USER MOD reduce.3.24.130724 H: found=0, std=0, add=915, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 914 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: B 163 SER OG : rot -122:sc= 0.471 USER MOD Set 1.2: B 165 THR OG1 : rot 180:sc= 0.833 USER MOD Set 2.1: A 71 SER OG : rot -66:sc= 1.69 USER MOD Set 2.2: B 162 TYR OH : rot -172:sc= 1.39 USER MOD Set 3.1: A 115 LYS NZ :NH3+ 174:sc= 1.02 (180deg=0) USER MOD Set 3.2: A 116 SER OG : rot 67:sc= 1.96 USER MOD Set 3.3: A 120 HIS : no HD1:sc= -0.076 X(o=2.9,f=2.9) USER MOD Set 4.1: A 54 SER OG : rot 96:sc= 0.888 USER MOD Set 4.2: A 65 SER OG : rot -31:sc= 1.28 USER MOD Set 5.1: A 53 TYR OH : rot 180:sc= 0 USER MOD Set 5.2: A 61 HIS : no HD1:sc= -1.24 K(o=-1.2,f=-5.7!) USER MOD Set 6.1: A 25 SER OG : rot 130:sc= 0.147 USER MOD Set 6.2: A 27 SER OG : rot 180:sc= -0.13 USER MOD Single : A 8 GLN : amide:sc= -0.17 K(o=-0.17,f=-1.7) USER MOD Single : A 9 ASN : amide:sc= -0.527 X(o=-0.53,f=-0.37) USER MOD Single : A 13 THR OG1 : rot 92:sc= 1.27 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -168:sc= -0.0151 (180deg=-0.191) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.0138 USER MOD Single : A 34 THR OG1 : rot 85:sc= 1.26 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= -0.0274 X(o=-0.027,f=-0.13) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 161:sc= 0.674 (180deg=0.488) USER MOD Single : A 48 SER OG : rot 88:sc= 0.279 USER MOD Single : A 57 CYS SG : rot 95:sc= 0.152 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 164:sc= -0.019 (180deg=-0.27) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= -0.0801 USER MOD Single : A 80 THR OG1 : rot -160:sc= 0 USER MOD Single : A 93 THR OG1 : rot 5:sc= 0.78 USER MOD Single : A 94 CYS SG : rot 180:sc= -0.0362 USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 99 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 100 THR OG1 : rot 71:sc= 0.578 USER MOD Single : A 106 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 110 SER OG : rot -82:sc= 0.132 USER MOD Single : A 117 ASN : amide:sc= 0.412 K(o=0.41,f=-4.4!) USER MOD Single : A 118 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0829) USER MOD Single : A 126 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 161 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 78 N ASP A 6 -2.001 -5.822 20.493 1.00 0.00 N ATOM 79 CA ASP A 6 -1.934 -4.426 20.085 1.00 0.00 C ATOM 80 C ASP A 6 -1.281 -4.335 18.700 1.00 0.00 C ATOM 81 O ASP A 6 -1.573 -5.150 17.823 1.00 0.00 O ATOM 82 CB ASP A 6 -1.178 -3.655 21.172 1.00 0.00 C ATOM 83 CG ASP A 6 -1.323 -2.143 21.005 1.00 0.00 C ATOM 84 OD1 ASP A 6 -2.450 -1.644 21.221 1.00 0.00 O ATOM 85 OD2 ASP A 6 -0.305 -1.502 20.662 1.00 0.00 O ATOM 0 HA ASP A 6 -2.923 -3.977 19.987 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -1.552 -3.949 22.152 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -0.122 -3.924 21.140 1.00 0.00 H new ATOM 90 N PHE A 7 -0.400 -3.350 18.494 1.00 0.00 N ATOM 91 CA PHE A 7 0.355 -3.169 17.258 1.00 0.00 C ATOM 92 C PHE A 7 1.136 -4.437 16.893 1.00 0.00 C ATOM 93 O PHE A 7 1.609 -4.574 15.765 1.00 0.00 O ATOM 94 CB PHE A 7 1.300 -1.985 17.466 1.00 0.00 C ATOM 95 CG PHE A 7 2.072 -1.543 16.242 1.00 0.00 C ATOM 96 CD1 PHE A 7 1.413 -1.357 15.019 1.00 0.00 C ATOM 97 CD2 PHE A 7 3.450 -1.312 16.335 1.00 0.00 C ATOM 98 CE1 PHE A 7 2.133 -0.936 13.893 1.00 0.00 C ATOM 99 CE2 PHE A 7 4.168 -0.885 15.209 1.00 0.00 C ATOM 100 CZ PHE A 7 3.509 -0.697 13.989 1.00 0.00 C ATOM 0 H PHE A 7 -0.190 -2.644 19.199 1.00 0.00 H new ATOM 0 HA PHE A 7 -0.324 -2.972 16.429 1.00 0.00 H new ATOM 0 HB2 PHE A 7 0.719 -1.139 17.832 1.00 0.00 H new ATOM 0 HB3 PHE A 7 2.013 -2.245 18.249 1.00 0.00 H new ATOM 0 HD1 PHE A 7 0.351 -1.538 14.945 1.00 0.00 H new ATOM 0 HD2 PHE A 7 3.960 -1.463 17.275 1.00 0.00 H new ATOM 0 HE1 PHE A 7 1.626 -0.796 12.950 1.00 0.00 H new ATOM 0 HE2 PHE A 7 5.230 -0.701 15.283 1.00 0.00 H new ATOM 0 HZ PHE A 7 4.062 -0.368 13.122 1.00 0.00 H new ATOM 110 N GLN A 8 1.268 -5.361 17.849 1.00 0.00 N ATOM 111 CA GLN A 8 1.945 -6.627 17.645 1.00 0.00 C ATOM 112 C GLN A 8 1.355 -7.382 16.456 1.00 0.00 C ATOM 113 O GLN A 8 2.111 -7.969 15.688 1.00 0.00 O ATOM 114 CB GLN A 8 1.808 -7.453 18.927 1.00 0.00 C ATOM 115 CG GLN A 8 2.386 -8.864 18.775 1.00 0.00 C ATOM 116 CD GLN A 8 3.899 -8.885 18.567 1.00 0.00 C ATOM 117 OE1 GLN A 8 4.571 -7.857 18.632 1.00 0.00 O ATOM 118 NE2 GLN A 8 4.450 -10.070 18.315 1.00 0.00 N ATOM 0 H GLN A 8 0.901 -5.242 18.793 1.00 0.00 H new ATOM 0 HA GLN A 8 2.997 -6.448 17.423 1.00 0.00 H new ATOM 0 HB2 GLN A 8 2.317 -6.940 19.743 1.00 0.00 H new ATOM 0 HB3 GLN A 8 0.755 -7.522 19.201 1.00 0.00 H new ATOM 0 HG2 GLN A 8 2.142 -9.446 19.664 1.00 0.00 H new ATOM 0 HG3 GLN A 8 1.904 -9.356 17.930 1.00 0.00 H new ATOM 0 HE21 GLN A 8 3.865 -10.905 18.267 1.00 0.00 H new ATOM 0 HE22 GLN A 8 5.457 -10.144 18.169 1.00 0.00 H new ATOM 127 N ASN A 9 0.029 -7.380 16.282 1.00 0.00 N ATOM 128 CA ASN A 9 -0.557 -8.037 15.123 1.00 0.00 C ATOM 129 C ASN A 9 -0.004 -7.449 13.830 1.00 0.00 C ATOM 130 O ASN A 9 0.374 -8.196 12.933 1.00 0.00 O ATOM 131 CB ASN A 9 -2.079 -7.907 15.127 1.00 0.00 C ATOM 132 CG ASN A 9 -2.696 -8.720 16.253 1.00 0.00 C ATOM 133 OD1 ASN A 9 -2.885 -9.926 16.123 1.00 0.00 O ATOM 134 ND2 ASN A 9 -3.013 -8.065 17.364 1.00 0.00 N ATOM 0 H ASN A 9 -0.639 -6.941 16.915 1.00 0.00 H new ATOM 0 HA ASN A 9 -0.293 -9.093 15.179 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -2.357 -6.859 15.237 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -2.478 -8.244 14.170 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -3.430 -8.565 18.149 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -2.840 -7.062 17.432 1.00 0.00 H new ATOM 141 N PHE A 10 0.051 -6.119 13.720 1.00 0.00 N ATOM 142 CA PHE A 10 0.502 -5.490 12.490 1.00 0.00 C ATOM 143 C PHE A 10 1.963 -5.834 12.209 1.00 0.00 C ATOM 144 O PHE A 10 2.301 -6.265 11.109 1.00 0.00 O ATOM 145 CB PHE A 10 0.301 -3.981 12.589 1.00 0.00 C ATOM 146 CG PHE A 10 0.531 -3.260 11.280 1.00 0.00 C ATOM 147 CD1 PHE A 10 1.831 -2.932 10.870 1.00 0.00 C ATOM 148 CD2 PHE A 10 -0.561 -2.922 10.469 1.00 0.00 C ATOM 149 CE1 PHE A 10 2.037 -2.275 9.650 1.00 0.00 C ATOM 150 CE2 PHE A 10 -0.358 -2.264 9.250 1.00 0.00 C ATOM 151 CZ PHE A 10 0.942 -1.942 8.840 1.00 0.00 C ATOM 0 H PHE A 10 -0.209 -5.469 14.462 1.00 0.00 H new ATOM 0 HA PHE A 10 -0.088 -5.870 11.656 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -0.713 -3.778 12.934 1.00 0.00 H new ATOM 0 HB3 PHE A 10 0.980 -3.580 13.341 1.00 0.00 H new ATOM 0 HD1 PHE A 10 2.674 -3.186 11.495 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.563 -3.170 10.786 1.00 0.00 H new ATOM 0 HE1 PHE A 10 3.039 -2.025 9.333 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -1.202 -2.005 8.627 1.00 0.00 H new ATOM 0 HZ PHE A 10 1.101 -1.437 7.899 1.00 0.00 H new ATOM 161 N VAL A 11 2.836 -5.648 13.204 1.00 0.00 N ATOM 162 CA VAL A 11 4.255 -5.918 13.025 1.00 0.00 C ATOM 163 C VAL A 11 4.472 -7.394 12.722 1.00 0.00 C ATOM 164 O VAL A 11 5.092 -7.735 11.718 1.00 0.00 O ATOM 165 CB VAL A 11 5.041 -5.495 14.271 1.00 0.00 C ATOM 166 CG1 VAL A 11 6.531 -5.781 14.074 1.00 0.00 C ATOM 167 CG2 VAL A 11 4.864 -3.999 14.518 1.00 0.00 C ATOM 0 H VAL A 11 2.582 -5.314 14.133 1.00 0.00 H new ATOM 0 HA VAL A 11 4.621 -5.335 12.180 1.00 0.00 H new ATOM 0 HB VAL A 11 4.664 -6.060 15.123 1.00 0.00 H new ATOM 0 HG11 VAL A 11 7.081 -5.477 14.965 1.00 0.00 H new ATOM 0 HG12 VAL A 11 6.677 -6.848 13.904 1.00 0.00 H new ATOM 0 HG13 VAL A 11 6.898 -5.222 13.213 1.00 0.00 H new ATOM 0 HG21 VAL A 11 5.426 -3.708 15.405 1.00 0.00 H new ATOM 0 HG22 VAL A 11 5.232 -3.442 13.656 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.807 -3.778 14.669 1.00 0.00 H new ATOM 177 N ALA A 12 3.963 -8.274 13.586 1.00 0.00 N ATOM 178 CA ALA A 12 4.127 -9.712 13.450 1.00 0.00 C ATOM 179 C ALA A 12 3.554 -10.227 12.129 1.00 0.00 C ATOM 180 O ALA A 12 4.046 -11.219 11.595 1.00 0.00 O ATOM 181 CB ALA A 12 3.435 -10.388 14.631 1.00 0.00 C ATOM 0 H ALA A 12 3.421 -8.000 14.406 1.00 0.00 H new ATOM 0 HA ALA A 12 5.191 -9.949 13.446 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.546 -11.469 14.548 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.888 -10.047 15.562 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.376 -10.131 14.628 1.00 0.00 H new ATOM 187 N THR A 13 2.520 -9.572 11.589 1.00 0.00 N ATOM 188 CA THR A 13 1.962 -9.978 10.309 1.00 0.00 C ATOM 189 C THR A 13 2.879 -9.552 9.166 1.00 0.00 C ATOM 190 O THR A 13 3.083 -10.314 8.223 1.00 0.00 O ATOM 191 CB THR A 13 0.565 -9.390 10.127 1.00 0.00 C ATOM 192 OG1 THR A 13 -0.297 -9.903 11.115 1.00 0.00 O ATOM 193 CG2 THR A 13 0.004 -9.786 8.765 1.00 0.00 C ATOM 0 H THR A 13 2.062 -8.768 12.018 1.00 0.00 H new ATOM 0 HA THR A 13 1.882 -11.065 10.295 1.00 0.00 H new ATOM 0 HB THR A 13 0.635 -8.305 10.204 1.00 0.00 H new ATOM 0 HG1 THR A 13 -0.297 -9.305 11.891 1.00 0.00 H new ATOM 0 HG21 THR A 13 -0.993 -9.362 8.645 1.00 0.00 H new ATOM 0 HG22 THR A 13 0.657 -9.407 7.979 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.053 -10.872 8.697 1.00 0.00 H new ATOM 201 N LEU A 14 3.435 -8.338 9.239 1.00 0.00 N ATOM 202 CA LEU A 14 4.339 -7.862 8.204 1.00 0.00 C ATOM 203 C LEU A 14 5.611 -8.716 8.213 1.00 0.00 C ATOM 204 O LEU A 14 6.221 -8.963 7.173 1.00 0.00 O ATOM 205 CB LEU A 14 4.628 -6.379 8.453 1.00 0.00 C ATOM 206 CG LEU A 14 5.232 -5.652 7.244 1.00 0.00 C ATOM 207 CD1 LEU A 14 4.298 -5.714 6.032 1.00 0.00 C ATOM 208 CD2 LEU A 14 5.408 -4.186 7.626 1.00 0.00 C ATOM 0 H LEU A 14 3.273 -7.678 9.999 1.00 0.00 H new ATOM 0 HA LEU A 14 3.892 -7.956 7.214 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.701 -5.881 8.738 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.311 -6.289 9.297 1.00 0.00 H new ATOM 0 HG LEU A 14 6.177 -6.128 6.981 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.755 -5.190 5.193 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.125 -6.755 5.759 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.348 -5.241 6.280 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.837 -3.640 6.786 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.439 -3.757 7.881 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.075 -4.111 8.485 1.00 0.00 H new ATOM 220 N GLU A 15 6.007 -9.168 9.409 1.00 0.00 N ATOM 221 CA GLU A 15 7.137 -10.062 9.605 1.00 0.00 C ATOM 222 C GLU A 15 6.826 -11.428 9.003 1.00 0.00 C ATOM 223 O GLU A 15 7.676 -12.028 8.348 1.00 0.00 O ATOM 224 CB GLU A 15 7.394 -10.212 11.105 1.00 0.00 C ATOM 225 CG GLU A 15 7.858 -8.904 11.747 1.00 0.00 C ATOM 226 CD GLU A 15 9.379 -8.767 11.684 1.00 0.00 C ATOM 227 OE1 GLU A 15 9.876 -8.382 10.601 1.00 0.00 O ATOM 228 OE2 GLU A 15 10.033 -9.046 12.714 1.00 0.00 O ATOM 0 H GLU A 15 5.538 -8.914 10.278 1.00 0.00 H new ATOM 0 HA GLU A 15 8.019 -9.650 9.115 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.482 -10.552 11.596 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.149 -10.982 11.267 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.393 -8.060 11.237 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.530 -8.869 12.786 1.00 0.00 H new ATOM 235 N SER A 16 5.601 -11.918 9.227 1.00 0.00 N ATOM 236 CA SER A 16 5.134 -13.153 8.618 1.00 0.00 C ATOM 237 C SER A 16 5.149 -13.017 7.098 1.00 0.00 C ATOM 238 O SER A 16 5.356 -13.997 6.383 1.00 0.00 O ATOM 239 CB SER A 16 3.728 -13.469 9.123 1.00 0.00 C ATOM 240 OG SER A 16 3.259 -14.673 8.549 1.00 0.00 O ATOM 0 H SER A 16 4.915 -11.467 9.833 1.00 0.00 H new ATOM 0 HA SER A 16 5.796 -13.974 8.894 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.735 -13.555 10.210 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.052 -12.651 8.873 1.00 0.00 H new ATOM 0 HG SER A 16 2.358 -14.865 8.882 1.00 0.00 H new ATOM 246 N PHE A 17 4.928 -11.798 6.597 1.00 0.00 N ATOM 247 CA PHE A 17 4.991 -11.525 5.172 1.00 0.00 C ATOM 248 C PHE A 17 6.437 -11.590 4.683 1.00 0.00 C ATOM 249 O PHE A 17 6.701 -12.075 3.584 1.00 0.00 O ATOM 250 CB PHE A 17 4.386 -10.145 4.907 1.00 0.00 C ATOM 251 CG PHE A 17 3.392 -10.132 3.767 1.00 0.00 C ATOM 252 CD1 PHE A 17 3.699 -10.744 2.540 1.00 0.00 C ATOM 253 CD2 PHE A 17 2.154 -9.504 3.946 1.00 0.00 C ATOM 254 CE1 PHE A 17 2.754 -10.738 1.503 1.00 0.00 C ATOM 255 CE2 PHE A 17 1.213 -9.501 2.910 1.00 0.00 C ATOM 256 CZ PHE A 17 1.511 -10.119 1.690 1.00 0.00 C ATOM 0 H PHE A 17 4.703 -10.984 7.169 1.00 0.00 H new ATOM 0 HA PHE A 17 4.422 -12.277 4.625 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.893 -9.793 5.813 1.00 0.00 H new ATOM 0 HB3 PHE A 17 5.189 -9.441 4.687 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.659 -11.217 2.396 1.00 0.00 H new ATOM 0 HD2 PHE A 17 1.925 -9.021 4.884 1.00 0.00 H new ATOM 0 HE1 PHE A 17 2.985 -11.211 0.560 1.00 0.00 H new ATOM 0 HE2 PHE A 17 0.256 -9.021 3.052 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.783 -10.119 0.893 1.00 0.00 H new ATOM 266 N LYS A 18 7.377 -11.102 5.501 1.00 0.00 N ATOM 267 CA LYS A 18 8.796 -11.158 5.183 1.00 0.00 C ATOM 268 C LYS A 18 9.348 -12.577 5.324 1.00 0.00 C ATOM 269 O LYS A 18 10.350 -12.917 4.698 1.00 0.00 O ATOM 270 CB LYS A 18 9.534 -10.176 6.094 1.00 0.00 C ATOM 271 CG LYS A 18 10.993 -10.009 5.667 1.00 0.00 C ATOM 272 CD LYS A 18 11.669 -8.942 6.528 1.00 0.00 C ATOM 273 CE LYS A 18 13.118 -8.730 6.083 1.00 0.00 C ATOM 274 NZ LYS A 18 13.934 -9.942 6.293 1.00 0.00 N ATOM 0 H LYS A 18 7.170 -10.660 6.397 1.00 0.00 H new ATOM 0 HA LYS A 18 8.947 -10.874 4.142 1.00 0.00 H new ATOM 0 HB2 LYS A 18 9.033 -9.208 6.070 1.00 0.00 H new ATOM 0 HB3 LYS A 18 9.493 -10.531 7.124 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.521 -10.957 5.767 1.00 0.00 H new ATOM 0 HG3 LYS A 18 11.043 -9.726 4.616 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.119 -8.004 6.453 1.00 0.00 H new ATOM 0 HD3 LYS A 18 11.645 -9.243 7.575 1.00 0.00 H new ATOM 0 HE2 LYS A 18 13.139 -8.455 5.028 1.00 0.00 H new ATOM 0 HE3 LYS A 18 13.552 -7.898 6.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 14.940 -9.708 6.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.773 -10.307 7.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 13.664 -10.667 5.598 1.00 0.00 H new ATOM 359 N ILE A 24 1.553 -13.755 -2.808 1.00 0.00 N ATOM 360 CA ILE A 24 0.907 -12.746 -1.979 1.00 0.00 C ATOM 361 C ILE A 24 -0.222 -13.443 -1.223 1.00 0.00 C ATOM 362 O ILE A 24 -0.919 -14.279 -1.798 1.00 0.00 O ATOM 363 CB ILE A 24 0.402 -11.585 -2.849 1.00 0.00 C ATOM 364 CG1 ILE A 24 1.467 -11.114 -3.855 1.00 0.00 C ATOM 365 CG2 ILE A 24 -0.024 -10.410 -1.966 1.00 0.00 C ATOM 366 CD1 ILE A 24 2.800 -10.760 -3.188 1.00 0.00 C ATOM 0 HA ILE A 24 1.604 -12.307 -1.265 1.00 0.00 H new ATOM 0 HB ILE A 24 -0.455 -11.952 -3.414 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.633 -11.897 -4.595 1.00 0.00 H new ATOM 0 HG13 ILE A 24 1.092 -10.243 -4.392 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -0.380 -9.593 -2.594 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.824 -10.729 -1.297 1.00 0.00 H new ATOM 0 HG23 ILE A 24 0.828 -10.070 -1.377 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.512 -10.435 -3.947 1.00 0.00 H new ATOM 0 HD12 ILE A 24 2.645 -9.956 -2.468 1.00 0.00 H new ATOM 0 HD13 ILE A 24 3.194 -11.637 -2.674 1.00 0.00 H new ATOM 378 N SER A 25 -0.415 -13.112 0.056 1.00 0.00 N ATOM 379 CA SER A 25 -1.421 -13.782 0.872 1.00 0.00 C ATOM 380 C SER A 25 -2.375 -12.761 1.473 1.00 0.00 C ATOM 381 O SER A 25 -1.943 -11.797 2.103 1.00 0.00 O ATOM 382 CB SER A 25 -0.732 -14.608 1.955 1.00 0.00 C ATOM 383 OG SER A 25 -1.680 -15.424 2.607 1.00 0.00 O ATOM 0 H SER A 25 0.111 -12.387 0.544 1.00 0.00 H new ATOM 0 HA SER A 25 -2.009 -14.456 0.249 1.00 0.00 H new ATOM 0 HB2 SER A 25 0.050 -15.225 1.513 1.00 0.00 H new ATOM 0 HB3 SER A 25 -0.248 -13.949 2.676 1.00 0.00 H new ATOM 0 HG SER A 25 -1.352 -16.347 2.636 1.00 0.00 H new ATOM 389 N GLY A 26 -3.678 -12.981 1.276 1.00 0.00 N ATOM 390 CA GLY A 26 -4.699 -12.042 1.706 1.00 0.00 C ATOM 391 C GLY A 26 -4.802 -11.948 3.225 1.00 0.00 C ATOM 392 O GLY A 26 -5.112 -10.884 3.743 1.00 0.00 O ATOM 0 H GLY A 26 -4.046 -13.813 0.815 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.476 -11.056 1.298 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -5.663 -12.346 1.298 1.00 0.00 H new ATOM 396 N SER A 27 -4.545 -13.041 3.948 1.00 0.00 N ATOM 397 CA SER A 27 -4.708 -13.049 5.394 1.00 0.00 C ATOM 398 C SER A 27 -3.766 -12.045 6.048 1.00 0.00 C ATOM 399 O SER A 27 -4.145 -11.368 7.003 1.00 0.00 O ATOM 400 CB SER A 27 -4.478 -14.462 5.931 1.00 0.00 C ATOM 401 OG SER A 27 -3.177 -14.908 5.618 1.00 0.00 O ATOM 0 H SER A 27 -4.225 -13.925 3.553 1.00 0.00 H new ATOM 0 HA SER A 27 -5.726 -12.748 5.641 1.00 0.00 H new ATOM 0 HB2 SER A 27 -4.622 -14.474 7.011 1.00 0.00 H new ATOM 0 HB3 SER A 27 -5.214 -15.143 5.504 1.00 0.00 H new ATOM 0 HG SER A 27 -3.048 -15.813 5.971 1.00 0.00 H new ATOM 407 N ARG A 28 -2.537 -11.945 5.535 1.00 0.00 N ATOM 408 CA ARG A 28 -1.574 -10.991 6.058 1.00 0.00 C ATOM 409 C ARG A 28 -2.034 -9.577 5.716 1.00 0.00 C ATOM 410 O ARG A 28 -1.993 -8.689 6.565 1.00 0.00 O ATOM 411 CB ARG A 28 -0.183 -11.259 5.473 1.00 0.00 C ATOM 412 CG ARG A 28 0.539 -12.457 6.096 1.00 0.00 C ATOM 413 CD ARG A 28 -0.197 -13.777 5.878 1.00 0.00 C ATOM 414 NE ARG A 28 0.604 -14.904 6.367 1.00 0.00 N ATOM 415 CZ ARG A 28 0.439 -16.172 5.975 1.00 0.00 C ATOM 416 NH1 ARG A 28 -0.491 -16.495 5.080 1.00 0.00 N ATOM 417 NH2 ARG A 28 1.217 -17.124 6.485 1.00 0.00 N ATOM 0 H ARG A 28 -2.193 -12.513 4.761 1.00 0.00 H new ATOM 0 HA ARG A 28 -1.510 -11.098 7.141 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -0.278 -11.424 4.400 1.00 0.00 H new ATOM 0 HB3 ARG A 28 0.432 -10.369 5.605 1.00 0.00 H new ATOM 0 HG2 ARG A 28 1.540 -12.531 5.672 1.00 0.00 H new ATOM 0 HG3 ARG A 28 0.658 -12.286 7.166 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -1.156 -13.754 6.396 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -0.410 -13.909 4.817 1.00 0.00 H new ATOM 0 HE ARG A 28 1.335 -14.708 7.051 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -1.090 -15.771 4.683 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -0.605 -17.466 4.791 1.00 0.00 H new ATOM 0 HH21 ARG A 28 1.934 -16.884 7.170 1.00 0.00 H new ATOM 0 HH22 ARG A 28 1.097 -18.093 6.191 1.00 0.00 H new ATOM 431 N ILE A 29 -2.475 -9.358 4.475 1.00 0.00 N ATOM 432 CA ILE A 29 -2.946 -8.046 4.051 1.00 0.00 C ATOM 433 C ILE A 29 -4.130 -7.624 4.919 1.00 0.00 C ATOM 434 O ILE A 29 -4.218 -6.466 5.321 1.00 0.00 O ATOM 435 CB ILE A 29 -3.318 -8.074 2.563 1.00 0.00 C ATOM 436 CG1 ILE A 29 -2.071 -8.417 1.733 1.00 0.00 C ATOM 437 CG2 ILE A 29 -3.877 -6.713 2.139 1.00 0.00 C ATOM 438 CD1 ILE A 29 -2.368 -8.531 0.238 1.00 0.00 C ATOM 0 H ILE A 29 -2.514 -10.074 3.750 1.00 0.00 H new ATOM 0 HA ILE A 29 -2.151 -7.311 4.178 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.082 -8.833 2.393 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.313 -7.650 1.891 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.651 -9.358 2.088 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -4.139 -6.741 1.081 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -4.766 -6.486 2.727 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.124 -5.942 2.306 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.451 -8.775 -0.298 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -3.105 -9.317 0.072 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -2.761 -7.583 -0.128 1.00 0.00 H new ATOM 450 N LYS A 30 -5.042 -8.559 5.210 1.00 0.00 N ATOM 451 CA LYS A 30 -6.223 -8.281 6.012 1.00 0.00 C ATOM 452 C LYS A 30 -5.857 -7.969 7.460 1.00 0.00 C ATOM 453 O LYS A 30 -6.495 -7.111 8.061 1.00 0.00 O ATOM 454 CB LYS A 30 -7.205 -9.460 5.924 1.00 0.00 C ATOM 455 CG LYS A 30 -7.883 -9.554 4.552 1.00 0.00 C ATOM 456 CD LYS A 30 -8.716 -8.324 4.187 1.00 0.00 C ATOM 457 CE LYS A 30 -9.741 -8.086 5.281 1.00 0.00 C ATOM 458 NZ LYS A 30 -10.637 -6.965 4.947 1.00 0.00 N ATOM 0 H LYS A 30 -4.976 -9.526 4.893 1.00 0.00 H new ATOM 0 HA LYS A 30 -6.710 -7.392 5.611 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.672 -10.389 6.128 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -7.967 -9.353 6.696 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.119 -9.702 3.789 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.526 -10.434 4.535 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -8.072 -7.451 4.076 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -9.214 -8.476 3.229 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -10.330 -8.991 5.433 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -9.230 -7.877 6.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -11.325 -6.830 5.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -10.077 -6.097 4.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -11.143 -7.176 4.063 1.00 0.00 H new ATOM 472 N LYS A 31 -4.850 -8.630 8.043 1.00 0.00 N ATOM 473 CA LYS A 31 -4.425 -8.284 9.396 1.00 0.00 C ATOM 474 C LYS A 31 -3.814 -6.886 9.423 1.00 0.00 C ATOM 475 O LYS A 31 -4.075 -6.119 10.347 1.00 0.00 O ATOM 476 CB LYS A 31 -3.433 -9.314 9.936 1.00 0.00 C ATOM 477 CG LYS A 31 -3.915 -9.917 11.258 1.00 0.00 C ATOM 478 CD LYS A 31 -5.190 -10.754 11.105 1.00 0.00 C ATOM 479 CE LYS A 31 -4.959 -11.935 10.164 1.00 0.00 C ATOM 480 NZ LYS A 31 -6.169 -12.772 10.060 1.00 0.00 N ATOM 0 H LYS A 31 -4.327 -9.390 7.608 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.304 -8.290 10.040 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.295 -10.108 9.202 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.461 -8.843 10.083 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.125 -10.541 11.676 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.098 -9.114 11.972 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.509 -11.119 12.081 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -5.996 -10.129 10.719 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.680 -11.568 9.176 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.126 -12.537 10.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.987 -13.567 9.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.419 -13.139 11.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.956 -12.201 9.691 1.00 0.00 H new ATOM 494 N LEU A 32 -3.004 -6.546 8.419 1.00 0.00 N ATOM 495 CA LEU A 32 -2.373 -5.238 8.348 1.00 0.00 C ATOM 496 C LEU A 32 -3.430 -4.136 8.245 1.00 0.00 C ATOM 497 O LEU A 32 -3.409 -3.183 9.023 1.00 0.00 O ATOM 498 CB LEU A 32 -1.397 -5.206 7.168 1.00 0.00 C ATOM 499 CG LEU A 32 -0.203 -6.144 7.388 1.00 0.00 C ATOM 500 CD1 LEU A 32 0.626 -6.226 6.110 1.00 0.00 C ATOM 501 CD2 LEU A 32 0.697 -5.647 8.513 1.00 0.00 C ATOM 0 H LEU A 32 -2.772 -7.166 7.643 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.808 -5.054 9.262 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.921 -5.492 6.256 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.037 -4.188 7.022 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.597 -7.124 7.657 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.474 -6.893 6.268 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.008 -6.611 5.299 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.990 -5.232 5.848 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.532 -6.335 8.642 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.078 -4.657 8.264 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.125 -5.593 9.439 1.00 0.00 H new ATOM 513 N THR A 33 -4.360 -4.254 7.291 1.00 0.00 N ATOM 514 CA THR A 33 -5.407 -3.258 7.130 1.00 0.00 C ATOM 515 C THR A 33 -6.259 -3.164 8.386 1.00 0.00 C ATOM 516 O THR A 33 -6.611 -2.069 8.814 1.00 0.00 O ATOM 517 CB THR A 33 -6.301 -3.601 5.939 1.00 0.00 C ATOM 518 OG1 THR A 33 -6.821 -4.903 6.063 1.00 0.00 O ATOM 519 CG2 THR A 33 -5.516 -3.502 4.632 1.00 0.00 C ATOM 0 H THR A 33 -4.403 -5.026 6.626 1.00 0.00 H new ATOM 0 HA THR A 33 -4.925 -2.297 6.952 1.00 0.00 H new ATOM 0 HB THR A 33 -7.123 -2.885 5.925 1.00 0.00 H new ATOM 0 HG1 THR A 33 -7.391 -5.102 5.291 1.00 0.00 H new ATOM 0 HG21 THR A 33 -6.169 -3.750 3.795 1.00 0.00 H new ATOM 0 HG22 THR A 33 -5.139 -2.486 4.510 1.00 0.00 H new ATOM 0 HG23 THR A 33 -4.678 -4.199 4.657 1.00 0.00 H new ATOM 527 N THR A 34 -6.591 -4.314 8.976 1.00 0.00 N ATOM 528 CA THR A 34 -7.390 -4.379 10.184 1.00 0.00 C ATOM 529 C THR A 34 -6.768 -3.548 11.298 1.00 0.00 C ATOM 530 O THR A 34 -7.418 -2.647 11.821 1.00 0.00 O ATOM 531 CB THR A 34 -7.531 -5.842 10.600 1.00 0.00 C ATOM 532 OG1 THR A 34 -8.445 -6.493 9.747 1.00 0.00 O ATOM 533 CG2 THR A 34 -8.032 -5.976 12.027 1.00 0.00 C ATOM 0 H THR A 34 -6.308 -5.227 8.621 1.00 0.00 H new ATOM 0 HA THR A 34 -8.378 -3.961 9.990 1.00 0.00 H new ATOM 0 HB THR A 34 -6.543 -6.297 10.530 1.00 0.00 H new ATOM 0 HG1 THR A 34 -7.980 -6.796 8.939 1.00 0.00 H new ATOM 0 HG21 THR A 34 -8.119 -7.032 12.285 1.00 0.00 H new ATOM 0 HG22 THR A 34 -7.329 -5.493 12.706 1.00 0.00 H new ATOM 0 HG23 THR A 34 -9.008 -5.499 12.116 1.00 0.00 H new ATOM 541 N TYR A 35 -5.516 -3.830 11.677 1.00 0.00 N ATOM 542 CA TYR A 35 -4.928 -3.152 12.822 1.00 0.00 C ATOM 543 C TYR A 35 -4.501 -1.718 12.513 1.00 0.00 C ATOM 544 O TYR A 35 -4.323 -0.933 13.441 1.00 0.00 O ATOM 545 CB TYR A 35 -3.827 -4.015 13.432 1.00 0.00 C ATOM 546 CG TYR A 35 -4.423 -5.159 14.226 1.00 0.00 C ATOM 547 CD1 TYR A 35 -4.765 -4.965 15.572 1.00 0.00 C ATOM 548 CD2 TYR A 35 -4.640 -6.406 13.623 1.00 0.00 C ATOM 549 CE1 TYR A 35 -5.343 -6.007 16.310 1.00 0.00 C ATOM 550 CE2 TYR A 35 -5.224 -7.451 14.352 1.00 0.00 C ATOM 551 CZ TYR A 35 -5.584 -7.255 15.701 1.00 0.00 C ATOM 552 OH TYR A 35 -6.162 -8.263 16.414 1.00 0.00 O ATOM 0 H TYR A 35 -4.908 -4.507 11.216 1.00 0.00 H new ATOM 0 HA TYR A 35 -5.699 -3.032 13.583 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -3.187 -4.408 12.642 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -3.197 -3.405 14.080 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -4.582 -4.010 16.041 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -4.356 -6.562 12.593 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -5.604 -5.853 17.347 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -5.398 -8.407 13.880 1.00 0.00 H new ATOM 0 HH TYR A 35 -6.257 -9.054 15.844 1.00 0.00 H new ATOM 562 N ALA A 36 -4.337 -1.354 11.236 1.00 0.00 N ATOM 563 CA ALA A 36 -4.183 0.048 10.877 1.00 0.00 C ATOM 564 C ALA A 36 -5.511 0.772 11.102 1.00 0.00 C ATOM 565 O ALA A 36 -5.575 1.738 11.857 1.00 0.00 O ATOM 566 CB ALA A 36 -3.733 0.150 9.420 1.00 0.00 C ATOM 0 H ALA A 36 -4.309 -2.004 10.450 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.424 0.520 11.501 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.617 1.199 9.148 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.780 -0.365 9.297 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.481 -0.311 8.775 1.00 0.00 H new ATOM 572 N LEU A 37 -6.566 0.294 10.439 1.00 0.00 N ATOM 573 CA LEU A 37 -7.885 0.917 10.453 1.00 0.00 C ATOM 574 C LEU A 37 -8.596 0.780 11.803 1.00 0.00 C ATOM 575 O LEU A 37 -9.574 1.483 12.049 1.00 0.00 O ATOM 576 CB LEU A 37 -8.721 0.284 9.332 1.00 0.00 C ATOM 577 CG LEU A 37 -8.067 0.478 7.959 1.00 0.00 C ATOM 578 CD1 LEU A 37 -8.758 -0.414 6.934 1.00 0.00 C ATOM 579 CD2 LEU A 37 -8.174 1.932 7.501 1.00 0.00 C ATOM 0 H LEU A 37 -6.524 -0.551 9.869 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.764 1.988 10.290 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -8.846 -0.781 9.528 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -9.717 0.727 9.327 1.00 0.00 H new ATOM 0 HG LEU A 37 -7.013 0.212 8.044 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -8.292 -0.275 5.958 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -8.663 -1.457 7.236 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -9.813 -0.148 6.873 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -7.702 2.042 6.525 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -9.224 2.215 7.430 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.672 2.578 8.221 1.00 0.00 H new ATOM 591 N ASP A 38 -8.120 -0.113 12.675 1.00 0.00 N ATOM 592 CA ASP A 38 -8.731 -0.356 13.977 1.00 0.00 C ATOM 593 C ASP A 38 -8.864 0.909 14.831 1.00 0.00 C ATOM 594 O ASP A 38 -9.804 1.008 15.616 1.00 0.00 O ATOM 595 CB ASP A 38 -7.900 -1.398 14.730 1.00 0.00 C ATOM 596 CG ASP A 38 -8.508 -1.714 16.093 1.00 0.00 C ATOM 597 OD1 ASP A 38 -9.583 -2.352 16.109 1.00 0.00 O ATOM 598 OD2 ASP A 38 -7.895 -1.318 17.108 1.00 0.00 O ATOM 0 H ASP A 38 -7.297 -0.688 12.494 1.00 0.00 H new ATOM 0 HA ASP A 38 -9.744 -0.717 13.796 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -7.835 -2.311 14.138 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.882 -1.030 14.860 1.00 0.00 H new ATOM 603 N HIS A 39 -7.948 1.878 14.699 1.00 0.00 N ATOM 604 CA HIS A 39 -8.016 3.073 15.533 1.00 0.00 C ATOM 605 C HIS A 39 -7.398 4.319 14.903 1.00 0.00 C ATOM 606 O HIS A 39 -7.730 5.427 15.321 1.00 0.00 O ATOM 607 CB HIS A 39 -7.333 2.767 16.871 1.00 0.00 C ATOM 608 CG HIS A 39 -7.513 3.846 17.908 1.00 0.00 C ATOM 609 ND1 HIS A 39 -6.497 4.377 18.701 1.00 0.00 N ATOM 610 CD2 HIS A 39 -8.696 4.452 18.224 1.00 0.00 C ATOM 611 CE1 HIS A 39 -7.096 5.297 19.477 1.00 0.00 C ATOM 612 NE2 HIS A 39 -8.412 5.363 19.213 1.00 0.00 N ATOM 0 H HIS A 39 -7.171 1.856 14.038 1.00 0.00 H new ATOM 0 HA HIS A 39 -9.071 3.312 15.664 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -7.728 1.830 17.263 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -6.267 2.617 16.698 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -9.662 4.254 17.784 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -6.588 5.902 20.214 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -9.083 5.982 19.668 1.00 0.00 H new ATOM 620 N ILE A 40 -6.514 4.157 13.915 1.00 0.00 N ATOM 621 CA ILE A 40 -5.829 5.267 13.266 1.00 0.00 C ATOM 622 C ILE A 40 -5.269 6.258 14.291 1.00 0.00 C ATOM 623 O ILE A 40 -5.787 7.358 14.480 1.00 0.00 O ATOM 624 CB ILE A 40 -6.725 5.915 12.204 1.00 0.00 C ATOM 625 CG1 ILE A 40 -7.193 4.869 11.181 1.00 0.00 C ATOM 626 CG2 ILE A 40 -5.961 7.021 11.474 1.00 0.00 C ATOM 627 CD1 ILE A 40 -6.038 4.304 10.349 1.00 0.00 C ATOM 0 H ILE A 40 -6.255 3.243 13.544 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.960 4.879 12.734 1.00 0.00 H new ATOM 0 HB ILE A 40 -7.594 6.339 12.707 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -7.693 4.053 11.703 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -7.929 5.320 10.516 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -6.607 7.474 10.722 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -5.649 7.781 12.190 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -5.082 6.597 10.989 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.424 3.570 9.642 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -5.553 5.113 9.803 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -5.314 3.827 11.009 1.00 0.00 H new ATOM 639 N ASP A 41 -4.189 5.838 14.952 1.00 0.00 N ATOM 640 CA ASP A 41 -3.466 6.613 15.953 1.00 0.00 C ATOM 641 C ASP A 41 -1.972 6.308 15.823 1.00 0.00 C ATOM 642 O ASP A 41 -1.198 6.483 16.762 1.00 0.00 O ATOM 643 CB ASP A 41 -4.003 6.251 17.339 1.00 0.00 C ATOM 644 CG ASP A 41 -3.428 7.149 18.435 1.00 0.00 C ATOM 645 OD1 ASP A 41 -3.433 8.383 18.234 1.00 0.00 O ATOM 646 OD2 ASP A 41 -2.986 6.591 19.463 1.00 0.00 O ATOM 0 H ASP A 41 -3.782 4.916 14.797 1.00 0.00 H new ATOM 0 HA ASP A 41 -3.609 7.683 15.804 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -5.090 6.333 17.338 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.762 5.211 17.560 1.00 0.00 H new ATOM 651 N ILE A 42 -1.580 5.843 14.633 1.00 0.00 N ATOM 652 CA ILE A 42 -0.262 5.299 14.351 1.00 0.00 C ATOM 653 C ILE A 42 0.131 5.618 12.912 1.00 0.00 C ATOM 654 O ILE A 42 0.814 4.841 12.253 1.00 0.00 O ATOM 655 CB ILE A 42 -0.221 3.788 14.632 1.00 0.00 C ATOM 656 CG1 ILE A 42 -1.568 3.122 14.322 1.00 0.00 C ATOM 657 CG2 ILE A 42 0.221 3.531 16.075 1.00 0.00 C ATOM 658 CD1 ILE A 42 -1.467 1.610 14.480 1.00 0.00 C ATOM 0 H ILE A 42 -2.195 5.838 13.819 1.00 0.00 H new ATOM 0 HA ILE A 42 0.466 5.766 15.014 1.00 0.00 H new ATOM 0 HB ILE A 42 0.513 3.334 13.967 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.335 3.513 14.990 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.876 3.367 13.306 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.246 2.457 16.262 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.215 3.950 16.231 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.483 4.002 16.761 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.432 1.155 14.256 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -0.715 1.222 13.793 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.182 1.369 15.504 1.00 0.00 H new ATOM 670 N GLU A 43 -0.308 6.774 12.420 1.00 0.00 N ATOM 671 CA GLU A 43 -0.089 7.192 11.046 1.00 0.00 C ATOM 672 C GLU A 43 1.372 7.084 10.600 1.00 0.00 C ATOM 673 O GLU A 43 1.662 6.445 9.591 1.00 0.00 O ATOM 674 CB GLU A 43 -0.626 8.623 10.882 1.00 0.00 C ATOM 675 CG GLU A 43 0.096 9.688 11.722 1.00 0.00 C ATOM 676 CD GLU A 43 0.149 9.336 13.212 1.00 0.00 C ATOM 677 OE1 GLU A 43 -0.937 9.250 13.822 1.00 0.00 O ATOM 678 OE2 GLU A 43 1.276 9.155 13.724 1.00 0.00 O ATOM 0 H GLU A 43 -0.831 7.452 12.974 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.631 6.509 10.392 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -0.557 8.903 9.831 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -1.684 8.630 11.145 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.112 9.812 11.347 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.409 10.646 11.598 1.00 0.00 H new ATOM 685 N SER A 44 2.296 7.701 11.337 1.00 0.00 N ATOM 686 CA SER A 44 3.699 7.762 10.944 1.00 0.00 C ATOM 687 C SER A 44 4.410 6.429 11.142 1.00 0.00 C ATOM 688 O SER A 44 5.311 6.092 10.383 1.00 0.00 O ATOM 689 CB SER A 44 4.384 8.874 11.741 1.00 0.00 C ATOM 690 OG SER A 44 5.724 9.027 11.320 1.00 0.00 O ATOM 0 H SER A 44 2.092 8.170 12.219 1.00 0.00 H new ATOM 0 HA SER A 44 3.754 7.982 9.878 1.00 0.00 H new ATOM 0 HB2 SER A 44 3.845 9.812 11.607 1.00 0.00 H new ATOM 0 HB3 SER A 44 4.355 8.639 12.805 1.00 0.00 H new ATOM 0 HG SER A 44 6.150 9.743 11.837 1.00 0.00 H new ATOM 696 N LYS A 45 4.007 5.665 12.159 1.00 0.00 N ATOM 697 CA LYS A 45 4.631 4.388 12.462 1.00 0.00 C ATOM 698 C LYS A 45 4.148 3.332 11.471 1.00 0.00 C ATOM 699 O LYS A 45 4.959 2.573 10.947 1.00 0.00 O ATOM 700 CB LYS A 45 4.427 4.011 13.939 1.00 0.00 C ATOM 701 CG LYS A 45 3.174 4.558 14.621 1.00 0.00 C ATOM 702 CD LYS A 45 3.144 6.087 14.766 1.00 0.00 C ATOM 703 CE LYS A 45 2.596 6.498 16.128 1.00 0.00 C ATOM 704 NZ LYS A 45 2.418 7.961 16.205 1.00 0.00 N ATOM 0 H LYS A 45 3.244 5.917 12.788 1.00 0.00 H new ATOM 0 HA LYS A 45 5.711 4.460 12.336 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.407 2.924 14.013 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.297 4.353 14.500 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.299 4.242 14.053 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.090 4.110 15.611 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.150 6.487 14.639 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.528 6.518 13.977 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.642 6.002 16.305 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.277 6.169 16.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 1.764 8.191 16.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.337 8.414 16.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.027 8.311 15.307 1.00 0.00 H new ATOM 718 N ILE A 46 2.837 3.280 11.209 1.00 0.00 N ATOM 719 CA ILE A 46 2.287 2.413 10.177 1.00 0.00 C ATOM 720 C ILE A 46 2.942 2.714 8.831 1.00 0.00 C ATOM 721 O ILE A 46 3.429 1.806 8.159 1.00 0.00 O ATOM 722 CB ILE A 46 0.762 2.611 10.097 1.00 0.00 C ATOM 723 CG1 ILE A 46 0.070 1.938 11.289 1.00 0.00 C ATOM 724 CG2 ILE A 46 0.176 2.068 8.790 1.00 0.00 C ATOM 725 CD1 ILE A 46 0.014 0.414 11.165 1.00 0.00 C ATOM 0 H ILE A 46 2.139 3.834 11.704 1.00 0.00 H new ATOM 0 HA ILE A 46 2.494 1.373 10.430 1.00 0.00 H new ATOM 0 HB ILE A 46 0.579 3.685 10.125 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.597 2.203 12.205 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.944 2.327 11.381 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.902 2.230 8.779 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.629 2.586 7.945 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.383 1.001 8.714 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -0.487 -0.004 12.038 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.538 0.142 10.265 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.027 0.017 11.103 1.00 0.00 H new ATOM 737 N ILE A 47 2.958 3.989 8.425 1.00 0.00 N ATOM 738 CA ILE A 47 3.483 4.356 7.120 1.00 0.00 C ATOM 739 C ILE A 47 4.982 4.117 7.020 1.00 0.00 C ATOM 740 O ILE A 47 5.430 3.479 6.072 1.00 0.00 O ATOM 741 CB ILE A 47 3.092 5.795 6.772 1.00 0.00 C ATOM 742 CG1 ILE A 47 1.593 5.898 6.482 1.00 0.00 C ATOM 743 CG2 ILE A 47 3.867 6.280 5.545 1.00 0.00 C ATOM 744 CD1 ILE A 47 1.084 4.888 5.453 1.00 0.00 C ATOM 0 H ILE A 47 2.615 4.772 8.981 1.00 0.00 H new ATOM 0 HA ILE A 47 3.029 3.703 6.375 1.00 0.00 H new ATOM 0 HB ILE A 47 3.337 6.420 7.631 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.044 5.760 7.413 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.371 6.905 6.127 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.576 7.304 5.312 1.00 0.00 H new ATOM 0 HG22 ILE A 47 4.936 6.245 5.753 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.641 5.637 4.694 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.013 5.028 5.305 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.604 5.039 4.507 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.271 3.876 5.813 1.00 0.00 H new ATOM 756 N SER A 48 5.778 4.609 7.971 1.00 0.00 N ATOM 757 CA SER A 48 7.214 4.376 7.900 1.00 0.00 C ATOM 758 C SER A 48 7.520 2.881 7.898 1.00 0.00 C ATOM 759 O SER A 48 8.484 2.459 7.260 1.00 0.00 O ATOM 760 CB SER A 48 7.920 5.059 9.066 1.00 0.00 C ATOM 761 OG SER A 48 7.834 6.462 8.920 1.00 0.00 O ATOM 0 H SER A 48 5.463 5.154 8.774 1.00 0.00 H new ATOM 0 HA SER A 48 7.584 4.803 6.968 1.00 0.00 H new ATOM 0 HB2 SER A 48 7.465 4.753 10.008 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.965 4.751 9.102 1.00 0.00 H new ATOM 0 HG SER A 48 7.007 6.784 9.336 1.00 0.00 H new ATOM 767 N LEU A 49 6.717 2.074 8.599 1.00 0.00 N ATOM 768 CA LEU A 49 6.947 0.642 8.651 1.00 0.00 C ATOM 769 C LEU A 49 6.655 -0.047 7.316 1.00 0.00 C ATOM 770 O LEU A 49 7.438 -0.900 6.901 1.00 0.00 O ATOM 771 CB LEU A 49 6.130 0.043 9.802 1.00 0.00 C ATOM 772 CG LEU A 49 6.339 -1.467 9.945 1.00 0.00 C ATOM 773 CD1 LEU A 49 7.807 -1.821 10.173 1.00 0.00 C ATOM 774 CD2 LEU A 49 5.535 -1.976 11.139 1.00 0.00 C ATOM 0 H LEU A 49 5.909 2.394 9.133 1.00 0.00 H new ATOM 0 HA LEU A 49 8.006 0.467 8.840 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.407 0.535 10.734 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.072 0.246 9.637 1.00 0.00 H new ATOM 0 HG LEU A 49 6.009 -1.933 9.017 1.00 0.00 H new ATOM 0 HD11 LEU A 49 7.910 -2.902 10.269 1.00 0.00 H new ATOM 0 HD12 LEU A 49 8.401 -1.474 9.327 1.00 0.00 H new ATOM 0 HD13 LEU A 49 8.160 -1.340 11.086 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.681 -3.051 11.244 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.872 -1.473 12.046 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.477 -1.767 10.981 1.00 0.00 H new ATOM 786 N ILE A 50 5.556 0.292 6.626 1.00 0.00 N ATOM 787 CA ILE A 50 5.261 -0.367 5.353 1.00 0.00 C ATOM 788 C ILE A 50 6.192 0.118 4.243 1.00 0.00 C ATOM 789 O ILE A 50 6.568 -0.662 3.367 1.00 0.00 O ATOM 790 CB ILE A 50 3.791 -0.193 4.958 1.00 0.00 C ATOM 791 CG1 ILE A 50 3.446 1.284 4.738 1.00 0.00 C ATOM 792 CG2 ILE A 50 2.899 -0.827 6.028 1.00 0.00 C ATOM 793 CD1 ILE A 50 1.991 1.471 4.316 1.00 0.00 C ATOM 0 H ILE A 50 4.878 0.996 6.918 1.00 0.00 H new ATOM 0 HA ILE A 50 5.441 -1.433 5.492 1.00 0.00 H new ATOM 0 HB ILE A 50 3.614 -0.701 4.010 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.632 1.841 5.656 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.102 1.700 3.974 1.00 0.00 H new ATOM 0 HG21 ILE A 50 1.853 -0.704 5.749 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.130 -1.889 6.112 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.078 -0.340 6.987 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.788 2.532 4.170 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.811 0.936 3.384 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.334 1.079 5.092 1.00 0.00 H new ATOM 805 N ILE A 51 6.571 1.399 4.265 1.00 0.00 N ATOM 806 CA ILE A 51 7.486 1.934 3.269 1.00 0.00 C ATOM 807 C ILE A 51 8.833 1.242 3.415 1.00 0.00 C ATOM 808 O ILE A 51 9.379 0.714 2.449 1.00 0.00 O ATOM 809 CB ILE A 51 7.665 3.438 3.465 1.00 0.00 C ATOM 810 CG1 ILE A 51 6.357 4.176 3.156 1.00 0.00 C ATOM 811 CG2 ILE A 51 8.778 3.959 2.551 1.00 0.00 C ATOM 812 CD1 ILE A 51 6.454 5.622 3.636 1.00 0.00 C ATOM 0 H ILE A 51 6.257 2.077 4.960 1.00 0.00 H new ATOM 0 HA ILE A 51 7.077 1.757 2.274 1.00 0.00 H new ATOM 0 HB ILE A 51 7.938 3.621 4.504 1.00 0.00 H new ATOM 0 HG12 ILE A 51 6.159 4.151 2.084 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.522 3.676 3.646 1.00 0.00 H new ATOM 0 HG21 ILE A 51 8.897 5.032 2.699 1.00 0.00 H new ATOM 0 HG22 ILE A 51 9.713 3.453 2.792 1.00 0.00 H new ATOM 0 HG23 ILE A 51 8.517 3.763 1.511 1.00 0.00 H new ATOM 0 HD11 ILE A 51 5.522 6.142 3.414 1.00 0.00 H new ATOM 0 HD12 ILE A 51 6.631 5.637 4.711 1.00 0.00 H new ATOM 0 HD13 ILE A 51 7.278 6.120 3.126 1.00 0.00 H new ATOM 824 N ASP A 52 9.362 1.251 4.639 1.00 0.00 N ATOM 825 CA ASP A 52 10.641 0.623 4.929 1.00 0.00 C ATOM 826 C ASP A 52 10.578 -0.883 4.695 1.00 0.00 C ATOM 827 O ASP A 52 11.573 -1.498 4.314 1.00 0.00 O ATOM 828 CB ASP A 52 11.027 0.935 6.366 1.00 0.00 C ATOM 829 CG ASP A 52 12.433 0.444 6.690 1.00 0.00 C ATOM 830 OD1 ASP A 52 13.376 0.923 6.024 1.00 0.00 O ATOM 831 OD2 ASP A 52 12.556 -0.406 7.599 1.00 0.00 O ATOM 0 H ASP A 52 8.918 1.690 5.446 1.00 0.00 H new ATOM 0 HA ASP A 52 11.400 1.021 4.255 1.00 0.00 H new ATOM 0 HB2 ASP A 52 10.969 2.011 6.533 1.00 0.00 H new ATOM 0 HB3 ASP A 52 10.313 0.468 7.044 1.00 0.00 H new ATOM 836 N TYR A 53 9.411 -1.490 4.916 1.00 0.00 N ATOM 837 CA TYR A 53 9.233 -2.899 4.616 1.00 0.00 C ATOM 838 C TYR A 53 9.478 -3.133 3.127 1.00 0.00 C ATOM 839 O TYR A 53 10.180 -4.069 2.752 1.00 0.00 O ATOM 840 CB TYR A 53 7.829 -3.342 5.013 1.00 0.00 C ATOM 841 CG TYR A 53 7.399 -4.641 4.368 1.00 0.00 C ATOM 842 CD1 TYR A 53 7.934 -5.860 4.810 1.00 0.00 C ATOM 843 CD2 TYR A 53 6.459 -4.620 3.326 1.00 0.00 C ATOM 844 CE1 TYR A 53 7.536 -7.061 4.204 1.00 0.00 C ATOM 845 CE2 TYR A 53 6.054 -5.817 2.721 1.00 0.00 C ATOM 846 CZ TYR A 53 6.591 -7.043 3.158 1.00 0.00 C ATOM 847 OH TYR A 53 6.199 -8.205 2.567 1.00 0.00 O ATOM 0 H TYR A 53 8.586 -1.028 5.298 1.00 0.00 H new ATOM 0 HA TYR A 53 9.949 -3.491 5.186 1.00 0.00 H new ATOM 0 HB2 TYR A 53 7.784 -3.452 6.097 1.00 0.00 H new ATOM 0 HB3 TYR A 53 7.120 -2.560 4.743 1.00 0.00 H new ATOM 0 HD1 TYR A 53 8.652 -5.874 5.617 1.00 0.00 H new ATOM 0 HD2 TYR A 53 6.047 -3.680 2.990 1.00 0.00 H new ATOM 0 HE1 TYR A 53 7.953 -7.999 4.539 1.00 0.00 H new ATOM 0 HE2 TYR A 53 5.330 -5.799 1.920 1.00 0.00 H new ATOM 0 HH TYR A 53 5.542 -8.010 1.866 1.00 0.00 H new ATOM 857 N SER A 54 8.898 -2.284 2.275 1.00 0.00 N ATOM 858 CA SER A 54 9.112 -2.375 0.837 1.00 0.00 C ATOM 859 C SER A 54 10.574 -2.096 0.493 1.00 0.00 C ATOM 860 O SER A 54 11.137 -2.713 -0.408 1.00 0.00 O ATOM 861 CB SER A 54 8.217 -1.351 0.140 1.00 0.00 C ATOM 862 OG SER A 54 8.282 -1.535 -1.257 1.00 0.00 O ATOM 0 H SER A 54 8.277 -1.527 2.561 1.00 0.00 H new ATOM 0 HA SER A 54 8.865 -3.382 0.500 1.00 0.00 H new ATOM 0 HB2 SER A 54 7.188 -1.460 0.483 1.00 0.00 H new ATOM 0 HB3 SER A 54 8.534 -0.341 0.399 1.00 0.00 H new ATOM 0 HG SER A 54 7.527 -2.087 -1.550 1.00 0.00 H new ATOM 868 N ARG A 55 11.189 -1.156 1.217 1.00 0.00 N ATOM 869 CA ARG A 55 12.557 -0.709 0.987 1.00 0.00 C ATOM 870 C ARG A 55 13.593 -1.790 1.291 1.00 0.00 C ATOM 871 O ARG A 55 14.615 -1.863 0.612 1.00 0.00 O ATOM 872 CB ARG A 55 12.776 0.520 1.873 1.00 0.00 C ATOM 873 CG ARG A 55 14.210 1.039 1.871 1.00 0.00 C ATOM 874 CD ARG A 55 14.689 1.351 0.453 1.00 0.00 C ATOM 875 NE ARG A 55 16.073 1.839 0.453 1.00 0.00 N ATOM 876 CZ ARG A 55 17.150 1.050 0.442 1.00 0.00 C ATOM 877 NH1 ARG A 55 17.029 -0.274 0.429 1.00 0.00 N ATOM 878 NH2 ARG A 55 18.365 1.595 0.444 1.00 0.00 N ATOM 0 H ARG A 55 10.736 -0.677 1.995 1.00 0.00 H new ATOM 0 HA ARG A 55 12.690 -0.471 -0.068 1.00 0.00 H new ATOM 0 HB2 ARG A 55 12.111 1.318 1.541 1.00 0.00 H new ATOM 0 HB3 ARG A 55 12.491 0.273 2.896 1.00 0.00 H new ATOM 0 HG2 ARG A 55 14.274 1.938 2.484 1.00 0.00 H new ATOM 0 HG3 ARG A 55 14.868 0.297 2.324 1.00 0.00 H new ATOM 0 HD2 ARG A 55 14.617 0.455 -0.163 1.00 0.00 H new ATOM 0 HD3 ARG A 55 14.037 2.100 0.003 1.00 0.00 H new ATOM 0 HE ARG A 55 16.222 2.848 0.462 1.00 0.00 H new ATOM 0 HH11 ARG A 55 16.103 -0.701 0.427 1.00 0.00 H new ATOM 0 HH12 ARG A 55 17.862 -0.862 0.421 1.00 0.00 H new ATOM 0 HH21 ARG A 55 18.469 2.610 0.454 1.00 0.00 H new ATOM 0 HH22 ARG A 55 19.192 0.998 0.436 1.00 0.00 H new ATOM 892 N LEU A 56 13.343 -2.629 2.299 1.00 0.00 N ATOM 893 CA LEU A 56 14.299 -3.645 2.718 1.00 0.00 C ATOM 894 C LEU A 56 14.104 -4.999 2.043 1.00 0.00 C ATOM 895 O LEU A 56 14.999 -5.844 2.106 1.00 0.00 O ATOM 896 CB LEU A 56 14.197 -3.811 4.235 1.00 0.00 C ATOM 897 CG LEU A 56 14.709 -2.590 5.005 1.00 0.00 C ATOM 898 CD1 LEU A 56 14.563 -2.856 6.502 1.00 0.00 C ATOM 899 CD2 LEU A 56 16.184 -2.315 4.715 1.00 0.00 C ATOM 0 H LEU A 56 12.479 -2.620 2.841 1.00 0.00 H new ATOM 0 HA LEU A 56 15.287 -3.298 2.414 1.00 0.00 H new ATOM 0 HB2 LEU A 56 13.157 -3.995 4.506 1.00 0.00 H new ATOM 0 HB3 LEU A 56 14.766 -4.690 4.538 1.00 0.00 H new ATOM 0 HG LEU A 56 14.124 -1.725 4.691 1.00 0.00 H new ATOM 0 HD11 LEU A 56 14.924 -1.993 7.062 1.00 0.00 H new ATOM 0 HD12 LEU A 56 13.514 -3.029 6.740 1.00 0.00 H new ATOM 0 HD13 LEU A 56 15.147 -3.735 6.774 1.00 0.00 H new ATOM 0 HD21 LEU A 56 16.509 -1.441 5.280 1.00 0.00 H new ATOM 0 HD22 LEU A 56 16.780 -3.179 5.008 1.00 0.00 H new ATOM 0 HD23 LEU A 56 16.317 -2.128 3.649 1.00 0.00 H new ATOM 911 N CYS A 57 12.957 -5.221 1.401 1.00 0.00 N ATOM 912 CA CYS A 57 12.601 -6.543 0.900 1.00 0.00 C ATOM 913 C CYS A 57 12.611 -6.645 -0.632 1.00 0.00 C ATOM 914 O CYS A 57 12.366 -5.656 -1.326 1.00 0.00 O ATOM 915 CB CYS A 57 11.257 -6.947 1.505 1.00 0.00 C ATOM 916 SG CYS A 57 11.375 -6.927 3.313 1.00 0.00 S ATOM 0 H CYS A 57 12.260 -4.500 1.217 1.00 0.00 H new ATOM 0 HA CYS A 57 13.370 -7.248 1.216 1.00 0.00 H new ATOM 0 HB2 CYS A 57 10.477 -6.262 1.174 1.00 0.00 H new ATOM 0 HB3 CYS A 57 10.975 -7.942 1.160 1.00 0.00 H new ATOM 0 HG CYS A 57 10.947 -5.785 3.763 1.00 0.00 H new ATOM 922 N PRO A 58 12.895 -7.847 -1.161 1.00 0.00 N ATOM 923 CA PRO A 58 13.011 -8.144 -2.587 1.00 0.00 C ATOM 924 C PRO A 58 11.668 -8.212 -3.330 1.00 0.00 C ATOM 925 O PRO A 58 10.618 -7.864 -2.796 1.00 0.00 O ATOM 926 CB PRO A 58 13.717 -9.502 -2.630 1.00 0.00 C ATOM 927 CG PRO A 58 13.183 -10.194 -1.382 1.00 0.00 C ATOM 928 CD PRO A 58 13.150 -9.045 -0.379 1.00 0.00 C ATOM 0 HA PRO A 58 13.551 -7.346 -3.096 1.00 0.00 H new ATOM 0 HB2 PRO A 58 13.474 -10.057 -3.536 1.00 0.00 H new ATOM 0 HB3 PRO A 58 14.801 -9.396 -2.602 1.00 0.00 H new ATOM 0 HG2 PRO A 58 12.195 -10.624 -1.544 1.00 0.00 H new ATOM 0 HG3 PRO A 58 13.833 -11.005 -1.054 1.00 0.00 H new ATOM 0 HD2 PRO A 58 12.370 -9.199 0.367 1.00 0.00 H new ATOM 0 HD3 PRO A 58 14.095 -8.968 0.159 1.00 0.00 H new ATOM 936 N ASP A 59 11.744 -8.673 -4.584 1.00 0.00 N ATOM 937 CA ASP A 59 10.677 -8.765 -5.577 1.00 0.00 C ATOM 938 C ASP A 59 9.289 -9.090 -5.010 1.00 0.00 C ATOM 939 O ASP A 59 8.373 -8.267 -5.103 1.00 0.00 O ATOM 940 CB ASP A 59 11.113 -9.860 -6.564 1.00 0.00 C ATOM 941 CG ASP A 59 10.142 -10.082 -7.722 1.00 0.00 C ATOM 942 OD1 ASP A 59 8.961 -10.392 -7.453 1.00 0.00 O ATOM 943 OD2 ASP A 59 10.596 -9.940 -8.877 1.00 0.00 O ATOM 0 H ASP A 59 12.628 -9.019 -4.957 1.00 0.00 H new ATOM 0 HA ASP A 59 10.553 -7.786 -6.040 1.00 0.00 H new ATOM 0 HB2 ASP A 59 12.091 -9.600 -6.969 1.00 0.00 H new ATOM 0 HB3 ASP A 59 11.233 -10.797 -6.020 1.00 0.00 H new ATOM 948 N SER A 60 9.126 -10.281 -4.424 1.00 0.00 N ATOM 949 CA SER A 60 7.834 -10.746 -3.945 1.00 0.00 C ATOM 950 C SER A 60 7.254 -9.779 -2.922 1.00 0.00 C ATOM 951 O SER A 60 6.036 -9.670 -2.778 1.00 0.00 O ATOM 952 CB SER A 60 8.012 -12.129 -3.318 1.00 0.00 C ATOM 953 OG SER A 60 8.588 -13.001 -4.270 1.00 0.00 O ATOM 0 H SER A 60 9.887 -10.943 -4.272 1.00 0.00 H new ATOM 0 HA SER A 60 7.139 -10.802 -4.783 1.00 0.00 H new ATOM 0 HB2 SER A 60 8.649 -12.062 -2.436 1.00 0.00 H new ATOM 0 HB3 SER A 60 7.049 -12.518 -2.987 1.00 0.00 H new ATOM 0 HG SER A 60 8.706 -13.889 -3.872 1.00 0.00 H new ATOM 959 N HIS A 61 8.132 -9.071 -2.210 1.00 0.00 N ATOM 960 CA HIS A 61 7.723 -8.131 -1.191 1.00 0.00 C ATOM 961 C HIS A 61 7.524 -6.728 -1.757 1.00 0.00 C ATOM 962 O HIS A 61 6.888 -5.915 -1.096 1.00 0.00 O ATOM 963 CB HIS A 61 8.745 -8.151 -0.061 1.00 0.00 C ATOM 964 CG HIS A 61 8.920 -9.526 0.527 1.00 0.00 C ATOM 965 ND1 HIS A 61 10.135 -10.207 0.640 1.00 0.00 N ATOM 966 CD2 HIS A 61 7.919 -10.307 1.027 1.00 0.00 C ATOM 967 CE1 HIS A 61 9.835 -11.379 1.216 1.00 0.00 C ATOM 968 NE2 HIS A 61 8.515 -11.466 1.460 1.00 0.00 N ATOM 0 H HIS A 61 9.142 -9.140 -2.331 1.00 0.00 H new ATOM 0 HA HIS A 61 6.753 -8.433 -0.797 1.00 0.00 H new ATOM 0 HB2 HIS A 61 9.704 -7.794 -0.435 1.00 0.00 H new ATOM 0 HB3 HIS A 61 8.431 -7.461 0.722 1.00 0.00 H new ATOM 0 HD2 HIS A 61 6.868 -10.063 1.073 1.00 0.00 H new ATOM 0 HE1 HIS A 61 10.555 -12.149 1.452 1.00 0.00 H new ATOM 0 HE2 HIS A 61 8.038 -12.257 1.893 1.00 0.00 H new ATOM 976 N LYS A 62 8.043 -6.421 -2.955 1.00 0.00 N ATOM 977 CA LYS A 62 7.693 -5.178 -3.630 1.00 0.00 C ATOM 978 C LYS A 62 6.249 -5.293 -4.101 1.00 0.00 C ATOM 979 O LYS A 62 5.470 -4.350 -3.979 1.00 0.00 O ATOM 980 CB LYS A 62 8.621 -4.932 -4.824 1.00 0.00 C ATOM 981 CG LYS A 62 10.075 -4.692 -4.417 1.00 0.00 C ATOM 982 CD LYS A 62 10.215 -3.398 -3.618 1.00 0.00 C ATOM 983 CE LYS A 62 11.684 -3.129 -3.289 1.00 0.00 C ATOM 984 NZ LYS A 62 12.475 -2.860 -4.504 1.00 0.00 N ATOM 0 H LYS A 62 8.698 -7.013 -3.465 1.00 0.00 H new ATOM 0 HA LYS A 62 7.805 -4.337 -2.945 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.575 -5.790 -5.495 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.260 -4.070 -5.385 1.00 0.00 H new ATOM 0 HG2 LYS A 62 10.433 -5.532 -3.821 1.00 0.00 H new ATOM 0 HG3 LYS A 62 10.702 -4.643 -5.307 1.00 0.00 H new ATOM 0 HD2 LYS A 62 9.805 -2.565 -4.189 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.637 -3.468 -2.697 1.00 0.00 H new ATOM 0 HE2 LYS A 62 11.755 -2.277 -2.612 1.00 0.00 H new ATOM 0 HE3 LYS A 62 12.103 -3.988 -2.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 13.381 -2.423 -4.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 12.655 -3.753 -5.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 11.948 -2.214 -5.126 1.00 0.00 H new ATOM 998 N LEU A 63 5.885 -6.461 -4.644 1.00 0.00 N ATOM 999 CA LEU A 63 4.506 -6.683 -5.057 1.00 0.00 C ATOM 1000 C LEU A 63 3.600 -6.712 -3.822 1.00 0.00 C ATOM 1001 O LEU A 63 2.552 -6.064 -3.791 1.00 0.00 O ATOM 1002 CB LEU A 63 4.432 -7.986 -5.857 1.00 0.00 C ATOM 1003 CG LEU A 63 3.012 -8.284 -6.348 1.00 0.00 C ATOM 1004 CD1 LEU A 63 2.498 -7.186 -7.277 1.00 0.00 C ATOM 1005 CD2 LEU A 63 3.021 -9.602 -7.115 1.00 0.00 C ATOM 0 H LEU A 63 6.515 -7.247 -4.803 1.00 0.00 H new ATOM 0 HA LEU A 63 4.159 -5.872 -5.698 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.105 -7.924 -6.712 1.00 0.00 H new ATOM 0 HB3 LEU A 63 4.781 -8.812 -5.237 1.00 0.00 H new ATOM 0 HG LEU A 63 2.356 -8.338 -5.479 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.488 -7.431 -7.606 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.486 -6.235 -6.744 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.153 -7.107 -8.145 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.014 -9.824 -7.469 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.696 -9.523 -7.967 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.359 -10.403 -6.458 1.00 0.00 H new ATOM 1017 N GLY A 64 4.011 -7.470 -2.799 1.00 0.00 N ATOM 1018 CA GLY A 64 3.267 -7.566 -1.556 1.00 0.00 C ATOM 1019 C GLY A 64 3.103 -6.198 -0.912 1.00 0.00 C ATOM 1020 O GLY A 64 2.006 -5.848 -0.481 1.00 0.00 O ATOM 0 H GLY A 64 4.865 -8.028 -2.817 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.286 -8.002 -1.748 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.784 -8.236 -0.869 1.00 0.00 H new ATOM 1024 N SER A 65 4.183 -5.413 -0.843 1.00 0.00 N ATOM 1025 CA SER A 65 4.113 -4.104 -0.222 1.00 0.00 C ATOM 1026 C SER A 65 3.157 -3.208 -0.994 1.00 0.00 C ATOM 1027 O SER A 65 2.389 -2.482 -0.373 1.00 0.00 O ATOM 1028 CB SER A 65 5.494 -3.456 -0.132 1.00 0.00 C ATOM 1029 OG SER A 65 5.980 -3.152 -1.420 1.00 0.00 O ATOM 0 H SER A 65 5.102 -5.665 -1.207 1.00 0.00 H new ATOM 0 HA SER A 65 3.738 -4.232 0.794 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.437 -2.547 0.466 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.186 -4.129 0.375 1.00 0.00 H new ATOM 0 HG SER A 65 5.630 -3.803 -2.064 1.00 0.00 H new ATOM 1035 N LEU A 66 3.177 -3.236 -2.330 1.00 0.00 N ATOM 1036 CA LEU A 66 2.238 -2.419 -3.082 1.00 0.00 C ATOM 1037 C LEU A 66 0.793 -2.813 -2.787 1.00 0.00 C ATOM 1038 O LEU A 66 -0.043 -1.922 -2.674 1.00 0.00 O ATOM 1039 CB LEU A 66 2.525 -2.486 -4.581 1.00 0.00 C ATOM 1040 CG LEU A 66 3.784 -1.707 -4.975 1.00 0.00 C ATOM 1041 CD1 LEU A 66 3.905 -1.743 -6.496 1.00 0.00 C ATOM 1042 CD2 LEU A 66 3.725 -0.240 -4.548 1.00 0.00 C ATOM 0 H LEU A 66 3.814 -3.799 -2.893 1.00 0.00 H new ATOM 0 HA LEU A 66 2.373 -1.387 -2.758 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.639 -3.528 -4.879 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.670 -2.089 -5.129 1.00 0.00 H new ATOM 0 HG LEU A 66 4.633 -2.172 -4.475 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.795 -1.194 -6.803 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.983 -2.778 -6.830 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.023 -1.283 -6.942 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.642 0.265 -4.852 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.871 0.243 -5.022 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.620 -0.180 -3.465 1.00 0.00 H new ATOM 1054 N TYR A 67 0.470 -4.106 -2.662 1.00 0.00 N ATOM 1055 CA TYR A 67 -0.910 -4.466 -2.331 1.00 0.00 C ATOM 1056 C TYR A 67 -1.269 -4.029 -0.906 1.00 0.00 C ATOM 1057 O TYR A 67 -2.410 -3.651 -0.647 1.00 0.00 O ATOM 1058 CB TYR A 67 -1.145 -5.964 -2.549 1.00 0.00 C ATOM 1059 CG TYR A 67 -1.527 -6.314 -3.975 1.00 0.00 C ATOM 1060 CD1 TYR A 67 -0.683 -5.947 -5.036 1.00 0.00 C ATOM 1061 CD2 TYR A 67 -2.726 -7.003 -4.241 1.00 0.00 C ATOM 1062 CE1 TYR A 67 -1.042 -6.241 -6.358 1.00 0.00 C ATOM 1063 CE2 TYR A 67 -3.089 -7.299 -5.560 1.00 0.00 C ATOM 1064 CZ TYR A 67 -2.251 -6.916 -6.626 1.00 0.00 C ATOM 1065 OH TYR A 67 -2.610 -7.198 -7.909 1.00 0.00 O ATOM 0 H TYR A 67 1.114 -4.888 -2.779 1.00 0.00 H new ATOM 0 HA TYR A 67 -1.577 -3.929 -3.005 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -0.240 -6.509 -2.279 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.933 -6.302 -1.876 1.00 0.00 H new ATOM 0 HD1 TYR A 67 0.246 -5.436 -4.832 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -3.367 -7.304 -3.425 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.393 -5.951 -7.171 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -4.013 -7.822 -5.761 1.00 0.00 H new ATOM 0 HH TYR A 67 -3.470 -7.667 -7.912 1.00 0.00 H new ATOM 1075 N ILE A 68 -0.314 -4.074 0.029 1.00 0.00 N ATOM 1076 CA ILE A 68 -0.540 -3.622 1.400 1.00 0.00 C ATOM 1077 C ILE A 68 -0.732 -2.106 1.439 1.00 0.00 C ATOM 1078 O ILE A 68 -1.684 -1.616 2.046 1.00 0.00 O ATOM 1079 CB ILE A 68 0.643 -4.068 2.272 1.00 0.00 C ATOM 1080 CG1 ILE A 68 0.674 -5.599 2.341 1.00 0.00 C ATOM 1081 CG2 ILE A 68 0.538 -3.486 3.683 1.00 0.00 C ATOM 1082 CD1 ILE A 68 2.047 -6.096 2.795 1.00 0.00 C ATOM 0 H ILE A 68 0.629 -4.422 -0.144 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.453 -4.070 1.794 1.00 0.00 H new ATOM 0 HB ILE A 68 1.565 -3.699 1.822 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.092 -5.952 3.032 1.00 0.00 H new ATOM 0 HG13 ILE A 68 0.437 -6.016 1.362 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.389 -3.818 4.278 1.00 0.00 H new ATOM 0 HG22 ILE A 68 0.537 -2.397 3.628 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -0.386 -3.827 4.149 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.044 -7.185 2.836 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.807 -5.762 2.089 1.00 0.00 H new ATOM 0 HD13 ILE A 68 2.270 -5.696 3.784 1.00 0.00 H new ATOM 1094 N ILE A 69 0.170 -1.362 0.790 1.00 0.00 N ATOM 1095 CA ILE A 69 0.129 0.093 0.716 1.00 0.00 C ATOM 1096 C ILE A 69 -1.146 0.528 0.000 1.00 0.00 C ATOM 1097 O ILE A 69 -1.729 1.558 0.333 1.00 0.00 O ATOM 1098 CB ILE A 69 1.374 0.587 -0.033 1.00 0.00 C ATOM 1099 CG1 ILE A 69 2.635 0.303 0.795 1.00 0.00 C ATOM 1100 CG2 ILE A 69 1.279 2.087 -0.319 1.00 0.00 C ATOM 1101 CD1 ILE A 69 3.893 0.348 -0.068 1.00 0.00 C ATOM 0 H ILE A 69 0.963 -1.768 0.293 1.00 0.00 H new ATOM 0 HA ILE A 69 0.125 0.525 1.717 1.00 0.00 H new ATOM 0 HB ILE A 69 1.433 0.053 -0.981 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.717 1.036 1.598 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.550 -0.677 1.265 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.173 2.413 -0.850 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.400 2.286 -0.932 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.197 2.632 0.621 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.766 0.142 0.551 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.821 -0.403 -0.855 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.991 1.336 -0.517 1.00 0.00 H new ATOM 1113 N ASP A 70 -1.581 -0.261 -0.983 1.00 0.00 N ATOM 1114 CA ASP A 70 -2.806 -0.008 -1.722 1.00 0.00 C ATOM 1115 C ASP A 70 -4.019 -0.195 -0.823 1.00 0.00 C ATOM 1116 O ASP A 70 -4.930 0.628 -0.857 1.00 0.00 O ATOM 1117 CB ASP A 70 -2.845 -0.961 -2.915 1.00 0.00 C ATOM 1118 CG ASP A 70 -4.136 -0.841 -3.713 1.00 0.00 C ATOM 1119 OD1 ASP A 70 -4.227 0.117 -4.510 1.00 0.00 O ATOM 1120 OD2 ASP A 70 -5.010 -1.711 -3.512 1.00 0.00 O ATOM 0 H ASP A 70 -1.085 -1.099 -1.287 1.00 0.00 H new ATOM 0 HA ASP A 70 -2.829 1.022 -2.078 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -1.997 -0.756 -3.568 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -2.734 -1.986 -2.561 1.00 0.00 H new ATOM 1125 N SER A 71 -4.056 -1.257 -0.015 1.00 0.00 N ATOM 1126 CA SER A 71 -5.222 -1.489 0.814 1.00 0.00 C ATOM 1127 C SER A 71 -5.351 -0.416 1.890 1.00 0.00 C ATOM 1128 O SER A 71 -6.421 0.165 2.052 1.00 0.00 O ATOM 1129 CB SER A 71 -5.146 -2.875 1.449 1.00 0.00 C ATOM 1130 OG SER A 71 -4.877 -3.859 0.478 1.00 0.00 O ATOM 0 H SER A 71 -3.311 -1.947 0.077 1.00 0.00 H new ATOM 0 HA SER A 71 -6.108 -1.438 0.181 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.367 -2.888 2.211 1.00 0.00 H new ATOM 0 HB3 SER A 71 -6.087 -3.101 1.951 1.00 0.00 H new ATOM 0 HG SER A 71 -5.639 -3.932 -0.134 1.00 0.00 H new ATOM 1136 N ILE A 72 -4.266 -0.154 2.623 1.00 0.00 N ATOM 1137 CA ILE A 72 -4.265 0.855 3.671 1.00 0.00 C ATOM 1138 C ILE A 72 -4.426 2.249 3.067 1.00 0.00 C ATOM 1139 O ILE A 72 -5.110 3.090 3.644 1.00 0.00 O ATOM 1140 CB ILE A 72 -2.970 0.727 4.486 1.00 0.00 C ATOM 1141 CG1 ILE A 72 -2.918 -0.664 5.134 1.00 0.00 C ATOM 1142 CG2 ILE A 72 -2.913 1.811 5.565 1.00 0.00 C ATOM 1143 CD1 ILE A 72 -1.644 -0.879 5.951 1.00 0.00 C ATOM 0 H ILE A 72 -3.374 -0.634 2.504 1.00 0.00 H new ATOM 0 HA ILE A 72 -5.110 0.700 4.342 1.00 0.00 H new ATOM 0 HB ILE A 72 -2.113 0.854 3.824 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -3.787 -0.794 5.780 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.981 -1.426 4.357 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.990 1.709 6.135 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -2.942 2.794 5.095 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -3.767 1.703 6.234 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.656 -1.877 6.388 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.774 -0.778 5.302 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.592 -0.135 6.746 1.00 0.00 H new ATOM 1155 N GLY A 73 -3.805 2.506 1.913 1.00 0.00 N ATOM 1156 CA GLY A 73 -3.857 3.812 1.267 1.00 0.00 C ATOM 1157 C GLY A 73 -5.265 4.153 0.790 1.00 0.00 C ATOM 1158 O GLY A 73 -5.743 5.261 1.021 1.00 0.00 O ATOM 0 H GLY A 73 -3.254 1.814 1.404 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -3.515 4.576 1.965 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.173 3.825 0.419 1.00 0.00 H new ATOM 1162 N ARG A 74 -5.932 3.205 0.122 1.00 0.00 N ATOM 1163 CA ARG A 74 -7.299 3.395 -0.357 1.00 0.00 C ATOM 1164 C ARG A 74 -8.276 3.452 0.808 1.00 0.00 C ATOM 1165 O ARG A 74 -9.241 4.213 0.763 1.00 0.00 O ATOM 1166 CB ARG A 74 -7.652 2.243 -1.300 1.00 0.00 C ATOM 1167 CG ARG A 74 -7.139 2.541 -2.707 1.00 0.00 C ATOM 1168 CD ARG A 74 -6.720 1.259 -3.424 1.00 0.00 C ATOM 1169 NE ARG A 74 -7.815 0.324 -3.687 1.00 0.00 N ATOM 1170 CZ ARG A 74 -8.008 -0.776 -2.959 1.00 0.00 C ATOM 1171 NH1 ARG A 74 -7.296 -0.995 -1.859 1.00 0.00 N ATOM 1172 NH2 ARG A 74 -8.916 -1.671 -3.325 1.00 0.00 N ATOM 0 H ARG A 74 -5.539 2.290 -0.099 1.00 0.00 H new ATOM 0 HA ARG A 74 -7.369 4.342 -0.892 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -7.213 1.315 -0.933 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -8.732 2.098 -1.321 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -7.916 3.045 -3.281 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -6.291 3.224 -2.651 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -6.251 1.525 -4.371 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -5.963 0.753 -2.824 1.00 0.00 H new ATOM 0 HE ARG A 74 -8.455 0.522 -4.457 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -6.593 -0.318 -1.563 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -7.453 -1.840 -1.310 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -9.471 -1.519 -4.167 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -9.059 -2.511 -2.764 1.00 0.00 H new ATOM 1186 N ALA A 75 -8.035 2.654 1.849 1.00 0.00 N ATOM 1187 CA ALA A 75 -8.885 2.673 3.024 1.00 0.00 C ATOM 1188 C ALA A 75 -8.748 4.006 3.759 1.00 0.00 C ATOM 1189 O ALA A 75 -9.740 4.552 4.238 1.00 0.00 O ATOM 1190 CB ALA A 75 -8.509 1.493 3.917 1.00 0.00 C ATOM 0 H ALA A 75 -7.260 1.992 1.896 1.00 0.00 H new ATOM 0 HA ALA A 75 -9.931 2.575 2.734 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -9.140 1.494 4.806 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -8.654 0.562 3.370 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.464 1.580 4.214 1.00 0.00 H new ATOM 1196 N TYR A 76 -7.523 4.539 3.852 1.00 0.00 N ATOM 1197 CA TYR A 76 -7.289 5.840 4.450 1.00 0.00 C ATOM 1198 C TYR A 76 -7.953 6.919 3.613 1.00 0.00 C ATOM 1199 O TYR A 76 -8.652 7.767 4.162 1.00 0.00 O ATOM 1200 CB TYR A 76 -5.788 6.130 4.531 1.00 0.00 C ATOM 1201 CG TYR A 76 -5.032 5.443 5.648 1.00 0.00 C ATOM 1202 CD1 TYR A 76 -5.604 4.395 6.385 1.00 0.00 C ATOM 1203 CD2 TYR A 76 -3.731 5.876 5.947 1.00 0.00 C ATOM 1204 CE1 TYR A 76 -4.885 3.797 7.430 1.00 0.00 C ATOM 1205 CE2 TYR A 76 -3.011 5.286 6.995 1.00 0.00 C ATOM 1206 CZ TYR A 76 -3.591 4.250 7.750 1.00 0.00 C ATOM 1207 OH TYR A 76 -2.901 3.694 8.785 1.00 0.00 O ATOM 0 H TYR A 76 -6.678 4.077 3.515 1.00 0.00 H new ATOM 0 HA TYR A 76 -7.711 5.836 5.455 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -5.333 5.844 3.583 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -5.653 7.206 4.638 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -6.599 4.049 6.147 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -3.282 6.668 5.366 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -5.325 2.986 7.991 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -2.012 5.626 7.223 1.00 0.00 H new ATOM 0 HH TYR A 76 -2.025 4.126 8.864 1.00 0.00 H new ATOM 1217 N LEU A 77 -7.738 6.885 2.294 1.00 0.00 N ATOM 1218 CA LEU A 77 -8.271 7.890 1.393 1.00 0.00 C ATOM 1219 C LEU A 77 -9.791 7.961 1.531 1.00 0.00 C ATOM 1220 O LEU A 77 -10.357 9.052 1.576 1.00 0.00 O ATOM 1221 CB LEU A 77 -7.854 7.530 -0.035 1.00 0.00 C ATOM 1222 CG LEU A 77 -8.363 8.536 -1.075 1.00 0.00 C ATOM 1223 CD1 LEU A 77 -7.821 9.938 -0.809 1.00 0.00 C ATOM 1224 CD2 LEU A 77 -7.902 8.086 -2.458 1.00 0.00 C ATOM 0 H LEU A 77 -7.191 6.160 1.831 1.00 0.00 H new ATOM 0 HA LEU A 77 -7.874 8.875 1.641 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -6.767 7.478 -0.089 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -8.233 6.538 -0.280 1.00 0.00 H new ATOM 0 HG LEU A 77 -9.451 8.572 -1.015 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -8.202 10.625 -1.565 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.142 10.271 0.178 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.732 9.921 -0.850 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -8.257 8.793 -3.208 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.813 8.047 -2.484 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.306 7.096 -2.672 1.00 0.00 H new ATOM 1236 N ASP A 78 -10.455 6.804 1.601 1.00 0.00 N ATOM 1237 CA ASP A 78 -11.898 6.763 1.772 1.00 0.00 C ATOM 1238 C ASP A 78 -12.297 7.287 3.146 1.00 0.00 C ATOM 1239 O ASP A 78 -13.265 8.036 3.266 1.00 0.00 O ATOM 1240 CB ASP A 78 -12.388 5.325 1.612 1.00 0.00 C ATOM 1241 CG ASP A 78 -13.913 5.266 1.636 1.00 0.00 C ATOM 1242 OD1 ASP A 78 -14.526 5.707 0.638 1.00 0.00 O ATOM 1243 OD2 ASP A 78 -14.455 4.779 2.655 1.00 0.00 O ATOM 0 H ASP A 78 -10.011 5.888 1.541 1.00 0.00 H new ATOM 0 HA ASP A 78 -12.356 7.398 1.014 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -12.018 4.912 0.673 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -11.983 4.707 2.413 1.00 0.00 H new ATOM 1248 N GLU A 79 -11.553 6.894 4.184 1.00 0.00 N ATOM 1249 CA GLU A 79 -11.880 7.267 5.547 1.00 0.00 C ATOM 1250 C GLU A 79 -11.814 8.781 5.743 1.00 0.00 C ATOM 1251 O GLU A 79 -12.670 9.351 6.418 1.00 0.00 O ATOM 1252 CB GLU A 79 -10.932 6.544 6.509 1.00 0.00 C ATOM 1253 CG GLU A 79 -11.312 6.794 7.970 1.00 0.00 C ATOM 1254 CD GLU A 79 -12.700 6.243 8.300 1.00 0.00 C ATOM 1255 OE1 GLU A 79 -12.883 5.012 8.157 1.00 0.00 O ATOM 1256 OE2 GLU A 79 -13.565 7.055 8.692 1.00 0.00 O ATOM 0 H GLU A 79 -10.718 6.315 4.097 1.00 0.00 H new ATOM 0 HA GLU A 79 -12.906 6.965 5.759 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.953 5.473 6.305 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -9.910 6.881 6.336 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -10.572 6.329 8.622 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -11.289 7.865 8.173 1.00 0.00 H new ATOM 1263 N THR A 80 -10.806 9.441 5.159 1.00 0.00 N ATOM 1264 CA THR A 80 -10.659 10.884 5.304 1.00 0.00 C ATOM 1265 C THR A 80 -11.517 11.648 4.296 1.00 0.00 C ATOM 1266 O THR A 80 -11.907 12.783 4.565 1.00 0.00 O ATOM 1267 CB THR A 80 -9.179 11.282 5.248 1.00 0.00 C ATOM 1268 OG1 THR A 80 -9.057 12.657 5.538 1.00 0.00 O ATOM 1269 CG2 THR A 80 -8.520 11.017 3.896 1.00 0.00 C ATOM 0 H THR A 80 -10.088 8.997 4.587 1.00 0.00 H new ATOM 0 HA THR A 80 -11.033 11.169 6.287 1.00 0.00 H new ATOM 0 HB THR A 80 -8.667 10.662 5.984 1.00 0.00 H new ATOM 0 HG1 THR A 80 -8.197 12.987 5.204 1.00 0.00 H new ATOM 0 HG21 THR A 80 -7.475 11.324 3.934 1.00 0.00 H new ATOM 0 HG22 THR A 80 -8.578 9.953 3.665 1.00 0.00 H new ATOM 0 HG23 THR A 80 -9.037 11.584 3.122 1.00 0.00 H new ATOM 1277 N ARG A 81 -11.819 11.048 3.136 1.00 0.00 N ATOM 1278 CA ARG A 81 -12.703 11.672 2.159 1.00 0.00 C ATOM 1279 C ARG A 81 -14.157 11.589 2.613 1.00 0.00 C ATOM 1280 O ARG A 81 -14.980 12.400 2.195 1.00 0.00 O ATOM 1281 CB ARG A 81 -12.491 11.013 0.794 1.00 0.00 C ATOM 1282 CG ARG A 81 -13.339 11.645 -0.316 1.00 0.00 C ATOM 1283 CD ARG A 81 -13.146 13.162 -0.410 1.00 0.00 C ATOM 1284 NE ARG A 81 -11.742 13.514 -0.641 1.00 0.00 N ATOM 1285 CZ ARG A 81 -11.148 14.608 -0.154 1.00 0.00 C ATOM 1286 NH1 ARG A 81 -11.823 15.477 0.597 1.00 0.00 N ATOM 1287 NH2 ARG A 81 -9.864 14.834 -0.422 1.00 0.00 N ATOM 0 H ARG A 81 -11.462 10.134 2.858 1.00 0.00 H new ATOM 0 HA ARG A 81 -12.461 12.731 2.071 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -11.438 11.083 0.523 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -12.731 9.952 0.868 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -13.079 11.189 -1.271 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -14.391 11.426 -0.134 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -13.759 13.558 -1.220 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -13.493 13.631 0.511 1.00 0.00 H new ATOM 0 HE ARG A 81 -11.181 12.882 -1.212 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -12.807 15.312 0.808 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -11.356 16.307 0.961 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -9.339 14.174 -0.996 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -9.405 15.667 -0.053 1.00 0.00 H new ATOM 1441 N THR A 93 -2.919 12.290 11.029 1.00 0.00 N ATOM 1442 CA THR A 93 -3.497 10.948 11.030 1.00 0.00 C ATOM 1443 C THR A 93 -3.446 10.358 9.618 1.00 0.00 C ATOM 1444 O THR A 93 -2.550 10.712 8.856 1.00 0.00 O ATOM 1445 CB THR A 93 -4.915 10.987 11.610 1.00 0.00 C ATOM 1446 OG1 THR A 93 -5.356 12.307 11.860 1.00 0.00 O ATOM 1447 CG2 THR A 93 -4.884 10.216 12.931 1.00 0.00 C ATOM 0 HA THR A 93 -2.912 10.289 11.672 1.00 0.00 H new ATOM 0 HB THR A 93 -5.605 10.547 10.890 1.00 0.00 H new ATOM 0 HG1 THR A 93 -4.688 12.943 11.529 1.00 0.00 H new ATOM 0 HG21 THR A 93 -5.878 10.220 13.378 1.00 0.00 H new ATOM 0 HG22 THR A 93 -4.574 9.188 12.745 1.00 0.00 H new ATOM 0 HG23 THR A 93 -4.178 10.690 13.613 1.00 0.00 H new ATOM 1455 N CYS A 94 -4.376 9.469 9.250 1.00 0.00 N ATOM 1456 CA CYS A 94 -4.396 8.823 7.942 1.00 0.00 C ATOM 1457 C CYS A 94 -4.237 9.809 6.777 1.00 0.00 C ATOM 1458 O CYS A 94 -3.690 9.452 5.736 1.00 0.00 O ATOM 1459 CB CYS A 94 -5.709 8.048 7.805 1.00 0.00 C ATOM 1460 SG CYS A 94 -7.116 9.159 8.065 1.00 0.00 S ATOM 0 H CYS A 94 -5.140 9.179 9.860 1.00 0.00 H new ATOM 0 HA CYS A 94 -3.539 8.152 7.887 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -5.771 7.595 6.816 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -5.738 7.235 8.531 1.00 0.00 H new ATOM 0 HG CYS A 94 -8.225 8.491 7.944 1.00 0.00 H new ATOM 1466 N ALA A 95 -4.705 11.053 6.925 1.00 0.00 N ATOM 1467 CA ALA A 95 -4.502 12.062 5.895 1.00 0.00 C ATOM 1468 C ALA A 95 -3.006 12.365 5.748 1.00 0.00 C ATOM 1469 O ALA A 95 -2.467 12.422 4.640 1.00 0.00 O ATOM 1470 CB ALA A 95 -5.277 13.315 6.290 1.00 0.00 C ATOM 0 H ALA A 95 -5.222 11.378 7.742 1.00 0.00 H new ATOM 0 HA ALA A 95 -4.865 11.701 4.932 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -5.138 14.084 5.530 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -6.337 13.076 6.374 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -4.911 13.682 7.249 1.00 0.00 H new ATOM 1476 N HIS A 96 -2.334 12.560 6.887 1.00 0.00 N ATOM 1477 CA HIS A 96 -0.908 12.831 6.925 1.00 0.00 C ATOM 1478 C HIS A 96 -0.136 11.618 6.431 1.00 0.00 C ATOM 1479 O HIS A 96 0.930 11.745 5.834 1.00 0.00 O ATOM 1480 CB HIS A 96 -0.502 13.125 8.367 1.00 0.00 C ATOM 1481 CG HIS A 96 0.812 13.857 8.464 1.00 0.00 C ATOM 1482 ND1 HIS A 96 1.070 15.129 7.945 1.00 0.00 N ATOM 1483 CD2 HIS A 96 1.937 13.382 9.072 1.00 0.00 C ATOM 1484 CE1 HIS A 96 2.350 15.387 8.260 1.00 0.00 C ATOM 1485 NE2 HIS A 96 2.895 14.357 8.933 1.00 0.00 N ATOM 0 H HIS A 96 -2.773 12.533 7.808 1.00 0.00 H new ATOM 0 HA HIS A 96 -0.683 13.685 6.285 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -1.280 13.719 8.845 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -0.433 12.188 8.919 1.00 0.00 H new ATOM 0 HD2 HIS A 96 2.052 12.428 9.565 1.00 0.00 H new ATOM 0 HE1 HIS A 96 2.872 16.298 8.007 1.00 0.00 H new ATOM 0 HE2 HIS A 96 3.853 14.309 9.280 1.00 0.00 H new ATOM 1493 N ALA A 97 -0.689 10.437 6.689 1.00 0.00 N ATOM 1494 CA ALA A 97 -0.102 9.174 6.299 1.00 0.00 C ATOM 1495 C ALA A 97 -0.039 9.058 4.779 1.00 0.00 C ATOM 1496 O ALA A 97 0.983 8.653 4.225 1.00 0.00 O ATOM 1497 CB ALA A 97 -0.961 8.083 6.918 1.00 0.00 C ATOM 0 H ALA A 97 -1.575 10.337 7.185 1.00 0.00 H new ATOM 0 HA ALA A 97 0.925 9.086 6.652 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -0.557 7.106 6.651 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -0.961 8.192 8.003 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.982 8.168 6.545 1.00 0.00 H new ATOM 1503 N ILE A 98 -1.133 9.413 4.099 1.00 0.00 N ATOM 1504 CA ILE A 98 -1.141 9.453 2.644 1.00 0.00 C ATOM 1505 C ILE A 98 -0.137 10.504 2.174 1.00 0.00 C ATOM 1506 O ILE A 98 0.611 10.275 1.223 1.00 0.00 O ATOM 1507 CB ILE A 98 -2.557 9.774 2.147 1.00 0.00 C ATOM 1508 CG1 ILE A 98 -3.516 8.637 2.524 1.00 0.00 C ATOM 1509 CG2 ILE A 98 -2.563 9.966 0.627 1.00 0.00 C ATOM 1510 CD1 ILE A 98 -4.971 9.042 2.294 1.00 0.00 C ATOM 0 H ILE A 98 -2.017 9.675 4.535 1.00 0.00 H new ATOM 0 HA ILE A 98 -0.852 8.485 2.234 1.00 0.00 H new ATOM 0 HB ILE A 98 -2.886 10.699 2.621 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -3.284 7.751 1.932 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -3.372 8.368 3.570 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -3.575 10.193 0.293 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -1.900 10.790 0.362 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -2.218 9.052 0.143 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -5.627 8.216 2.570 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -5.207 9.913 2.906 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -5.119 9.286 1.242 1.00 0.00 H new ATOM 1522 N ASN A 99 -0.120 11.661 2.840 1.00 0.00 N ATOM 1523 CA ASN A 99 0.810 12.721 2.486 1.00 0.00 C ATOM 1524 C ASN A 99 2.263 12.248 2.614 1.00 0.00 C ATOM 1525 O ASN A 99 3.115 12.653 1.823 1.00 0.00 O ATOM 1526 CB ASN A 99 0.542 13.924 3.394 1.00 0.00 C ATOM 1527 CG ASN A 99 1.254 15.187 2.925 1.00 0.00 C ATOM 1528 OD1 ASN A 99 1.746 15.268 1.803 1.00 0.00 O ATOM 1529 ND2 ASN A 99 1.315 16.192 3.792 1.00 0.00 N ATOM 0 H ASN A 99 -0.738 11.881 3.621 1.00 0.00 H new ATOM 0 HA ASN A 99 0.660 13.006 1.445 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -0.531 14.111 3.435 1.00 0.00 H new ATOM 0 HB3 ASN A 99 0.863 13.687 4.408 1.00 0.00 H new ATOM 0 HD21 ASN A 99 1.780 17.062 3.533 1.00 0.00 H new ATOM 0 HD22 ASN A 99 0.896 16.094 4.717 1.00 0.00 H new ATOM 1536 N THR A 100 2.552 11.394 3.602 1.00 0.00 N ATOM 1537 CA THR A 100 3.893 10.861 3.801 1.00 0.00 C ATOM 1538 C THR A 100 4.247 9.841 2.725 1.00 0.00 C ATOM 1539 O THR A 100 5.371 9.844 2.234 1.00 0.00 O ATOM 1540 CB THR A 100 4.034 10.262 5.200 1.00 0.00 C ATOM 1541 OG1 THR A 100 3.818 11.263 6.171 1.00 0.00 O ATOM 1542 CG2 THR A 100 5.446 9.712 5.387 1.00 0.00 C ATOM 0 H THR A 100 1.866 11.059 4.278 1.00 0.00 H new ATOM 0 HA THR A 100 4.600 11.686 3.715 1.00 0.00 H new ATOM 0 HB THR A 100 3.301 9.463 5.313 1.00 0.00 H new ATOM 0 HG1 THR A 100 2.871 11.514 6.177 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.541 9.286 6.386 1.00 0.00 H new ATOM 0 HG22 THR A 100 5.637 8.939 4.643 1.00 0.00 H new ATOM 0 HG23 THR A 100 6.170 10.518 5.266 1.00 0.00 H new ATOM 1550 N LEU A 101 3.320 8.956 2.335 1.00 0.00 N ATOM 1551 CA LEU A 101 3.612 8.052 1.228 1.00 0.00 C ATOM 1552 C LEU A 101 3.882 8.877 -0.028 1.00 0.00 C ATOM 1553 O LEU A 101 4.640 8.456 -0.898 1.00 0.00 O ATOM 1554 CB LEU A 101 2.431 7.118 0.963 1.00 0.00 C ATOM 1555 CG LEU A 101 2.247 6.040 2.029 1.00 0.00 C ATOM 1556 CD1 LEU A 101 0.850 5.439 1.891 1.00 0.00 C ATOM 1557 CD2 LEU A 101 3.277 4.930 1.827 1.00 0.00 C ATOM 0 H LEU A 101 2.396 8.851 2.755 1.00 0.00 H new ATOM 0 HA LEU A 101 4.483 7.451 1.488 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.519 7.711 0.898 1.00 0.00 H new ATOM 0 HB3 LEU A 101 2.570 6.638 -0.006 1.00 0.00 H new ATOM 0 HG LEU A 101 2.376 6.484 3.016 1.00 0.00 H new ATOM 0 HD11 LEU A 101 0.709 4.668 2.648 1.00 0.00 H new ATOM 0 HD12 LEU A 101 0.103 6.221 2.026 1.00 0.00 H new ATOM 0 HD13 LEU A 101 0.740 4.999 0.900 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.141 4.164 2.590 1.00 0.00 H new ATOM 0 HD22 LEU A 101 3.145 4.486 0.840 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.281 5.347 1.906 1.00 0.00 H new ATOM 1569 N GLY A 102 3.260 10.055 -0.122 1.00 0.00 N ATOM 1570 CA GLY A 102 3.443 10.973 -1.235 1.00 0.00 C ATOM 1571 C GLY A 102 4.897 11.407 -1.450 1.00 0.00 C ATOM 1572 O GLY A 102 5.204 11.955 -2.507 1.00 0.00 O ATOM 0 H GLY A 102 2.608 10.397 0.584 1.00 0.00 H new ATOM 0 HA2 GLY A 102 3.077 10.501 -2.147 1.00 0.00 H new ATOM 0 HA3 GLY A 102 2.831 11.859 -1.067 1.00 0.00 H new ATOM 1576 N GLU A 103 5.798 11.179 -0.485 1.00 0.00 N ATOM 1577 CA GLU A 103 7.191 11.593 -0.623 1.00 0.00 C ATOM 1578 C GLU A 103 8.118 10.410 -0.923 1.00 0.00 C ATOM 1579 O GLU A 103 9.315 10.606 -1.136 1.00 0.00 O ATOM 1580 CB GLU A 103 7.633 12.391 0.606 1.00 0.00 C ATOM 1581 CG GLU A 103 8.203 11.517 1.724 1.00 0.00 C ATOM 1582 CD GLU A 103 8.545 12.371 2.944 1.00 0.00 C ATOM 1583 OE1 GLU A 103 7.608 12.701 3.704 1.00 0.00 O ATOM 1584 OE2 GLU A 103 9.745 12.689 3.108 1.00 0.00 O ATOM 0 H GLU A 103 5.583 10.711 0.395 1.00 0.00 H new ATOM 0 HA GLU A 103 7.266 12.252 -1.488 1.00 0.00 H new ATOM 0 HB2 GLU A 103 8.385 13.120 0.305 1.00 0.00 H new ATOM 0 HB3 GLU A 103 6.782 12.952 0.991 1.00 0.00 H new ATOM 0 HG2 GLU A 103 7.479 10.750 2.000 1.00 0.00 H new ATOM 0 HG3 GLU A 103 9.096 11.001 1.372 1.00 0.00 H new ATOM 1591 N VAL A 104 7.576 9.189 -0.942 1.00 0.00 N ATOM 1592 CA VAL A 104 8.358 7.980 -1.191 1.00 0.00 C ATOM 1593 C VAL A 104 7.815 7.184 -2.368 1.00 0.00 C ATOM 1594 O VAL A 104 8.520 6.328 -2.901 1.00 0.00 O ATOM 1595 CB VAL A 104 8.360 7.090 0.050 1.00 0.00 C ATOM 1596 CG1 VAL A 104 9.018 7.806 1.227 1.00 0.00 C ATOM 1597 CG2 VAL A 104 6.926 6.696 0.404 1.00 0.00 C ATOM 0 H VAL A 104 6.584 9.013 -0.785 1.00 0.00 H new ATOM 0 HA VAL A 104 9.373 8.298 -1.429 1.00 0.00 H new ATOM 0 HB VAL A 104 8.936 6.190 -0.165 1.00 0.00 H new ATOM 0 HG11 VAL A 104 9.009 7.154 2.101 1.00 0.00 H new ATOM 0 HG12 VAL A 104 10.048 8.056 0.971 1.00 0.00 H new ATOM 0 HG13 VAL A 104 8.468 8.720 1.450 1.00 0.00 H new ATOM 0 HG21 VAL A 104 6.931 6.061 1.290 1.00 0.00 H new ATOM 0 HG22 VAL A 104 6.341 7.594 0.604 1.00 0.00 H new ATOM 0 HG23 VAL A 104 6.482 6.152 -0.430 1.00 0.00 H new ATOM 1607 N ILE A 105 6.571 7.454 -2.776 1.00 0.00 N ATOM 1608 CA ILE A 105 5.923 6.751 -3.873 1.00 0.00 C ATOM 1609 C ILE A 105 6.808 6.655 -5.117 1.00 0.00 C ATOM 1610 O ILE A 105 6.673 5.708 -5.888 1.00 0.00 O ATOM 1611 CB ILE A 105 4.606 7.479 -4.182 1.00 0.00 C ATOM 1612 CG1 ILE A 105 3.649 6.617 -5.008 1.00 0.00 C ATOM 1613 CG2 ILE A 105 4.870 8.789 -4.930 1.00 0.00 C ATOM 1614 CD1 ILE A 105 3.238 5.359 -4.244 1.00 0.00 C ATOM 0 H ILE A 105 5.987 8.172 -2.348 1.00 0.00 H new ATOM 0 HA ILE A 105 5.731 5.721 -3.573 1.00 0.00 H new ATOM 0 HB ILE A 105 4.136 7.690 -3.221 1.00 0.00 H new ATOM 0 HG12 ILE A 105 2.762 7.197 -5.263 1.00 0.00 H new ATOM 0 HG13 ILE A 105 4.127 6.336 -5.946 1.00 0.00 H new ATOM 0 HG21 ILE A 105 3.923 9.287 -5.138 1.00 0.00 H new ATOM 0 HG22 ILE A 105 5.494 9.439 -4.317 1.00 0.00 H new ATOM 0 HG23 ILE A 105 5.381 8.575 -5.869 1.00 0.00 H new ATOM 0 HD11 ILE A 105 2.558 4.767 -4.857 1.00 0.00 H new ATOM 0 HD12 ILE A 105 4.124 4.769 -4.012 1.00 0.00 H new ATOM 0 HD13 ILE A 105 2.738 5.643 -3.318 1.00 0.00 H new ATOM 1626 N GLN A 106 7.709 7.621 -5.320 1.00 0.00 N ATOM 1627 CA GLN A 106 8.577 7.634 -6.485 1.00 0.00 C ATOM 1628 C GLN A 106 9.431 6.367 -6.562 1.00 0.00 C ATOM 1629 O GLN A 106 9.349 5.635 -7.547 1.00 0.00 O ATOM 1630 CB GLN A 106 9.415 8.921 -6.498 1.00 0.00 C ATOM 1631 CG GLN A 106 10.217 9.149 -5.213 1.00 0.00 C ATOM 1632 CD GLN A 106 10.941 10.493 -5.221 1.00 0.00 C ATOM 1633 OE1 GLN A 106 10.914 11.228 -6.204 1.00 0.00 O ATOM 1634 NE2 GLN A 106 11.600 10.826 -4.116 1.00 0.00 N ATOM 0 H GLN A 106 7.851 8.406 -4.684 1.00 0.00 H new ATOM 0 HA GLN A 106 7.963 7.633 -7.386 1.00 0.00 H new ATOM 0 HB2 GLN A 106 10.102 8.887 -7.343 1.00 0.00 H new ATOM 0 HB3 GLN A 106 8.754 9.773 -6.659 1.00 0.00 H new ATOM 0 HG2 GLN A 106 9.547 9.103 -4.355 1.00 0.00 H new ATOM 0 HG3 GLN A 106 10.944 8.346 -5.092 1.00 0.00 H new ATOM 0 HE21 GLN A 106 11.604 10.195 -3.315 1.00 0.00 H new ATOM 0 HE22 GLN A 106 12.101 11.713 -4.069 1.00 0.00 H new ATOM 1643 N GLU A 107 10.246 6.101 -5.538 1.00 0.00 N ATOM 1644 CA GLU A 107 11.141 4.954 -5.545 1.00 0.00 C ATOM 1645 C GLU A 107 10.352 3.651 -5.399 1.00 0.00 C ATOM 1646 O GLU A 107 10.769 2.616 -5.918 1.00 0.00 O ATOM 1647 CB GLU A 107 12.208 5.115 -4.457 1.00 0.00 C ATOM 1648 CG GLU A 107 11.621 5.263 -3.053 1.00 0.00 C ATOM 1649 CD GLU A 107 12.729 5.405 -2.013 1.00 0.00 C ATOM 1650 OE1 GLU A 107 13.157 6.557 -1.775 1.00 0.00 O ATOM 1651 OE2 GLU A 107 13.143 4.362 -1.459 1.00 0.00 O ATOM 0 H GLU A 107 10.300 6.670 -4.693 1.00 0.00 H new ATOM 0 HA GLU A 107 11.656 4.904 -6.505 1.00 0.00 H new ATOM 0 HB2 GLU A 107 12.871 4.250 -4.477 1.00 0.00 H new ATOM 0 HB3 GLU A 107 12.818 5.990 -4.682 1.00 0.00 H new ATOM 0 HG2 GLU A 107 10.969 6.136 -3.017 1.00 0.00 H new ATOM 0 HG3 GLU A 107 11.005 4.395 -2.818 1.00 0.00 H new ATOM 1658 N LEU A 108 9.217 3.695 -4.696 1.00 0.00 N ATOM 1659 CA LEU A 108 8.388 2.516 -4.494 1.00 0.00 C ATOM 1660 C LEU A 108 7.855 2.003 -5.831 1.00 0.00 C ATOM 1661 O LEU A 108 8.059 0.835 -6.156 1.00 0.00 O ATOM 1662 CB LEU A 108 7.237 2.850 -3.541 1.00 0.00 C ATOM 1663 CG LEU A 108 7.559 2.487 -2.086 1.00 0.00 C ATOM 1664 CD1 LEU A 108 8.872 3.102 -1.601 1.00 0.00 C ATOM 1665 CD2 LEU A 108 6.430 2.995 -1.197 1.00 0.00 C ATOM 0 H LEU A 108 8.855 4.542 -4.257 1.00 0.00 H new ATOM 0 HA LEU A 108 8.993 1.727 -4.048 1.00 0.00 H new ATOM 0 HB2 LEU A 108 7.012 3.915 -3.606 1.00 0.00 H new ATOM 0 HB3 LEU A 108 6.341 2.315 -3.856 1.00 0.00 H new ATOM 0 HG LEU A 108 7.661 1.403 -2.032 1.00 0.00 H new ATOM 0 HD11 LEU A 108 9.049 2.812 -0.565 1.00 0.00 H new ATOM 0 HD12 LEU A 108 9.693 2.745 -2.223 1.00 0.00 H new ATOM 0 HD13 LEU A 108 8.812 4.188 -1.668 1.00 0.00 H new ATOM 0 HD21 LEU A 108 6.644 2.744 -0.158 1.00 0.00 H new ATOM 0 HD22 LEU A 108 6.345 4.077 -1.299 1.00 0.00 H new ATOM 0 HD23 LEU A 108 5.492 2.527 -1.497 1.00 0.00 H new ATOM 1677 N LEU A 109 7.179 2.852 -6.606 1.00 0.00 N ATOM 1678 CA LEU A 109 6.610 2.414 -7.873 1.00 0.00 C ATOM 1679 C LEU A 109 7.704 2.167 -8.906 1.00 0.00 C ATOM 1680 O LEU A 109 7.706 1.117 -9.543 1.00 0.00 O ATOM 1681 CB LEU A 109 5.591 3.426 -8.394 1.00 0.00 C ATOM 1682 CG LEU A 109 4.478 3.765 -7.398 1.00 0.00 C ATOM 1683 CD1 LEU A 109 3.497 4.747 -8.046 1.00 0.00 C ATOM 1684 CD2 LEU A 109 3.711 2.514 -6.981 1.00 0.00 C ATOM 0 H LEU A 109 7.015 3.833 -6.380 1.00 0.00 H new ATOM 0 HA LEU A 109 6.091 1.472 -7.698 1.00 0.00 H new ATOM 0 HB2 LEU A 109 6.113 4.344 -8.665 1.00 0.00 H new ATOM 0 HB3 LEU A 109 5.140 3.035 -9.306 1.00 0.00 H new ATOM 0 HG LEU A 109 4.938 4.207 -6.514 1.00 0.00 H new ATOM 0 HD11 LEU A 109 2.704 4.989 -7.338 1.00 0.00 H new ATOM 0 HD12 LEU A 109 4.026 5.659 -8.325 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.062 4.293 -8.936 1.00 0.00 H new ATOM 0 HD21 LEU A 109 2.928 2.786 -6.274 1.00 0.00 H new ATOM 0 HD22 LEU A 109 3.262 2.053 -7.860 1.00 0.00 H new ATOM 0 HD23 LEU A 109 4.395 1.808 -6.510 1.00 0.00 H new ATOM 1696 N SER A 110 8.632 3.111 -9.085 1.00 0.00 N ATOM 1697 CA SER A 110 9.722 2.917 -10.030 1.00 0.00 C ATOM 1698 C SER A 110 10.429 1.575 -9.834 1.00 0.00 C ATOM 1699 O SER A 110 10.575 0.832 -10.801 1.00 0.00 O ATOM 1700 CB SER A 110 10.734 4.058 -9.922 1.00 0.00 C ATOM 1701 OG SER A 110 11.231 4.167 -8.613 1.00 0.00 O ATOM 0 H SER A 110 8.647 4.004 -8.593 1.00 0.00 H new ATOM 0 HA SER A 110 9.281 2.915 -11.027 1.00 0.00 H new ATOM 0 HB2 SER A 110 11.558 3.885 -10.614 1.00 0.00 H new ATOM 0 HB3 SER A 110 10.263 4.996 -10.215 1.00 0.00 H new ATOM 0 HG SER A 110 10.601 4.680 -8.066 1.00 0.00 H new ATOM 1707 N ASP A 111 10.870 1.241 -8.614 1.00 0.00 N ATOM 1708 CA ASP A 111 11.587 -0.015 -8.423 1.00 0.00 C ATOM 1709 C ASP A 111 10.653 -1.217 -8.513 1.00 0.00 C ATOM 1710 O ASP A 111 11.019 -2.217 -9.120 1.00 0.00 O ATOM 1711 CB ASP A 111 12.331 -0.037 -7.089 1.00 0.00 C ATOM 1712 CG ASP A 111 13.486 0.963 -7.043 1.00 0.00 C ATOM 1713 OD1 ASP A 111 14.083 1.215 -8.114 1.00 0.00 O ATOM 1714 OD2 ASP A 111 13.763 1.469 -5.934 1.00 0.00 O ATOM 0 H ASP A 111 10.746 1.805 -7.773 1.00 0.00 H new ATOM 0 HA ASP A 111 12.316 -0.084 -9.230 1.00 0.00 H new ATOM 0 HB2 ASP A 111 11.631 0.185 -6.283 1.00 0.00 H new ATOM 0 HB3 ASP A 111 12.717 -1.040 -6.909 1.00 0.00 H new ATOM 1719 N ALA A 112 9.457 -1.143 -7.921 1.00 0.00 N ATOM 1720 CA ALA A 112 8.530 -2.264 -7.945 1.00 0.00 C ATOM 1721 C ALA A 112 8.201 -2.677 -9.374 1.00 0.00 C ATOM 1722 O ALA A 112 8.140 -3.868 -9.657 1.00 0.00 O ATOM 1723 CB ALA A 112 7.246 -1.880 -7.220 1.00 0.00 C ATOM 0 H ALA A 112 9.115 -0.321 -7.424 1.00 0.00 H new ATOM 0 HA ALA A 112 9.004 -3.108 -7.444 1.00 0.00 H new ATOM 0 HB1 ALA A 112 6.552 -2.721 -7.239 1.00 0.00 H new ATOM 0 HB2 ALA A 112 7.475 -1.622 -6.186 1.00 0.00 H new ATOM 0 HB3 ALA A 112 6.791 -1.023 -7.716 1.00 0.00 H new ATOM 1729 N ILE A 113 7.985 -1.726 -10.285 1.00 0.00 N ATOM 1730 CA ILE A 113 7.728 -2.088 -11.667 1.00 0.00 C ATOM 1731 C ILE A 113 9.023 -2.445 -12.392 1.00 0.00 C ATOM 1732 O ILE A 113 9.025 -3.329 -13.248 1.00 0.00 O ATOM 1733 CB ILE A 113 7.037 -0.946 -12.405 1.00 0.00 C ATOM 1734 CG1 ILE A 113 5.872 -0.353 -11.609 1.00 0.00 C ATOM 1735 CG2 ILE A 113 6.442 -1.522 -13.688 1.00 0.00 C ATOM 1736 CD1 ILE A 113 5.565 1.076 -12.034 1.00 0.00 C ATOM 0 H ILE A 113 7.984 -0.725 -10.091 1.00 0.00 H new ATOM 0 HA ILE A 113 7.075 -2.960 -11.659 1.00 0.00 H new ATOM 0 HB ILE A 113 7.776 -0.164 -12.578 1.00 0.00 H new ATOM 0 HG12 ILE A 113 4.985 -0.972 -11.747 1.00 0.00 H new ATOM 0 HG13 ILE A 113 6.111 -0.372 -10.546 1.00 0.00 H new ATOM 0 HG21 ILE A 113 5.938 -0.730 -14.243 1.00 0.00 H new ATOM 0 HG22 ILE A 113 7.238 -1.944 -14.301 1.00 0.00 H new ATOM 0 HG23 ILE A 113 5.724 -2.303 -13.437 1.00 0.00 H new ATOM 0 HD11 ILE A 113 4.732 1.460 -11.445 1.00 0.00 H new ATOM 0 HD12 ILE A 113 6.443 1.701 -11.871 1.00 0.00 H new ATOM 0 HD13 ILE A 113 5.300 1.092 -13.091 1.00 0.00 H new ATOM 1748 N ALA A 114 10.135 -1.772 -12.068 1.00 0.00 N ATOM 1749 CA ALA A 114 11.386 -2.047 -12.756 1.00 0.00 C ATOM 1750 C ALA A 114 11.884 -3.460 -12.450 1.00 0.00 C ATOM 1751 O ALA A 114 12.546 -4.077 -13.283 1.00 0.00 O ATOM 1752 CB ALA A 114 12.429 -1.001 -12.370 1.00 0.00 C ATOM 0 H ALA A 114 10.187 -1.050 -11.349 1.00 0.00 H new ATOM 0 HA ALA A 114 11.214 -1.989 -13.831 1.00 0.00 H new ATOM 0 HB1 ALA A 114 13.365 -1.212 -12.888 1.00 0.00 H new ATOM 0 HB2 ALA A 114 12.073 -0.010 -12.653 1.00 0.00 H new ATOM 0 HB3 ALA A 114 12.595 -1.033 -11.293 1.00 0.00 H new ATOM 1758 N LYS A 115 11.566 -3.970 -11.257 1.00 0.00 N ATOM 1759 CA LYS A 115 11.904 -5.330 -10.856 1.00 0.00 C ATOM 1760 C LYS A 115 10.915 -6.325 -11.467 1.00 0.00 C ATOM 1761 O LYS A 115 11.209 -7.513 -11.566 1.00 0.00 O ATOM 1762 CB LYS A 115 11.987 -5.389 -9.318 1.00 0.00 C ATOM 1763 CG LYS A 115 11.184 -6.512 -8.651 1.00 0.00 C ATOM 1764 CD LYS A 115 9.694 -6.166 -8.608 1.00 0.00 C ATOM 1765 CE LYS A 115 8.841 -7.408 -8.368 1.00 0.00 C ATOM 1766 NZ LYS A 115 7.404 -7.090 -8.385 1.00 0.00 N ATOM 0 H LYS A 115 11.064 -3.444 -10.541 1.00 0.00 H new ATOM 0 HA LYS A 115 12.882 -5.620 -11.240 1.00 0.00 H new ATOM 0 HB2 LYS A 115 13.034 -5.497 -9.033 1.00 0.00 H new ATOM 0 HB3 LYS A 115 11.644 -4.435 -8.917 1.00 0.00 H new ATOM 0 HG2 LYS A 115 11.330 -7.443 -9.198 1.00 0.00 H new ATOM 0 HG3 LYS A 115 11.553 -6.676 -7.639 1.00 0.00 H new ATOM 0 HD2 LYS A 115 9.511 -5.438 -7.817 1.00 0.00 H new ATOM 0 HD3 LYS A 115 9.401 -5.697 -9.547 1.00 0.00 H new ATOM 0 HE2 LYS A 115 9.058 -8.153 -9.133 1.00 0.00 H new ATOM 0 HE3 LYS A 115 9.105 -7.851 -7.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 6.853 -7.970 -8.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 7.174 -6.478 -7.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 7.168 -6.598 -9.270 1.00 0.00 H new ATOM 1780 N SER A 116 9.741 -5.837 -11.877 1.00 0.00 N ATOM 1781 CA SER A 116 8.651 -6.677 -12.347 1.00 0.00 C ATOM 1782 C SER A 116 8.840 -7.173 -13.777 1.00 0.00 C ATOM 1783 O SER A 116 9.555 -6.567 -14.575 1.00 0.00 O ATOM 1784 CB SER A 116 7.335 -5.906 -12.245 1.00 0.00 C ATOM 1785 OG SER A 116 6.955 -5.763 -10.894 1.00 0.00 O ATOM 0 H SER A 116 9.525 -4.840 -11.890 1.00 0.00 H new ATOM 0 HA SER A 116 8.636 -7.560 -11.708 1.00 0.00 H new ATOM 0 HB2 SER A 116 7.444 -4.924 -12.705 1.00 0.00 H new ATOM 0 HB3 SER A 116 6.554 -6.431 -12.796 1.00 0.00 H new ATOM 0 HG SER A 116 7.597 -5.183 -10.433 1.00 0.00 H new ATOM 1791 N ASN A 117 8.179 -8.294 -14.078 1.00 0.00 N ATOM 1792 CA ASN A 117 8.039 -8.821 -15.425 1.00 0.00 C ATOM 1793 C ASN A 117 6.784 -8.191 -16.033 1.00 0.00 C ATOM 1794 O ASN A 117 6.085 -7.450 -15.345 1.00 0.00 O ATOM 1795 CB ASN A 117 7.963 -10.347 -15.348 1.00 0.00 C ATOM 1796 CG ASN A 117 8.082 -11.027 -16.706 1.00 0.00 C ATOM 1797 OD1 ASN A 117 8.400 -10.396 -17.712 1.00 0.00 O ATOM 1798 ND2 ASN A 117 7.828 -12.332 -16.744 1.00 0.00 N ATOM 0 H ASN A 117 7.719 -8.868 -13.372 1.00 0.00 H new ATOM 0 HA ASN A 117 8.889 -8.576 -16.062 1.00 0.00 H new ATOM 0 HB2 ASN A 117 8.758 -10.711 -14.697 1.00 0.00 H new ATOM 0 HB3 ASN A 117 7.017 -10.634 -14.888 1.00 0.00 H new ATOM 0 HD21 ASN A 117 7.895 -12.839 -17.627 1.00 0.00 H new ATOM 0 HD22 ASN A 117 7.567 -12.826 -15.891 1.00 0.00 H new ATOM 1805 N GLN A 118 6.475 -8.464 -17.303 1.00 0.00 N ATOM 1806 CA GLN A 118 5.317 -7.864 -17.954 1.00 0.00 C ATOM 1807 C GLN A 118 4.026 -8.139 -17.168 1.00 0.00 C ATOM 1808 O GLN A 118 3.163 -7.269 -17.070 1.00 0.00 O ATOM 1809 CB GLN A 118 5.218 -8.407 -19.381 1.00 0.00 C ATOM 1810 CG GLN A 118 4.107 -7.701 -20.161 1.00 0.00 C ATOM 1811 CD GLN A 118 4.030 -8.187 -21.606 1.00 0.00 C ATOM 1812 OE1 GLN A 118 4.764 -9.080 -22.020 1.00 0.00 O ATOM 1813 NE2 GLN A 118 3.132 -7.597 -22.387 1.00 0.00 N ATOM 0 H GLN A 118 7.012 -9.096 -17.897 1.00 0.00 H new ATOM 0 HA GLN A 118 5.444 -6.782 -17.983 1.00 0.00 H new ATOM 0 HB2 GLN A 118 6.170 -8.270 -19.893 1.00 0.00 H new ATOM 0 HB3 GLN A 118 5.023 -9.479 -19.353 1.00 0.00 H new ATOM 0 HG2 GLN A 118 3.150 -7.874 -19.668 1.00 0.00 H new ATOM 0 HG3 GLN A 118 4.282 -6.625 -20.148 1.00 0.00 H new ATOM 0 HE21 GLN A 118 2.537 -6.858 -22.012 1.00 0.00 H new ATOM 0 HE22 GLN A 118 3.037 -7.883 -23.361 1.00 0.00 H new ATOM 1822 N ASP A 119 3.878 -9.340 -16.603 1.00 0.00 N ATOM 1823 CA ASP A 119 2.680 -9.675 -15.844 1.00 0.00 C ATOM 1824 C ASP A 119 2.589 -8.839 -14.565 1.00 0.00 C ATOM 1825 O ASP A 119 1.519 -8.336 -14.222 1.00 0.00 O ATOM 1826 CB ASP A 119 2.696 -11.169 -15.523 1.00 0.00 C ATOM 1827 CG ASP A 119 1.423 -11.590 -14.794 1.00 0.00 C ATOM 1828 OD1 ASP A 119 0.373 -11.668 -15.467 1.00 0.00 O ATOM 1829 OD2 ASP A 119 1.511 -11.833 -13.568 1.00 0.00 O ATOM 0 H ASP A 119 4.569 -10.088 -16.658 1.00 0.00 H new ATOM 0 HA ASP A 119 1.798 -9.445 -16.442 1.00 0.00 H new ATOM 0 HB2 ASP A 119 2.796 -11.741 -16.446 1.00 0.00 H new ATOM 0 HB3 ASP A 119 3.565 -11.402 -14.908 1.00 0.00 H new ATOM 1834 N HIS A 120 3.710 -8.687 -13.853 1.00 0.00 N ATOM 1835 CA HIS A 120 3.723 -7.921 -12.618 1.00 0.00 C ATOM 1836 C HIS A 120 3.608 -6.427 -12.909 1.00 0.00 C ATOM 1837 O HIS A 120 2.980 -5.705 -12.134 1.00 0.00 O ATOM 1838 CB HIS A 120 4.980 -8.248 -11.809 1.00 0.00 C ATOM 1839 CG HIS A 120 4.930 -9.573 -11.096 1.00 0.00 C ATOM 1840 ND1 HIS A 120 5.748 -9.931 -10.020 1.00 0.00 N ATOM 1841 CD2 HIS A 120 4.092 -10.613 -11.387 1.00 0.00 C ATOM 1842 CE1 HIS A 120 5.381 -11.182 -9.695 1.00 0.00 C ATOM 1843 NE2 HIS A 120 4.393 -11.616 -10.498 1.00 0.00 N ATOM 0 H HIS A 120 4.612 -9.085 -14.115 1.00 0.00 H new ATOM 0 HA HIS A 120 2.858 -8.200 -12.017 1.00 0.00 H new ATOM 0 HB2 HIS A 120 5.841 -8.241 -12.478 1.00 0.00 H new ATOM 0 HB3 HIS A 120 5.141 -7.459 -11.074 1.00 0.00 H new ATOM 0 HD2 HIS A 120 3.341 -10.641 -12.163 1.00 0.00 H new ATOM 0 HE1 HIS A 120 5.820 -11.761 -8.896 1.00 0.00 H new ATOM 0 HE2 HIS A 120 3.945 -12.531 -10.454 1.00 0.00 H new ATOM 1851 N LYS A 121 4.194 -5.936 -14.010 1.00 0.00 N ATOM 1852 CA LYS A 121 3.983 -4.550 -14.418 1.00 0.00 C ATOM 1853 C LYS A 121 2.500 -4.318 -14.644 1.00 0.00 C ATOM 1854 O LYS A 121 1.975 -3.278 -14.252 1.00 0.00 O ATOM 1855 CB LYS A 121 4.810 -4.204 -15.675 1.00 0.00 C ATOM 1856 CG LYS A 121 4.084 -3.274 -16.667 1.00 0.00 C ATOM 1857 CD LYS A 121 3.339 -4.062 -17.750 1.00 0.00 C ATOM 1858 CE LYS A 121 2.195 -3.251 -18.364 1.00 0.00 C ATOM 1859 NZ LYS A 121 2.691 -2.107 -19.150 1.00 0.00 N ATOM 0 H LYS A 121 4.808 -6.473 -14.623 1.00 0.00 H new ATOM 0 HA LYS A 121 4.327 -3.886 -13.625 1.00 0.00 H new ATOM 0 HB2 LYS A 121 5.742 -3.731 -15.365 1.00 0.00 H new ATOM 0 HB3 LYS A 121 5.076 -5.128 -16.188 1.00 0.00 H new ATOM 0 HG2 LYS A 121 3.377 -2.646 -16.125 1.00 0.00 H new ATOM 0 HG3 LYS A 121 4.808 -2.608 -17.136 1.00 0.00 H new ATOM 0 HD2 LYS A 121 4.039 -4.352 -18.534 1.00 0.00 H new ATOM 0 HD3 LYS A 121 2.942 -4.982 -17.321 1.00 0.00 H new ATOM 0 HE2 LYS A 121 1.594 -3.898 -19.004 1.00 0.00 H new ATOM 0 HE3 LYS A 121 1.540 -2.890 -17.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 1.885 -1.584 -19.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 3.243 -1.476 -18.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 3.295 -2.453 -19.923 1.00 0.00 H new ATOM 1873 N GLU A 122 1.819 -5.275 -15.271 1.00 0.00 N ATOM 1874 CA GLU A 122 0.411 -5.109 -15.555 1.00 0.00 C ATOM 1875 C GLU A 122 -0.389 -5.078 -14.256 1.00 0.00 C ATOM 1876 O GLU A 122 -1.333 -4.301 -14.138 1.00 0.00 O ATOM 1877 CB GLU A 122 -0.037 -6.227 -16.490 1.00 0.00 C ATOM 1878 CG GLU A 122 -1.499 -5.991 -16.851 1.00 0.00 C ATOM 1879 CD GLU A 122 -2.004 -7.043 -17.830 1.00 0.00 C ATOM 1880 OE1 GLU A 122 -1.774 -6.856 -19.046 1.00 0.00 O ATOM 1881 OE2 GLU A 122 -2.616 -8.025 -17.357 1.00 0.00 O ATOM 0 H GLU A 122 2.220 -6.159 -15.585 1.00 0.00 H new ATOM 0 HA GLU A 122 0.232 -4.157 -16.055 1.00 0.00 H new ATOM 0 HB2 GLU A 122 0.579 -6.240 -17.389 1.00 0.00 H new ATOM 0 HB3 GLU A 122 0.083 -7.197 -16.007 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -2.107 -6.011 -15.947 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -1.612 -4.999 -17.289 1.00 0.00 H new ATOM 1888 N LYS A 123 -0.017 -5.916 -13.283 1.00 0.00 N ATOM 1889 CA LYS A 123 -0.663 -5.881 -11.980 1.00 0.00 C ATOM 1890 C LYS A 123 -0.458 -4.527 -11.297 1.00 0.00 C ATOM 1891 O LYS A 123 -1.389 -4.018 -10.675 1.00 0.00 O ATOM 1892 CB LYS A 123 -0.129 -7.008 -11.089 1.00 0.00 C ATOM 1893 CG LYS A 123 -0.665 -8.359 -11.569 1.00 0.00 C ATOM 1894 CD LYS A 123 -0.142 -9.527 -10.728 1.00 0.00 C ATOM 1895 CE LYS A 123 -0.618 -9.450 -9.273 1.00 0.00 C ATOM 1896 NZ LYS A 123 -0.360 -10.721 -8.567 1.00 0.00 N ATOM 0 H LYS A 123 0.719 -6.616 -13.377 1.00 0.00 H new ATOM 0 HA LYS A 123 -1.733 -6.026 -12.132 1.00 0.00 H new ATOM 0 HB2 LYS A 123 0.961 -7.013 -11.110 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -0.428 -6.837 -10.055 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -1.754 -8.348 -11.533 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -0.382 -8.510 -12.611 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -0.474 -10.467 -11.168 1.00 0.00 H new ATOM 0 HD3 LYS A 123 0.948 -9.531 -10.753 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -0.107 -8.635 -8.761 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -1.684 -9.224 -9.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -0.580 -10.608 -7.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -0.959 -11.470 -8.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 0.641 -10.982 -8.676 1.00 0.00 H new ATOM 1910 N ILE A 124 0.737 -3.935 -11.402 1.00 0.00 N ATOM 1911 CA ILE A 124 0.990 -2.652 -10.760 1.00 0.00 C ATOM 1912 C ILE A 124 0.272 -1.544 -11.524 1.00 0.00 C ATOM 1913 O ILE A 124 -0.205 -0.585 -10.922 1.00 0.00 O ATOM 1914 CB ILE A 124 2.500 -2.413 -10.661 1.00 0.00 C ATOM 1915 CG1 ILE A 124 3.121 -3.484 -9.757 1.00 0.00 C ATOM 1916 CG2 ILE A 124 2.779 -1.021 -10.081 1.00 0.00 C ATOM 1917 CD1 ILE A 124 4.646 -3.462 -9.834 1.00 0.00 C ATOM 0 H ILE A 124 1.528 -4.320 -11.917 1.00 0.00 H new ATOM 0 HA ILE A 124 0.595 -2.654 -9.744 1.00 0.00 H new ATOM 0 HB ILE A 124 2.939 -2.471 -11.657 1.00 0.00 H new ATOM 0 HG12 ILE A 124 2.805 -3.321 -8.727 1.00 0.00 H new ATOM 0 HG13 ILE A 124 2.754 -4.468 -10.051 1.00 0.00 H new ATOM 0 HG21 ILE A 124 3.856 -0.863 -10.016 1.00 0.00 H new ATOM 0 HG22 ILE A 124 2.340 -0.262 -10.729 1.00 0.00 H new ATOM 0 HG23 ILE A 124 2.340 -0.947 -9.086 1.00 0.00 H new ATOM 0 HD11 ILE A 124 5.054 -4.234 -9.181 1.00 0.00 H new ATOM 0 HD12 ILE A 124 4.961 -3.651 -10.860 1.00 0.00 H new ATOM 0 HD13 ILE A 124 5.012 -2.486 -9.516 1.00 0.00 H new ATOM 1929 N ARG A 125 0.188 -1.665 -12.853 1.00 0.00 N ATOM 1930 CA ARG A 125 -0.519 -0.694 -13.672 1.00 0.00 C ATOM 1931 C ARG A 125 -2.015 -0.733 -13.376 1.00 0.00 C ATOM 1932 O ARG A 125 -2.655 0.314 -13.330 1.00 0.00 O ATOM 1933 CB ARG A 125 -0.241 -0.977 -15.152 1.00 0.00 C ATOM 1934 CG ARG A 125 -1.003 -0.018 -16.073 1.00 0.00 C ATOM 1935 CD ARG A 125 -0.662 1.441 -15.781 1.00 0.00 C ATOM 1936 NE ARG A 125 -1.392 2.340 -16.681 1.00 0.00 N ATOM 1937 CZ ARG A 125 -1.546 3.650 -16.471 1.00 0.00 C ATOM 1938 NH1 ARG A 125 -1.025 4.233 -15.394 1.00 0.00 N ATOM 1939 NH2 ARG A 125 -2.229 4.387 -17.346 1.00 0.00 N ATOM 0 H ARG A 125 0.605 -2.432 -13.380 1.00 0.00 H new ATOM 0 HA ARG A 125 -0.162 0.308 -13.434 1.00 0.00 H new ATOM 0 HB2 ARG A 125 0.829 -0.890 -15.343 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -0.524 -2.004 -15.384 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -0.765 -0.246 -17.112 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -2.075 -0.172 -15.951 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -0.910 1.676 -14.746 1.00 0.00 H new ATOM 0 HD3 ARG A 125 0.411 1.598 -15.895 1.00 0.00 H new ATOM 0 HE ARG A 125 -1.809 1.939 -17.521 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -0.501 3.678 -14.717 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -1.150 5.234 -15.245 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -2.633 3.951 -18.175 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -2.348 5.388 -17.187 1.00 0.00 H new ATOM 1953 N MET A 126 -2.576 -1.927 -13.173 1.00 0.00 N ATOM 1954 CA MET A 126 -3.976 -2.074 -12.809 1.00 0.00 C ATOM 1955 C MET A 126 -4.224 -1.442 -11.442 1.00 0.00 C ATOM 1956 O MET A 126 -5.188 -0.703 -11.255 1.00 0.00 O ATOM 1957 CB MET A 126 -4.319 -3.567 -12.791 1.00 0.00 C ATOM 1958 CG MET A 126 -5.744 -3.805 -12.286 1.00 0.00 C ATOM 1959 SD MET A 126 -6.211 -5.554 -12.227 1.00 0.00 S ATOM 1960 CE MET A 126 -7.818 -5.395 -11.414 1.00 0.00 C ATOM 0 H MET A 126 -2.072 -2.810 -13.257 1.00 0.00 H new ATOM 0 HA MET A 126 -4.612 -1.567 -13.534 1.00 0.00 H new ATOM 0 HB2 MET A 126 -4.213 -3.979 -13.795 1.00 0.00 H new ATOM 0 HB3 MET A 126 -3.612 -4.097 -12.153 1.00 0.00 H new ATOM 0 HG2 MET A 126 -5.843 -3.378 -11.288 1.00 0.00 H new ATOM 0 HG3 MET A 126 -6.443 -3.273 -12.931 1.00 0.00 H new ATOM 0 HE1 MET A 126 -8.263 -6.382 -11.291 1.00 0.00 H new ATOM 0 HE2 MET A 126 -7.687 -4.932 -10.436 1.00 0.00 H new ATOM 0 HE3 MET A 126 -8.475 -4.775 -12.024 1.00 0.00 H new ATOM 1970 N LEU A 127 -3.343 -1.740 -10.482 1.00 0.00 N ATOM 1971 CA LEU A 127 -3.430 -1.203 -9.137 1.00 0.00 C ATOM 1972 C LEU A 127 -3.457 0.325 -9.167 1.00 0.00 C ATOM 1973 O LEU A 127 -4.291 0.944 -8.508 1.00 0.00 O ATOM 1974 CB LEU A 127 -2.239 -1.764 -8.349 1.00 0.00 C ATOM 1975 CG LEU A 127 -2.194 -1.381 -6.866 1.00 0.00 C ATOM 1976 CD1 LEU A 127 -1.257 -2.361 -6.166 1.00 0.00 C ATOM 1977 CD2 LEU A 127 -1.642 0.031 -6.647 1.00 0.00 C ATOM 0 H LEU A 127 -2.549 -2.364 -10.625 1.00 0.00 H new ATOM 0 HA LEU A 127 -4.357 -1.502 -8.647 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -2.254 -2.851 -8.426 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -1.318 -1.423 -8.823 1.00 0.00 H new ATOM 0 HG LEU A 127 -3.210 -1.413 -6.472 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -1.201 -2.117 -5.105 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -1.637 -3.376 -6.285 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -0.263 -2.292 -6.607 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -1.630 0.256 -5.580 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -0.628 0.090 -7.042 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -2.275 0.753 -7.163 1.00 0.00 H new ATOM 1989 N LEU A 128 -2.548 0.940 -9.931 1.00 0.00 N ATOM 1990 CA LEU A 128 -2.444 2.387 -9.997 1.00 0.00 C ATOM 1991 C LEU A 128 -3.555 3.010 -10.835 1.00 0.00 C ATOM 1992 O LEU A 128 -3.966 4.136 -10.558 1.00 0.00 O ATOM 1993 CB LEU A 128 -1.078 2.764 -10.571 1.00 0.00 C ATOM 1994 CG LEU A 128 0.062 2.347 -9.642 1.00 0.00 C ATOM 1995 CD1 LEU A 128 1.378 2.557 -10.381 1.00 0.00 C ATOM 1996 CD2 LEU A 128 0.076 3.185 -8.365 1.00 0.00 C ATOM 0 H LEU A 128 -1.872 0.446 -10.514 1.00 0.00 H new ATOM 0 HA LEU A 128 -2.551 2.779 -8.986 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -0.948 2.288 -11.543 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -1.037 3.841 -10.736 1.00 0.00 H new ATOM 0 HG LEU A 128 -0.076 1.303 -9.363 1.00 0.00 H new ATOM 0 HD11 LEU A 128 2.208 2.266 -9.737 1.00 0.00 H new ATOM 0 HD12 LEU A 128 1.389 1.948 -11.285 1.00 0.00 H new ATOM 0 HD13 LEU A 128 1.480 3.608 -10.651 1.00 0.00 H new ATOM 0 HD21 LEU A 128 0.899 2.862 -7.727 1.00 0.00 H new ATOM 0 HD22 LEU A 128 0.206 4.236 -8.621 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -0.867 3.055 -7.834 1.00 0.00 H new ATOM 2008 N ASP A 129 -4.053 2.306 -11.855 1.00 0.00 N ATOM 2009 CA ASP A 129 -5.143 2.826 -12.658 1.00 0.00 C ATOM 2010 C ASP A 129 -6.399 2.937 -11.798 1.00 0.00 C ATOM 2011 O ASP A 129 -7.131 3.920 -11.881 1.00 0.00 O ATOM 2012 CB ASP A 129 -5.374 1.914 -13.862 1.00 0.00 C ATOM 2013 CG ASP A 129 -6.502 2.441 -14.745 1.00 0.00 C ATOM 2014 OD1 ASP A 129 -6.280 3.480 -15.406 1.00 0.00 O ATOM 2015 OD2 ASP A 129 -7.577 1.801 -14.751 1.00 0.00 O ATOM 0 H ASP A 129 -3.717 1.385 -12.136 1.00 0.00 H new ATOM 0 HA ASP A 129 -4.892 3.820 -13.029 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -4.457 1.839 -14.446 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -5.617 0.908 -13.519 1.00 0.00 H new ATOM 2512 N PRO B 160 -7.222 -14.998 1.853 1.00 0.00 N ATOM 2513 CA PRO B 160 -8.345 -15.054 0.931 1.00 0.00 C ATOM 2514 C PRO B 160 -8.070 -14.181 -0.290 1.00 0.00 C ATOM 2515 O PRO B 160 -7.106 -13.419 -0.305 1.00 0.00 O ATOM 2516 CB PRO B 160 -9.539 -14.514 1.725 1.00 0.00 C ATOM 2517 CG PRO B 160 -8.879 -13.521 2.683 1.00 0.00 C ATOM 2518 CD PRO B 160 -7.578 -14.235 3.032 1.00 0.00 C ATOM 0 HA PRO B 160 -8.527 -16.063 0.562 1.00 0.00 H new ATOM 0 HB2 PRO B 160 -10.270 -14.029 1.078 1.00 0.00 H new ATOM 0 HB3 PRO B 160 -10.063 -15.307 2.260 1.00 0.00 H new ATOM 0 HG2 PRO B 160 -8.700 -12.555 2.210 1.00 0.00 H new ATOM 0 HG3 PRO B 160 -9.492 -13.336 3.565 1.00 0.00 H new ATOM 0 HD2 PRO B 160 -6.795 -13.521 3.287 1.00 0.00 H new ATOM 0 HD3 PRO B 160 -7.708 -14.887 3.896 1.00 0.00 H new ATOM 2526 N SER B 161 -8.913 -14.288 -1.320 1.00 0.00 N ATOM 2527 CA SER B 161 -8.733 -13.507 -2.531 1.00 0.00 C ATOM 2528 C SER B 161 -8.945 -12.024 -2.239 1.00 0.00 C ATOM 2529 O SER B 161 -9.867 -11.657 -1.509 1.00 0.00 O ATOM 2530 CB SER B 161 -9.696 -13.997 -3.614 1.00 0.00 C ATOM 2531 OG SER B 161 -9.447 -13.306 -4.821 1.00 0.00 O ATOM 0 H SER B 161 -9.723 -14.908 -1.333 1.00 0.00 H new ATOM 0 HA SER B 161 -7.713 -13.637 -2.894 1.00 0.00 H new ATOM 0 HB2 SER B 161 -9.573 -15.069 -3.766 1.00 0.00 H new ATOM 0 HB3 SER B 161 -10.727 -13.836 -3.298 1.00 0.00 H new ATOM 0 HG SER B 161 -10.064 -13.623 -5.513 1.00 0.00 H new ATOM 2537 N TYR B 162 -8.087 -11.171 -2.809 1.00 0.00 N ATOM 2538 CA TYR B 162 -8.171 -9.732 -2.629 1.00 0.00 C ATOM 2539 C TYR B 162 -7.722 -8.985 -3.884 1.00 0.00 C ATOM 2540 O TYR B 162 -6.766 -9.386 -4.551 1.00 0.00 O ATOM 2541 CB TYR B 162 -7.317 -9.301 -1.438 1.00 0.00 C ATOM 2542 CG TYR B 162 -7.235 -7.797 -1.346 1.00 0.00 C ATOM 2543 CD1 TYR B 162 -8.260 -7.075 -0.716 1.00 0.00 C ATOM 2544 CD2 TYR B 162 -6.135 -7.126 -1.903 1.00 0.00 C ATOM 2545 CE1 TYR B 162 -8.211 -5.674 -0.689 1.00 0.00 C ATOM 2546 CE2 TYR B 162 -6.080 -5.728 -1.875 1.00 0.00 C ATOM 2547 CZ TYR B 162 -7.129 -4.998 -1.284 1.00 0.00 C ATOM 2548 OH TYR B 162 -7.093 -3.637 -1.289 1.00 0.00 O ATOM 0 H TYR B 162 -7.316 -11.467 -3.408 1.00 0.00 H new ATOM 0 HA TYR B 162 -9.214 -9.480 -2.439 1.00 0.00 H new ATOM 0 HB2 TYR B 162 -7.741 -9.702 -0.518 1.00 0.00 H new ATOM 0 HB3 TYR B 162 -6.315 -9.718 -1.535 1.00 0.00 H new ATOM 0 HD1 TYR B 162 -9.084 -7.597 -0.253 1.00 0.00 H new ATOM 0 HD2 TYR B 162 -5.331 -7.689 -2.353 1.00 0.00 H new ATOM 0 HE1 TYR B 162 -9.002 -5.114 -0.212 1.00 0.00 H new ATOM 0 HE2 TYR B 162 -5.235 -5.210 -2.305 1.00 0.00 H new ATOM 0 HH TYR B 162 -6.347 -3.332 -1.847 1.00 0.00 H new ATOM 2558 N SER B 163 -8.423 -7.890 -4.197 1.00 0.00 N ATOM 2559 CA SER B 163 -8.194 -7.103 -5.400 1.00 0.00 C ATOM 2560 C SER B 163 -8.152 -5.608 -5.080 1.00 0.00 C ATOM 2561 O SER B 163 -8.863 -5.136 -4.190 1.00 0.00 O ATOM 2562 CB SER B 163 -9.321 -7.390 -6.396 1.00 0.00 C ATOM 2563 OG SER B 163 -9.273 -6.461 -7.459 1.00 0.00 O ATOM 0 H SER B 163 -9.174 -7.526 -3.610 1.00 0.00 H new ATOM 0 HA SER B 163 -7.231 -7.380 -5.828 1.00 0.00 H new ATOM 0 HB2 SER B 163 -9.226 -8.404 -6.784 1.00 0.00 H new ATOM 0 HB3 SER B 163 -10.286 -7.330 -5.893 1.00 0.00 H new ATOM 0 HG SER B 163 -10.126 -5.982 -7.513 1.00 0.00 H new ATOM 2569 N PRO B 164 -7.317 -4.847 -5.802 1.00 0.00 N ATOM 2570 CA PRO B 164 -7.206 -3.406 -5.644 1.00 0.00 C ATOM 2571 C PRO B 164 -8.494 -2.698 -6.071 1.00 0.00 C ATOM 2572 O PRO B 164 -8.557 -1.470 -6.034 1.00 0.00 O ATOM 2573 CB PRO B 164 -6.021 -2.994 -6.516 1.00 0.00 C ATOM 2574 CG PRO B 164 -5.997 -4.067 -7.603 1.00 0.00 C ATOM 2575 CD PRO B 164 -6.409 -5.317 -6.832 1.00 0.00 C ATOM 0 HA PRO B 164 -7.051 -3.125 -4.602 1.00 0.00 H new ATOM 0 HB2 PRO B 164 -6.158 -1.998 -6.937 1.00 0.00 H new ATOM 0 HB3 PRO B 164 -5.091 -2.975 -5.948 1.00 0.00 H new ATOM 0 HG2 PRO B 164 -6.691 -3.841 -8.413 1.00 0.00 H new ATOM 0 HG3 PRO B 164 -5.008 -4.172 -8.050 1.00 0.00 H new ATOM 0 HD2 PRO B 164 -6.896 -6.040 -7.486 1.00 0.00 H new ATOM 0 HD3 PRO B 164 -5.542 -5.814 -6.396 1.00 0.00 H new ATOM 2583 N THR B 165 -9.523 -3.452 -6.475 1.00 0.00 N ATOM 2584 CA THR B 165 -10.812 -2.876 -6.832 1.00 0.00 C ATOM 2585 C THR B 165 -11.576 -2.376 -5.605 1.00 0.00 C ATOM 2586 O THR B 165 -12.372 -1.446 -5.742 1.00 0.00 O ATOM 2587 CB THR B 165 -11.648 -3.903 -7.604 1.00 0.00 C ATOM 2588 OG1 THR B 165 -11.665 -5.127 -6.901 1.00 0.00 O ATOM 2589 CG2 THR B 165 -11.058 -4.129 -8.995 1.00 0.00 C ATOM 0 H THR B 165 -9.481 -4.467 -6.561 1.00 0.00 H new ATOM 0 HA THR B 165 -10.625 -2.011 -7.469 1.00 0.00 H new ATOM 0 HB THR B 165 -12.664 -3.522 -7.705 1.00 0.00 H new ATOM 0 HG1 THR B 165 -12.201 -5.781 -7.396 1.00 0.00 H new ATOM 0 HG21 THR B 165 -11.662 -4.861 -9.532 1.00 0.00 H new ATOM 0 HG22 THR B 165 -11.053 -3.188 -9.546 1.00 0.00 H new ATOM 0 HG23 THR B 165 -10.037 -4.500 -8.901 1.00 0.00 H new