USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 753 hydrogens (25 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 161:sc= -0.075 (180deg=-0.446) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -147:sc= 0.882 (180deg=0.328) USER MOD Single : A 9 LYS NZ :NH3+ -156:sc= 0.34 (180deg=-0.0496) USER MOD Single : A 13 TYR OH : rot 150:sc= -0.0102 USER MOD Single : A 15 MET CE :methyl -159:sc= 0 (180deg=-0.751) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 170:sc= 0.358 (180deg=0.167) USER MOD Single : A 31 GLN : amide:sc= 0.0769 X(o=0.077,f=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= -1.18 USER MOD Single : A 41 ASN : amide:sc= -0.185 X(o=-0.18,f=0.11) USER MOD Single : A 43 MET CE :methyl 149:sc= -0.556 (180deg=-3.22!) USER MOD Single : A 44 ASN : amide:sc= -1.07! C(o=-1.1!,f=-3!) USER MOD Single : A 47 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00257) USER MOD Single : A 49 MET CE :methyl -143:sc= -2.85! (180deg=-3.91!) USER MOD Single : A 51 TYR OH : rot -101:sc= 0.276 USER MOD Single : A 56 MET CE :methyl -128:sc= -1.52 (180deg=-3.11!) USER MOD Single : A 59 SER OG : rot -160:sc= 0.0109 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot -34:sc= 0.19 USER MOD Single : A 64 HIS : no HE2:sc= -0.261 X(o=-0.26,f=-0.62) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.111 USER MOD Single : A 68 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0249) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 153:sc= 0.409 (180deg=0.143) USER MOD Single : A 74 ASN :FLIP amide:sc= -0.121 F(o=-0.82,f=-0.12) USER MOD Single : A 77 SER OG : rot -18:sc= 0.468 USER MOD Single : A 79 THR OG1 : rot 68:sc= 1.22 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 159:sc= -2.74 (180deg=-4.14!) USER MOD Single : A 87 SER OG : rot 89:sc= 0.102 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.113 14.793 2.488 1.00 63.13 N ATOM 2 CA MET A 1 4.715 14.669 2.981 1.00 42.03 C ATOM 3 C MET A 1 3.744 14.948 1.830 1.00 12.32 C ATOM 4 O MET A 1 3.652 16.081 1.357 1.00 74.31 O ATOM 5 CB MET A 1 4.485 15.660 4.150 1.00 23.40 C ATOM 6 CG MET A 1 3.101 15.588 4.802 1.00 31.43 C ATOM 7 SD MET A 1 2.751 13.982 5.543 1.00 31.13 S ATOM 8 CE MET A 1 4.043 13.860 6.788 1.00 65.33 C ATOM 0 H1 MET A 1 6.774 14.604 3.268 1.00 63.13 H new ATOM 0 H2 MET A 1 6.274 14.106 1.724 1.00 63.13 H new ATOM 0 H3 MET A 1 6.270 15.756 2.127 1.00 63.13 H new ATOM 0 HA MET A 1 4.539 13.658 3.348 1.00 42.03 H new ATOM 0 HB2 MET A 1 5.240 15.476 4.915 1.00 23.40 H new ATOM 0 HB3 MET A 1 4.644 16.674 3.783 1.00 23.40 H new ATOM 0 HG2 MET A 1 3.027 16.359 5.569 1.00 31.43 H new ATOM 0 HG3 MET A 1 2.341 15.809 4.053 1.00 31.43 H new ATOM 0 HE1 MET A 1 3.764 13.112 7.530 1.00 65.33 H new ATOM 0 HE2 MET A 1 4.980 13.568 6.313 1.00 65.33 H new ATOM 0 HE3 MET A 1 4.170 14.826 7.277 1.00 65.33 H new ATOM 20 N ASP A 2 3.051 13.896 1.355 1.00 11.22 N ATOM 21 CA ASP A 2 2.134 13.967 0.190 1.00 23.12 C ATOM 22 C ASP A 2 0.902 13.073 0.444 1.00 55.34 C ATOM 23 O ASP A 2 0.849 12.356 1.453 1.00 11.34 O ATOM 24 CB ASP A 2 2.853 13.507 -1.120 1.00 24.31 C ATOM 25 CG ASP A 2 4.108 14.320 -1.486 1.00 43.10 C ATOM 26 OD1 ASP A 2 5.207 14.016 -0.962 1.00 32.13 O ATOM 27 OD2 ASP A 2 4.000 15.280 -2.274 1.00 11.32 O ATOM 0 H ASP A 2 3.108 12.965 1.768 1.00 11.22 H new ATOM 0 HA ASP A 2 1.820 15.003 0.064 1.00 23.12 H new ATOM 0 HB2 ASP A 2 3.134 12.459 -1.015 1.00 24.31 H new ATOM 0 HB3 ASP A 2 2.145 13.566 -1.947 1.00 24.31 H new ATOM 32 N GLY A 3 -0.082 13.120 -0.478 1.00 42.34 N ATOM 33 CA GLY A 3 -1.292 12.288 -0.405 1.00 51.03 C ATOM 34 C GLY A 3 -1.540 11.488 -1.677 1.00 44.34 C ATOM 35 O GLY A 3 -1.158 10.323 -1.770 1.00 1.24 O ATOM 0 H GLY A 3 -0.056 13.736 -1.291 1.00 42.34 H new ATOM 0 HA2 GLY A 3 -1.205 11.602 0.438 1.00 51.03 H new ATOM 0 HA3 GLY A 3 -2.154 12.926 -0.209 1.00 51.03 H new ATOM 39 N GLU A 4 -2.148 12.124 -2.687 1.00 15.30 N ATOM 40 CA GLU A 4 -2.599 11.421 -3.909 1.00 64.14 C ATOM 41 C GLU A 4 -1.446 11.044 -4.861 1.00 15.32 C ATOM 42 O GLU A 4 -1.645 10.250 -5.786 1.00 35.25 O ATOM 43 CB GLU A 4 -3.707 12.217 -4.645 1.00 11.44 C ATOM 44 CG GLU A 4 -5.016 12.357 -3.831 1.00 73.21 C ATOM 45 CD GLU A 4 -6.239 12.657 -4.708 1.00 22.10 C ATOM 46 OE1 GLU A 4 -6.541 13.842 -4.966 1.00 52.13 O ATOM 47 OE2 GLU A 4 -6.900 11.701 -5.168 1.00 13.02 O ATOM 0 H GLU A 4 -2.342 13.125 -2.688 1.00 15.30 H new ATOM 0 HA GLU A 4 -3.027 10.477 -3.571 1.00 64.14 H new ATOM 0 HB2 GLU A 4 -3.330 13.211 -4.884 1.00 11.44 H new ATOM 0 HB3 GLU A 4 -3.929 11.724 -5.591 1.00 11.44 H new ATOM 0 HG2 GLU A 4 -5.192 11.436 -3.275 1.00 73.21 H new ATOM 0 HG3 GLU A 4 -4.898 13.154 -3.097 1.00 73.21 H new ATOM 54 N GLU A 5 -0.251 11.607 -4.644 1.00 50.11 N ATOM 55 CA GLU A 5 0.959 11.202 -5.383 1.00 63.13 C ATOM 56 C GLU A 5 1.426 9.825 -4.917 1.00 13.52 C ATOM 57 O GLU A 5 1.796 8.977 -5.739 1.00 32.11 O ATOM 58 CB GLU A 5 2.105 12.217 -5.183 1.00 55.34 C ATOM 59 CG GLU A 5 3.367 11.922 -6.012 1.00 40.32 C ATOM 60 CD GLU A 5 4.529 12.845 -5.639 1.00 70.30 C ATOM 61 OE1 GLU A 5 5.294 12.512 -4.703 1.00 30.25 O ATOM 62 OE2 GLU A 5 4.677 13.924 -6.260 1.00 12.35 O ATOM 0 H GLU A 5 -0.092 12.347 -3.961 1.00 50.11 H new ATOM 0 HA GLU A 5 0.702 11.168 -6.442 1.00 63.13 H new ATOM 0 HB2 GLU A 5 1.741 13.212 -5.439 1.00 55.34 H new ATOM 0 HB3 GLU A 5 2.375 12.238 -4.127 1.00 55.34 H new ATOM 0 HG2 GLU A 5 3.665 10.885 -5.861 1.00 40.32 H new ATOM 0 HG3 GLU A 5 3.139 12.037 -7.072 1.00 40.32 H new ATOM 69 N VAL A 6 1.384 9.611 -3.582 1.00 63.01 N ATOM 70 CA VAL A 6 1.930 8.384 -2.955 1.00 1.44 C ATOM 71 C VAL A 6 1.217 7.150 -3.501 1.00 74.20 C ATOM 72 O VAL A 6 1.836 6.109 -3.680 1.00 14.43 O ATOM 73 CB VAL A 6 1.885 8.417 -1.368 1.00 35.10 C ATOM 74 CG1 VAL A 6 2.226 9.819 -0.842 1.00 14.31 C ATOM 75 CG2 VAL A 6 0.553 7.905 -0.755 1.00 21.02 C ATOM 0 H VAL A 6 0.978 10.271 -2.918 1.00 63.01 H new ATOM 0 HA VAL A 6 2.986 8.335 -3.222 1.00 1.44 H new ATOM 0 HB VAL A 6 2.647 7.711 -1.039 1.00 35.10 H new ATOM 0 HG11 VAL A 6 2.189 9.818 0.247 1.00 14.31 H new ATOM 0 HG12 VAL A 6 3.227 10.097 -1.171 1.00 14.31 H new ATOM 0 HG13 VAL A 6 1.504 10.538 -1.229 1.00 14.31 H new ATOM 0 HG21 VAL A 6 0.607 7.962 0.332 1.00 21.02 H new ATOM 0 HG22 VAL A 6 -0.272 8.523 -1.110 1.00 21.02 H new ATOM 0 HG23 VAL A 6 0.387 6.871 -1.057 1.00 21.02 H new ATOM 85 N LYS A 7 -0.071 7.346 -3.838 1.00 61.12 N ATOM 86 CA LYS A 7 -0.951 6.324 -4.412 1.00 62.23 C ATOM 87 C LYS A 7 -0.307 5.570 -5.608 1.00 72.14 C ATOM 88 O LYS A 7 -0.105 4.352 -5.549 1.00 53.44 O ATOM 89 CB LYS A 7 -2.286 6.983 -4.847 1.00 24.34 C ATOM 90 CG LYS A 7 -3.140 7.585 -3.708 1.00 12.53 C ATOM 91 CD LYS A 7 -4.588 7.929 -4.169 1.00 44.33 C ATOM 92 CE LYS A 7 -4.641 8.660 -5.522 1.00 70.22 C ATOM 93 NZ LYS A 7 -6.022 9.033 -5.942 1.00 51.45 N ATOM 0 H LYS A 7 -0.536 8.245 -3.713 1.00 61.12 H new ATOM 0 HA LYS A 7 -1.132 5.577 -3.639 1.00 62.23 H new ATOM 0 HB2 LYS A 7 -2.063 7.772 -5.565 1.00 24.34 H new ATOM 0 HB3 LYS A 7 -2.885 6.237 -5.369 1.00 24.34 H new ATOM 0 HG2 LYS A 7 -3.184 6.879 -2.879 1.00 12.53 H new ATOM 0 HG3 LYS A 7 -2.657 8.487 -3.333 1.00 12.53 H new ATOM 0 HD2 LYS A 7 -5.167 7.008 -4.239 1.00 44.33 H new ATOM 0 HD3 LYS A 7 -5.065 8.549 -3.410 1.00 44.33 H new ATOM 0 HE2 LYS A 7 -4.032 9.562 -5.463 1.00 70.22 H new ATOM 0 HE3 LYS A 7 -4.196 8.024 -6.287 1.00 70.22 H new ATOM 0 HZ1 LYS A 7 -6.094 8.988 -6.979 1.00 51.45 H new ATOM 0 HZ2 LYS A 7 -6.704 8.372 -5.519 1.00 51.45 H new ATOM 0 HZ3 LYS A 7 -6.233 10.000 -5.622 1.00 51.45 H new ATOM 107 N GLU A 8 0.037 6.304 -6.677 1.00 61.04 N ATOM 108 CA GLU A 8 0.584 5.692 -7.914 1.00 41.42 C ATOM 109 C GLU A 8 2.028 5.181 -7.695 1.00 42.20 C ATOM 110 O GLU A 8 2.513 4.333 -8.451 1.00 64.24 O ATOM 111 CB GLU A 8 0.448 6.658 -9.122 1.00 52.11 C ATOM 112 CG GLU A 8 1.370 7.907 -9.161 1.00 35.41 C ATOM 113 CD GLU A 8 2.698 7.692 -9.917 1.00 45.02 C ATOM 114 OE1 GLU A 8 2.659 7.460 -11.149 1.00 71.11 O ATOM 115 OE2 GLU A 8 3.774 7.741 -9.300 1.00 45.23 O ATOM 0 H GLU A 8 -0.051 7.319 -6.717 1.00 61.04 H new ATOM 0 HA GLU A 8 -0.012 4.813 -8.160 1.00 41.42 H new ATOM 0 HB2 GLU A 8 0.625 6.083 -10.031 1.00 52.11 H new ATOM 0 HB3 GLU A 8 -0.585 7.004 -9.159 1.00 52.11 H new ATOM 0 HG2 GLU A 8 0.828 8.730 -9.628 1.00 35.41 H new ATOM 0 HG3 GLU A 8 1.593 8.212 -8.138 1.00 35.41 H new ATOM 122 N LYS A 9 2.688 5.687 -6.634 1.00 51.20 N ATOM 123 CA LYS A 9 4.030 5.228 -6.221 1.00 73.10 C ATOM 124 C LYS A 9 3.957 3.921 -5.400 1.00 73.12 C ATOM 125 O LYS A 9 4.929 3.166 -5.357 1.00 10.32 O ATOM 126 CB LYS A 9 4.761 6.342 -5.426 1.00 24.22 C ATOM 127 CG LYS A 9 4.928 7.673 -6.197 1.00 62.41 C ATOM 128 CD LYS A 9 5.830 8.689 -5.459 1.00 44.22 C ATOM 129 CE LYS A 9 5.299 9.097 -4.084 1.00 15.21 C ATOM 130 NZ LYS A 9 6.260 9.960 -3.347 1.00 20.42 N ATOM 0 H LYS A 9 2.307 6.424 -6.040 1.00 51.20 H new ATOM 0 HA LYS A 9 4.602 5.012 -7.123 1.00 73.10 H new ATOM 0 HB2 LYS A 9 4.210 6.536 -4.506 1.00 24.22 H new ATOM 0 HB3 LYS A 9 5.747 5.978 -5.137 1.00 24.22 H new ATOM 0 HG2 LYS A 9 5.351 7.467 -7.180 1.00 62.41 H new ATOM 0 HG3 LYS A 9 3.946 8.118 -6.360 1.00 62.41 H new ATOM 0 HD2 LYS A 9 6.825 8.260 -5.342 1.00 44.22 H new ATOM 0 HD3 LYS A 9 5.938 9.581 -6.076 1.00 44.22 H new ATOM 0 HE2 LYS A 9 4.354 9.627 -4.203 1.00 15.21 H new ATOM 0 HE3 LYS A 9 5.091 8.203 -3.496 1.00 15.21 H new ATOM 0 HZ1 LYS A 9 6.082 9.884 -2.325 1.00 20.42 H new ATOM 0 HZ2 LYS A 9 7.232 9.652 -3.553 1.00 20.42 H new ATOM 0 HZ3 LYS A 9 6.140 10.948 -3.647 1.00 20.42 H new ATOM 144 N ILE A 10 2.802 3.660 -4.754 1.00 30.34 N ATOM 145 CA ILE A 10 2.543 2.368 -4.073 1.00 22.04 C ATOM 146 C ILE A 10 2.281 1.306 -5.144 1.00 73.13 C ATOM 147 O ILE A 10 2.870 0.226 -5.108 1.00 70.22 O ATOM 148 CB ILE A 10 1.311 2.437 -3.086 1.00 50.24 C ATOM 149 CG1 ILE A 10 1.483 3.551 -2.007 1.00 24.12 C ATOM 150 CG2 ILE A 10 1.028 1.072 -2.412 1.00 4.35 C ATOM 151 CD1 ILE A 10 2.759 3.472 -1.184 1.00 53.43 C ATOM 0 H ILE A 10 2.032 4.325 -4.688 1.00 30.34 H new ATOM 0 HA ILE A 10 3.417 2.119 -3.471 1.00 22.04 H new ATOM 0 HB ILE A 10 0.448 2.695 -3.699 1.00 50.24 H new ATOM 0 HG12 ILE A 10 1.450 4.521 -2.503 1.00 24.12 H new ATOM 0 HG13 ILE A 10 0.631 3.511 -1.329 1.00 24.12 H new ATOM 0 HG21 ILE A 10 0.173 1.167 -1.742 1.00 4.35 H new ATOM 0 HG22 ILE A 10 0.809 0.327 -3.177 1.00 4.35 H new ATOM 0 HG23 ILE A 10 1.903 0.760 -1.842 1.00 4.35 H new ATOM 0 HD11 ILE A 10 2.779 4.291 -0.465 1.00 53.43 H new ATOM 0 HD12 ILE A 10 2.791 2.521 -0.652 1.00 53.43 H new ATOM 0 HD13 ILE A 10 3.623 3.547 -1.844 1.00 53.43 H new ATOM 163 N ARG A 11 1.417 1.676 -6.116 1.00 22.15 N ATOM 164 CA ARG A 11 1.096 0.840 -7.300 1.00 62.02 C ATOM 165 C ARG A 11 2.376 0.395 -8.019 1.00 60.14 C ATOM 166 O ARG A 11 2.538 -0.787 -8.326 1.00 31.15 O ATOM 167 CB ARG A 11 0.182 1.618 -8.291 1.00 51.23 C ATOM 168 CG ARG A 11 -1.222 1.954 -7.768 1.00 50.22 C ATOM 169 CD ARG A 11 -2.007 2.887 -8.724 1.00 4.42 C ATOM 170 NE ARG A 11 -2.209 2.311 -10.065 1.00 50.21 N ATOM 171 CZ ARG A 11 -3.174 2.661 -10.929 1.00 51.42 C ATOM 172 NH1 ARG A 11 -4.064 3.603 -10.641 1.00 33.42 N ATOM 173 NH2 ARG A 11 -3.234 2.062 -12.107 1.00 23.03 N ATOM 0 H ARG A 11 0.919 2.566 -6.103 1.00 22.15 H new ATOM 0 HA ARG A 11 0.566 -0.045 -6.948 1.00 62.02 H new ATOM 0 HB2 ARG A 11 0.681 2.547 -8.565 1.00 51.23 H new ATOM 0 HB3 ARG A 11 0.080 1.030 -9.203 1.00 51.23 H new ATOM 0 HG2 ARG A 11 -1.783 1.030 -7.626 1.00 50.22 H new ATOM 0 HG3 ARG A 11 -1.137 2.429 -6.791 1.00 50.22 H new ATOM 0 HD2 ARG A 11 -2.978 3.113 -8.283 1.00 4.42 H new ATOM 0 HD3 ARG A 11 -1.472 3.832 -8.819 1.00 4.42 H new ATOM 0 HE ARG A 11 -1.559 1.583 -10.362 1.00 50.21 H new ATOM 0 HH11 ARG A 11 -4.026 4.083 -9.742 1.00 33.42 H new ATOM 0 HH12 ARG A 11 -4.786 3.847 -11.319 1.00 33.42 H new ATOM 0 HH21 ARG A 11 -2.552 1.344 -12.349 1.00 23.03 H new ATOM 0 HH22 ARG A 11 -3.963 2.319 -12.773 1.00 23.03 H new ATOM 187 N ARG A 12 3.285 1.360 -8.255 1.00 25.14 N ATOM 188 CA ARG A 12 4.583 1.085 -8.885 1.00 0.54 C ATOM 189 C ARG A 12 5.445 0.194 -7.983 1.00 61.13 C ATOM 190 O ARG A 12 5.821 -0.870 -8.408 1.00 2.04 O ATOM 191 CB ARG A 12 5.328 2.396 -9.299 1.00 40.03 C ATOM 192 CG ARG A 12 5.141 2.784 -10.794 1.00 72.04 C ATOM 193 CD ARG A 12 3.674 3.042 -11.181 1.00 10.22 C ATOM 194 NE ARG A 12 3.463 3.085 -12.639 1.00 33.43 N ATOM 195 CZ ARG A 12 2.731 3.998 -13.298 1.00 71.13 C ATOM 196 NH1 ARG A 12 2.126 4.994 -12.657 1.00 21.15 N ATOM 197 NH2 ARG A 12 2.568 3.871 -14.605 1.00 5.43 N ATOM 0 H ARG A 12 3.140 2.341 -8.016 1.00 25.14 H new ATOM 0 HA ARG A 12 4.393 0.539 -9.809 1.00 0.54 H new ATOM 0 HB2 ARG A 12 4.974 3.216 -8.674 1.00 40.03 H new ATOM 0 HB3 ARG A 12 6.392 2.277 -9.095 1.00 40.03 H new ATOM 0 HG2 ARG A 12 5.727 3.678 -11.005 1.00 72.04 H new ATOM 0 HG3 ARG A 12 5.539 1.986 -11.421 1.00 72.04 H new ATOM 0 HD2 ARG A 12 3.048 2.260 -10.752 1.00 10.22 H new ATOM 0 HD3 ARG A 12 3.349 3.986 -10.744 1.00 10.22 H new ATOM 0 HE ARG A 12 3.912 2.358 -13.196 1.00 33.43 H new ATOM 0 HH11 ARG A 12 2.213 5.076 -11.644 1.00 21.15 H new ATOM 0 HH12 ARG A 12 1.575 5.676 -13.178 1.00 21.15 H new ATOM 0 HH21 ARG A 12 2.996 3.087 -15.099 1.00 5.43 H new ATOM 0 HH22 ARG A 12 2.015 4.557 -15.119 1.00 5.43 H new ATOM 211 N TYR A 13 5.686 0.605 -6.724 1.00 70.01 N ATOM 212 CA TYR A 13 6.593 -0.132 -5.789 1.00 62.23 C ATOM 213 C TYR A 13 6.264 -1.644 -5.710 1.00 61.42 C ATOM 214 O TYR A 13 7.173 -2.482 -5.765 1.00 52.34 O ATOM 215 CB TYR A 13 6.570 0.497 -4.370 1.00 2.12 C ATOM 216 CG TYR A 13 7.466 -0.243 -3.346 1.00 52.44 C ATOM 217 CD1 TYR A 13 8.854 -0.344 -3.539 1.00 70.45 C ATOM 218 CD2 TYR A 13 6.927 -0.862 -2.219 1.00 21.23 C ATOM 219 CE1 TYR A 13 9.655 -1.013 -2.636 1.00 22.43 C ATOM 220 CE2 TYR A 13 7.728 -1.524 -1.318 1.00 54.25 C ATOM 221 CZ TYR A 13 9.089 -1.607 -1.532 1.00 12.21 C ATOM 222 OH TYR A 13 9.891 -2.280 -0.641 1.00 74.01 O ATOM 0 H TYR A 13 5.270 1.444 -6.319 1.00 70.01 H new ATOM 0 HA TYR A 13 7.598 -0.038 -6.200 1.00 62.23 H new ATOM 0 HB2 TYR A 13 6.893 1.536 -4.438 1.00 2.12 H new ATOM 0 HB3 TYR A 13 5.544 0.505 -4.002 1.00 2.12 H new ATOM 0 HD1 TYR A 13 9.302 0.110 -4.410 1.00 70.45 H new ATOM 0 HD2 TYR A 13 5.861 -0.821 -2.050 1.00 21.23 H new ATOM 0 HE1 TYR A 13 10.722 -1.070 -2.795 1.00 22.43 H new ATOM 0 HE2 TYR A 13 7.291 -1.980 -0.442 1.00 54.25 H new ATOM 0 HH TYR A 13 9.501 -2.225 0.256 1.00 74.01 H new ATOM 232 N ILE A 14 4.963 -1.965 -5.604 1.00 72.31 N ATOM 233 CA ILE A 14 4.478 -3.349 -5.551 1.00 23.51 C ATOM 234 C ILE A 14 4.869 -4.103 -6.845 1.00 4.43 C ATOM 235 O ILE A 14 5.529 -5.128 -6.794 1.00 22.25 O ATOM 236 CB ILE A 14 2.923 -3.413 -5.308 1.00 51.04 C ATOM 237 CG1 ILE A 14 2.528 -2.685 -3.981 1.00 70.54 C ATOM 238 CG2 ILE A 14 2.435 -4.877 -5.277 1.00 62.13 C ATOM 239 CD1 ILE A 14 1.029 -2.578 -3.735 1.00 53.35 C ATOM 0 H ILE A 14 4.219 -1.269 -5.553 1.00 72.31 H new ATOM 0 HA ILE A 14 4.955 -3.840 -4.703 1.00 23.51 H new ATOM 0 HB ILE A 14 2.437 -2.899 -6.137 1.00 51.04 H new ATOM 0 HG12 ILE A 14 2.983 -3.214 -3.143 1.00 70.54 H new ATOM 0 HG13 ILE A 14 2.953 -1.681 -3.993 1.00 70.54 H new ATOM 0 HG21 ILE A 14 1.358 -4.898 -5.108 1.00 62.13 H new ATOM 0 HG22 ILE A 14 2.662 -5.357 -6.229 1.00 62.13 H new ATOM 0 HG23 ILE A 14 2.939 -5.412 -4.472 1.00 62.13 H new ATOM 0 HD11 ILE A 14 0.851 -2.059 -2.793 1.00 53.35 H new ATOM 0 HD12 ILE A 14 0.566 -2.021 -4.549 1.00 53.35 H new ATOM 0 HD13 ILE A 14 0.596 -3.577 -3.686 1.00 53.35 H new ATOM 251 N MET A 15 4.518 -3.544 -7.999 1.00 3.23 N ATOM 252 CA MET A 15 4.728 -4.213 -9.305 1.00 72.31 C ATOM 253 C MET A 15 6.219 -4.295 -9.694 1.00 2.43 C ATOM 254 O MET A 15 6.692 -5.356 -10.081 1.00 54.01 O ATOM 255 CB MET A 15 3.908 -3.496 -10.392 1.00 14.04 C ATOM 256 CG MET A 15 2.410 -3.465 -10.100 1.00 34.42 C ATOM 257 SD MET A 15 1.676 -5.093 -9.808 1.00 3.41 S ATOM 258 CE MET A 15 1.864 -5.872 -11.404 1.00 31.24 C ATOM 0 H MET A 15 4.083 -2.624 -8.070 1.00 3.23 H new ATOM 0 HA MET A 15 4.381 -5.242 -9.213 1.00 72.31 H new ATOM 0 HB2 MET A 15 4.272 -2.474 -10.496 1.00 14.04 H new ATOM 0 HB3 MET A 15 4.074 -3.992 -11.348 1.00 14.04 H new ATOM 0 HG2 MET A 15 2.235 -2.838 -9.226 1.00 34.42 H new ATOM 0 HG3 MET A 15 1.898 -2.993 -10.938 1.00 34.42 H new ATOM 0 HE1 MET A 15 1.154 -6.695 -11.493 1.00 31.24 H new ATOM 0 HE2 MET A 15 1.673 -5.141 -12.190 1.00 31.24 H new ATOM 0 HE3 MET A 15 2.879 -6.256 -11.504 1.00 31.24 H new ATOM 268 N GLU A 16 6.947 -3.183 -9.552 1.00 42.35 N ATOM 269 CA GLU A 16 8.360 -3.069 -9.961 1.00 42.52 C ATOM 270 C GLU A 16 9.253 -3.979 -9.119 1.00 74.41 C ATOM 271 O GLU A 16 10.128 -4.650 -9.650 1.00 12.23 O ATOM 272 CB GLU A 16 8.862 -1.601 -9.849 1.00 44.24 C ATOM 273 CG GLU A 16 8.025 -0.545 -10.607 1.00 52.20 C ATOM 274 CD GLU A 16 7.687 -0.918 -12.059 1.00 3.44 C ATOM 275 OE1 GLU A 16 8.523 -0.669 -12.953 1.00 33.24 O ATOM 276 OE2 GLU A 16 6.585 -1.456 -12.312 1.00 23.21 O ATOM 0 H GLU A 16 6.573 -2.325 -9.146 1.00 42.35 H new ATOM 0 HA GLU A 16 8.418 -3.383 -11.003 1.00 42.52 H new ATOM 0 HB2 GLU A 16 8.891 -1.326 -8.795 1.00 44.24 H new ATOM 0 HB3 GLU A 16 9.887 -1.558 -10.218 1.00 44.24 H new ATOM 0 HG2 GLU A 16 7.095 -0.379 -10.063 1.00 52.20 H new ATOM 0 HG3 GLU A 16 8.569 0.400 -10.606 1.00 52.20 H new ATOM 283 N ASP A 17 9.011 -3.996 -7.805 1.00 10.42 N ATOM 284 CA ASP A 17 9.867 -4.711 -6.837 1.00 33.24 C ATOM 285 C ASP A 17 9.232 -6.038 -6.399 1.00 12.20 C ATOM 286 O ASP A 17 9.773 -7.111 -6.693 1.00 74.22 O ATOM 287 CB ASP A 17 10.147 -3.795 -5.616 1.00 73.11 C ATOM 288 CG ASP A 17 11.005 -4.466 -4.530 1.00 33.44 C ATOM 289 OD1 ASP A 17 12.190 -4.766 -4.801 1.00 43.43 O ATOM 290 OD2 ASP A 17 10.510 -4.698 -3.406 1.00 65.33 O ATOM 0 H ASP A 17 8.219 -3.517 -7.377 1.00 10.42 H new ATOM 0 HA ASP A 17 10.812 -4.955 -7.322 1.00 33.24 H new ATOM 0 HB2 ASP A 17 10.650 -2.891 -5.958 1.00 73.11 H new ATOM 0 HB3 ASP A 17 9.198 -3.486 -5.178 1.00 73.11 H new ATOM 295 N LEU A 18 8.057 -5.948 -5.746 1.00 4.34 N ATOM 296 CA LEU A 18 7.399 -7.101 -5.076 1.00 53.22 C ATOM 297 C LEU A 18 6.993 -8.188 -6.093 1.00 14.25 C ATOM 298 O LEU A 18 7.031 -9.373 -5.770 1.00 72.44 O ATOM 299 CB LEU A 18 6.156 -6.656 -4.248 1.00 73.50 C ATOM 300 CG LEU A 18 6.406 -5.831 -2.943 1.00 62.12 C ATOM 301 CD1 LEU A 18 7.186 -4.526 -3.177 1.00 32.13 C ATOM 302 CD2 LEU A 18 5.063 -5.523 -2.258 1.00 1.14 C ATOM 0 H LEU A 18 7.533 -5.077 -5.665 1.00 4.34 H new ATOM 0 HA LEU A 18 8.133 -7.524 -4.390 1.00 53.22 H new ATOM 0 HB2 LEU A 18 5.514 -6.064 -4.900 1.00 73.50 H new ATOM 0 HB3 LEU A 18 5.597 -7.551 -3.976 1.00 73.50 H new ATOM 0 HG LEU A 18 7.031 -6.450 -2.299 1.00 62.12 H new ATOM 0 HD11 LEU A 18 7.321 -4.008 -2.228 1.00 32.13 H new ATOM 0 HD12 LEU A 18 8.161 -4.757 -3.607 1.00 32.13 H new ATOM 0 HD13 LEU A 18 6.629 -3.887 -3.863 1.00 32.13 H new ATOM 0 HD21 LEU A 18 5.241 -4.948 -1.349 1.00 1.14 H new ATOM 0 HD22 LEU A 18 4.433 -4.946 -2.935 1.00 1.14 H new ATOM 0 HD23 LEU A 18 4.562 -6.457 -2.004 1.00 1.14 H new ATOM 314 N ILE A 19 6.554 -7.770 -7.294 1.00 73.21 N ATOM 315 CA ILE A 19 6.328 -8.683 -8.429 1.00 55.04 C ATOM 316 C ILE A 19 7.663 -8.880 -9.166 1.00 44.54 C ATOM 317 O ILE A 19 8.132 -10.012 -9.347 1.00 32.23 O ATOM 318 CB ILE A 19 5.207 -8.152 -9.428 1.00 12.43 C ATOM 319 CG1 ILE A 19 3.757 -8.308 -8.847 1.00 51.05 C ATOM 320 CG2 ILE A 19 5.292 -8.849 -10.809 1.00 4.31 C ATOM 321 CD1 ILE A 19 3.446 -7.534 -7.583 1.00 51.21 C ATOM 0 H ILE A 19 6.347 -6.794 -7.505 1.00 73.21 H new ATOM 0 HA ILE A 19 5.962 -9.634 -8.041 1.00 55.04 H new ATOM 0 HB ILE A 19 5.406 -7.088 -9.556 1.00 12.43 H new ATOM 0 HG12 ILE A 19 3.047 -8.004 -9.616 1.00 51.05 H new ATOM 0 HG13 ILE A 19 3.580 -9.366 -8.651 1.00 51.05 H new ATOM 0 HG21 ILE A 19 4.511 -8.459 -11.462 1.00 4.31 H new ATOM 0 HG22 ILE A 19 6.268 -8.655 -11.255 1.00 4.31 H new ATOM 0 HG23 ILE A 19 5.157 -9.923 -10.683 1.00 4.31 H new ATOM 0 HD11 ILE A 19 2.416 -7.725 -7.284 1.00 51.21 H new ATOM 0 HD12 ILE A 19 4.120 -7.851 -6.787 1.00 51.21 H new ATOM 0 HD13 ILE A 19 3.578 -6.468 -7.767 1.00 51.21 H new ATOM 333 N GLY A 20 8.277 -7.756 -9.556 1.00 54.04 N ATOM 334 CA GLY A 20 9.525 -7.744 -10.331 1.00 72.43 C ATOM 335 C GLY A 20 9.378 -6.971 -11.640 1.00 12.14 C ATOM 336 O GLY A 20 8.281 -6.508 -11.963 1.00 0.15 O ATOM 0 H GLY A 20 7.921 -6.825 -9.342 1.00 54.04 H new ATOM 0 HA2 GLY A 20 10.319 -7.297 -9.733 1.00 72.43 H new ATOM 0 HA3 GLY A 20 9.828 -8.769 -10.547 1.00 72.43 H new ATOM 340 N PRO A 21 10.470 -6.845 -12.448 1.00 10.45 N ATOM 341 CA PRO A 21 10.463 -6.045 -13.703 1.00 73.14 C ATOM 342 C PRO A 21 9.522 -6.627 -14.788 1.00 50.31 C ATOM 343 O PRO A 21 9.160 -5.938 -15.742 1.00 4.32 O ATOM 344 CB PRO A 21 11.948 -6.069 -14.144 1.00 11.25 C ATOM 345 CG PRO A 21 12.497 -7.318 -13.539 1.00 73.20 C ATOM 346 CD PRO A 21 11.795 -7.471 -12.213 1.00 72.12 C ATOM 0 HA PRO A 21 10.077 -5.037 -13.549 1.00 73.14 H new ATOM 0 HB2 PRO A 21 12.039 -6.081 -15.230 1.00 11.25 H new ATOM 0 HB3 PRO A 21 12.482 -5.188 -13.789 1.00 11.25 H new ATOM 0 HG2 PRO A 21 12.312 -8.179 -14.182 1.00 73.20 H new ATOM 0 HG3 PRO A 21 13.576 -7.247 -13.405 1.00 73.20 H new ATOM 0 HD2 PRO A 21 11.699 -8.519 -11.928 1.00 72.12 H new ATOM 0 HD3 PRO A 21 12.338 -6.971 -11.411 1.00 72.12 H new ATOM 354 N SER A 22 9.116 -7.891 -14.612 1.00 53.25 N ATOM 355 CA SER A 22 8.123 -8.558 -15.471 1.00 54.05 C ATOM 356 C SER A 22 6.703 -8.343 -14.890 1.00 54.32 C ATOM 357 O SER A 22 5.867 -9.266 -14.867 1.00 65.41 O ATOM 358 CB SER A 22 8.480 -10.056 -15.549 1.00 52.41 C ATOM 359 OG SER A 22 9.819 -10.250 -15.975 1.00 25.32 O ATOM 0 H SER A 22 9.469 -8.487 -13.863 1.00 53.25 H new ATOM 0 HA SER A 22 8.135 -8.137 -16.476 1.00 54.05 H new ATOM 0 HB2 SER A 22 8.338 -10.516 -14.571 1.00 52.41 H new ATOM 0 HB3 SER A 22 7.801 -10.557 -16.239 1.00 52.41 H new ATOM 0 HG SER A 22 10.015 -11.210 -16.012 1.00 25.32 H new ATOM 365 N ALA A 23 6.448 -7.100 -14.434 1.00 32.13 N ATOM 366 CA ALA A 23 5.204 -6.703 -13.772 1.00 1.22 C ATOM 367 C ALA A 23 4.006 -6.763 -14.731 1.00 64.54 C ATOM 368 O ALA A 23 4.062 -6.212 -15.839 1.00 1.43 O ATOM 369 CB ALA A 23 5.357 -5.298 -13.202 1.00 31.23 C ATOM 0 H ALA A 23 7.118 -6.335 -14.521 1.00 32.13 H new ATOM 0 HA ALA A 23 5.008 -7.407 -12.963 1.00 1.22 H new ATOM 0 HB1 ALA A 23 4.431 -5.002 -12.709 1.00 31.23 H new ATOM 0 HB2 ALA A 23 6.173 -5.285 -12.479 1.00 31.23 H new ATOM 0 HB3 ALA A 23 5.577 -4.600 -14.010 1.00 31.23 H new ATOM 375 N LYS A 24 2.926 -7.434 -14.285 1.00 22.13 N ATOM 376 CA LYS A 24 1.679 -7.573 -15.041 1.00 2.02 C ATOM 377 C LYS A 24 0.830 -6.298 -14.864 1.00 52.42 C ATOM 378 O LYS A 24 -0.086 -6.243 -14.031 1.00 53.01 O ATOM 379 CB LYS A 24 0.893 -8.850 -14.620 1.00 70.23 C ATOM 380 CG LYS A 24 1.591 -10.195 -14.965 1.00 73.31 C ATOM 381 CD LYS A 24 2.756 -10.563 -14.021 1.00 61.12 C ATOM 382 CE LYS A 24 3.542 -11.793 -14.516 1.00 44.04 C ATOM 383 NZ LYS A 24 4.177 -11.558 -15.844 1.00 24.34 N ATOM 0 H LYS A 24 2.901 -7.898 -13.377 1.00 22.13 H new ATOM 0 HA LYS A 24 1.918 -7.692 -16.098 1.00 2.02 H new ATOM 0 HB2 LYS A 24 0.720 -8.813 -13.544 1.00 70.23 H new ATOM 0 HB3 LYS A 24 -0.085 -8.832 -15.101 1.00 70.23 H new ATOM 0 HG2 LYS A 24 0.850 -10.994 -14.938 1.00 73.31 H new ATOM 0 HG3 LYS A 24 1.968 -10.145 -15.987 1.00 73.31 H new ATOM 0 HD2 LYS A 24 3.433 -9.713 -13.934 1.00 61.12 H new ATOM 0 HD3 LYS A 24 2.364 -10.762 -13.024 1.00 61.12 H new ATOM 0 HE2 LYS A 24 4.311 -12.048 -13.787 1.00 44.04 H new ATOM 0 HE3 LYS A 24 2.870 -12.649 -14.583 1.00 44.04 H new ATOM 0 HZ1 LYS A 24 4.829 -12.339 -16.060 1.00 24.34 H new ATOM 0 HZ2 LYS A 24 3.441 -11.509 -16.577 1.00 24.34 H new ATOM 0 HZ3 LYS A 24 4.705 -10.662 -15.823 1.00 24.34 H new ATOM 397 N GLU A 25 1.214 -5.258 -15.626 1.00 23.03 N ATOM 398 CA GLU A 25 0.586 -3.909 -15.616 1.00 52.15 C ATOM 399 C GLU A 25 -0.933 -3.959 -15.886 1.00 45.24 C ATOM 400 O GLU A 25 -1.703 -3.106 -15.417 1.00 23.14 O ATOM 401 CB GLU A 25 1.263 -3.024 -16.695 1.00 44.13 C ATOM 402 CG GLU A 25 1.268 -3.653 -18.112 1.00 52.54 C ATOM 403 CD GLU A 25 1.676 -2.669 -19.222 1.00 14.51 C ATOM 404 OE1 GLU A 25 0.816 -1.890 -19.675 1.00 73.32 O ATOM 405 OE2 GLU A 25 2.849 -2.665 -19.647 1.00 43.22 O ATOM 0 H GLU A 25 1.989 -5.326 -16.285 1.00 23.03 H new ATOM 0 HA GLU A 25 0.729 -3.491 -14.620 1.00 52.15 H new ATOM 0 HB2 GLU A 25 0.750 -2.063 -16.737 1.00 44.13 H new ATOM 0 HB3 GLU A 25 2.291 -2.824 -16.394 1.00 44.13 H new ATOM 0 HG2 GLU A 25 1.952 -4.502 -18.121 1.00 52.54 H new ATOM 0 HG3 GLU A 25 0.274 -4.043 -18.331 1.00 52.54 H new ATOM 412 N ASP A 26 -1.327 -4.975 -16.658 1.00 44.45 N ATOM 413 CA ASP A 26 -2.708 -5.190 -17.101 1.00 33.04 C ATOM 414 C ASP A 26 -3.630 -5.463 -15.903 1.00 31.35 C ATOM 415 O ASP A 26 -4.791 -5.062 -15.890 1.00 24.34 O ATOM 416 CB ASP A 26 -2.753 -6.388 -18.084 1.00 23.32 C ATOM 417 CG ASP A 26 -1.780 -6.231 -19.262 1.00 0.13 C ATOM 418 OD1 ASP A 26 -2.162 -5.647 -20.296 1.00 15.12 O ATOM 419 OD2 ASP A 26 -0.612 -6.675 -19.147 1.00 2.15 O ATOM 0 H ASP A 26 -0.681 -5.687 -17.000 1.00 44.45 H new ATOM 0 HA ASP A 26 -3.059 -4.288 -17.603 1.00 33.04 H new ATOM 0 HB2 ASP A 26 -2.516 -7.304 -17.543 1.00 23.32 H new ATOM 0 HB3 ASP A 26 -3.767 -6.498 -18.469 1.00 23.32 H new ATOM 424 N GLU A 27 -3.068 -6.153 -14.899 1.00 51.45 N ATOM 425 CA GLU A 27 -3.776 -6.560 -13.657 1.00 12.13 C ATOM 426 C GLU A 27 -3.673 -5.487 -12.556 1.00 20.33 C ATOM 427 O GLU A 27 -4.419 -5.524 -11.562 1.00 75.43 O ATOM 428 CB GLU A 27 -3.199 -7.915 -13.166 1.00 41.20 C ATOM 429 CG GLU A 27 -3.339 -9.040 -14.199 1.00 3.35 C ATOM 430 CD GLU A 27 -2.820 -10.397 -13.698 1.00 45.14 C ATOM 431 OE1 GLU A 27 -3.500 -11.029 -12.867 1.00 65.35 O ATOM 432 OE2 GLU A 27 -1.734 -10.828 -14.118 1.00 13.31 O ATOM 0 H GLU A 27 -2.093 -6.453 -14.919 1.00 51.45 H new ATOM 0 HA GLU A 27 -4.836 -6.673 -13.883 1.00 12.13 H new ATOM 0 HB2 GLU A 27 -2.145 -7.786 -12.919 1.00 41.20 H new ATOM 0 HB3 GLU A 27 -3.708 -8.208 -12.248 1.00 41.20 H new ATOM 0 HG2 GLU A 27 -4.388 -9.141 -14.476 1.00 3.35 H new ATOM 0 HG3 GLU A 27 -2.796 -8.763 -15.103 1.00 3.35 H new ATOM 439 N LEU A 28 -2.753 -4.542 -12.741 1.00 14.32 N ATOM 440 CA LEU A 28 -2.526 -3.437 -11.809 1.00 31.04 C ATOM 441 C LEU A 28 -3.555 -2.322 -12.062 1.00 55.32 C ATOM 442 O LEU A 28 -3.771 -1.911 -13.204 1.00 54.33 O ATOM 443 CB LEU A 28 -1.056 -2.942 -11.952 1.00 25.52 C ATOM 444 CG LEU A 28 -0.533 -1.856 -10.938 1.00 32.41 C ATOM 445 CD1 LEU A 28 -0.829 -0.416 -11.390 1.00 44.01 C ATOM 446 CD2 LEU A 28 -1.038 -2.107 -9.485 1.00 43.52 C ATOM 0 H LEU A 28 -2.136 -4.521 -13.553 1.00 14.32 H new ATOM 0 HA LEU A 28 -2.664 -3.768 -10.780 1.00 31.04 H new ATOM 0 HB2 LEU A 28 -0.403 -3.811 -11.874 1.00 25.52 H new ATOM 0 HB3 LEU A 28 -0.936 -2.542 -12.959 1.00 25.52 H new ATOM 0 HG LEU A 28 0.551 -1.966 -10.931 1.00 32.41 H new ATOM 0 HD11 LEU A 28 -0.444 0.284 -10.649 1.00 44.01 H new ATOM 0 HD12 LEU A 28 -0.348 -0.230 -12.350 1.00 44.01 H new ATOM 0 HD13 LEU A 28 -1.906 -0.281 -11.492 1.00 44.01 H new ATOM 0 HD21 LEU A 28 -0.649 -1.331 -8.826 1.00 43.52 H new ATOM 0 HD22 LEU A 28 -2.128 -2.084 -9.469 1.00 43.52 H new ATOM 0 HD23 LEU A 28 -0.691 -3.082 -9.142 1.00 43.52 H new ATOM 458 N ASP A 29 -4.203 -1.885 -10.976 1.00 65.02 N ATOM 459 CA ASP A 29 -5.089 -0.712 -10.956 1.00 41.52 C ATOM 460 C ASP A 29 -5.281 -0.267 -9.500 1.00 41.40 C ATOM 461 O ASP A 29 -4.935 -1.011 -8.566 1.00 44.14 O ATOM 462 CB ASP A 29 -6.468 -1.040 -11.618 1.00 52.11 C ATOM 463 CG ASP A 29 -7.245 0.205 -12.088 1.00 55.43 C ATOM 464 OD1 ASP A 29 -8.033 0.771 -11.310 1.00 63.21 O ATOM 465 OD2 ASP A 29 -7.066 0.621 -13.244 1.00 64.20 O ATOM 0 H ASP A 29 -4.126 -2.344 -10.069 1.00 65.02 H new ATOM 0 HA ASP A 29 -4.635 0.095 -11.532 1.00 41.52 H new ATOM 0 HB2 ASP A 29 -6.303 -1.697 -12.472 1.00 52.11 H new ATOM 0 HB3 ASP A 29 -7.081 -1.591 -10.905 1.00 52.11 H new ATOM 470 N ASP A 30 -5.832 0.939 -9.313 1.00 55.42 N ATOM 471 CA ASP A 30 -6.085 1.509 -7.980 1.00 70.53 C ATOM 472 C ASP A 30 -7.408 0.982 -7.391 1.00 73.43 C ATOM 473 O ASP A 30 -7.566 0.864 -6.165 1.00 31.25 O ATOM 474 CB ASP A 30 -6.079 3.054 -8.055 1.00 74.00 C ATOM 475 CG ASP A 30 -7.119 3.657 -9.024 1.00 42.00 C ATOM 476 OD1 ASP A 30 -6.987 3.473 -10.253 1.00 4.42 O ATOM 477 OD2 ASP A 30 -8.064 4.335 -8.568 1.00 15.21 O ATOM 0 H ASP A 30 -6.116 1.548 -10.080 1.00 55.42 H new ATOM 0 HA ASP A 30 -5.285 1.193 -7.310 1.00 70.53 H new ATOM 0 HB2 ASP A 30 -6.258 3.453 -7.057 1.00 74.00 H new ATOM 0 HB3 ASP A 30 -5.086 3.386 -8.357 1.00 74.00 H new ATOM 482 N GLN A 31 -8.344 0.671 -8.291 1.00 12.33 N ATOM 483 CA GLN A 31 -9.671 0.126 -7.964 1.00 3.21 C ATOM 484 C GLN A 31 -9.648 -1.421 -7.955 1.00 63.21 C ATOM 485 O GLN A 31 -10.694 -2.060 -7.796 1.00 42.33 O ATOM 486 CB GLN A 31 -10.682 0.646 -9.022 1.00 55.32 C ATOM 487 CG GLN A 31 -10.633 2.175 -9.243 1.00 24.15 C ATOM 488 CD GLN A 31 -11.363 2.626 -10.508 1.00 41.52 C ATOM 489 OE1 GLN A 31 -12.538 2.997 -10.470 1.00 44.54 O ATOM 490 NE2 GLN A 31 -10.681 2.547 -11.650 1.00 44.42 N ATOM 0 H GLN A 31 -8.200 0.793 -9.293 1.00 12.33 H new ATOM 0 HA GLN A 31 -9.966 0.453 -6.967 1.00 3.21 H new ATOM 0 HB2 GLN A 31 -10.488 0.146 -9.971 1.00 55.32 H new ATOM 0 HB3 GLN A 31 -11.690 0.366 -8.715 1.00 55.32 H new ATOM 0 HG2 GLN A 31 -11.073 2.674 -8.380 1.00 24.15 H new ATOM 0 HG3 GLN A 31 -9.592 2.494 -9.299 1.00 24.15 H new ATOM 0 HE21 GLN A 31 -9.710 2.236 -11.643 1.00 44.42 H new ATOM 0 HE22 GLN A 31 -11.130 2.798 -12.531 1.00 44.42 H new ATOM 499 N THR A 32 -8.462 -2.017 -8.167 1.00 44.41 N ATOM 500 CA THR A 32 -8.266 -3.474 -8.094 1.00 21.31 C ATOM 501 C THR A 32 -7.978 -3.899 -6.640 1.00 53.44 C ATOM 502 O THR A 32 -7.069 -3.336 -6.022 1.00 50.23 O ATOM 503 CB THR A 32 -7.092 -3.918 -9.025 1.00 43.31 C ATOM 504 OG1 THR A 32 -7.476 -3.693 -10.380 1.00 32.31 O ATOM 505 CG2 THR A 32 -6.686 -5.392 -8.846 1.00 4.23 C ATOM 0 H THR A 32 -7.612 -1.501 -8.394 1.00 44.41 H new ATOM 0 HA THR A 32 -9.180 -3.962 -8.432 1.00 21.31 H new ATOM 0 HB THR A 32 -6.220 -3.324 -8.751 1.00 43.31 H new ATOM 0 HG1 THR A 32 -6.747 -3.966 -10.976 1.00 32.31 H new ATOM 0 HG21 THR A 32 -5.866 -5.628 -9.524 1.00 4.23 H new ATOM 0 HG22 THR A 32 -6.366 -5.559 -7.818 1.00 4.23 H new ATOM 0 HG23 THR A 32 -7.538 -6.034 -9.069 1.00 4.23 H new ATOM 513 N PRO A 33 -8.761 -4.874 -6.065 1.00 44.43 N ATOM 514 CA PRO A 33 -8.510 -5.398 -4.706 1.00 22.31 C ATOM 515 C PRO A 33 -7.204 -6.223 -4.656 1.00 42.00 C ATOM 516 O PRO A 33 -7.131 -7.347 -5.170 1.00 64.50 O ATOM 517 CB PRO A 33 -9.772 -6.244 -4.404 1.00 43.33 C ATOM 518 CG PRO A 33 -10.341 -6.606 -5.738 1.00 2.12 C ATOM 519 CD PRO A 33 -9.955 -5.501 -6.693 1.00 13.01 C ATOM 0 HA PRO A 33 -8.360 -4.617 -3.961 1.00 22.31 H new ATOM 0 HB2 PRO A 33 -9.518 -7.136 -3.831 1.00 43.33 H new ATOM 0 HB3 PRO A 33 -10.491 -5.678 -3.812 1.00 43.33 H new ATOM 0 HG2 PRO A 33 -9.949 -7.565 -6.078 1.00 2.12 H new ATOM 0 HG3 PRO A 33 -11.425 -6.707 -5.681 1.00 2.12 H new ATOM 0 HD2 PRO A 33 -9.724 -5.894 -7.683 1.00 13.01 H new ATOM 0 HD3 PRO A 33 -10.764 -4.781 -6.816 1.00 13.01 H new ATOM 527 N LEU A 34 -6.176 -5.635 -4.019 1.00 71.23 N ATOM 528 CA LEU A 34 -4.805 -6.176 -3.985 1.00 55.41 C ATOM 529 C LEU A 34 -4.772 -7.549 -3.278 1.00 42.32 C ATOM 530 O LEU A 34 -4.259 -8.520 -3.843 1.00 40.32 O ATOM 531 CB LEU A 34 -3.809 -5.193 -3.288 1.00 65.51 C ATOM 532 CG LEU A 34 -3.457 -3.828 -3.997 1.00 31.44 C ATOM 533 CD1 LEU A 34 -2.889 -4.019 -5.423 1.00 33.15 C ATOM 534 CD2 LEU A 34 -4.622 -2.841 -4.005 1.00 44.44 C ATOM 0 H LEU A 34 -6.275 -4.759 -3.506 1.00 71.23 H new ATOM 0 HA LEU A 34 -4.486 -6.302 -5.020 1.00 55.41 H new ATOM 0 HB2 LEU A 34 -4.214 -4.957 -2.304 1.00 65.51 H new ATOM 0 HB3 LEU A 34 -2.875 -5.731 -3.128 1.00 65.51 H new ATOM 0 HG LEU A 34 -2.667 -3.391 -3.387 1.00 31.44 H new ATOM 0 HD11 LEU A 34 -2.666 -3.045 -5.859 1.00 33.15 H new ATOM 0 HD12 LEU A 34 -1.976 -4.613 -5.375 1.00 33.15 H new ATOM 0 HD13 LEU A 34 -3.624 -4.534 -6.042 1.00 33.15 H new ATOM 0 HD21 LEU A 34 -4.317 -1.922 -4.506 1.00 44.44 H new ATOM 0 HD22 LEU A 34 -5.467 -3.280 -4.535 1.00 44.44 H new ATOM 0 HD23 LEU A 34 -4.914 -2.615 -2.980 1.00 44.44 H new ATOM 546 N LEU A 35 -5.323 -7.622 -2.044 1.00 52.24 N ATOM 547 CA LEU A 35 -5.371 -8.889 -1.250 1.00 41.32 C ATOM 548 C LEU A 35 -6.094 -10.013 -2.019 1.00 55.54 C ATOM 549 O LEU A 35 -5.594 -11.143 -2.088 1.00 62.34 O ATOM 550 CB LEU A 35 -6.060 -8.693 0.141 1.00 51.43 C ATOM 551 CG LEU A 35 -5.170 -8.132 1.299 1.00 53.01 C ATOM 552 CD1 LEU A 35 -3.992 -9.080 1.640 1.00 22.30 C ATOM 553 CD2 LEU A 35 -4.666 -6.719 0.996 1.00 52.04 C ATOM 0 H LEU A 35 -5.743 -6.822 -1.570 1.00 52.24 H new ATOM 0 HA LEU A 35 -4.333 -9.177 -1.084 1.00 41.32 H new ATOM 0 HB2 LEU A 35 -6.907 -8.020 0.008 1.00 51.43 H new ATOM 0 HB3 LEU A 35 -6.463 -9.655 0.458 1.00 51.43 H new ATOM 0 HG LEU A 35 -5.809 -8.074 2.180 1.00 53.01 H new ATOM 0 HD11 LEU A 35 -3.401 -8.650 2.449 1.00 22.30 H new ATOM 0 HD12 LEU A 35 -4.383 -10.049 1.951 1.00 22.30 H new ATOM 0 HD13 LEU A 35 -3.362 -9.209 0.760 1.00 22.30 H new ATOM 0 HD21 LEU A 35 -4.052 -6.366 1.825 1.00 52.04 H new ATOM 0 HD22 LEU A 35 -4.070 -6.733 0.083 1.00 52.04 H new ATOM 0 HD23 LEU A 35 -5.516 -6.050 0.864 1.00 52.04 H new ATOM 565 N GLU A 36 -7.265 -9.668 -2.588 1.00 71.23 N ATOM 566 CA GLU A 36 -8.159 -10.623 -3.286 1.00 30.24 C ATOM 567 C GLU A 36 -7.480 -11.233 -4.528 1.00 1.33 C ATOM 568 O GLU A 36 -7.656 -12.422 -4.814 1.00 31.31 O ATOM 569 CB GLU A 36 -9.498 -9.927 -3.686 1.00 63.24 C ATOM 570 CG GLU A 36 -10.551 -10.857 -4.316 1.00 5.51 C ATOM 571 CD GLU A 36 -11.806 -10.112 -4.808 1.00 70.13 C ATOM 572 OE1 GLU A 36 -12.750 -9.909 -4.015 1.00 21.34 O ATOM 573 OE2 GLU A 36 -11.848 -9.707 -5.992 1.00 2.02 O ATOM 0 H GLU A 36 -7.623 -8.713 -2.578 1.00 71.23 H new ATOM 0 HA GLU A 36 -8.377 -11.436 -2.593 1.00 30.24 H new ATOM 0 HB2 GLU A 36 -9.929 -9.464 -2.798 1.00 63.24 H new ATOM 0 HB3 GLU A 36 -9.277 -9.124 -4.389 1.00 63.24 H new ATOM 0 HG2 GLU A 36 -10.101 -11.389 -5.154 1.00 5.51 H new ATOM 0 HG3 GLU A 36 -10.847 -11.608 -3.584 1.00 5.51 H new ATOM 580 N TRP A 37 -6.668 -10.421 -5.230 1.00 3.11 N ATOM 581 CA TRP A 37 -5.937 -10.870 -6.445 1.00 33.05 C ATOM 582 C TRP A 37 -4.612 -11.579 -6.069 1.00 73.51 C ATOM 583 O TRP A 37 -3.858 -12.003 -6.951 1.00 61.34 O ATOM 584 CB TRP A 37 -5.686 -9.662 -7.393 1.00 51.03 C ATOM 585 CG TRP A 37 -6.911 -9.189 -8.158 1.00 23.31 C ATOM 586 CD1 TRP A 37 -8.143 -8.894 -7.645 1.00 22.24 C ATOM 587 CD2 TRP A 37 -7.008 -8.942 -9.577 1.00 63.42 C ATOM 588 NE1 TRP A 37 -8.989 -8.486 -8.638 1.00 72.34 N ATOM 589 CE2 TRP A 37 -8.322 -8.503 -9.834 1.00 34.31 C ATOM 590 CE3 TRP A 37 -6.112 -9.045 -10.647 1.00 44.21 C ATOM 591 CZ2 TRP A 37 -8.763 -8.176 -11.117 1.00 52.41 C ATOM 592 CZ3 TRP A 37 -6.552 -8.716 -11.917 1.00 33.41 C ATOM 593 CH2 TRP A 37 -7.863 -8.284 -12.143 1.00 2.24 C ATOM 0 H TRP A 37 -6.497 -9.447 -4.981 1.00 3.11 H new ATOM 0 HA TRP A 37 -6.553 -11.598 -6.973 1.00 33.05 H new ATOM 0 HB2 TRP A 37 -5.299 -8.830 -6.804 1.00 51.03 H new ATOM 0 HB3 TRP A 37 -4.910 -9.935 -8.109 1.00 51.03 H new ATOM 0 HD1 TRP A 37 -8.410 -8.972 -6.602 1.00 22.24 H new ATOM 0 HE1 TRP A 37 -9.963 -8.212 -8.509 1.00 72.34 H new ATOM 0 HE3 TRP A 37 -5.097 -9.375 -10.485 1.00 44.21 H new ATOM 0 HZ2 TRP A 37 -9.777 -7.850 -11.294 1.00 52.41 H new ATOM 0 HZ3 TRP A 37 -5.870 -8.794 -12.750 1.00 33.41 H new ATOM 0 HH2 TRP A 37 -8.171 -8.031 -13.147 1.00 2.24 H new ATOM 604 N GLY A 38 -4.351 -11.711 -4.753 1.00 40.24 N ATOM 605 CA GLY A 38 -3.139 -12.358 -4.245 1.00 41.31 C ATOM 606 C GLY A 38 -1.872 -11.551 -4.504 1.00 40.52 C ATOM 607 O GLY A 38 -0.762 -12.092 -4.516 1.00 43.42 O ATOM 0 H GLY A 38 -4.975 -11.372 -4.021 1.00 40.24 H new ATOM 0 HA2 GLY A 38 -3.245 -12.521 -3.173 1.00 41.31 H new ATOM 0 HA3 GLY A 38 -3.038 -13.339 -4.708 1.00 41.31 H new ATOM 611 N ILE A 39 -2.052 -10.235 -4.686 1.00 51.55 N ATOM 612 CA ILE A 39 -0.966 -9.293 -4.959 1.00 31.13 C ATOM 613 C ILE A 39 -0.190 -9.026 -3.662 1.00 55.03 C ATOM 614 O ILE A 39 1.019 -8.839 -3.688 1.00 72.01 O ATOM 615 CB ILE A 39 -1.541 -7.958 -5.584 1.00 43.42 C ATOM 616 CG1 ILE A 39 -2.261 -8.246 -6.953 1.00 73.41 C ATOM 617 CG2 ILE A 39 -0.453 -6.877 -5.748 1.00 2.40 C ATOM 618 CD1 ILE A 39 -2.931 -7.040 -7.606 1.00 23.15 C ATOM 0 H ILE A 39 -2.970 -9.793 -4.646 1.00 51.55 H new ATOM 0 HA ILE A 39 -0.279 -9.721 -5.688 1.00 31.13 H new ATOM 0 HB ILE A 39 -2.278 -7.565 -4.883 1.00 43.42 H new ATOM 0 HG12 ILE A 39 -1.530 -8.656 -7.650 1.00 73.41 H new ATOM 0 HG13 ILE A 39 -3.015 -9.017 -6.793 1.00 73.41 H new ATOM 0 HG21 ILE A 39 -0.894 -5.979 -6.180 1.00 2.40 H new ATOM 0 HG22 ILE A 39 -0.027 -6.639 -4.773 1.00 2.40 H new ATOM 0 HG23 ILE A 39 0.332 -7.248 -6.406 1.00 2.40 H new ATOM 0 HD11 ILE A 39 -3.397 -7.346 -8.543 1.00 23.15 H new ATOM 0 HD12 ILE A 39 -3.692 -6.639 -6.936 1.00 23.15 H new ATOM 0 HD13 ILE A 39 -2.183 -6.273 -7.806 1.00 23.15 H new ATOM 630 N LEU A 40 -0.910 -9.056 -2.523 1.00 3.23 N ATOM 631 CA LEU A 40 -0.330 -8.845 -1.182 1.00 71.21 C ATOM 632 C LEU A 40 -0.560 -10.065 -0.296 1.00 41.34 C ATOM 633 O LEU A 40 -1.663 -10.623 -0.283 1.00 73.01 O ATOM 634 CB LEU A 40 -0.970 -7.596 -0.518 1.00 40.13 C ATOM 635 CG LEU A 40 -0.871 -6.272 -1.329 1.00 14.44 C ATOM 636 CD1 LEU A 40 -1.536 -5.101 -0.577 1.00 71.02 C ATOM 637 CD2 LEU A 40 0.583 -5.947 -1.691 1.00 71.30 C ATOM 0 H LEU A 40 -1.915 -9.228 -2.508 1.00 3.23 H new ATOM 0 HA LEU A 40 0.743 -8.690 -1.294 1.00 71.21 H new ATOM 0 HB2 LEU A 40 -2.023 -7.807 -0.330 1.00 40.13 H new ATOM 0 HB3 LEU A 40 -0.498 -7.442 0.452 1.00 40.13 H new ATOM 0 HG LEU A 40 -1.418 -6.417 -2.261 1.00 14.44 H new ATOM 0 HD11 LEU A 40 -1.449 -4.191 -1.171 1.00 71.02 H new ATOM 0 HD12 LEU A 40 -2.589 -5.327 -0.411 1.00 71.02 H new ATOM 0 HD13 LEU A 40 -1.040 -4.956 0.383 1.00 71.02 H new ATOM 0 HD21 LEU A 40 0.618 -5.016 -2.257 1.00 71.30 H new ATOM 0 HD22 LEU A 40 1.170 -5.839 -0.779 1.00 71.30 H new ATOM 0 HD23 LEU A 40 0.997 -6.755 -2.295 1.00 71.30 H new ATOM 649 N ASN A 41 0.498 -10.451 0.442 1.00 61.22 N ATOM 650 CA ASN A 41 0.467 -11.509 1.472 1.00 70.25 C ATOM 651 C ASN A 41 1.818 -11.493 2.229 1.00 64.01 C ATOM 652 O ASN A 41 2.770 -10.872 1.736 1.00 24.34 O ATOM 653 CB ASN A 41 0.167 -12.907 0.847 1.00 62.22 C ATOM 654 CG ASN A 41 -0.198 -13.978 1.877 1.00 2.20 C ATOM 655 OD1 ASN A 41 0.663 -14.734 2.338 1.00 75.14 O ATOM 656 ND2 ASN A 41 -1.470 -14.022 2.272 1.00 72.45 N ATOM 0 H ASN A 41 1.420 -10.027 0.337 1.00 61.22 H new ATOM 0 HA ASN A 41 -0.342 -11.314 2.175 1.00 70.25 H new ATOM 0 HB2 ASN A 41 -0.651 -12.808 0.134 1.00 62.22 H new ATOM 0 HB3 ASN A 41 1.040 -13.239 0.286 1.00 62.22 H new ATOM 0 HD21 ASN A 41 -1.761 -14.697 2.979 1.00 72.45 H new ATOM 0 HD22 ASN A 41 -2.152 -13.381 1.867 1.00 72.45 H new ATOM 663 N SER A 42 1.859 -12.151 3.430 1.00 61.24 N ATOM 664 CA SER A 42 2.991 -12.149 4.428 1.00 2.31 C ATOM 665 C SER A 42 4.372 -11.747 3.887 1.00 54.30 C ATOM 666 O SER A 42 5.002 -10.816 4.405 1.00 43.12 O ATOM 667 CB SER A 42 3.089 -13.551 5.074 1.00 34.55 C ATOM 668 OG SER A 42 4.099 -13.614 6.081 1.00 4.52 O ATOM 0 H SER A 42 1.075 -12.722 3.746 1.00 61.24 H new ATOM 0 HA SER A 42 2.735 -11.370 5.146 1.00 2.31 H new ATOM 0 HB2 SER A 42 2.126 -13.815 5.511 1.00 34.55 H new ATOM 0 HB3 SER A 42 3.302 -14.290 4.302 1.00 34.55 H new ATOM 673 N MET A 43 4.804 -12.450 2.838 1.00 23.21 N ATOM 674 CA MET A 43 6.165 -12.369 2.295 1.00 13.31 C ATOM 675 C MET A 43 6.488 -10.949 1.829 1.00 52.23 C ATOM 676 O MET A 43 7.518 -10.371 2.204 1.00 34.42 O ATOM 677 CB MET A 43 6.332 -13.343 1.102 1.00 70.34 C ATOM 678 CG MET A 43 5.843 -14.768 1.368 1.00 51.53 C ATOM 679 SD MET A 43 4.036 -14.918 1.418 1.00 4.40 S ATOM 680 CE MET A 43 3.532 -14.191 -0.145 1.00 4.22 C ATOM 0 H MET A 43 4.208 -13.104 2.331 1.00 23.21 H new ATOM 0 HA MET A 43 6.854 -12.646 3.093 1.00 13.31 H new ATOM 0 HB2 MET A 43 5.792 -12.942 0.245 1.00 70.34 H new ATOM 0 HB3 MET A 43 7.386 -13.380 0.826 1.00 70.34 H new ATOM 0 HG2 MET A 43 6.233 -15.428 0.593 1.00 51.53 H new ATOM 0 HG3 MET A 43 6.254 -15.113 2.317 1.00 51.53 H new ATOM 0 HE1 MET A 43 2.619 -14.674 -0.494 1.00 4.22 H new ATOM 0 HE2 MET A 43 3.349 -13.125 -0.008 1.00 4.22 H new ATOM 0 HE3 MET A 43 4.322 -14.332 -0.883 1.00 4.22 H new ATOM 690 N ASN A 44 5.576 -10.382 1.022 1.00 51.43 N ATOM 691 CA ASN A 44 5.795 -9.092 0.348 1.00 40.30 C ATOM 692 C ASN A 44 4.962 -7.944 0.959 1.00 1.43 C ATOM 693 O ASN A 44 5.152 -6.778 0.597 1.00 11.00 O ATOM 694 CB ASN A 44 5.542 -9.227 -1.175 1.00 52.10 C ATOM 695 CG ASN A 44 4.089 -9.462 -1.593 1.00 11.41 C ATOM 696 OD1 ASN A 44 3.306 -10.076 -0.872 1.00 0.24 O ATOM 697 ND2 ASN A 44 3.725 -8.966 -2.774 1.00 62.22 N ATOM 0 H ASN A 44 4.669 -10.803 0.819 1.00 51.43 H new ATOM 0 HA ASN A 44 6.839 -8.822 0.506 1.00 40.30 H new ATOM 0 HB2 ASN A 44 5.899 -8.321 -1.665 1.00 52.10 H new ATOM 0 HB3 ASN A 44 6.146 -10.052 -1.552 1.00 52.10 H new ATOM 0 HD21 ASN A 44 2.769 -9.091 -3.107 1.00 62.22 H new ATOM 0 HD22 ASN A 44 4.402 -8.462 -3.346 1.00 62.22 H new ATOM 704 N ILE A 45 4.089 -8.263 1.922 1.00 3.01 N ATOM 705 CA ILE A 45 3.195 -7.260 2.556 1.00 0.00 C ATOM 706 C ILE A 45 3.989 -6.339 3.522 1.00 41.31 C ATOM 707 O ILE A 45 3.579 -5.211 3.813 1.00 62.20 O ATOM 708 CB ILE A 45 1.994 -7.979 3.292 1.00 33.24 C ATOM 709 CG1 ILE A 45 0.738 -7.055 3.426 1.00 10.21 C ATOM 710 CG2 ILE A 45 2.420 -8.541 4.675 1.00 35.44 C ATOM 711 CD1 ILE A 45 -0.527 -7.796 3.846 1.00 23.23 C ATOM 0 H ILE A 45 3.975 -9.209 2.287 1.00 3.01 H new ATOM 0 HA ILE A 45 2.777 -6.625 1.775 1.00 0.00 H new ATOM 0 HB ILE A 45 1.709 -8.821 2.662 1.00 33.24 H new ATOM 0 HG12 ILE A 45 0.949 -6.273 4.155 1.00 10.21 H new ATOM 0 HG13 ILE A 45 0.559 -6.560 2.471 1.00 10.21 H new ATOM 0 HG21 ILE A 45 1.567 -9.027 5.149 1.00 35.44 H new ATOM 0 HG22 ILE A 45 3.223 -9.266 4.541 1.00 35.44 H new ATOM 0 HG23 ILE A 45 2.770 -7.725 5.307 1.00 35.44 H new ATOM 0 HD11 ILE A 45 -1.355 -7.091 3.918 1.00 23.23 H new ATOM 0 HD12 ILE A 45 -0.764 -8.560 3.105 1.00 23.23 H new ATOM 0 HD13 ILE A 45 -0.367 -8.268 4.815 1.00 23.23 H new ATOM 723 N VAL A 46 5.156 -6.843 3.975 1.00 32.11 N ATOM 724 CA VAL A 46 6.064 -6.141 4.908 1.00 12.41 C ATOM 725 C VAL A 46 6.851 -5.021 4.184 1.00 73.11 C ATOM 726 O VAL A 46 7.311 -4.051 4.804 1.00 1.11 O ATOM 727 CB VAL A 46 7.033 -7.178 5.585 1.00 12.33 C ATOM 728 CG1 VAL A 46 7.945 -6.523 6.642 1.00 61.33 C ATOM 729 CG2 VAL A 46 6.230 -8.343 6.211 1.00 44.24 C ATOM 0 H VAL A 46 5.500 -7.763 3.699 1.00 32.11 H new ATOM 0 HA VAL A 46 5.469 -5.662 5.686 1.00 12.41 H new ATOM 0 HB VAL A 46 7.680 -7.572 4.801 1.00 12.33 H new ATOM 0 HG11 VAL A 46 8.595 -7.280 7.081 1.00 61.33 H new ATOM 0 HG12 VAL A 46 8.553 -5.751 6.170 1.00 61.33 H new ATOM 0 HG13 VAL A 46 7.332 -6.074 7.424 1.00 61.33 H new ATOM 0 HG21 VAL A 46 6.917 -9.051 6.675 1.00 44.24 H new ATOM 0 HG22 VAL A 46 5.549 -7.951 6.966 1.00 44.24 H new ATOM 0 HG23 VAL A 46 5.658 -8.849 5.434 1.00 44.24 H new ATOM 739 N LYS A 47 6.949 -5.156 2.853 1.00 73.10 N ATOM 740 CA LYS A 47 7.623 -4.170 1.983 1.00 62.04 C ATOM 741 C LYS A 47 6.862 -2.835 2.009 1.00 50.44 C ATOM 742 O LYS A 47 7.470 -1.770 1.919 1.00 71.25 O ATOM 743 CB LYS A 47 7.751 -4.685 0.520 1.00 32.21 C ATOM 744 CG LYS A 47 8.836 -5.755 0.275 1.00 23.31 C ATOM 745 CD LYS A 47 8.622 -7.042 1.090 1.00 32.53 C ATOM 746 CE LYS A 47 9.603 -8.158 0.717 1.00 11.55 C ATOM 747 NZ LYS A 47 11.009 -7.784 0.991 1.00 40.51 N ATOM 0 H LYS A 47 6.564 -5.952 2.345 1.00 73.10 H new ATOM 0 HA LYS A 47 8.631 -4.020 2.371 1.00 62.04 H new ATOM 0 HB2 LYS A 47 6.788 -5.095 0.214 1.00 32.21 H new ATOM 0 HB3 LYS A 47 7.955 -3.833 -0.128 1.00 32.21 H new ATOM 0 HG2 LYS A 47 8.856 -6.005 -0.786 1.00 23.31 H new ATOM 0 HG3 LYS A 47 9.811 -5.336 0.522 1.00 23.31 H new ATOM 0 HD2 LYS A 47 8.725 -6.815 2.151 1.00 32.53 H new ATOM 0 HD3 LYS A 47 7.602 -7.396 0.938 1.00 32.53 H new ATOM 0 HE2 LYS A 47 9.354 -9.060 1.276 1.00 11.55 H new ATOM 0 HE3 LYS A 47 9.492 -8.398 -0.341 1.00 11.55 H new ATOM 0 HZ1 LYS A 47 11.634 -8.576 0.739 1.00 40.51 H new ATOM 0 HZ2 LYS A 47 11.263 -6.949 0.425 1.00 40.51 H new ATOM 0 HZ3 LYS A 47 11.119 -7.564 2.002 1.00 40.51 H new ATOM 761 N LEU A 48 5.526 -2.913 2.133 1.00 72.22 N ATOM 762 CA LEU A 48 4.663 -1.722 2.260 1.00 62.31 C ATOM 763 C LEU A 48 4.916 -1.017 3.603 1.00 53.23 C ATOM 764 O LEU A 48 5.052 0.204 3.649 1.00 42.24 O ATOM 765 CB LEU A 48 3.155 -2.085 2.126 1.00 63.15 C ATOM 766 CG LEU A 48 2.649 -2.534 0.709 1.00 72.33 C ATOM 767 CD1 LEU A 48 3.045 -1.515 -0.395 1.00 21.54 C ATOM 768 CD2 LEU A 48 3.115 -3.964 0.350 1.00 71.42 C ATOM 0 H LEU A 48 5.015 -3.796 2.148 1.00 72.22 H new ATOM 0 HA LEU A 48 4.918 -1.046 1.444 1.00 62.31 H new ATOM 0 HB2 LEU A 48 2.936 -2.886 2.832 1.00 63.15 H new ATOM 0 HB3 LEU A 48 2.570 -1.219 2.435 1.00 63.15 H new ATOM 0 HG LEU A 48 1.560 -2.555 0.759 1.00 72.33 H new ATOM 0 HD11 LEU A 48 2.676 -1.863 -1.360 1.00 21.54 H new ATOM 0 HD12 LEU A 48 2.606 -0.543 -0.168 1.00 21.54 H new ATOM 0 HD13 LEU A 48 4.130 -1.423 -0.433 1.00 21.54 H new ATOM 0 HD21 LEU A 48 2.741 -4.231 -0.638 1.00 71.42 H new ATOM 0 HD22 LEU A 48 4.204 -4.002 0.348 1.00 71.42 H new ATOM 0 HD23 LEU A 48 2.728 -4.668 1.087 1.00 71.42 H new ATOM 780 N MET A 49 5.031 -1.816 4.679 1.00 13.31 N ATOM 781 CA MET A 49 5.190 -1.300 6.060 1.00 73.24 C ATOM 782 C MET A 49 6.426 -0.381 6.163 1.00 64.34 C ATOM 783 O MET A 49 6.349 0.726 6.701 1.00 72.14 O ATOM 784 CB MET A 49 5.343 -2.466 7.086 1.00 1.44 C ATOM 785 CG MET A 49 4.274 -3.576 7.036 1.00 24.10 C ATOM 786 SD MET A 49 4.673 -4.928 8.181 1.00 14.12 S ATOM 787 CE MET A 49 3.557 -6.246 7.686 1.00 32.20 C ATOM 0 H MET A 49 5.017 -2.834 4.621 1.00 13.31 H new ATOM 0 HA MET A 49 4.290 -0.732 6.296 1.00 73.24 H new ATOM 0 HB2 MET A 49 6.319 -2.927 6.935 1.00 1.44 H new ATOM 0 HB3 MET A 49 5.344 -2.039 8.089 1.00 1.44 H new ATOM 0 HG2 MET A 49 3.300 -3.157 7.289 1.00 24.10 H new ATOM 0 HG3 MET A 49 4.199 -3.966 6.021 1.00 24.10 H new ATOM 0 HE1 MET A 49 3.215 -6.785 8.570 1.00 32.20 H new ATOM 0 HE2 MET A 49 2.699 -5.820 7.166 1.00 32.20 H new ATOM 0 HE3 MET A 49 4.079 -6.934 7.021 1.00 32.20 H new ATOM 797 N VAL A 50 7.555 -0.871 5.615 1.00 33.44 N ATOM 798 CA VAL A 50 8.853 -0.151 5.605 1.00 3.14 C ATOM 799 C VAL A 50 8.860 1.013 4.574 1.00 41.14 C ATOM 800 O VAL A 50 9.521 2.038 4.789 1.00 2.53 O ATOM 801 CB VAL A 50 10.050 -1.154 5.328 1.00 34.52 C ATOM 802 CG1 VAL A 50 9.913 -1.865 3.966 1.00 74.51 C ATOM 803 CG2 VAL A 50 11.434 -0.470 5.434 1.00 62.21 C ATOM 0 H VAL A 50 7.597 -1.784 5.162 1.00 33.44 H new ATOM 0 HA VAL A 50 8.990 0.288 6.593 1.00 3.14 H new ATOM 0 HB VAL A 50 9.988 -1.907 6.113 1.00 34.52 H new ATOM 0 HG11 VAL A 50 10.756 -2.541 3.822 1.00 74.51 H new ATOM 0 HG12 VAL A 50 8.984 -2.434 3.945 1.00 74.51 H new ATOM 0 HG13 VAL A 50 9.903 -1.123 3.168 1.00 74.51 H new ATOM 0 HG21 VAL A 50 12.217 -1.201 5.235 1.00 62.21 H new ATOM 0 HG22 VAL A 50 11.498 0.337 4.704 1.00 62.21 H new ATOM 0 HG23 VAL A 50 11.563 -0.063 6.437 1.00 62.21 H new ATOM 813 N TYR A 51 8.087 0.861 3.478 1.00 13.54 N ATOM 814 CA TYR A 51 8.065 1.841 2.357 1.00 52.31 C ATOM 815 C TYR A 51 7.422 3.159 2.794 1.00 13.31 C ATOM 816 O TYR A 51 8.009 4.229 2.634 1.00 55.41 O ATOM 817 CB TYR A 51 7.302 1.280 1.135 1.00 64.32 C ATOM 818 CG TYR A 51 7.354 2.180 -0.119 1.00 24.02 C ATOM 819 CD1 TYR A 51 8.503 2.236 -0.915 1.00 32.54 C ATOM 820 CD2 TYR A 51 6.264 2.958 -0.509 1.00 1.31 C ATOM 821 CE1 TYR A 51 8.557 3.027 -2.046 1.00 12.43 C ATOM 822 CE2 TYR A 51 6.317 3.753 -1.639 1.00 34.41 C ATOM 823 CZ TYR A 51 7.460 3.785 -2.404 1.00 2.12 C ATOM 824 OH TYR A 51 7.507 4.575 -3.532 1.00 42.24 O ATOM 0 H TYR A 51 7.464 0.065 3.340 1.00 13.54 H new ATOM 0 HA TYR A 51 9.101 2.025 2.071 1.00 52.31 H new ATOM 0 HB2 TYR A 51 7.713 0.303 0.883 1.00 64.32 H new ATOM 0 HB3 TYR A 51 6.259 1.125 1.413 1.00 64.32 H new ATOM 0 HD1 TYR A 51 9.366 1.648 -0.639 1.00 32.54 H new ATOM 0 HD2 TYR A 51 5.361 2.939 0.083 1.00 1.31 H new ATOM 0 HE1 TYR A 51 9.453 3.052 -2.648 1.00 12.43 H new ATOM 0 HE2 TYR A 51 5.461 4.349 -1.921 1.00 34.41 H new ATOM 0 HH TYR A 51 7.663 5.507 -3.272 1.00 42.24 H new ATOM 834 N ILE A 52 6.198 3.053 3.327 1.00 50.01 N ATOM 835 CA ILE A 52 5.432 4.216 3.795 1.00 54.24 C ATOM 836 C ILE A 52 6.137 4.851 5.022 1.00 72.21 C ATOM 837 O ILE A 52 6.126 6.073 5.204 1.00 61.12 O ATOM 838 CB ILE A 52 3.917 3.848 4.110 1.00 52.32 C ATOM 839 CG1 ILE A 52 3.085 3.496 2.817 1.00 1.25 C ATOM 840 CG2 ILE A 52 3.214 4.989 4.848 1.00 44.24 C ATOM 841 CD1 ILE A 52 3.378 2.166 2.165 1.00 72.13 C ATOM 0 H ILE A 52 5.713 2.164 3.446 1.00 50.01 H new ATOM 0 HA ILE A 52 5.404 4.952 2.991 1.00 54.24 H new ATOM 0 HB ILE A 52 3.958 2.960 4.741 1.00 52.32 H new ATOM 0 HG12 ILE A 52 2.026 3.523 3.075 1.00 1.25 H new ATOM 0 HG13 ILE A 52 3.253 4.281 2.080 1.00 1.25 H new ATOM 0 HG21 ILE A 52 2.180 4.709 5.050 1.00 44.24 H new ATOM 0 HG22 ILE A 52 3.728 5.184 5.789 1.00 44.24 H new ATOM 0 HG23 ILE A 52 3.233 5.887 4.231 1.00 44.24 H new ATOM 0 HD11 ILE A 52 2.742 2.043 1.288 1.00 72.13 H new ATOM 0 HD12 ILE A 52 4.425 2.132 1.862 1.00 72.13 H new ATOM 0 HD13 ILE A 52 3.179 1.362 2.873 1.00 72.13 H new ATOM 853 N ARG A 53 6.806 3.990 5.817 1.00 20.23 N ATOM 854 CA ARG A 53 7.626 4.407 6.981 1.00 43.01 C ATOM 855 C ARG A 53 8.820 5.289 6.561 1.00 73.11 C ATOM 856 O ARG A 53 9.237 6.175 7.306 1.00 62.41 O ATOM 857 CB ARG A 53 8.127 3.151 7.733 1.00 70.33 C ATOM 858 CG ARG A 53 8.930 3.414 9.026 1.00 1.41 C ATOM 859 CD ARG A 53 9.333 2.110 9.736 1.00 2.01 C ATOM 860 NE ARG A 53 9.991 2.367 11.025 1.00 54.13 N ATOM 861 CZ ARG A 53 9.664 1.796 12.191 1.00 41.30 C ATOM 862 NH1 ARG A 53 8.679 0.906 12.264 1.00 23.53 N ATOM 863 NH2 ARG A 53 10.328 2.135 13.291 1.00 4.30 N ATOM 0 H ARG A 53 6.794 2.981 5.671 1.00 20.23 H new ATOM 0 HA ARG A 53 6.998 5.008 7.639 1.00 43.01 H new ATOM 0 HB2 ARG A 53 7.265 2.533 7.983 1.00 70.33 H new ATOM 0 HB3 ARG A 53 8.750 2.569 7.054 1.00 70.33 H new ATOM 0 HG2 ARG A 53 9.826 3.986 8.785 1.00 1.41 H new ATOM 0 HG3 ARG A 53 8.334 4.025 9.704 1.00 1.41 H new ATOM 0 HD2 ARG A 53 8.447 1.496 9.897 1.00 2.01 H new ATOM 0 HD3 ARG A 53 10.004 1.540 9.094 1.00 2.01 H new ATOM 0 HE ARG A 53 10.761 3.036 11.032 1.00 54.13 H new ATOM 0 HH11 ARG A 53 8.160 0.649 11.424 1.00 23.53 H new ATOM 0 HH12 ARG A 53 8.442 0.480 13.160 1.00 23.53 H new ATOM 0 HH21 ARG A 53 11.078 2.824 13.242 1.00 4.30 H new ATOM 0 HH22 ARG A 53 10.087 1.706 14.185 1.00 4.30 H new ATOM 877 N ASP A 54 9.362 5.025 5.370 1.00 13.33 N ATOM 878 CA ASP A 54 10.542 5.737 4.840 1.00 35.41 C ATOM 879 C ASP A 54 10.127 7.015 4.079 1.00 53.44 C ATOM 880 O ASP A 54 10.567 8.124 4.406 1.00 41.40 O ATOM 881 CB ASP A 54 11.350 4.789 3.910 1.00 2.53 C ATOM 882 CG ASP A 54 12.573 5.473 3.277 1.00 35.54 C ATOM 883 OD1 ASP A 54 13.542 5.754 4.014 1.00 61.12 O ATOM 884 OD2 ASP A 54 12.563 5.763 2.057 1.00 74.52 O ATOM 0 H ASP A 54 8.999 4.311 4.739 1.00 13.33 H new ATOM 0 HA ASP A 54 11.170 6.040 5.678 1.00 35.41 H new ATOM 0 HB2 ASP A 54 11.680 3.922 4.482 1.00 2.53 H new ATOM 0 HB3 ASP A 54 10.697 4.420 3.120 1.00 2.53 H new ATOM 889 N GLU A 55 9.252 6.829 3.078 1.00 54.32 N ATOM 890 CA GLU A 55 8.857 7.879 2.124 1.00 73.45 C ATOM 891 C GLU A 55 7.900 8.902 2.781 1.00 12.13 C ATOM 892 O GLU A 55 8.194 10.099 2.792 1.00 61.43 O ATOM 893 CB GLU A 55 8.243 7.219 0.850 1.00 33.11 C ATOM 894 CG GLU A 55 7.867 8.213 -0.273 1.00 64.55 C ATOM 895 CD GLU A 55 7.323 7.536 -1.550 1.00 52.32 C ATOM 896 OE1 GLU A 55 6.156 7.097 -1.563 1.00 2.44 O ATOM 897 OE2 GLU A 55 8.057 7.459 -2.560 1.00 63.10 O ATOM 0 H GLU A 55 8.793 5.935 2.906 1.00 54.32 H new ATOM 0 HA GLU A 55 9.739 8.442 1.820 1.00 73.45 H new ATOM 0 HB2 GLU A 55 8.955 6.495 0.453 1.00 33.11 H new ATOM 0 HB3 GLU A 55 7.351 6.663 1.139 1.00 33.11 H new ATOM 0 HG2 GLU A 55 7.117 8.908 0.106 1.00 64.55 H new ATOM 0 HG3 GLU A 55 8.746 8.803 -0.532 1.00 64.55 H new ATOM 904 N MET A 56 6.774 8.426 3.340 1.00 74.04 N ATOM 905 CA MET A 56 5.786 9.302 4.038 1.00 4.01 C ATOM 906 C MET A 56 6.191 9.551 5.505 1.00 15.55 C ATOM 907 O MET A 56 5.698 10.493 6.134 1.00 75.45 O ATOM 908 CB MET A 56 4.353 8.693 3.956 1.00 14.32 C ATOM 909 CG MET A 56 3.617 8.984 2.641 1.00 11.43 C ATOM 910 SD MET A 56 4.531 8.484 1.165 1.00 43.25 S ATOM 911 CE MET A 56 4.389 6.702 1.218 1.00 52.23 C ATOM 0 H MET A 56 6.515 7.439 3.328 1.00 74.04 H new ATOM 0 HA MET A 56 5.780 10.266 3.528 1.00 4.01 H new ATOM 0 HB2 MET A 56 4.422 7.613 4.089 1.00 14.32 H new ATOM 0 HB3 MET A 56 3.759 9.079 4.784 1.00 14.32 H new ATOM 0 HG2 MET A 56 2.656 8.470 2.653 1.00 11.43 H new ATOM 0 HG3 MET A 56 3.407 10.052 2.582 1.00 11.43 H new ATOM 0 HE1 MET A 56 5.380 6.255 1.132 1.00 52.23 H new ATOM 0 HE2 MET A 56 3.936 6.401 2.163 1.00 52.23 H new ATOM 0 HE3 MET A 56 3.765 6.362 0.392 1.00 52.23 H new ATOM 921 N GLY A 57 7.075 8.693 6.040 1.00 33.44 N ATOM 922 CA GLY A 57 7.598 8.849 7.400 1.00 52.23 C ATOM 923 C GLY A 57 6.701 8.262 8.485 1.00 63.02 C ATOM 924 O GLY A 57 6.892 8.560 9.667 1.00 25.15 O ATOM 0 H GLY A 57 7.442 7.880 5.545 1.00 33.44 H new ATOM 0 HA2 GLY A 57 8.577 8.374 7.457 1.00 52.23 H new ATOM 0 HA3 GLY A 57 7.746 9.910 7.601 1.00 52.23 H new ATOM 928 N VAL A 58 5.737 7.411 8.108 1.00 10.04 N ATOM 929 CA VAL A 58 4.769 6.822 9.062 1.00 31.00 C ATOM 930 C VAL A 58 4.695 5.291 8.865 1.00 74.03 C ATOM 931 O VAL A 58 4.386 4.810 7.774 1.00 63.04 O ATOM 932 CB VAL A 58 3.348 7.500 8.922 1.00 23.44 C ATOM 933 CG1 VAL A 58 2.802 7.443 7.472 1.00 51.42 C ATOM 934 CG2 VAL A 58 2.340 6.888 9.915 1.00 12.12 C ATOM 0 H VAL A 58 5.601 7.109 7.143 1.00 10.04 H new ATOM 0 HA VAL A 58 5.115 7.016 10.077 1.00 31.00 H new ATOM 0 HB VAL A 58 3.479 8.553 9.169 1.00 23.44 H new ATOM 0 HG11 VAL A 58 1.824 7.923 7.432 1.00 51.42 H new ATOM 0 HG12 VAL A 58 3.489 7.963 6.804 1.00 51.42 H new ATOM 0 HG13 VAL A 58 2.709 6.403 7.159 1.00 51.42 H new ATOM 0 HG21 VAL A 58 1.371 7.374 9.796 1.00 12.12 H new ATOM 0 HG22 VAL A 58 2.237 5.821 9.718 1.00 12.12 H new ATOM 0 HG23 VAL A 58 2.697 7.036 10.934 1.00 12.12 H new ATOM 944 N SER A 59 5.042 4.530 9.913 1.00 0.03 N ATOM 945 CA SER A 59 4.986 3.067 9.890 1.00 24.12 C ATOM 946 C SER A 59 3.528 2.584 9.933 1.00 72.11 C ATOM 947 O SER A 59 2.684 3.195 10.608 1.00 23.35 O ATOM 948 CB SER A 59 5.766 2.504 11.108 1.00 41.52 C ATOM 949 OG SER A 59 5.890 1.090 11.063 1.00 31.22 O ATOM 0 H SER A 59 5.369 4.915 10.799 1.00 0.03 H new ATOM 0 HA SER A 59 5.441 2.708 8.967 1.00 24.12 H new ATOM 0 HB2 SER A 59 6.759 2.953 11.139 1.00 41.52 H new ATOM 0 HB3 SER A 59 5.257 2.793 12.027 1.00 41.52 H new ATOM 0 HG SER A 59 6.090 0.750 11.960 1.00 31.22 H new ATOM 955 N ILE A 60 3.220 1.516 9.184 1.00 60.33 N ATOM 956 CA ILE A 60 2.019 0.704 9.429 1.00 43.12 C ATOM 957 C ILE A 60 2.360 -0.256 10.582 1.00 33.11 C ATOM 958 O ILE A 60 3.206 -1.142 10.403 1.00 55.45 O ATOM 959 CB ILE A 60 1.563 -0.132 8.165 1.00 54.42 C ATOM 960 CG1 ILE A 60 1.162 0.789 6.964 1.00 0.22 C ATOM 961 CG2 ILE A 60 0.395 -1.087 8.530 1.00 53.54 C ATOM 962 CD1 ILE A 60 -0.201 1.457 7.110 1.00 1.23 C ATOM 0 H ILE A 60 3.788 1.193 8.401 1.00 60.33 H new ATOM 0 HA ILE A 60 1.188 1.368 9.668 1.00 43.12 H new ATOM 0 HB ILE A 60 2.419 -0.728 7.848 1.00 54.42 H new ATOM 0 HG12 ILE A 60 1.921 1.562 6.846 1.00 0.22 H new ATOM 0 HG13 ILE A 60 1.166 0.196 6.050 1.00 0.22 H new ATOM 0 HG21 ILE A 60 0.097 -1.652 7.647 1.00 53.54 H new ATOM 0 HG22 ILE A 60 0.719 -1.777 9.310 1.00 53.54 H new ATOM 0 HG23 ILE A 60 -0.453 -0.504 8.890 1.00 53.54 H new ATOM 0 HD11 ILE A 60 -0.398 2.076 6.235 1.00 1.23 H new ATOM 0 HD12 ILE A 60 -0.973 0.693 7.196 1.00 1.23 H new ATOM 0 HD13 ILE A 60 -0.207 2.081 8.004 1.00 1.23 H new ATOM 974 N PRO A 61 1.759 -0.074 11.793 1.00 71.14 N ATOM 975 CA PRO A 61 2.017 -0.967 12.940 1.00 12.23 C ATOM 976 C PRO A 61 1.355 -2.348 12.754 1.00 44.43 C ATOM 977 O PRO A 61 0.473 -2.522 11.899 1.00 4.41 O ATOM 978 CB PRO A 61 1.418 -0.191 14.134 1.00 75.53 C ATOM 979 CG PRO A 61 0.340 0.655 13.543 1.00 61.32 C ATOM 980 CD PRO A 61 0.786 1.006 12.141 1.00 34.52 C ATOM 0 HA PRO A 61 3.075 -1.193 13.073 1.00 12.23 H new ATOM 0 HB2 PRO A 61 1.018 -0.871 14.886 1.00 75.53 H new ATOM 0 HB3 PRO A 61 2.174 0.420 14.627 1.00 75.53 H new ATOM 0 HG2 PRO A 61 -0.608 0.118 13.525 1.00 61.32 H new ATOM 0 HG3 PRO A 61 0.185 1.556 14.137 1.00 61.32 H new ATOM 0 HD2 PRO A 61 -0.055 1.025 11.447 1.00 34.52 H new ATOM 0 HD3 PRO A 61 1.252 1.991 12.105 1.00 34.52 H new ATOM 988 N SER A 62 1.795 -3.314 13.579 1.00 74.41 N ATOM 989 CA SER A 62 1.309 -4.710 13.539 1.00 54.50 C ATOM 990 C SER A 62 -0.209 -4.776 13.829 1.00 62.43 C ATOM 991 O SER A 62 -0.930 -5.584 13.233 1.00 64.55 O ATOM 992 CB SER A 62 2.128 -5.570 14.537 1.00 62.40 C ATOM 993 OG SER A 62 1.707 -6.920 14.567 1.00 32.24 O ATOM 0 H SER A 62 2.501 -3.151 14.297 1.00 74.41 H new ATOM 0 HA SER A 62 1.455 -5.115 12.538 1.00 54.50 H new ATOM 0 HB2 SER A 62 3.183 -5.529 14.266 1.00 62.40 H new ATOM 0 HB3 SER A 62 2.039 -5.144 15.536 1.00 62.40 H new ATOM 0 HG SER A 62 2.254 -7.419 15.209 1.00 32.24 H new ATOM 999 N THR A 63 -0.682 -3.867 14.694 1.00 55.31 N ATOM 1000 CA THR A 63 -2.109 -3.744 15.058 1.00 22.32 C ATOM 1001 C THR A 63 -2.985 -3.260 13.872 1.00 33.11 C ATOM 1002 O THR A 63 -4.213 -3.323 13.934 1.00 3.14 O ATOM 1003 CB THR A 63 -2.270 -2.788 16.286 1.00 14.14 C ATOM 1004 OG1 THR A 63 -3.636 -2.760 16.719 1.00 43.13 O ATOM 1005 CG2 THR A 63 -1.797 -1.358 15.980 1.00 5.43 C ATOM 0 H THR A 63 -0.084 -3.189 15.167 1.00 55.31 H new ATOM 0 HA THR A 63 -2.463 -4.740 15.326 1.00 22.32 H new ATOM 0 HB THR A 63 -1.638 -3.183 17.081 1.00 14.14 H new ATOM 0 HG1 THR A 63 -4.227 -2.851 15.943 1.00 43.13 H new ATOM 0 HG21 THR A 63 -1.930 -0.734 16.864 1.00 5.43 H new ATOM 0 HG22 THR A 63 -0.743 -1.375 15.702 1.00 5.43 H new ATOM 0 HG23 THR A 63 -2.383 -0.950 15.156 1.00 5.43 H new ATOM 1013 N HIS A 64 -2.347 -2.757 12.794 1.00 72.14 N ATOM 1014 CA HIS A 64 -3.041 -2.287 11.566 1.00 23.55 C ATOM 1015 C HIS A 64 -2.708 -3.165 10.357 1.00 21.42 C ATOM 1016 O HIS A 64 -2.942 -2.763 9.208 1.00 32.24 O ATOM 1017 CB HIS A 64 -2.728 -0.791 11.304 1.00 61.12 C ATOM 1018 CG HIS A 64 -3.304 0.152 12.346 1.00 54.32 C ATOM 1019 ND1 HIS A 64 -4.242 -0.225 13.298 1.00 31.31 N ATOM 1020 CD2 HIS A 64 -3.055 1.455 12.585 1.00 15.33 C ATOM 1021 CE1 HIS A 64 -4.523 0.804 14.069 1.00 11.41 C ATOM 1022 NE2 HIS A 64 -3.818 1.834 13.657 1.00 42.52 N ATOM 0 H HIS A 64 -1.332 -2.663 12.746 1.00 72.14 H new ATOM 0 HA HIS A 64 -4.115 -2.378 11.727 1.00 23.55 H new ATOM 0 HB2 HIS A 64 -1.647 -0.658 11.266 1.00 61.12 H new ATOM 0 HB3 HIS A 64 -3.118 -0.515 10.324 1.00 61.12 H new ATOM 0 HD1 HIS A 64 -4.650 -1.156 13.386 1.00 31.31 H new ATOM 0 HD2 HIS A 64 -2.376 2.086 12.031 1.00 15.33 H new ATOM 0 HE1 HIS A 64 -5.215 0.802 14.898 1.00 11.41 H new ATOM 1031 N ILE A 65 -2.185 -4.380 10.601 1.00 52.22 N ATOM 1032 CA ILE A 65 -2.009 -5.367 9.530 1.00 22.12 C ATOM 1033 C ILE A 65 -3.298 -6.151 9.386 1.00 0.40 C ATOM 1034 O ILE A 65 -3.580 -7.054 10.175 1.00 73.05 O ATOM 1035 CB ILE A 65 -0.811 -6.353 9.761 1.00 35.42 C ATOM 1036 CG1 ILE A 65 0.495 -5.560 10.035 1.00 40.44 C ATOM 1037 CG2 ILE A 65 -0.643 -7.302 8.541 1.00 11.54 C ATOM 1038 CD1 ILE A 65 0.827 -4.534 8.971 1.00 44.22 C ATOM 0 H ILE A 65 -1.881 -4.696 11.522 1.00 52.22 H new ATOM 0 HA ILE A 65 -1.769 -4.817 8.620 1.00 22.12 H new ATOM 0 HB ILE A 65 -1.026 -6.966 10.636 1.00 35.42 H new ATOM 0 HG12 ILE A 65 0.406 -5.055 10.997 1.00 40.44 H new ATOM 0 HG13 ILE A 65 1.324 -6.263 10.119 1.00 40.44 H new ATOM 0 HG21 ILE A 65 0.193 -7.979 8.719 1.00 11.54 H new ATOM 0 HG22 ILE A 65 -1.556 -7.881 8.402 1.00 11.54 H new ATOM 0 HG23 ILE A 65 -0.448 -6.712 7.645 1.00 11.54 H new ATOM 0 HD11 ILE A 65 1.753 -4.023 9.235 1.00 44.22 H new ATOM 0 HD12 ILE A 65 0.950 -5.033 8.010 1.00 44.22 H new ATOM 0 HD13 ILE A 65 0.018 -3.807 8.902 1.00 44.22 H new ATOM 1050 N THR A 66 -4.118 -5.734 8.431 1.00 20.22 N ATOM 1051 CA THR A 66 -5.344 -6.435 8.091 1.00 52.15 C ATOM 1052 C THR A 66 -5.730 -6.147 6.632 1.00 72.21 C ATOM 1053 O THR A 66 -5.202 -5.212 6.007 1.00 74.12 O ATOM 1054 CB THR A 66 -6.506 -6.070 9.083 1.00 22.34 C ATOM 1055 OG1 THR A 66 -7.703 -6.795 8.753 1.00 64.42 O ATOM 1056 CG2 THR A 66 -6.788 -4.566 9.111 1.00 30.33 C ATOM 0 H THR A 66 -3.950 -4.899 7.871 1.00 20.22 H new ATOM 0 HA THR A 66 -5.170 -7.506 8.191 1.00 52.15 H new ATOM 0 HB THR A 66 -6.178 -6.361 10.081 1.00 22.34 H new ATOM 0 HG1 THR A 66 -8.415 -6.556 9.383 1.00 64.42 H new ATOM 0 HG21 THR A 66 -7.599 -4.361 9.810 1.00 30.33 H new ATOM 0 HG22 THR A 66 -5.891 -4.034 9.428 1.00 30.33 H new ATOM 0 HG23 THR A 66 -7.075 -4.231 8.114 1.00 30.33 H new ATOM 1064 N GLY A 67 -6.663 -6.955 6.121 1.00 52.12 N ATOM 1065 CA GLY A 67 -7.123 -6.871 4.744 1.00 11.10 C ATOM 1066 C GLY A 67 -7.655 -5.500 4.364 1.00 30.42 C ATOM 1067 O GLY A 67 -7.198 -4.924 3.391 1.00 55.14 O ATOM 0 H GLY A 67 -7.120 -7.690 6.661 1.00 52.12 H new ATOM 0 HA2 GLY A 67 -6.300 -7.130 4.078 1.00 11.10 H new ATOM 0 HA3 GLY A 67 -7.906 -7.612 4.585 1.00 11.10 H new ATOM 1071 N LYS A 68 -8.565 -4.949 5.197 1.00 14.50 N ATOM 1072 CA LYS A 68 -9.329 -3.714 4.868 1.00 60.42 C ATOM 1073 C LYS A 68 -8.443 -2.481 4.560 1.00 42.13 C ATOM 1074 O LYS A 68 -8.831 -1.634 3.755 1.00 2.22 O ATOM 1075 CB LYS A 68 -10.308 -3.342 6.005 1.00 14.43 C ATOM 1076 CG LYS A 68 -9.635 -2.992 7.366 1.00 11.05 C ATOM 1077 CD LYS A 68 -10.427 -1.941 8.191 1.00 12.32 C ATOM 1078 CE LYS A 68 -11.846 -2.386 8.561 1.00 73.51 C ATOM 1079 NZ LYS A 68 -11.857 -3.649 9.339 1.00 44.20 N ATOM 0 H LYS A 68 -8.793 -5.340 6.111 1.00 14.50 H new ATOM 0 HA LYS A 68 -9.872 -3.963 3.957 1.00 60.42 H new ATOM 0 HB2 LYS A 68 -10.907 -2.490 5.684 1.00 14.43 H new ATOM 0 HB3 LYS A 68 -10.994 -4.174 6.160 1.00 14.43 H new ATOM 0 HG2 LYS A 68 -9.530 -3.902 7.956 1.00 11.05 H new ATOM 0 HG3 LYS A 68 -8.629 -2.615 7.180 1.00 11.05 H new ATOM 0 HD2 LYS A 68 -9.876 -1.720 9.105 1.00 12.32 H new ATOM 0 HD3 LYS A 68 -10.484 -1.014 7.621 1.00 12.32 H new ATOM 0 HE2 LYS A 68 -12.331 -1.601 9.141 1.00 73.51 H new ATOM 0 HE3 LYS A 68 -12.432 -2.518 7.651 1.00 73.51 H new ATOM 0 HZ1 LYS A 68 -12.834 -3.882 9.609 1.00 44.20 H new ATOM 0 HZ2 LYS A 68 -11.466 -4.418 8.758 1.00 44.20 H new ATOM 0 HZ3 LYS A 68 -11.279 -3.534 10.196 1.00 44.20 H new ATOM 1093 N TYR A 69 -7.277 -2.382 5.214 1.00 63.14 N ATOM 1094 CA TYR A 69 -6.385 -1.210 5.077 1.00 51.24 C ATOM 1095 C TYR A 69 -5.569 -1.285 3.789 1.00 74.24 C ATOM 1096 O TYR A 69 -5.299 -0.265 3.163 1.00 32.33 O ATOM 1097 CB TYR A 69 -5.443 -1.084 6.297 1.00 44.23 C ATOM 1098 CG TYR A 69 -6.139 -0.650 7.608 1.00 74.04 C ATOM 1099 CD1 TYR A 69 -7.205 0.269 7.614 1.00 32.35 C ATOM 1100 CD2 TYR A 69 -5.715 -1.136 8.842 1.00 44.44 C ATOM 1101 CE1 TYR A 69 -7.805 0.664 8.789 1.00 75.13 C ATOM 1102 CE2 TYR A 69 -6.316 -0.737 10.017 1.00 31.55 C ATOM 1103 CZ TYR A 69 -7.356 0.158 9.985 1.00 51.15 C ATOM 1104 OH TYR A 69 -7.947 0.550 11.158 1.00 73.40 O ATOM 0 H TYR A 69 -6.924 -3.100 5.847 1.00 63.14 H new ATOM 0 HA TYR A 69 -7.016 -0.323 5.033 1.00 51.24 H new ATOM 0 HB2 TYR A 69 -4.954 -2.044 6.462 1.00 44.23 H new ATOM 0 HB3 TYR A 69 -4.660 -0.363 6.061 1.00 44.23 H new ATOM 0 HD1 TYR A 69 -7.560 0.673 6.677 1.00 32.35 H new ATOM 0 HD2 TYR A 69 -4.898 -1.841 8.880 1.00 44.44 H new ATOM 0 HE1 TYR A 69 -8.624 1.368 8.770 1.00 75.13 H new ATOM 0 HE2 TYR A 69 -5.969 -1.128 10.962 1.00 31.55 H new ATOM 0 HH TYR A 69 -7.511 0.098 11.911 1.00 73.40 H new ATOM 1114 N PHE A 70 -5.191 -2.502 3.407 1.00 62.44 N ATOM 1115 CA PHE A 70 -4.401 -2.772 2.173 1.00 64.02 C ATOM 1116 C PHE A 70 -5.303 -3.290 1.031 1.00 53.52 C ATOM 1117 O PHE A 70 -4.804 -3.643 -0.052 1.00 12.42 O ATOM 1118 CB PHE A 70 -3.282 -3.790 2.500 1.00 25.14 C ATOM 1119 CG PHE A 70 -2.180 -3.239 3.411 1.00 74.41 C ATOM 1120 CD1 PHE A 70 -1.097 -2.536 2.869 1.00 62.55 C ATOM 1121 CD2 PHE A 70 -2.222 -3.415 4.794 1.00 21.33 C ATOM 1122 CE1 PHE A 70 -0.103 -2.032 3.680 1.00 60.22 C ATOM 1123 CE2 PHE A 70 -1.223 -2.910 5.602 1.00 53.33 C ATOM 1124 CZ PHE A 70 -0.162 -2.222 5.041 1.00 44.35 C ATOM 0 H PHE A 70 -5.417 -3.344 3.936 1.00 62.44 H new ATOM 0 HA PHE A 70 -3.952 -1.840 1.828 1.00 64.02 H new ATOM 0 HB2 PHE A 70 -3.728 -4.664 2.975 1.00 25.14 H new ATOM 0 HB3 PHE A 70 -2.831 -4.130 1.568 1.00 25.14 H new ATOM 0 HD1 PHE A 70 -1.040 -2.387 1.801 1.00 62.55 H new ATOM 0 HD2 PHE A 70 -3.046 -3.953 5.238 1.00 21.33 H new ATOM 0 HE1 PHE A 70 0.723 -1.487 3.246 1.00 60.22 H new ATOM 0 HE2 PHE A 70 -1.270 -3.052 6.672 1.00 53.33 H new ATOM 0 HZ PHE A 70 0.622 -1.833 5.673 1.00 44.35 H new ATOM 1134 N LYS A 71 -6.625 -3.313 1.299 1.00 61.24 N ATOM 1135 CA LYS A 71 -7.666 -3.934 0.448 1.00 24.31 C ATOM 1136 C LYS A 71 -7.590 -3.417 -0.984 1.00 21.04 C ATOM 1137 O LYS A 71 -7.634 -4.182 -1.946 1.00 65.31 O ATOM 1138 CB LYS A 71 -9.077 -3.658 1.083 1.00 44.53 C ATOM 1139 CG LYS A 71 -10.036 -4.878 1.119 1.00 22.34 C ATOM 1140 CD LYS A 71 -10.790 -5.131 -0.206 1.00 52.15 C ATOM 1141 CE LYS A 71 -11.898 -4.097 -0.456 1.00 13.13 C ATOM 1142 NZ LYS A 71 -12.515 -4.250 -1.802 1.00 15.14 N ATOM 0 H LYS A 71 -7.012 -2.886 2.141 1.00 61.24 H new ATOM 0 HA LYS A 71 -7.499 -5.010 0.403 1.00 24.31 H new ATOM 0 HB2 LYS A 71 -8.935 -3.298 2.102 1.00 44.53 H new ATOM 0 HB3 LYS A 71 -9.558 -2.855 0.525 1.00 44.53 H new ATOM 0 HG2 LYS A 71 -9.462 -5.769 1.373 1.00 22.34 H new ATOM 0 HG3 LYS A 71 -10.765 -4.730 1.916 1.00 22.34 H new ATOM 0 HD2 LYS A 71 -10.082 -5.108 -1.034 1.00 52.15 H new ATOM 0 HD3 LYS A 71 -11.226 -6.130 -0.188 1.00 52.15 H new ATOM 0 HE2 LYS A 71 -12.668 -4.200 0.309 1.00 13.13 H new ATOM 0 HE3 LYS A 71 -11.485 -3.093 -0.359 1.00 13.13 H new ATOM 0 HZ1 LYS A 71 -13.492 -3.895 -1.778 1.00 15.14 H new ATOM 0 HZ2 LYS A 71 -11.966 -3.707 -2.499 1.00 15.14 H new ATOM 0 HZ3 LYS A 71 -12.518 -5.255 -2.070 1.00 15.14 H new ATOM 1156 N ASP A 72 -7.431 -2.103 -1.076 1.00 22.11 N ATOM 1157 CA ASP A 72 -7.288 -1.371 -2.322 1.00 2.35 C ATOM 1158 C ASP A 72 -6.325 -0.229 -2.068 1.00 22.30 C ATOM 1159 O ASP A 72 -5.904 0.008 -0.927 1.00 11.41 O ATOM 1160 CB ASP A 72 -8.640 -0.801 -2.844 1.00 54.32 C ATOM 1161 CG ASP A 72 -9.599 -1.831 -3.465 1.00 73.10 C ATOM 1162 OD1 ASP A 72 -10.338 -2.486 -2.719 1.00 11.33 O ATOM 1163 OD2 ASP A 72 -9.659 -1.946 -4.698 1.00 63.12 O ATOM 0 H ASP A 72 -7.397 -1.499 -0.255 1.00 22.11 H new ATOM 0 HA ASP A 72 -6.921 -2.054 -3.088 1.00 2.35 H new ATOM 0 HB2 ASP A 72 -9.150 -0.309 -2.016 1.00 54.32 H new ATOM 0 HB3 ASP A 72 -8.427 -0.034 -3.589 1.00 54.32 H new ATOM 1168 N LEU A 73 -5.979 0.478 -3.135 1.00 44.23 N ATOM 1169 CA LEU A 73 -5.108 1.639 -3.042 1.00 34.32 C ATOM 1170 C LEU A 73 -5.825 2.808 -2.346 1.00 44.02 C ATOM 1171 O LEU A 73 -5.217 3.540 -1.565 1.00 54.45 O ATOM 1172 CB LEU A 73 -4.654 2.079 -4.432 1.00 74.15 C ATOM 1173 CG LEU A 73 -3.657 3.254 -4.428 1.00 32.33 C ATOM 1174 CD1 LEU A 73 -2.285 2.798 -3.884 1.00 15.24 C ATOM 1175 CD2 LEU A 73 -3.568 3.888 -5.814 1.00 14.34 C ATOM 0 H LEU A 73 -6.292 0.264 -4.082 1.00 44.23 H new ATOM 0 HA LEU A 73 -4.237 1.356 -2.451 1.00 34.32 H new ATOM 0 HB2 LEU A 73 -4.195 1.230 -4.938 1.00 74.15 H new ATOM 0 HB3 LEU A 73 -5.530 2.362 -5.015 1.00 74.15 H new ATOM 0 HG LEU A 73 -4.019 4.030 -3.754 1.00 32.33 H new ATOM 0 HD11 LEU A 73 -1.594 3.641 -3.888 1.00 15.24 H new ATOM 0 HD12 LEU A 73 -2.402 2.430 -2.865 1.00 15.24 H new ATOM 0 HD13 LEU A 73 -1.890 2.001 -4.514 1.00 15.24 H new ATOM 0 HD21 LEU A 73 -2.859 4.716 -5.791 1.00 14.34 H new ATOM 0 HD22 LEU A 73 -3.232 3.142 -6.534 1.00 14.34 H new ATOM 0 HD23 LEU A 73 -4.550 4.259 -6.108 1.00 14.34 H new ATOM 1187 N ASN A 74 -7.118 2.977 -2.670 1.00 11.31 N ATOM 1188 CA ASN A 74 -7.990 3.965 -2.005 1.00 34.21 C ATOM 1189 C ASN A 74 -8.093 3.653 -0.502 1.00 72.24 C ATOM 1190 O ASN A 74 -8.051 4.562 0.325 1.00 51.33 O ATOM 1191 CB ASN A 74 -9.394 4.015 -2.663 1.00 2.12 C ATOM 1192 CG ASN A 74 -10.025 2.642 -2.868 1.00 12.53 C ATOM 1193 OD1 ASN A 74 -9.778 2.046 -4.030 1.00 4.33 O flip ATOM 1194 ND2 ASN A 74 -10.707 2.117 -1.990 1.00 31.42 N flip ATOM 0 H ASN A 74 -7.588 2.437 -3.396 1.00 11.31 H new ATOM 0 HA ASN A 74 -7.542 4.952 -2.125 1.00 34.21 H new ATOM 0 HB2 ASN A 74 -10.055 4.620 -2.042 1.00 2.12 H new ATOM 0 HB3 ASN A 74 -9.316 4.517 -3.628 1.00 2.12 H new ATOM 0 HD21 ASN A 74 -10.873 2.608 -1.111 1.00 31.42 H new ATOM 0 HD22 ASN A 74 -11.106 1.191 -2.140 1.00 31.42 H new ATOM 1201 N ALA A 75 -8.176 2.358 -0.169 1.00 71.15 N ATOM 1202 CA ALA A 75 -8.161 1.896 1.229 1.00 43.11 C ATOM 1203 C ALA A 75 -6.856 2.331 1.945 1.00 45.12 C ATOM 1204 O ALA A 75 -6.890 2.825 3.077 1.00 15.44 O ATOM 1205 CB ALA A 75 -8.356 0.375 1.269 1.00 61.53 C ATOM 0 H ALA A 75 -8.255 1.605 -0.853 1.00 71.15 H new ATOM 0 HA ALA A 75 -8.985 2.361 1.769 1.00 43.11 H new ATOM 0 HB1 ALA A 75 -8.345 0.034 2.304 1.00 61.53 H new ATOM 0 HB2 ALA A 75 -9.312 0.119 0.813 1.00 61.53 H new ATOM 0 HB3 ALA A 75 -7.550 -0.110 0.718 1.00 61.53 H new ATOM 1211 N ILE A 76 -5.716 2.179 1.241 1.00 1.53 N ATOM 1212 CA ILE A 76 -4.385 2.606 1.730 1.00 13.22 C ATOM 1213 C ILE A 76 -4.304 4.124 1.858 1.00 73.21 C ATOM 1214 O ILE A 76 -3.764 4.614 2.840 1.00 30.32 O ATOM 1215 CB ILE A 76 -3.224 2.059 0.810 1.00 1.33 C ATOM 1216 CG1 ILE A 76 -3.199 0.505 0.872 1.00 52.14 C ATOM 1217 CG2 ILE A 76 -1.833 2.645 1.198 1.00 72.31 C ATOM 1218 CD1 ILE A 76 -2.214 -0.174 -0.051 1.00 53.30 C ATOM 0 H ILE A 76 -5.690 1.755 0.314 1.00 1.53 H new ATOM 0 HA ILE A 76 -4.253 2.175 2.722 1.00 13.22 H new ATOM 0 HB ILE A 76 -3.427 2.383 -0.211 1.00 1.33 H new ATOM 0 HG12 ILE A 76 -2.975 0.205 1.896 1.00 52.14 H new ATOM 0 HG13 ILE A 76 -4.198 0.135 0.642 1.00 52.14 H new ATOM 0 HG21 ILE A 76 -1.069 2.238 0.536 1.00 72.31 H new ATOM 0 HG22 ILE A 76 -1.856 3.730 1.101 1.00 72.31 H new ATOM 0 HG23 ILE A 76 -1.600 2.377 2.229 1.00 72.31 H new ATOM 0 HD11 ILE A 76 -2.282 -1.254 0.076 1.00 53.30 H new ATOM 0 HD12 ILE A 76 -2.445 0.086 -1.084 1.00 53.30 H new ATOM 0 HD13 ILE A 76 -1.203 0.156 0.189 1.00 53.30 H new ATOM 1230 N SER A 77 -4.897 4.872 0.907 1.00 11.24 N ATOM 1231 CA SER A 77 -4.805 6.345 0.898 1.00 63.15 C ATOM 1232 C SER A 77 -5.641 6.965 2.037 1.00 62.24 C ATOM 1233 O SER A 77 -5.380 8.100 2.450 1.00 41.25 O ATOM 1234 CB SER A 77 -5.202 6.915 -0.486 1.00 30.14 C ATOM 1235 OG SER A 77 -6.551 6.656 -0.828 1.00 74.30 O ATOM 0 H SER A 77 -5.443 4.482 0.138 1.00 11.24 H new ATOM 0 HA SER A 77 -3.766 6.620 1.078 1.00 63.15 H new ATOM 0 HB2 SER A 77 -5.033 7.992 -0.491 1.00 30.14 H new ATOM 0 HB3 SER A 77 -4.552 6.487 -1.249 1.00 30.14 H new ATOM 0 HG SER A 77 -6.897 5.929 -0.268 1.00 74.30 H new ATOM 1241 N ARG A 78 -6.643 6.220 2.545 1.00 52.54 N ATOM 1242 CA ARG A 78 -7.429 6.663 3.709 1.00 54.24 C ATOM 1243 C ARG A 78 -6.734 6.241 5.027 1.00 71.25 C ATOM 1244 O ARG A 78 -6.875 6.913 6.056 1.00 74.54 O ATOM 1245 CB ARG A 78 -8.878 6.118 3.682 1.00 25.53 C ATOM 1246 CG ARG A 78 -9.669 6.241 2.346 1.00 24.14 C ATOM 1247 CD ARG A 78 -9.336 7.458 1.452 1.00 31.10 C ATOM 1248 NE ARG A 78 -9.475 8.767 2.117 1.00 51.04 N ATOM 1249 CZ ARG A 78 -9.639 9.929 1.470 1.00 12.34 C ATOM 1250 NH1 ARG A 78 -9.697 9.971 0.143 1.00 54.14 N ATOM 1251 NH2 ARG A 78 -9.656 11.064 2.151 1.00 55.12 N ATOM 0 H ARG A 78 -6.924 5.315 2.169 1.00 52.54 H new ATOM 0 HA ARG A 78 -7.484 7.750 3.658 1.00 54.24 H new ATOM 0 HB2 ARG A 78 -8.846 5.064 3.958 1.00 25.53 H new ATOM 0 HB3 ARG A 78 -9.445 6.633 4.457 1.00 25.53 H new ATOM 0 HG2 ARG A 78 -9.498 5.335 1.765 1.00 24.14 H new ATOM 0 HG3 ARG A 78 -10.733 6.273 2.582 1.00 24.14 H new ATOM 0 HD2 ARG A 78 -8.313 7.357 1.090 1.00 31.10 H new ATOM 0 HD3 ARG A 78 -9.987 7.439 0.578 1.00 31.10 H new ATOM 0 HE ARG A 78 -9.444 8.789 3.136 1.00 51.04 H new ATOM 0 HH11 ARG A 78 -9.616 9.110 -0.398 1.00 54.14 H new ATOM 0 HH12 ARG A 78 -9.822 10.864 -0.334 1.00 54.14 H new ATOM 0 HH21 ARG A 78 -9.544 11.052 3.165 1.00 55.12 H new ATOM 0 HH22 ARG A 78 -9.781 11.950 1.662 1.00 55.12 H new ATOM 1265 N THR A 79 -5.982 5.120 4.991 1.00 24.20 N ATOM 1266 CA THR A 79 -5.228 4.626 6.168 1.00 53.35 C ATOM 1267 C THR A 79 -3.982 5.489 6.413 1.00 41.21 C ATOM 1268 O THR A 79 -3.695 5.885 7.535 1.00 63.35 O ATOM 1269 CB THR A 79 -4.786 3.133 6.003 1.00 75.23 C ATOM 1270 OG1 THR A 79 -5.915 2.345 5.608 1.00 10.21 O ATOM 1271 CG2 THR A 79 -4.185 2.547 7.305 1.00 23.31 C ATOM 0 H THR A 79 -5.880 4.538 4.160 1.00 24.20 H new ATOM 0 HA THR A 79 -5.903 4.693 7.021 1.00 53.35 H new ATOM 0 HB THR A 79 -4.008 3.104 5.240 1.00 75.23 H new ATOM 0 HG1 THR A 79 -6.184 2.591 4.698 1.00 10.21 H new ATOM 0 HG21 THR A 79 -3.895 1.510 7.137 1.00 23.31 H new ATOM 0 HG22 THR A 79 -3.309 3.127 7.594 1.00 23.31 H new ATOM 0 HG23 THR A 79 -4.928 2.591 8.101 1.00 23.31 H new ATOM 1279 N VAL A 80 -3.284 5.820 5.335 1.00 2.34 N ATOM 1280 CA VAL A 80 -1.967 6.463 5.402 1.00 43.12 C ATOM 1281 C VAL A 80 -2.105 7.925 5.870 1.00 43.44 C ATOM 1282 O VAL A 80 -1.244 8.437 6.594 1.00 45.21 O ATOM 1283 CB VAL A 80 -1.232 6.354 4.006 1.00 64.13 C ATOM 1284 CG1 VAL A 80 -1.898 7.222 2.922 1.00 22.44 C ATOM 1285 CG2 VAL A 80 0.263 6.676 4.123 1.00 42.14 C ATOM 0 H VAL A 80 -3.611 5.652 4.384 1.00 2.34 H new ATOM 0 HA VAL A 80 -1.352 5.944 6.137 1.00 43.12 H new ATOM 0 HB VAL A 80 -1.328 5.315 3.691 1.00 64.13 H new ATOM 0 HG11 VAL A 80 -1.355 7.111 1.983 1.00 22.44 H new ATOM 0 HG12 VAL A 80 -2.931 6.903 2.784 1.00 22.44 H new ATOM 0 HG13 VAL A 80 -1.880 8.267 3.231 1.00 22.44 H new ATOM 0 HG21 VAL A 80 0.732 6.590 3.143 1.00 42.14 H new ATOM 0 HG22 VAL A 80 0.388 7.692 4.497 1.00 42.14 H new ATOM 0 HG23 VAL A 80 0.733 5.975 4.813 1.00 42.14 H new ATOM 1295 N GLU A 81 -3.232 8.571 5.493 1.00 14.21 N ATOM 1296 CA GLU A 81 -3.509 9.970 5.858 1.00 43.22 C ATOM 1297 C GLU A 81 -3.877 10.086 7.348 1.00 10.43 C ATOM 1298 O GLU A 81 -3.403 11.001 8.045 1.00 53.11 O ATOM 1299 CB GLU A 81 -4.639 10.565 4.968 1.00 60.31 C ATOM 1300 CG GLU A 81 -6.018 9.886 5.115 1.00 21.13 C ATOM 1301 CD GLU A 81 -7.190 10.583 4.411 1.00 71.35 C ATOM 1302 OE1 GLU A 81 -6.990 11.605 3.719 1.00 42.33 O ATOM 1303 OE2 GLU A 81 -8.343 10.122 4.581 1.00 4.31 O ATOM 0 H GLU A 81 -3.966 8.138 4.932 1.00 14.21 H new ATOM 0 HA GLU A 81 -2.600 10.546 5.684 1.00 43.22 H new ATOM 0 HB2 GLU A 81 -4.746 11.624 5.204 1.00 60.31 H new ATOM 0 HB3 GLU A 81 -4.330 10.501 3.925 1.00 60.31 H new ATOM 0 HG2 GLU A 81 -5.943 8.869 4.731 1.00 21.13 H new ATOM 0 HG3 GLU A 81 -6.252 9.809 6.177 1.00 21.13 H new ATOM 1310 N GLN A 82 -4.700 9.131 7.830 1.00 33.22 N ATOM 1311 CA GLN A 82 -5.249 9.169 9.190 1.00 23.10 C ATOM 1312 C GLN A 82 -4.145 8.950 10.216 1.00 73.12 C ATOM 1313 O GLN A 82 -4.155 9.578 11.238 1.00 31.40 O ATOM 1314 CB GLN A 82 -6.400 8.137 9.406 1.00 21.32 C ATOM 1315 CG GLN A 82 -5.965 6.664 9.399 1.00 43.30 C ATOM 1316 CD GLN A 82 -7.078 5.680 9.753 1.00 0.25 C ATOM 1317 OE1 GLN A 82 -7.829 5.238 8.889 1.00 51.22 O ATOM 1318 NE2 GLN A 82 -7.196 5.324 11.026 1.00 31.14 N ATOM 0 H GLN A 82 -4.997 8.320 7.287 1.00 33.22 H new ATOM 0 HA GLN A 82 -5.681 10.160 9.327 1.00 23.10 H new ATOM 0 HB2 GLN A 82 -6.885 8.352 10.358 1.00 21.32 H new ATOM 0 HB3 GLN A 82 -7.148 8.282 8.627 1.00 21.32 H new ATOM 0 HG2 GLN A 82 -5.577 6.416 8.411 1.00 43.30 H new ATOM 0 HG3 GLN A 82 -5.144 6.536 10.105 1.00 43.30 H new ATOM 0 HE21 GLN A 82 -6.558 5.707 11.724 1.00 31.14 H new ATOM 0 HE22 GLN A 82 -7.925 4.668 11.307 1.00 31.14 H new ATOM 1327 N LEU A 83 -3.178 8.075 9.906 1.00 44.45 N ATOM 1328 CA LEU A 83 -2.068 7.740 10.828 1.00 3.14 C ATOM 1329 C LEU A 83 -1.212 8.978 11.151 1.00 11.41 C ATOM 1330 O LEU A 83 -0.794 9.178 12.292 1.00 0.23 O ATOM 1331 CB LEU A 83 -1.191 6.630 10.217 1.00 44.22 C ATOM 1332 CG LEU A 83 -1.889 5.268 9.962 1.00 50.13 C ATOM 1333 CD1 LEU A 83 -0.933 4.271 9.278 1.00 35.00 C ATOM 1334 CD2 LEU A 83 -2.461 4.682 11.255 1.00 35.24 C ATOM 0 H LEU A 83 -3.137 7.579 9.016 1.00 44.45 H new ATOM 0 HA LEU A 83 -2.502 7.382 11.762 1.00 3.14 H new ATOM 0 HB2 LEU A 83 -0.790 6.992 9.270 1.00 44.22 H new ATOM 0 HB3 LEU A 83 -0.342 6.461 10.879 1.00 44.22 H new ATOM 0 HG LEU A 83 -2.723 5.450 9.285 1.00 50.13 H new ATOM 0 HD11 LEU A 83 -1.450 3.326 9.112 1.00 35.00 H new ATOM 0 HD12 LEU A 83 -0.606 4.678 8.321 1.00 35.00 H new ATOM 0 HD13 LEU A 83 -0.065 4.103 9.916 1.00 35.00 H new ATOM 0 HD21 LEU A 83 -2.943 3.728 11.040 1.00 35.24 H new ATOM 0 HD22 LEU A 83 -1.655 4.528 11.972 1.00 35.24 H new ATOM 0 HD23 LEU A 83 -3.193 5.372 11.674 1.00 35.24 H new ATOM 1346 N LYS A 84 -0.997 9.816 10.123 1.00 44.03 N ATOM 1347 CA LYS A 84 -0.238 11.076 10.248 1.00 71.21 C ATOM 1348 C LYS A 84 -1.053 12.143 11.017 1.00 73.23 C ATOM 1349 O LYS A 84 -0.484 13.088 11.563 1.00 71.14 O ATOM 1350 CB LYS A 84 0.166 11.593 8.841 1.00 32.33 C ATOM 1351 CG LYS A 84 0.997 10.595 8.013 1.00 4.12 C ATOM 1352 CD LYS A 84 1.403 11.107 6.599 1.00 55.22 C ATOM 1353 CE LYS A 84 0.246 11.174 5.576 1.00 11.23 C ATOM 1354 NZ LYS A 84 -0.826 12.149 5.938 1.00 62.23 N ATOM 0 H LYS A 84 -1.344 9.640 9.180 1.00 44.03 H new ATOM 0 HA LYS A 84 0.668 10.880 10.821 1.00 71.21 H new ATOM 0 HB2 LYS A 84 -0.738 11.844 8.286 1.00 32.33 H new ATOM 0 HB3 LYS A 84 0.736 12.515 8.956 1.00 32.33 H new ATOM 0 HG2 LYS A 84 1.901 10.346 8.569 1.00 4.12 H new ATOM 0 HG3 LYS A 84 0.427 9.672 7.901 1.00 4.12 H new ATOM 0 HD2 LYS A 84 1.838 12.101 6.699 1.00 55.22 H new ATOM 0 HD3 LYS A 84 2.182 10.456 6.203 1.00 55.22 H new ATOM 0 HE2 LYS A 84 0.652 11.441 4.600 1.00 11.23 H new ATOM 0 HE3 LYS A 84 -0.196 10.183 5.477 1.00 11.23 H new ATOM 0 HZ1 LYS A 84 -1.363 12.407 5.086 1.00 62.23 H new ATOM 0 HZ2 LYS A 84 -1.467 11.718 6.634 1.00 62.23 H new ATOM 0 HZ3 LYS A 84 -0.395 13.003 6.347 1.00 62.23 H new ATOM 1368 N ALA A 85 -2.383 11.989 11.042 1.00 44.24 N ATOM 1369 CA ALA A 85 -3.283 12.853 11.832 1.00 25.31 C ATOM 1370 C ALA A 85 -3.337 12.386 13.307 1.00 52.41 C ATOM 1371 O ALA A 85 -3.088 13.168 14.227 1.00 44.15 O ATOM 1372 CB ALA A 85 -4.685 12.844 11.196 1.00 72.13 C ATOM 0 H ALA A 85 -2.870 11.263 10.516 1.00 44.24 H new ATOM 0 HA ALA A 85 -2.899 13.873 11.827 1.00 25.31 H new ATOM 0 HB1 ALA A 85 -5.352 13.481 11.777 1.00 72.13 H new ATOM 0 HB2 ALA A 85 -4.624 13.219 10.174 1.00 72.13 H new ATOM 0 HB3 ALA A 85 -5.073 11.826 11.186 1.00 72.13 H new ATOM 1378 N GLU A 86 -3.594 11.076 13.490 1.00 13.41 N ATOM 1379 CA GLU A 86 -3.881 10.455 14.796 1.00 41.22 C ATOM 1380 C GLU A 86 -2.645 10.467 15.689 1.00 4.02 C ATOM 1381 O GLU A 86 -2.692 10.933 16.819 1.00 44.40 O ATOM 1382 CB GLU A 86 -4.361 8.978 14.633 1.00 14.54 C ATOM 1383 CG GLU A 86 -5.663 8.758 13.833 1.00 72.01 C ATOM 1384 CD GLU A 86 -6.856 9.579 14.348 1.00 51.22 C ATOM 1385 OE1 GLU A 86 -7.417 9.229 15.405 1.00 11.11 O ATOM 1386 OE2 GLU A 86 -7.252 10.563 13.691 1.00 52.00 O ATOM 0 H GLU A 86 -3.608 10.408 12.719 1.00 13.41 H new ATOM 0 HA GLU A 86 -4.675 11.043 15.256 1.00 41.22 H new ATOM 0 HB2 GLU A 86 -3.564 8.412 14.149 1.00 14.54 H new ATOM 0 HB3 GLU A 86 -4.496 8.552 15.627 1.00 14.54 H new ATOM 0 HG2 GLU A 86 -5.483 9.012 12.788 1.00 72.01 H new ATOM 0 HG3 GLU A 86 -5.922 7.700 13.864 1.00 72.01 H new ATOM 1393 N SER A 87 -1.539 9.936 15.156 1.00 21.22 N ATOM 1394 CA SER A 87 -0.291 9.735 15.920 1.00 52.14 C ATOM 1395 C SER A 87 0.431 11.069 16.206 1.00 13.23 C ATOM 1396 O SER A 87 1.248 11.156 17.129 1.00 52.00 O ATOM 1397 CB SER A 87 0.616 8.750 15.149 1.00 31.21 C ATOM 1398 OG SER A 87 -0.097 7.572 14.800 1.00 52.52 O ATOM 0 H SER A 87 -1.478 9.632 14.184 1.00 21.22 H new ATOM 0 HA SER A 87 -0.537 9.310 16.893 1.00 52.14 H new ATOM 0 HB2 SER A 87 0.997 9.230 14.248 1.00 31.21 H new ATOM 0 HB3 SER A 87 1.480 8.489 15.761 1.00 31.21 H new ATOM 0 HG SER A 87 -0.530 7.698 13.930 1.00 52.52 H new ATOM 1404 N ALA A 88 0.110 12.109 15.411 1.00 71.51 N ATOM 1405 CA ALA A 88 0.719 13.442 15.548 1.00 35.44 C ATOM 1406 C ALA A 88 -0.091 14.355 16.471 1.00 1.22 C ATOM 1407 O ALA A 88 0.250 14.528 17.643 1.00 65.44 O ATOM 1408 CB ALA A 88 0.923 14.085 14.167 1.00 11.43 C ATOM 0 H ALA A 88 -0.577 12.047 14.659 1.00 71.51 H new ATOM 0 HA ALA A 88 1.695 13.310 16.016 1.00 35.44 H new ATOM 0 HB1 ALA A 88 1.374 15.070 14.287 1.00 11.43 H new ATOM 0 HB2 ALA A 88 1.580 13.456 13.566 1.00 11.43 H new ATOM 0 HB3 ALA A 88 -0.040 14.186 13.667 1.00 11.43 H new ATOM 1414 N LEU A 89 -1.179 14.918 15.956 1.00 42.14 N ATOM 1415 CA LEU A 89 -1.834 16.081 16.582 1.00 30.04 C ATOM 1416 C LEU A 89 -3.217 15.771 17.172 1.00 53.45 C ATOM 1417 O LEU A 89 -3.677 16.494 18.065 1.00 34.11 O ATOM 1418 CB LEU A 89 -1.853 17.229 15.539 1.00 75.12 C ATOM 1419 CG LEU A 89 -2.421 16.933 14.095 1.00 31.04 C ATOM 1420 CD1 LEU A 89 -3.967 16.891 14.047 1.00 34.31 C ATOM 1421 CD2 LEU A 89 -1.874 17.958 13.066 1.00 74.05 C ATOM 0 H LEU A 89 -1.634 14.592 15.103 1.00 42.14 H new ATOM 0 HA LEU A 89 -1.259 16.388 17.456 1.00 30.04 H new ATOM 0 HB2 LEU A 89 -2.434 18.049 15.961 1.00 75.12 H new ATOM 0 HB3 LEU A 89 -0.830 17.589 15.425 1.00 75.12 H new ATOM 0 HG LEU A 89 -2.072 15.936 13.828 1.00 31.04 H new ATOM 0 HD11 LEU A 89 -4.294 16.684 13.028 1.00 34.31 H new ATOM 0 HD12 LEU A 89 -4.330 16.107 14.711 1.00 34.31 H new ATOM 0 HD13 LEU A 89 -4.367 17.853 14.368 1.00 34.31 H new ATOM 0 HD21 LEU A 89 -2.279 17.734 12.079 1.00 74.05 H new ATOM 0 HD22 LEU A 89 -2.172 18.964 13.361 1.00 74.05 H new ATOM 0 HD23 LEU A 89 -0.786 17.897 13.034 1.00 74.05 H new ATOM 1433 N GLU A 90 -3.882 14.718 16.667 1.00 35.45 N ATOM 1434 CA GLU A 90 -5.221 14.341 17.097 1.00 2.23 C ATOM 1435 C GLU A 90 -5.153 13.542 18.420 1.00 72.42 C ATOM 1436 O GLU A 90 -5.625 14.039 19.462 1.00 12.31 O ATOM 1437 CB GLU A 90 -5.875 13.526 15.965 1.00 65.41 C ATOM 1438 CG GLU A 90 -7.303 13.088 16.232 1.00 12.41 C ATOM 1439 CD GLU A 90 -8.270 14.259 16.482 1.00 23.24 C ATOM 1440 OE1 GLU A 90 -8.712 14.892 15.503 1.00 63.22 O ATOM 1441 OE2 GLU A 90 -8.580 14.570 17.651 1.00 51.11 O ATOM 1442 OXT GLU A 90 -4.576 12.440 18.424 1.00 38.75 O ATOM 0 H GLU A 90 -3.496 14.108 15.946 1.00 35.45 H new ATOM 0 HA GLU A 90 -5.827 15.225 17.294 1.00 2.23 H new ATOM 0 HB2 GLU A 90 -5.858 14.122 15.052 1.00 65.41 H new ATOM 0 HB3 GLU A 90 -5.268 12.640 15.778 1.00 65.41 H new ATOM 0 HG2 GLU A 90 -7.661 12.507 15.382 1.00 12.41 H new ATOM 0 HG3 GLU A 90 -7.315 12.426 17.098 1.00 12.41 H new TER 1449 GLU A 90 HETATM 1450 P24 4EM A 101 3.739 -13.637 7.635 1.00 51.23 P HETATM 1451 O25 4EM A 101 2.338 -14.107 7.756 1.00 51.13 O HETATM 1452 O26 4EM A 101 4.753 -14.484 8.310 1.00 51.00 O HETATM 1453 O27 4EM A 101 3.922 -12.081 8.108 1.00 4.42 O HETATM 1454 C28 4EM A 101 2.845 -11.112 8.243 1.00 54.41 C HETATM 1455 C29 4EM A 101 2.288 -11.120 9.668 1.00 21.23 C HETATM 1456 C30 4EM A 101 1.686 -12.491 9.983 1.00 25.15 C HETATM 1457 C31 4EM A 101 1.185 -10.070 9.765 1.00 12.30 C HETATM 1458 C32 4EM A 101 3.412 -10.784 10.653 1.00 45.32 C HETATM 1459 O33 4EM A 101 3.856 -9.419 10.475 1.00 3.40 O HETATM 1460 C34 4EM A 101 2.942 -10.948 12.120 1.00 21.33 C HETATM 1461 O35 4EM A 101 3.260 -11.957 12.762 1.00 72.20 O HETATM 1462 N36 4EM A 101 2.208 -9.982 12.665 1.00 1.14 N HETATM 1463 C37 4EM A 101 1.687 -10.033 14.035 1.00 14.41 C HETATM 1464 C38 4EM A 101 0.237 -10.540 14.074 1.00 54.43 C HETATM 1465 C39 4EM A 101 -0.742 -9.654 13.301 1.00 62.24 C HETATM 1466 O40 4EM A 101 -0.616 -8.424 13.316 1.00 54.20 O HETATM 1467 N41 4EM A 101 -1.709 -10.275 12.599 1.00 33.22 N HETATM 1468 C42 4EM A 101 -2.743 -9.570 11.823 1.00 15.42 C HETATM 1469 C43 4EM A 101 -3.447 -10.423 10.759 1.00 53.03 C HETATM 1470 N44 4EM A 101 -2.584 -10.820 9.806 1.00 13.24 N HETATM 1471 C45 4EM A 101 -2.629 -10.339 8.557 1.00 33.53 C HETATM 1472 O46 4EM A 101 -3.441 -9.497 8.177 1.00 51.22 O HETATM 1473 C47 4EM A 101 -1.721 -10.829 7.722 1.00 61.34 C HETATM 1474 C49 4EM A 101 -1.477 -10.351 6.507 1.00 64.00 C HETATM 1475 C51 4EM A 101 -0.499 -11.096 5.986 1.00 61.03 C HETATM 1476 C50 4EM A 101 -0.150 -12.006 6.892 1.00 33.41 C HETATM 1477 N48 4EM A 101 -0.907 -11.849 7.975 1.00 51.24 N