USER MOD reduce.3.24.130724 H: found=0, std=0, add=685, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 687 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 83 HIS : no HD1:sc= -0.757 K(o=-0.35,f=-2.4!) USER MOD Set 1.2: A 100 THR OG1 : rot 73:sc= 0.407 USER MOD Set 2.1: A 87 SER OG : rot 102:sc= 1.92 USER MOD Set 2.2: A 98 ASN : amide:sc= 0.225 K(o=2.1,f=-4!) USER MOD Single : A 8 THR OG1 : rot 129:sc= 0.268 USER MOD Single : A 11 GLN : amide:sc= -0.11 X(o=-0.11,f=-0.58) USER MOD Single : A 14 ASN : amide:sc= -0.0283 X(o=-0.028,f=0) USER MOD Single : A 32 SER OG : rot 32:sc= 0.175 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HE2:sc= 0.433 K(o=0.43,f=-1.4!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -172:sc= -0.0127 (180deg=-0.112) USER MOD Single : A 54 GLN : amide:sc= -2.07 K(o=-2.1,f=-8.9!) USER MOD Single : A 59 GLN : amide:sc= 0.873 K(o=0.87,f=-5.3!) USER MOD Single : A 62 TYR OH : rot 180:sc= -1.67! USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 74:sc= 1.2 USER MOD Single : A 71 SER OG : rot -170:sc= -0.0109 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.0118 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -0.777 K(o=-0.78,f=0.18) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc= 1.94 K(o=1.9,f=-2.5!) USER MOD Single : A 92 SER OG : rot -23:sc= 0.132 USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 LYS NZ :NH3+ -175:sc= -0.255 (180deg=-0.275) USER MOD ----------------------------------------------------------------- ATOM 120 N THR A 8 1.107 12.557 -3.978 1.00 0.00 N ATOM 121 CA THR A 8 1.720 11.265 -3.724 1.00 0.00 C ATOM 122 C THR A 8 0.973 10.510 -2.625 1.00 0.00 C ATOM 123 O THR A 8 0.086 11.067 -1.971 1.00 0.00 O ATOM 124 CB THR A 8 3.207 11.425 -3.350 1.00 0.00 C ATOM 125 OG1 THR A 8 3.388 12.619 -2.578 1.00 0.00 O ATOM 126 CG2 THR A 8 4.080 11.487 -4.594 1.00 0.00 C ATOM 0 HA THR A 8 1.657 10.682 -4.643 1.00 0.00 H new ATOM 0 HB THR A 8 3.505 10.557 -2.762 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.884 12.407 -1.760 1.00 0.00 H new ATOM 0 HG21 THR A 8 5.124 11.600 -4.301 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.962 10.568 -5.168 1.00 0.00 H new ATOM 0 HG23 THR A 8 3.781 12.338 -5.206 1.00 0.00 H new ATOM 134 N VAL A 9 1.336 9.245 -2.434 1.00 0.00 N ATOM 135 CA VAL A 9 0.644 8.370 -1.494 1.00 0.00 C ATOM 136 C VAL A 9 0.600 8.959 -0.085 1.00 0.00 C ATOM 137 O VAL A 9 -0.475 9.128 0.490 1.00 0.00 O ATOM 138 CB VAL A 9 1.300 6.974 -1.441 1.00 0.00 C ATOM 139 CG1 VAL A 9 0.559 6.065 -0.474 1.00 0.00 C ATOM 140 CG2 VAL A 9 1.346 6.349 -2.826 1.00 0.00 C ATOM 0 H VAL A 9 2.113 8.800 -2.923 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.378 8.275 -1.861 1.00 0.00 H new ATOM 0 HB VAL A 9 2.322 7.095 -1.083 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.039 5.087 -0.453 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.581 6.501 0.525 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.476 5.954 -0.799 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.812 5.366 -2.766 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.332 6.247 -3.213 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.927 6.986 -3.493 1.00 0.00 H new ATOM 150 N GLU A 10 1.762 9.298 0.458 1.00 0.00 N ATOM 151 CA GLU A 10 1.845 9.732 1.847 1.00 0.00 C ATOM 152 C GLU A 10 1.195 11.101 2.070 1.00 0.00 C ATOM 153 O GLU A 10 0.797 11.422 3.189 1.00 0.00 O ATOM 154 CB GLU A 10 3.300 9.706 2.345 1.00 0.00 C ATOM 155 CG GLU A 10 4.338 10.188 1.338 1.00 0.00 C ATOM 156 CD GLU A 10 4.223 11.661 1.025 1.00 0.00 C ATOM 157 OE1 GLU A 10 4.555 12.486 1.903 1.00 0.00 O ATOM 158 OE2 GLU A 10 3.787 11.998 -0.092 1.00 0.00 O ATOM 0 H GLU A 10 2.654 9.281 -0.037 1.00 0.00 H new ATOM 0 HA GLU A 10 1.273 9.020 2.442 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.372 10.323 3.241 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.549 8.686 2.639 1.00 0.00 H new ATOM 0 HG2 GLU A 10 5.335 9.982 1.727 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.232 9.618 0.415 1.00 0.00 H new ATOM 165 N GLN A 11 1.062 11.889 1.007 1.00 0.00 N ATOM 166 CA GLN A 11 0.387 13.181 1.098 1.00 0.00 C ATOM 167 C GLN A 11 -1.059 12.999 1.536 1.00 0.00 C ATOM 168 O GLN A 11 -1.534 13.670 2.453 1.00 0.00 O ATOM 169 CB GLN A 11 0.427 13.917 -0.244 1.00 0.00 C ATOM 170 CG GLN A 11 1.814 14.369 -0.648 1.00 0.00 C ATOM 171 CD GLN A 11 2.418 15.346 0.337 1.00 0.00 C ATOM 172 OE1 GLN A 11 1.713 16.145 0.955 1.00 0.00 O ATOM 173 NE2 GLN A 11 3.723 15.266 0.511 1.00 0.00 N ATOM 0 H GLN A 11 1.411 11.658 0.077 1.00 0.00 H new ATOM 0 HA GLN A 11 0.914 13.779 1.841 1.00 0.00 H new ATOM 0 HB2 GLN A 11 0.027 13.263 -1.019 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.228 14.787 -0.191 1.00 0.00 H new ATOM 0 HG2 GLN A 11 2.464 13.499 -0.736 1.00 0.00 H new ATOM 0 HG3 GLN A 11 1.768 14.834 -1.633 1.00 0.00 H new ATOM 0 HE21 GLN A 11 4.268 14.589 -0.023 1.00 0.00 H new ATOM 0 HE22 GLN A 11 4.187 15.881 1.179 1.00 0.00 H new ATOM 182 N TRP A 12 -1.755 12.091 0.872 1.00 0.00 N ATOM 183 CA TRP A 12 -3.135 11.795 1.214 1.00 0.00 C ATOM 184 C TRP A 12 -3.192 10.925 2.461 1.00 0.00 C ATOM 185 O TRP A 12 -3.987 11.175 3.366 1.00 0.00 O ATOM 186 CB TRP A 12 -3.823 11.090 0.042 1.00 0.00 C ATOM 187 CG TRP A 12 -5.232 10.650 0.330 1.00 0.00 C ATOM 188 CD1 TRP A 12 -6.363 11.407 0.244 1.00 0.00 C ATOM 189 CD2 TRP A 12 -5.655 9.344 0.744 1.00 0.00 C ATOM 190 NE1 TRP A 12 -7.463 10.654 0.576 1.00 0.00 N ATOM 191 CE2 TRP A 12 -7.053 9.384 0.888 1.00 0.00 C ATOM 192 CE3 TRP A 12 -4.983 8.145 1.002 1.00 0.00 C ATOM 193 CZ2 TRP A 12 -7.792 8.270 1.285 1.00 0.00 C ATOM 194 CZ3 TRP A 12 -5.716 7.043 1.396 1.00 0.00 C ATOM 195 CH2 TRP A 12 -7.107 7.109 1.532 1.00 0.00 C ATOM 0 H TRP A 12 -1.386 11.546 0.093 1.00 0.00 H new ATOM 0 HA TRP A 12 -3.658 12.729 1.419 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -3.832 11.761 -0.817 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -3.233 10.219 -0.241 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -6.390 12.448 -0.043 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -8.427 10.986 0.588 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -3.910 8.082 0.895 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -8.865 8.320 1.394 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -5.206 6.114 1.603 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -7.651 6.228 1.838 1.00 0.00 H new ATOM 206 N LEU A 13 -2.315 9.930 2.504 1.00 0.00 N ATOM 207 CA LEU A 13 -2.315 8.936 3.568 1.00 0.00 C ATOM 208 C LEU A 13 -2.104 9.579 4.937 1.00 0.00 C ATOM 209 O LEU A 13 -2.858 9.312 5.871 1.00 0.00 O ATOM 210 CB LEU A 13 -1.233 7.889 3.295 1.00 0.00 C ATOM 211 CG LEU A 13 -1.307 6.627 4.158 1.00 0.00 C ATOM 212 CD1 LEU A 13 -2.632 5.910 3.945 1.00 0.00 C ATOM 213 CD2 LEU A 13 -0.147 5.700 3.836 1.00 0.00 C ATOM 0 H LEU A 13 -1.586 9.790 1.804 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.291 8.451 3.583 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.292 7.596 2.247 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.258 8.353 3.442 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.239 6.921 5.205 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.666 5.015 4.567 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.453 6.573 4.218 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.728 5.627 2.897 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.212 4.807 4.457 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.190 5.415 2.785 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.794 6.212 4.035 1.00 0.00 H new ATOM 225 N ASN A 14 -1.095 10.439 5.052 1.00 0.00 N ATOM 226 CA ASN A 14 -0.789 11.082 6.330 1.00 0.00 C ATOM 227 C ASN A 14 -1.956 11.949 6.783 1.00 0.00 C ATOM 228 O ASN A 14 -2.359 11.901 7.948 1.00 0.00 O ATOM 229 CB ASN A 14 0.482 11.929 6.232 1.00 0.00 C ATOM 230 CG ASN A 14 0.893 12.532 7.568 1.00 0.00 C ATOM 231 OD1 ASN A 14 1.618 11.913 8.345 1.00 0.00 O ATOM 232 ND2 ASN A 14 0.436 13.747 7.847 1.00 0.00 N ATOM 0 H ASN A 14 -0.479 10.706 4.284 1.00 0.00 H new ATOM 0 HA ASN A 14 -0.622 10.296 7.066 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.296 11.312 5.851 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.325 12.730 5.510 1.00 0.00 H new ATOM 0 HD21 ASN A 14 0.685 14.195 8.729 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -0.164 14.232 7.179 1.00 0.00 H new ATOM 239 N ARG A 15 -2.503 12.724 5.854 1.00 0.00 N ATOM 240 CA ARG A 15 -3.627 13.602 6.157 1.00 0.00 C ATOM 241 C ARG A 15 -4.852 12.796 6.578 1.00 0.00 C ATOM 242 O ARG A 15 -5.441 13.056 7.625 1.00 0.00 O ATOM 243 CB ARG A 15 -3.971 14.480 4.949 1.00 0.00 C ATOM 244 CG ARG A 15 -5.217 15.331 5.154 1.00 0.00 C ATOM 245 CD ARG A 15 -5.499 16.224 3.959 1.00 0.00 C ATOM 246 NE ARG A 15 -5.604 15.470 2.710 1.00 0.00 N ATOM 247 CZ ARG A 15 -6.741 15.296 2.036 1.00 0.00 C ATOM 248 NH1 ARG A 15 -7.887 15.773 2.507 1.00 0.00 N ATOM 249 NH2 ARG A 15 -6.730 14.638 0.885 1.00 0.00 N ATOM 0 H ARG A 15 -2.187 12.762 4.885 1.00 0.00 H new ATOM 0 HA ARG A 15 -3.331 14.244 6.987 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -3.126 15.133 4.732 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -4.115 13.843 4.076 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -6.074 14.682 5.332 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -5.093 15.946 6.045 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -6.426 16.771 4.129 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -4.705 16.965 3.867 1.00 0.00 H new ATOM 0 HE ARG A 15 -4.755 15.051 2.331 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -7.903 16.278 3.393 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -8.751 15.634 1.983 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -5.854 14.267 0.518 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -7.598 14.503 0.366 1.00 0.00 H new ATOM 263 N TRP A 16 -5.213 11.812 5.764 1.00 0.00 N ATOM 264 CA TRP A 16 -6.385 10.986 6.016 1.00 0.00 C ATOM 265 C TRP A 16 -6.281 10.309 7.379 1.00 0.00 C ATOM 266 O TRP A 16 -7.216 10.348 8.176 1.00 0.00 O ATOM 267 CB TRP A 16 -6.532 9.938 4.907 1.00 0.00 C ATOM 268 CG TRP A 16 -7.806 9.152 4.973 1.00 0.00 C ATOM 269 CD1 TRP A 16 -8.016 7.979 5.640 1.00 0.00 C ATOM 270 CD2 TRP A 16 -9.049 9.481 4.340 1.00 0.00 C ATOM 271 NE1 TRP A 16 -9.312 7.562 5.464 1.00 0.00 N ATOM 272 CE2 TRP A 16 -9.966 8.465 4.667 1.00 0.00 C ATOM 273 CE3 TRP A 16 -9.474 10.535 3.524 1.00 0.00 C ATOM 274 CZ2 TRP A 16 -11.283 8.475 4.211 1.00 0.00 C ATOM 275 CZ3 TRP A 16 -10.780 10.543 3.071 1.00 0.00 C ATOM 276 CH2 TRP A 16 -11.671 9.518 3.415 1.00 0.00 C ATOM 0 H TRP A 16 -4.704 11.566 4.915 1.00 0.00 H new ATOM 0 HA TRP A 16 -7.269 11.623 6.019 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -6.476 10.438 3.940 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -5.689 9.249 4.959 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -7.271 7.456 6.221 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -9.722 6.717 5.862 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -8.794 11.329 3.253 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -11.973 7.687 4.477 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -11.119 11.353 2.442 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -12.685 9.552 3.044 1.00 0.00 H new ATOM 541 N SER A 32 -0.967 -3.083 14.702 1.00 0.00 N ATOM 542 CA SER A 32 0.202 -3.530 13.962 1.00 0.00 C ATOM 543 C SER A 32 0.235 -3.012 12.523 1.00 0.00 C ATOM 544 O SER A 32 1.315 -2.875 11.943 1.00 0.00 O ATOM 545 CB SER A 32 0.240 -5.055 13.964 1.00 0.00 C ATOM 546 OG SER A 32 0.178 -5.558 15.287 1.00 0.00 O ATOM 0 HA SER A 32 1.080 -3.120 14.461 1.00 0.00 H new ATOM 0 HB2 SER A 32 -0.595 -5.445 13.382 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.154 -5.401 13.481 1.00 0.00 H new ATOM 0 HG SER A 32 -0.362 -4.956 15.841 1.00 0.00 H new ATOM 552 N TYR A 33 -0.932 -2.715 11.949 1.00 0.00 N ATOM 553 CA TYR A 33 -1.007 -2.378 10.524 1.00 0.00 C ATOM 554 C TYR A 33 -0.263 -1.079 10.217 1.00 0.00 C ATOM 555 O TYR A 33 0.240 -0.896 9.109 1.00 0.00 O ATOM 556 CB TYR A 33 -2.466 -2.294 10.041 1.00 0.00 C ATOM 557 CG TYR A 33 -3.119 -0.934 10.186 1.00 0.00 C ATOM 558 CD1 TYR A 33 -3.780 -0.577 11.349 1.00 0.00 C ATOM 559 CD2 TYR A 33 -3.072 -0.009 9.148 1.00 0.00 C ATOM 560 CE1 TYR A 33 -4.380 0.663 11.477 1.00 0.00 C ATOM 561 CE2 TYR A 33 -3.668 1.229 9.268 1.00 0.00 C ATOM 562 CZ TYR A 33 -4.317 1.562 10.436 1.00 0.00 C ATOM 563 OH TYR A 33 -4.906 2.799 10.560 1.00 0.00 O ATOM 0 H TYR A 33 -1.827 -2.700 12.439 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.517 -3.184 9.978 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.501 -2.586 8.991 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -3.057 -3.024 10.595 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.828 -1.278 12.169 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -2.560 -0.265 8.232 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -4.895 0.925 12.389 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -3.626 1.933 8.450 1.00 0.00 H new ATOM 0 HH TYR A 33 -4.768 3.311 9.736 1.00 0.00 H new ATOM 573 N GLU A 34 -0.183 -0.193 11.203 1.00 0.00 N ATOM 574 CA GLU A 34 0.502 1.085 11.034 1.00 0.00 C ATOM 575 C GLU A 34 1.971 0.859 10.688 1.00 0.00 C ATOM 576 O GLU A 34 2.526 1.523 9.812 1.00 0.00 O ATOM 577 CB GLU A 34 0.389 1.920 12.316 1.00 0.00 C ATOM 578 CG GLU A 34 1.049 3.288 12.219 1.00 0.00 C ATOM 579 CD GLU A 34 1.113 4.001 13.553 1.00 0.00 C ATOM 580 OE1 GLU A 34 1.860 3.533 14.438 1.00 0.00 O ATOM 581 OE2 GLU A 34 0.428 5.034 13.725 1.00 0.00 O ATOM 0 H GLU A 34 -0.584 -0.336 12.130 1.00 0.00 H new ATOM 0 HA GLU A 34 0.028 1.626 10.215 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.665 2.052 12.561 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.840 1.367 13.140 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.058 3.173 11.824 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.497 3.904 11.509 1.00 0.00 H new ATOM 588 N THR A 35 2.582 -0.103 11.363 1.00 0.00 N ATOM 589 CA THR A 35 3.995 -0.390 11.181 1.00 0.00 C ATOM 590 C THR A 35 4.257 -1.054 9.830 1.00 0.00 C ATOM 591 O THR A 35 5.078 -0.580 9.044 1.00 0.00 O ATOM 592 CB THR A 35 4.503 -1.316 12.297 1.00 0.00 C ATOM 593 OG1 THR A 35 3.927 -0.925 13.550 1.00 0.00 O ATOM 594 CG2 THR A 35 6.021 -1.271 12.401 1.00 0.00 C ATOM 0 H THR A 35 2.117 -0.701 12.046 1.00 0.00 H new ATOM 0 HA THR A 35 4.527 0.561 11.218 1.00 0.00 H new ATOM 0 HB THR A 35 4.205 -2.336 12.053 1.00 0.00 H new ATOM 0 HG1 THR A 35 4.252 -1.519 14.259 1.00 0.00 H new ATOM 0 HG21 THR A 35 6.351 -1.936 13.199 1.00 0.00 H new ATOM 0 HG22 THR A 35 6.460 -1.592 11.456 1.00 0.00 H new ATOM 0 HG23 THR A 35 6.341 -0.253 12.622 1.00 0.00 H new ATOM 602 N VAL A 36 3.535 -2.141 9.562 1.00 0.00 N ATOM 603 CA VAL A 36 3.778 -2.951 8.370 1.00 0.00 C ATOM 604 C VAL A 36 3.533 -2.152 7.086 1.00 0.00 C ATOM 605 O VAL A 36 4.275 -2.291 6.100 1.00 0.00 O ATOM 606 CB VAL A 36 2.906 -4.236 8.367 1.00 0.00 C ATOM 607 CG1 VAL A 36 3.147 -5.049 9.629 1.00 0.00 C ATOM 608 CG2 VAL A 36 1.426 -3.914 8.228 1.00 0.00 C ATOM 0 H VAL A 36 2.777 -2.481 10.154 1.00 0.00 H new ATOM 0 HA VAL A 36 4.827 -3.245 8.399 1.00 0.00 H new ATOM 0 HB VAL A 36 3.202 -4.827 7.500 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.527 -5.945 9.608 1.00 0.00 H new ATOM 0 HG12 VAL A 36 4.197 -5.335 9.682 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.890 -4.450 10.502 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.850 -4.840 8.230 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.110 -3.288 9.063 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.256 -3.383 7.291 1.00 0.00 H new ATOM 618 N LEU A 37 2.517 -1.294 7.119 1.00 0.00 N ATOM 619 CA LEU A 37 2.109 -0.529 5.951 1.00 0.00 C ATOM 620 C LEU A 37 3.214 0.427 5.516 1.00 0.00 C ATOM 621 O LEU A 37 3.826 0.233 4.464 1.00 0.00 O ATOM 622 CB LEU A 37 0.825 0.248 6.259 1.00 0.00 C ATOM 623 CG LEU A 37 0.169 0.940 5.062 1.00 0.00 C ATOM 624 CD1 LEU A 37 -0.303 -0.085 4.040 1.00 0.00 C ATOM 625 CD2 LEU A 37 -0.992 1.808 5.520 1.00 0.00 C ATOM 0 H LEU A 37 1.958 -1.112 7.953 1.00 0.00 H new ATOM 0 HA LEU A 37 1.918 -1.222 5.132 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.103 -0.439 6.700 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.050 1.002 7.014 1.00 0.00 H new ATOM 0 HG LEU A 37 0.913 1.579 4.587 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.766 0.428 3.197 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.549 -0.666 3.687 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.030 -0.752 4.503 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.447 2.293 4.656 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.735 1.187 6.021 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.628 2.567 6.212 1.00 0.00 H new ATOM 637 N ARG A 38 3.491 1.431 6.345 1.00 0.00 N ATOM 638 CA ARG A 38 4.470 2.459 6.001 1.00 0.00 C ATOM 639 C ARG A 38 5.830 1.844 5.691 1.00 0.00 C ATOM 640 O ARG A 38 6.520 2.275 4.766 1.00 0.00 O ATOM 641 CB ARG A 38 4.611 3.492 7.128 1.00 0.00 C ATOM 642 CG ARG A 38 5.056 2.903 8.459 1.00 0.00 C ATOM 643 CD ARG A 38 5.525 3.982 9.423 1.00 0.00 C ATOM 644 NE ARG A 38 4.500 4.994 9.679 1.00 0.00 N ATOM 645 CZ ARG A 38 4.108 5.366 10.898 1.00 0.00 C ATOM 646 NH1 ARG A 38 4.674 4.826 11.975 1.00 0.00 N ATOM 647 NH2 ARG A 38 3.173 6.299 11.038 1.00 0.00 N ATOM 0 H ARG A 38 3.052 1.554 7.258 1.00 0.00 H new ATOM 0 HA ARG A 38 4.104 2.965 5.108 1.00 0.00 H new ATOM 0 HB2 ARG A 38 5.329 4.253 6.821 1.00 0.00 H new ATOM 0 HB3 ARG A 38 3.654 3.995 7.267 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.230 2.349 8.906 1.00 0.00 H new ATOM 0 HG3 ARG A 38 5.863 2.190 8.290 1.00 0.00 H new ATOM 0 HD2 ARG A 38 5.817 3.519 10.366 1.00 0.00 H new ATOM 0 HD3 ARG A 38 6.414 4.465 9.017 1.00 0.00 H new ATOM 0 HE ARG A 38 4.058 5.442 8.876 1.00 0.00 H new ATOM 0 HH11 ARG A 38 5.409 4.127 11.869 1.00 0.00 H new ATOM 0 HH12 ARG A 38 4.373 5.112 12.907 1.00 0.00 H new ATOM 0 HH21 ARG A 38 2.755 6.730 10.213 1.00 0.00 H new ATOM 0 HH22 ARG A 38 2.873 6.584 11.970 1.00 0.00 H new ATOM 661 N LEU A 39 6.190 0.814 6.446 1.00 0.00 N ATOM 662 CA LEU A 39 7.495 0.187 6.319 1.00 0.00 C ATOM 663 C LEU A 39 7.695 -0.421 4.935 1.00 0.00 C ATOM 664 O LEU A 39 8.791 -0.361 4.382 1.00 0.00 O ATOM 665 CB LEU A 39 7.668 -0.896 7.389 1.00 0.00 C ATOM 666 CG LEU A 39 9.032 -1.590 7.407 1.00 0.00 C ATOM 667 CD1 LEU A 39 10.130 -0.605 7.774 1.00 0.00 C ATOM 668 CD2 LEU A 39 9.019 -2.763 8.377 1.00 0.00 C ATOM 0 H LEU A 39 5.591 0.394 7.157 1.00 0.00 H new ATOM 0 HA LEU A 39 8.248 0.963 6.459 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.495 -0.447 8.367 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.897 -1.652 7.244 1.00 0.00 H new ATOM 0 HG LEU A 39 9.237 -1.972 6.407 1.00 0.00 H new ATOM 0 HD11 LEU A 39 11.092 -1.118 7.781 1.00 0.00 H new ATOM 0 HD12 LEU A 39 10.155 0.202 7.042 1.00 0.00 H new ATOM 0 HD13 LEU A 39 9.932 -0.191 8.763 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.996 -3.245 8.378 1.00 0.00 H new ATOM 0 HD22 LEU A 39 8.791 -2.403 9.380 1.00 0.00 H new ATOM 0 HD23 LEU A 39 8.260 -3.482 8.069 1.00 0.00 H new ATOM 680 N HIS A 40 6.645 -1.007 4.372 1.00 0.00 N ATOM 681 CA HIS A 40 6.785 -1.720 3.108 1.00 0.00 C ATOM 682 C HIS A 40 6.317 -0.912 1.900 1.00 0.00 C ATOM 683 O HIS A 40 7.031 -0.826 0.902 1.00 0.00 O ATOM 684 CB HIS A 40 6.053 -3.059 3.163 1.00 0.00 C ATOM 685 CG HIS A 40 6.734 -4.055 4.051 1.00 0.00 C ATOM 686 ND1 HIS A 40 6.348 -4.297 5.350 1.00 0.00 N ATOM 687 CD2 HIS A 40 7.805 -4.852 3.825 1.00 0.00 C ATOM 688 CE1 HIS A 40 7.153 -5.197 5.884 1.00 0.00 C ATOM 689 NE2 HIS A 40 8.047 -5.552 4.981 1.00 0.00 N ATOM 0 H HIS A 40 5.703 -1.004 4.762 1.00 0.00 H new ATOM 0 HA HIS A 40 7.853 -1.891 2.973 1.00 0.00 H new ATOM 0 HB2 HIS A 40 5.035 -2.898 3.519 1.00 0.00 H new ATOM 0 HB3 HIS A 40 5.977 -3.469 2.156 1.00 0.00 H new ATOM 0 HD1 HIS A 40 5.563 -3.851 5.825 1.00 0.00 H new ATOM 0 HD2 HIS A 40 8.366 -4.924 2.905 1.00 0.00 H new ATOM 0 HE1 HIS A 40 7.090 -5.579 6.892 1.00 0.00 H new ATOM 698 N VAL A 41 5.139 -0.311 1.984 1.00 0.00 N ATOM 699 CA VAL A 41 4.520 0.279 0.798 1.00 0.00 C ATOM 700 C VAL A 41 5.015 1.706 0.521 1.00 0.00 C ATOM 701 O VAL A 41 5.011 2.154 -0.628 1.00 0.00 O ATOM 702 CB VAL A 41 2.974 0.251 0.891 1.00 0.00 C ATOM 703 CG1 VAL A 41 2.455 1.229 1.930 1.00 0.00 C ATOM 704 CG2 VAL A 41 2.339 0.519 -0.465 1.00 0.00 C ATOM 0 H VAL A 41 4.598 -0.218 2.843 1.00 0.00 H new ATOM 0 HA VAL A 41 4.828 -0.340 -0.045 1.00 0.00 H new ATOM 0 HB VAL A 41 2.689 -0.751 1.210 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.367 1.179 1.965 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.862 0.971 2.908 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.764 2.240 1.664 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.253 0.493 -0.370 1.00 0.00 H new ATOM 0 HG22 VAL A 41 2.649 1.500 -0.824 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.659 -0.244 -1.174 1.00 0.00 H new ATOM 714 N ILE A 42 5.471 2.410 1.550 1.00 0.00 N ATOM 715 CA ILE A 42 5.943 3.782 1.366 1.00 0.00 C ATOM 716 C ILE A 42 7.277 3.839 0.591 1.00 0.00 C ATOM 717 O ILE A 42 7.378 4.569 -0.394 1.00 0.00 O ATOM 718 CB ILE A 42 6.045 4.549 2.719 1.00 0.00 C ATOM 719 CG1 ILE A 42 4.749 5.321 3.002 1.00 0.00 C ATOM 720 CG2 ILE A 42 7.229 5.511 2.738 1.00 0.00 C ATOM 721 CD1 ILE A 42 3.489 4.485 2.921 1.00 0.00 C ATOM 0 H ILE A 42 5.525 2.063 2.508 1.00 0.00 H new ATOM 0 HA ILE A 42 5.193 4.288 0.758 1.00 0.00 H new ATOM 0 HB ILE A 42 6.200 3.804 3.499 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.814 5.762 3.997 1.00 0.00 H new ATOM 0 HG13 ILE A 42 4.669 6.145 2.293 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.264 6.026 3.698 1.00 0.00 H new ATOM 0 HG22 ILE A 42 8.154 4.953 2.591 1.00 0.00 H new ATOM 0 HG23 ILE A 42 7.116 6.243 1.938 1.00 0.00 H new ATOM 0 HD11 ILE A 42 2.623 5.111 3.135 1.00 0.00 H new ATOM 0 HD12 ILE A 42 3.395 4.065 1.920 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.541 3.676 3.650 1.00 0.00 H new ATOM 733 N PRO A 43 8.310 3.061 0.986 1.00 0.00 N ATOM 734 CA PRO A 43 9.624 3.117 0.330 1.00 0.00 C ATOM 735 C PRO A 43 9.614 2.597 -1.110 1.00 0.00 C ATOM 736 O PRO A 43 10.605 2.743 -1.827 1.00 0.00 O ATOM 737 CB PRO A 43 10.516 2.225 1.205 1.00 0.00 C ATOM 738 CG PRO A 43 9.766 2.050 2.477 1.00 0.00 C ATOM 739 CD PRO A 43 8.316 2.107 2.104 1.00 0.00 C ATOM 0 HA PRO A 43 9.968 4.148 0.249 1.00 0.00 H new ATOM 0 HB2 PRO A 43 10.705 1.265 0.724 1.00 0.00 H new ATOM 0 HB3 PRO A 43 11.486 2.690 1.381 1.00 0.00 H new ATOM 0 HG2 PRO A 43 10.012 1.099 2.949 1.00 0.00 H new ATOM 0 HG3 PRO A 43 10.018 2.834 3.191 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.936 1.130 1.805 1.00 0.00 H new ATOM 0 HD3 PRO A 43 7.697 2.450 2.933 1.00 0.00 H new ATOM 747 N THR A 44 8.513 1.986 -1.533 1.00 0.00 N ATOM 748 CA THR A 44 8.432 1.447 -2.884 1.00 0.00 C ATOM 749 C THR A 44 7.621 2.353 -3.814 1.00 0.00 C ATOM 750 O THR A 44 8.123 2.789 -4.847 1.00 0.00 O ATOM 751 CB THR A 44 7.865 0.005 -2.905 1.00 0.00 C ATOM 752 OG1 THR A 44 7.750 -0.471 -4.253 1.00 0.00 O ATOM 753 CG2 THR A 44 6.511 -0.083 -2.222 1.00 0.00 C ATOM 0 H THR A 44 7.674 1.853 -0.968 1.00 0.00 H new ATOM 0 HA THR A 44 9.455 1.409 -3.257 1.00 0.00 H new ATOM 0 HB THR A 44 8.566 -0.621 -2.353 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.392 -1.383 -4.248 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.151 -1.111 -2.260 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.607 0.230 -1.182 1.00 0.00 H new ATOM 0 HG23 THR A 44 5.803 0.569 -2.733 1.00 0.00 H new ATOM 761 N LEU A 45 6.382 2.662 -3.444 1.00 0.00 N ATOM 762 CA LEU A 45 5.505 3.416 -4.332 1.00 0.00 C ATOM 763 C LEU A 45 4.957 4.663 -3.648 1.00 0.00 C ATOM 764 O LEU A 45 4.144 5.387 -4.218 1.00 0.00 O ATOM 765 CB LEU A 45 4.370 2.512 -4.841 1.00 0.00 C ATOM 766 CG LEU A 45 3.542 1.807 -3.760 1.00 0.00 C ATOM 767 CD1 LEU A 45 2.400 2.691 -3.282 1.00 0.00 C ATOM 768 CD2 LEU A 45 3.015 0.478 -4.280 1.00 0.00 C ATOM 0 H LEU A 45 5.967 2.406 -2.548 1.00 0.00 H new ATOM 0 HA LEU A 45 6.089 3.754 -5.188 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.698 3.114 -5.452 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.801 1.753 -5.494 1.00 0.00 H new ATOM 0 HG LEU A 45 4.191 1.612 -2.906 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.830 2.166 -2.516 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.804 3.614 -2.865 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.747 2.928 -4.122 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.429 -0.011 -3.502 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.385 0.653 -5.152 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.852 -0.161 -4.559 1.00 0.00 H new ATOM 780 N GLY A 46 5.427 4.927 -2.435 1.00 0.00 N ATOM 781 CA GLY A 46 4.994 6.110 -1.711 1.00 0.00 C ATOM 782 C GLY A 46 5.526 7.385 -2.336 1.00 0.00 C ATOM 783 O GLY A 46 5.045 8.480 -2.046 1.00 0.00 O ATOM 0 H GLY A 46 6.100 4.344 -1.938 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.905 6.144 -1.690 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.331 6.045 -0.676 1.00 0.00 H new ATOM 787 N SER A 47 6.527 7.232 -3.191 1.00 0.00 N ATOM 788 CA SER A 47 7.113 8.354 -3.907 1.00 0.00 C ATOM 789 C SER A 47 6.400 8.562 -5.243 1.00 0.00 C ATOM 790 O SER A 47 6.790 9.412 -6.046 1.00 0.00 O ATOM 791 CB SER A 47 8.600 8.092 -4.148 1.00 0.00 C ATOM 792 OG SER A 47 9.244 7.648 -2.961 1.00 0.00 O ATOM 0 H SER A 47 6.954 6.331 -3.407 1.00 0.00 H new ATOM 0 HA SER A 47 6.998 9.255 -3.305 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.717 7.342 -4.930 1.00 0.00 H new ATOM 0 HB3 SER A 47 9.079 9.004 -4.505 1.00 0.00 H new ATOM 0 HG SER A 47 10.193 7.487 -3.145 1.00 0.00 H new ATOM 798 N ILE A 48 5.356 7.776 -5.471 1.00 0.00 N ATOM 799 CA ILE A 48 4.598 7.841 -6.708 1.00 0.00 C ATOM 800 C ILE A 48 3.212 8.421 -6.446 1.00 0.00 C ATOM 801 O ILE A 48 2.562 8.066 -5.461 1.00 0.00 O ATOM 802 CB ILE A 48 4.470 6.439 -7.356 1.00 0.00 C ATOM 803 CG1 ILE A 48 5.860 5.875 -7.680 1.00 0.00 C ATOM 804 CG2 ILE A 48 3.603 6.487 -8.609 1.00 0.00 C ATOM 805 CD1 ILE A 48 5.825 4.514 -8.341 1.00 0.00 C ATOM 0 H ILE A 48 5.015 7.081 -4.807 1.00 0.00 H new ATOM 0 HA ILE A 48 5.134 8.491 -7.400 1.00 0.00 H new ATOM 0 HB ILE A 48 3.982 5.777 -6.640 1.00 0.00 H new ATOM 0 HG12 ILE A 48 6.382 6.573 -8.334 1.00 0.00 H new ATOM 0 HG13 ILE A 48 6.439 5.807 -6.759 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.532 5.489 -9.041 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.606 6.841 -8.348 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.050 7.166 -9.335 1.00 0.00 H new ATOM 0 HD11 ILE A 48 6.843 4.180 -8.540 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.332 3.801 -7.680 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.275 4.579 -9.280 1.00 0.00 H new ATOM 817 N PRO A 49 2.771 9.361 -7.299 1.00 0.00 N ATOM 818 CA PRO A 49 1.427 9.938 -7.218 1.00 0.00 C ATOM 819 C PRO A 49 0.338 8.870 -7.226 1.00 0.00 C ATOM 820 O PRO A 49 0.420 7.889 -7.967 1.00 0.00 O ATOM 821 CB PRO A 49 1.337 10.806 -8.476 1.00 0.00 C ATOM 822 CG PRO A 49 2.746 11.147 -8.803 1.00 0.00 C ATOM 823 CD PRO A 49 3.559 9.950 -8.396 1.00 0.00 C ATOM 0 HA PRO A 49 1.275 10.492 -6.291 1.00 0.00 H new ATOM 0 HB2 PRO A 49 0.860 10.268 -9.295 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.744 11.703 -8.296 1.00 0.00 H new ATOM 0 HG2 PRO A 49 2.862 11.356 -9.867 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.068 12.040 -8.266 1.00 0.00 H new ATOM 0 HD2 PRO A 49 3.685 9.250 -9.222 1.00 0.00 H new ATOM 0 HD3 PRO A 49 4.558 10.236 -8.065 1.00 0.00 H new ATOM 831 N LEU A 50 -0.682 9.079 -6.403 1.00 0.00 N ATOM 832 CA LEU A 50 -1.773 8.119 -6.246 1.00 0.00 C ATOM 833 C LEU A 50 -2.452 7.797 -7.572 1.00 0.00 C ATOM 834 O LEU A 50 -2.805 6.648 -7.833 1.00 0.00 O ATOM 835 CB LEU A 50 -2.812 8.662 -5.267 1.00 0.00 C ATOM 836 CG LEU A 50 -2.380 8.682 -3.802 1.00 0.00 C ATOM 837 CD1 LEU A 50 -3.407 9.413 -2.957 1.00 0.00 C ATOM 838 CD2 LEU A 50 -2.191 7.264 -3.287 1.00 0.00 C ATOM 0 H LEU A 50 -0.778 9.915 -5.826 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.337 7.198 -5.859 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.073 9.677 -5.566 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.718 8.062 -5.354 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.429 9.210 -3.730 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.084 9.418 -1.916 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.506 10.439 -3.311 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.369 8.907 -3.036 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.883 7.295 -2.242 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.130 6.717 -3.373 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.424 6.762 -3.877 1.00 0.00 H new ATOM 850 N LYS A 51 -2.629 8.805 -8.411 1.00 0.00 N ATOM 851 CA LYS A 51 -3.325 8.618 -9.676 1.00 0.00 C ATOM 852 C LYS A 51 -2.367 8.160 -10.772 1.00 0.00 C ATOM 853 O LYS A 51 -2.727 8.113 -11.948 1.00 0.00 O ATOM 854 CB LYS A 51 -4.038 9.906 -10.087 1.00 0.00 C ATOM 855 CG LYS A 51 -4.995 10.426 -9.026 1.00 0.00 C ATOM 856 CD LYS A 51 -5.895 11.527 -9.564 1.00 0.00 C ATOM 857 CE LYS A 51 -6.848 10.996 -10.622 1.00 0.00 C ATOM 858 NZ LYS A 51 -7.740 12.058 -11.152 1.00 0.00 N ATOM 0 H LYS A 51 -2.303 9.756 -8.241 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.071 7.835 -9.538 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.294 10.673 -10.303 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.590 9.729 -11.010 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -5.608 9.604 -8.656 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.425 10.805 -8.178 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -6.466 11.965 -8.745 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -5.284 12.323 -9.989 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.275 10.562 -11.441 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.452 10.195 -10.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -8.373 11.653 -11.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -8.307 12.455 -10.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -7.166 12.811 -11.582 1.00 0.00 H new ATOM 872 N LYS A 52 -1.143 7.830 -10.377 1.00 0.00 N ATOM 873 CA LYS A 52 -0.161 7.266 -11.295 1.00 0.00 C ATOM 874 C LYS A 52 0.172 5.837 -10.867 1.00 0.00 C ATOM 875 O LYS A 52 0.832 5.086 -11.591 1.00 0.00 O ATOM 876 CB LYS A 52 1.113 8.120 -11.301 1.00 0.00 C ATOM 877 CG LYS A 52 2.101 7.738 -12.395 1.00 0.00 C ATOM 878 CD LYS A 52 3.446 8.428 -12.213 1.00 0.00 C ATOM 879 CE LYS A 52 3.321 9.945 -12.249 1.00 0.00 C ATOM 880 NZ LYS A 52 2.779 10.438 -13.544 1.00 0.00 N ATOM 0 H LYS A 52 -0.806 7.944 -9.421 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.578 7.256 -12.302 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.837 9.167 -11.423 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.605 8.030 -10.332 1.00 0.00 H new ATOM 0 HG2 LYS A 52 2.244 6.657 -12.393 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.686 8.003 -13.367 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.884 8.123 -11.262 1.00 0.00 H new ATOM 0 HD3 LYS A 52 4.129 8.102 -12.997 1.00 0.00 H new ATOM 0 HE2 LYS A 52 2.671 10.273 -11.438 1.00 0.00 H new ATOM 0 HE3 LYS A 52 4.300 10.392 -12.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 2.839 11.476 -13.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 3.333 10.037 -14.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 1.785 10.146 -13.638 1.00 0.00 H new ATOM 894 N LEU A 53 -0.309 5.475 -9.683 1.00 0.00 N ATOM 895 CA LEU A 53 -0.021 4.181 -9.083 1.00 0.00 C ATOM 896 C LEU A 53 -0.679 3.058 -9.878 1.00 0.00 C ATOM 897 O LEU A 53 -1.895 3.039 -10.067 1.00 0.00 O ATOM 898 CB LEU A 53 -0.496 4.177 -7.616 1.00 0.00 C ATOM 899 CG LEU A 53 -0.146 2.933 -6.776 1.00 0.00 C ATOM 900 CD1 LEU A 53 -1.139 1.806 -7.013 1.00 0.00 C ATOM 901 CD2 LEU A 53 1.273 2.468 -7.071 1.00 0.00 C ATOM 0 H LEU A 53 -0.909 6.071 -9.113 1.00 0.00 H new ATOM 0 HA LEU A 53 1.055 4.008 -9.103 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.075 5.051 -7.120 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.579 4.298 -7.609 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.207 3.214 -5.725 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.863 0.944 -6.406 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.140 2.139 -6.737 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.127 1.526 -8.066 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.501 1.589 -6.468 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.361 2.216 -8.128 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.975 3.266 -6.829 1.00 0.00 H new ATOM 913 N GLN A 54 0.140 2.130 -10.343 1.00 0.00 N ATOM 914 CA GLN A 54 -0.345 0.979 -11.081 1.00 0.00 C ATOM 915 C GLN A 54 -0.394 -0.252 -10.183 1.00 0.00 C ATOM 916 O GLN A 54 0.511 -0.476 -9.379 1.00 0.00 O ATOM 917 CB GLN A 54 0.554 0.715 -12.289 1.00 0.00 C ATOM 918 CG GLN A 54 0.422 1.765 -13.380 1.00 0.00 C ATOM 919 CD GLN A 54 -0.877 1.643 -14.156 1.00 0.00 C ATOM 920 OE1 GLN A 54 -1.889 1.173 -13.636 1.00 0.00 O ATOM 921 NE2 GLN A 54 -0.862 2.067 -15.407 1.00 0.00 N ATOM 0 H GLN A 54 1.152 2.153 -10.220 1.00 0.00 H new ATOM 0 HA GLN A 54 -1.356 1.191 -11.430 1.00 0.00 H new ATOM 0 HB2 GLN A 54 1.592 0.674 -11.958 1.00 0.00 H new ATOM 0 HB3 GLN A 54 0.313 -0.263 -12.705 1.00 0.00 H new ATOM 0 HG2 GLN A 54 0.482 2.757 -12.933 1.00 0.00 H new ATOM 0 HG3 GLN A 54 1.262 1.675 -14.069 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -0.005 2.451 -15.805 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -1.707 2.011 -15.975 1.00 0.00 H new ATOM 930 N PRO A 55 -1.454 -1.066 -10.311 1.00 0.00 N ATOM 931 CA PRO A 55 -1.623 -2.300 -9.530 1.00 0.00 C ATOM 932 C PRO A 55 -0.435 -3.249 -9.678 1.00 0.00 C ATOM 933 O PRO A 55 -0.118 -4.014 -8.765 1.00 0.00 O ATOM 934 CB PRO A 55 -2.891 -2.936 -10.119 1.00 0.00 C ATOM 935 CG PRO A 55 -3.143 -2.219 -11.402 1.00 0.00 C ATOM 936 CD PRO A 55 -2.586 -0.840 -11.221 1.00 0.00 C ATOM 0 HA PRO A 55 -1.694 -2.093 -8.462 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -2.751 -4.004 -10.288 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -3.735 -2.829 -9.438 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.659 -2.729 -12.235 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -4.209 -2.183 -11.626 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -2.264 -0.406 -12.168 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -3.321 -0.159 -10.792 1.00 0.00 H new ATOM 944 N ALA A 56 0.227 -3.175 -10.828 1.00 0.00 N ATOM 945 CA ALA A 56 1.380 -4.019 -11.112 1.00 0.00 C ATOM 946 C ALA A 56 2.532 -3.716 -10.160 1.00 0.00 C ATOM 947 O ALA A 56 3.319 -4.598 -9.830 1.00 0.00 O ATOM 948 CB ALA A 56 1.821 -3.835 -12.556 1.00 0.00 C ATOM 0 H ALA A 56 -0.018 -2.534 -11.583 1.00 0.00 H new ATOM 0 HA ALA A 56 1.086 -5.058 -10.962 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.683 -4.471 -12.757 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.004 -4.110 -13.224 1.00 0.00 H new ATOM 0 HB3 ALA A 56 2.092 -2.793 -12.724 1.00 0.00 H new ATOM 954 N ASP A 57 2.611 -2.468 -9.703 1.00 0.00 N ATOM 955 CA ASP A 57 3.690 -2.046 -8.812 1.00 0.00 C ATOM 956 C ASP A 57 3.449 -2.600 -7.414 1.00 0.00 C ATOM 957 O ASP A 57 4.386 -2.963 -6.706 1.00 0.00 O ATOM 958 CB ASP A 57 3.789 -0.521 -8.764 1.00 0.00 C ATOM 959 CG ASP A 57 5.213 -0.031 -8.549 1.00 0.00 C ATOM 960 OD1 ASP A 57 5.734 -0.144 -7.421 1.00 0.00 O ATOM 961 OD2 ASP A 57 5.822 0.466 -9.524 1.00 0.00 O ATOM 0 H ASP A 57 1.943 -1.733 -9.934 1.00 0.00 H new ATOM 0 HA ASP A 57 4.632 -2.437 -9.197 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.403 -0.107 -9.696 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.155 -0.145 -7.961 1.00 0.00 H new ATOM 966 N ILE A 58 2.179 -2.679 -7.029 1.00 0.00 N ATOM 967 CA ILE A 58 1.799 -3.299 -5.766 1.00 0.00 C ATOM 968 C ILE A 58 2.192 -4.771 -5.778 1.00 0.00 C ATOM 969 O ILE A 58 2.735 -5.300 -4.806 1.00 0.00 O ATOM 970 CB ILE A 58 0.278 -3.182 -5.516 1.00 0.00 C ATOM 971 CG1 ILE A 58 -0.139 -1.711 -5.461 1.00 0.00 C ATOM 972 CG2 ILE A 58 -0.118 -3.895 -4.228 1.00 0.00 C ATOM 973 CD1 ILE A 58 -1.627 -1.504 -5.277 1.00 0.00 C ATOM 0 H ILE A 58 1.395 -2.321 -7.575 1.00 0.00 H new ATOM 0 HA ILE A 58 2.322 -2.776 -4.965 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.242 -3.663 -6.344 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.390 -1.223 -4.642 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.176 -1.219 -6.381 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.193 -3.798 -4.074 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.145 -4.950 -4.301 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.411 -3.447 -3.387 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.845 -0.436 -5.248 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.163 -1.961 -6.108 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.946 -1.965 -4.342 1.00 0.00 H new ATOM 985 N GLN A 59 1.931 -5.415 -6.908 1.00 0.00 N ATOM 986 CA GLN A 59 2.286 -6.815 -7.104 1.00 0.00 C ATOM 987 C GLN A 59 3.807 -6.957 -7.121 1.00 0.00 C ATOM 988 O GLN A 59 4.371 -7.913 -6.587 1.00 0.00 O ATOM 989 CB GLN A 59 1.682 -7.310 -8.420 1.00 0.00 C ATOM 990 CG GLN A 59 1.802 -8.805 -8.645 1.00 0.00 C ATOM 991 CD GLN A 59 1.173 -9.234 -9.958 1.00 0.00 C ATOM 992 OE1 GLN A 59 -0.017 -9.538 -10.016 1.00 0.00 O ATOM 993 NE2 GLN A 59 1.962 -9.259 -11.022 1.00 0.00 N ATOM 0 H GLN A 59 1.470 -4.985 -7.710 1.00 0.00 H new ATOM 0 HA GLN A 59 1.890 -7.418 -6.287 1.00 0.00 H new ATOM 0 HB2 GLN A 59 0.628 -7.035 -8.447 1.00 0.00 H new ATOM 0 HB3 GLN A 59 2.168 -6.791 -9.246 1.00 0.00 H new ATOM 0 HG2 GLN A 59 2.854 -9.090 -8.637 1.00 0.00 H new ATOM 0 HG3 GLN A 59 1.322 -9.335 -7.823 1.00 0.00 H new ATOM 0 HE21 GLN A 59 2.945 -9.000 -10.934 1.00 0.00 H new ATOM 0 HE22 GLN A 59 1.587 -9.537 -11.929 1.00 0.00 H new ATOM 1002 N ARG A 60 4.449 -5.976 -7.735 1.00 0.00 N ATOM 1003 CA ARG A 60 5.903 -5.883 -7.788 1.00 0.00 C ATOM 1004 C ARG A 60 6.501 -5.755 -6.388 1.00 0.00 C ATOM 1005 O ARG A 60 7.545 -6.343 -6.099 1.00 0.00 O ATOM 1006 CB ARG A 60 6.276 -4.687 -8.669 1.00 0.00 C ATOM 1007 CG ARG A 60 7.691 -4.165 -8.503 1.00 0.00 C ATOM 1008 CD ARG A 60 7.965 -3.064 -9.514 1.00 0.00 C ATOM 1009 NE ARG A 60 9.090 -2.219 -9.130 1.00 0.00 N ATOM 1010 CZ ARG A 60 10.066 -1.863 -9.959 1.00 0.00 C ATOM 1011 NH1 ARG A 60 10.115 -2.365 -11.190 1.00 0.00 N ATOM 1012 NH2 ARG A 60 10.999 -1.009 -9.553 1.00 0.00 N ATOM 0 H ARG A 60 3.972 -5.213 -8.216 1.00 0.00 H new ATOM 0 HA ARG A 60 6.316 -6.796 -8.218 1.00 0.00 H new ATOM 0 HB2 ARG A 60 6.132 -4.968 -9.712 1.00 0.00 H new ATOM 0 HB3 ARG A 60 5.581 -3.874 -8.459 1.00 0.00 H new ATOM 0 HG2 ARG A 60 7.829 -3.783 -7.492 1.00 0.00 H new ATOM 0 HG3 ARG A 60 8.405 -4.978 -8.637 1.00 0.00 H new ATOM 0 HD2 ARG A 60 8.167 -3.511 -10.487 1.00 0.00 H new ATOM 0 HD3 ARG A 60 7.073 -2.447 -9.625 1.00 0.00 H new ATOM 0 HE ARG A 60 9.130 -1.881 -8.168 1.00 0.00 H new ATOM 0 HH11 ARG A 60 9.402 -3.025 -11.500 1.00 0.00 H new ATOM 0 HH12 ARG A 60 10.865 -2.090 -11.824 1.00 0.00 H new ATOM 0 HH21 ARG A 60 10.965 -0.628 -8.607 1.00 0.00 H new ATOM 0 HH22 ARG A 60 11.749 -0.734 -10.187 1.00 0.00 H new ATOM 1026 N LEU A 61 5.829 -4.998 -5.525 1.00 0.00 N ATOM 1027 CA LEU A 61 6.248 -4.851 -4.134 1.00 0.00 C ATOM 1028 C LEU A 61 6.313 -6.219 -3.460 1.00 0.00 C ATOM 1029 O LEU A 61 7.331 -6.580 -2.867 1.00 0.00 O ATOM 1030 CB LEU A 61 5.278 -3.905 -3.394 1.00 0.00 C ATOM 1031 CG LEU A 61 5.581 -3.601 -1.910 1.00 0.00 C ATOM 1032 CD1 LEU A 61 4.997 -4.664 -0.990 1.00 0.00 C ATOM 1033 CD2 LEU A 61 7.081 -3.472 -1.677 1.00 0.00 C ATOM 0 H LEU A 61 4.988 -4.474 -5.766 1.00 0.00 H new ATOM 0 HA LEU A 61 7.245 -4.412 -4.098 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.252 -2.958 -3.934 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.278 -4.334 -3.453 1.00 0.00 H new ATOM 0 HG LEU A 61 5.106 -2.650 -1.671 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.230 -4.417 0.046 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.915 -4.703 -1.119 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.427 -5.635 -1.237 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.269 -3.258 -0.625 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.573 -4.405 -1.951 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.476 -2.660 -2.288 1.00 0.00 H new ATOM 1045 N TYR A 62 5.232 -6.983 -3.574 1.00 0.00 N ATOM 1046 CA TYR A 62 5.174 -8.312 -2.974 1.00 0.00 C ATOM 1047 C TYR A 62 6.251 -9.217 -3.560 1.00 0.00 C ATOM 1048 O TYR A 62 6.998 -9.859 -2.827 1.00 0.00 O ATOM 1049 CB TYR A 62 3.802 -8.952 -3.192 1.00 0.00 C ATOM 1050 CG TYR A 62 2.652 -8.168 -2.598 1.00 0.00 C ATOM 1051 CD1 TYR A 62 2.680 -7.743 -1.276 1.00 0.00 C ATOM 1052 CD2 TYR A 62 1.538 -7.854 -3.365 1.00 0.00 C ATOM 1053 CE1 TYR A 62 1.629 -7.030 -0.734 1.00 0.00 C ATOM 1054 CE2 TYR A 62 0.484 -7.142 -2.830 1.00 0.00 C ATOM 1055 CZ TYR A 62 0.535 -6.732 -1.516 1.00 0.00 C ATOM 1056 OH TYR A 62 -0.518 -6.027 -0.981 1.00 0.00 O ATOM 0 H TYR A 62 4.387 -6.707 -4.074 1.00 0.00 H new ATOM 0 HA TYR A 62 5.346 -8.196 -1.904 1.00 0.00 H new ATOM 0 HB2 TYR A 62 3.633 -9.068 -4.263 1.00 0.00 H new ATOM 0 HB3 TYR A 62 3.807 -9.953 -2.760 1.00 0.00 H new ATOM 0 HD1 TYR A 62 3.538 -7.974 -0.662 1.00 0.00 H new ATOM 0 HD2 TYR A 62 1.496 -8.172 -4.396 1.00 0.00 H new ATOM 0 HE1 TYR A 62 1.665 -6.708 0.296 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -0.377 -6.907 -3.439 1.00 0.00 H new ATOM 0 HH TYR A 62 -1.208 -5.900 -1.665 1.00 0.00 H new ATOM 1066 N ALA A 63 6.327 -9.241 -4.885 1.00 0.00 N ATOM 1067 CA ALA A 63 7.247 -10.121 -5.595 1.00 0.00 C ATOM 1068 C ALA A 63 8.703 -9.817 -5.260 1.00 0.00 C ATOM 1069 O ALA A 63 9.451 -10.707 -4.856 1.00 0.00 O ATOM 1070 CB ALA A 63 7.019 -10.020 -7.097 1.00 0.00 C ATOM 0 H ALA A 63 5.757 -8.655 -5.494 1.00 0.00 H new ATOM 0 HA ALA A 63 7.043 -11.140 -5.267 1.00 0.00 H new ATOM 0 HB1 ALA A 63 7.712 -10.682 -7.616 1.00 0.00 H new ATOM 0 HB2 ALA A 63 5.995 -10.312 -7.330 1.00 0.00 H new ATOM 0 HB3 ALA A 63 7.186 -8.993 -7.422 1.00 0.00 H new ATOM 1076 N SER A 64 9.097 -8.562 -5.412 1.00 0.00 N ATOM 1077 CA SER A 64 10.490 -8.176 -5.236 1.00 0.00 C ATOM 1078 C SER A 64 10.944 -8.389 -3.794 1.00 0.00 C ATOM 1079 O SER A 64 12.035 -8.911 -3.549 1.00 0.00 O ATOM 1080 CB SER A 64 10.690 -6.714 -5.648 1.00 0.00 C ATOM 1081 OG SER A 64 12.065 -6.361 -5.637 1.00 0.00 O ATOM 0 H SER A 64 8.473 -7.793 -5.657 1.00 0.00 H new ATOM 0 HA SER A 64 11.101 -8.811 -5.877 1.00 0.00 H new ATOM 0 HB2 SER A 64 10.279 -6.555 -6.645 1.00 0.00 H new ATOM 0 HB3 SER A 64 10.139 -6.063 -4.969 1.00 0.00 H new ATOM 0 HG SER A 64 12.164 -5.424 -5.905 1.00 0.00 H new ATOM 1087 N LYS A 65 10.103 -8.012 -2.840 1.00 0.00 N ATOM 1088 CA LYS A 65 10.465 -8.132 -1.437 1.00 0.00 C ATOM 1089 C LYS A 65 10.512 -9.604 -1.032 1.00 0.00 C ATOM 1090 O LYS A 65 11.318 -10.001 -0.189 1.00 0.00 O ATOM 1091 CB LYS A 65 9.484 -7.356 -0.556 1.00 0.00 C ATOM 1092 CG LYS A 65 10.116 -6.798 0.712 1.00 0.00 C ATOM 1093 CD LYS A 65 11.198 -5.776 0.388 1.00 0.00 C ATOM 1094 CE LYS A 65 11.793 -5.169 1.651 1.00 0.00 C ATOM 1095 NZ LYS A 65 12.813 -4.131 1.345 1.00 0.00 N ATOM 0 H LYS A 65 9.175 -7.625 -3.011 1.00 0.00 H new ATOM 0 HA LYS A 65 11.456 -7.701 -1.294 1.00 0.00 H new ATOM 0 HB2 LYS A 65 9.061 -6.534 -1.134 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.657 -8.011 -0.282 1.00 0.00 H new ATOM 0 HG2 LYS A 65 9.347 -6.334 1.330 1.00 0.00 H new ATOM 0 HG3 LYS A 65 10.545 -7.612 1.296 1.00 0.00 H new ATOM 0 HD2 LYS A 65 11.987 -6.253 -0.194 1.00 0.00 H new ATOM 0 HD3 LYS A 65 10.778 -4.985 -0.233 1.00 0.00 H new ATOM 0 HE2 LYS A 65 10.997 -4.729 2.251 1.00 0.00 H new ATOM 0 HE3 LYS A 65 12.247 -5.957 2.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 13.192 -3.744 2.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 13.586 -4.556 0.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 12.375 -3.366 0.793 1.00 0.00 H new ATOM 1109 N LEU A 66 9.662 -10.414 -1.656 1.00 0.00 N ATOM 1110 CA LEU A 66 9.674 -11.854 -1.438 1.00 0.00 C ATOM 1111 C LEU A 66 10.992 -12.449 -1.928 1.00 0.00 C ATOM 1112 O LEU A 66 11.596 -13.288 -1.259 1.00 0.00 O ATOM 1113 CB LEU A 66 8.494 -12.512 -2.160 1.00 0.00 C ATOM 1114 CG LEU A 66 8.362 -14.023 -1.961 1.00 0.00 C ATOM 1115 CD1 LEU A 66 8.074 -14.352 -0.506 1.00 0.00 C ATOM 1116 CD2 LEU A 66 7.272 -14.587 -2.858 1.00 0.00 C ATOM 0 H LEU A 66 8.955 -10.095 -2.318 1.00 0.00 H new ATOM 0 HA LEU A 66 9.578 -12.046 -0.369 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.573 -12.037 -1.823 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.585 -12.310 -3.227 1.00 0.00 H new ATOM 0 HG LEU A 66 9.310 -14.485 -2.236 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.984 -15.432 -0.388 1.00 0.00 H new ATOM 0 HD12 LEU A 66 8.889 -13.985 0.118 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.142 -13.875 -0.203 1.00 0.00 H new ATOM 0 HD21 LEU A 66 7.193 -15.663 -2.702 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.320 -14.114 -2.615 1.00 0.00 H new ATOM 0 HD23 LEU A 66 7.520 -14.389 -3.901 1.00 0.00 H new ATOM 1128 N GLU A 67 11.444 -11.994 -3.094 1.00 0.00 N ATOM 1129 CA GLU A 67 12.738 -12.406 -3.638 1.00 0.00 C ATOM 1130 C GLU A 67 13.872 -11.901 -2.753 1.00 0.00 C ATOM 1131 O GLU A 67 14.944 -12.505 -2.686 1.00 0.00 O ATOM 1132 CB GLU A 67 12.913 -11.874 -5.064 1.00 0.00 C ATOM 1133 CG GLU A 67 11.872 -12.392 -6.047 1.00 0.00 C ATOM 1134 CD GLU A 67 12.020 -13.871 -6.346 1.00 0.00 C ATOM 1135 OE1 GLU A 67 12.029 -14.684 -5.396 1.00 0.00 O ATOM 1136 OE2 GLU A 67 12.130 -14.230 -7.538 1.00 0.00 O ATOM 0 H GLU A 67 10.932 -11.337 -3.683 1.00 0.00 H new ATOM 0 HA GLU A 67 12.768 -13.495 -3.662 1.00 0.00 H new ATOM 0 HB2 GLU A 67 12.869 -10.785 -5.043 1.00 0.00 H new ATOM 0 HB3 GLU A 67 13.905 -12.146 -5.424 1.00 0.00 H new ATOM 0 HG2 GLU A 67 10.876 -12.207 -5.644 1.00 0.00 H new ATOM 0 HG3 GLU A 67 11.948 -11.830 -6.978 1.00 0.00 H new ATOM 1143 N SER A 68 13.624 -10.790 -2.070 1.00 0.00 N ATOM 1144 CA SER A 68 14.605 -10.209 -1.165 1.00 0.00 C ATOM 1145 C SER A 68 14.723 -11.043 0.115 1.00 0.00 C ATOM 1146 O SER A 68 15.712 -10.949 0.840 1.00 0.00 O ATOM 1147 CB SER A 68 14.221 -8.767 -0.830 1.00 0.00 C ATOM 1148 OG SER A 68 14.053 -7.993 -2.010 1.00 0.00 O ATOM 0 H SER A 68 12.747 -10.272 -2.127 1.00 0.00 H new ATOM 0 HA SER A 68 15.576 -10.208 -1.660 1.00 0.00 H new ATOM 0 HB2 SER A 68 13.297 -8.759 -0.252 1.00 0.00 H new ATOM 0 HB3 SER A 68 14.993 -8.318 -0.204 1.00 0.00 H new ATOM 0 HG SER A 68 13.214 -8.244 -2.449 1.00 0.00 H new ATOM 1154 N GLY A 69 13.710 -11.862 0.385 1.00 0.00 N ATOM 1155 CA GLY A 69 13.760 -12.738 1.539 1.00 0.00 C ATOM 1156 C GLY A 69 12.694 -12.431 2.573 1.00 0.00 C ATOM 1157 O GLY A 69 12.824 -12.816 3.735 1.00 0.00 O ATOM 0 H GLY A 69 12.859 -11.934 -0.173 1.00 0.00 H new ATOM 0 HA2 GLY A 69 13.648 -13.770 1.208 1.00 0.00 H new ATOM 0 HA3 GLY A 69 14.742 -12.658 2.005 1.00 0.00 H new ATOM 1161 N LEU A 70 11.638 -11.739 2.163 1.00 0.00 N ATOM 1162 CA LEU A 70 10.533 -11.444 3.066 1.00 0.00 C ATOM 1163 C LEU A 70 9.717 -12.707 3.317 1.00 0.00 C ATOM 1164 O LEU A 70 9.494 -13.502 2.403 1.00 0.00 O ATOM 1165 CB LEU A 70 9.641 -10.342 2.487 1.00 0.00 C ATOM 1166 CG LEU A 70 8.495 -9.882 3.392 1.00 0.00 C ATOM 1167 CD1 LEU A 70 9.040 -9.305 4.688 1.00 0.00 C ATOM 1168 CD2 LEU A 70 7.629 -8.859 2.675 1.00 0.00 C ATOM 0 H LEU A 70 11.524 -11.374 1.218 1.00 0.00 H new ATOM 0 HA LEU A 70 10.941 -11.090 4.013 1.00 0.00 H new ATOM 0 HB2 LEU A 70 10.264 -9.479 2.252 1.00 0.00 H new ATOM 0 HB3 LEU A 70 9.219 -10.696 1.546 1.00 0.00 H new ATOM 0 HG LEU A 70 7.877 -10.747 3.633 1.00 0.00 H new ATOM 0 HD11 LEU A 70 8.212 -8.983 5.319 1.00 0.00 H new ATOM 0 HD12 LEU A 70 9.620 -10.066 5.210 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.680 -8.451 4.465 1.00 0.00 H new ATOM 0 HD21 LEU A 70 6.819 -8.543 3.333 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.235 -7.995 2.405 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.210 -9.305 1.773 1.00 0.00 H new ATOM 1180 N SER A 71 9.296 -12.894 4.560 1.00 0.00 N ATOM 1181 CA SER A 71 8.535 -14.072 4.952 1.00 0.00 C ATOM 1182 C SER A 71 7.218 -14.159 4.178 1.00 0.00 C ATOM 1183 O SER A 71 6.412 -13.225 4.207 1.00 0.00 O ATOM 1184 CB SER A 71 8.254 -14.014 6.450 1.00 0.00 C ATOM 1185 OG SER A 71 9.413 -13.621 7.167 1.00 0.00 O ATOM 0 H SER A 71 9.471 -12.238 5.321 1.00 0.00 H new ATOM 0 HA SER A 71 9.122 -14.960 4.719 1.00 0.00 H new ATOM 0 HB2 SER A 71 7.445 -13.311 6.645 1.00 0.00 H new ATOM 0 HB3 SER A 71 7.919 -14.991 6.799 1.00 0.00 H new ATOM 0 HG SER A 71 9.260 -13.742 8.127 1.00 0.00 H new ATOM 1191 N PRO A 72 6.988 -15.288 3.481 1.00 0.00 N ATOM 1192 CA PRO A 72 5.778 -15.502 2.672 1.00 0.00 C ATOM 1193 C PRO A 72 4.494 -15.329 3.478 1.00 0.00 C ATOM 1194 O PRO A 72 3.508 -14.783 2.988 1.00 0.00 O ATOM 1195 CB PRO A 72 5.915 -16.951 2.194 1.00 0.00 C ATOM 1196 CG PRO A 72 7.375 -17.237 2.254 1.00 0.00 C ATOM 1197 CD PRO A 72 7.902 -16.442 3.415 1.00 0.00 C ATOM 0 HA PRO A 72 5.704 -14.776 1.862 1.00 0.00 H new ATOM 0 HB2 PRO A 72 5.352 -17.632 2.832 1.00 0.00 H new ATOM 0 HB3 PRO A 72 5.530 -17.071 1.181 1.00 0.00 H new ATOM 0 HG2 PRO A 72 7.559 -18.302 2.394 1.00 0.00 H new ATOM 0 HG3 PRO A 72 7.868 -16.948 1.326 1.00 0.00 H new ATOM 0 HD2 PRO A 72 7.886 -17.021 4.339 1.00 0.00 H new ATOM 0 HD3 PRO A 72 8.933 -16.129 3.253 1.00 0.00 H new ATOM 1205 N THR A 73 4.518 -15.783 4.717 1.00 0.00 N ATOM 1206 CA THR A 73 3.367 -15.660 5.593 1.00 0.00 C ATOM 1207 C THR A 73 3.108 -14.201 5.954 1.00 0.00 C ATOM 1208 O THR A 73 1.964 -13.744 5.975 1.00 0.00 O ATOM 1209 CB THR A 73 3.572 -16.482 6.876 1.00 0.00 C ATOM 1210 OG1 THR A 73 4.892 -16.253 7.390 1.00 0.00 O ATOM 1211 CG2 THR A 73 3.372 -17.963 6.606 1.00 0.00 C ATOM 0 H THR A 73 5.324 -16.242 5.141 1.00 0.00 H new ATOM 0 HA THR A 73 2.500 -16.046 5.057 1.00 0.00 H new ATOM 0 HB THR A 73 2.834 -16.165 7.613 1.00 0.00 H new ATOM 0 HG1 THR A 73 5.020 -16.777 8.209 1.00 0.00 H new ATOM 0 HG21 THR A 73 3.522 -18.524 7.528 1.00 0.00 H new ATOM 0 HG22 THR A 73 2.360 -18.132 6.239 1.00 0.00 H new ATOM 0 HG23 THR A 73 4.090 -18.297 5.857 1.00 0.00 H new ATOM 1219 N ARG A 74 4.183 -13.466 6.204 1.00 0.00 N ATOM 1220 CA ARG A 74 4.080 -12.074 6.608 1.00 0.00 C ATOM 1221 C ARG A 74 3.662 -11.193 5.433 1.00 0.00 C ATOM 1222 O ARG A 74 2.864 -10.273 5.597 1.00 0.00 O ATOM 1223 CB ARG A 74 5.403 -11.592 7.214 1.00 0.00 C ATOM 1224 CG ARG A 74 5.768 -12.321 8.501 1.00 0.00 C ATOM 1225 CD ARG A 74 7.091 -11.845 9.085 1.00 0.00 C ATOM 1226 NE ARG A 74 7.406 -12.548 10.329 1.00 0.00 N ATOM 1227 CZ ARG A 74 8.354 -12.175 11.188 1.00 0.00 C ATOM 1228 NH1 ARG A 74 9.162 -11.167 10.896 1.00 0.00 N ATOM 1229 NH2 ARG A 74 8.513 -12.839 12.329 1.00 0.00 N ATOM 0 H ARG A 74 5.139 -13.814 6.133 1.00 0.00 H new ATOM 0 HA ARG A 74 3.307 -11.996 7.372 1.00 0.00 H new ATOM 0 HB2 ARG A 74 6.202 -11.730 6.485 1.00 0.00 H new ATOM 0 HB3 ARG A 74 5.336 -10.523 7.415 1.00 0.00 H new ATOM 0 HG2 ARG A 74 4.976 -12.174 9.235 1.00 0.00 H new ATOM 0 HG3 ARG A 74 5.825 -13.392 8.305 1.00 0.00 H new ATOM 0 HD2 ARG A 74 7.890 -12.007 8.361 1.00 0.00 H new ATOM 0 HD3 ARG A 74 7.043 -10.772 9.273 1.00 0.00 H new ATOM 0 HE ARG A 74 6.862 -13.381 10.554 1.00 0.00 H new ATOM 0 HH11 ARG A 74 9.060 -10.672 10.010 1.00 0.00 H new ATOM 0 HH12 ARG A 74 9.886 -10.886 11.557 1.00 0.00 H new ATOM 0 HH21 ARG A 74 7.910 -13.633 12.546 1.00 0.00 H new ATOM 0 HH22 ARG A 74 9.238 -12.555 12.988 1.00 0.00 H new ATOM 1243 N VAL A 75 4.172 -11.493 4.239 1.00 0.00 N ATOM 1244 CA VAL A 75 3.797 -10.735 3.050 1.00 0.00 C ATOM 1245 C VAL A 75 2.355 -11.062 2.647 1.00 0.00 C ATOM 1246 O VAL A 75 1.679 -10.266 1.995 1.00 0.00 O ATOM 1247 CB VAL A 75 4.764 -10.987 1.866 1.00 0.00 C ATOM 1248 CG1 VAL A 75 4.609 -12.391 1.299 1.00 0.00 C ATOM 1249 CG2 VAL A 75 4.569 -9.937 0.781 1.00 0.00 C ATOM 0 H VAL A 75 4.838 -12.247 4.072 1.00 0.00 H new ATOM 0 HA VAL A 75 3.868 -9.677 3.301 1.00 0.00 H new ATOM 0 HB VAL A 75 5.781 -10.904 2.248 1.00 0.00 H new ATOM 0 HG11 VAL A 75 5.304 -12.528 0.471 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.823 -13.123 2.077 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.588 -12.529 0.942 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.257 -10.132 -0.042 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.544 -9.979 0.414 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.766 -8.947 1.193 1.00 0.00 H new ATOM 1259 N ARG A 76 1.886 -12.240 3.052 1.00 0.00 N ATOM 1260 CA ARG A 76 0.492 -12.620 2.858 1.00 0.00 C ATOM 1261 C ARG A 76 -0.409 -11.765 3.744 1.00 0.00 C ATOM 1262 O ARG A 76 -1.517 -11.395 3.353 1.00 0.00 O ATOM 1263 CB ARG A 76 0.301 -14.115 3.158 1.00 0.00 C ATOM 1264 CG ARG A 76 -1.153 -14.574 3.168 1.00 0.00 C ATOM 1265 CD ARG A 76 -1.690 -14.710 4.587 1.00 0.00 C ATOM 1266 NE ARG A 76 -1.063 -15.818 5.308 1.00 0.00 N ATOM 1267 CZ ARG A 76 -0.853 -15.839 6.624 1.00 0.00 C ATOM 1268 NH1 ARG A 76 -1.173 -14.791 7.376 1.00 0.00 N ATOM 1269 NH2 ARG A 76 -0.321 -16.919 7.184 1.00 0.00 N ATOM 0 H ARG A 76 2.454 -12.948 3.517 1.00 0.00 H new ATOM 0 HA ARG A 76 0.216 -12.446 1.818 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.847 -14.695 2.414 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.747 -14.339 4.127 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -1.764 -13.861 2.614 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.236 -15.532 2.654 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.518 -13.781 5.130 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.769 -14.864 4.553 1.00 0.00 H new ATOM 0 HE ARG A 76 -0.766 -16.630 4.766 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -1.583 -13.961 6.947 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -1.009 -14.816 8.382 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.076 -17.724 6.608 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -0.157 -16.943 8.190 1.00 0.00 H new ATOM 1283 N TYR A 77 0.079 -11.453 4.938 1.00 0.00 N ATOM 1284 CA TYR A 77 -0.640 -10.579 5.855 1.00 0.00 C ATOM 1285 C TYR A 77 -0.637 -9.148 5.321 1.00 0.00 C ATOM 1286 O TYR A 77 -1.657 -8.460 5.358 1.00 0.00 O ATOM 1287 CB TYR A 77 -0.006 -10.631 7.249 1.00 0.00 C ATOM 1288 CG TYR A 77 -0.834 -9.967 8.332 1.00 0.00 C ATOM 1289 CD1 TYR A 77 -1.843 -10.668 8.985 1.00 0.00 C ATOM 1290 CD2 TYR A 77 -0.605 -8.650 8.708 1.00 0.00 C ATOM 1291 CE1 TYR A 77 -2.598 -10.074 9.979 1.00 0.00 C ATOM 1292 CE2 TYR A 77 -1.358 -8.048 9.702 1.00 0.00 C ATOM 1293 CZ TYR A 77 -2.354 -8.764 10.334 1.00 0.00 C ATOM 1294 OH TYR A 77 -3.107 -8.170 11.325 1.00 0.00 O ATOM 0 H TYR A 77 0.972 -11.793 5.294 1.00 0.00 H new ATOM 0 HA TYR A 77 -1.671 -10.923 5.934 1.00 0.00 H new ATOM 0 HB2 TYR A 77 0.161 -11.673 7.522 1.00 0.00 H new ATOM 0 HB3 TYR A 77 0.972 -10.152 7.209 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -2.040 -11.694 8.711 1.00 0.00 H new ATOM 0 HD2 TYR A 77 0.174 -8.086 8.217 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.376 -10.634 10.476 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -1.167 -7.022 9.981 1.00 0.00 H new ATOM 0 HH TYR A 77 -2.807 -7.246 11.454 1.00 0.00 H new ATOM 1304 N ILE A 78 0.515 -8.712 4.814 1.00 0.00 N ATOM 1305 CA ILE A 78 0.645 -7.391 4.202 1.00 0.00 C ATOM 1306 C ILE A 78 -0.346 -7.232 3.050 1.00 0.00 C ATOM 1307 O ILE A 78 -0.983 -6.192 2.905 1.00 0.00 O ATOM 1308 CB ILE A 78 2.081 -7.160 3.679 1.00 0.00 C ATOM 1309 CG1 ILE A 78 3.081 -7.232 4.835 1.00 0.00 C ATOM 1310 CG2 ILE A 78 2.188 -5.815 2.969 1.00 0.00 C ATOM 1311 CD1 ILE A 78 4.529 -7.188 4.391 1.00 0.00 C ATOM 0 H ILE A 78 1.376 -9.258 4.815 1.00 0.00 H new ATOM 0 HA ILE A 78 0.427 -6.649 4.970 1.00 0.00 H new ATOM 0 HB ILE A 78 2.316 -7.945 2.960 1.00 0.00 H new ATOM 0 HG12 ILE A 78 2.894 -6.403 5.518 1.00 0.00 H new ATOM 0 HG13 ILE A 78 2.910 -8.151 5.395 1.00 0.00 H new ATOM 0 HG21 ILE A 78 3.207 -5.674 2.609 1.00 0.00 H new ATOM 0 HG22 ILE A 78 1.499 -5.793 2.125 1.00 0.00 H new ATOM 0 HG23 ILE A 78 1.935 -5.015 3.665 1.00 0.00 H new ATOM 0 HD11 ILE A 78 5.179 -7.243 5.264 1.00 0.00 H new ATOM 0 HD12 ILE A 78 4.733 -8.032 3.732 1.00 0.00 H new ATOM 0 HD13 ILE A 78 4.718 -6.257 3.857 1.00 0.00 H new ATOM 1323 N HIS A 79 -0.485 -8.288 2.259 1.00 0.00 N ATOM 1324 CA HIS A 79 -1.378 -8.290 1.103 1.00 0.00 C ATOM 1325 C HIS A 79 -2.817 -7.957 1.503 1.00 0.00 C ATOM 1326 O HIS A 79 -3.464 -7.120 0.874 1.00 0.00 O ATOM 1327 CB HIS A 79 -1.318 -9.657 0.408 1.00 0.00 C ATOM 1328 CG HIS A 79 -2.246 -9.800 -0.764 1.00 0.00 C ATOM 1329 ND1 HIS A 79 -3.338 -10.635 -0.754 1.00 0.00 N ATOM 1330 CD2 HIS A 79 -2.230 -9.222 -1.990 1.00 0.00 C ATOM 1331 CE1 HIS A 79 -3.954 -10.569 -1.916 1.00 0.00 C ATOM 1332 NE2 HIS A 79 -3.305 -9.720 -2.686 1.00 0.00 N ATOM 0 H HIS A 79 0.016 -9.166 2.398 1.00 0.00 H new ATOM 0 HA HIS A 79 -1.044 -7.516 0.412 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -0.297 -9.835 0.071 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -1.552 -10.432 1.138 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -1.508 -8.505 -2.352 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -4.842 -11.119 -2.191 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -3.559 -9.473 -3.642 1.00 0.00 H new ATOM 1341 N VAL A 80 -3.304 -8.593 2.561 1.00 0.00 N ATOM 1342 CA VAL A 80 -4.701 -8.445 2.952 1.00 0.00 C ATOM 1343 C VAL A 80 -4.945 -7.130 3.700 1.00 0.00 C ATOM 1344 O VAL A 80 -5.992 -6.501 3.540 1.00 0.00 O ATOM 1345 CB VAL A 80 -5.186 -9.645 3.803 1.00 0.00 C ATOM 1346 CG1 VAL A 80 -4.473 -9.712 5.143 1.00 0.00 C ATOM 1347 CG2 VAL A 80 -6.695 -9.596 3.995 1.00 0.00 C ATOM 0 H VAL A 80 -2.758 -9.212 3.160 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.283 -8.423 2.030 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.937 -10.554 3.256 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.842 -10.567 5.709 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.401 -9.820 4.980 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.664 -8.797 5.703 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.013 -10.448 4.595 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -6.967 -8.671 4.504 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -7.187 -9.633 3.023 1.00 0.00 H new ATOM 1357 N VAL A 81 -3.972 -6.693 4.491 1.00 0.00 N ATOM 1358 CA VAL A 81 -4.130 -5.468 5.262 1.00 0.00 C ATOM 1359 C VAL A 81 -3.951 -4.237 4.368 1.00 0.00 C ATOM 1360 O VAL A 81 -4.628 -3.220 4.543 1.00 0.00 O ATOM 1361 CB VAL A 81 -3.162 -5.417 6.468 1.00 0.00 C ATOM 1362 CG1 VAL A 81 -1.710 -5.338 6.024 1.00 0.00 C ATOM 1363 CG2 VAL A 81 -3.510 -4.258 7.390 1.00 0.00 C ATOM 0 H VAL A 81 -3.075 -7.163 4.614 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.145 -5.462 5.660 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.282 -6.348 7.023 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -1.063 -5.304 6.900 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -1.464 -6.215 5.425 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -1.560 -4.438 5.427 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.817 -4.241 8.231 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -3.435 -3.320 6.840 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -4.528 -4.381 7.761 1.00 0.00 H new ATOM 1373 N LEU A 82 -3.058 -4.344 3.388 1.00 0.00 N ATOM 1374 CA LEU A 82 -2.867 -3.280 2.412 1.00 0.00 C ATOM 1375 C LEU A 82 -4.114 -3.182 1.544 1.00 0.00 C ATOM 1376 O LEU A 82 -4.564 -2.087 1.199 1.00 0.00 O ATOM 1377 CB LEU A 82 -1.617 -3.564 1.562 1.00 0.00 C ATOM 1378 CG LEU A 82 -1.107 -2.406 0.694 1.00 0.00 C ATOM 1379 CD1 LEU A 82 0.363 -2.606 0.370 1.00 0.00 C ATOM 1380 CD2 LEU A 82 -1.902 -2.296 -0.598 1.00 0.00 C ATOM 0 H LEU A 82 -2.457 -5.156 3.250 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.713 -2.327 2.919 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.812 -3.871 2.230 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -1.832 -4.411 0.910 1.00 0.00 H new ATOM 0 HG LEU A 82 -1.235 -1.482 1.258 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.716 -1.779 -0.246 1.00 0.00 H new ATOM 0 HD12 LEU A 82 0.938 -2.640 1.295 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.492 -3.543 -0.172 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -1.518 -1.467 -1.192 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.807 -3.223 -1.164 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.952 -2.119 -0.365 1.00 0.00 H new ATOM 1392 N HIS A 83 -4.678 -4.343 1.222 1.00 0.00 N ATOM 1393 CA HIS A 83 -5.924 -4.423 0.471 1.00 0.00 C ATOM 1394 C HIS A 83 -7.022 -3.628 1.170 1.00 0.00 C ATOM 1395 O HIS A 83 -7.782 -2.902 0.531 1.00 0.00 O ATOM 1396 CB HIS A 83 -6.350 -5.891 0.322 1.00 0.00 C ATOM 1397 CG HIS A 83 -7.631 -6.078 -0.427 1.00 0.00 C ATOM 1398 ND1 HIS A 83 -8.835 -6.317 0.190 1.00 0.00 N ATOM 1399 CD2 HIS A 83 -7.888 -6.048 -1.751 1.00 0.00 C ATOM 1400 CE1 HIS A 83 -9.780 -6.423 -0.721 1.00 0.00 C ATOM 1401 NE2 HIS A 83 -9.231 -6.263 -1.910 1.00 0.00 N ATOM 0 H HIS A 83 -4.285 -5.250 1.474 1.00 0.00 H new ATOM 0 HA HIS A 83 -5.764 -3.995 -0.518 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -5.558 -6.439 -0.189 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -6.453 -6.332 1.314 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -7.168 -5.885 -2.539 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -10.826 -6.609 -0.528 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -9.726 -6.294 -2.801 1.00 0.00 H new ATOM 1410 N GLU A 84 -7.089 -3.772 2.486 1.00 0.00 N ATOM 1411 CA GLU A 84 -8.084 -3.079 3.288 1.00 0.00 C ATOM 1412 C GLU A 84 -7.871 -1.567 3.231 1.00 0.00 C ATOM 1413 O GLU A 84 -8.785 -0.811 2.901 1.00 0.00 O ATOM 1414 CB GLU A 84 -8.003 -3.562 4.740 1.00 0.00 C ATOM 1415 CG GLU A 84 -9.103 -3.017 5.639 1.00 0.00 C ATOM 1416 CD GLU A 84 -10.468 -3.574 5.292 1.00 0.00 C ATOM 1417 OE1 GLU A 84 -11.129 -3.027 4.387 1.00 0.00 O ATOM 1418 OE2 GLU A 84 -10.887 -4.563 5.930 1.00 0.00 O ATOM 0 H GLU A 84 -6.460 -4.368 3.023 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.072 -3.302 2.884 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -8.045 -4.651 4.752 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -7.036 -3.276 5.153 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.870 -3.255 6.677 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -9.127 -1.930 5.559 1.00 0.00 H new ATOM 1425 N ALA A 85 -6.652 -1.139 3.529 1.00 0.00 N ATOM 1426 CA ALA A 85 -6.346 0.281 3.664 1.00 0.00 C ATOM 1427 C ALA A 85 -6.418 1.029 2.332 1.00 0.00 C ATOM 1428 O ALA A 85 -7.014 2.104 2.252 1.00 0.00 O ATOM 1429 CB ALA A 85 -4.970 0.460 4.286 1.00 0.00 C ATOM 0 H ALA A 85 -5.855 -1.757 3.683 1.00 0.00 H new ATOM 0 HA ALA A 85 -7.107 0.711 4.315 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -4.750 1.523 4.383 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -4.953 -0.005 5.271 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.219 -0.009 3.650 1.00 0.00 H new ATOM 1435 N MET A 86 -5.830 0.458 1.287 1.00 0.00 N ATOM 1436 CA MET A 86 -5.688 1.164 0.013 1.00 0.00 C ATOM 1437 C MET A 86 -7.033 1.339 -0.692 1.00 0.00 C ATOM 1438 O MET A 86 -7.189 2.227 -1.530 1.00 0.00 O ATOM 1439 CB MET A 86 -4.706 0.431 -0.901 1.00 0.00 C ATOM 1440 CG MET A 86 -4.151 1.300 -2.018 1.00 0.00 C ATOM 1441 SD MET A 86 -3.199 2.698 -1.386 1.00 0.00 S ATOM 1442 CE MET A 86 -2.620 3.442 -2.908 1.00 0.00 C ATOM 0 H MET A 86 -5.445 -0.486 1.293 1.00 0.00 H new ATOM 0 HA MET A 86 -5.296 2.157 0.234 1.00 0.00 H new ATOM 0 HB2 MET A 86 -3.878 0.052 -0.302 1.00 0.00 H new ATOM 0 HB3 MET A 86 -5.205 -0.434 -1.338 1.00 0.00 H new ATOM 0 HG2 MET A 86 -3.517 0.695 -2.666 1.00 0.00 H new ATOM 0 HG3 MET A 86 -4.973 1.670 -2.631 1.00 0.00 H new ATOM 0 HE1 MET A 86 -2.016 4.320 -2.677 1.00 0.00 H new ATOM 0 HE2 MET A 86 -2.016 2.721 -3.459 1.00 0.00 H new ATOM 0 HE3 MET A 86 -3.475 3.739 -3.516 1.00 0.00 H new ATOM 1452 N SER A 87 -8.009 0.512 -0.339 1.00 0.00 N ATOM 1453 CA SER A 87 -9.337 0.612 -0.935 1.00 0.00 C ATOM 1454 C SER A 87 -10.030 1.910 -0.511 1.00 0.00 C ATOM 1455 O SER A 87 -10.953 2.385 -1.179 1.00 0.00 O ATOM 1456 CB SER A 87 -10.187 -0.599 -0.546 1.00 0.00 C ATOM 1457 OG SER A 87 -9.614 -1.806 -1.027 1.00 0.00 O ATOM 0 H SER A 87 -7.908 -0.231 0.352 1.00 0.00 H new ATOM 0 HA SER A 87 -9.224 0.626 -2.019 1.00 0.00 H new ATOM 0 HB2 SER A 87 -10.282 -0.646 0.539 1.00 0.00 H new ATOM 0 HB3 SER A 87 -11.193 -0.485 -0.950 1.00 0.00 H new ATOM 0 HG SER A 87 -9.151 -2.263 -0.294 1.00 0.00 H new ATOM 1463 N GLN A 88 -9.554 2.506 0.579 1.00 0.00 N ATOM 1464 CA GLN A 88 -10.144 3.732 1.093 1.00 0.00 C ATOM 1465 C GLN A 88 -9.786 4.913 0.192 1.00 0.00 C ATOM 1466 O GLN A 88 -10.459 5.949 0.203 1.00 0.00 O ATOM 1467 CB GLN A 88 -9.689 3.978 2.534 1.00 0.00 C ATOM 1468 CG GLN A 88 -10.535 5.006 3.262 1.00 0.00 C ATOM 1469 CD GLN A 88 -10.890 4.572 4.665 1.00 0.00 C ATOM 1470 OE1 GLN A 88 -10.189 4.885 5.628 1.00 0.00 O ATOM 1471 NE2 GLN A 88 -11.976 3.827 4.786 1.00 0.00 N ATOM 0 H GLN A 88 -8.763 2.158 1.120 1.00 0.00 H new ATOM 0 HA GLN A 88 -11.229 3.627 1.095 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -9.720 3.037 3.083 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -8.651 4.310 2.528 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -9.996 5.953 3.303 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -11.450 5.185 2.698 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -12.528 3.592 3.961 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -12.262 3.488 5.704 1.00 0.00 H new ATOM 1480 N ALA A 89 -8.737 4.741 -0.608 1.00 0.00 N ATOM 1481 CA ALA A 89 -8.354 5.744 -1.593 1.00 0.00 C ATOM 1482 C ALA A 89 -9.450 5.884 -2.643 1.00 0.00 C ATOM 1483 O ALA A 89 -9.697 6.974 -3.167 1.00 0.00 O ATOM 1484 CB ALA A 89 -7.027 5.371 -2.243 1.00 0.00 C ATOM 0 H ALA A 89 -8.138 3.916 -0.592 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.227 6.704 -1.092 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -6.755 6.130 -2.976 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -6.252 5.310 -1.479 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -7.124 4.405 -2.739 1.00 0.00 H new ATOM 1490 N ARG A 90 -10.130 4.779 -2.925 1.00 0.00 N ATOM 1491 CA ARG A 90 -11.237 4.795 -3.864 1.00 0.00 C ATOM 1492 C ARG A 90 -12.451 5.474 -3.233 1.00 0.00 C ATOM 1493 O ARG A 90 -13.190 6.190 -3.906 1.00 0.00 O ATOM 1494 CB ARG A 90 -11.597 3.378 -4.315 1.00 0.00 C ATOM 1495 CG ARG A 90 -12.720 3.357 -5.333 1.00 0.00 C ATOM 1496 CD ARG A 90 -13.011 1.960 -5.851 1.00 0.00 C ATOM 1497 NE ARG A 90 -14.038 1.992 -6.892 1.00 0.00 N ATOM 1498 CZ ARG A 90 -14.613 0.914 -7.426 1.00 0.00 C ATOM 1499 NH1 ARG A 90 -14.263 -0.304 -7.034 1.00 0.00 N ATOM 1500 NH2 ARG A 90 -15.548 1.064 -8.355 1.00 0.00 N ATOM 0 H ARG A 90 -9.933 3.865 -2.517 1.00 0.00 H new ATOM 0 HA ARG A 90 -10.930 5.361 -4.743 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -10.715 2.902 -4.743 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -11.888 2.787 -3.446 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -13.623 3.769 -4.882 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -12.459 4.004 -6.170 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -12.098 1.518 -6.249 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -13.341 1.324 -5.029 1.00 0.00 H new ATOM 0 HE ARG A 90 -14.336 2.905 -7.234 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -13.547 -0.423 -6.317 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -14.710 -1.121 -7.449 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -15.822 1.999 -8.656 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -15.992 0.244 -8.768 1.00 0.00 H new ATOM 1514 N GLU A 91 -12.631 5.262 -1.931 1.00 0.00 N ATOM 1515 CA GLU A 91 -13.725 5.891 -1.193 1.00 0.00 C ATOM 1516 C GLU A 91 -13.567 7.405 -1.188 1.00 0.00 C ATOM 1517 O GLU A 91 -14.551 8.142 -1.165 1.00 0.00 O ATOM 1518 CB GLU A 91 -13.774 5.382 0.248 1.00 0.00 C ATOM 1519 CG GLU A 91 -14.041 3.892 0.371 1.00 0.00 C ATOM 1520 CD GLU A 91 -14.107 3.438 1.816 1.00 0.00 C ATOM 1521 OE1 GLU A 91 -13.043 3.149 2.396 1.00 0.00 O ATOM 1522 OE2 GLU A 91 -15.221 3.362 2.376 1.00 0.00 O ATOM 0 H GLU A 91 -12.034 4.659 -1.365 1.00 0.00 H new ATOM 0 HA GLU A 91 -14.657 5.628 -1.694 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -12.827 5.612 0.735 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -14.550 5.925 0.788 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -14.980 3.651 -0.127 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -13.256 3.340 -0.146 1.00 0.00 H new ATOM 1529 N SER A 92 -12.321 7.862 -1.198 1.00 0.00 N ATOM 1530 CA SER A 92 -12.026 9.286 -1.224 1.00 0.00 C ATOM 1531 C SER A 92 -12.356 9.876 -2.598 1.00 0.00 C ATOM 1532 O SER A 92 -12.460 11.094 -2.757 1.00 0.00 O ATOM 1533 CB SER A 92 -10.552 9.521 -0.871 1.00 0.00 C ATOM 1534 OG SER A 92 -10.277 10.895 -0.655 1.00 0.00 O ATOM 0 H SER A 92 -11.496 7.262 -1.188 1.00 0.00 H new ATOM 0 HA SER A 92 -12.646 9.789 -0.482 1.00 0.00 H new ATOM 0 HB2 SER A 92 -10.297 8.954 0.024 1.00 0.00 H new ATOM 0 HB3 SER A 92 -9.921 9.146 -1.676 1.00 0.00 H new ATOM 0 HG SER A 92 -10.947 11.440 -1.119 1.00 0.00 H new ATOM 1540 N GLY A 93 -12.526 9.000 -3.584 1.00 0.00 N ATOM 1541 CA GLY A 93 -12.907 9.430 -4.915 1.00 0.00 C ATOM 1542 C GLY A 93 -11.729 9.876 -5.749 1.00 0.00 C ATOM 1543 O GLY A 93 -11.905 10.405 -6.847 1.00 0.00 O ATOM 0 H GLY A 93 -12.405 7.992 -3.482 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -13.417 8.612 -5.424 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -13.621 10.250 -4.836 1.00 0.00 H new ATOM 1547 N LEU A 94 -10.523 9.656 -5.241 1.00 0.00 N ATOM 1548 CA LEU A 94 -9.320 10.072 -5.947 1.00 0.00 C ATOM 1549 C LEU A 94 -8.914 9.022 -6.977 1.00 0.00 C ATOM 1550 O LEU A 94 -8.193 9.313 -7.931 1.00 0.00 O ATOM 1551 CB LEU A 94 -8.177 10.330 -4.946 1.00 0.00 C ATOM 1552 CG LEU A 94 -7.664 9.109 -4.171 1.00 0.00 C ATOM 1553 CD1 LEU A 94 -6.557 8.394 -4.936 1.00 0.00 C ATOM 1554 CD2 LEU A 94 -7.175 9.525 -2.796 1.00 0.00 C ATOM 0 H LEU A 94 -10.353 9.194 -4.347 1.00 0.00 H new ATOM 0 HA LEU A 94 -9.529 11.002 -6.477 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.339 10.768 -5.489 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -8.515 11.075 -4.226 1.00 0.00 H new ATOM 0 HG LEU A 94 -8.493 8.412 -4.054 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.215 7.534 -4.361 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.939 8.058 -5.900 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.724 9.079 -5.095 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -6.814 8.649 -2.258 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -6.364 10.246 -2.901 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -7.995 9.980 -2.240 1.00 0.00 H new ATOM 1566 N LEU A 95 -9.395 7.803 -6.779 1.00 0.00 N ATOM 1567 CA LEU A 95 -9.032 6.694 -7.639 1.00 0.00 C ATOM 1568 C LEU A 95 -10.287 6.052 -8.221 1.00 0.00 C ATOM 1569 O LEU A 95 -11.249 5.778 -7.502 1.00 0.00 O ATOM 1570 CB LEU A 95 -8.211 5.674 -6.849 1.00 0.00 C ATOM 1571 CG LEU A 95 -7.380 4.708 -7.693 1.00 0.00 C ATOM 1572 CD1 LEU A 95 -6.447 5.472 -8.619 1.00 0.00 C ATOM 1573 CD2 LEU A 95 -6.584 3.780 -6.793 1.00 0.00 C ATOM 0 H LEU A 95 -10.040 7.560 -6.027 1.00 0.00 H new ATOM 0 HA LEU A 95 -8.423 7.060 -8.466 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -7.541 6.213 -6.178 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -8.889 5.093 -6.224 1.00 0.00 H new ATOM 0 HG LEU A 95 -8.057 4.111 -8.304 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.864 4.767 -9.211 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -7.033 6.106 -9.284 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -5.774 6.092 -8.027 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.996 3.096 -7.405 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -5.917 4.368 -6.163 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -7.267 3.208 -6.164 1.00 0.00 H new ATOM 1585 N LEU A 96 -10.267 5.829 -9.528 1.00 0.00 N ATOM 1586 CA LEU A 96 -11.439 5.343 -10.254 1.00 0.00 C ATOM 1587 C LEU A 96 -11.627 3.835 -10.083 1.00 0.00 C ATOM 1588 O LEU A 96 -12.742 3.326 -10.183 1.00 0.00 O ATOM 1589 CB LEU A 96 -11.342 5.699 -11.750 1.00 0.00 C ATOM 1590 CG LEU A 96 -10.208 5.030 -12.542 1.00 0.00 C ATOM 1591 CD1 LEU A 96 -10.425 5.228 -14.031 1.00 0.00 C ATOM 1592 CD2 LEU A 96 -8.849 5.587 -12.145 1.00 0.00 C ATOM 0 H LEU A 96 -9.446 5.978 -10.114 1.00 0.00 H new ATOM 0 HA LEU A 96 -12.311 5.840 -9.828 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -12.288 5.440 -12.224 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -11.227 6.779 -11.837 1.00 0.00 H new ATOM 0 HG LEU A 96 -10.222 3.965 -12.308 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -9.616 4.750 -14.583 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -11.376 4.782 -14.323 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -10.439 6.294 -14.258 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -8.070 5.092 -12.724 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -8.823 6.659 -12.343 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -8.679 5.410 -11.083 1.00 0.00 H new ATOM 1604 N GLN A 97 -10.541 3.129 -9.815 1.00 0.00 N ATOM 1605 CA GLN A 97 -10.597 1.683 -9.643 1.00 0.00 C ATOM 1606 C GLN A 97 -9.792 1.261 -8.427 1.00 0.00 C ATOM 1607 O GLN A 97 -9.166 2.094 -7.774 1.00 0.00 O ATOM 1608 CB GLN A 97 -10.071 0.973 -10.892 1.00 0.00 C ATOM 1609 CG GLN A 97 -8.712 1.473 -11.355 1.00 0.00 C ATOM 1610 CD GLN A 97 -8.113 0.606 -12.442 1.00 0.00 C ATOM 1611 OE1 GLN A 97 -7.364 -0.331 -12.160 1.00 0.00 O ATOM 1612 NE2 GLN A 97 -8.462 0.888 -13.684 1.00 0.00 N ATOM 0 H GLN A 97 -9.609 3.531 -9.711 1.00 0.00 H new ATOM 0 HA GLN A 97 -11.638 1.398 -9.491 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -10.005 -0.096 -10.690 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -10.790 1.101 -11.701 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -8.811 2.494 -11.723 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -8.031 1.505 -10.504 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -9.085 1.673 -13.873 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -8.109 0.320 -14.454 1.00 0.00 H new ATOM 1621 N ASN A 98 -9.811 -0.030 -8.126 1.00 0.00 N ATOM 1622 CA ASN A 98 -9.064 -0.557 -6.993 1.00 0.00 C ATOM 1623 C ASN A 98 -7.871 -1.360 -7.494 1.00 0.00 C ATOM 1624 O ASN A 98 -8.036 -2.375 -8.173 1.00 0.00 O ATOM 1625 CB ASN A 98 -9.959 -1.429 -6.111 1.00 0.00 C ATOM 1626 CG ASN A 98 -9.582 -1.331 -4.643 1.00 0.00 C ATOM 1627 OD1 ASN A 98 -9.043 -0.320 -4.199 1.00 0.00 O ATOM 1628 ND2 ASN A 98 -9.875 -2.372 -3.880 1.00 0.00 N ATOM 0 H ASN A 98 -10.335 -0.731 -8.650 1.00 0.00 H new ATOM 0 HA ASN A 98 -8.706 0.278 -6.391 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -10.998 -1.127 -6.239 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -9.886 -2.467 -6.435 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -9.653 -2.353 -2.885 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -10.323 -3.193 -4.287 1.00 0.00 H new ATOM 1635 N PRO A 99 -6.649 -0.905 -7.183 1.00 0.00 N ATOM 1636 CA PRO A 99 -5.425 -1.520 -7.695 1.00 0.00 C ATOM 1637 C PRO A 99 -5.016 -2.772 -6.923 1.00 0.00 C ATOM 1638 O PRO A 99 -4.147 -3.522 -7.359 1.00 0.00 O ATOM 1639 CB PRO A 99 -4.390 -0.412 -7.508 1.00 0.00 C ATOM 1640 CG PRO A 99 -4.857 0.344 -6.311 1.00 0.00 C ATOM 1641 CD PRO A 99 -6.362 0.250 -6.307 1.00 0.00 C ATOM 0 HA PRO A 99 -5.539 -1.862 -8.723 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -3.393 -0.824 -7.352 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -4.335 0.231 -8.386 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -4.439 -0.079 -5.397 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -4.533 1.384 -6.358 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -6.750 0.094 -5.300 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -6.820 1.163 -6.687 1.00 0.00 H new ATOM 1649 N THR A 100 -5.655 -3.003 -5.788 1.00 0.00 N ATOM 1650 CA THR A 100 -5.306 -4.127 -4.934 1.00 0.00 C ATOM 1651 C THR A 100 -5.847 -5.443 -5.485 1.00 0.00 C ATOM 1652 O THR A 100 -5.364 -6.520 -5.140 1.00 0.00 O ATOM 1653 CB THR A 100 -5.844 -3.906 -3.513 1.00 0.00 C ATOM 1654 OG1 THR A 100 -7.197 -3.440 -3.576 1.00 0.00 O ATOM 1655 CG2 THR A 100 -4.994 -2.895 -2.762 1.00 0.00 C ATOM 0 H THR A 100 -6.419 -2.426 -5.436 1.00 0.00 H new ATOM 0 HA THR A 100 -4.218 -4.190 -4.908 1.00 0.00 H new ATOM 0 HB THR A 100 -5.805 -4.856 -2.980 1.00 0.00 H new ATOM 0 HG1 THR A 100 -7.784 -4.176 -3.847 1.00 0.00 H new ATOM 0 HG21 THR A 100 -5.396 -2.756 -1.758 1.00 0.00 H new ATOM 0 HG22 THR A 100 -3.969 -3.260 -2.695 1.00 0.00 H new ATOM 0 HG23 THR A 100 -5.007 -1.943 -3.293 1.00 0.00 H new ATOM 1663 N GLU A 101 -6.840 -5.346 -6.356 1.00 0.00 N ATOM 1664 CA GLU A 101 -7.498 -6.526 -6.904 1.00 0.00 C ATOM 1665 C GLU A 101 -6.587 -7.243 -7.895 1.00 0.00 C ATOM 1666 O GLU A 101 -6.679 -8.457 -8.082 1.00 0.00 O ATOM 1667 CB GLU A 101 -8.804 -6.132 -7.598 1.00 0.00 C ATOM 1668 CG GLU A 101 -9.704 -5.232 -6.761 1.00 0.00 C ATOM 1669 CD GLU A 101 -9.992 -5.800 -5.387 1.00 0.00 C ATOM 1670 OE1 GLU A 101 -10.785 -6.758 -5.285 1.00 0.00 O ATOM 1671 OE2 GLU A 101 -9.424 -5.289 -4.401 1.00 0.00 O ATOM 0 H GLU A 101 -7.210 -4.460 -6.700 1.00 0.00 H new ATOM 0 HA GLU A 101 -7.720 -7.203 -6.079 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -8.568 -5.624 -8.533 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -9.353 -7.037 -7.857 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -9.233 -4.255 -6.653 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -10.645 -5.076 -7.289 1.00 0.00 H new ATOM 1678 N ALA A 102 -5.688 -6.489 -8.510 1.00 0.00 N ATOM 1679 CA ALA A 102 -4.829 -7.026 -9.558 1.00 0.00 C ATOM 1680 C ALA A 102 -3.471 -7.473 -9.014 1.00 0.00 C ATOM 1681 O ALA A 102 -2.561 -7.784 -9.780 1.00 0.00 O ATOM 1682 CB ALA A 102 -4.648 -5.998 -10.666 1.00 0.00 C ATOM 0 H ALA A 102 -5.533 -5.502 -8.302 1.00 0.00 H new ATOM 0 HA ALA A 102 -5.320 -7.910 -9.966 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -4.005 -6.410 -11.443 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -5.619 -5.749 -11.093 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -4.190 -5.098 -10.256 1.00 0.00 H new ATOM 1688 N ALA A 103 -3.338 -7.517 -7.696 1.00 0.00 N ATOM 1689 CA ALA A 103 -2.103 -7.979 -7.077 1.00 0.00 C ATOM 1690 C ALA A 103 -2.165 -9.485 -6.838 1.00 0.00 C ATOM 1691 O ALA A 103 -2.828 -9.948 -5.906 1.00 0.00 O ATOM 1692 CB ALA A 103 -1.846 -7.235 -5.775 1.00 0.00 C ATOM 0 H ALA A 103 -4.066 -7.240 -7.037 1.00 0.00 H new ATOM 0 HA ALA A 103 -1.274 -7.771 -7.754 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -0.919 -7.594 -5.328 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -1.762 -6.167 -5.977 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -2.673 -7.410 -5.087 1.00 0.00 H new ATOM 1698 N LYS A 104 -1.488 -10.245 -7.691 1.00 0.00 N ATOM 1699 CA LYS A 104 -1.529 -11.703 -7.628 1.00 0.00 C ATOM 1700 C LYS A 104 -0.174 -12.293 -7.244 1.00 0.00 C ATOM 1701 O LYS A 104 0.739 -12.349 -8.065 1.00 0.00 O ATOM 1702 CB LYS A 104 -1.966 -12.277 -8.979 1.00 0.00 C ATOM 1703 CG LYS A 104 -3.414 -11.989 -9.334 1.00 0.00 C ATOM 1704 CD LYS A 104 -4.368 -12.808 -8.480 1.00 0.00 C ATOM 1705 CE LYS A 104 -5.812 -12.554 -8.871 1.00 0.00 C ATOM 1706 NZ LYS A 104 -6.269 -11.193 -8.480 1.00 0.00 N ATOM 0 H LYS A 104 -0.901 -9.874 -8.438 1.00 0.00 H new ATOM 0 HA LYS A 104 -2.250 -11.975 -6.857 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -1.324 -11.870 -9.760 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -1.813 -13.356 -8.970 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -3.620 -10.928 -9.196 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -3.583 -12.212 -10.387 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -4.140 -13.868 -8.590 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -4.224 -12.559 -7.429 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -5.922 -12.677 -9.948 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -6.451 -13.300 -8.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -7.283 -11.094 -8.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -6.111 -11.053 -7.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -5.733 -10.480 -9.015 1.00 0.00 H new