATOM 1443 CA ALA A 95 13.975 -16.435 -20.621 1.00 61.03 C ATOM 1444 C ALA A 95 12.820 -16.093 -21.555 1.00 63.24 C ATOM 1445 O ALA A 95 12.190 -15.044 -21.420 1.00 24.01 O ATOM 1446 CB ALA A 95 15.261 -15.785 -21.107 1.00 22.22 C ATOM 0 H ALA A 95 15.092 -18.206 -20.719 1.00 52.22 H new ATOM 0 HA ALA A 95 13.735 -16.044 -19.632 1.00 61.03 H new ATOM 0 HB1 ALA A 95 15.117 -14.707 -21.186 1.00 22.22 H new ATOM 0 HB2 ALA A 95 16.064 -15.993 -20.399 1.00 22.22 H new ATOM 0 HB3 ALA A 95 15.526 -16.188 -22.084 1.00 22.22 H new ATOM 1452 N ASP A 96 12.548 -16.983 -22.503 1.00 31.21 N ATOM 1453 CA ASP A 96 11.469 -16.774 -23.460 1.00 63.04 C ATOM 1454 C ASP A 96 10.113 -16.783 -22.760 1.00 71.11 C ATOM 1455 O ASP A 96 9.237 -15.975 -23.072 1.00 42.54 O ATOM 1456 CB ASP A 96 11.503 -17.854 -24.544 1.00 13.52 C ATOM 1457 CG ASP A 96 11.140 -17.312 -25.912 1.00 14.13 C ATOM 1458 OD1 ASP A 96 12.053 -17.155 -26.750 1.00 42.02 O ATOM 1459 OD2 ASP A 96 9.943 -17.046 -26.146 1.00 51.14 O1- ATOM 0 H ASP A 96 13.060 -17.856 -22.629 1.00 31.21 H new ATOM 0 HA ASP A 96 11.613 -15.798 -23.925 1.00 63.04 H new ATOM 0 HB2 ASP A 96 12.499 -18.294 -24.583 1.00 13.52 H new ATOM 0 HB3 ASP A 96 10.812 -18.654 -24.278 1.00 13.52 H new ATOM 1464 N LEU A 97 9.947 -17.699 -21.814 1.00 21.24 N ATOM 1465 CA LEU A 97 8.697 -17.814 -21.070 1.00 53.03 C ATOM 1466 C LEU A 97 8.435 -16.555 -20.249 1.00 34.03 C ATOM 1467 O LEU A 97 7.342 -15.990 -20.291 1.00 22.40 O ATOM 1468 CB LEU A 97 8.737 -19.036 -20.152 1.00 23.04 C ATOM 1469 CG LEU A 97 7.816 -20.195 -20.536 1.00 32.22 C ATOM 1470 CD1 LEU A 97 7.983 -21.354 -19.565 1.00 33.50 C ATOM 1471 CD2 LEU A 97 6.367 -19.733 -20.574 1.00 13.34 C ATOM 0 H LEU A 97 10.662 -18.374 -21.543 1.00 21.24 H new ATOM 0 HA LEU A 97 7.885 -17.934 -21.788 1.00 53.03 H new ATOM 0 HB2 LEU A 97 9.761 -19.408 -20.120 1.00 23.04 H new ATOM 0 HB3 LEU A 97 8.482 -18.715 -19.142 1.00 23.04 H new ATOM 0 HG LEU A 97 8.093 -20.540 -21.532 1.00 32.22 H new ATOM 0 HD11 LEU A 97 7.320 -22.169 -19.854 1.00 33.50 H new ATOM 0 HD12 LEU A 97 9.016 -21.701 -19.587 1.00 33.50 H new ATOM 0 HD13 LEU A 97 7.733 -21.023 -18.557 1.00 33.50 H new ATOM 0 HD21 LEU A 97 5.725 -20.570 -20.849 1.00 13.34 H new ATOM 0 HD22 LEU A 97 6.078 -19.362 -19.591 1.00 13.34 H new ATOM 0 HD23 LEU A 97 6.258 -18.936 -21.309 1.00 13.34 H new ATOM 1483 N ALA A 98 9.447 -16.119 -19.504 1.00 51.02 N ATOM 1484 CA ALA A 98 9.328 -14.925 -18.677 1.00 72.21 C ATOM 1485 C ALA A 98 9.215 -13.671 -19.537 1.00 74.34 C ATOM 1486 O ALA A 98 8.313 -12.856 -19.348 1.00 70.15 O ATOM 1487 CB ALA A 98 10.516 -14.817 -17.733 1.00 43.44 C ATOM 0 H ALA A 98 10.358 -16.576 -19.457 1.00 51.02 H new ATOM 0 HA ALA A 98 8.416 -15.011 -18.086 1.00 72.21 H new ATOM 0 HB1 ALA A 98 10.414 -13.921 -17.121 1.00 43.44 H new ATOM 0 HB2 ALA A 98 10.549 -15.695 -17.088 1.00 43.44 H new ATOM 0 HB3 ALA A 98 11.437 -14.758 -18.313 1.00 43.44 H new ATOM 1493 N ALA A 99 10.139 -13.522 -20.481 1.00 41.25 N ATOM 1494 CA ALA A 99 10.143 -12.367 -21.371 1.00 41.24 C ATOM 1495 C ALA A 99 8.768 -12.148 -21.991 1.00 64.45 C ATOM 1496 O ALA A 99 8.292 -11.017 -22.091 1.00 63.22 O ATOM 1497 CB ALA A 99 11.193 -12.542 -22.458 1.00 14.33 C ATOM 0 H ALA A 99 10.894 -14.187 -20.649 1.00 41.25 H new ATOM 0 HA ALA A 99 10.391 -11.485 -20.781 1.00 41.24 H new ATOM 0 HB1 ALA A 99 11.185 -11.672 -23.115 1.00 14.33 H new ATOM 0 HB2 ALA A 99 12.177 -12.642 -22.000 1.00 14.33 H new ATOM 0 HB3 ALA A 99 10.970 -13.437 -23.038 1.00 14.33 H new ATOM 1503 N LYS A 100 8.132 -13.237 -22.410 1.00 1.23 N ATOM 1504 CA LYS A 100 6.810 -13.165 -23.021 1.00 72.44 C ATOM 1505 C LYS A 100 5.840 -12.394 -22.132 1.00 13.34 C ATOM 1506 O LYS A 100 5.165 -11.469 -22.586 1.00 61.21 O ATOM 1507 CB LYS A 100 6.269 -14.572 -23.283 1.00 31.43 C ATOM 1508 CG LYS A 100 4.858 -14.587 -23.846 1.00 4.53 C ATOM 1509 CD LYS A 100 4.805 -15.275 -25.199 1.00 22.41 C ATOM 1510 CE LYS A 100 3.403 -15.238 -25.788 1.00 35.11 C ATOM 1511 NZ LYS A 100 3.132 -13.956 -26.494 1.00 40.13 N1+ ATOM 0 H LYS A 100 8.511 -14.181 -22.337 1.00 1.23 H new ATOM 0 HA LYS A 100 6.905 -12.636 -23.969 1.00 72.44 H new ATOM 0 HB2 LYS A 100 6.934 -15.084 -23.979 1.00 31.43 H new ATOM 0 HB3 LYS A 100 6.285 -15.138 -22.351 1.00 31.43 H new ATOM 0 HG2 LYS A 100 4.193 -15.099 -23.150 1.00 4.53 H new ATOM 0 HG3 LYS A 100 4.493 -13.565 -23.942 1.00 4.53 H new ATOM 0 HD2 LYS A 100 5.501 -14.789 -25.883 1.00 22.41 H new ATOM 0 HD3 LYS A 100 5.130 -16.310 -25.095 1.00 22.41 H new ATOM 0 HE2 LYS A 100 3.279 -16.069 -26.483 1.00 35.11 H new ATOM 0 HE3 LYS A 100 2.671 -15.376 -24.992 1.00 35.11 H new ATOM 0 HZ1 LYS A 100 2.167 -13.970 -26.881 1.00 40.13 H new ATOM 0 HZ2 LYS A 100 3.225 -13.165 -25.825 1.00 40.13 H new ATOM 0 HZ3 LYS A 100 3.814 -13.836 -27.270 1.00 40.13 H new ATOM 1525 N LEU A 101 5.776 -12.778 -20.862 1.00 12.30 N ATOM 1526 CA LEU A 101 4.890 -12.122 -19.907 1.00 3.23 C ATOM 1527 C LEU A 101 5.146 -10.618 -19.871 1.00 62.45 C ATOM 1528 O LEU A 101 4.210 -9.821 -19.816 1.00 14.21 O ATOM 1529 CB LEU A 101 5.082 -12.716 -18.510 1.00 62.20 C ATOM 1530 CG LEU A 101 3.878 -13.455 -17.924 1.00 45.40 C ATOM 1531 CD1 LEU A 101 2.786 -12.472 -17.534 1.00 50.44 C ATOM 1532 CD2 LEU A 101 3.348 -14.479 -18.916 1.00 34.24 C ATOM 0 H LEU A 101 6.328 -13.541 -20.469 1.00 12.30 H new ATOM 0 HA LEU A 101 3.862 -12.290 -20.229 1.00 3.23 H new ATOM 0 HB2 LEU A 101 5.926 -13.406 -18.543 1.00 62.20 H new ATOM 0 HB3 LEU A 101 5.355 -11.910 -17.829 1.00 62.20 H new ATOM 0 HG LEU A 101 4.200 -13.982 -17.026 1.00 45.40 H new ATOM 0 HD11 LEU A 101 1.938 -13.016 -17.119 1.00 50.44 H new ATOM 0 HD12 LEU A 101 3.171 -11.777 -16.788 1.00 50.44 H new ATOM 0 HD13 LEU A 101 2.465 -11.917 -18.415 1.00 50.44 H new ATOM 0 HD21 LEU A 101 2.492 -14.996 -18.483 1.00 34.24 H new ATOM 0 HD22 LEU A 101 3.042 -13.974 -19.832 1.00 34.24 H new ATOM 0 HD23 LEU A 101 4.130 -15.203 -19.145 1.00 34.24 H new ATOM 1544 N ALA A 102 6.419 -10.239 -19.906 1.00 31.42 N ATOM 1545 CA ALA A 102 6.798 -8.832 -19.883 1.00 1.32 C ATOM 1546 C ALA A 102 6.100 -8.057 -20.996 1.00 62.44 C ATOM 1547 O ALA A 102 5.821 -6.867 -20.854 1.00 20.35 O ATOM 1548 CB ALA A 102 8.308 -8.689 -20.004 1.00 64.24 C ATOM 0 H ALA A 102 7.205 -10.887 -19.950 1.00 31.42 H new ATOM 0 HA ALA A 102 6.480 -8.412 -18.929 1.00 1.32 H new ATOM 0 HB1 ALA A 102 8.576 -7.633 -19.985 1.00 64.24 H new ATOM 0 HB2 ALA A 102 8.790 -9.200 -19.171 1.00 64.24 H new ATOM 0 HB3 ALA A 102 8.641 -9.131 -20.943 1.00 64.24 H new ATOM 1554 N GLU A 103 5.823 -8.740 -22.101 1.00 45.13 N ATOM 1555 CA GLU A 103 5.159 -8.113 -23.239 1.00 0.13 C ATOM 1556 C GLU A 103 3.686 -7.855 -22.934 1.00 54.13 C ATOM 1557 O GLU A 103 3.231 -6.710 -22.940 1.00 43.44 O ATOM 1558 CB GLU A 103 5.288 -8.996 -24.482 1.00 65.34 C ATOM 1559 CG GLU A 103 5.327 -8.214 -25.783 1.00 71.40 C ATOM 1560 CD GLU A 103 3.952 -8.032 -26.397 1.00 43.23 C ATOM 1561 OE1 GLU A 103 3.591 -8.829 -27.289 1.00 35.33 O ATOM 1562 OE2 GLU A 103 3.238 -7.093 -25.987 1.00 44.42 O1- ATOM 0 H GLU A 103 6.047 -9.726 -22.233 1.00 45.13 H new ATOM 0 HA GLU A 103 5.645 -7.156 -23.430 1.00 0.13 H new ATOM 0 HB2 GLU A 103 6.196 -9.594 -24.400 1.00 65.34 H new ATOM 0 HB3 GLU A 103 4.450 -9.692 -24.511 1.00 65.34 H new ATOM 0 HG2 GLU A 103 5.772 -7.236 -25.601 1.00 71.40 H new ATOM 0 HG3 GLU A 103 5.972 -8.730 -26.494 1.00 71.40 H new ATOM 1569 N VAL A 104 2.946 -8.926 -22.670 1.00 33.41 N ATOM 1570 CA VAL A 104 1.524 -8.817 -22.364 1.00 23.33 C ATOM 1571 C VAL A 104 1.282 -7.824 -21.232 1.00 20.50 C ATOM 1572 O VAL A 104 0.207 -7.233 -21.131 1.00 4.15 O ATOM 1573 CB VAL A 104 0.928 -10.181 -21.971 1.00 33.51 C ATOM 1574 CG1 VAL A 104 0.740 -11.055 -23.203 1.00 74.10 C ATOM 1575 CG2 VAL A 104 1.812 -10.874 -20.946 1.00 43.11 C ATOM 0 H VAL A 104 3.307 -9.880 -22.662 1.00 33.41 H new ATOM 0 HA VAL A 104 1.031 -8.461 -23.269 1.00 23.33 H new ATOM 0 HB VAL A 104 -0.050 -10.014 -21.519 1.00 33.51 H new ATOM 0 HG11 VAL A 104 0.318 -12.015 -22.907 1.00 74.10 H new ATOM 0 HG12 VAL A 104 0.063 -10.561 -23.900 1.00 74.10 H new ATOM 0 HG13 VAL A 104 1.704 -11.216 -23.686 1.00 74.10 H new ATOM 0 HG21 VAL A 104 1.375 -11.837 -20.680 1.00 43.11 H new ATOM 0 HG22 VAL A 104 2.805 -11.030 -21.368 1.00 43.11 H new ATOM 0 HG23 VAL A 104 1.891 -10.253 -20.054 1.00 43.11 H new ATOM 1585 N ILE A 105 2.289 -7.645 -20.383 1.00 64.50 N ATOM 1586 CA ILE A 105 2.185 -6.723 -19.260 1.00 64.45 C ATOM 1587 C ILE A 105 2.212 -5.274 -19.733 1.00 25.40 C ATOM 1588 O ILE A 105 1.333 -4.481 -19.393 1.00 74.01 O ATOM 1589 CB ILE A 105 3.323 -6.941 -18.246 1.00 25.25 C ATOM 1590 CG1 ILE A 105 3.127 -8.264 -17.503 1.00 71.41 C ATOM 1591 CG2 ILE A 105 3.387 -5.780 -17.264 1.00 10.31 C ATOM 1592 CD1 ILE A 105 4.383 -8.771 -16.830 1.00 20.20 C ATOM 0 H ILE A 105 3.186 -8.127 -20.452 1.00 64.50 H new ATOM 0 HA ILE A 105 1.231 -6.926 -18.773 1.00 64.45 H new ATOM 0 HB ILE A 105 4.268 -6.986 -18.787 1.00 25.25 H new ATOM 0 HG12 ILE A 105 2.348 -8.137 -16.751 1.00 71.41 H new ATOM 0 HG13 ILE A 105 2.772 -9.017 -18.206 1.00 71.41 H new ATOM 0 HG21 ILE A 105 4.196 -5.949 -16.554 1.00 10.31 H new ATOM 0 HG22 ILE A 105 3.569 -4.853 -17.808 1.00 10.31 H new ATOM 0 HG23 ILE A 105 2.442 -5.706 -16.726 1.00 10.31 H new ATOM 0 HD11 ILE A 105 4.170 -9.712 -16.323 1.00 20.20 H new ATOM 0 HD12 ILE A 105 5.158 -8.930 -17.579 1.00 20.20 H new ATOM 0 HD13 ILE A 105 4.727 -8.037 -16.102 1.00 20.20 H new ATOM 1604 N HIS A 106 3.226 -4.934 -20.523 1.00 4.44 N ATOM 1605 CA HIS A 106 3.367 -3.580 -21.046 1.00 52.41 C ATOM 1606 C HIS A 106 3.298 -2.552 -19.921 1.00 72.24 C ATOM 1607 O HIS A 106 3.333 -2.905 -18.742 1.00 4.11 O ATOM 1608 CB HIS A 106 2.277 -3.295 -22.080 1.00 33.32 C ATOM 1609 CG HIS A 106 2.803 -2.732 -23.365 1.00 62.22 C ATOM 1610 ND1 HIS A 106 3.291 -3.519 -24.387 1.00 53.42 N ATOM 1611 CD2 HIS A 106 2.915 -1.452 -23.792 1.00 33.43 C ATOM 1612 CE1 HIS A 106 3.681 -2.747 -25.386 1.00 21.21 C ATOM 1613 NE2 HIS A 106 3.464 -1.489 -25.050 1.00 23.34 N ATOM 0 H HIS A 106 3.962 -5.578 -20.815 1.00 4.44 H new ATOM 0 HA HIS A 106 4.343 -3.502 -21.525 1.00 52.41 H new ATOM 0 HB2 HIS A 106 1.738 -4.218 -22.291 1.00 33.32 H new ATOM 0 HB3 HIS A 106 1.557 -2.596 -21.654 1.00 33.32 H new ATOM 0 HD2 HIS A 106 2.626 -0.567 -23.245 1.00 33.43 H new ATOM 0 HE1 HIS A 106 4.105 -3.087 -26.319 1.00 21.21 H new ATOM 0 HE2 HIS A 106 3.671 -0.676 -25.631 1.00 23.34 H new ATOM 1621 N HIS A 107 3.202 -1.280 -20.292 1.00 10.53 N ATOM 1622 CA HIS A 107 3.128 -0.201 -19.315 1.00 31.12 C ATOM 1623 C HIS A 107 1.714 -0.068 -18.757 1.00 63.22 C ATOM 1624 O HIS A 107 1.516 -0.018 -17.542 1.00 44.22 O ATOM 1625 CB HIS A 107 3.565 1.121 -19.947 1.00 2.41 C ATOM 1626 CG HIS A 107 3.576 2.270 -18.987 1.00 35.31 C ATOM 1627 ND1 HIS A 107 3.702 2.110 -17.623 1.00 74.24 N ATOM 1628 CD2 HIS A 107 3.477 3.603 -19.200 1.00 40.51 C ATOM 1629 CE1 HIS A 107 3.678 3.295 -17.039 1.00 60.13 C ATOM 1630 NE2 HIS A 107 3.543 4.218 -17.975 1.00 32.02 N ATOM 0 H HIS A 107 3.174 -0.971 -21.264 1.00 10.53 H new ATOM 0 HA HIS A 107 3.803 -0.443 -18.494 1.00 31.12 H new ATOM 0 HB2 HIS A 107 4.563 1.000 -20.368 1.00 2.41 H new ATOM 0 HB3 HIS A 107 2.896 1.357 -20.775 1.00 2.41 H new ATOM 0 HD2 HIS A 107 3.367 4.092 -20.157 1.00 40.51 H new ATOM 0 HE1 HIS A 107 3.756 3.478 -15.977 1.00 60.13 H new ATOM 0 HE2 HIS A 107 3.496 5.224 -17.813 1.00 32.02 H new ATOM 1638 N HIS A 108 0.733 -0.010 -19.652 1.00 45.32 N ATOM 1639 CA HIS A 108 -0.663 0.117 -19.250 1.00 4.03 C ATOM 1640 C HIS A 108 -1.033 -0.953 -18.228 1.00 72.22 C ATOM 1641 O HIS A 108 -0.386 -1.998 -18.145 1.00 3.23 O ATOM 1642 CB HIS A 108 -1.579 0.014 -20.469 1.00 41.24 C ATOM 1643 CG HIS A 108 -2.190 1.320 -20.872 1.00 54.24 C ATOM 1644 ND1 HIS A 108 -1.453 2.375 -21.368 1.00 72.21 N ATOM 1645 CD2 HIS A 108 -3.477 1.739 -20.852 1.00 62.05 C ATOM 1646 CE1 HIS A 108 -2.260 3.387 -21.634 1.00 12.10 C ATOM 1647 NE2 HIS A 108 -3.494 3.026 -21.329 1.00 53.45 N ATOM 0 H HIS A 108 0.879 -0.049 -20.661 1.00 45.32 H new ATOM 0 HA HIS A 108 -0.795 1.096 -18.789 1.00 4.03 H new ATOM 0 HB2 HIS A 108 -1.009 -0.385 -21.308 1.00 41.24 H new ATOM 0 HB3 HIS A 108 -2.375 -0.699 -20.256 1.00 41.24 H new ATOM 0 HD2 HIS A 108 -4.332 1.167 -20.522 1.00 62.05 H new ATOM 0 HE1 HIS A 108 -1.962 4.345 -22.033 1.00 12.10 H new ATOM 0 HE2 HIS A 108 -4.325 3.609 -21.431 1.00 53.45 H new ATOM 1655 N HIS A 109 -2.079 -0.687 -17.451 1.00 52.35 N ATOM 1656 CA HIS A 109 -2.535 -1.628 -16.435 1.00 11.14 C ATOM 1657 C HIS A 109 -4.001 -1.994 -16.651 1.00 61.53 C ATOM 1658 O HIS A 109 -4.644 -1.500 -17.577 1.00 23.40 O ATOM 1659 CB HIS A 109 -2.347 -1.033 -15.038 1.00 3.42 C ATOM 1660 CG HIS A 109 -1.124 -1.534 -14.334 1.00 63.42 C ATOM 1661 ND1 HIS A 109 -1.022 -1.607 -12.961 1.00 45.04 N ATOM 1662 CD2 HIS A 109 0.054 -1.988 -14.822 1.00 32.11 C ATOM 1663 CE1 HIS A 109 0.165 -2.084 -12.634 1.00 34.32 C ATOM 1664 NE2 HIS A 109 0.839 -2.323 -13.745 1.00 11.45 N ATOM 0 H HIS A 109 -2.626 0.172 -17.506 1.00 52.35 H new ATOM 0 HA HIS A 109 -1.936 -2.535 -16.520 1.00 11.14 H new ATOM 0 HB2 HIS A 109 -2.291 0.053 -15.119 1.00 3.42 H new ATOM 0 HB3 HIS A 109 -3.224 -1.263 -14.433 1.00 3.42 H new ATOM 0 HD1 HIS A 109 -1.750 -1.335 -12.301 1.00 45.04 H new ATOM 0 HD2 HIS A 109 0.326 -2.071 -15.864 1.00 32.11 H new ATOM 0 HE1 HIS A 109 0.524 -2.251 -11.629 1.00 34.32 H new ATOM 1672 N HIS A 110 -4.522 -2.863 -15.792 1.00 63.25 N ATOM 1673 CA HIS A 110 -5.912 -3.295 -15.889 1.00 60.44 C ATOM 1674 C HIS A 110 -6.700 -2.876 -14.652 1.00 41.24 C ATOM 1675 O HIS A 110 -7.640 -2.086 -14.740 1.00 3.33 O ATOM 1676 CB HIS A 110 -5.985 -4.812 -16.065 1.00 25.35 C ATOM 1677 CG HIS A 110 -7.297 -5.290 -16.609 1.00 31.33 C ATOM 1678 ND1 HIS A 110 -8.160 -6.093 -15.895 1.00 3.51 N ATOM 1679 CD2 HIS A 110 -7.890 -5.071 -17.805 1.00 15.11 C ATOM 1680 CE1 HIS A 110 -9.228 -6.349 -16.629 1.00 32.02 C ATOM 1681 NE2 HIS A 110 -9.089 -5.741 -17.794 1.00 44.22 N ATOM 0 H HIS A 110 -4.003 -3.282 -15.021 1.00 63.25 H new ATOM 0 HA HIS A 110 -6.356 -2.813 -16.760 1.00 60.44 H new ATOM 0 HB2 HIS A 110 -5.186 -5.131 -16.734 1.00 25.35 H new ATOM 0 HB3 HIS A 110 -5.804 -5.290 -15.102 1.00 25.35 H new ATOM 0 HD2 HIS A 110 -7.494 -4.479 -18.617 1.00 15.11 H new ATOM 0 HE1 HIS A 110 -10.071 -6.953 -16.328 1.00 32.02 H new ATOM 0 HE2 HIS A 110 -9.762 -5.765 -18.560 1.00 44.22 H new ATOM 1689 N HIS A 111 -6.311 -3.410 -13.498 1.00 71.21 N ATOM 1690 CA HIS A 111 -6.981 -3.091 -12.243 1.00 52.02 C ATOM 1691 C HIS A 111 -5.994 -3.116 -11.079 1.00 34.54 C ATOM 1692 O HIS A 111 -4.982 -2.420 -11.133 1.00 65.33 O ATOM 1693 CB HIS A 111 -8.119 -4.079 -11.983 1.00 34.45 C ATOM 1694 CG HIS A 111 -9.174 -3.547 -11.062 1.00 61.54 C ATOM 1695 ND1 HIS A 111 -9.475 -4.125 -9.848 1.00 13.21 N ATOM 1696 CD2 HIS A 111 -10.001 -2.482 -11.185 1.00 3.44 C ATOM 1697 CE1 HIS A 111 -10.441 -3.440 -9.263 1.00 13.33 C ATOM 1698 NE2 HIS A 111 -10.779 -2.438 -10.055 1.00 25.24 N ATOM 0 H HIS A 111 -5.535 -4.066 -13.407 1.00 71.21 H new ATOM 0 HA HIS A 111 -7.394 -2.086 -12.325 1.00 52.02 H new ATOM 0 HB2 HIS A 111 -8.580 -4.348 -12.933 1.00 34.45 H new ATOM 0 HB3 HIS A 111 -7.705 -4.994 -11.559 1.00 34.45 H new ATOM 0 HD2 HIS A 111 -10.041 -1.795 -12.017 1.00 3.44 H new ATOM 0 HE1 HIS A 111 -10.880 -3.661 -8.301 1.00 13.33 H new ATOM 0 HE2 HIS A 111 -11.501 -1.744 -9.859 1.00 25.24 H new TER 1706 HIS A 111 HETATM 1707 C1 PLM A 201 -1.720 -16.821 -19.450 1.00 11.25 C HETATM 1708 O1 PLM A 201 -0.673 -16.579 -18.611 1.00 30.44 O HETATM 1709 O2 PLM A 201 -2.598 -17.643 -19.211 1.00 43.03 O HETATM 1710 C2 PLM A 201 -1.683 -15.955 -20.737 1.00 21.42 C HETATM 1711 C3 PLM A 201 -1.992 -14.457 -20.384 1.00 43.24 C HETATM 1712 C4 PLM A 201 -0.918 -13.757 -19.520 1.00 40.30 C HETATM 1713 C5 PLM A 201 -1.535 -12.981 -18.341 1.00 45.00 C HETATM 1714 C6 PLM A 201 -1.518 -13.800 -17.036 1.00 34.21 C HETATM 1715 C7 PLM A 201 -0.342 -13.413 -16.118 1.00 23.23 C HETATM 1716 C8 PLM A 201 -0.182 -11.885 -15.991 1.00 50.35 C HETATM 1717 C9 PLM A 201 0.366 -11.467 -14.612 1.00 13.45 C HETATM 1718 CA PLM A 201 1.600 -12.269 -14.149 1.00 44.10 C HETATM 1719 CB PLM A 201 2.797 -11.318 -13.950 1.00 71.52 C HETATM 1720 CC PLM A 201 4.009 -12.238 -13.281 1.00 61.21 C HETATM 1721 CD PLM A 201 4.330 -11.766 -11.850 1.00 62.02 C HETATM 1722 CE PLM A 201 5.683 -12.306 -11.347 1.00 10.40 C HETATM 1723 CF PLM A 201 6.318 -13.297 -12.340 1.00 25.23 C HETATM 1724 CG PLM A 201 7.087 -14.412 -11.621 1.00 45.31 C HETATM 0 HG3 PLM A 201 7.883 -13.975 -11.019 1.00 45.31 H new HETATM 0 HG2 PLM A 201 6.406 -14.966 -10.975 1.00 45.31 H new HETATM 0 HG1 PLM A 201 7.519 -15.089 -12.358 1.00 45.31 H new HETATM 0 HF2 PLM A 201 5.539 -13.736 -12.963 1.00 25.23 H new HETATM 0 HF1 PLM A 201 6.994 -12.761 -13.006 1.00 25.23 H new HETATM 0 HE2 PLM A 201 6.366 -11.473 -11.181 1.00 10.40 H new HETATM 0 HE1 PLM A 201 5.541 -12.799 -10.385 1.00 10.40 H new HETATM 0 HD2 PLM A 201 4.343 -10.676 -11.823 1.00 62.02 H new HETATM 0 HD1 PLM A 201 3.538 -12.092 -11.176 1.00 62.02 H new HETATM 0 HC2 PLM A 201 3.709 -13.286 -13.264 1.00 61.21 H new HETATM 0 HC1 PLM A 201 4.904 -12.173 -13.899 1.00 61.21 H new HETATM 0 HB2 PLM A 201 3.114 -10.886 -14.899 1.00 71.52 H new HETATM 0 HB1 PLM A 201 2.531 -10.488 -13.295 1.00 71.52 H new HETATM 0 HA2 PLM A 201 1.378 -12.789 -13.217 1.00 44.10 H new HETATM 0 HA1 PLM A 201 1.848 -13.031 -14.888 1.00 44.10 H new HETATM 0 H92 PLM A 201 0.626 -10.409 -14.643 1.00 13.45 H new HETATM 0 H91 PLM A 201 -0.425 -11.580 -13.870 1.00 13.45 H new HETATM 0 H82 PLM A 201 0.490 -11.526 -16.771 1.00 50.35 H new HETATM 0 H81 PLM A 201 -1.147 -11.406 -16.157 1.00 50.35 H new HETATM 0 H72 PLM A 201 -0.498 -13.844 -15.129 1.00 23.23 H new HETATM 0 H71 PLM A 201 0.580 -13.842 -16.511 1.00 23.23 H new HETATM 0 H62 PLM A 201 -2.457 -13.650 -16.503 1.00 34.21 H new HETATM 0 H61 PLM A 201 -1.454 -14.861 -17.276 1.00 34.21 H new HETATM 0 H52 PLM A 201 -0.986 -12.051 -18.192 1.00 45.00 H new HETATM 0 H51 PLM A 201 -2.562 -12.709 -18.584 1.00 45.00 H new HETATM 0 H42 PLM A 201 -0.220 -14.502 -19.137 1.00 40.30 H new HETATM 0 H41 PLM A 201 -0.343 -13.072 -20.143 1.00 40.30 H new HETATM 0 H32 PLM A 201 -2.112 -13.898 -21.312 1.00 43.24 H new HETATM 0 H31 PLM A 201 -2.946 -14.412 -19.859 1.00 43.24 H new HETATM 0 H22 PLM A 201 -0.703 -16.032 -21.209 1.00 21.42 H new HETATM 0 H21 PLM A 201 -2.413 -16.326 -21.456 1.00 21.42 H new HETATM 0 H PLM A 201 0.166 -16.615 -19.116 1.00 30.44 H new HETATM 1757 C1 PLM A 202 1.516 -6.325 -14.054 1.00 15.44 C HETATM 1758 O1 PLM A 202 0.971 -5.261 -14.707 1.00 73.20 O HETATM 1759 O2 PLM A 202 2.402 -7.026 -14.532 1.00 74.42 O HETATM 1760 C2 PLM A 202 0.896 -6.563 -12.650 1.00 5.04 C HETATM 1761 C3 PLM A 202 1.338 -5.420 -11.670 1.00 32.23 C HETATM 1762 C4 PLM A 202 2.690 -5.659 -10.958 1.00 44.01 C HETATM 1763 C5 PLM A 202 3.869 -5.026 -11.717 1.00 2.30 C HETATM 1764 C6 PLM A 202 5.117 -5.930 -11.712 1.00 64.43 C HETATM 1765 C7 PLM A 202 5.267 -6.722 -13.026 1.00 32.51 C HETATM 1766 C8 PLM A 202 5.220 -8.245 -12.796 1.00 51.45 C HETATM 1767 C9 PLM A 202 6.246 -9.000 -13.664 1.00 51.43 C HETATM 1768 CA PLM A 202 7.700 -8.513 -13.497 1.00 44.42 C HETATM 1769 CB PLM A 202 8.352 -8.331 -14.881 1.00 34.24 C HETATM 1770 CC PLM A 202 8.549 -9.861 -15.501 1.00 0.42 C HETATM 1771 CD PLM A 202 8.682 -9.817 -17.036 1.00 12.51 C HETATM 1772 CE PLM A 202 10.126 -9.525 -17.488 1.00 22.43 C HETATM 1773 CF PLM A 202 10.701 -10.652 -18.364 1.00 30.40 C HETATM 1774 CG PLM A 202 11.904 -11.333 -17.701 1.00 53.12 C HETATM 0 HG3 PLM A 202 12.690 -10.598 -17.531 1.00 53.12 H new HETATM 0 HG2 PLM A 202 11.598 -11.764 -16.748 1.00 53.12 H new HETATM 0 HG1 PLM A 202 12.280 -12.122 -18.352 1.00 53.12 H new HETATM 0 HF2 PLM A 202 9.925 -11.393 -18.558 1.00 30.40 H new HETATM 0 HF1 PLM A 202 11.001 -10.245 -19.329 1.00 30.40 H new HETATM 0 HE2 PLM A 202 10.148 -8.588 -18.044 1.00 22.43 H new HETATM 0 HE1 PLM A 202 10.759 -9.390 -16.611 1.00 22.43 H new HETATM 0 HD2 PLM A 202 8.358 -10.770 -17.454 1.00 12.51 H new HETATM 0 HD1 PLM A 202 8.017 -9.051 -17.435 1.00 12.51 H new HETATM 0 HC2 PLM A 202 9.436 -10.322 -15.068 1.00 0.42 H new HETATM 0 HC1 PLM A 202 7.698 -10.483 -15.223 1.00 0.42 H new HETATM 0 HB2 PLM A 202 7.722 -7.725 -15.532 1.00 34.24 H new HETATM 0 HB1 PLM A 202 9.310 -7.818 -14.796 1.00 34.24 H new HETATM 0 HA2 PLM A 202 7.717 -7.570 -12.950 1.00 44.42 H new HETATM 0 HA1 PLM A 202 8.269 -9.233 -12.909 1.00 44.42 H new HETATM 0 H92 PLM A 202 6.200 -10.061 -13.419 1.00 51.43 H new HETATM 0 H91 PLM A 202 5.960 -8.902 -14.711 1.00 51.43 H new HETATM 0 H82 PLM A 202 5.411 -8.457 -11.744 1.00 51.45 H new HETATM 0 H81 PLM A 202 4.218 -8.613 -13.019 1.00 51.45 H new HETATM 0 H72 PLM A 202 4.471 -6.435 -13.714 1.00 32.51 H new HETATM 0 H71 PLM A 202 6.211 -6.457 -13.502 1.00 32.51 H new HETATM 0 H62 PLM A 202 6.006 -5.319 -11.555 1.00 64.43 H new HETATM 0 H61 PLM A 202 5.056 -6.626 -10.875 1.00 64.43 H new HETATM 0 H52 PLM A 202 3.571 -4.826 -12.746 1.00 2.30 H new HETATM 0 H51 PLM A 202 4.116 -4.066 -11.265 1.00 2.30 H new HETATM 0 H42 PLM A 202 2.646 -5.246 -9.950 1.00 44.01 H new HETATM 0 H41 PLM A 202 2.860 -6.731 -10.856 1.00 44.01 H new HETATM 0 H32 PLM A 202 1.398 -4.486 -12.228 1.00 32.23 H new HETATM 0 H31 PLM A 202 0.564 -5.290 -10.914 1.00 32.23 H new HETATM 0 H22 PLM A 202 -0.191 -6.591 -12.723 1.00 5.04 H new HETATM 0 H21 PLM A 202 1.214 -7.530 -12.262 1.00 5.04 H new HETATM 0 H PLM A 202 1.211 -4.433 -14.241 1.00 73.20 H new