USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 852 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 98 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 102 GLN : amide:sc=-0.00491 X(o=-0.0049,f=-0.016) USER MOD Set 2.1: A 77 CYS SG : rot 71:sc= 2.13 USER MOD Set 2.2: A 100 TYR OH : rot 112:sc= 1.23 USER MOD Set 3.1: A 20 TYR OH : rot -160:sc= -3.41! USER MOD Set 3.2: A 43 HIS : no HD1:sc= -6.3! C(o=-9.7!,f=-23!) USER MOD Set 4.1: A 39 CYS SG : rot 86:sc= -3.51! USER MOD Set 4.2: A 63 ASN : amide:sc= -8.61! C(o=-12!,f=-22!) USER MOD Set 5.1: A 27 ASN : amide:sc= 0.668! C(o=2.2!,f=-9!) USER MOD Set 5.2: A 29 SER OG : rot -77:sc= 1.52 USER MOD Set 5.3: A 30 SER OG : rot 180:sc= 0 USER MOD Set 6.1: A 22 HIS : no HE2:sc= -0.968! C(o=-1.5!,f=-8.1!) USER MOD Set 6.2: A 36 MET CE :methyl 167:sc= 0 (180deg=0) USER MOD Set 6.3: A 52 TYR OH : rot -130:sc= -0.502 USER MOD Set 7.1: A 8 MET CE :methyl -178:sc= 0 (180deg=-0.0089) USER MOD Set 7.2: A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -0.458! X(o=-0.46!,f=-0.047) USER MOD Single : A 13 CYS SG : rot 12:sc= 1.72 USER MOD Single : A 16 MET CE :methyl 179:sc= -0.267 (180deg=-0.267) USER MOD Single : A 17 THR OG1 : rot 51:sc= -1.12 USER MOD Single : A 19 ASN :FLIP amide:sc= -0.0227 F(o=-0.8,f=-0.023) USER MOD Single : A 26 GLN : amide:sc= 0.0938 K(o=0.094,f=-1.3!) USER MOD Single : A 31 SER OG : rot -90:sc= 0.121 USER MOD Single : A 33 SER OG : rot 97:sc= 0.659 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -152:sc= -0.192 (180deg=-1.16!) USER MOD Single : A 59 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0084) USER MOD Single : A 62 HIS :FLIP no HD1:sc= -1.93! C(o=-4!,f=-1.9!) USER MOD Single : A 65 THR OG1 : rot 82:sc= -1.4! USER MOD Single : A 69 SER OG : rot -179:sc= 0 USER MOD Single : A 70 THR OG1 : rot 95:sc= 1.2 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN :FLIP amide:sc= 0 F(o=-0.5,f=0) USER MOD Single : A 86 MET CE :methyl -149:sc= -0.425 (180deg=-0.675) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 162:sc= -0.0349 (180deg=-0.376) USER MOD Single : A 96 CYS SG : rot 180:sc= -0.109 USER MOD Single : A 99 THR OG1 : rot 87:sc= 0.641 USER MOD Single : A 107 SER OG : rot 180:sc= -0.326 USER MOD Single : A 110 GLN : amide:sc= -0.0372 X(o=-0.037,f=-0.32) USER MOD Single : A 111 LYS NZ :NH3+ -165:sc= -0.0468 (180deg=-0.349) USER MOD ----------------------------------------------------------------- ATOM 83 N ASN A 7 3.144 12.772 5.202 1.00 0.00 N ATOM 84 CA ASN A 7 3.016 13.540 3.975 1.00 0.00 C ATOM 85 C ASN A 7 3.938 12.969 2.902 1.00 0.00 C ATOM 86 O ASN A 7 3.565 12.862 1.735 1.00 0.00 O ATOM 87 CB ASN A 7 3.373 15.011 4.240 1.00 0.00 C ATOM 88 CG ASN A 7 2.705 15.909 3.205 1.00 0.00 C ATOM 89 OD1 ASN A 7 2.281 17.018 3.528 1.00 0.00 O ATOM 90 ND2 ASN A 7 2.578 15.490 1.976 1.00 0.00 N ATOM 0 HA ASN A 7 1.985 13.479 3.626 1.00 0.00 H new ATOM 0 HB2 ASN A 7 3.051 15.296 5.242 1.00 0.00 H new ATOM 0 HB3 ASN A 7 4.454 15.143 4.203 1.00 0.00 H new ATOM 0 HD21 ASN A 7 2.126 16.082 1.279 1.00 0.00 H new ATOM 0 HD22 ASN A 7 2.931 14.570 1.712 1.00 0.00 H new ATOM 97 N MET A 8 5.147 12.611 3.316 1.00 0.00 N ATOM 98 CA MET A 8 6.130 12.056 2.397 1.00 0.00 C ATOM 99 C MET A 8 5.600 10.774 1.764 1.00 0.00 C ATOM 100 O MET A 8 5.629 10.609 0.544 1.00 0.00 O ATOM 101 CB MET A 8 7.421 11.750 3.169 1.00 0.00 C ATOM 102 CG MET A 8 8.524 11.301 2.205 1.00 0.00 C ATOM 103 SD MET A 8 8.303 9.551 1.793 1.00 0.00 S ATOM 104 CE MET A 8 8.909 9.649 0.090 1.00 0.00 C ATOM 0 H MET A 8 5.469 12.695 4.280 1.00 0.00 H new ATOM 0 HA MET A 8 6.330 12.780 1.607 1.00 0.00 H new ATOM 0 HB2 MET A 8 7.745 12.636 3.715 1.00 0.00 H new ATOM 0 HB3 MET A 8 7.235 10.970 3.908 1.00 0.00 H new ATOM 0 HG2 MET A 8 8.495 11.904 1.298 1.00 0.00 H new ATOM 0 HG3 MET A 8 9.502 11.456 2.659 1.00 0.00 H new ATOM 0 HE1 MET A 8 8.829 8.669 -0.381 1.00 0.00 H new ATOM 0 HE2 MET A 8 8.311 10.370 -0.468 1.00 0.00 H new ATOM 0 HE3 MET A 8 9.952 9.967 0.093 1.00 0.00 H new ATOM 114 N LEU A 9 5.100 9.877 2.605 1.00 0.00 N ATOM 115 CA LEU A 9 4.549 8.618 2.147 1.00 0.00 C ATOM 116 C LEU A 9 3.284 8.851 1.342 1.00 0.00 C ATOM 117 O LEU A 9 3.047 8.198 0.326 1.00 0.00 O ATOM 118 CB LEU A 9 4.221 7.744 3.351 1.00 0.00 C ATOM 119 CG LEU A 9 5.506 7.295 4.035 1.00 0.00 C ATOM 120 CD1 LEU A 9 5.152 6.604 5.351 1.00 0.00 C ATOM 121 CD2 LEU A 9 6.297 6.326 3.129 1.00 0.00 C ATOM 0 H LEU A 9 5.067 10.005 3.616 1.00 0.00 H new ATOM 0 HA LEU A 9 5.285 8.124 1.513 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.599 8.298 4.054 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.645 6.875 3.033 1.00 0.00 H new ATOM 0 HG LEU A 9 6.131 8.167 4.229 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.066 6.279 5.848 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.616 7.301 5.995 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.521 5.738 5.149 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.211 6.018 3.637 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.687 5.448 2.915 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.552 6.827 2.195 1.00 0.00 H new ATOM 133 N LEU A 10 2.465 9.781 1.822 1.00 0.00 N ATOM 134 CA LEU A 10 1.208 10.087 1.149 1.00 0.00 C ATOM 135 C LEU A 10 1.492 10.606 -0.254 1.00 0.00 C ATOM 136 O LEU A 10 0.908 10.144 -1.234 1.00 0.00 O ATOM 137 CB LEU A 10 0.419 11.130 1.967 1.00 0.00 C ATOM 138 CG LEU A 10 -0.890 11.508 1.254 1.00 0.00 C ATOM 139 CD1 LEU A 10 -1.747 10.254 1.035 1.00 0.00 C ATOM 140 CD2 LEU A 10 -1.667 12.530 2.105 1.00 0.00 C ATOM 0 H LEU A 10 2.645 10.329 2.663 1.00 0.00 H new ATOM 0 HA LEU A 10 0.606 9.182 1.070 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.197 10.730 2.956 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.029 12.021 2.113 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.655 11.951 0.286 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.673 10.530 0.530 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.197 9.540 0.422 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.981 9.800 1.998 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.594 12.796 1.597 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.898 12.094 3.077 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.060 13.424 2.244 1.00 0.00 H new ATOM 152 N GLU A 11 2.411 11.555 -0.340 1.00 0.00 N ATOM 153 CA GLU A 11 2.797 12.135 -1.618 1.00 0.00 C ATOM 154 C GLU A 11 3.255 11.047 -2.570 1.00 0.00 C ATOM 155 O GLU A 11 2.839 10.956 -3.726 1.00 0.00 O ATOM 156 CB GLU A 11 3.965 13.083 -1.367 1.00 0.00 C ATOM 157 CG GLU A 11 4.130 14.030 -2.550 1.00 0.00 C ATOM 158 CD GLU A 11 4.647 13.264 -3.762 1.00 0.00 C ATOM 159 OE1 GLU A 11 5.350 12.285 -3.567 1.00 0.00 O ATOM 160 OE2 GLU A 11 4.330 13.666 -4.869 1.00 0.00 O ATOM 0 H GLU A 11 2.906 11.942 0.464 1.00 0.00 H new ATOM 0 HA GLU A 11 1.947 12.658 -2.057 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.791 13.654 -0.455 1.00 0.00 H new ATOM 0 HB3 GLU A 11 4.882 12.513 -1.216 1.00 0.00 H new ATOM 0 HG2 GLU A 11 3.175 14.500 -2.786 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.824 14.830 -2.292 1.00 0.00 H new ATOM 167 N TRP A 12 4.140 10.250 -2.024 1.00 0.00 N ATOM 168 CA TRP A 12 4.764 9.137 -2.702 1.00 0.00 C ATOM 169 C TRP A 12 3.728 8.112 -3.164 1.00 0.00 C ATOM 170 O TRP A 12 3.601 7.851 -4.357 1.00 0.00 O ATOM 171 CB TRP A 12 5.700 8.561 -1.650 1.00 0.00 C ATOM 172 CG TRP A 12 6.480 7.388 -2.113 1.00 0.00 C ATOM 173 CD1 TRP A 12 7.594 7.425 -2.873 1.00 0.00 C ATOM 174 CD2 TRP A 12 6.259 6.004 -1.766 1.00 0.00 C ATOM 175 NE1 TRP A 12 8.067 6.132 -3.024 1.00 0.00 N ATOM 176 CE2 TRP A 12 7.269 5.218 -2.360 1.00 0.00 C ATOM 177 CE3 TRP A 12 5.274 5.372 -1.004 1.00 0.00 C ATOM 178 CZ2 TRP A 12 7.303 3.833 -2.192 1.00 0.00 C ATOM 179 CZ3 TRP A 12 5.298 3.979 -0.831 1.00 0.00 C ATOM 180 CH2 TRP A 12 6.313 3.211 -1.423 1.00 0.00 C ATOM 0 H TRP A 12 4.458 10.361 -1.061 1.00 0.00 H new ATOM 0 HA TRP A 12 5.288 9.432 -3.611 1.00 0.00 H new ATOM 0 HB2 TRP A 12 6.391 9.340 -1.328 1.00 0.00 H new ATOM 0 HB3 TRP A 12 5.115 8.273 -0.776 1.00 0.00 H new ATOM 0 HD1 TRP A 12 8.042 8.314 -3.293 1.00 0.00 H new ATOM 0 HE1 TRP A 12 8.900 5.885 -3.558 1.00 0.00 H new ATOM 0 HE3 TRP A 12 4.490 5.957 -0.546 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 8.086 3.247 -2.651 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 4.533 3.497 -0.241 1.00 0.00 H new ATOM 0 HH2 TRP A 12 6.330 2.140 -1.285 1.00 0.00 H new ATOM 191 N CYS A 13 2.982 7.552 -2.216 1.00 0.00 N ATOM 192 CA CYS A 13 1.957 6.558 -2.536 1.00 0.00 C ATOM 193 C CYS A 13 1.003 7.082 -3.618 1.00 0.00 C ATOM 194 O CYS A 13 0.682 6.377 -4.575 1.00 0.00 O ATOM 195 CB CYS A 13 1.166 6.241 -1.257 1.00 0.00 C ATOM 196 SG CYS A 13 2.030 4.966 -0.310 1.00 0.00 S ATOM 0 H CYS A 13 3.066 7.767 -1.223 1.00 0.00 H new ATOM 0 HA CYS A 13 2.439 5.658 -2.918 1.00 0.00 H new ATOM 0 HB2 CYS A 13 1.053 7.142 -0.654 1.00 0.00 H new ATOM 0 HB3 CYS A 13 0.162 5.901 -1.513 1.00 0.00 H new ATOM 0 HG CYS A 13 3.223 4.796 -0.798 1.00 0.00 H new ATOM 202 N ARG A 14 0.556 8.315 -3.438 1.00 0.00 N ATOM 203 CA ARG A 14 -0.372 8.938 -4.383 1.00 0.00 C ATOM 204 C ARG A 14 0.262 9.032 -5.764 1.00 0.00 C ATOM 205 O ARG A 14 -0.355 8.709 -6.779 1.00 0.00 O ATOM 206 CB ARG A 14 -0.716 10.353 -3.907 1.00 0.00 C ATOM 207 CG ARG A 14 -2.042 10.800 -4.531 1.00 0.00 C ATOM 208 CD ARG A 14 -2.351 12.234 -4.100 1.00 0.00 C ATOM 209 NE ARG A 14 -3.683 12.626 -4.559 1.00 0.00 N ATOM 210 CZ ARG A 14 -4.767 12.366 -3.831 1.00 0.00 C ATOM 211 NH1 ARG A 14 -5.274 11.163 -3.824 1.00 0.00 N ATOM 212 NH2 ARG A 14 -5.323 13.312 -3.124 1.00 0.00 N ATOM 0 H ARG A 14 0.817 8.907 -2.650 1.00 0.00 H new ATOM 0 HA ARG A 14 -1.273 8.327 -4.437 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.790 10.373 -2.820 1.00 0.00 H new ATOM 0 HB3 ARG A 14 0.079 11.044 -4.186 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -1.983 10.740 -5.618 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -2.846 10.134 -4.218 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -2.295 12.315 -3.014 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -1.603 12.913 -4.510 1.00 0.00 H new ATOM 0 HE ARG A 14 -3.783 13.107 -5.453 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -4.840 10.423 -4.376 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -6.104 10.963 -3.267 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -4.927 14.252 -3.129 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -6.153 13.111 -2.567 1.00 0.00 H new ATOM 226 N ALA A 15 1.498 9.498 -5.776 1.00 0.00 N ATOM 227 CA ALA A 15 2.236 9.668 -7.020 1.00 0.00 C ATOM 228 C ALA A 15 2.186 8.402 -7.870 1.00 0.00 C ATOM 229 O ALA A 15 2.528 8.423 -9.049 1.00 0.00 O ATOM 230 CB ALA A 15 3.690 10.027 -6.709 1.00 0.00 C ATOM 0 H ALA A 15 2.015 9.766 -4.938 1.00 0.00 H new ATOM 0 HA ALA A 15 1.770 10.474 -7.587 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.241 10.154 -7.641 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.722 10.956 -6.140 1.00 0.00 H new ATOM 0 HB3 ALA A 15 4.145 9.227 -6.125 1.00 0.00 H new ATOM 236 N MET A 16 1.804 7.296 -7.248 1.00 0.00 N ATOM 237 CA MET A 16 1.759 6.001 -7.935 1.00 0.00 C ATOM 238 C MET A 16 0.320 5.489 -7.997 1.00 0.00 C ATOM 239 O MET A 16 0.064 4.424 -8.546 1.00 0.00 O ATOM 240 CB MET A 16 2.677 4.990 -7.191 1.00 0.00 C ATOM 241 CG MET A 16 3.505 5.729 -6.131 1.00 0.00 C ATOM 242 SD MET A 16 4.987 4.780 -5.725 1.00 0.00 S ATOM 243 CE MET A 16 6.150 6.176 -5.724 1.00 0.00 C ATOM 0 H MET A 16 1.520 7.263 -6.269 1.00 0.00 H new ATOM 0 HA MET A 16 2.120 6.116 -8.957 1.00 0.00 H new ATOM 0 HB2 MET A 16 2.074 4.214 -6.720 1.00 0.00 H new ATOM 0 HB3 MET A 16 3.338 4.493 -7.901 1.00 0.00 H new ATOM 0 HG2 MET A 16 3.786 6.715 -6.501 1.00 0.00 H new ATOM 0 HG3 MET A 16 2.906 5.884 -5.234 1.00 0.00 H new ATOM 0 HE1 MET A 16 7.148 5.818 -5.474 1.00 0.00 H new ATOM 0 HE2 MET A 16 6.167 6.636 -6.712 1.00 0.00 H new ATOM 0 HE3 MET A 16 5.833 6.913 -4.986 1.00 0.00 H new ATOM 253 N THR A 17 -0.603 6.249 -7.409 1.00 0.00 N ATOM 254 CA THR A 17 -2.015 5.867 -7.389 1.00 0.00 C ATOM 255 C THR A 17 -2.752 6.415 -8.608 1.00 0.00 C ATOM 256 O THR A 17 -3.866 5.990 -8.917 1.00 0.00 O ATOM 257 CB THR A 17 -2.677 6.402 -6.119 1.00 0.00 C ATOM 258 OG1 THR A 17 -1.861 6.106 -4.995 1.00 0.00 O ATOM 259 CG2 THR A 17 -4.048 5.749 -5.943 1.00 0.00 C ATOM 0 H THR A 17 -0.399 7.132 -6.941 1.00 0.00 H new ATOM 0 HA THR A 17 -2.070 4.779 -7.410 1.00 0.00 H new ATOM 0 HB THR A 17 -2.798 7.482 -6.202 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.943 6.399 -5.171 1.00 0.00 H new ATOM 0 HG21 THR A 17 -4.519 6.131 -5.037 1.00 0.00 H new ATOM 0 HG22 THR A 17 -4.675 5.981 -6.804 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.929 4.669 -5.862 1.00 0.00 H new ATOM 267 N ARG A 18 -2.115 7.342 -9.307 1.00 0.00 N ATOM 268 CA ARG A 18 -2.701 7.927 -10.507 1.00 0.00 C ATOM 269 C ARG A 18 -2.797 6.880 -11.609 1.00 0.00 C ATOM 270 O ARG A 18 -3.748 6.846 -12.390 1.00 0.00 O ATOM 271 CB ARG A 18 -1.829 9.092 -10.962 1.00 0.00 C ATOM 272 CG ARG A 18 -2.007 10.251 -9.982 1.00 0.00 C ATOM 273 CD ARG A 18 -1.136 11.426 -10.409 1.00 0.00 C ATOM 274 NE ARG A 18 -1.376 12.560 -9.522 1.00 0.00 N ATOM 275 CZ ARG A 18 -0.694 12.707 -8.394 1.00 0.00 C ATOM 276 NH1 ARG A 18 0.459 13.311 -8.407 1.00 0.00 N ATOM 277 NH2 ARG A 18 -1.177 12.241 -7.278 1.00 0.00 N ATOM 0 H ARG A 18 -1.193 7.706 -9.066 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.707 8.285 -10.287 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -0.783 8.788 -11.001 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.109 9.402 -11.969 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.053 10.555 -9.950 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -1.736 9.933 -8.975 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -0.084 11.143 -10.377 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.360 11.703 -11.439 1.00 0.00 H new ATOM 0 HE ARG A 18 -2.081 13.252 -9.774 1.00 0.00 H new ATOM 0 HH11 ARG A 18 0.837 13.670 -9.284 1.00 0.00 H new ATOM 0 HH12 ARG A 18 0.985 13.425 -7.540 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -2.078 11.764 -7.272 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -0.654 12.353 -6.410 1.00 0.00 H new ATOM 291 N ASN A 19 -1.777 6.040 -11.652 1.00 0.00 N ATOM 292 CA ASN A 19 -1.689 4.976 -12.645 1.00 0.00 C ATOM 293 C ASN A 19 -2.845 4.002 -12.484 1.00 0.00 C ATOM 294 O ASN A 19 -3.384 3.484 -13.462 1.00 0.00 O ATOM 295 CB ASN A 19 -0.373 4.211 -12.478 1.00 0.00 C ATOM 296 CG ASN A 19 0.812 5.163 -12.606 1.00 0.00 C ATOM 297 OD1 ASN A 19 0.720 6.203 -13.388 1.00 0.00 O flip ATOM 298 ND2 ASN A 19 1.850 4.950 -11.979 1.00 0.00 N flip ATOM 0 H ASN A 19 -0.989 6.073 -11.005 1.00 0.00 H new ATOM 0 HA ASN A 19 -1.732 5.430 -13.635 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.351 3.720 -11.505 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.302 3.427 -13.232 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.919 4.136 -11.368 1.00 0.00 H new ATOM 0 HD22 ASN A 19 2.641 5.588 -12.070 1.00 0.00 H new ATOM 305 N TYR A 20 -3.209 3.757 -11.235 1.00 0.00 N ATOM 306 CA TYR A 20 -4.291 2.841 -10.906 1.00 0.00 C ATOM 307 C TYR A 20 -5.614 3.582 -10.752 1.00 0.00 C ATOM 308 O TYR A 20 -5.635 4.784 -10.486 1.00 0.00 O ATOM 309 CB TYR A 20 -3.948 2.130 -9.600 1.00 0.00 C ATOM 310 CG TYR A 20 -2.758 1.231 -9.819 1.00 0.00 C ATOM 311 CD1 TYR A 20 -1.466 1.724 -9.620 1.00 0.00 C ATOM 312 CD2 TYR A 20 -2.949 -0.092 -10.218 1.00 0.00 C ATOM 313 CE1 TYR A 20 -0.359 0.890 -9.821 1.00 0.00 C ATOM 314 CE2 TYR A 20 -1.847 -0.928 -10.421 1.00 0.00 C ATOM 315 CZ TYR A 20 -0.551 -0.436 -10.222 1.00 0.00 C ATOM 316 OH TYR A 20 0.536 -1.257 -10.417 1.00 0.00 O ATOM 0 H TYR A 20 -2.765 4.186 -10.423 1.00 0.00 H new ATOM 0 HA TYR A 20 -4.402 2.121 -11.716 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.728 2.861 -8.822 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -4.801 1.545 -9.256 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -1.321 2.749 -9.311 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -3.949 -0.471 -10.370 1.00 0.00 H new ATOM 0 HE1 TYR A 20 0.640 1.270 -9.667 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -1.995 -1.952 -10.731 1.00 0.00 H new ATOM 0 HH TYR A 20 0.277 -2.013 -10.985 1.00 0.00 H new ATOM 326 N GLU A 21 -6.722 2.862 -10.942 1.00 0.00 N ATOM 327 CA GLU A 21 -8.054 3.462 -10.835 1.00 0.00 C ATOM 328 C GLU A 21 -8.858 2.789 -9.736 1.00 0.00 C ATOM 329 O GLU A 21 -8.416 1.795 -9.163 1.00 0.00 O ATOM 330 CB GLU A 21 -8.800 3.316 -12.156 1.00 0.00 C ATOM 331 CG GLU A 21 -8.106 4.156 -13.226 1.00 0.00 C ATOM 332 CD GLU A 21 -8.835 3.998 -14.554 1.00 0.00 C ATOM 333 OE1 GLU A 21 -9.830 3.292 -14.578 1.00 0.00 O ATOM 334 OE2 GLU A 21 -8.392 4.588 -15.526 1.00 0.00 O ATOM 0 H GLU A 21 -6.724 1.868 -11.170 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.932 4.518 -10.594 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.824 2.269 -12.459 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.835 3.638 -12.040 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.095 5.205 -12.929 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.067 3.843 -13.331 1.00 0.00 H new ATOM 341 N HIS A 22 -10.032 3.346 -9.442 1.00 0.00 N ATOM 342 CA HIS A 22 -10.891 2.801 -8.397 1.00 0.00 C ATOM 343 C HIS A 22 -10.154 2.902 -7.062 1.00 0.00 C ATOM 344 O HIS A 22 -10.632 2.463 -6.021 1.00 0.00 O ATOM 345 CB HIS A 22 -11.248 1.336 -8.730 1.00 0.00 C ATOM 346 CG HIS A 22 -12.318 0.817 -7.804 1.00 0.00 C ATOM 347 ND1 HIS A 22 -12.147 0.765 -6.435 1.00 0.00 N ATOM 348 CD2 HIS A 22 -13.561 0.283 -8.042 1.00 0.00 C ATOM 349 CE1 HIS A 22 -13.253 0.222 -5.902 1.00 0.00 C ATOM 350 NE2 HIS A 22 -14.151 -0.092 -6.838 1.00 0.00 N ATOM 0 H HIS A 22 -10.407 4.170 -9.911 1.00 0.00 H new ATOM 0 HA HIS A 22 -11.822 3.365 -8.332 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -11.591 1.267 -9.762 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -10.357 0.713 -8.648 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -11.326 1.083 -5.920 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -14.013 0.171 -9.017 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -13.398 0.059 -4.844 1.00 0.00 H new ATOM 358 N VAL A 23 -8.974 3.515 -7.111 1.00 0.00 N ATOM 359 CA VAL A 23 -8.142 3.704 -5.925 1.00 0.00 C ATOM 360 C VAL A 23 -7.833 5.186 -5.732 1.00 0.00 C ATOM 361 O VAL A 23 -7.317 5.846 -6.633 1.00 0.00 O ATOM 362 CB VAL A 23 -6.838 2.921 -6.121 1.00 0.00 C ATOM 363 CG1 VAL A 23 -5.913 3.091 -4.911 1.00 0.00 C ATOM 364 CG2 VAL A 23 -7.161 1.430 -6.306 1.00 0.00 C ATOM 0 H VAL A 23 -8.569 3.893 -7.968 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.668 3.344 -5.041 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.331 3.308 -7.005 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.995 2.527 -5.073 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.673 4.146 -4.782 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.413 2.721 -4.016 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -6.235 0.872 -6.446 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -7.680 1.058 -5.423 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.798 1.302 -7.181 1.00 0.00 H new ATOM 374 N ASP A 24 -8.130 5.688 -4.541 1.00 0.00 N ATOM 375 CA ASP A 24 -7.872 7.093 -4.209 1.00 0.00 C ATOM 376 C ASP A 24 -7.395 7.203 -2.767 1.00 0.00 C ATOM 377 O ASP A 24 -8.165 6.995 -1.832 1.00 0.00 O ATOM 378 CB ASP A 24 -9.144 7.922 -4.394 1.00 0.00 C ATOM 379 CG ASP A 24 -8.812 9.405 -4.290 1.00 0.00 C ATOM 380 OD1 ASP A 24 -7.717 9.718 -3.851 1.00 0.00 O ATOM 381 OD2 ASP A 24 -9.656 10.207 -4.656 1.00 0.00 O ATOM 0 H ASP A 24 -8.550 5.148 -3.785 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.099 7.476 -4.876 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.591 7.707 -5.364 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.880 7.650 -3.637 1.00 0.00 H new ATOM 386 N ILE A 25 -6.109 7.498 -2.593 1.00 0.00 N ATOM 387 CA ILE A 25 -5.529 7.589 -1.253 1.00 0.00 C ATOM 388 C ILE A 25 -5.696 8.983 -0.638 1.00 0.00 C ATOM 389 O ILE A 25 -4.822 9.846 -0.751 1.00 0.00 O ATOM 390 CB ILE A 25 -4.054 7.184 -1.321 1.00 0.00 C ATOM 391 CG1 ILE A 25 -3.986 5.726 -1.794 1.00 0.00 C ATOM 392 CG2 ILE A 25 -3.416 7.306 0.064 1.00 0.00 C ATOM 393 CD1 ILE A 25 -2.538 5.320 -2.077 1.00 0.00 C ATOM 0 H ILE A 25 -5.453 7.677 -3.354 1.00 0.00 H new ATOM 0 HA ILE A 25 -6.067 6.905 -0.597 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.515 7.835 -2.010 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.411 5.071 -1.034 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -4.587 5.602 -2.695 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.367 7.016 0.008 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -3.490 8.337 0.409 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.936 6.651 0.763 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.510 4.283 -2.411 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.125 5.963 -2.854 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.946 5.424 -1.167 1.00 0.00 H new ATOM 405 N GLN A 26 -6.835 9.165 0.039 1.00 0.00 N ATOM 406 CA GLN A 26 -7.155 10.423 0.719 1.00 0.00 C ATOM 407 C GLN A 26 -6.731 10.318 2.176 1.00 0.00 C ATOM 408 O GLN A 26 -6.453 11.317 2.841 1.00 0.00 O ATOM 409 CB GLN A 26 -8.661 10.698 0.645 1.00 0.00 C ATOM 410 CG GLN A 26 -9.063 10.954 -0.807 1.00 0.00 C ATOM 411 CD GLN A 26 -10.573 11.138 -0.902 1.00 0.00 C ATOM 412 OE1 GLN A 26 -11.262 11.148 0.118 1.00 0.00 O ATOM 413 NE2 GLN A 26 -11.133 11.284 -2.072 1.00 0.00 N ATOM 0 H GLN A 26 -7.556 8.449 0.130 1.00 0.00 H new ATOM 0 HA GLN A 26 -6.624 11.241 0.232 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.216 9.848 1.043 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.914 11.561 1.261 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.555 11.842 -1.183 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -8.749 10.119 -1.433 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -10.560 11.275 -2.916 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -12.143 11.407 -2.142 1.00 0.00 H new ATOM 422 N ASN A 27 -6.668 9.083 2.652 1.00 0.00 N ATOM 423 CA ASN A 27 -6.259 8.796 4.016 1.00 0.00 C ATOM 424 C ASN A 27 -5.560 7.454 4.029 1.00 0.00 C ATOM 425 O ASN A 27 -5.317 6.868 2.974 1.00 0.00 O ATOM 426 CB ASN A 27 -7.472 8.767 4.956 1.00 0.00 C ATOM 427 CG ASN A 27 -7.020 8.947 6.405 1.00 0.00 C ATOM 428 OD1 ASN A 27 -6.882 7.969 7.142 1.00 0.00 O ATOM 429 ND2 ASN A 27 -6.786 10.147 6.863 1.00 0.00 N ATOM 0 H ASN A 27 -6.899 8.254 2.104 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.586 9.578 4.367 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -8.171 9.558 4.684 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -8.003 7.821 4.848 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -6.489 10.275 7.830 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -6.900 10.957 6.253 1.00 0.00 H new ATOM 436 N PHE A 28 -5.228 6.965 5.211 1.00 0.00 N ATOM 437 CA PHE A 28 -4.545 5.680 5.328 1.00 0.00 C ATOM 438 C PHE A 28 -5.491 4.619 5.869 1.00 0.00 C ATOM 439 O PHE A 28 -5.176 3.432 5.874 1.00 0.00 O ATOM 440 CB PHE A 28 -3.344 5.835 6.260 1.00 0.00 C ATOM 441 CG PHE A 28 -2.239 6.567 5.536 1.00 0.00 C ATOM 442 CD1 PHE A 28 -1.301 5.849 4.786 1.00 0.00 C ATOM 443 CD2 PHE A 28 -2.156 7.964 5.607 1.00 0.00 C ATOM 444 CE1 PHE A 28 -0.280 6.523 4.109 1.00 0.00 C ATOM 445 CE2 PHE A 28 -1.132 8.639 4.928 1.00 0.00 C ATOM 446 CZ PHE A 28 -0.196 7.919 4.179 1.00 0.00 C ATOM 0 H PHE A 28 -5.416 7.430 6.099 1.00 0.00 H new ATOM 0 HA PHE A 28 -4.206 5.364 4.341 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.633 6.385 7.156 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -2.994 4.856 6.586 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -1.366 4.772 4.730 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -2.880 8.520 6.184 1.00 0.00 H new ATOM 0 HE1 PHE A 28 0.444 5.967 3.532 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -1.066 9.716 4.983 1.00 0.00 H new ATOM 0 HZ PHE A 28 0.592 8.440 3.655 1.00 0.00 H new ATOM 456 N SER A 29 -6.640 5.069 6.354 1.00 0.00 N ATOM 457 CA SER A 29 -7.636 4.175 6.950 1.00 0.00 C ATOM 458 C SER A 29 -8.837 3.926 6.038 1.00 0.00 C ATOM 459 O SER A 29 -9.000 2.844 5.477 1.00 0.00 O ATOM 460 CB SER A 29 -8.135 4.798 8.252 1.00 0.00 C ATOM 461 OG SER A 29 -8.598 6.119 7.990 1.00 0.00 O ATOM 0 H SER A 29 -6.911 6.052 6.348 1.00 0.00 H new ATOM 0 HA SER A 29 -7.150 3.214 7.120 1.00 0.00 H new ATOM 0 HB2 SER A 29 -8.939 4.195 8.673 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.333 4.820 8.990 1.00 0.00 H new ATOM 0 HG SER A 29 -7.831 6.721 7.892 1.00 0.00 H new ATOM 467 N SER A 30 -9.685 4.934 5.917 1.00 0.00 N ATOM 468 CA SER A 30 -10.894 4.824 5.106 1.00 0.00 C ATOM 469 C SER A 30 -10.590 4.538 3.644 1.00 0.00 C ATOM 470 O SER A 30 -11.251 3.712 3.016 1.00 0.00 O ATOM 471 CB SER A 30 -11.701 6.117 5.203 1.00 0.00 C ATOM 472 OG SER A 30 -12.031 6.366 6.561 1.00 0.00 O ATOM 0 H SER A 30 -9.561 5.840 6.369 1.00 0.00 H new ATOM 0 HA SER A 30 -11.466 3.983 5.498 1.00 0.00 H new ATOM 0 HB2 SER A 30 -11.125 6.949 4.799 1.00 0.00 H new ATOM 0 HB3 SER A 30 -12.609 6.038 4.605 1.00 0.00 H new ATOM 0 HG SER A 30 -12.547 7.196 6.625 1.00 0.00 H new ATOM 478 N SER A 31 -9.614 5.237 3.097 1.00 0.00 N ATOM 479 CA SER A 31 -9.267 5.055 1.697 1.00 0.00 C ATOM 480 C SER A 31 -8.626 3.693 1.466 1.00 0.00 C ATOM 481 O SER A 31 -8.227 3.368 0.347 1.00 0.00 O ATOM 482 CB SER A 31 -8.322 6.164 1.256 1.00 0.00 C ATOM 483 OG SER A 31 -9.020 7.403 1.280 1.00 0.00 O ATOM 0 H SER A 31 -9.052 5.929 3.592 1.00 0.00 H new ATOM 0 HA SER A 31 -10.180 5.101 1.104 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.457 6.206 1.917 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.947 5.962 0.253 1.00 0.00 H new ATOM 0 HG SER A 31 -9.438 7.560 0.408 1.00 0.00 H new ATOM 489 N TRP A 32 -8.516 2.902 2.533 1.00 0.00 N ATOM 490 CA TRP A 32 -7.909 1.574 2.449 1.00 0.00 C ATOM 491 C TRP A 32 -8.926 0.469 2.730 1.00 0.00 C ATOM 492 O TRP A 32 -8.599 -0.715 2.653 1.00 0.00 O ATOM 493 CB TRP A 32 -6.790 1.504 3.475 1.00 0.00 C ATOM 494 CG TRP A 32 -5.661 2.353 3.027 1.00 0.00 C ATOM 495 CD1 TRP A 32 -5.720 3.692 2.877 1.00 0.00 C ATOM 496 CD2 TRP A 32 -4.313 1.954 2.676 1.00 0.00 C ATOM 497 NE1 TRP A 32 -4.490 4.141 2.441 1.00 0.00 N ATOM 498 CE2 TRP A 32 -3.586 3.105 2.311 1.00 0.00 C ATOM 499 CE3 TRP A 32 -3.662 0.715 2.638 1.00 0.00 C ATOM 500 CZ2 TRP A 32 -2.250 3.028 1.925 1.00 0.00 C ATOM 501 CZ3 TRP A 32 -2.317 0.631 2.246 1.00 0.00 C ATOM 502 CH2 TRP A 32 -1.612 1.786 1.894 1.00 0.00 C ATOM 0 H TRP A 32 -8.839 3.158 3.466 1.00 0.00 H new ATOM 0 HA TRP A 32 -7.529 1.421 1.439 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -7.150 1.841 4.447 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -6.458 0.473 3.598 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -6.585 4.310 3.066 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -4.275 5.118 2.240 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -4.198 -0.182 2.912 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -1.711 3.923 1.651 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -1.825 -0.330 2.216 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -0.575 1.718 1.599 1.00 0.00 H new ATOM 513 N SER A 33 -10.147 0.854 3.074 1.00 0.00 N ATOM 514 CA SER A 33 -11.186 -0.122 3.384 1.00 0.00 C ATOM 515 C SER A 33 -11.499 -1.000 2.176 1.00 0.00 C ATOM 516 O SER A 33 -12.283 -1.945 2.279 1.00 0.00 O ATOM 517 CB SER A 33 -12.458 0.596 3.829 1.00 0.00 C ATOM 518 OG SER A 33 -13.411 -0.364 4.266 1.00 0.00 O ATOM 0 H SER A 33 -10.443 1.828 3.146 1.00 0.00 H new ATOM 0 HA SER A 33 -10.818 -0.759 4.189 1.00 0.00 H new ATOM 0 HB2 SER A 33 -12.232 1.294 4.635 1.00 0.00 H new ATOM 0 HB3 SER A 33 -12.866 1.181 3.005 1.00 0.00 H new ATOM 0 HG SER A 33 -13.372 -0.443 5.242 1.00 0.00 H new ATOM 524 N SER A 34 -10.898 -0.690 1.029 1.00 0.00 N ATOM 525 CA SER A 34 -11.143 -1.466 -0.187 1.00 0.00 C ATOM 526 C SER A 34 -10.112 -2.577 -0.363 1.00 0.00 C ATOM 527 O SER A 34 -10.379 -3.575 -1.031 1.00 0.00 O ATOM 528 CB SER A 34 -11.085 -0.541 -1.402 1.00 0.00 C ATOM 529 OG SER A 34 -11.736 0.682 -1.094 1.00 0.00 O ATOM 0 H SER A 34 -10.244 0.085 0.915 1.00 0.00 H new ATOM 0 HA SER A 34 -12.129 -1.922 -0.098 1.00 0.00 H new ATOM 0 HB2 SER A 34 -10.048 -0.354 -1.681 1.00 0.00 H new ATOM 0 HB3 SER A 34 -11.565 -1.016 -2.258 1.00 0.00 H new ATOM 0 HG SER A 34 -11.698 1.277 -1.871 1.00 0.00 H new ATOM 535 N GLY A 35 -8.926 -2.386 0.201 1.00 0.00 N ATOM 536 CA GLY A 35 -7.864 -3.373 0.049 1.00 0.00 C ATOM 537 C GLY A 35 -7.213 -3.191 -1.314 1.00 0.00 C ATOM 538 O GLY A 35 -6.123 -3.695 -1.582 1.00 0.00 O ATOM 0 H GLY A 35 -8.677 -1.570 0.760 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.123 -3.254 0.839 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.270 -4.380 0.141 1.00 0.00 H new ATOM 542 N MET A 36 -7.908 -2.443 -2.160 1.00 0.00 N ATOM 543 CA MET A 36 -7.441 -2.151 -3.502 1.00 0.00 C ATOM 544 C MET A 36 -6.127 -1.379 -3.449 1.00 0.00 C ATOM 545 O MET A 36 -5.335 -1.418 -4.387 1.00 0.00 O ATOM 546 CB MET A 36 -8.502 -1.317 -4.233 1.00 0.00 C ATOM 547 CG MET A 36 -9.853 -2.045 -4.214 1.00 0.00 C ATOM 548 SD MET A 36 -9.890 -3.291 -5.528 1.00 0.00 S ATOM 549 CE MET A 36 -10.743 -2.283 -6.769 1.00 0.00 C ATOM 0 H MET A 36 -8.810 -2.024 -1.933 1.00 0.00 H new ATOM 0 HA MET A 36 -7.274 -3.087 -4.035 1.00 0.00 H new ATOM 0 HB2 MET A 36 -8.600 -0.341 -3.757 1.00 0.00 H new ATOM 0 HB3 MET A 36 -8.190 -1.140 -5.262 1.00 0.00 H new ATOM 0 HG2 MET A 36 -10.008 -2.519 -3.245 1.00 0.00 H new ATOM 0 HG3 MET A 36 -10.664 -1.331 -4.353 1.00 0.00 H new ATOM 0 HE1 MET A 36 -10.672 -2.768 -7.743 1.00 0.00 H new ATOM 0 HE2 MET A 36 -11.792 -2.176 -6.492 1.00 0.00 H new ATOM 0 HE3 MET A 36 -10.279 -1.298 -6.820 1.00 0.00 H new ATOM 559 N ALA A 37 -5.913 -0.662 -2.350 1.00 0.00 N ATOM 560 CA ALA A 37 -4.699 0.131 -2.195 1.00 0.00 C ATOM 561 C ALA A 37 -3.457 -0.751 -2.030 1.00 0.00 C ATOM 562 O ALA A 37 -2.453 -0.547 -2.712 1.00 0.00 O ATOM 563 CB ALA A 37 -4.833 1.065 -0.993 1.00 0.00 C ATOM 0 H ALA A 37 -6.558 -0.614 -1.561 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.572 0.718 -3.105 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -3.921 1.653 -0.886 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -5.680 1.734 -1.145 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -4.993 0.476 -0.090 1.00 0.00 H new ATOM 569 N PHE A 38 -3.518 -1.719 -1.115 1.00 0.00 N ATOM 570 CA PHE A 38 -2.367 -2.596 -0.876 1.00 0.00 C ATOM 571 C PHE A 38 -1.946 -3.318 -2.157 1.00 0.00 C ATOM 572 O PHE A 38 -0.760 -3.379 -2.480 1.00 0.00 O ATOM 573 CB PHE A 38 -2.698 -3.633 0.225 1.00 0.00 C ATOM 574 CG PHE A 38 -2.324 -3.091 1.593 1.00 0.00 C ATOM 575 CD1 PHE A 38 -0.971 -2.919 1.931 1.00 0.00 C ATOM 576 CD2 PHE A 38 -3.319 -2.766 2.516 1.00 0.00 C ATOM 577 CE1 PHE A 38 -0.627 -2.419 3.195 1.00 0.00 C ATOM 578 CE2 PHE A 38 -2.970 -2.268 3.777 1.00 0.00 C ATOM 579 CZ PHE A 38 -1.627 -2.095 4.113 1.00 0.00 C ATOM 0 H PHE A 38 -4.335 -1.915 -0.536 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.537 -1.972 -0.544 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.761 -3.872 0.200 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.158 -4.560 0.034 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.199 -3.171 1.220 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -4.359 -2.899 2.257 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.412 -2.285 3.458 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.741 -2.017 4.490 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.361 -1.709 5.086 1.00 0.00 H new ATOM 589 N CYS A 39 -2.911 -3.867 -2.875 1.00 0.00 N ATOM 590 CA CYS A 39 -2.605 -4.581 -4.111 1.00 0.00 C ATOM 591 C CYS A 39 -2.136 -3.619 -5.201 1.00 0.00 C ATOM 592 O CYS A 39 -1.167 -3.891 -5.910 1.00 0.00 O ATOM 593 CB CYS A 39 -3.849 -5.342 -4.593 1.00 0.00 C ATOM 594 SG CYS A 39 -3.886 -6.989 -3.843 1.00 0.00 S ATOM 0 H CYS A 39 -3.901 -3.835 -2.631 1.00 0.00 H new ATOM 0 HA CYS A 39 -1.799 -5.286 -3.907 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.750 -4.790 -4.327 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -3.837 -5.427 -5.680 1.00 0.00 H new ATOM 0 HG CYS A 39 -4.457 -6.922 -2.677 1.00 0.00 H new ATOM 600 N ALA A 40 -2.854 -2.511 -5.341 1.00 0.00 N ATOM 601 CA ALA A 40 -2.551 -1.514 -6.362 1.00 0.00 C ATOM 602 C ALA A 40 -1.167 -0.894 -6.170 1.00 0.00 C ATOM 603 O ALA A 40 -0.430 -0.696 -7.135 1.00 0.00 O ATOM 604 CB ALA A 40 -3.607 -0.416 -6.306 1.00 0.00 C ATOM 0 H ALA A 40 -3.656 -2.279 -4.756 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.557 -2.012 -7.332 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.391 0.336 -7.065 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.591 -0.847 -6.492 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.596 0.050 -5.321 1.00 0.00 H new ATOM 610 N LEU A 41 -0.834 -0.566 -4.930 1.00 0.00 N ATOM 611 CA LEU A 41 0.453 0.056 -4.626 1.00 0.00 C ATOM 612 C LEU A 41 1.605 -0.887 -4.985 1.00 0.00 C ATOM 613 O LEU A 41 2.586 -0.478 -5.607 1.00 0.00 O ATOM 614 CB LEU A 41 0.479 0.410 -3.133 1.00 0.00 C ATOM 615 CG LEU A 41 1.767 1.152 -2.760 1.00 0.00 C ATOM 616 CD1 LEU A 41 1.849 2.498 -3.506 1.00 0.00 C ATOM 617 CD2 LEU A 41 1.762 1.403 -1.247 1.00 0.00 C ATOM 0 H LEU A 41 -1.433 -0.718 -4.118 1.00 0.00 H new ATOM 0 HA LEU A 41 0.578 0.962 -5.219 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.384 1.029 -2.889 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.396 -0.500 -2.539 1.00 0.00 H new ATOM 0 HG LEU A 41 2.630 0.549 -3.043 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.770 3.012 -3.229 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.842 2.319 -4.581 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.993 3.117 -3.236 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.672 1.931 -0.963 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.894 2.007 -0.981 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.716 0.450 -0.720 1.00 0.00 H new ATOM 629 N ILE A 42 1.463 -2.156 -4.614 1.00 0.00 N ATOM 630 CA ILE A 42 2.476 -3.171 -4.916 1.00 0.00 C ATOM 631 C ILE A 42 2.568 -3.431 -6.425 1.00 0.00 C ATOM 632 O ILE A 42 3.662 -3.546 -6.977 1.00 0.00 O ATOM 633 CB ILE A 42 2.113 -4.472 -4.168 1.00 0.00 C ATOM 634 CG1 ILE A 42 2.542 -4.368 -2.695 1.00 0.00 C ATOM 635 CG2 ILE A 42 2.768 -5.702 -4.814 1.00 0.00 C ATOM 636 CD1 ILE A 42 4.081 -4.247 -2.556 1.00 0.00 C ATOM 0 H ILE A 42 0.655 -2.510 -4.102 1.00 0.00 H new ATOM 0 HA ILE A 42 3.451 -2.812 -4.586 1.00 0.00 H new ATOM 0 HB ILE A 42 1.032 -4.598 -4.229 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.066 -3.501 -2.237 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.195 -5.247 -2.151 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.488 -6.597 -4.259 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.429 -5.795 -5.846 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.852 -5.588 -4.797 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.347 -4.176 -1.501 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.556 -5.126 -2.991 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.424 -3.354 -3.078 1.00 0.00 H new ATOM 648 N HIS A 43 1.416 -3.553 -7.071 1.00 0.00 N ATOM 649 CA HIS A 43 1.372 -3.831 -8.506 1.00 0.00 C ATOM 650 C HIS A 43 2.196 -2.809 -9.288 1.00 0.00 C ATOM 651 O HIS A 43 2.428 -2.966 -10.488 1.00 0.00 O ATOM 652 CB HIS A 43 -0.087 -3.776 -8.977 1.00 0.00 C ATOM 653 CG HIS A 43 -0.189 -4.271 -10.392 1.00 0.00 C ATOM 654 ND1 HIS A 43 0.301 -3.555 -11.469 1.00 0.00 N ATOM 655 CD2 HIS A 43 -0.744 -5.404 -10.919 1.00 0.00 C ATOM 656 CE1 HIS A 43 0.033 -4.259 -12.582 1.00 0.00 C ATOM 657 NE2 HIS A 43 -0.606 -5.398 -12.306 1.00 0.00 N ATOM 0 H HIS A 43 0.501 -3.465 -6.629 1.00 0.00 H new ATOM 0 HA HIS A 43 1.794 -4.820 -8.686 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -0.712 -4.385 -8.324 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -0.460 -2.754 -8.913 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -1.219 -6.187 -10.346 1.00 0.00 H new ATOM 0 HE1 HIS A 43 0.302 -3.942 -13.579 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -0.924 -6.108 -12.966 1.00 0.00 H new ATOM 665 N LYS A 44 2.612 -1.753 -8.598 1.00 0.00 N ATOM 666 CA LYS A 44 3.387 -0.689 -9.228 1.00 0.00 C ATOM 667 C LYS A 44 4.865 -1.047 -9.333 1.00 0.00 C ATOM 668 O LYS A 44 5.543 -0.671 -10.290 1.00 0.00 O ATOM 669 CB LYS A 44 3.232 0.611 -8.416 1.00 0.00 C ATOM 670 CG LYS A 44 3.524 1.851 -9.303 1.00 0.00 C ATOM 671 CD LYS A 44 4.948 2.353 -9.048 1.00 0.00 C ATOM 672 CE LYS A 44 5.316 3.382 -10.111 1.00 0.00 C ATOM 673 NZ LYS A 44 5.262 2.742 -11.454 1.00 0.00 N ATOM 0 H LYS A 44 2.427 -1.610 -7.605 1.00 0.00 H new ATOM 0 HA LYS A 44 3.003 -0.553 -10.239 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.221 0.676 -8.014 1.00 0.00 H new ATOM 0 HB3 LYS A 44 3.914 0.598 -7.565 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.404 1.592 -10.355 1.00 0.00 H new ATOM 0 HG3 LYS A 44 2.806 2.642 -9.085 1.00 0.00 H new ATOM 0 HD2 LYS A 44 5.017 2.798 -8.055 1.00 0.00 H new ATOM 0 HD3 LYS A 44 5.650 1.520 -9.073 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.628 4.226 -10.070 1.00 0.00 H new ATOM 0 HE3 LYS A 44 6.315 3.775 -9.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 5.925 3.223 -12.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 5.526 1.739 -11.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 4.297 2.816 -11.835 1.00 0.00 H new ATOM 687 N PHE A 45 5.365 -1.745 -8.321 1.00 0.00 N ATOM 688 CA PHE A 45 6.776 -2.123 -8.275 1.00 0.00 C ATOM 689 C PHE A 45 6.996 -3.539 -8.809 1.00 0.00 C ATOM 690 O PHE A 45 8.102 -3.887 -9.215 1.00 0.00 O ATOM 691 CB PHE A 45 7.265 -2.041 -6.828 1.00 0.00 C ATOM 692 CG PHE A 45 6.709 -0.797 -6.160 1.00 0.00 C ATOM 693 CD1 PHE A 45 6.969 0.473 -6.696 1.00 0.00 C ATOM 694 CD2 PHE A 45 5.935 -0.917 -4.996 1.00 0.00 C ATOM 695 CE1 PHE A 45 6.455 1.617 -6.066 1.00 0.00 C ATOM 696 CE2 PHE A 45 5.425 0.222 -4.374 1.00 0.00 C ATOM 697 CZ PHE A 45 5.683 1.490 -4.906 1.00 0.00 C ATOM 0 H PHE A 45 4.817 -2.062 -7.521 1.00 0.00 H new ATOM 0 HA PHE A 45 7.338 -1.436 -8.908 1.00 0.00 H new ATOM 0 HB2 PHE A 45 6.952 -2.929 -6.279 1.00 0.00 H new ATOM 0 HB3 PHE A 45 8.355 -2.020 -6.805 1.00 0.00 H new ATOM 0 HD1 PHE A 45 7.564 0.570 -7.592 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.734 -1.894 -4.581 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.655 2.596 -6.477 1.00 0.00 H new ATOM 0 HE2 PHE A 45 4.829 0.125 -3.479 1.00 0.00 H new ATOM 0 HZ PHE A 45 5.287 2.370 -4.422 1.00 0.00 H new ATOM 707 N PHE A 46 5.949 -4.358 -8.777 1.00 0.00 N ATOM 708 CA PHE A 46 6.051 -5.750 -9.226 1.00 0.00 C ATOM 709 C PHE A 46 5.001 -6.072 -10.303 1.00 0.00 C ATOM 710 O PHE A 46 3.849 -6.328 -9.971 1.00 0.00 O ATOM 711 CB PHE A 46 5.847 -6.640 -8.004 1.00 0.00 C ATOM 712 CG PHE A 46 6.962 -6.367 -7.027 1.00 0.00 C ATOM 713 CD1 PHE A 46 8.190 -7.013 -7.177 1.00 0.00 C ATOM 714 CD2 PHE A 46 6.774 -5.455 -5.985 1.00 0.00 C ATOM 715 CE1 PHE A 46 9.230 -6.752 -6.280 1.00 0.00 C ATOM 716 CE2 PHE A 46 7.812 -5.192 -5.088 1.00 0.00 C ATOM 717 CZ PHE A 46 9.039 -5.842 -5.232 1.00 0.00 C ATOM 0 H PHE A 46 5.023 -4.087 -8.447 1.00 0.00 H new ATOM 0 HA PHE A 46 7.029 -5.923 -9.675 1.00 0.00 H new ATOM 0 HB2 PHE A 46 4.880 -6.436 -7.543 1.00 0.00 H new ATOM 0 HB3 PHE A 46 5.846 -7.690 -8.295 1.00 0.00 H new ATOM 0 HD1 PHE A 46 8.337 -7.714 -7.985 1.00 0.00 H new ATOM 0 HD2 PHE A 46 5.825 -4.953 -5.873 1.00 0.00 H new ATOM 0 HE1 PHE A 46 10.181 -7.252 -6.395 1.00 0.00 H new ATOM 0 HE2 PHE A 46 7.665 -4.486 -4.284 1.00 0.00 H new ATOM 0 HZ PHE A 46 9.841 -5.644 -4.536 1.00 0.00 H new ATOM 727 N PRO A 47 5.356 -6.072 -11.582 1.00 0.00 N ATOM 728 CA PRO A 47 4.380 -6.384 -12.672 1.00 0.00 C ATOM 729 C PRO A 47 4.072 -7.881 -12.744 1.00 0.00 C ATOM 730 O PRO A 47 2.928 -8.283 -12.956 1.00 0.00 O ATOM 731 CB PRO A 47 5.072 -5.905 -13.974 1.00 0.00 C ATOM 732 CG PRO A 47 6.410 -5.340 -13.570 1.00 0.00 C ATOM 733 CD PRO A 47 6.690 -5.787 -12.131 1.00 0.00 C ATOM 0 HA PRO A 47 3.422 -5.892 -12.503 1.00 0.00 H new ATOM 0 HB2 PRO A 47 5.196 -6.732 -14.673 1.00 0.00 H new ATOM 0 HB3 PRO A 47 4.469 -5.150 -14.478 1.00 0.00 H new ATOM 0 HG2 PRO A 47 7.193 -5.695 -14.240 1.00 0.00 H new ATOM 0 HG3 PRO A 47 6.402 -4.252 -13.638 1.00 0.00 H new ATOM 0 HD2 PRO A 47 7.330 -6.669 -12.104 1.00 0.00 H new ATOM 0 HD3 PRO A 47 7.198 -5.008 -11.562 1.00 0.00 H new ATOM 741 N GLU A 48 5.106 -8.691 -12.557 1.00 0.00 N ATOM 742 CA GLU A 48 4.945 -10.136 -12.591 1.00 0.00 C ATOM 743 C GLU A 48 4.015 -10.551 -11.460 1.00 0.00 C ATOM 744 O GLU A 48 3.521 -11.678 -11.412 1.00 0.00 O ATOM 745 CB GLU A 48 6.312 -10.816 -12.438 1.00 0.00 C ATOM 746 CG GLU A 48 7.211 -10.441 -13.623 1.00 0.00 C ATOM 747 CD GLU A 48 6.635 -10.995 -14.922 1.00 0.00 C ATOM 748 OE1 GLU A 48 5.935 -11.993 -14.858 1.00 0.00 O ATOM 749 OE2 GLU A 48 6.902 -10.416 -15.962 1.00 0.00 O ATOM 0 H GLU A 48 6.059 -8.373 -12.381 1.00 0.00 H new ATOM 0 HA GLU A 48 4.515 -10.442 -13.545 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.779 -10.508 -11.503 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.188 -11.898 -12.391 1.00 0.00 H new ATOM 0 HG2 GLU A 48 7.301 -9.357 -13.691 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.215 -10.835 -13.465 1.00 0.00 H new ATOM 756 N ALA A 49 3.804 -9.606 -10.549 1.00 0.00 N ATOM 757 CA ALA A 49 2.948 -9.825 -9.384 1.00 0.00 C ATOM 758 C ALA A 49 1.632 -10.475 -9.754 1.00 0.00 C ATOM 759 O ALA A 49 1.420 -11.667 -9.526 1.00 0.00 O ATOM 760 CB ALA A 49 2.635 -8.483 -8.723 1.00 0.00 C ATOM 0 H ALA A 49 4.217 -8.674 -10.595 1.00 0.00 H new ATOM 0 HA ALA A 49 3.490 -10.488 -8.709 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.997 -8.645 -7.854 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.564 -8.008 -8.407 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.121 -7.838 -9.435 1.00 0.00 H new ATOM 766 N PHE A 50 0.757 -9.677 -10.336 1.00 0.00 N ATOM 767 CA PHE A 50 -0.547 -10.144 -10.755 1.00 0.00 C ATOM 768 C PHE A 50 -1.226 -9.079 -11.598 1.00 0.00 C ATOM 769 O PHE A 50 -0.806 -7.934 -11.613 1.00 0.00 O ATOM 770 CB PHE A 50 -1.414 -10.464 -9.530 1.00 0.00 C ATOM 771 CG PHE A 50 -1.229 -9.394 -8.473 1.00 0.00 C ATOM 772 CD1 PHE A 50 -1.862 -8.152 -8.609 1.00 0.00 C ATOM 773 CD2 PHE A 50 -0.427 -9.649 -7.351 1.00 0.00 C ATOM 774 CE1 PHE A 50 -1.691 -7.165 -7.626 1.00 0.00 C ATOM 775 CE2 PHE A 50 -0.258 -8.661 -6.368 1.00 0.00 C ATOM 776 CZ PHE A 50 -0.888 -7.420 -6.506 1.00 0.00 C ATOM 0 H PHE A 50 0.931 -8.691 -10.530 1.00 0.00 H new ATOM 0 HA PHE A 50 -0.424 -11.051 -11.347 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.463 -10.522 -9.821 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.141 -11.438 -9.125 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.482 -7.954 -9.471 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.061 -10.606 -7.243 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.179 -6.207 -7.733 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.359 -8.859 -5.504 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.756 -6.659 -5.751 1.00 0.00 H new ATOM 786 N ASP A 51 -2.290 -9.463 -12.283 1.00 0.00 N ATOM 787 CA ASP A 51 -3.041 -8.519 -13.101 1.00 0.00 C ATOM 788 C ASP A 51 -4.053 -7.790 -12.219 1.00 0.00 C ATOM 789 O ASP A 51 -5.138 -8.303 -11.949 1.00 0.00 O ATOM 790 CB ASP A 51 -3.777 -9.259 -14.221 1.00 0.00 C ATOM 791 CG ASP A 51 -2.782 -9.751 -15.269 1.00 0.00 C ATOM 792 OD1 ASP A 51 -1.627 -9.368 -15.187 1.00 0.00 O ATOM 793 OD2 ASP A 51 -3.192 -10.503 -16.137 1.00 0.00 O ATOM 0 H ASP A 51 -2.654 -10.416 -12.291 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.352 -7.802 -13.547 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.329 -10.103 -13.808 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -4.508 -8.597 -14.685 1.00 0.00 H new ATOM 798 N TYR A 52 -3.681 -6.601 -11.754 1.00 0.00 N ATOM 799 CA TYR A 52 -4.552 -5.810 -10.888 1.00 0.00 C ATOM 800 C TYR A 52 -5.840 -5.454 -11.599 1.00 0.00 C ATOM 801 O TYR A 52 -6.850 -5.151 -10.964 1.00 0.00 O ATOM 802 CB TYR A 52 -3.839 -4.521 -10.483 1.00 0.00 C ATOM 803 CG TYR A 52 -4.788 -3.613 -9.728 1.00 0.00 C ATOM 804 CD1 TYR A 52 -4.928 -3.735 -8.340 1.00 0.00 C ATOM 805 CD2 TYR A 52 -5.538 -2.655 -10.422 1.00 0.00 C ATOM 806 CE1 TYR A 52 -5.814 -2.901 -7.649 1.00 0.00 C ATOM 807 CE2 TYR A 52 -6.424 -1.820 -9.730 1.00 0.00 C ATOM 808 CZ TYR A 52 -6.562 -1.943 -8.343 1.00 0.00 C ATOM 809 OH TYR A 52 -7.435 -1.121 -7.659 1.00 0.00 O ATOM 0 H TYR A 52 -2.783 -6.164 -11.962 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.787 -6.405 -10.005 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.975 -4.755 -9.860 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -3.464 -4.010 -11.370 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.352 -4.473 -7.802 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -5.433 -2.560 -11.493 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -5.921 -2.997 -6.579 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -7.001 -1.081 -10.267 1.00 0.00 H new ATOM 0 HH TYR A 52 -8.310 -1.133 -8.101 1.00 0.00 H new ATOM 819 N ALA A 53 -5.801 -5.489 -12.916 1.00 0.00 N ATOM 820 CA ALA A 53 -6.977 -5.166 -13.708 1.00 0.00 C ATOM 821 C ALA A 53 -7.916 -6.360 -13.776 1.00 0.00 C ATOM 822 O ALA A 53 -9.062 -6.236 -14.208 1.00 0.00 O ATOM 823 CB ALA A 53 -6.547 -4.762 -15.119 1.00 0.00 C ATOM 0 H ALA A 53 -4.974 -5.736 -13.460 1.00 0.00 H new ATOM 0 HA ALA A 53 -7.504 -4.337 -13.236 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.428 -4.520 -15.713 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -5.895 -3.890 -15.065 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -6.010 -5.588 -15.586 1.00 0.00 H new ATOM 829 N GLU A 54 -7.418 -7.527 -13.370 1.00 0.00 N ATOM 830 CA GLU A 54 -8.212 -8.751 -13.405 1.00 0.00 C ATOM 831 C GLU A 54 -8.973 -8.929 -12.101 1.00 0.00 C ATOM 832 O GLU A 54 -9.953 -9.672 -12.036 1.00 0.00 O ATOM 833 CB GLU A 54 -7.269 -9.938 -13.596 1.00 0.00 C ATOM 834 CG GLU A 54 -8.056 -11.174 -14.040 1.00 0.00 C ATOM 835 CD GLU A 54 -7.095 -12.329 -14.312 1.00 0.00 C ATOM 836 OE1 GLU A 54 -5.908 -12.070 -14.425 1.00 0.00 O ATOM 837 OE2 GLU A 54 -7.561 -13.452 -14.402 1.00 0.00 O ATOM 0 H GLU A 54 -6.470 -7.649 -13.014 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.928 -8.691 -14.225 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.512 -9.694 -14.341 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.744 -10.148 -12.664 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -8.771 -11.458 -13.268 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.630 -10.947 -14.938 1.00 0.00 H new ATOM 844 N LEU A 55 -8.512 -8.246 -11.059 1.00 0.00 N ATOM 845 CA LEU A 55 -9.152 -8.342 -9.752 1.00 0.00 C ATOM 846 C LEU A 55 -10.403 -7.477 -9.689 1.00 0.00 C ATOM 847 O LEU A 55 -10.505 -6.459 -10.376 1.00 0.00 O ATOM 848 CB LEU A 55 -8.150 -7.902 -8.684 1.00 0.00 C ATOM 849 CG LEU A 55 -7.000 -8.924 -8.614 1.00 0.00 C ATOM 850 CD1 LEU A 55 -5.840 -8.354 -7.786 1.00 0.00 C ATOM 851 CD2 LEU A 55 -7.490 -10.245 -7.981 1.00 0.00 C ATOM 0 H LEU A 55 -7.704 -7.624 -11.093 1.00 0.00 H new ATOM 0 HA LEU A 55 -9.457 -9.374 -9.577 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.759 -6.913 -8.921 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.644 -7.826 -7.715 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.654 -9.126 -9.628 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.031 -9.084 -7.742 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.477 -7.438 -8.251 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.187 -8.135 -6.776 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.665 -10.956 -7.939 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.854 -10.052 -6.972 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.297 -10.660 -8.585 1.00 0.00 H new ATOM 863 N ASP A 56 -11.363 -7.902 -8.865 1.00 0.00 N ATOM 864 CA ASP A 56 -12.626 -7.183 -8.711 1.00 0.00 C ATOM 865 C ASP A 56 -12.864 -6.843 -7.229 1.00 0.00 C ATOM 866 O ASP A 56 -12.487 -7.619 -6.347 1.00 0.00 O ATOM 867 CB ASP A 56 -13.767 -8.063 -9.238 1.00 0.00 C ATOM 868 CG ASP A 56 -13.845 -7.976 -10.761 1.00 0.00 C ATOM 869 OD1 ASP A 56 -13.012 -8.584 -11.415 1.00 0.00 O ATOM 870 OD2 ASP A 56 -14.744 -7.314 -11.250 1.00 0.00 O ATOM 0 H ASP A 56 -11.288 -8.743 -8.293 1.00 0.00 H new ATOM 0 HA ASP A 56 -12.588 -6.252 -9.277 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -13.607 -9.097 -8.934 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -14.713 -7.744 -8.800 1.00 0.00 H new ATOM 875 N PRO A 57 -13.471 -5.709 -6.929 1.00 0.00 N ATOM 876 CA PRO A 57 -13.735 -5.298 -5.521 1.00 0.00 C ATOM 877 C PRO A 57 -14.415 -6.437 -4.766 1.00 0.00 C ATOM 878 O PRO A 57 -14.558 -6.402 -3.548 1.00 0.00 O ATOM 879 CB PRO A 57 -14.671 -4.069 -5.628 1.00 0.00 C ATOM 880 CG PRO A 57 -14.953 -3.858 -7.093 1.00 0.00 C ATOM 881 CD PRO A 57 -13.961 -4.712 -7.892 1.00 0.00 C ATOM 0 HA PRO A 57 -12.821 -5.059 -4.977 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -15.596 -4.240 -5.078 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -14.200 -3.187 -5.195 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -15.978 -4.143 -7.329 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -14.847 -2.805 -7.354 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -14.445 -5.189 -8.744 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -13.145 -4.107 -8.286 1.00 0.00 H new ATOM 889 N ALA A 58 -14.842 -7.436 -5.523 1.00 0.00 N ATOM 890 CA ALA A 58 -15.512 -8.596 -4.957 1.00 0.00 C ATOM 891 C ALA A 58 -14.485 -9.568 -4.394 1.00 0.00 C ATOM 892 O ALA A 58 -14.831 -10.556 -3.746 1.00 0.00 O ATOM 893 CB ALA A 58 -16.325 -9.293 -6.046 1.00 0.00 C ATOM 0 H ALA A 58 -14.735 -7.466 -6.537 1.00 0.00 H new ATOM 0 HA ALA A 58 -16.173 -8.270 -4.154 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -16.828 -10.163 -5.624 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -17.068 -8.602 -6.444 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -15.660 -9.612 -6.848 1.00 0.00 H new ATOM 899 N LYS A 59 -13.214 -9.281 -4.672 1.00 0.00 N ATOM 900 CA LYS A 59 -12.107 -10.130 -4.225 1.00 0.00 C ATOM 901 C LYS A 59 -11.222 -9.396 -3.211 1.00 0.00 C ATOM 902 O LYS A 59 -10.009 -9.308 -3.387 1.00 0.00 O ATOM 903 CB LYS A 59 -11.263 -10.530 -5.442 1.00 0.00 C ATOM 904 CG LYS A 59 -12.062 -11.486 -6.339 1.00 0.00 C ATOM 905 CD LYS A 59 -11.218 -11.889 -7.559 1.00 0.00 C ATOM 906 CE LYS A 59 -11.988 -12.912 -8.401 1.00 0.00 C ATOM 907 NZ LYS A 59 -13.035 -12.212 -9.196 1.00 0.00 N ATOM 0 H LYS A 59 -12.923 -8.463 -5.207 1.00 0.00 H new ATOM 0 HA LYS A 59 -12.519 -11.015 -3.740 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -10.977 -9.642 -6.005 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.341 -11.010 -5.114 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -12.348 -12.374 -5.775 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -12.984 -11.006 -6.667 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -10.986 -11.010 -8.160 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.268 -12.312 -7.233 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -11.304 -13.441 -9.065 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -12.446 -13.660 -7.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -13.524 -12.898 -9.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -13.722 -11.769 -8.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -12.591 -11.479 -9.786 1.00 0.00 H new ATOM 921 N ARG A 60 -11.836 -8.872 -2.153 1.00 0.00 N ATOM 922 CA ARG A 60 -11.084 -8.150 -1.121 1.00 0.00 C ATOM 923 C ARG A 60 -10.189 -9.083 -0.298 1.00 0.00 C ATOM 924 O ARG A 60 -9.010 -8.802 -0.102 1.00 0.00 O ATOM 925 CB ARG A 60 -12.060 -7.414 -0.198 1.00 0.00 C ATOM 926 CG ARG A 60 -12.605 -6.181 -0.922 1.00 0.00 C ATOM 927 CD ARG A 60 -13.749 -5.567 -0.116 1.00 0.00 C ATOM 928 NE ARG A 60 -14.918 -6.438 -0.174 1.00 0.00 N ATOM 929 CZ ARG A 60 -16.088 -6.052 0.321 1.00 0.00 C ATOM 930 NH1 ARG A 60 -16.618 -4.925 -0.067 1.00 0.00 N ATOM 931 NH2 ARG A 60 -16.711 -6.801 1.189 1.00 0.00 N ATOM 0 H ARG A 60 -12.840 -8.931 -1.985 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.432 -7.435 -1.623 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -12.879 -8.075 0.086 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -11.556 -7.117 0.722 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -11.810 -5.448 -1.058 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -12.957 -6.458 -1.916 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -13.441 -5.425 0.920 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -13.998 -4.582 -0.512 1.00 0.00 H new ATOM 0 HE ARG A 60 -14.835 -7.360 -0.602 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -16.134 -4.342 -0.750 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -17.517 -4.627 0.312 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -16.299 -7.685 1.488 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -17.610 -6.503 1.568 1.00 0.00 H new ATOM 945 N ARG A 61 -10.751 -10.177 0.198 1.00 0.00 N ATOM 946 CA ARG A 61 -9.970 -11.105 1.016 1.00 0.00 C ATOM 947 C ARG A 61 -8.732 -11.550 0.266 1.00 0.00 C ATOM 948 O ARG A 61 -7.623 -11.555 0.806 1.00 0.00 O ATOM 949 CB ARG A 61 -10.808 -12.330 1.337 1.00 0.00 C ATOM 950 CG ARG A 61 -10.096 -13.193 2.378 1.00 0.00 C ATOM 951 CD ARG A 61 -10.903 -14.470 2.618 1.00 0.00 C ATOM 952 NE ARG A 61 -10.916 -15.291 1.409 1.00 0.00 N ATOM 953 CZ ARG A 61 -9.956 -16.180 1.166 1.00 0.00 C ATOM 954 NH1 ARG A 61 -9.797 -17.200 1.964 1.00 0.00 N ATOM 955 NH2 ARG A 61 -9.173 -16.035 0.131 1.00 0.00 N ATOM 0 H ARG A 61 -11.725 -10.444 0.054 1.00 0.00 H new ATOM 0 HA ARG A 61 -9.678 -10.597 1.935 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -11.785 -12.024 1.713 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -10.982 -12.909 0.430 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -9.092 -13.443 2.034 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -9.985 -12.640 3.310 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -10.470 -15.033 3.445 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -11.923 -14.216 2.905 1.00 0.00 H new ATOM 0 HE ARG A 61 -11.676 -15.180 0.738 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -10.408 -17.315 2.773 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.062 -17.882 1.779 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.296 -15.238 -0.494 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -8.438 -16.718 -0.052 1.00 0.00 H new ATOM 969 N HIS A 62 -8.935 -11.918 -0.984 1.00 0.00 N ATOM 970 CA HIS A 62 -7.848 -12.370 -1.826 1.00 0.00 C ATOM 971 C HIS A 62 -6.874 -11.223 -2.095 1.00 0.00 C ATOM 972 O HIS A 62 -5.673 -11.434 -2.206 1.00 0.00 O ATOM 973 CB HIS A 62 -8.426 -12.886 -3.151 1.00 0.00 C ATOM 974 CG HIS A 62 -8.862 -14.319 -2.997 1.00 0.00 C ATOM 975 ND1 HIS A 62 -9.970 -14.882 -2.414 1.00 0.00 N flip ATOM 976 CD2 HIS A 62 -8.107 -15.375 -3.479 1.00 0.00 C flip ATOM 977 CE1 HIS A 62 -9.905 -16.267 -2.529 1.00 0.00 C flip ATOM 978 NE2 HIS A 62 -8.764 -16.511 -3.181 1.00 0.00 N flip ATOM 0 H HIS A 62 -9.848 -11.912 -1.439 1.00 0.00 H new ATOM 0 HA HIS A 62 -7.307 -13.171 -1.322 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -9.273 -12.270 -3.453 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -7.677 -12.807 -3.939 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -7.163 -15.301 -3.999 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -10.622 -16.990 -2.169 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -8.432 -17.444 -3.423 1.00 0.00 H new ATOM 986 N ASN A 63 -7.408 -10.011 -2.204 1.00 0.00 N ATOM 987 CA ASN A 63 -6.583 -8.830 -2.466 1.00 0.00 C ATOM 988 C ASN A 63 -5.623 -8.593 -1.320 1.00 0.00 C ATOM 989 O ASN A 63 -4.454 -8.266 -1.530 1.00 0.00 O ATOM 990 CB ASN A 63 -7.484 -7.607 -2.634 1.00 0.00 C ATOM 991 CG ASN A 63 -6.662 -6.340 -2.866 1.00 0.00 C ATOM 992 OD1 ASN A 63 -5.714 -6.063 -2.127 1.00 0.00 O ATOM 993 ND2 ASN A 63 -6.986 -5.542 -3.846 1.00 0.00 N ATOM 0 H ASN A 63 -8.406 -9.818 -2.116 1.00 0.00 H new ATOM 0 HA ASN A 63 -6.010 -8.996 -3.378 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.160 -7.763 -3.474 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -8.103 -7.484 -1.745 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -6.455 -4.686 -4.003 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -7.771 -5.775 -4.455 1.00 0.00 H new ATOM 1000 N PHE A 64 -6.120 -8.761 -0.107 1.00 0.00 N ATOM 1001 CA PHE A 64 -5.271 -8.560 1.057 1.00 0.00 C ATOM 1002 C PHE A 64 -4.214 -9.661 1.125 1.00 0.00 C ATOM 1003 O PHE A 64 -3.019 -9.382 1.170 1.00 0.00 O ATOM 1004 CB PHE A 64 -6.113 -8.546 2.340 1.00 0.00 C ATOM 1005 CG PHE A 64 -6.846 -7.222 2.467 1.00 0.00 C ATOM 1006 CD1 PHE A 64 -6.136 -6.053 2.771 1.00 0.00 C ATOM 1007 CD2 PHE A 64 -8.235 -7.162 2.280 1.00 0.00 C ATOM 1008 CE1 PHE A 64 -6.812 -4.831 2.885 1.00 0.00 C ATOM 1009 CE2 PHE A 64 -8.909 -5.940 2.397 1.00 0.00 C ATOM 1010 CZ PHE A 64 -8.197 -4.774 2.696 1.00 0.00 C ATOM 0 H PHE A 64 -7.083 -9.029 0.097 1.00 0.00 H new ATOM 0 HA PHE A 64 -4.771 -7.596 0.966 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -6.829 -9.367 2.323 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -5.471 -8.700 3.207 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -5.067 -6.094 2.918 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -8.786 -8.061 2.045 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -6.263 -3.931 3.119 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -9.979 -5.898 2.256 1.00 0.00 H new ATOM 0 HZ PHE A 64 -8.716 -3.831 2.781 1.00 0.00 H new ATOM 1020 N THR A 65 -4.664 -10.913 1.116 1.00 0.00 N ATOM 1021 CA THR A 65 -3.732 -12.032 1.174 1.00 0.00 C ATOM 1022 C THR A 65 -2.732 -11.929 0.036 1.00 0.00 C ATOM 1023 O THR A 65 -1.532 -12.135 0.225 1.00 0.00 O ATOM 1024 CB THR A 65 -4.476 -13.368 1.054 1.00 0.00 C ATOM 1025 OG1 THR A 65 -5.601 -13.371 1.922 1.00 0.00 O ATOM 1026 CG2 THR A 65 -3.531 -14.511 1.439 1.00 0.00 C ATOM 0 H THR A 65 -5.649 -11.174 1.070 1.00 0.00 H new ATOM 0 HA THR A 65 -3.217 -11.993 2.134 1.00 0.00 H new ATOM 0 HB THR A 65 -4.815 -13.502 0.027 1.00 0.00 H new ATOM 0 HG1 THR A 65 -6.346 -12.900 1.494 1.00 0.00 H new ATOM 0 HG21 THR A 65 -4.057 -15.462 1.355 1.00 0.00 H new ATOM 0 HG22 THR A 65 -2.670 -14.512 0.771 1.00 0.00 H new ATOM 0 HG23 THR A 65 -3.193 -14.373 2.466 1.00 0.00 H new ATOM 1034 N LEU A 66 -3.241 -11.618 -1.145 1.00 0.00 N ATOM 1035 CA LEU A 66 -2.404 -11.497 -2.327 1.00 0.00 C ATOM 1036 C LEU A 66 -1.347 -10.424 -2.144 1.00 0.00 C ATOM 1037 O LEU A 66 -0.174 -10.640 -2.440 1.00 0.00 O ATOM 1038 CB LEU A 66 -3.296 -11.136 -3.514 1.00 0.00 C ATOM 1039 CG LEU A 66 -2.480 -10.946 -4.799 1.00 0.00 C ATOM 1040 CD1 LEU A 66 -1.895 -12.285 -5.257 1.00 0.00 C ATOM 1041 CD2 LEU A 66 -3.415 -10.399 -5.880 1.00 0.00 C ATOM 0 H LEU A 66 -4.232 -11.444 -1.311 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.894 -12.445 -2.500 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.036 -11.922 -3.666 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.844 -10.220 -3.292 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.658 -10.254 -4.618 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.318 -12.137 -6.170 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.245 -12.684 -4.478 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.705 -12.989 -5.450 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.857 -10.255 -6.805 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.226 -11.107 -6.052 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.829 -9.445 -5.554 1.00 0.00 H new ATOM 1053 N ALA A 67 -1.762 -9.257 -1.680 1.00 0.00 N ATOM 1054 CA ALA A 67 -0.822 -8.173 -1.494 1.00 0.00 C ATOM 1055 C ALA A 67 0.262 -8.588 -0.524 1.00 0.00 C ATOM 1056 O ALA A 67 1.434 -8.247 -0.696 1.00 0.00 O ATOM 1057 CB ALA A 67 -1.538 -6.941 -0.952 1.00 0.00 C ATOM 0 H ALA A 67 -2.727 -9.041 -1.430 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.375 -7.934 -2.459 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.819 -6.133 -0.817 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.308 -6.628 -1.657 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.000 -7.180 0.006 1.00 0.00 H new ATOM 1063 N PHE A 68 -0.130 -9.339 0.496 1.00 0.00 N ATOM 1064 CA PHE A 68 0.821 -9.799 1.492 1.00 0.00 C ATOM 1065 C PHE A 68 1.589 -11.021 0.991 1.00 0.00 C ATOM 1066 O PHE A 68 2.819 -11.042 1.033 1.00 0.00 O ATOM 1067 CB PHE A 68 0.088 -10.121 2.802 1.00 0.00 C ATOM 1068 CG PHE A 68 -0.578 -8.866 3.355 1.00 0.00 C ATOM 1069 CD1 PHE A 68 0.186 -7.724 3.644 1.00 0.00 C ATOM 1070 CD2 PHE A 68 -1.966 -8.846 3.587 1.00 0.00 C ATOM 1071 CE1 PHE A 68 -0.430 -6.576 4.156 1.00 0.00 C ATOM 1072 CE2 PHE A 68 -2.577 -7.693 4.101 1.00 0.00 C ATOM 1073 CZ PHE A 68 -1.809 -6.558 4.384 1.00 0.00 C ATOM 0 H PHE A 68 -1.092 -9.639 0.653 1.00 0.00 H new ATOM 0 HA PHE A 68 1.544 -9.004 1.676 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.662 -10.893 2.627 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.792 -10.520 3.532 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.252 -7.731 3.471 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.562 -9.720 3.369 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.163 -5.700 4.376 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.642 -7.681 4.279 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.281 -5.670 4.778 1.00 0.00 H new ATOM 1083 N SER A 69 0.874 -12.034 0.519 1.00 0.00 N ATOM 1084 CA SER A 69 1.528 -13.238 0.017 1.00 0.00 C ATOM 1085 C SER A 69 2.429 -12.919 -1.173 1.00 0.00 C ATOM 1086 O SER A 69 3.462 -13.567 -1.373 1.00 0.00 O ATOM 1087 CB SER A 69 0.489 -14.283 -0.396 1.00 0.00 C ATOM 1088 OG SER A 69 -0.116 -14.831 0.767 1.00 0.00 O ATOM 0 H SER A 69 -0.145 -12.049 0.473 1.00 0.00 H new ATOM 0 HA SER A 69 2.142 -13.640 0.823 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.269 -13.827 -1.033 1.00 0.00 H new ATOM 0 HB3 SER A 69 0.963 -15.072 -0.979 1.00 0.00 H new ATOM 0 HG SER A 69 -0.772 -15.511 0.505 1.00 0.00 H new ATOM 1094 N THR A 70 2.054 -11.902 -1.945 1.00 0.00 N ATOM 1095 CA THR A 70 2.867 -11.510 -3.087 1.00 0.00 C ATOM 1096 C THR A 70 4.100 -10.742 -2.625 1.00 0.00 C ATOM 1097 O THR A 70 5.222 -11.050 -3.024 1.00 0.00 O ATOM 1098 CB THR A 70 2.062 -10.649 -4.060 1.00 0.00 C ATOM 1099 OG1 THR A 70 0.939 -11.381 -4.524 1.00 0.00 O ATOM 1100 CG2 THR A 70 2.948 -10.277 -5.250 1.00 0.00 C ATOM 0 H THR A 70 1.210 -11.346 -1.804 1.00 0.00 H new ATOM 0 HA THR A 70 3.182 -12.418 -3.601 1.00 0.00 H new ATOM 0 HB THR A 70 1.722 -9.745 -3.554 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.159 -11.170 -3.970 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.380 -9.663 -5.948 1.00 0.00 H new ATOM 0 HG22 THR A 70 3.815 -9.718 -4.897 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.281 -11.185 -5.753 1.00 0.00 H new ATOM 1108 N ALA A 71 3.882 -9.737 -1.779 1.00 0.00 N ATOM 1109 CA ALA A 71 4.986 -8.931 -1.273 1.00 0.00 C ATOM 1110 C ALA A 71 5.947 -9.782 -0.452 1.00 0.00 C ATOM 1111 O ALA A 71 7.146 -9.508 -0.411 1.00 0.00 O ATOM 1112 CB ALA A 71 4.455 -7.786 -0.411 1.00 0.00 C ATOM 0 H ALA A 71 2.961 -9.465 -1.434 1.00 0.00 H new ATOM 0 HA ALA A 71 5.523 -8.521 -2.128 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.290 -7.192 -0.040 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.799 -7.154 -1.009 1.00 0.00 H new ATOM 0 HB3 ALA A 71 3.897 -8.194 0.432 1.00 0.00 H new ATOM 1118 N GLU A 72 5.421 -10.813 0.203 1.00 0.00 N ATOM 1119 CA GLU A 72 6.263 -11.681 1.013 1.00 0.00 C ATOM 1120 C GLU A 72 7.164 -12.537 0.125 1.00 0.00 C ATOM 1121 O GLU A 72 8.375 -12.589 0.320 1.00 0.00 O ATOM 1122 CB GLU A 72 5.397 -12.586 1.900 1.00 0.00 C ATOM 1123 CG GLU A 72 6.294 -13.433 2.811 1.00 0.00 C ATOM 1124 CD GLU A 72 5.440 -14.330 3.704 1.00 0.00 C ATOM 1125 OE1 GLU A 72 4.252 -14.433 3.442 1.00 0.00 O ATOM 1126 OE2 GLU A 72 5.988 -14.903 4.631 1.00 0.00 O ATOM 0 H GLU A 72 4.432 -11.064 0.189 1.00 0.00 H new ATOM 0 HA GLU A 72 6.889 -11.054 1.647 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.720 -11.980 2.502 1.00 0.00 H new ATOM 0 HB3 GLU A 72 4.778 -13.234 1.279 1.00 0.00 H new ATOM 0 HG2 GLU A 72 6.966 -14.043 2.207 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.918 -12.784 3.425 1.00 0.00 H new ATOM 1133 N LYS A 73 6.577 -13.228 -0.841 1.00 0.00 N ATOM 1134 CA LYS A 73 7.373 -14.086 -1.708 1.00 0.00 C ATOM 1135 C LYS A 73 8.413 -13.266 -2.471 1.00 0.00 C ATOM 1136 O LYS A 73 9.541 -13.715 -2.673 1.00 0.00 O ATOM 1137 CB LYS A 73 6.456 -14.824 -2.695 1.00 0.00 C ATOM 1138 CG LYS A 73 7.264 -15.835 -3.527 1.00 0.00 C ATOM 1139 CD LYS A 73 6.332 -16.599 -4.484 1.00 0.00 C ATOM 1140 CE LYS A 73 7.143 -17.615 -5.299 1.00 0.00 C ATOM 1141 NZ LYS A 73 6.221 -18.405 -6.164 1.00 0.00 N ATOM 0 H LYS A 73 5.577 -13.214 -1.042 1.00 0.00 H new ATOM 0 HA LYS A 73 7.897 -14.815 -1.090 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.666 -15.341 -2.150 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.970 -14.106 -3.356 1.00 0.00 H new ATOM 0 HG2 LYS A 73 8.035 -15.315 -4.096 1.00 0.00 H new ATOM 0 HG3 LYS A 73 7.773 -16.536 -2.866 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.555 -17.111 -3.917 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.830 -15.900 -5.153 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.882 -17.099 -5.912 1.00 0.00 H new ATOM 0 HE3 LYS A 73 7.691 -18.279 -4.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 6.769 -19.094 -6.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.532 -18.908 -5.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.717 -17.765 -6.810 1.00 0.00 H new ATOM 1155 N LEU A 74 8.020 -12.071 -2.906 1.00 0.00 N ATOM 1156 CA LEU A 74 8.913 -11.205 -3.662 1.00 0.00 C ATOM 1157 C LEU A 74 9.907 -10.446 -2.783 1.00 0.00 C ATOM 1158 O LEU A 74 11.085 -10.358 -3.129 1.00 0.00 O ATOM 1159 CB LEU A 74 8.087 -10.201 -4.474 1.00 0.00 C ATOM 1160 CG LEU A 74 7.332 -10.917 -5.612 1.00 0.00 C ATOM 1161 CD1 LEU A 74 6.378 -9.926 -6.297 1.00 0.00 C ATOM 1162 CD2 LEU A 74 8.327 -11.476 -6.652 1.00 0.00 C ATOM 0 H LEU A 74 7.090 -11.683 -2.747 1.00 0.00 H new ATOM 0 HA LEU A 74 9.496 -11.851 -4.318 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.377 -9.694 -3.821 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.741 -9.435 -4.890 1.00 0.00 H new ATOM 0 HG LEU A 74 6.763 -11.745 -5.189 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.844 -10.432 -7.102 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.662 -9.548 -5.568 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.951 -9.095 -6.708 1.00 0.00 H new ATOM 0 HD21 LEU A 74 7.777 -11.978 -7.448 1.00 0.00 H new ATOM 0 HD22 LEU A 74 8.910 -10.658 -7.074 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.997 -12.187 -6.169 1.00 0.00 H new ATOM 1174 N ALA A 75 9.442 -9.859 -1.674 1.00 0.00 N ATOM 1175 CA ALA A 75 10.333 -9.067 -0.811 1.00 0.00 C ATOM 1176 C ALA A 75 10.353 -9.550 0.630 1.00 0.00 C ATOM 1177 O ALA A 75 10.976 -8.907 1.470 1.00 0.00 O ATOM 1178 CB ALA A 75 9.898 -7.603 -0.838 1.00 0.00 C ATOM 0 H ALA A 75 8.475 -9.914 -1.355 1.00 0.00 H new ATOM 0 HA ALA A 75 11.342 -9.185 -1.207 1.00 0.00 H new ATOM 0 HB1 ALA A 75 10.557 -7.016 -0.199 1.00 0.00 H new ATOM 0 HB2 ALA A 75 9.952 -7.226 -1.859 1.00 0.00 H new ATOM 0 HB3 ALA A 75 8.874 -7.521 -0.475 1.00 0.00 H new ATOM 1184 N ASP A 76 9.689 -10.668 0.929 1.00 0.00 N ATOM 1185 CA ASP A 76 9.691 -11.176 2.303 1.00 0.00 C ATOM 1186 C ASP A 76 9.463 -10.029 3.288 1.00 0.00 C ATOM 1187 O ASP A 76 10.128 -9.934 4.317 1.00 0.00 O ATOM 1188 CB ASP A 76 11.028 -11.864 2.579 1.00 0.00 C ATOM 1189 CG ASP A 76 12.145 -10.832 2.688 1.00 0.00 C ATOM 1190 OD1 ASP A 76 12.722 -10.503 1.664 1.00 0.00 O ATOM 1191 OD2 ASP A 76 12.397 -10.373 3.790 1.00 0.00 O ATOM 0 H ASP A 76 9.157 -11.226 0.261 1.00 0.00 H new ATOM 0 HA ASP A 76 8.884 -11.897 2.429 1.00 0.00 H new ATOM 0 HB2 ASP A 76 10.964 -12.439 3.503 1.00 0.00 H new ATOM 0 HB3 ASP A 76 11.253 -12.570 1.779 1.00 0.00 H new ATOM 1196 N CYS A 77 8.537 -9.151 2.924 1.00 0.00 N ATOM 1197 CA CYS A 77 8.219 -7.976 3.730 1.00 0.00 C ATOM 1198 C CYS A 77 7.771 -8.341 5.147 1.00 0.00 C ATOM 1199 O CYS A 77 7.983 -9.461 5.617 1.00 0.00 O ATOM 1200 CB CYS A 77 7.112 -7.176 3.037 1.00 0.00 C ATOM 1201 SG CYS A 77 5.551 -8.088 3.138 1.00 0.00 S ATOM 0 H CYS A 77 7.988 -9.231 2.068 1.00 0.00 H new ATOM 0 HA CYS A 77 9.129 -7.382 3.820 1.00 0.00 H new ATOM 0 HB2 CYS A 77 7.005 -6.199 3.509 1.00 0.00 H new ATOM 0 HB3 CYS A 77 7.375 -6.999 1.994 1.00 0.00 H new ATOM 0 HG CYS A 77 5.123 -8.080 4.365 1.00 0.00 H new ATOM 1207 N ALA A 78 7.142 -7.371 5.806 1.00 0.00 N ATOM 1208 CA ALA A 78 6.641 -7.551 7.168 1.00 0.00 C ATOM 1209 C ALA A 78 5.246 -8.173 7.139 1.00 0.00 C ATOM 1210 O ALA A 78 4.634 -8.297 6.077 1.00 0.00 O ATOM 1211 CB ALA A 78 6.584 -6.194 7.883 1.00 0.00 C ATOM 0 H ALA A 78 6.966 -6.445 5.416 1.00 0.00 H new ATOM 0 HA ALA A 78 7.316 -8.217 7.706 1.00 0.00 H new ATOM 0 HB1 ALA A 78 6.210 -6.333 8.897 1.00 0.00 H new ATOM 0 HB2 ALA A 78 7.583 -5.760 7.921 1.00 0.00 H new ATOM 0 HB3 ALA A 78 5.918 -5.524 7.339 1.00 0.00 H new ATOM 1217 N GLN A 79 4.746 -8.566 8.311 1.00 0.00 N ATOM 1218 CA GLN A 79 3.419 -9.179 8.422 1.00 0.00 C ATOM 1219 C GLN A 79 2.645 -8.541 9.568 1.00 0.00 C ATOM 1220 O GLN A 79 1.977 -9.228 10.340 1.00 0.00 O ATOM 1221 CB GLN A 79 3.566 -10.678 8.685 1.00 0.00 C ATOM 1222 CG GLN A 79 4.102 -11.359 7.428 1.00 0.00 C ATOM 1223 CD GLN A 79 4.255 -12.859 7.668 1.00 0.00 C ATOM 1224 OE1 GLN A 79 4.703 -13.287 8.818 1.00 0.00 O flip ATOM 1225 NE2 GLN A 79 3.956 -13.663 6.786 1.00 0.00 N flip ATOM 0 H GLN A 79 5.239 -8.471 9.199 1.00 0.00 H new ATOM 0 HA GLN A 79 2.877 -9.022 7.489 1.00 0.00 H new ATOM 0 HB2 GLN A 79 4.244 -10.848 9.522 1.00 0.00 H new ATOM 0 HB3 GLN A 79 2.603 -11.107 8.963 1.00 0.00 H new ATOM 0 HG2 GLN A 79 3.424 -11.184 6.593 1.00 0.00 H new ATOM 0 HG3 GLN A 79 5.064 -10.927 7.153 1.00 0.00 H new ATOM 0 HE21 GLN A 79 3.606 -13.328 5.888 1.00 0.00 H new ATOM 0 HE22 GLN A 79 4.058 -14.664 6.953 1.00 0.00 H new ATOM 1234 N LEU A 80 2.760 -7.225 9.684 1.00 0.00 N ATOM 1235 CA LEU A 80 2.093 -6.498 10.761 1.00 0.00 C ATOM 1236 C LEU A 80 0.569 -6.549 10.613 1.00 0.00 C ATOM 1237 O LEU A 80 -0.158 -6.365 11.591 1.00 0.00 O ATOM 1238 CB LEU A 80 2.522 -5.019 10.758 1.00 0.00 C ATOM 1239 CG LEU A 80 4.024 -4.880 10.503 1.00 0.00 C ATOM 1240 CD1 LEU A 80 4.394 -3.402 10.582 1.00 0.00 C ATOM 1241 CD2 LEU A 80 4.826 -5.652 11.545 1.00 0.00 C ATOM 0 H LEU A 80 3.305 -6.640 9.051 1.00 0.00 H new ATOM 0 HA LEU A 80 2.383 -6.978 11.696 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.968 -4.478 9.990 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.269 -4.562 11.715 1.00 0.00 H new ATOM 0 HG LEU A 80 4.257 -5.286 9.518 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.463 -3.284 10.402 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.836 -2.846 9.828 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.148 -3.018 11.572 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.891 -5.538 11.342 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.602 -5.263 12.538 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.559 -6.708 11.500 1.00 0.00 H new ATOM 1253 N LEU A 81 0.079 -6.778 9.388 1.00 0.00 N ATOM 1254 CA LEU A 81 -1.381 -6.821 9.132 1.00 0.00 C ATOM 1255 C LEU A 81 -1.850 -8.205 8.691 1.00 0.00 C ATOM 1256 O LEU A 81 -1.166 -8.903 7.944 1.00 0.00 O ATOM 1257 CB LEU A 81 -1.767 -5.806 8.030 1.00 0.00 C ATOM 1258 CG LEU A 81 -0.859 -4.581 8.091 1.00 0.00 C ATOM 1259 CD1 LEU A 81 -1.165 -3.658 6.912 1.00 0.00 C ATOM 1260 CD2 LEU A 81 -1.111 -3.828 9.390 1.00 0.00 C ATOM 0 H LEU A 81 0.657 -6.936 8.563 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.868 -6.569 10.074 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.688 -6.276 7.050 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.806 -5.502 8.155 1.00 0.00 H new ATOM 0 HG LEU A 81 0.182 -4.901 8.046 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.516 -2.783 6.957 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.991 -4.192 5.978 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.206 -3.340 6.960 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.463 -2.953 9.435 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.153 -3.511 9.430 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.898 -4.481 10.236 1.00 0.00 H new ATOM 1272 N GLU A 82 -3.051 -8.571 9.144 1.00 0.00 N ATOM 1273 CA GLU A 82 -3.660 -9.855 8.796 1.00 0.00 C ATOM 1274 C GLU A 82 -4.893 -9.637 7.924 1.00 0.00 C ATOM 1275 O GLU A 82 -5.639 -8.677 8.102 1.00 0.00 O ATOM 1276 CB GLU A 82 -4.046 -10.604 10.066 1.00 0.00 C ATOM 1277 CG GLU A 82 -2.775 -10.988 10.822 1.00 0.00 C ATOM 1278 CD GLU A 82 -3.133 -11.646 12.147 1.00 0.00 C ATOM 1279 OE1 GLU A 82 -4.315 -11.777 12.422 1.00 0.00 O ATOM 1280 OE2 GLU A 82 -2.221 -12.009 12.871 1.00 0.00 O ATOM 0 H GLU A 82 -3.624 -7.991 9.757 1.00 0.00 H new ATOM 0 HA GLU A 82 -2.937 -10.448 8.236 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -4.683 -9.980 10.693 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.620 -11.496 9.817 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -2.176 -11.670 10.219 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -2.167 -10.101 11.000 1.00 0.00 H new ATOM 1287 N VAL A 83 -5.089 -10.531 6.970 1.00 0.00 N ATOM 1288 CA VAL A 83 -6.211 -10.435 6.043 1.00 0.00 C ATOM 1289 C VAL A 83 -7.547 -10.425 6.785 1.00 0.00 C ATOM 1290 O VAL A 83 -8.392 -9.559 6.557 1.00 0.00 O ATOM 1291 CB VAL A 83 -6.154 -11.656 5.120 1.00 0.00 C ATOM 1292 CG1 VAL A 83 -7.387 -11.692 4.202 1.00 0.00 C ATOM 1293 CG2 VAL A 83 -4.853 -11.612 4.298 1.00 0.00 C ATOM 0 H VAL A 83 -4.484 -11.337 6.814 1.00 0.00 H new ATOM 0 HA VAL A 83 -6.137 -9.505 5.480 1.00 0.00 H new ATOM 0 HB VAL A 83 -6.161 -12.566 5.719 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.332 -12.565 3.552 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -8.291 -11.748 4.809 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.414 -10.788 3.593 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.809 -12.480 3.640 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.831 -10.701 3.700 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.996 -11.624 4.972 1.00 0.00 H new ATOM 1303 N ASP A 84 -7.737 -11.403 7.652 1.00 0.00 N ATOM 1304 CA ASP A 84 -8.981 -11.518 8.400 1.00 0.00 C ATOM 1305 C ASP A 84 -9.308 -10.225 9.140 1.00 0.00 C ATOM 1306 O ASP A 84 -10.448 -9.761 9.119 1.00 0.00 O ATOM 1307 CB ASP A 84 -8.861 -12.662 9.406 1.00 0.00 C ATOM 1308 CG ASP A 84 -8.502 -13.951 8.679 1.00 0.00 C ATOM 1309 OD1 ASP A 84 -9.108 -14.217 7.653 1.00 0.00 O ATOM 1310 OD2 ASP A 84 -7.623 -14.653 9.153 1.00 0.00 O ATOM 0 H ASP A 84 -7.050 -12.128 7.857 1.00 0.00 H new ATOM 0 HA ASP A 84 -9.787 -11.718 7.694 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -8.098 -12.427 10.148 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -9.801 -12.786 9.943 1.00 0.00 H new ATOM 1315 N ASP A 85 -8.309 -9.653 9.798 1.00 0.00 N ATOM 1316 CA ASP A 85 -8.520 -8.422 10.542 1.00 0.00 C ATOM 1317 C ASP A 85 -8.865 -7.282 9.594 1.00 0.00 C ATOM 1318 O ASP A 85 -9.758 -6.483 9.862 1.00 0.00 O ATOM 1319 CB ASP A 85 -7.246 -8.078 11.335 1.00 0.00 C ATOM 1320 CG ASP A 85 -6.264 -7.274 10.473 1.00 0.00 C ATOM 1321 OD1 ASP A 85 -6.606 -6.164 10.101 1.00 0.00 O ATOM 1322 OD2 ASP A 85 -5.195 -7.777 10.197 1.00 0.00 O ATOM 0 H ASP A 85 -7.357 -10.017 9.831 1.00 0.00 H new ATOM 0 HA ASP A 85 -9.352 -8.562 11.233 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -7.510 -7.504 12.224 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -6.768 -8.995 11.678 1.00 0.00 H new ATOM 1327 N MET A 86 -8.143 -7.218 8.482 1.00 0.00 N ATOM 1328 CA MET A 86 -8.374 -6.171 7.506 1.00 0.00 C ATOM 1329 C MET A 86 -9.781 -6.294 6.960 1.00 0.00 C ATOM 1330 O MET A 86 -10.508 -5.309 6.839 1.00 0.00 O ATOM 1331 CB MET A 86 -7.372 -6.323 6.351 1.00 0.00 C ATOM 1332 CG MET A 86 -5.962 -5.829 6.771 1.00 0.00 C ATOM 1333 SD MET A 86 -5.222 -4.898 5.409 1.00 0.00 S ATOM 1334 CE MET A 86 -5.902 -3.283 5.869 1.00 0.00 C ATOM 0 H MET A 86 -7.401 -7.874 8.239 1.00 0.00 H new ATOM 0 HA MET A 86 -8.247 -5.198 7.980 1.00 0.00 H new ATOM 0 HB2 MET A 86 -7.319 -7.368 6.045 1.00 0.00 H new ATOM 0 HB3 MET A 86 -7.718 -5.755 5.487 1.00 0.00 H new ATOM 0 HG2 MET A 86 -6.034 -5.201 7.659 1.00 0.00 H new ATOM 0 HG3 MET A 86 -5.330 -6.678 7.032 1.00 0.00 H new ATOM 0 HE1 MET A 86 -6.065 -2.688 4.971 1.00 0.00 H new ATOM 0 HE2 MET A 86 -6.850 -3.422 6.389 1.00 0.00 H new ATOM 0 HE3 MET A 86 -5.201 -2.766 6.524 1.00 0.00 H new ATOM 1344 N VAL A 87 -10.150 -7.523 6.651 1.00 0.00 N ATOM 1345 CA VAL A 87 -11.471 -7.819 6.128 1.00 0.00 C ATOM 1346 C VAL A 87 -12.535 -7.615 7.203 1.00 0.00 C ATOM 1347 O VAL A 87 -13.609 -7.078 6.931 1.00 0.00 O ATOM 1348 CB VAL A 87 -11.502 -9.261 5.622 1.00 0.00 C ATOM 1349 CG1 VAL A 87 -12.933 -9.651 5.236 1.00 0.00 C ATOM 1350 CG2 VAL A 87 -10.587 -9.379 4.399 1.00 0.00 C ATOM 0 H VAL A 87 -9.547 -8.339 6.754 1.00 0.00 H new ATOM 0 HA VAL A 87 -11.687 -7.139 5.304 1.00 0.00 H new ATOM 0 HB VAL A 87 -11.156 -9.931 6.409 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -12.945 -10.680 4.877 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -13.582 -9.563 6.108 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -13.291 -8.987 4.449 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -10.602 -10.405 4.031 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -10.938 -8.707 3.616 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.569 -9.109 4.679 1.00 0.00 H new ATOM 1360 N ARG A 88 -12.239 -8.057 8.422 1.00 0.00 N ATOM 1361 CA ARG A 88 -13.171 -7.929 9.525 1.00 0.00 C ATOM 1362 C ARG A 88 -13.309 -6.482 9.985 1.00 0.00 C ATOM 1363 O ARG A 88 -14.419 -5.982 10.166 1.00 0.00 O ATOM 1364 CB ARG A 88 -12.670 -8.798 10.686 1.00 0.00 C ATOM 1365 CG ARG A 88 -13.524 -8.556 11.924 1.00 0.00 C ATOM 1366 CD ARG A 88 -13.181 -9.577 13.005 1.00 0.00 C ATOM 1367 NE ARG A 88 -11.811 -9.383 13.463 1.00 0.00 N ATOM 1368 CZ ARG A 88 -11.248 -10.219 14.329 1.00 0.00 C ATOM 1369 NH1 ARG A 88 -11.391 -11.508 14.178 1.00 0.00 N ATOM 1370 NH2 ARG A 88 -10.554 -9.751 15.329 1.00 0.00 N ATOM 0 H ARG A 88 -11.357 -8.507 8.666 1.00 0.00 H new ATOM 0 HA ARG A 88 -14.155 -8.259 9.192 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -12.710 -9.851 10.407 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -11.627 -8.565 10.902 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -13.356 -7.547 12.300 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -14.581 -8.629 11.666 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -13.870 -9.476 13.843 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -13.302 -10.587 12.613 1.00 0.00 H new ATOM 0 HE ARG A 88 -11.274 -8.590 13.112 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -11.935 -11.873 13.396 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -10.959 -12.150 14.842 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -10.444 -8.744 15.446 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -10.122 -10.392 15.994 1.00 0.00 H new ATOM 1384 N LEU A 89 -12.178 -5.824 10.188 1.00 0.00 N ATOM 1385 CA LEU A 89 -12.196 -4.445 10.645 1.00 0.00 C ATOM 1386 C LEU A 89 -12.825 -3.547 9.587 1.00 0.00 C ATOM 1387 O LEU A 89 -13.710 -2.741 9.880 1.00 0.00 O ATOM 1388 CB LEU A 89 -10.761 -3.976 10.921 1.00 0.00 C ATOM 1389 CG LEU A 89 -10.177 -4.714 12.142 1.00 0.00 C ATOM 1390 CD1 LEU A 89 -8.667 -4.450 12.219 1.00 0.00 C ATOM 1391 CD2 LEU A 89 -10.846 -4.224 13.440 1.00 0.00 C ATOM 0 H LEU A 89 -11.248 -6.217 10.045 1.00 0.00 H new ATOM 0 HA LEU A 89 -12.786 -4.385 11.560 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.138 -4.159 10.046 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.752 -2.901 11.100 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.365 -5.782 12.031 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.250 -4.970 13.081 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -8.187 -4.813 11.310 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -8.490 -3.379 12.321 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -10.421 -4.756 14.291 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -10.673 -3.154 13.557 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -11.918 -4.415 13.391 1.00 0.00 H new ATOM 1403 N ALA A 90 -12.318 -3.661 8.366 1.00 0.00 N ATOM 1404 CA ALA A 90 -12.791 -2.820 7.278 1.00 0.00 C ATOM 1405 C ALA A 90 -12.490 -1.374 7.655 1.00 0.00 C ATOM 1406 O ALA A 90 -13.127 -0.433 7.182 1.00 0.00 O ATOM 1407 CB ALA A 90 -14.296 -3.018 7.053 1.00 0.00 C ATOM 0 H ALA A 90 -11.586 -4.322 8.107 1.00 0.00 H new ATOM 0 HA ALA A 90 -12.289 -3.084 6.347 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -14.629 -2.379 6.235 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -14.492 -4.061 6.803 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -14.837 -2.755 7.962 1.00 0.00 H new ATOM 1413 N VAL A 91 -11.483 -1.244 8.521 1.00 0.00 N ATOM 1414 CA VAL A 91 -11.021 0.048 9.024 1.00 0.00 C ATOM 1415 C VAL A 91 -9.614 -0.105 9.620 1.00 0.00 C ATOM 1416 O VAL A 91 -9.477 -0.370 10.813 1.00 0.00 O ATOM 1417 CB VAL A 91 -11.974 0.560 10.123 1.00 0.00 C ATOM 1418 CG1 VAL A 91 -11.379 1.817 10.785 1.00 0.00 C ATOM 1419 CG2 VAL A 91 -13.339 0.909 9.514 1.00 0.00 C ATOM 0 H VAL A 91 -10.963 -2.038 8.894 1.00 0.00 H new ATOM 0 HA VAL A 91 -11.001 0.759 8.198 1.00 0.00 H new ATOM 0 HB VAL A 91 -12.101 -0.223 10.871 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -12.056 2.175 11.561 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -10.415 1.572 11.230 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -11.245 2.595 10.034 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -14.005 1.270 10.297 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -13.213 1.685 8.759 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -13.769 0.020 9.052 1.00 0.00 H new ATOM 1429 N PRO A 92 -8.570 0.051 8.836 1.00 0.00 N ATOM 1430 CA PRO A 92 -7.177 -0.078 9.345 1.00 0.00 C ATOM 1431 C PRO A 92 -6.787 1.124 10.200 1.00 0.00 C ATOM 1432 O PRO A 92 -7.603 2.006 10.459 1.00 0.00 O ATOM 1433 CB PRO A 92 -6.296 -0.183 8.078 1.00 0.00 C ATOM 1434 CG PRO A 92 -7.231 -0.124 6.896 1.00 0.00 C ATOM 1435 CD PRO A 92 -8.592 0.367 7.405 1.00 0.00 C ATOM 0 HA PRO A 92 -7.058 -0.947 9.992 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -5.573 0.632 8.041 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -5.728 -1.114 8.077 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -6.842 0.550 6.133 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -7.327 -1.107 6.434 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -8.720 1.436 7.234 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -9.414 -0.138 6.897 1.00 0.00 H new ATOM 1443 N ASP A 93 -5.525 1.152 10.620 1.00 0.00 N ATOM 1444 CA ASP A 93 -5.013 2.251 11.434 1.00 0.00 C ATOM 1445 C ASP A 93 -3.870 2.956 10.710 1.00 0.00 C ATOM 1446 O ASP A 93 -2.940 2.322 10.216 1.00 0.00 O ATOM 1447 CB ASP A 93 -4.546 1.719 12.789 1.00 0.00 C ATOM 1448 CG ASP A 93 -5.757 1.317 13.629 1.00 0.00 C ATOM 1449 OD1 ASP A 93 -6.859 1.689 13.260 1.00 0.00 O ATOM 1450 OD2 ASP A 93 -5.566 0.640 14.625 1.00 0.00 O ATOM 0 H ASP A 93 -4.839 0.427 10.410 1.00 0.00 H new ATOM 0 HA ASP A 93 -5.811 2.975 11.599 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -3.889 0.861 12.647 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -3.967 2.481 13.310 1.00 0.00 H new ATOM 1455 N SER A 94 -3.971 4.276 10.631 1.00 0.00 N ATOM 1456 CA SER A 94 -2.965 5.080 9.945 1.00 0.00 C ATOM 1457 C SER A 94 -1.562 4.681 10.377 1.00 0.00 C ATOM 1458 O SER A 94 -0.615 4.748 9.595 1.00 0.00 O ATOM 1459 CB SER A 94 -3.190 6.560 10.250 1.00 0.00 C ATOM 1460 OG SER A 94 -2.253 7.337 9.517 1.00 0.00 O ATOM 0 H SER A 94 -4.739 4.814 11.033 1.00 0.00 H new ATOM 0 HA SER A 94 -3.061 4.905 8.873 1.00 0.00 H new ATOM 0 HB2 SER A 94 -4.207 6.848 9.983 1.00 0.00 H new ATOM 0 HB3 SER A 94 -3.077 6.745 11.318 1.00 0.00 H new ATOM 0 HG SER A 94 -2.395 8.287 9.709 1.00 0.00 H new ATOM 1466 N LYS A 95 -1.438 4.256 11.624 1.00 0.00 N ATOM 1467 CA LYS A 95 -0.151 3.835 12.143 1.00 0.00 C ATOM 1468 C LYS A 95 0.215 2.463 11.601 1.00 0.00 C ATOM 1469 O LYS A 95 1.383 2.171 11.365 1.00 0.00 O ATOM 1470 CB LYS A 95 -0.198 3.773 13.668 1.00 0.00 C ATOM 1471 CG LYS A 95 1.210 3.534 14.225 1.00 0.00 C ATOM 1472 CD LYS A 95 1.157 3.527 15.758 1.00 0.00 C ATOM 1473 CE LYS A 95 2.558 3.277 16.326 1.00 0.00 C ATOM 1474 NZ LYS A 95 3.440 4.430 15.997 1.00 0.00 N ATOM 0 H LYS A 95 -2.208 4.194 12.290 1.00 0.00 H new ATOM 0 HA LYS A 95 0.600 4.559 11.828 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -0.603 4.704 14.066 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -0.865 2.973 13.988 1.00 0.00 H new ATOM 0 HG2 LYS A 95 1.601 2.585 13.859 1.00 0.00 H new ATOM 0 HG3 LYS A 95 1.888 4.313 13.877 1.00 0.00 H new ATOM 0 HD2 LYS A 95 0.772 4.480 16.122 1.00 0.00 H new ATOM 0 HD3 LYS A 95 0.471 2.753 16.104 1.00 0.00 H new ATOM 0 HE2 LYS A 95 2.505 3.142 17.406 1.00 0.00 H new ATOM 0 HE3 LYS A 95 2.972 2.358 15.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 4.274 4.418 16.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 3.746 4.361 15.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 2.917 5.318 16.137 1.00 0.00 H new ATOM 1488 N CYS A 96 -0.794 1.614 11.418 1.00 0.00 N ATOM 1489 CA CYS A 96 -0.554 0.270 10.920 1.00 0.00 C ATOM 1490 C CYS A 96 -0.052 0.303 9.481 1.00 0.00 C ATOM 1491 O CYS A 96 0.996 -0.260 9.159 1.00 0.00 O ATOM 1492 CB CYS A 96 -1.848 -0.556 10.996 1.00 0.00 C ATOM 1493 SG CYS A 96 -2.004 -1.299 12.636 1.00 0.00 S ATOM 0 H CYS A 96 -1.772 1.833 11.606 1.00 0.00 H new ATOM 0 HA CYS A 96 0.212 -0.192 11.543 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -2.709 0.080 10.792 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -1.839 -1.335 10.233 1.00 0.00 H new ATOM 0 HG CYS A 96 -3.101 -1.994 12.695 1.00 0.00 H new ATOM 1499 N VAL A 97 -0.812 0.973 8.624 1.00 0.00 N ATOM 1500 CA VAL A 97 -0.447 1.092 7.224 1.00 0.00 C ATOM 1501 C VAL A 97 0.888 1.793 7.129 1.00 0.00 C ATOM 1502 O VAL A 97 1.767 1.390 6.375 1.00 0.00 O ATOM 1503 CB VAL A 97 -1.496 1.917 6.476 1.00 0.00 C ATOM 1504 CG1 VAL A 97 -1.074 2.087 5.016 1.00 0.00 C ATOM 1505 CG2 VAL A 97 -2.852 1.212 6.542 1.00 0.00 C ATOM 0 H VAL A 97 -1.683 1.440 8.876 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.389 0.099 6.779 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.579 2.899 6.943 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.824 2.675 4.487 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.113 2.600 4.972 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.984 1.107 4.547 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -3.596 1.803 6.008 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.773 0.227 6.082 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -3.155 1.103 7.583 1.00 0.00 H new ATOM 1515 N TYR A 98 1.034 2.849 7.913 1.00 0.00 N ATOM 1516 CA TYR A 98 2.265 3.612 7.917 1.00 0.00 C ATOM 1517 C TYR A 98 3.437 2.716 8.279 1.00 0.00 C ATOM 1518 O TYR A 98 4.444 2.682 7.578 1.00 0.00 O ATOM 1519 CB TYR A 98 2.154 4.740 8.947 1.00 0.00 C ATOM 1520 CG TYR A 98 3.493 5.418 9.109 1.00 0.00 C ATOM 1521 CD1 TYR A 98 4.426 4.906 10.018 1.00 0.00 C ATOM 1522 CD2 TYR A 98 3.799 6.546 8.350 1.00 0.00 C ATOM 1523 CE1 TYR A 98 5.672 5.525 10.164 1.00 0.00 C ATOM 1524 CE2 TYR A 98 5.047 7.170 8.498 1.00 0.00 C ATOM 1525 CZ TYR A 98 5.982 6.657 9.405 1.00 0.00 C ATOM 1526 OH TYR A 98 7.213 7.265 9.545 1.00 0.00 O ATOM 0 H TYR A 98 0.317 3.194 8.551 1.00 0.00 H new ATOM 0 HA TYR A 98 2.430 4.028 6.923 1.00 0.00 H new ATOM 0 HB2 TYR A 98 1.405 5.465 8.627 1.00 0.00 H new ATOM 0 HB3 TYR A 98 1.821 4.339 9.904 1.00 0.00 H new ATOM 0 HD1 TYR A 98 4.184 4.033 10.607 1.00 0.00 H new ATOM 0 HD2 TYR A 98 3.077 6.939 7.649 1.00 0.00 H new ATOM 0 HE1 TYR A 98 6.394 5.128 10.863 1.00 0.00 H new ATOM 0 HE2 TYR A 98 5.286 8.046 7.913 1.00 0.00 H new ATOM 0 HH TYR A 98 7.267 8.037 8.944 1.00 0.00 H new ATOM 1536 N THR A 99 3.289 1.986 9.374 1.00 0.00 N ATOM 1537 CA THR A 99 4.344 1.095 9.818 1.00 0.00 C ATOM 1538 C THR A 99 4.664 0.082 8.732 1.00 0.00 C ATOM 1539 O THR A 99 5.829 -0.222 8.481 1.00 0.00 O ATOM 1540 CB THR A 99 3.923 0.365 11.097 1.00 0.00 C ATOM 1541 OG1 THR A 99 3.430 1.309 12.038 1.00 0.00 O ATOM 1542 CG2 THR A 99 5.129 -0.364 11.691 1.00 0.00 C ATOM 0 H THR A 99 2.457 1.994 9.964 1.00 0.00 H new ATOM 0 HA THR A 99 5.233 1.690 10.027 1.00 0.00 H new ATOM 0 HB THR A 99 3.142 -0.359 10.862 1.00 0.00 H new ATOM 0 HG1 THR A 99 2.473 1.454 11.885 1.00 0.00 H new ATOM 0 HG21 THR A 99 4.828 -0.883 12.601 1.00 0.00 H new ATOM 0 HG22 THR A 99 5.509 -1.087 10.969 1.00 0.00 H new ATOM 0 HG23 THR A 99 5.911 0.358 11.927 1.00 0.00 H new ATOM 1550 N TYR A 100 3.630 -0.440 8.088 1.00 0.00 N ATOM 1551 CA TYR A 100 3.812 -1.416 7.023 1.00 0.00 C ATOM 1552 C TYR A 100 4.594 -0.802 5.872 1.00 0.00 C ATOM 1553 O TYR A 100 5.590 -1.355 5.405 1.00 0.00 O ATOM 1554 CB TYR A 100 2.439 -1.829 6.505 1.00 0.00 C ATOM 1555 CG TYR A 100 2.595 -2.982 5.552 1.00 0.00 C ATOM 1556 CD1 TYR A 100 2.845 -2.740 4.199 1.00 0.00 C ATOM 1557 CD2 TYR A 100 2.482 -4.292 6.023 1.00 0.00 C ATOM 1558 CE1 TYR A 100 2.982 -3.815 3.311 1.00 0.00 C ATOM 1559 CE2 TYR A 100 2.621 -5.368 5.139 1.00 0.00 C ATOM 1560 CZ TYR A 100 2.870 -5.128 3.781 1.00 0.00 C ATOM 1561 OH TYR A 100 3.004 -6.188 2.907 1.00 0.00 O ATOM 0 H TYR A 100 2.657 -0.204 8.284 1.00 0.00 H new ATOM 0 HA TYR A 100 4.359 -2.274 7.413 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.794 -2.114 7.336 1.00 0.00 H new ATOM 0 HB3 TYR A 100 1.959 -0.989 6.003 1.00 0.00 H new ATOM 0 HD1 TYR A 100 2.933 -1.726 3.838 1.00 0.00 H new ATOM 0 HD2 TYR A 100 2.287 -4.475 7.069 1.00 0.00 H new ATOM 0 HE1 TYR A 100 3.174 -3.630 2.264 1.00 0.00 H new ATOM 0 HE2 TYR A 100 2.537 -6.381 5.503 1.00 0.00 H new ATOM 0 HH TYR A 100 3.825 -6.682 3.115 1.00 0.00 H new ATOM 1571 N ILE A 101 4.119 0.358 5.427 1.00 0.00 N ATOM 1572 CA ILE A 101 4.749 1.083 4.335 1.00 0.00 C ATOM 1573 C ILE A 101 6.170 1.454 4.738 1.00 0.00 C ATOM 1574 O ILE A 101 7.101 1.354 3.943 1.00 0.00 O ATOM 1575 CB ILE A 101 3.939 2.350 4.009 1.00 0.00 C ATOM 1576 CG1 ILE A 101 2.565 1.972 3.402 1.00 0.00 C ATOM 1577 CG2 ILE A 101 4.713 3.241 3.033 1.00 0.00 C ATOM 1578 CD1 ILE A 101 2.725 1.155 2.109 1.00 0.00 C ATOM 0 H ILE A 101 3.293 0.816 5.812 1.00 0.00 H new ATOM 0 HA ILE A 101 4.778 0.454 3.445 1.00 0.00 H new ATOM 0 HB ILE A 101 3.775 2.900 4.935 1.00 0.00 H new ATOM 0 HG12 ILE A 101 1.991 1.397 4.128 1.00 0.00 H new ATOM 0 HG13 ILE A 101 1.997 2.878 3.193 1.00 0.00 H new ATOM 0 HG21 ILE A 101 4.127 4.133 2.812 1.00 0.00 H new ATOM 0 HG22 ILE A 101 5.663 3.532 3.481 1.00 0.00 H new ATOM 0 HG23 ILE A 101 4.901 2.692 2.110 1.00 0.00 H new ATOM 0 HD11 ILE A 101 1.741 0.907 1.711 1.00 0.00 H new ATOM 0 HD12 ILE A 101 3.277 1.741 1.374 1.00 0.00 H new ATOM 0 HD13 ILE A 101 3.271 0.236 2.324 1.00 0.00 H new ATOM 1590 N GLN A 102 6.315 1.873 5.985 1.00 0.00 N ATOM 1591 CA GLN A 102 7.618 2.257 6.519 1.00 0.00 C ATOM 1592 C GLN A 102 8.651 1.175 6.243 1.00 0.00 C ATOM 1593 O GLN A 102 9.653 1.408 5.566 1.00 0.00 O ATOM 1594 CB GLN A 102 7.516 2.451 8.031 1.00 0.00 C ATOM 1595 CG GLN A 102 8.774 3.161 8.537 1.00 0.00 C ATOM 1596 CD GLN A 102 8.746 3.261 10.059 1.00 0.00 C ATOM 1597 OE1 GLN A 102 8.768 4.360 10.610 1.00 0.00 O ATOM 1598 NE2 GLN A 102 8.701 2.169 10.776 1.00 0.00 N ATOM 0 H GLN A 102 5.546 1.957 6.650 1.00 0.00 H new ATOM 0 HA GLN A 102 7.925 3.184 6.035 1.00 0.00 H new ATOM 0 HB2 GLN A 102 6.631 3.038 8.275 1.00 0.00 H new ATOM 0 HB3 GLN A 102 7.405 1.486 8.526 1.00 0.00 H new ATOM 0 HG2 GLN A 102 9.662 2.615 8.217 1.00 0.00 H new ATOM 0 HG3 GLN A 102 8.838 4.158 8.101 1.00 0.00 H new ATOM 0 HE21 GLN A 102 8.683 1.258 10.317 1.00 0.00 H new ATOM 0 HE22 GLN A 102 8.684 2.228 11.794 1.00 0.00 H new ATOM 1607 N GLU A 103 8.410 -0.004 6.799 1.00 0.00 N ATOM 1608 CA GLU A 103 9.341 -1.106 6.626 1.00 0.00 C ATOM 1609 C GLU A 103 9.484 -1.431 5.146 1.00 0.00 C ATOM 1610 O GLU A 103 10.593 -1.605 4.636 1.00 0.00 O ATOM 1611 CB GLU A 103 8.837 -2.336 7.389 1.00 0.00 C ATOM 1612 CG GLU A 103 9.918 -3.417 7.400 1.00 0.00 C ATOM 1613 CD GLU A 103 11.047 -3.013 8.345 1.00 0.00 C ATOM 1614 OE1 GLU A 103 10.885 -2.026 9.043 1.00 0.00 O ATOM 1615 OE2 GLU A 103 12.057 -3.697 8.353 1.00 0.00 O ATOM 0 H GLU A 103 7.590 -0.219 7.366 1.00 0.00 H new ATOM 0 HA GLU A 103 10.315 -0.819 7.022 1.00 0.00 H new ATOM 0 HB2 GLU A 103 8.576 -2.060 8.410 1.00 0.00 H new ATOM 0 HB3 GLU A 103 7.931 -2.720 6.921 1.00 0.00 H new ATOM 0 HG2 GLU A 103 9.490 -4.368 7.716 1.00 0.00 H new ATOM 0 HG3 GLU A 103 10.309 -3.563 6.393 1.00 0.00 H new ATOM 1622 N LEU A 104 8.354 -1.512 4.464 1.00 0.00 N ATOM 1623 CA LEU A 104 8.340 -1.821 3.044 1.00 0.00 C ATOM 1624 C LEU A 104 9.109 -0.770 2.256 1.00 0.00 C ATOM 1625 O LEU A 104 9.906 -1.096 1.379 1.00 0.00 O ATOM 1626 CB LEU A 104 6.889 -1.817 2.579 1.00 0.00 C ATOM 1627 CG LEU A 104 6.762 -2.292 1.122 1.00 0.00 C ATOM 1628 CD1 LEU A 104 6.867 -3.821 1.050 1.00 0.00 C ATOM 1629 CD2 LEU A 104 5.404 -1.848 0.570 1.00 0.00 C ATOM 0 H LEU A 104 7.431 -1.367 4.873 1.00 0.00 H new ATOM 0 HA LEU A 104 8.809 -2.791 2.879 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.297 -2.464 3.226 1.00 0.00 H new ATOM 0 HB3 LEU A 104 6.479 -0.811 2.672 1.00 0.00 H new ATOM 0 HG LEU A 104 7.567 -1.856 0.531 1.00 0.00 H new ATOM 0 HD11 LEU A 104 6.775 -4.144 0.013 1.00 0.00 H new ATOM 0 HD12 LEU A 104 7.832 -4.138 1.445 1.00 0.00 H new ATOM 0 HD13 LEU A 104 6.068 -4.269 1.641 1.00 0.00 H new ATOM 0 HD21 LEU A 104 5.305 -2.181 -0.463 1.00 0.00 H new ATOM 0 HD22 LEU A 104 4.606 -2.286 1.170 1.00 0.00 H new ATOM 0 HD23 LEU A 104 5.333 -0.761 0.610 1.00 0.00 H new ATOM 1641 N TYR A 105 8.859 0.488 2.580 1.00 0.00 N ATOM 1642 CA TYR A 105 9.514 1.594 1.899 1.00 0.00 C ATOM 1643 C TYR A 105 11.012 1.397 1.949 1.00 0.00 C ATOM 1644 O TYR A 105 11.715 1.551 0.951 1.00 0.00 O ATOM 1645 CB TYR A 105 9.156 2.892 2.615 1.00 0.00 C ATOM 1646 CG TYR A 105 9.829 4.058 1.937 1.00 0.00 C ATOM 1647 CD1 TYR A 105 9.398 4.469 0.672 1.00 0.00 C ATOM 1648 CD2 TYR A 105 10.878 4.735 2.575 1.00 0.00 C ATOM 1649 CE1 TYR A 105 10.014 5.555 0.042 1.00 0.00 C ATOM 1650 CE2 TYR A 105 11.494 5.821 1.945 1.00 0.00 C ATOM 1651 CZ TYR A 105 11.062 6.231 0.678 1.00 0.00 C ATOM 1652 OH TYR A 105 11.667 7.302 0.056 1.00 0.00 O ATOM 0 H TYR A 105 8.206 0.770 3.311 1.00 0.00 H new ATOM 0 HA TYR A 105 9.187 1.636 0.860 1.00 0.00 H new ATOM 0 HB2 TYR A 105 8.075 3.033 2.611 1.00 0.00 H new ATOM 0 HB3 TYR A 105 9.467 2.839 3.658 1.00 0.00 H new ATOM 0 HD1 TYR A 105 8.589 3.948 0.181 1.00 0.00 H new ATOM 0 HD2 TYR A 105 11.210 4.418 3.553 1.00 0.00 H new ATOM 0 HE1 TYR A 105 9.681 5.872 -0.935 1.00 0.00 H new ATOM 0 HE2 TYR A 105 12.302 6.343 2.435 1.00 0.00 H new ATOM 0 HH TYR A 105 12.374 7.659 0.633 1.00 0.00 H new ATOM 1662 N ARG A 106 11.486 1.084 3.134 1.00 0.00 N ATOM 1663 CA ARG A 106 12.903 0.892 3.351 1.00 0.00 C ATOM 1664 C ARG A 106 13.431 -0.265 2.513 1.00 0.00 C ATOM 1665 O ARG A 106 14.536 -0.191 1.984 1.00 0.00 O ATOM 1666 CB ARG A 106 13.138 0.648 4.836 1.00 0.00 C ATOM 1667 CG ARG A 106 12.850 1.954 5.584 1.00 0.00 C ATOM 1668 CD ARG A 106 13.013 1.740 7.085 1.00 0.00 C ATOM 1669 NE ARG A 106 14.394 1.398 7.394 1.00 0.00 N ATOM 1670 CZ ARG A 106 14.751 1.044 8.621 1.00 0.00 C ATOM 1671 NH1 ARG A 106 14.786 1.935 9.573 1.00 0.00 N ATOM 1672 NH2 ARG A 106 15.061 -0.197 8.874 1.00 0.00 N ATOM 0 H ARG A 106 10.909 0.957 3.965 1.00 0.00 H new ATOM 0 HA ARG A 106 13.446 1.784 3.040 1.00 0.00 H new ATOM 0 HB2 ARG A 106 12.489 -0.149 5.198 1.00 0.00 H new ATOM 0 HB3 ARG A 106 14.165 0.327 5.011 1.00 0.00 H new ATOM 0 HG2 ARG A 106 13.529 2.736 5.244 1.00 0.00 H new ATOM 0 HG3 ARG A 106 11.838 2.293 5.364 1.00 0.00 H new ATOM 0 HD2 ARG A 106 12.725 2.643 7.623 1.00 0.00 H new ATOM 0 HD3 ARG A 106 12.349 0.944 7.421 1.00 0.00 H new ATOM 0 HE ARG A 106 15.097 1.431 6.656 1.00 0.00 H new ATOM 0 HH11 ARG A 106 14.539 2.904 9.374 1.00 0.00 H new ATOM 0 HH12 ARG A 106 15.061 1.662 10.517 1.00 0.00 H new ATOM 0 HH21 ARG A 106 15.029 -0.893 8.129 1.00 0.00 H new ATOM 0 HH22 ARG A 106 15.336 -0.472 9.817 1.00 0.00 H new ATOM 1686 N SER A 107 12.639 -1.322 2.373 1.00 0.00 N ATOM 1687 CA SER A 107 13.067 -2.460 1.567 1.00 0.00 C ATOM 1688 C SER A 107 13.308 -2.008 0.122 1.00 0.00 C ATOM 1689 O SER A 107 14.273 -2.420 -0.519 1.00 0.00 O ATOM 1690 CB SER A 107 12.009 -3.561 1.592 1.00 0.00 C ATOM 1691 OG SER A 107 12.486 -4.684 0.859 1.00 0.00 O ATOM 0 H SER A 107 11.716 -1.415 2.797 1.00 0.00 H new ATOM 0 HA SER A 107 13.993 -2.855 1.984 1.00 0.00 H new ATOM 0 HB2 SER A 107 11.790 -3.849 2.620 1.00 0.00 H new ATOM 0 HB3 SER A 107 11.078 -3.197 1.158 1.00 0.00 H new ATOM 0 HG SER A 107 11.811 -5.394 0.873 1.00 0.00 H new ATOM 1697 N LEU A 108 12.419 -1.159 -0.388 1.00 0.00 N ATOM 1698 CA LEU A 108 12.547 -0.647 -1.749 1.00 0.00 C ATOM 1699 C LEU A 108 13.752 0.278 -1.880 1.00 0.00 C ATOM 1700 O LEU A 108 14.417 0.309 -2.914 1.00 0.00 O ATOM 1701 CB LEU A 108 11.301 0.146 -2.150 1.00 0.00 C ATOM 1702 CG LEU A 108 10.028 -0.667 -1.902 1.00 0.00 C ATOM 1703 CD1 LEU A 108 8.810 0.254 -2.038 1.00 0.00 C ATOM 1704 CD2 LEU A 108 9.916 -1.799 -2.929 1.00 0.00 C ATOM 0 H LEU A 108 11.605 -0.812 0.119 1.00 0.00 H new ATOM 0 HA LEU A 108 12.672 -1.511 -2.401 1.00 0.00 H new ATOM 0 HB2 LEU A 108 11.259 1.075 -1.582 1.00 0.00 H new ATOM 0 HB3 LEU A 108 11.363 0.419 -3.204 1.00 0.00 H new ATOM 0 HG LEU A 108 10.067 -1.095 -0.900 1.00 0.00 H new ATOM 0 HD11 LEU A 108 7.899 -0.319 -1.863 1.00 0.00 H new ATOM 0 HD12 LEU A 108 8.879 1.059 -1.306 1.00 0.00 H new ATOM 0 HD13 LEU A 108 8.784 0.678 -3.042 1.00 0.00 H new ATOM 0 HD21 LEU A 108 9.007 -2.371 -2.743 1.00 0.00 H new ATOM 0 HD22 LEU A 108 9.880 -1.377 -3.933 1.00 0.00 H new ATOM 0 HD23 LEU A 108 10.782 -2.456 -2.842 1.00 0.00 H new ATOM 1716 N VAL A 109 13.995 1.074 -0.841 1.00 0.00 N ATOM 1717 CA VAL A 109 15.090 2.028 -0.875 1.00 0.00 C ATOM 1718 C VAL A 109 16.434 1.320 -0.960 1.00 0.00 C ATOM 1719 O VAL A 109 17.269 1.664 -1.797 1.00 0.00 O ATOM 1720 CB VAL A 109 15.030 2.915 0.376 1.00 0.00 C ATOM 1721 CG1 VAL A 109 16.301 3.760 0.478 1.00 0.00 C ATOM 1722 CG2 VAL A 109 13.814 3.842 0.278 1.00 0.00 C ATOM 0 H VAL A 109 13.453 1.075 0.023 1.00 0.00 H new ATOM 0 HA VAL A 109 14.987 2.647 -1.766 1.00 0.00 H new ATOM 0 HB VAL A 109 14.947 2.284 1.261 1.00 0.00 H new ATOM 0 HG11 VAL A 109 16.251 4.387 1.368 1.00 0.00 H new ATOM 0 HG12 VAL A 109 17.169 3.105 0.544 1.00 0.00 H new ATOM 0 HG13 VAL A 109 16.390 4.392 -0.406 1.00 0.00 H new ATOM 0 HG21 VAL A 109 13.766 4.475 1.164 1.00 0.00 H new ATOM 0 HG22 VAL A 109 13.904 4.468 -0.610 1.00 0.00 H new ATOM 0 HG23 VAL A 109 12.905 3.244 0.210 1.00 0.00 H new ATOM 1732 N GLN A 110 16.633 0.327 -0.103 1.00 0.00 N ATOM 1733 CA GLN A 110 17.880 -0.418 -0.117 1.00 0.00 C ATOM 1734 C GLN A 110 18.002 -1.180 -1.420 1.00 0.00 C ATOM 1735 O GLN A 110 19.077 -1.243 -2.020 1.00 0.00 O ATOM 1736 CB GLN A 110 17.947 -1.389 1.072 1.00 0.00 C ATOM 1737 CG GLN A 110 16.767 -2.370 1.025 1.00 0.00 C ATOM 1738 CD GLN A 110 16.759 -3.272 2.257 1.00 0.00 C ATOM 1739 OE1 GLN A 110 16.920 -2.798 3.380 1.00 0.00 O ATOM 1740 NE2 GLN A 110 16.565 -4.559 2.109 1.00 0.00 N ATOM 0 H GLN A 110 15.958 0.024 0.599 1.00 0.00 H new ATOM 0 HA GLN A 110 18.709 0.284 -0.030 1.00 0.00 H new ATOM 0 HB2 GLN A 110 18.888 -1.939 1.048 1.00 0.00 H new ATOM 0 HB3 GLN A 110 17.928 -0.831 2.008 1.00 0.00 H new ATOM 0 HG2 GLN A 110 15.830 -1.816 0.969 1.00 0.00 H new ATOM 0 HG3 GLN A 110 16.831 -2.979 0.124 1.00 0.00 H new ATOM 0 HE21 GLN A 110 16.432 -4.951 1.177 1.00 0.00 H new ATOM 0 HE22 GLN A 110 16.547 -5.169 2.926 1.00 0.00 H new ATOM 1749 N LYS A 111 16.889 -1.760 -1.853 1.00 0.00 N ATOM 1750 CA LYS A 111 16.861 -2.521 -3.087 1.00 0.00 C ATOM 1751 C LYS A 111 17.208 -1.622 -4.271 1.00 0.00 C ATOM 1752 O LYS A 111 17.717 -2.090 -5.287 1.00 0.00 O ATOM 1753 CB LYS A 111 15.471 -3.160 -3.290 1.00 0.00 C ATOM 1754 CG LYS A 111 15.332 -4.431 -2.431 1.00 0.00 C ATOM 1755 CD LYS A 111 13.905 -4.988 -2.555 1.00 0.00 C ATOM 1756 CE LYS A 111 13.733 -6.194 -1.621 1.00 0.00 C ATOM 1757 NZ LYS A 111 14.668 -7.281 -2.026 1.00 0.00 N ATOM 0 H LYS A 111 15.995 -1.715 -1.364 1.00 0.00 H new ATOM 0 HA LYS A 111 17.604 -3.316 -3.023 1.00 0.00 H new ATOM 0 HB2 LYS A 111 14.693 -2.445 -3.022 1.00 0.00 H new ATOM 0 HB3 LYS A 111 15.328 -3.407 -4.342 1.00 0.00 H new ATOM 0 HG2 LYS A 111 16.054 -5.181 -2.754 1.00 0.00 H new ATOM 0 HG3 LYS A 111 15.554 -4.203 -1.389 1.00 0.00 H new ATOM 0 HD2 LYS A 111 13.180 -4.214 -2.302 1.00 0.00 H new ATOM 0 HD3 LYS A 111 13.709 -5.284 -3.586 1.00 0.00 H new ATOM 0 HE2 LYS A 111 13.928 -5.898 -0.590 1.00 0.00 H new ATOM 0 HE3 LYS A 111 12.704 -6.553 -1.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 14.383 -8.172 -1.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 14.640 -7.396 -3.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 15.635 -7.035 -1.731 1.00 0.00 H new ATOM 1771 N GLY A 112 16.907 -0.331 -4.142 1.00 0.00 N ATOM 1772 CA GLY A 112 17.171 0.625 -5.218 1.00 0.00 C ATOM 1773 C GLY A 112 15.977 0.682 -6.158 1.00 0.00 C ATOM 1774 O GLY A 112 16.061 1.190 -7.278 1.00 0.00 O ATOM 0 H GLY A 112 16.483 0.076 -3.309 1.00 0.00 H new ATOM 0 HA2 GLY A 112 17.365 1.613 -4.800 1.00 0.00 H new ATOM 0 HA3 GLY A 112 18.065 0.331 -5.768 1.00 0.00 H new ATOM 1778 N LEU A 113 14.864 0.160 -5.663 1.00 0.00 N ATOM 1779 CA LEU A 113 13.611 0.140 -6.404 1.00 0.00 C ATOM 1780 C LEU A 113 12.994 1.540 -6.473 1.00 0.00 C ATOM 1781 O LEU A 113 12.500 1.963 -7.517 1.00 0.00 O ATOM 1782 CB LEU A 113 12.650 -0.829 -5.707 1.00 0.00 C ATOM 1783 CG LEU A 113 12.953 -2.281 -6.118 1.00 0.00 C ATOM 1784 CD1 LEU A 113 12.211 -3.231 -5.171 1.00 0.00 C ATOM 1785 CD2 LEU A 113 12.490 -2.537 -7.569 1.00 0.00 C ATOM 0 H LEU A 113 14.804 -0.262 -4.736 1.00 0.00 H new ATOM 0 HA LEU A 113 13.799 -0.189 -7.426 1.00 0.00 H new ATOM 0 HB2 LEU A 113 12.741 -0.725 -4.626 1.00 0.00 H new ATOM 0 HB3 LEU A 113 11.621 -0.579 -5.966 1.00 0.00 H new ATOM 0 HG LEU A 113 14.028 -2.454 -6.058 1.00 0.00 H new ATOM 0 HD11 LEU A 113 12.419 -4.263 -5.454 1.00 0.00 H new ATOM 0 HD12 LEU A 113 12.547 -3.060 -4.148 1.00 0.00 H new ATOM 0 HD13 LEU A 113 11.139 -3.046 -5.237 1.00 0.00 H new ATOM 0 HD21 LEU A 113 12.711 -3.568 -7.845 1.00 0.00 H new ATOM 0 HD22 LEU A 113 11.417 -2.363 -7.644 1.00 0.00 H new ATOM 0 HD23 LEU A 113 13.015 -1.860 -8.243 1.00 0.00 H new ATOM 1797 N VAL A 114 13.013 2.240 -5.344 1.00 0.00 N ATOM 1798 CA VAL A 114 12.441 3.585 -5.271 1.00 0.00 C ATOM 1799 C VAL A 114 13.264 4.585 -6.092 1.00 0.00 C ATOM 1800 O VAL A 114 12.720 5.535 -6.655 1.00 0.00 O ATOM 1801 CB VAL A 114 12.315 4.022 -3.788 1.00 0.00 C ATOM 1802 CG1 VAL A 114 12.370 5.553 -3.657 1.00 0.00 C ATOM 1803 CG2 VAL A 114 10.977 3.514 -3.208 1.00 0.00 C ATOM 0 H VAL A 114 13.415 1.903 -4.469 1.00 0.00 H new ATOM 0 HA VAL A 114 11.443 3.568 -5.708 1.00 0.00 H new ATOM 0 HB VAL A 114 13.151 3.593 -3.236 1.00 0.00 H new ATOM 0 HG11 VAL A 114 12.279 5.832 -2.607 1.00 0.00 H new ATOM 0 HG12 VAL A 114 13.319 5.918 -4.049 1.00 0.00 H new ATOM 0 HG13 VAL A 114 11.550 5.996 -4.222 1.00 0.00 H new ATOM 0 HG21 VAL A 114 10.892 3.823 -2.166 1.00 0.00 H new ATOM 0 HG22 VAL A 114 10.150 3.934 -3.780 1.00 0.00 H new ATOM 0 HG23 VAL A 114 10.944 2.426 -3.268 1.00 0.00 H new