USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 654 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 20 LYS NZ :NH3+ 159:sc= -7.26! (180deg=-10.1!) USER MOD Set 1.2: A 77 TYR OH : rot -140:sc= -1.83 USER MOD Set 2.1: A 57 ASN : amide:sc= -0.412 X(o=-2.4,f=-2.6) USER MOD Set 2.2: A 63 THR OG1 : rot 151:sc= -2.01 USER MOD Set 3.1: A 36 SER OG : rot 9:sc= -0.371 USER MOD Set 3.2: A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= -0.0245 X(o=-0.025,f=0) USER MOD Single : A 10 SER OG : rot 180:sc= -0.0384 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 15 SER OG : rot 180:sc= -0.625 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.165 X(o=-0.17,f=-0.16) USER MOD Single : A 39 SER OG : rot 180:sc= 0.0141 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.683 X(o=-0.68,f=-0.66) USER MOD Single : A 49 GLN : amide:sc= -0.761 K(o=-0.76,f=-2.1!) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 32:sc= 1.23 USER MOD Single : A 62 SER OG : rot -138:sc= -2.49! USER MOD Single : A 65 THR OG1 : rot 86:sc= 1.2 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.497 X(o=-0.5,f=-0.4) USER MOD Single : A 70 ASN : amide:sc= -1.12 K(o=-1.1,f=-3.4!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 72:sc= 0.142 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0.0036) USER MOD Single : A 89 SER OG : rot 173:sc= 1.22 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -0.645 K(o=-0.65,f=-0.13) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 43 N LEU A 3 -16.299 3.742 3.858 1.00 0.00 N ATOM 44 CA LEU A 3 -15.119 3.533 3.027 1.00 0.00 C ATOM 45 C LEU A 3 -13.900 4.243 3.628 1.00 0.00 C ATOM 46 O LEU A 3 -13.634 5.407 3.317 1.00 0.00 O ATOM 47 CB LEU A 3 -15.399 4.022 1.593 1.00 0.00 C ATOM 48 CG LEU A 3 -15.143 2.987 0.495 1.00 0.00 C ATOM 49 CD1 LEU A 3 -16.308 2.008 0.413 1.00 0.00 C ATOM 50 CD2 LEU A 3 -14.921 3.673 -0.845 1.00 0.00 C ATOM 0 HA LEU A 3 -14.893 2.467 2.991 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -16.438 4.345 1.532 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -14.781 4.898 1.397 1.00 0.00 H new ATOM 0 HG LEU A 3 -14.240 2.430 0.744 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -16.114 1.277 -0.372 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -16.420 1.495 1.368 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -17.225 2.552 0.184 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -14.741 2.921 -1.613 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -15.805 4.255 -1.107 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -14.058 4.336 -0.776 1.00 0.00 H new ATOM 62 N GLN A 4 -13.170 3.534 4.497 1.00 0.00 N ATOM 63 CA GLN A 4 -11.983 4.084 5.158 1.00 0.00 C ATOM 64 C GLN A 4 -10.738 3.262 4.817 1.00 0.00 C ATOM 65 O GLN A 4 -10.833 2.056 4.579 1.00 0.00 O ATOM 66 CB GLN A 4 -12.208 4.109 6.676 1.00 0.00 C ATOM 67 CG GLN A 4 -11.530 5.282 7.389 1.00 0.00 C ATOM 68 CD GLN A 4 -12.518 6.268 7.999 1.00 0.00 C ATOM 69 OE1 GLN A 4 -12.421 6.605 9.180 1.00 0.00 O ATOM 70 NE2 GLN A 4 -13.475 6.735 7.200 1.00 0.00 N ATOM 0 H GLN A 4 -13.383 2.572 4.759 1.00 0.00 H new ATOM 0 HA GLN A 4 -11.821 5.101 4.800 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -13.279 4.148 6.873 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -11.839 3.176 7.103 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -10.882 4.895 8.175 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -10.892 5.809 6.680 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -13.521 6.431 6.227 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -14.162 7.397 7.560 1.00 0.00 H new ATOM 79 N VAL A 5 -9.574 3.925 4.801 1.00 0.00 N ATOM 80 CA VAL A 5 -8.302 3.261 4.492 1.00 0.00 C ATOM 81 C VAL A 5 -7.156 3.910 5.273 1.00 0.00 C ATOM 82 O VAL A 5 -7.087 5.138 5.372 1.00 0.00 O ATOM 83 CB VAL A 5 -7.972 3.311 2.974 1.00 0.00 C ATOM 84 CG1 VAL A 5 -6.783 2.418 2.650 1.00 0.00 C ATOM 85 CG2 VAL A 5 -9.172 2.906 2.126 1.00 0.00 C ATOM 0 H VAL A 5 -9.488 4.922 4.999 1.00 0.00 H new ATOM 0 HA VAL A 5 -8.410 2.217 4.786 1.00 0.00 H new ATOM 0 HB VAL A 5 -7.717 4.343 2.732 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -6.570 2.469 1.582 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -5.911 2.756 3.210 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -7.015 1.389 2.925 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -8.904 2.953 1.070 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -9.470 1.889 2.380 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -10.001 3.586 2.320 1.00 0.00 H new ATOM 95 N ASP A 6 -6.253 3.080 5.810 1.00 0.00 N ATOM 96 CA ASP A 6 -5.104 3.573 6.570 1.00 0.00 C ATOM 97 C ASP A 6 -3.959 2.561 6.544 1.00 0.00 C ATOM 98 O ASP A 6 -4.148 1.399 6.903 1.00 0.00 O ATOM 99 CB ASP A 6 -5.501 3.862 8.019 1.00 0.00 C ATOM 100 CG ASP A 6 -6.551 4.951 8.132 1.00 0.00 C ATOM 101 OD1 ASP A 6 -6.212 6.129 7.891 1.00 0.00 O ATOM 102 OD2 ASP A 6 -7.712 4.627 8.460 1.00 0.00 O ATOM 0 H ASP A 6 -6.298 2.064 5.731 1.00 0.00 H new ATOM 0 HA ASP A 6 -4.767 4.498 6.101 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -5.880 2.948 8.477 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -4.616 4.157 8.582 1.00 0.00 H new ATOM 107 N ILE A 7 -2.772 3.013 6.126 1.00 0.00 N ATOM 108 CA ILE A 7 -1.590 2.150 6.058 1.00 0.00 C ATOM 109 C ILE A 7 -0.831 2.195 7.391 1.00 0.00 C ATOM 110 O ILE A 7 -0.655 3.267 7.974 1.00 0.00 O ATOM 111 CB ILE A 7 -0.677 2.559 4.866 1.00 0.00 C ATOM 112 CG1 ILE A 7 -1.473 2.424 3.566 1.00 0.00 C ATOM 113 CG2 ILE A 7 0.603 1.714 4.799 1.00 0.00 C ATOM 114 CD1 ILE A 7 -0.840 3.130 2.390 1.00 0.00 C ATOM 0 H ILE A 7 -2.605 3.974 5.829 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.910 1.123 5.884 1.00 0.00 H new ATOM 0 HB ILE A 7 -0.364 3.593 5.012 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.584 1.366 3.327 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.476 2.823 3.721 1.00 0.00 H new ATOM 0 HG21 ILE A 7 1.208 2.036 3.951 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.172 1.842 5.720 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.339 0.663 4.678 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.460 2.990 1.505 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.754 4.194 2.608 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.151 2.716 2.207 1.00 0.00 H new ATOM 126 N VAL A 8 -0.418 1.019 7.883 1.00 0.00 N ATOM 127 CA VAL A 8 0.287 0.915 9.166 1.00 0.00 C ATOM 128 C VAL A 8 1.513 -0.015 9.047 1.00 0.00 C ATOM 129 O VAL A 8 1.342 -1.180 8.712 1.00 0.00 O ATOM 130 CB VAL A 8 -0.669 0.337 10.243 1.00 0.00 C ATOM 131 CG1 VAL A 8 -0.005 0.266 11.616 1.00 0.00 C ATOM 132 CG2 VAL A 8 -1.960 1.146 10.325 1.00 0.00 C ATOM 0 H VAL A 8 -0.561 0.126 7.411 1.00 0.00 H new ATOM 0 HA VAL A 8 0.620 1.913 9.450 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.912 -0.680 9.935 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.709 -0.144 12.340 1.00 0.00 H new ATOM 0 HG12 VAL A 8 0.875 -0.375 11.562 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.294 1.267 11.928 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.610 0.718 11.088 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.727 2.178 10.585 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.467 1.121 9.360 1.00 0.00 H new ATOM 142 N PRO A 9 2.765 0.451 9.320 1.00 0.00 N ATOM 143 CA PRO A 9 3.092 1.833 9.735 1.00 0.00 C ATOM 144 C PRO A 9 2.819 2.866 8.643 1.00 0.00 C ATOM 145 O PRO A 9 2.941 2.568 7.452 1.00 0.00 O ATOM 146 CB PRO A 9 4.598 1.764 10.040 1.00 0.00 C ATOM 147 CG PRO A 9 5.097 0.622 9.223 1.00 0.00 C ATOM 148 CD PRO A 9 3.982 -0.383 9.231 1.00 0.00 C ATOM 0 HA PRO A 9 2.479 2.153 10.578 1.00 0.00 H new ATOM 0 HB2 PRO A 9 5.100 2.693 9.770 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.780 1.600 11.102 1.00 0.00 H new ATOM 0 HG2 PRO A 9 5.335 0.938 8.207 1.00 0.00 H new ATOM 0 HG3 PRO A 9 6.009 0.202 9.648 1.00 0.00 H new ATOM 0 HD2 PRO A 9 3.985 -0.993 8.328 1.00 0.00 H new ATOM 0 HD3 PRO A 9 4.063 -1.066 10.077 1.00 0.00 H new ATOM 156 N SER A 10 2.474 4.090 9.062 1.00 0.00 N ATOM 157 CA SER A 10 2.212 5.183 8.126 1.00 0.00 C ATOM 158 C SER A 10 3.519 5.650 7.495 1.00 0.00 C ATOM 159 O SER A 10 3.577 5.919 6.294 1.00 0.00 O ATOM 160 CB SER A 10 1.525 6.353 8.834 1.00 0.00 C ATOM 161 OG SER A 10 2.417 7.008 9.719 1.00 0.00 O ATOM 0 H SER A 10 2.371 4.345 10.044 1.00 0.00 H new ATOM 0 HA SER A 10 1.546 4.816 7.345 1.00 0.00 H new ATOM 0 HB2 SER A 10 1.155 7.063 8.094 1.00 0.00 H new ATOM 0 HB3 SER A 10 0.660 5.989 9.388 1.00 0.00 H new ATOM 0 HG SER A 10 1.955 7.753 10.158 1.00 0.00 H new ATOM 167 N GLN A 11 4.578 5.720 8.317 1.00 0.00 N ATOM 168 CA GLN A 11 5.903 6.124 7.852 1.00 0.00 C ATOM 169 C GLN A 11 6.853 4.932 7.923 1.00 0.00 C ATOM 170 O GLN A 11 7.044 4.354 8.997 1.00 0.00 O ATOM 171 CB GLN A 11 6.440 7.290 8.689 1.00 0.00 C ATOM 172 CG GLN A 11 6.459 7.022 10.185 1.00 0.00 C ATOM 173 CD GLN A 11 6.916 8.228 10.986 1.00 0.00 C ATOM 174 OE1 GLN A 11 6.374 9.323 10.837 1.00 0.00 O ATOM 175 NE2 GLN A 11 7.921 8.039 11.840 1.00 0.00 N ATOM 0 H GLN A 11 4.536 5.499 9.312 1.00 0.00 H new ATOM 0 HA GLN A 11 5.828 6.461 6.818 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.452 7.524 8.360 1.00 0.00 H new ATOM 0 HB3 GLN A 11 5.830 8.173 8.496 1.00 0.00 H new ATOM 0 HG2 GLN A 11 5.461 6.730 10.511 1.00 0.00 H new ATOM 0 HG3 GLN A 11 7.120 6.181 10.392 1.00 0.00 H new ATOM 0 HE21 GLN A 11 8.343 7.115 11.934 1.00 0.00 H new ATOM 0 HE22 GLN A 11 8.268 8.818 12.400 1.00 0.00 H new ATOM 184 N GLY A 12 7.416 4.541 6.770 1.00 0.00 N ATOM 185 CA GLY A 12 8.307 3.382 6.719 1.00 0.00 C ATOM 186 C GLY A 12 9.771 3.721 6.500 1.00 0.00 C ATOM 187 O GLY A 12 10.298 3.502 5.406 1.00 0.00 O ATOM 0 H GLY A 12 7.270 5.006 5.874 1.00 0.00 H new ATOM 0 HA2 GLY A 12 8.212 2.825 7.651 1.00 0.00 H new ATOM 0 HA3 GLY A 12 7.977 2.721 5.918 1.00 0.00 H new ATOM 191 N GLU A 13 10.442 4.211 7.549 1.00 0.00 N ATOM 192 CA GLU A 13 11.868 4.530 7.467 1.00 0.00 C ATOM 193 C GLU A 13 12.673 3.246 7.644 1.00 0.00 C ATOM 194 O GLU A 13 12.616 2.617 8.704 1.00 0.00 O ATOM 195 CB GLU A 13 12.264 5.553 8.534 1.00 0.00 C ATOM 196 CG GLU A 13 11.936 6.986 8.152 1.00 0.00 C ATOM 197 CD GLU A 13 12.007 7.935 9.332 1.00 0.00 C ATOM 198 OE1 GLU A 13 13.072 7.995 9.982 1.00 0.00 O ATOM 199 OE2 GLU A 13 10.998 8.618 9.607 1.00 0.00 O ATOM 0 H GLU A 13 10.021 4.394 8.460 1.00 0.00 H new ATOM 0 HA GLU A 13 12.079 4.969 6.492 1.00 0.00 H new ATOM 0 HB2 GLU A 13 11.755 5.309 9.467 1.00 0.00 H new ATOM 0 HB3 GLU A 13 13.334 5.472 8.724 1.00 0.00 H new ATOM 0 HG2 GLU A 13 12.629 7.320 7.380 1.00 0.00 H new ATOM 0 HG3 GLU A 13 10.936 7.023 7.720 1.00 0.00 H new ATOM 206 N ILE A 14 13.396 2.844 6.596 1.00 0.00 N ATOM 207 CA ILE A 14 14.186 1.613 6.624 1.00 0.00 C ATOM 208 C ILE A 14 15.516 1.813 5.882 1.00 0.00 C ATOM 209 O ILE A 14 15.660 2.750 5.104 1.00 0.00 O ATOM 210 CB ILE A 14 13.340 0.441 6.009 1.00 0.00 C ATOM 211 CG1 ILE A 14 12.257 0.006 7.012 1.00 0.00 C ATOM 212 CG2 ILE A 14 14.177 -0.773 5.574 1.00 0.00 C ATOM 213 CD1 ILE A 14 10.953 0.765 6.869 1.00 0.00 C ATOM 0 H ILE A 14 13.450 3.356 5.715 1.00 0.00 H new ATOM 0 HA ILE A 14 14.431 1.353 7.654 1.00 0.00 H new ATOM 0 HB ILE A 14 12.886 0.832 5.098 1.00 0.00 H new ATOM 0 HG12 ILE A 14 12.063 -1.059 6.884 1.00 0.00 H new ATOM 0 HG13 ILE A 14 12.637 0.142 8.025 1.00 0.00 H new ATOM 0 HG21 ILE A 14 13.520 -1.538 5.160 1.00 0.00 H new ATOM 0 HG22 ILE A 14 14.898 -0.465 4.817 1.00 0.00 H new ATOM 0 HG23 ILE A 14 14.707 -1.177 6.436 1.00 0.00 H new ATOM 0 HD11 ILE A 14 10.239 0.404 7.609 1.00 0.00 H new ATOM 0 HD12 ILE A 14 11.132 1.829 7.027 1.00 0.00 H new ATOM 0 HD13 ILE A 14 10.549 0.609 5.869 1.00 0.00 H new ATOM 225 N SER A 15 16.479 0.922 6.134 1.00 0.00 N ATOM 226 CA SER A 15 17.789 0.993 5.486 1.00 0.00 C ATOM 227 C SER A 15 17.810 0.128 4.225 1.00 0.00 C ATOM 228 O SER A 15 17.069 -0.858 4.117 1.00 0.00 O ATOM 229 CB SER A 15 18.904 0.556 6.449 1.00 0.00 C ATOM 230 OG SER A 15 18.414 -0.312 7.459 1.00 0.00 O ATOM 0 H SER A 15 16.374 0.142 6.783 1.00 0.00 H new ATOM 0 HA SER A 15 17.969 2.030 5.203 1.00 0.00 H new ATOM 0 HB2 SER A 15 19.693 0.054 5.889 1.00 0.00 H new ATOM 0 HB3 SER A 15 19.352 1.436 6.911 1.00 0.00 H new ATOM 0 HG SER A 15 19.149 -0.572 8.052 1.00 0.00 H new ATOM 236 N VAL A 16 18.682 0.494 3.277 1.00 0.00 N ATOM 237 CA VAL A 16 18.817 -0.249 2.020 1.00 0.00 C ATOM 238 C VAL A 16 19.297 -1.675 2.301 1.00 0.00 C ATOM 239 O VAL A 16 20.106 -1.898 3.208 1.00 0.00 O ATOM 240 CB VAL A 16 19.775 0.475 1.029 1.00 0.00 C ATOM 241 CG1 VAL A 16 19.864 -0.248 -0.314 1.00 0.00 C ATOM 242 CG2 VAL A 16 19.321 1.912 0.808 1.00 0.00 C ATOM 0 H VAL A 16 19.303 1.299 3.357 1.00 0.00 H new ATOM 0 HA VAL A 16 17.836 -0.296 1.546 1.00 0.00 H new ATOM 0 HB VAL A 16 20.768 0.469 1.479 1.00 0.00 H new ATOM 0 HG11 VAL A 16 20.543 0.292 -0.974 1.00 0.00 H new ATOM 0 HG12 VAL A 16 20.238 -1.260 -0.158 1.00 0.00 H new ATOM 0 HG13 VAL A 16 18.875 -0.293 -0.769 1.00 0.00 H new ATOM 0 HG21 VAL A 16 20.000 2.405 0.113 1.00 0.00 H new ATOM 0 HG22 VAL A 16 18.313 1.915 0.394 1.00 0.00 H new ATOM 0 HG23 VAL A 16 19.325 2.445 1.759 1.00 0.00 H new ATOM 252 N GLY A 17 18.749 -2.635 1.549 1.00 0.00 N ATOM 253 CA GLY A 17 19.081 -4.035 1.763 1.00 0.00 C ATOM 254 C GLY A 17 18.117 -4.715 2.737 1.00 0.00 C ATOM 255 O GLY A 17 18.105 -5.944 2.836 1.00 0.00 O ATOM 0 H GLY A 17 18.082 -2.465 0.797 1.00 0.00 H new ATOM 0 HA2 GLY A 17 19.062 -4.561 0.809 1.00 0.00 H new ATOM 0 HA3 GLY A 17 20.098 -4.111 2.148 1.00 0.00 H new ATOM 259 N GLU A 18 17.300 -3.917 3.456 1.00 0.00 N ATOM 260 CA GLU A 18 16.334 -4.445 4.412 1.00 0.00 C ATOM 261 C GLU A 18 14.943 -4.409 3.796 1.00 0.00 C ATOM 262 O GLU A 18 14.705 -3.652 2.849 1.00 0.00 O ATOM 263 CB GLU A 18 16.340 -3.610 5.701 1.00 0.00 C ATOM 264 CG GLU A 18 17.721 -3.276 6.238 1.00 0.00 C ATOM 265 CD GLU A 18 18.337 -4.419 7.021 1.00 0.00 C ATOM 266 OE1 GLU A 18 18.911 -5.331 6.388 1.00 0.00 O ATOM 267 OE2 GLU A 18 18.243 -4.404 8.266 1.00 0.00 O ATOM 0 H GLU A 18 17.299 -2.900 3.384 1.00 0.00 H new ATOM 0 HA GLU A 18 16.608 -5.471 4.656 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.803 -2.680 5.517 1.00 0.00 H new ATOM 0 HB3 GLU A 18 15.788 -4.150 6.470 1.00 0.00 H new ATOM 0 HG2 GLU A 18 18.376 -3.016 5.407 1.00 0.00 H new ATOM 0 HG3 GLU A 18 17.654 -2.397 6.879 1.00 0.00 H new ATOM 274 N SER A 19 14.020 -5.215 4.330 1.00 0.00 N ATOM 275 CA SER A 19 12.649 -5.252 3.819 1.00 0.00 C ATOM 276 C SER A 19 11.749 -4.311 4.621 1.00 0.00 C ATOM 277 O SER A 19 12.155 -3.791 5.662 1.00 0.00 O ATOM 278 CB SER A 19 12.100 -6.682 3.818 1.00 0.00 C ATOM 279 OG SER A 19 12.141 -7.250 5.117 1.00 0.00 O ATOM 0 H SER A 19 14.197 -5.846 5.111 1.00 0.00 H new ATOM 0 HA SER A 19 12.661 -4.905 2.786 1.00 0.00 H new ATOM 0 HB2 SER A 19 11.073 -6.680 3.452 1.00 0.00 H new ATOM 0 HB3 SER A 19 12.682 -7.297 3.131 1.00 0.00 H new ATOM 0 HG SER A 19 11.783 -8.162 5.087 1.00 0.00 H new ATOM 285 N LYS A 20 10.539 -4.075 4.109 1.00 0.00 N ATOM 286 CA LYS A 20 9.580 -3.166 4.748 1.00 0.00 C ATOM 287 C LYS A 20 8.198 -3.340 4.131 1.00 0.00 C ATOM 288 O LYS A 20 8.003 -3.047 2.947 1.00 0.00 O ATOM 289 CB LYS A 20 10.029 -1.690 4.596 1.00 0.00 C ATOM 290 CG LYS A 20 10.695 -1.386 3.251 1.00 0.00 C ATOM 291 CD LYS A 20 10.420 0.029 2.735 1.00 0.00 C ATOM 292 CE LYS A 20 10.495 0.064 1.212 1.00 0.00 C ATOM 293 NZ LYS A 20 10.433 1.436 0.635 1.00 0.00 N ATOM 0 H LYS A 20 10.197 -4.503 3.249 1.00 0.00 H new ATOM 0 HA LYS A 20 9.539 -3.413 5.809 1.00 0.00 H new ATOM 0 HB2 LYS A 20 9.162 -1.041 4.717 1.00 0.00 H new ATOM 0 HB3 LYS A 20 10.724 -1.446 5.399 1.00 0.00 H new ATOM 0 HG2 LYS A 20 11.772 -1.525 3.349 1.00 0.00 H new ATOM 0 HG3 LYS A 20 10.347 -2.107 2.512 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.434 0.358 3.064 1.00 0.00 H new ATOM 0 HD3 LYS A 20 11.146 0.724 3.157 1.00 0.00 H new ATOM 0 HE2 LYS A 20 11.422 -0.412 0.893 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.676 -0.528 0.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 10.835 1.428 -0.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.443 1.750 0.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 10.978 2.089 1.233 1.00 0.00 H new ATOM 307 N PHE A 21 7.236 -3.809 4.935 1.00 0.00 N ATOM 308 CA PHE A 21 5.865 -4.001 4.460 1.00 0.00 C ATOM 309 C PHE A 21 4.894 -3.170 5.276 1.00 0.00 C ATOM 310 O PHE A 21 5.158 -2.872 6.444 1.00 0.00 O ATOM 311 CB PHE A 21 5.462 -5.485 4.457 1.00 0.00 C ATOM 312 CG PHE A 21 5.328 -6.126 5.814 1.00 0.00 C ATOM 313 CD1 PHE A 21 4.133 -6.067 6.529 1.00 0.00 C ATOM 314 CD2 PHE A 21 6.405 -6.792 6.368 1.00 0.00 C ATOM 315 CE1 PHE A 21 4.031 -6.664 7.773 1.00 0.00 C ATOM 316 CE2 PHE A 21 6.305 -7.390 7.610 1.00 0.00 C ATOM 317 CZ PHE A 21 5.118 -7.325 8.312 1.00 0.00 C ATOM 0 H PHE A 21 7.383 -4.061 5.912 1.00 0.00 H new ATOM 0 HA PHE A 21 5.824 -3.658 3.426 1.00 0.00 H new ATOM 0 HB2 PHE A 21 4.511 -5.584 3.933 1.00 0.00 H new ATOM 0 HB3 PHE A 21 6.202 -6.043 3.883 1.00 0.00 H new ATOM 0 HD1 PHE A 21 3.281 -5.552 6.109 1.00 0.00 H new ATOM 0 HD2 PHE A 21 7.336 -6.846 5.824 1.00 0.00 H new ATOM 0 HE1 PHE A 21 3.102 -6.613 8.322 1.00 0.00 H new ATOM 0 HE2 PHE A 21 7.154 -7.908 8.031 1.00 0.00 H new ATOM 0 HZ PHE A 21 5.039 -7.791 9.283 1.00 0.00 H new ATOM 327 N PHE A 22 3.777 -2.780 4.654 1.00 0.00 N ATOM 328 CA PHE A 22 2.773 -1.952 5.340 1.00 0.00 C ATOM 329 C PHE A 22 1.371 -2.514 5.154 1.00 0.00 C ATOM 330 O PHE A 22 0.905 -2.712 4.030 1.00 0.00 O ATOM 331 CB PHE A 22 2.845 -0.487 4.881 1.00 0.00 C ATOM 332 CG PHE A 22 4.254 0.004 4.667 1.00 0.00 C ATOM 333 CD1 PHE A 22 5.199 -0.122 5.673 1.00 0.00 C ATOM 334 CD2 PHE A 22 4.638 0.551 3.461 1.00 0.00 C ATOM 335 CE1 PHE A 22 6.500 0.283 5.481 1.00 0.00 C ATOM 336 CE2 PHE A 22 5.940 0.962 3.265 1.00 0.00 C ATOM 337 CZ PHE A 22 6.875 0.824 4.273 1.00 0.00 C ATOM 0 H PHE A 22 3.544 -3.019 3.690 1.00 0.00 H new ATOM 0 HA PHE A 22 3.003 -1.977 6.405 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.285 -0.377 3.953 1.00 0.00 H new ATOM 0 HB3 PHE A 22 2.357 0.143 5.624 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.909 -0.545 6.624 1.00 0.00 H new ATOM 0 HD2 PHE A 22 3.915 0.658 2.666 1.00 0.00 H new ATOM 0 HE1 PHE A 22 7.224 0.177 6.275 1.00 0.00 H new ATOM 0 HE2 PHE A 22 6.230 1.394 2.319 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.895 1.139 4.113 1.00 0.00 H new ATOM 347 N LEU A 23 0.726 -2.792 6.283 1.00 0.00 N ATOM 348 CA LEU A 23 -0.609 -3.366 6.307 1.00 0.00 C ATOM 349 C LEU A 23 -1.704 -2.325 6.068 1.00 0.00 C ATOM 350 O LEU A 23 -1.917 -1.441 6.895 1.00 0.00 O ATOM 351 CB LEU A 23 -0.838 -4.045 7.656 1.00 0.00 C ATOM 352 CG LEU A 23 -1.972 -5.047 7.668 1.00 0.00 C ATOM 353 CD1 LEU A 23 -1.657 -6.186 6.715 1.00 0.00 C ATOM 354 CD2 LEU A 23 -2.217 -5.569 9.073 1.00 0.00 C ATOM 0 H LEU A 23 1.119 -2.624 7.209 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.669 -4.089 5.493 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.080 -4.551 7.955 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.038 -3.279 8.405 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.884 -4.552 7.336 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.475 -6.906 6.726 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.533 -5.793 5.706 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.736 -6.678 7.028 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.036 -6.288 9.056 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.315 -6.056 9.443 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.476 -4.738 9.730 1.00 0.00 H new ATOM 366 N CYS A 24 -2.415 -2.457 4.943 1.00 0.00 N ATOM 367 CA CYS A 24 -3.502 -1.538 4.602 1.00 0.00 C ATOM 368 C CYS A 24 -4.832 -2.035 5.152 1.00 0.00 C ATOM 369 O CYS A 24 -5.435 -2.962 4.598 1.00 0.00 O ATOM 370 CB CYS A 24 -3.607 -1.365 3.087 1.00 0.00 C ATOM 371 SG CYS A 24 -4.425 0.171 2.560 1.00 0.00 S ATOM 0 H CYS A 24 -2.256 -3.192 4.254 1.00 0.00 H new ATOM 0 HA CYS A 24 -3.273 -0.574 5.057 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -2.604 -1.393 2.660 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -4.153 -2.213 2.674 1.00 0.00 H new ATOM 376 N GLN A 25 -5.291 -1.400 6.234 1.00 0.00 N ATOM 377 CA GLN A 25 -6.563 -1.753 6.860 1.00 0.00 C ATOM 378 C GLN A 25 -7.659 -0.839 6.334 1.00 0.00 C ATOM 379 O GLN A 25 -7.369 0.174 5.688 1.00 0.00 O ATOM 380 CB GLN A 25 -6.473 -1.635 8.381 1.00 0.00 C ATOM 381 CG GLN A 25 -5.495 -2.611 9.011 1.00 0.00 C ATOM 382 CD GLN A 25 -5.143 -2.240 10.440 1.00 0.00 C ATOM 383 OE1 GLN A 25 -5.981 -1.726 11.182 1.00 0.00 O ATOM 384 NE2 GLN A 25 -3.899 -2.495 10.837 1.00 0.00 N ATOM 0 H GLN A 25 -4.796 -0.636 6.694 1.00 0.00 H new ATOM 0 HA GLN A 25 -6.798 -2.788 6.611 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -6.177 -0.619 8.641 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -7.462 -1.798 8.809 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -5.925 -3.613 8.994 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -4.584 -2.645 8.413 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -3.235 -2.922 10.191 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.609 -2.264 11.787 1.00 0.00 H new ATOM 393 N VAL A 26 -8.919 -1.195 6.597 1.00 0.00 N ATOM 394 CA VAL A 26 -10.050 -0.397 6.128 1.00 0.00 C ATOM 395 C VAL A 26 -11.149 -0.297 7.191 1.00 0.00 C ATOM 396 O VAL A 26 -11.103 -0.988 8.210 1.00 0.00 O ATOM 397 CB VAL A 26 -10.631 -0.974 4.804 1.00 0.00 C ATOM 398 CG1 VAL A 26 -9.532 -1.138 3.762 1.00 0.00 C ATOM 399 CG2 VAL A 26 -11.337 -2.309 5.025 1.00 0.00 C ATOM 0 H VAL A 26 -9.179 -2.026 7.129 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.676 0.608 5.934 1.00 0.00 H new ATOM 0 HB VAL A 26 -11.369 -0.259 4.440 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -9.958 -1.542 2.844 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -9.079 -0.168 3.555 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.771 -1.821 4.140 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -11.727 -2.676 4.076 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.629 -3.032 5.430 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -12.159 -2.174 5.727 1.00 0.00 H new ATOM 409 N ALA A 27 -12.142 0.555 6.924 1.00 0.00 N ATOM 410 CA ALA A 27 -13.268 0.739 7.831 1.00 0.00 C ATOM 411 C ALA A 27 -14.506 1.160 7.048 1.00 0.00 C ATOM 412 O ALA A 27 -14.606 2.308 6.606 1.00 0.00 O ATOM 413 CB ALA A 27 -12.931 1.760 8.912 1.00 0.00 C ATOM 0 H ALA A 27 -12.185 1.129 6.082 1.00 0.00 H new ATOM 0 HA ALA A 27 -13.478 -0.210 8.325 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -13.786 1.881 9.577 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -12.071 1.413 9.485 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -12.694 2.717 8.447 1.00 0.00 H new ATOM 504 N ASP A 34 -12.769 -3.153 -2.854 1.00 0.00 N ATOM 505 CA ASP A 34 -11.602 -3.465 -3.681 1.00 0.00 C ATOM 506 C ASP A 34 -10.378 -2.723 -3.148 1.00 0.00 C ATOM 507 O ASP A 34 -10.527 -1.701 -2.483 1.00 0.00 O ATOM 508 CB ASP A 34 -11.858 -3.078 -5.141 1.00 0.00 C ATOM 509 CG ASP A 34 -10.784 -3.597 -6.077 1.00 0.00 C ATOM 510 OD1 ASP A 34 -10.462 -4.802 -6.001 1.00 0.00 O ATOM 511 OD2 ASP A 34 -10.263 -2.799 -6.883 1.00 0.00 O ATOM 0 HA ASP A 34 -11.418 -4.538 -3.637 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -12.827 -3.469 -5.452 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -11.912 -1.992 -5.222 1.00 0.00 H new ATOM 516 N ILE A 35 -9.175 -3.248 -3.435 1.00 0.00 N ATOM 517 CA ILE A 35 -7.919 -2.634 -2.970 1.00 0.00 C ATOM 518 C ILE A 35 -6.914 -2.478 -4.126 1.00 0.00 C ATOM 519 O ILE A 35 -6.935 -3.248 -5.087 1.00 0.00 O ATOM 520 CB ILE A 35 -7.270 -3.478 -1.830 1.00 0.00 C ATOM 521 CG1 ILE A 35 -8.290 -3.747 -0.711 1.00 0.00 C ATOM 522 CG2 ILE A 35 -6.016 -2.797 -1.263 1.00 0.00 C ATOM 523 CD1 ILE A 35 -9.126 -4.987 -0.943 1.00 0.00 C ATOM 0 H ILE A 35 -9.045 -4.096 -3.987 1.00 0.00 H new ATOM 0 HA ILE A 35 -8.169 -1.646 -2.583 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.961 -4.430 -2.261 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.760 -3.847 0.236 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.951 -2.885 -0.617 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.593 -3.415 -0.471 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.280 -2.670 -2.057 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.284 -1.821 -0.857 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -9.824 -5.116 -0.115 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -9.683 -4.881 -1.874 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.474 -5.858 -1.007 1.00 0.00 H new ATOM 535 N SER A 36 -6.032 -1.473 -4.010 1.00 0.00 N ATOM 536 CA SER A 36 -5.008 -1.203 -5.021 1.00 0.00 C ATOM 537 C SER A 36 -3.793 -0.523 -4.379 1.00 0.00 C ATOM 538 O SER A 36 -3.915 0.071 -3.309 1.00 0.00 O ATOM 539 CB SER A 36 -5.580 -0.316 -6.127 1.00 0.00 C ATOM 540 OG SER A 36 -6.482 -1.040 -6.947 1.00 0.00 O ATOM 0 H SER A 36 -6.011 -0.831 -3.217 1.00 0.00 H new ATOM 0 HA SER A 36 -4.691 -2.150 -5.457 1.00 0.00 H new ATOM 0 HB2 SER A 36 -6.092 0.538 -5.684 1.00 0.00 H new ATOM 0 HB3 SER A 36 -4.768 0.080 -6.736 1.00 0.00 H new ATOM 0 HG SER A 36 -6.652 -1.919 -6.549 1.00 0.00 H new ATOM 546 N TRP A 37 -2.621 -0.622 -5.028 1.00 0.00 N ATOM 547 CA TRP A 37 -1.380 -0.021 -4.503 1.00 0.00 C ATOM 548 C TRP A 37 -0.638 0.779 -5.578 1.00 0.00 C ATOM 549 O TRP A 37 -0.274 0.225 -6.616 1.00 0.00 O ATOM 550 CB TRP A 37 -0.460 -1.121 -3.967 1.00 0.00 C ATOM 551 CG TRP A 37 -0.773 -1.532 -2.559 1.00 0.00 C ATOM 552 CD1 TRP A 37 -1.523 -2.606 -2.173 1.00 0.00 C ATOM 553 CD2 TRP A 37 -0.354 -0.881 -1.352 1.00 0.00 C ATOM 554 NE1 TRP A 37 -1.584 -2.672 -0.805 1.00 0.00 N ATOM 555 CE2 TRP A 37 -0.878 -1.624 -0.277 1.00 0.00 C ATOM 556 CE3 TRP A 37 0.414 0.254 -1.073 1.00 0.00 C ATOM 557 CZ2 TRP A 37 -0.655 -1.271 1.050 1.00 0.00 C ATOM 558 CZ3 TRP A 37 0.628 0.607 0.250 1.00 0.00 C ATOM 559 CH2 TRP A 37 0.098 -0.156 1.296 1.00 0.00 C ATOM 0 H TRP A 37 -2.505 -1.111 -5.916 1.00 0.00 H new ATOM 0 HA TRP A 37 -1.657 0.663 -3.701 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -0.534 -1.993 -4.616 1.00 0.00 H new ATOM 0 HB3 TRP A 37 0.572 -0.775 -4.015 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -1.999 -3.302 -2.848 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -2.076 -3.386 -0.267 1.00 0.00 H new ATOM 0 HE3 TRP A 37 0.833 0.845 -1.874 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -1.063 -1.858 1.859 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 1.214 1.486 0.477 1.00 0.00 H new ATOM 0 HH2 TRP A 37 0.287 0.141 2.317 1.00 0.00 H new ATOM 570 N PHE A 38 -0.401 2.079 -5.312 1.00 0.00 N ATOM 571 CA PHE A 38 0.309 2.958 -6.264 1.00 0.00 C ATOM 572 C PHE A 38 1.595 3.532 -5.690 1.00 0.00 C ATOM 573 O PHE A 38 1.555 4.387 -4.808 1.00 0.00 O ATOM 574 CB PHE A 38 -0.566 4.138 -6.677 1.00 0.00 C ATOM 575 CG PHE A 38 -1.860 3.741 -7.300 1.00 0.00 C ATOM 576 CD1 PHE A 38 -2.878 3.227 -6.530 1.00 0.00 C ATOM 577 CD2 PHE A 38 -2.048 3.877 -8.659 1.00 0.00 C ATOM 578 CE1 PHE A 38 -4.077 2.851 -7.105 1.00 0.00 C ATOM 579 CE2 PHE A 38 -3.240 3.503 -9.249 1.00 0.00 C ATOM 580 CZ PHE A 38 -4.258 2.989 -8.468 1.00 0.00 C ATOM 0 H PHE A 38 -0.689 2.542 -4.450 1.00 0.00 H new ATOM 0 HA PHE A 38 0.546 2.325 -7.119 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -0.770 4.751 -5.799 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.012 4.761 -7.379 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.738 3.116 -5.465 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.254 4.281 -9.270 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.870 2.451 -6.491 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.376 3.612 -10.315 1.00 0.00 H new ATOM 0 HZ PHE A 38 -5.193 2.696 -8.922 1.00 0.00 H new ATOM 590 N SER A 39 2.736 3.101 -6.235 1.00 0.00 N ATOM 591 CA SER A 39 4.046 3.612 -5.802 1.00 0.00 C ATOM 592 C SER A 39 4.112 5.146 -5.952 1.00 0.00 C ATOM 593 O SER A 39 3.408 5.705 -6.812 1.00 0.00 O ATOM 594 CB SER A 39 5.177 2.954 -6.590 1.00 0.00 C ATOM 595 OG SER A 39 4.834 2.816 -7.958 1.00 0.00 O ATOM 0 H SER A 39 2.783 2.401 -6.975 1.00 0.00 H new ATOM 0 HA SER A 39 4.170 3.361 -4.749 1.00 0.00 H new ATOM 0 HB2 SER A 39 6.084 3.552 -6.498 1.00 0.00 H new ATOM 0 HB3 SER A 39 5.397 1.974 -6.167 1.00 0.00 H new ATOM 0 HG SER A 39 5.575 2.394 -8.440 1.00 0.00 H new ATOM 601 N PRO A 40 4.959 5.843 -5.117 1.00 0.00 N ATOM 602 CA PRO A 40 5.131 7.317 -5.107 1.00 0.00 C ATOM 603 C PRO A 40 4.952 7.979 -6.479 1.00 0.00 C ATOM 604 O PRO A 40 3.885 8.535 -6.758 1.00 0.00 O ATOM 605 CB PRO A 40 6.558 7.503 -4.531 1.00 0.00 C ATOM 606 CG PRO A 40 7.054 6.123 -4.205 1.00 0.00 C ATOM 607 CD PRO A 40 5.839 5.251 -4.103 1.00 0.00 C ATOM 0 HA PRO A 40 4.361 7.811 -4.514 1.00 0.00 H new ATOM 0 HB2 PRO A 40 7.211 7.992 -5.255 1.00 0.00 H new ATOM 0 HB3 PRO A 40 6.541 8.132 -3.641 1.00 0.00 H new ATOM 0 HG2 PRO A 40 7.729 5.760 -4.980 1.00 0.00 H new ATOM 0 HG3 PRO A 40 7.613 6.122 -3.269 1.00 0.00 H new ATOM 0 HD2 PRO A 40 6.066 4.207 -4.318 1.00 0.00 H new ATOM 0 HD3 PRO A 40 5.395 5.283 -3.108 1.00 0.00 H new ATOM 651 N LYS A 44 0.143 2.495 -10.060 1.00 0.00 N ATOM 652 CA LYS A 44 -0.113 1.108 -9.652 1.00 0.00 C ATOM 653 C LYS A 44 1.023 0.158 -10.052 1.00 0.00 C ATOM 654 O LYS A 44 1.415 0.096 -11.219 1.00 0.00 O ATOM 655 CB LYS A 44 -1.462 0.598 -10.161 1.00 0.00 C ATOM 656 CG LYS A 44 -2.194 -0.258 -9.130 1.00 0.00 C ATOM 657 CD LYS A 44 -3.179 -1.208 -9.793 1.00 0.00 C ATOM 658 CE LYS A 44 -4.258 -1.658 -8.824 1.00 0.00 C ATOM 659 NZ LYS A 44 -5.120 -2.725 -9.405 1.00 0.00 N ATOM 0 HA LYS A 44 -0.154 1.118 -8.563 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.088 1.448 -10.433 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -1.306 0.014 -11.068 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -1.470 -0.830 -8.550 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.724 0.388 -8.430 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.640 -0.716 -10.649 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -2.646 -2.079 -10.175 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.793 -2.025 -7.909 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.876 -0.804 -8.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.843 -3.003 -8.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.584 -2.367 -10.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.535 -3.551 -9.646 1.00 0.00 H new ATOM 673 N LEU A 45 1.550 -0.568 -9.056 1.00 0.00 N ATOM 674 CA LEU A 45 2.657 -1.512 -9.283 1.00 0.00 C ATOM 675 C LEU A 45 2.123 -2.913 -9.582 1.00 0.00 C ATOM 676 O LEU A 45 0.982 -3.237 -9.244 1.00 0.00 O ATOM 677 CB LEU A 45 3.662 -1.547 -8.093 1.00 0.00 C ATOM 678 CG LEU A 45 3.132 -1.115 -6.714 1.00 0.00 C ATOM 679 CD1 LEU A 45 2.096 -2.105 -6.206 1.00 0.00 C ATOM 680 CD2 LEU A 45 4.275 -0.967 -5.711 1.00 0.00 C ATOM 0 H LEU A 45 1.230 -0.521 -8.089 1.00 0.00 H new ATOM 0 HA LEU A 45 3.206 -1.153 -10.153 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.046 -2.563 -8.004 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.508 -0.908 -8.346 1.00 0.00 H new ATOM 0 HG LEU A 45 2.653 -0.142 -6.824 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.733 -1.783 -5.230 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.262 -2.151 -6.906 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.549 -3.092 -6.117 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.874 -0.661 -4.745 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.791 -1.921 -5.604 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.977 -0.213 -6.068 1.00 0.00 H new ATOM 692 N SER A 46 2.956 -3.732 -10.235 1.00 0.00 N ATOM 693 CA SER A 46 2.574 -5.097 -10.600 1.00 0.00 C ATOM 694 C SER A 46 2.594 -6.030 -9.382 1.00 0.00 C ATOM 695 O SER A 46 3.414 -5.848 -8.482 1.00 0.00 O ATOM 696 CB SER A 46 3.508 -5.641 -11.685 1.00 0.00 C ATOM 697 OG SER A 46 3.335 -4.942 -12.905 1.00 0.00 O ATOM 0 H SER A 46 3.900 -3.471 -10.521 1.00 0.00 H new ATOM 0 HA SER A 46 1.555 -5.062 -10.986 1.00 0.00 H new ATOM 0 HB2 SER A 46 4.543 -5.553 -11.356 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.312 -6.702 -11.839 1.00 0.00 H new ATOM 0 HG SER A 46 3.944 -5.307 -13.580 1.00 0.00 H new ATOM 703 N PRO A 47 1.693 -7.053 -9.330 1.00 0.00 N ATOM 704 CA PRO A 47 1.638 -8.001 -8.201 1.00 0.00 C ATOM 705 C PRO A 47 2.957 -8.750 -7.981 1.00 0.00 C ATOM 706 O PRO A 47 3.250 -9.172 -6.860 1.00 0.00 O ATOM 707 CB PRO A 47 0.522 -8.982 -8.600 1.00 0.00 C ATOM 708 CG PRO A 47 -0.299 -8.244 -9.596 1.00 0.00 C ATOM 709 CD PRO A 47 0.663 -7.373 -10.348 1.00 0.00 C ATOM 0 HA PRO A 47 1.454 -7.484 -7.259 1.00 0.00 H new ATOM 0 HB2 PRO A 47 0.934 -9.896 -9.027 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -0.074 -9.275 -7.736 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -0.812 -8.932 -10.268 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -1.067 -7.646 -9.105 1.00 0.00 H new ATOM 0 HD2 PRO A 47 1.091 -7.892 -11.205 1.00 0.00 H new ATOM 0 HD3 PRO A 47 0.179 -6.473 -10.729 1.00 0.00 H new ATOM 717 N ASN A 48 3.742 -8.917 -9.053 1.00 0.00 N ATOM 718 CA ASN A 48 5.021 -9.621 -8.971 1.00 0.00 C ATOM 719 C ASN A 48 6.021 -9.053 -9.984 1.00 0.00 C ATOM 720 O ASN A 48 6.244 -9.633 -11.052 1.00 0.00 O ATOM 721 CB ASN A 48 4.819 -11.130 -9.192 1.00 0.00 C ATOM 722 CG ASN A 48 4.051 -11.446 -10.469 1.00 0.00 C ATOM 723 OD1 ASN A 48 4.636 -11.559 -11.546 1.00 0.00 O ATOM 724 ND2 ASN A 48 2.732 -11.597 -10.355 1.00 0.00 N ATOM 0 H ASN A 48 3.511 -8.573 -9.985 1.00 0.00 H new ATOM 0 HA ASN A 48 5.431 -9.472 -7.972 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.792 -11.620 -9.229 1.00 0.00 H new ATOM 0 HB3 ASN A 48 4.284 -11.548 -8.340 1.00 0.00 H new ATOM 0 HD21 ASN A 48 2.170 -11.814 -11.178 1.00 0.00 H new ATOM 0 HD22 ASN A 48 2.284 -11.495 -9.444 1.00 0.00 H new ATOM 731 N GLN A 49 6.628 -7.910 -9.638 1.00 0.00 N ATOM 732 CA GLN A 49 7.613 -7.264 -10.519 1.00 0.00 C ATOM 733 C GLN A 49 9.029 -7.755 -10.211 1.00 0.00 C ATOM 734 O GLN A 49 9.627 -8.457 -11.032 1.00 0.00 O ATOM 735 CB GLN A 49 7.541 -5.716 -10.469 1.00 0.00 C ATOM 736 CG GLN A 49 7.116 -5.104 -9.133 1.00 0.00 C ATOM 737 CD GLN A 49 7.763 -3.753 -8.872 1.00 0.00 C ATOM 738 OE1 GLN A 49 8.882 -3.496 -9.316 1.00 0.00 O ATOM 739 NE2 GLN A 49 7.063 -2.879 -8.151 1.00 0.00 N ATOM 0 H GLN A 49 6.457 -7.416 -8.762 1.00 0.00 H new ATOM 0 HA GLN A 49 7.357 -7.556 -11.538 1.00 0.00 H new ATOM 0 HB2 GLN A 49 8.521 -5.318 -10.732 1.00 0.00 H new ATOM 0 HB3 GLN A 49 6.844 -5.380 -11.237 1.00 0.00 H new ATOM 0 HG2 GLN A 49 6.032 -4.992 -9.118 1.00 0.00 H new ATOM 0 HG3 GLN A 49 7.376 -5.789 -8.326 1.00 0.00 H new ATOM 0 HE21 GLN A 49 6.139 -3.131 -7.801 1.00 0.00 H new ATOM 0 HE22 GLN A 49 7.451 -1.958 -7.949 1.00 0.00 H new ATOM 748 N GLN A 50 9.565 -7.396 -9.037 1.00 0.00 N ATOM 749 CA GLN A 50 10.918 -7.822 -8.652 1.00 0.00 C ATOM 750 C GLN A 50 11.058 -7.943 -7.129 1.00 0.00 C ATOM 751 O GLN A 50 11.015 -9.048 -6.587 1.00 0.00 O ATOM 752 CB GLN A 50 12.019 -6.892 -9.244 1.00 0.00 C ATOM 753 CG GLN A 50 11.620 -6.136 -10.510 1.00 0.00 C ATOM 754 CD GLN A 50 12.765 -5.324 -11.095 1.00 0.00 C ATOM 755 OE1 GLN A 50 13.257 -4.388 -10.466 1.00 0.00 O ATOM 756 NE2 GLN A 50 13.196 -5.676 -12.306 1.00 0.00 N ATOM 0 H GLN A 50 9.089 -6.818 -8.344 1.00 0.00 H new ATOM 0 HA GLN A 50 11.068 -8.812 -9.082 1.00 0.00 H new ATOM 0 HB2 GLN A 50 12.308 -6.167 -8.483 1.00 0.00 H new ATOM 0 HB3 GLN A 50 12.901 -7.494 -9.462 1.00 0.00 H new ATOM 0 HG2 GLN A 50 11.266 -6.847 -11.256 1.00 0.00 H new ATOM 0 HG3 GLN A 50 10.787 -5.471 -10.283 1.00 0.00 H new ATOM 0 HE21 GLN A 50 12.761 -6.459 -12.795 1.00 0.00 H new ATOM 0 HE22 GLN A 50 13.961 -5.163 -12.744 1.00 0.00 H new ATOM 765 N ARG A 51 11.237 -6.810 -6.451 1.00 0.00 N ATOM 766 CA ARG A 51 11.400 -6.781 -4.993 1.00 0.00 C ATOM 767 C ARG A 51 10.105 -6.405 -4.275 1.00 0.00 C ATOM 768 O ARG A 51 9.858 -6.862 -3.154 1.00 0.00 O ATOM 769 CB ARG A 51 12.509 -5.797 -4.619 1.00 0.00 C ATOM 770 CG ARG A 51 13.895 -6.278 -5.024 1.00 0.00 C ATOM 771 CD ARG A 51 14.834 -5.120 -5.352 1.00 0.00 C ATOM 772 NE ARG A 51 15.928 -5.528 -6.244 1.00 0.00 N ATOM 773 CZ ARG A 51 16.801 -4.688 -6.821 1.00 0.00 C ATOM 774 NH1 ARG A 51 16.750 -3.373 -6.605 1.00 0.00 N ATOM 775 NH2 ARG A 51 17.739 -5.172 -7.624 1.00 0.00 N ATOM 0 H ARG A 51 11.273 -5.890 -6.891 1.00 0.00 H new ATOM 0 HA ARG A 51 11.670 -7.787 -4.670 1.00 0.00 H new ATOM 0 HB2 ARG A 51 12.311 -4.837 -5.095 1.00 0.00 H new ATOM 0 HB3 ARG A 51 12.489 -5.629 -3.542 1.00 0.00 H new ATOM 0 HG2 ARG A 51 14.322 -6.872 -4.216 1.00 0.00 H new ATOM 0 HG3 ARG A 51 13.811 -6.933 -5.891 1.00 0.00 H new ATOM 0 HD2 ARG A 51 14.266 -4.316 -5.820 1.00 0.00 H new ATOM 0 HD3 ARG A 51 15.251 -4.720 -4.428 1.00 0.00 H new ATOM 0 HE ARG A 51 16.032 -6.524 -6.439 1.00 0.00 H new ATOM 0 HH11 ARG A 51 16.036 -2.985 -5.989 1.00 0.00 H new ATOM 0 HH12 ARG A 51 17.425 -2.756 -7.056 1.00 0.00 H new ATOM 0 HH21 ARG A 51 17.793 -6.175 -7.799 1.00 0.00 H new ATOM 0 HH22 ARG A 51 18.407 -4.541 -8.067 1.00 0.00 H new ATOM 789 N ILE A 52 9.295 -5.553 -4.912 1.00 0.00 N ATOM 790 CA ILE A 52 8.037 -5.095 -4.322 1.00 0.00 C ATOM 791 C ILE A 52 6.881 -6.044 -4.672 1.00 0.00 C ATOM 792 O ILE A 52 6.327 -5.987 -5.771 1.00 0.00 O ATOM 793 CB ILE A 52 7.712 -3.641 -4.769 1.00 0.00 C ATOM 794 CG1 ILE A 52 8.891 -2.716 -4.425 1.00 0.00 C ATOM 795 CG2 ILE A 52 6.431 -3.134 -4.110 1.00 0.00 C ATOM 796 CD1 ILE A 52 8.736 -1.293 -4.924 1.00 0.00 C ATOM 0 H ILE A 52 9.490 -5.168 -5.836 1.00 0.00 H new ATOM 0 HA ILE A 52 8.157 -5.100 -3.239 1.00 0.00 H new ATOM 0 HB ILE A 52 7.555 -3.640 -5.848 1.00 0.00 H new ATOM 0 HG12 ILE A 52 9.018 -2.697 -3.343 1.00 0.00 H new ATOM 0 HG13 ILE A 52 9.803 -3.138 -4.846 1.00 0.00 H new ATOM 0 HG21 ILE A 52 6.230 -2.115 -4.442 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.598 -3.778 -4.391 1.00 0.00 H new ATOM 0 HG23 ILE A 52 6.550 -3.146 -3.027 1.00 0.00 H new ATOM 0 HD11 ILE A 52 9.611 -0.710 -4.638 1.00 0.00 H new ATOM 0 HD12 ILE A 52 8.641 -1.297 -6.010 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.844 -0.848 -4.483 1.00 0.00 H new ATOM 808 N SER A 53 6.530 -6.915 -3.717 1.00 0.00 N ATOM 809 CA SER A 53 5.448 -7.884 -3.889 1.00 0.00 C ATOM 810 C SER A 53 4.219 -7.488 -3.064 1.00 0.00 C ATOM 811 O SER A 53 4.311 -7.331 -1.848 1.00 0.00 O ATOM 812 CB SER A 53 5.931 -9.272 -3.454 1.00 0.00 C ATOM 813 OG SER A 53 4.929 -10.253 -3.662 1.00 0.00 O ATOM 0 H SER A 53 6.989 -6.965 -2.807 1.00 0.00 H new ATOM 0 HA SER A 53 5.165 -7.901 -4.941 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.827 -9.540 -4.014 1.00 0.00 H new ATOM 0 HB3 SER A 53 6.208 -9.250 -2.400 1.00 0.00 H new ATOM 0 HG SER A 53 5.265 -11.129 -3.378 1.00 0.00 H new ATOM 819 N VAL A 54 3.071 -7.335 -3.735 1.00 0.00 N ATOM 820 CA VAL A 54 1.816 -6.963 -3.063 1.00 0.00 C ATOM 821 C VAL A 54 0.990 -8.216 -2.749 1.00 0.00 C ATOM 822 O VAL A 54 1.167 -9.255 -3.391 1.00 0.00 O ATOM 823 CB VAL A 54 0.956 -6.008 -3.935 1.00 0.00 C ATOM 824 CG1 VAL A 54 -0.232 -5.466 -3.149 1.00 0.00 C ATOM 825 CG2 VAL A 54 1.789 -4.856 -4.483 1.00 0.00 C ATOM 0 H VAL A 54 2.983 -7.463 -4.743 1.00 0.00 H new ATOM 0 HA VAL A 54 2.087 -6.448 -2.142 1.00 0.00 H new ATOM 0 HB VAL A 54 0.580 -6.590 -4.776 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.816 -4.800 -3.785 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.859 -6.295 -2.819 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.128 -4.915 -2.280 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.157 -4.206 -5.089 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.209 -4.285 -3.655 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.597 -5.252 -5.098 1.00 0.00 H new ATOM 835 N VAL A 55 0.078 -8.107 -1.772 1.00 0.00 N ATOM 836 CA VAL A 55 -0.784 -9.230 -1.396 1.00 0.00 C ATOM 837 C VAL A 55 -2.135 -8.749 -0.854 1.00 0.00 C ATOM 838 O VAL A 55 -2.330 -7.562 -0.608 1.00 0.00 O ATOM 839 CB VAL A 55 -0.115 -10.176 -0.350 1.00 0.00 C ATOM 840 CG1 VAL A 55 1.261 -10.613 -0.827 1.00 0.00 C ATOM 841 CG2 VAL A 55 -0.031 -9.532 1.043 1.00 0.00 C ATOM 0 H VAL A 55 -0.079 -7.256 -1.232 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.946 -9.797 -2.313 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.750 -11.057 -0.257 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.711 -11.272 -0.084 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.166 -11.145 -1.774 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.894 -9.736 -0.965 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.441 -10.227 1.737 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.560 -8.618 0.986 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.035 -9.294 1.395 1.00 0.00 H new ATOM 851 N TRP A 56 -3.034 -9.705 -0.636 1.00 0.00 N ATOM 852 CA TRP A 56 -4.360 -9.440 -0.085 1.00 0.00 C ATOM 853 C TRP A 56 -4.707 -10.588 0.854 1.00 0.00 C ATOM 854 O TRP A 56 -4.759 -11.744 0.423 1.00 0.00 O ATOM 855 CB TRP A 56 -5.389 -9.303 -1.206 1.00 0.00 C ATOM 856 CG TRP A 56 -5.081 -8.161 -2.128 1.00 0.00 C ATOM 857 CD1 TRP A 56 -5.637 -6.911 -2.113 1.00 0.00 C ATOM 858 CD2 TRP A 56 -4.126 -8.161 -3.196 1.00 0.00 C ATOM 859 NE1 TRP A 56 -5.087 -6.141 -3.102 1.00 0.00 N ATOM 860 CE2 TRP A 56 -4.159 -6.883 -3.784 1.00 0.00 C ATOM 861 CE3 TRP A 56 -3.247 -9.118 -3.713 1.00 0.00 C ATOM 862 CZ2 TRP A 56 -3.348 -6.538 -4.862 1.00 0.00 C ATOM 863 CZ3 TRP A 56 -2.441 -8.774 -4.783 1.00 0.00 C ATOM 864 CH2 TRP A 56 -2.496 -7.492 -5.347 1.00 0.00 C ATOM 0 H TRP A 56 -2.862 -10.690 -0.838 1.00 0.00 H new ATOM 0 HA TRP A 56 -4.368 -8.499 0.465 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -5.424 -10.230 -1.779 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -6.378 -9.159 -0.772 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -6.398 -6.580 -1.422 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -5.329 -5.170 -3.300 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -3.198 -10.108 -3.284 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -3.390 -5.552 -5.300 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -1.758 -9.505 -5.191 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -1.853 -7.253 -6.181 1.00 0.00 H new ATOM 875 N ASN A 57 -4.881 -10.287 2.148 1.00 0.00 N ATOM 876 CA ASN A 57 -5.149 -11.339 3.151 1.00 0.00 C ATOM 877 C ASN A 57 -6.598 -11.343 3.629 1.00 0.00 C ATOM 878 O ASN A 57 -7.392 -12.170 3.173 1.00 0.00 O ATOM 879 CB ASN A 57 -4.161 -11.248 4.344 1.00 0.00 C ATOM 880 CG ASN A 57 -3.724 -9.831 4.695 1.00 0.00 C ATOM 881 OD1 ASN A 57 -4.181 -9.256 5.683 1.00 0.00 O ATOM 882 ND2 ASN A 57 -2.828 -9.261 3.887 1.00 0.00 N ATOM 0 H ASN A 57 -4.843 -9.340 2.526 1.00 0.00 H new ATOM 0 HA ASN A 57 -4.985 -12.293 2.650 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -4.627 -11.699 5.220 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -3.276 -11.841 4.113 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -2.498 -8.315 4.078 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -2.474 -9.771 3.078 1.00 0.00 H new ATOM 889 N ASP A 58 -6.951 -10.434 4.549 1.00 0.00 N ATOM 890 CA ASP A 58 -8.321 -10.365 5.078 1.00 0.00 C ATOM 891 C ASP A 58 -9.329 -10.109 3.958 1.00 0.00 C ATOM 892 O ASP A 58 -8.948 -9.994 2.792 1.00 0.00 O ATOM 893 CB ASP A 58 -8.440 -9.275 6.145 1.00 0.00 C ATOM 894 CG ASP A 58 -7.574 -9.555 7.358 1.00 0.00 C ATOM 895 OD1 ASP A 58 -7.731 -10.638 7.963 1.00 0.00 O ATOM 896 OD2 ASP A 58 -6.740 -8.693 7.706 1.00 0.00 O ATOM 0 H ASP A 58 -6.313 -9.741 4.940 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.546 -11.329 5.535 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.156 -8.315 5.713 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -9.481 -9.188 6.457 1.00 0.00 H new ATOM 901 N ASP A 59 -10.614 -10.024 4.318 1.00 0.00 N ATOM 902 CA ASP A 59 -11.682 -9.783 3.339 1.00 0.00 C ATOM 903 C ASP A 59 -11.450 -8.490 2.548 1.00 0.00 C ATOM 904 O ASP A 59 -11.835 -8.393 1.381 1.00 0.00 O ATOM 905 CB ASP A 59 -13.042 -9.721 4.043 1.00 0.00 C ATOM 906 CG ASP A 59 -14.186 -10.138 3.139 1.00 0.00 C ATOM 907 OD1 ASP A 59 -14.107 -11.236 2.548 1.00 0.00 O ATOM 908 OD2 ASP A 59 -15.164 -9.368 3.022 1.00 0.00 O ATOM 0 H ASP A 59 -10.941 -10.118 5.280 1.00 0.00 H new ATOM 0 HA ASP A 59 -11.672 -10.614 2.634 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -13.023 -10.368 4.920 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -13.217 -8.706 4.399 1.00 0.00 H new ATOM 913 N ASP A 60 -10.834 -7.494 3.201 1.00 0.00 N ATOM 914 CA ASP A 60 -10.571 -6.194 2.562 1.00 0.00 C ATOM 915 C ASP A 60 -9.164 -5.629 2.850 1.00 0.00 C ATOM 916 O ASP A 60 -8.757 -4.669 2.190 1.00 0.00 O ATOM 917 CB ASP A 60 -11.640 -5.166 2.981 1.00 0.00 C ATOM 918 CG ASP A 60 -12.013 -5.243 4.456 1.00 0.00 C ATOM 919 OD1 ASP A 60 -11.130 -5.570 5.277 1.00 0.00 O ATOM 920 OD2 ASP A 60 -13.188 -4.976 4.785 1.00 0.00 O ATOM 0 H ASP A 60 -10.510 -7.562 4.166 1.00 0.00 H new ATOM 0 HA ASP A 60 -10.618 -6.375 1.488 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -11.275 -4.163 2.759 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -12.536 -5.320 2.379 1.00 0.00 H new ATOM 925 N SER A 61 -8.423 -6.200 3.818 1.00 0.00 N ATOM 926 CA SER A 61 -7.076 -5.705 4.141 1.00 0.00 C ATOM 927 C SER A 61 -6.015 -6.327 3.227 1.00 0.00 C ATOM 928 O SER A 61 -6.068 -7.524 2.900 1.00 0.00 O ATOM 929 CB SER A 61 -6.727 -5.963 5.609 1.00 0.00 C ATOM 930 OG SER A 61 -5.523 -5.307 5.965 1.00 0.00 O ATOM 0 H SER A 61 -8.730 -6.993 4.382 1.00 0.00 H new ATOM 0 HA SER A 61 -7.082 -4.628 3.972 1.00 0.00 H new ATOM 0 HB2 SER A 61 -7.539 -5.613 6.247 1.00 0.00 H new ATOM 0 HB3 SER A 61 -6.626 -7.035 5.780 1.00 0.00 H new ATOM 0 HG SER A 61 -5.437 -4.478 5.449 1.00 0.00 H new ATOM 936 N SER A 62 -5.051 -5.496 2.808 1.00 0.00 N ATOM 937 CA SER A 62 -3.973 -5.928 1.918 1.00 0.00 C ATOM 938 C SER A 62 -2.617 -5.592 2.529 1.00 0.00 C ATOM 939 O SER A 62 -2.558 -5.223 3.697 1.00 0.00 O ATOM 940 CB SER A 62 -4.149 -5.238 0.560 1.00 0.00 C ATOM 941 OG SER A 62 -5.522 -5.175 0.191 1.00 0.00 O ATOM 0 H SER A 62 -4.999 -4.513 3.076 1.00 0.00 H new ATOM 0 HA SER A 62 -4.015 -7.008 1.780 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.735 -4.231 0.604 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.589 -5.780 -0.202 1.00 0.00 H new ATOM 0 HG SER A 62 -5.615 -5.393 -0.760 1.00 0.00 H new ATOM 947 N THR A 63 -1.532 -5.721 1.752 1.00 0.00 N ATOM 948 CA THR A 63 -0.194 -5.414 2.267 1.00 0.00 C ATOM 949 C THR A 63 0.818 -5.162 1.148 1.00 0.00 C ATOM 950 O THR A 63 0.917 -5.940 0.197 1.00 0.00 O ATOM 951 CB THR A 63 0.316 -6.539 3.169 1.00 0.00 C ATOM 952 OG1 THR A 63 -0.699 -6.989 4.044 1.00 0.00 O ATOM 953 CG2 THR A 63 1.497 -6.123 4.019 1.00 0.00 C ATOM 0 H THR A 63 -1.554 -6.031 0.780 1.00 0.00 H new ATOM 0 HA THR A 63 -0.291 -4.496 2.847 1.00 0.00 H new ATOM 0 HB THR A 63 0.627 -7.333 2.491 1.00 0.00 H new ATOM 0 HG1 THR A 63 -0.551 -7.934 4.259 1.00 0.00 H new ATOM 0 HG21 THR A 63 1.814 -6.963 4.637 1.00 0.00 H new ATOM 0 HG22 THR A 63 2.320 -5.817 3.373 1.00 0.00 H new ATOM 0 HG23 THR A 63 1.209 -5.289 4.659 1.00 0.00 H new ATOM 961 N LEU A 64 1.586 -4.078 1.294 1.00 0.00 N ATOM 962 CA LEU A 64 2.622 -3.708 0.333 1.00 0.00 C ATOM 963 C LEU A 64 3.978 -4.148 0.864 1.00 0.00 C ATOM 964 O LEU A 64 4.555 -3.461 1.706 1.00 0.00 O ATOM 965 CB LEU A 64 2.625 -2.178 0.133 1.00 0.00 C ATOM 966 CG LEU A 64 3.194 -1.586 -1.190 1.00 0.00 C ATOM 967 CD1 LEU A 64 3.961 -0.278 -0.921 1.00 0.00 C ATOM 968 CD2 LEU A 64 4.068 -2.576 -1.969 1.00 0.00 C ATOM 0 H LEU A 64 1.505 -3.435 2.082 1.00 0.00 H new ATOM 0 HA LEU A 64 2.422 -4.196 -0.621 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.596 -1.832 0.231 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.188 -1.740 0.957 1.00 0.00 H new ATOM 0 HG LEU A 64 2.333 -1.370 -1.823 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.349 0.116 -1.860 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.288 0.452 -0.471 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.789 -0.475 -0.241 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.433 -2.101 -2.880 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.915 -2.877 -1.353 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.479 -3.455 -2.229 1.00 0.00 H new ATOM 980 N THR A 65 4.476 -5.293 0.386 1.00 0.00 N ATOM 981 CA THR A 65 5.771 -5.815 0.834 1.00 0.00 C ATOM 982 C THR A 65 6.884 -5.325 -0.093 1.00 0.00 C ATOM 983 O THR A 65 6.760 -5.412 -1.311 1.00 0.00 O ATOM 984 CB THR A 65 5.758 -7.367 0.907 1.00 0.00 C ATOM 985 OG1 THR A 65 4.466 -7.888 0.637 1.00 0.00 O ATOM 986 CG2 THR A 65 6.176 -7.909 2.258 1.00 0.00 C ATOM 0 H THR A 65 4.005 -5.874 -0.308 1.00 0.00 H new ATOM 0 HA THR A 65 5.961 -5.440 1.840 1.00 0.00 H new ATOM 0 HB THR A 65 6.479 -7.682 0.153 1.00 0.00 H new ATOM 0 HG1 THR A 65 4.353 -7.998 -0.330 1.00 0.00 H new ATOM 0 HG21 THR A 65 6.144 -8.998 2.239 1.00 0.00 H new ATOM 0 HG22 THR A 65 7.190 -7.579 2.484 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.495 -7.540 3.025 1.00 0.00 H new ATOM 994 N ILE A 66 7.963 -4.803 0.494 1.00 0.00 N ATOM 995 CA ILE A 66 9.105 -4.299 -0.279 1.00 0.00 C ATOM 996 C ILE A 66 10.400 -4.893 0.274 1.00 0.00 C ATOM 997 O ILE A 66 10.976 -4.356 1.214 1.00 0.00 O ATOM 998 CB ILE A 66 9.162 -2.749 -0.244 1.00 0.00 C ATOM 999 CG1 ILE A 66 7.827 -2.175 -0.753 1.00 0.00 C ATOM 1000 CG2 ILE A 66 10.349 -2.203 -1.065 1.00 0.00 C ATOM 1001 CD1 ILE A 66 7.726 -0.664 -0.685 1.00 0.00 C ATOM 0 H ILE A 66 8.072 -4.717 1.505 1.00 0.00 H new ATOM 0 HA ILE A 66 8.984 -4.604 -1.318 1.00 0.00 H new ATOM 0 HB ILE A 66 9.319 -2.432 0.787 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.681 -2.490 -1.786 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.014 -2.608 -0.170 1.00 0.00 H new ATOM 0 HG21 ILE A 66 10.355 -1.114 -1.016 1.00 0.00 H new ATOM 0 HG22 ILE A 66 11.283 -2.590 -0.656 1.00 0.00 H new ATOM 0 HG23 ILE A 66 10.249 -2.519 -2.103 1.00 0.00 H new ATOM 0 HD11 ILE A 66 6.754 -0.347 -1.063 1.00 0.00 H new ATOM 0 HD12 ILE A 66 7.837 -0.338 0.349 1.00 0.00 H new ATOM 0 HD13 ILE A 66 8.514 -0.219 -1.292 1.00 0.00 H new ATOM 1013 N TYR A 67 10.835 -6.016 -0.311 1.00 0.00 N ATOM 1014 CA TYR A 67 12.056 -6.713 0.130 1.00 0.00 C ATOM 1015 C TYR A 67 13.306 -5.800 -0.010 1.00 0.00 C ATOM 1016 O TYR A 67 13.373 -4.778 0.667 1.00 0.00 O ATOM 1017 CB TYR A 67 12.185 -8.063 -0.622 1.00 0.00 C ATOM 1018 CG TYR A 67 10.899 -8.875 -0.666 1.00 0.00 C ATOM 1019 CD1 TYR A 67 10.100 -9.023 0.466 1.00 0.00 C ATOM 1020 CD2 TYR A 67 10.481 -9.480 -1.846 1.00 0.00 C ATOM 1021 CE1 TYR A 67 8.925 -9.751 0.421 1.00 0.00 C ATOM 1022 CE2 TYR A 67 9.307 -10.210 -1.897 1.00 0.00 C ATOM 1023 CZ TYR A 67 8.534 -10.343 -0.761 1.00 0.00 C ATOM 1024 OH TYR A 67 7.365 -11.067 -0.808 1.00 0.00 O ATOM 0 H TYR A 67 10.360 -6.465 -1.094 1.00 0.00 H new ATOM 0 HA TYR A 67 11.985 -6.944 1.193 1.00 0.00 H new ATOM 0 HB2 TYR A 67 12.514 -7.868 -1.643 1.00 0.00 H new ATOM 0 HB3 TYR A 67 12.963 -8.660 -0.145 1.00 0.00 H new ATOM 0 HD1 TYR A 67 10.403 -8.561 1.394 1.00 0.00 H new ATOM 0 HD2 TYR A 67 11.083 -9.378 -2.737 1.00 0.00 H new ATOM 0 HE1 TYR A 67 8.317 -9.855 1.307 1.00 0.00 H new ATOM 0 HE2 TYR A 67 8.997 -10.674 -2.822 1.00 0.00 H new ATOM 0 HH TYR A 67 7.233 -11.417 -1.714 1.00 0.00 H new ATOM 1034 N ASN A 68 14.297 -6.139 -0.868 1.00 0.00 N ATOM 1035 CA ASN A 68 15.505 -5.304 -1.043 1.00 0.00 C ATOM 1036 C ASN A 68 15.122 -3.834 -1.326 1.00 0.00 C ATOM 1037 O ASN A 68 14.835 -3.465 -2.466 1.00 0.00 O ATOM 1038 CB ASN A 68 16.394 -5.890 -2.170 1.00 0.00 C ATOM 1039 CG ASN A 68 17.559 -4.999 -2.614 1.00 0.00 C ATOM 1040 OD1 ASN A 68 17.938 -5.005 -3.786 1.00 0.00 O ATOM 1041 ND2 ASN A 68 18.138 -4.236 -1.688 1.00 0.00 N ATOM 0 H ASN A 68 14.283 -6.980 -1.446 1.00 0.00 H new ATOM 0 HA ASN A 68 16.080 -5.314 -0.117 1.00 0.00 H new ATOM 0 HB2 ASN A 68 16.796 -6.845 -1.833 1.00 0.00 H new ATOM 0 HB3 ASN A 68 15.765 -6.096 -3.036 1.00 0.00 H new ATOM 0 HD21 ASN A 68 18.920 -3.632 -1.941 1.00 0.00 H new ATOM 0 HD22 ASN A 68 17.799 -4.255 -0.726 1.00 0.00 H new ATOM 1048 N ALA A 69 15.099 -3.023 -0.262 1.00 0.00 N ATOM 1049 CA ALA A 69 14.728 -1.613 -0.363 1.00 0.00 C ATOM 1050 C ALA A 69 15.841 -0.776 -0.979 1.00 0.00 C ATOM 1051 O ALA A 69 17.018 -1.136 -0.896 1.00 0.00 O ATOM 1052 CB ALA A 69 14.354 -1.065 1.009 1.00 0.00 C ATOM 0 H ALA A 69 15.335 -3.325 0.683 1.00 0.00 H new ATOM 0 HA ALA A 69 13.863 -1.548 -1.024 1.00 0.00 H new ATOM 0 HB1 ALA A 69 14.080 -0.014 0.919 1.00 0.00 H new ATOM 0 HB2 ALA A 69 13.510 -1.627 1.408 1.00 0.00 H new ATOM 0 HB3 ALA A 69 15.205 -1.161 1.684 1.00 0.00 H new ATOM 1058 N ASN A 70 15.456 0.345 -1.600 1.00 0.00 N ATOM 1059 CA ASN A 70 16.413 1.248 -2.240 1.00 0.00 C ATOM 1060 C ASN A 70 15.936 2.704 -2.174 1.00 0.00 C ATOM 1061 O ASN A 70 14.734 2.985 -2.088 1.00 0.00 O ATOM 1062 CB ASN A 70 16.660 0.842 -3.703 1.00 0.00 C ATOM 1063 CG ASN A 70 15.382 0.507 -4.461 1.00 0.00 C ATOM 1064 OD1 ASN A 70 14.872 1.322 -5.227 1.00 0.00 O ATOM 1065 ND2 ASN A 70 14.858 -0.699 -4.247 1.00 0.00 N ATOM 0 H ASN A 70 14.484 0.647 -1.672 1.00 0.00 H new ATOM 0 HA ASN A 70 17.351 1.168 -1.691 1.00 0.00 H new ATOM 0 HB2 ASN A 70 17.176 1.654 -4.216 1.00 0.00 H new ATOM 0 HB3 ASN A 70 17.324 -0.022 -3.726 1.00 0.00 H new ATOM 0 HD21 ASN A 70 14.002 -0.976 -4.727 1.00 0.00 H new ATOM 0 HD22 ASN A 70 15.313 -1.346 -3.603 1.00 0.00 H new ATOM 1072 N ILE A 71 16.892 3.639 -2.217 1.00 0.00 N ATOM 1073 CA ILE A 71 16.582 5.074 -2.165 1.00 0.00 C ATOM 1074 C ILE A 71 15.556 5.493 -3.232 1.00 0.00 C ATOM 1075 O ILE A 71 14.825 6.468 -3.043 1.00 0.00 O ATOM 1076 CB ILE A 71 17.856 5.933 -2.320 1.00 0.00 C ATOM 1077 CG1 ILE A 71 18.626 5.541 -3.590 1.00 0.00 C ATOM 1078 CG2 ILE A 71 18.738 5.787 -1.086 1.00 0.00 C ATOM 1079 CD1 ILE A 71 19.822 6.424 -3.881 1.00 0.00 C ATOM 0 H ILE A 71 17.888 3.428 -2.288 1.00 0.00 H new ATOM 0 HA ILE A 71 16.145 5.250 -1.182 1.00 0.00 H new ATOM 0 HB ILE A 71 17.562 6.978 -2.416 1.00 0.00 H new ATOM 0 HG12 ILE A 71 18.964 4.509 -3.494 1.00 0.00 H new ATOM 0 HG13 ILE A 71 17.946 5.576 -4.441 1.00 0.00 H new ATOM 0 HG21 ILE A 71 19.634 6.396 -1.205 1.00 0.00 H new ATOM 0 HG22 ILE A 71 18.188 6.118 -0.205 1.00 0.00 H new ATOM 0 HG23 ILE A 71 19.024 4.742 -0.964 1.00 0.00 H new ATOM 0 HD11 ILE A 71 20.313 6.083 -4.793 1.00 0.00 H new ATOM 0 HD12 ILE A 71 19.491 7.454 -4.011 1.00 0.00 H new ATOM 0 HD13 ILE A 71 20.525 6.371 -3.049 1.00 0.00 H new ATOM 1091 N ASP A 72 15.493 4.736 -4.338 1.00 0.00 N ATOM 1092 CA ASP A 72 14.540 5.020 -5.410 1.00 0.00 C ATOM 1093 C ASP A 72 13.122 4.673 -4.956 1.00 0.00 C ATOM 1094 O ASP A 72 12.177 5.416 -5.232 1.00 0.00 O ATOM 1095 CB ASP A 72 14.903 4.241 -6.678 1.00 0.00 C ATOM 1096 CG ASP A 72 15.981 4.933 -7.489 1.00 0.00 C ATOM 1097 OD1 ASP A 72 15.867 6.158 -7.706 1.00 0.00 O ATOM 1098 OD2 ASP A 72 16.939 4.250 -7.907 1.00 0.00 O ATOM 0 H ASP A 72 16.090 3.927 -4.509 1.00 0.00 H new ATOM 0 HA ASP A 72 14.584 6.084 -5.642 1.00 0.00 H new ATOM 0 HB2 ASP A 72 15.243 3.242 -6.404 1.00 0.00 H new ATOM 0 HB3 ASP A 72 14.012 4.117 -7.293 1.00 0.00 H new ATOM 1103 N ASP A 73 12.982 3.545 -4.238 1.00 0.00 N ATOM 1104 CA ASP A 73 11.683 3.107 -3.721 1.00 0.00 C ATOM 1105 C ASP A 73 11.156 4.098 -2.681 1.00 0.00 C ATOM 1106 O ASP A 73 9.947 4.322 -2.588 1.00 0.00 O ATOM 1107 CB ASP A 73 11.789 1.704 -3.103 1.00 0.00 C ATOM 1108 CG ASP A 73 11.894 0.595 -4.142 1.00 0.00 C ATOM 1109 OD1 ASP A 73 12.211 0.892 -5.315 1.00 0.00 O ATOM 1110 OD2 ASP A 73 11.662 -0.577 -3.777 1.00 0.00 O ATOM 0 H ASP A 73 13.756 2.923 -4.005 1.00 0.00 H new ATOM 0 HA ASP A 73 10.983 3.068 -4.556 1.00 0.00 H new ATOM 0 HB2 ASP A 73 12.662 1.666 -2.452 1.00 0.00 H new ATOM 0 HB3 ASP A 73 10.916 1.524 -2.476 1.00 0.00 H new ATOM 1115 N ALA A 74 12.073 4.702 -1.901 1.00 0.00 N ATOM 1116 CA ALA A 74 11.700 5.687 -0.865 1.00 0.00 C ATOM 1117 C ALA A 74 10.780 6.798 -1.401 1.00 0.00 C ATOM 1118 O ALA A 74 11.226 7.672 -2.151 1.00 0.00 O ATOM 1119 CB ALA A 74 12.953 6.310 -0.257 1.00 0.00 C ATOM 0 H ALA A 74 13.076 4.526 -1.968 1.00 0.00 H new ATOM 0 HA ALA A 74 11.142 5.144 -0.102 1.00 0.00 H new ATOM 0 HB1 ALA A 74 12.666 7.034 0.505 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.564 5.529 0.196 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.525 6.812 -1.037 1.00 0.00 H new ATOM 1125 N GLY A 75 9.504 6.758 -0.996 1.00 0.00 N ATOM 1126 CA GLY A 75 8.541 7.763 -1.422 1.00 0.00 C ATOM 1127 C GLY A 75 7.160 7.526 -0.831 1.00 0.00 C ATOM 1128 O GLY A 75 6.963 6.568 -0.083 1.00 0.00 O ATOM 0 H GLY A 75 9.123 6.042 -0.377 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.895 8.751 -1.127 1.00 0.00 H new ATOM 0 HA3 GLY A 75 8.474 7.760 -2.510 1.00 0.00 H new ATOM 1132 N ILE A 76 6.209 8.406 -1.163 1.00 0.00 N ATOM 1133 CA ILE A 76 4.837 8.302 -0.654 1.00 0.00 C ATOM 1134 C ILE A 76 4.006 7.295 -1.474 1.00 0.00 C ATOM 1135 O ILE A 76 3.342 7.684 -2.440 1.00 0.00 O ATOM 1136 CB ILE A 76 4.122 9.691 -0.679 1.00 0.00 C ATOM 1137 CG1 ILE A 76 4.992 10.787 -0.028 1.00 0.00 C ATOM 1138 CG2 ILE A 76 2.744 9.621 -0.014 1.00 0.00 C ATOM 1139 CD1 ILE A 76 5.225 10.613 1.458 1.00 0.00 C ATOM 0 H ILE A 76 6.365 9.200 -1.784 1.00 0.00 H new ATOM 0 HA ILE A 76 4.908 7.949 0.375 1.00 0.00 H new ATOM 0 HB ILE A 76 3.976 9.960 -1.725 1.00 0.00 H new ATOM 0 HG12 ILE A 76 5.958 10.812 -0.533 1.00 0.00 H new ATOM 0 HG13 ILE A 76 4.519 11.755 -0.197 1.00 0.00 H new ATOM 0 HG21 ILE A 76 2.273 10.604 -0.048 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.120 8.901 -0.544 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.856 9.308 1.024 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.846 11.429 1.827 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.268 10.621 1.980 1.00 0.00 H new ATOM 0 HD13 ILE A 76 5.729 9.664 1.639 1.00 0.00 H new ATOM 1151 N TYR A 77 4.005 6.009 -1.067 1.00 0.00 N ATOM 1152 CA TYR A 77 3.199 4.993 -1.773 1.00 0.00 C ATOM 1153 C TYR A 77 1.713 5.287 -1.554 1.00 0.00 C ATOM 1154 O TYR A 77 1.367 6.222 -0.817 1.00 0.00 O ATOM 1155 CB TYR A 77 3.513 3.565 -1.312 1.00 0.00 C ATOM 1156 CG TYR A 77 4.871 3.028 -1.702 1.00 0.00 C ATOM 1157 CD1 TYR A 77 6.013 3.480 -1.066 1.00 0.00 C ATOM 1158 CD2 TYR A 77 5.002 2.034 -2.666 1.00 0.00 C ATOM 1159 CE1 TYR A 77 7.259 2.969 -1.377 1.00 0.00 C ATOM 1160 CE2 TYR A 77 6.239 1.511 -2.983 1.00 0.00 C ATOM 1161 CZ TYR A 77 7.368 1.982 -2.337 1.00 0.00 C ATOM 1162 OH TYR A 77 8.603 1.463 -2.651 1.00 0.00 O ATOM 0 H TYR A 77 4.539 5.656 -0.273 1.00 0.00 H new ATOM 0 HA TYR A 77 3.452 5.052 -2.832 1.00 0.00 H new ATOM 0 HB2 TYR A 77 3.427 3.528 -0.226 1.00 0.00 H new ATOM 0 HB3 TYR A 77 2.751 2.898 -1.715 1.00 0.00 H new ATOM 0 HD1 TYR A 77 5.929 4.248 -0.311 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.123 1.666 -3.174 1.00 0.00 H new ATOM 0 HE1 TYR A 77 8.140 3.338 -0.873 1.00 0.00 H new ATOM 0 HE2 TYR A 77 6.325 0.738 -3.732 1.00 0.00 H new ATOM 0 HH TYR A 77 8.663 1.324 -3.619 1.00 0.00 H new ATOM 1172 N LYS A 78 0.838 4.506 -2.196 1.00 0.00 N ATOM 1173 CA LYS A 78 -0.606 4.718 -2.086 1.00 0.00 C ATOM 1174 C LYS A 78 -1.380 3.414 -1.903 1.00 0.00 C ATOM 1175 O LYS A 78 -0.911 2.344 -2.272 1.00 0.00 O ATOM 1176 CB LYS A 78 -1.112 5.440 -3.343 1.00 0.00 C ATOM 1177 CG LYS A 78 -2.106 6.554 -3.052 1.00 0.00 C ATOM 1178 CD LYS A 78 -2.516 7.284 -4.322 1.00 0.00 C ATOM 1179 CE LYS A 78 -1.346 8.032 -4.942 1.00 0.00 C ATOM 1180 NZ LYS A 78 -1.797 9.207 -5.738 1.00 0.00 N ATOM 0 H LYS A 78 1.105 3.724 -2.795 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.779 5.325 -1.197 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -0.260 5.857 -3.879 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.580 4.712 -4.005 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.990 6.137 -2.570 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -1.665 7.262 -2.351 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.913 6.568 -5.042 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.318 7.986 -4.096 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -0.670 8.365 -4.155 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.781 7.355 -5.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -0.970 9.690 -6.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -2.422 8.887 -6.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -2.314 9.866 -5.122 1.00 0.00 H new ATOM 1194 N CYS A 79 -2.595 3.543 -1.371 1.00 0.00 N ATOM 1195 CA CYS A 79 -3.490 2.411 -1.156 1.00 0.00 C ATOM 1196 C CYS A 79 -4.914 2.840 -1.502 1.00 0.00 C ATOM 1197 O CYS A 79 -5.619 3.406 -0.663 1.00 0.00 O ATOM 1198 CB CYS A 79 -3.413 1.929 0.297 1.00 0.00 C ATOM 1199 SG CYS A 79 -4.070 0.249 0.561 1.00 0.00 S ATOM 0 H CYS A 79 -2.985 4.438 -1.077 1.00 0.00 H new ATOM 0 HA CYS A 79 -3.190 1.582 -1.797 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -2.373 1.956 0.623 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -3.963 2.626 0.929 1.00 0.00 H new ATOM 1204 N VAL A 80 -5.316 2.608 -2.760 1.00 0.00 N ATOM 1205 CA VAL A 80 -6.647 3.014 -3.232 1.00 0.00 C ATOM 1206 C VAL A 80 -7.660 1.877 -3.170 1.00 0.00 C ATOM 1207 O VAL A 80 -7.426 0.790 -3.695 1.00 0.00 O ATOM 1208 CB VAL A 80 -6.621 3.579 -4.677 1.00 0.00 C ATOM 1209 CG1 VAL A 80 -7.929 4.307 -4.984 1.00 0.00 C ATOM 1210 CG2 VAL A 80 -5.431 4.511 -4.885 1.00 0.00 C ATOM 0 H VAL A 80 -4.742 2.144 -3.465 1.00 0.00 H new ATOM 0 HA VAL A 80 -6.957 3.804 -2.548 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.513 2.741 -5.365 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -7.898 4.698 -6.001 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -8.763 3.612 -4.888 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -8.060 5.130 -4.282 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.440 4.891 -5.907 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.496 5.346 -4.187 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.505 3.963 -4.710 1.00 0.00 H new ATOM 1220 N VAL A 81 -8.807 2.164 -2.546 1.00 0.00 N ATOM 1221 CA VAL A 81 -9.898 1.204 -2.425 1.00 0.00 C ATOM 1222 C VAL A 81 -11.090 1.706 -3.255 1.00 0.00 C ATOM 1223 O VAL A 81 -11.172 2.898 -3.562 1.00 0.00 O ATOM 1224 CB VAL A 81 -10.266 0.988 -0.914 1.00 0.00 C ATOM 1225 CG1 VAL A 81 -11.730 0.596 -0.685 1.00 0.00 C ATOM 1226 CG2 VAL A 81 -9.340 -0.052 -0.292 1.00 0.00 C ATOM 0 H VAL A 81 -9.001 3.067 -2.113 1.00 0.00 H new ATOM 0 HA VAL A 81 -9.597 0.231 -2.814 1.00 0.00 H new ATOM 0 HB VAL A 81 -10.129 1.953 -0.426 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -11.909 0.464 0.382 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -12.381 1.382 -1.068 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -11.943 -0.337 -1.206 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.604 -0.194 0.756 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -9.445 -0.997 -0.824 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -8.308 0.291 -0.363 1.00 0.00 H new ATOM 1236 N THR A 82 -12.002 0.794 -3.621 1.00 0.00 N ATOM 1237 CA THR A 82 -13.176 1.167 -4.424 1.00 0.00 C ATOM 1238 C THR A 82 -14.459 0.516 -3.908 1.00 0.00 C ATOM 1239 O THR A 82 -14.422 -0.549 -3.290 1.00 0.00 O ATOM 1240 CB THR A 82 -12.965 0.782 -5.891 1.00 0.00 C ATOM 1241 OG1 THR A 82 -11.609 0.952 -6.268 1.00 0.00 O ATOM 1242 CG2 THR A 82 -13.818 1.591 -6.853 1.00 0.00 C ATOM 0 H THR A 82 -11.952 -0.195 -3.378 1.00 0.00 H new ATOM 0 HA THR A 82 -13.288 2.248 -4.338 1.00 0.00 H new ATOM 0 HB THR A 82 -13.263 -0.264 -5.959 1.00 0.00 H new ATOM 0 HG1 THR A 82 -11.497 0.699 -7.208 1.00 0.00 H new ATOM 0 HG21 THR A 82 -13.620 1.268 -7.875 1.00 0.00 H new ATOM 0 HG22 THR A 82 -14.872 1.438 -6.622 1.00 0.00 H new ATOM 0 HG23 THR A 82 -13.575 2.649 -6.753 1.00 0.00 H new ATOM 1250 N ALA A 83 -15.595 1.171 -4.187 1.00 0.00 N ATOM 1251 CA ALA A 83 -16.907 0.675 -3.780 1.00 0.00 C ATOM 1252 C ALA A 83 -17.617 0.016 -4.965 1.00 0.00 C ATOM 1253 O ALA A 83 -17.019 -0.156 -6.030 1.00 0.00 O ATOM 1254 CB ALA A 83 -17.744 1.816 -3.216 1.00 0.00 C ATOM 0 H ALA A 83 -15.625 2.053 -4.698 1.00 0.00 H new ATOM 0 HA ALA A 83 -16.776 -0.076 -3.001 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -18.721 1.437 -2.915 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -17.239 2.244 -2.350 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -17.872 2.584 -3.978 1.00 0.00 H new ATOM 1260 N GLU A 84 -18.890 -0.349 -4.776 1.00 0.00 N ATOM 1261 CA GLU A 84 -19.675 -0.990 -5.833 1.00 0.00 C ATOM 1262 C GLU A 84 -20.139 0.031 -6.876 1.00 0.00 C ATOM 1263 O GLU A 84 -20.039 -0.221 -8.078 1.00 0.00 O ATOM 1264 CB GLU A 84 -20.881 -1.716 -5.226 1.00 0.00 C ATOM 1265 CG GLU A 84 -21.693 -2.525 -6.228 1.00 0.00 C ATOM 1266 CD GLU A 84 -20.977 -3.779 -6.689 1.00 0.00 C ATOM 1267 OE1 GLU A 84 -21.118 -4.824 -6.020 1.00 0.00 O ATOM 1268 OE2 GLU A 84 -20.275 -3.716 -7.721 1.00 0.00 O ATOM 0 H GLU A 84 -19.397 -0.211 -3.902 1.00 0.00 H new ATOM 0 HA GLU A 84 -19.037 -1.717 -6.336 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -20.531 -2.382 -4.438 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -21.534 -0.981 -4.755 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -22.646 -2.801 -5.777 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -21.918 -1.902 -7.093 1.00 0.00 H new ATOM 1275 N ASP A 85 -20.652 1.174 -6.409 1.00 0.00 N ATOM 1276 CA ASP A 85 -21.141 2.221 -7.306 1.00 0.00 C ATOM 1277 C ASP A 85 -19.990 2.985 -7.968 1.00 0.00 C ATOM 1278 O ASP A 85 -20.123 3.438 -9.108 1.00 0.00 O ATOM 1279 CB ASP A 85 -22.064 3.188 -6.555 1.00 0.00 C ATOM 1280 CG ASP A 85 -21.385 3.864 -5.380 1.00 0.00 C ATOM 1281 OD1 ASP A 85 -21.297 3.238 -4.303 1.00 0.00 O ATOM 1282 OD2 ASP A 85 -20.944 5.020 -5.538 1.00 0.00 O ATOM 0 H ASP A 85 -20.738 1.395 -5.417 1.00 0.00 H new ATOM 0 HA ASP A 85 -21.711 1.733 -8.097 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -22.423 3.950 -7.247 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -22.938 2.644 -6.198 1.00 0.00 H new ATOM 1287 N GLY A 86 -18.862 3.120 -7.252 1.00 0.00 N ATOM 1288 CA GLY A 86 -17.702 3.827 -7.795 1.00 0.00 C ATOM 1289 C GLY A 86 -16.950 4.680 -6.778 1.00 0.00 C ATOM 1290 O GLY A 86 -15.858 5.163 -7.083 1.00 0.00 O ATOM 0 H GLY A 86 -18.734 2.753 -6.309 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -17.013 3.097 -8.219 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -18.032 4.466 -8.614 1.00 0.00 H new ATOM 1294 N THR A 87 -17.514 4.868 -5.573 1.00 0.00 N ATOM 1295 CA THR A 87 -16.858 5.669 -4.526 1.00 0.00 C ATOM 1296 C THR A 87 -15.542 5.009 -4.096 1.00 0.00 C ATOM 1297 O THR A 87 -15.547 3.898 -3.569 1.00 0.00 O ATOM 1298 CB THR A 87 -17.809 5.844 -3.319 1.00 0.00 C ATOM 1299 OG1 THR A 87 -18.936 6.624 -3.680 1.00 0.00 O ATOM 1300 CG2 THR A 87 -17.185 6.515 -2.104 1.00 0.00 C ATOM 0 H THR A 87 -18.417 4.479 -5.301 1.00 0.00 H new ATOM 0 HA THR A 87 -16.626 6.656 -4.927 1.00 0.00 H new ATOM 0 HB THR A 87 -18.076 4.824 -3.044 1.00 0.00 H new ATOM 0 HG1 THR A 87 -19.522 6.101 -4.266 1.00 0.00 H new ATOM 0 HG21 THR A 87 -17.928 6.593 -1.310 1.00 0.00 H new ATOM 0 HG22 THR A 87 -16.341 5.921 -1.754 1.00 0.00 H new ATOM 0 HG23 THR A 87 -16.839 7.512 -2.377 1.00 0.00 H new ATOM 1308 N GLN A 88 -14.423 5.707 -4.323 1.00 0.00 N ATOM 1309 CA GLN A 88 -13.102 5.191 -3.959 1.00 0.00 C ATOM 1310 C GLN A 88 -12.514 5.949 -2.773 1.00 0.00 C ATOM 1311 O GLN A 88 -12.552 7.180 -2.734 1.00 0.00 O ATOM 1312 CB GLN A 88 -12.136 5.299 -5.141 1.00 0.00 C ATOM 1313 CG GLN A 88 -12.642 4.642 -6.415 1.00 0.00 C ATOM 1314 CD GLN A 88 -12.147 5.335 -7.676 1.00 0.00 C ATOM 1315 OE1 GLN A 88 -12.939 5.713 -8.540 1.00 0.00 O ATOM 1316 NE2 GLN A 88 -10.830 5.505 -7.792 1.00 0.00 N ATOM 0 H GLN A 88 -14.408 6.630 -4.757 1.00 0.00 H new ATOM 0 HA GLN A 88 -13.232 4.145 -3.682 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -11.939 6.352 -5.341 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -11.185 4.844 -4.863 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -12.324 3.599 -6.431 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -13.732 4.643 -6.410 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -10.207 5.178 -7.054 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -10.446 5.962 -8.619 1.00 0.00 H new ATOM 1325 N SER A 89 -11.943 5.202 -1.826 1.00 0.00 N ATOM 1326 CA SER A 89 -11.303 5.786 -0.645 1.00 0.00 C ATOM 1327 C SER A 89 -9.854 5.330 -0.605 1.00 0.00 C ATOM 1328 O SER A 89 -9.586 4.154 -0.369 1.00 0.00 O ATOM 1329 CB SER A 89 -12.028 5.359 0.630 1.00 0.00 C ATOM 1330 OG SER A 89 -11.534 6.062 1.759 1.00 0.00 O ATOM 0 H SER A 89 -11.911 4.183 -1.855 1.00 0.00 H new ATOM 0 HA SER A 89 -11.350 6.873 -0.706 1.00 0.00 H new ATOM 0 HB2 SER A 89 -13.097 5.543 0.523 1.00 0.00 H new ATOM 0 HB3 SER A 89 -11.902 4.287 0.782 1.00 0.00 H new ATOM 0 HG SER A 89 -12.086 5.853 2.541 1.00 0.00 H new ATOM 1336 N GLU A 90 -8.921 6.248 -0.883 1.00 0.00 N ATOM 1337 CA GLU A 90 -7.497 5.907 -0.920 1.00 0.00 C ATOM 1338 C GLU A 90 -6.753 6.296 0.365 1.00 0.00 C ATOM 1339 O GLU A 90 -7.335 6.850 1.299 1.00 0.00 O ATOM 1340 CB GLU A 90 -6.832 6.560 -2.145 1.00 0.00 C ATOM 1341 CG GLU A 90 -6.728 8.079 -2.071 1.00 0.00 C ATOM 1342 CD GLU A 90 -6.653 8.728 -3.441 1.00 0.00 C ATOM 1343 OE1 GLU A 90 -5.536 8.833 -3.989 1.00 0.00 O ATOM 1344 OE2 GLU A 90 -7.713 9.131 -3.964 1.00 0.00 O ATOM 0 H GLU A 90 -9.126 7.227 -1.084 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.431 4.822 -0.999 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -5.831 6.145 -2.264 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.397 6.290 -3.037 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -7.591 8.472 -1.534 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -5.843 8.351 -1.496 1.00 0.00 H new ATOM 1351 N ALA A 91 -5.450 6.000 0.377 1.00 0.00 N ATOM 1352 CA ALA A 91 -4.576 6.304 1.506 1.00 0.00 C ATOM 1353 C ALA A 91 -3.145 6.502 1.011 1.00 0.00 C ATOM 1354 O ALA A 91 -2.885 6.400 -0.191 1.00 0.00 O ATOM 1355 CB ALA A 91 -4.628 5.188 2.544 1.00 0.00 C ATOM 0 H ALA A 91 -4.974 5.542 -0.400 1.00 0.00 H new ATOM 0 HA ALA A 91 -4.921 7.223 1.979 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -3.969 5.435 3.377 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -5.649 5.078 2.909 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -4.303 4.252 2.089 1.00 0.00 H new ATOM 1361 N THR A 92 -2.219 6.776 1.933 1.00 0.00 N ATOM 1362 CA THR A 92 -0.818 6.974 1.564 1.00 0.00 C ATOM 1363 C THR A 92 0.118 6.625 2.717 1.00 0.00 C ATOM 1364 O THR A 92 -0.250 6.730 3.887 1.00 0.00 O ATOM 1365 CB THR A 92 -0.570 8.417 1.104 1.00 0.00 C ATOM 1366 OG1 THR A 92 -1.418 9.322 1.791 1.00 0.00 O ATOM 1367 CG2 THR A 92 -0.790 8.617 -0.380 1.00 0.00 C ATOM 0 H THR A 92 -2.412 6.865 2.931 1.00 0.00 H new ATOM 0 HA THR A 92 -0.604 6.300 0.735 1.00 0.00 H new ATOM 0 HB THR A 92 0.478 8.614 1.331 1.00 0.00 H new ATOM 0 HG1 THR A 92 -1.241 10.235 1.482 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.598 9.658 -0.639 1.00 0.00 H new ATOM 0 HG22 THR A 92 -0.111 7.973 -0.939 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.820 8.364 -0.632 1.00 0.00 H new ATOM 1375 N VAL A 93 1.340 6.221 2.360 1.00 0.00 N ATOM 1376 CA VAL A 93 2.369 5.860 3.338 1.00 0.00 C ATOM 1377 C VAL A 93 3.684 6.559 2.973 1.00 0.00 C ATOM 1378 O VAL A 93 4.226 6.349 1.885 1.00 0.00 O ATOM 1379 CB VAL A 93 2.549 4.302 3.427 1.00 0.00 C ATOM 1380 CG1 VAL A 93 2.722 3.690 2.051 1.00 0.00 C ATOM 1381 CG2 VAL A 93 3.707 3.869 4.348 1.00 0.00 C ATOM 0 H VAL A 93 1.643 6.135 1.390 1.00 0.00 H new ATOM 0 HA VAL A 93 2.055 6.197 4.326 1.00 0.00 H new ATOM 0 HB VAL A 93 1.630 3.926 3.876 1.00 0.00 H new ATOM 0 HG11 VAL A 93 2.844 2.611 2.145 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.842 3.904 1.444 1.00 0.00 H new ATOM 0 HG13 VAL A 93 3.604 4.115 1.572 1.00 0.00 H new ATOM 0 HG21 VAL A 93 3.773 2.781 4.362 1.00 0.00 H new ATOM 0 HG22 VAL A 93 4.643 4.285 3.975 1.00 0.00 H new ATOM 0 HG23 VAL A 93 3.524 4.235 5.359 1.00 0.00 H new ATOM 1391 N ASN A 94 4.182 7.393 3.896 1.00 0.00 N ATOM 1392 CA ASN A 94 5.428 8.121 3.688 1.00 0.00 C ATOM 1393 C ASN A 94 6.602 7.193 3.989 1.00 0.00 C ATOM 1394 O ASN A 94 7.080 7.108 5.121 1.00 0.00 O ATOM 1395 CB ASN A 94 5.440 9.403 4.551 1.00 0.00 C ATOM 1396 CG ASN A 94 6.815 10.054 4.760 1.00 0.00 C ATOM 1397 OD1 ASN A 94 7.056 10.678 5.794 1.00 0.00 O ATOM 1398 ND2 ASN A 94 7.721 9.917 3.789 1.00 0.00 N ATOM 0 H ASN A 94 3.735 7.576 4.794 1.00 0.00 H new ATOM 0 HA ASN A 94 5.518 8.442 2.650 1.00 0.00 H new ATOM 0 HB2 ASN A 94 4.778 10.136 4.089 1.00 0.00 H new ATOM 0 HB3 ASN A 94 5.019 9.165 5.528 1.00 0.00 H new ATOM 0 HD21 ASN A 94 8.645 10.336 3.891 1.00 0.00 H new ATOM 0 HD22 ASN A 94 7.489 9.394 2.945 1.00 0.00 H new ATOM 1405 N VAL A 95 7.027 6.474 2.960 1.00 0.00 N ATOM 1406 CA VAL A 95 8.107 5.506 3.083 1.00 0.00 C ATOM 1407 C VAL A 95 9.464 6.124 2.768 1.00 0.00 C ATOM 1408 O VAL A 95 9.665 6.688 1.691 1.00 0.00 O ATOM 1409 CB VAL A 95 7.875 4.295 2.152 1.00 0.00 C ATOM 1410 CG1 VAL A 95 8.755 3.138 2.572 1.00 0.00 C ATOM 1411 CG2 VAL A 95 6.409 3.868 2.141 1.00 0.00 C ATOM 0 H VAL A 95 6.635 6.545 2.021 1.00 0.00 H new ATOM 0 HA VAL A 95 8.109 5.173 4.121 1.00 0.00 H new ATOM 0 HB VAL A 95 8.140 4.597 1.139 1.00 0.00 H new ATOM 0 HG11 VAL A 95 8.583 2.290 1.909 1.00 0.00 H new ATOM 0 HG12 VAL A 95 9.802 3.437 2.514 1.00 0.00 H new ATOM 0 HG13 VAL A 95 8.515 2.852 3.596 1.00 0.00 H new ATOM 0 HG21 VAL A 95 6.284 3.014 1.476 1.00 0.00 H new ATOM 0 HG22 VAL A 95 6.103 3.590 3.150 1.00 0.00 H new ATOM 0 HG23 VAL A 95 5.792 4.695 1.790 1.00 0.00 H new ATOM 1421 N LYS A 96 10.397 6.003 3.719 1.00 0.00 N ATOM 1422 CA LYS A 96 11.748 6.535 3.560 1.00 0.00 C ATOM 1423 C LYS A 96 12.765 5.398 3.459 1.00 0.00 C ATOM 1424 O LYS A 96 12.538 4.304 3.982 1.00 0.00 O ATOM 1425 CB LYS A 96 12.099 7.458 4.748 1.00 0.00 C ATOM 1426 CG LYS A 96 12.465 8.874 4.330 1.00 0.00 C ATOM 1427 CD LYS A 96 12.590 9.800 5.529 1.00 0.00 C ATOM 1428 CE LYS A 96 11.234 10.112 6.142 1.00 0.00 C ATOM 1429 NZ LYS A 96 11.242 11.412 6.869 1.00 0.00 N ATOM 0 H LYS A 96 10.236 5.537 4.612 1.00 0.00 H new ATOM 0 HA LYS A 96 11.785 7.115 2.638 1.00 0.00 H new ATOM 0 HB2 LYS A 96 11.250 7.497 5.430 1.00 0.00 H new ATOM 0 HB3 LYS A 96 12.932 7.024 5.301 1.00 0.00 H new ATOM 0 HG2 LYS A 96 13.407 8.860 3.782 1.00 0.00 H new ATOM 0 HG3 LYS A 96 11.706 9.260 3.650 1.00 0.00 H new ATOM 0 HD2 LYS A 96 13.231 9.339 6.280 1.00 0.00 H new ATOM 0 HD3 LYS A 96 13.073 10.728 5.223 1.00 0.00 H new ATOM 0 HE2 LYS A 96 10.478 10.139 5.357 1.00 0.00 H new ATOM 0 HE3 LYS A 96 10.953 9.313 6.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 10.300 11.590 7.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 11.946 11.378 7.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 11.486 12.178 6.209 1.00 0.00 H new ATOM 1443 N ILE A 97 13.902 5.686 2.820 1.00 0.00 N ATOM 1444 CA ILE A 97 14.984 4.716 2.686 1.00 0.00 C ATOM 1445 C ILE A 97 16.329 5.437 2.724 1.00 0.00 C ATOM 1446 O ILE A 97 16.517 6.452 2.054 1.00 0.00 O ATOM 1447 CB ILE A 97 14.887 3.832 1.411 1.00 0.00 C ATOM 1448 CG1 ILE A 97 13.446 3.289 1.242 1.00 0.00 C ATOM 1449 CG2 ILE A 97 15.910 2.692 1.506 1.00 0.00 C ATOM 1450 CD1 ILE A 97 13.268 2.234 0.159 1.00 0.00 C ATOM 0 H ILE A 97 14.094 6.589 2.386 1.00 0.00 H new ATOM 0 HA ILE A 97 14.891 4.033 3.531 1.00 0.00 H new ATOM 0 HB ILE A 97 15.116 4.430 0.529 1.00 0.00 H new ATOM 0 HG12 ILE A 97 13.121 2.867 2.193 1.00 0.00 H new ATOM 0 HG13 ILE A 97 12.784 4.126 1.022 1.00 0.00 H new ATOM 0 HG21 ILE A 97 15.845 2.070 0.614 1.00 0.00 H new ATOM 0 HG22 ILE A 97 16.914 3.110 1.585 1.00 0.00 H new ATOM 0 HG23 ILE A 97 15.699 2.086 2.387 1.00 0.00 H new ATOM 0 HD11 ILE A 97 12.224 1.922 0.123 1.00 0.00 H new ATOM 0 HD12 ILE A 97 13.555 2.651 -0.806 1.00 0.00 H new ATOM 0 HD13 ILE A 97 13.897 1.373 0.383 1.00 0.00 H new ATOM 1462 N PHE A 98 17.251 4.917 3.539 1.00 0.00 N ATOM 1463 CA PHE A 98 18.582 5.517 3.707 1.00 0.00 C ATOM 1464 C PHE A 98 19.673 4.530 3.285 1.00 0.00 C ATOM 1465 O PHE A 98 19.722 3.397 3.774 1.00 0.00 O ATOM 1466 CB PHE A 98 18.810 5.996 5.172 1.00 0.00 C ATOM 1467 CG PHE A 98 17.754 5.559 6.166 1.00 0.00 C ATOM 1468 CD1 PHE A 98 16.503 6.161 6.179 1.00 0.00 C ATOM 1469 CD2 PHE A 98 18.010 4.538 7.068 1.00 0.00 C ATOM 1470 CE1 PHE A 98 15.533 5.754 7.071 1.00 0.00 C ATOM 1471 CE2 PHE A 98 17.041 4.130 7.965 1.00 0.00 C ATOM 1472 CZ PHE A 98 15.801 4.739 7.965 1.00 0.00 C ATOM 0 H PHE A 98 17.101 4.077 4.097 1.00 0.00 H new ATOM 0 HA PHE A 98 18.637 6.393 3.061 1.00 0.00 H new ATOM 0 HB2 PHE A 98 19.779 5.629 5.511 1.00 0.00 H new ATOM 0 HB3 PHE A 98 18.862 7.085 5.177 1.00 0.00 H new ATOM 0 HD1 PHE A 98 16.287 6.957 5.482 1.00 0.00 H new ATOM 0 HD2 PHE A 98 18.977 4.056 7.070 1.00 0.00 H new ATOM 0 HE1 PHE A 98 14.564 6.230 7.069 1.00 0.00 H new ATOM 0 HE2 PHE A 98 17.253 3.336 8.665 1.00 0.00 H new ATOM 0 HZ PHE A 98 15.042 4.420 8.664 1.00 0.00 H new ATOM 1482 N GLN A 99 20.539 4.974 2.369 1.00 0.00 N ATOM 1483 CA GLN A 99 21.632 4.147 1.865 1.00 0.00 C ATOM 1484 C GLN A 99 22.880 4.311 2.728 1.00 0.00 C ATOM 1485 O GLN A 99 23.691 3.363 2.781 1.00 0.00 O ATOM 1486 CB GLN A 99 21.944 4.521 0.414 1.00 0.00 C ATOM 1487 CG GLN A 99 22.625 3.414 -0.372 1.00 0.00 C ATOM 1488 CD GLN A 99 23.262 3.919 -1.656 1.00 0.00 C ATOM 1489 OE1 GLN A 99 24.459 4.198 -1.695 1.00 0.00 O ATOM 1490 NE2 GLN A 99 22.463 4.041 -2.715 1.00 0.00 N ATOM 1491 OXT GLN A 99 23.035 5.387 3.343 1.00 0.00 O ATOM 0 H GLN A 99 20.501 5.908 1.961 1.00 0.00 H new ATOM 0 HA GLN A 99 21.321 3.103 1.908 1.00 0.00 H new ATOM 0 HB2 GLN A 99 21.016 4.793 -0.089 1.00 0.00 H new ATOM 0 HB3 GLN A 99 22.582 5.405 0.406 1.00 0.00 H new ATOM 0 HG2 GLN A 99 23.389 2.948 0.250 1.00 0.00 H new ATOM 0 HG3 GLN A 99 21.895 2.641 -0.612 1.00 0.00 H new ATOM 0 HE21 GLN A 99 21.475 3.798 -2.639 1.00 0.00 H new ATOM 0 HE22 GLN A 99 22.839 4.377 -3.602 1.00 0.00 H new