USER MOD reduce.3.24.130724 H: found=0, std=0, add=896, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 893 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 108 THR OG1 : rot 98:sc= -2.13! USER MOD Set 1.2: A 110 ASN :FLIP amide:sc= -9.63! C(o=-21!,f=-12!) USER MOD Set 2.1: A 94 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.394) USER MOD Set 2.2: A 103 THR OG1 : rot -169:sc= -0.636! USER MOD Set 3.1: A 40 HIS : no HE2:sc= -1.94! C(o=-1.9!,f=-5.5!) USER MOD Set 3.2: A 74 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 45 CYS SG : rot -7:sc= -0.933! USER MOD Single : A 4 LYS NZ :NH3+ -150:sc= -0.236 (180deg=-1.27!) USER MOD Single : A 7 MET CE :methyl -150:sc= -0.148 (180deg=-1.04) USER MOD Single : A 12 ASN : amide:sc= -0.0229 X(o=-0.023,f=-0.51) USER MOD Single : A 19 LYS NZ :NH3+ -118:sc= 0.64 (180deg=-0.209) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0335) USER MOD Single : A 29 ASN :FLIP amide:sc= -2! C(o=-6.4!,f=-2!) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.0512 USER MOD Single : A 37 LYS NZ :NH3+ -163:sc= -0.29 (180deg=-0.846) USER MOD Single : A 41 TYR OH : rot 150:sc= -1.43 USER MOD Single : A 47 GLN : amide:sc= -0.565 K(o=-0.56,f=-1.6) USER MOD Single : A 57 LYS NZ :NH3+ 159:sc= -0.0177 (180deg=-0.54) USER MOD Single : A 62 ASN :FLIP amide:sc= -0.334 F(o=-9.8!,f=-0.33) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 HIS : no HD1:sc= 0.57 K(o=0.57,f=-3.9!) USER MOD Single : A 68 HIS : no HD1:sc= -0.0731 X(o=-0.073,f=-0.54) USER MOD Single : A 70 THR OG1 : rot 106:sc= -4.13! USER MOD Single : A 77 TYR OH : rot 165:sc= -0.542 USER MOD Single : A 80 HIS : no HD1:sc= -4.04! C(o=-4!,f=-7!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot -170:sc= -1.61 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot -107:sc= 0.865 USER MOD Single : A 90 LYS NZ :NH3+ 142:sc= -1.84! (180deg=-2.7) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ -150:sc= -0.116 (180deg=-0.69) USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 LYS NZ :NH3+ 149:sc= -9.46! (180deg=-11.5!) USER MOD Single : A 118 GLN : amide:sc= -3.25! C(o=-3.2!,f=-5.2!) USER MOD ----------------------------------------------------------------- ATOM 43 N LYS A 4 -7.154 -8.266 85.972 1.00 0.00 N ATOM 44 CA LYS A 4 -7.121 -7.795 87.375 1.00 0.00 C ATOM 45 C LYS A 4 -6.561 -8.889 88.285 1.00 0.00 C ATOM 46 O LYS A 4 -5.466 -8.777 88.804 1.00 0.00 O ATOM 47 CB LYS A 4 -8.545 -7.422 87.809 1.00 0.00 C ATOM 48 CG LYS A 4 -9.128 -6.397 86.829 1.00 0.00 C ATOM 49 CD LYS A 4 -10.421 -5.806 87.403 1.00 0.00 C ATOM 50 CE LYS A 4 -10.795 -4.542 86.627 1.00 0.00 C ATOM 51 NZ LYS A 4 -9.714 -3.539 86.786 1.00 0.00 N ATOM 0 HA LYS A 4 -6.475 -6.920 87.452 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -9.173 -8.313 87.836 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -8.533 -7.010 88.818 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -8.404 -5.603 86.646 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -9.329 -6.872 85.869 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -11.227 -6.537 87.338 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -10.288 -5.571 88.459 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.938 -4.777 85.572 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -11.739 -4.140 86.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -10.118 -2.582 86.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -9.252 -3.670 87.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -9.013 -3.660 86.027 1.00 0.00 H new ATOM 65 N GLU A 5 -7.305 -9.932 88.492 1.00 0.00 N ATOM 66 CA GLU A 5 -6.829 -11.035 89.385 1.00 0.00 C ATOM 67 C GLU A 5 -5.446 -11.544 88.929 1.00 0.00 C ATOM 68 O GLU A 5 -4.701 -12.120 89.697 1.00 0.00 O ATOM 69 CB GLU A 5 -7.840 -12.187 89.333 1.00 0.00 C ATOM 70 CG GLU A 5 -7.528 -13.210 90.433 1.00 0.00 C ATOM 71 CD GLU A 5 -8.597 -14.307 90.453 1.00 0.00 C ATOM 72 OE1 GLU A 5 -9.298 -14.454 89.465 1.00 0.00 O ATOM 73 OE2 GLU A 5 -8.691 -14.981 91.462 1.00 0.00 O ATOM 0 H GLU A 5 -8.228 -10.076 88.083 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.740 -10.656 90.403 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -8.851 -11.800 89.461 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -7.804 -12.669 88.356 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -6.546 -13.652 90.261 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -7.489 -12.713 91.402 1.00 0.00 H new ATOM 80 N PHE A 6 -5.107 -11.351 87.686 1.00 0.00 N ATOM 81 CA PHE A 6 -3.787 -11.849 87.184 1.00 0.00 C ATOM 82 C PHE A 6 -2.624 -11.012 87.734 1.00 0.00 C ATOM 83 O PHE A 6 -1.763 -11.529 88.419 1.00 0.00 O ATOM 84 CB PHE A 6 -3.740 -11.808 85.653 1.00 0.00 C ATOM 85 CG PHE A 6 -2.364 -12.233 85.169 1.00 0.00 C ATOM 86 CD1 PHE A 6 -1.881 -13.516 85.456 1.00 0.00 C ATOM 87 CD2 PHE A 6 -1.572 -11.343 84.427 1.00 0.00 C ATOM 88 CE1 PHE A 6 -0.617 -13.914 84.996 1.00 0.00 C ATOM 89 CE2 PHE A 6 -0.310 -11.743 83.965 1.00 0.00 C ATOM 90 CZ PHE A 6 0.170 -13.028 84.255 1.00 0.00 C ATOM 0 H PHE A 6 -5.682 -10.872 86.993 1.00 0.00 H new ATOM 0 HA PHE A 6 -3.681 -12.877 87.531 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -4.501 -12.469 85.239 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -3.965 -10.802 85.300 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -2.484 -14.201 86.033 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -1.935 -10.349 84.212 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -0.251 -14.906 85.215 1.00 0.00 H new ATOM 0 HE2 PHE A 6 0.293 -11.060 83.385 1.00 0.00 H new ATOM 0 HZ PHE A 6 1.146 -13.333 83.907 1.00 0.00 H new ATOM 100 N MET A 7 -2.561 -9.738 87.423 1.00 0.00 N ATOM 101 CA MET A 7 -1.414 -8.919 87.922 1.00 0.00 C ATOM 102 C MET A 7 -1.523 -8.779 89.430 1.00 0.00 C ATOM 103 O MET A 7 -0.538 -8.768 90.138 1.00 0.00 O ATOM 104 CB MET A 7 -1.333 -7.535 87.203 1.00 0.00 C ATOM 105 CG MET A 7 -2.074 -6.413 87.961 1.00 0.00 C ATOM 106 SD MET A 7 -3.869 -6.667 87.845 1.00 0.00 S ATOM 107 CE MET A 7 -4.083 -6.236 86.091 1.00 0.00 C ATOM 0 H MET A 7 -3.244 -9.238 86.854 1.00 0.00 H new ATOM 0 HA MET A 7 -0.480 -9.430 87.686 1.00 0.00 H new ATOM 0 HB2 MET A 7 -0.286 -7.255 87.084 1.00 0.00 H new ATOM 0 HB3 MET A 7 -1.754 -7.628 86.202 1.00 0.00 H new ATOM 0 HG2 MET A 7 -1.766 -6.404 89.007 1.00 0.00 H new ATOM 0 HG3 MET A 7 -1.808 -5.442 87.542 1.00 0.00 H new ATOM 0 HE1 MET A 7 -5.077 -5.815 85.938 1.00 0.00 H new ATOM 0 HE2 MET A 7 -3.330 -5.502 85.802 1.00 0.00 H new ATOM 0 HE3 MET A 7 -3.970 -7.132 85.480 1.00 0.00 H new ATOM 117 N TRP A 8 -2.712 -8.705 89.928 1.00 0.00 N ATOM 118 CA TRP A 8 -2.891 -8.594 91.390 1.00 0.00 C ATOM 119 C TRP A 8 -2.056 -9.659 92.100 1.00 0.00 C ATOM 120 O TRP A 8 -1.843 -9.596 93.286 1.00 0.00 O ATOM 121 CB TRP A 8 -4.359 -8.787 91.737 1.00 0.00 C ATOM 122 CG TRP A 8 -4.559 -8.455 93.175 1.00 0.00 C ATOM 123 CD1 TRP A 8 -4.787 -9.356 94.160 1.00 0.00 C ATOM 124 CD2 TRP A 8 -4.538 -7.148 93.812 1.00 0.00 C ATOM 125 NE1 TRP A 8 -4.906 -8.682 95.364 1.00 0.00 N ATOM 126 CE2 TRP A 8 -4.770 -7.321 95.200 1.00 0.00 C ATOM 127 CE3 TRP A 8 -4.350 -5.843 93.327 1.00 0.00 C ATOM 128 CZ2 TRP A 8 -4.810 -6.237 96.073 1.00 0.00 C ATOM 129 CZ3 TRP A 8 -4.388 -4.749 94.203 1.00 0.00 C ATOM 130 CH2 TRP A 8 -4.621 -4.945 95.572 1.00 0.00 C ATOM 0 H TRP A 8 -3.574 -8.717 89.383 1.00 0.00 H new ATOM 0 HA TRP A 8 -2.564 -7.607 91.716 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -4.982 -8.148 91.112 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -4.661 -9.816 91.541 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -4.864 -10.425 94.028 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -5.074 -9.137 96.261 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -4.175 -5.682 92.274 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -4.985 -6.392 97.127 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -4.237 -3.750 93.822 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -4.655 -4.097 96.240 1.00 0.00 H new ATOM 141 N ALA A 9 -1.589 -10.647 91.388 1.00 0.00 N ATOM 142 CA ALA A 9 -0.789 -11.715 92.031 1.00 0.00 C ATOM 143 C ALA A 9 0.701 -11.357 92.035 1.00 0.00 C ATOM 144 O ALA A 9 1.361 -11.457 93.052 1.00 0.00 O ATOM 145 CB ALA A 9 -1.010 -13.006 91.268 1.00 0.00 C ATOM 0 H ALA A 9 -1.730 -10.757 90.384 1.00 0.00 H new ATOM 0 HA ALA A 9 -1.107 -11.829 93.067 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.428 -13.805 91.728 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.068 -13.267 91.293 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -0.693 -12.876 90.233 1.00 0.00 H new ATOM 151 N LEU A 10 1.247 -10.936 90.922 1.00 0.00 N ATOM 152 CA LEU A 10 2.700 -10.584 90.913 1.00 0.00 C ATOM 153 C LEU A 10 2.962 -9.576 92.031 1.00 0.00 C ATOM 154 O LEU A 10 4.084 -9.242 92.346 1.00 0.00 O ATOM 155 CB LEU A 10 3.104 -9.937 89.575 1.00 0.00 C ATOM 156 CG LEU A 10 3.035 -10.957 88.407 1.00 0.00 C ATOM 157 CD1 LEU A 10 1.709 -10.845 87.666 1.00 0.00 C ATOM 158 CD2 LEU A 10 4.125 -10.679 87.379 1.00 0.00 C ATOM 0 H LEU A 10 0.760 -10.822 90.033 1.00 0.00 H new ATOM 0 HA LEU A 10 3.281 -11.495 91.054 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.445 -9.095 89.363 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.116 -9.539 89.653 1.00 0.00 H new ATOM 0 HG LEU A 10 3.155 -11.946 88.850 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.685 -11.570 86.852 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.889 -11.046 88.355 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.603 -9.839 87.259 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.056 -11.407 86.570 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.997 -9.675 86.975 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.102 -10.757 87.855 1.00 0.00 H new ATOM 170 N LYS A 11 1.919 -9.058 92.585 1.00 0.00 N ATOM 171 CA LYS A 11 2.034 -8.014 93.640 1.00 0.00 C ATOM 172 C LYS A 11 2.140 -8.597 95.061 1.00 0.00 C ATOM 173 O LYS A 11 3.174 -8.524 95.698 1.00 0.00 O ATOM 174 CB LYS A 11 0.762 -7.181 93.543 1.00 0.00 C ATOM 175 CG LYS A 11 0.585 -6.252 94.760 1.00 0.00 C ATOM 176 CD LYS A 11 1.857 -5.436 95.037 1.00 0.00 C ATOM 177 CE LYS A 11 1.562 -4.443 96.154 1.00 0.00 C ATOM 178 NZ LYS A 11 2.844 -3.949 96.718 1.00 0.00 N ATOM 0 H LYS A 11 0.961 -9.316 92.350 1.00 0.00 H new ATOM 0 HA LYS A 11 2.945 -7.438 93.477 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.789 -6.583 92.632 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.100 -7.844 93.464 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -0.251 -5.575 94.584 1.00 0.00 H new ATOM 0 HG3 LYS A 11 0.334 -6.846 95.639 1.00 0.00 H new ATOM 0 HD2 LYS A 11 2.675 -6.096 95.324 1.00 0.00 H new ATOM 0 HD3 LYS A 11 2.173 -4.910 94.136 1.00 0.00 H new ATOM 0 HE2 LYS A 11 0.974 -3.609 95.770 1.00 0.00 H new ATOM 0 HE3 LYS A 11 0.968 -4.920 96.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 2.649 -3.270 97.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 3.388 -4.750 97.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 3.394 -3.480 95.970 1.00 0.00 H new ATOM 192 N ASN A 12 1.055 -9.100 95.581 1.00 0.00 N ATOM 193 CA ASN A 12 1.040 -9.599 96.983 1.00 0.00 C ATOM 194 C ASN A 12 1.659 -10.987 97.087 1.00 0.00 C ATOM 195 O ASN A 12 1.543 -11.651 98.100 1.00 0.00 O ATOM 196 CB ASN A 12 -0.423 -9.631 97.459 1.00 0.00 C ATOM 197 CG ASN A 12 -0.771 -8.324 98.185 1.00 0.00 C ATOM 198 OD1 ASN A 12 -1.195 -7.365 97.569 1.00 0.00 O ATOM 199 ND2 ASN A 12 -0.631 -8.251 99.484 1.00 0.00 N ATOM 0 H ASN A 12 0.167 -9.187 95.087 1.00 0.00 H new ATOM 0 HA ASN A 12 1.634 -8.935 97.611 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -1.088 -9.771 96.607 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -0.578 -10.479 98.126 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -0.877 -7.392 99.976 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -0.276 -9.053 100.005 1.00 0.00 H new ATOM 206 N GLY A 13 2.336 -11.418 96.077 1.00 0.00 N ATOM 207 CA GLY A 13 2.979 -12.735 96.152 1.00 0.00 C ATOM 208 C GLY A 13 1.958 -13.857 95.964 1.00 0.00 C ATOM 209 O GLY A 13 2.225 -14.985 96.326 1.00 0.00 O ATOM 0 H GLY A 13 2.471 -10.912 95.202 1.00 0.00 H new ATOM 0 HA2 GLY A 13 3.752 -12.810 95.387 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.474 -12.847 97.117 1.00 0.00 H new ATOM 213 N ASP A 14 0.807 -13.587 95.388 1.00 0.00 N ATOM 214 CA ASP A 14 -0.161 -14.684 95.172 1.00 0.00 C ATOM 215 C ASP A 14 0.417 -15.555 94.075 1.00 0.00 C ATOM 216 O ASP A 14 -0.175 -15.821 93.047 1.00 0.00 O ATOM 217 CB ASP A 14 -1.528 -14.139 94.768 1.00 0.00 C ATOM 218 CG ASP A 14 -1.791 -12.799 95.479 1.00 0.00 C ATOM 219 OD1 ASP A 14 -0.979 -11.900 95.326 1.00 0.00 O ATOM 220 OD2 ASP A 14 -2.797 -12.699 96.167 1.00 0.00 O ATOM 0 H ASP A 14 0.510 -12.666 95.067 1.00 0.00 H new ATOM 0 HA ASP A 14 -0.314 -15.254 96.088 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.569 -14.001 93.688 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.306 -14.857 95.027 1.00 0.00 H new ATOM 225 N LEU A 15 1.606 -15.964 94.321 1.00 0.00 N ATOM 226 CA LEU A 15 2.370 -16.793 93.386 1.00 0.00 C ATOM 227 C LEU A 15 1.537 -17.991 92.940 1.00 0.00 C ATOM 228 O LEU A 15 1.713 -18.537 91.870 1.00 0.00 O ATOM 229 CB LEU A 15 3.620 -17.223 94.155 1.00 0.00 C ATOM 230 CG LEU A 15 4.554 -18.090 93.312 1.00 0.00 C ATOM 231 CD1 LEU A 15 4.018 -19.528 93.175 1.00 0.00 C ATOM 232 CD2 LEU A 15 4.730 -17.458 91.927 1.00 0.00 C ATOM 0 H LEU A 15 2.107 -15.744 95.182 1.00 0.00 H new ATOM 0 HA LEU A 15 2.638 -16.257 92.476 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.158 -16.337 94.493 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.323 -17.775 95.047 1.00 0.00 H new ATOM 0 HG LEU A 15 5.519 -18.143 93.816 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.707 -20.117 92.569 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.928 -19.978 94.163 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.040 -19.507 92.695 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.396 -18.077 91.327 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.760 -17.385 91.434 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.159 -16.461 92.034 1.00 0.00 H new ATOM 244 N ASP A 16 0.630 -18.396 93.753 1.00 0.00 N ATOM 245 CA ASP A 16 -0.225 -19.531 93.406 1.00 0.00 C ATOM 246 C ASP A 16 -1.139 -19.134 92.246 1.00 0.00 C ATOM 247 O ASP A 16 -1.493 -19.951 91.428 1.00 0.00 O ATOM 248 CB ASP A 16 -1.047 -19.891 94.636 1.00 0.00 C ATOM 249 CG ASP A 16 -0.125 -20.483 95.706 1.00 0.00 C ATOM 250 OD1 ASP A 16 0.294 -21.619 95.546 1.00 0.00 O ATOM 251 OD2 ASP A 16 0.154 -19.785 96.669 1.00 0.00 O ATOM 0 H ASP A 16 0.442 -17.978 94.664 1.00 0.00 H new ATOM 0 HA ASP A 16 0.370 -20.391 93.098 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.550 -19.005 95.023 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.824 -20.609 94.371 1.00 0.00 H new ATOM 256 N GLU A 17 -1.536 -17.885 92.175 1.00 0.00 N ATOM 257 CA GLU A 17 -2.448 -17.444 91.075 1.00 0.00 C ATOM 258 C GLU A 17 -1.692 -17.274 89.756 1.00 0.00 C ATOM 259 O GLU A 17 -2.154 -17.706 88.715 1.00 0.00 O ATOM 260 CB GLU A 17 -3.088 -16.109 91.465 1.00 0.00 C ATOM 261 CG GLU A 17 -4.223 -16.363 92.461 1.00 0.00 C ATOM 262 CD GLU A 17 -4.828 -15.030 92.892 1.00 0.00 C ATOM 263 OE1 GLU A 17 -4.110 -14.048 92.880 1.00 0.00 O ATOM 264 OE2 GLU A 17 -6.000 -15.018 93.227 1.00 0.00 O ATOM 0 H GLU A 17 -1.267 -17.153 92.832 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.211 -18.209 90.933 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.341 -15.450 91.908 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.473 -15.604 90.579 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.988 -16.991 92.005 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.845 -16.901 93.330 1.00 0.00 H new ATOM 271 N VAL A 18 -0.545 -16.658 89.777 1.00 0.00 N ATOM 272 CA VAL A 18 0.215 -16.475 88.508 1.00 0.00 C ATOM 273 C VAL A 18 0.671 -17.848 88.031 1.00 0.00 C ATOM 274 O VAL A 18 0.769 -18.104 86.849 1.00 0.00 O ATOM 275 CB VAL A 18 1.456 -15.586 88.770 1.00 0.00 C ATOM 276 CG1 VAL A 18 1.178 -14.093 88.484 1.00 0.00 C ATOM 277 CG2 VAL A 18 1.865 -15.736 90.230 1.00 0.00 C ATOM 0 H VAL A 18 -0.102 -16.275 90.612 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.413 -15.997 87.756 1.00 0.00 H new ATOM 0 HB VAL A 18 2.249 -15.913 88.098 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.078 -13.511 88.682 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.889 -13.970 87.440 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.371 -13.743 89.127 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.738 -15.115 90.429 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.042 -15.422 90.872 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.107 -16.779 90.435 1.00 0.00 H new ATOM 287 N LYS A 19 0.945 -18.737 88.943 1.00 0.00 N ATOM 288 CA LYS A 19 1.386 -20.082 88.540 1.00 0.00 C ATOM 289 C LYS A 19 0.283 -20.725 87.706 1.00 0.00 C ATOM 290 O LYS A 19 0.539 -21.499 86.808 1.00 0.00 O ATOM 291 CB LYS A 19 1.655 -20.890 89.809 1.00 0.00 C ATOM 292 CG LYS A 19 2.319 -22.237 89.477 1.00 0.00 C ATOM 293 CD LYS A 19 3.206 -22.679 90.661 1.00 0.00 C ATOM 294 CE LYS A 19 4.582 -21.994 90.586 1.00 0.00 C ATOM 295 NZ LYS A 19 5.575 -22.960 90.053 1.00 0.00 N ATOM 0 H LYS A 19 0.880 -18.582 89.949 1.00 0.00 H new ATOM 0 HA LYS A 19 2.296 -20.043 87.941 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.299 -20.319 90.478 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.718 -21.063 90.339 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.557 -22.991 89.278 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.920 -22.145 88.573 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.718 -22.427 91.603 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.330 -23.762 90.646 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.530 -21.115 89.944 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.885 -21.649 91.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.312 -23.130 90.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.100 -23.857 89.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.010 -22.571 89.192 1.00 0.00 H new ATOM 309 N ASP A 20 -0.940 -20.414 87.999 1.00 0.00 N ATOM 310 CA ASP A 20 -2.066 -21.016 87.241 1.00 0.00 C ATOM 311 C ASP A 20 -2.084 -20.545 85.775 1.00 0.00 C ATOM 312 O ASP A 20 -2.073 -21.344 84.853 1.00 0.00 O ATOM 313 CB ASP A 20 -3.380 -20.625 87.917 1.00 0.00 C ATOM 314 CG ASP A 20 -4.547 -21.287 87.178 1.00 0.00 C ATOM 315 OD1 ASP A 20 -4.339 -22.356 86.632 1.00 0.00 O ATOM 316 OD2 ASP A 20 -5.624 -20.712 87.166 1.00 0.00 O ATOM 0 H ASP A 20 -1.213 -19.764 88.736 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.939 -22.099 87.240 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.372 -20.937 88.961 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.498 -19.541 87.909 1.00 0.00 H new ATOM 321 N TYR A 21 -2.138 -19.267 85.543 1.00 0.00 N ATOM 322 CA TYR A 21 -2.179 -18.773 84.137 1.00 0.00 C ATOM 323 C TYR A 21 -0.924 -19.247 83.388 1.00 0.00 C ATOM 324 O TYR A 21 -0.986 -19.673 82.251 1.00 0.00 O ATOM 325 CB TYR A 21 -2.233 -17.243 84.145 1.00 0.00 C ATOM 326 CG TYR A 21 -3.602 -16.793 84.586 1.00 0.00 C ATOM 327 CD1 TYR A 21 -3.862 -16.577 85.940 1.00 0.00 C ATOM 328 CD2 TYR A 21 -4.612 -16.585 83.639 1.00 0.00 C ATOM 329 CE1 TYR A 21 -5.129 -16.152 86.349 1.00 0.00 C ATOM 330 CE2 TYR A 21 -5.883 -16.161 84.046 1.00 0.00 C ATOM 331 CZ TYR A 21 -6.141 -15.944 85.405 1.00 0.00 C ATOM 332 OH TYR A 21 -7.386 -15.510 85.822 1.00 0.00 O ATOM 0 H TYR A 21 -2.156 -18.543 86.261 1.00 0.00 H new ATOM 0 HA TYR A 21 -3.063 -19.166 83.634 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.473 -16.845 84.817 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -2.013 -16.855 83.150 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -3.084 -16.738 86.672 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -4.410 -16.752 82.591 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -5.328 -15.984 87.397 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -6.661 -16.002 83.314 1.00 0.00 H new ATOM 0 HH TYR A 21 -7.976 -15.413 85.045 1.00 0.00 H new ATOM 342 N VAL A 22 0.215 -19.176 84.016 1.00 0.00 N ATOM 343 CA VAL A 22 1.471 -19.623 83.347 1.00 0.00 C ATOM 344 C VAL A 22 1.501 -21.150 83.244 1.00 0.00 C ATOM 345 O VAL A 22 2.186 -21.709 82.408 1.00 0.00 O ATOM 346 CB VAL A 22 2.676 -19.128 84.151 1.00 0.00 C ATOM 347 CG1 VAL A 22 3.967 -19.811 83.678 1.00 0.00 C ATOM 348 CG2 VAL A 22 2.805 -17.616 83.975 1.00 0.00 C ATOM 0 H VAL A 22 0.332 -18.827 84.967 1.00 0.00 H new ATOM 0 HA VAL A 22 1.510 -19.207 82.340 1.00 0.00 H new ATOM 0 HB VAL A 22 2.523 -19.373 85.202 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.809 -19.443 84.264 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.877 -20.889 83.809 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.133 -19.586 82.624 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.661 -17.255 84.545 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.947 -17.383 82.920 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.899 -17.129 84.335 1.00 0.00 H new ATOM 358 N ALA A 23 0.770 -21.835 84.085 1.00 0.00 N ATOM 359 CA ALA A 23 0.767 -23.323 84.023 1.00 0.00 C ATOM 360 C ALA A 23 0.216 -23.757 82.670 1.00 0.00 C ATOM 361 O ALA A 23 0.416 -24.866 82.221 1.00 0.00 O ATOM 362 CB ALA A 23 -0.143 -23.872 85.120 1.00 0.00 C ATOM 0 H ALA A 23 0.178 -21.428 84.809 1.00 0.00 H new ATOM 0 HA ALA A 23 1.781 -23.700 84.159 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.148 -24.961 85.078 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.225 -23.548 86.094 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.156 -23.499 84.973 1.00 0.00 H new ATOM 368 N LYS A 24 -0.482 -22.879 82.022 1.00 0.00 N ATOM 369 CA LYS A 24 -1.066 -23.211 80.692 1.00 0.00 C ATOM 370 C LYS A 24 0.047 -23.695 79.750 1.00 0.00 C ATOM 371 O LYS A 24 0.083 -24.849 79.365 1.00 0.00 O ATOM 372 CB LYS A 24 -1.735 -21.959 80.099 1.00 0.00 C ATOM 373 CG LYS A 24 -3.181 -21.829 80.606 1.00 0.00 C ATOM 374 CD LYS A 24 -3.229 -22.016 82.132 1.00 0.00 C ATOM 375 CE LYS A 24 -4.521 -21.418 82.694 1.00 0.00 C ATOM 376 NZ LYS A 24 -5.685 -22.227 82.225 1.00 0.00 N ATOM 0 H LYS A 24 -0.678 -21.935 82.355 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.810 -23.999 80.808 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -1.166 -21.071 80.374 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -1.729 -22.017 79.011 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.581 -20.850 80.340 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.812 -22.574 80.121 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.172 -23.076 82.378 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.366 -21.535 82.593 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.486 -21.407 83.783 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -4.628 -20.383 82.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.548 -21.908 82.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.801 -22.106 81.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.518 -23.231 82.438 1.00 0.00 H new ATOM 390 N GLY A 25 0.949 -22.832 79.371 1.00 0.00 N ATOM 391 CA GLY A 25 2.036 -23.266 78.455 1.00 0.00 C ATOM 392 C GLY A 25 3.067 -22.158 78.248 1.00 0.00 C ATOM 393 O GLY A 25 3.017 -21.409 77.292 1.00 0.00 O ATOM 0 H GLY A 25 0.979 -21.853 79.654 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.527 -24.150 78.863 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.610 -23.553 77.493 1.00 0.00 H new ATOM 397 N GLU A 26 4.023 -22.092 79.127 1.00 0.00 N ATOM 398 CA GLU A 26 5.123 -21.079 79.014 1.00 0.00 C ATOM 399 C GLU A 26 4.615 -19.762 78.436 1.00 0.00 C ATOM 400 O GLU A 26 5.089 -19.305 77.421 1.00 0.00 O ATOM 401 CB GLU A 26 6.262 -21.623 78.131 1.00 0.00 C ATOM 402 CG GLU A 26 5.736 -22.117 76.778 1.00 0.00 C ATOM 403 CD GLU A 26 6.919 -22.547 75.899 1.00 0.00 C ATOM 404 OE1 GLU A 26 7.746 -23.312 76.381 1.00 0.00 O ATOM 405 OE2 GLU A 26 6.982 -22.105 74.763 1.00 0.00 O ATOM 0 H GLU A 26 4.096 -22.707 79.938 1.00 0.00 H new ATOM 0 HA GLU A 26 5.498 -20.889 80.020 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.005 -20.841 77.971 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.766 -22.440 78.647 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.054 -22.954 76.924 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.170 -21.327 76.285 1.00 0.00 H new ATOM 412 N ASP A 27 3.679 -19.137 79.090 1.00 0.00 N ATOM 413 CA ASP A 27 3.160 -17.830 78.596 1.00 0.00 C ATOM 414 C ASP A 27 3.734 -16.718 79.483 1.00 0.00 C ATOM 415 O ASP A 27 3.030 -15.835 79.925 1.00 0.00 O ATOM 416 CB ASP A 27 1.633 -17.835 78.690 1.00 0.00 C ATOM 417 CG ASP A 27 1.048 -18.753 77.610 1.00 0.00 C ATOM 418 OD1 ASP A 27 1.731 -18.994 76.630 1.00 0.00 O ATOM 419 OD2 ASP A 27 -0.076 -19.196 77.780 1.00 0.00 O ATOM 0 H ASP A 27 3.248 -19.476 79.950 1.00 0.00 H new ATOM 0 HA ASP A 27 3.454 -17.664 77.560 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.322 -18.176 79.677 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.249 -16.822 78.566 1.00 0.00 H new ATOM 424 N VAL A 28 5.014 -16.779 79.766 1.00 0.00 N ATOM 425 CA VAL A 28 5.654 -15.760 80.655 1.00 0.00 C ATOM 426 C VAL A 28 6.350 -14.672 79.847 1.00 0.00 C ATOM 427 O VAL A 28 7.543 -14.458 79.952 1.00 0.00 O ATOM 428 CB VAL A 28 6.655 -16.474 81.537 1.00 0.00 C ATOM 429 CG1 VAL A 28 5.867 -17.398 82.461 1.00 0.00 C ATOM 430 CG2 VAL A 28 7.627 -17.301 80.687 1.00 0.00 C ATOM 0 H VAL A 28 5.647 -17.498 79.415 1.00 0.00 H new ATOM 0 HA VAL A 28 4.887 -15.273 81.257 1.00 0.00 H new ATOM 0 HB VAL A 28 7.239 -15.752 82.108 1.00 0.00 H new ATOM 0 HG11 VAL A 28 6.556 -17.933 83.115 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.178 -16.807 83.065 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.303 -18.115 81.864 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.340 -17.807 81.338 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.069 -18.042 80.114 1.00 0.00 H new ATOM 0 HG23 VAL A 28 8.164 -16.643 80.004 1.00 0.00 H new ATOM 440 N ASN A 29 5.591 -13.974 79.055 1.00 0.00 N ATOM 441 CA ASN A 29 6.143 -12.885 78.216 1.00 0.00 C ATOM 442 C ASN A 29 4.974 -12.168 77.528 1.00 0.00 C ATOM 443 O ASN A 29 4.997 -11.920 76.343 1.00 0.00 O ATOM 444 CB ASN A 29 7.084 -13.490 77.164 1.00 0.00 C ATOM 445 CG ASN A 29 6.543 -14.842 76.706 1.00 0.00 C ATOM 446 OD1 ASN A 29 6.658 -15.870 77.489 1.00 0.00 O flip ATOM 447 ND2 ASN A 29 6.024 -14.966 75.619 1.00 0.00 N flip ATOM 0 H ASN A 29 4.586 -14.118 78.953 1.00 0.00 H new ATOM 0 HA ASN A 29 6.703 -12.175 78.825 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.174 -12.816 76.312 1.00 0.00 H new ATOM 0 HB3 ASN A 29 8.083 -13.610 77.582 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.933 -14.159 75.002 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.678 -15.878 75.320 1.00 0.00 H new ATOM 454 N ARG A 30 3.944 -11.840 78.277 1.00 0.00 N ATOM 455 CA ARG A 30 2.761 -11.147 77.692 1.00 0.00 C ATOM 456 C ARG A 30 2.726 -9.694 78.175 1.00 0.00 C ATOM 457 O ARG A 30 2.897 -9.419 79.344 1.00 0.00 O ATOM 458 CB ARG A 30 1.490 -11.863 78.167 1.00 0.00 C ATOM 459 CG ARG A 30 1.489 -13.318 77.662 1.00 0.00 C ATOM 460 CD ARG A 30 0.062 -13.850 77.603 1.00 0.00 C ATOM 461 NE ARG A 30 -0.718 -13.367 78.794 1.00 0.00 N ATOM 462 CZ ARG A 30 -0.300 -13.557 80.026 1.00 0.00 C ATOM 463 NH1 ARG A 30 0.736 -14.323 80.262 1.00 0.00 N ATOM 464 NH2 ARG A 30 -0.973 -13.030 81.026 1.00 0.00 N ATOM 0 H ARG A 30 3.878 -12.027 79.277 1.00 0.00 H new ATOM 0 HA ARG A 30 2.823 -11.165 76.604 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.438 -11.847 79.256 1.00 0.00 H new ATOM 0 HB3 ARG A 30 0.608 -11.340 77.798 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.946 -13.369 76.674 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.091 -13.941 78.323 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -0.420 -13.518 76.684 1.00 0.00 H new ATOM 0 HD3 ARG A 30 0.072 -14.940 77.583 1.00 0.00 H new ATOM 0 HE ARG A 30 -1.599 -12.876 78.641 1.00 0.00 H new ATOM 0 HH11 ARG A 30 1.223 -14.775 79.488 1.00 0.00 H new ATOM 0 HH12 ARG A 30 1.056 -14.467 81.220 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -1.812 -12.479 80.842 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -0.656 -13.172 81.985 1.00 0.00 H new ATOM 478 N THR A 31 2.494 -8.762 77.293 1.00 0.00 N ATOM 479 CA THR A 31 2.443 -7.346 77.726 1.00 0.00 C ATOM 480 C THR A 31 1.365 -7.208 78.809 1.00 0.00 C ATOM 481 O THR A 31 0.181 -7.229 78.538 1.00 0.00 O ATOM 482 CB THR A 31 2.122 -6.447 76.525 1.00 0.00 C ATOM 483 OG1 THR A 31 2.635 -7.043 75.346 1.00 0.00 O ATOM 484 CG2 THR A 31 2.779 -5.080 76.719 1.00 0.00 C ATOM 0 H THR A 31 2.339 -8.922 76.298 1.00 0.00 H new ATOM 0 HA THR A 31 3.407 -7.039 78.132 1.00 0.00 H new ATOM 0 HB THR A 31 1.042 -6.326 76.441 1.00 0.00 H new ATOM 0 HG1 THR A 31 2.431 -6.473 74.576 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.550 -4.442 75.865 1.00 0.00 H new ATOM 0 HG22 THR A 31 2.397 -4.619 77.630 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.859 -5.204 76.801 1.00 0.00 H new ATOM 492 N LEU A 32 1.776 -7.099 80.037 1.00 0.00 N ATOM 493 CA LEU A 32 0.806 -6.999 81.154 1.00 0.00 C ATOM 494 C LEU A 32 -0.283 -5.973 80.812 1.00 0.00 C ATOM 495 O LEU A 32 -1.316 -6.311 80.254 1.00 0.00 O ATOM 496 CB LEU A 32 1.571 -6.602 82.448 1.00 0.00 C ATOM 497 CG LEU A 32 1.448 -7.701 83.520 1.00 0.00 C ATOM 498 CD1 LEU A 32 2.454 -7.458 84.655 1.00 0.00 C ATOM 499 CD2 LEU A 32 0.041 -7.664 84.110 1.00 0.00 C ATOM 0 H LEU A 32 2.756 -7.075 80.317 1.00 0.00 H new ATOM 0 HA LEU A 32 0.316 -7.959 81.315 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.622 -6.431 82.216 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.174 -5.664 82.836 1.00 0.00 H new ATOM 0 HG LEU A 32 1.650 -8.667 83.057 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.354 -8.243 85.404 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.467 -7.468 84.252 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.256 -6.490 85.115 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.055 -8.439 84.870 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.139 -6.688 84.562 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.690 -7.838 83.320 1.00 0.00 H new ATOM 511 N GLU A 33 -0.083 -4.738 81.165 1.00 0.00 N ATOM 512 CA GLU A 33 -1.113 -3.700 80.900 1.00 0.00 C ATOM 513 C GLU A 33 -1.053 -3.210 79.443 1.00 0.00 C ATOM 514 O GLU A 33 -2.056 -3.200 78.750 1.00 0.00 O ATOM 515 CB GLU A 33 -0.886 -2.551 81.897 1.00 0.00 C ATOM 516 CG GLU A 33 0.071 -1.491 81.332 1.00 0.00 C ATOM 517 CD GLU A 33 0.348 -0.441 82.404 1.00 0.00 C ATOM 518 OE1 GLU A 33 0.325 -0.788 83.570 1.00 0.00 O ATOM 519 OE2 GLU A 33 0.571 0.702 82.032 1.00 0.00 O ATOM 0 H GLU A 33 0.759 -4.399 81.631 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.111 -4.116 81.037 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.841 -2.086 82.141 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.480 -2.950 82.826 1.00 0.00 H new ATOM 0 HG2 GLU A 33 1.003 -1.958 81.014 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -0.367 -1.022 80.451 1.00 0.00 H new ATOM 526 N GLY A 34 0.093 -2.797 78.966 1.00 0.00 N ATOM 527 CA GLY A 34 0.157 -2.310 77.560 1.00 0.00 C ATOM 528 C GLY A 34 1.607 -2.229 77.085 1.00 0.00 C ATOM 529 O GLY A 34 1.880 -2.164 75.902 1.00 0.00 O ATOM 0 H GLY A 34 0.973 -2.776 79.481 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.407 -2.980 76.911 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.311 -1.328 77.488 1.00 0.00 H new ATOM 533 N GLY A 35 2.534 -2.242 77.993 1.00 0.00 N ATOM 534 CA GLY A 35 3.972 -2.181 77.608 1.00 0.00 C ATOM 535 C GLY A 35 4.809 -2.642 78.806 1.00 0.00 C ATOM 536 O GLY A 35 5.801 -2.034 79.151 1.00 0.00 O ATOM 0 H GLY A 35 2.359 -2.293 78.997 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.162 -2.818 76.744 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.246 -1.166 77.321 1.00 0.00 H new ATOM 540 N ARG A 36 4.389 -3.709 79.452 1.00 0.00 N ATOM 541 CA ARG A 36 5.126 -4.225 80.644 1.00 0.00 C ATOM 542 C ARG A 36 5.058 -5.757 80.662 1.00 0.00 C ATOM 543 O ARG A 36 4.096 -6.351 80.233 1.00 0.00 O ATOM 544 CB ARG A 36 4.487 -3.657 81.915 1.00 0.00 C ATOM 545 CG ARG A 36 4.079 -2.208 81.652 1.00 0.00 C ATOM 546 CD ARG A 36 3.599 -1.546 82.949 1.00 0.00 C ATOM 547 NE ARG A 36 3.739 -0.067 82.827 1.00 0.00 N ATOM 548 CZ ARG A 36 3.128 0.734 83.666 1.00 0.00 C ATOM 549 NH1 ARG A 36 2.388 0.246 84.638 1.00 0.00 N ATOM 550 NH2 ARG A 36 3.267 2.030 83.528 1.00 0.00 N ATOM 0 H ARG A 36 3.559 -4.245 79.198 1.00 0.00 H new ATOM 0 HA ARG A 36 6.170 -3.916 80.597 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.617 -4.249 82.198 1.00 0.00 H new ATOM 0 HB3 ARG A 36 5.190 -3.707 82.746 1.00 0.00 H new ATOM 0 HG2 ARG A 36 4.924 -1.654 81.244 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.286 -2.176 80.905 1.00 0.00 H new ATOM 0 HD2 ARG A 36 2.559 -1.810 83.143 1.00 0.00 H new ATOM 0 HD3 ARG A 36 4.183 -1.910 83.794 1.00 0.00 H new ATOM 0 HE ARG A 36 4.316 0.326 82.083 1.00 0.00 H new ATOM 0 HH11 ARG A 36 2.286 -0.763 84.744 1.00 0.00 H new ATOM 0 HH12 ARG A 36 1.916 0.877 85.286 1.00 0.00 H new ATOM 0 HH21 ARG A 36 3.845 2.404 82.775 1.00 0.00 H new ATOM 0 HH22 ARG A 36 2.797 2.665 84.174 1.00 0.00 H new ATOM 564 N LYS A 37 6.081 -6.385 81.155 1.00 0.00 N ATOM 565 CA LYS A 37 6.127 -7.888 81.211 1.00 0.00 C ATOM 566 C LYS A 37 5.800 -8.343 82.655 1.00 0.00 C ATOM 567 O LYS A 37 5.602 -7.498 83.508 1.00 0.00 O ATOM 568 CB LYS A 37 7.532 -8.337 80.769 1.00 0.00 C ATOM 569 CG LYS A 37 8.536 -8.324 81.933 1.00 0.00 C ATOM 570 CD LYS A 37 8.614 -6.926 82.569 1.00 0.00 C ATOM 571 CE LYS A 37 9.158 -5.897 81.560 1.00 0.00 C ATOM 572 NZ LYS A 37 10.332 -6.461 80.835 1.00 0.00 N ATOM 0 H LYS A 37 6.908 -5.922 81.531 1.00 0.00 H new ATOM 0 HA LYS A 37 5.392 -8.341 80.545 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.476 -9.342 80.350 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.889 -7.681 79.975 1.00 0.00 H new ATOM 0 HG2 LYS A 37 8.238 -9.055 82.685 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.521 -8.621 81.573 1.00 0.00 H new ATOM 0 HD2 LYS A 37 7.625 -6.620 82.910 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.258 -6.956 83.448 1.00 0.00 H new ATOM 0 HE2 LYS A 37 8.378 -5.626 80.849 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.447 -4.984 82.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.862 -5.690 80.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.950 -6.957 81.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 10.003 -7.130 80.109 1.00 0.00 H new ATOM 586 N PRO A 38 5.699 -9.639 82.913 1.00 0.00 N ATOM 587 CA PRO A 38 5.351 -10.119 84.263 1.00 0.00 C ATOM 588 C PRO A 38 6.600 -10.276 85.154 1.00 0.00 C ATOM 589 O PRO A 38 6.619 -11.120 86.018 1.00 0.00 O ATOM 590 CB PRO A 38 4.701 -11.492 84.004 1.00 0.00 C ATOM 591 CG PRO A 38 5.169 -11.951 82.595 1.00 0.00 C ATOM 592 CD PRO A 38 5.889 -10.736 81.933 1.00 0.00 C ATOM 0 HA PRO A 38 4.700 -9.423 84.791 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.002 -12.212 84.765 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.614 -11.419 84.046 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.844 -12.804 82.672 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.319 -12.271 81.992 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.946 -10.941 81.762 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.451 -10.489 80.966 1.00 0.00 H new ATOM 600 N LEU A 39 7.636 -9.476 84.967 1.00 0.00 N ATOM 601 CA LEU A 39 8.860 -9.605 85.826 1.00 0.00 C ATOM 602 C LEU A 39 9.032 -8.304 86.600 1.00 0.00 C ATOM 603 O LEU A 39 9.629 -8.263 87.657 1.00 0.00 O ATOM 604 CB LEU A 39 10.081 -9.812 84.910 1.00 0.00 C ATOM 605 CG LEU A 39 11.354 -10.355 85.639 1.00 0.00 C ATOM 606 CD1 LEU A 39 11.072 -11.038 86.973 1.00 0.00 C ATOM 607 CD2 LEU A 39 12.052 -11.359 84.722 1.00 0.00 C ATOM 0 H LEU A 39 7.682 -8.744 84.258 1.00 0.00 H new ATOM 0 HA LEU A 39 8.766 -10.446 86.514 1.00 0.00 H new ATOM 0 HB2 LEU A 39 9.809 -10.506 84.115 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.327 -8.863 84.434 1.00 0.00 H new ATOM 0 HG LEU A 39 11.975 -9.487 85.858 1.00 0.00 H new ATOM 0 HD11 LEU A 39 12.009 -11.384 87.410 1.00 0.00 H new ATOM 0 HD12 LEU A 39 10.595 -10.330 87.651 1.00 0.00 H new ATOM 0 HD13 LEU A 39 10.410 -11.889 86.813 1.00 0.00 H new ATOM 0 HD21 LEU A 39 12.942 -11.746 85.217 1.00 0.00 H new ATOM 0 HD22 LEU A 39 11.373 -12.182 84.500 1.00 0.00 H new ATOM 0 HD23 LEU A 39 12.339 -10.865 83.794 1.00 0.00 H new ATOM 619 N HIS A 40 8.523 -7.234 86.065 1.00 0.00 N ATOM 620 CA HIS A 40 8.664 -5.930 86.748 1.00 0.00 C ATOM 621 C HIS A 40 7.800 -5.931 88.007 1.00 0.00 C ATOM 622 O HIS A 40 8.231 -5.498 89.056 1.00 0.00 O ATOM 623 CB HIS A 40 8.193 -4.810 85.825 1.00 0.00 C ATOM 624 CG HIS A 40 8.497 -3.479 86.447 1.00 0.00 C ATOM 625 ND1 HIS A 40 8.161 -3.178 87.757 1.00 0.00 N ATOM 626 CD2 HIS A 40 9.106 -2.355 85.946 1.00 0.00 C ATOM 627 CE1 HIS A 40 8.564 -1.916 88.002 1.00 0.00 C ATOM 628 NE2 HIS A 40 9.144 -1.368 86.930 1.00 0.00 N ATOM 0 H HIS A 40 8.014 -7.210 85.181 1.00 0.00 H new ATOM 0 HA HIS A 40 9.710 -5.770 87.009 1.00 0.00 H new ATOM 0 HB2 HIS A 40 8.688 -4.891 84.857 1.00 0.00 H new ATOM 0 HB3 HIS A 40 7.122 -4.901 85.644 1.00 0.00 H new ATOM 0 HD1 HIS A 40 7.693 -3.800 88.417 1.00 0.00 H new ATOM 0 HD2 HIS A 40 9.496 -2.251 84.944 1.00 0.00 H new ATOM 0 HE1 HIS A 40 8.434 -1.410 88.947 1.00 0.00 H new ATOM 636 N TYR A 41 6.589 -6.427 87.930 1.00 0.00 N ATOM 637 CA TYR A 41 5.737 -6.459 89.152 1.00 0.00 C ATOM 638 C TYR A 41 6.298 -7.517 90.085 1.00 0.00 C ATOM 639 O TYR A 41 6.363 -7.336 91.281 1.00 0.00 O ATOM 640 CB TYR A 41 4.301 -6.793 88.780 1.00 0.00 C ATOM 641 CG TYR A 41 3.800 -5.745 87.827 1.00 0.00 C ATOM 642 CD1 TYR A 41 4.197 -5.803 86.497 1.00 0.00 C ATOM 643 CD2 TYR A 41 2.943 -4.730 88.263 1.00 0.00 C ATOM 644 CE1 TYR A 41 3.742 -4.849 85.585 1.00 0.00 C ATOM 645 CE2 TYR A 41 2.486 -3.772 87.356 1.00 0.00 C ATOM 646 CZ TYR A 41 2.885 -3.831 86.013 1.00 0.00 C ATOM 647 OH TYR A 41 2.431 -2.887 85.115 1.00 0.00 O ATOM 0 H TYR A 41 6.161 -6.805 87.085 1.00 0.00 H new ATOM 0 HA TYR A 41 5.740 -5.485 89.642 1.00 0.00 H new ATOM 0 HB2 TYR A 41 4.249 -7.780 88.320 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.676 -6.824 89.672 1.00 0.00 H new ATOM 0 HD1 TYR A 41 4.860 -6.589 86.167 1.00 0.00 H new ATOM 0 HD2 TYR A 41 2.636 -4.687 89.297 1.00 0.00 H new ATOM 0 HE1 TYR A 41 4.051 -4.897 84.551 1.00 0.00 H new ATOM 0 HE2 TYR A 41 1.825 -2.985 87.689 1.00 0.00 H new ATOM 0 HH TYR A 41 1.544 -2.574 85.390 1.00 0.00 H new ATOM 657 N ALA A 42 6.761 -8.606 89.542 1.00 0.00 N ATOM 658 CA ALA A 42 7.361 -9.640 90.403 1.00 0.00 C ATOM 659 C ALA A 42 8.599 -8.984 91.015 1.00 0.00 C ATOM 660 O ALA A 42 8.700 -8.766 92.205 1.00 0.00 O ATOM 661 CB ALA A 42 7.753 -10.868 89.553 1.00 0.00 C ATOM 0 H ALA A 42 6.747 -8.818 88.544 1.00 0.00 H new ATOM 0 HA ALA A 42 6.674 -9.992 91.172 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.196 -11.629 90.196 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.865 -11.274 89.069 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.475 -10.569 88.793 1.00 0.00 H new ATOM 667 N ALA A 43 9.518 -8.618 90.191 1.00 0.00 N ATOM 668 CA ALA A 43 10.733 -7.938 90.675 1.00 0.00 C ATOM 669 C ALA A 43 10.346 -6.808 91.643 1.00 0.00 C ATOM 670 O ALA A 43 10.729 -6.804 92.800 1.00 0.00 O ATOM 671 CB ALA A 43 11.427 -7.349 89.450 1.00 0.00 C ATOM 0 H ALA A 43 9.480 -8.763 89.182 1.00 0.00 H new ATOM 0 HA ALA A 43 11.387 -8.632 91.203 1.00 0.00 H new ATOM 0 HB1 ALA A 43 12.336 -6.833 89.760 1.00 0.00 H new ATOM 0 HB2 ALA A 43 11.683 -8.150 88.756 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.759 -6.642 88.958 1.00 0.00 H new ATOM 677 N ASP A 44 9.615 -5.845 91.169 1.00 0.00 N ATOM 678 CA ASP A 44 9.224 -4.683 92.010 1.00 0.00 C ATOM 679 C ASP A 44 8.463 -5.089 93.281 1.00 0.00 C ATOM 680 O ASP A 44 8.614 -4.476 94.316 1.00 0.00 O ATOM 681 CB ASP A 44 8.330 -3.784 91.181 1.00 0.00 C ATOM 682 CG ASP A 44 7.981 -2.542 91.992 1.00 0.00 C ATOM 683 OD1 ASP A 44 8.423 -2.463 93.124 1.00 0.00 O ATOM 684 OD2 ASP A 44 7.286 -1.692 91.467 1.00 0.00 O ATOM 0 H ASP A 44 9.263 -5.812 90.212 1.00 0.00 H new ATOM 0 HA ASP A 44 10.138 -4.180 92.327 1.00 0.00 H new ATOM 0 HB2 ASP A 44 8.835 -3.500 90.257 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.422 -4.315 90.898 1.00 0.00 H new ATOM 689 N CYS A 45 7.634 -6.085 93.227 1.00 0.00 N ATOM 690 CA CYS A 45 6.869 -6.461 94.450 1.00 0.00 C ATOM 691 C CYS A 45 6.424 -7.911 94.334 1.00 0.00 C ATOM 692 O CYS A 45 5.249 -8.213 94.395 1.00 0.00 O ATOM 693 CB CYS A 45 5.609 -5.595 94.566 1.00 0.00 C ATOM 694 SG CYS A 45 6.050 -3.838 94.609 1.00 0.00 S ATOM 0 H CYS A 45 7.450 -6.653 92.400 1.00 0.00 H new ATOM 0 HA CYS A 45 7.507 -6.316 95.322 1.00 0.00 H new ATOM 0 HB2 CYS A 45 4.948 -5.790 93.722 1.00 0.00 H new ATOM 0 HB3 CYS A 45 5.060 -5.861 95.469 1.00 0.00 H new ATOM 0 HG CYS A 45 7.342 -3.717 94.678 1.00 0.00 H new ATOM 700 N GLY A 46 7.350 -8.804 94.145 1.00 0.00 N ATOM 701 CA GLY A 46 6.988 -10.255 93.998 1.00 0.00 C ATOM 702 C GLY A 46 7.432 -11.055 95.224 1.00 0.00 C ATOM 703 O GLY A 46 7.631 -12.254 95.153 1.00 0.00 O ATOM 0 H GLY A 46 8.348 -8.600 94.084 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.911 -10.354 93.865 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.458 -10.662 93.103 1.00 0.00 H new ATOM 707 N GLN A 47 7.603 -10.415 96.344 1.00 0.00 N ATOM 708 CA GLN A 47 8.055 -11.160 97.551 1.00 0.00 C ATOM 709 C GLN A 47 9.320 -11.950 97.169 1.00 0.00 C ATOM 710 O GLN A 47 9.781 -12.823 97.881 1.00 0.00 O ATOM 711 CB GLN A 47 6.940 -12.094 98.038 1.00 0.00 C ATOM 712 CG GLN A 47 5.617 -11.313 98.152 1.00 0.00 C ATOM 713 CD GLN A 47 5.836 -9.984 98.895 1.00 0.00 C ATOM 714 OE1 GLN A 47 6.606 -9.913 99.828 1.00 0.00 O ATOM 715 NE2 GLN A 47 5.177 -8.915 98.515 1.00 0.00 N ATOM 0 H GLN A 47 7.451 -9.415 96.477 1.00 0.00 H new ATOM 0 HA GLN A 47 8.285 -10.475 98.367 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.822 -12.927 97.345 1.00 0.00 H new ATOM 0 HB3 GLN A 47 7.206 -12.519 99.006 1.00 0.00 H new ATOM 0 HG2 GLN A 47 5.216 -11.118 97.157 1.00 0.00 H new ATOM 0 HG3 GLN A 47 4.878 -11.914 98.681 1.00 0.00 H new ATOM 0 HE21 GLN A 47 4.527 -8.968 97.730 1.00 0.00 H new ATOM 0 HE22 GLN A 47 5.314 -8.031 99.004 1.00 0.00 H new ATOM 724 N LEU A 48 9.886 -11.580 96.038 1.00 0.00 N ATOM 725 CA LEU A 48 11.153 -12.187 95.507 1.00 0.00 C ATOM 726 C LEU A 48 11.021 -13.685 95.176 1.00 0.00 C ATOM 727 O LEU A 48 11.984 -14.348 94.836 1.00 0.00 O ATOM 728 CB LEU A 48 12.273 -11.974 96.514 1.00 0.00 C ATOM 729 CG LEU A 48 12.723 -10.480 96.615 1.00 0.00 C ATOM 730 CD1 LEU A 48 12.055 -9.532 95.589 1.00 0.00 C ATOM 731 CD2 LEU A 48 12.443 -9.955 98.025 1.00 0.00 C ATOM 0 H LEU A 48 9.502 -10.850 95.438 1.00 0.00 H new ATOM 0 HA LEU A 48 11.380 -11.684 94.567 1.00 0.00 H new ATOM 0 HB2 LEU A 48 11.943 -12.316 97.495 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.129 -12.588 96.234 1.00 0.00 H new ATOM 0 HG LEU A 48 13.789 -10.480 96.386 1.00 0.00 H new ATOM 0 HD11 LEU A 48 12.428 -8.518 95.734 1.00 0.00 H new ATOM 0 HD12 LEU A 48 12.292 -9.864 94.578 1.00 0.00 H new ATOM 0 HD13 LEU A 48 10.974 -9.545 95.731 1.00 0.00 H new ATOM 0 HD21 LEU A 48 12.757 -8.914 98.094 1.00 0.00 H new ATOM 0 HD22 LEU A 48 11.376 -10.027 98.235 1.00 0.00 H new ATOM 0 HD23 LEU A 48 12.997 -10.550 98.751 1.00 0.00 H new ATOM 743 N GLU A 49 9.844 -14.201 95.223 1.00 0.00 N ATOM 744 CA GLU A 49 9.620 -15.633 94.859 1.00 0.00 C ATOM 745 C GLU A 49 9.017 -15.655 93.462 1.00 0.00 C ATOM 746 O GLU A 49 9.360 -16.454 92.615 1.00 0.00 O ATOM 747 CB GLU A 49 8.668 -16.281 95.879 1.00 0.00 C ATOM 748 CG GLU A 49 7.803 -15.203 96.538 1.00 0.00 C ATOM 749 CD GLU A 49 6.753 -15.853 97.442 1.00 0.00 C ATOM 750 OE1 GLU A 49 7.140 -16.529 98.375 1.00 0.00 O ATOM 751 OE2 GLU A 49 5.574 -15.653 97.187 1.00 0.00 O ATOM 0 H GLU A 49 9.004 -13.694 95.501 1.00 0.00 H new ATOM 0 HA GLU A 49 10.553 -16.196 94.871 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.034 -17.016 95.383 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.241 -16.814 96.637 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.430 -14.529 97.122 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.313 -14.601 95.773 1.00 0.00 H new ATOM 758 N ILE A 50 8.108 -14.762 93.231 1.00 0.00 N ATOM 759 CA ILE A 50 7.438 -14.689 91.920 1.00 0.00 C ATOM 760 C ILE A 50 8.442 -14.422 90.796 1.00 0.00 C ATOM 761 O ILE A 50 8.354 -15.017 89.746 1.00 0.00 O ATOM 762 CB ILE A 50 6.382 -13.581 91.987 1.00 0.00 C ATOM 763 CG1 ILE A 50 5.457 -13.857 93.232 1.00 0.00 C ATOM 764 CG2 ILE A 50 5.613 -13.527 90.654 1.00 0.00 C ATOM 765 CD1 ILE A 50 3.933 -13.759 92.940 1.00 0.00 C ATOM 0 H ILE A 50 7.797 -14.067 93.910 1.00 0.00 H new ATOM 0 HA ILE A 50 6.963 -15.644 91.696 1.00 0.00 H new ATOM 0 HB ILE A 50 6.834 -12.599 92.123 1.00 0.00 H new ATOM 0 HG12 ILE A 50 5.676 -14.853 93.618 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.709 -13.147 94.020 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.861 -12.739 90.699 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.308 -13.318 89.841 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.124 -14.485 90.477 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.374 -13.964 93.853 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.694 -12.756 92.585 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.661 -14.488 92.177 1.00 0.00 H new ATOM 777 N LEU A 51 9.382 -13.538 90.968 1.00 0.00 N ATOM 778 CA LEU A 51 10.317 -13.278 89.838 1.00 0.00 C ATOM 779 C LEU A 51 10.986 -14.579 89.415 1.00 0.00 C ATOM 780 O LEU A 51 10.955 -14.947 88.264 1.00 0.00 O ATOM 781 CB LEU A 51 11.388 -12.196 90.142 1.00 0.00 C ATOM 782 CG LEU A 51 11.563 -11.901 91.630 1.00 0.00 C ATOM 783 CD1 LEU A 51 10.246 -11.398 92.261 1.00 0.00 C ATOM 784 CD2 LEU A 51 12.084 -13.154 92.341 1.00 0.00 C ATOM 0 H LEU A 51 9.543 -12.996 91.817 1.00 0.00 H new ATOM 0 HA LEU A 51 9.713 -12.878 89.023 1.00 0.00 H new ATOM 0 HB2 LEU A 51 12.344 -12.519 89.731 1.00 0.00 H new ATOM 0 HB3 LEU A 51 11.115 -11.274 89.628 1.00 0.00 H new ATOM 0 HG LEU A 51 12.294 -11.102 91.749 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.404 -11.197 93.321 1.00 0.00 H new ATOM 0 HD12 LEU A 51 9.929 -10.483 91.761 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.474 -12.159 92.147 1.00 0.00 H new ATOM 0 HD21 LEU A 51 12.209 -12.944 93.403 1.00 0.00 H new ATOM 0 HD22 LEU A 51 11.370 -13.968 92.214 1.00 0.00 H new ATOM 0 HD23 LEU A 51 13.044 -13.443 91.913 1.00 0.00 H new ATOM 796 N GLU A 52 11.584 -15.293 90.307 1.00 0.00 N ATOM 797 CA GLU A 52 12.227 -16.572 89.891 1.00 0.00 C ATOM 798 C GLU A 52 11.220 -17.448 89.119 1.00 0.00 C ATOM 799 O GLU A 52 11.597 -18.189 88.232 1.00 0.00 O ATOM 800 CB GLU A 52 12.700 -17.356 91.128 1.00 0.00 C ATOM 801 CG GLU A 52 13.312 -16.433 92.184 1.00 0.00 C ATOM 802 CD GLU A 52 13.874 -17.303 93.308 1.00 0.00 C ATOM 803 OE1 GLU A 52 14.357 -18.388 93.009 1.00 0.00 O ATOM 804 OE2 GLU A 52 13.789 -16.890 94.451 1.00 0.00 O ATOM 0 H GLU A 52 11.661 -15.059 91.297 1.00 0.00 H new ATOM 0 HA GLU A 52 13.078 -16.332 89.254 1.00 0.00 H new ATOM 0 HB2 GLU A 52 11.858 -17.896 91.561 1.00 0.00 H new ATOM 0 HB3 GLU A 52 13.435 -18.102 90.827 1.00 0.00 H new ATOM 0 HG2 GLU A 52 14.101 -15.823 91.745 1.00 0.00 H new ATOM 0 HG3 GLU A 52 12.559 -15.748 92.573 1.00 0.00 H new ATOM 811 N PHE A 53 9.950 -17.405 89.479 1.00 0.00 N ATOM 812 CA PHE A 53 8.936 -18.279 88.805 1.00 0.00 C ATOM 813 C PHE A 53 8.774 -17.990 87.305 1.00 0.00 C ATOM 814 O PHE A 53 9.199 -18.763 86.474 1.00 0.00 O ATOM 815 CB PHE A 53 7.571 -18.110 89.472 1.00 0.00 C ATOM 816 CG PHE A 53 6.540 -18.834 88.650 1.00 0.00 C ATOM 817 CD1 PHE A 53 6.633 -20.220 88.464 1.00 0.00 C ATOM 818 CD2 PHE A 53 5.516 -18.114 88.039 1.00 0.00 C ATOM 819 CE1 PHE A 53 5.693 -20.884 87.665 1.00 0.00 C ATOM 820 CE2 PHE A 53 4.576 -18.773 87.249 1.00 0.00 C ATOM 821 CZ PHE A 53 4.668 -20.158 87.057 1.00 0.00 C ATOM 0 H PHE A 53 9.577 -16.800 90.211 1.00 0.00 H new ATOM 0 HA PHE A 53 9.308 -19.298 88.910 1.00 0.00 H new ATOM 0 HB2 PHE A 53 7.594 -18.509 90.486 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.317 -17.053 89.551 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.429 -20.776 88.937 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.451 -17.045 88.178 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.761 -21.952 87.520 1.00 0.00 H new ATOM 0 HE2 PHE A 53 3.776 -18.216 86.784 1.00 0.00 H new ATOM 0 HZ PHE A 53 3.944 -20.665 86.437 1.00 0.00 H new ATOM 831 N LEU A 54 8.083 -16.943 86.943 1.00 0.00 N ATOM 832 CA LEU A 54 7.845 -16.706 85.497 1.00 0.00 C ATOM 833 C LEU A 54 9.180 -16.657 84.748 1.00 0.00 C ATOM 834 O LEU A 54 9.235 -16.784 83.535 1.00 0.00 O ATOM 835 CB LEU A 54 6.982 -15.448 85.270 1.00 0.00 C ATOM 836 CG LEU A 54 7.727 -14.139 85.555 1.00 0.00 C ATOM 837 CD1 LEU A 54 8.403 -14.206 86.897 1.00 0.00 C ATOM 838 CD2 LEU A 54 8.775 -13.810 84.473 1.00 0.00 C ATOM 0 H LEU A 54 7.680 -16.253 87.577 1.00 0.00 H new ATOM 0 HA LEU A 54 7.273 -17.539 85.088 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.629 -15.440 84.239 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.100 -15.502 85.908 1.00 0.00 H new ATOM 0 HG LEU A 54 6.981 -13.344 85.550 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.928 -13.270 87.087 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.655 -14.366 87.674 1.00 0.00 H new ATOM 0 HD13 LEU A 54 9.116 -15.030 86.904 1.00 0.00 H new ATOM 0 HD21 LEU A 54 9.274 -12.874 84.722 1.00 0.00 H new ATOM 0 HD22 LEU A 54 9.512 -14.612 84.424 1.00 0.00 H new ATOM 0 HD23 LEU A 54 8.281 -13.712 83.506 1.00 0.00 H new ATOM 850 N LEU A 55 10.254 -16.537 85.473 1.00 0.00 N ATOM 851 CA LEU A 55 11.612 -16.542 84.841 1.00 0.00 C ATOM 852 C LEU A 55 12.066 -18.013 84.710 1.00 0.00 C ATOM 853 O LEU A 55 12.781 -18.386 83.804 1.00 0.00 O ATOM 854 CB LEU A 55 12.568 -15.749 85.748 1.00 0.00 C ATOM 855 CG LEU A 55 13.656 -15.075 84.911 1.00 0.00 C ATOM 856 CD1 LEU A 55 14.562 -14.235 85.821 1.00 0.00 C ATOM 857 CD2 LEU A 55 14.501 -16.142 84.217 1.00 0.00 C ATOM 0 H LEU A 55 10.255 -16.434 86.488 1.00 0.00 H new ATOM 0 HA LEU A 55 11.603 -16.081 83.854 1.00 0.00 H new ATOM 0 HB2 LEU A 55 12.011 -14.997 86.306 1.00 0.00 H new ATOM 0 HB3 LEU A 55 13.023 -16.416 86.480 1.00 0.00 H new ATOM 0 HG LEU A 55 13.187 -14.432 84.166 1.00 0.00 H new ATOM 0 HD11 LEU A 55 15.336 -13.756 85.222 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.967 -13.472 86.322 1.00 0.00 H new ATOM 0 HD13 LEU A 55 15.027 -14.880 86.567 1.00 0.00 H new ATOM 0 HD21 LEU A 55 15.276 -15.661 83.621 1.00 0.00 H new ATOM 0 HD22 LEU A 55 14.965 -16.783 84.967 1.00 0.00 H new ATOM 0 HD23 LEU A 55 13.865 -16.744 83.568 1.00 0.00 H new ATOM 869 N LEU A 56 11.604 -18.841 85.605 1.00 0.00 N ATOM 870 CA LEU A 56 11.927 -20.292 85.575 1.00 0.00 C ATOM 871 C LEU A 56 11.488 -20.855 84.229 1.00 0.00 C ATOM 872 O LEU A 56 12.247 -21.486 83.516 1.00 0.00 O ATOM 873 CB LEU A 56 11.122 -20.988 86.693 1.00 0.00 C ATOM 874 CG LEU A 56 11.838 -22.246 87.212 1.00 0.00 C ATOM 875 CD1 LEU A 56 12.198 -23.176 86.049 1.00 0.00 C ATOM 876 CD2 LEU A 56 13.115 -21.861 87.980 1.00 0.00 C ATOM 0 H LEU A 56 10.999 -18.562 86.377 1.00 0.00 H new ATOM 0 HA LEU A 56 12.995 -20.454 85.720 1.00 0.00 H new ATOM 0 HB2 LEU A 56 10.967 -20.292 87.517 1.00 0.00 H new ATOM 0 HB3 LEU A 56 10.136 -21.260 86.316 1.00 0.00 H new ATOM 0 HG LEU A 56 11.160 -22.768 87.888 1.00 0.00 H new ATOM 0 HD11 LEU A 56 12.704 -24.061 86.434 1.00 0.00 H new ATOM 0 HD12 LEU A 56 11.289 -23.476 85.528 1.00 0.00 H new ATOM 0 HD13 LEU A 56 12.858 -22.654 85.356 1.00 0.00 H new ATOM 0 HD21 LEU A 56 13.609 -22.763 88.340 1.00 0.00 H new ATOM 0 HD22 LEU A 56 13.789 -21.319 87.317 1.00 0.00 H new ATOM 0 HD23 LEU A 56 12.853 -21.228 88.828 1.00 0.00 H new ATOM 888 N LYS A 57 10.255 -20.616 83.890 1.00 0.00 N ATOM 889 CA LYS A 57 9.701 -21.111 82.606 1.00 0.00 C ATOM 890 C LYS A 57 10.448 -20.437 81.470 1.00 0.00 C ATOM 891 O LYS A 57 11.573 -20.785 81.165 1.00 0.00 O ATOM 892 CB LYS A 57 8.207 -20.755 82.547 1.00 0.00 C ATOM 893 CG LYS A 57 7.407 -21.726 83.437 1.00 0.00 C ATOM 894 CD LYS A 57 7.060 -22.988 82.640 1.00 0.00 C ATOM 895 CE LYS A 57 6.676 -24.117 83.598 1.00 0.00 C ATOM 896 NZ LYS A 57 5.681 -23.594 84.571 1.00 0.00 N ATOM 0 H LYS A 57 9.596 -20.088 84.462 1.00 0.00 H new ATOM 0 HA LYS A 57 9.815 -22.192 82.522 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.054 -19.729 82.882 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.850 -20.811 81.519 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.990 -21.990 84.320 1.00 0.00 H new ATOM 0 HG3 LYS A 57 6.495 -21.244 83.790 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.236 -22.783 81.957 1.00 0.00 H new ATOM 0 HD3 LYS A 57 7.912 -23.290 82.030 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.258 -24.958 83.044 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.558 -24.487 84.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 5.151 -24.387 84.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.173 -23.074 85.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.021 -22.955 84.083 1.00 0.00 H new ATOM 910 N GLY A 58 9.853 -19.456 80.861 1.00 0.00 N ATOM 911 CA GLY A 58 10.550 -18.742 79.774 1.00 0.00 C ATOM 912 C GLY A 58 11.593 -17.848 80.421 1.00 0.00 C ATOM 913 O GLY A 58 12.298 -18.273 81.311 1.00 0.00 O ATOM 0 H GLY A 58 8.913 -19.120 81.072 1.00 0.00 H new ATOM 0 HA2 GLY A 58 11.020 -19.448 79.089 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.846 -18.151 79.189 1.00 0.00 H new ATOM 917 N ALA A 59 11.684 -16.612 80.025 1.00 0.00 N ATOM 918 CA ALA A 59 12.676 -15.707 80.674 1.00 0.00 C ATOM 919 C ALA A 59 12.622 -14.328 80.045 1.00 0.00 C ATOM 920 O ALA A 59 13.400 -13.982 79.180 1.00 0.00 O ATOM 921 CB ALA A 59 14.081 -16.261 80.540 1.00 0.00 C ATOM 0 H ALA A 59 11.121 -16.189 79.287 1.00 0.00 H new ATOM 0 HA ALA A 59 12.421 -15.636 81.731 1.00 0.00 H new ATOM 0 HB1 ALA A 59 14.787 -15.584 81.021 1.00 0.00 H new ATOM 0 HB2 ALA A 59 14.134 -17.239 81.018 1.00 0.00 H new ATOM 0 HB3 ALA A 59 14.334 -16.359 79.484 1.00 0.00 H new ATOM 927 N ASP A 60 11.707 -13.536 80.510 1.00 0.00 N ATOM 928 CA ASP A 60 11.553 -12.148 80.002 1.00 0.00 C ATOM 929 C ASP A 60 12.647 -11.282 80.635 1.00 0.00 C ATOM 930 O ASP A 60 12.660 -10.072 80.525 1.00 0.00 O ATOM 931 CB ASP A 60 10.159 -11.634 80.393 1.00 0.00 C ATOM 932 CG ASP A 60 9.759 -10.470 79.480 1.00 0.00 C ATOM 933 OD1 ASP A 60 10.405 -9.437 79.545 1.00 0.00 O ATOM 934 OD2 ASP A 60 8.805 -10.629 78.734 1.00 0.00 O ATOM 0 H ASP A 60 11.042 -13.796 81.238 1.00 0.00 H new ATOM 0 HA ASP A 60 11.649 -12.111 78.917 1.00 0.00 H new ATOM 0 HB2 ASP A 60 9.429 -12.439 80.312 1.00 0.00 H new ATOM 0 HB3 ASP A 60 10.160 -11.308 81.433 1.00 0.00 H new ATOM 939 N ILE A 61 13.553 -11.930 81.305 1.00 0.00 N ATOM 940 CA ILE A 61 14.685 -11.258 82.006 1.00 0.00 C ATOM 941 C ILE A 61 15.545 -10.435 81.043 1.00 0.00 C ATOM 942 O ILE A 61 16.292 -9.560 81.439 1.00 0.00 O ATOM 943 CB ILE A 61 15.530 -12.391 82.564 1.00 0.00 C ATOM 944 CG1 ILE A 61 16.644 -11.858 83.469 1.00 0.00 C ATOM 945 CG2 ILE A 61 16.136 -13.181 81.394 1.00 0.00 C ATOM 946 CD1 ILE A 61 17.647 -12.993 83.764 1.00 0.00 C ATOM 0 H ILE A 61 13.557 -12.945 81.401 1.00 0.00 H new ATOM 0 HA ILE A 61 14.312 -10.573 82.767 1.00 0.00 H new ATOM 0 HB ILE A 61 14.895 -13.041 83.167 1.00 0.00 H new ATOM 0 HG12 ILE A 61 17.153 -11.024 82.986 1.00 0.00 H new ATOM 0 HG13 ILE A 61 16.222 -11.479 84.400 1.00 0.00 H new ATOM 0 HG21 ILE A 61 16.745 -13.997 81.783 1.00 0.00 H new ATOM 0 HG22 ILE A 61 15.335 -13.588 80.776 1.00 0.00 H new ATOM 0 HG23 ILE A 61 16.758 -12.519 80.792 1.00 0.00 H new ATOM 0 HD11 ILE A 61 18.442 -12.618 84.408 1.00 0.00 H new ATOM 0 HD12 ILE A 61 17.132 -13.813 84.264 1.00 0.00 H new ATOM 0 HD13 ILE A 61 18.077 -13.351 82.828 1.00 0.00 H new ATOM 958 N ASN A 62 15.468 -10.743 79.795 1.00 0.00 N ATOM 959 CA ASN A 62 16.304 -10.042 78.780 1.00 0.00 C ATOM 960 C ASN A 62 15.417 -9.590 77.620 1.00 0.00 C ATOM 961 O ASN A 62 15.597 -8.525 77.067 1.00 0.00 O ATOM 962 CB ASN A 62 17.373 -11.025 78.276 1.00 0.00 C ATOM 963 CG ASN A 62 16.698 -12.273 77.689 1.00 0.00 C ATOM 964 OD1 ASN A 62 15.640 -12.783 78.269 1.00 0.00 O flip ATOM 965 ND2 ASN A 62 17.144 -12.792 76.684 1.00 0.00 N flip ATOM 0 H ASN A 62 14.852 -11.463 79.417 1.00 0.00 H new ATOM 0 HA ASN A 62 16.784 -9.166 79.216 1.00 0.00 H new ATOM 0 HB2 ASN A 62 17.993 -10.545 77.518 1.00 0.00 H new ATOM 0 HB3 ASN A 62 18.034 -11.309 79.095 1.00 0.00 H new ATOM 0 HD21 ASN A 62 17.968 -12.398 76.229 1.00 0.00 H new ATOM 0 HD22 ASN A 62 16.694 -13.621 76.296 1.00 0.00 H new ATOM 972 N ALA A 63 14.454 -10.402 77.277 1.00 0.00 N ATOM 973 CA ALA A 63 13.494 -10.085 76.152 1.00 0.00 C ATOM 974 C ALA A 63 13.466 -8.578 75.792 1.00 0.00 C ATOM 975 O ALA A 63 13.756 -8.238 74.656 1.00 0.00 O ATOM 976 CB ALA A 63 12.072 -10.560 76.524 1.00 0.00 C ATOM 0 H ALA A 63 14.279 -11.297 77.734 1.00 0.00 H new ATOM 0 HA ALA A 63 13.850 -10.618 75.271 1.00 0.00 H new ATOM 0 HB1 ALA A 63 11.386 -10.328 75.709 1.00 0.00 H new ATOM 0 HB2 ALA A 63 12.081 -11.636 76.696 1.00 0.00 H new ATOM 0 HB3 ALA A 63 11.744 -10.051 77.430 1.00 0.00 H new ATOM 982 N PRO A 64 13.100 -7.712 76.731 1.00 0.00 N ATOM 983 CA PRO A 64 13.003 -6.262 76.525 1.00 0.00 C ATOM 984 C PRO A 64 13.543 -5.735 75.197 1.00 0.00 C ATOM 985 O PRO A 64 14.610 -6.071 74.740 1.00 0.00 O ATOM 986 CB PRO A 64 13.711 -5.731 77.762 1.00 0.00 C ATOM 987 CG PRO A 64 13.398 -6.785 78.873 1.00 0.00 C ATOM 988 CD PRO A 64 12.824 -8.028 78.139 1.00 0.00 C ATOM 0 HA PRO A 64 11.973 -5.920 76.427 1.00 0.00 H new ATOM 0 HB2 PRO A 64 14.784 -5.636 77.595 1.00 0.00 H new ATOM 0 HB3 PRO A 64 13.343 -4.743 78.037 1.00 0.00 H new ATOM 0 HG2 PRO A 64 14.299 -7.043 79.430 1.00 0.00 H new ATOM 0 HG3 PRO A 64 12.680 -6.391 79.592 1.00 0.00 H new ATOM 0 HD2 PRO A 64 13.315 -8.949 78.453 1.00 0.00 H new ATOM 0 HD3 PRO A 64 11.758 -8.155 78.326 1.00 0.00 H new ATOM 996 N ASP A 65 12.759 -4.867 74.592 1.00 0.00 N ATOM 997 CA ASP A 65 13.139 -4.244 73.294 1.00 0.00 C ATOM 998 C ASP A 65 12.728 -2.776 73.342 1.00 0.00 C ATOM 999 O ASP A 65 13.523 -1.887 73.106 1.00 0.00 O ATOM 1000 CB ASP A 65 12.402 -4.932 72.145 1.00 0.00 C ATOM 1001 CG ASP A 65 13.090 -6.250 71.802 1.00 0.00 C ATOM 1002 OD1 ASP A 65 12.764 -7.243 72.430 1.00 0.00 O ATOM 1003 OD2 ASP A 65 13.929 -6.243 70.915 1.00 0.00 O ATOM 0 H ASP A 65 11.856 -4.564 74.957 1.00 0.00 H new ATOM 0 HA ASP A 65 14.212 -4.344 73.132 1.00 0.00 H new ATOM 0 HB2 ASP A 65 11.365 -5.115 72.425 1.00 0.00 H new ATOM 0 HB3 ASP A 65 12.386 -4.282 71.270 1.00 0.00 H new ATOM 1008 N LYS A 66 11.486 -2.526 73.656 1.00 0.00 N ATOM 1009 CA LYS A 66 10.986 -1.138 73.736 1.00 0.00 C ATOM 1010 C LYS A 66 11.203 -0.583 75.140 1.00 0.00 C ATOM 1011 O LYS A 66 11.185 0.609 75.359 1.00 0.00 O ATOM 1012 CB LYS A 66 9.498 -1.169 73.436 1.00 0.00 C ATOM 1013 CG LYS A 66 9.038 0.228 73.036 1.00 0.00 C ATOM 1014 CD LYS A 66 9.261 0.439 71.533 1.00 0.00 C ATOM 1015 CE LYS A 66 9.169 1.929 71.205 1.00 0.00 C ATOM 1016 NZ LYS A 66 8.973 2.097 69.747 1.00 0.00 N ATOM 0 H LYS A 66 10.790 -3.243 73.863 1.00 0.00 H new ATOM 0 HA LYS A 66 11.517 -0.505 73.025 1.00 0.00 H new ATOM 0 HB2 LYS A 66 9.291 -1.877 72.633 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.945 -1.510 74.311 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.983 0.356 73.278 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.589 0.978 73.603 1.00 0.00 H new ATOM 0 HD2 LYS A 66 10.238 0.052 71.242 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.516 -0.116 70.963 1.00 0.00 H new ATOM 0 HE2 LYS A 66 8.341 2.383 71.750 1.00 0.00 H new ATOM 0 HE3 LYS A 66 10.078 2.440 71.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.910 3.110 69.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 9.777 1.677 69.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.094 1.622 69.458 1.00 0.00 H new ATOM 1030 N HIS A 67 11.394 -1.444 76.091 1.00 0.00 N ATOM 1031 CA HIS A 67 11.596 -1.000 77.492 1.00 0.00 C ATOM 1032 C HIS A 67 13.045 -0.567 77.674 1.00 0.00 C ATOM 1033 O HIS A 67 13.429 -0.034 78.696 1.00 0.00 O ATOM 1034 CB HIS A 67 11.251 -2.172 78.417 1.00 0.00 C ATOM 1035 CG HIS A 67 10.062 -2.898 77.872 1.00 0.00 C ATOM 1036 ND1 HIS A 67 10.190 -3.849 76.884 1.00 0.00 N ATOM 1037 CD2 HIS A 67 8.717 -2.819 78.152 1.00 0.00 C ATOM 1038 CE1 HIS A 67 8.958 -4.305 76.597 1.00 0.00 C ATOM 1039 NE2 HIS A 67 8.022 -3.711 77.343 1.00 0.00 N ATOM 0 H HIS A 67 11.419 -2.455 75.955 1.00 0.00 H new ATOM 0 HA HIS A 67 10.955 -0.152 77.733 1.00 0.00 H new ATOM 0 HB2 HIS A 67 12.101 -2.850 78.496 1.00 0.00 H new ATOM 0 HB3 HIS A 67 11.040 -1.807 79.422 1.00 0.00 H new ATOM 0 HD2 HIS A 67 8.270 -2.165 78.887 1.00 0.00 H new ATOM 0 HE1 HIS A 67 8.750 -5.060 75.853 1.00 0.00 H new ATOM 0 HE2 HIS A 67 7.016 -3.876 77.323 1.00 0.00 H new ATOM 1047 N HIS A 68 13.842 -0.767 76.666 1.00 0.00 N ATOM 1048 CA HIS A 68 15.267 -0.360 76.738 1.00 0.00 C ATOM 1049 C HIS A 68 15.836 -0.742 78.108 1.00 0.00 C ATOM 1050 O HIS A 68 16.794 -0.155 78.567 1.00 0.00 O ATOM 1051 CB HIS A 68 15.367 1.155 76.539 1.00 0.00 C ATOM 1052 CG HIS A 68 14.676 1.547 75.257 1.00 0.00 C ATOM 1053 ND1 HIS A 68 14.569 0.685 74.180 1.00 0.00 N ATOM 1054 CD2 HIS A 68 14.037 2.709 74.873 1.00 0.00 C ATOM 1055 CE1 HIS A 68 13.886 1.330 73.212 1.00 0.00 C ATOM 1056 NE2 HIS A 68 13.542 2.564 73.582 1.00 0.00 N ATOM 0 H HIS A 68 13.563 -1.200 75.786 1.00 0.00 H new ATOM 0 HA HIS A 68 15.837 -0.867 75.959 1.00 0.00 H new ATOM 0 HB2 HIS A 68 14.910 1.673 77.382 1.00 0.00 H new ATOM 0 HB3 HIS A 68 16.413 1.459 76.507 1.00 0.00 H new ATOM 0 HD2 HIS A 68 13.937 3.595 75.482 1.00 0.00 H new ATOM 0 HE1 HIS A 68 13.646 0.898 72.252 1.00 0.00 H new ATOM 0 HE2 HIS A 68 13.026 3.254 73.035 1.00 0.00 H new ATOM 1064 N ILE A 69 15.253 -1.718 78.763 1.00 0.00 N ATOM 1065 CA ILE A 69 15.764 -2.121 80.105 1.00 0.00 C ATOM 1066 C ILE A 69 15.306 -3.509 80.466 1.00 0.00 C ATOM 1067 O ILE A 69 14.307 -4.029 79.992 1.00 0.00 O ATOM 1068 CB ILE A 69 15.315 -1.112 81.191 1.00 0.00 C ATOM 1069 CG1 ILE A 69 16.556 -0.571 81.903 1.00 0.00 C ATOM 1070 CG2 ILE A 69 14.383 -1.731 82.269 1.00 0.00 C ATOM 1071 CD1 ILE A 69 17.323 -1.696 82.598 1.00 0.00 C ATOM 0 H ILE A 69 14.450 -2.249 78.426 1.00 0.00 H new ATOM 0 HA ILE A 69 16.853 -2.121 80.057 1.00 0.00 H new ATOM 0 HB ILE A 69 14.753 -0.332 80.678 1.00 0.00 H new ATOM 0 HG12 ILE A 69 17.206 -0.074 81.182 1.00 0.00 H new ATOM 0 HG13 ILE A 69 16.261 0.180 82.636 1.00 0.00 H new ATOM 0 HG21 ILE A 69 14.109 -0.966 82.996 1.00 0.00 H new ATOM 0 HG22 ILE A 69 13.482 -2.118 81.793 1.00 0.00 H new ATOM 0 HG23 ILE A 69 14.903 -2.544 82.776 1.00 0.00 H new ATOM 0 HD11 ILE A 69 18.201 -1.284 83.096 1.00 0.00 H new ATOM 0 HD12 ILE A 69 16.678 -2.175 83.335 1.00 0.00 H new ATOM 0 HD13 ILE A 69 17.638 -2.432 81.859 1.00 0.00 H new ATOM 1083 N THR A 70 16.066 -4.093 81.330 1.00 0.00 N ATOM 1084 CA THR A 70 15.782 -5.436 81.832 1.00 0.00 C ATOM 1085 C THR A 70 15.391 -5.262 83.312 1.00 0.00 C ATOM 1086 O THR A 70 15.733 -4.267 83.915 1.00 0.00 O ATOM 1087 CB THR A 70 17.022 -6.283 81.671 1.00 0.00 C ATOM 1088 OG1 THR A 70 16.992 -7.299 82.655 1.00 0.00 O ATOM 1089 CG2 THR A 70 18.234 -5.357 81.833 1.00 0.00 C ATOM 0 H THR A 70 16.907 -3.670 81.721 1.00 0.00 H new ATOM 0 HA THR A 70 14.977 -5.934 81.292 1.00 0.00 H new ATOM 0 HB THR A 70 17.078 -6.763 80.694 1.00 0.00 H new ATOM 0 HG1 THR A 70 16.766 -8.155 82.235 1.00 0.00 H new ATOM 0 HG21 THR A 70 19.151 -5.936 81.723 1.00 0.00 H new ATOM 0 HG22 THR A 70 18.202 -4.579 81.070 1.00 0.00 H new ATOM 0 HG23 THR A 70 18.211 -4.898 82.821 1.00 0.00 H new ATOM 1097 N PRO A 71 14.628 -6.160 83.842 1.00 0.00 N ATOM 1098 CA PRO A 71 14.095 -6.018 85.219 1.00 0.00 C ATOM 1099 C PRO A 71 15.131 -6.098 86.346 1.00 0.00 C ATOM 1100 O PRO A 71 14.830 -5.751 87.470 1.00 0.00 O ATOM 1101 CB PRO A 71 13.052 -7.148 85.312 1.00 0.00 C ATOM 1102 CG PRO A 71 12.885 -7.670 83.867 1.00 0.00 C ATOM 1103 CD PRO A 71 14.198 -7.394 83.172 1.00 0.00 C ATOM 0 HA PRO A 71 13.689 -5.018 85.370 1.00 0.00 H new ATOM 0 HB2 PRO A 71 13.390 -7.941 85.980 1.00 0.00 H new ATOM 0 HB3 PRO A 71 12.106 -6.778 85.708 1.00 0.00 H new ATOM 0 HG2 PRO A 71 12.656 -8.736 83.861 1.00 0.00 H new ATOM 0 HG3 PRO A 71 12.062 -7.164 83.362 1.00 0.00 H new ATOM 0 HD2 PRO A 71 14.913 -8.205 83.308 1.00 0.00 H new ATOM 0 HD3 PRO A 71 14.073 -7.256 82.098 1.00 0.00 H new ATOM 1111 N LEU A 72 16.325 -6.531 86.123 1.00 0.00 N ATOM 1112 CA LEU A 72 17.240 -6.561 87.281 1.00 0.00 C ATOM 1113 C LEU A 72 17.370 -5.134 87.821 1.00 0.00 C ATOM 1114 O LEU A 72 17.353 -4.916 89.015 1.00 0.00 O ATOM 1115 CB LEU A 72 18.636 -7.149 86.943 1.00 0.00 C ATOM 1116 CG LEU A 72 18.658 -7.966 85.628 1.00 0.00 C ATOM 1117 CD1 LEU A 72 17.389 -8.839 85.461 1.00 0.00 C ATOM 1118 CD2 LEU A 72 18.819 -7.013 84.440 1.00 0.00 C ATOM 0 H LEU A 72 16.699 -6.853 85.231 1.00 0.00 H new ATOM 0 HA LEU A 72 16.817 -7.226 88.034 1.00 0.00 H new ATOM 0 HB2 LEU A 72 19.356 -6.334 86.868 1.00 0.00 H new ATOM 0 HB3 LEU A 72 18.961 -7.788 87.764 1.00 0.00 H new ATOM 0 HG LEU A 72 19.506 -8.649 85.668 1.00 0.00 H new ATOM 0 HD11 LEU A 72 17.450 -9.394 84.525 1.00 0.00 H new ATOM 0 HD12 LEU A 72 17.317 -9.539 86.293 1.00 0.00 H new ATOM 0 HD13 LEU A 72 16.507 -8.199 85.447 1.00 0.00 H new ATOM 0 HD21 LEU A 72 18.835 -7.586 83.513 1.00 0.00 H new ATOM 0 HD22 LEU A 72 17.984 -6.313 84.419 1.00 0.00 H new ATOM 0 HD23 LEU A 72 19.753 -6.461 84.541 1.00 0.00 H new ATOM 1130 N LEU A 73 17.460 -4.149 86.969 1.00 0.00 N ATOM 1131 CA LEU A 73 17.553 -2.759 87.499 1.00 0.00 C ATOM 1132 C LEU A 73 16.221 -2.398 88.136 1.00 0.00 C ATOM 1133 O LEU A 73 16.134 -1.541 88.994 1.00 0.00 O ATOM 1134 CB LEU A 73 17.891 -1.778 86.386 1.00 0.00 C ATOM 1135 CG LEU A 73 19.190 -2.247 85.721 1.00 0.00 C ATOM 1136 CD1 LEU A 73 18.865 -3.310 84.649 1.00 0.00 C ATOM 1137 CD2 LEU A 73 19.953 -1.045 85.136 1.00 0.00 C ATOM 0 H LEU A 73 17.473 -4.241 85.953 1.00 0.00 H new ATOM 0 HA LEU A 73 18.349 -2.703 88.241 1.00 0.00 H new ATOM 0 HB2 LEU A 73 17.083 -1.736 85.656 1.00 0.00 H new ATOM 0 HB3 LEU A 73 18.010 -0.772 86.788 1.00 0.00 H new ATOM 0 HG LEU A 73 19.841 -2.709 86.463 1.00 0.00 H new ATOM 0 HD11 LEU A 73 19.788 -3.644 84.176 1.00 0.00 H new ATOM 0 HD12 LEU A 73 18.370 -4.160 85.118 1.00 0.00 H new ATOM 0 HD13 LEU A 73 18.207 -2.877 83.895 1.00 0.00 H new ATOM 0 HD21 LEU A 73 20.874 -1.392 84.667 1.00 0.00 H new ATOM 0 HD22 LEU A 73 19.332 -0.547 84.392 1.00 0.00 H new ATOM 0 HD23 LEU A 73 20.195 -0.344 85.935 1.00 0.00 H new ATOM 1149 N SER A 74 15.174 -3.045 87.729 1.00 0.00 N ATOM 1150 CA SER A 74 13.865 -2.720 88.324 1.00 0.00 C ATOM 1151 C SER A 74 13.954 -2.897 89.846 1.00 0.00 C ATOM 1152 O SER A 74 13.623 -2.005 90.605 1.00 0.00 O ATOM 1153 CB SER A 74 12.748 -3.596 87.727 1.00 0.00 C ATOM 1154 OG SER A 74 11.498 -3.194 88.277 1.00 0.00 O ATOM 0 H SER A 74 15.169 -3.776 87.018 1.00 0.00 H new ATOM 0 HA SER A 74 13.613 -1.685 88.095 1.00 0.00 H new ATOM 0 HB2 SER A 74 12.731 -3.496 86.642 1.00 0.00 H new ATOM 0 HB3 SER A 74 12.936 -4.647 87.948 1.00 0.00 H new ATOM 0 HG SER A 74 10.782 -3.747 87.900 1.00 0.00 H new ATOM 1160 N ALA A 75 14.426 -4.031 90.301 1.00 0.00 N ATOM 1161 CA ALA A 75 14.546 -4.257 91.776 1.00 0.00 C ATOM 1162 C ALA A 75 15.636 -3.357 92.377 1.00 0.00 C ATOM 1163 O ALA A 75 15.545 -2.934 93.514 1.00 0.00 O ATOM 1164 CB ALA A 75 14.868 -5.728 92.037 1.00 0.00 C ATOM 0 H ALA A 75 14.733 -4.809 89.717 1.00 0.00 H new ATOM 0 HA ALA A 75 13.599 -4.003 92.253 1.00 0.00 H new ATOM 0 HB1 ALA A 75 14.956 -5.896 93.110 1.00 0.00 H new ATOM 0 HB2 ALA A 75 14.069 -6.352 91.636 1.00 0.00 H new ATOM 0 HB3 ALA A 75 15.809 -5.986 91.551 1.00 0.00 H new ATOM 1170 N VAL A 76 16.660 -3.054 91.626 1.00 0.00 N ATOM 1171 CA VAL A 76 17.746 -2.177 92.144 1.00 0.00 C ATOM 1172 C VAL A 76 17.139 -0.965 92.830 1.00 0.00 C ATOM 1173 O VAL A 76 17.218 -0.815 94.034 1.00 0.00 O ATOM 1174 CB VAL A 76 18.617 -1.742 90.958 1.00 0.00 C ATOM 1175 CG1 VAL A 76 19.571 -0.622 91.345 1.00 0.00 C ATOM 1176 CG2 VAL A 76 19.420 -2.938 90.513 1.00 0.00 C ATOM 0 H VAL A 76 16.791 -3.380 90.668 1.00 0.00 H new ATOM 0 HA VAL A 76 18.356 -2.712 92.872 1.00 0.00 H new ATOM 0 HB VAL A 76 17.972 -1.371 90.161 1.00 0.00 H new ATOM 0 HG11 VAL A 76 20.171 -0.340 90.480 1.00 0.00 H new ATOM 0 HG12 VAL A 76 18.999 0.241 91.687 1.00 0.00 H new ATOM 0 HG13 VAL A 76 20.227 -0.963 92.146 1.00 0.00 H new ATOM 0 HG21 VAL A 76 20.051 -2.659 89.669 1.00 0.00 H new ATOM 0 HG22 VAL A 76 20.046 -3.282 91.336 1.00 0.00 H new ATOM 0 HG23 VAL A 76 18.744 -3.738 90.212 1.00 0.00 H new ATOM 1186 N TYR A 77 16.527 -0.099 92.085 1.00 0.00 N ATOM 1187 CA TYR A 77 15.927 1.080 92.728 1.00 0.00 C ATOM 1188 C TYR A 77 14.712 0.629 93.562 1.00 0.00 C ATOM 1189 O TYR A 77 13.653 1.218 93.482 1.00 0.00 O ATOM 1190 CB TYR A 77 15.480 2.099 91.663 1.00 0.00 C ATOM 1191 CG TYR A 77 16.237 1.914 90.371 1.00 0.00 C ATOM 1192 CD1 TYR A 77 15.759 1.029 89.402 1.00 0.00 C ATOM 1193 CD2 TYR A 77 17.388 2.666 90.125 1.00 0.00 C ATOM 1194 CE1 TYR A 77 16.436 0.896 88.185 1.00 0.00 C ATOM 1195 CE2 TYR A 77 18.068 2.532 88.914 1.00 0.00 C ATOM 1196 CZ TYR A 77 17.592 1.652 87.942 1.00 0.00 C ATOM 1197 OH TYR A 77 18.263 1.527 86.745 1.00 0.00 O ATOM 0 H TYR A 77 16.419 -0.158 91.072 1.00 0.00 H new ATOM 0 HA TYR A 77 16.665 1.556 93.374 1.00 0.00 H new ATOM 0 HB2 TYR A 77 14.411 1.990 91.479 1.00 0.00 H new ATOM 0 HB3 TYR A 77 15.637 3.111 92.037 1.00 0.00 H new ATOM 0 HD1 TYR A 77 14.868 0.448 89.592 1.00 0.00 H new ATOM 0 HD2 TYR A 77 17.753 3.353 90.874 1.00 0.00 H new ATOM 0 HE1 TYR A 77 16.069 0.212 87.434 1.00 0.00 H new ATOM 0 HE2 TYR A 77 18.962 3.109 88.729 1.00 0.00 H new ATOM 0 HH TYR A 77 18.887 2.275 86.640 1.00 0.00 H new ATOM 1207 N GLU A 78 14.848 -0.417 94.356 1.00 0.00 N ATOM 1208 CA GLU A 78 13.685 -0.900 95.181 1.00 0.00 C ATOM 1209 C GLU A 78 14.133 -1.157 96.624 1.00 0.00 C ATOM 1210 O GLU A 78 13.354 -1.066 97.555 1.00 0.00 O ATOM 1211 CB GLU A 78 13.152 -2.231 94.602 1.00 0.00 C ATOM 1212 CG GLU A 78 11.670 -2.416 94.984 1.00 0.00 C ATOM 1213 CD GLU A 78 11.261 -3.895 94.829 1.00 0.00 C ATOM 1214 OE1 GLU A 78 11.749 -4.536 93.914 1.00 0.00 O ATOM 1215 OE2 GLU A 78 10.463 -4.358 95.627 1.00 0.00 O ATOM 0 H GLU A 78 15.709 -0.953 94.467 1.00 0.00 H new ATOM 0 HA GLU A 78 12.908 -0.136 95.160 1.00 0.00 H new ATOM 0 HB2 GLU A 78 13.260 -2.234 93.517 1.00 0.00 H new ATOM 0 HB3 GLU A 78 13.741 -3.065 94.983 1.00 0.00 H new ATOM 0 HG2 GLU A 78 11.509 -2.092 96.012 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.043 -1.789 94.350 1.00 0.00 H new ATOM 1222 N GLY A 79 15.369 -1.525 96.817 1.00 0.00 N ATOM 1223 CA GLY A 79 15.835 -1.839 98.195 1.00 0.00 C ATOM 1224 C GLY A 79 15.584 -3.331 98.433 1.00 0.00 C ATOM 1225 O GLY A 79 15.987 -3.901 99.428 1.00 0.00 O ATOM 0 H GLY A 79 16.072 -1.621 96.085 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.894 -1.605 98.305 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.298 -1.237 98.928 1.00 0.00 H new ATOM 1229 N HIS A 80 14.932 -3.973 97.496 1.00 0.00 N ATOM 1230 CA HIS A 80 14.665 -5.434 97.627 1.00 0.00 C ATOM 1231 C HIS A 80 15.952 -6.181 97.284 1.00 0.00 C ATOM 1232 O HIS A 80 16.492 -6.894 98.104 1.00 0.00 O ATOM 1233 CB HIS A 80 13.584 -5.833 96.620 1.00 0.00 C ATOM 1234 CG HIS A 80 12.232 -5.747 97.257 1.00 0.00 C ATOM 1235 ND1 HIS A 80 11.383 -6.828 97.302 1.00 0.00 N ATOM 1236 CD2 HIS A 80 11.587 -4.732 97.918 1.00 0.00 C ATOM 1237 CE1 HIS A 80 10.287 -6.463 97.973 1.00 0.00 C ATOM 1238 NE2 HIS A 80 10.355 -5.188 98.377 1.00 0.00 N ATOM 0 H HIS A 80 14.573 -3.544 96.643 1.00 0.00 H new ATOM 0 HA HIS A 80 14.336 -5.674 98.638 1.00 0.00 H new ATOM 0 HB2 HIS A 80 13.627 -5.178 95.750 1.00 0.00 H new ATOM 0 HB3 HIS A 80 13.763 -6.848 96.265 1.00 0.00 H new ATOM 0 HD2 HIS A 80 11.975 -3.734 98.060 1.00 0.00 H new ATOM 0 HE1 HIS A 80 9.449 -7.116 98.166 1.00 0.00 H new ATOM 0 HE2 HIS A 80 9.656 -4.665 98.906 1.00 0.00 H new ATOM 1246 N VAL A 81 16.447 -5.986 96.087 1.00 0.00 N ATOM 1247 CA VAL A 81 17.710 -6.633 95.647 1.00 0.00 C ATOM 1248 C VAL A 81 17.921 -8.012 96.315 1.00 0.00 C ATOM 1249 O VAL A 81 19.007 -8.579 96.323 1.00 0.00 O ATOM 1250 CB VAL A 81 18.849 -5.634 95.909 1.00 0.00 C ATOM 1251 CG1 VAL A 81 18.929 -4.608 94.737 1.00 0.00 C ATOM 1252 CG2 VAL A 81 18.550 -4.861 97.197 1.00 0.00 C ATOM 0 H VAL A 81 16.013 -5.389 95.383 1.00 0.00 H new ATOM 0 HA VAL A 81 17.678 -6.863 94.582 1.00 0.00 H new ATOM 0 HB VAL A 81 19.789 -6.179 95.995 1.00 0.00 H new ATOM 0 HG11 VAL A 81 19.737 -3.902 94.926 1.00 0.00 H new ATOM 0 HG12 VAL A 81 19.120 -5.137 93.803 1.00 0.00 H new ATOM 0 HG13 VAL A 81 17.985 -4.068 94.661 1.00 0.00 H new ATOM 0 HG21 VAL A 81 19.354 -4.150 97.390 1.00 0.00 H new ATOM 0 HG22 VAL A 81 17.608 -4.323 97.088 1.00 0.00 H new ATOM 0 HG23 VAL A 81 18.475 -5.559 98.031 1.00 0.00 H new ATOM 1262 N SER A 82 16.854 -8.596 96.775 1.00 0.00 N ATOM 1263 CA SER A 82 16.931 -9.968 97.316 1.00 0.00 C ATOM 1264 C SER A 82 16.814 -10.840 96.068 1.00 0.00 C ATOM 1265 O SER A 82 17.237 -11.980 96.007 1.00 0.00 O ATOM 1266 CB SER A 82 15.754 -10.209 98.286 1.00 0.00 C ATOM 1267 OG SER A 82 16.221 -10.146 99.626 1.00 0.00 O ATOM 0 H SER A 82 15.926 -8.174 96.798 1.00 0.00 H new ATOM 0 HA SER A 82 17.839 -10.174 97.882 1.00 0.00 H new ATOM 0 HB2 SER A 82 14.978 -9.461 98.125 1.00 0.00 H new ATOM 0 HB3 SER A 82 15.303 -11.182 98.093 1.00 0.00 H new ATOM 0 HG SER A 82 15.473 -10.297 100.241 1.00 0.00 H new ATOM 1273 N CYS A 83 16.228 -10.247 95.055 1.00 0.00 N ATOM 1274 CA CYS A 83 16.035 -10.932 93.758 1.00 0.00 C ATOM 1275 C CYS A 83 17.311 -10.802 92.901 1.00 0.00 C ATOM 1276 O CYS A 83 17.849 -11.784 92.436 1.00 0.00 O ATOM 1277 CB CYS A 83 14.844 -10.292 93.026 1.00 0.00 C ATOM 1278 SG CYS A 83 14.702 -8.542 93.491 1.00 0.00 S ATOM 0 H CYS A 83 15.870 -9.292 95.084 1.00 0.00 H new ATOM 0 HA CYS A 83 15.834 -11.990 93.928 1.00 0.00 H new ATOM 0 HB2 CYS A 83 14.978 -10.381 91.948 1.00 0.00 H new ATOM 0 HB3 CYS A 83 13.924 -10.820 93.278 1.00 0.00 H new ATOM 0 HG CYS A 83 13.581 -8.062 93.039 1.00 0.00 H new ATOM 1284 N VAL A 84 17.800 -9.601 92.692 1.00 0.00 N ATOM 1285 CA VAL A 84 19.043 -9.422 91.861 1.00 0.00 C ATOM 1286 C VAL A 84 20.040 -10.524 92.178 1.00 0.00 C ATOM 1287 O VAL A 84 20.728 -11.018 91.309 1.00 0.00 O ATOM 1288 CB VAL A 84 19.712 -8.090 92.182 1.00 0.00 C ATOM 1289 CG1 VAL A 84 18.753 -6.935 91.899 1.00 0.00 C ATOM 1290 CG2 VAL A 84 20.115 -8.093 93.645 1.00 0.00 C ATOM 0 H VAL A 84 17.397 -8.739 93.058 1.00 0.00 H new ATOM 0 HA VAL A 84 18.752 -9.454 90.811 1.00 0.00 H new ATOM 0 HB VAL A 84 20.594 -7.958 91.556 1.00 0.00 H new ATOM 0 HG11 VAL A 84 19.243 -5.990 92.132 1.00 0.00 H new ATOM 0 HG12 VAL A 84 18.470 -6.947 90.846 1.00 0.00 H new ATOM 0 HG13 VAL A 84 17.861 -7.043 92.516 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.596 -7.146 93.892 1.00 0.00 H new ATOM 0 HG22 VAL A 84 19.229 -8.223 94.266 1.00 0.00 H new ATOM 0 HG23 VAL A 84 20.810 -8.912 93.829 1.00 0.00 H new ATOM 1300 N LYS A 85 20.153 -10.881 93.427 1.00 0.00 N ATOM 1301 CA LYS A 85 21.137 -11.917 93.817 1.00 0.00 C ATOM 1302 C LYS A 85 20.826 -13.260 93.123 1.00 0.00 C ATOM 1303 O LYS A 85 21.583 -13.724 92.282 1.00 0.00 O ATOM 1304 CB LYS A 85 21.093 -12.066 95.353 1.00 0.00 C ATOM 1305 CG LYS A 85 22.516 -12.119 95.927 1.00 0.00 C ATOM 1306 CD LYS A 85 22.481 -12.047 97.454 1.00 0.00 C ATOM 1307 CE LYS A 85 23.894 -11.758 97.966 1.00 0.00 C ATOM 1308 NZ LYS A 85 23.939 -11.967 99.444 1.00 0.00 N ATOM 0 H LYS A 85 19.602 -10.496 94.194 1.00 0.00 H new ATOM 0 HA LYS A 85 22.137 -11.618 93.502 1.00 0.00 H new ATOM 0 HB2 LYS A 85 20.549 -11.229 95.790 1.00 0.00 H new ATOM 0 HB3 LYS A 85 20.552 -12.973 95.621 1.00 0.00 H new ATOM 0 HG2 LYS A 85 23.008 -13.039 95.612 1.00 0.00 H new ATOM 0 HG3 LYS A 85 23.105 -11.291 95.532 1.00 0.00 H new ATOM 0 HD2 LYS A 85 21.794 -11.266 97.779 1.00 0.00 H new ATOM 0 HD3 LYS A 85 22.114 -12.986 97.868 1.00 0.00 H new ATOM 0 HE2 LYS A 85 24.612 -12.413 97.473 1.00 0.00 H new ATOM 0 HE3 LYS A 85 24.178 -10.734 97.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 24.899 -11.771 99.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 23.264 -11.324 99.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 23.685 -12.951 99.663 1.00 0.00 H new ATOM 1322 N LEU A 86 19.738 -13.901 93.453 1.00 0.00 N ATOM 1323 CA LEU A 86 19.437 -15.210 92.788 1.00 0.00 C ATOM 1324 C LEU A 86 19.185 -14.989 91.295 1.00 0.00 C ATOM 1325 O LEU A 86 19.071 -15.918 90.521 1.00 0.00 O ATOM 1326 CB LEU A 86 18.274 -15.936 93.525 1.00 0.00 C ATOM 1327 CG LEU A 86 16.894 -15.796 92.838 1.00 0.00 C ATOM 1328 CD1 LEU A 86 16.555 -14.323 92.562 1.00 0.00 C ATOM 1329 CD2 LEU A 86 16.808 -16.642 91.541 1.00 0.00 C ATOM 0 H LEU A 86 19.053 -13.586 94.140 1.00 0.00 H new ATOM 0 HA LEU A 86 20.297 -15.877 92.859 1.00 0.00 H new ATOM 0 HB2 LEU A 86 18.518 -16.995 93.609 1.00 0.00 H new ATOM 0 HB3 LEU A 86 18.202 -15.544 94.540 1.00 0.00 H new ATOM 0 HG LEU A 86 16.149 -16.187 93.531 1.00 0.00 H new ATOM 0 HD11 LEU A 86 15.580 -14.258 92.079 1.00 0.00 H new ATOM 0 HD12 LEU A 86 16.531 -13.773 93.503 1.00 0.00 H new ATOM 0 HD13 LEU A 86 17.313 -13.892 91.908 1.00 0.00 H new ATOM 0 HD21 LEU A 86 15.824 -16.516 91.089 1.00 0.00 H new ATOM 0 HD22 LEU A 86 17.574 -16.312 90.840 1.00 0.00 H new ATOM 0 HD23 LEU A 86 16.965 -17.693 91.781 1.00 0.00 H new ATOM 1341 N LEU A 87 19.126 -13.752 90.879 1.00 0.00 N ATOM 1342 CA LEU A 87 18.878 -13.450 89.440 1.00 0.00 C ATOM 1343 C LEU A 87 20.080 -13.807 88.560 1.00 0.00 C ATOM 1344 O LEU A 87 19.997 -14.711 87.742 1.00 0.00 O ATOM 1345 CB LEU A 87 18.577 -11.953 89.297 1.00 0.00 C ATOM 1346 CG LEU A 87 17.231 -11.741 88.622 1.00 0.00 C ATOM 1347 CD1 LEU A 87 16.873 -10.268 88.723 1.00 0.00 C ATOM 1348 CD2 LEU A 87 17.340 -12.127 87.150 1.00 0.00 C ATOM 0 H LEU A 87 19.240 -12.934 91.478 1.00 0.00 H new ATOM 0 HA LEU A 87 18.034 -14.054 89.108 1.00 0.00 H new ATOM 0 HB2 LEU A 87 18.576 -11.481 90.280 1.00 0.00 H new ATOM 0 HB3 LEU A 87 19.362 -11.472 88.714 1.00 0.00 H new ATOM 0 HG LEU A 87 16.467 -12.352 89.103 1.00 0.00 H new ATOM 0 HD11 LEU A 87 15.909 -10.094 88.244 1.00 0.00 H new ATOM 0 HD12 LEU A 87 16.814 -9.979 89.772 1.00 0.00 H new ATOM 0 HD13 LEU A 87 17.638 -9.673 88.225 1.00 0.00 H new ATOM 0 HD21 LEU A 87 16.377 -11.977 86.662 1.00 0.00 H new ATOM 0 HD22 LEU A 87 18.093 -11.505 86.666 1.00 0.00 H new ATOM 0 HD23 LEU A 87 17.628 -13.175 87.069 1.00 0.00 H new ATOM 1360 N LEU A 88 21.182 -13.101 88.664 1.00 0.00 N ATOM 1361 CA LEU A 88 22.319 -13.433 87.763 1.00 0.00 C ATOM 1362 C LEU A 88 22.667 -14.896 87.903 1.00 0.00 C ATOM 1363 O LEU A 88 23.453 -15.429 87.151 1.00 0.00 O ATOM 1364 CB LEU A 88 23.554 -12.553 88.006 1.00 0.00 C ATOM 1365 CG LEU A 88 24.276 -12.872 89.336 1.00 0.00 C ATOM 1366 CD1 LEU A 88 23.277 -12.971 90.481 1.00 0.00 C ATOM 1367 CD2 LEU A 88 25.053 -14.205 89.251 1.00 0.00 C ATOM 0 H LEU A 88 21.337 -12.332 89.316 1.00 0.00 H new ATOM 0 HA LEU A 88 21.997 -13.227 86.742 1.00 0.00 H new ATOM 0 HB2 LEU A 88 24.253 -12.683 87.180 1.00 0.00 H new ATOM 0 HB3 LEU A 88 23.252 -11.506 88.006 1.00 0.00 H new ATOM 0 HG LEU A 88 24.976 -12.057 89.520 1.00 0.00 H new ATOM 0 HD11 LEU A 88 23.806 -13.196 91.407 1.00 0.00 H new ATOM 0 HD12 LEU A 88 22.749 -12.023 90.586 1.00 0.00 H new ATOM 0 HD13 LEU A 88 22.560 -13.765 90.271 1.00 0.00 H new ATOM 0 HD21 LEU A 88 25.548 -14.399 90.202 1.00 0.00 H new ATOM 0 HD22 LEU A 88 24.360 -15.017 89.031 1.00 0.00 H new ATOM 0 HD23 LEU A 88 25.800 -14.141 88.459 1.00 0.00 H new ATOM 1379 N SER A 89 22.068 -15.558 88.834 1.00 0.00 N ATOM 1380 CA SER A 89 22.341 -16.999 88.988 1.00 0.00 C ATOM 1381 C SER A 89 22.035 -17.659 87.650 1.00 0.00 C ATOM 1382 O SER A 89 22.590 -18.682 87.308 1.00 0.00 O ATOM 1383 CB SER A 89 21.437 -17.569 90.079 1.00 0.00 C ATOM 1384 OG SER A 89 20.167 -17.909 89.515 1.00 0.00 O ATOM 0 H SER A 89 21.400 -15.165 89.497 1.00 0.00 H new ATOM 0 HA SER A 89 23.378 -17.180 89.273 1.00 0.00 H new ATOM 0 HB2 SER A 89 21.897 -18.451 90.524 1.00 0.00 H new ATOM 0 HB3 SER A 89 21.309 -16.839 90.878 1.00 0.00 H new ATOM 0 HG SER A 89 19.496 -17.255 89.802 1.00 0.00 H new ATOM 1390 N LYS A 90 21.157 -17.053 86.887 1.00 0.00 N ATOM 1391 CA LYS A 90 20.796 -17.597 85.553 1.00 0.00 C ATOM 1392 C LYS A 90 21.572 -16.820 84.477 1.00 0.00 C ATOM 1393 O LYS A 90 21.759 -17.282 83.370 1.00 0.00 O ATOM 1394 CB LYS A 90 19.288 -17.390 85.347 1.00 0.00 C ATOM 1395 CG LYS A 90 18.493 -18.264 86.345 1.00 0.00 C ATOM 1396 CD LYS A 90 18.008 -17.431 87.551 1.00 0.00 C ATOM 1397 CE LYS A 90 16.678 -16.753 87.201 1.00 0.00 C ATOM 1398 NZ LYS A 90 16.143 -16.077 88.408 1.00 0.00 N ATOM 0 H LYS A 90 20.672 -16.193 87.142 1.00 0.00 H new ATOM 0 HA LYS A 90 21.042 -18.657 85.485 1.00 0.00 H new ATOM 0 HB2 LYS A 90 19.034 -16.339 85.488 1.00 0.00 H new ATOM 0 HB3 LYS A 90 19.013 -17.649 84.325 1.00 0.00 H new ATOM 0 HG2 LYS A 90 17.637 -18.711 85.840 1.00 0.00 H new ATOM 0 HG3 LYS A 90 19.120 -19.084 86.694 1.00 0.00 H new ATOM 0 HD2 LYS A 90 17.883 -18.073 88.423 1.00 0.00 H new ATOM 0 HD3 LYS A 90 18.754 -16.680 87.812 1.00 0.00 H new ATOM 0 HE2 LYS A 90 16.825 -16.029 86.399 1.00 0.00 H new ATOM 0 HE3 LYS A 90 15.964 -17.492 86.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 15.702 -15.176 88.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 15.433 -16.687 88.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 16.919 -15.894 89.076 1.00 0.00 H new ATOM 1412 N GLY A 91 22.038 -15.650 84.817 1.00 0.00 N ATOM 1413 CA GLY A 91 22.811 -14.830 83.848 1.00 0.00 C ATOM 1414 C GLY A 91 22.399 -13.367 83.966 1.00 0.00 C ATOM 1415 O GLY A 91 22.968 -12.602 84.719 1.00 0.00 O ATOM 0 H GLY A 91 21.914 -15.224 85.736 1.00 0.00 H new ATOM 0 HA2 GLY A 91 23.879 -14.933 84.041 1.00 0.00 H new ATOM 0 HA3 GLY A 91 22.634 -15.187 82.833 1.00 0.00 H new ATOM 1419 N ALA A 92 21.414 -12.988 83.207 1.00 0.00 N ATOM 1420 CA ALA A 92 20.938 -11.587 83.226 1.00 0.00 C ATOM 1421 C ALA A 92 22.127 -10.622 83.117 1.00 0.00 C ATOM 1422 O ALA A 92 21.957 -9.424 83.225 1.00 0.00 O ATOM 1423 CB ALA A 92 20.173 -11.325 84.534 1.00 0.00 C ATOM 0 H ALA A 92 20.912 -13.602 82.565 1.00 0.00 H new ATOM 0 HA ALA A 92 20.275 -11.423 82.377 1.00 0.00 H new ATOM 0 HB1 ALA A 92 19.822 -10.293 84.550 1.00 0.00 H new ATOM 0 HB2 ALA A 92 19.320 -12.000 84.598 1.00 0.00 H new ATOM 0 HB3 ALA A 92 20.835 -11.496 85.383 1.00 0.00 H new ATOM 1429 N ASP A 93 23.327 -11.136 82.902 1.00 0.00 N ATOM 1430 CA ASP A 93 24.529 -10.255 82.796 1.00 0.00 C ATOM 1431 C ASP A 93 24.362 -9.105 83.765 1.00 0.00 C ATOM 1432 O ASP A 93 24.214 -9.300 84.958 1.00 0.00 O ATOM 1433 CB ASP A 93 24.642 -9.720 81.373 1.00 0.00 C ATOM 1434 CG ASP A 93 25.911 -8.877 81.250 1.00 0.00 C ATOM 1435 OD1 ASP A 93 26.961 -9.371 81.628 1.00 0.00 O ATOM 1436 OD2 ASP A 93 25.812 -7.753 80.789 1.00 0.00 O ATOM 0 H ASP A 93 23.516 -12.133 82.796 1.00 0.00 H new ATOM 0 HA ASP A 93 25.433 -10.815 83.035 1.00 0.00 H new ATOM 0 HB2 ASP A 93 24.670 -10.546 80.663 1.00 0.00 H new ATOM 0 HB3 ASP A 93 23.767 -9.118 81.128 1.00 0.00 H new ATOM 1441 N LYS A 94 24.352 -7.911 83.273 1.00 0.00 N ATOM 1442 CA LYS A 94 24.147 -6.764 84.178 1.00 0.00 C ATOM 1443 C LYS A 94 23.818 -5.520 83.342 1.00 0.00 C ATOM 1444 O LYS A 94 23.071 -4.657 83.764 1.00 0.00 O ATOM 1445 CB LYS A 94 25.395 -6.547 85.041 1.00 0.00 C ATOM 1446 CG LYS A 94 25.206 -5.311 85.930 1.00 0.00 C ATOM 1447 CD LYS A 94 24.016 -5.500 86.912 1.00 0.00 C ATOM 1448 CE LYS A 94 22.737 -4.753 86.457 1.00 0.00 C ATOM 1449 NZ LYS A 94 21.892 -4.455 87.655 1.00 0.00 N ATOM 0 H LYS A 94 24.476 -7.679 82.288 1.00 0.00 H new ATOM 0 HA LYS A 94 23.312 -6.962 84.851 1.00 0.00 H new ATOM 0 HB2 LYS A 94 25.578 -7.426 85.659 1.00 0.00 H new ATOM 0 HB3 LYS A 94 26.270 -6.418 84.404 1.00 0.00 H new ATOM 0 HG2 LYS A 94 26.120 -5.123 86.494 1.00 0.00 H new ATOM 0 HG3 LYS A 94 25.030 -4.435 85.306 1.00 0.00 H new ATOM 0 HD2 LYS A 94 23.795 -6.563 87.008 1.00 0.00 H new ATOM 0 HD3 LYS A 94 24.307 -5.144 87.900 1.00 0.00 H new ATOM 0 HE2 LYS A 94 23.004 -3.828 85.945 1.00 0.00 H new ATOM 0 HE3 LYS A 94 22.179 -5.362 85.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 20.896 -4.373 87.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 21.989 -5.224 88.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 22.202 -3.560 88.085 1.00 0.00 H new ATOM 1463 N THR A 95 24.363 -5.438 82.158 1.00 0.00 N ATOM 1464 CA THR A 95 24.087 -4.268 81.267 1.00 0.00 C ATOM 1465 C THR A 95 23.748 -4.791 79.879 1.00 0.00 C ATOM 1466 O THR A 95 24.268 -4.337 78.881 1.00 0.00 O ATOM 1467 CB THR A 95 25.317 -3.357 81.195 1.00 0.00 C ATOM 1468 OG1 THR A 95 26.473 -4.141 80.961 1.00 0.00 O ATOM 1469 CG2 THR A 95 25.465 -2.604 82.517 1.00 0.00 C ATOM 0 H THR A 95 24.994 -6.137 81.764 1.00 0.00 H new ATOM 0 HA THR A 95 23.253 -3.689 81.664 1.00 0.00 H new ATOM 0 HB THR A 95 25.197 -2.642 80.381 1.00 0.00 H new ATOM 0 HG1 THR A 95 27.259 -3.558 80.913 1.00 0.00 H new ATOM 0 HG21 THR A 95 26.339 -1.955 82.470 1.00 0.00 H new ATOM 0 HG22 THR A 95 24.574 -2.001 82.694 1.00 0.00 H new ATOM 0 HG23 THR A 95 25.587 -3.319 83.331 1.00 0.00 H new ATOM 1477 N VAL A 96 22.876 -5.749 79.829 1.00 0.00 N ATOM 1478 CA VAL A 96 22.472 -6.333 78.533 1.00 0.00 C ATOM 1479 C VAL A 96 21.385 -5.454 77.909 1.00 0.00 C ATOM 1480 O VAL A 96 20.963 -5.676 76.796 1.00 0.00 O ATOM 1481 CB VAL A 96 21.971 -7.775 78.787 1.00 0.00 C ATOM 1482 CG1 VAL A 96 20.812 -8.156 77.853 1.00 0.00 C ATOM 1483 CG2 VAL A 96 23.131 -8.760 78.574 1.00 0.00 C ATOM 0 H VAL A 96 22.420 -6.157 80.645 1.00 0.00 H new ATOM 0 HA VAL A 96 23.309 -6.374 77.836 1.00 0.00 H new ATOM 0 HB VAL A 96 21.606 -7.823 79.813 1.00 0.00 H new ATOM 0 HG11 VAL A 96 20.493 -9.176 78.067 1.00 0.00 H new ATOM 0 HG12 VAL A 96 19.977 -7.474 78.012 1.00 0.00 H new ATOM 0 HG13 VAL A 96 21.143 -8.089 76.817 1.00 0.00 H new ATOM 0 HG21 VAL A 96 22.782 -9.777 78.752 1.00 0.00 H new ATOM 0 HG22 VAL A 96 23.497 -8.676 77.551 1.00 0.00 H new ATOM 0 HG23 VAL A 96 23.938 -8.527 79.268 1.00 0.00 H new ATOM 1493 N LYS A 97 20.931 -4.438 78.611 1.00 0.00 N ATOM 1494 CA LYS A 97 19.874 -3.569 78.010 1.00 0.00 C ATOM 1495 C LYS A 97 19.842 -2.183 78.679 1.00 0.00 C ATOM 1496 O LYS A 97 19.241 -1.261 78.164 1.00 0.00 O ATOM 1497 CB LYS A 97 18.507 -4.280 78.152 1.00 0.00 C ATOM 1498 CG LYS A 97 17.888 -4.563 76.783 1.00 0.00 C ATOM 1499 CD LYS A 97 17.346 -3.264 76.193 1.00 0.00 C ATOM 1500 CE LYS A 97 17.139 -3.451 74.697 1.00 0.00 C ATOM 1501 NZ LYS A 97 18.459 -3.528 74.034 1.00 0.00 N ATOM 0 H LYS A 97 21.239 -4.181 79.549 1.00 0.00 H new ATOM 0 HA LYS A 97 20.098 -3.409 76.955 1.00 0.00 H new ATOM 0 HB2 LYS A 97 18.635 -5.215 78.697 1.00 0.00 H new ATOM 0 HB3 LYS A 97 17.830 -3.659 78.739 1.00 0.00 H new ATOM 0 HG2 LYS A 97 18.635 -4.994 76.116 1.00 0.00 H new ATOM 0 HG3 LYS A 97 17.086 -5.294 76.879 1.00 0.00 H new ATOM 0 HD2 LYS A 97 16.405 -2.996 76.673 1.00 0.00 H new ATOM 0 HD3 LYS A 97 18.043 -2.446 76.378 1.00 0.00 H new ATOM 0 HE2 LYS A 97 16.569 -4.360 74.507 1.00 0.00 H new ATOM 0 HE3 LYS A 97 16.561 -2.621 74.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 18.384 -3.155 73.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 19.150 -2.965 74.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 18.773 -4.519 73.999 1.00 0.00 H new ATOM 1515 N GLY A 98 20.494 -1.991 79.796 1.00 0.00 N ATOM 1516 CA GLY A 98 20.479 -0.633 80.398 1.00 0.00 C ATOM 1517 C GLY A 98 21.411 0.251 79.560 1.00 0.00 C ATOM 1518 O GLY A 98 22.105 -0.258 78.699 1.00 0.00 O ATOM 0 H GLY A 98 21.023 -2.699 80.305 1.00 0.00 H new ATOM 0 HA2 GLY A 98 19.467 -0.227 80.404 1.00 0.00 H new ATOM 0 HA3 GLY A 98 20.814 -0.669 81.435 1.00 0.00 H new ATOM 1522 N PRO A 99 21.421 1.536 79.833 1.00 0.00 N ATOM 1523 CA PRO A 99 22.284 2.487 79.096 1.00 0.00 C ATOM 1524 C PRO A 99 23.677 1.892 78.943 1.00 0.00 C ATOM 1525 O PRO A 99 24.061 1.451 77.877 1.00 0.00 O ATOM 1526 CB PRO A 99 22.288 3.740 79.990 1.00 0.00 C ATOM 1527 CG PRO A 99 21.019 3.643 80.860 1.00 0.00 C ATOM 1528 CD PRO A 99 20.605 2.153 80.897 1.00 0.00 C ATOM 0 HA PRO A 99 21.939 2.713 78.087 1.00 0.00 H new ATOM 0 HB2 PRO A 99 23.184 3.775 80.609 1.00 0.00 H new ATOM 0 HB3 PRO A 99 22.281 4.649 79.388 1.00 0.00 H new ATOM 0 HG2 PRO A 99 21.213 4.014 81.866 1.00 0.00 H new ATOM 0 HG3 PRO A 99 20.219 4.255 80.443 1.00 0.00 H new ATOM 0 HD2 PRO A 99 20.810 1.705 81.869 1.00 0.00 H new ATOM 0 HD3 PRO A 99 19.539 2.029 80.707 1.00 0.00 H new ATOM 1536 N ASP A 100 24.425 1.857 80.000 1.00 0.00 N ATOM 1537 CA ASP A 100 25.778 1.275 79.932 1.00 0.00 C ATOM 1538 C ASP A 100 26.266 1.090 81.356 1.00 0.00 C ATOM 1539 O ASP A 100 25.734 0.292 82.108 1.00 0.00 O ATOM 1540 CB ASP A 100 26.703 2.221 79.160 1.00 0.00 C ATOM 1541 CG ASP A 100 28.125 1.660 79.155 1.00 0.00 C ATOM 1542 OD1 ASP A 100 28.391 0.777 78.355 1.00 0.00 O ATOM 1543 OD2 ASP A 100 28.926 2.122 79.949 1.00 0.00 O ATOM 0 H ASP A 100 24.152 2.211 80.917 1.00 0.00 H new ATOM 0 HA ASP A 100 25.769 0.316 79.414 1.00 0.00 H new ATOM 0 HB2 ASP A 100 26.345 2.341 78.137 1.00 0.00 H new ATOM 0 HB3 ASP A 100 26.693 3.210 79.619 1.00 0.00 H new ATOM 1548 N GLY A 101 27.246 1.822 81.751 1.00 0.00 N ATOM 1549 CA GLY A 101 27.729 1.679 83.138 1.00 0.00 C ATOM 1550 C GLY A 101 26.602 2.017 84.120 1.00 0.00 C ATOM 1551 O GLY A 101 26.796 1.965 85.323 1.00 0.00 O ATOM 0 H GLY A 101 27.735 2.512 81.181 1.00 0.00 H new ATOM 0 HA2 GLY A 101 28.078 0.660 83.308 1.00 0.00 H new ATOM 0 HA3 GLY A 101 28.580 2.339 83.306 1.00 0.00 H new ATOM 1555 N LEU A 102 25.414 2.348 83.658 1.00 0.00 N ATOM 1556 CA LEU A 102 24.369 2.666 84.648 1.00 0.00 C ATOM 1557 C LEU A 102 24.255 1.540 85.603 1.00 0.00 C ATOM 1558 O LEU A 102 24.688 1.649 86.730 1.00 0.00 O ATOM 1559 CB LEU A 102 22.993 2.922 84.012 1.00 0.00 C ATOM 1560 CG LEU A 102 22.022 3.448 85.091 1.00 0.00 C ATOM 1561 CD1 LEU A 102 20.749 3.978 84.457 1.00 0.00 C ATOM 1562 CD2 LEU A 102 21.661 2.373 86.124 1.00 0.00 C ATOM 0 H LEU A 102 25.144 2.406 82.676 1.00 0.00 H new ATOM 0 HA LEU A 102 24.668 3.587 85.149 1.00 0.00 H new ATOM 0 HB2 LEU A 102 23.083 3.647 83.203 1.00 0.00 H new ATOM 0 HB3 LEU A 102 22.605 2.002 83.574 1.00 0.00 H new ATOM 0 HG LEU A 102 22.541 4.255 85.608 1.00 0.00 H new ATOM 0 HD11 LEU A 102 20.080 4.343 85.236 1.00 0.00 H new ATOM 0 HD12 LEU A 102 20.994 4.794 83.777 1.00 0.00 H new ATOM 0 HD13 LEU A 102 20.258 3.178 83.903 1.00 0.00 H new ATOM 0 HD21 LEU A 102 20.976 2.792 86.861 1.00 0.00 H new ATOM 0 HD22 LEU A 102 21.183 1.532 85.622 1.00 0.00 H new ATOM 0 HD23 LEU A 102 22.567 2.030 86.624 1.00 0.00 H new ATOM 1574 N THR A 103 23.638 0.482 85.173 1.00 0.00 N ATOM 1575 CA THR A 103 23.429 -0.662 86.075 1.00 0.00 C ATOM 1576 C THR A 103 23.373 -0.130 87.495 1.00 0.00 C ATOM 1577 O THR A 103 22.437 0.530 87.911 1.00 0.00 O ATOM 1578 CB THR A 103 24.586 -1.651 85.920 1.00 0.00 C ATOM 1579 OG1 THR A 103 24.673 -2.489 87.067 1.00 0.00 O ATOM 1580 CG2 THR A 103 25.898 -0.889 85.728 1.00 0.00 C ATOM 0 H THR A 103 23.269 0.365 84.229 1.00 0.00 H new ATOM 0 HA THR A 103 22.501 -1.181 85.836 1.00 0.00 H new ATOM 0 HB THR A 103 24.404 -2.274 85.044 1.00 0.00 H new ATOM 0 HG1 THR A 103 25.512 -2.995 87.039 1.00 0.00 H new ATOM 0 HG21 THR A 103 26.718 -1.599 85.618 1.00 0.00 H new ATOM 0 HG22 THR A 103 25.832 -0.270 84.833 1.00 0.00 H new ATOM 0 HG23 THR A 103 26.081 -0.255 86.595 1.00 0.00 H new ATOM 1588 N ALA A 104 24.357 -0.391 88.233 1.00 0.00 N ATOM 1589 CA ALA A 104 24.363 0.087 89.620 1.00 0.00 C ATOM 1590 C ALA A 104 25.064 1.442 89.768 1.00 0.00 C ATOM 1591 O ALA A 104 24.761 2.213 90.661 1.00 0.00 O ATOM 1592 CB ALA A 104 25.101 -0.932 90.411 1.00 0.00 C ATOM 0 H ALA A 104 25.180 -0.922 87.948 1.00 0.00 H new ATOM 0 HA ALA A 104 23.337 0.225 89.962 1.00 0.00 H new ATOM 0 HB1 ALA A 104 25.136 -0.626 91.456 1.00 0.00 H new ATOM 0 HB2 ALA A 104 24.592 -1.893 90.331 1.00 0.00 H new ATOM 0 HB3 ALA A 104 26.116 -1.026 90.026 1.00 0.00 H new ATOM 1598 N LEU A 105 26.027 1.721 88.947 1.00 0.00 N ATOM 1599 CA LEU A 105 26.777 2.989 89.092 1.00 0.00 C ATOM 1600 C LEU A 105 25.867 4.218 89.165 1.00 0.00 C ATOM 1601 O LEU A 105 25.907 4.952 90.130 1.00 0.00 O ATOM 1602 CB LEU A 105 27.672 3.186 87.890 1.00 0.00 C ATOM 1603 CG LEU A 105 28.456 1.930 87.575 1.00 0.00 C ATOM 1604 CD1 LEU A 105 29.483 2.276 86.501 1.00 0.00 C ATOM 1605 CD2 LEU A 105 29.180 1.458 88.832 1.00 0.00 C ATOM 0 H LEU A 105 26.329 1.123 88.178 1.00 0.00 H new ATOM 0 HA LEU A 105 27.337 2.905 90.023 1.00 0.00 H new ATOM 0 HB2 LEU A 105 27.068 3.466 87.027 1.00 0.00 H new ATOM 0 HB3 LEU A 105 28.361 4.009 88.078 1.00 0.00 H new ATOM 0 HG LEU A 105 27.790 1.140 87.228 1.00 0.00 H new ATOM 0 HD11 LEU A 105 30.064 1.388 86.254 1.00 0.00 H new ATOM 0 HD12 LEU A 105 28.970 2.634 85.609 1.00 0.00 H new ATOM 0 HD13 LEU A 105 30.150 3.054 86.873 1.00 0.00 H new ATOM 0 HD21 LEU A 105 29.746 0.553 88.608 1.00 0.00 H new ATOM 0 HD22 LEU A 105 29.862 2.237 89.173 1.00 0.00 H new ATOM 0 HD23 LEU A 105 28.451 1.246 89.614 1.00 0.00 H new ATOM 1617 N GLU A 106 25.106 4.504 88.138 1.00 0.00 N ATOM 1618 CA GLU A 106 24.280 5.747 88.179 1.00 0.00 C ATOM 1619 C GLU A 106 22.986 5.463 88.934 1.00 0.00 C ATOM 1620 O GLU A 106 22.221 6.347 89.233 1.00 0.00 O ATOM 1621 CB GLU A 106 24.011 6.262 86.716 1.00 0.00 C ATOM 1622 CG GLU A 106 22.524 6.598 86.412 1.00 0.00 C ATOM 1623 CD GLU A 106 22.194 8.016 86.893 1.00 0.00 C ATOM 1624 OE1 GLU A 106 22.806 8.456 87.852 1.00 0.00 O ATOM 1625 OE2 GLU A 106 21.328 8.637 86.293 1.00 0.00 O ATOM 0 H GLU A 106 25.022 3.943 87.290 1.00 0.00 H new ATOM 0 HA GLU A 106 24.813 6.538 88.707 1.00 0.00 H new ATOM 0 HB2 GLU A 106 24.614 7.153 86.542 1.00 0.00 H new ATOM 0 HB3 GLU A 106 24.350 5.504 86.010 1.00 0.00 H new ATOM 0 HG2 GLU A 106 22.336 6.516 85.341 1.00 0.00 H new ATOM 0 HG3 GLU A 106 21.872 5.877 86.906 1.00 0.00 H new ATOM 1632 N ALA A 107 22.725 4.232 89.234 1.00 0.00 N ATOM 1633 CA ALA A 107 21.460 3.918 89.938 1.00 0.00 C ATOM 1634 C ALA A 107 21.479 4.246 91.435 1.00 0.00 C ATOM 1635 O ALA A 107 20.475 4.662 91.980 1.00 0.00 O ATOM 1636 CB ALA A 107 21.204 2.424 89.816 1.00 0.00 C ATOM 0 H ALA A 107 23.325 3.434 89.026 1.00 0.00 H new ATOM 0 HA ALA A 107 20.689 4.532 89.473 1.00 0.00 H new ATOM 0 HB1 ALA A 107 20.276 2.171 90.328 1.00 0.00 H new ATOM 0 HB2 ALA A 107 21.123 2.154 88.763 1.00 0.00 H new ATOM 0 HB3 ALA A 107 22.030 1.875 90.269 1.00 0.00 H new ATOM 1642 N THR A 108 22.541 3.956 92.132 1.00 0.00 N ATOM 1643 CA THR A 108 22.492 4.140 93.611 1.00 0.00 C ATOM 1644 C THR A 108 23.863 4.314 94.279 1.00 0.00 C ATOM 1645 O THR A 108 24.855 4.681 93.680 1.00 0.00 O ATOM 1646 CB THR A 108 21.912 2.835 94.144 1.00 0.00 C ATOM 1647 OG1 THR A 108 21.814 2.899 95.554 1.00 0.00 O ATOM 1648 CG2 THR A 108 22.846 1.689 93.709 1.00 0.00 C ATOM 0 H THR A 108 23.422 3.607 91.755 1.00 0.00 H new ATOM 0 HA THR A 108 21.923 5.044 93.827 1.00 0.00 H new ATOM 0 HB THR A 108 20.912 2.663 93.746 1.00 0.00 H new ATOM 0 HG1 THR A 108 20.899 3.141 95.808 1.00 0.00 H new ATOM 0 HG21 THR A 108 22.455 0.741 94.078 1.00 0.00 H new ATOM 0 HG22 THR A 108 22.903 1.660 92.621 1.00 0.00 H new ATOM 0 HG23 THR A 108 23.842 1.855 94.120 1.00 0.00 H new ATOM 1656 N ASP A 109 23.867 3.995 95.559 1.00 0.00 N ATOM 1657 CA ASP A 109 25.087 4.048 96.403 1.00 0.00 C ATOM 1658 C ASP A 109 24.948 3.008 97.522 1.00 0.00 C ATOM 1659 O ASP A 109 25.822 2.849 98.350 1.00 0.00 O ATOM 1660 CB ASP A 109 25.260 5.447 96.997 1.00 0.00 C ATOM 1661 CG ASP A 109 26.611 5.536 97.709 1.00 0.00 C ATOM 1662 OD1 ASP A 109 27.586 5.845 97.046 1.00 0.00 O ATOM 1663 OD2 ASP A 109 26.648 5.298 98.902 1.00 0.00 O ATOM 0 H ASP A 109 23.033 3.689 96.061 1.00 0.00 H new ATOM 0 HA ASP A 109 25.967 3.827 95.799 1.00 0.00 H new ATOM 0 HB2 ASP A 109 25.202 6.198 96.209 1.00 0.00 H new ATOM 0 HB3 ASP A 109 24.453 5.658 97.698 1.00 0.00 H new ATOM 1668 N ASN A 110 23.861 2.276 97.527 1.00 0.00 N ATOM 1669 CA ASN A 110 23.674 1.222 98.561 1.00 0.00 C ATOM 1670 C ASN A 110 24.484 0.013 98.121 1.00 0.00 C ATOM 1671 O ASN A 110 24.467 -0.375 96.973 1.00 0.00 O ATOM 1672 CB ASN A 110 22.197 0.880 98.680 1.00 0.00 C ATOM 1673 CG ASN A 110 21.600 0.835 97.287 1.00 0.00 C ATOM 1674 OD1 ASN A 110 22.393 0.625 96.286 1.00 0.00 O flip ATOM 1675 ND2 ASN A 110 20.411 1.001 97.102 1.00 0.00 N flip ATOM 0 H ASN A 110 23.097 2.366 96.857 1.00 0.00 H new ATOM 0 HA ASN A 110 24.012 1.559 99.541 1.00 0.00 H new ATOM 0 HB2 ASN A 110 22.070 -0.081 99.178 1.00 0.00 H new ATOM 0 HB3 ASN A 110 21.684 1.625 99.288 1.00 0.00 H new ATOM 0 HD21 ASN A 110 19.790 1.166 97.894 1.00 0.00 H new ATOM 0 HD22 ASN A 110 20.034 0.975 96.155 1.00 0.00 H new ATOM 1682 N GLN A 111 25.252 -0.523 99.013 1.00 0.00 N ATOM 1683 CA GLN A 111 26.169 -1.644 98.669 1.00 0.00 C ATOM 1684 C GLN A 111 25.460 -2.987 98.422 1.00 0.00 C ATOM 1685 O GLN A 111 26.105 -3.998 98.218 1.00 0.00 O ATOM 1686 CB GLN A 111 27.154 -1.720 99.819 1.00 0.00 C ATOM 1687 CG GLN A 111 27.965 -3.016 99.795 1.00 0.00 C ATOM 1688 CD GLN A 111 29.245 -2.809 100.614 1.00 0.00 C ATOM 1689 OE1 GLN A 111 29.240 -2.977 101.819 1.00 0.00 O ATOM 1690 NE2 GLN A 111 30.349 -2.444 100.004 1.00 0.00 N ATOM 0 H GLN A 111 25.288 -0.229 99.989 1.00 0.00 H new ATOM 0 HA GLN A 111 26.660 -1.449 97.716 1.00 0.00 H new ATOM 0 HB2 GLN A 111 27.832 -0.868 99.773 1.00 0.00 H new ATOM 0 HB3 GLN A 111 26.615 -1.647 100.763 1.00 0.00 H new ATOM 0 HG2 GLN A 111 27.379 -3.836 100.210 1.00 0.00 H new ATOM 0 HG3 GLN A 111 28.213 -3.288 98.769 1.00 0.00 H new ATOM 0 HE21 GLN A 111 30.351 -2.304 98.994 1.00 0.00 H new ATOM 0 HE22 GLN A 111 31.205 -2.301 100.540 1.00 0.00 H new ATOM 1699 N ALA A 112 24.162 -3.020 98.380 1.00 0.00 N ATOM 1700 CA ALA A 112 23.471 -4.309 98.097 1.00 0.00 C ATOM 1701 C ALA A 112 23.422 -4.474 96.587 1.00 0.00 C ATOM 1702 O ALA A 112 23.674 -5.526 96.016 1.00 0.00 O ATOM 1703 CB ALA A 112 22.045 -4.228 98.633 1.00 0.00 C ATOM 0 H ALA A 112 23.550 -2.218 98.528 1.00 0.00 H new ATOM 0 HA ALA A 112 23.991 -5.146 98.564 1.00 0.00 H new ATOM 0 HB1 ALA A 112 21.527 -5.166 98.432 1.00 0.00 H new ATOM 0 HB2 ALA A 112 22.070 -4.050 99.708 1.00 0.00 H new ATOM 0 HB3 ALA A 112 21.518 -3.410 98.142 1.00 0.00 H new ATOM 1709 N ILE A 113 23.135 -3.401 95.953 1.00 0.00 N ATOM 1710 CA ILE A 113 23.068 -3.380 94.481 1.00 0.00 C ATOM 1711 C ILE A 113 24.476 -3.466 93.970 1.00 0.00 C ATOM 1712 O ILE A 113 24.825 -4.301 93.163 1.00 0.00 O ATOM 1713 CB ILE A 113 22.526 -2.029 94.015 1.00 0.00 C ATOM 1714 CG1 ILE A 113 21.068 -1.817 94.440 1.00 0.00 C ATOM 1715 CG2 ILE A 113 22.605 -1.945 92.485 1.00 0.00 C ATOM 1716 CD1 ILE A 113 20.906 -2.012 95.938 1.00 0.00 C ATOM 0 H ILE A 113 22.937 -2.506 96.401 1.00 0.00 H new ATOM 0 HA ILE A 113 22.437 -4.195 94.127 1.00 0.00 H new ATOM 0 HB ILE A 113 23.136 -1.255 94.480 1.00 0.00 H new ATOM 0 HG12 ILE A 113 20.747 -0.813 94.163 1.00 0.00 H new ATOM 0 HG13 ILE A 113 20.424 -2.516 93.906 1.00 0.00 H new ATOM 0 HG21 ILE A 113 22.218 -0.981 92.153 1.00 0.00 H new ATOM 0 HG22 ILE A 113 23.643 -2.048 92.168 1.00 0.00 H new ATOM 0 HG23 ILE A 113 22.010 -2.746 92.045 1.00 0.00 H new ATOM 0 HD11 ILE A 113 19.863 -1.856 96.215 1.00 0.00 H new ATOM 0 HD12 ILE A 113 21.205 -3.025 96.208 1.00 0.00 H new ATOM 0 HD13 ILE A 113 21.533 -1.295 96.468 1.00 0.00 H new ATOM 1728 N LYS A 114 25.278 -2.558 94.440 1.00 0.00 N ATOM 1729 CA LYS A 114 26.670 -2.501 93.997 1.00 0.00 C ATOM 1730 C LYS A 114 27.247 -3.911 94.125 1.00 0.00 C ATOM 1731 O LYS A 114 28.281 -4.229 93.563 1.00 0.00 O ATOM 1732 CB LYS A 114 27.444 -1.458 94.822 1.00 0.00 C ATOM 1733 CG LYS A 114 26.575 -0.170 95.042 1.00 0.00 C ATOM 1734 CD LYS A 114 27.180 1.061 94.342 1.00 0.00 C ATOM 1735 CE LYS A 114 26.811 1.051 92.864 1.00 0.00 C ATOM 1736 NZ LYS A 114 25.359 1.333 92.733 1.00 0.00 N ATOM 0 H LYS A 114 25.013 -1.848 95.122 1.00 0.00 H new ATOM 0 HA LYS A 114 26.751 -2.182 92.958 1.00 0.00 H new ATOM 0 HB2 LYS A 114 27.723 -1.884 95.786 1.00 0.00 H new ATOM 0 HB3 LYS A 114 28.369 -1.195 94.309 1.00 0.00 H new ATOM 0 HG2 LYS A 114 25.568 -0.343 94.664 1.00 0.00 H new ATOM 0 HG3 LYS A 114 26.485 0.028 96.110 1.00 0.00 H new ATOM 0 HD2 LYS A 114 26.813 1.974 94.811 1.00 0.00 H new ATOM 0 HD3 LYS A 114 28.264 1.058 94.455 1.00 0.00 H new ATOM 0 HE2 LYS A 114 27.391 1.800 92.325 1.00 0.00 H new ATOM 0 HE3 LYS A 114 27.049 0.084 92.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 25.182 1.833 91.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 24.830 0.438 92.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 25.047 1.926 93.529 1.00 0.00 H new ATOM 1750 N ALA A 115 26.534 -4.771 94.817 1.00 0.00 N ATOM 1751 CA ALA A 115 26.968 -6.174 94.932 1.00 0.00 C ATOM 1752 C ALA A 115 26.879 -6.779 93.536 1.00 0.00 C ATOM 1753 O ALA A 115 27.764 -7.492 93.107 1.00 0.00 O ATOM 1754 CB ALA A 115 26.064 -6.946 95.894 1.00 0.00 C ATOM 0 H ALA A 115 25.667 -4.546 95.305 1.00 0.00 H new ATOM 0 HA ALA A 115 27.983 -6.228 95.325 1.00 0.00 H new ATOM 0 HB1 ALA A 115 26.404 -7.979 95.963 1.00 0.00 H new ATOM 0 HB2 ALA A 115 26.104 -6.484 96.881 1.00 0.00 H new ATOM 0 HB3 ALA A 115 25.038 -6.925 95.525 1.00 0.00 H new ATOM 1760 N LEU A 116 25.839 -6.494 92.786 1.00 0.00 N ATOM 1761 CA LEU A 116 25.799 -7.077 91.420 1.00 0.00 C ATOM 1762 C LEU A 116 26.934 -6.455 90.608 1.00 0.00 C ATOM 1763 O LEU A 116 27.389 -7.019 89.635 1.00 0.00 O ATOM 1764 CB LEU A 116 24.462 -6.767 90.713 1.00 0.00 C ATOM 1765 CG LEU A 116 23.449 -7.928 90.789 1.00 0.00 C ATOM 1766 CD1 LEU A 116 22.356 -7.688 89.740 1.00 0.00 C ATOM 1767 CD2 LEU A 116 24.103 -9.289 90.513 1.00 0.00 C ATOM 0 H LEU A 116 25.049 -5.906 93.052 1.00 0.00 H new ATOM 0 HA LEU A 116 25.903 -8.159 91.496 1.00 0.00 H new ATOM 0 HB2 LEU A 116 24.019 -5.878 91.161 1.00 0.00 H new ATOM 0 HB3 LEU A 116 24.658 -6.533 89.667 1.00 0.00 H new ATOM 0 HG LEU A 116 23.040 -7.953 91.799 1.00 0.00 H new ATOM 0 HD11 LEU A 116 21.630 -8.500 89.779 1.00 0.00 H new ATOM 0 HD12 LEU A 116 21.855 -6.742 89.947 1.00 0.00 H new ATOM 0 HD13 LEU A 116 22.806 -7.651 88.748 1.00 0.00 H new ATOM 0 HD21 LEU A 116 23.350 -10.074 90.578 1.00 0.00 H new ATOM 0 HD22 LEU A 116 24.540 -9.287 89.514 1.00 0.00 H new ATOM 0 HD23 LEU A 116 24.884 -9.474 91.250 1.00 0.00 H new ATOM 1779 N LEU A 117 27.393 -5.301 90.986 1.00 0.00 N ATOM 1780 CA LEU A 117 28.485 -4.661 90.208 1.00 0.00 C ATOM 1781 C LEU A 117 29.781 -5.395 90.493 1.00 0.00 C ATOM 1782 O LEU A 117 30.854 -4.986 90.092 1.00 0.00 O ATOM 1783 CB LEU A 117 28.596 -3.181 90.623 1.00 0.00 C ATOM 1784 CG LEU A 117 28.837 -2.297 89.402 1.00 0.00 C ATOM 1785 CD1 LEU A 117 30.138 -2.717 88.735 1.00 0.00 C ATOM 1786 CD2 LEU A 117 27.646 -2.409 88.415 1.00 0.00 C ATOM 0 H LEU A 117 27.063 -4.774 91.795 1.00 0.00 H new ATOM 0 HA LEU A 117 28.276 -4.711 89.139 1.00 0.00 H new ATOM 0 HB2 LEU A 117 27.682 -2.870 91.129 1.00 0.00 H new ATOM 0 HB3 LEU A 117 29.412 -3.058 91.335 1.00 0.00 H new ATOM 0 HG LEU A 117 28.916 -1.255 89.711 1.00 0.00 H new ATOM 0 HD11 LEU A 117 30.318 -2.090 87.861 1.00 0.00 H new ATOM 0 HD12 LEU A 117 30.962 -2.602 89.440 1.00 0.00 H new ATOM 0 HD13 LEU A 117 30.068 -3.760 88.425 1.00 0.00 H new ATOM 0 HD21 LEU A 117 27.830 -1.774 87.549 1.00 0.00 H new ATOM 0 HD22 LEU A 117 27.539 -3.444 88.090 1.00 0.00 H new ATOM 0 HD23 LEU A 117 26.730 -2.088 88.912 1.00 0.00 H new ATOM 1798 N GLN A 118 29.689 -6.484 91.174 1.00 0.00 N ATOM 1799 CA GLN A 118 30.906 -7.256 91.484 1.00 0.00 C ATOM 1800 C GLN A 118 31.451 -7.900 90.201 1.00 0.00 C ATOM 1801 O GLN A 118 32.598 -8.308 90.205 1.00 0.00 O ATOM 1802 CB GLN A 118 30.545 -8.348 92.496 1.00 0.00 C ATOM 1803 CG GLN A 118 29.649 -9.405 91.839 1.00 0.00 C ATOM 1804 CD GLN A 118 30.503 -10.399 91.054 1.00 0.00 C ATOM 1805 OE1 GLN A 118 31.637 -10.662 91.408 1.00 0.00 O ATOM 1806 NE2 GLN A 118 30.007 -10.965 89.993 1.00 0.00 N ATOM 1807 OXT GLN A 118 30.707 -7.973 89.232 1.00 0.00 O ATOM 0 H GLN A 118 28.819 -6.877 91.533 1.00 0.00 H new ATOM 0 HA GLN A 118 31.669 -6.598 91.900 1.00 0.00 H new ATOM 0 HB2 GLN A 118 31.453 -8.816 92.876 1.00 0.00 H new ATOM 0 HB3 GLN A 118 30.032 -7.907 93.351 1.00 0.00 H new ATOM 0 HG2 GLN A 118 29.073 -9.930 92.601 1.00 0.00 H new ATOM 0 HG3 GLN A 118 28.932 -8.924 91.174 1.00 0.00 H new ATOM 0 HE21 GLN A 118 29.057 -10.746 89.695 1.00 0.00 H new ATOM 0 HE22 GLN A 118 30.569 -11.628 89.459 1.00 0.00 H new