USER MOD reduce.3.24.130724 H: found=0, std=0, add=896, rem=0, adj=33 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 68 HIS :FLIP no HD1:sc= -0.846 F(o=-1.4,f=-0.85) USER MOD Set 1.2: A 97 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.564) USER MOD Set 2.1: A 94 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.168) USER MOD Set 2.2: A 95 THR OG1 : rot 170:sc= -2.99! USER MOD Set 3.1: A 37 LYS NZ :NH3+ -162:sc= 0.361 (180deg=-1.06) USER MOD Set 3.2: A 67 HIS :FLIP no HD1:sc= -4.38! C(o=-9!,f=-4!) USER MOD Single : A 4 LYS NZ :NH3+ -160:sc= -0.0649 (180deg=-0.66) USER MOD Single : A 7 MET CE :methyl -116:sc= -0.244 (180deg=-2.12) USER MOD Single : A 11 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0654) USER MOD Single : A 12 ASN : amide:sc= -0.0647 K(o=-0.065,f=-0.62) USER MOD Single : A 19 LYS NZ :NH3+ 150:sc= -0.185 (180deg=-0.868) USER MOD Single : A 21 TYR OH : rot -149:sc= 0.456 USER MOD Single : A 24 LYS NZ :NH3+ 155:sc= -0.0732 (180deg=-0.682) USER MOD Single : A 29 ASN :FLIP amide:sc= -1.6 F(o=-5.1!,f=-1.6) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.0512 USER MOD Single : A 40 HIS : no HD1:sc= -0.381 K(o=-0.38,f=-1) USER MOD Single : A 41 TYR OH : rot 180:sc= -1.16 USER MOD Single : A 45 CYS SG : rot -18:sc= -1.36! USER MOD Single : A 47 GLN :FLIP amide:sc= -3.9! C(o=-7.1!,f=-3.9!) USER MOD Single : A 57 LYS NZ :NH3+ 132:sc= -0.118 (180deg=-0.467) USER MOD Single : A 62 ASN :FLIP amide:sc= -0.307! C(o=-13!,f=-0.31!) USER MOD Single : A 66 LYS NZ :NH3+ 152:sc= -0.178 (180deg=-1.32) USER MOD Single : A 70 THR OG1 : rot 105:sc= -4.42! USER MOD Single : A 74 SER OG : rot -98:sc= -0.787 USER MOD Single : A 77 TYR OH : rot -140:sc= -0.45 USER MOD Single : A 80 HIS : no HD1:sc= -2.65! C(o=-2.6!,f=-3.5!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot 159:sc= -5.4! USER MOD Single : A 85 LYS NZ :NH3+ -149:sc= -2.16 (180deg=-3.82!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -118:sc= 1.46 (180deg=-1.79) USER MOD Single : A 103 THR OG1 : rot -139:sc= -0.495! USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.0393! USER MOD Single : A 110 ASN :FLIP amide:sc= -16.2! C(o=-22!,f=-16!) USER MOD Single : A 111 GLN : amide:sc= -0.0474 X(o=-0.047,f=-0.27) USER MOD Single : A 114 LYS NZ :NH3+ 175:sc= -1.13 (180deg=-1.35) USER MOD Single : A 118 GLN :FLIP amide:sc= 0 F(o=-0.96,f=0) USER MOD ----------------------------------------------------------------- ATOM 43 N LYS A 4 -6.611 -7.623 86.433 1.00 0.00 N ATOM 44 CA LYS A 4 -6.455 -7.392 87.893 1.00 0.00 C ATOM 45 C LYS A 4 -5.889 -8.651 88.553 1.00 0.00 C ATOM 46 O LYS A 4 -4.744 -8.687 88.959 1.00 0.00 O ATOM 47 CB LYS A 4 -7.819 -7.055 88.498 1.00 0.00 C ATOM 48 CG LYS A 4 -8.480 -5.945 87.676 1.00 0.00 C ATOM 49 CD LYS A 4 -9.683 -5.387 88.439 1.00 0.00 C ATOM 50 CE LYS A 4 -10.480 -4.454 87.524 1.00 0.00 C ATOM 51 NZ LYS A 4 -9.559 -3.461 86.902 1.00 0.00 N ATOM 0 HA LYS A 4 -5.769 -6.562 88.063 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.453 -7.941 88.509 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -7.701 -6.735 89.533 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -7.762 -5.149 87.477 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.799 -6.335 86.710 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -10.317 -6.203 88.786 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -9.347 -4.846 89.324 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.986 -5.031 86.750 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -11.253 -3.940 88.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -10.106 -2.643 86.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -8.861 -3.146 87.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -9.066 -3.900 86.099 1.00 0.00 H new ATOM 65 N GLU A 5 -6.679 -9.684 88.664 1.00 0.00 N ATOM 66 CA GLU A 5 -6.183 -10.939 89.301 1.00 0.00 C ATOM 67 C GLU A 5 -4.792 -11.294 88.752 1.00 0.00 C ATOM 68 O GLU A 5 -4.012 -11.954 89.408 1.00 0.00 O ATOM 69 CB GLU A 5 -7.163 -12.080 89.005 1.00 0.00 C ATOM 70 CG GLU A 5 -8.213 -12.159 90.118 1.00 0.00 C ATOM 71 CD GLU A 5 -9.337 -13.108 89.698 1.00 0.00 C ATOM 72 OE1 GLU A 5 -9.162 -14.306 89.849 1.00 0.00 O ATOM 73 OE2 GLU A 5 -10.355 -12.620 89.237 1.00 0.00 O ATOM 0 H GLU A 5 -7.646 -9.714 88.342 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.110 -10.791 90.378 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -7.649 -11.915 88.044 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.625 -13.025 88.931 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -7.753 -12.511 91.041 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -8.618 -11.167 90.321 1.00 0.00 H new ATOM 80 N PHE A 6 -4.477 -10.859 87.561 1.00 0.00 N ATOM 81 CA PHE A 6 -3.136 -11.165 86.975 1.00 0.00 C ATOM 82 C PHE A 6 -2.055 -10.454 87.805 1.00 0.00 C ATOM 83 O PHE A 6 -1.376 -11.065 88.606 1.00 0.00 O ATOM 84 CB PHE A 6 -3.093 -10.663 85.522 1.00 0.00 C ATOM 85 CG PHE A 6 -2.018 -11.365 84.700 1.00 0.00 C ATOM 86 CD1 PHE A 6 -0.944 -12.044 85.309 1.00 0.00 C ATOM 87 CD2 PHE A 6 -2.102 -11.321 83.302 1.00 0.00 C ATOM 88 CE1 PHE A 6 0.029 -12.668 84.516 1.00 0.00 C ATOM 89 CE2 PHE A 6 -1.127 -11.943 82.513 1.00 0.00 C ATOM 90 CZ PHE A 6 -0.063 -12.618 83.118 1.00 0.00 C ATOM 0 H PHE A 6 -5.091 -10.303 86.966 1.00 0.00 H new ATOM 0 HA PHE A 6 -2.957 -12.240 86.989 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -4.065 -10.822 85.056 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -2.908 -9.589 85.516 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -0.871 -12.084 86.386 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -2.924 -10.804 82.830 1.00 0.00 H new ATOM 0 HE1 PHE A 6 0.852 -13.189 84.983 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -1.197 -11.901 81.436 1.00 0.00 H new ATOM 0 HZ PHE A 6 0.687 -13.100 82.509 1.00 0.00 H new ATOM 100 N MET A 7 -1.881 -9.172 87.614 1.00 0.00 N ATOM 101 CA MET A 7 -0.833 -8.435 88.383 1.00 0.00 C ATOM 102 C MET A 7 -1.076 -8.571 89.894 1.00 0.00 C ATOM 103 O MET A 7 -0.146 -8.613 90.675 1.00 0.00 O ATOM 104 CB MET A 7 -0.840 -6.951 87.972 1.00 0.00 C ATOM 105 CG MET A 7 -1.815 -6.150 88.843 1.00 0.00 C ATOM 106 SD MET A 7 -2.266 -4.619 87.986 1.00 0.00 S ATOM 107 CE MET A 7 -3.318 -5.355 86.708 1.00 0.00 C ATOM 0 H MET A 7 -2.418 -8.604 86.960 1.00 0.00 H new ATOM 0 HA MET A 7 0.142 -8.866 88.155 1.00 0.00 H new ATOM 0 HB2 MET A 7 0.164 -6.538 88.068 1.00 0.00 H new ATOM 0 HB3 MET A 7 -1.123 -6.861 86.923 1.00 0.00 H new ATOM 0 HG2 MET A 7 -2.707 -6.742 89.048 1.00 0.00 H new ATOM 0 HG3 MET A 7 -1.357 -5.920 89.805 1.00 0.00 H new ATOM 0 HE1 MET A 7 -2.872 -5.186 85.728 1.00 0.00 H new ATOM 0 HE2 MET A 7 -3.410 -6.427 86.885 1.00 0.00 H new ATOM 0 HE3 MET A 7 -4.306 -4.896 86.741 1.00 0.00 H new ATOM 117 N TRP A 8 -2.312 -8.625 90.316 1.00 0.00 N ATOM 118 CA TRP A 8 -2.601 -8.742 91.778 1.00 0.00 C ATOM 119 C TRP A 8 -1.760 -9.856 92.408 1.00 0.00 C ATOM 120 O TRP A 8 -1.491 -9.845 93.593 1.00 0.00 O ATOM 121 CB TRP A 8 -4.084 -9.050 91.976 1.00 0.00 C ATOM 122 CG TRP A 8 -4.444 -8.854 93.414 1.00 0.00 C ATOM 123 CD1 TRP A 8 -4.582 -9.847 94.322 1.00 0.00 C ATOM 124 CD2 TRP A 8 -4.710 -7.609 94.124 1.00 0.00 C ATOM 125 NE1 TRP A 8 -4.918 -9.291 95.543 1.00 0.00 N ATOM 126 CE2 TRP A 8 -5.011 -7.915 95.472 1.00 0.00 C ATOM 127 CE3 TRP A 8 -4.723 -6.257 93.733 1.00 0.00 C ATOM 128 CZ2 TRP A 8 -5.310 -6.917 96.399 1.00 0.00 C ATOM 129 CZ3 TRP A 8 -5.025 -5.250 94.664 1.00 0.00 C ATOM 130 CH2 TRP A 8 -5.319 -5.580 95.994 1.00 0.00 C ATOM 0 H TRP A 8 -3.134 -8.593 89.713 1.00 0.00 H new ATOM 0 HA TRP A 8 -2.348 -7.799 92.262 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -4.689 -8.398 91.346 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -4.298 -10.075 91.673 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -4.451 -10.901 94.126 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -5.078 -9.832 96.393 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -4.499 -5.992 92.710 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -5.533 -7.176 97.423 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -5.031 -4.216 94.353 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -5.552 -4.801 96.705 1.00 0.00 H new ATOM 141 N ALA A 9 -1.348 -10.820 91.634 1.00 0.00 N ATOM 142 CA ALA A 9 -0.532 -11.930 92.203 1.00 0.00 C ATOM 143 C ALA A 9 0.952 -11.551 92.187 1.00 0.00 C ATOM 144 O ALA A 9 1.623 -11.600 93.200 1.00 0.00 O ATOM 145 CB ALA A 9 -0.746 -13.209 91.395 1.00 0.00 C ATOM 0 H ALA A 9 -1.540 -10.888 90.635 1.00 0.00 H new ATOM 0 HA ALA A 9 -0.846 -12.103 93.232 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.145 -14.013 91.820 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.799 -13.488 91.427 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -0.447 -13.040 90.361 1.00 0.00 H new ATOM 151 N LEU A 10 1.471 -11.164 91.053 1.00 0.00 N ATOM 152 CA LEU A 10 2.905 -10.766 90.991 1.00 0.00 C ATOM 153 C LEU A 10 3.132 -9.657 92.017 1.00 0.00 C ATOM 154 O LEU A 10 4.245 -9.239 92.281 1.00 0.00 O ATOM 155 CB LEU A 10 3.231 -10.221 89.592 1.00 0.00 C ATOM 156 CG LEU A 10 3.045 -11.315 88.529 1.00 0.00 C ATOM 157 CD1 LEU A 10 1.679 -11.166 87.850 1.00 0.00 C ATOM 158 CD2 LEU A 10 4.139 -11.176 87.469 1.00 0.00 C ATOM 0 H LEU A 10 0.965 -11.107 90.169 1.00 0.00 H new ATOM 0 HA LEU A 10 3.541 -11.626 91.200 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.584 -9.373 89.366 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.257 -9.854 89.569 1.00 0.00 H new ATOM 0 HG LEU A 10 3.105 -12.291 89.011 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.559 -11.947 87.099 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.890 -11.256 88.596 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.615 -10.189 87.371 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.012 -11.950 86.712 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.069 -10.194 87.000 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.117 -11.285 87.939 1.00 0.00 H new ATOM 170 N LYS A 11 2.054 -9.159 92.557 1.00 0.00 N ATOM 171 CA LYS A 11 2.120 -8.037 93.536 1.00 0.00 C ATOM 172 C LYS A 11 2.224 -8.531 94.986 1.00 0.00 C ATOM 173 O LYS A 11 3.225 -8.340 95.650 1.00 0.00 O ATOM 174 CB LYS A 11 0.838 -7.216 93.382 1.00 0.00 C ATOM 175 CG LYS A 11 0.699 -6.240 94.542 1.00 0.00 C ATOM 176 CD LYS A 11 -0.308 -5.163 94.152 1.00 0.00 C ATOM 177 CE LYS A 11 -0.714 -4.375 95.391 1.00 0.00 C ATOM 178 NZ LYS A 11 0.448 -3.575 95.867 1.00 0.00 N ATOM 0 H LYS A 11 1.110 -9.490 92.356 1.00 0.00 H new ATOM 0 HA LYS A 11 3.013 -7.447 93.331 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.857 -6.671 92.438 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.026 -7.879 93.349 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.366 -6.763 95.439 1.00 0.00 H new ATOM 0 HG3 LYS A 11 1.664 -5.790 94.775 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.128 -4.495 93.409 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -1.186 -5.619 93.694 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.552 -3.718 95.160 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.048 -5.054 96.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 0.137 -2.923 96.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 1.177 -4.213 96.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 0.842 -3.030 95.074 1.00 0.00 H new ATOM 192 N ASN A 12 1.173 -9.112 95.494 1.00 0.00 N ATOM 193 CA ASN A 12 1.170 -9.563 96.917 1.00 0.00 C ATOM 194 C ASN A 12 1.897 -10.896 97.085 1.00 0.00 C ATOM 195 O ASN A 12 1.832 -11.514 98.129 1.00 0.00 O ATOM 196 CB ASN A 12 -0.278 -9.727 97.369 1.00 0.00 C ATOM 197 CG ASN A 12 -0.318 -9.990 98.875 1.00 0.00 C ATOM 198 OD1 ASN A 12 0.113 -9.168 99.659 1.00 0.00 O ATOM 199 ND2 ASN A 12 -0.822 -11.110 99.315 1.00 0.00 N ATOM 0 H ASN A 12 0.310 -9.296 94.983 1.00 0.00 H new ATOM 0 HA ASN A 12 1.689 -8.817 97.519 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -0.848 -8.829 97.131 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -0.746 -10.553 96.833 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -0.854 -11.296 100.317 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -1.184 -11.800 98.657 1.00 0.00 H new ATOM 206 N GLY A 13 2.602 -11.344 96.092 1.00 0.00 N ATOM 207 CA GLY A 13 3.332 -12.623 96.239 1.00 0.00 C ATOM 208 C GLY A 13 2.366 -13.806 96.171 1.00 0.00 C ATOM 209 O GLY A 13 2.696 -14.900 96.584 1.00 0.00 O ATOM 0 H GLY A 13 2.704 -10.882 95.189 1.00 0.00 H new ATOM 0 HA2 GLY A 13 4.081 -12.713 95.452 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.865 -12.636 97.190 1.00 0.00 H new ATOM 213 N ASP A 14 1.187 -13.620 95.639 1.00 0.00 N ATOM 214 CA ASP A 14 0.255 -14.769 95.533 1.00 0.00 C ATOM 215 C ASP A 14 0.825 -15.717 94.490 1.00 0.00 C ATOM 216 O ASP A 14 0.168 -16.125 93.553 1.00 0.00 O ATOM 217 CB ASP A 14 -1.126 -14.303 95.102 1.00 0.00 C ATOM 218 CG ASP A 14 -1.488 -13.007 95.830 1.00 0.00 C ATOM 219 OD1 ASP A 14 -1.195 -12.913 97.012 1.00 0.00 O ATOM 220 OD2 ASP A 14 -2.053 -12.132 95.197 1.00 0.00 O ATOM 0 H ASP A 14 0.836 -12.732 95.279 1.00 0.00 H new ATOM 0 HA ASP A 14 0.153 -15.262 96.500 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.145 -14.143 94.024 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -1.865 -15.073 95.323 1.00 0.00 H new ATOM 225 N LEU A 15 2.064 -16.042 94.664 1.00 0.00 N ATOM 226 CA LEU A 15 2.778 -16.943 93.734 1.00 0.00 C ATOM 227 C LEU A 15 1.868 -18.106 93.333 1.00 0.00 C ATOM 228 O LEU A 15 1.961 -18.640 92.249 1.00 0.00 O ATOM 229 CB LEU A 15 4.031 -17.443 94.466 1.00 0.00 C ATOM 230 CG LEU A 15 4.879 -18.363 93.585 1.00 0.00 C ATOM 231 CD1 LEU A 15 4.232 -19.745 93.486 1.00 0.00 C ATOM 232 CD2 LEU A 15 5.040 -17.754 92.189 1.00 0.00 C ATOM 0 H LEU A 15 2.633 -15.708 95.442 1.00 0.00 H new ATOM 0 HA LEU A 15 3.062 -16.426 92.818 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.631 -16.590 94.783 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.735 -17.977 95.369 1.00 0.00 H new ATOM 0 HG LEU A 15 5.865 -18.470 94.038 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.845 -20.390 92.856 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.151 -20.181 94.482 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.238 -19.651 93.049 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.645 -18.417 91.570 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.059 -17.627 91.732 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.531 -16.784 92.270 1.00 0.00 H new ATOM 244 N ASP A 16 0.988 -18.494 94.199 1.00 0.00 N ATOM 245 CA ASP A 16 0.065 -19.610 93.889 1.00 0.00 C ATOM 246 C ASP A 16 -0.869 -19.219 92.733 1.00 0.00 C ATOM 247 O ASP A 16 -1.306 -20.058 91.967 1.00 0.00 O ATOM 248 CB ASP A 16 -0.755 -19.908 95.140 1.00 0.00 C ATOM 249 CG ASP A 16 0.165 -19.875 96.363 1.00 0.00 C ATOM 250 OD1 ASP A 16 0.758 -18.836 96.605 1.00 0.00 O ATOM 251 OD2 ASP A 16 0.266 -20.889 97.034 1.00 0.00 O ATOM 0 H ASP A 16 0.866 -18.080 95.123 1.00 0.00 H new ATOM 0 HA ASP A 16 0.631 -20.491 93.588 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.553 -19.174 95.250 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.231 -20.885 95.054 1.00 0.00 H new ATOM 256 N GLU A 17 -1.190 -17.956 92.612 1.00 0.00 N ATOM 257 CA GLU A 17 -2.112 -17.516 91.517 1.00 0.00 C ATOM 258 C GLU A 17 -1.367 -17.446 90.174 1.00 0.00 C ATOM 259 O GLU A 17 -1.855 -17.925 89.166 1.00 0.00 O ATOM 260 CB GLU A 17 -2.687 -16.139 91.849 1.00 0.00 C ATOM 261 CG GLU A 17 -3.887 -16.292 92.788 1.00 0.00 C ATOM 262 CD GLU A 17 -4.444 -14.910 93.133 1.00 0.00 C ATOM 263 OE1 GLU A 17 -3.862 -14.255 93.981 1.00 0.00 O ATOM 264 OE2 GLU A 17 -5.442 -14.532 92.543 1.00 0.00 O ATOM 0 H GLU A 17 -0.855 -17.210 93.222 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.919 -18.244 91.434 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.923 -15.519 92.318 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.992 -15.631 90.934 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.658 -16.899 92.314 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.587 -16.812 93.698 1.00 0.00 H new ATOM 271 N VAL A 18 -0.192 -16.867 90.139 1.00 0.00 N ATOM 272 CA VAL A 18 0.553 -16.800 88.841 1.00 0.00 C ATOM 273 C VAL A 18 0.882 -18.231 88.424 1.00 0.00 C ATOM 274 O VAL A 18 0.880 -18.574 87.256 1.00 0.00 O ATOM 275 CB VAL A 18 1.874 -16.020 89.010 1.00 0.00 C ATOM 276 CG1 VAL A 18 1.766 -14.621 88.386 1.00 0.00 C ATOM 277 CG2 VAL A 18 2.207 -15.889 90.497 1.00 0.00 C ATOM 0 H VAL A 18 0.279 -16.444 90.939 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.057 -16.293 88.094 1.00 0.00 H new ATOM 0 HB VAL A 18 2.666 -16.569 88.500 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.709 -14.090 88.517 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.547 -14.713 87.322 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.966 -14.065 88.875 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.140 -15.338 90.614 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.404 -15.354 91.004 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.315 -16.881 90.935 1.00 0.00 H new ATOM 287 N LYS A 19 1.162 -19.060 89.391 1.00 0.00 N ATOM 288 CA LYS A 19 1.493 -20.487 89.122 1.00 0.00 C ATOM 289 C LYS A 19 0.375 -21.127 88.285 1.00 0.00 C ATOM 290 O LYS A 19 0.612 -21.993 87.466 1.00 0.00 O ATOM 291 CB LYS A 19 1.624 -21.198 90.482 1.00 0.00 C ATOM 292 CG LYS A 19 1.943 -22.689 90.311 1.00 0.00 C ATOM 293 CD LYS A 19 3.440 -22.886 90.038 1.00 0.00 C ATOM 294 CE LYS A 19 4.224 -22.958 91.360 1.00 0.00 C ATOM 295 NZ LYS A 19 3.797 -24.160 92.133 1.00 0.00 N ATOM 0 H LYS A 19 1.175 -18.802 90.378 1.00 0.00 H new ATOM 0 HA LYS A 19 2.425 -20.573 88.563 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.410 -20.722 91.068 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.696 -21.086 91.043 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.656 -23.235 91.210 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.359 -23.101 89.488 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.594 -23.801 89.467 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.816 -22.063 89.430 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.294 -23.005 91.157 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.050 -22.056 91.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.592 -24.503 92.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.002 -23.909 92.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.499 -24.908 91.475 1.00 0.00 H new ATOM 309 N ASP A 20 -0.840 -20.716 88.501 1.00 0.00 N ATOM 310 CA ASP A 20 -1.987 -21.301 87.745 1.00 0.00 C ATOM 311 C ASP A 20 -1.996 -20.846 86.272 1.00 0.00 C ATOM 312 O ASP A 20 -2.264 -21.630 85.380 1.00 0.00 O ATOM 313 CB ASP A 20 -3.297 -20.875 88.419 1.00 0.00 C ATOM 314 CG ASP A 20 -4.397 -21.892 88.101 1.00 0.00 C ATOM 315 OD1 ASP A 20 -4.104 -23.076 88.113 1.00 0.00 O ATOM 316 OD2 ASP A 20 -5.515 -21.469 87.855 1.00 0.00 O ATOM 0 H ASP A 20 -1.094 -19.993 89.174 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.884 -22.386 87.756 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.156 -20.803 89.497 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.592 -19.885 88.070 1.00 0.00 H new ATOM 321 N TYR A 21 -1.743 -19.592 85.998 1.00 0.00 N ATOM 322 CA TYR A 21 -1.786 -19.134 84.573 1.00 0.00 C ATOM 323 C TYR A 21 -0.744 -19.883 83.727 1.00 0.00 C ATOM 324 O TYR A 21 -1.084 -20.541 82.764 1.00 0.00 O ATOM 325 CB TYR A 21 -1.517 -17.625 84.479 1.00 0.00 C ATOM 326 CG TYR A 21 -2.180 -16.884 85.622 1.00 0.00 C ATOM 327 CD1 TYR A 21 -3.382 -17.347 86.179 1.00 0.00 C ATOM 328 CD2 TYR A 21 -1.587 -15.717 86.119 1.00 0.00 C ATOM 329 CE1 TYR A 21 -3.984 -16.643 87.230 1.00 0.00 C ATOM 330 CE2 TYR A 21 -2.188 -15.015 87.170 1.00 0.00 C ATOM 331 CZ TYR A 21 -3.385 -15.476 87.726 1.00 0.00 C ATOM 332 OH TYR A 21 -3.975 -14.780 88.763 1.00 0.00 O ATOM 0 H TYR A 21 -1.512 -18.874 86.685 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.783 -19.348 84.188 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -0.443 -17.442 84.496 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.890 -17.244 83.528 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -3.843 -18.246 85.797 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -0.663 -15.358 85.690 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -4.909 -16.999 87.658 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -1.727 -14.116 87.552 1.00 0.00 H new ATOM 0 HH TYR A 21 -3.766 -13.826 88.677 1.00 0.00 H new ATOM 342 N VAL A 22 0.517 -19.774 84.055 1.00 0.00 N ATOM 343 CA VAL A 22 1.558 -20.469 83.239 1.00 0.00 C ATOM 344 C VAL A 22 1.431 -21.987 83.399 1.00 0.00 C ATOM 345 O VAL A 22 1.932 -22.743 82.591 1.00 0.00 O ATOM 346 CB VAL A 22 2.956 -20.004 83.659 1.00 0.00 C ATOM 347 CG1 VAL A 22 3.296 -20.546 85.044 1.00 0.00 C ATOM 348 CG2 VAL A 22 3.987 -20.515 82.650 1.00 0.00 C ATOM 0 H VAL A 22 0.870 -19.237 84.847 1.00 0.00 H new ATOM 0 HA VAL A 22 1.407 -20.217 82.189 1.00 0.00 H new ATOM 0 HB VAL A 22 2.974 -18.915 83.687 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.292 -20.209 85.332 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.566 -20.181 85.767 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.273 -21.636 85.024 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.982 -20.185 82.948 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.959 -21.604 82.622 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.755 -20.120 81.661 1.00 0.00 H new ATOM 358 N ALA A 23 0.752 -22.448 84.417 1.00 0.00 N ATOM 359 CA ALA A 23 0.599 -23.918 84.578 1.00 0.00 C ATOM 360 C ALA A 23 -0.041 -24.458 83.302 1.00 0.00 C ATOM 361 O ALA A 23 0.145 -25.599 82.931 1.00 0.00 O ATOM 362 CB ALA A 23 -0.308 -24.228 85.775 1.00 0.00 C ATOM 0 H ALA A 23 0.304 -21.877 85.133 1.00 0.00 H new ATOM 0 HA ALA A 23 1.570 -24.381 84.753 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.412 -25.308 85.882 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.132 -23.814 86.682 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.290 -23.783 85.612 1.00 0.00 H new ATOM 368 N LYS A 24 -0.787 -23.630 82.621 1.00 0.00 N ATOM 369 CA LYS A 24 -1.436 -24.069 81.358 1.00 0.00 C ATOM 370 C LYS A 24 -0.373 -24.566 80.377 1.00 0.00 C ATOM 371 O LYS A 24 -0.162 -25.754 80.236 1.00 0.00 O ATOM 372 CB LYS A 24 -2.188 -22.887 80.739 1.00 0.00 C ATOM 373 CG LYS A 24 -3.606 -22.817 81.313 1.00 0.00 C ATOM 374 CD LYS A 24 -3.545 -22.772 82.842 1.00 0.00 C ATOM 375 CE LYS A 24 -4.920 -22.388 83.397 1.00 0.00 C ATOM 376 NZ LYS A 24 -5.974 -23.148 82.671 1.00 0.00 N ATOM 0 H LYS A 24 -0.974 -22.664 82.889 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.134 -24.878 81.571 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -1.656 -21.958 80.945 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.229 -22.998 79.655 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.118 -21.933 80.934 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.183 -23.683 80.988 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.241 -23.743 83.233 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.796 -22.050 83.166 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.968 -22.606 84.464 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.085 -21.317 83.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.817 -23.235 83.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.225 -22.645 81.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.618 -24.096 82.435 1.00 0.00 H new ATOM 390 N GLY A 25 0.301 -23.676 79.692 1.00 0.00 N ATOM 391 CA GLY A 25 1.337 -24.133 78.721 1.00 0.00 C ATOM 392 C GLY A 25 2.359 -23.030 78.422 1.00 0.00 C ATOM 393 O GLY A 25 2.297 -22.370 77.405 1.00 0.00 O ATOM 0 H GLY A 25 0.180 -22.666 79.763 1.00 0.00 H new ATOM 0 HA2 GLY A 25 1.851 -25.007 79.122 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.855 -24.444 77.794 1.00 0.00 H new ATOM 397 N GLU A 26 3.311 -22.861 79.295 1.00 0.00 N ATOM 398 CA GLU A 26 4.392 -21.841 79.098 1.00 0.00 C ATOM 399 C GLU A 26 3.895 -20.609 78.328 1.00 0.00 C ATOM 400 O GLU A 26 3.745 -20.632 77.123 1.00 0.00 O ATOM 401 CB GLU A 26 5.572 -22.471 78.348 1.00 0.00 C ATOM 402 CG GLU A 26 5.061 -23.418 77.260 1.00 0.00 C ATOM 403 CD GLU A 26 6.250 -23.955 76.461 1.00 0.00 C ATOM 404 OE1 GLU A 26 6.990 -24.756 77.006 1.00 0.00 O ATOM 405 OE2 GLU A 26 6.402 -23.554 75.318 1.00 0.00 O ATOM 0 H GLU A 26 3.392 -23.397 80.159 1.00 0.00 H new ATOM 0 HA GLU A 26 4.709 -21.509 80.087 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.187 -21.690 77.901 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.207 -23.016 79.046 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.508 -24.242 77.709 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.371 -22.893 76.599 1.00 0.00 H new ATOM 412 N ASP A 27 3.686 -19.524 79.020 1.00 0.00 N ATOM 413 CA ASP A 27 3.244 -18.265 78.351 1.00 0.00 C ATOM 414 C ASP A 27 3.816 -17.084 79.138 1.00 0.00 C ATOM 415 O ASP A 27 3.156 -16.088 79.359 1.00 0.00 O ATOM 416 CB ASP A 27 1.715 -18.189 78.335 1.00 0.00 C ATOM 417 CG ASP A 27 1.167 -19.220 77.347 1.00 0.00 C ATOM 418 OD1 ASP A 27 1.550 -19.164 76.189 1.00 0.00 O ATOM 419 OD2 ASP A 27 0.377 -20.049 77.765 1.00 0.00 O ATOM 0 H ASP A 27 3.803 -19.454 80.031 1.00 0.00 H new ATOM 0 HA ASP A 27 3.600 -18.241 77.321 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.320 -18.379 79.333 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.392 -17.188 78.050 1.00 0.00 H new ATOM 424 N VAL A 28 5.040 -17.202 79.580 1.00 0.00 N ATOM 425 CA VAL A 28 5.665 -16.107 80.375 1.00 0.00 C ATOM 426 C VAL A 28 6.383 -15.126 79.450 1.00 0.00 C ATOM 427 O VAL A 28 7.594 -15.068 79.401 1.00 0.00 O ATOM 428 CB VAL A 28 6.664 -16.713 81.361 1.00 0.00 C ATOM 429 CG1 VAL A 28 5.898 -17.490 82.433 1.00 0.00 C ATOM 430 CG2 VAL A 28 7.608 -17.664 80.614 1.00 0.00 C ATOM 0 H VAL A 28 5.636 -18.015 79.423 1.00 0.00 H new ATOM 0 HA VAL A 28 4.889 -15.568 80.919 1.00 0.00 H new ATOM 0 HB VAL A 28 7.248 -15.920 81.828 1.00 0.00 H new ATOM 0 HG11 VAL A 28 6.604 -17.926 83.141 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.225 -16.814 82.961 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.319 -18.285 81.962 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.320 -18.096 81.317 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.028 -18.461 80.149 1.00 0.00 H new ATOM 0 HG23 VAL A 28 8.147 -17.111 79.845 1.00 0.00 H new ATOM 440 N ASN A 29 5.639 -14.346 78.725 1.00 0.00 N ATOM 441 CA ASN A 29 6.250 -13.360 77.812 1.00 0.00 C ATOM 442 C ASN A 29 5.127 -12.545 77.171 1.00 0.00 C ATOM 443 O ASN A 29 5.181 -12.185 76.012 1.00 0.00 O ATOM 444 CB ASN A 29 7.053 -14.091 76.738 1.00 0.00 C ATOM 445 CG ASN A 29 6.320 -15.367 76.325 1.00 0.00 C ATOM 446 OD1 ASN A 29 6.390 -16.424 77.085 1.00 0.00 O flip ATOM 447 ND2 ASN A 29 5.675 -15.402 75.295 1.00 0.00 N flip ATOM 0 H ASN A 29 4.619 -14.353 78.729 1.00 0.00 H new ATOM 0 HA ASN A 29 6.923 -12.697 78.357 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.193 -13.444 75.872 1.00 0.00 H new ATOM 0 HB3 ASN A 29 8.045 -14.337 77.116 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.620 -14.576 74.700 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.189 -16.258 75.026 1.00 0.00 H new ATOM 454 N ARG A 30 4.101 -12.260 77.931 1.00 0.00 N ATOM 455 CA ARG A 30 2.953 -11.476 77.401 1.00 0.00 C ATOM 456 C ARG A 30 2.974 -10.074 78.012 1.00 0.00 C ATOM 457 O ARG A 30 3.180 -9.910 79.198 1.00 0.00 O ATOM 458 CB ARG A 30 1.647 -12.180 77.784 1.00 0.00 C ATOM 459 CG ARG A 30 1.629 -13.589 77.182 1.00 0.00 C ATOM 460 CD ARG A 30 0.188 -14.083 77.056 1.00 0.00 C ATOM 461 NE ARG A 30 -0.550 -13.861 78.344 1.00 0.00 N ATOM 462 CZ ARG A 30 -0.128 -14.365 79.473 1.00 0.00 C ATOM 463 NH1 ARG A 30 0.890 -15.183 79.496 1.00 0.00 N ATOM 464 NH2 ARG A 30 -0.756 -14.080 80.582 1.00 0.00 N ATOM 0 H ARG A 30 4.012 -12.542 78.907 1.00 0.00 H new ATOM 0 HA ARG A 30 3.025 -11.401 76.316 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.556 -12.236 78.869 1.00 0.00 H new ATOM 0 HB3 ARG A 30 0.793 -11.607 77.422 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.107 -13.581 76.202 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.202 -14.270 77.811 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -0.315 -13.557 76.245 1.00 0.00 H new ATOM 0 HD3 ARG A 30 0.180 -15.143 76.802 1.00 0.00 H new ATOM 0 HE ARG A 30 -1.403 -13.302 78.338 1.00 0.00 H new ATOM 0 HH11 ARG A 30 1.363 -15.433 78.628 1.00 0.00 H new ATOM 0 HH12 ARG A 30 1.212 -15.571 80.382 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -1.571 -13.467 80.563 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -0.431 -14.470 81.467 1.00 0.00 H new ATOM 478 N THR A 31 2.756 -9.061 77.222 1.00 0.00 N ATOM 479 CA THR A 31 2.757 -7.682 77.784 1.00 0.00 C ATOM 480 C THR A 31 1.711 -7.607 78.894 1.00 0.00 C ATOM 481 O THR A 31 0.575 -8.005 78.724 1.00 0.00 O ATOM 482 CB THR A 31 2.440 -6.661 76.687 1.00 0.00 C ATOM 483 OG1 THR A 31 3.016 -7.094 75.463 1.00 0.00 O ATOM 484 CG2 THR A 31 3.028 -5.302 77.074 1.00 0.00 C ATOM 0 H THR A 31 2.579 -9.126 76.220 1.00 0.00 H new ATOM 0 HA THR A 31 3.742 -7.450 78.189 1.00 0.00 H new ATOM 0 HB THR A 31 1.360 -6.571 76.571 1.00 0.00 H new ATOM 0 HG1 THR A 31 2.814 -6.444 74.758 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.804 -4.573 76.295 1.00 0.00 H new ATOM 0 HG22 THR A 31 2.591 -4.972 78.016 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.108 -5.392 77.187 1.00 0.00 H new ATOM 492 N LEU A 32 2.099 -7.127 80.038 1.00 0.00 N ATOM 493 CA LEU A 32 1.154 -7.052 81.182 1.00 0.00 C ATOM 494 C LEU A 32 0.166 -5.882 81.007 1.00 0.00 C ATOM 495 O LEU A 32 -0.441 -5.726 79.968 1.00 0.00 O ATOM 496 CB LEU A 32 1.974 -6.901 82.476 1.00 0.00 C ATOM 497 CG LEU A 32 1.382 -7.790 83.579 1.00 0.00 C ATOM 498 CD1 LEU A 32 2.339 -7.848 84.775 1.00 0.00 C ATOM 499 CD2 LEU A 32 0.042 -7.210 84.031 1.00 0.00 C ATOM 0 H LEU A 32 3.039 -6.780 80.232 1.00 0.00 H new ATOM 0 HA LEU A 32 0.558 -7.963 81.230 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.012 -7.177 82.293 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.973 -5.859 82.797 1.00 0.00 H new ATOM 0 HG LEU A 32 1.236 -8.797 83.188 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.911 -8.481 85.553 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.296 -8.262 84.456 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.492 -6.843 85.168 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.381 -7.839 84.814 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.194 -6.202 84.417 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.643 -7.175 83.184 1.00 0.00 H new ATOM 511 N GLU A 33 -0.026 -5.088 82.031 1.00 0.00 N ATOM 512 CA GLU A 33 -1.005 -3.954 81.961 1.00 0.00 C ATOM 513 C GLU A 33 -0.994 -3.248 80.594 1.00 0.00 C ATOM 514 O GLU A 33 -2.032 -2.844 80.106 1.00 0.00 O ATOM 515 CB GLU A 33 -0.681 -2.935 83.057 1.00 0.00 C ATOM 516 CG GLU A 33 0.693 -2.311 82.797 1.00 0.00 C ATOM 517 CD GLU A 33 0.561 -1.168 81.786 1.00 0.00 C ATOM 518 OE1 GLU A 33 -0.457 -0.495 81.809 1.00 0.00 O ATOM 519 OE2 GLU A 33 1.481 -0.985 81.007 1.00 0.00 O ATOM 0 H GLU A 33 0.459 -5.177 82.924 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.000 -4.375 82.105 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.445 -2.158 83.081 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.691 -3.421 84.032 1.00 0.00 H new ATOM 0 HG2 GLU A 33 1.115 -1.937 83.730 1.00 0.00 H new ATOM 0 HG3 GLU A 33 1.380 -3.067 82.417 1.00 0.00 H new ATOM 526 N GLY A 34 0.139 -3.068 79.971 1.00 0.00 N ATOM 527 CA GLY A 34 0.127 -2.363 78.653 1.00 0.00 C ATOM 528 C GLY A 34 1.499 -2.420 77.989 1.00 0.00 C ATOM 529 O GLY A 34 1.621 -2.750 76.828 1.00 0.00 O ATOM 0 H GLY A 34 1.054 -3.370 80.306 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.616 -2.819 77.999 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.169 -1.324 78.795 1.00 0.00 H new ATOM 533 N GLY A 35 2.529 -2.087 78.706 1.00 0.00 N ATOM 534 CA GLY A 35 3.897 -2.110 78.106 1.00 0.00 C ATOM 535 C GLY A 35 4.866 -2.789 79.068 1.00 0.00 C ATOM 536 O GLY A 35 6.066 -2.669 78.935 1.00 0.00 O ATOM 0 H GLY A 35 2.489 -1.799 79.684 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.879 -2.643 77.155 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.230 -1.094 77.896 1.00 0.00 H new ATOM 540 N ARG A 36 4.358 -3.499 80.041 1.00 0.00 N ATOM 541 CA ARG A 36 5.263 -4.180 81.017 1.00 0.00 C ATOM 542 C ARG A 36 5.148 -5.705 80.872 1.00 0.00 C ATOM 543 O ARG A 36 4.426 -6.207 80.036 1.00 0.00 O ATOM 544 CB ARG A 36 4.877 -3.755 82.436 1.00 0.00 C ATOM 545 CG ARG A 36 4.627 -2.242 82.455 1.00 0.00 C ATOM 546 CD ARG A 36 4.835 -1.691 83.868 1.00 0.00 C ATOM 547 NE ARG A 36 4.718 -0.204 83.839 1.00 0.00 N ATOM 548 CZ ARG A 36 4.566 0.464 84.950 1.00 0.00 C ATOM 549 NH1 ARG A 36 4.517 -0.168 86.090 1.00 0.00 N ATOM 550 NH2 ARG A 36 4.460 1.766 84.921 1.00 0.00 N ATOM 0 H ARG A 36 3.360 -3.637 80.203 1.00 0.00 H new ATOM 0 HA ARG A 36 6.295 -3.893 80.818 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.983 -4.288 82.758 1.00 0.00 H new ATOM 0 HB3 ARG A 36 5.672 -4.014 83.136 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.304 -1.745 81.760 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.612 -2.029 82.119 1.00 0.00 H new ATOM 0 HD2 ARG A 36 4.094 -2.112 84.548 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.816 -1.983 84.244 1.00 0.00 H new ATOM 0 HE ARG A 36 4.757 0.292 82.949 1.00 0.00 H new ATOM 0 HH11 ARG A 36 4.597 -1.185 86.113 1.00 0.00 H new ATOM 0 HH12 ARG A 36 4.398 0.354 86.958 1.00 0.00 H new ATOM 0 HH21 ARG A 36 4.496 2.261 84.030 1.00 0.00 H new ATOM 0 HH22 ARG A 36 4.341 2.287 85.790 1.00 0.00 H new ATOM 564 N LYS A 37 5.870 -6.440 81.677 1.00 0.00 N ATOM 565 CA LYS A 37 5.829 -7.933 81.600 1.00 0.00 C ATOM 566 C LYS A 37 5.642 -8.496 83.023 1.00 0.00 C ATOM 567 O LYS A 37 5.824 -7.779 83.986 1.00 0.00 O ATOM 568 CB LYS A 37 7.152 -8.441 81.005 1.00 0.00 C ATOM 569 CG LYS A 37 8.185 -7.301 80.985 1.00 0.00 C ATOM 570 CD LYS A 37 8.584 -6.931 82.422 1.00 0.00 C ATOM 571 CE LYS A 37 9.199 -5.526 82.454 1.00 0.00 C ATOM 572 NZ LYS A 37 9.915 -5.256 81.175 1.00 0.00 N ATOM 0 H LYS A 37 6.493 -6.066 82.393 1.00 0.00 H new ATOM 0 HA LYS A 37 5.003 -8.259 80.968 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.530 -9.276 81.595 1.00 0.00 H new ATOM 0 HB3 LYS A 37 6.988 -8.813 79.994 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.066 -7.607 80.421 1.00 0.00 H new ATOM 0 HG3 LYS A 37 7.769 -6.430 80.478 1.00 0.00 H new ATOM 0 HD2 LYS A 37 7.709 -6.968 83.071 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.299 -7.658 82.808 1.00 0.00 H new ATOM 0 HE2 LYS A 37 8.418 -4.781 82.608 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.890 -5.441 83.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.572 -4.460 81.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.449 -6.102 80.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.225 -5.017 80.435 1.00 0.00 H new ATOM 586 N PRO A 38 5.274 -9.754 83.123 1.00 0.00 N ATOM 587 CA PRO A 38 5.048 -10.403 84.441 1.00 0.00 C ATOM 588 C PRO A 38 6.350 -10.519 85.273 1.00 0.00 C ATOM 589 O PRO A 38 6.512 -11.449 86.036 1.00 0.00 O ATOM 590 CB PRO A 38 4.517 -11.804 84.088 1.00 0.00 C ATOM 591 CG PRO A 38 4.734 -12.012 82.566 1.00 0.00 C ATOM 592 CD PRO A 38 5.043 -10.635 81.954 1.00 0.00 C ATOM 0 HA PRO A 38 4.361 -9.821 85.055 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.043 -12.569 84.659 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.460 -11.889 84.340 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.556 -12.705 82.387 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.845 -12.446 82.107 1.00 0.00 H new ATOM 0 HD2 PRO A 38 5.920 -10.675 81.308 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.214 -10.276 81.344 1.00 0.00 H new ATOM 600 N LEU A 39 7.272 -9.595 85.141 1.00 0.00 N ATOM 601 CA LEU A 39 8.547 -9.677 85.938 1.00 0.00 C ATOM 602 C LEU A 39 8.796 -8.340 86.649 1.00 0.00 C ATOM 603 O LEU A 39 9.532 -8.266 87.609 1.00 0.00 O ATOM 604 CB LEU A 39 9.728 -9.981 84.988 1.00 0.00 C ATOM 605 CG LEU A 39 11.021 -10.439 85.730 1.00 0.00 C ATOM 606 CD1 LEU A 39 10.737 -11.039 87.112 1.00 0.00 C ATOM 607 CD2 LEU A 39 11.725 -11.500 84.871 1.00 0.00 C ATOM 0 H LEU A 39 7.201 -8.789 84.520 1.00 0.00 H new ATOM 0 HA LEU A 39 8.460 -10.471 86.679 1.00 0.00 H new ATOM 0 HB2 LEU A 39 9.428 -10.758 84.285 1.00 0.00 H new ATOM 0 HB3 LEU A 39 9.951 -9.090 84.402 1.00 0.00 H new ATOM 0 HG LEU A 39 11.643 -9.557 85.880 1.00 0.00 H new ATOM 0 HD11 LEU A 39 11.675 -11.339 87.578 1.00 0.00 H new ATOM 0 HD12 LEU A 39 10.243 -10.295 87.737 1.00 0.00 H new ATOM 0 HD13 LEU A 39 10.091 -11.910 87.005 1.00 0.00 H new ATOM 0 HD21 LEU A 39 12.633 -11.832 85.375 1.00 0.00 H new ATOM 0 HD22 LEU A 39 11.059 -12.350 84.725 1.00 0.00 H new ATOM 0 HD23 LEU A 39 11.984 -11.071 83.903 1.00 0.00 H new ATOM 619 N HIS A 40 8.191 -7.284 86.183 1.00 0.00 N ATOM 620 CA HIS A 40 8.404 -5.957 86.833 1.00 0.00 C ATOM 621 C HIS A 40 7.690 -5.934 88.186 1.00 0.00 C ATOM 622 O HIS A 40 8.250 -5.527 89.183 1.00 0.00 O ATOM 623 CB HIS A 40 7.832 -4.852 85.940 1.00 0.00 C ATOM 624 CG HIS A 40 7.937 -3.532 86.653 1.00 0.00 C ATOM 625 ND1 HIS A 40 6.882 -3.000 87.377 1.00 0.00 N ATOM 626 CD2 HIS A 40 8.965 -2.629 86.769 1.00 0.00 C ATOM 627 CE1 HIS A 40 7.295 -1.829 87.895 1.00 0.00 C ATOM 628 NE2 HIS A 40 8.558 -1.554 87.554 1.00 0.00 N ATOM 0 H HIS A 40 7.559 -7.280 85.382 1.00 0.00 H new ATOM 0 HA HIS A 40 9.471 -5.792 86.979 1.00 0.00 H new ATOM 0 HB2 HIS A 40 8.376 -4.813 84.996 1.00 0.00 H new ATOM 0 HB3 HIS A 40 6.791 -5.066 85.699 1.00 0.00 H new ATOM 0 HD2 HIS A 40 9.941 -2.737 86.319 1.00 0.00 H new ATOM 0 HE1 HIS A 40 6.681 -1.189 88.511 1.00 0.00 H new ATOM 0 HE2 HIS A 40 9.105 -0.733 87.813 1.00 0.00 H new ATOM 636 N TYR A 41 6.464 -6.376 88.233 1.00 0.00 N ATOM 637 CA TYR A 41 5.725 -6.387 89.528 1.00 0.00 C ATOM 638 C TYR A 41 6.338 -7.447 90.435 1.00 0.00 C ATOM 639 O TYR A 41 6.490 -7.256 91.626 1.00 0.00 O ATOM 640 CB TYR A 41 4.262 -6.725 89.278 1.00 0.00 C ATOM 641 CG TYR A 41 3.712 -5.781 88.243 1.00 0.00 C ATOM 642 CD1 TYR A 41 4.004 -5.977 86.887 1.00 0.00 C ATOM 643 CD2 TYR A 41 2.917 -4.702 88.638 1.00 0.00 C ATOM 644 CE1 TYR A 41 3.499 -5.093 85.929 1.00 0.00 C ATOM 645 CE2 TYR A 41 2.411 -3.821 87.679 1.00 0.00 C ATOM 646 CZ TYR A 41 2.702 -4.016 86.325 1.00 0.00 C ATOM 647 OH TYR A 41 2.199 -3.148 85.380 1.00 0.00 O ATOM 0 H TYR A 41 5.942 -6.730 87.432 1.00 0.00 H new ATOM 0 HA TYR A 41 5.793 -5.407 89.999 1.00 0.00 H new ATOM 0 HB2 TYR A 41 4.167 -7.756 88.936 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.693 -6.642 90.204 1.00 0.00 H new ATOM 0 HD1 TYR A 41 4.619 -6.811 86.582 1.00 0.00 H new ATOM 0 HD2 TYR A 41 2.694 -4.549 89.684 1.00 0.00 H new ATOM 0 HE1 TYR A 41 3.725 -5.242 84.883 1.00 0.00 H new ATOM 0 HE2 TYR A 41 1.794 -2.988 87.984 1.00 0.00 H new ATOM 0 HH TYR A 41 1.665 -2.456 85.823 1.00 0.00 H new ATOM 657 N ALA A 42 6.714 -8.559 89.874 1.00 0.00 N ATOM 658 CA ALA A 42 7.341 -9.621 90.694 1.00 0.00 C ATOM 659 C ALA A 42 8.657 -9.069 91.218 1.00 0.00 C ATOM 660 O ALA A 42 8.896 -9.002 92.399 1.00 0.00 O ATOM 661 CB ALA A 42 7.626 -10.837 89.813 1.00 0.00 C ATOM 0 H ALA A 42 6.613 -8.776 88.882 1.00 0.00 H new ATOM 0 HA ALA A 42 6.686 -9.918 91.513 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.088 -11.621 90.413 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.692 -11.207 89.390 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.302 -10.552 89.007 1.00 0.00 H new ATOM 667 N ALA A 43 9.503 -8.659 90.328 1.00 0.00 N ATOM 668 CA ALA A 43 10.809 -8.089 90.732 1.00 0.00 C ATOM 669 C ALA A 43 10.586 -7.006 91.797 1.00 0.00 C ATOM 670 O ALA A 43 11.059 -7.104 92.909 1.00 0.00 O ATOM 671 CB ALA A 43 11.448 -7.452 89.498 1.00 0.00 C ATOM 0 H ALA A 43 9.344 -8.695 89.321 1.00 0.00 H new ATOM 0 HA ALA A 43 11.453 -8.868 91.140 1.00 0.00 H new ATOM 0 HB1 ALA A 43 12.413 -7.024 89.768 1.00 0.00 H new ATOM 0 HB2 ALA A 43 11.590 -8.211 88.729 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.797 -6.666 89.116 1.00 0.00 H new ATOM 677 N ASP A 44 9.874 -5.970 91.446 1.00 0.00 N ATOM 678 CA ASP A 44 9.619 -4.847 92.400 1.00 0.00 C ATOM 679 C ASP A 44 9.018 -5.339 93.725 1.00 0.00 C ATOM 680 O ASP A 44 9.357 -4.843 94.782 1.00 0.00 O ATOM 681 CB ASP A 44 8.651 -3.857 91.754 1.00 0.00 C ATOM 682 CG ASP A 44 9.396 -3.027 90.708 1.00 0.00 C ATOM 683 OD1 ASP A 44 9.948 -2.004 91.076 1.00 0.00 O ATOM 684 OD2 ASP A 44 9.403 -3.431 89.556 1.00 0.00 O ATOM 0 H ASP A 44 9.451 -5.850 90.526 1.00 0.00 H new ATOM 0 HA ASP A 44 10.575 -4.373 92.622 1.00 0.00 H new ATOM 0 HB2 ASP A 44 7.824 -4.392 91.288 1.00 0.00 H new ATOM 0 HB3 ASP A 44 8.221 -3.204 92.513 1.00 0.00 H new ATOM 689 N CYS A 45 8.121 -6.285 93.688 1.00 0.00 N ATOM 690 CA CYS A 45 7.494 -6.766 94.957 1.00 0.00 C ATOM 691 C CYS A 45 6.944 -8.171 94.744 1.00 0.00 C ATOM 692 O CYS A 45 5.753 -8.402 94.810 1.00 0.00 O ATOM 693 CB CYS A 45 6.332 -5.843 95.337 1.00 0.00 C ATOM 694 SG CYS A 45 6.877 -4.117 95.306 1.00 0.00 S ATOM 0 H CYS A 45 7.794 -6.746 92.839 1.00 0.00 H new ATOM 0 HA CYS A 45 8.243 -6.768 95.749 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.503 -5.984 94.643 1.00 0.00 H new ATOM 0 HB3 CYS A 45 5.963 -6.099 96.330 1.00 0.00 H new ATOM 0 HG CYS A 45 8.175 -4.071 95.355 1.00 0.00 H new ATOM 700 N GLY A 46 7.804 -9.110 94.483 1.00 0.00 N ATOM 701 CA GLY A 46 7.336 -10.509 94.257 1.00 0.00 C ATOM 702 C GLY A 46 7.809 -11.402 95.402 1.00 0.00 C ATOM 703 O GLY A 46 8.069 -12.573 95.214 1.00 0.00 O ATOM 0 H GLY A 46 8.813 -8.973 94.415 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.248 -10.532 94.190 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.722 -10.883 93.308 1.00 0.00 H new ATOM 707 N GLN A 47 7.952 -10.860 96.583 1.00 0.00 N ATOM 708 CA GLN A 47 8.443 -11.694 97.713 1.00 0.00 C ATOM 709 C GLN A 47 9.741 -12.355 97.249 1.00 0.00 C ATOM 710 O GLN A 47 10.254 -13.282 97.847 1.00 0.00 O ATOM 711 CB GLN A 47 7.387 -12.739 98.086 1.00 0.00 C ATOM 712 CG GLN A 47 6.285 -12.068 98.913 1.00 0.00 C ATOM 713 CD GLN A 47 5.794 -10.803 98.202 1.00 0.00 C ATOM 714 OE1 GLN A 47 5.461 -10.863 96.942 1.00 0.00 O flip ATOM 715 NE2 GLN A 47 5.712 -9.749 98.801 1.00 0.00 N flip ATOM 0 H GLN A 47 7.752 -9.886 96.810 1.00 0.00 H new ATOM 0 HA GLN A 47 8.628 -11.092 98.603 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.963 -13.183 97.185 1.00 0.00 H new ATOM 0 HB3 GLN A 47 7.844 -13.548 98.655 1.00 0.00 H new ATOM 0 HG2 GLN A 47 5.455 -12.760 99.057 1.00 0.00 H new ATOM 0 HG3 GLN A 47 6.665 -11.815 99.903 1.00 0.00 H new ATOM 0 HE21 GLN A 47 5.972 -9.701 99.786 1.00 0.00 H new ATOM 0 HE22 GLN A 47 5.383 -8.913 98.319 1.00 0.00 H new ATOM 724 N LEU A 48 10.271 -11.836 96.174 1.00 0.00 N ATOM 725 CA LEU A 48 11.549 -12.335 95.591 1.00 0.00 C ATOM 726 C LEU A 48 11.440 -13.806 95.170 1.00 0.00 C ATOM 727 O LEU A 48 12.389 -14.395 94.694 1.00 0.00 O ATOM 728 CB LEU A 48 12.671 -12.159 96.611 1.00 0.00 C ATOM 729 CG LEU A 48 13.106 -10.676 96.736 1.00 0.00 C ATOM 730 CD1 LEU A 48 12.273 -9.742 95.853 1.00 0.00 C ATOM 731 CD2 LEU A 48 12.967 -10.220 98.190 1.00 0.00 C ATOM 0 H LEU A 48 9.855 -11.060 95.659 1.00 0.00 H new ATOM 0 HA LEU A 48 11.770 -11.754 94.695 1.00 0.00 H new ATOM 0 HB2 LEU A 48 12.339 -12.524 97.583 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.528 -12.766 96.318 1.00 0.00 H new ATOM 0 HG LEU A 48 14.143 -10.621 96.404 1.00 0.00 H new ATOM 0 HD11 LEU A 48 12.620 -8.716 95.979 1.00 0.00 H new ATOM 0 HD12 LEU A 48 12.382 -10.036 94.809 1.00 0.00 H new ATOM 0 HD13 LEU A 48 11.224 -9.808 96.141 1.00 0.00 H new ATOM 0 HD21 LEU A 48 13.273 -9.177 98.275 1.00 0.00 H new ATOM 0 HD22 LEU A 48 11.928 -10.320 98.505 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.600 -10.837 98.827 1.00 0.00 H new ATOM 743 N GLU A 49 10.290 -14.386 95.316 1.00 0.00 N ATOM 744 CA GLU A 49 10.094 -15.806 94.892 1.00 0.00 C ATOM 745 C GLU A 49 9.403 -15.806 93.532 1.00 0.00 C ATOM 746 O GLU A 49 9.684 -16.616 92.670 1.00 0.00 O ATOM 747 CB GLU A 49 9.209 -16.546 95.899 1.00 0.00 C ATOM 748 CG GLU A 49 8.119 -15.599 96.393 1.00 0.00 C ATOM 749 CD GLU A 49 7.172 -16.346 97.331 1.00 0.00 C ATOM 750 OE1 GLU A 49 7.663 -17.027 98.216 1.00 0.00 O ATOM 751 OE2 GLU A 49 5.972 -16.223 97.150 1.00 0.00 O ATOM 0 H GLU A 49 9.464 -13.939 95.714 1.00 0.00 H new ATOM 0 HA GLU A 49 11.060 -16.307 94.839 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.762 -17.424 95.433 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.808 -16.900 96.738 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.568 -14.752 96.913 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.564 -15.195 95.546 1.00 0.00 H new ATOM 758 N ILE A 50 8.478 -14.904 93.355 1.00 0.00 N ATOM 759 CA ILE A 50 7.733 -14.834 92.074 1.00 0.00 C ATOM 760 C ILE A 50 8.681 -14.515 90.919 1.00 0.00 C ATOM 761 O ILE A 50 8.670 -15.183 89.912 1.00 0.00 O ATOM 762 CB ILE A 50 6.651 -13.751 92.153 1.00 0.00 C ATOM 763 CG1 ILE A 50 5.760 -14.000 93.398 1.00 0.00 C ATOM 764 CG2 ILE A 50 5.838 -13.774 90.851 1.00 0.00 C ATOM 765 CD1 ILE A 50 4.269 -13.879 93.070 1.00 0.00 C ATOM 0 H ILE A 50 8.207 -14.209 94.050 1.00 0.00 H new ATOM 0 HA ILE A 50 7.268 -15.803 91.896 1.00 0.00 H new ATOM 0 HB ILE A 50 7.097 -12.762 92.262 1.00 0.00 H new ATOM 0 HG12 ILE A 50 5.964 -14.994 93.797 1.00 0.00 H new ATOM 0 HG13 ILE A 50 6.019 -13.284 94.178 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.063 -13.008 90.892 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.498 -13.577 90.006 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.374 -14.753 90.729 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.682 -14.061 93.971 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.059 -12.877 92.696 1.00 0.00 H new ATOM 0 HD13 ILE A 50 4.003 -14.613 92.309 1.00 0.00 H new ATOM 777 N LEU A 51 9.480 -13.493 91.027 1.00 0.00 N ATOM 778 CA LEU A 51 10.376 -13.156 89.888 1.00 0.00 C ATOM 779 C LEU A 51 11.070 -14.431 89.369 1.00 0.00 C ATOM 780 O LEU A 51 11.000 -14.742 88.200 1.00 0.00 O ATOM 781 CB LEU A 51 11.436 -12.072 90.229 1.00 0.00 C ATOM 782 CG LEU A 51 11.713 -11.885 91.736 1.00 0.00 C ATOM 783 CD1 LEU A 51 10.448 -11.487 92.504 1.00 0.00 C ATOM 784 CD2 LEU A 51 12.316 -13.162 92.318 1.00 0.00 C ATOM 0 H LEU A 51 9.552 -12.884 91.842 1.00 0.00 H new ATOM 0 HA LEU A 51 9.741 -12.730 89.111 1.00 0.00 H new ATOM 0 HB2 LEU A 51 12.371 -12.330 89.732 1.00 0.00 H new ATOM 0 HB3 LEU A 51 11.107 -11.119 89.814 1.00 0.00 H new ATOM 0 HG LEU A 51 12.427 -11.069 91.846 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.687 -11.366 93.561 1.00 0.00 H new ATOM 0 HD12 LEU A 51 10.063 -10.547 92.109 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.693 -12.265 92.390 1.00 0.00 H new ATOM 0 HD21 LEU A 51 12.508 -13.022 93.382 1.00 0.00 H new ATOM 0 HD22 LEU A 51 11.619 -13.989 92.181 1.00 0.00 H new ATOM 0 HD23 LEU A 51 13.252 -13.388 91.807 1.00 0.00 H new ATOM 796 N GLU A 52 11.737 -15.168 90.215 1.00 0.00 N ATOM 797 CA GLU A 52 12.424 -16.413 89.747 1.00 0.00 C ATOM 798 C GLU A 52 11.426 -17.383 89.097 1.00 0.00 C ATOM 799 O GLU A 52 11.767 -18.107 88.184 1.00 0.00 O ATOM 800 CB GLU A 52 13.071 -17.129 90.940 1.00 0.00 C ATOM 801 CG GLU A 52 14.263 -16.328 91.478 1.00 0.00 C ATOM 802 CD GLU A 52 15.223 -17.276 92.203 1.00 0.00 C ATOM 803 OE1 GLU A 52 16.098 -17.815 91.546 1.00 0.00 O ATOM 804 OE2 GLU A 52 15.066 -17.447 93.401 1.00 0.00 O ATOM 0 H GLU A 52 11.838 -14.965 91.209 1.00 0.00 H new ATOM 0 HA GLU A 52 13.177 -16.121 89.016 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.333 -17.266 91.731 1.00 0.00 H new ATOM 0 HB3 GLU A 52 13.402 -18.122 90.637 1.00 0.00 H new ATOM 0 HG2 GLU A 52 14.778 -15.826 90.659 1.00 0.00 H new ATOM 0 HG3 GLU A 52 13.916 -15.551 92.160 1.00 0.00 H new ATOM 811 N PHE A 53 10.217 -17.437 89.588 1.00 0.00 N ATOM 812 CA PHE A 53 9.216 -18.404 89.043 1.00 0.00 C ATOM 813 C PHE A 53 8.988 -18.230 87.538 1.00 0.00 C ATOM 814 O PHE A 53 9.510 -18.972 86.742 1.00 0.00 O ATOM 815 CB PHE A 53 7.885 -18.218 89.758 1.00 0.00 C ATOM 816 CG PHE A 53 6.844 -19.072 89.078 1.00 0.00 C ATOM 817 CD1 PHE A 53 6.965 -20.465 89.101 1.00 0.00 C ATOM 818 CD2 PHE A 53 5.768 -18.473 88.413 1.00 0.00 C ATOM 819 CE1 PHE A 53 6.007 -21.261 88.464 1.00 0.00 C ATOM 820 CE2 PHE A 53 4.810 -19.266 87.776 1.00 0.00 C ATOM 821 CZ PHE A 53 4.932 -20.662 87.801 1.00 0.00 C ATOM 0 H PHE A 53 9.876 -16.849 90.349 1.00 0.00 H new ATOM 0 HA PHE A 53 9.616 -19.404 89.211 1.00 0.00 H new ATOM 0 HB2 PHE A 53 7.978 -18.500 90.807 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.587 -17.170 89.734 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.798 -20.926 89.611 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.678 -17.397 88.392 1.00 0.00 H new ATOM 0 HE1 PHE A 53 6.098 -22.337 88.484 1.00 0.00 H new ATOM 0 HE2 PHE A 53 3.978 -18.804 87.266 1.00 0.00 H new ATOM 0 HZ PHE A 53 4.194 -21.276 87.307 1.00 0.00 H new ATOM 831 N LEU A 54 8.171 -17.300 87.138 1.00 0.00 N ATOM 832 CA LEU A 54 7.894 -17.146 85.681 1.00 0.00 C ATOM 833 C LEU A 54 9.207 -17.060 84.896 1.00 0.00 C ATOM 834 O LEU A 54 9.220 -17.044 83.680 1.00 0.00 O ATOM 835 CB LEU A 54 6.991 -15.921 85.418 1.00 0.00 C ATOM 836 CG LEU A 54 7.601 -14.572 85.877 1.00 0.00 C ATOM 837 CD1 LEU A 54 8.551 -14.743 87.060 1.00 0.00 C ATOM 838 CD2 LEU A 54 8.350 -13.909 84.715 1.00 0.00 C ATOM 0 H LEU A 54 7.685 -16.643 87.749 1.00 0.00 H new ATOM 0 HA LEU A 54 7.353 -18.026 85.333 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.775 -15.865 84.351 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.039 -16.069 85.928 1.00 0.00 H new ATOM 0 HG LEU A 54 6.775 -13.938 86.199 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.954 -13.772 87.346 1.00 0.00 H new ATOM 0 HD12 LEU A 54 8.010 -15.174 87.902 1.00 0.00 H new ATOM 0 HD13 LEU A 54 9.369 -15.406 86.777 1.00 0.00 H new ATOM 0 HD21 LEU A 54 8.774 -12.962 85.049 1.00 0.00 H new ATOM 0 HD22 LEU A 54 9.151 -14.566 84.376 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.658 -13.727 83.893 1.00 0.00 H new ATOM 850 N LEU A 55 10.314 -17.035 85.585 1.00 0.00 N ATOM 851 CA LEU A 55 11.632 -16.983 84.895 1.00 0.00 C ATOM 852 C LEU A 55 12.103 -18.418 84.598 1.00 0.00 C ATOM 853 O LEU A 55 12.728 -18.677 83.589 1.00 0.00 O ATOM 854 CB LEU A 55 12.635 -16.270 85.810 1.00 0.00 C ATOM 855 CG LEU A 55 13.689 -15.523 84.985 1.00 0.00 C ATOM 856 CD1 LEU A 55 14.532 -14.659 85.926 1.00 0.00 C ATOM 857 CD2 LEU A 55 14.597 -16.529 84.271 1.00 0.00 C ATOM 0 H LEU A 55 10.362 -17.048 86.604 1.00 0.00 H new ATOM 0 HA LEU A 55 11.551 -16.438 83.954 1.00 0.00 H new ATOM 0 HB2 LEU A 55 12.109 -15.568 86.457 1.00 0.00 H new ATOM 0 HB3 LEU A 55 13.123 -16.997 86.459 1.00 0.00 H new ATOM 0 HG LEU A 55 13.196 -14.896 84.242 1.00 0.00 H new ATOM 0 HD11 LEU A 55 15.286 -14.122 85.350 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.888 -13.943 86.437 1.00 0.00 H new ATOM 0 HD13 LEU A 55 15.023 -15.295 86.662 1.00 0.00 H new ATOM 0 HD21 LEU A 55 15.344 -15.993 83.686 1.00 0.00 H new ATOM 0 HD22 LEU A 55 15.096 -17.157 85.009 1.00 0.00 H new ATOM 0 HD23 LEU A 55 13.998 -17.154 83.609 1.00 0.00 H new ATOM 869 N LEU A 56 11.793 -19.352 85.464 1.00 0.00 N ATOM 870 CA LEU A 56 12.202 -20.770 85.226 1.00 0.00 C ATOM 871 C LEU A 56 11.652 -21.219 83.878 1.00 0.00 C ATOM 872 O LEU A 56 12.355 -21.770 83.052 1.00 0.00 O ATOM 873 CB LEU A 56 11.617 -21.691 86.305 1.00 0.00 C ATOM 874 CG LEU A 56 11.743 -21.063 87.691 1.00 0.00 C ATOM 875 CD1 LEU A 56 11.230 -22.056 88.737 1.00 0.00 C ATOM 876 CD2 LEU A 56 13.211 -20.737 87.974 1.00 0.00 C ATOM 0 H LEU A 56 11.273 -19.192 86.327 1.00 0.00 H new ATOM 0 HA LEU A 56 13.290 -20.827 85.250 1.00 0.00 H new ATOM 0 HB2 LEU A 56 10.568 -21.891 86.087 1.00 0.00 H new ATOM 0 HB3 LEU A 56 12.135 -22.650 86.289 1.00 0.00 H new ATOM 0 HG LEU A 56 11.156 -20.145 87.734 1.00 0.00 H new ATOM 0 HD11 LEU A 56 11.316 -21.615 89.730 1.00 0.00 H new ATOM 0 HD12 LEU A 56 10.185 -22.291 88.534 1.00 0.00 H new ATOM 0 HD13 LEU A 56 11.823 -22.970 88.693 1.00 0.00 H new ATOM 0 HD21 LEU A 56 13.300 -20.289 88.964 1.00 0.00 H new ATOM 0 HD22 LEU A 56 13.801 -21.653 87.936 1.00 0.00 H new ATOM 0 HD23 LEU A 56 13.579 -20.037 87.224 1.00 0.00 H new ATOM 888 N LYS A 57 10.392 -20.981 83.652 1.00 0.00 N ATOM 889 CA LYS A 57 9.783 -21.382 82.357 1.00 0.00 C ATOM 890 C LYS A 57 10.499 -20.601 81.257 1.00 0.00 C ATOM 891 O LYS A 57 11.639 -20.870 80.942 1.00 0.00 O ATOM 892 CB LYS A 57 8.287 -21.033 82.361 1.00 0.00 C ATOM 893 CG LYS A 57 7.479 -22.174 82.995 1.00 0.00 C ATOM 894 CD LYS A 57 7.558 -22.087 84.523 1.00 0.00 C ATOM 895 CE LYS A 57 6.871 -23.308 85.145 1.00 0.00 C ATOM 896 NZ LYS A 57 5.390 -23.168 85.031 1.00 0.00 N ATOM 0 H LYS A 57 9.758 -20.526 84.309 1.00 0.00 H new ATOM 0 HA LYS A 57 9.884 -22.455 82.193 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.123 -20.109 82.916 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.944 -20.858 81.341 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.439 -22.117 82.673 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.865 -23.136 82.657 1.00 0.00 H new ATOM 0 HD2 LYS A 57 8.600 -22.042 84.841 1.00 0.00 H new ATOM 0 HD3 LYS A 57 7.079 -21.172 84.870 1.00 0.00 H new ATOM 0 HE2 LYS A 57 7.199 -24.217 84.641 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.157 -23.403 86.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.985 -24.052 84.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 4.987 -22.969 85.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.164 -22.386 84.384 1.00 0.00 H new ATOM 910 N GLY A 58 9.862 -19.614 80.698 1.00 0.00 N ATOM 911 CA GLY A 58 10.539 -18.800 79.657 1.00 0.00 C ATOM 912 C GLY A 58 11.541 -17.882 80.358 1.00 0.00 C ATOM 913 O GLY A 58 12.274 -18.311 81.224 1.00 0.00 O ATOM 0 H GLY A 58 8.905 -19.337 80.916 1.00 0.00 H new ATOM 0 HA2 GLY A 58 11.048 -19.444 78.940 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.810 -18.213 79.097 1.00 0.00 H new ATOM 917 N ALA A 59 11.568 -16.622 80.026 1.00 0.00 N ATOM 918 CA ALA A 59 12.519 -15.707 80.715 1.00 0.00 C ATOM 919 C ALA A 59 12.371 -14.285 80.181 1.00 0.00 C ATOM 920 O ALA A 59 13.127 -13.841 79.343 1.00 0.00 O ATOM 921 CB ALA A 59 13.963 -16.189 80.513 1.00 0.00 C ATOM 0 H ALA A 59 10.979 -16.189 79.315 1.00 0.00 H new ATOM 0 HA ALA A 59 12.288 -15.711 81.780 1.00 0.00 H new ATOM 0 HB1 ALA A 59 14.648 -15.511 81.022 1.00 0.00 H new ATOM 0 HB2 ALA A 59 14.073 -17.192 80.925 1.00 0.00 H new ATOM 0 HB3 ALA A 59 14.195 -16.207 79.448 1.00 0.00 H new ATOM 927 N ASP A 60 11.421 -13.553 80.695 1.00 0.00 N ATOM 928 CA ASP A 60 11.247 -12.147 80.262 1.00 0.00 C ATOM 929 C ASP A 60 12.398 -11.359 80.879 1.00 0.00 C ATOM 930 O ASP A 60 12.482 -10.150 80.789 1.00 0.00 O ATOM 931 CB ASP A 60 9.912 -11.624 80.785 1.00 0.00 C ATOM 932 CG ASP A 60 9.827 -10.117 80.558 1.00 0.00 C ATOM 933 OD1 ASP A 60 10.241 -9.382 81.439 1.00 0.00 O ATOM 934 OD2 ASP A 60 9.348 -9.723 79.508 1.00 0.00 O ATOM 0 H ASP A 60 10.757 -13.874 81.399 1.00 0.00 H new ATOM 0 HA ASP A 60 11.250 -12.053 79.176 1.00 0.00 H new ATOM 0 HB2 ASP A 60 9.089 -12.125 80.276 1.00 0.00 H new ATOM 0 HB3 ASP A 60 9.813 -11.848 81.847 1.00 0.00 H new ATOM 939 N ILE A 61 13.283 -12.075 81.514 1.00 0.00 N ATOM 940 CA ILE A 61 14.461 -11.460 82.173 1.00 0.00 C ATOM 941 C ILE A 61 15.208 -10.578 81.183 1.00 0.00 C ATOM 942 O ILE A 61 15.914 -9.663 81.556 1.00 0.00 O ATOM 943 CB ILE A 61 15.384 -12.590 82.626 1.00 0.00 C ATOM 944 CG1 ILE A 61 16.438 -12.044 83.589 1.00 0.00 C ATOM 945 CG2 ILE A 61 16.070 -13.189 81.395 1.00 0.00 C ATOM 946 CD1 ILE A 61 17.579 -13.055 83.724 1.00 0.00 C ATOM 0 H ILE A 61 13.234 -13.090 81.604 1.00 0.00 H new ATOM 0 HA ILE A 61 14.142 -10.851 83.019 1.00 0.00 H new ATOM 0 HB ILE A 61 14.804 -13.358 83.138 1.00 0.00 H new ATOM 0 HG12 ILE A 61 16.823 -11.092 83.222 1.00 0.00 H new ATOM 0 HG13 ILE A 61 15.990 -11.852 84.564 1.00 0.00 H new ATOM 0 HG21 ILE A 61 16.732 -13.997 81.705 1.00 0.00 H new ATOM 0 HG22 ILE A 61 15.316 -13.580 80.712 1.00 0.00 H new ATOM 0 HG23 ILE A 61 16.651 -12.417 80.891 1.00 0.00 H new ATOM 0 HD11 ILE A 61 18.331 -12.666 84.411 1.00 0.00 H new ATOM 0 HD12 ILE A 61 17.187 -13.996 84.110 1.00 0.00 H new ATOM 0 HD13 ILE A 61 18.033 -13.224 82.747 1.00 0.00 H new ATOM 958 N ASN A 62 15.070 -10.864 79.923 1.00 0.00 N ATOM 959 CA ASN A 62 15.790 -10.072 78.894 1.00 0.00 C ATOM 960 C ASN A 62 14.842 -9.721 77.735 1.00 0.00 C ATOM 961 O ASN A 62 14.917 -8.655 77.160 1.00 0.00 O ATOM 962 CB ASN A 62 16.976 -10.902 78.378 1.00 0.00 C ATOM 963 CG ASN A 62 16.515 -12.328 78.044 1.00 0.00 C ATOM 964 OD1 ASN A 62 15.275 -12.671 78.251 1.00 0.00 O flip ATOM 965 ND2 ASN A 62 17.300 -13.140 77.596 1.00 0.00 N flip ATOM 0 H ASN A 62 14.486 -11.617 79.559 1.00 0.00 H new ATOM 0 HA ASN A 62 16.153 -9.141 79.330 1.00 0.00 H new ATOM 0 HB2 ASN A 62 17.401 -10.432 77.491 1.00 0.00 H new ATOM 0 HB3 ASN A 62 17.764 -10.933 79.131 1.00 0.00 H new ATOM 0 HD21 ASN A 62 18.271 -12.874 77.433 1.00 0.00 H new ATOM 0 HD22 ASN A 62 16.988 -14.087 77.383 1.00 0.00 H new ATOM 972 N ALA A 63 13.945 -10.608 77.411 1.00 0.00 N ATOM 973 CA ALA A 63 12.965 -10.371 76.292 1.00 0.00 C ATOM 974 C ALA A 63 12.732 -8.872 75.968 1.00 0.00 C ATOM 975 O ALA A 63 12.871 -8.480 74.820 1.00 0.00 O ATOM 976 CB ALA A 63 11.636 -11.027 76.644 1.00 0.00 C ATOM 0 H ALA A 63 13.840 -11.508 77.879 1.00 0.00 H new ATOM 0 HA ALA A 63 13.401 -10.814 75.396 1.00 0.00 H new ATOM 0 HB1 ALA A 63 10.922 -10.859 75.837 1.00 0.00 H new ATOM 0 HB2 ALA A 63 11.784 -12.098 76.780 1.00 0.00 H new ATOM 0 HB3 ALA A 63 11.250 -10.594 77.567 1.00 0.00 H new ATOM 982 N PRO A 64 12.391 -8.070 76.954 1.00 0.00 N ATOM 983 CA PRO A 64 12.136 -6.631 76.788 1.00 0.00 C ATOM 984 C PRO A 64 12.648 -6.046 75.468 1.00 0.00 C ATOM 985 O PRO A 64 13.749 -6.301 75.025 1.00 0.00 O ATOM 986 CB PRO A 64 12.829 -6.063 78.025 1.00 0.00 C ATOM 987 CG PRO A 64 12.786 -7.212 79.086 1.00 0.00 C ATOM 988 CD PRO A 64 12.251 -8.463 78.355 1.00 0.00 C ATOM 0 HA PRO A 64 11.077 -6.383 76.721 1.00 0.00 H new ATOM 0 HB2 PRO A 64 13.855 -5.772 77.802 1.00 0.00 H new ATOM 0 HB3 PRO A 64 12.317 -5.172 78.389 1.00 0.00 H new ATOM 0 HG2 PRO A 64 13.778 -7.398 79.497 1.00 0.00 H new ATOM 0 HG3 PRO A 64 12.139 -6.945 79.922 1.00 0.00 H new ATOM 0 HD2 PRO A 64 12.832 -9.354 78.590 1.00 0.00 H new ATOM 0 HD3 PRO A 64 11.216 -8.679 78.618 1.00 0.00 H new ATOM 996 N ASP A 65 11.802 -5.251 74.857 1.00 0.00 N ATOM 997 CA ASP A 65 12.117 -4.590 73.557 1.00 0.00 C ATOM 998 C ASP A 65 11.587 -3.152 73.602 1.00 0.00 C ATOM 999 O ASP A 65 12.297 -2.203 73.341 1.00 0.00 O ATOM 1000 CB ASP A 65 11.405 -5.343 72.431 1.00 0.00 C ATOM 1001 CG ASP A 65 12.088 -6.689 72.194 1.00 0.00 C ATOM 1002 OD1 ASP A 65 11.773 -7.626 72.909 1.00 0.00 O ATOM 1003 OD2 ASP A 65 12.914 -6.761 71.300 1.00 0.00 O ATOM 0 H ASP A 65 10.876 -5.028 75.222 1.00 0.00 H new ATOM 0 HA ASP A 65 13.193 -4.593 73.383 1.00 0.00 H new ATOM 0 HB2 ASP A 65 10.358 -5.497 72.690 1.00 0.00 H new ATOM 0 HB3 ASP A 65 11.423 -4.750 71.517 1.00 0.00 H new ATOM 1008 N LYS A 66 10.330 -2.997 73.936 1.00 0.00 N ATOM 1009 CA LYS A 66 9.717 -1.650 74.011 1.00 0.00 C ATOM 1010 C LYS A 66 9.979 -1.056 75.396 1.00 0.00 C ATOM 1011 O LYS A 66 9.917 0.141 75.596 1.00 0.00 O ATOM 1012 CB LYS A 66 8.220 -1.800 73.785 1.00 0.00 C ATOM 1013 CG LYS A 66 7.613 -0.442 73.463 1.00 0.00 C ATOM 1014 CD LYS A 66 7.997 -0.008 72.043 1.00 0.00 C ATOM 1015 CE LYS A 66 6.911 0.913 71.481 1.00 0.00 C ATOM 1016 NZ LYS A 66 6.366 1.768 72.575 1.00 0.00 N ATOM 0 H LYS A 66 9.698 -3.765 74.162 1.00 0.00 H new ATOM 0 HA LYS A 66 10.143 -0.989 73.257 1.00 0.00 H new ATOM 0 HB2 LYS A 66 8.034 -2.496 72.967 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.748 -2.219 74.674 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.528 -0.491 73.554 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.961 0.299 74.183 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.957 0.509 72.056 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.115 -0.882 71.403 1.00 0.00 H new ATOM 0 HE2 LYS A 66 7.324 1.538 70.689 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.112 0.320 71.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.018 2.663 72.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.583 1.272 73.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.116 1.966 73.267 1.00 0.00 H new ATOM 1030 N HIS A 67 10.286 -1.892 76.348 1.00 0.00 N ATOM 1031 CA HIS A 67 10.573 -1.406 77.722 1.00 0.00 C ATOM 1032 C HIS A 67 11.997 -0.862 77.752 1.00 0.00 C ATOM 1033 O HIS A 67 12.444 -0.312 78.740 1.00 0.00 O ATOM 1034 CB HIS A 67 10.447 -2.580 78.694 1.00 0.00 C ATOM 1035 CG HIS A 67 9.371 -3.519 78.217 1.00 0.00 C ATOM 1036 ND1 HIS A 67 9.254 -4.886 78.276 1.00 0.00 N flip ATOM 1037 CD2 HIS A 67 8.224 -3.069 77.581 1.00 0.00 C flip ATOM 1038 CE1 HIS A 67 8.055 -5.279 77.687 1.00 0.00 C flip ATOM 1039 NE2 HIS A 67 7.474 -4.147 77.286 1.00 0.00 N flip ATOM 0 H HIS A 67 10.350 -2.903 76.229 1.00 0.00 H new ATOM 0 HA HIS A 67 9.873 -0.621 78.009 1.00 0.00 H new ATOM 0 HB2 HIS A 67 11.398 -3.108 78.767 1.00 0.00 H new ATOM 0 HB3 HIS A 67 10.208 -2.214 79.693 1.00 0.00 H new ATOM 0 HD2 HIS A 67 7.977 -2.041 77.362 1.00 0.00 H new ATOM 0 HE1 HIS A 67 7.677 -6.285 77.578 1.00 0.00 H new ATOM 0 HE2 HIS A 67 6.571 -4.104 76.813 1.00 0.00 H new ATOM 1047 N HIS A 68 12.709 -1.014 76.670 1.00 0.00 N ATOM 1048 CA HIS A 68 14.107 -0.513 76.617 1.00 0.00 C ATOM 1049 C HIS A 68 14.813 -0.841 77.925 1.00 0.00 C ATOM 1050 O HIS A 68 15.778 -0.201 78.296 1.00 0.00 O ATOM 1051 CB HIS A 68 14.101 1.001 76.410 1.00 0.00 C ATOM 1052 CG HIS A 68 15.515 1.494 76.267 1.00 0.00 C ATOM 1053 ND1 HIS A 68 16.568 1.050 75.508 1.00 0.00 N flip ATOM 1054 CD2 HIS A 68 15.990 2.592 76.968 1.00 0.00 C flip ATOM 1055 CE1 HIS A 68 17.681 1.855 75.733 1.00 0.00 C flip ATOM 1056 NE2 HIS A 68 17.279 2.768 76.621 1.00 0.00 N flip ATOM 0 H HIS A 68 12.379 -1.466 75.817 1.00 0.00 H new ATOM 0 HA HIS A 68 14.631 -0.991 75.789 1.00 0.00 H new ATOM 0 HB2 HIS A 68 13.525 1.255 75.520 1.00 0.00 H new ATOM 0 HB3 HIS A 68 13.617 1.492 77.254 1.00 0.00 H new ATOM 0 HD2 HIS A 68 15.428 3.196 77.665 1.00 0.00 H new ATOM 0 HE1 HIS A 68 18.660 1.761 75.286 1.00 0.00 H new ATOM 0 HE2 HIS A 68 17.875 3.508 76.991 1.00 0.00 H new ATOM 1064 N ILE A 69 14.350 -1.835 78.631 1.00 0.00 N ATOM 1065 CA ILE A 69 15.017 -2.182 79.905 1.00 0.00 C ATOM 1066 C ILE A 69 14.661 -3.600 80.339 1.00 0.00 C ATOM 1067 O ILE A 69 13.619 -4.134 80.022 1.00 0.00 O ATOM 1068 CB ILE A 69 14.600 -1.173 80.991 1.00 0.00 C ATOM 1069 CG1 ILE A 69 15.856 -0.587 81.643 1.00 0.00 C ATOM 1070 CG2 ILE A 69 13.731 -1.841 82.064 1.00 0.00 C ATOM 1071 CD1 ILE A 69 16.682 -1.694 82.321 1.00 0.00 C ATOM 0 H ILE A 69 13.548 -2.413 78.380 1.00 0.00 H new ATOM 0 HA ILE A 69 16.096 -2.137 79.760 1.00 0.00 H new ATOM 0 HB ILE A 69 14.015 -0.382 80.522 1.00 0.00 H new ATOM 0 HG12 ILE A 69 16.462 -0.084 80.890 1.00 0.00 H new ATOM 0 HG13 ILE A 69 15.573 0.165 82.379 1.00 0.00 H new ATOM 0 HG21 ILE A 69 13.452 -1.104 82.817 1.00 0.00 H new ATOM 0 HG22 ILE A 69 12.831 -2.247 81.602 1.00 0.00 H new ATOM 0 HG23 ILE A 69 14.292 -2.648 82.536 1.00 0.00 H new ATOM 0 HD11 ILE A 69 17.570 -1.257 82.778 1.00 0.00 H new ATOM 0 HD12 ILE A 69 16.080 -2.179 83.089 1.00 0.00 H new ATOM 0 HD13 ILE A 69 16.983 -2.431 81.577 1.00 0.00 H new ATOM 1083 N THR A 70 15.530 -4.180 81.103 1.00 0.00 N ATOM 1084 CA THR A 70 15.303 -5.529 81.641 1.00 0.00 C ATOM 1085 C THR A 70 14.920 -5.334 83.114 1.00 0.00 C ATOM 1086 O THR A 70 15.216 -4.303 83.688 1.00 0.00 O ATOM 1087 CB THR A 70 16.585 -6.337 81.462 1.00 0.00 C ATOM 1088 OG1 THR A 70 16.660 -7.354 82.438 1.00 0.00 O ATOM 1089 CG2 THR A 70 17.775 -5.389 81.566 1.00 0.00 C ATOM 0 H THR A 70 16.415 -3.757 81.383 1.00 0.00 H new ATOM 0 HA THR A 70 14.510 -6.078 81.133 1.00 0.00 H new ATOM 0 HB THR A 70 16.592 -6.817 80.484 1.00 0.00 H new ATOM 0 HG1 THR A 70 16.457 -8.219 82.025 1.00 0.00 H new ATOM 0 HG21 THR A 70 18.700 -5.951 81.440 1.00 0.00 H new ATOM 0 HG22 THR A 70 17.704 -4.629 80.788 1.00 0.00 H new ATOM 0 HG23 THR A 70 17.773 -4.908 82.544 1.00 0.00 H new ATOM 1097 N PRO A 71 14.201 -6.265 83.671 1.00 0.00 N ATOM 1098 CA PRO A 71 13.688 -6.127 85.050 1.00 0.00 C ATOM 1099 C PRO A 71 14.768 -6.103 86.155 1.00 0.00 C ATOM 1100 O PRO A 71 14.478 -5.703 87.266 1.00 0.00 O ATOM 1101 CB PRO A 71 12.754 -7.337 85.217 1.00 0.00 C ATOM 1102 CG PRO A 71 12.570 -7.946 83.806 1.00 0.00 C ATOM 1103 CD PRO A 71 13.813 -7.526 83.018 1.00 0.00 C ATOM 0 HA PRO A 71 13.198 -5.161 85.172 1.00 0.00 H new ATOM 0 HB2 PRO A 71 13.184 -8.068 85.902 1.00 0.00 H new ATOM 0 HB3 PRO A 71 11.795 -7.032 85.636 1.00 0.00 H new ATOM 0 HG2 PRO A 71 12.484 -9.031 83.855 1.00 0.00 H new ATOM 0 HG3 PRO A 71 11.661 -7.575 83.333 1.00 0.00 H new ATOM 0 HD2 PRO A 71 14.603 -8.274 83.080 1.00 0.00 H new ATOM 0 HD3 PRO A 71 13.592 -7.383 81.960 1.00 0.00 H new ATOM 1111 N LEU A 72 15.983 -6.521 85.926 1.00 0.00 N ATOM 1112 CA LEU A 72 16.951 -6.478 87.064 1.00 0.00 C ATOM 1113 C LEU A 72 17.047 -5.050 87.595 1.00 0.00 C ATOM 1114 O LEU A 72 17.117 -4.834 88.790 1.00 0.00 O ATOM 1115 CB LEU A 72 18.366 -6.959 86.673 1.00 0.00 C ATOM 1116 CG LEU A 72 18.379 -7.836 85.412 1.00 0.00 C ATOM 1117 CD1 LEU A 72 17.138 -8.738 85.333 1.00 0.00 C ATOM 1118 CD2 LEU A 72 18.473 -6.942 84.175 1.00 0.00 C ATOM 0 H LEU A 72 16.340 -6.877 85.039 1.00 0.00 H new ATOM 0 HA LEU A 72 16.572 -7.159 87.826 1.00 0.00 H new ATOM 0 HB2 LEU A 72 19.006 -6.092 86.511 1.00 0.00 H new ATOM 0 HB3 LEU A 72 18.794 -7.521 87.503 1.00 0.00 H new ATOM 0 HG LEU A 72 19.249 -8.491 85.457 1.00 0.00 H new ATOM 0 HD11 LEU A 72 17.185 -9.342 84.427 1.00 0.00 H new ATOM 0 HD12 LEU A 72 17.107 -9.392 86.205 1.00 0.00 H new ATOM 0 HD13 LEU A 72 16.240 -8.120 85.311 1.00 0.00 H new ATOM 0 HD21 LEU A 72 18.482 -7.562 83.278 1.00 0.00 H new ATOM 0 HD22 LEU A 72 17.614 -6.272 84.144 1.00 0.00 H new ATOM 0 HD23 LEU A 72 19.390 -6.354 84.220 1.00 0.00 H new ATOM 1130 N LEU A 73 17.048 -4.070 86.736 1.00 0.00 N ATOM 1131 CA LEU A 73 17.137 -2.671 87.239 1.00 0.00 C ATOM 1132 C LEU A 73 15.828 -2.320 87.927 1.00 0.00 C ATOM 1133 O LEU A 73 15.757 -1.419 88.737 1.00 0.00 O ATOM 1134 CB LEU A 73 17.429 -1.719 86.086 1.00 0.00 C ATOM 1135 CG LEU A 73 18.715 -2.184 85.395 1.00 0.00 C ATOM 1136 CD1 LEU A 73 18.388 -3.225 84.317 1.00 0.00 C ATOM 1137 CD2 LEU A 73 19.416 -0.987 84.757 1.00 0.00 C ATOM 0 H LEU A 73 16.992 -4.173 85.723 1.00 0.00 H new ATOM 0 HA LEU A 73 17.952 -2.578 87.956 1.00 0.00 H new ATOM 0 HB2 LEU A 73 16.599 -1.712 85.379 1.00 0.00 H new ATOM 0 HB3 LEU A 73 17.543 -0.699 86.454 1.00 0.00 H new ATOM 0 HG LEU A 73 19.373 -2.637 86.137 1.00 0.00 H new ATOM 0 HD11 LEU A 73 19.309 -3.549 83.832 1.00 0.00 H new ATOM 0 HD12 LEU A 73 17.899 -4.084 84.777 1.00 0.00 H new ATOM 0 HD13 LEU A 73 17.723 -2.783 83.575 1.00 0.00 H new ATOM 0 HD21 LEU A 73 20.330 -1.320 84.266 1.00 0.00 H new ATOM 0 HD22 LEU A 73 18.756 -0.528 84.021 1.00 0.00 H new ATOM 0 HD23 LEU A 73 19.663 -0.257 85.528 1.00 0.00 H new ATOM 1149 N SER A 74 14.793 -3.049 87.638 1.00 0.00 N ATOM 1150 CA SER A 74 13.501 -2.779 88.308 1.00 0.00 C ATOM 1151 C SER A 74 13.697 -2.883 89.826 1.00 0.00 C ATOM 1152 O SER A 74 13.327 -2.002 90.582 1.00 0.00 O ATOM 1153 CB SER A 74 12.473 -3.812 87.851 1.00 0.00 C ATOM 1154 OG SER A 74 12.651 -5.010 88.594 1.00 0.00 O ATOM 0 H SER A 74 14.787 -3.818 86.968 1.00 0.00 H new ATOM 0 HA SER A 74 13.148 -1.780 88.052 1.00 0.00 H new ATOM 0 HB2 SER A 74 11.464 -3.427 87.996 1.00 0.00 H new ATOM 0 HB3 SER A 74 12.588 -4.010 86.785 1.00 0.00 H new ATOM 0 HG SER A 74 13.187 -5.643 88.071 1.00 0.00 H new ATOM 1160 N ALA A 75 14.282 -3.963 90.271 1.00 0.00 N ATOM 1161 CA ALA A 75 14.508 -4.154 91.740 1.00 0.00 C ATOM 1162 C ALA A 75 15.577 -3.180 92.255 1.00 0.00 C ATOM 1163 O ALA A 75 15.503 -2.691 93.366 1.00 0.00 O ATOM 1164 CB ALA A 75 14.957 -5.593 91.992 1.00 0.00 C ATOM 0 H ALA A 75 14.615 -4.725 89.681 1.00 0.00 H new ATOM 0 HA ALA A 75 13.578 -3.955 92.272 1.00 0.00 H new ATOM 0 HB1 ALA A 75 15.124 -5.741 93.059 1.00 0.00 H new ATOM 0 HB2 ALA A 75 14.185 -6.281 91.647 1.00 0.00 H new ATOM 0 HB3 ALA A 75 15.883 -5.785 91.450 1.00 0.00 H new ATOM 1170 N VAL A 76 16.567 -2.900 91.456 1.00 0.00 N ATOM 1171 CA VAL A 76 17.649 -1.966 91.878 1.00 0.00 C ATOM 1172 C VAL A 76 17.027 -0.760 92.602 1.00 0.00 C ATOM 1173 O VAL A 76 17.265 -0.542 93.774 1.00 0.00 O ATOM 1174 CB VAL A 76 18.416 -1.548 90.614 1.00 0.00 C ATOM 1175 CG1 VAL A 76 19.352 -0.364 90.885 1.00 0.00 C ATOM 1176 CG2 VAL A 76 19.242 -2.749 90.135 1.00 0.00 C ATOM 0 H VAL A 76 16.675 -3.283 90.517 1.00 0.00 H new ATOM 0 HA VAL A 76 18.342 -2.437 92.575 1.00 0.00 H new ATOM 0 HB VAL A 76 17.699 -1.236 89.855 1.00 0.00 H new ATOM 0 HG11 VAL A 76 19.877 -0.098 89.968 1.00 0.00 H new ATOM 0 HG12 VAL A 76 18.768 0.490 91.230 1.00 0.00 H new ATOM 0 HG13 VAL A 76 20.077 -0.641 91.650 1.00 0.00 H new ATOM 0 HG21 VAL A 76 19.796 -2.475 89.237 1.00 0.00 H new ATOM 0 HG22 VAL A 76 19.942 -3.044 90.917 1.00 0.00 H new ATOM 0 HG23 VAL A 76 18.576 -3.582 89.910 1.00 0.00 H new ATOM 1186 N TYR A 77 16.226 0.012 91.926 1.00 0.00 N ATOM 1187 CA TYR A 77 15.578 1.182 92.586 1.00 0.00 C ATOM 1188 C TYR A 77 14.408 0.702 93.456 1.00 0.00 C ATOM 1189 O TYR A 77 13.329 1.262 93.418 1.00 0.00 O ATOM 1190 CB TYR A 77 15.050 2.135 91.509 1.00 0.00 C ATOM 1191 CG TYR A 77 15.868 1.977 90.245 1.00 0.00 C ATOM 1192 CD1 TYR A 77 17.101 2.628 90.122 1.00 0.00 C ATOM 1193 CD2 TYR A 77 15.389 1.183 89.193 1.00 0.00 C ATOM 1194 CE1 TYR A 77 17.854 2.486 88.951 1.00 0.00 C ATOM 1195 CE2 TYR A 77 16.143 1.042 88.022 1.00 0.00 C ATOM 1196 CZ TYR A 77 17.376 1.694 87.901 1.00 0.00 C ATOM 1197 OH TYR A 77 18.123 1.550 86.747 1.00 0.00 O ATOM 0 H TYR A 77 15.990 -0.115 90.942 1.00 0.00 H new ATOM 0 HA TYR A 77 16.306 1.697 93.213 1.00 0.00 H new ATOM 0 HB2 TYR A 77 14.001 1.923 91.304 1.00 0.00 H new ATOM 0 HB3 TYR A 77 15.104 3.165 91.862 1.00 0.00 H new ATOM 0 HD1 TYR A 77 17.471 3.240 90.931 1.00 0.00 H new ATOM 0 HD2 TYR A 77 14.438 0.680 89.286 1.00 0.00 H new ATOM 0 HE1 TYR A 77 18.805 2.988 88.858 1.00 0.00 H new ATOM 0 HE2 TYR A 77 15.774 0.430 87.212 1.00 0.00 H new ATOM 0 HH TYR A 77 17.529 1.569 85.968 1.00 0.00 H new ATOM 1207 N GLU A 78 14.605 -0.332 94.231 1.00 0.00 N ATOM 1208 CA GLU A 78 13.490 -0.844 95.090 1.00 0.00 C ATOM 1209 C GLU A 78 13.999 -1.043 96.520 1.00 0.00 C ATOM 1210 O GLU A 78 13.259 -0.928 97.475 1.00 0.00 O ATOM 1211 CB GLU A 78 13.022 -2.200 94.539 1.00 0.00 C ATOM 1212 CG GLU A 78 11.556 -2.461 94.902 1.00 0.00 C ATOM 1213 CD GLU A 78 11.272 -2.041 96.346 1.00 0.00 C ATOM 1214 OE1 GLU A 78 10.996 -0.872 96.560 1.00 0.00 O ATOM 1215 OE2 GLU A 78 11.320 -2.900 97.211 1.00 0.00 O ATOM 0 H GLU A 78 15.484 -0.844 94.308 1.00 0.00 H new ATOM 0 HA GLU A 78 12.667 -0.129 95.088 1.00 0.00 H new ATOM 0 HB2 GLU A 78 13.141 -2.218 93.456 1.00 0.00 H new ATOM 0 HB3 GLU A 78 13.648 -2.996 94.942 1.00 0.00 H new ATOM 0 HG2 GLU A 78 10.905 -1.910 94.223 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.328 -3.519 94.774 1.00 0.00 H new ATOM 1222 N GLY A 79 15.250 -1.377 96.670 1.00 0.00 N ATOM 1223 CA GLY A 79 15.795 -1.631 98.031 1.00 0.00 C ATOM 1224 C GLY A 79 15.692 -3.130 98.284 1.00 0.00 C ATOM 1225 O GLY A 79 16.164 -3.648 99.277 1.00 0.00 O ATOM 0 H GLY A 79 15.919 -1.485 95.908 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.831 -1.300 98.099 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.233 -1.075 98.781 1.00 0.00 H new ATOM 1229 N HIS A 80 15.077 -3.836 97.370 1.00 0.00 N ATOM 1230 CA HIS A 80 14.943 -5.304 97.535 1.00 0.00 C ATOM 1231 C HIS A 80 16.256 -5.950 97.114 1.00 0.00 C ATOM 1232 O HIS A 80 16.890 -6.642 97.887 1.00 0.00 O ATOM 1233 CB HIS A 80 13.789 -5.811 96.652 1.00 0.00 C ATOM 1234 CG HIS A 80 12.524 -5.843 97.472 1.00 0.00 C ATOM 1235 ND1 HIS A 80 11.543 -6.804 97.291 1.00 0.00 N ATOM 1236 CD2 HIS A 80 12.088 -5.054 98.506 1.00 0.00 C ATOM 1237 CE1 HIS A 80 10.584 -6.583 98.206 1.00 0.00 C ATOM 1238 NE2 HIS A 80 10.865 -5.526 98.973 1.00 0.00 N ATOM 0 H HIS A 80 14.664 -3.455 96.519 1.00 0.00 H new ATOM 0 HA HIS A 80 14.724 -5.559 98.572 1.00 0.00 H new ATOM 0 HB2 HIS A 80 13.661 -5.159 95.788 1.00 0.00 H new ATOM 0 HB3 HIS A 80 14.016 -6.806 96.270 1.00 0.00 H new ATOM 0 HD2 HIS A 80 12.614 -4.196 98.898 1.00 0.00 H new ATOM 0 HE1 HIS A 80 9.694 -7.187 98.309 1.00 0.00 H new ATOM 0 HE2 HIS A 80 10.304 -5.147 99.736 1.00 0.00 H new ATOM 1246 N VAL A 81 16.676 -5.708 95.897 1.00 0.00 N ATOM 1247 CA VAL A 81 17.961 -6.281 95.399 1.00 0.00 C ATOM 1248 C VAL A 81 18.204 -7.673 95.982 1.00 0.00 C ATOM 1249 O VAL A 81 19.293 -8.214 95.909 1.00 0.00 O ATOM 1250 CB VAL A 81 19.110 -5.309 95.709 1.00 0.00 C ATOM 1251 CG1 VAL A 81 19.190 -4.273 94.577 1.00 0.00 C ATOM 1252 CG2 VAL A 81 18.823 -4.573 97.025 1.00 0.00 C ATOM 0 H VAL A 81 16.176 -5.131 95.221 1.00 0.00 H new ATOM 0 HA VAL A 81 17.907 -6.406 94.318 1.00 0.00 H new ATOM 0 HB VAL A 81 20.046 -5.861 95.795 1.00 0.00 H new ATOM 0 HG11 VAL A 81 20.001 -3.574 94.780 1.00 0.00 H new ATOM 0 HG12 VAL A 81 19.378 -4.781 93.631 1.00 0.00 H new ATOM 0 HG13 VAL A 81 18.248 -3.728 94.515 1.00 0.00 H new ATOM 0 HG21 VAL A 81 19.640 -3.884 97.242 1.00 0.00 H new ATOM 0 HG22 VAL A 81 17.892 -4.014 96.934 1.00 0.00 H new ATOM 0 HG23 VAL A 81 18.734 -5.297 97.835 1.00 0.00 H new ATOM 1262 N SER A 82 17.175 -8.283 96.490 1.00 0.00 N ATOM 1263 CA SER A 82 17.307 -9.670 96.984 1.00 0.00 C ATOM 1264 C SER A 82 17.125 -10.532 95.739 1.00 0.00 C ATOM 1265 O SER A 82 17.534 -11.673 95.675 1.00 0.00 O ATOM 1266 CB SER A 82 16.223 -9.976 98.031 1.00 0.00 C ATOM 1267 OG SER A 82 16.778 -9.847 99.336 1.00 0.00 O ATOM 0 H SER A 82 16.245 -7.876 96.583 1.00 0.00 H new ATOM 0 HA SER A 82 18.263 -9.852 97.475 1.00 0.00 H new ATOM 0 HB2 SER A 82 15.383 -9.292 97.912 1.00 0.00 H new ATOM 0 HB3 SER A 82 15.836 -10.985 97.886 1.00 0.00 H new ATOM 0 HG SER A 82 16.089 -10.040 100.005 1.00 0.00 H new ATOM 1273 N CYS A 83 16.512 -9.941 94.737 1.00 0.00 N ATOM 1274 CA CYS A 83 16.278 -10.637 93.442 1.00 0.00 C ATOM 1275 C CYS A 83 17.533 -10.497 92.571 1.00 0.00 C ATOM 1276 O CYS A 83 18.076 -11.472 92.102 1.00 0.00 O ATOM 1277 CB CYS A 83 15.072 -10.007 92.733 1.00 0.00 C ATOM 1278 SG CYS A 83 15.568 -8.485 91.886 1.00 0.00 S ATOM 0 H CYS A 83 16.159 -8.985 94.770 1.00 0.00 H new ATOM 0 HA CYS A 83 16.072 -11.693 93.616 1.00 0.00 H new ATOM 0 HB2 CYS A 83 14.655 -10.712 92.014 1.00 0.00 H new ATOM 0 HB3 CYS A 83 14.288 -9.789 93.458 1.00 0.00 H new ATOM 0 HG CYS A 83 14.706 -8.207 90.954 1.00 0.00 H new ATOM 1284 N VAL A 84 18.012 -9.291 92.363 1.00 0.00 N ATOM 1285 CA VAL A 84 19.246 -9.114 91.536 1.00 0.00 C ATOM 1286 C VAL A 84 20.235 -10.209 91.914 1.00 0.00 C ATOM 1287 O VAL A 84 20.918 -10.778 91.084 1.00 0.00 O ATOM 1288 CB VAL A 84 19.910 -7.776 91.854 1.00 0.00 C ATOM 1289 CG1 VAL A 84 18.996 -6.618 91.453 1.00 0.00 C ATOM 1290 CG2 VAL A 84 20.203 -7.716 93.351 1.00 0.00 C ATOM 0 H VAL A 84 17.604 -8.430 92.728 1.00 0.00 H new ATOM 0 HA VAL A 84 18.975 -9.155 90.481 1.00 0.00 H new ATOM 0 HB VAL A 84 20.839 -7.688 91.290 1.00 0.00 H new ATOM 0 HG11 VAL A 84 19.484 -5.672 91.686 1.00 0.00 H new ATOM 0 HG12 VAL A 84 18.794 -6.668 90.383 1.00 0.00 H new ATOM 0 HG13 VAL A 84 18.058 -6.688 92.003 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.678 -6.765 93.591 1.00 0.00 H new ATOM 0 HG22 VAL A 84 19.271 -7.807 93.908 1.00 0.00 H new ATOM 0 HG23 VAL A 84 20.870 -8.533 93.624 1.00 0.00 H new ATOM 1300 N LYS A 85 20.315 -10.486 93.182 1.00 0.00 N ATOM 1301 CA LYS A 85 21.253 -11.518 93.681 1.00 0.00 C ATOM 1302 C LYS A 85 21.065 -12.836 92.908 1.00 0.00 C ATOM 1303 O LYS A 85 21.819 -13.149 92.004 1.00 0.00 O ATOM 1304 CB LYS A 85 20.969 -11.725 95.173 1.00 0.00 C ATOM 1305 CG LYS A 85 21.448 -10.497 95.970 1.00 0.00 C ATOM 1306 CD LYS A 85 22.555 -10.902 96.954 1.00 0.00 C ATOM 1307 CE LYS A 85 23.855 -11.184 96.195 1.00 0.00 C ATOM 1308 NZ LYS A 85 23.798 -12.546 95.596 1.00 0.00 N ATOM 0 H LYS A 85 19.758 -10.031 93.905 1.00 0.00 H new ATOM 0 HA LYS A 85 22.284 -11.195 93.534 1.00 0.00 H new ATOM 0 HB2 LYS A 85 19.902 -11.879 95.332 1.00 0.00 H new ATOM 0 HB3 LYS A 85 21.477 -12.622 95.528 1.00 0.00 H new ATOM 0 HG2 LYS A 85 21.820 -9.734 95.287 1.00 0.00 H new ATOM 0 HG3 LYS A 85 20.611 -10.058 96.513 1.00 0.00 H new ATOM 0 HD2 LYS A 85 22.715 -10.106 97.682 1.00 0.00 H new ATOM 0 HD3 LYS A 85 22.251 -11.788 97.512 1.00 0.00 H new ATOM 0 HE2 LYS A 85 24.001 -10.438 95.414 1.00 0.00 H new ATOM 0 HE3 LYS A 85 24.707 -11.108 96.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 24.757 -12.947 95.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 23.192 -13.157 96.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 23.406 -12.486 94.635 1.00 0.00 H new ATOM 1322 N LEU A 86 20.078 -13.622 93.255 1.00 0.00 N ATOM 1323 CA LEU A 86 19.875 -14.917 92.530 1.00 0.00 C ATOM 1324 C LEU A 86 19.552 -14.665 91.056 1.00 0.00 C ATOM 1325 O LEU A 86 19.330 -15.590 90.298 1.00 0.00 O ATOM 1326 CB LEU A 86 18.774 -15.784 93.180 1.00 0.00 C ATOM 1327 CG LEU A 86 17.429 -15.048 93.344 1.00 0.00 C ATOM 1328 CD1 LEU A 86 17.556 -13.883 94.325 1.00 0.00 C ATOM 1329 CD2 LEU A 86 16.915 -14.532 91.996 1.00 0.00 C ATOM 0 H LEU A 86 19.409 -13.428 94.000 1.00 0.00 H new ATOM 0 HA LEU A 86 20.810 -15.472 92.600 1.00 0.00 H new ATOM 0 HB2 LEU A 86 18.619 -16.676 92.573 1.00 0.00 H new ATOM 0 HB3 LEU A 86 19.117 -16.120 94.159 1.00 0.00 H new ATOM 0 HG LEU A 86 16.713 -15.767 93.742 1.00 0.00 H new ATOM 0 HD11 LEU A 86 16.593 -13.382 94.421 1.00 0.00 H new ATOM 0 HD12 LEU A 86 17.868 -14.260 95.299 1.00 0.00 H new ATOM 0 HD13 LEU A 86 18.298 -13.175 93.955 1.00 0.00 H new ATOM 0 HD21 LEU A 86 15.965 -14.017 92.142 1.00 0.00 H new ATOM 0 HD22 LEU A 86 17.641 -13.840 91.570 1.00 0.00 H new ATOM 0 HD23 LEU A 86 16.772 -15.371 91.316 1.00 0.00 H new ATOM 1341 N LEU A 87 19.500 -13.429 90.643 1.00 0.00 N ATOM 1342 CA LEU A 87 19.165 -13.145 89.219 1.00 0.00 C ATOM 1343 C LEU A 87 20.357 -13.464 88.315 1.00 0.00 C ATOM 1344 O LEU A 87 20.301 -14.389 87.529 1.00 0.00 O ATOM 1345 CB LEU A 87 18.795 -11.672 89.064 1.00 0.00 C ATOM 1346 CG LEU A 87 17.357 -11.538 88.561 1.00 0.00 C ATOM 1347 CD1 LEU A 87 16.918 -10.078 88.669 1.00 0.00 C ATOM 1348 CD2 LEU A 87 17.277 -11.988 87.100 1.00 0.00 C ATOM 0 H LEU A 87 19.673 -12.609 91.224 1.00 0.00 H new ATOM 0 HA LEU A 87 18.322 -13.771 88.928 1.00 0.00 H new ATOM 0 HB2 LEU A 87 18.903 -11.160 90.020 1.00 0.00 H new ATOM 0 HB3 LEU A 87 19.479 -11.189 88.365 1.00 0.00 H new ATOM 0 HG LEU A 87 16.701 -12.164 89.166 1.00 0.00 H new ATOM 0 HD11 LEU A 87 15.893 -9.979 88.311 1.00 0.00 H new ATOM 0 HD12 LEU A 87 16.972 -9.758 89.710 1.00 0.00 H new ATOM 0 HD13 LEU A 87 17.576 -9.455 88.063 1.00 0.00 H new ATOM 0 HD21 LEU A 87 16.251 -11.891 86.745 1.00 0.00 H new ATOM 0 HD22 LEU A 87 17.932 -11.365 86.491 1.00 0.00 H new ATOM 0 HD23 LEU A 87 17.591 -13.029 87.022 1.00 0.00 H new ATOM 1360 N LEU A 88 21.430 -12.710 88.387 1.00 0.00 N ATOM 1361 CA LEU A 88 22.565 -13.028 87.484 1.00 0.00 C ATOM 1362 C LEU A 88 22.949 -14.488 87.672 1.00 0.00 C ATOM 1363 O LEU A 88 23.643 -15.070 86.863 1.00 0.00 O ATOM 1364 CB LEU A 88 23.772 -12.092 87.687 1.00 0.00 C ATOM 1365 CG LEU A 88 24.511 -12.348 89.009 1.00 0.00 C ATOM 1366 CD1 LEU A 88 23.524 -12.404 90.168 1.00 0.00 C ATOM 1367 CD2 LEU A 88 25.306 -13.660 88.937 1.00 0.00 C ATOM 0 H LEU A 88 21.561 -11.915 89.013 1.00 0.00 H new ATOM 0 HA LEU A 88 22.242 -12.864 86.456 1.00 0.00 H new ATOM 0 HB2 LEU A 88 24.467 -12.219 86.857 1.00 0.00 H new ATOM 0 HB3 LEU A 88 23.431 -11.057 87.662 1.00 0.00 H new ATOM 0 HG LEU A 88 25.206 -11.525 89.176 1.00 0.00 H new ATOM 0 HD11 LEU A 88 24.064 -12.586 91.097 1.00 0.00 H new ATOM 0 HD12 LEU A 88 22.991 -11.456 90.238 1.00 0.00 H new ATOM 0 HD13 LEU A 88 22.810 -13.210 89.999 1.00 0.00 H new ATOM 0 HD21 LEU A 88 25.823 -13.825 89.882 1.00 0.00 H new ATOM 0 HD22 LEU A 88 24.624 -14.489 88.747 1.00 0.00 H new ATOM 0 HD23 LEU A 88 26.036 -13.599 88.130 1.00 0.00 H new ATOM 1379 N SER A 89 22.458 -15.101 88.707 1.00 0.00 N ATOM 1380 CA SER A 89 22.748 -16.543 88.899 1.00 0.00 C ATOM 1381 C SER A 89 22.199 -17.269 87.669 1.00 0.00 C ATOM 1382 O SER A 89 22.572 -18.383 87.359 1.00 0.00 O ATOM 1383 CB SER A 89 22.043 -17.048 90.159 1.00 0.00 C ATOM 1384 OG SER A 89 22.676 -18.238 90.609 1.00 0.00 O ATOM 0 H SER A 89 21.873 -14.670 89.423 1.00 0.00 H new ATOM 0 HA SER A 89 23.817 -16.719 89.014 1.00 0.00 H new ATOM 0 HB2 SER A 89 22.078 -16.287 90.939 1.00 0.00 H new ATOM 0 HB3 SER A 89 20.991 -17.240 89.948 1.00 0.00 H new ATOM 0 HG SER A 89 22.226 -18.562 91.417 1.00 0.00 H new ATOM 1390 N LYS A 90 21.307 -16.615 86.965 1.00 0.00 N ATOM 1391 CA LYS A 90 20.704 -17.208 85.741 1.00 0.00 C ATOM 1392 C LYS A 90 21.321 -16.537 84.508 1.00 0.00 C ATOM 1393 O LYS A 90 21.252 -17.050 83.409 1.00 0.00 O ATOM 1394 CB LYS A 90 19.194 -16.939 85.765 1.00 0.00 C ATOM 1395 CG LYS A 90 18.498 -18.002 86.617 1.00 0.00 C ATOM 1396 CD LYS A 90 17.061 -17.567 86.933 1.00 0.00 C ATOM 1397 CE LYS A 90 17.038 -16.753 88.231 1.00 0.00 C ATOM 1398 NZ LYS A 90 17.487 -17.610 89.368 1.00 0.00 N ATOM 0 H LYS A 90 20.969 -15.680 87.195 1.00 0.00 H new ATOM 0 HA LYS A 90 20.891 -18.281 85.705 1.00 0.00 H new ATOM 0 HB2 LYS A 90 18.997 -15.947 86.171 1.00 0.00 H new ATOM 0 HB3 LYS A 90 18.796 -16.953 84.751 1.00 0.00 H new ATOM 0 HG2 LYS A 90 18.490 -18.955 86.088 1.00 0.00 H new ATOM 0 HG3 LYS A 90 19.051 -18.156 87.543 1.00 0.00 H new ATOM 0 HD2 LYS A 90 16.663 -16.971 86.112 1.00 0.00 H new ATOM 0 HD3 LYS A 90 16.419 -18.443 87.031 1.00 0.00 H new ATOM 0 HE2 LYS A 90 17.689 -15.884 88.138 1.00 0.00 H new ATOM 0 HE3 LYS A 90 16.032 -16.379 88.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 16.716 -17.700 90.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 17.745 -18.553 89.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 18.314 -17.175 89.825 1.00 0.00 H new ATOM 1412 N GLY A 91 21.921 -15.391 84.692 1.00 0.00 N ATOM 1413 CA GLY A 91 22.547 -14.661 83.551 1.00 0.00 C ATOM 1414 C GLY A 91 22.135 -13.186 83.609 1.00 0.00 C ATOM 1415 O GLY A 91 22.677 -12.408 84.366 1.00 0.00 O ATOM 0 H GLY A 91 22.005 -14.924 85.595 1.00 0.00 H new ATOM 0 HA2 GLY A 91 23.632 -14.750 83.599 1.00 0.00 H new ATOM 0 HA3 GLY A 91 22.232 -15.102 82.605 1.00 0.00 H new ATOM 1419 N ALA A 92 21.164 -12.804 82.823 1.00 0.00 N ATOM 1420 CA ALA A 92 20.684 -11.388 82.833 1.00 0.00 C ATOM 1421 C ALA A 92 21.832 -10.397 82.688 1.00 0.00 C ATOM 1422 O ALA A 92 21.605 -9.208 82.595 1.00 0.00 O ATOM 1423 CB ALA A 92 19.973 -11.117 84.159 1.00 0.00 C ATOM 0 H ALA A 92 20.678 -13.417 82.168 1.00 0.00 H new ATOM 0 HA ALA A 92 20.010 -11.256 81.987 1.00 0.00 H new ATOM 0 HB1 ALA A 92 19.618 -10.086 84.178 1.00 0.00 H new ATOM 0 HB2 ALA A 92 19.125 -11.794 84.262 1.00 0.00 H new ATOM 0 HB3 ALA A 92 20.668 -11.277 84.984 1.00 0.00 H new ATOM 1429 N ASP A 93 23.050 -10.840 82.669 1.00 0.00 N ATOM 1430 CA ASP A 93 24.155 -9.863 82.537 1.00 0.00 C ATOM 1431 C ASP A 93 23.873 -8.686 83.481 1.00 0.00 C ATOM 1432 O ASP A 93 23.653 -8.863 84.662 1.00 0.00 O ATOM 1433 CB ASP A 93 24.167 -9.358 81.096 1.00 0.00 C ATOM 1434 CG ASP A 93 24.562 -10.492 80.151 1.00 0.00 C ATOM 1435 OD1 ASP A 93 23.712 -11.317 79.861 1.00 0.00 O ATOM 1436 OD2 ASP A 93 25.706 -10.512 79.729 1.00 0.00 O ATOM 0 H ASP A 93 23.327 -11.819 82.738 1.00 0.00 H new ATOM 0 HA ASP A 93 25.114 -10.318 82.786 1.00 0.00 H new ATOM 0 HB2 ASP A 93 23.182 -8.975 80.827 1.00 0.00 H new ATOM 0 HB3 ASP A 93 24.869 -8.530 80.998 1.00 0.00 H new ATOM 1441 N LYS A 94 23.842 -7.495 82.958 1.00 0.00 N ATOM 1442 CA LYS A 94 23.527 -6.308 83.797 1.00 0.00 C ATOM 1443 C LYS A 94 23.214 -5.115 82.879 1.00 0.00 C ATOM 1444 O LYS A 94 22.546 -4.180 83.273 1.00 0.00 O ATOM 1445 CB LYS A 94 24.679 -5.992 84.760 1.00 0.00 C ATOM 1446 CG LYS A 94 26.006 -6.551 84.231 1.00 0.00 C ATOM 1447 CD LYS A 94 27.047 -5.430 84.178 1.00 0.00 C ATOM 1448 CE LYS A 94 26.781 -4.564 82.945 1.00 0.00 C ATOM 1449 NZ LYS A 94 27.654 -3.359 82.969 1.00 0.00 N ATOM 0 H LYS A 94 24.023 -7.291 81.975 1.00 0.00 H new ATOM 0 HA LYS A 94 22.652 -6.520 84.412 1.00 0.00 H new ATOM 0 HB2 LYS A 94 24.762 -4.913 84.892 1.00 0.00 H new ATOM 0 HB3 LYS A 94 24.466 -6.418 85.740 1.00 0.00 H new ATOM 0 HG2 LYS A 94 26.356 -7.357 84.876 1.00 0.00 H new ATOM 0 HG3 LYS A 94 25.863 -6.977 83.238 1.00 0.00 H new ATOM 0 HD2 LYS A 94 26.995 -4.824 85.083 1.00 0.00 H new ATOM 0 HD3 LYS A 94 28.052 -5.850 84.134 1.00 0.00 H new ATOM 0 HE2 LYS A 94 26.968 -5.140 82.039 1.00 0.00 H new ATOM 0 HE3 LYS A 94 25.734 -4.263 82.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 27.321 -2.675 82.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 27.620 -2.924 83.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 28.633 -3.635 82.750 1.00 0.00 H new ATOM 1463 N THR A 95 23.666 -5.155 81.647 1.00 0.00 N ATOM 1464 CA THR A 95 23.361 -4.045 80.691 1.00 0.00 C ATOM 1465 C THR A 95 22.970 -4.651 79.343 1.00 0.00 C ATOM 1466 O THR A 95 23.358 -4.175 78.296 1.00 0.00 O ATOM 1467 CB THR A 95 24.586 -3.146 80.503 1.00 0.00 C ATOM 1468 OG1 THR A 95 25.767 -3.926 80.608 1.00 0.00 O ATOM 1469 CG2 THR A 95 24.584 -2.055 81.569 1.00 0.00 C ATOM 0 H THR A 95 24.234 -5.910 81.263 1.00 0.00 H new ATOM 0 HA THR A 95 22.544 -3.444 81.090 1.00 0.00 H new ATOM 0 HB THR A 95 24.552 -2.682 79.517 1.00 0.00 H new ATOM 0 HG1 THR A 95 26.539 -3.390 80.330 1.00 0.00 H new ATOM 0 HG21 THR A 95 25.456 -1.415 81.436 1.00 0.00 H new ATOM 0 HG22 THR A 95 23.677 -1.457 81.476 1.00 0.00 H new ATOM 0 HG23 THR A 95 24.617 -2.512 82.558 1.00 0.00 H new ATOM 1477 N VAL A 96 22.199 -5.699 79.365 1.00 0.00 N ATOM 1478 CA VAL A 96 21.773 -6.338 78.096 1.00 0.00 C ATOM 1479 C VAL A 96 20.632 -5.512 77.494 1.00 0.00 C ATOM 1480 O VAL A 96 20.107 -5.834 76.442 1.00 0.00 O ATOM 1481 CB VAL A 96 21.314 -7.783 78.389 1.00 0.00 C ATOM 1482 CG1 VAL A 96 20.195 -8.205 77.431 1.00 0.00 C ATOM 1483 CG2 VAL A 96 22.497 -8.742 78.220 1.00 0.00 C ATOM 0 H VAL A 96 21.845 -6.142 80.213 1.00 0.00 H new ATOM 0 HA VAL A 96 22.597 -6.375 77.384 1.00 0.00 H new ATOM 0 HB VAL A 96 20.939 -7.821 79.412 1.00 0.00 H new ATOM 0 HG11 VAL A 96 19.888 -9.226 77.657 1.00 0.00 H new ATOM 0 HG12 VAL A 96 19.343 -7.536 77.550 1.00 0.00 H new ATOM 0 HG13 VAL A 96 20.557 -8.154 76.404 1.00 0.00 H new ATOM 0 HG21 VAL A 96 22.171 -9.761 78.427 1.00 0.00 H new ATOM 0 HG22 VAL A 96 22.872 -8.681 77.198 1.00 0.00 H new ATOM 0 HG23 VAL A 96 23.291 -8.466 78.914 1.00 0.00 H new ATOM 1493 N LYS A 97 20.232 -4.446 78.152 1.00 0.00 N ATOM 1494 CA LYS A 97 19.118 -3.628 77.592 1.00 0.00 C ATOM 1495 C LYS A 97 19.053 -2.206 78.210 1.00 0.00 C ATOM 1496 O LYS A 97 18.381 -1.346 77.677 1.00 0.00 O ATOM 1497 CB LYS A 97 17.801 -4.368 77.856 1.00 0.00 C ATOM 1498 CG LYS A 97 17.119 -4.702 76.525 1.00 0.00 C ATOM 1499 CD LYS A 97 16.532 -3.424 75.917 1.00 0.00 C ATOM 1500 CE LYS A 97 16.333 -3.609 74.409 1.00 0.00 C ATOM 1501 NZ LYS A 97 15.996 -2.295 73.793 1.00 0.00 N ATOM 0 H LYS A 97 20.623 -4.116 79.035 1.00 0.00 H new ATOM 0 HA LYS A 97 19.292 -3.498 76.524 1.00 0.00 H new ATOM 0 HB2 LYS A 97 17.993 -5.283 78.417 1.00 0.00 H new ATOM 0 HB3 LYS A 97 17.143 -3.751 78.468 1.00 0.00 H new ATOM 0 HG2 LYS A 97 17.838 -5.148 75.837 1.00 0.00 H new ATOM 0 HG3 LYS A 97 16.331 -5.438 76.683 1.00 0.00 H new ATOM 0 HD2 LYS A 97 15.580 -3.189 76.392 1.00 0.00 H new ATOM 0 HD3 LYS A 97 17.198 -2.582 76.104 1.00 0.00 H new ATOM 0 HE2 LYS A 97 17.239 -4.014 73.958 1.00 0.00 H new ATOM 0 HE3 LYS A 97 15.535 -4.327 74.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 16.174 -2.336 72.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 14.993 -2.079 73.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 16.586 -1.551 74.217 1.00 0.00 H new ATOM 1515 N GLY A 98 19.714 -1.936 79.314 1.00 0.00 N ATOM 1516 CA GLY A 98 19.629 -0.557 79.903 1.00 0.00 C ATOM 1517 C GLY A 98 20.496 0.410 79.085 1.00 0.00 C ATOM 1518 O GLY A 98 21.202 -0.008 78.192 1.00 0.00 O ATOM 0 H GLY A 98 20.299 -2.597 79.825 1.00 0.00 H new ATOM 0 HA2 GLY A 98 18.594 -0.217 79.908 1.00 0.00 H new ATOM 0 HA3 GLY A 98 19.964 -0.573 80.940 1.00 0.00 H new ATOM 1522 N PRO A 99 20.429 1.678 79.428 1.00 0.00 N ATOM 1523 CA PRO A 99 21.217 2.724 78.745 1.00 0.00 C ATOM 1524 C PRO A 99 22.640 2.234 78.527 1.00 0.00 C ATOM 1525 O PRO A 99 23.024 1.857 77.437 1.00 0.00 O ATOM 1526 CB PRO A 99 21.166 3.912 79.722 1.00 0.00 C ATOM 1527 CG PRO A 99 19.934 3.676 80.627 1.00 0.00 C ATOM 1528 CD PRO A 99 19.579 2.179 80.527 1.00 0.00 C ATOM 0 HA PRO A 99 20.836 2.991 77.759 1.00 0.00 H new ATOM 0 HB2 PRO A 99 22.079 3.968 80.315 1.00 0.00 H new ATOM 0 HB3 PRO A 99 21.078 4.855 79.183 1.00 0.00 H new ATOM 0 HG2 PRO A 99 20.155 3.952 81.658 1.00 0.00 H new ATOM 0 HG3 PRO A 99 19.095 4.293 80.305 1.00 0.00 H new ATOM 0 HD2 PRO A 99 19.787 1.657 81.461 1.00 0.00 H new ATOM 0 HD3 PRO A 99 18.521 2.034 80.310 1.00 0.00 H new ATOM 1536 N ASP A 100 23.417 2.225 79.559 1.00 0.00 N ATOM 1537 CA ASP A 100 24.808 1.748 79.436 1.00 0.00 C ATOM 1538 C ASP A 100 25.303 1.396 80.831 1.00 0.00 C ATOM 1539 O ASP A 100 24.699 0.613 81.538 1.00 0.00 O ATOM 1540 CB ASP A 100 25.686 2.848 78.826 1.00 0.00 C ATOM 1541 CG ASP A 100 27.077 2.288 78.517 1.00 0.00 C ATOM 1542 OD1 ASP A 100 27.258 1.768 77.428 1.00 0.00 O ATOM 1543 OD2 ASP A 100 27.940 2.391 79.375 1.00 0.00 O ATOM 0 H ASP A 100 23.145 2.531 80.493 1.00 0.00 H new ATOM 0 HA ASP A 100 24.856 0.875 78.786 1.00 0.00 H new ATOM 0 HB2 ASP A 100 25.226 3.229 77.914 1.00 0.00 H new ATOM 0 HB3 ASP A 100 25.767 3.687 79.517 1.00 0.00 H new ATOM 1548 N GLY A 101 26.379 1.975 81.245 1.00 0.00 N ATOM 1549 CA GLY A 101 26.904 1.673 82.601 1.00 0.00 C ATOM 1550 C GLY A 101 25.803 1.876 83.656 1.00 0.00 C ATOM 1551 O GLY A 101 26.017 1.656 84.837 1.00 0.00 O ATOM 0 H GLY A 101 26.924 2.648 80.706 1.00 0.00 H new ATOM 0 HA2 GLY A 101 27.267 0.646 82.637 1.00 0.00 H new ATOM 0 HA3 GLY A 101 27.753 2.320 82.822 1.00 0.00 H new ATOM 1555 N LEU A 102 24.617 2.284 83.264 1.00 0.00 N ATOM 1556 CA LEU A 102 23.558 2.484 84.294 1.00 0.00 C ATOM 1557 C LEU A 102 23.510 1.280 85.198 1.00 0.00 C ATOM 1558 O LEU A 102 23.980 1.327 86.311 1.00 0.00 O ATOM 1559 CB LEU A 102 22.159 2.692 83.700 1.00 0.00 C ATOM 1560 CG LEU A 102 21.232 3.309 84.774 1.00 0.00 C ATOM 1561 CD1 LEU A 102 19.827 3.512 84.208 1.00 0.00 C ATOM 1562 CD2 LEU A 102 21.132 2.395 86.003 1.00 0.00 C ATOM 0 H LEU A 102 24.345 2.481 82.301 1.00 0.00 H new ATOM 0 HA LEU A 102 23.823 3.391 84.837 1.00 0.00 H new ATOM 0 HB2 LEU A 102 22.214 3.348 82.831 1.00 0.00 H new ATOM 0 HB3 LEU A 102 21.753 1.741 83.356 1.00 0.00 H new ATOM 0 HG LEU A 102 21.661 4.267 85.067 1.00 0.00 H new ATOM 0 HD11 LEU A 102 19.185 3.947 84.974 1.00 0.00 H new ATOM 0 HD12 LEU A 102 19.874 4.183 83.350 1.00 0.00 H new ATOM 0 HD13 LEU A 102 19.418 2.551 83.895 1.00 0.00 H new ATOM 0 HD21 LEU A 102 20.475 2.851 86.743 1.00 0.00 H new ATOM 0 HD22 LEU A 102 20.727 1.428 85.705 1.00 0.00 H new ATOM 0 HD23 LEU A 102 22.123 2.256 86.435 1.00 0.00 H new ATOM 1574 N THR A 103 22.898 0.217 84.763 1.00 0.00 N ATOM 1575 CA THR A 103 22.787 -0.946 85.665 1.00 0.00 C ATOM 1576 C THR A 103 22.865 -0.426 87.095 1.00 0.00 C ATOM 1577 O THR A 103 22.023 0.333 87.548 1.00 0.00 O ATOM 1578 CB THR A 103 23.939 -1.925 85.409 1.00 0.00 C ATOM 1579 OG1 THR A 103 24.150 -2.722 86.565 1.00 0.00 O ATOM 1580 CG2 THR A 103 25.220 -1.152 85.084 1.00 0.00 C ATOM 0 H THR A 103 22.479 0.108 83.839 1.00 0.00 H new ATOM 0 HA THR A 103 21.848 -1.471 85.493 1.00 0.00 H new ATOM 0 HB THR A 103 23.682 -2.564 84.564 1.00 0.00 H new ATOM 0 HG1 THR A 103 25.112 -2.831 86.716 1.00 0.00 H new ATOM 0 HG21 THR A 103 26.033 -1.855 84.904 1.00 0.00 H new ATOM 0 HG22 THR A 103 25.062 -0.544 84.193 1.00 0.00 H new ATOM 0 HG23 THR A 103 25.478 -0.506 85.923 1.00 0.00 H new ATOM 1588 N ALA A 104 23.876 -0.808 87.797 1.00 0.00 N ATOM 1589 CA ALA A 104 24.023 -0.365 89.202 1.00 0.00 C ATOM 1590 C ALA A 104 24.836 0.944 89.316 1.00 0.00 C ATOM 1591 O ALA A 104 24.701 1.678 90.281 1.00 0.00 O ATOM 1592 CB ALA A 104 24.733 -1.488 89.967 1.00 0.00 C ATOM 0 H ALA A 104 24.620 -1.417 87.457 1.00 0.00 H new ATOM 0 HA ALA A 104 23.037 -0.161 89.619 1.00 0.00 H new ATOM 0 HB1 ALA A 104 24.859 -1.195 91.009 1.00 0.00 H new ATOM 0 HB2 ALA A 104 24.135 -2.398 89.915 1.00 0.00 H new ATOM 0 HB3 ALA A 104 25.711 -1.670 89.521 1.00 0.00 H new ATOM 1598 N LEU A 105 25.709 1.228 88.380 1.00 0.00 N ATOM 1599 CA LEU A 105 26.564 2.450 88.492 1.00 0.00 C ATOM 1600 C LEU A 105 25.762 3.749 88.631 1.00 0.00 C ATOM 1601 O LEU A 105 25.810 4.412 89.649 1.00 0.00 O ATOM 1602 CB LEU A 105 27.422 2.599 87.246 1.00 0.00 C ATOM 1603 CG LEU A 105 28.088 1.280 86.864 1.00 0.00 C ATOM 1604 CD1 LEU A 105 29.093 1.560 85.746 1.00 0.00 C ATOM 1605 CD2 LEU A 105 28.819 0.692 88.076 1.00 0.00 C ATOM 0 H LEU A 105 25.866 0.666 87.543 1.00 0.00 H new ATOM 0 HA LEU A 105 27.159 2.306 89.394 1.00 0.00 H new ATOM 0 HB2 LEU A 105 26.805 2.949 86.418 1.00 0.00 H new ATOM 0 HB3 LEU A 105 28.186 3.357 87.418 1.00 0.00 H new ATOM 0 HG LEU A 105 27.336 0.565 86.530 1.00 0.00 H new ATOM 0 HD11 LEU A 105 29.583 0.630 85.456 1.00 0.00 H new ATOM 0 HD12 LEU A 105 28.572 1.980 84.885 1.00 0.00 H new ATOM 0 HD13 LEU A 105 29.842 2.269 86.099 1.00 0.00 H new ATOM 0 HD21 LEU A 105 29.291 -0.249 87.795 1.00 0.00 H new ATOM 0 HD22 LEU A 105 29.581 1.393 88.417 1.00 0.00 H new ATOM 0 HD23 LEU A 105 28.105 0.513 88.880 1.00 0.00 H new ATOM 1617 N GLU A 106 25.089 4.154 87.588 1.00 0.00 N ATOM 1618 CA GLU A 106 24.353 5.448 87.627 1.00 0.00 C ATOM 1619 C GLU A 106 23.030 5.270 88.377 1.00 0.00 C ATOM 1620 O GLU A 106 22.270 6.202 88.545 1.00 0.00 O ATOM 1621 CB GLU A 106 24.139 5.925 86.169 1.00 0.00 C ATOM 1622 CG GLU A 106 22.715 6.442 85.932 1.00 0.00 C ATOM 1623 CD GLU A 106 22.582 7.864 86.476 1.00 0.00 C ATOM 1624 OE1 GLU A 106 23.348 8.222 87.358 1.00 0.00 O ATOM 1625 OE2 GLU A 106 21.710 8.571 86.003 1.00 0.00 O ATOM 0 H GLU A 106 25.018 3.642 86.709 1.00 0.00 H new ATOM 0 HA GLU A 106 24.923 6.207 88.163 1.00 0.00 H new ATOM 0 HB2 GLU A 106 24.854 6.715 85.938 1.00 0.00 H new ATOM 0 HB3 GLU A 106 24.343 5.101 85.485 1.00 0.00 H new ATOM 0 HG2 GLU A 106 22.486 6.428 84.866 1.00 0.00 H new ATOM 0 HG3 GLU A 106 21.994 5.787 86.422 1.00 0.00 H new ATOM 1632 N ALA A 107 22.750 4.076 88.830 1.00 0.00 N ATOM 1633 CA ALA A 107 21.473 3.846 89.566 1.00 0.00 C ATOM 1634 C ALA A 107 21.502 4.406 91.004 1.00 0.00 C ATOM 1635 O ALA A 107 20.554 5.034 91.425 1.00 0.00 O ATOM 1636 CB ALA A 107 21.199 2.346 89.648 1.00 0.00 C ATOM 0 H ALA A 107 23.346 3.255 88.723 1.00 0.00 H new ATOM 0 HA ALA A 107 20.692 4.369 89.014 1.00 0.00 H new ATOM 0 HB1 ALA A 107 20.266 2.175 90.186 1.00 0.00 H new ATOM 0 HB2 ALA A 107 21.118 1.935 88.642 1.00 0.00 H new ATOM 0 HB3 ALA A 107 22.017 1.855 90.176 1.00 0.00 H new ATOM 1642 N THR A 108 22.517 4.150 91.798 1.00 0.00 N ATOM 1643 CA THR A 108 22.444 4.659 93.206 1.00 0.00 C ATOM 1644 C THR A 108 23.813 4.799 93.882 1.00 0.00 C ATOM 1645 O THR A 108 24.823 5.071 93.264 1.00 0.00 O ATOM 1646 CB THR A 108 21.646 3.640 94.004 1.00 0.00 C ATOM 1647 OG1 THR A 108 21.467 4.106 95.333 1.00 0.00 O ATOM 1648 CG2 THR A 108 22.425 2.324 94.014 1.00 0.00 C ATOM 0 H THR A 108 23.360 3.633 91.547 1.00 0.00 H new ATOM 0 HA THR A 108 21.994 5.651 93.177 1.00 0.00 H new ATOM 0 HB THR A 108 20.665 3.491 93.553 1.00 0.00 H new ATOM 0 HG1 THR A 108 20.951 3.448 95.844 1.00 0.00 H new ATOM 0 HG21 THR A 108 21.870 1.577 94.582 1.00 0.00 H new ATOM 0 HG22 THR A 108 22.561 1.974 92.991 1.00 0.00 H new ATOM 0 HG23 THR A 108 23.399 2.481 94.477 1.00 0.00 H new ATOM 1656 N ASP A 109 23.817 4.591 95.182 1.00 0.00 N ATOM 1657 CA ASP A 109 25.064 4.669 95.980 1.00 0.00 C ATOM 1658 C ASP A 109 24.997 3.662 97.141 1.00 0.00 C ATOM 1659 O ASP A 109 25.954 3.498 97.872 1.00 0.00 O ATOM 1660 CB ASP A 109 25.256 6.083 96.537 1.00 0.00 C ATOM 1661 CG ASP A 109 26.706 6.250 97.008 1.00 0.00 C ATOM 1662 OD1 ASP A 109 27.578 6.338 96.159 1.00 0.00 O ATOM 1663 OD2 ASP A 109 26.920 6.282 98.209 1.00 0.00 O ATOM 0 H ASP A 109 22.983 4.366 95.725 1.00 0.00 H new ATOM 0 HA ASP A 109 25.909 4.429 95.335 1.00 0.00 H new ATOM 0 HB2 ASP A 109 25.023 6.823 95.771 1.00 0.00 H new ATOM 0 HB3 ASP A 109 24.570 6.256 97.366 1.00 0.00 H new ATOM 1668 N ASN A 110 23.900 2.951 97.301 1.00 0.00 N ATOM 1669 CA ASN A 110 23.859 1.935 98.396 1.00 0.00 C ATOM 1670 C ASN A 110 24.670 0.750 97.881 1.00 0.00 C ATOM 1671 O ASN A 110 24.614 0.416 96.716 1.00 0.00 O ATOM 1672 CB ASN A 110 22.418 1.524 98.750 1.00 0.00 C ATOM 1673 CG ASN A 110 21.779 0.787 97.585 1.00 0.00 C ATOM 1674 OD1 ASN A 110 22.297 0.916 96.407 1.00 0.00 O flip ATOM 1675 ND2 ASN A 110 20.801 0.084 97.752 1.00 0.00 N flip ATOM 0 H ASN A 110 23.055 3.030 96.735 1.00 0.00 H new ATOM 0 HA ASN A 110 24.274 2.335 99.321 1.00 0.00 H new ATOM 0 HB2 ASN A 110 22.421 0.887 99.635 1.00 0.00 H new ATOM 0 HB3 ASN A 110 21.830 2.408 98.996 1.00 0.00 H new ATOM 0 HD21 ASN A 110 20.397 -0.014 98.683 1.00 0.00 H new ATOM 0 HD22 ASN A 110 20.385 -0.408 96.961 1.00 0.00 H new ATOM 1682 N GLN A 111 25.488 0.175 98.707 1.00 0.00 N ATOM 1683 CA GLN A 111 26.389 -0.918 98.237 1.00 0.00 C ATOM 1684 C GLN A 111 25.651 -2.240 97.924 1.00 0.00 C ATOM 1685 O GLN A 111 26.279 -3.233 97.620 1.00 0.00 O ATOM 1686 CB GLN A 111 27.474 -1.125 99.299 1.00 0.00 C ATOM 1687 CG GLN A 111 28.296 -2.371 98.987 1.00 0.00 C ATOM 1688 CD GLN A 111 29.648 -2.260 99.693 1.00 0.00 C ATOM 1689 OE1 GLN A 111 30.358 -1.289 99.519 1.00 0.00 O ATOM 1690 NE2 GLN A 111 30.029 -3.210 100.497 1.00 0.00 N ATOM 0 H GLN A 111 25.576 0.412 99.695 1.00 0.00 H new ATOM 0 HA GLN A 111 26.829 -0.614 97.287 1.00 0.00 H new ATOM 0 HB2 GLN A 111 28.126 -0.252 99.336 1.00 0.00 H new ATOM 0 HB3 GLN A 111 27.015 -1.222 100.283 1.00 0.00 H new ATOM 0 HG2 GLN A 111 27.768 -3.264 99.321 1.00 0.00 H new ATOM 0 HG3 GLN A 111 28.439 -2.469 97.911 1.00 0.00 H new ATOM 0 HE21 GLN A 111 29.433 -4.025 100.643 1.00 0.00 H new ATOM 0 HE22 GLN A 111 30.924 -3.140 100.981 1.00 0.00 H new ATOM 1699 N ALA A 112 24.343 -2.276 97.946 1.00 0.00 N ATOM 1700 CA ALA A 112 23.639 -3.556 97.607 1.00 0.00 C ATOM 1701 C ALA A 112 23.472 -3.626 96.088 1.00 0.00 C ATOM 1702 O ALA A 112 23.737 -4.627 95.440 1.00 0.00 O ATOM 1703 CB ALA A 112 22.263 -3.587 98.274 1.00 0.00 C ATOM 0 H ALA A 112 23.737 -1.489 98.180 1.00 0.00 H new ATOM 0 HA ALA A 112 24.221 -4.406 97.964 1.00 0.00 H new ATOM 0 HB1 ALA A 112 21.758 -4.520 98.023 1.00 0.00 H new ATOM 0 HB2 ALA A 112 22.381 -3.518 99.355 1.00 0.00 H new ATOM 0 HB3 ALA A 112 21.668 -2.745 97.920 1.00 0.00 H new ATOM 1709 N ILE A 113 23.076 -2.534 95.529 1.00 0.00 N ATOM 1710 CA ILE A 113 22.911 -2.429 94.056 1.00 0.00 C ATOM 1711 C ILE A 113 24.293 -2.535 93.451 1.00 0.00 C ATOM 1712 O ILE A 113 24.559 -3.318 92.552 1.00 0.00 O ATOM 1713 CB ILE A 113 22.359 -1.034 93.756 1.00 0.00 C ATOM 1714 CG1 ILE A 113 20.833 -1.034 93.790 1.00 0.00 C ATOM 1715 CG2 ILE A 113 22.838 -0.555 92.388 1.00 0.00 C ATOM 1716 CD1 ILE A 113 20.339 -0.982 95.242 1.00 0.00 C ATOM 0 H ILE A 113 22.851 -1.681 96.041 1.00 0.00 H new ATOM 0 HA ILE A 113 22.248 -3.199 93.661 1.00 0.00 H new ATOM 0 HB ILE A 113 22.728 -0.355 94.525 1.00 0.00 H new ATOM 0 HG12 ILE A 113 20.449 -0.177 93.236 1.00 0.00 H new ATOM 0 HG13 ILE A 113 20.450 -1.929 93.299 1.00 0.00 H new ATOM 0 HG21 ILE A 113 22.437 0.439 92.189 1.00 0.00 H new ATOM 0 HG22 ILE A 113 23.927 -0.515 92.377 1.00 0.00 H new ATOM 0 HG23 ILE A 113 22.493 -1.246 91.619 1.00 0.00 H new ATOM 0 HD11 ILE A 113 19.249 -0.982 95.256 1.00 0.00 H new ATOM 0 HD12 ILE A 113 20.709 -1.853 95.784 1.00 0.00 H new ATOM 0 HD13 ILE A 113 20.708 -0.074 95.719 1.00 0.00 H new ATOM 1728 N LYS A 114 25.176 -1.742 93.957 1.00 0.00 N ATOM 1729 CA LYS A 114 26.552 -1.765 93.458 1.00 0.00 C ATOM 1730 C LYS A 114 27.062 -3.199 93.580 1.00 0.00 C ATOM 1731 O LYS A 114 28.078 -3.560 93.021 1.00 0.00 O ATOM 1732 CB LYS A 114 27.401 -0.786 94.272 1.00 0.00 C ATOM 1733 CG LYS A 114 26.665 0.561 94.364 1.00 0.00 C ATOM 1734 CD LYS A 114 26.662 1.254 92.995 1.00 0.00 C ATOM 1735 CE LYS A 114 26.173 2.697 93.151 1.00 0.00 C ATOM 1736 NZ LYS A 114 27.290 3.550 93.647 1.00 0.00 N ATOM 0 H LYS A 114 24.996 -1.072 94.705 1.00 0.00 H new ATOM 0 HA LYS A 114 26.608 -1.454 92.415 1.00 0.00 H new ATOM 0 HB2 LYS A 114 27.582 -1.185 95.270 1.00 0.00 H new ATOM 0 HB3 LYS A 114 28.375 -0.651 93.801 1.00 0.00 H new ATOM 0 HG2 LYS A 114 25.641 0.403 94.702 1.00 0.00 H new ATOM 0 HG3 LYS A 114 27.150 1.200 95.103 1.00 0.00 H new ATOM 0 HD2 LYS A 114 27.665 1.243 92.568 1.00 0.00 H new ATOM 0 HD3 LYS A 114 26.016 0.713 92.304 1.00 0.00 H new ATOM 0 HE2 LYS A 114 25.810 3.074 92.195 1.00 0.00 H new ATOM 0 HE3 LYS A 114 25.335 2.735 93.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 26.983 4.543 93.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 27.560 3.246 94.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 28.107 3.456 93.011 1.00 0.00 H new ATOM 1750 N ALA A 115 26.339 -4.035 94.292 1.00 0.00 N ATOM 1751 CA ALA A 115 26.763 -5.450 94.417 1.00 0.00 C ATOM 1752 C ALA A 115 26.685 -6.089 93.033 1.00 0.00 C ATOM 1753 O ALA A 115 27.474 -6.941 92.688 1.00 0.00 O ATOM 1754 CB ALA A 115 25.857 -6.217 95.385 1.00 0.00 C ATOM 0 H ALA A 115 25.480 -3.791 94.786 1.00 0.00 H new ATOM 0 HA ALA A 115 27.779 -5.488 94.810 1.00 0.00 H new ATOM 0 HB1 ALA A 115 26.193 -7.251 95.456 1.00 0.00 H new ATOM 0 HB2 ALA A 115 25.902 -5.753 96.370 1.00 0.00 H new ATOM 0 HB3 ALA A 115 24.831 -6.193 95.019 1.00 0.00 H new ATOM 1760 N LEU A 116 25.749 -5.682 92.216 1.00 0.00 N ATOM 1761 CA LEU A 116 25.694 -6.288 90.856 1.00 0.00 C ATOM 1762 C LEU A 116 26.896 -5.788 90.053 1.00 0.00 C ATOM 1763 O LEU A 116 27.392 -6.474 89.178 1.00 0.00 O ATOM 1764 CB LEU A 116 24.382 -5.909 90.142 1.00 0.00 C ATOM 1765 CG LEU A 116 23.399 -7.096 90.132 1.00 0.00 C ATOM 1766 CD1 LEU A 116 22.141 -6.709 89.354 1.00 0.00 C ATOM 1767 CD2 LEU A 116 24.038 -8.326 89.461 1.00 0.00 C ATOM 0 H LEU A 116 25.041 -4.978 92.423 1.00 0.00 H new ATOM 0 HA LEU A 116 25.726 -7.374 90.940 1.00 0.00 H new ATOM 0 HB2 LEU A 116 23.924 -5.056 90.643 1.00 0.00 H new ATOM 0 HB3 LEU A 116 24.596 -5.600 89.119 1.00 0.00 H new ATOM 0 HG LEU A 116 23.146 -7.343 91.163 1.00 0.00 H new ATOM 0 HD11 LEU A 116 21.445 -7.548 89.346 1.00 0.00 H new ATOM 0 HD12 LEU A 116 21.668 -5.850 89.830 1.00 0.00 H new ATOM 0 HD13 LEU A 116 22.411 -6.453 88.330 1.00 0.00 H new ATOM 0 HD21 LEU A 116 23.327 -9.153 89.464 1.00 0.00 H new ATOM 0 HD22 LEU A 116 24.306 -8.082 88.433 1.00 0.00 H new ATOM 0 HD23 LEU A 116 24.934 -8.616 90.010 1.00 0.00 H new ATOM 1779 N LEU A 117 27.390 -4.610 90.354 1.00 0.00 N ATOM 1780 CA LEU A 117 28.587 -4.103 89.615 1.00 0.00 C ATOM 1781 C LEU A 117 29.810 -4.783 90.223 1.00 0.00 C ATOM 1782 O LEU A 117 30.940 -4.550 89.850 1.00 0.00 O ATOM 1783 CB LEU A 117 28.661 -2.563 89.724 1.00 0.00 C ATOM 1784 CG LEU A 117 29.716 -2.091 90.746 1.00 0.00 C ATOM 1785 CD1 LEU A 117 31.113 -2.069 90.105 1.00 0.00 C ATOM 1786 CD2 LEU A 117 29.371 -0.671 91.196 1.00 0.00 C ATOM 0 H LEU A 117 27.021 -3.985 91.071 1.00 0.00 H new ATOM 0 HA LEU A 117 28.533 -4.337 88.552 1.00 0.00 H new ATOM 0 HB2 LEU A 117 28.895 -2.144 88.745 1.00 0.00 H new ATOM 0 HB3 LEU A 117 27.684 -2.175 90.011 1.00 0.00 H new ATOM 0 HG LEU A 117 29.717 -2.778 91.592 1.00 0.00 H new ATOM 0 HD11 LEU A 117 31.845 -1.734 90.840 1.00 0.00 H new ATOM 0 HD12 LEU A 117 31.373 -3.071 89.765 1.00 0.00 H new ATOM 0 HD13 LEU A 117 31.113 -1.386 89.255 1.00 0.00 H new ATOM 0 HD21 LEU A 117 30.111 -0.328 91.919 1.00 0.00 H new ATOM 0 HD22 LEU A 117 29.372 -0.005 90.333 1.00 0.00 H new ATOM 0 HD23 LEU A 117 28.384 -0.665 91.658 1.00 0.00 H new ATOM 1798 N GLN A 118 29.554 -5.654 91.154 1.00 0.00 N ATOM 1799 CA GLN A 118 30.633 -6.413 91.828 1.00 0.00 C ATOM 1800 C GLN A 118 31.200 -7.467 90.871 1.00 0.00 C ATOM 1801 O GLN A 118 30.497 -8.427 90.594 1.00 0.00 O ATOM 1802 CB GLN A 118 30.031 -7.107 93.040 1.00 0.00 C ATOM 1803 CG GLN A 118 31.132 -7.635 93.933 1.00 0.00 C ATOM 1804 CD GLN A 118 30.519 -8.269 95.182 1.00 0.00 C ATOM 1805 OE1 GLN A 118 29.332 -8.801 95.102 1.00 0.00 O flip ATOM 1806 NE2 GLN A 118 31.125 -8.281 96.237 1.00 0.00 N flip ATOM 1807 OXT GLN A 118 32.323 -7.295 90.428 1.00 0.00 O ATOM 0 H GLN A 118 28.614 -5.876 91.483 1.00 0.00 H new ATOM 0 HA GLN A 118 31.436 -5.740 92.129 1.00 0.00 H new ATOM 0 HB2 GLN A 118 29.404 -6.409 93.595 1.00 0.00 H new ATOM 0 HB3 GLN A 118 29.388 -7.926 92.718 1.00 0.00 H new ATOM 0 HG2 GLN A 118 31.729 -8.371 93.395 1.00 0.00 H new ATOM 0 HG3 GLN A 118 31.804 -6.825 94.216 1.00 0.00 H new ATOM 0 HE21 GLN A 118 32.054 -7.864 96.296 1.00 0.00 H new ATOM 0 HE22 GLN A 118 30.704 -8.708 97.062 1.00 0.00 H new