USER MOD reduce.3.24.130724 H: found=0, std=0, add=896, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 893 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 108 THR OG1 : rot 157:sc= 1.24! USER MOD Set 1.2: A 110 ASN : amide:sc= -15.2! C(o=-14!,f=-16!) USER MOD Set 2.1: A 94 LYS NZ :NH3+ 162:sc= 1.07 (180deg=-0.053) USER MOD Set 2.2: A 103 THR OG1 : rot -169:sc= -1.42! USER MOD Set 3.1: A 40 HIS : no HD1:sc= -3.78! C(o=-4.3!,f=-12!) USER MOD Set 3.2: A 74 SER OG : rot 125:sc= -0.567 USER MOD Single : A 4 LYS NZ :NH3+ 161:sc= -0.039 (180deg=-0.36) USER MOD Single : A 7 MET CE :methyl 141:sc= -0.41 (180deg=-2.95!) USER MOD Single : A 11 LYS NZ :NH3+ 159:sc= -0.0118 (180deg=-0.501) USER MOD Single : A 12 ASN : amide:sc= -0.212 X(o=-0.21,f=-0.41) USER MOD Single : A 19 LYS NZ :NH3+ -109:sc= 0.632 (180deg=-0.259) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -155:sc= -0.202 (180deg=-0.884) USER MOD Single : A 29 ASN :FLIP amide:sc= -1.51 F(o=-5.6!,f=-1.5) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.0121 USER MOD Single : A 37 LYS NZ :NH3+ -160:sc= -2.58! (180deg=-4.04!) USER MOD Single : A 41 TYR OH : rot 165:sc= -1.29 USER MOD Single : A 45 CYS SG : rot -15:sc= -1.47! USER MOD Single : A 47 GLN :FLIP amide:sc= -0.151 F(o=-0.97,f=-0.15) USER MOD Single : A 57 LYS NZ :NH3+ 149:sc= -1.1 (180deg=-2.68!) USER MOD Single : A 62 ASN :FLIP amide:sc= -1.61 F(o=-5.4!,f=-1.6) USER MOD Single : A 66 LYS NZ :NH3+ -116:sc= -0.115 (180deg=-0.713) USER MOD Single : A 67 HIS : no HD1:sc= 0.546 K(o=0.55,f=-4.4!) USER MOD Single : A 68 HIS :FLIP no HD1:sc= -0.136 F(o=-0.75,f=-0.14) USER MOD Single : A 70 THR OG1 : rot 121:sc= -3.45! USER MOD Single : A 77 TYR OH : rot -130:sc= -0.109 USER MOD Single : A 80 HIS : no HD1:sc= -0.0785 K(o=-0.078,f=-2.2!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot 140:sc= -2.89! USER MOD Single : A 85 LYS NZ :NH3+ -163:sc= -0.0175 (180deg=-0.401) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 161:sc= -2.48! (180deg=-3.19!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0115 USER MOD Single : A 97 LYS NZ :NH3+ -121:sc= -1.17 (180deg=-3.27!) USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 LYS NZ :NH3+ 177:sc= -0.876! (180deg=-1.13!) USER MOD Single : A 118 GLN : amide:sc= -3.72! C(o=-3.7!,f=-4!) USER MOD ----------------------------------------------------------------- ATOM 43 N LYS A 4 -6.615 -7.479 86.106 1.00 0.00 N ATOM 44 CA LYS A 4 -6.544 -7.095 87.542 1.00 0.00 C ATOM 45 C LYS A 4 -6.164 -8.309 88.397 1.00 0.00 C ATOM 46 O LYS A 4 -5.081 -8.382 88.943 1.00 0.00 O ATOM 47 CB LYS A 4 -7.910 -6.564 87.979 1.00 0.00 C ATOM 48 CG LYS A 4 -8.304 -5.385 87.085 1.00 0.00 C ATOM 49 CD LYS A 4 -9.610 -4.768 87.590 1.00 0.00 C ATOM 50 CE LYS A 4 -10.114 -3.743 86.573 1.00 0.00 C ATOM 51 NZ LYS A 4 -10.626 -4.453 85.367 1.00 0.00 N ATOM 0 HA LYS A 4 -5.784 -6.325 87.675 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.659 -7.353 87.911 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -7.874 -6.248 89.022 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -7.513 -4.636 87.085 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.424 -5.721 86.055 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -10.358 -5.546 87.740 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -9.449 -4.290 88.556 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.904 -3.135 87.014 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -9.308 -3.064 86.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -11.248 -3.817 84.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -9.826 -4.744 84.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -11.162 -5.294 85.661 1.00 0.00 H new ATOM 65 N GLU A 5 -7.052 -9.254 88.525 1.00 0.00 N ATOM 66 CA GLU A 5 -6.756 -10.458 89.355 1.00 0.00 C ATOM 67 C GLU A 5 -5.396 -11.053 88.967 1.00 0.00 C ATOM 68 O GLU A 5 -4.715 -11.644 89.781 1.00 0.00 O ATOM 69 CB GLU A 5 -7.852 -11.503 89.131 1.00 0.00 C ATOM 70 CG GLU A 5 -7.808 -12.540 90.255 1.00 0.00 C ATOM 71 CD GLU A 5 -8.664 -13.747 89.869 1.00 0.00 C ATOM 72 OE1 GLU A 5 -8.194 -14.553 89.083 1.00 0.00 O ATOM 73 OE2 GLU A 5 -9.774 -13.844 90.365 1.00 0.00 O ATOM 0 H GLU A 5 -7.974 -9.246 88.089 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.725 -10.168 90.405 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -8.829 -11.021 89.105 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -7.712 -11.991 88.166 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -6.780 -12.853 90.436 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -8.175 -12.102 91.183 1.00 0.00 H new ATOM 80 N PHE A 6 -4.998 -10.908 87.735 1.00 0.00 N ATOM 81 CA PHE A 6 -3.688 -11.475 87.304 1.00 0.00 C ATOM 82 C PHE A 6 -2.538 -10.618 87.848 1.00 0.00 C ATOM 83 O PHE A 6 -1.736 -11.077 88.637 1.00 0.00 O ATOM 84 CB PHE A 6 -3.629 -11.514 85.773 1.00 0.00 C ATOM 85 CG PHE A 6 -2.259 -11.973 85.326 1.00 0.00 C ATOM 86 CD1 PHE A 6 -1.786 -13.238 85.700 1.00 0.00 C ATOM 87 CD2 PHE A 6 -1.462 -11.135 84.535 1.00 0.00 C ATOM 88 CE1 PHE A 6 -0.519 -13.663 85.285 1.00 0.00 C ATOM 89 CE2 PHE A 6 -0.195 -11.560 84.122 1.00 0.00 C ATOM 90 CZ PHE A 6 0.276 -12.824 84.496 1.00 0.00 C ATOM 0 H PHE A 6 -5.522 -10.422 87.007 1.00 0.00 H new ATOM 0 HA PHE A 6 -3.588 -12.487 87.697 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -4.393 -12.189 85.387 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -3.842 -10.526 85.366 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -2.400 -13.885 86.309 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -1.826 -10.161 84.244 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -0.155 -14.638 85.573 1.00 0.00 H new ATOM 0 HE2 PHE A 6 0.420 -10.913 83.514 1.00 0.00 H new ATOM 0 HZ PHE A 6 1.254 -13.152 84.175 1.00 0.00 H new ATOM 100 N MET A 7 -2.433 -9.385 87.429 1.00 0.00 N ATOM 101 CA MET A 7 -1.315 -8.528 87.927 1.00 0.00 C ATOM 102 C MET A 7 -1.352 -8.449 89.462 1.00 0.00 C ATOM 103 O MET A 7 -0.330 -8.455 90.127 1.00 0.00 O ATOM 104 CB MET A 7 -1.435 -7.120 87.319 1.00 0.00 C ATOM 105 CG MET A 7 -2.351 -6.240 88.180 1.00 0.00 C ATOM 106 SD MET A 7 -2.674 -4.677 87.323 1.00 0.00 S ATOM 107 CE MET A 7 -3.589 -5.355 85.916 1.00 0.00 C ATOM 0 H MET A 7 -3.067 -8.936 86.768 1.00 0.00 H new ATOM 0 HA MET A 7 -0.364 -8.967 87.625 1.00 0.00 H new ATOM 0 HB2 MET A 7 -0.448 -6.664 87.245 1.00 0.00 H new ATOM 0 HB3 MET A 7 -1.832 -7.187 86.306 1.00 0.00 H new ATOM 0 HG2 MET A 7 -3.289 -6.758 88.378 1.00 0.00 H new ATOM 0 HG3 MET A 7 -1.884 -6.047 89.146 1.00 0.00 H new ATOM 0 HE1 MET A 7 -4.415 -4.690 85.664 1.00 0.00 H new ATOM 0 HE2 MET A 7 -2.922 -5.446 85.058 1.00 0.00 H new ATOM 0 HE3 MET A 7 -3.981 -6.338 86.177 1.00 0.00 H new ATOM 117 N TRP A 8 -2.523 -8.356 90.022 1.00 0.00 N ATOM 118 CA TRP A 8 -2.656 -8.251 91.506 1.00 0.00 C ATOM 119 C TRP A 8 -1.918 -9.393 92.222 1.00 0.00 C ATOM 120 O TRP A 8 -1.759 -9.368 93.424 1.00 0.00 O ATOM 121 CB TRP A 8 -4.140 -8.305 91.873 1.00 0.00 C ATOM 122 CG TRP A 8 -4.324 -7.800 93.263 1.00 0.00 C ATOM 123 CD1 TRP A 8 -4.463 -8.579 94.359 1.00 0.00 C ATOM 124 CD2 TRP A 8 -4.383 -6.423 93.726 1.00 0.00 C ATOM 125 NE1 TRP A 8 -4.607 -7.766 95.467 1.00 0.00 N ATOM 126 CE2 TRP A 8 -4.568 -6.428 95.127 1.00 0.00 C ATOM 127 CE3 TRP A 8 -4.306 -5.181 93.069 1.00 0.00 C ATOM 128 CZ2 TRP A 8 -4.658 -5.242 95.855 1.00 0.00 C ATOM 129 CZ3 TRP A 8 -4.397 -3.985 93.797 1.00 0.00 C ATOM 130 CH2 TRP A 8 -4.578 -4.016 95.188 1.00 0.00 C ATOM 0 H TRP A 8 -3.406 -8.348 89.512 1.00 0.00 H new ATOM 0 HA TRP A 8 -2.211 -7.309 91.825 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -4.721 -7.702 91.175 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -4.509 -9.328 91.794 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -4.462 -9.659 94.367 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -4.727 -8.112 96.419 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -4.176 -5.148 91.997 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -4.789 -5.270 96.927 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -4.327 -3.037 93.285 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -4.656 -3.093 95.743 1.00 0.00 H new ATOM 141 N ALA A 9 -1.479 -10.396 91.511 1.00 0.00 N ATOM 142 CA ALA A 9 -0.772 -11.529 92.181 1.00 0.00 C ATOM 143 C ALA A 9 0.725 -11.230 92.277 1.00 0.00 C ATOM 144 O ALA A 9 1.351 -11.472 93.290 1.00 0.00 O ATOM 145 CB ALA A 9 -0.989 -12.814 91.385 1.00 0.00 C ATOM 0 H ALA A 9 -1.578 -10.482 90.499 1.00 0.00 H new ATOM 0 HA ALA A 9 -1.175 -11.653 93.186 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.472 -13.638 91.876 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.055 -13.034 91.333 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -0.595 -12.688 90.377 1.00 0.00 H new ATOM 151 N LEU A 10 1.296 -10.695 91.239 1.00 0.00 N ATOM 152 CA LEU A 10 2.745 -10.360 91.266 1.00 0.00 C ATOM 153 C LEU A 10 2.959 -9.260 92.303 1.00 0.00 C ATOM 154 O LEU A 10 4.036 -8.715 92.451 1.00 0.00 O ATOM 155 CB LEU A 10 3.170 -9.870 89.880 1.00 0.00 C ATOM 156 CG LEU A 10 2.838 -10.948 88.826 1.00 0.00 C ATOM 157 CD1 LEU A 10 1.547 -10.579 88.091 1.00 0.00 C ATOM 158 CD2 LEU A 10 3.976 -11.046 87.810 1.00 0.00 C ATOM 0 H LEU A 10 0.818 -10.473 90.365 1.00 0.00 H new ATOM 0 HA LEU A 10 3.341 -11.234 91.528 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.656 -8.940 89.638 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.239 -9.655 89.871 1.00 0.00 H new ATOM 0 HG LEU A 10 2.711 -11.905 89.331 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.319 -11.344 87.349 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.727 -10.512 88.806 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.674 -9.618 87.593 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.737 -11.808 87.068 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.104 -10.084 87.314 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.899 -11.316 88.323 1.00 0.00 H new ATOM 170 N LYS A 11 1.912 -8.918 92.999 1.00 0.00 N ATOM 171 CA LYS A 11 1.985 -7.835 94.020 1.00 0.00 C ATOM 172 C LYS A 11 2.382 -8.374 95.403 1.00 0.00 C ATOM 173 O LYS A 11 3.511 -8.239 95.833 1.00 0.00 O ATOM 174 CB LYS A 11 0.602 -7.197 94.117 1.00 0.00 C ATOM 175 CG LYS A 11 0.548 -6.210 95.282 1.00 0.00 C ATOM 176 CD LYS A 11 -0.727 -5.379 95.156 1.00 0.00 C ATOM 177 CE LYS A 11 -1.018 -4.686 96.481 1.00 0.00 C ATOM 178 NZ LYS A 11 0.207 -3.980 96.945 1.00 0.00 N ATOM 0 H LYS A 11 0.993 -9.350 92.902 1.00 0.00 H new ATOM 0 HA LYS A 11 2.745 -7.115 93.716 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.366 -6.682 93.186 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.153 -7.971 94.253 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.559 -6.745 96.232 1.00 0.00 H new ATOM 0 HG3 LYS A 11 1.425 -5.562 95.270 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.614 -4.639 94.364 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -1.564 -6.019 94.877 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.837 -3.977 96.362 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.335 -5.417 97.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -0.056 -3.237 97.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 0.846 -4.659 97.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 0.689 -3.549 96.130 1.00 0.00 H new ATOM 192 N ASN A 12 1.442 -8.931 96.123 1.00 0.00 N ATOM 193 CA ASN A 12 1.727 -9.424 97.503 1.00 0.00 C ATOM 194 C ASN A 12 2.318 -10.835 97.489 1.00 0.00 C ATOM 195 O ASN A 12 2.382 -11.492 98.509 1.00 0.00 O ATOM 196 CB ASN A 12 0.417 -9.440 98.288 1.00 0.00 C ATOM 197 CG ASN A 12 0.711 -9.461 99.789 1.00 0.00 C ATOM 198 OD1 ASN A 12 0.618 -10.494 100.423 1.00 0.00 O ATOM 199 ND2 ASN A 12 1.063 -8.357 100.388 1.00 0.00 N ATOM 0 H ASN A 12 0.481 -9.066 95.810 1.00 0.00 H new ATOM 0 HA ASN A 12 2.457 -8.760 97.965 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -0.178 -8.562 98.037 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -0.172 -10.314 98.012 1.00 0.00 H new ATOM 0 HD21 ASN A 12 1.260 -8.360 101.389 1.00 0.00 H new ATOM 0 HD22 ASN A 12 1.141 -7.490 99.856 1.00 0.00 H new ATOM 206 N GLY A 13 2.769 -11.303 96.366 1.00 0.00 N ATOM 207 CA GLY A 13 3.367 -12.659 96.330 1.00 0.00 C ATOM 208 C GLY A 13 2.294 -13.731 96.178 1.00 0.00 C ATOM 209 O GLY A 13 2.515 -14.877 96.516 1.00 0.00 O ATOM 0 H GLY A 13 2.750 -10.808 95.474 1.00 0.00 H new ATOM 0 HA2 GLY A 13 4.072 -12.726 95.501 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.933 -12.834 97.245 1.00 0.00 H new ATOM 213 N ASP A 14 1.147 -13.400 95.649 1.00 0.00 N ATOM 214 CA ASP A 14 0.116 -14.453 95.462 1.00 0.00 C ATOM 215 C ASP A 14 0.638 -15.399 94.390 1.00 0.00 C ATOM 216 O ASP A 14 -0.017 -15.720 93.415 1.00 0.00 O ATOM 217 CB ASP A 14 -1.206 -13.841 95.026 1.00 0.00 C ATOM 218 CG ASP A 14 -1.386 -12.472 95.688 1.00 0.00 C ATOM 219 OD1 ASP A 14 -0.546 -11.614 95.471 1.00 0.00 O ATOM 220 OD2 ASP A 14 -2.362 -12.306 96.400 1.00 0.00 O ATOM 0 H ASP A 14 0.885 -12.463 95.344 1.00 0.00 H new ATOM 0 HA ASP A 14 -0.065 -14.983 96.397 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.229 -13.737 93.941 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.030 -14.499 95.300 1.00 0.00 H new ATOM 225 N LEU A 15 1.843 -15.813 94.586 1.00 0.00 N ATOM 226 CA LEU A 15 2.536 -16.717 93.642 1.00 0.00 C ATOM 227 C LEU A 15 1.610 -17.870 93.238 1.00 0.00 C ATOM 228 O LEU A 15 1.712 -18.419 92.156 1.00 0.00 O ATOM 229 CB LEU A 15 3.792 -17.229 94.366 1.00 0.00 C ATOM 230 CG LEU A 15 4.631 -18.148 93.470 1.00 0.00 C ATOM 231 CD1 LEU A 15 4.006 -19.550 93.420 1.00 0.00 C ATOM 232 CD2 LEU A 15 4.731 -17.573 92.048 1.00 0.00 C ATOM 0 H LEU A 15 2.403 -15.552 95.397 1.00 0.00 H new ATOM 0 HA LEU A 15 2.814 -16.202 92.723 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.398 -16.381 94.686 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.498 -17.769 95.266 1.00 0.00 H new ATOM 0 HG LEU A 15 5.634 -18.216 93.891 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.609 -20.195 92.781 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.969 -19.968 94.426 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.995 -19.484 93.017 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.330 -18.239 91.427 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.732 -17.481 91.622 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.202 -16.591 92.085 1.00 0.00 H new ATOM 244 N ASP A 16 0.703 -18.230 94.092 1.00 0.00 N ATOM 245 CA ASP A 16 -0.239 -19.326 93.766 1.00 0.00 C ATOM 246 C ASP A 16 -1.169 -18.888 92.630 1.00 0.00 C ATOM 247 O ASP A 16 -1.655 -19.696 91.865 1.00 0.00 O ATOM 248 CB ASP A 16 -1.064 -19.642 95.008 1.00 0.00 C ATOM 249 CG ASP A 16 -0.135 -19.765 96.215 1.00 0.00 C ATOM 250 OD1 ASP A 16 0.927 -20.346 96.063 1.00 0.00 O ATOM 251 OD2 ASP A 16 -0.499 -19.276 97.272 1.00 0.00 O ATOM 0 H ASP A 16 0.572 -17.808 95.011 1.00 0.00 H new ATOM 0 HA ASP A 16 0.315 -20.210 93.449 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.799 -18.856 95.180 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.617 -20.570 94.865 1.00 0.00 H new ATOM 256 N GLU A 17 -1.435 -17.613 92.532 1.00 0.00 N ATOM 257 CA GLU A 17 -2.353 -17.111 91.465 1.00 0.00 C ATOM 258 C GLU A 17 -1.625 -17.022 90.114 1.00 0.00 C ATOM 259 O GLU A 17 -2.136 -17.457 89.096 1.00 0.00 O ATOM 260 CB GLU A 17 -2.875 -15.727 91.863 1.00 0.00 C ATOM 261 CG GLU A 17 -4.109 -15.879 92.758 1.00 0.00 C ATOM 262 CD GLU A 17 -5.328 -16.214 91.896 1.00 0.00 C ATOM 263 OE1 GLU A 17 -5.812 -15.323 91.217 1.00 0.00 O ATOM 264 OE2 GLU A 17 -5.756 -17.356 91.930 1.00 0.00 O ATOM 0 H GLU A 17 -1.055 -16.893 93.147 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.185 -17.807 91.359 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.098 -15.172 92.389 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.129 -15.153 90.972 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -3.943 -16.666 93.493 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.285 -14.957 93.312 1.00 0.00 H new ATOM 271 N VAL A 18 -0.441 -16.472 90.081 1.00 0.00 N ATOM 272 CA VAL A 18 0.283 -16.373 88.776 1.00 0.00 C ATOM 273 C VAL A 18 0.598 -17.785 88.297 1.00 0.00 C ATOM 274 O VAL A 18 0.535 -18.088 87.121 1.00 0.00 O ATOM 275 CB VAL A 18 1.612 -15.613 88.959 1.00 0.00 C ATOM 276 CG1 VAL A 18 1.487 -14.177 88.446 1.00 0.00 C ATOM 277 CG2 VAL A 18 1.993 -15.607 90.442 1.00 0.00 C ATOM 0 H VAL A 18 0.053 -16.091 90.888 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.339 -15.841 88.056 1.00 0.00 H new ATOM 0 HB VAL A 18 2.389 -16.116 88.383 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.435 -13.657 88.584 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.231 -14.190 87.386 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.705 -13.659 89.001 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.932 -15.070 90.574 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.209 -15.114 91.017 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.109 -16.633 90.792 1.00 0.00 H new ATOM 287 N LYS A 19 0.940 -18.642 89.212 1.00 0.00 N ATOM 288 CA LYS A 19 1.276 -20.043 88.851 1.00 0.00 C ATOM 289 C LYS A 19 0.097 -20.695 88.138 1.00 0.00 C ATOM 290 O LYS A 19 0.267 -21.573 87.315 1.00 0.00 O ATOM 291 CB LYS A 19 1.589 -20.816 90.133 1.00 0.00 C ATOM 292 CG LYS A 19 2.152 -22.201 89.795 1.00 0.00 C ATOM 293 CD LYS A 19 2.942 -22.737 90.997 1.00 0.00 C ATOM 294 CE LYS A 19 4.374 -22.180 90.967 1.00 0.00 C ATOM 295 NZ LYS A 19 5.288 -23.207 90.396 1.00 0.00 N ATOM 0 H LYS A 19 1.002 -18.429 90.208 1.00 0.00 H new ATOM 0 HA LYS A 19 2.139 -20.054 88.185 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.309 -20.260 90.734 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.685 -20.920 90.733 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.341 -22.885 89.545 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.798 -22.139 88.919 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.449 -22.449 91.926 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.965 -23.826 90.973 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.410 -21.270 90.368 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.693 -21.911 91.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.897 -23.586 91.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.727 -23.979 89.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.879 -22.774 89.658 1.00 0.00 H new ATOM 309 N ASP A 20 -1.094 -20.280 88.453 1.00 0.00 N ATOM 310 CA ASP A 20 -2.288 -20.882 87.805 1.00 0.00 C ATOM 311 C ASP A 20 -2.278 -20.565 86.307 1.00 0.00 C ATOM 312 O ASP A 20 -2.370 -21.450 85.478 1.00 0.00 O ATOM 313 CB ASP A 20 -3.557 -20.311 88.444 1.00 0.00 C ATOM 314 CG ASP A 20 -4.786 -21.019 87.869 1.00 0.00 C ATOM 315 OD1 ASP A 20 -5.078 -22.116 88.317 1.00 0.00 O ATOM 316 OD2 ASP A 20 -5.415 -20.451 86.992 1.00 0.00 O ATOM 0 H ASP A 20 -1.293 -19.547 89.134 1.00 0.00 H new ATOM 0 HA ASP A 20 -2.268 -21.963 87.942 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.522 -20.442 89.525 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.621 -19.239 88.255 1.00 0.00 H new ATOM 321 N TYR A 21 -2.164 -19.314 85.950 1.00 0.00 N ATOM 322 CA TYR A 21 -2.147 -18.958 84.499 1.00 0.00 C ATOM 323 C TYR A 21 -0.918 -19.583 83.830 1.00 0.00 C ATOM 324 O TYR A 21 -1.005 -20.187 82.780 1.00 0.00 O ATOM 325 CB TYR A 21 -2.089 -17.436 84.348 1.00 0.00 C ATOM 326 CG TYR A 21 -3.423 -16.840 84.732 1.00 0.00 C ATOM 327 CD1 TYR A 21 -3.737 -16.642 86.082 1.00 0.00 C ATOM 328 CD2 TYR A 21 -4.342 -16.481 83.740 1.00 0.00 C ATOM 329 CE1 TYR A 21 -4.974 -16.090 86.439 1.00 0.00 C ATOM 330 CE2 TYR A 21 -5.578 -15.930 84.097 1.00 0.00 C ATOM 331 CZ TYR A 21 -5.894 -15.732 85.446 1.00 0.00 C ATOM 332 OH TYR A 21 -7.112 -15.188 85.796 1.00 0.00 O ATOM 0 H TYR A 21 -2.082 -18.527 86.594 1.00 0.00 H new ATOM 0 HA TYR A 21 -3.051 -19.338 84.023 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.301 -17.027 84.980 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.843 -17.171 83.320 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -3.026 -16.915 86.848 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -4.098 -16.629 82.699 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -5.218 -15.941 87.480 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -6.289 -15.657 83.331 1.00 0.00 H new ATOM 0 HH TYR A 21 -7.629 -14.996 84.986 1.00 0.00 H new ATOM 342 N VAL A 22 0.229 -19.432 84.431 1.00 0.00 N ATOM 343 CA VAL A 22 1.471 -20.007 83.845 1.00 0.00 C ATOM 344 C VAL A 22 1.450 -21.533 83.972 1.00 0.00 C ATOM 345 O VAL A 22 2.107 -22.232 83.228 1.00 0.00 O ATOM 346 CB VAL A 22 2.681 -19.428 84.579 1.00 0.00 C ATOM 347 CG1 VAL A 22 3.951 -20.160 84.150 1.00 0.00 C ATOM 348 CG2 VAL A 22 2.804 -17.946 84.228 1.00 0.00 C ATOM 0 H VAL A 22 0.360 -18.931 85.310 1.00 0.00 H new ATOM 0 HA VAL A 22 1.534 -19.751 82.787 1.00 0.00 H new ATOM 0 HB VAL A 22 2.550 -19.550 85.654 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.808 -19.741 84.678 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.859 -21.219 84.390 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.093 -20.043 83.076 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.664 -17.520 84.745 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.937 -17.837 83.152 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.899 -17.423 84.537 1.00 0.00 H new ATOM 358 N ALA A 23 0.702 -22.060 84.905 1.00 0.00 N ATOM 359 CA ALA A 23 0.651 -23.541 85.062 1.00 0.00 C ATOM 360 C ALA A 23 0.089 -24.153 83.780 1.00 0.00 C ATOM 361 O ALA A 23 0.284 -25.317 83.492 1.00 0.00 O ATOM 362 CB ALA A 23 -0.253 -23.910 86.243 1.00 0.00 C ATOM 0 H ALA A 23 0.127 -21.531 85.561 1.00 0.00 H new ATOM 0 HA ALA A 23 1.654 -23.924 85.251 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.285 -24.994 86.352 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.142 -23.465 87.156 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.260 -23.533 86.062 1.00 0.00 H new ATOM 368 N LYS A 24 -0.600 -23.370 83.002 1.00 0.00 N ATOM 369 CA LYS A 24 -1.172 -23.893 81.734 1.00 0.00 C ATOM 370 C LYS A 24 -0.047 -24.453 80.865 1.00 0.00 C ATOM 371 O LYS A 24 0.114 -25.651 80.734 1.00 0.00 O ATOM 372 CB LYS A 24 -1.885 -22.757 80.992 1.00 0.00 C ATOM 373 CG LYS A 24 -3.341 -22.668 81.461 1.00 0.00 C ATOM 374 CD LYS A 24 -3.382 -22.405 82.969 1.00 0.00 C ATOM 375 CE LYS A 24 -4.833 -22.217 83.416 1.00 0.00 C ATOM 376 NZ LYS A 24 -5.440 -21.076 82.673 1.00 0.00 N ATOM 0 H LYS A 24 -0.792 -22.386 83.191 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.888 -24.686 81.952 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -1.375 -21.812 81.177 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -1.849 -22.933 79.917 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.857 -21.869 80.929 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.865 -23.595 81.229 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.930 -23.239 83.507 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.798 -21.517 83.210 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.402 -23.128 83.232 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -4.872 -22.028 84.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.222 -20.676 83.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.719 -20.344 82.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.803 -21.411 81.758 1.00 0.00 H new ATOM 390 N GLY A 25 0.731 -23.601 80.262 1.00 0.00 N ATOM 391 CA GLY A 25 1.837 -24.100 79.401 1.00 0.00 C ATOM 392 C GLY A 25 2.776 -22.962 79.001 1.00 0.00 C ATOM 393 O GLY A 25 2.625 -22.359 77.959 1.00 0.00 O ATOM 0 H GLY A 25 0.650 -22.586 80.327 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.398 -24.869 79.932 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.424 -24.567 78.507 1.00 0.00 H new ATOM 397 N GLU A 26 3.752 -22.688 79.822 1.00 0.00 N ATOM 398 CA GLU A 26 4.748 -21.612 79.519 1.00 0.00 C ATOM 399 C GLU A 26 4.103 -20.461 78.741 1.00 0.00 C ATOM 400 O GLU A 26 3.941 -20.518 77.537 1.00 0.00 O ATOM 401 CB GLU A 26 5.921 -22.187 78.712 1.00 0.00 C ATOM 402 CG GLU A 26 5.410 -23.190 77.677 1.00 0.00 C ATOM 403 CD GLU A 26 6.585 -23.681 76.831 1.00 0.00 C ATOM 404 OE1 GLU A 26 7.632 -23.055 76.888 1.00 0.00 O ATOM 405 OE2 GLU A 26 6.420 -24.672 76.140 1.00 0.00 O ATOM 0 H GLU A 26 3.907 -23.171 80.707 1.00 0.00 H new ATOM 0 HA GLU A 26 5.116 -21.222 80.468 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.458 -21.381 78.213 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.629 -22.674 79.383 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.928 -24.031 78.175 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.658 -22.723 77.041 1.00 0.00 H new ATOM 412 N ASP A 27 3.764 -19.406 79.424 1.00 0.00 N ATOM 413 CA ASP A 27 3.159 -18.224 78.750 1.00 0.00 C ATOM 414 C ASP A 27 3.729 -16.974 79.413 1.00 0.00 C ATOM 415 O ASP A 27 3.113 -15.926 79.437 1.00 0.00 O ATOM 416 CB ASP A 27 1.635 -18.249 78.916 1.00 0.00 C ATOM 417 CG ASP A 27 0.988 -17.337 77.870 1.00 0.00 C ATOM 418 OD1 ASP A 27 1.495 -17.286 76.761 1.00 0.00 O ATOM 419 OD2 ASP A 27 -0.003 -16.705 78.196 1.00 0.00 O ATOM 0 H ASP A 27 3.881 -19.310 80.433 1.00 0.00 H new ATOM 0 HA ASP A 27 3.388 -18.234 77.684 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.264 -19.268 78.804 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.363 -17.919 79.919 1.00 0.00 H new ATOM 424 N VAL A 28 4.903 -17.093 79.970 1.00 0.00 N ATOM 425 CA VAL A 28 5.535 -15.938 80.660 1.00 0.00 C ATOM 426 C VAL A 28 6.305 -15.081 79.652 1.00 0.00 C ATOM 427 O VAL A 28 7.515 -15.144 79.558 1.00 0.00 O ATOM 428 CB VAL A 28 6.492 -16.475 81.722 1.00 0.00 C ATOM 429 CG1 VAL A 28 5.693 -17.269 82.756 1.00 0.00 C ATOM 430 CG2 VAL A 28 7.533 -17.405 81.070 1.00 0.00 C ATOM 0 H VAL A 28 5.455 -17.951 79.975 1.00 0.00 H new ATOM 0 HA VAL A 28 4.768 -15.319 81.125 1.00 0.00 H new ATOM 0 HB VAL A 28 7.004 -15.640 82.201 1.00 0.00 H new ATOM 0 HG11 VAL A 28 6.369 -17.656 83.519 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.954 -16.618 83.223 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.186 -18.099 82.265 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.212 -17.784 81.834 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.024 -18.241 80.590 1.00 0.00 H new ATOM 0 HG23 VAL A 28 8.101 -16.849 80.324 1.00 0.00 H new ATOM 440 N ASN A 29 5.610 -14.277 78.903 1.00 0.00 N ATOM 441 CA ASN A 29 6.290 -13.415 77.906 1.00 0.00 C ATOM 442 C ASN A 29 5.266 -12.505 77.215 1.00 0.00 C ATOM 443 O ASN A 29 5.622 -11.547 76.557 1.00 0.00 O ATOM 444 CB ASN A 29 6.978 -14.297 76.863 1.00 0.00 C ATOM 445 CG ASN A 29 6.073 -15.475 76.510 1.00 0.00 C ATOM 446 OD1 ASN A 29 5.988 -16.485 77.328 1.00 0.00 O flip ATOM 447 ND2 ASN A 29 5.438 -15.477 75.474 1.00 0.00 N flip ATOM 0 H ASN A 29 4.595 -14.180 78.939 1.00 0.00 H new ATOM 0 HA ASN A 29 7.031 -12.796 78.411 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.199 -13.715 75.969 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.930 -14.660 77.250 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.505 -14.686 74.833 1.00 0.00 H new ATOM 0 HD22 ASN A 29 4.838 -16.270 75.245 1.00 0.00 H new ATOM 454 N ARG A 30 4.000 -12.789 77.361 1.00 0.00 N ATOM 455 CA ARG A 30 2.967 -11.939 76.721 1.00 0.00 C ATOM 456 C ARG A 30 2.916 -10.599 77.441 1.00 0.00 C ATOM 457 O ARG A 30 3.208 -10.495 78.617 1.00 0.00 O ATOM 458 CB ARG A 30 1.598 -12.620 76.820 1.00 0.00 C ATOM 459 CG ARG A 30 1.492 -13.365 78.152 1.00 0.00 C ATOM 460 CD ARG A 30 0.017 -13.606 78.493 1.00 0.00 C ATOM 461 NE ARG A 30 -0.757 -13.820 77.237 1.00 0.00 N ATOM 462 CZ ARG A 30 -1.958 -14.331 77.289 1.00 0.00 C ATOM 463 NH1 ARG A 30 -2.479 -14.655 78.440 1.00 0.00 N ATOM 464 NH2 ARG A 30 -2.638 -14.516 76.190 1.00 0.00 N ATOM 0 H ARG A 30 3.640 -13.577 77.899 1.00 0.00 H new ATOM 0 HA ARG A 30 3.217 -11.790 75.670 1.00 0.00 H new ATOM 0 HB2 ARG A 30 0.804 -11.877 76.743 1.00 0.00 H new ATOM 0 HB3 ARG A 30 1.465 -13.315 75.991 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.021 -14.316 78.091 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.968 -12.785 78.943 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -0.079 -14.475 79.144 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -0.385 -12.753 79.039 1.00 0.00 H new ATOM 0 HE ARG A 30 -0.349 -13.567 76.337 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -1.949 -14.509 79.299 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -3.417 -15.054 78.481 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -2.231 -14.261 75.290 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -3.576 -14.915 76.232 1.00 0.00 H new ATOM 478 N THR A 31 2.544 -9.576 76.743 1.00 0.00 N ATOM 479 CA THR A 31 2.465 -8.230 77.377 1.00 0.00 C ATOM 480 C THR A 31 1.506 -8.283 78.568 1.00 0.00 C ATOM 481 O THR A 31 0.572 -9.060 78.595 1.00 0.00 O ATOM 482 CB THR A 31 1.975 -7.198 76.356 1.00 0.00 C ATOM 483 OG1 THR A 31 2.579 -7.459 75.097 1.00 0.00 O ATOM 484 CG2 THR A 31 2.362 -5.792 76.825 1.00 0.00 C ATOM 0 H THR A 31 2.289 -9.607 75.756 1.00 0.00 H new ATOM 0 HA THR A 31 3.456 -7.937 77.725 1.00 0.00 H new ATOM 0 HB THR A 31 0.891 -7.264 76.262 1.00 0.00 H new ATOM 0 HG1 THR A 31 2.266 -6.801 74.441 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.014 -5.057 76.099 1.00 0.00 H new ATOM 0 HG22 THR A 31 1.902 -5.592 77.793 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.446 -5.725 76.917 1.00 0.00 H new ATOM 492 N LEU A 32 1.742 -7.469 79.560 1.00 0.00 N ATOM 493 CA LEU A 32 0.863 -7.474 80.762 1.00 0.00 C ATOM 494 C LEU A 32 -0.469 -6.777 80.462 1.00 0.00 C ATOM 495 O LEU A 32 -1.332 -7.318 79.802 1.00 0.00 O ATOM 496 CB LEU A 32 1.575 -6.737 81.897 1.00 0.00 C ATOM 497 CG LEU A 32 0.867 -7.022 83.241 1.00 0.00 C ATOM 498 CD1 LEU A 32 1.818 -7.772 84.174 1.00 0.00 C ATOM 499 CD2 LEU A 32 0.457 -5.700 83.897 1.00 0.00 C ATOM 0 H LEU A 32 2.510 -6.798 79.589 1.00 0.00 H new ATOM 0 HA LEU A 32 0.658 -8.506 81.048 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.616 -7.055 81.951 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.579 -5.665 81.699 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.019 -7.629 83.057 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.316 -7.972 85.121 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.112 -8.715 83.713 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.705 -7.165 84.354 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.042 -5.903 84.844 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.344 -5.093 84.077 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.223 -5.162 83.237 1.00 0.00 H new ATOM 511 N GLU A 33 -0.643 -5.585 80.971 1.00 0.00 N ATOM 512 CA GLU A 33 -1.915 -4.843 80.758 1.00 0.00 C ATOM 513 C GLU A 33 -1.972 -4.265 79.334 1.00 0.00 C ATOM 514 O GLU A 33 -3.013 -4.274 78.706 1.00 0.00 O ATOM 515 CB GLU A 33 -2.001 -3.724 81.812 1.00 0.00 C ATOM 516 CG GLU A 33 -2.766 -2.508 81.268 1.00 0.00 C ATOM 517 CD GLU A 33 -4.104 -2.954 80.675 1.00 0.00 C ATOM 518 OE1 GLU A 33 -4.585 -4.004 81.071 1.00 0.00 O ATOM 519 OE2 GLU A 33 -4.626 -2.240 79.834 1.00 0.00 O ATOM 0 H GLU A 33 0.052 -5.091 81.531 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.765 -5.517 80.868 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.498 -4.100 82.706 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.997 -3.422 82.109 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.936 -1.787 82.068 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.171 -2.005 80.506 1.00 0.00 H new ATOM 526 N GLY A 34 -0.884 -3.759 78.812 1.00 0.00 N ATOM 527 CA GLY A 34 -0.945 -3.191 77.431 1.00 0.00 C ATOM 528 C GLY A 34 0.457 -2.892 76.894 1.00 0.00 C ATOM 529 O GLY A 34 0.664 -2.819 75.698 1.00 0.00 O ATOM 0 H GLY A 34 0.026 -3.714 79.270 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -1.449 -3.894 76.768 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -1.538 -2.276 77.437 1.00 0.00 H new ATOM 533 N GLY A 35 1.420 -2.713 77.751 1.00 0.00 N ATOM 534 CA GLY A 35 2.796 -2.417 77.255 1.00 0.00 C ATOM 535 C GLY A 35 3.832 -2.715 78.340 1.00 0.00 C ATOM 536 O GLY A 35 4.926 -2.188 78.316 1.00 0.00 O ATOM 0 H GLY A 35 1.319 -2.758 78.765 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.006 -3.016 76.369 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.864 -1.371 76.956 1.00 0.00 H new ATOM 540 N ARG A 36 3.503 -3.552 79.294 1.00 0.00 N ATOM 541 CA ARG A 36 4.482 -3.872 80.379 1.00 0.00 C ATOM 542 C ARG A 36 4.716 -5.387 80.460 1.00 0.00 C ATOM 543 O ARG A 36 4.265 -6.143 79.620 1.00 0.00 O ATOM 544 CB ARG A 36 3.947 -3.343 81.715 1.00 0.00 C ATOM 545 CG ARG A 36 3.145 -2.049 81.474 1.00 0.00 C ATOM 546 CD ARG A 36 3.237 -1.141 82.702 1.00 0.00 C ATOM 547 NE ARG A 36 4.668 -0.914 83.059 1.00 0.00 N ATOM 548 CZ ARG A 36 4.994 0.061 83.864 1.00 0.00 C ATOM 549 NH1 ARG A 36 4.065 0.832 84.357 1.00 0.00 N ATOM 550 NH2 ARG A 36 6.245 0.267 84.178 1.00 0.00 N ATOM 0 H ARG A 36 2.603 -4.026 79.368 1.00 0.00 H new ATOM 0 HA ARG A 36 5.435 -3.393 80.156 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.313 -4.093 82.187 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.774 -3.149 82.398 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.532 -1.529 80.597 1.00 0.00 H new ATOM 0 HG3 ARG A 36 2.102 -2.291 81.267 1.00 0.00 H new ATOM 0 HD2 ARG A 36 2.748 -0.188 82.498 1.00 0.00 H new ATOM 0 HD3 ARG A 36 2.711 -1.596 83.542 1.00 0.00 H new ATOM 0 HE ARG A 36 5.392 -1.521 82.674 1.00 0.00 H new ATOM 0 HH11 ARG A 36 3.087 0.672 84.113 1.00 0.00 H new ATOM 0 HH12 ARG A 36 4.316 1.595 84.986 1.00 0.00 H new ATOM 0 HH21 ARG A 36 6.973 -0.335 83.794 1.00 0.00 H new ATOM 0 HH22 ARG A 36 6.494 1.030 84.807 1.00 0.00 H new ATOM 564 N LYS A 37 5.446 -5.828 81.458 1.00 0.00 N ATOM 565 CA LYS A 37 5.745 -7.289 81.602 1.00 0.00 C ATOM 566 C LYS A 37 5.623 -7.691 83.096 1.00 0.00 C ATOM 567 O LYS A 37 6.128 -6.993 83.952 1.00 0.00 O ATOM 568 CB LYS A 37 7.178 -7.524 81.103 1.00 0.00 C ATOM 569 CG LYS A 37 7.375 -8.981 80.666 1.00 0.00 C ATOM 570 CD LYS A 37 7.717 -9.838 81.882 1.00 0.00 C ATOM 571 CE LYS A 37 7.583 -11.319 81.525 1.00 0.00 C ATOM 572 NZ LYS A 37 8.474 -12.108 82.411 1.00 0.00 N ATOM 0 H LYS A 37 5.850 -5.235 82.183 1.00 0.00 H new ATOM 0 HA LYS A 37 5.045 -7.891 81.023 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.390 -6.858 80.267 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.887 -7.278 81.893 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.469 -9.354 80.189 1.00 0.00 H new ATOM 0 HG3 LYS A 37 8.174 -9.045 79.927 1.00 0.00 H new ATOM 0 HD2 LYS A 37 8.733 -9.625 82.215 1.00 0.00 H new ATOM 0 HD3 LYS A 37 7.052 -9.592 82.710 1.00 0.00 H new ATOM 0 HE2 LYS A 37 6.549 -11.644 81.644 1.00 0.00 H new ATOM 0 HE3 LYS A 37 7.850 -11.481 80.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 8.657 -13.037 81.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 9.374 -11.602 82.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 8.017 -12.239 83.336 1.00 0.00 H new ATOM 586 N PRO A 38 4.960 -8.802 83.377 1.00 0.00 N ATOM 587 CA PRO A 38 4.773 -9.286 84.771 1.00 0.00 C ATOM 588 C PRO A 38 6.101 -9.549 85.517 1.00 0.00 C ATOM 589 O PRO A 38 6.104 -10.190 86.552 1.00 0.00 O ATOM 590 CB PRO A 38 3.984 -10.599 84.627 1.00 0.00 C ATOM 591 CG PRO A 38 3.765 -10.860 83.116 1.00 0.00 C ATOM 592 CD PRO A 38 4.344 -9.665 82.344 1.00 0.00 C ATOM 0 HA PRO A 38 4.261 -8.529 85.365 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.531 -11.425 85.081 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.027 -10.528 85.144 1.00 0.00 H new ATOM 0 HG2 PRO A 38 4.256 -11.785 82.813 1.00 0.00 H new ATOM 0 HG3 PRO A 38 2.703 -10.977 82.899 1.00 0.00 H new ATOM 0 HD2 PRO A 38 5.082 -9.990 81.610 1.00 0.00 H new ATOM 0 HD3 PRO A 38 3.565 -9.133 81.799 1.00 0.00 H new ATOM 600 N LEU A 39 7.222 -9.075 85.037 1.00 0.00 N ATOM 601 CA LEU A 39 8.507 -9.330 85.777 1.00 0.00 C ATOM 602 C LEU A 39 8.886 -8.064 86.556 1.00 0.00 C ATOM 603 O LEU A 39 9.667 -8.096 87.488 1.00 0.00 O ATOM 604 CB LEU A 39 9.606 -9.704 84.768 1.00 0.00 C ATOM 605 CG LEU A 39 10.918 -10.153 85.463 1.00 0.00 C ATOM 606 CD1 LEU A 39 10.639 -10.889 86.781 1.00 0.00 C ATOM 607 CD2 LEU A 39 11.689 -11.101 84.526 1.00 0.00 C ATOM 0 H LEU A 39 7.310 -8.530 84.179 1.00 0.00 H new ATOM 0 HA LEU A 39 8.389 -10.155 86.480 1.00 0.00 H new ATOM 0 HB2 LEU A 39 9.246 -10.506 84.124 1.00 0.00 H new ATOM 0 HB3 LEU A 39 9.813 -8.848 84.126 1.00 0.00 H new ATOM 0 HG LEU A 39 11.502 -9.259 85.683 1.00 0.00 H new ATOM 0 HD11 LEU A 39 11.583 -11.188 87.238 1.00 0.00 H new ATOM 0 HD12 LEU A 39 10.100 -10.228 87.460 1.00 0.00 H new ATOM 0 HD13 LEU A 39 10.036 -11.775 86.582 1.00 0.00 H new ATOM 0 HD21 LEU A 39 12.612 -11.420 85.010 1.00 0.00 H new ATOM 0 HD22 LEU A 39 11.075 -11.974 84.306 1.00 0.00 H new ATOM 0 HD23 LEU A 39 11.927 -10.581 83.598 1.00 0.00 H new ATOM 619 N HIS A 40 8.323 -6.950 86.179 1.00 0.00 N ATOM 620 CA HIS A 40 8.630 -5.672 86.884 1.00 0.00 C ATOM 621 C HIS A 40 7.928 -5.660 88.247 1.00 0.00 C ATOM 622 O HIS A 40 8.506 -5.286 89.250 1.00 0.00 O ATOM 623 CB HIS A 40 8.122 -4.507 86.028 1.00 0.00 C ATOM 624 CG HIS A 40 8.306 -3.205 86.758 1.00 0.00 C ATOM 625 ND1 HIS A 40 9.491 -2.489 86.706 1.00 0.00 N ATOM 626 CD2 HIS A 40 7.456 -2.467 87.545 1.00 0.00 C ATOM 627 CE1 HIS A 40 9.323 -1.373 87.438 1.00 0.00 C ATOM 628 NE2 HIS A 40 8.100 -1.310 87.972 1.00 0.00 N ATOM 0 H HIS A 40 7.660 -6.869 85.409 1.00 0.00 H new ATOM 0 HA HIS A 40 9.705 -5.576 87.038 1.00 0.00 H new ATOM 0 HB2 HIS A 40 8.661 -4.480 85.081 1.00 0.00 H new ATOM 0 HB3 HIS A 40 7.068 -4.653 85.791 1.00 0.00 H new ATOM 0 HD2 HIS A 40 6.442 -2.743 87.794 1.00 0.00 H new ATOM 0 HE1 HIS A 40 10.084 -0.620 87.577 1.00 0.00 H new ATOM 0 HE2 HIS A 40 7.720 -0.572 88.565 1.00 0.00 H new ATOM 636 N TYR A 41 6.692 -6.083 88.291 1.00 0.00 N ATOM 637 CA TYR A 41 5.957 -6.114 89.589 1.00 0.00 C ATOM 638 C TYR A 41 6.558 -7.209 90.460 1.00 0.00 C ATOM 639 O TYR A 41 6.773 -7.035 91.644 1.00 0.00 O ATOM 640 CB TYR A 41 4.485 -6.428 89.338 1.00 0.00 C ATOM 641 CG TYR A 41 4.007 -5.610 88.173 1.00 0.00 C ATOM 642 CD1 TYR A 41 4.321 -6.000 86.866 1.00 0.00 C ATOM 643 CD2 TYR A 41 3.258 -4.456 88.401 1.00 0.00 C ATOM 644 CE1 TYR A 41 3.884 -5.230 85.785 1.00 0.00 C ATOM 645 CE2 TYR A 41 2.820 -3.687 87.323 1.00 0.00 C ATOM 646 CZ TYR A 41 3.132 -4.073 86.015 1.00 0.00 C ATOM 647 OH TYR A 41 2.699 -3.314 84.952 1.00 0.00 O ATOM 0 H TYR A 41 6.160 -6.408 87.484 1.00 0.00 H new ATOM 0 HA TYR A 41 6.040 -5.146 90.084 1.00 0.00 H new ATOM 0 HB2 TYR A 41 4.356 -7.490 89.131 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.894 -6.202 90.226 1.00 0.00 H new ATOM 0 HD1 TYR A 41 4.900 -6.895 86.693 1.00 0.00 H new ATOM 0 HD2 TYR A 41 3.017 -4.158 89.411 1.00 0.00 H new ATOM 0 HE1 TYR A 41 4.126 -5.527 84.775 1.00 0.00 H new ATOM 0 HE2 TYR A 41 2.240 -2.793 87.498 1.00 0.00 H new ATOM 0 HH TYR A 41 2.002 -2.695 85.255 1.00 0.00 H new ATOM 657 N ALA A 42 6.848 -8.336 89.871 1.00 0.00 N ATOM 658 CA ALA A 42 7.452 -9.442 90.652 1.00 0.00 C ATOM 659 C ALA A 42 8.783 -8.940 91.177 1.00 0.00 C ATOM 660 O ALA A 42 9.049 -8.934 92.361 1.00 0.00 O ATOM 661 CB ALA A 42 7.700 -10.640 89.730 1.00 0.00 C ATOM 0 H ALA A 42 6.692 -8.535 88.883 1.00 0.00 H new ATOM 0 HA ALA A 42 6.795 -9.749 91.466 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.144 -11.454 90.303 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.754 -10.971 89.302 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.379 -10.348 88.929 1.00 0.00 H new ATOM 667 N ALA A 43 9.612 -8.490 90.289 1.00 0.00 N ATOM 668 CA ALA A 43 10.925 -7.962 90.709 1.00 0.00 C ATOM 669 C ALA A 43 10.695 -6.871 91.757 1.00 0.00 C ATOM 670 O ALA A 43 11.153 -6.965 92.879 1.00 0.00 O ATOM 671 CB ALA A 43 11.627 -7.359 89.488 1.00 0.00 C ATOM 0 H ALA A 43 9.434 -8.466 89.285 1.00 0.00 H new ATOM 0 HA ALA A 43 11.542 -8.756 91.130 1.00 0.00 H new ATOM 0 HB1 ALA A 43 12.599 -6.965 89.785 1.00 0.00 H new ATOM 0 HB2 ALA A 43 11.764 -8.130 88.730 1.00 0.00 H new ATOM 0 HB3 ALA A 43 11.018 -6.553 89.080 1.00 0.00 H new ATOM 677 N ASP A 44 9.991 -5.833 91.391 1.00 0.00 N ATOM 678 CA ASP A 44 9.730 -4.707 92.337 1.00 0.00 C ATOM 679 C ASP A 44 9.034 -5.188 93.617 1.00 0.00 C ATOM 680 O ASP A 44 9.300 -4.688 94.690 1.00 0.00 O ATOM 681 CB ASP A 44 8.847 -3.666 91.649 1.00 0.00 C ATOM 682 CG ASP A 44 9.645 -2.976 90.541 1.00 0.00 C ATOM 683 OD1 ASP A 44 10.733 -3.441 90.243 1.00 0.00 O ATOM 684 OD2 ASP A 44 9.155 -1.994 90.011 1.00 0.00 O ATOM 0 H ASP A 44 9.580 -5.715 90.465 1.00 0.00 H new ATOM 0 HA ASP A 44 10.690 -4.274 92.616 1.00 0.00 H new ATOM 0 HB2 ASP A 44 7.961 -4.144 91.231 1.00 0.00 H new ATOM 0 HB3 ASP A 44 8.500 -2.930 92.375 1.00 0.00 H new ATOM 689 N CYS A 45 8.143 -6.138 93.527 1.00 0.00 N ATOM 690 CA CYS A 45 7.438 -6.606 94.761 1.00 0.00 C ATOM 691 C CYS A 45 6.872 -7.998 94.520 1.00 0.00 C ATOM 692 O CYS A 45 5.674 -8.194 94.495 1.00 0.00 O ATOM 693 CB CYS A 45 6.274 -5.662 95.085 1.00 0.00 C ATOM 694 SG CYS A 45 6.861 -3.950 95.151 1.00 0.00 S ATOM 0 H CYS A 45 7.873 -6.608 92.663 1.00 0.00 H new ATOM 0 HA CYS A 45 8.146 -6.621 95.589 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.496 -5.759 94.328 1.00 0.00 H new ATOM 0 HB3 CYS A 45 5.826 -5.938 96.040 1.00 0.00 H new ATOM 0 HG CYS A 45 8.159 -3.939 95.226 1.00 0.00 H new ATOM 700 N GLY A 46 7.724 -8.966 94.336 1.00 0.00 N ATOM 701 CA GLY A 46 7.238 -10.354 94.087 1.00 0.00 C ATOM 702 C GLY A 46 7.611 -11.255 95.258 1.00 0.00 C ATOM 703 O GLY A 46 7.805 -12.440 95.092 1.00 0.00 O ATOM 0 H GLY A 46 8.738 -8.858 94.347 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.157 -10.350 93.950 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.674 -10.741 93.166 1.00 0.00 H new ATOM 707 N GLN A 47 7.751 -10.718 96.440 1.00 0.00 N ATOM 708 CA GLN A 47 8.153 -11.592 97.573 1.00 0.00 C ATOM 709 C GLN A 47 9.439 -12.312 97.141 1.00 0.00 C ATOM 710 O GLN A 47 9.927 -13.223 97.779 1.00 0.00 O ATOM 711 CB GLN A 47 7.023 -12.587 97.863 1.00 0.00 C ATOM 712 CG GLN A 47 7.096 -13.069 99.316 1.00 0.00 C ATOM 713 CD GLN A 47 6.443 -12.037 100.247 1.00 0.00 C ATOM 714 OE1 GLN A 47 5.349 -11.426 99.872 1.00 0.00 O flip ATOM 715 NE2 GLN A 47 6.932 -11.788 101.331 1.00 0.00 N flip ATOM 0 H GLN A 47 7.608 -9.734 96.665 1.00 0.00 H new ATOM 0 HA GLN A 47 8.335 -11.026 98.486 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.058 -12.115 97.678 1.00 0.00 H new ATOM 0 HB3 GLN A 47 7.097 -13.438 97.186 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.591 -14.030 99.414 1.00 0.00 H new ATOM 0 HG3 GLN A 47 8.136 -13.224 99.604 1.00 0.00 H new ATOM 0 HE21 GLN A 47 7.785 -12.263 101.627 1.00 0.00 H new ATOM 0 HE22 GLN A 47 6.489 -11.104 101.945 1.00 0.00 H new ATOM 724 N LEU A 48 9.983 -11.847 96.045 1.00 0.00 N ATOM 725 CA LEU A 48 11.253 -12.382 95.475 1.00 0.00 C ATOM 726 C LEU A 48 11.137 -13.838 95.032 1.00 0.00 C ATOM 727 O LEU A 48 12.086 -14.417 94.545 1.00 0.00 O ATOM 728 CB LEU A 48 12.374 -12.222 96.488 1.00 0.00 C ATOM 729 CG LEU A 48 12.776 -10.730 96.636 1.00 0.00 C ATOM 730 CD1 LEU A 48 12.033 -9.829 95.636 1.00 0.00 C ATOM 731 CD2 LEU A 48 12.460 -10.250 98.056 1.00 0.00 C ATOM 0 H LEU A 48 9.578 -11.085 95.501 1.00 0.00 H new ATOM 0 HA LEU A 48 11.477 -11.803 94.579 1.00 0.00 H new ATOM 0 HB2 LEU A 48 12.056 -12.615 97.454 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.239 -12.807 96.175 1.00 0.00 H new ATOM 0 HG LEU A 48 13.844 -10.660 96.432 1.00 0.00 H new ATOM 0 HD11 LEU A 48 12.346 -8.794 95.776 1.00 0.00 H new ATOM 0 HD12 LEU A 48 12.267 -10.144 94.619 1.00 0.00 H new ATOM 0 HD13 LEU A 48 10.959 -9.909 95.803 1.00 0.00 H new ATOM 0 HD21 LEU A 48 12.743 -9.202 98.157 1.00 0.00 H new ATOM 0 HD22 LEU A 48 11.392 -10.357 98.247 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.019 -10.848 98.775 1.00 0.00 H new ATOM 743 N GLU A 49 9.993 -14.423 95.163 1.00 0.00 N ATOM 744 CA GLU A 49 9.816 -15.827 94.693 1.00 0.00 C ATOM 745 C GLU A 49 9.127 -15.788 93.330 1.00 0.00 C ATOM 746 O GLU A 49 9.370 -16.602 92.465 1.00 0.00 O ATOM 747 CB GLU A 49 8.953 -16.624 95.677 1.00 0.00 C ATOM 748 CG GLU A 49 8.014 -15.679 96.411 1.00 0.00 C ATOM 749 CD GLU A 49 7.034 -16.492 97.262 1.00 0.00 C ATOM 750 OE1 GLU A 49 6.504 -17.467 96.755 1.00 0.00 O ATOM 751 OE2 GLU A 49 6.833 -16.126 98.409 1.00 0.00 O ATOM 0 H GLU A 49 9.164 -13.995 95.576 1.00 0.00 H new ATOM 0 HA GLU A 49 10.789 -16.313 94.622 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.379 -17.381 95.143 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.588 -17.150 96.390 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.586 -15.000 97.044 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.468 -15.064 95.696 1.00 0.00 H new ATOM 758 N ILE A 50 8.245 -14.846 93.164 1.00 0.00 N ATOM 759 CA ILE A 50 7.482 -14.724 91.892 1.00 0.00 C ATOM 760 C ILE A 50 8.413 -14.453 90.719 1.00 0.00 C ATOM 761 O ILE A 50 8.228 -14.994 89.645 1.00 0.00 O ATOM 762 CB ILE A 50 6.481 -13.578 92.030 1.00 0.00 C ATOM 763 CG1 ILE A 50 5.638 -13.806 93.309 1.00 0.00 C ATOM 764 CG2 ILE A 50 5.591 -13.516 90.778 1.00 0.00 C ATOM 765 CD1 ILE A 50 4.138 -13.699 93.021 1.00 0.00 C ATOM 0 H ILE A 50 8.016 -14.143 93.867 1.00 0.00 H new ATOM 0 HA ILE A 50 6.962 -15.662 91.699 1.00 0.00 H new ATOM 0 HB ILE A 50 7.002 -12.625 92.118 1.00 0.00 H new ATOM 0 HG12 ILE A 50 5.861 -14.790 93.722 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.917 -13.072 94.065 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.878 -12.698 90.879 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.212 -13.350 89.898 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.051 -14.457 90.668 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.578 -13.865 93.941 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.912 -12.706 92.632 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.855 -14.450 92.284 1.00 0.00 H new ATOM 777 N LEU A 51 9.403 -13.625 90.886 1.00 0.00 N ATOM 778 CA LEU A 51 10.299 -13.360 89.733 1.00 0.00 C ATOM 779 C LEU A 51 10.964 -14.677 89.330 1.00 0.00 C ATOM 780 O LEU A 51 10.901 -15.095 88.195 1.00 0.00 O ATOM 781 CB LEU A 51 11.386 -12.285 90.022 1.00 0.00 C ATOM 782 CG LEU A 51 11.602 -11.983 91.513 1.00 0.00 C ATOM 783 CD1 LEU A 51 10.315 -11.488 92.187 1.00 0.00 C ATOM 784 CD2 LEU A 51 12.136 -13.223 92.225 1.00 0.00 C ATOM 0 H LEU A 51 9.627 -13.131 91.750 1.00 0.00 H new ATOM 0 HA LEU A 51 9.687 -12.957 88.926 1.00 0.00 H new ATOM 0 HB2 LEU A 51 12.331 -12.616 89.591 1.00 0.00 H new ATOM 0 HB3 LEU A 51 11.110 -11.361 89.513 1.00 0.00 H new ATOM 0 HG LEU A 51 12.337 -11.181 91.589 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.510 -11.286 93.240 1.00 0.00 H new ATOM 0 HD12 LEU A 51 9.977 -10.574 91.699 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.542 -12.252 92.102 1.00 0.00 H new ATOM 0 HD21 LEU A 51 12.286 -13.000 93.281 1.00 0.00 H new ATOM 0 HD22 LEU A 51 11.419 -14.037 92.125 1.00 0.00 H new ATOM 0 HD23 LEU A 51 13.085 -13.519 91.778 1.00 0.00 H new ATOM 796 N GLU A 52 11.597 -15.336 90.253 1.00 0.00 N ATOM 797 CA GLU A 52 12.264 -16.623 89.924 1.00 0.00 C ATOM 798 C GLU A 52 11.255 -17.584 89.288 1.00 0.00 C ATOM 799 O GLU A 52 11.600 -18.391 88.449 1.00 0.00 O ATOM 800 CB GLU A 52 12.820 -17.255 91.213 1.00 0.00 C ATOM 801 CG GLU A 52 14.305 -17.583 91.039 1.00 0.00 C ATOM 802 CD GLU A 52 14.479 -18.599 89.911 1.00 0.00 C ATOM 803 OE1 GLU A 52 14.227 -19.769 90.148 1.00 0.00 O ATOM 804 OE2 GLU A 52 14.863 -18.191 88.827 1.00 0.00 O ATOM 0 H GLU A 52 11.682 -15.039 91.225 1.00 0.00 H new ATOM 0 HA GLU A 52 13.077 -16.435 89.223 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.686 -16.570 92.050 1.00 0.00 H new ATOM 0 HB3 GLU A 52 12.265 -18.162 91.452 1.00 0.00 H new ATOM 0 HG2 GLU A 52 14.864 -16.675 90.813 1.00 0.00 H new ATOM 0 HG3 GLU A 52 14.710 -17.984 91.968 1.00 0.00 H new ATOM 811 N PHE A 53 10.021 -17.526 89.703 1.00 0.00 N ATOM 812 CA PHE A 53 9.003 -18.465 89.156 1.00 0.00 C ATOM 813 C PHE A 53 8.839 -18.299 87.648 1.00 0.00 C ATOM 814 O PHE A 53 9.382 -19.054 86.867 1.00 0.00 O ATOM 815 CB PHE A 53 7.646 -18.222 89.815 1.00 0.00 C ATOM 816 CG PHE A 53 6.583 -18.979 89.044 1.00 0.00 C ATOM 817 CD1 PHE A 53 6.708 -20.362 88.857 1.00 0.00 C ATOM 818 CD2 PHE A 53 5.485 -18.299 88.503 1.00 0.00 C ATOM 819 CE1 PHE A 53 5.739 -21.062 88.131 1.00 0.00 C ATOM 820 CE2 PHE A 53 4.513 -19.001 87.780 1.00 0.00 C ATOM 821 CZ PHE A 53 4.641 -20.383 87.594 1.00 0.00 C ATOM 0 H PHE A 53 9.673 -16.867 90.399 1.00 0.00 H new ATOM 0 HA PHE A 53 9.354 -19.475 89.369 1.00 0.00 H new ATOM 0 HB2 PHE A 53 7.666 -18.553 90.853 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.417 -17.156 89.825 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.554 -20.888 89.274 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.388 -17.233 88.643 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.839 -22.127 87.985 1.00 0.00 H new ATOM 0 HE2 PHE A 53 3.665 -18.477 87.366 1.00 0.00 H new ATOM 0 HZ PHE A 53 3.892 -20.924 87.036 1.00 0.00 H new ATOM 831 N LEU A 54 8.050 -17.348 87.233 1.00 0.00 N ATOM 832 CA LEU A 54 7.812 -17.182 85.773 1.00 0.00 C ATOM 833 C LEU A 54 9.134 -16.967 85.037 1.00 0.00 C ATOM 834 O LEU A 54 9.249 -17.257 83.864 1.00 0.00 O ATOM 835 CB LEU A 54 6.854 -16.010 85.493 1.00 0.00 C ATOM 836 CG LEU A 54 6.826 -15.010 86.647 1.00 0.00 C ATOM 837 CD1 LEU A 54 8.212 -14.407 86.855 1.00 0.00 C ATOM 838 CD2 LEU A 54 5.835 -13.893 86.307 1.00 0.00 C ATOM 0 H LEU A 54 7.564 -16.684 87.836 1.00 0.00 H new ATOM 0 HA LEU A 54 7.346 -18.097 85.406 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.160 -15.501 84.579 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.849 -16.395 85.322 1.00 0.00 H new ATOM 0 HG LEU A 54 6.522 -15.520 87.561 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.179 -13.696 87.680 1.00 0.00 H new ATOM 0 HD12 LEU A 54 8.923 -15.200 87.088 1.00 0.00 H new ATOM 0 HD13 LEU A 54 8.526 -13.894 85.946 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.806 -13.172 87.124 1.00 0.00 H new ATOM 0 HD22 LEU A 54 6.151 -13.392 85.392 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.842 -14.319 86.163 1.00 0.00 H new ATOM 850 N LEU A 55 10.133 -16.476 85.703 1.00 0.00 N ATOM 851 CA LEU A 55 11.438 -16.266 85.013 1.00 0.00 C ATOM 852 C LEU A 55 12.106 -17.627 84.777 1.00 0.00 C ATOM 853 O LEU A 55 12.662 -17.876 83.728 1.00 0.00 O ATOM 854 CB LEU A 55 12.342 -15.363 85.866 1.00 0.00 C ATOM 855 CG LEU A 55 13.405 -14.679 84.996 1.00 0.00 C ATOM 856 CD1 LEU A 55 14.206 -13.700 85.861 1.00 0.00 C ATOM 857 CD2 LEU A 55 14.362 -15.720 84.408 1.00 0.00 C ATOM 0 H LEU A 55 10.109 -16.211 86.688 1.00 0.00 H new ATOM 0 HA LEU A 55 11.273 -15.777 84.053 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.738 -14.609 86.371 1.00 0.00 H new ATOM 0 HB3 LEU A 55 12.827 -15.955 86.642 1.00 0.00 H new ATOM 0 HG LEU A 55 12.910 -14.149 84.182 1.00 0.00 H new ATOM 0 HD11 LEU A 55 14.964 -13.210 85.249 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.535 -12.949 86.278 1.00 0.00 H new ATOM 0 HD13 LEU A 55 14.690 -14.244 86.672 1.00 0.00 H new ATOM 0 HD21 LEU A 55 15.110 -15.220 83.793 1.00 0.00 H new ATOM 0 HD22 LEU A 55 14.857 -16.257 85.217 1.00 0.00 H new ATOM 0 HD23 LEU A 55 13.801 -16.425 83.795 1.00 0.00 H new ATOM 869 N LEU A 56 12.050 -18.518 85.738 1.00 0.00 N ATOM 870 CA LEU A 56 12.684 -19.856 85.533 1.00 0.00 C ATOM 871 C LEU A 56 11.939 -20.604 84.428 1.00 0.00 C ATOM 872 O LEU A 56 12.529 -21.338 83.660 1.00 0.00 O ATOM 873 CB LEU A 56 12.729 -20.665 86.848 1.00 0.00 C ATOM 874 CG LEU A 56 11.416 -21.426 87.098 1.00 0.00 C ATOM 875 CD1 LEU A 56 11.523 -22.845 86.522 1.00 0.00 C ATOM 876 CD2 LEU A 56 11.168 -21.529 88.610 1.00 0.00 C ATOM 0 H LEU A 56 11.599 -18.379 86.642 1.00 0.00 H new ATOM 0 HA LEU A 56 13.719 -19.717 85.222 1.00 0.00 H new ATOM 0 HB2 LEU A 56 13.557 -21.373 86.811 1.00 0.00 H new ATOM 0 HB3 LEU A 56 12.923 -19.991 87.683 1.00 0.00 H new ATOM 0 HG LEU A 56 10.596 -20.892 86.617 1.00 0.00 H new ATOM 0 HD11 LEU A 56 10.591 -23.381 86.701 1.00 0.00 H new ATOM 0 HD12 LEU A 56 11.710 -22.789 85.450 1.00 0.00 H new ATOM 0 HD13 LEU A 56 12.344 -23.373 87.006 1.00 0.00 H new ATOM 0 HD21 LEU A 56 10.238 -22.068 88.790 1.00 0.00 H new ATOM 0 HD22 LEU A 56 11.994 -22.064 89.079 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.096 -20.528 89.036 1.00 0.00 H new ATOM 888 N LYS A 57 10.656 -20.391 84.307 1.00 0.00 N ATOM 889 CA LYS A 57 9.905 -21.052 83.208 1.00 0.00 C ATOM 890 C LYS A 57 10.470 -20.475 81.911 1.00 0.00 C ATOM 891 O LYS A 57 11.504 -20.905 81.440 1.00 0.00 O ATOM 892 CB LYS A 57 8.407 -20.737 83.323 1.00 0.00 C ATOM 893 CG LYS A 57 7.630 -21.476 82.212 1.00 0.00 C ATOM 894 CD LYS A 57 6.606 -22.438 82.829 1.00 0.00 C ATOM 895 CE LYS A 57 7.328 -23.645 83.445 1.00 0.00 C ATOM 896 NZ LYS A 57 7.718 -23.328 84.849 1.00 0.00 N ATOM 0 H LYS A 57 10.101 -19.792 84.918 1.00 0.00 H new ATOM 0 HA LYS A 57 10.011 -22.136 83.244 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.036 -21.041 84.302 1.00 0.00 H new ATOM 0 HB3 LYS A 57 8.245 -19.662 83.240 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.122 -20.754 81.572 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.324 -22.029 81.580 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.024 -21.922 83.593 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.904 -22.774 82.066 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.678 -24.520 83.426 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.212 -23.892 82.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 7.708 -24.199 85.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.674 -22.918 84.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.044 -22.645 85.251 1.00 0.00 H new ATOM 910 N GLY A 58 9.849 -19.459 81.371 1.00 0.00 N ATOM 911 CA GLY A 58 10.413 -18.818 80.155 1.00 0.00 C ATOM 912 C GLY A 58 11.567 -17.939 80.636 1.00 0.00 C ATOM 913 O GLY A 58 12.377 -18.377 81.428 1.00 0.00 O ATOM 0 H GLY A 58 8.982 -19.050 81.719 1.00 0.00 H new ATOM 0 HA2 GLY A 58 10.764 -19.568 79.446 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.657 -18.223 79.642 1.00 0.00 H new ATOM 917 N ALA A 59 11.643 -16.701 80.218 1.00 0.00 N ATOM 918 CA ALA A 59 12.747 -15.831 80.725 1.00 0.00 C ATOM 919 C ALA A 59 12.767 -14.482 80.002 1.00 0.00 C ATOM 920 O ALA A 59 13.617 -14.209 79.179 1.00 0.00 O ATOM 921 CB ALA A 59 14.098 -16.539 80.561 1.00 0.00 C ATOM 0 H ALA A 59 11.001 -16.261 79.559 1.00 0.00 H new ATOM 0 HA ALA A 59 12.568 -15.644 81.784 1.00 0.00 H new ATOM 0 HB1 ALA A 59 14.894 -15.895 80.934 1.00 0.00 H new ATOM 0 HB2 ALA A 59 14.091 -17.471 81.126 1.00 0.00 H new ATOM 0 HB3 ALA A 59 14.270 -16.755 79.507 1.00 0.00 H new ATOM 927 N ASP A 60 11.850 -13.616 80.342 1.00 0.00 N ATOM 928 CA ASP A 60 11.833 -12.262 79.722 1.00 0.00 C ATOM 929 C ASP A 60 12.949 -11.453 80.378 1.00 0.00 C ATOM 930 O ASP A 60 13.101 -10.264 80.172 1.00 0.00 O ATOM 931 CB ASP A 60 10.473 -11.604 79.972 1.00 0.00 C ATOM 932 CG ASP A 60 10.451 -10.193 79.376 1.00 0.00 C ATOM 933 OD1 ASP A 60 10.949 -9.287 80.025 1.00 0.00 O ATOM 934 OD2 ASP A 60 9.930 -10.042 78.283 1.00 0.00 O ATOM 0 H ASP A 60 11.111 -13.789 81.024 1.00 0.00 H new ATOM 0 HA ASP A 60 11.988 -12.316 78.644 1.00 0.00 H new ATOM 0 HB2 ASP A 60 9.682 -12.207 79.527 1.00 0.00 H new ATOM 0 HB3 ASP A 60 10.274 -11.558 81.043 1.00 0.00 H new ATOM 939 N ILE A 61 13.726 -12.125 81.176 1.00 0.00 N ATOM 940 CA ILE A 61 14.864 -11.485 81.890 1.00 0.00 C ATOM 941 C ILE A 61 15.730 -10.706 80.900 1.00 0.00 C ATOM 942 O ILE A 61 16.505 -9.849 81.276 1.00 0.00 O ATOM 943 CB ILE A 61 15.701 -12.611 82.502 1.00 0.00 C ATOM 944 CG1 ILE A 61 16.816 -12.047 83.387 1.00 0.00 C ATOM 945 CG2 ILE A 61 16.330 -13.435 81.376 1.00 0.00 C ATOM 946 CD1 ILE A 61 17.813 -13.166 83.725 1.00 0.00 C ATOM 0 H ILE A 61 13.617 -13.121 81.369 1.00 0.00 H new ATOM 0 HA ILE A 61 14.499 -10.797 82.653 1.00 0.00 H new ATOM 0 HB ILE A 61 15.049 -13.233 83.115 1.00 0.00 H new ATOM 0 HG12 ILE A 61 17.327 -11.233 82.873 1.00 0.00 H new ATOM 0 HG13 ILE A 61 16.394 -11.632 84.302 1.00 0.00 H new ATOM 0 HG21 ILE A 61 16.928 -14.239 81.804 1.00 0.00 H new ATOM 0 HG22 ILE A 61 15.543 -13.860 80.753 1.00 0.00 H new ATOM 0 HG23 ILE A 61 16.967 -12.793 80.768 1.00 0.00 H new ATOM 0 HD11 ILE A 61 18.608 -12.767 84.355 1.00 0.00 H new ATOM 0 HD12 ILE A 61 17.296 -13.966 84.256 1.00 0.00 H new ATOM 0 HD13 ILE A 61 18.243 -13.560 82.804 1.00 0.00 H new ATOM 958 N ASN A 62 15.616 -11.021 79.644 1.00 0.00 N ATOM 959 CA ASN A 62 16.454 -10.339 78.614 1.00 0.00 C ATOM 960 C ASN A 62 15.596 -9.903 77.422 1.00 0.00 C ATOM 961 O ASN A 62 15.835 -8.886 76.807 1.00 0.00 O ATOM 962 CB ASN A 62 17.505 -11.330 78.123 1.00 0.00 C ATOM 963 CG ASN A 62 16.793 -12.583 77.600 1.00 0.00 C ATOM 964 OD1 ASN A 62 16.581 -13.588 78.408 1.00 0.00 O flip ATOM 965 ND2 ASN A 62 16.426 -12.648 76.445 1.00 0.00 N flip ATOM 0 H ASN A 62 14.975 -11.726 79.280 1.00 0.00 H new ATOM 0 HA ASN A 62 16.918 -9.457 79.054 1.00 0.00 H new ATOM 0 HB2 ASN A 62 18.108 -10.881 77.334 1.00 0.00 H new ATOM 0 HB3 ASN A 62 18.185 -11.592 78.934 1.00 0.00 H new ATOM 0 HD21 ASN A 62 16.590 -11.865 75.813 1.00 0.00 H new ATOM 0 HD22 ASN A 62 15.953 -13.486 76.107 1.00 0.00 H new ATOM 972 N ALA A 63 14.595 -10.684 77.113 1.00 0.00 N ATOM 973 CA ALA A 63 13.661 -10.392 75.967 1.00 0.00 C ATOM 974 C ALA A 63 13.619 -8.904 75.548 1.00 0.00 C ATOM 975 O ALA A 63 13.820 -8.607 74.387 1.00 0.00 O ATOM 976 CB ALA A 63 12.256 -10.843 76.354 1.00 0.00 C ATOM 0 H ALA A 63 14.373 -11.541 77.620 1.00 0.00 H new ATOM 0 HA ALA A 63 14.042 -10.940 75.105 1.00 0.00 H new ATOM 0 HB1 ALA A 63 11.569 -10.638 75.533 1.00 0.00 H new ATOM 0 HB2 ALA A 63 12.262 -11.913 76.563 1.00 0.00 H new ATOM 0 HB3 ALA A 63 11.932 -10.301 77.243 1.00 0.00 H new ATOM 982 N PRO A 64 13.354 -8.016 76.479 1.00 0.00 N ATOM 983 CA PRO A 64 13.260 -6.572 76.218 1.00 0.00 C ATOM 984 C PRO A 64 13.924 -6.110 74.912 1.00 0.00 C ATOM 985 O PRO A 64 15.018 -6.510 74.554 1.00 0.00 O ATOM 986 CB PRO A 64 13.912 -5.987 77.467 1.00 0.00 C ATOM 987 CG PRO A 64 13.659 -7.034 78.594 1.00 0.00 C ATOM 988 CD PRO A 64 13.152 -8.320 77.903 1.00 0.00 C ATOM 0 HA PRO A 64 12.234 -6.241 76.056 1.00 0.00 H new ATOM 0 HB2 PRO A 64 14.979 -5.824 77.314 1.00 0.00 H new ATOM 0 HB3 PRO A 64 13.476 -5.021 77.723 1.00 0.00 H new ATOM 0 HG2 PRO A 64 14.575 -7.230 79.152 1.00 0.00 H new ATOM 0 HG3 PRO A 64 12.924 -6.663 79.308 1.00 0.00 H new ATOM 0 HD2 PRO A 64 13.717 -9.198 78.215 1.00 0.00 H new ATOM 0 HD3 PRO A 64 12.105 -8.518 78.131 1.00 0.00 H new ATOM 996 N ASP A 65 13.219 -5.248 74.222 1.00 0.00 N ATOM 997 CA ASP A 65 13.686 -4.667 72.933 1.00 0.00 C ATOM 998 C ASP A 65 13.194 -3.218 72.888 1.00 0.00 C ATOM 999 O ASP A 65 13.929 -2.303 72.573 1.00 0.00 O ATOM 1000 CB ASP A 65 13.057 -5.443 71.774 1.00 0.00 C ATOM 1001 CG ASP A 65 13.823 -6.749 71.546 1.00 0.00 C ATOM 1002 OD1 ASP A 65 13.475 -7.732 72.178 1.00 0.00 O ATOM 1003 OD2 ASP A 65 14.740 -6.743 70.742 1.00 0.00 O ATOM 0 H ASP A 65 12.302 -4.913 74.516 1.00 0.00 H new ATOM 0 HA ASP A 65 14.772 -4.718 72.851 1.00 0.00 H new ATOM 0 HB2 ASP A 65 12.011 -5.658 71.994 1.00 0.00 H new ATOM 0 HB3 ASP A 65 13.074 -4.838 70.868 1.00 0.00 H new ATOM 1008 N LYS A 66 11.939 -3.017 73.216 1.00 0.00 N ATOM 1009 CA LYS A 66 11.352 -1.653 73.223 1.00 0.00 C ATOM 1010 C LYS A 66 11.538 -1.044 74.619 1.00 0.00 C ATOM 1011 O LYS A 66 11.644 0.154 74.787 1.00 0.00 O ATOM 1012 CB LYS A 66 9.860 -1.771 72.910 1.00 0.00 C ATOM 1013 CG LYS A 66 9.343 -0.451 72.349 1.00 0.00 C ATOM 1014 CD LYS A 66 9.311 0.626 73.448 1.00 0.00 C ATOM 1015 CE LYS A 66 8.124 1.562 73.216 1.00 0.00 C ATOM 1016 NZ LYS A 66 6.852 0.818 73.432 1.00 0.00 N ATOM 0 H LYS A 66 11.292 -3.759 73.483 1.00 0.00 H new ATOM 0 HA LYS A 66 11.838 -1.019 72.482 1.00 0.00 H new ATOM 0 HB2 LYS A 66 9.692 -2.573 72.191 1.00 0.00 H new ATOM 0 HB3 LYS A 66 9.309 -2.033 73.813 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.981 -0.123 71.529 1.00 0.00 H new ATOM 0 HG3 LYS A 66 8.343 -0.590 71.939 1.00 0.00 H new ATOM 0 HD2 LYS A 66 9.231 0.157 74.429 1.00 0.00 H new ATOM 0 HD3 LYS A 66 10.241 1.194 73.442 1.00 0.00 H new ATOM 0 HE2 LYS A 66 8.180 2.412 73.896 1.00 0.00 H new ATOM 0 HE3 LYS A 66 8.156 1.962 72.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.320 0.774 72.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.065 -0.147 73.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 6.282 1.307 74.151 1.00 0.00 H new ATOM 1030 N HIS A 67 11.587 -1.881 75.619 1.00 0.00 N ATOM 1031 CA HIS A 67 11.772 -1.395 77.010 1.00 0.00 C ATOM 1032 C HIS A 67 13.237 -1.037 77.218 1.00 0.00 C ATOM 1033 O HIS A 67 13.632 -0.575 78.269 1.00 0.00 O ATOM 1034 CB HIS A 67 11.376 -2.511 77.979 1.00 0.00 C ATOM 1035 CG HIS A 67 10.183 -3.253 77.440 1.00 0.00 C ATOM 1036 ND1 HIS A 67 10.280 -4.125 76.368 1.00 0.00 N ATOM 1037 CD2 HIS A 67 8.864 -3.269 77.820 1.00 0.00 C ATOM 1038 CE1 HIS A 67 9.052 -4.627 76.142 1.00 0.00 C ATOM 1039 NE2 HIS A 67 8.151 -4.137 76.999 1.00 0.00 N ATOM 0 H HIS A 67 11.505 -2.894 75.527 1.00 0.00 H new ATOM 0 HA HIS A 67 11.153 -0.516 77.188 1.00 0.00 H new ATOM 0 HB2 HIS A 67 12.211 -3.198 78.118 1.00 0.00 H new ATOM 0 HB3 HIS A 67 11.143 -2.090 78.957 1.00 0.00 H new ATOM 0 HD2 HIS A 67 8.444 -2.695 78.633 1.00 0.00 H new ATOM 0 HE1 HIS A 67 8.823 -5.339 75.363 1.00 0.00 H new ATOM 0 HE2 HIS A 67 7.155 -4.353 77.042 1.00 0.00 H new ATOM 1047 N HIS A 68 14.036 -1.241 76.210 1.00 0.00 N ATOM 1048 CA HIS A 68 15.485 -0.919 76.310 1.00 0.00 C ATOM 1049 C HIS A 68 16.020 -1.260 77.701 1.00 0.00 C ATOM 1050 O HIS A 68 17.001 -0.697 78.143 1.00 0.00 O ATOM 1051 CB HIS A 68 15.687 0.575 76.057 1.00 0.00 C ATOM 1052 CG HIS A 68 15.090 0.939 74.728 1.00 0.00 C ATOM 1053 ND1 HIS A 68 13.994 1.692 74.391 1.00 0.00 N flip ATOM 1054 CD2 HIS A 68 15.639 0.511 73.530 1.00 0.00 C flip ATOM 1055 CE1 HIS A 68 13.860 1.732 73.007 1.00 0.00 C flip ATOM 1056 NE2 HIS A 68 14.877 1.005 72.536 1.00 0.00 N flip ATOM 0 H HIS A 68 13.743 -1.622 75.310 1.00 0.00 H new ATOM 0 HA HIS A 68 16.024 -1.508 75.568 1.00 0.00 H new ATOM 0 HB2 HIS A 68 15.218 1.157 76.851 1.00 0.00 H new ATOM 0 HB3 HIS A 68 16.750 0.817 76.070 1.00 0.00 H new ATOM 0 HD2 HIS A 68 16.518 -0.106 73.415 1.00 0.00 H new ATOM 0 HE1 HIS A 68 13.098 2.241 72.436 1.00 0.00 H new ATOM 0 HE2 HIS A 68 15.055 0.844 71.545 1.00 0.00 H new ATOM 1064 N ILE A 69 15.406 -2.171 78.405 1.00 0.00 N ATOM 1065 CA ILE A 69 15.937 -2.491 79.754 1.00 0.00 C ATOM 1066 C ILE A 69 15.498 -3.872 80.219 1.00 0.00 C ATOM 1067 O ILE A 69 14.449 -4.377 79.864 1.00 0.00 O ATOM 1068 CB ILE A 69 15.454 -1.436 80.760 1.00 0.00 C ATOM 1069 CG1 ILE A 69 16.660 -0.827 81.480 1.00 0.00 C ATOM 1070 CG2 ILE A 69 14.505 -2.076 81.789 1.00 0.00 C ATOM 1071 CD1 ILE A 69 17.416 -1.900 82.267 1.00 0.00 C ATOM 0 H ILE A 69 14.581 -2.694 78.112 1.00 0.00 H new ATOM 0 HA ILE A 69 17.025 -2.485 79.695 1.00 0.00 H new ATOM 0 HB ILE A 69 14.916 -0.655 80.224 1.00 0.00 H new ATOM 0 HG12 ILE A 69 17.328 -0.363 80.754 1.00 0.00 H new ATOM 0 HG13 ILE A 69 16.327 -0.039 82.156 1.00 0.00 H new ATOM 0 HG21 ILE A 69 14.170 -1.317 82.496 1.00 0.00 H new ATOM 0 HG22 ILE A 69 13.642 -2.499 81.274 1.00 0.00 H new ATOM 0 HG23 ILE A 69 15.030 -2.866 82.326 1.00 0.00 H new ATOM 0 HD11 ILE A 69 18.270 -1.447 82.772 1.00 0.00 H new ATOM 0 HD12 ILE A 69 16.751 -2.345 83.007 1.00 0.00 H new ATOM 0 HD13 ILE A 69 17.767 -2.673 81.583 1.00 0.00 H new ATOM 1083 N THR A 70 16.311 -4.449 81.056 1.00 0.00 N ATOM 1084 CA THR A 70 16.009 -5.773 81.639 1.00 0.00 C ATOM 1085 C THR A 70 15.567 -5.528 83.102 1.00 0.00 C ATOM 1086 O THR A 70 15.938 -4.530 83.686 1.00 0.00 O ATOM 1087 CB THR A 70 17.264 -6.637 81.540 1.00 0.00 C ATOM 1088 OG1 THR A 70 17.218 -7.652 82.526 1.00 0.00 O ATOM 1089 CG2 THR A 70 18.499 -5.742 81.720 1.00 0.00 C ATOM 0 H THR A 70 17.194 -4.043 81.365 1.00 0.00 H new ATOM 0 HA THR A 70 15.211 -6.299 81.115 1.00 0.00 H new ATOM 0 HB THR A 70 17.320 -7.117 80.563 1.00 0.00 H new ATOM 0 HG1 THR A 70 17.256 -8.530 82.093 1.00 0.00 H new ATOM 0 HG21 THR A 70 19.402 -6.349 81.651 1.00 0.00 H new ATOM 0 HG22 THR A 70 18.513 -4.981 80.940 1.00 0.00 H new ATOM 0 HG23 THR A 70 18.460 -5.260 82.697 1.00 0.00 H new ATOM 1097 N PRO A 71 14.726 -6.379 83.636 1.00 0.00 N ATOM 1098 CA PRO A 71 14.160 -6.178 84.992 1.00 0.00 C ATOM 1099 C PRO A 71 15.194 -6.226 86.141 1.00 0.00 C ATOM 1100 O PRO A 71 14.875 -5.825 87.244 1.00 0.00 O ATOM 1101 CB PRO A 71 13.121 -7.305 85.134 1.00 0.00 C ATOM 1102 CG PRO A 71 12.980 -7.945 83.737 1.00 0.00 C ATOM 1103 CD PRO A 71 14.247 -7.594 82.966 1.00 0.00 C ATOM 0 HA PRO A 71 13.741 -5.175 85.080 1.00 0.00 H new ATOM 0 HB2 PRO A 71 13.446 -8.042 85.868 1.00 0.00 H new ATOM 0 HB3 PRO A 71 12.165 -6.911 85.479 1.00 0.00 H new ATOM 0 HG2 PRO A 71 12.862 -9.026 83.816 1.00 0.00 H new ATOM 0 HG3 PRO A 71 12.097 -7.565 83.224 1.00 0.00 H new ATOM 0 HD2 PRO A 71 14.983 -8.397 83.015 1.00 0.00 H new ATOM 0 HD3 PRO A 71 14.039 -7.416 81.911 1.00 0.00 H new ATOM 1111 N LEU A 72 16.403 -6.694 85.954 1.00 0.00 N ATOM 1112 CA LEU A 72 17.320 -6.708 87.132 1.00 0.00 C ATOM 1113 C LEU A 72 17.430 -5.287 87.657 1.00 0.00 C ATOM 1114 O LEU A 72 17.465 -5.065 88.850 1.00 0.00 O ATOM 1115 CB LEU A 72 18.738 -7.246 86.814 1.00 0.00 C ATOM 1116 CG LEU A 72 18.788 -8.110 85.544 1.00 0.00 C ATOM 1117 CD1 LEU A 72 17.506 -8.954 85.381 1.00 0.00 C ATOM 1118 CD2 LEU A 72 18.994 -7.205 84.327 1.00 0.00 C ATOM 0 H LEU A 72 16.782 -7.052 85.077 1.00 0.00 H new ATOM 0 HA LEU A 72 16.895 -7.388 87.870 1.00 0.00 H new ATOM 0 HB2 LEU A 72 19.422 -6.405 86.700 1.00 0.00 H new ATOM 0 HB3 LEU A 72 19.094 -7.834 87.660 1.00 0.00 H new ATOM 0 HG LEU A 72 19.623 -8.805 85.629 1.00 0.00 H new ATOM 0 HD11 LEU A 72 17.577 -9.552 84.472 1.00 0.00 H new ATOM 0 HD12 LEU A 72 17.393 -9.613 86.241 1.00 0.00 H new ATOM 0 HD13 LEU A 72 16.642 -8.293 85.314 1.00 0.00 H new ATOM 0 HD21 LEU A 72 19.030 -7.813 83.423 1.00 0.00 H new ATOM 0 HD22 LEU A 72 18.168 -6.498 84.256 1.00 0.00 H new ATOM 0 HD23 LEU A 72 19.931 -6.659 84.434 1.00 0.00 H new ATOM 1130 N LEU A 73 17.479 -4.315 86.785 1.00 0.00 N ATOM 1131 CA LEU A 73 17.578 -2.912 87.271 1.00 0.00 C ATOM 1132 C LEU A 73 16.236 -2.503 87.877 1.00 0.00 C ATOM 1133 O LEU A 73 16.153 -1.607 88.696 1.00 0.00 O ATOM 1134 CB LEU A 73 17.959 -1.970 86.122 1.00 0.00 C ATOM 1135 CG LEU A 73 19.313 -2.410 85.527 1.00 0.00 C ATOM 1136 CD1 LEU A 73 19.093 -3.431 84.401 1.00 0.00 C ATOM 1137 CD2 LEU A 73 20.054 -1.197 84.963 1.00 0.00 C ATOM 0 H LEU A 73 17.455 -4.431 85.772 1.00 0.00 H new ATOM 0 HA LEU A 73 18.357 -2.844 88.031 1.00 0.00 H new ATOM 0 HB2 LEU A 73 17.188 -1.987 85.352 1.00 0.00 H new ATOM 0 HB3 LEU A 73 18.025 -0.944 86.484 1.00 0.00 H new ATOM 0 HG LEU A 73 19.906 -2.867 86.319 1.00 0.00 H new ATOM 0 HD11 LEU A 73 20.056 -3.733 83.990 1.00 0.00 H new ATOM 0 HD12 LEU A 73 18.578 -4.306 84.798 1.00 0.00 H new ATOM 0 HD13 LEU A 73 18.488 -2.980 83.614 1.00 0.00 H new ATOM 0 HD21 LEU A 73 21.009 -1.516 84.545 1.00 0.00 H new ATOM 0 HD22 LEU A 73 19.452 -0.734 84.181 1.00 0.00 H new ATOM 0 HD23 LEU A 73 20.230 -0.475 85.760 1.00 0.00 H new ATOM 1149 N SER A 74 15.180 -3.155 87.487 1.00 0.00 N ATOM 1150 CA SER A 74 13.848 -2.807 88.055 1.00 0.00 C ATOM 1151 C SER A 74 13.868 -2.974 89.582 1.00 0.00 C ATOM 1152 O SER A 74 13.427 -2.113 90.324 1.00 0.00 O ATOM 1153 CB SER A 74 12.783 -3.721 87.446 1.00 0.00 C ATOM 1154 OG SER A 74 11.498 -3.337 87.920 1.00 0.00 O ATOM 0 H SER A 74 15.179 -3.911 86.802 1.00 0.00 H new ATOM 0 HA SER A 74 13.615 -1.769 87.818 1.00 0.00 H new ATOM 0 HB2 SER A 74 12.814 -3.658 86.358 1.00 0.00 H new ATOM 0 HB3 SER A 74 12.985 -4.759 87.712 1.00 0.00 H new ATOM 0 HG SER A 74 10.909 -3.156 87.158 1.00 0.00 H new ATOM 1160 N ALA A 75 14.373 -4.076 90.059 1.00 0.00 N ATOM 1161 CA ALA A 75 14.413 -4.297 91.539 1.00 0.00 C ATOM 1162 C ALA A 75 15.421 -3.342 92.173 1.00 0.00 C ATOM 1163 O ALA A 75 15.290 -2.950 93.314 1.00 0.00 O ATOM 1164 CB ALA A 75 14.824 -5.741 91.834 1.00 0.00 C ATOM 0 H ALA A 75 14.759 -4.833 89.495 1.00 0.00 H new ATOM 0 HA ALA A 75 13.424 -4.110 91.956 1.00 0.00 H new ATOM 0 HB1 ALA A 75 14.852 -5.898 92.912 1.00 0.00 H new ATOM 0 HB2 ALA A 75 14.102 -6.424 91.386 1.00 0.00 H new ATOM 0 HB3 ALA A 75 15.812 -5.931 91.414 1.00 0.00 H new ATOM 1170 N VAL A 76 16.427 -2.967 91.442 1.00 0.00 N ATOM 1171 CA VAL A 76 17.445 -2.046 92.001 1.00 0.00 C ATOM 1172 C VAL A 76 16.760 -0.825 92.630 1.00 0.00 C ATOM 1173 O VAL A 76 16.817 -0.622 93.828 1.00 0.00 O ATOM 1174 CB VAL A 76 18.387 -1.617 90.873 1.00 0.00 C ATOM 1175 CG1 VAL A 76 19.282 -0.473 91.342 1.00 0.00 C ATOM 1176 CG2 VAL A 76 19.242 -2.818 90.460 1.00 0.00 C ATOM 0 H VAL A 76 16.588 -3.260 90.478 1.00 0.00 H new ATOM 0 HA VAL A 76 18.018 -2.549 92.780 1.00 0.00 H new ATOM 0 HB VAL A 76 17.804 -1.270 90.020 1.00 0.00 H new ATOM 0 HG11 VAL A 76 19.948 -0.176 90.532 1.00 0.00 H new ATOM 0 HG12 VAL A 76 18.664 0.376 91.634 1.00 0.00 H new ATOM 0 HG13 VAL A 76 19.874 -0.801 92.196 1.00 0.00 H new ATOM 0 HG21 VAL A 76 19.918 -2.525 89.656 1.00 0.00 H new ATOM 0 HG22 VAL A 76 19.823 -3.162 91.315 1.00 0.00 H new ATOM 0 HG23 VAL A 76 18.595 -3.624 90.114 1.00 0.00 H new ATOM 1186 N TYR A 77 16.103 -0.019 91.841 1.00 0.00 N ATOM 1187 CA TYR A 77 15.411 1.175 92.408 1.00 0.00 C ATOM 1188 C TYR A 77 14.227 0.703 93.258 1.00 0.00 C ATOM 1189 O TYR A 77 13.148 1.259 93.197 1.00 0.00 O ATOM 1190 CB TYR A 77 14.898 2.066 91.267 1.00 0.00 C ATOM 1191 CG TYR A 77 15.779 1.911 90.047 1.00 0.00 C ATOM 1192 CD1 TYR A 77 16.919 2.710 89.896 1.00 0.00 C ATOM 1193 CD2 TYR A 77 15.445 0.977 89.058 1.00 0.00 C ATOM 1194 CE1 TYR A 77 17.724 2.572 88.756 1.00 0.00 C ATOM 1195 CE2 TYR A 77 16.250 0.841 87.918 1.00 0.00 C ATOM 1196 CZ TYR A 77 17.388 1.639 87.767 1.00 0.00 C ATOM 1197 OH TYR A 77 18.180 1.507 86.643 1.00 0.00 O ATOM 0 H TYR A 77 16.015 -0.134 90.831 1.00 0.00 H new ATOM 0 HA TYR A 77 16.107 1.746 93.023 1.00 0.00 H new ATOM 0 HB2 TYR A 77 13.871 1.797 91.020 1.00 0.00 H new ATOM 0 HB3 TYR A 77 14.887 3.108 91.586 1.00 0.00 H new ATOM 0 HD1 TYR A 77 17.178 3.432 90.657 1.00 0.00 H new ATOM 0 HD2 TYR A 77 14.566 0.360 89.174 1.00 0.00 H new ATOM 0 HE1 TYR A 77 18.605 3.186 88.640 1.00 0.00 H new ATOM 0 HE2 TYR A 77 15.991 0.120 87.157 1.00 0.00 H new ATOM 0 HH TYR A 77 17.618 1.541 85.841 1.00 0.00 H new ATOM 1207 N GLU A 78 14.421 -0.327 94.040 1.00 0.00 N ATOM 1208 CA GLU A 78 13.311 -0.850 94.887 1.00 0.00 C ATOM 1209 C GLU A 78 13.788 -1.032 96.325 1.00 0.00 C ATOM 1210 O GLU A 78 13.045 -0.832 97.264 1.00 0.00 O ATOM 1211 CB GLU A 78 12.870 -2.217 94.357 1.00 0.00 C ATOM 1212 CG GLU A 78 11.452 -2.515 94.842 1.00 0.00 C ATOM 1213 CD GLU A 78 10.451 -1.765 93.960 1.00 0.00 C ATOM 1214 OE1 GLU A 78 10.867 -1.238 92.941 1.00 0.00 O ATOM 1215 OE2 GLU A 78 9.287 -1.730 94.318 1.00 0.00 O ATOM 0 H GLU A 78 15.304 -0.829 94.128 1.00 0.00 H new ATOM 0 HA GLU A 78 12.485 -0.140 94.857 1.00 0.00 H new ATOM 0 HB2 GLU A 78 12.903 -2.225 93.268 1.00 0.00 H new ATOM 0 HB3 GLU A 78 13.555 -2.992 94.702 1.00 0.00 H new ATOM 0 HG2 GLU A 78 11.259 -3.587 94.802 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.339 -2.210 95.882 1.00 0.00 H new ATOM 1222 N GLY A 79 15.006 -1.454 96.502 1.00 0.00 N ATOM 1223 CA GLY A 79 15.507 -1.700 97.877 1.00 0.00 C ATOM 1224 C GLY A 79 15.292 -3.176 98.170 1.00 0.00 C ATOM 1225 O GLY A 79 15.658 -3.686 99.211 1.00 0.00 O ATOM 0 H GLY A 79 15.675 -1.639 95.754 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.563 -1.441 97.955 1.00 0.00 H new ATOM 0 HA3 GLY A 79 14.973 -1.082 98.599 1.00 0.00 H new ATOM 1229 N HIS A 80 14.718 -3.877 97.226 1.00 0.00 N ATOM 1230 CA HIS A 80 14.492 -5.331 97.403 1.00 0.00 C ATOM 1231 C HIS A 80 15.810 -6.032 97.111 1.00 0.00 C ATOM 1232 O HIS A 80 16.381 -6.689 97.958 1.00 0.00 O ATOM 1233 CB HIS A 80 13.420 -5.797 96.407 1.00 0.00 C ATOM 1234 CG HIS A 80 12.061 -5.740 97.049 1.00 0.00 C ATOM 1235 ND1 HIS A 80 11.235 -6.850 97.151 1.00 0.00 N ATOM 1236 CD2 HIS A 80 11.364 -4.702 97.610 1.00 0.00 C ATOM 1237 CE1 HIS A 80 10.098 -6.456 97.747 1.00 0.00 C ATOM 1238 NE2 HIS A 80 10.122 -5.153 98.049 1.00 0.00 N ATOM 0 H HIS A 80 14.396 -3.496 96.336 1.00 0.00 H new ATOM 0 HA HIS A 80 14.154 -5.559 98.414 1.00 0.00 H new ATOM 0 HB2 HIS A 80 13.438 -5.166 95.519 1.00 0.00 H new ATOM 0 HB3 HIS A 80 13.634 -6.814 96.079 1.00 0.00 H new ATOM 0 HD2 HIS A 80 11.724 -3.687 97.698 1.00 0.00 H new ATOM 0 HE1 HIS A 80 9.266 -7.111 97.957 1.00 0.00 H new ATOM 0 HE2 HIS A 80 9.389 -4.608 98.503 1.00 0.00 H new ATOM 1246 N VAL A 81 16.294 -5.866 95.911 1.00 0.00 N ATOM 1247 CA VAL A 81 17.583 -6.486 95.502 1.00 0.00 C ATOM 1248 C VAL A 81 17.787 -7.848 96.161 1.00 0.00 C ATOM 1249 O VAL A 81 18.869 -8.405 96.147 1.00 0.00 O ATOM 1250 CB VAL A 81 18.733 -5.522 95.802 1.00 0.00 C ATOM 1251 CG1 VAL A 81 18.897 -4.552 94.611 1.00 0.00 C ATOM 1252 CG2 VAL A 81 18.415 -4.713 97.070 1.00 0.00 C ATOM 0 H VAL A 81 15.840 -5.315 95.183 1.00 0.00 H new ATOM 0 HA VAL A 81 17.561 -6.670 94.428 1.00 0.00 H new ATOM 0 HB VAL A 81 19.652 -6.087 95.955 1.00 0.00 H new ATOM 0 HG11 VAL A 81 19.714 -3.860 94.815 1.00 0.00 H new ATOM 0 HG12 VAL A 81 19.119 -5.120 93.707 1.00 0.00 H new ATOM 0 HG13 VAL A 81 17.974 -3.991 94.469 1.00 0.00 H new ATOM 0 HG21 VAL A 81 19.236 -4.028 97.280 1.00 0.00 H new ATOM 0 HG22 VAL A 81 17.498 -4.144 96.918 1.00 0.00 H new ATOM 0 HG23 VAL A 81 18.285 -5.393 97.912 1.00 0.00 H new ATOM 1262 N SER A 82 16.746 -8.429 96.666 1.00 0.00 N ATOM 1263 CA SER A 82 16.879 -9.789 97.224 1.00 0.00 C ATOM 1264 C SER A 82 16.835 -10.716 96.013 1.00 0.00 C ATOM 1265 O SER A 82 17.302 -11.836 96.037 1.00 0.00 O ATOM 1266 CB SER A 82 15.725 -10.082 98.189 1.00 0.00 C ATOM 1267 OG SER A 82 16.177 -9.925 99.527 1.00 0.00 O ATOM 0 H SER A 82 15.812 -8.022 96.716 1.00 0.00 H new ATOM 0 HA SER A 82 17.798 -9.918 97.795 1.00 0.00 H new ATOM 0 HB2 SER A 82 14.892 -9.406 97.993 1.00 0.00 H new ATOM 0 HB3 SER A 82 15.356 -11.096 98.035 1.00 0.00 H new ATOM 0 HG SER A 82 15.440 -10.110 100.145 1.00 0.00 H new ATOM 1273 N CYS A 83 16.274 -10.206 94.943 1.00 0.00 N ATOM 1274 CA CYS A 83 16.172 -10.977 93.676 1.00 0.00 C ATOM 1275 C CYS A 83 17.462 -10.799 92.878 1.00 0.00 C ATOM 1276 O CYS A 83 18.071 -11.764 92.464 1.00 0.00 O ATOM 1277 CB CYS A 83 14.990 -10.453 92.862 1.00 0.00 C ATOM 1278 SG CYS A 83 15.281 -8.721 92.415 1.00 0.00 S ATOM 0 H CYS A 83 15.876 -9.268 94.900 1.00 0.00 H new ATOM 0 HA CYS A 83 16.021 -12.034 93.895 1.00 0.00 H new ATOM 0 HB2 CYS A 83 14.860 -11.054 91.962 1.00 0.00 H new ATOM 0 HB3 CYS A 83 14.070 -10.540 93.440 1.00 0.00 H new ATOM 0 HG CYS A 83 14.883 -8.515 91.195 1.00 0.00 H new ATOM 1284 N VAL A 84 17.895 -9.574 92.659 1.00 0.00 N ATOM 1285 CA VAL A 84 19.161 -9.371 91.888 1.00 0.00 C ATOM 1286 C VAL A 84 20.143 -10.460 92.302 1.00 0.00 C ATOM 1287 O VAL A 84 20.736 -11.126 91.479 1.00 0.00 O ATOM 1288 CB VAL A 84 19.782 -8.004 92.183 1.00 0.00 C ATOM 1289 CG1 VAL A 84 18.846 -6.891 91.716 1.00 0.00 C ATOM 1290 CG2 VAL A 84 20.035 -7.865 93.675 1.00 0.00 C ATOM 0 H VAL A 84 17.432 -8.722 92.977 1.00 0.00 H new ATOM 0 HA VAL A 84 18.939 -9.418 90.822 1.00 0.00 H new ATOM 0 HB VAL A 84 20.728 -7.923 91.647 1.00 0.00 H new ATOM 0 HG11 VAL A 84 19.297 -5.922 91.931 1.00 0.00 H new ATOM 0 HG12 VAL A 84 18.678 -6.983 90.643 1.00 0.00 H new ATOM 0 HG13 VAL A 84 17.894 -6.972 92.241 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.477 -6.890 93.880 1.00 0.00 H new ATOM 0 HG22 VAL A 84 19.092 -7.956 94.214 1.00 0.00 H new ATOM 0 HG23 VAL A 84 20.718 -8.649 94.003 1.00 0.00 H new ATOM 1300 N LYS A 85 20.297 -10.659 93.581 1.00 0.00 N ATOM 1301 CA LYS A 85 21.217 -11.717 94.071 1.00 0.00 C ATOM 1302 C LYS A 85 20.905 -13.045 93.355 1.00 0.00 C ATOM 1303 O LYS A 85 21.709 -13.588 92.615 1.00 0.00 O ATOM 1304 CB LYS A 85 20.991 -11.878 95.588 1.00 0.00 C ATOM 1305 CG LYS A 85 22.263 -11.523 96.367 1.00 0.00 C ATOM 1306 CD LYS A 85 22.408 -10.001 96.441 1.00 0.00 C ATOM 1307 CE LYS A 85 23.820 -9.643 96.914 1.00 0.00 C ATOM 1308 NZ LYS A 85 24.123 -10.369 98.180 1.00 0.00 N ATOM 0 H LYS A 85 19.821 -10.129 94.311 1.00 0.00 H new ATOM 0 HA LYS A 85 22.253 -11.445 93.869 1.00 0.00 H new ATOM 0 HB2 LYS A 85 20.171 -11.235 95.909 1.00 0.00 H new ATOM 0 HB3 LYS A 85 20.697 -12.904 95.810 1.00 0.00 H new ATOM 0 HG2 LYS A 85 22.216 -11.944 97.371 1.00 0.00 H new ATOM 0 HG3 LYS A 85 23.135 -11.959 95.879 1.00 0.00 H new ATOM 0 HD2 LYS A 85 22.218 -9.559 95.463 1.00 0.00 H new ATOM 0 HD3 LYS A 85 21.668 -9.588 97.126 1.00 0.00 H new ATOM 0 HE2 LYS A 85 24.549 -9.908 96.148 1.00 0.00 H new ATOM 0 HE3 LYS A 85 23.900 -8.567 97.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 24.937 -9.923 98.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 23.296 -10.329 98.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 24.348 -11.362 97.966 1.00 0.00 H new ATOM 1322 N LEU A 86 19.735 -13.558 93.602 1.00 0.00 N ATOM 1323 CA LEU A 86 19.281 -14.837 93.014 1.00 0.00 C ATOM 1324 C LEU A 86 19.135 -14.712 91.490 1.00 0.00 C ATOM 1325 O LEU A 86 18.892 -15.686 90.800 1.00 0.00 O ATOM 1326 CB LEU A 86 17.940 -15.155 93.718 1.00 0.00 C ATOM 1327 CG LEU A 86 16.838 -15.607 92.755 1.00 0.00 C ATOM 1328 CD1 LEU A 86 15.580 -15.892 93.581 1.00 0.00 C ATOM 1329 CD2 LEU A 86 16.505 -14.510 91.723 1.00 0.00 C ATOM 0 H LEU A 86 19.048 -13.119 94.215 1.00 0.00 H new ATOM 0 HA LEU A 86 19.996 -15.646 93.167 1.00 0.00 H new ATOM 0 HB2 LEU A 86 18.105 -15.935 94.461 1.00 0.00 H new ATOM 0 HB3 LEU A 86 17.601 -14.269 94.255 1.00 0.00 H new ATOM 0 HG LEU A 86 17.180 -16.491 92.217 1.00 0.00 H new ATOM 0 HD11 LEU A 86 14.776 -16.217 92.920 1.00 0.00 H new ATOM 0 HD12 LEU A 86 15.792 -16.677 94.307 1.00 0.00 H new ATOM 0 HD13 LEU A 86 15.275 -14.986 94.104 1.00 0.00 H new ATOM 0 HD21 LEU A 86 15.719 -14.865 91.056 1.00 0.00 H new ATOM 0 HD22 LEU A 86 16.164 -13.614 92.242 1.00 0.00 H new ATOM 0 HD23 LEU A 86 17.396 -14.275 91.141 1.00 0.00 H new ATOM 1341 N LEU A 87 19.250 -13.520 90.962 1.00 0.00 N ATOM 1342 CA LEU A 87 19.080 -13.328 89.490 1.00 0.00 C ATOM 1343 C LEU A 87 20.360 -13.676 88.721 1.00 0.00 C ATOM 1344 O LEU A 87 20.431 -14.710 88.091 1.00 0.00 O ATOM 1345 CB LEU A 87 18.699 -11.869 89.220 1.00 0.00 C ATOM 1346 CG LEU A 87 17.340 -11.800 88.529 1.00 0.00 C ATOM 1347 CD1 LEU A 87 16.813 -10.364 88.582 1.00 0.00 C ATOM 1348 CD2 LEU A 87 17.484 -12.241 87.075 1.00 0.00 C ATOM 0 H LEU A 87 19.455 -12.670 91.488 1.00 0.00 H new ATOM 0 HA LEU A 87 18.293 -13.999 89.145 1.00 0.00 H new ATOM 0 HB2 LEU A 87 18.667 -11.314 90.158 1.00 0.00 H new ATOM 0 HB3 LEU A 87 19.457 -11.397 88.596 1.00 0.00 H new ATOM 0 HG LEU A 87 16.639 -12.461 89.038 1.00 0.00 H new ATOM 0 HD11 LEU A 87 15.842 -10.314 88.089 1.00 0.00 H new ATOM 0 HD12 LEU A 87 16.708 -10.053 89.621 1.00 0.00 H new ATOM 0 HD13 LEU A 87 17.513 -9.701 88.074 1.00 0.00 H new ATOM 0 HD21 LEU A 87 16.513 -12.192 86.582 1.00 0.00 H new ATOM 0 HD22 LEU A 87 18.185 -11.582 86.563 1.00 0.00 H new ATOM 0 HD23 LEU A 87 17.857 -13.265 87.040 1.00 0.00 H new ATOM 1360 N LEU A 88 21.363 -12.821 88.733 1.00 0.00 N ATOM 1361 CA LEU A 88 22.588 -13.158 87.950 1.00 0.00 C ATOM 1362 C LEU A 88 23.026 -14.564 88.316 1.00 0.00 C ATOM 1363 O LEU A 88 23.821 -15.186 87.635 1.00 0.00 O ATOM 1364 CB LEU A 88 23.728 -12.138 88.154 1.00 0.00 C ATOM 1365 CG LEU A 88 24.366 -12.236 89.547 1.00 0.00 C ATOM 1366 CD1 LEU A 88 23.278 -12.261 90.613 1.00 0.00 C ATOM 1367 CD2 LEU A 88 25.239 -13.499 89.649 1.00 0.00 C ATOM 0 H LEU A 88 21.383 -11.934 89.236 1.00 0.00 H new ATOM 0 HA LEU A 88 22.344 -13.111 86.889 1.00 0.00 H new ATOM 0 HB2 LEU A 88 24.494 -12.299 87.395 1.00 0.00 H new ATOM 0 HB3 LEU A 88 23.340 -11.130 88.006 1.00 0.00 H new ATOM 0 HG LEU A 88 25.000 -11.364 89.706 1.00 0.00 H new ATOM 0 HD11 LEU A 88 23.737 -12.331 91.599 1.00 0.00 H new ATOM 0 HD12 LEU A 88 22.687 -11.347 90.551 1.00 0.00 H new ATOM 0 HD13 LEU A 88 22.631 -13.123 90.452 1.00 0.00 H new ATOM 0 HD21 LEU A 88 25.684 -13.554 90.642 1.00 0.00 H new ATOM 0 HD22 LEU A 88 24.623 -14.382 89.478 1.00 0.00 H new ATOM 0 HD23 LEU A 88 26.029 -13.457 88.899 1.00 0.00 H new ATOM 1379 N SER A 89 22.466 -15.093 89.363 1.00 0.00 N ATOM 1380 CA SER A 89 22.786 -16.481 89.747 1.00 0.00 C ATOM 1381 C SER A 89 22.442 -17.349 88.539 1.00 0.00 C ATOM 1382 O SER A 89 22.848 -18.488 88.432 1.00 0.00 O ATOM 1383 CB SER A 89 21.911 -16.894 90.934 1.00 0.00 C ATOM 1384 OG SER A 89 22.505 -18.000 91.602 1.00 0.00 O ATOM 0 H SER A 89 21.798 -14.617 89.969 1.00 0.00 H new ATOM 0 HA SER A 89 23.833 -16.587 90.032 1.00 0.00 H new ATOM 0 HB2 SER A 89 21.798 -16.058 91.624 1.00 0.00 H new ATOM 0 HB3 SER A 89 20.912 -17.159 90.588 1.00 0.00 H new ATOM 0 HG SER A 89 21.945 -18.262 92.362 1.00 0.00 H new ATOM 1390 N LYS A 90 21.676 -16.789 87.630 1.00 0.00 N ATOM 1391 CA LYS A 90 21.256 -17.515 86.415 1.00 0.00 C ATOM 1392 C LYS A 90 21.948 -16.892 85.200 1.00 0.00 C ATOM 1393 O LYS A 90 22.099 -17.517 84.171 1.00 0.00 O ATOM 1394 CB LYS A 90 19.740 -17.358 86.280 1.00 0.00 C ATOM 1395 CG LYS A 90 19.199 -18.411 85.331 1.00 0.00 C ATOM 1396 CD LYS A 90 17.730 -18.105 85.012 1.00 0.00 C ATOM 1397 CE LYS A 90 17.623 -16.784 84.244 1.00 0.00 C ATOM 1398 NZ LYS A 90 18.898 -16.509 83.522 1.00 0.00 N ATOM 0 H LYS A 90 21.322 -15.834 87.693 1.00 0.00 H new ATOM 0 HA LYS A 90 21.524 -18.570 86.477 1.00 0.00 H new ATOM 0 HB2 LYS A 90 19.266 -17.457 87.257 1.00 0.00 H new ATOM 0 HB3 LYS A 90 19.500 -16.362 85.908 1.00 0.00 H new ATOM 0 HG2 LYS A 90 19.786 -18.425 84.413 1.00 0.00 H new ATOM 0 HG3 LYS A 90 19.286 -19.400 85.780 1.00 0.00 H new ATOM 0 HD2 LYS A 90 17.302 -18.914 84.421 1.00 0.00 H new ATOM 0 HD3 LYS A 90 17.154 -18.046 85.935 1.00 0.00 H new ATOM 0 HE2 LYS A 90 16.797 -16.832 83.535 1.00 0.00 H new ATOM 0 HE3 LYS A 90 17.403 -15.969 84.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 18.727 -15.814 82.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 19.600 -16.130 84.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 19.258 -17.391 83.104 1.00 0.00 H new ATOM 1412 N GLY A 91 22.368 -15.658 85.319 1.00 0.00 N ATOM 1413 CA GLY A 91 23.051 -14.983 84.178 1.00 0.00 C ATOM 1414 C GLY A 91 22.587 -13.525 84.081 1.00 0.00 C ATOM 1415 O GLY A 91 23.128 -12.647 84.722 1.00 0.00 O ATOM 0 H GLY A 91 22.266 -15.089 86.160 1.00 0.00 H new ATOM 0 HA2 GLY A 91 24.132 -15.021 84.315 1.00 0.00 H new ATOM 0 HA3 GLY A 91 22.829 -15.507 83.248 1.00 0.00 H new ATOM 1419 N ALA A 92 21.590 -13.265 83.281 1.00 0.00 N ATOM 1420 CA ALA A 92 21.081 -11.866 83.135 1.00 0.00 C ATOM 1421 C ALA A 92 22.235 -10.898 82.937 1.00 0.00 C ATOM 1422 O ALA A 92 22.056 -9.699 83.011 1.00 0.00 O ATOM 1423 CB ALA A 92 20.315 -11.471 84.402 1.00 0.00 C ATOM 0 H ALA A 92 21.102 -13.962 82.719 1.00 0.00 H new ATOM 0 HA ALA A 92 20.424 -11.822 82.266 1.00 0.00 H new ATOM 0 HB1 ALA A 92 19.943 -10.452 84.299 1.00 0.00 H new ATOM 0 HB2 ALA A 92 19.476 -12.151 84.547 1.00 0.00 H new ATOM 0 HB3 ALA A 92 20.981 -11.529 85.263 1.00 0.00 H new ATOM 1429 N ASP A 93 23.410 -11.389 82.676 1.00 0.00 N ATOM 1430 CA ASP A 93 24.555 -10.471 82.473 1.00 0.00 C ATOM 1431 C ASP A 93 24.457 -9.302 83.475 1.00 0.00 C ATOM 1432 O ASP A 93 24.441 -9.510 84.674 1.00 0.00 O ATOM 1433 CB ASP A 93 24.497 -9.963 81.035 1.00 0.00 C ATOM 1434 CG ASP A 93 25.056 -11.036 80.093 1.00 0.00 C ATOM 1435 OD1 ASP A 93 26.267 -11.178 80.039 1.00 0.00 O ATOM 1436 OD2 ASP A 93 24.263 -11.701 79.445 1.00 0.00 O ATOM 0 H ASP A 93 23.625 -12.383 82.595 1.00 0.00 H new ATOM 0 HA ASP A 93 25.503 -10.982 82.642 1.00 0.00 H new ATOM 0 HB2 ASP A 93 23.469 -9.725 80.763 1.00 0.00 H new ATOM 0 HB3 ASP A 93 25.074 -9.043 80.939 1.00 0.00 H new ATOM 1441 N LYS A 94 24.389 -8.080 83.013 1.00 0.00 N ATOM 1442 CA LYS A 94 24.284 -6.938 83.964 1.00 0.00 C ATOM 1443 C LYS A 94 23.863 -5.679 83.200 1.00 0.00 C ATOM 1444 O LYS A 94 22.791 -5.137 83.401 1.00 0.00 O ATOM 1445 CB LYS A 94 25.646 -6.717 84.623 1.00 0.00 C ATOM 1446 CG LYS A 94 25.465 -6.028 85.970 1.00 0.00 C ATOM 1447 CD LYS A 94 25.002 -4.575 85.756 1.00 0.00 C ATOM 1448 CE LYS A 94 23.488 -4.455 85.995 1.00 0.00 C ATOM 1449 NZ LYS A 94 23.241 -3.983 87.384 1.00 0.00 N ATOM 0 H LYS A 94 24.402 -7.827 82.025 1.00 0.00 H new ATOM 0 HA LYS A 94 23.540 -7.155 84.730 1.00 0.00 H new ATOM 0 HB2 LYS A 94 26.153 -7.672 84.759 1.00 0.00 H new ATOM 0 HB3 LYS A 94 26.278 -6.109 83.976 1.00 0.00 H new ATOM 0 HG2 LYS A 94 24.732 -6.568 86.569 1.00 0.00 H new ATOM 0 HG3 LYS A 94 26.403 -6.042 86.525 1.00 0.00 H new ATOM 0 HD2 LYS A 94 25.538 -3.912 86.435 1.00 0.00 H new ATOM 0 HD3 LYS A 94 25.243 -4.255 84.742 1.00 0.00 H new ATOM 0 HE2 LYS A 94 23.050 -3.759 85.280 1.00 0.00 H new ATOM 0 HE3 LYS A 94 23.006 -5.420 85.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 22.272 -3.613 87.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 23.360 -4.776 88.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 23.918 -3.230 87.620 1.00 0.00 H new ATOM 1463 N THR A 95 24.702 -5.233 82.311 1.00 0.00 N ATOM 1464 CA THR A 95 24.392 -4.026 81.493 1.00 0.00 C ATOM 1465 C THR A 95 24.279 -4.504 80.062 1.00 0.00 C ATOM 1466 O THR A 95 24.851 -3.949 79.149 1.00 0.00 O ATOM 1467 CB THR A 95 25.544 -3.014 81.588 1.00 0.00 C ATOM 1468 OG1 THR A 95 26.770 -3.723 81.714 1.00 0.00 O ATOM 1469 CG2 THR A 95 25.365 -2.092 82.800 1.00 0.00 C ATOM 0 H THR A 95 25.606 -5.660 82.112 1.00 0.00 H new ATOM 0 HA THR A 95 23.478 -3.543 81.840 1.00 0.00 H new ATOM 0 HB THR A 95 25.549 -2.401 80.687 1.00 0.00 H new ATOM 0 HG1 THR A 95 27.512 -3.086 81.774 1.00 0.00 H new ATOM 0 HG21 THR A 95 26.193 -1.385 82.845 1.00 0.00 H new ATOM 0 HG22 THR A 95 24.426 -1.546 82.706 1.00 0.00 H new ATOM 0 HG23 THR A 95 25.348 -2.689 83.712 1.00 0.00 H new ATOM 1477 N VAL A 96 23.562 -5.566 79.873 1.00 0.00 N ATOM 1478 CA VAL A 96 23.430 -6.134 78.519 1.00 0.00 C ATOM 1479 C VAL A 96 22.512 -5.245 77.667 1.00 0.00 C ATOM 1480 O VAL A 96 22.379 -5.450 76.476 1.00 0.00 O ATOM 1481 CB VAL A 96 22.883 -7.576 78.654 1.00 0.00 C ATOM 1482 CG1 VAL A 96 21.558 -7.746 77.906 1.00 0.00 C ATOM 1483 CG2 VAL A 96 23.908 -8.572 78.103 1.00 0.00 C ATOM 0 H VAL A 96 23.059 -6.067 80.605 1.00 0.00 H new ATOM 0 HA VAL A 96 24.395 -6.171 78.014 1.00 0.00 H new ATOM 0 HB VAL A 96 22.705 -7.768 79.712 1.00 0.00 H new ATOM 0 HG11 VAL A 96 21.203 -8.770 78.022 1.00 0.00 H new ATOM 0 HG12 VAL A 96 20.819 -7.057 78.315 1.00 0.00 H new ATOM 0 HG13 VAL A 96 21.708 -7.532 76.848 1.00 0.00 H new ATOM 0 HG21 VAL A 96 23.519 -9.586 78.200 1.00 0.00 H new ATOM 0 HG22 VAL A 96 24.097 -8.355 77.052 1.00 0.00 H new ATOM 0 HG23 VAL A 96 24.838 -8.485 78.665 1.00 0.00 H new ATOM 1493 N LYS A 97 21.889 -4.240 78.242 1.00 0.00 N ATOM 1494 CA LYS A 97 21.023 -3.366 77.412 1.00 0.00 C ATOM 1495 C LYS A 97 20.699 -2.029 78.095 1.00 0.00 C ATOM 1496 O LYS A 97 20.190 -1.129 77.458 1.00 0.00 O ATOM 1497 CB LYS A 97 19.741 -4.100 77.092 1.00 0.00 C ATOM 1498 CG LYS A 97 19.027 -4.533 78.365 1.00 0.00 C ATOM 1499 CD LYS A 97 17.665 -5.128 77.986 1.00 0.00 C ATOM 1500 CE LYS A 97 17.872 -6.326 77.050 1.00 0.00 C ATOM 1501 NZ LYS A 97 17.894 -5.855 75.635 1.00 0.00 N ATOM 0 H LYS A 97 21.946 -3.997 79.231 1.00 0.00 H new ATOM 0 HA LYS A 97 21.571 -3.131 76.499 1.00 0.00 H new ATOM 0 HB2 LYS A 97 19.086 -3.456 76.505 1.00 0.00 H new ATOM 0 HB3 LYS A 97 19.962 -4.974 76.479 1.00 0.00 H new ATOM 0 HG2 LYS A 97 19.625 -5.269 78.902 1.00 0.00 H new ATOM 0 HG3 LYS A 97 18.895 -3.682 79.033 1.00 0.00 H new ATOM 0 HD2 LYS A 97 17.131 -5.442 78.883 1.00 0.00 H new ATOM 0 HD3 LYS A 97 17.050 -4.373 77.497 1.00 0.00 H new ATOM 0 HE2 LYS A 97 18.807 -6.831 77.291 1.00 0.00 H new ATOM 0 HE3 LYS A 97 17.072 -7.053 77.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 17.136 -6.326 75.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 17.747 -4.826 75.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 18.814 -6.084 75.207 1.00 0.00 H new ATOM 1515 N GLY A 98 20.976 -1.865 79.356 1.00 0.00 N ATOM 1516 CA GLY A 98 20.666 -0.551 80.002 1.00 0.00 C ATOM 1517 C GLY A 98 21.475 0.527 79.281 1.00 0.00 C ATOM 1518 O GLY A 98 22.339 0.208 78.490 1.00 0.00 O ATOM 0 H GLY A 98 21.397 -2.568 79.964 1.00 0.00 H new ATOM 0 HA2 GLY A 98 19.599 -0.336 79.937 1.00 0.00 H new ATOM 0 HA3 GLY A 98 20.922 -0.576 81.061 1.00 0.00 H new ATOM 1522 N PRO A 99 21.203 1.772 79.578 1.00 0.00 N ATOM 1523 CA PRO A 99 21.945 2.877 78.961 1.00 0.00 C ATOM 1524 C PRO A 99 23.434 2.545 78.964 1.00 0.00 C ATOM 1525 O PRO A 99 23.995 2.156 77.960 1.00 0.00 O ATOM 1526 CB PRO A 99 21.626 4.096 79.842 1.00 0.00 C ATOM 1527 CG PRO A 99 20.483 3.677 80.809 1.00 0.00 C ATOM 1528 CD PRO A 99 20.164 2.189 80.538 1.00 0.00 C ATOM 0 HA PRO A 99 21.671 3.063 77.922 1.00 0.00 H new ATOM 0 HB2 PRO A 99 22.508 4.408 80.401 1.00 0.00 H new ATOM 0 HB3 PRO A 99 21.320 4.944 79.229 1.00 0.00 H new ATOM 0 HG2 PRO A 99 20.787 3.821 81.846 1.00 0.00 H new ATOM 0 HG3 PRO A 99 19.599 4.294 80.647 1.00 0.00 H new ATOM 0 HD2 PRO A 99 20.206 1.598 81.453 1.00 0.00 H new ATOM 0 HD3 PRO A 99 19.164 2.064 80.123 1.00 0.00 H new ATOM 1536 N ASP A 100 24.073 2.682 80.084 1.00 0.00 N ATOM 1537 CA ASP A 100 25.522 2.361 80.146 1.00 0.00 C ATOM 1538 C ASP A 100 25.914 2.051 81.589 1.00 0.00 C ATOM 1539 O ASP A 100 25.343 1.188 82.236 1.00 0.00 O ATOM 1540 CB ASP A 100 26.325 3.560 79.632 1.00 0.00 C ATOM 1541 CG ASP A 100 27.770 3.132 79.363 1.00 0.00 C ATOM 1542 OD1 ASP A 100 28.108 2.012 79.706 1.00 0.00 O ATOM 1543 OD2 ASP A 100 28.512 3.933 78.818 1.00 0.00 O ATOM 0 H ASP A 100 23.658 3.002 80.959 1.00 0.00 H new ATOM 0 HA ASP A 100 25.735 1.491 79.525 1.00 0.00 H new ATOM 0 HB2 ASP A 100 25.874 3.948 78.719 1.00 0.00 H new ATOM 0 HB3 ASP A 100 26.304 4.366 80.365 1.00 0.00 H new ATOM 1548 N GLY A 101 26.882 2.747 82.099 1.00 0.00 N ATOM 1549 CA GLY A 101 27.319 2.496 83.496 1.00 0.00 C ATOM 1550 C GLY A 101 26.131 2.646 84.449 1.00 0.00 C ATOM 1551 O GLY A 101 26.277 2.533 85.657 1.00 0.00 O ATOM 0 H GLY A 101 27.392 3.482 81.609 1.00 0.00 H new ATOM 0 HA2 GLY A 101 27.739 1.494 83.580 1.00 0.00 H new ATOM 0 HA3 GLY A 101 28.107 3.197 83.771 1.00 0.00 H new ATOM 1555 N LEU A 102 24.945 2.873 83.933 1.00 0.00 N ATOM 1556 CA LEU A 102 23.788 3.012 84.849 1.00 0.00 C ATOM 1557 C LEU A 102 23.801 1.859 85.803 1.00 0.00 C ATOM 1558 O LEU A 102 24.126 2.021 86.956 1.00 0.00 O ATOM 1559 CB LEU A 102 22.459 3.023 84.091 1.00 0.00 C ATOM 1560 CG LEU A 102 21.310 3.462 85.028 1.00 0.00 C ATOM 1561 CD1 LEU A 102 19.981 3.420 84.274 1.00 0.00 C ATOM 1562 CD2 LEU A 102 21.207 2.532 86.242 1.00 0.00 C ATOM 0 H LEU A 102 24.739 2.965 82.938 1.00 0.00 H new ATOM 0 HA LEU A 102 23.876 3.962 85.376 1.00 0.00 H new ATOM 0 HB2 LEU A 102 22.523 3.702 83.241 1.00 0.00 H new ATOM 0 HB3 LEU A 102 22.252 2.030 83.691 1.00 0.00 H new ATOM 0 HG LEU A 102 21.524 4.476 85.367 1.00 0.00 H new ATOM 0 HD11 LEU A 102 19.175 3.730 84.939 1.00 0.00 H new ATOM 0 HD12 LEU A 102 20.026 4.095 83.419 1.00 0.00 H new ATOM 0 HD13 LEU A 102 19.793 2.405 83.925 1.00 0.00 H new ATOM 0 HD21 LEU A 102 20.391 2.862 86.885 1.00 0.00 H new ATOM 0 HD22 LEU A 102 21.014 1.514 85.905 1.00 0.00 H new ATOM 0 HD23 LEU A 102 22.143 2.558 86.800 1.00 0.00 H new ATOM 1574 N THR A 103 23.408 0.702 85.348 1.00 0.00 N ATOM 1575 CA THR A 103 23.342 -0.454 86.270 1.00 0.00 C ATOM 1576 C THR A 103 23.189 0.070 87.707 1.00 0.00 C ATOM 1577 O THR A 103 22.164 0.620 88.090 1.00 0.00 O ATOM 1578 CB THR A 103 24.625 -1.278 86.165 1.00 0.00 C ATOM 1579 OG1 THR A 103 24.825 -1.975 87.385 1.00 0.00 O ATOM 1580 CG2 THR A 103 25.817 -0.357 85.909 1.00 0.00 C ATOM 0 H THR A 103 23.133 0.512 84.384 1.00 0.00 H new ATOM 0 HA THR A 103 22.493 -1.085 86.007 1.00 0.00 H new ATOM 0 HB THR A 103 24.536 -1.984 85.339 1.00 0.00 H new ATOM 0 HG1 THR A 103 25.724 -2.365 87.395 1.00 0.00 H new ATOM 0 HG21 THR A 103 26.727 -0.952 85.835 1.00 0.00 H new ATOM 0 HG22 THR A 103 25.663 0.187 84.977 1.00 0.00 H new ATOM 0 HG23 THR A 103 25.912 0.352 86.732 1.00 0.00 H new ATOM 1588 N ALA A 104 24.202 -0.089 88.501 1.00 0.00 N ATOM 1589 CA ALA A 104 24.131 0.393 89.913 1.00 0.00 C ATOM 1590 C ALA A 104 24.777 1.779 90.071 1.00 0.00 C ATOM 1591 O ALA A 104 24.449 2.513 90.984 1.00 0.00 O ATOM 1592 CB ALA A 104 24.843 -0.603 90.831 1.00 0.00 C ATOM 0 H ALA A 104 25.082 -0.533 88.238 1.00 0.00 H new ATOM 0 HA ALA A 104 23.079 0.474 90.187 1.00 0.00 H new ATOM 0 HB1 ALA A 104 24.791 -0.250 91.861 1.00 0.00 H new ATOM 0 HB2 ALA A 104 24.359 -1.577 90.756 1.00 0.00 H new ATOM 0 HB3 ALA A 104 25.887 -0.692 90.531 1.00 0.00 H new ATOM 1598 N LEU A 105 25.721 2.138 89.232 1.00 0.00 N ATOM 1599 CA LEU A 105 26.406 3.457 89.392 1.00 0.00 C ATOM 1600 C LEU A 105 25.413 4.626 89.443 1.00 0.00 C ATOM 1601 O LEU A 105 25.350 5.348 90.416 1.00 0.00 O ATOM 1602 CB LEU A 105 27.341 3.693 88.206 1.00 0.00 C ATOM 1603 CG LEU A 105 28.179 2.447 87.920 1.00 0.00 C ATOM 1604 CD1 LEU A 105 29.250 2.797 86.886 1.00 0.00 C ATOM 1605 CD2 LEU A 105 28.852 1.960 89.204 1.00 0.00 C ATOM 0 H LEU A 105 26.045 1.575 88.446 1.00 0.00 H new ATOM 0 HA LEU A 105 26.953 3.420 90.334 1.00 0.00 H new ATOM 0 HB2 LEU A 105 26.757 3.955 87.323 1.00 0.00 H new ATOM 0 HB3 LEU A 105 27.997 4.538 88.417 1.00 0.00 H new ATOM 0 HG LEU A 105 27.534 1.656 87.538 1.00 0.00 H new ATOM 0 HD11 LEU A 105 29.854 1.915 86.675 1.00 0.00 H new ATOM 0 HD12 LEU A 105 28.772 3.138 85.968 1.00 0.00 H new ATOM 0 HD13 LEU A 105 29.889 3.589 87.278 1.00 0.00 H new ATOM 0 HD21 LEU A 105 29.446 1.072 88.989 1.00 0.00 H new ATOM 0 HD22 LEU A 105 29.500 2.744 89.595 1.00 0.00 H new ATOM 0 HD23 LEU A 105 28.090 1.716 89.944 1.00 0.00 H new ATOM 1617 N GLU A 106 24.678 4.855 88.390 1.00 0.00 N ATOM 1618 CA GLU A 106 23.748 6.011 88.375 1.00 0.00 C ATOM 1619 C GLU A 106 22.450 5.657 89.092 1.00 0.00 C ATOM 1620 O GLU A 106 21.631 6.512 89.361 1.00 0.00 O ATOM 1621 CB GLU A 106 23.435 6.358 86.921 1.00 0.00 C ATOM 1622 CG GLU A 106 24.738 6.590 86.155 1.00 0.00 C ATOM 1623 CD GLU A 106 25.438 7.832 86.709 1.00 0.00 C ATOM 1624 OE1 GLU A 106 24.765 8.832 86.898 1.00 0.00 O ATOM 1625 OE2 GLU A 106 26.634 7.762 86.937 1.00 0.00 O ATOM 0 H GLU A 106 24.683 4.290 87.541 1.00 0.00 H new ATOM 0 HA GLU A 106 24.211 6.857 88.884 1.00 0.00 H new ATOM 0 HB2 GLU A 106 22.869 5.550 86.458 1.00 0.00 H new ATOM 0 HB3 GLU A 106 22.811 7.251 86.876 1.00 0.00 H new ATOM 0 HG2 GLU A 106 25.388 5.720 86.249 1.00 0.00 H new ATOM 0 HG3 GLU A 106 24.530 6.719 85.093 1.00 0.00 H new ATOM 1632 N ALA A 107 22.240 4.408 89.394 1.00 0.00 N ATOM 1633 CA ALA A 107 20.971 4.033 90.078 1.00 0.00 C ATOM 1634 C ALA A 107 21.001 4.364 91.574 1.00 0.00 C ATOM 1635 O ALA A 107 19.989 4.731 92.137 1.00 0.00 O ATOM 1636 CB ALA A 107 20.726 2.537 89.935 1.00 0.00 C ATOM 0 H ALA A 107 22.882 3.639 89.201 1.00 0.00 H new ATOM 0 HA ALA A 107 20.176 4.609 89.605 1.00 0.00 H new ATOM 0 HB1 ALA A 107 19.796 2.271 90.438 1.00 0.00 H new ATOM 0 HB2 ALA A 107 20.654 2.280 88.878 1.00 0.00 H new ATOM 0 HB3 ALA A 107 21.553 1.988 90.386 1.00 0.00 H new ATOM 1642 N THR A 108 22.102 4.191 92.255 1.00 0.00 N ATOM 1643 CA THR A 108 22.067 4.453 93.716 1.00 0.00 C ATOM 1644 C THR A 108 23.450 4.717 94.308 1.00 0.00 C ATOM 1645 O THR A 108 24.405 5.050 93.632 1.00 0.00 O ATOM 1646 CB THR A 108 21.525 3.187 94.367 1.00 0.00 C ATOM 1647 OG1 THR A 108 21.586 3.303 95.784 1.00 0.00 O ATOM 1648 CG2 THR A 108 22.380 1.994 93.903 1.00 0.00 C ATOM 0 H THR A 108 22.998 3.888 91.874 1.00 0.00 H new ATOM 0 HA THR A 108 21.458 5.339 93.895 1.00 0.00 H new ATOM 0 HB THR A 108 20.485 3.037 94.076 1.00 0.00 H new ATOM 0 HG1 THR A 108 20.929 2.700 96.190 1.00 0.00 H new ATOM 0 HG21 THR A 108 22.005 1.078 94.360 1.00 0.00 H new ATOM 0 HG22 THR A 108 22.325 1.907 92.818 1.00 0.00 H new ATOM 0 HG23 THR A 108 23.416 2.151 94.202 1.00 0.00 H new ATOM 1656 N ASP A 109 23.529 4.508 95.593 1.00 0.00 N ATOM 1657 CA ASP A 109 24.792 4.654 96.353 1.00 0.00 C ATOM 1658 C ASP A 109 24.779 3.597 97.461 1.00 0.00 C ATOM 1659 O ASP A 109 25.710 3.477 98.231 1.00 0.00 O ATOM 1660 CB ASP A 109 24.893 6.049 96.970 1.00 0.00 C ATOM 1661 CG ASP A 109 26.296 6.243 97.549 1.00 0.00 C ATOM 1662 OD1 ASP A 109 27.248 5.867 96.885 1.00 0.00 O ATOM 1663 OD2 ASP A 109 26.394 6.757 98.651 1.00 0.00 O ATOM 0 H ASP A 109 22.732 4.230 96.166 1.00 0.00 H new ATOM 0 HA ASP A 109 25.648 4.521 95.692 1.00 0.00 H new ATOM 0 HB2 ASP A 109 24.690 6.809 96.215 1.00 0.00 H new ATOM 0 HB3 ASP A 109 24.144 6.169 97.753 1.00 0.00 H new ATOM 1668 N ASN A 110 23.724 2.813 97.528 1.00 0.00 N ATOM 1669 CA ASN A 110 23.646 1.744 98.562 1.00 0.00 C ATOM 1670 C ASN A 110 24.534 0.590 98.098 1.00 0.00 C ATOM 1671 O ASN A 110 24.598 0.276 96.927 1.00 0.00 O ATOM 1672 CB ASN A 110 22.195 1.277 98.730 1.00 0.00 C ATOM 1673 CG ASN A 110 21.641 0.847 97.383 1.00 0.00 C ATOM 1674 OD1 ASN A 110 20.680 1.408 96.895 1.00 0.00 O ATOM 1675 ND2 ASN A 110 22.211 -0.136 96.768 1.00 0.00 N ATOM 0 H ASN A 110 22.917 2.873 96.907 1.00 0.00 H new ATOM 0 HA ASN A 110 23.986 2.116 99.528 1.00 0.00 H new ATOM 0 HB2 ASN A 110 22.148 0.448 99.436 1.00 0.00 H new ATOM 0 HB3 ASN A 110 21.588 2.082 99.144 1.00 0.00 H new ATOM 0 HD21 ASN A 110 21.855 -0.448 95.864 1.00 0.00 H new ATOM 0 HD22 ASN A 110 23.017 -0.600 97.186 1.00 0.00 H new ATOM 1682 N GLN A 111 25.261 -0.001 98.994 1.00 0.00 N ATOM 1683 CA GLN A 111 26.200 -1.090 98.602 1.00 0.00 C ATOM 1684 C GLN A 111 25.479 -2.430 98.348 1.00 0.00 C ATOM 1685 O GLN A 111 26.109 -3.444 98.130 1.00 0.00 O ATOM 1686 CB GLN A 111 27.243 -1.215 99.713 1.00 0.00 C ATOM 1687 CG GLN A 111 27.984 -2.549 99.629 1.00 0.00 C ATOM 1688 CD GLN A 111 29.246 -2.454 100.479 1.00 0.00 C ATOM 1689 OE1 GLN A 111 30.245 -1.919 100.043 1.00 0.00 O ATOM 1690 NE2 GLN A 111 29.241 -2.944 101.687 1.00 0.00 N ATOM 0 H GLN A 111 25.249 0.221 99.989 1.00 0.00 H new ATOM 0 HA GLN A 111 26.677 -0.838 97.655 1.00 0.00 H new ATOM 0 HB2 GLN A 111 27.957 -0.394 99.639 1.00 0.00 H new ATOM 0 HB3 GLN A 111 26.756 -1.127 100.684 1.00 0.00 H new ATOM 0 HG2 GLN A 111 27.348 -3.359 99.985 1.00 0.00 H new ATOM 0 HG3 GLN A 111 28.240 -2.776 98.594 1.00 0.00 H new ATOM 0 HE21 GLN A 111 28.401 -3.393 102.052 1.00 0.00 H new ATOM 0 HE22 GLN A 111 30.077 -2.878 102.267 1.00 0.00 H new ATOM 1699 N ALA A 112 24.178 -2.455 98.334 1.00 0.00 N ATOM 1700 CA ALA A 112 23.479 -3.746 98.060 1.00 0.00 C ATOM 1701 C ALA A 112 23.435 -3.956 96.553 1.00 0.00 C ATOM 1702 O ALA A 112 23.841 -4.974 96.009 1.00 0.00 O ATOM 1703 CB ALA A 112 22.046 -3.676 98.596 1.00 0.00 C ATOM 0 H ALA A 112 23.572 -1.651 98.498 1.00 0.00 H new ATOM 0 HA ALA A 112 24.007 -4.567 98.545 1.00 0.00 H new ATOM 0 HB1 ALA A 112 21.536 -4.618 98.396 1.00 0.00 H new ATOM 0 HB2 ALA A 112 22.068 -3.497 99.671 1.00 0.00 H new ATOM 0 HB3 ALA A 112 21.513 -2.863 98.103 1.00 0.00 H new ATOM 1709 N ILE A 113 22.954 -2.976 95.886 1.00 0.00 N ATOM 1710 CA ILE A 113 22.854 -3.033 94.414 1.00 0.00 C ATOM 1711 C ILE A 113 24.247 -2.992 93.827 1.00 0.00 C ATOM 1712 O ILE A 113 24.581 -3.739 92.926 1.00 0.00 O ATOM 1713 CB ILE A 113 22.073 -1.807 93.966 1.00 0.00 C ATOM 1714 CG1 ILE A 113 20.617 -1.974 94.414 1.00 0.00 C ATOM 1715 CG2 ILE A 113 22.134 -1.650 92.436 1.00 0.00 C ATOM 1716 CD1 ILE A 113 20.033 -0.638 94.881 1.00 0.00 C ATOM 0 H ILE A 113 22.614 -2.109 96.303 1.00 0.00 H new ATOM 0 HA ILE A 113 22.356 -3.945 94.085 1.00 0.00 H new ATOM 0 HB ILE A 113 22.509 -0.914 94.413 1.00 0.00 H new ATOM 0 HG12 ILE A 113 20.022 -2.368 93.590 1.00 0.00 H new ATOM 0 HG13 ILE A 113 20.562 -2.702 95.223 1.00 0.00 H new ATOM 0 HG21 ILE A 113 21.569 -0.767 92.138 1.00 0.00 H new ATOM 0 HG22 ILE A 113 23.172 -1.539 92.123 1.00 0.00 H new ATOM 0 HG23 ILE A 113 21.704 -2.533 91.962 1.00 0.00 H new ATOM 0 HD11 ILE A 113 18.999 -0.782 95.194 1.00 0.00 H new ATOM 0 HD12 ILE A 113 20.617 -0.259 95.720 1.00 0.00 H new ATOM 0 HD13 ILE A 113 20.067 0.080 94.062 1.00 0.00 H new ATOM 1728 N LYS A 114 25.069 -2.124 94.324 1.00 0.00 N ATOM 1729 CA LYS A 114 26.432 -2.044 93.781 1.00 0.00 C ATOM 1730 C LYS A 114 27.041 -3.446 93.850 1.00 0.00 C ATOM 1731 O LYS A 114 28.038 -3.742 93.216 1.00 0.00 O ATOM 1732 CB LYS A 114 27.255 -1.041 94.599 1.00 0.00 C ATOM 1733 CG LYS A 114 26.478 0.284 94.728 1.00 0.00 C ATOM 1734 CD LYS A 114 26.760 1.185 93.520 1.00 0.00 C ATOM 1735 CE LYS A 114 26.265 2.603 93.817 1.00 0.00 C ATOM 1736 NZ LYS A 114 25.988 3.315 92.538 1.00 0.00 N ATOM 0 H LYS A 114 24.854 -1.472 95.078 1.00 0.00 H new ATOM 0 HA LYS A 114 26.424 -1.699 92.747 1.00 0.00 H new ATOM 0 HB2 LYS A 114 27.465 -1.449 95.588 1.00 0.00 H new ATOM 0 HB3 LYS A 114 28.216 -0.865 94.116 1.00 0.00 H new ATOM 0 HG2 LYS A 114 25.409 0.082 94.798 1.00 0.00 H new ATOM 0 HG3 LYS A 114 26.766 0.795 95.647 1.00 0.00 H new ATOM 0 HD2 LYS A 114 27.828 1.199 93.304 1.00 0.00 H new ATOM 0 HD3 LYS A 114 26.261 0.792 92.634 1.00 0.00 H new ATOM 0 HE2 LYS A 114 25.362 2.563 94.426 1.00 0.00 H new ATOM 0 HE3 LYS A 114 27.014 3.147 94.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 25.604 4.260 92.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 26.870 3.410 91.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 25.296 2.773 91.982 1.00 0.00 H new ATOM 1750 N ALA A 115 26.412 -4.324 94.592 1.00 0.00 N ATOM 1751 CA ALA A 115 26.916 -5.714 94.678 1.00 0.00 C ATOM 1752 C ALA A 115 26.848 -6.310 93.283 1.00 0.00 C ATOM 1753 O ALA A 115 27.752 -6.997 92.850 1.00 0.00 O ATOM 1754 CB ALA A 115 26.055 -6.541 95.638 1.00 0.00 C ATOM 0 H ALA A 115 25.573 -4.131 95.138 1.00 0.00 H new ATOM 0 HA ALA A 115 27.938 -5.721 95.056 1.00 0.00 H new ATOM 0 HB1 ALA A 115 26.441 -7.559 95.688 1.00 0.00 H new ATOM 0 HB2 ALA A 115 26.084 -6.093 96.631 1.00 0.00 H new ATOM 0 HB3 ALA A 115 25.026 -6.560 95.279 1.00 0.00 H new ATOM 1760 N LEU A 116 25.802 -6.019 92.548 1.00 0.00 N ATOM 1761 CA LEU A 116 25.725 -6.552 91.158 1.00 0.00 C ATOM 1762 C LEU A 116 26.786 -5.833 90.326 1.00 0.00 C ATOM 1763 O LEU A 116 27.076 -6.205 89.204 1.00 0.00 O ATOM 1764 CB LEU A 116 24.336 -6.276 90.551 1.00 0.00 C ATOM 1765 CG LEU A 116 23.431 -7.522 90.600 1.00 0.00 C ATOM 1766 CD1 LEU A 116 22.227 -7.289 89.681 1.00 0.00 C ATOM 1767 CD2 LEU A 116 24.179 -8.775 90.119 1.00 0.00 C ATOM 0 H LEU A 116 25.013 -5.446 92.846 1.00 0.00 H new ATOM 0 HA LEU A 116 25.891 -7.629 91.164 1.00 0.00 H new ATOM 0 HB2 LEU A 116 23.859 -5.459 91.092 1.00 0.00 H new ATOM 0 HB3 LEU A 116 24.450 -5.950 89.517 1.00 0.00 H new ATOM 0 HG LEU A 116 23.116 -7.681 91.631 1.00 0.00 H new ATOM 0 HD11 LEU A 116 21.576 -8.163 89.705 1.00 0.00 H new ATOM 0 HD12 LEU A 116 21.673 -6.415 90.022 1.00 0.00 H new ATOM 0 HD13 LEU A 116 22.574 -7.123 88.661 1.00 0.00 H new ATOM 0 HD21 LEU A 116 23.513 -9.637 90.166 1.00 0.00 H new ATOM 0 HD22 LEU A 116 24.511 -8.628 89.091 1.00 0.00 H new ATOM 0 HD23 LEU A 116 25.044 -8.950 90.758 1.00 0.00 H new ATOM 1779 N LEU A 117 27.382 -4.812 90.883 1.00 0.00 N ATOM 1780 CA LEU A 117 28.444 -4.074 90.136 1.00 0.00 C ATOM 1781 C LEU A 117 29.725 -4.885 90.256 1.00 0.00 C ATOM 1782 O LEU A 117 30.769 -4.520 89.750 1.00 0.00 O ATOM 1783 CB LEU A 117 28.657 -2.679 90.754 1.00 0.00 C ATOM 1784 CG LEU A 117 28.912 -1.630 89.658 1.00 0.00 C ATOM 1785 CD1 LEU A 117 30.162 -1.995 88.853 1.00 0.00 C ATOM 1786 CD2 LEU A 117 27.703 -1.555 88.713 1.00 0.00 C ATOM 0 H LEU A 117 27.181 -4.458 91.818 1.00 0.00 H new ATOM 0 HA LEU A 117 28.157 -3.944 89.092 1.00 0.00 H new ATOM 0 HB2 LEU A 117 27.780 -2.397 91.337 1.00 0.00 H new ATOM 0 HB3 LEU A 117 29.502 -2.706 91.442 1.00 0.00 H new ATOM 0 HG LEU A 117 29.063 -0.661 90.134 1.00 0.00 H new ATOM 0 HD11 LEU A 117 30.330 -1.244 88.081 1.00 0.00 H new ATOM 0 HD12 LEU A 117 31.025 -2.031 89.518 1.00 0.00 H new ATOM 0 HD13 LEU A 117 30.022 -2.970 88.386 1.00 0.00 H new ATOM 0 HD21 LEU A 117 27.891 -0.810 87.940 1.00 0.00 H new ATOM 0 HD22 LEU A 117 27.543 -2.528 88.248 1.00 0.00 H new ATOM 0 HD23 LEU A 117 26.815 -1.274 89.279 1.00 0.00 H new ATOM 1798 N GLN A 118 29.635 -5.995 90.929 1.00 0.00 N ATOM 1799 CA GLN A 118 30.821 -6.868 91.112 1.00 0.00 C ATOM 1800 C GLN A 118 31.210 -7.485 89.766 1.00 0.00 C ATOM 1801 O GLN A 118 30.430 -7.369 88.835 1.00 0.00 O ATOM 1802 CB GLN A 118 30.461 -7.993 92.090 1.00 0.00 C ATOM 1803 CG GLN A 118 29.434 -8.929 91.436 1.00 0.00 C ATOM 1804 CD GLN A 118 30.158 -9.967 90.573 1.00 0.00 C ATOM 1805 OE1 GLN A 118 30.070 -9.934 89.362 1.00 0.00 O ATOM 1806 NE2 GLN A 118 30.876 -10.890 91.150 1.00 0.00 N ATOM 1807 OXT GLN A 118 32.279 -8.068 89.690 1.00 0.00 O ATOM 0 H GLN A 118 28.779 -6.338 91.365 1.00 0.00 H new ATOM 0 HA GLN A 118 31.654 -6.282 91.502 1.00 0.00 H new ATOM 0 HB2 GLN A 118 31.356 -8.552 92.364 1.00 0.00 H new ATOM 0 HB3 GLN A 118 30.053 -7.574 93.010 1.00 0.00 H new ATOM 0 HG2 GLN A 118 28.842 -9.429 92.203 1.00 0.00 H new ATOM 0 HG3 GLN A 118 28.740 -8.353 90.824 1.00 0.00 H new ATOM 0 HE21 GLN A 118 30.950 -10.917 92.167 1.00 0.00 H new ATOM 0 HE22 GLN A 118 31.364 -11.585 90.584 1.00 0.00 H new