USER MOD reduce.3.24.130724 H: found=0, std=0, add=1033, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1034 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 126 TYR OH : rot 8:sc= 0.989 USER MOD Set 1.2: A 130 MET CE :methyl -112:sc= -4.33! (180deg=-8.65!) USER MOD Set 2.1: A 105 GLN : amide:sc= -0.326 K(o=0.044,f=-1.4) USER MOD Set 2.2: A 106 SER OG : rot -8:sc= 0.371 USER MOD Set 3.1: A 97 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 100 SER OG : rot -110:sc= 0.927 USER MOD Set 4.1: A 90 THR OG1 : rot -33:sc= 1.22 USER MOD Set 4.2: A 91 ASN : amide:sc= 0.52 K(o=1.7,f=1.1) USER MOD Set 5.1: A 40 ASN : amide:sc= 1.74 K(o=2.5,f=1.9) USER MOD Set 5.2: A 80 ASN : amide:sc= 0.791 K(o=2.5,f=1.9) USER MOD Set 6.1: A 73 THR OG1 : rot 180:sc= 0.928 USER MOD Set 6.2: A 86 LYS NZ :NH3+ 140:sc= 1.07 (180deg=0) USER MOD Set 7.1: A 53 SER OG : rot -120:sc= 1.08 USER MOD Set 7.2: A 62 LYS NZ :NH3+ 173:sc= 2.34 (180deg=1.09) USER MOD Set 8.1: A 29 THR OG1 : rot 143:sc= 0.0641 USER MOD Set 8.2: A 33 LYS NZ :NH3+ -140:sc= 0.918 (180deg=0.248) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 155:sc= 1.2 (180deg=1.06) USER MOD Single : A 14 SER OG : rot 96:sc= 0.86 USER MOD Single : A 17 LYS NZ :NH3+ 153:sc= -0.225 (180deg=-2.27!) USER MOD Single : A 20 SER OG : rot 78:sc= 0.516 USER MOD Single : A 21 HIS : no HD1:sc= 0.495 K(o=0.49,f=-4.8!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= -0.625 USER MOD Single : A 47 CYS SG : rot 180:sc= -3.34! USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -159:sc= -0.0968 (180deg=-0.655) USER MOD Single : A 57 GLN : amide:sc= -0.116 X(o=-0.12,f=-0.12) USER MOD Single : A 58 GLN : amide:sc= -0.18 K(o=-0.18,f=-1.4) USER MOD Single : A 60 HIS : no HD1:sc= -1.27 K(o=-1.3,f=0.39) USER MOD Single : A 64 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00295) USER MOD Single : A 67 TYR OH : rot 180:sc= -0.556 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0.0473 K(o=0.047,f=-3.9!) USER MOD Single : A 77 LYS NZ :NH3+ 164:sc= -0.022 (180deg=-0.242) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 85 THR OG1 : rot 94:sc= 1.24 USER MOD Single : A 92 SER OG : rot -36:sc= 0.637 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 99 HIS : no HE2:sc= 0.639 K(o=0.64,f=-5.1!) USER MOD Single : A 109 TYR OH : rot 130:sc= -0.0797 USER MOD Single : A 110 GLN : amide:sc= -0.549 X(o=-0.55,f=-0.81) USER MOD Single : A 112 MET CE :methyl -138:sc= -2.35 (180deg=-4.15) USER MOD Single : A 114 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 116 SER OG : rot -19:sc= 0.201 USER MOD Single : A 117 TYR OH : rot 25:sc= 1.25 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 161:sc= -0.0352 (180deg=-0.315) USER MOD Single : A 123 SER OG : rot -47:sc= 1.33 USER MOD ----------------------------------------------------------------- ATOM 31 N VAL A 3 140.846 5.477 4.376 1.00 0.00 N ATOM 32 CA VAL A 3 141.103 5.501 2.958 1.00 0.00 C ATOM 33 C VAL A 3 141.662 6.855 2.530 1.00 0.00 C ATOM 34 O VAL A 3 141.182 7.916 2.962 1.00 0.00 O ATOM 35 CB VAL A 3 139.823 5.113 2.147 1.00 0.00 C ATOM 36 CG1 VAL A 3 138.623 5.863 2.656 1.00 0.00 C ATOM 37 CG2 VAL A 3 139.975 5.374 0.650 1.00 0.00 C ATOM 0 HA VAL A 3 141.862 4.751 2.735 1.00 0.00 H new ATOM 0 HB VAL A 3 139.683 4.042 2.291 1.00 0.00 H new ATOM 0 HG11 VAL A 3 137.744 5.578 2.078 1.00 0.00 H new ATOM 0 HG12 VAL A 3 138.461 5.621 3.706 1.00 0.00 H new ATOM 0 HG13 VAL A 3 138.793 6.935 2.553 1.00 0.00 H new ATOM 0 HG21 VAL A 3 139.058 5.087 0.136 1.00 0.00 H new ATOM 0 HG22 VAL A 3 140.168 6.434 0.483 1.00 0.00 H new ATOM 0 HG23 VAL A 3 140.808 4.788 0.261 1.00 0.00 H new ATOM 47 N SER A 4 142.703 6.799 1.753 1.00 0.00 N ATOM 48 CA SER A 4 143.339 7.962 1.216 1.00 0.00 C ATOM 49 C SER A 4 142.471 8.553 0.103 1.00 0.00 C ATOM 50 O SER A 4 141.793 7.805 -0.625 1.00 0.00 O ATOM 51 CB SER A 4 144.728 7.567 0.715 1.00 0.00 C ATOM 52 OG SER A 4 145.492 6.976 1.776 1.00 0.00 O ATOM 0 H SER A 4 143.142 5.923 1.470 1.00 0.00 H new ATOM 0 HA SER A 4 143.455 8.732 1.979 1.00 0.00 H new ATOM 0 HB2 SER A 4 144.637 6.863 -0.112 1.00 0.00 H new ATOM 0 HB3 SER A 4 145.246 8.445 0.330 1.00 0.00 H new ATOM 0 HG SER A 4 146.378 6.726 1.441 1.00 0.00 H new ATOM 58 N PRO A 5 142.448 9.907 -0.019 1.00 0.00 N ATOM 59 CA PRO A 5 141.643 10.639 -1.016 1.00 0.00 C ATOM 60 C PRO A 5 141.731 10.063 -2.429 1.00 0.00 C ATOM 61 O PRO A 5 140.765 10.114 -3.179 1.00 0.00 O ATOM 62 CB PRO A 5 142.250 12.036 -0.997 1.00 0.00 C ATOM 63 CG PRO A 5 142.752 12.205 0.385 1.00 0.00 C ATOM 64 CD PRO A 5 143.205 10.844 0.845 1.00 0.00 C ATOM 0 HA PRO A 5 140.583 10.592 -0.766 1.00 0.00 H new ATOM 0 HB2 PRO A 5 143.055 12.128 -1.726 1.00 0.00 H new ATOM 0 HB3 PRO A 5 141.507 12.794 -1.245 1.00 0.00 H new ATOM 0 HG2 PRO A 5 143.576 12.918 0.414 1.00 0.00 H new ATOM 0 HG3 PRO A 5 141.970 12.594 1.037 1.00 0.00 H new ATOM 0 HD2 PRO A 5 144.281 10.719 0.724 1.00 0.00 H new ATOM 0 HD3 PRO A 5 142.982 10.684 1.900 1.00 0.00 H new ATOM 72 N GLU A 6 142.871 9.498 -2.772 1.00 0.00 N ATOM 73 CA GLU A 6 143.074 8.944 -4.103 1.00 0.00 C ATOM 74 C GLU A 6 142.191 7.714 -4.323 1.00 0.00 C ATOM 75 O GLU A 6 141.497 7.601 -5.335 1.00 0.00 O ATOM 76 CB GLU A 6 144.540 8.603 -4.330 1.00 0.00 C ATOM 77 CG GLU A 6 144.870 8.234 -5.760 1.00 0.00 C ATOM 78 CD GLU A 6 144.511 9.334 -6.723 1.00 0.00 C ATOM 79 OE1 GLU A 6 145.092 10.436 -6.635 1.00 0.00 O ATOM 80 OE2 GLU A 6 143.643 9.125 -7.578 1.00 0.00 O ATOM 0 H GLU A 6 143.674 9.408 -2.150 1.00 0.00 H new ATOM 0 HA GLU A 6 142.785 9.702 -4.831 1.00 0.00 H new ATOM 0 HB2 GLU A 6 145.151 9.456 -4.035 1.00 0.00 H new ATOM 0 HB3 GLU A 6 144.815 7.774 -3.678 1.00 0.00 H new ATOM 0 HG2 GLU A 6 145.934 8.014 -5.841 1.00 0.00 H new ATOM 0 HG3 GLU A 6 144.335 7.324 -6.033 1.00 0.00 H new ATOM 87 N GLU A 7 142.173 6.822 -3.366 1.00 0.00 N ATOM 88 CA GLU A 7 141.349 5.643 -3.495 1.00 0.00 C ATOM 89 C GLU A 7 139.897 6.043 -3.346 1.00 0.00 C ATOM 90 O GLU A 7 139.013 5.477 -3.975 1.00 0.00 O ATOM 91 CB GLU A 7 141.710 4.601 -2.447 1.00 0.00 C ATOM 92 CG GLU A 7 140.933 3.301 -2.573 1.00 0.00 C ATOM 93 CD GLU A 7 141.239 2.535 -3.849 1.00 0.00 C ATOM 94 OE1 GLU A 7 142.201 2.901 -4.570 1.00 0.00 O ATOM 95 OE2 GLU A 7 140.576 1.509 -4.104 1.00 0.00 O ATOM 0 H GLU A 7 142.710 6.885 -2.501 1.00 0.00 H new ATOM 0 HA GLU A 7 141.519 5.200 -4.476 1.00 0.00 H new ATOM 0 HB2 GLU A 7 142.776 4.383 -2.518 1.00 0.00 H new ATOM 0 HB3 GLU A 7 141.536 5.022 -1.457 1.00 0.00 H new ATOM 0 HG2 GLU A 7 141.158 2.667 -1.715 1.00 0.00 H new ATOM 0 HG3 GLU A 7 139.866 3.519 -2.537 1.00 0.00 H new ATOM 102 N ALA A 8 139.670 7.045 -2.533 1.00 0.00 N ATOM 103 CA ALA A 8 138.353 7.546 -2.314 1.00 0.00 C ATOM 104 C ALA A 8 137.771 8.155 -3.613 1.00 0.00 C ATOM 105 O ALA A 8 136.616 7.917 -3.928 1.00 0.00 O ATOM 106 CB ALA A 8 138.336 8.499 -1.113 1.00 0.00 C ATOM 0 H ALA A 8 140.398 7.530 -2.009 1.00 0.00 H new ATOM 0 HA ALA A 8 137.687 6.723 -2.054 1.00 0.00 H new ATOM 0 HB1 ALA A 8 137.324 8.873 -0.959 1.00 0.00 H new ATOM 0 HB2 ALA A 8 138.666 7.966 -0.221 1.00 0.00 H new ATOM 0 HB3 ALA A 8 139.007 9.337 -1.304 1.00 0.00 H new ATOM 112 N VAL A 9 138.585 8.910 -4.399 1.00 0.00 N ATOM 113 CA VAL A 9 138.104 9.433 -5.707 1.00 0.00 C ATOM 114 C VAL A 9 137.795 8.290 -6.674 1.00 0.00 C ATOM 115 O VAL A 9 136.917 8.412 -7.532 1.00 0.00 O ATOM 116 CB VAL A 9 139.047 10.483 -6.414 1.00 0.00 C ATOM 117 CG1 VAL A 9 139.335 11.671 -5.536 1.00 0.00 C ATOM 118 CG2 VAL A 9 140.334 9.879 -6.939 1.00 0.00 C ATOM 0 H VAL A 9 139.544 9.163 -4.162 1.00 0.00 H new ATOM 0 HA VAL A 9 137.197 9.981 -5.452 1.00 0.00 H new ATOM 0 HB VAL A 9 138.486 10.831 -7.281 1.00 0.00 H new ATOM 0 HG11 VAL A 9 139.987 12.365 -6.066 1.00 0.00 H new ATOM 0 HG12 VAL A 9 138.400 12.172 -5.284 1.00 0.00 H new ATOM 0 HG13 VAL A 9 139.826 11.337 -4.622 1.00 0.00 H new ATOM 0 HG21 VAL A 9 140.934 10.656 -7.412 1.00 0.00 H new ATOM 0 HG22 VAL A 9 140.894 9.441 -6.113 1.00 0.00 H new ATOM 0 HG23 VAL A 9 140.101 9.105 -7.670 1.00 0.00 H new ATOM 128 N LYS A 10 138.508 7.174 -6.520 1.00 0.00 N ATOM 129 CA LYS A 10 138.249 5.957 -7.308 1.00 0.00 C ATOM 130 C LYS A 10 136.844 5.419 -7.041 1.00 0.00 C ATOM 131 O LYS A 10 136.232 4.798 -7.894 1.00 0.00 O ATOM 132 CB LYS A 10 139.292 4.871 -7.010 1.00 0.00 C ATOM 133 CG LYS A 10 140.485 4.810 -7.956 1.00 0.00 C ATOM 134 CD LYS A 10 141.191 6.136 -8.121 1.00 0.00 C ATOM 135 CE LYS A 10 142.449 5.955 -8.932 1.00 0.00 C ATOM 136 NZ LYS A 10 143.092 7.231 -9.276 1.00 0.00 N ATOM 0 H LYS A 10 139.275 7.082 -5.854 1.00 0.00 H new ATOM 0 HA LYS A 10 138.324 6.229 -8.361 1.00 0.00 H new ATOM 0 HB2 LYS A 10 139.665 5.022 -5.997 1.00 0.00 H new ATOM 0 HB3 LYS A 10 138.793 3.902 -7.025 1.00 0.00 H new ATOM 0 HG2 LYS A 10 141.196 4.072 -7.584 1.00 0.00 H new ATOM 0 HG3 LYS A 10 140.147 4.463 -8.933 1.00 0.00 H new ATOM 0 HD2 LYS A 10 140.531 6.850 -8.614 1.00 0.00 H new ATOM 0 HD3 LYS A 10 141.436 6.551 -7.143 1.00 0.00 H new ATOM 0 HE2 LYS A 10 143.152 5.338 -8.372 1.00 0.00 H new ATOM 0 HE3 LYS A 10 142.211 5.414 -9.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 144.107 7.075 -9.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 142.658 7.617 -10.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 142.967 7.905 -8.494 1.00 0.00 H new ATOM 150 N TRP A 11 136.323 5.690 -5.867 1.00 0.00 N ATOM 151 CA TRP A 11 134.977 5.255 -5.512 1.00 0.00 C ATOM 152 C TRP A 11 133.945 6.056 -6.276 1.00 0.00 C ATOM 153 O TRP A 11 132.806 5.631 -6.438 1.00 0.00 O ATOM 154 CB TRP A 11 134.723 5.426 -4.026 1.00 0.00 C ATOM 155 CG TRP A 11 135.612 4.622 -3.144 1.00 0.00 C ATOM 156 CD1 TRP A 11 136.487 3.643 -3.512 1.00 0.00 C ATOM 157 CD2 TRP A 11 135.680 4.710 -1.733 1.00 0.00 C ATOM 158 NE1 TRP A 11 137.109 3.138 -2.412 1.00 0.00 N ATOM 159 CE2 TRP A 11 136.621 3.768 -1.301 1.00 0.00 C ATOM 160 CE3 TRP A 11 135.031 5.506 -0.787 1.00 0.00 C ATOM 161 CZ2 TRP A 11 136.928 3.591 0.032 1.00 0.00 C ATOM 162 CZ3 TRP A 11 135.333 5.324 0.542 1.00 0.00 C ATOM 163 CH2 TRP A 11 136.270 4.372 0.936 1.00 0.00 C ATOM 0 H TRP A 11 136.806 6.210 -5.135 1.00 0.00 H new ATOM 0 HA TRP A 11 134.894 4.200 -5.771 1.00 0.00 H new ATOM 0 HB2 TRP A 11 134.838 6.479 -3.771 1.00 0.00 H new ATOM 0 HB3 TRP A 11 133.688 5.158 -3.816 1.00 0.00 H new ATOM 0 HD1 TRP A 11 136.661 3.317 -4.527 1.00 0.00 H new ATOM 0 HE1 TRP A 11 137.822 2.409 -2.416 1.00 0.00 H new ATOM 0 HE3 TRP A 11 134.308 6.248 -1.092 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 137.660 2.863 0.347 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 134.838 5.926 1.289 1.00 0.00 H new ATOM 0 HH2 TRP A 11 136.482 4.249 1.988 1.00 0.00 H new ATOM 174 N GLY A 12 134.378 7.193 -6.789 1.00 0.00 N ATOM 175 CA GLY A 12 133.507 8.092 -7.497 1.00 0.00 C ATOM 176 C GLY A 12 133.286 7.690 -8.937 1.00 0.00 C ATOM 177 O GLY A 12 132.650 8.424 -9.699 1.00 0.00 O ATOM 0 H GLY A 12 135.344 7.513 -6.723 1.00 0.00 H new ATOM 0 HA2 GLY A 12 132.545 8.135 -6.986 1.00 0.00 H new ATOM 0 HA3 GLY A 12 133.929 9.097 -7.467 1.00 0.00 H new ATOM 181 N GLU A 13 133.817 6.548 -9.333 1.00 0.00 N ATOM 182 CA GLU A 13 133.584 6.066 -10.669 1.00 0.00 C ATOM 183 C GLU A 13 132.756 4.772 -10.706 1.00 0.00 C ATOM 184 O GLU A 13 131.961 4.570 -11.634 1.00 0.00 O ATOM 185 CB GLU A 13 134.877 6.059 -11.535 1.00 0.00 C ATOM 186 CG GLU A 13 136.095 5.328 -10.964 1.00 0.00 C ATOM 187 CD GLU A 13 136.063 3.837 -11.159 1.00 0.00 C ATOM 188 OE1 GLU A 13 136.518 3.368 -12.207 1.00 0.00 O ATOM 189 OE2 GLU A 13 135.594 3.104 -10.278 1.00 0.00 O ATOM 0 H GLU A 13 134.404 5.948 -8.753 1.00 0.00 H new ATOM 0 HA GLU A 13 132.939 6.793 -11.163 1.00 0.00 H new ATOM 0 HB2 GLU A 13 134.636 5.612 -12.499 1.00 0.00 H new ATOM 0 HB3 GLU A 13 135.162 7.094 -11.726 1.00 0.00 H new ATOM 0 HG2 GLU A 13 136.996 5.726 -11.431 1.00 0.00 H new ATOM 0 HG3 GLU A 13 136.167 5.543 -9.898 1.00 0.00 H new ATOM 196 N SER A 14 132.900 3.919 -9.695 1.00 0.00 N ATOM 197 CA SER A 14 132.108 2.696 -9.617 1.00 0.00 C ATOM 198 C SER A 14 131.650 2.438 -8.171 1.00 0.00 C ATOM 199 O SER A 14 132.488 2.285 -7.265 1.00 0.00 O ATOM 200 CB SER A 14 132.928 1.490 -10.108 1.00 0.00 C ATOM 201 OG SER A 14 133.559 1.762 -11.357 1.00 0.00 O ATOM 0 H SER A 14 133.554 4.051 -8.923 1.00 0.00 H new ATOM 0 HA SER A 14 131.233 2.823 -10.255 1.00 0.00 H new ATOM 0 HB2 SER A 14 133.684 1.236 -9.365 1.00 0.00 H new ATOM 0 HB3 SER A 14 132.276 0.622 -10.210 1.00 0.00 H new ATOM 0 HG SER A 14 134.480 2.060 -11.201 1.00 0.00 H new ATOM 207 N PHE A 15 130.337 2.385 -7.967 1.00 0.00 N ATOM 208 CA PHE A 15 129.732 2.082 -6.660 1.00 0.00 C ATOM 209 C PHE A 15 130.203 0.715 -6.170 1.00 0.00 C ATOM 210 O PHE A 15 130.430 0.521 -4.994 1.00 0.00 O ATOM 211 CB PHE A 15 128.189 2.142 -6.761 1.00 0.00 C ATOM 212 CG PHE A 15 127.415 1.746 -5.513 1.00 0.00 C ATOM 213 CD1 PHE A 15 127.666 2.342 -4.286 1.00 0.00 C ATOM 214 CD2 PHE A 15 126.416 0.790 -5.586 1.00 0.00 C ATOM 215 CE1 PHE A 15 126.937 1.986 -3.162 1.00 0.00 C ATOM 216 CE2 PHE A 15 125.690 0.436 -4.463 1.00 0.00 C ATOM 217 CZ PHE A 15 125.952 1.035 -3.257 1.00 0.00 C ATOM 0 H PHE A 15 129.652 2.551 -8.705 1.00 0.00 H new ATOM 0 HA PHE A 15 130.051 2.830 -5.934 1.00 0.00 H new ATOM 0 HB2 PHE A 15 127.903 3.158 -7.032 1.00 0.00 H new ATOM 0 HB3 PHE A 15 127.874 1.493 -7.579 1.00 0.00 H new ATOM 0 HD1 PHE A 15 128.439 3.092 -4.205 1.00 0.00 H new ATOM 0 HD2 PHE A 15 126.201 0.315 -6.532 1.00 0.00 H new ATOM 0 HE1 PHE A 15 127.144 2.457 -2.212 1.00 0.00 H new ATOM 0 HE2 PHE A 15 124.916 -0.313 -4.536 1.00 0.00 H new ATOM 0 HZ PHE A 15 125.383 0.758 -2.382 1.00 0.00 H new ATOM 227 N ASP A 16 130.372 -0.206 -7.100 1.00 0.00 N ATOM 228 CA ASP A 16 130.900 -1.552 -6.820 1.00 0.00 C ATOM 229 C ASP A 16 132.265 -1.490 -6.119 1.00 0.00 C ATOM 230 O ASP A 16 132.500 -2.195 -5.143 1.00 0.00 O ATOM 231 CB ASP A 16 131.020 -2.337 -8.125 1.00 0.00 C ATOM 232 CG ASP A 16 131.705 -3.683 -7.974 1.00 0.00 C ATOM 233 OD1 ASP A 16 131.043 -4.672 -7.592 1.00 0.00 O ATOM 234 OD2 ASP A 16 132.912 -3.778 -8.283 1.00 0.00 O ATOM 0 H ASP A 16 130.148 -0.052 -8.083 1.00 0.00 H new ATOM 0 HA ASP A 16 130.204 -2.055 -6.148 1.00 0.00 H new ATOM 0 HB2 ASP A 16 130.023 -2.492 -8.537 1.00 0.00 H new ATOM 0 HB3 ASP A 16 131.574 -1.738 -8.848 1.00 0.00 H new ATOM 239 N LYS A 17 133.129 -0.597 -6.591 1.00 0.00 N ATOM 240 CA LYS A 17 134.473 -0.426 -6.028 1.00 0.00 C ATOM 241 C LYS A 17 134.377 0.086 -4.595 1.00 0.00 C ATOM 242 O LYS A 17 135.087 -0.368 -3.692 1.00 0.00 O ATOM 243 CB LYS A 17 135.277 0.556 -6.889 1.00 0.00 C ATOM 244 CG LYS A 17 136.611 0.940 -6.291 1.00 0.00 C ATOM 245 CD LYS A 17 137.442 1.879 -7.178 1.00 0.00 C ATOM 246 CE LYS A 17 137.984 1.239 -8.476 1.00 0.00 C ATOM 247 NZ LYS A 17 136.949 0.972 -9.503 1.00 0.00 N ATOM 0 H LYS A 17 132.923 0.028 -7.370 1.00 0.00 H new ATOM 0 HA LYS A 17 134.983 -1.389 -6.022 1.00 0.00 H new ATOM 0 HB2 LYS A 17 135.444 0.112 -7.871 1.00 0.00 H new ATOM 0 HB3 LYS A 17 134.685 1.458 -7.043 1.00 0.00 H new ATOM 0 HG2 LYS A 17 136.442 1.421 -5.328 1.00 0.00 H new ATOM 0 HG3 LYS A 17 137.186 0.034 -6.098 1.00 0.00 H new ATOM 0 HD2 LYS A 17 136.829 2.741 -7.444 1.00 0.00 H new ATOM 0 HD3 LYS A 17 138.284 2.254 -6.596 1.00 0.00 H new ATOM 0 HE2 LYS A 17 138.741 1.897 -8.903 1.00 0.00 H new ATOM 0 HE3 LYS A 17 138.481 0.302 -8.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 137.384 0.989 -10.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 136.525 0.038 -9.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 136.210 1.702 -9.450 1.00 0.00 H new ATOM 261 N LEU A 18 133.486 1.018 -4.422 1.00 0.00 N ATOM 262 CA LEU A 18 133.170 1.610 -3.144 1.00 0.00 C ATOM 263 C LEU A 18 132.632 0.554 -2.184 1.00 0.00 C ATOM 264 O LEU A 18 133.071 0.437 -1.048 1.00 0.00 O ATOM 265 CB LEU A 18 132.096 2.674 -3.400 1.00 0.00 C ATOM 266 CG LEU A 18 131.299 3.193 -2.207 1.00 0.00 C ATOM 267 CD1 LEU A 18 132.170 3.938 -1.247 1.00 0.00 C ATOM 268 CD2 LEU A 18 130.195 4.074 -2.692 1.00 0.00 C ATOM 0 H LEU A 18 132.937 1.404 -5.190 1.00 0.00 H new ATOM 0 HA LEU A 18 134.061 2.046 -2.692 1.00 0.00 H new ATOM 0 HB2 LEU A 18 132.579 3.528 -3.875 1.00 0.00 H new ATOM 0 HB3 LEU A 18 131.388 2.266 -4.122 1.00 0.00 H new ATOM 0 HG LEU A 18 130.881 2.338 -1.676 1.00 0.00 H new ATOM 0 HD11 LEU A 18 131.569 4.293 -0.410 1.00 0.00 H new ATOM 0 HD12 LEU A 18 132.952 3.276 -0.876 1.00 0.00 H new ATOM 0 HD13 LEU A 18 132.625 4.789 -1.754 1.00 0.00 H new ATOM 0 HD21 LEU A 18 129.625 4.445 -1.840 1.00 0.00 H new ATOM 0 HD22 LEU A 18 130.616 4.916 -3.242 1.00 0.00 H new ATOM 0 HD23 LEU A 18 129.537 3.505 -3.349 1.00 0.00 H new ATOM 280 N LEU A 19 131.737 -0.228 -2.689 1.00 0.00 N ATOM 281 CA LEU A 19 130.977 -1.161 -1.920 1.00 0.00 C ATOM 282 C LEU A 19 131.779 -2.414 -1.531 1.00 0.00 C ATOM 283 O LEU A 19 131.538 -3.014 -0.479 1.00 0.00 O ATOM 284 CB LEU A 19 129.760 -1.518 -2.732 1.00 0.00 C ATOM 285 CG LEU A 19 128.555 -1.982 -1.977 1.00 0.00 C ATOM 286 CD1 LEU A 19 128.145 -0.904 -0.950 1.00 0.00 C ATOM 287 CD2 LEU A 19 127.443 -2.223 -2.982 1.00 0.00 C ATOM 0 H LEU A 19 131.505 -0.237 -3.682 1.00 0.00 H new ATOM 0 HA LEU A 19 130.695 -0.703 -0.972 1.00 0.00 H new ATOM 0 HB2 LEU A 19 129.477 -0.645 -3.320 1.00 0.00 H new ATOM 0 HB3 LEU A 19 130.040 -2.300 -3.437 1.00 0.00 H new ATOM 0 HG LEU A 19 128.764 -2.903 -1.433 1.00 0.00 H new ATOM 0 HD11 LEU A 19 127.267 -1.241 -0.399 1.00 0.00 H new ATOM 0 HD12 LEU A 19 128.966 -0.733 -0.254 1.00 0.00 H new ATOM 0 HD13 LEU A 19 127.912 0.025 -1.471 1.00 0.00 H new ATOM 0 HD21 LEU A 19 126.548 -2.563 -2.460 1.00 0.00 H new ATOM 0 HD22 LEU A 19 127.224 -1.296 -3.511 1.00 0.00 H new ATOM 0 HD23 LEU A 19 127.757 -2.983 -3.697 1.00 0.00 H new ATOM 299 N SER A 20 132.713 -2.827 -2.373 1.00 0.00 N ATOM 300 CA SER A 20 133.555 -3.978 -2.049 1.00 0.00 C ATOM 301 C SER A 20 134.682 -3.561 -1.116 1.00 0.00 C ATOM 302 O SER A 20 135.395 -4.391 -0.558 1.00 0.00 O ATOM 303 CB SER A 20 134.122 -4.590 -3.313 1.00 0.00 C ATOM 304 OG SER A 20 133.080 -4.937 -4.219 1.00 0.00 O ATOM 0 H SER A 20 132.909 -2.393 -3.275 1.00 0.00 H new ATOM 0 HA SER A 20 132.942 -4.725 -1.545 1.00 0.00 H new ATOM 0 HB2 SER A 20 134.804 -3.886 -3.789 1.00 0.00 H new ATOM 0 HB3 SER A 20 134.703 -5.478 -3.063 1.00 0.00 H new ATOM 0 HG SER A 20 132.758 -4.130 -4.672 1.00 0.00 H new ATOM 310 N HIS A 21 134.811 -2.281 -0.943 1.00 0.00 N ATOM 311 CA HIS A 21 135.796 -1.713 -0.085 1.00 0.00 C ATOM 312 C HIS A 21 135.190 -1.632 1.284 1.00 0.00 C ATOM 313 O HIS A 21 134.137 -1.040 1.428 1.00 0.00 O ATOM 314 CB HIS A 21 136.101 -0.301 -0.546 1.00 0.00 C ATOM 315 CG HIS A 21 137.489 -0.046 -0.990 1.00 0.00 C ATOM 316 ND1 HIS A 21 138.455 0.415 -0.142 1.00 0.00 N ATOM 317 CD2 HIS A 21 138.049 -0.065 -2.215 1.00 0.00 C ATOM 318 CE1 HIS A 21 139.533 0.693 -0.809 1.00 0.00 C ATOM 319 NE2 HIS A 21 139.320 0.404 -2.075 1.00 0.00 N ATOM 0 H HIS A 21 134.220 -1.591 -1.406 1.00 0.00 H new ATOM 0 HA HIS A 21 136.708 -2.311 -0.092 1.00 0.00 H new ATOM 0 HB2 HIS A 21 135.428 -0.055 -1.367 1.00 0.00 H new ATOM 0 HB3 HIS A 21 135.871 0.384 0.270 1.00 0.00 H new ATOM 0 HD2 HIS A 21 137.580 -0.390 -3.132 1.00 0.00 H new ATOM 0 HE1 HIS A 21 140.447 1.093 -0.396 1.00 0.00 H new ATOM 0 HE2 HIS A 21 139.997 0.514 -2.830 1.00 0.00 H new ATOM 328 N ARG A 22 135.823 -2.214 2.274 1.00 0.00 N ATOM 329 CA ARG A 22 135.304 -2.167 3.641 1.00 0.00 C ATOM 330 C ARG A 22 135.134 -0.716 4.102 1.00 0.00 C ATOM 331 O ARG A 22 134.118 -0.367 4.675 1.00 0.00 O ATOM 332 CB ARG A 22 136.208 -2.934 4.616 1.00 0.00 C ATOM 333 CG ARG A 22 135.616 -3.060 6.015 1.00 0.00 C ATOM 334 CD ARG A 22 134.314 -3.848 5.974 1.00 0.00 C ATOM 335 NE ARG A 22 133.642 -3.911 7.275 1.00 0.00 N ATOM 336 CZ ARG A 22 132.886 -4.942 7.697 1.00 0.00 C ATOM 337 NH1 ARG A 22 132.638 -5.967 6.885 1.00 0.00 N ATOM 338 NH2 ARG A 22 132.335 -4.920 8.902 1.00 0.00 N ATOM 0 H ARG A 22 136.698 -2.728 2.170 1.00 0.00 H new ATOM 0 HA ARG A 22 134.329 -2.654 3.639 1.00 0.00 H new ATOM 0 HB2 ARG A 22 136.397 -3.931 4.218 1.00 0.00 H new ATOM 0 HB3 ARG A 22 137.172 -2.429 4.681 1.00 0.00 H new ATOM 0 HG2 ARG A 22 136.328 -3.557 6.674 1.00 0.00 H new ATOM 0 HG3 ARG A 22 135.435 -2.069 6.430 1.00 0.00 H new ATOM 0 HD2 ARG A 22 133.643 -3.392 5.246 1.00 0.00 H new ATOM 0 HD3 ARG A 22 134.519 -4.861 5.628 1.00 0.00 H new ATOM 0 HE ARG A 22 133.755 -3.117 7.906 1.00 0.00 H new ATOM 0 HH11 ARG A 22 133.021 -5.973 5.940 1.00 0.00 H new ATOM 0 HH12 ARG A 22 132.065 -6.746 7.208 1.00 0.00 H new ATOM 0 HH21 ARG A 22 132.483 -4.119 9.516 1.00 0.00 H new ATOM 0 HH22 ARG A 22 131.763 -5.704 9.216 1.00 0.00 H new ATOM 352 N ASP A 23 136.110 0.128 3.776 1.00 0.00 N ATOM 353 CA ASP A 23 136.060 1.559 4.142 1.00 0.00 C ATOM 354 C ASP A 23 134.945 2.263 3.398 1.00 0.00 C ATOM 355 O ASP A 23 134.377 3.228 3.884 1.00 0.00 O ATOM 356 CB ASP A 23 137.382 2.300 3.830 1.00 0.00 C ATOM 357 CG ASP A 23 138.568 1.850 4.644 1.00 0.00 C ATOM 358 OD1 ASP A 23 138.738 2.307 5.782 1.00 0.00 O ATOM 359 OD2 ASP A 23 139.366 1.022 4.150 1.00 0.00 O ATOM 0 H ASP A 23 136.947 -0.144 3.260 1.00 0.00 H new ATOM 0 HA ASP A 23 135.886 1.587 5.218 1.00 0.00 H new ATOM 0 HB2 ASP A 23 137.614 2.169 2.773 1.00 0.00 H new ATOM 0 HB3 ASP A 23 137.231 3.367 3.994 1.00 0.00 H new ATOM 364 N GLY A 24 134.618 1.759 2.227 1.00 0.00 N ATOM 365 CA GLY A 24 133.628 2.400 1.402 1.00 0.00 C ATOM 366 C GLY A 24 132.261 1.966 1.744 1.00 0.00 C ATOM 367 O GLY A 24 131.354 2.782 1.827 1.00 0.00 O ATOM 0 H GLY A 24 135.023 0.911 1.830 1.00 0.00 H new ATOM 0 HA2 GLY A 24 133.705 3.481 1.517 1.00 0.00 H new ATOM 0 HA3 GLY A 24 133.828 2.176 0.354 1.00 0.00 H new ATOM 371 N LEU A 25 132.109 0.680 1.940 1.00 0.00 N ATOM 372 CA LEU A 25 130.885 0.110 2.426 1.00 0.00 C ATOM 373 C LEU A 25 130.514 0.773 3.729 1.00 0.00 C ATOM 374 O LEU A 25 129.361 1.080 3.966 1.00 0.00 O ATOM 375 CB LEU A 25 131.029 -1.435 2.545 1.00 0.00 C ATOM 376 CG LEU A 25 130.318 -2.151 3.712 1.00 0.00 C ATOM 377 CD1 LEU A 25 130.010 -3.585 3.320 1.00 0.00 C ATOM 378 CD2 LEU A 25 131.237 -2.172 4.945 1.00 0.00 C ATOM 0 H LEU A 25 132.843 -0.006 1.763 1.00 0.00 H new ATOM 0 HA LEU A 25 130.070 0.292 1.725 1.00 0.00 H new ATOM 0 HB2 LEU A 25 130.667 -1.875 1.616 1.00 0.00 H new ATOM 0 HB3 LEU A 25 132.092 -1.665 2.613 1.00 0.00 H new ATOM 0 HG LEU A 25 129.395 -1.618 3.942 1.00 0.00 H new ATOM 0 HD11 LEU A 25 129.508 -4.088 4.146 1.00 0.00 H new ATOM 0 HD12 LEU A 25 129.362 -3.591 2.444 1.00 0.00 H new ATOM 0 HD13 LEU A 25 130.939 -4.106 3.088 1.00 0.00 H new ATOM 0 HD21 LEU A 25 130.731 -2.678 5.767 1.00 0.00 H new ATOM 0 HD22 LEU A 25 132.158 -2.703 4.703 1.00 0.00 H new ATOM 0 HD23 LEU A 25 131.474 -1.150 5.240 1.00 0.00 H new ATOM 390 N GLU A 26 131.528 1.047 4.527 1.00 0.00 N ATOM 391 CA GLU A 26 131.371 1.711 5.778 1.00 0.00 C ATOM 392 C GLU A 26 131.028 3.192 5.557 1.00 0.00 C ATOM 393 O GLU A 26 130.136 3.707 6.203 1.00 0.00 O ATOM 394 CB GLU A 26 132.633 1.519 6.610 1.00 0.00 C ATOM 395 CG GLU A 26 132.603 2.097 8.020 1.00 0.00 C ATOM 396 CD GLU A 26 131.530 1.492 8.897 1.00 0.00 C ATOM 397 OE1 GLU A 26 131.504 0.251 9.054 1.00 0.00 O ATOM 398 OE2 GLU A 26 130.733 2.250 9.491 1.00 0.00 O ATOM 0 H GLU A 26 132.494 0.805 4.308 1.00 0.00 H new ATOM 0 HA GLU A 26 130.538 1.278 6.332 1.00 0.00 H new ATOM 0 HB2 GLU A 26 132.837 0.451 6.682 1.00 0.00 H new ATOM 0 HB3 GLU A 26 133.469 1.968 6.073 1.00 0.00 H new ATOM 0 HG2 GLU A 26 133.575 1.941 8.489 1.00 0.00 H new ATOM 0 HG3 GLU A 26 132.447 3.174 7.959 1.00 0.00 H new ATOM 405 N ALA A 27 131.675 3.851 4.585 1.00 0.00 N ATOM 406 CA ALA A 27 131.372 5.267 4.321 1.00 0.00 C ATOM 407 C ALA A 27 129.924 5.406 3.843 1.00 0.00 C ATOM 408 O ALA A 27 129.159 6.261 4.326 1.00 0.00 O ATOM 409 CB ALA A 27 132.334 5.872 3.280 1.00 0.00 C ATOM 0 H ALA A 27 132.391 3.443 3.984 1.00 0.00 H new ATOM 0 HA ALA A 27 131.505 5.818 5.252 1.00 0.00 H new ATOM 0 HB1 ALA A 27 132.078 6.918 3.112 1.00 0.00 H new ATOM 0 HB2 ALA A 27 133.358 5.804 3.648 1.00 0.00 H new ATOM 0 HB3 ALA A 27 132.248 5.323 2.342 1.00 0.00 H new ATOM 415 N PHE A 28 129.542 4.519 2.950 1.00 0.00 N ATOM 416 CA PHE A 28 128.230 4.537 2.358 1.00 0.00 C ATOM 417 C PHE A 28 127.183 4.147 3.385 1.00 0.00 C ATOM 418 O PHE A 28 126.144 4.796 3.487 1.00 0.00 O ATOM 419 CB PHE A 28 128.166 3.611 1.131 1.00 0.00 C ATOM 420 CG PHE A 28 126.883 3.722 0.352 1.00 0.00 C ATOM 421 CD1 PHE A 28 126.718 4.727 -0.582 1.00 0.00 C ATOM 422 CD2 PHE A 28 125.844 2.832 0.557 1.00 0.00 C ATOM 423 CE1 PHE A 28 125.546 4.842 -1.296 1.00 0.00 C ATOM 424 CE2 PHE A 28 124.668 2.943 -0.153 1.00 0.00 C ATOM 425 CZ PHE A 28 124.521 3.951 -1.082 1.00 0.00 C ATOM 0 H PHE A 28 130.139 3.763 2.615 1.00 0.00 H new ATOM 0 HA PHE A 28 128.020 5.552 2.020 1.00 0.00 H new ATOM 0 HB2 PHE A 28 129.002 3.840 0.470 1.00 0.00 H new ATOM 0 HB3 PHE A 28 128.293 2.579 1.459 1.00 0.00 H new ATOM 0 HD1 PHE A 28 127.518 5.431 -0.754 1.00 0.00 H new ATOM 0 HD2 PHE A 28 125.956 2.040 1.283 1.00 0.00 H new ATOM 0 HE1 PHE A 28 125.432 5.632 -2.024 1.00 0.00 H new ATOM 0 HE2 PHE A 28 123.864 2.242 0.018 1.00 0.00 H new ATOM 0 HZ PHE A 28 123.601 4.041 -1.641 1.00 0.00 H new ATOM 435 N THR A 29 127.467 3.113 4.173 1.00 0.00 N ATOM 436 CA THR A 29 126.522 2.681 5.170 1.00 0.00 C ATOM 437 C THR A 29 126.323 3.776 6.229 1.00 0.00 C ATOM 438 O THR A 29 125.225 4.010 6.633 1.00 0.00 O ATOM 439 CB THR A 29 126.858 1.279 5.820 1.00 0.00 C ATOM 440 OG1 THR A 29 125.739 0.809 6.587 1.00 0.00 O ATOM 441 CG2 THR A 29 128.058 1.357 6.748 1.00 0.00 C ATOM 0 H THR A 29 128.332 2.574 4.134 1.00 0.00 H new ATOM 0 HA THR A 29 125.578 2.520 4.649 1.00 0.00 H new ATOM 0 HB THR A 29 127.083 0.597 5.000 1.00 0.00 H new ATOM 0 HG1 THR A 29 125.660 -0.163 6.489 1.00 0.00 H new ATOM 0 HG21 THR A 29 128.254 0.373 7.173 1.00 0.00 H new ATOM 0 HG22 THR A 29 128.931 1.690 6.187 1.00 0.00 H new ATOM 0 HG23 THR A 29 127.851 2.064 7.551 1.00 0.00 H new ATOM 449 N ARG A 30 127.385 4.512 6.599 1.00 0.00 N ATOM 450 CA ARG A 30 127.251 5.595 7.594 1.00 0.00 C ATOM 451 C ARG A 30 126.342 6.700 7.086 1.00 0.00 C ATOM 452 O ARG A 30 125.617 7.348 7.854 1.00 0.00 O ATOM 453 CB ARG A 30 128.604 6.165 7.996 1.00 0.00 C ATOM 454 CG ARG A 30 129.474 5.160 8.700 1.00 0.00 C ATOM 455 CD ARG A 30 130.778 5.756 9.165 1.00 0.00 C ATOM 456 NE ARG A 30 131.589 4.765 9.866 1.00 0.00 N ATOM 457 CZ ARG A 30 132.698 5.019 10.558 1.00 0.00 C ATOM 458 NH1 ARG A 30 133.129 6.274 10.699 1.00 0.00 N ATOM 459 NH2 ARG A 30 133.359 4.009 11.129 1.00 0.00 N ATOM 0 H ARG A 30 128.329 4.383 6.234 1.00 0.00 H new ATOM 0 HA ARG A 30 126.797 5.155 8.482 1.00 0.00 H new ATOM 0 HB2 ARG A 30 129.120 6.525 7.106 1.00 0.00 H new ATOM 0 HB3 ARG A 30 128.452 7.026 8.647 1.00 0.00 H new ATOM 0 HG2 ARG A 30 128.936 4.755 9.557 1.00 0.00 H new ATOM 0 HG3 ARG A 30 129.678 4.326 8.029 1.00 0.00 H new ATOM 0 HD2 ARG A 30 131.331 6.142 8.309 1.00 0.00 H new ATOM 0 HD3 ARG A 30 130.580 6.601 9.825 1.00 0.00 H new ATOM 0 HE ARG A 30 131.279 3.794 9.822 1.00 0.00 H new ATOM 0 HH11 ARG A 30 132.609 7.043 10.276 1.00 0.00 H new ATOM 0 HH12 ARG A 30 133.979 6.465 11.230 1.00 0.00 H new ATOM 0 HH21 ARG A 30 133.013 3.054 11.033 1.00 0.00 H new ATOM 0 HH22 ARG A 30 134.210 4.192 11.661 1.00 0.00 H new ATOM 473 N PHE A 31 126.373 6.907 5.799 1.00 0.00 N ATOM 474 CA PHE A 31 125.514 7.864 5.168 1.00 0.00 C ATOM 475 C PHE A 31 124.071 7.327 5.108 1.00 0.00 C ATOM 476 O PHE A 31 123.099 8.075 5.259 1.00 0.00 O ATOM 477 CB PHE A 31 126.049 8.173 3.769 1.00 0.00 C ATOM 478 CG PHE A 31 125.184 9.089 2.986 1.00 0.00 C ATOM 479 CD1 PHE A 31 125.008 10.391 3.389 1.00 0.00 C ATOM 480 CD2 PHE A 31 124.545 8.645 1.850 1.00 0.00 C ATOM 481 CE1 PHE A 31 124.205 11.241 2.674 1.00 0.00 C ATOM 482 CE2 PHE A 31 123.744 9.492 1.132 1.00 0.00 C ATOM 483 CZ PHE A 31 123.576 10.793 1.550 1.00 0.00 C ATOM 0 H PHE A 31 126.996 6.415 5.159 1.00 0.00 H new ATOM 0 HA PHE A 31 125.499 8.786 5.749 1.00 0.00 H new ATOM 0 HB2 PHE A 31 127.042 8.614 3.859 1.00 0.00 H new ATOM 0 HB3 PHE A 31 126.164 7.239 3.220 1.00 0.00 H new ATOM 0 HD1 PHE A 31 125.507 10.748 4.278 1.00 0.00 H new ATOM 0 HD2 PHE A 31 124.676 7.624 1.524 1.00 0.00 H new ATOM 0 HE1 PHE A 31 124.071 12.262 3.000 1.00 0.00 H new ATOM 0 HE2 PHE A 31 123.246 9.141 0.241 1.00 0.00 H new ATOM 0 HZ PHE A 31 122.943 11.462 0.985 1.00 0.00 H new ATOM 493 N LEU A 32 123.958 6.042 4.930 1.00 0.00 N ATOM 494 CA LEU A 32 122.690 5.374 4.774 1.00 0.00 C ATOM 495 C LEU A 32 121.993 5.180 6.150 1.00 0.00 C ATOM 496 O LEU A 32 120.771 5.340 6.270 1.00 0.00 O ATOM 497 CB LEU A 32 122.952 4.020 4.102 1.00 0.00 C ATOM 498 CG LEU A 32 121.855 3.458 3.215 1.00 0.00 C ATOM 499 CD1 LEU A 32 121.588 4.387 2.039 1.00 0.00 C ATOM 500 CD2 LEU A 32 122.254 2.089 2.711 1.00 0.00 C ATOM 0 H LEU A 32 124.760 5.413 4.888 1.00 0.00 H new ATOM 0 HA LEU A 32 122.023 5.977 4.158 1.00 0.00 H new ATOM 0 HB2 LEU A 32 123.857 4.111 3.502 1.00 0.00 H new ATOM 0 HB3 LEU A 32 123.160 3.290 4.884 1.00 0.00 H new ATOM 0 HG LEU A 32 120.941 3.373 3.803 1.00 0.00 H new ATOM 0 HD11 LEU A 32 120.799 3.967 1.415 1.00 0.00 H new ATOM 0 HD12 LEU A 32 121.276 5.363 2.410 1.00 0.00 H new ATOM 0 HD13 LEU A 32 122.497 4.497 1.448 1.00 0.00 H new ATOM 0 HD21 LEU A 32 121.463 1.691 2.075 1.00 0.00 H new ATOM 0 HD22 LEU A 32 123.177 2.168 2.136 1.00 0.00 H new ATOM 0 HD23 LEU A 32 122.410 1.421 3.558 1.00 0.00 H new ATOM 512 N LYS A 33 122.786 4.860 7.178 1.00 0.00 N ATOM 513 CA LYS A 33 122.297 4.610 8.547 1.00 0.00 C ATOM 514 C LYS A 33 121.631 5.831 9.143 1.00 0.00 C ATOM 515 O LYS A 33 120.538 5.735 9.699 1.00 0.00 O ATOM 516 CB LYS A 33 123.428 4.149 9.486 1.00 0.00 C ATOM 517 CG LYS A 33 124.105 2.843 9.102 1.00 0.00 C ATOM 518 CD LYS A 33 125.209 2.499 10.081 1.00 0.00 C ATOM 519 CE LYS A 33 126.032 1.298 9.636 1.00 0.00 C ATOM 520 NZ LYS A 33 125.214 0.085 9.407 1.00 0.00 N ATOM 0 H LYS A 33 123.797 4.765 7.087 1.00 0.00 H new ATOM 0 HA LYS A 33 121.560 3.812 8.458 1.00 0.00 H new ATOM 0 HB2 LYS A 33 124.185 4.932 9.527 1.00 0.00 H new ATOM 0 HB3 LYS A 33 123.022 4.046 10.492 1.00 0.00 H new ATOM 0 HG2 LYS A 33 123.369 2.039 9.081 1.00 0.00 H new ATOM 0 HG3 LYS A 33 124.517 2.924 8.096 1.00 0.00 H new ATOM 0 HD2 LYS A 33 125.866 3.361 10.200 1.00 0.00 H new ATOM 0 HD3 LYS A 33 124.772 2.294 11.058 1.00 0.00 H new ATOM 0 HE2 LYS A 33 126.563 1.549 8.718 1.00 0.00 H new ATOM 0 HE3 LYS A 33 126.787 1.082 10.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 125.721 -0.749 9.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 124.306 0.179 9.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 125.039 -0.029 8.388 1.00 0.00 H new ATOM 534 N THR A 34 122.264 6.985 9.003 1.00 0.00 N ATOM 535 CA THR A 34 121.731 8.209 9.576 1.00 0.00 C ATOM 536 C THR A 34 120.320 8.532 9.046 1.00 0.00 C ATOM 537 O THR A 34 119.491 9.090 9.763 1.00 0.00 O ATOM 538 CB THR A 34 122.703 9.431 9.414 1.00 0.00 C ATOM 539 OG1 THR A 34 122.120 10.618 9.979 1.00 0.00 O ATOM 540 CG2 THR A 34 123.046 9.688 7.963 1.00 0.00 C ATOM 0 H THR A 34 123.144 7.099 8.500 1.00 0.00 H new ATOM 0 HA THR A 34 121.641 8.024 10.646 1.00 0.00 H new ATOM 0 HB THR A 34 123.621 9.182 9.947 1.00 0.00 H new ATOM 0 HG1 THR A 34 122.739 11.370 9.871 1.00 0.00 H new ATOM 0 HG21 THR A 34 123.720 10.541 7.894 1.00 0.00 H new ATOM 0 HG22 THR A 34 123.531 8.807 7.542 1.00 0.00 H new ATOM 0 HG23 THR A 34 122.134 9.901 7.406 1.00 0.00 H new ATOM 548 N GLU A 35 120.023 8.122 7.824 1.00 0.00 N ATOM 549 CA GLU A 35 118.722 8.387 7.272 1.00 0.00 C ATOM 550 C GLU A 35 117.880 7.114 7.212 1.00 0.00 C ATOM 551 O GLU A 35 116.943 7.025 6.431 1.00 0.00 O ATOM 552 CB GLU A 35 118.822 9.050 5.906 1.00 0.00 C ATOM 553 CG GLU A 35 119.466 8.228 4.815 1.00 0.00 C ATOM 554 CD GLU A 35 119.380 8.936 3.495 1.00 0.00 C ATOM 555 OE1 GLU A 35 118.253 9.061 2.941 1.00 0.00 O ATOM 556 OE2 GLU A 35 120.414 9.437 3.004 1.00 0.00 O ATOM 0 H GLU A 35 120.659 7.613 7.210 1.00 0.00 H new ATOM 0 HA GLU A 35 118.217 9.087 7.938 1.00 0.00 H new ATOM 0 HB2 GLU A 35 117.818 9.323 5.583 1.00 0.00 H new ATOM 0 HB3 GLU A 35 119.385 9.977 6.015 1.00 0.00 H new ATOM 0 HG2 GLU A 35 120.510 8.039 5.064 1.00 0.00 H new ATOM 0 HG3 GLU A 35 118.974 7.258 4.745 1.00 0.00 H new ATOM 563 N PHE A 36 118.234 6.141 8.063 1.00 0.00 N ATOM 564 CA PHE A 36 117.527 4.840 8.251 1.00 0.00 C ATOM 565 C PHE A 36 117.375 3.982 6.989 1.00 0.00 C ATOM 566 O PHE A 36 116.693 2.965 7.006 1.00 0.00 O ATOM 567 CB PHE A 36 116.185 4.951 9.065 1.00 0.00 C ATOM 568 CG PHE A 36 115.136 5.897 8.526 1.00 0.00 C ATOM 569 CD1 PHE A 36 114.336 5.538 7.454 1.00 0.00 C ATOM 570 CD2 PHE A 36 114.964 7.150 9.092 1.00 0.00 C ATOM 571 CE1 PHE A 36 113.387 6.407 6.961 1.00 0.00 C ATOM 572 CE2 PHE A 36 114.018 8.024 8.603 1.00 0.00 C ATOM 573 CZ PHE A 36 113.229 7.653 7.536 1.00 0.00 C ATOM 0 H PHE A 36 119.050 6.229 8.668 1.00 0.00 H new ATOM 0 HA PHE A 36 118.223 4.283 8.879 1.00 0.00 H new ATOM 0 HB2 PHE A 36 115.744 3.956 9.130 1.00 0.00 H new ATOM 0 HB3 PHE A 36 116.429 5.258 10.082 1.00 0.00 H new ATOM 0 HD1 PHE A 36 114.457 4.566 6.999 1.00 0.00 H new ATOM 0 HD2 PHE A 36 115.580 7.446 9.928 1.00 0.00 H new ATOM 0 HE1 PHE A 36 112.768 6.114 6.126 1.00 0.00 H new ATOM 0 HE2 PHE A 36 113.895 8.997 9.055 1.00 0.00 H new ATOM 0 HZ PHE A 36 112.487 8.336 7.149 1.00 0.00 H new ATOM 583 N SER A 37 118.095 4.321 5.942 1.00 0.00 N ATOM 584 CA SER A 37 118.022 3.577 4.699 1.00 0.00 C ATOM 585 C SER A 37 118.998 2.392 4.743 1.00 0.00 C ATOM 586 O SER A 37 119.089 1.597 3.790 1.00 0.00 O ATOM 587 CB SER A 37 118.392 4.492 3.549 1.00 0.00 C ATOM 588 OG SER A 37 117.687 5.717 3.615 1.00 0.00 O ATOM 0 H SER A 37 118.741 5.110 5.925 1.00 0.00 H new ATOM 0 HA SER A 37 117.008 3.201 4.561 1.00 0.00 H new ATOM 0 HB2 SER A 37 119.464 4.686 3.568 1.00 0.00 H new ATOM 0 HB3 SER A 37 118.174 3.996 2.603 1.00 0.00 H new ATOM 0 HG SER A 37 117.948 6.286 2.861 1.00 0.00 H new ATOM 594 N GLU A 38 119.700 2.280 5.883 1.00 0.00 N ATOM 595 CA GLU A 38 120.728 1.259 6.167 1.00 0.00 C ATOM 596 C GLU A 38 120.217 -0.173 5.948 1.00 0.00 C ATOM 597 O GLU A 38 120.993 -1.088 5.683 1.00 0.00 O ATOM 598 CB GLU A 38 121.229 1.433 7.604 1.00 0.00 C ATOM 599 CG GLU A 38 120.122 1.420 8.659 1.00 0.00 C ATOM 600 CD GLU A 38 120.643 1.594 10.070 1.00 0.00 C ATOM 601 OE1 GLU A 38 121.154 0.615 10.651 1.00 0.00 O ATOM 602 OE2 GLU A 38 120.541 2.683 10.619 1.00 0.00 O ATOM 0 H GLU A 38 119.563 2.922 6.664 1.00 0.00 H new ATOM 0 HA GLU A 38 121.547 1.407 5.463 1.00 0.00 H new ATOM 0 HB2 GLU A 38 121.939 0.637 7.828 1.00 0.00 H new ATOM 0 HB3 GLU A 38 121.773 2.375 7.676 1.00 0.00 H new ATOM 0 HG2 GLU A 38 119.411 2.216 8.440 1.00 0.00 H new ATOM 0 HG3 GLU A 38 119.577 0.478 8.593 1.00 0.00 H new ATOM 609 N GLU A 39 118.911 -0.325 6.030 1.00 0.00 N ATOM 610 CA GLU A 39 118.215 -1.584 5.821 1.00 0.00 C ATOM 611 C GLU A 39 118.562 -2.224 4.476 1.00 0.00 C ATOM 612 O GLU A 39 118.622 -3.421 4.372 1.00 0.00 O ATOM 613 CB GLU A 39 116.707 -1.339 5.930 1.00 0.00 C ATOM 614 CG GLU A 39 116.228 -0.151 5.101 1.00 0.00 C ATOM 615 CD GLU A 39 114.774 0.160 5.292 1.00 0.00 C ATOM 616 OE1 GLU A 39 114.378 0.512 6.424 1.00 0.00 O ATOM 617 OE2 GLU A 39 114.018 0.126 4.308 1.00 0.00 O ATOM 0 H GLU A 39 118.282 0.447 6.251 1.00 0.00 H new ATOM 0 HA GLU A 39 118.537 -2.287 6.589 1.00 0.00 H new ATOM 0 HB2 GLU A 39 116.176 -2.235 5.609 1.00 0.00 H new ATOM 0 HB3 GLU A 39 116.447 -1.172 6.975 1.00 0.00 H new ATOM 0 HG2 GLU A 39 116.817 0.727 5.364 1.00 0.00 H new ATOM 0 HG3 GLU A 39 116.413 -0.355 4.046 1.00 0.00 H new ATOM 624 N ASN A 40 118.836 -1.400 3.485 1.00 0.00 N ATOM 625 CA ASN A 40 119.121 -1.870 2.128 1.00 0.00 C ATOM 626 C ASN A 40 120.529 -2.479 2.020 1.00 0.00 C ATOM 627 O ASN A 40 120.724 -3.624 1.509 1.00 0.00 O ATOM 628 CB ASN A 40 118.972 -0.705 1.119 1.00 0.00 C ATOM 629 CG ASN A 40 117.549 -0.167 0.998 1.00 0.00 C ATOM 630 OD1 ASN A 40 116.747 -0.645 0.185 1.00 0.00 O ATOM 631 ND2 ASN A 40 117.241 0.851 1.766 1.00 0.00 N ATOM 0 H ASN A 40 118.869 -0.386 3.589 1.00 0.00 H new ATOM 0 HA ASN A 40 118.400 -2.652 1.891 1.00 0.00 H new ATOM 0 HB2 ASN A 40 119.633 0.108 1.419 1.00 0.00 H new ATOM 0 HB3 ASN A 40 119.307 -1.042 0.138 1.00 0.00 H new ATOM 0 HD21 ASN A 40 116.315 1.275 1.704 1.00 0.00 H new ATOM 0 HD22 ASN A 40 117.927 1.219 2.425 1.00 0.00 H new ATOM 638 N ILE A 41 121.503 -1.759 2.531 1.00 0.00 N ATOM 639 CA ILE A 41 122.877 -2.184 2.405 1.00 0.00 C ATOM 640 C ILE A 41 123.125 -3.423 3.267 1.00 0.00 C ATOM 641 O ILE A 41 123.695 -4.414 2.810 1.00 0.00 O ATOM 642 CB ILE A 41 123.879 -1.032 2.728 1.00 0.00 C ATOM 643 CG1 ILE A 41 125.271 -1.353 2.151 1.00 0.00 C ATOM 644 CG2 ILE A 41 123.927 -0.687 4.243 1.00 0.00 C ATOM 645 CD1 ILE A 41 126.281 -0.242 2.281 1.00 0.00 C ATOM 0 H ILE A 41 121.370 -0.882 3.034 1.00 0.00 H new ATOM 0 HA ILE A 41 123.056 -2.454 1.364 1.00 0.00 H new ATOM 0 HB ILE A 41 123.515 -0.129 2.238 1.00 0.00 H new ATOM 0 HG12 ILE A 41 125.661 -2.239 2.651 1.00 0.00 H new ATOM 0 HG13 ILE A 41 125.162 -1.604 1.096 1.00 0.00 H new ATOM 0 HG21 ILE A 41 124.640 0.120 4.410 1.00 0.00 H new ATOM 0 HG22 ILE A 41 122.938 -0.372 4.576 1.00 0.00 H new ATOM 0 HG23 ILE A 41 124.237 -1.567 4.807 1.00 0.00 H new ATOM 0 HD11 ILE A 41 127.229 -0.560 1.848 1.00 0.00 H new ATOM 0 HD12 ILE A 41 125.920 0.642 1.755 1.00 0.00 H new ATOM 0 HD13 ILE A 41 126.426 -0.003 3.335 1.00 0.00 H new ATOM 657 N GLU A 42 122.598 -3.396 4.476 1.00 0.00 N ATOM 658 CA GLU A 42 122.723 -4.493 5.382 1.00 0.00 C ATOM 659 C GLU A 42 121.824 -5.671 4.955 1.00 0.00 C ATOM 660 O GLU A 42 122.033 -6.818 5.393 1.00 0.00 O ATOM 661 CB GLU A 42 122.433 -4.056 6.804 1.00 0.00 C ATOM 662 CG GLU A 42 123.605 -3.433 7.608 1.00 0.00 C ATOM 663 CD GLU A 42 124.282 -2.197 7.118 1.00 0.00 C ATOM 664 OE1 GLU A 42 123.767 -1.088 7.416 1.00 0.00 O ATOM 665 OE2 GLU A 42 125.381 -2.281 6.550 1.00 0.00 O ATOM 0 H GLU A 42 122.072 -2.605 4.847 1.00 0.00 H new ATOM 0 HA GLU A 42 123.755 -4.843 5.350 1.00 0.00 H new ATOM 0 HB2 GLU A 42 121.620 -3.331 6.775 1.00 0.00 H new ATOM 0 HB3 GLU A 42 122.068 -4.922 7.356 1.00 0.00 H new ATOM 0 HG2 GLU A 42 123.232 -3.221 8.610 1.00 0.00 H new ATOM 0 HG3 GLU A 42 124.371 -4.202 7.709 1.00 0.00 H new ATOM 672 N PHE A 43 120.826 -5.383 4.104 1.00 0.00 N ATOM 673 CA PHE A 43 119.974 -6.405 3.493 1.00 0.00 C ATOM 674 C PHE A 43 120.822 -7.374 2.723 1.00 0.00 C ATOM 675 O PHE A 43 120.831 -8.578 3.010 1.00 0.00 O ATOM 676 CB PHE A 43 118.929 -5.760 2.558 1.00 0.00 C ATOM 677 CG PHE A 43 118.276 -6.684 1.565 1.00 0.00 C ATOM 678 CD1 PHE A 43 117.193 -7.438 1.910 1.00 0.00 C ATOM 679 CD2 PHE A 43 118.767 -6.776 0.267 1.00 0.00 C ATOM 680 CE1 PHE A 43 116.598 -8.270 0.990 1.00 0.00 C ATOM 681 CE2 PHE A 43 118.181 -7.605 -0.652 1.00 0.00 C ATOM 682 CZ PHE A 43 117.095 -8.350 -0.293 1.00 0.00 C ATOM 0 H PHE A 43 120.590 -4.431 3.822 1.00 0.00 H new ATOM 0 HA PHE A 43 119.444 -6.935 4.284 1.00 0.00 H new ATOM 0 HB2 PHE A 43 118.150 -5.309 3.172 1.00 0.00 H new ATOM 0 HB3 PHE A 43 119.411 -4.951 2.010 1.00 0.00 H new ATOM 0 HD1 PHE A 43 116.799 -7.381 2.914 1.00 0.00 H new ATOM 0 HD2 PHE A 43 119.624 -6.185 -0.021 1.00 0.00 H new ATOM 0 HE1 PHE A 43 115.740 -8.861 1.274 1.00 0.00 H new ATOM 0 HE2 PHE A 43 118.576 -7.669 -1.655 1.00 0.00 H new ATOM 0 HZ PHE A 43 116.625 -9.002 -1.014 1.00 0.00 H new ATOM 692 N TRP A 44 121.577 -6.880 1.755 1.00 0.00 N ATOM 693 CA TRP A 44 122.387 -7.827 1.025 1.00 0.00 C ATOM 694 C TRP A 44 123.636 -8.247 1.765 1.00 0.00 C ATOM 695 O TRP A 44 124.302 -9.195 1.377 1.00 0.00 O ATOM 696 CB TRP A 44 122.599 -7.537 -0.464 1.00 0.00 C ATOM 697 CG TRP A 44 123.099 -6.193 -0.816 1.00 0.00 C ATOM 698 CD1 TRP A 44 122.465 -5.294 -1.605 1.00 0.00 C ATOM 699 CD2 TRP A 44 124.326 -5.586 -0.413 1.00 0.00 C ATOM 700 NE1 TRP A 44 123.220 -4.178 -1.738 1.00 0.00 N ATOM 701 CE2 TRP A 44 124.365 -4.327 -0.993 1.00 0.00 C ATOM 702 CE3 TRP A 44 125.396 -5.989 0.392 1.00 0.00 C ATOM 703 CZ2 TRP A 44 125.420 -3.470 -0.798 1.00 0.00 C ATOM 704 CZ3 TRP A 44 126.443 -5.137 0.583 1.00 0.00 C ATOM 705 CH2 TRP A 44 126.451 -3.891 -0.005 1.00 0.00 C ATOM 0 H TRP A 44 121.644 -5.902 1.474 1.00 0.00 H new ATOM 0 HA TRP A 44 121.755 -8.714 0.989 1.00 0.00 H new ATOM 0 HB2 TRP A 44 123.299 -8.274 -0.857 1.00 0.00 H new ATOM 0 HB3 TRP A 44 121.651 -7.692 -0.979 1.00 0.00 H new ATOM 0 HD1 TRP A 44 121.498 -5.445 -2.062 1.00 0.00 H new ATOM 0 HE1 TRP A 44 122.979 -3.361 -2.299 1.00 0.00 H new ATOM 0 HE3 TRP A 44 125.393 -6.964 0.857 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 125.435 -2.493 -1.257 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 127.274 -5.442 1.201 1.00 0.00 H new ATOM 0 HH2 TRP A 44 127.290 -3.232 0.164 1.00 0.00 H new ATOM 716 N ILE A 45 123.951 -7.546 2.841 1.00 0.00 N ATOM 717 CA ILE A 45 124.997 -7.988 3.737 1.00 0.00 C ATOM 718 C ILE A 45 124.544 -9.275 4.415 1.00 0.00 C ATOM 719 O ILE A 45 125.340 -10.186 4.643 1.00 0.00 O ATOM 720 CB ILE A 45 125.396 -6.894 4.768 1.00 0.00 C ATOM 721 CG1 ILE A 45 126.244 -5.820 4.071 1.00 0.00 C ATOM 722 CG2 ILE A 45 126.115 -7.477 5.983 1.00 0.00 C ATOM 723 CD1 ILE A 45 126.698 -4.693 4.964 1.00 0.00 C ATOM 0 H ILE A 45 123.498 -6.673 3.111 1.00 0.00 H new ATOM 0 HA ILE A 45 125.901 -8.182 3.159 1.00 0.00 H new ATOM 0 HB ILE A 45 124.484 -6.435 5.150 1.00 0.00 H new ATOM 0 HG12 ILE A 45 127.123 -6.297 3.636 1.00 0.00 H new ATOM 0 HG13 ILE A 45 125.668 -5.401 3.246 1.00 0.00 H new ATOM 0 HG21 ILE A 45 126.373 -6.674 6.673 1.00 0.00 H new ATOM 0 HG22 ILE A 45 125.462 -8.191 6.485 1.00 0.00 H new ATOM 0 HG23 ILE A 45 127.025 -7.983 5.659 1.00 0.00 H new ATOM 0 HD11 ILE A 45 127.290 -3.985 4.384 1.00 0.00 H new ATOM 0 HD12 ILE A 45 125.828 -4.185 5.379 1.00 0.00 H new ATOM 0 HD13 ILE A 45 127.305 -5.094 5.776 1.00 0.00 H new ATOM 735 N ALA A 46 123.247 -9.364 4.675 1.00 0.00 N ATOM 736 CA ALA A 46 122.662 -10.569 5.211 1.00 0.00 C ATOM 737 C ALA A 46 122.717 -11.660 4.150 1.00 0.00 C ATOM 738 O ALA A 46 122.934 -12.820 4.469 1.00 0.00 O ATOM 739 CB ALA A 46 121.222 -10.337 5.650 1.00 0.00 C ATOM 0 H ALA A 46 122.582 -8.606 4.520 1.00 0.00 H new ATOM 0 HA ALA A 46 123.230 -10.874 6.090 1.00 0.00 H new ATOM 0 HB1 ALA A 46 120.810 -11.264 6.049 1.00 0.00 H new ATOM 0 HB2 ALA A 46 121.196 -9.567 6.421 1.00 0.00 H new ATOM 0 HB3 ALA A 46 120.628 -10.014 4.795 1.00 0.00 H new ATOM 745 N CYS A 47 122.535 -11.267 2.890 1.00 0.00 N ATOM 746 CA CYS A 47 122.603 -12.196 1.757 1.00 0.00 C ATOM 747 C CYS A 47 124.030 -12.714 1.555 1.00 0.00 C ATOM 748 O CYS A 47 124.241 -13.901 1.316 1.00 0.00 O ATOM 749 CB CYS A 47 122.091 -11.540 0.465 1.00 0.00 C ATOM 750 SG CYS A 47 122.135 -12.616 -0.994 1.00 0.00 S ATOM 0 H CYS A 47 122.337 -10.302 2.624 1.00 0.00 H new ATOM 0 HA CYS A 47 121.956 -13.042 1.991 1.00 0.00 H new ATOM 0 HB2 CYS A 47 121.066 -11.206 0.624 1.00 0.00 H new ATOM 0 HB3 CYS A 47 122.688 -10.651 0.263 1.00 0.00 H new ATOM 0 HG CYS A 47 121.681 -11.967 -2.025 1.00 0.00 H new ATOM 756 N GLU A 48 125.012 -11.841 1.664 1.00 0.00 N ATOM 757 CA GLU A 48 126.377 -12.278 1.518 1.00 0.00 C ATOM 758 C GLU A 48 126.814 -13.084 2.748 1.00 0.00 C ATOM 759 O GLU A 48 127.585 -14.026 2.642 1.00 0.00 O ATOM 760 CB GLU A 48 127.327 -11.117 1.116 1.00 0.00 C ATOM 761 CG GLU A 48 127.449 -9.964 2.102 1.00 0.00 C ATOM 762 CD GLU A 48 128.717 -10.024 2.922 1.00 0.00 C ATOM 763 OE1 GLU A 48 128.943 -11.023 3.637 1.00 0.00 O ATOM 764 OE2 GLU A 48 129.513 -9.076 2.873 1.00 0.00 O ATOM 0 H GLU A 48 124.890 -10.845 1.849 1.00 0.00 H new ATOM 0 HA GLU A 48 126.444 -12.966 0.675 1.00 0.00 H new ATOM 0 HB2 GLU A 48 128.322 -11.532 0.952 1.00 0.00 H new ATOM 0 HB3 GLU A 48 126.988 -10.715 0.161 1.00 0.00 H new ATOM 0 HG2 GLU A 48 127.419 -9.021 1.556 1.00 0.00 H new ATOM 0 HG3 GLU A 48 126.589 -9.972 2.771 1.00 0.00 H new ATOM 771 N ASP A 49 126.257 -12.749 3.900 1.00 0.00 N ATOM 772 CA ASP A 49 126.454 -13.532 5.133 1.00 0.00 C ATOM 773 C ASP A 49 125.850 -14.915 4.940 1.00 0.00 C ATOM 774 O ASP A 49 126.321 -15.921 5.476 1.00 0.00 O ATOM 775 CB ASP A 49 125.747 -12.836 6.299 1.00 0.00 C ATOM 776 CG ASP A 49 125.790 -13.612 7.594 1.00 0.00 C ATOM 777 OD1 ASP A 49 124.918 -14.484 7.812 1.00 0.00 O ATOM 778 OD2 ASP A 49 126.660 -13.333 8.445 1.00 0.00 O ATOM 0 H ASP A 49 125.657 -11.933 4.019 1.00 0.00 H new ATOM 0 HA ASP A 49 127.519 -13.614 5.350 1.00 0.00 H new ATOM 0 HB2 ASP A 49 126.204 -11.859 6.457 1.00 0.00 H new ATOM 0 HB3 ASP A 49 124.706 -12.660 6.027 1.00 0.00 H new ATOM 783 N PHE A 50 124.822 -14.936 4.152 1.00 0.00 N ATOM 784 CA PHE A 50 124.081 -16.113 3.829 1.00 0.00 C ATOM 785 C PHE A 50 124.874 -17.017 2.881 1.00 0.00 C ATOM 786 O PHE A 50 124.933 -18.220 3.095 1.00 0.00 O ATOM 787 CB PHE A 50 122.722 -15.689 3.267 1.00 0.00 C ATOM 788 CG PHE A 50 121.821 -16.771 2.832 1.00 0.00 C ATOM 789 CD1 PHE A 50 121.004 -17.398 3.735 1.00 0.00 C ATOM 790 CD2 PHE A 50 121.773 -17.146 1.506 1.00 0.00 C ATOM 791 CE1 PHE A 50 120.158 -18.390 3.327 1.00 0.00 C ATOM 792 CE2 PHE A 50 120.928 -18.130 1.094 1.00 0.00 C ATOM 793 CZ PHE A 50 120.119 -18.754 2.002 1.00 0.00 C ATOM 0 H PHE A 50 124.461 -14.097 3.697 1.00 0.00 H new ATOM 0 HA PHE A 50 123.906 -16.713 4.722 1.00 0.00 H new ATOM 0 HB2 PHE A 50 122.207 -15.102 4.027 1.00 0.00 H new ATOM 0 HB3 PHE A 50 122.896 -15.028 2.418 1.00 0.00 H new ATOM 0 HD1 PHE A 50 121.029 -17.107 4.775 1.00 0.00 H new ATOM 0 HD2 PHE A 50 122.412 -16.654 0.788 1.00 0.00 H new ATOM 0 HE1 PHE A 50 119.521 -18.887 4.044 1.00 0.00 H new ATOM 0 HE2 PHE A 50 120.897 -18.417 0.053 1.00 0.00 H new ATOM 0 HZ PHE A 50 119.447 -19.535 1.678 1.00 0.00 H new ATOM 803 N LYS A 51 125.522 -16.431 1.864 1.00 0.00 N ATOM 804 CA LYS A 51 126.369 -17.222 0.953 1.00 0.00 C ATOM 805 C LYS A 51 127.617 -17.735 1.692 1.00 0.00 C ATOM 806 O LYS A 51 128.327 -18.615 1.204 1.00 0.00 O ATOM 807 CB LYS A 51 126.777 -16.442 -0.331 1.00 0.00 C ATOM 808 CG LYS A 51 127.639 -15.214 -0.077 1.00 0.00 C ATOM 809 CD LYS A 51 128.133 -14.529 -1.350 1.00 0.00 C ATOM 810 CE LYS A 51 129.072 -15.425 -2.147 1.00 0.00 C ATOM 811 NZ LYS A 51 129.710 -14.707 -3.274 1.00 0.00 N ATOM 0 H LYS A 51 125.480 -15.434 1.652 1.00 0.00 H new ATOM 0 HA LYS A 51 125.768 -18.070 0.624 1.00 0.00 H new ATOM 0 HB2 LYS A 51 127.316 -17.118 -0.995 1.00 0.00 H new ATOM 0 HB3 LYS A 51 125.873 -16.133 -0.856 1.00 0.00 H new ATOM 0 HG2 LYS A 51 127.067 -14.496 0.511 1.00 0.00 H new ATOM 0 HG3 LYS A 51 128.500 -15.505 0.525 1.00 0.00 H new ATOM 0 HD2 LYS A 51 127.279 -14.255 -1.970 1.00 0.00 H new ATOM 0 HD3 LYS A 51 128.648 -13.604 -1.089 1.00 0.00 H new ATOM 0 HE2 LYS A 51 129.844 -15.818 -1.486 1.00 0.00 H new ATOM 0 HE3 LYS A 51 128.516 -16.280 -2.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 130.340 -15.356 -3.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 128.976 -14.353 -3.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 130.263 -13.906 -2.907 1.00 0.00 H new ATOM 825 N LYS A 52 127.896 -17.145 2.857 1.00 0.00 N ATOM 826 CA LYS A 52 128.987 -17.593 3.731 1.00 0.00 C ATOM 827 C LYS A 52 128.606 -18.853 4.508 1.00 0.00 C ATOM 828 O LYS A 52 129.467 -19.520 5.084 1.00 0.00 O ATOM 829 CB LYS A 52 129.401 -16.480 4.693 1.00 0.00 C ATOM 830 CG LYS A 52 129.918 -15.276 3.964 1.00 0.00 C ATOM 831 CD LYS A 52 130.187 -14.081 4.863 1.00 0.00 C ATOM 832 CE LYS A 52 131.307 -14.304 5.849 1.00 0.00 C ATOM 833 NZ LYS A 52 131.602 -13.053 6.572 1.00 0.00 N ATOM 0 H LYS A 52 127.376 -16.347 3.221 1.00 0.00 H new ATOM 0 HA LYS A 52 129.836 -17.839 3.093 1.00 0.00 H new ATOM 0 HB2 LYS A 52 128.547 -16.194 5.307 1.00 0.00 H new ATOM 0 HB3 LYS A 52 130.170 -16.852 5.370 1.00 0.00 H new ATOM 0 HG2 LYS A 52 130.839 -15.544 3.447 1.00 0.00 H new ATOM 0 HG3 LYS A 52 129.196 -14.988 3.200 1.00 0.00 H new ATOM 0 HD2 LYS A 52 130.427 -13.218 4.243 1.00 0.00 H new ATOM 0 HD3 LYS A 52 129.276 -13.837 5.410 1.00 0.00 H new ATOM 0 HE2 LYS A 52 131.029 -15.085 6.557 1.00 0.00 H new ATOM 0 HE3 LYS A 52 132.199 -14.650 5.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 132.375 -13.217 7.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 131.886 -12.318 5.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 130.753 -12.740 7.085 1.00 0.00 H new ATOM 847 N SER A 53 127.333 -19.157 4.542 1.00 0.00 N ATOM 848 CA SER A 53 126.861 -20.350 5.159 1.00 0.00 C ATOM 849 C SER A 53 126.853 -21.456 4.120 1.00 0.00 C ATOM 850 O SER A 53 126.265 -21.315 3.061 1.00 0.00 O ATOM 851 CB SER A 53 125.455 -20.118 5.711 1.00 0.00 C ATOM 852 OG SER A 53 125.461 -19.056 6.656 1.00 0.00 O ATOM 0 H SER A 53 126.599 -18.575 4.138 1.00 0.00 H new ATOM 0 HA SER A 53 127.510 -20.635 5.987 1.00 0.00 H new ATOM 0 HB2 SER A 53 124.772 -19.883 4.895 1.00 0.00 H new ATOM 0 HB3 SER A 53 125.088 -21.030 6.182 1.00 0.00 H new ATOM 0 HG SER A 53 125.151 -19.389 7.524 1.00 0.00 H new ATOM 858 N LYS A 54 127.532 -22.524 4.392 1.00 0.00 N ATOM 859 CA LYS A 54 127.565 -23.631 3.466 1.00 0.00 C ATOM 860 C LYS A 54 126.744 -24.795 3.981 1.00 0.00 C ATOM 861 O LYS A 54 126.832 -25.916 3.482 1.00 0.00 O ATOM 862 CB LYS A 54 129.021 -24.011 3.086 1.00 0.00 C ATOM 863 CG LYS A 54 130.012 -24.243 4.233 1.00 0.00 C ATOM 864 CD LYS A 54 129.722 -25.504 5.028 1.00 0.00 C ATOM 865 CE LYS A 54 130.795 -25.753 6.063 1.00 0.00 C ATOM 866 NZ LYS A 54 132.127 -25.882 5.438 1.00 0.00 N ATOM 0 H LYS A 54 128.074 -22.662 5.245 1.00 0.00 H new ATOM 0 HA LYS A 54 127.093 -23.319 2.534 1.00 0.00 H new ATOM 0 HB2 LYS A 54 128.986 -24.918 2.483 1.00 0.00 H new ATOM 0 HB3 LYS A 54 129.420 -23.221 2.450 1.00 0.00 H new ATOM 0 HG2 LYS A 54 131.021 -24.302 3.826 1.00 0.00 H new ATOM 0 HG3 LYS A 54 129.988 -23.385 4.904 1.00 0.00 H new ATOM 0 HD2 LYS A 54 128.753 -25.414 5.519 1.00 0.00 H new ATOM 0 HD3 LYS A 54 129.659 -26.357 4.353 1.00 0.00 H new ATOM 0 HE2 LYS A 54 130.806 -24.934 6.782 1.00 0.00 H new ATOM 0 HE3 LYS A 54 130.563 -26.661 6.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 132.766 -26.389 6.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 132.043 -26.412 4.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 132.512 -24.936 5.243 1.00 0.00 H new ATOM 880 N GLY A 55 125.913 -24.502 4.948 1.00 0.00 N ATOM 881 CA GLY A 55 125.070 -25.496 5.525 1.00 0.00 C ATOM 882 C GLY A 55 123.674 -25.355 4.989 1.00 0.00 C ATOM 883 O GLY A 55 123.004 -24.363 5.286 1.00 0.00 O ATOM 0 H GLY A 55 125.808 -23.571 5.350 1.00 0.00 H new ATOM 0 HA2 GLY A 55 125.457 -26.490 5.299 1.00 0.00 H new ATOM 0 HA3 GLY A 55 125.064 -25.395 6.610 1.00 0.00 H new ATOM 887 N PRO A 56 123.203 -26.324 4.192 1.00 0.00 N ATOM 888 CA PRO A 56 121.895 -26.258 3.539 1.00 0.00 C ATOM 889 C PRO A 56 120.706 -26.204 4.512 1.00 0.00 C ATOM 890 O PRO A 56 119.659 -25.654 4.172 1.00 0.00 O ATOM 891 CB PRO A 56 121.846 -27.497 2.641 1.00 0.00 C ATOM 892 CG PRO A 56 123.264 -27.959 2.549 1.00 0.00 C ATOM 893 CD PRO A 56 123.914 -27.562 3.839 1.00 0.00 C ATOM 0 HA PRO A 56 121.795 -25.328 2.980 1.00 0.00 H new ATOM 0 HB2 PRO A 56 121.205 -28.269 3.067 1.00 0.00 H new ATOM 0 HB3 PRO A 56 121.444 -27.256 1.657 1.00 0.00 H new ATOM 0 HG2 PRO A 56 123.314 -29.038 2.403 1.00 0.00 H new ATOM 0 HG3 PRO A 56 123.770 -27.499 1.700 1.00 0.00 H new ATOM 0 HD2 PRO A 56 123.796 -28.329 4.605 1.00 0.00 H new ATOM 0 HD3 PRO A 56 124.984 -27.394 3.718 1.00 0.00 H new ATOM 901 N GLN A 57 120.872 -26.725 5.728 1.00 0.00 N ATOM 902 CA GLN A 57 119.801 -26.645 6.727 1.00 0.00 C ATOM 903 C GLN A 57 119.635 -25.205 7.160 1.00 0.00 C ATOM 904 O GLN A 57 118.511 -24.692 7.255 1.00 0.00 O ATOM 905 CB GLN A 57 120.061 -27.527 7.953 1.00 0.00 C ATOM 906 CG GLN A 57 120.169 -29.013 7.664 1.00 0.00 C ATOM 907 CD GLN A 57 118.950 -29.573 6.952 1.00 0.00 C ATOM 908 OE1 GLN A 57 117.979 -29.993 7.587 1.00 0.00 O ATOM 909 NE2 GLN A 57 119.013 -29.647 5.652 1.00 0.00 N ATOM 0 H GLN A 57 121.719 -27.198 6.043 1.00 0.00 H new ATOM 0 HA GLN A 57 118.889 -27.016 6.259 1.00 0.00 H new ATOM 0 HB2 GLN A 57 120.984 -27.197 8.430 1.00 0.00 H new ATOM 0 HB3 GLN A 57 119.257 -27.370 8.672 1.00 0.00 H new ATOM 0 HG2 GLN A 57 121.054 -29.195 7.054 1.00 0.00 H new ATOM 0 HG3 GLN A 57 120.313 -29.550 8.602 1.00 0.00 H new ATOM 0 HE21 GLN A 57 119.832 -29.289 5.160 1.00 0.00 H new ATOM 0 HE22 GLN A 57 118.244 -30.063 5.127 1.00 0.00 H new ATOM 918 N GLN A 58 120.773 -24.535 7.370 1.00 0.00 N ATOM 919 CA GLN A 58 120.783 -23.120 7.722 1.00 0.00 C ATOM 920 C GLN A 58 120.162 -22.308 6.646 1.00 0.00 C ATOM 921 O GLN A 58 119.510 -21.333 6.926 1.00 0.00 O ATOM 922 CB GLN A 58 122.186 -22.581 7.956 1.00 0.00 C ATOM 923 CG GLN A 58 122.834 -23.032 9.222 1.00 0.00 C ATOM 924 CD GLN A 58 122.038 -22.654 10.457 1.00 0.00 C ATOM 925 OE1 GLN A 58 121.351 -21.632 10.482 1.00 0.00 O ATOM 926 NE2 GLN A 58 122.109 -23.468 11.471 1.00 0.00 N ATOM 0 H GLN A 58 121.700 -24.956 7.301 1.00 0.00 H new ATOM 0 HA GLN A 58 120.216 -23.041 8.649 1.00 0.00 H new ATOM 0 HB2 GLN A 58 122.817 -22.877 7.118 1.00 0.00 H new ATOM 0 HB3 GLN A 58 122.145 -21.492 7.955 1.00 0.00 H new ATOM 0 HG2 GLN A 58 122.961 -24.114 9.194 1.00 0.00 H new ATOM 0 HG3 GLN A 58 123.831 -22.596 9.290 1.00 0.00 H new ATOM 0 HE21 GLN A 58 122.689 -24.305 11.413 1.00 0.00 H new ATOM 0 HE22 GLN A 58 121.585 -23.268 12.323 1.00 0.00 H new ATOM 935 N ILE A 59 120.370 -22.726 5.412 1.00 0.00 N ATOM 936 CA ILE A 59 119.845 -22.030 4.258 1.00 0.00 C ATOM 937 C ILE A 59 118.342 -21.840 4.389 1.00 0.00 C ATOM 938 O ILE A 59 117.854 -20.749 4.202 1.00 0.00 O ATOM 939 CB ILE A 59 120.174 -22.758 2.931 1.00 0.00 C ATOM 940 CG1 ILE A 59 121.692 -22.981 2.783 1.00 0.00 C ATOM 941 CG2 ILE A 59 119.612 -22.003 1.746 1.00 0.00 C ATOM 942 CD1 ILE A 59 122.554 -21.750 2.919 1.00 0.00 C ATOM 0 H ILE A 59 120.910 -23.561 5.183 1.00 0.00 H new ATOM 0 HA ILE A 59 120.332 -21.055 4.226 1.00 0.00 H new ATOM 0 HB ILE A 59 119.697 -23.738 2.958 1.00 0.00 H new ATOM 0 HG12 ILE A 59 122.008 -23.707 3.532 1.00 0.00 H new ATOM 0 HG13 ILE A 59 121.881 -23.427 1.807 1.00 0.00 H new ATOM 0 HG21 ILE A 59 119.857 -22.535 0.827 1.00 0.00 H new ATOM 0 HG22 ILE A 59 118.529 -21.926 1.844 1.00 0.00 H new ATOM 0 HG23 ILE A 59 120.045 -21.003 1.713 1.00 0.00 H new ATOM 0 HD11 ILE A 59 123.602 -22.024 2.797 1.00 0.00 H new ATOM 0 HD12 ILE A 59 122.277 -21.026 2.153 1.00 0.00 H new ATOM 0 HD13 ILE A 59 122.406 -21.310 3.905 1.00 0.00 H new ATOM 954 N HIS A 60 117.633 -22.902 4.774 1.00 0.00 N ATOM 955 CA HIS A 60 116.167 -22.827 4.983 1.00 0.00 C ATOM 956 C HIS A 60 115.840 -21.750 6.006 1.00 0.00 C ATOM 957 O HIS A 60 115.093 -20.824 5.730 1.00 0.00 O ATOM 958 CB HIS A 60 115.577 -24.152 5.508 1.00 0.00 C ATOM 959 CG HIS A 60 115.675 -25.335 4.601 1.00 0.00 C ATOM 960 ND1 HIS A 60 114.594 -25.875 3.949 1.00 0.00 N ATOM 961 CD2 HIS A 60 116.716 -26.125 4.298 1.00 0.00 C ATOM 962 CE1 HIS A 60 114.975 -26.942 3.288 1.00 0.00 C ATOM 963 NE2 HIS A 60 116.258 -27.113 3.487 1.00 0.00 N ATOM 0 H HIS A 60 118.036 -23.822 4.949 1.00 0.00 H new ATOM 0 HA HIS A 60 115.730 -22.602 4.010 1.00 0.00 H new ATOM 0 HB2 HIS A 60 116.076 -24.399 6.445 1.00 0.00 H new ATOM 0 HB3 HIS A 60 114.525 -23.988 5.741 1.00 0.00 H new ATOM 0 HD2 HIS A 60 117.733 -25.998 4.637 1.00 0.00 H new ATOM 0 HE1 HIS A 60 114.339 -27.572 2.683 1.00 0.00 H new ATOM 0 HE2 HIS A 60 116.822 -27.867 3.096 1.00 0.00 H new ATOM 972 N LEU A 61 116.471 -21.875 7.155 1.00 0.00 N ATOM 973 CA LEU A 61 116.249 -21.019 8.312 1.00 0.00 C ATOM 974 C LEU A 61 116.610 -19.580 8.013 1.00 0.00 C ATOM 975 O LEU A 61 115.766 -18.680 8.088 1.00 0.00 O ATOM 976 CB LEU A 61 117.152 -21.489 9.426 1.00 0.00 C ATOM 977 CG LEU A 61 117.094 -22.957 9.754 1.00 0.00 C ATOM 978 CD1 LEU A 61 118.223 -23.284 10.682 1.00 0.00 C ATOM 979 CD2 LEU A 61 115.760 -23.308 10.377 1.00 0.00 C ATOM 0 H LEU A 61 117.174 -22.595 7.319 1.00 0.00 H new ATOM 0 HA LEU A 61 115.195 -21.074 8.583 1.00 0.00 H new ATOM 0 HB2 LEU A 61 118.179 -21.237 9.164 1.00 0.00 H new ATOM 0 HB3 LEU A 61 116.906 -20.927 10.327 1.00 0.00 H new ATOM 0 HG LEU A 61 117.194 -23.546 8.842 1.00 0.00 H new ATOM 0 HD11 LEU A 61 118.195 -24.345 10.929 1.00 0.00 H new ATOM 0 HD12 LEU A 61 119.171 -23.049 10.198 1.00 0.00 H new ATOM 0 HD13 LEU A 61 118.126 -22.696 11.595 1.00 0.00 H new ATOM 0 HD21 LEU A 61 115.735 -24.373 10.608 1.00 0.00 H new ATOM 0 HD22 LEU A 61 115.625 -22.735 11.294 1.00 0.00 H new ATOM 0 HD23 LEU A 61 114.958 -23.069 9.678 1.00 0.00 H new ATOM 991 N LYS A 62 117.869 -19.386 7.689 1.00 0.00 N ATOM 992 CA LYS A 62 118.435 -18.079 7.420 1.00 0.00 C ATOM 993 C LYS A 62 117.711 -17.357 6.281 1.00 0.00 C ATOM 994 O LYS A 62 117.398 -16.176 6.408 1.00 0.00 O ATOM 995 CB LYS A 62 119.958 -18.166 7.159 1.00 0.00 C ATOM 996 CG LYS A 62 120.772 -18.733 8.339 1.00 0.00 C ATOM 997 CD LYS A 62 122.279 -18.620 8.123 1.00 0.00 C ATOM 998 CE LYS A 62 122.739 -17.170 8.031 1.00 0.00 C ATOM 999 NZ LYS A 62 124.216 -17.068 7.985 1.00 0.00 N ATOM 0 H LYS A 62 118.543 -20.147 7.603 1.00 0.00 H new ATOM 0 HA LYS A 62 118.286 -17.479 8.318 1.00 0.00 H new ATOM 0 HB2 LYS A 62 120.129 -18.790 6.282 1.00 0.00 H new ATOM 0 HB3 LYS A 62 120.331 -17.170 6.920 1.00 0.00 H new ATOM 0 HG2 LYS A 62 120.499 -18.203 9.251 1.00 0.00 H new ATOM 0 HG3 LYS A 62 120.508 -19.780 8.488 1.00 0.00 H new ATOM 0 HD2 LYS A 62 122.800 -19.114 8.943 1.00 0.00 H new ATOM 0 HD3 LYS A 62 122.554 -19.146 7.209 1.00 0.00 H new ATOM 0 HE2 LYS A 62 122.314 -16.709 7.139 1.00 0.00 H new ATOM 0 HE3 LYS A 62 122.362 -16.613 8.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 124.490 -16.081 7.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 124.614 -17.376 8.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 124.582 -17.675 7.224 1.00 0.00 H new ATOM 1013 N ALA A 63 117.407 -18.067 5.193 1.00 0.00 N ATOM 1014 CA ALA A 63 116.712 -17.450 4.065 1.00 0.00 C ATOM 1015 C ALA A 63 115.319 -17.039 4.467 1.00 0.00 C ATOM 1016 O ALA A 63 114.906 -15.919 4.213 1.00 0.00 O ATOM 1017 CB ALA A 63 116.650 -18.372 2.855 1.00 0.00 C ATOM 0 H ALA A 63 117.628 -19.055 5.070 1.00 0.00 H new ATOM 0 HA ALA A 63 117.284 -16.567 3.780 1.00 0.00 H new ATOM 0 HB1 ALA A 63 116.125 -17.871 2.042 1.00 0.00 H new ATOM 0 HB2 ALA A 63 117.662 -18.620 2.535 1.00 0.00 H new ATOM 0 HB3 ALA A 63 116.119 -19.286 3.121 1.00 0.00 H new ATOM 1023 N LYS A 64 114.617 -17.946 5.129 1.00 0.00 N ATOM 1024 CA LYS A 64 113.241 -17.714 5.586 1.00 0.00 C ATOM 1025 C LYS A 64 113.198 -16.483 6.509 1.00 0.00 C ATOM 1026 O LYS A 64 112.276 -15.666 6.435 1.00 0.00 O ATOM 1027 CB LYS A 64 112.749 -18.952 6.343 1.00 0.00 C ATOM 1028 CG LYS A 64 111.241 -19.153 6.413 1.00 0.00 C ATOM 1029 CD LYS A 64 110.651 -19.349 5.020 1.00 0.00 C ATOM 1030 CE LYS A 64 109.301 -20.065 5.058 1.00 0.00 C ATOM 1031 NZ LYS A 64 108.280 -19.369 5.864 1.00 0.00 N ATOM 0 H LYS A 64 114.980 -18.869 5.369 1.00 0.00 H new ATOM 0 HA LYS A 64 112.595 -17.532 4.727 1.00 0.00 H new ATOM 0 HB2 LYS A 64 113.189 -19.834 5.877 1.00 0.00 H new ATOM 0 HB3 LYS A 64 113.134 -18.904 7.362 1.00 0.00 H new ATOM 0 HG2 LYS A 64 111.014 -20.020 7.033 1.00 0.00 H new ATOM 0 HG3 LYS A 64 110.777 -18.290 6.890 1.00 0.00 H new ATOM 0 HD2 LYS A 64 110.532 -18.378 4.538 1.00 0.00 H new ATOM 0 HD3 LYS A 64 111.348 -19.924 4.410 1.00 0.00 H new ATOM 0 HE2 LYS A 64 108.931 -20.178 4.039 1.00 0.00 H new ATOM 0 HE3 LYS A 64 109.444 -21.069 5.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 107.383 -19.893 5.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 108.597 -19.314 6.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 108.139 -18.408 5.492 1.00 0.00 H new ATOM 1045 N ALA A 65 114.230 -16.347 7.333 1.00 0.00 N ATOM 1046 CA ALA A 65 114.354 -15.241 8.265 1.00 0.00 C ATOM 1047 C ALA A 65 114.544 -13.916 7.528 1.00 0.00 C ATOM 1048 O ALA A 65 113.859 -12.930 7.819 1.00 0.00 O ATOM 1049 CB ALA A 65 115.510 -15.485 9.217 1.00 0.00 C ATOM 0 H ALA A 65 115.007 -17.007 7.371 1.00 0.00 H new ATOM 0 HA ALA A 65 113.429 -15.177 8.839 1.00 0.00 H new ATOM 0 HB1 ALA A 65 115.593 -14.649 9.911 1.00 0.00 H new ATOM 0 HB2 ALA A 65 115.333 -16.404 9.776 1.00 0.00 H new ATOM 0 HB3 ALA A 65 116.436 -15.578 8.649 1.00 0.00 H new ATOM 1055 N ILE A 66 115.473 -13.895 6.581 1.00 0.00 N ATOM 1056 CA ILE A 66 115.738 -12.697 5.775 1.00 0.00 C ATOM 1057 C ILE A 66 114.502 -12.359 4.929 1.00 0.00 C ATOM 1058 O ILE A 66 114.124 -11.197 4.778 1.00 0.00 O ATOM 1059 CB ILE A 66 116.992 -12.895 4.868 1.00 0.00 C ATOM 1060 CG1 ILE A 66 118.234 -13.154 5.745 1.00 0.00 C ATOM 1061 CG2 ILE A 66 117.208 -11.686 3.948 1.00 0.00 C ATOM 1062 CD1 ILE A 66 119.509 -13.447 4.975 1.00 0.00 C ATOM 0 H ILE A 66 116.061 -14.695 6.347 1.00 0.00 H new ATOM 0 HA ILE A 66 115.947 -11.865 6.447 1.00 0.00 H new ATOM 0 HB ILE A 66 116.827 -13.762 4.229 1.00 0.00 H new ATOM 0 HG12 ILE A 66 118.401 -12.283 6.379 1.00 0.00 H new ATOM 0 HG13 ILE A 66 118.025 -13.995 6.407 1.00 0.00 H new ATOM 0 HG21 ILE A 66 118.089 -11.853 3.328 1.00 0.00 H new ATOM 0 HG22 ILE A 66 116.335 -11.554 3.309 1.00 0.00 H new ATOM 0 HG23 ILE A 66 117.354 -10.791 4.552 1.00 0.00 H new ATOM 0 HD11 ILE A 66 120.327 -13.615 5.676 1.00 0.00 H new ATOM 0 HD12 ILE A 66 119.367 -14.337 4.362 1.00 0.00 H new ATOM 0 HD13 ILE A 66 119.750 -12.599 4.334 1.00 0.00 H new ATOM 1074 N TYR A 67 113.871 -13.396 4.428 1.00 0.00 N ATOM 1075 CA TYR A 67 112.644 -13.306 3.672 1.00 0.00 C ATOM 1076 C TYR A 67 111.574 -12.570 4.470 1.00 0.00 C ATOM 1077 O TYR A 67 111.140 -11.513 4.074 1.00 0.00 O ATOM 1078 CB TYR A 67 112.175 -14.721 3.339 1.00 0.00 C ATOM 1079 CG TYR A 67 110.845 -14.817 2.657 1.00 0.00 C ATOM 1080 CD1 TYR A 67 110.692 -14.419 1.352 1.00 0.00 C ATOM 1081 CD2 TYR A 67 109.745 -15.325 3.328 1.00 0.00 C ATOM 1082 CE1 TYR A 67 109.484 -14.520 0.718 1.00 0.00 C ATOM 1083 CE2 TYR A 67 108.526 -15.430 2.711 1.00 0.00 C ATOM 1084 CZ TYR A 67 108.391 -15.032 1.410 1.00 0.00 C ATOM 1085 OH TYR A 67 107.171 -15.171 0.784 1.00 0.00 O ATOM 0 H TYR A 67 114.207 -14.353 4.539 1.00 0.00 H new ATOM 0 HA TYR A 67 112.820 -12.746 2.754 1.00 0.00 H new ATOM 0 HB2 TYR A 67 112.924 -15.193 2.703 1.00 0.00 H new ATOM 0 HB3 TYR A 67 112.132 -15.297 4.263 1.00 0.00 H new ATOM 0 HD1 TYR A 67 111.540 -14.019 0.816 1.00 0.00 H new ATOM 0 HD2 TYR A 67 109.850 -15.644 4.355 1.00 0.00 H new ATOM 0 HE1 TYR A 67 109.380 -14.205 -0.310 1.00 0.00 H new ATOM 0 HE2 TYR A 67 107.677 -15.825 3.249 1.00 0.00 H new ATOM 0 HH TYR A 67 106.520 -15.545 1.415 1.00 0.00 H new ATOM 1095 N GLU A 68 111.221 -13.086 5.626 1.00 0.00 N ATOM 1096 CA GLU A 68 110.136 -12.510 6.414 1.00 0.00 C ATOM 1097 C GLU A 68 110.474 -11.134 6.993 1.00 0.00 C ATOM 1098 O GLU A 68 109.585 -10.362 7.311 1.00 0.00 O ATOM 1099 CB GLU A 68 109.697 -13.461 7.506 1.00 0.00 C ATOM 1100 CG GLU A 68 109.171 -14.781 6.981 1.00 0.00 C ATOM 1101 CD GLU A 68 108.718 -15.685 8.081 1.00 0.00 C ATOM 1102 OE1 GLU A 68 109.560 -16.351 8.705 1.00 0.00 O ATOM 1103 OE2 GLU A 68 107.507 -15.746 8.354 1.00 0.00 O ATOM 0 H GLU A 68 111.664 -13.902 6.047 1.00 0.00 H new ATOM 0 HA GLU A 68 109.306 -12.357 5.724 1.00 0.00 H new ATOM 0 HB2 GLU A 68 110.540 -13.653 8.170 1.00 0.00 H new ATOM 0 HB3 GLU A 68 108.922 -12.982 8.104 1.00 0.00 H new ATOM 0 HG2 GLU A 68 108.340 -14.594 6.301 1.00 0.00 H new ATOM 0 HG3 GLU A 68 109.951 -15.277 6.403 1.00 0.00 H new ATOM 1110 N LYS A 69 111.745 -10.829 7.100 1.00 0.00 N ATOM 1111 CA LYS A 69 112.170 -9.549 7.635 1.00 0.00 C ATOM 1112 C LYS A 69 112.235 -8.479 6.533 1.00 0.00 C ATOM 1113 O LYS A 69 112.073 -7.272 6.800 1.00 0.00 O ATOM 1114 CB LYS A 69 113.547 -9.699 8.318 1.00 0.00 C ATOM 1115 CG LYS A 69 114.108 -8.416 8.919 1.00 0.00 C ATOM 1116 CD LYS A 69 115.477 -8.640 9.547 1.00 0.00 C ATOM 1117 CE LYS A 69 116.043 -7.341 10.102 1.00 0.00 C ATOM 1118 NZ LYS A 69 117.378 -7.518 10.706 1.00 0.00 N ATOM 0 H LYS A 69 112.507 -11.448 6.824 1.00 0.00 H new ATOM 0 HA LYS A 69 111.436 -9.224 8.372 1.00 0.00 H new ATOM 0 HB2 LYS A 69 113.466 -10.447 9.107 1.00 0.00 H new ATOM 0 HB3 LYS A 69 114.259 -10.082 7.587 1.00 0.00 H new ATOM 0 HG2 LYS A 69 114.184 -7.654 8.144 1.00 0.00 H new ATOM 0 HG3 LYS A 69 113.419 -8.036 9.674 1.00 0.00 H new ATOM 0 HD2 LYS A 69 115.398 -9.377 10.346 1.00 0.00 H new ATOM 0 HD3 LYS A 69 116.160 -9.049 8.802 1.00 0.00 H new ATOM 0 HE2 LYS A 69 116.105 -6.604 9.301 1.00 0.00 H new ATOM 0 HE3 LYS A 69 115.359 -6.941 10.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 117.719 -6.605 11.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 117.317 -8.200 11.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 118.040 -7.874 9.987 1.00 0.00 H new ATOM 1132 N PHE A 70 112.389 -8.913 5.298 1.00 0.00 N ATOM 1133 CA PHE A 70 112.674 -7.994 4.220 1.00 0.00 C ATOM 1134 C PHE A 70 111.860 -8.282 2.960 1.00 0.00 C ATOM 1135 O PHE A 70 111.112 -7.445 2.494 1.00 0.00 O ATOM 1136 CB PHE A 70 114.171 -8.039 3.872 1.00 0.00 C ATOM 1137 CG PHE A 70 115.109 -7.409 4.866 1.00 0.00 C ATOM 1138 CD1 PHE A 70 115.070 -6.044 5.104 1.00 0.00 C ATOM 1139 CD2 PHE A 70 116.048 -8.174 5.535 1.00 0.00 C ATOM 1140 CE1 PHE A 70 115.944 -5.455 5.994 1.00 0.00 C ATOM 1141 CE2 PHE A 70 116.930 -7.589 6.421 1.00 0.00 C ATOM 1142 CZ PHE A 70 116.877 -6.228 6.652 1.00 0.00 C ATOM 0 H PHE A 70 112.322 -9.892 5.019 1.00 0.00 H new ATOM 0 HA PHE A 70 112.391 -7.003 4.574 1.00 0.00 H new ATOM 0 HB2 PHE A 70 114.460 -9.082 3.743 1.00 0.00 H new ATOM 0 HB3 PHE A 70 114.313 -7.547 2.910 1.00 0.00 H new ATOM 0 HD1 PHE A 70 114.346 -5.433 4.586 1.00 0.00 H new ATOM 0 HD2 PHE A 70 116.091 -9.239 5.362 1.00 0.00 H new ATOM 0 HE1 PHE A 70 115.898 -4.391 6.175 1.00 0.00 H new ATOM 0 HE2 PHE A 70 117.662 -8.195 6.934 1.00 0.00 H new ATOM 0 HZ PHE A 70 117.565 -5.770 7.347 1.00 0.00 H new ATOM 1152 N ILE A 71 112.023 -9.468 2.427 1.00 0.00 N ATOM 1153 CA ILE A 71 111.406 -9.869 1.152 1.00 0.00 C ATOM 1154 C ILE A 71 109.878 -9.982 1.270 1.00 0.00 C ATOM 1155 O ILE A 71 109.142 -9.863 0.281 1.00 0.00 O ATOM 1156 CB ILE A 71 112.042 -11.204 0.656 1.00 0.00 C ATOM 1157 CG1 ILE A 71 113.554 -11.039 0.492 1.00 0.00 C ATOM 1158 CG2 ILE A 71 111.414 -11.720 -0.637 1.00 0.00 C ATOM 1159 CD1 ILE A 71 113.954 -9.960 -0.489 1.00 0.00 C ATOM 0 H ILE A 71 112.589 -10.200 2.856 1.00 0.00 H new ATOM 0 HA ILE A 71 111.604 -9.092 0.413 1.00 0.00 H new ATOM 0 HB ILE A 71 111.839 -11.955 1.419 1.00 0.00 H new ATOM 0 HG12 ILE A 71 113.992 -10.812 1.464 1.00 0.00 H new ATOM 0 HG13 ILE A 71 113.979 -11.988 0.165 1.00 0.00 H new ATOM 0 HG21 ILE A 71 111.899 -12.651 -0.931 1.00 0.00 H new ATOM 0 HG22 ILE A 71 110.350 -11.899 -0.479 1.00 0.00 H new ATOM 0 HG23 ILE A 71 111.544 -10.979 -1.426 1.00 0.00 H new ATOM 0 HD11 ILE A 71 115.041 -9.907 -0.548 1.00 0.00 H new ATOM 0 HD12 ILE A 71 113.548 -10.195 -1.473 1.00 0.00 H new ATOM 0 HD13 ILE A 71 113.561 -9.000 -0.154 1.00 0.00 H new ATOM 1171 N GLN A 72 109.420 -10.186 2.478 1.00 0.00 N ATOM 1172 CA GLN A 72 108.011 -10.278 2.757 1.00 0.00 C ATOM 1173 C GLN A 72 107.376 -8.886 2.599 1.00 0.00 C ATOM 1174 O GLN A 72 108.033 -7.866 2.813 1.00 0.00 O ATOM 1175 CB GLN A 72 107.802 -10.828 4.180 1.00 0.00 C ATOM 1176 CG GLN A 72 106.354 -11.087 4.552 1.00 0.00 C ATOM 1177 CD GLN A 72 105.692 -12.077 3.622 1.00 0.00 C ATOM 1178 OE1 GLN A 72 105.118 -11.697 2.602 1.00 0.00 O ATOM 1179 NE2 GLN A 72 105.745 -13.334 3.960 1.00 0.00 N ATOM 0 H GLN A 72 110.016 -10.293 3.299 1.00 0.00 H new ATOM 0 HA GLN A 72 107.531 -10.961 2.056 1.00 0.00 H new ATOM 0 HB2 GLN A 72 108.361 -11.758 4.281 1.00 0.00 H new ATOM 0 HB3 GLN A 72 108.226 -10.122 4.894 1.00 0.00 H new ATOM 0 HG2 GLN A 72 106.305 -11.463 5.574 1.00 0.00 H new ATOM 0 HG3 GLN A 72 105.802 -10.147 4.531 1.00 0.00 H new ATOM 0 HE21 GLN A 72 106.230 -13.613 4.813 1.00 0.00 H new ATOM 0 HE22 GLN A 72 105.302 -14.039 3.372 1.00 0.00 H new ATOM 1188 N THR A 73 106.139 -8.835 2.217 1.00 0.00 N ATOM 1189 CA THR A 73 105.489 -7.568 2.035 1.00 0.00 C ATOM 1190 C THR A 73 104.934 -7.039 3.372 1.00 0.00 C ATOM 1191 O THR A 73 104.997 -5.854 3.673 1.00 0.00 O ATOM 1192 CB THR A 73 104.413 -7.669 0.963 1.00 0.00 C ATOM 1193 OG1 THR A 73 105.012 -8.213 -0.235 1.00 0.00 O ATOM 1194 CG2 THR A 73 103.883 -6.301 0.683 1.00 0.00 C ATOM 0 H THR A 73 105.557 -9.651 2.025 1.00 0.00 H new ATOM 0 HA THR A 73 106.225 -6.843 1.688 1.00 0.00 H new ATOM 0 HB THR A 73 103.599 -8.313 1.295 1.00 0.00 H new ATOM 0 HG1 THR A 73 104.332 -8.287 -0.936 1.00 0.00 H new ATOM 0 HG21 THR A 73 103.111 -6.360 -0.084 1.00 0.00 H new ATOM 0 HG22 THR A 73 103.458 -5.882 1.595 1.00 0.00 H new ATOM 0 HG23 THR A 73 104.693 -5.661 0.334 1.00 0.00 H new ATOM 1202 N ASP A 74 104.423 -7.929 4.165 1.00 0.00 N ATOM 1203 CA ASP A 74 104.004 -7.606 5.544 1.00 0.00 C ATOM 1204 C ASP A 74 105.199 -7.674 6.503 1.00 0.00 C ATOM 1205 O ASP A 74 105.031 -7.786 7.713 1.00 0.00 O ATOM 1206 CB ASP A 74 102.867 -8.530 6.047 1.00 0.00 C ATOM 1207 CG ASP A 74 103.210 -10.011 6.080 1.00 0.00 C ATOM 1208 OD1 ASP A 74 103.738 -10.516 7.092 1.00 0.00 O ATOM 1209 OD2 ASP A 74 102.909 -10.708 5.085 1.00 0.00 O ATOM 0 H ASP A 74 104.274 -8.903 3.901 1.00 0.00 H new ATOM 0 HA ASP A 74 103.615 -6.588 5.525 1.00 0.00 H new ATOM 0 HB2 ASP A 74 102.581 -8.216 7.051 1.00 0.00 H new ATOM 0 HB3 ASP A 74 101.995 -8.388 5.409 1.00 0.00 H new ATOM 1214 N ALA A 75 106.394 -7.544 5.950 1.00 0.00 N ATOM 1215 CA ALA A 75 107.624 -7.587 6.710 1.00 0.00 C ATOM 1216 C ALA A 75 107.721 -6.396 7.647 1.00 0.00 C ATOM 1217 O ALA A 75 107.092 -5.349 7.406 1.00 0.00 O ATOM 1218 CB ALA A 75 108.822 -7.585 5.774 1.00 0.00 C ATOM 0 H ALA A 75 106.534 -7.404 4.949 1.00 0.00 H new ATOM 0 HA ALA A 75 107.622 -8.504 7.299 1.00 0.00 H new ATOM 0 HB1 ALA A 75 109.741 -7.618 6.359 1.00 0.00 H new ATOM 0 HB2 ALA A 75 108.776 -8.457 5.122 1.00 0.00 H new ATOM 0 HB3 ALA A 75 108.809 -6.679 5.169 1.00 0.00 H new ATOM 1224 N PRO A 76 108.500 -6.524 8.725 1.00 0.00 N ATOM 1225 CA PRO A 76 108.719 -5.437 9.667 1.00 0.00 C ATOM 1226 C PRO A 76 109.511 -4.290 9.043 1.00 0.00 C ATOM 1227 O PRO A 76 109.442 -3.155 9.504 1.00 0.00 O ATOM 1228 CB PRO A 76 109.543 -6.091 10.786 1.00 0.00 C ATOM 1229 CG PRO A 76 110.181 -7.271 10.150 1.00 0.00 C ATOM 1230 CD PRO A 76 109.197 -7.761 9.145 1.00 0.00 C ATOM 0 HA PRO A 76 107.780 -4.999 10.007 1.00 0.00 H new ATOM 0 HB2 PRO A 76 110.290 -5.402 11.181 1.00 0.00 H new ATOM 0 HB3 PRO A 76 108.909 -6.387 11.622 1.00 0.00 H new ATOM 0 HG2 PRO A 76 111.124 -6.999 9.676 1.00 0.00 H new ATOM 0 HG3 PRO A 76 110.405 -8.041 10.888 1.00 0.00 H new ATOM 0 HD2 PRO A 76 109.689 -8.251 8.305 1.00 0.00 H new ATOM 0 HD3 PRO A 76 108.507 -8.486 9.577 1.00 0.00 H new ATOM 1238 N LYS A 77 110.257 -4.586 7.986 1.00 0.00 N ATOM 1239 CA LYS A 77 111.100 -3.576 7.373 1.00 0.00 C ATOM 1240 C LYS A 77 110.847 -3.468 5.878 1.00 0.00 C ATOM 1241 O LYS A 77 110.695 -2.363 5.349 1.00 0.00 O ATOM 1242 CB LYS A 77 112.579 -3.879 7.629 1.00 0.00 C ATOM 1243 CG LYS A 77 112.938 -4.062 9.102 1.00 0.00 C ATOM 1244 CD LYS A 77 114.434 -4.186 9.296 1.00 0.00 C ATOM 1245 CE LYS A 77 115.137 -2.882 8.962 1.00 0.00 C ATOM 1246 NZ LYS A 77 114.791 -1.805 9.916 1.00 0.00 N ATOM 0 H LYS A 77 110.294 -5.504 7.543 1.00 0.00 H new ATOM 0 HA LYS A 77 110.846 -2.620 7.831 1.00 0.00 H new ATOM 0 HB2 LYS A 77 112.852 -4.784 7.086 1.00 0.00 H new ATOM 0 HB3 LYS A 77 113.180 -3.068 7.219 1.00 0.00 H new ATOM 0 HG2 LYS A 77 112.564 -3.215 9.677 1.00 0.00 H new ATOM 0 HG3 LYS A 77 112.444 -4.953 9.490 1.00 0.00 H new ATOM 0 HD2 LYS A 77 114.648 -4.465 10.328 1.00 0.00 H new ATOM 0 HD3 LYS A 77 114.821 -4.984 8.663 1.00 0.00 H new ATOM 0 HE2 LYS A 77 116.216 -3.040 8.969 1.00 0.00 H new ATOM 0 HE3 LYS A 77 114.867 -2.573 7.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 115.478 -1.029 9.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 113.837 -1.449 9.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 114.815 -2.179 10.886 1.00 0.00 H new ATOM 1260 N GLU A 78 110.811 -4.631 5.213 1.00 0.00 N ATOM 1261 CA GLU A 78 110.616 -4.756 3.751 1.00 0.00 C ATOM 1262 C GLU A 78 111.850 -4.305 2.970 1.00 0.00 C ATOM 1263 O GLU A 78 112.853 -3.864 3.549 1.00 0.00 O ATOM 1264 CB GLU A 78 109.407 -3.997 3.216 1.00 0.00 C ATOM 1265 CG GLU A 78 108.055 -4.462 3.667 1.00 0.00 C ATOM 1266 CD GLU A 78 106.992 -3.658 2.975 1.00 0.00 C ATOM 1267 OE1 GLU A 78 106.913 -3.716 1.733 1.00 0.00 O ATOM 1268 OE2 GLU A 78 106.260 -2.907 3.645 1.00 0.00 O ATOM 0 H GLU A 78 110.918 -5.532 5.680 1.00 0.00 H new ATOM 0 HA GLU A 78 110.439 -5.821 3.598 1.00 0.00 H new ATOM 0 HB2 GLU A 78 109.515 -2.949 3.495 1.00 0.00 H new ATOM 0 HB3 GLU A 78 109.434 -4.041 2.127 1.00 0.00 H new ATOM 0 HG2 GLU A 78 107.929 -5.521 3.442 1.00 0.00 H new ATOM 0 HG3 GLU A 78 107.963 -4.353 4.748 1.00 0.00 H new ATOM 1275 N VAL A 79 111.774 -4.411 1.653 1.00 0.00 N ATOM 1276 CA VAL A 79 112.870 -4.004 0.778 1.00 0.00 C ATOM 1277 C VAL A 79 112.292 -3.207 -0.367 1.00 0.00 C ATOM 1278 O VAL A 79 111.172 -3.463 -0.775 1.00 0.00 O ATOM 1279 CB VAL A 79 113.634 -5.232 0.164 1.00 0.00 C ATOM 1280 CG1 VAL A 79 114.858 -4.804 -0.625 1.00 0.00 C ATOM 1281 CG2 VAL A 79 114.044 -6.192 1.217 1.00 0.00 C ATOM 0 H VAL A 79 110.960 -4.778 1.160 1.00 0.00 H new ATOM 0 HA VAL A 79 113.574 -3.425 1.376 1.00 0.00 H new ATOM 0 HB VAL A 79 112.935 -5.719 -0.516 1.00 0.00 H new ATOM 0 HG11 VAL A 79 115.355 -5.685 -1.031 1.00 0.00 H new ATOM 0 HG12 VAL A 79 114.554 -4.150 -1.442 1.00 0.00 H new ATOM 0 HG13 VAL A 79 115.545 -4.270 0.031 1.00 0.00 H new ATOM 0 HG21 VAL A 79 114.570 -7.030 0.760 1.00 0.00 H new ATOM 0 HG22 VAL A 79 114.703 -5.693 1.927 1.00 0.00 H new ATOM 0 HG23 VAL A 79 113.160 -6.559 1.739 1.00 0.00 H new ATOM 1291 N ASN A 80 113.055 -2.270 -0.908 1.00 0.00 N ATOM 1292 CA ASN A 80 112.660 -1.496 -2.115 1.00 0.00 C ATOM 1293 C ASN A 80 112.833 -2.376 -3.377 1.00 0.00 C ATOM 1294 O ASN A 80 113.163 -1.892 -4.463 1.00 0.00 O ATOM 1295 CB ASN A 80 113.541 -0.232 -2.260 1.00 0.00 C ATOM 1296 CG ASN A 80 113.388 0.762 -1.127 1.00 0.00 C ATOM 1297 OD1 ASN A 80 112.516 1.627 -1.163 1.00 0.00 O ATOM 1298 ND2 ASN A 80 114.247 0.682 -0.141 1.00 0.00 N ATOM 0 H ASN A 80 113.969 -2.011 -0.536 1.00 0.00 H new ATOM 0 HA ASN A 80 111.617 -1.196 -2.008 1.00 0.00 H new ATOM 0 HB2 ASN A 80 114.586 -0.536 -2.324 1.00 0.00 H new ATOM 0 HB3 ASN A 80 113.295 0.263 -3.199 1.00 0.00 H new ATOM 0 HD21 ASN A 80 114.204 1.351 0.628 1.00 0.00 H new ATOM 0 HD22 ASN A 80 114.958 -0.049 -0.142 1.00 0.00 H new ATOM 1305 N LEU A 81 112.552 -3.643 -3.223 1.00 0.00 N ATOM 1306 CA LEU A 81 112.746 -4.643 -4.234 1.00 0.00 C ATOM 1307 C LEU A 81 111.537 -4.701 -5.156 1.00 0.00 C ATOM 1308 O LEU A 81 110.402 -4.399 -4.738 1.00 0.00 O ATOM 1309 CB LEU A 81 112.952 -5.990 -3.541 1.00 0.00 C ATOM 1310 CG LEU A 81 113.254 -7.190 -4.413 1.00 0.00 C ATOM 1311 CD1 LEU A 81 114.648 -7.089 -4.946 1.00 0.00 C ATOM 1312 CD2 LEU A 81 113.069 -8.473 -3.632 1.00 0.00 C ATOM 0 H LEU A 81 112.167 -4.019 -2.356 1.00 0.00 H new ATOM 0 HA LEU A 81 113.619 -4.399 -4.840 1.00 0.00 H new ATOM 0 HB2 LEU A 81 113.769 -5.879 -2.828 1.00 0.00 H new ATOM 0 HB3 LEU A 81 112.054 -6.212 -2.965 1.00 0.00 H new ATOM 0 HG LEU A 81 112.558 -7.204 -5.252 1.00 0.00 H new ATOM 0 HD11 LEU A 81 114.861 -7.955 -5.573 1.00 0.00 H new ATOM 0 HD12 LEU A 81 114.746 -6.179 -5.538 1.00 0.00 H new ATOM 0 HD13 LEU A 81 115.354 -7.060 -4.116 1.00 0.00 H new ATOM 0 HD21 LEU A 81 113.290 -9.325 -4.275 1.00 0.00 H new ATOM 0 HD22 LEU A 81 113.744 -8.479 -2.776 1.00 0.00 H new ATOM 0 HD23 LEU A 81 112.039 -8.540 -3.282 1.00 0.00 H new ATOM 1324 N ASP A 82 111.779 -5.087 -6.381 1.00 0.00 N ATOM 1325 CA ASP A 82 110.755 -5.187 -7.398 1.00 0.00 C ATOM 1326 C ASP A 82 109.930 -6.451 -7.194 1.00 0.00 C ATOM 1327 O ASP A 82 110.358 -7.396 -6.493 1.00 0.00 O ATOM 1328 CB ASP A 82 111.388 -5.234 -8.791 1.00 0.00 C ATOM 1329 CG ASP A 82 112.117 -6.529 -9.044 1.00 0.00 C ATOM 1330 OD1 ASP A 82 113.182 -6.740 -8.472 1.00 0.00 O ATOM 1331 OD2 ASP A 82 111.604 -7.376 -9.804 1.00 0.00 O ATOM 0 H ASP A 82 112.709 -5.346 -6.710 1.00 0.00 H new ATOM 0 HA ASP A 82 110.113 -4.310 -7.317 1.00 0.00 H new ATOM 0 HB2 ASP A 82 110.612 -5.103 -9.545 1.00 0.00 H new ATOM 0 HB3 ASP A 82 112.083 -4.401 -8.900 1.00 0.00 H new ATOM 1336 N PHE A 83 108.781 -6.479 -7.830 1.00 0.00 N ATOM 1337 CA PHE A 83 107.848 -7.584 -7.739 1.00 0.00 C ATOM 1338 C PHE A 83 108.369 -8.865 -8.319 1.00 0.00 C ATOM 1339 O PHE A 83 108.073 -9.935 -7.797 1.00 0.00 O ATOM 1340 CB PHE A 83 106.523 -7.245 -8.394 1.00 0.00 C ATOM 1341 CG PHE A 83 105.639 -6.410 -7.553 1.00 0.00 C ATOM 1342 CD1 PHE A 83 105.746 -5.040 -7.547 1.00 0.00 C ATOM 1343 CD2 PHE A 83 104.693 -7.013 -6.766 1.00 0.00 C ATOM 1344 CE1 PHE A 83 104.913 -4.271 -6.760 1.00 0.00 C ATOM 1345 CE2 PHE A 83 103.851 -6.265 -5.972 1.00 0.00 C ATOM 1346 CZ PHE A 83 103.960 -4.886 -5.968 1.00 0.00 C ATOM 0 H PHE A 83 108.461 -5.723 -8.436 1.00 0.00 H new ATOM 0 HA PHE A 83 107.706 -7.744 -6.670 1.00 0.00 H new ATOM 0 HB2 PHE A 83 106.715 -6.724 -9.332 1.00 0.00 H new ATOM 0 HB3 PHE A 83 106.004 -8.171 -8.643 1.00 0.00 H new ATOM 0 HD1 PHE A 83 106.490 -4.560 -8.165 1.00 0.00 H new ATOM 0 HD2 PHE A 83 104.606 -8.089 -6.768 1.00 0.00 H new ATOM 0 HE1 PHE A 83 105.005 -3.195 -6.762 1.00 0.00 H new ATOM 0 HE2 PHE A 83 103.110 -6.753 -5.356 1.00 0.00 H new ATOM 0 HZ PHE A 83 103.304 -4.292 -5.349 1.00 0.00 H new ATOM 1356 N HIS A 84 109.153 -8.781 -9.355 1.00 0.00 N ATOM 1357 CA HIS A 84 109.589 -9.977 -10.030 1.00 0.00 C ATOM 1358 C HIS A 84 110.621 -10.737 -9.203 1.00 0.00 C ATOM 1359 O HIS A 84 110.528 -11.961 -9.071 1.00 0.00 O ATOM 1360 CB HIS A 84 110.080 -9.682 -11.463 1.00 0.00 C ATOM 1361 CG HIS A 84 110.685 -10.865 -12.194 1.00 0.00 C ATOM 1362 ND1 HIS A 84 109.968 -11.980 -12.559 1.00 0.00 N ATOM 1363 CD2 HIS A 84 111.956 -11.098 -12.601 1.00 0.00 C ATOM 1364 CE1 HIS A 84 110.764 -12.840 -13.155 1.00 0.00 C ATOM 1365 NE2 HIS A 84 111.976 -12.334 -13.194 1.00 0.00 N ATOM 0 H HIS A 84 109.503 -7.908 -9.750 1.00 0.00 H new ATOM 0 HA HIS A 84 108.723 -10.631 -10.133 1.00 0.00 H new ATOM 0 HB2 HIS A 84 109.241 -9.305 -12.047 1.00 0.00 H new ATOM 0 HB3 HIS A 84 110.822 -8.884 -11.419 1.00 0.00 H new ATOM 0 HD2 HIS A 84 112.798 -10.433 -12.481 1.00 0.00 H new ATOM 0 HE1 HIS A 84 110.470 -13.802 -13.547 1.00 0.00 H new ATOM 0 HE2 HIS A 84 112.796 -12.786 -13.599 1.00 0.00 H new ATOM 1374 N THR A 85 111.574 -10.022 -8.634 1.00 0.00 N ATOM 1375 CA THR A 85 112.583 -10.658 -7.812 1.00 0.00 C ATOM 1376 C THR A 85 111.946 -11.289 -6.575 1.00 0.00 C ATOM 1377 O THR A 85 112.137 -12.484 -6.315 1.00 0.00 O ATOM 1378 CB THR A 85 113.684 -9.675 -7.366 1.00 0.00 C ATOM 1379 OG1 THR A 85 114.300 -9.071 -8.512 1.00 0.00 O ATOM 1380 CG2 THR A 85 114.735 -10.404 -6.548 1.00 0.00 C ATOM 0 H THR A 85 111.669 -9.011 -8.725 1.00 0.00 H new ATOM 0 HA THR A 85 113.047 -11.428 -8.429 1.00 0.00 H new ATOM 0 HB THR A 85 113.229 -8.897 -6.753 1.00 0.00 H new ATOM 0 HG1 THR A 85 113.859 -8.218 -8.709 1.00 0.00 H new ATOM 0 HG21 THR A 85 115.508 -9.700 -6.238 1.00 0.00 H new ATOM 0 HG22 THR A 85 114.269 -10.843 -5.666 1.00 0.00 H new ATOM 0 HG23 THR A 85 115.184 -11.193 -7.152 1.00 0.00 H new ATOM 1388 N LYS A 86 111.140 -10.501 -5.853 1.00 0.00 N ATOM 1389 CA LYS A 86 110.525 -10.975 -4.620 1.00 0.00 C ATOM 1390 C LYS A 86 109.618 -12.159 -4.889 1.00 0.00 C ATOM 1391 O LYS A 86 109.553 -13.075 -4.092 1.00 0.00 O ATOM 1392 CB LYS A 86 109.780 -9.848 -3.876 1.00 0.00 C ATOM 1393 CG LYS A 86 108.551 -9.293 -4.583 1.00 0.00 C ATOM 1394 CD LYS A 86 108.002 -8.064 -3.876 1.00 0.00 C ATOM 1395 CE LYS A 86 107.633 -8.345 -2.427 1.00 0.00 C ATOM 1396 NZ LYS A 86 107.157 -7.131 -1.755 1.00 0.00 N ATOM 0 H LYS A 86 110.903 -9.541 -6.103 1.00 0.00 H new ATOM 0 HA LYS A 86 111.327 -11.309 -3.962 1.00 0.00 H new ATOM 0 HB2 LYS A 86 109.477 -10.222 -2.898 1.00 0.00 H new ATOM 0 HB3 LYS A 86 110.478 -9.029 -3.702 1.00 0.00 H new ATOM 0 HG2 LYS A 86 108.807 -9.037 -5.611 1.00 0.00 H new ATOM 0 HG3 LYS A 86 107.779 -10.062 -4.629 1.00 0.00 H new ATOM 0 HD2 LYS A 86 108.744 -7.266 -3.911 1.00 0.00 H new ATOM 0 HD3 LYS A 86 107.122 -7.704 -4.409 1.00 0.00 H new ATOM 0 HE2 LYS A 86 106.860 -9.112 -2.388 1.00 0.00 H new ATOM 0 HE3 LYS A 86 108.500 -8.740 -1.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 106.354 -7.368 -1.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 107.926 -6.727 -1.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 106.854 -6.436 -2.467 1.00 0.00 H new ATOM 1410 N GLU A 87 108.971 -12.153 -6.050 1.00 0.00 N ATOM 1411 CA GLU A 87 108.101 -13.234 -6.463 1.00 0.00 C ATOM 1412 C GLU A 87 108.864 -14.545 -6.484 1.00 0.00 C ATOM 1413 O GLU A 87 108.484 -15.496 -5.824 1.00 0.00 O ATOM 1414 CB GLU A 87 107.544 -12.956 -7.851 1.00 0.00 C ATOM 1415 CG GLU A 87 106.595 -14.009 -8.362 1.00 0.00 C ATOM 1416 CD GLU A 87 105.359 -14.148 -7.509 1.00 0.00 C ATOM 1417 OE1 GLU A 87 104.691 -13.125 -7.234 1.00 0.00 O ATOM 1418 OE2 GLU A 87 105.030 -15.280 -7.092 1.00 0.00 O ATOM 0 H GLU A 87 109.039 -11.394 -6.728 1.00 0.00 H new ATOM 0 HA GLU A 87 107.280 -13.307 -5.750 1.00 0.00 H new ATOM 0 HB2 GLU A 87 107.029 -11.996 -7.837 1.00 0.00 H new ATOM 0 HB3 GLU A 87 108.375 -12.862 -8.551 1.00 0.00 H new ATOM 0 HG2 GLU A 87 106.301 -13.762 -9.382 1.00 0.00 H new ATOM 0 HG3 GLU A 87 107.112 -14.968 -8.403 1.00 0.00 H new ATOM 1425 N VAL A 88 109.976 -14.561 -7.183 1.00 0.00 N ATOM 1426 CA VAL A 88 110.767 -15.771 -7.324 1.00 0.00 C ATOM 1427 C VAL A 88 111.275 -16.253 -5.957 1.00 0.00 C ATOM 1428 O VAL A 88 111.330 -17.477 -5.689 1.00 0.00 O ATOM 1429 CB VAL A 88 111.946 -15.569 -8.303 1.00 0.00 C ATOM 1430 CG1 VAL A 88 112.674 -16.878 -8.528 1.00 0.00 C ATOM 1431 CG2 VAL A 88 111.440 -15.010 -9.622 1.00 0.00 C ATOM 0 H VAL A 88 110.358 -13.748 -7.666 1.00 0.00 H new ATOM 0 HA VAL A 88 110.118 -16.540 -7.742 1.00 0.00 H new ATOM 0 HB VAL A 88 112.646 -14.856 -7.867 1.00 0.00 H new ATOM 0 HG11 VAL A 88 113.502 -16.720 -9.220 1.00 0.00 H new ATOM 0 HG12 VAL A 88 113.060 -17.247 -7.578 1.00 0.00 H new ATOM 0 HG13 VAL A 88 111.985 -17.610 -8.949 1.00 0.00 H new ATOM 0 HG21 VAL A 88 112.279 -14.872 -10.304 1.00 0.00 H new ATOM 0 HG22 VAL A 88 110.725 -15.706 -10.062 1.00 0.00 H new ATOM 0 HG23 VAL A 88 110.952 -14.051 -9.448 1.00 0.00 H new ATOM 1441 N ILE A 89 111.582 -15.301 -5.083 1.00 0.00 N ATOM 1442 CA ILE A 89 112.031 -15.611 -3.738 1.00 0.00 C ATOM 1443 C ILE A 89 110.891 -16.249 -2.952 1.00 0.00 C ATOM 1444 O ILE A 89 111.080 -17.276 -2.330 1.00 0.00 O ATOM 1445 CB ILE A 89 112.540 -14.358 -2.972 1.00 0.00 C ATOM 1446 CG1 ILE A 89 113.638 -13.641 -3.769 1.00 0.00 C ATOM 1447 CG2 ILE A 89 113.058 -14.751 -1.578 1.00 0.00 C ATOM 1448 CD1 ILE A 89 114.164 -12.390 -3.097 1.00 0.00 C ATOM 0 H ILE A 89 111.526 -14.303 -5.287 1.00 0.00 H new ATOM 0 HA ILE A 89 112.869 -16.302 -3.832 1.00 0.00 H new ATOM 0 HB ILE A 89 111.703 -13.671 -2.850 1.00 0.00 H new ATOM 0 HG12 ILE A 89 114.466 -14.331 -3.930 1.00 0.00 H new ATOM 0 HG13 ILE A 89 113.247 -13.377 -4.752 1.00 0.00 H new ATOM 0 HG21 ILE A 89 113.410 -13.861 -1.056 1.00 0.00 H new ATOM 0 HG22 ILE A 89 112.252 -15.211 -1.007 1.00 0.00 H new ATOM 0 HG23 ILE A 89 113.880 -15.460 -1.682 1.00 0.00 H new ATOM 0 HD11 ILE A 89 114.936 -11.940 -3.720 1.00 0.00 H new ATOM 0 HD12 ILE A 89 113.348 -11.680 -2.960 1.00 0.00 H new ATOM 0 HD13 ILE A 89 114.586 -12.649 -2.126 1.00 0.00 H new ATOM 1460 N THR A 90 109.690 -15.659 -3.035 1.00 0.00 N ATOM 1461 CA THR A 90 108.527 -16.181 -2.316 1.00 0.00 C ATOM 1462 C THR A 90 108.225 -17.630 -2.742 1.00 0.00 C ATOM 1463 O THR A 90 107.796 -18.452 -1.940 1.00 0.00 O ATOM 1464 CB THR A 90 107.231 -15.297 -2.505 1.00 0.00 C ATOM 1465 OG1 THR A 90 106.795 -15.289 -3.865 1.00 0.00 O ATOM 1466 CG2 THR A 90 107.447 -13.860 -2.076 1.00 0.00 C ATOM 0 H THR A 90 109.502 -14.825 -3.591 1.00 0.00 H new ATOM 0 HA THR A 90 108.791 -16.152 -1.259 1.00 0.00 H new ATOM 0 HB THR A 90 106.471 -15.753 -1.870 1.00 0.00 H new ATOM 0 HG1 THR A 90 107.573 -15.343 -4.458 1.00 0.00 H new ATOM 0 HG21 THR A 90 106.528 -13.294 -2.225 1.00 0.00 H new ATOM 0 HG22 THR A 90 107.723 -13.833 -1.022 1.00 0.00 H new ATOM 0 HG23 THR A 90 108.246 -13.419 -2.672 1.00 0.00 H new ATOM 1474 N ASN A 91 108.514 -17.940 -4.001 1.00 0.00 N ATOM 1475 CA ASN A 91 108.229 -19.259 -4.541 1.00 0.00 C ATOM 1476 C ASN A 91 109.251 -20.271 -4.041 1.00 0.00 C ATOM 1477 O ASN A 91 108.899 -21.374 -3.625 1.00 0.00 O ATOM 1478 CB ASN A 91 108.254 -19.275 -6.089 1.00 0.00 C ATOM 1479 CG ASN A 91 107.425 -18.192 -6.782 1.00 0.00 C ATOM 1480 OD1 ASN A 91 107.757 -17.780 -7.893 1.00 0.00 O ATOM 1481 ND2 ASN A 91 106.378 -17.713 -6.167 1.00 0.00 N ATOM 0 H ASN A 91 108.945 -17.295 -4.664 1.00 0.00 H new ATOM 0 HA ASN A 91 107.228 -19.523 -4.201 1.00 0.00 H new ATOM 0 HB2 ASN A 91 109.289 -19.179 -6.417 1.00 0.00 H new ATOM 0 HB3 ASN A 91 107.901 -20.249 -6.429 1.00 0.00 H new ATOM 0 HD21 ASN A 91 105.818 -16.983 -6.607 1.00 0.00 H new ATOM 0 HD22 ASN A 91 106.120 -18.069 -5.246 1.00 0.00 H new ATOM 1488 N SER A 92 110.507 -19.881 -4.034 1.00 0.00 N ATOM 1489 CA SER A 92 111.578 -20.801 -3.726 1.00 0.00 C ATOM 1490 C SER A 92 112.101 -20.625 -2.301 1.00 0.00 C ATOM 1491 O SER A 92 113.107 -21.194 -1.959 1.00 0.00 O ATOM 1492 CB SER A 92 112.725 -20.623 -4.754 1.00 0.00 C ATOM 1493 OG SER A 92 113.766 -21.598 -4.601 1.00 0.00 O ATOM 0 H SER A 92 110.812 -18.929 -4.239 1.00 0.00 H new ATOM 0 HA SER A 92 111.180 -21.813 -3.792 1.00 0.00 H new ATOM 0 HB2 SER A 92 112.316 -20.690 -5.762 1.00 0.00 H new ATOM 0 HB3 SER A 92 113.150 -19.625 -4.648 1.00 0.00 H new ATOM 0 HG SER A 92 113.896 -21.791 -3.649 1.00 0.00 H new ATOM 1499 N ILE A 93 111.406 -19.889 -1.459 1.00 0.00 N ATOM 1500 CA ILE A 93 111.915 -19.664 -0.101 1.00 0.00 C ATOM 1501 C ILE A 93 111.620 -20.891 0.774 1.00 0.00 C ATOM 1502 O ILE A 93 112.253 -21.126 1.803 1.00 0.00 O ATOM 1503 CB ILE A 93 111.328 -18.374 0.540 1.00 0.00 C ATOM 1504 CG1 ILE A 93 112.191 -17.930 1.717 1.00 0.00 C ATOM 1505 CG2 ILE A 93 109.892 -18.579 0.979 1.00 0.00 C ATOM 1506 CD1 ILE A 93 113.561 -17.432 1.296 1.00 0.00 C ATOM 0 H ILE A 93 110.513 -19.444 -1.670 1.00 0.00 H new ATOM 0 HA ILE A 93 112.993 -19.519 -0.168 1.00 0.00 H new ATOM 0 HB ILE A 93 111.333 -17.589 -0.216 1.00 0.00 H new ATOM 0 HG12 ILE A 93 111.675 -17.139 2.260 1.00 0.00 H new ATOM 0 HG13 ILE A 93 112.311 -18.765 2.407 1.00 0.00 H new ATOM 0 HG21 ILE A 93 109.512 -17.659 1.423 1.00 0.00 H new ATOM 0 HG22 ILE A 93 109.282 -18.844 0.116 1.00 0.00 H new ATOM 0 HG23 ILE A 93 109.848 -19.382 1.715 1.00 0.00 H new ATOM 0 HD11 ILE A 93 114.126 -17.131 2.178 1.00 0.00 H new ATOM 0 HD12 ILE A 93 114.094 -18.229 0.778 1.00 0.00 H new ATOM 0 HD13 ILE A 93 113.448 -16.577 0.629 1.00 0.00 H new ATOM 1518 N THR A 94 110.636 -21.653 0.342 1.00 0.00 N ATOM 1519 CA THR A 94 110.265 -22.911 0.960 1.00 0.00 C ATOM 1520 C THR A 94 111.369 -23.978 0.711 1.00 0.00 C ATOM 1521 O THR A 94 111.451 -24.992 1.403 1.00 0.00 O ATOM 1522 CB THR A 94 108.883 -23.384 0.402 1.00 0.00 C ATOM 1523 OG1 THR A 94 108.426 -24.584 1.046 1.00 0.00 O ATOM 1524 CG2 THR A 94 108.943 -23.592 -1.110 1.00 0.00 C ATOM 0 H THR A 94 110.060 -21.411 -0.464 1.00 0.00 H new ATOM 0 HA THR A 94 110.172 -22.773 2.037 1.00 0.00 H new ATOM 0 HB THR A 94 108.167 -22.592 0.621 1.00 0.00 H new ATOM 0 HG1 THR A 94 107.559 -24.847 0.671 1.00 0.00 H new ATOM 0 HG21 THR A 94 107.968 -23.921 -1.471 1.00 0.00 H new ATOM 0 HG22 THR A 94 109.213 -22.654 -1.596 1.00 0.00 H new ATOM 0 HG23 THR A 94 109.691 -24.350 -1.344 1.00 0.00 H new ATOM 1532 N GLN A 95 112.217 -23.717 -0.264 1.00 0.00 N ATOM 1533 CA GLN A 95 113.337 -24.571 -0.596 1.00 0.00 C ATOM 1534 C GLN A 95 114.458 -23.704 -1.163 1.00 0.00 C ATOM 1535 O GLN A 95 114.729 -23.694 -2.373 1.00 0.00 O ATOM 1536 CB GLN A 95 112.930 -25.706 -1.554 1.00 0.00 C ATOM 1537 CG GLN A 95 112.235 -25.261 -2.840 1.00 0.00 C ATOM 1538 CD GLN A 95 111.881 -26.430 -3.721 1.00 0.00 C ATOM 1539 OE1 GLN A 95 112.562 -27.461 -3.706 1.00 0.00 O ATOM 1540 NE2 GLN A 95 110.847 -26.289 -4.491 1.00 0.00 N ATOM 0 H GLN A 95 112.145 -22.891 -0.857 1.00 0.00 H new ATOM 0 HA GLN A 95 113.695 -25.068 0.305 1.00 0.00 H new ATOM 0 HB2 GLN A 95 113.823 -26.271 -1.821 1.00 0.00 H new ATOM 0 HB3 GLN A 95 112.268 -26.389 -1.021 1.00 0.00 H new ATOM 0 HG2 GLN A 95 111.330 -24.707 -2.590 1.00 0.00 H new ATOM 0 HG3 GLN A 95 112.886 -24.578 -3.387 1.00 0.00 H new ATOM 0 HE21 GLN A 95 110.312 -25.421 -4.472 1.00 0.00 H new ATOM 0 HE22 GLN A 95 110.569 -27.046 -5.115 1.00 0.00 H new ATOM 1549 N PRO A 96 115.081 -22.908 -0.302 1.00 0.00 N ATOM 1550 CA PRO A 96 116.033 -21.915 -0.727 1.00 0.00 C ATOM 1551 C PRO A 96 117.383 -22.484 -1.100 1.00 0.00 C ATOM 1552 O PRO A 96 117.733 -23.637 -0.756 1.00 0.00 O ATOM 1553 CB PRO A 96 116.140 -20.984 0.471 1.00 0.00 C ATOM 1554 CG PRO A 96 115.831 -21.837 1.648 1.00 0.00 C ATOM 1555 CD PRO A 96 114.923 -22.927 1.167 1.00 0.00 C ATOM 0 HA PRO A 96 115.703 -21.419 -1.640 1.00 0.00 H new ATOM 0 HB2 PRO A 96 117.138 -20.552 0.547 1.00 0.00 H new ATOM 0 HB3 PRO A 96 115.438 -20.154 0.390 1.00 0.00 H new ATOM 0 HG2 PRO A 96 116.744 -22.254 2.073 1.00 0.00 H new ATOM 0 HG3 PRO A 96 115.351 -21.253 2.433 1.00 0.00 H new ATOM 0 HD2 PRO A 96 115.204 -23.893 1.585 1.00 0.00 H new ATOM 0 HD3 PRO A 96 113.889 -22.742 1.459 1.00 0.00 H new ATOM 1563 N THR A 97 118.123 -21.684 -1.782 1.00 0.00 N ATOM 1564 CA THR A 97 119.426 -21.995 -2.236 1.00 0.00 C ATOM 1565 C THR A 97 120.338 -20.902 -1.798 1.00 0.00 C ATOM 1566 O THR A 97 119.880 -19.896 -1.244 1.00 0.00 O ATOM 1567 CB THR A 97 119.466 -22.154 -3.771 1.00 0.00 C ATOM 1568 OG1 THR A 97 118.820 -21.037 -4.422 1.00 0.00 O ATOM 1569 CG2 THR A 97 118.831 -23.452 -4.206 1.00 0.00 C ATOM 0 H THR A 97 117.818 -20.748 -2.050 1.00 0.00 H new ATOM 0 HA THR A 97 119.743 -22.948 -1.811 1.00 0.00 H new ATOM 0 HB THR A 97 120.514 -22.172 -4.071 1.00 0.00 H new ATOM 0 HG1 THR A 97 118.858 -21.158 -5.394 1.00 0.00 H new ATOM 0 HG21 THR A 97 118.876 -23.533 -5.292 1.00 0.00 H new ATOM 0 HG22 THR A 97 119.368 -24.288 -3.758 1.00 0.00 H new ATOM 0 HG23 THR A 97 117.790 -23.474 -3.883 1.00 0.00 H new ATOM 1577 N LEU A 98 121.596 -21.065 -2.068 1.00 0.00 N ATOM 1578 CA LEU A 98 122.606 -20.151 -1.608 1.00 0.00 C ATOM 1579 C LEU A 98 122.439 -18.758 -2.216 1.00 0.00 C ATOM 1580 O LEU A 98 122.904 -17.761 -1.665 1.00 0.00 O ATOM 1581 CB LEU A 98 123.977 -20.703 -1.941 1.00 0.00 C ATOM 1582 CG LEU A 98 125.076 -20.236 -1.029 1.00 0.00 C ATOM 1583 CD1 LEU A 98 124.753 -20.708 0.367 1.00 0.00 C ATOM 1584 CD2 LEU A 98 126.412 -20.781 -1.484 1.00 0.00 C ATOM 0 H LEU A 98 121.959 -21.843 -2.619 1.00 0.00 H new ATOM 0 HA LEU A 98 122.499 -20.048 -0.528 1.00 0.00 H new ATOM 0 HB2 LEU A 98 123.934 -21.792 -1.909 1.00 0.00 H new ATOM 0 HB3 LEU A 98 124.228 -20.424 -2.964 1.00 0.00 H new ATOM 0 HG LEU A 98 125.145 -19.148 -1.048 1.00 0.00 H new ATOM 0 HD11 LEU A 98 125.536 -20.382 1.052 1.00 0.00 H new ATOM 0 HD12 LEU A 98 123.798 -20.287 0.682 1.00 0.00 H new ATOM 0 HD13 LEU A 98 124.691 -21.796 0.378 1.00 0.00 H new ATOM 0 HD21 LEU A 98 127.195 -20.432 -0.811 1.00 0.00 H new ATOM 0 HD22 LEU A 98 126.383 -21.871 -1.473 1.00 0.00 H new ATOM 0 HD23 LEU A 98 126.621 -20.434 -2.496 1.00 0.00 H new ATOM 1596 N HIS A 99 121.791 -18.685 -3.351 1.00 0.00 N ATOM 1597 CA HIS A 99 121.581 -17.425 -4.014 1.00 0.00 C ATOM 1598 C HIS A 99 120.100 -17.131 -4.220 1.00 0.00 C ATOM 1599 O HIS A 99 119.687 -16.637 -5.273 1.00 0.00 O ATOM 1600 CB HIS A 99 122.389 -17.337 -5.328 1.00 0.00 C ATOM 1601 CG HIS A 99 123.865 -17.135 -5.108 1.00 0.00 C ATOM 1602 ND1 HIS A 99 124.525 -15.979 -5.439 1.00 0.00 N ATOM 1603 CD2 HIS A 99 124.799 -17.933 -4.543 1.00 0.00 C ATOM 1604 CE1 HIS A 99 125.779 -16.070 -5.077 1.00 0.00 C ATOM 1605 NE2 HIS A 99 125.970 -17.242 -4.536 1.00 0.00 N ATOM 0 H HIS A 99 121.397 -19.491 -3.837 1.00 0.00 H new ATOM 0 HA HIS A 99 121.960 -16.642 -3.357 1.00 0.00 H new ATOM 0 HB2 HIS A 99 122.236 -18.251 -5.902 1.00 0.00 H new ATOM 0 HB3 HIS A 99 122.003 -16.514 -5.930 1.00 0.00 H new ATOM 0 HD1 HIS A 99 124.103 -15.172 -5.897 1.00 0.00 H new ATOM 0 HD2 HIS A 99 124.644 -18.933 -4.167 1.00 0.00 H new ATOM 0 HE1 HIS A 99 126.530 -15.304 -5.204 1.00 0.00 H new ATOM 1614 N SER A 100 119.298 -17.400 -3.197 1.00 0.00 N ATOM 1615 CA SER A 100 117.881 -17.065 -3.232 1.00 0.00 C ATOM 1616 C SER A 100 117.658 -15.539 -3.224 1.00 0.00 C ATOM 1617 O SER A 100 116.645 -15.051 -3.715 1.00 0.00 O ATOM 1618 CB SER A 100 117.116 -17.751 -2.080 1.00 0.00 C ATOM 1619 OG SER A 100 117.146 -19.162 -2.245 1.00 0.00 O ATOM 0 H SER A 100 119.605 -17.849 -2.334 1.00 0.00 H new ATOM 0 HA SER A 100 117.478 -17.446 -4.170 1.00 0.00 H new ATOM 0 HB2 SER A 100 117.563 -17.479 -1.124 1.00 0.00 H new ATOM 0 HB3 SER A 100 116.084 -17.401 -2.060 1.00 0.00 H new ATOM 0 HG SER A 100 116.250 -19.483 -2.480 1.00 0.00 H new ATOM 1625 N PHE A 101 118.623 -14.791 -2.714 1.00 0.00 N ATOM 1626 CA PHE A 101 118.503 -13.339 -2.666 1.00 0.00 C ATOM 1627 C PHE A 101 119.507 -12.699 -3.623 1.00 0.00 C ATOM 1628 O PHE A 101 119.761 -11.506 -3.557 1.00 0.00 O ATOM 1629 CB PHE A 101 118.751 -12.820 -1.245 1.00 0.00 C ATOM 1630 CG PHE A 101 117.923 -13.485 -0.189 1.00 0.00 C ATOM 1631 CD1 PHE A 101 116.597 -13.142 -0.004 1.00 0.00 C ATOM 1632 CD2 PHE A 101 118.480 -14.455 0.625 1.00 0.00 C ATOM 1633 CE1 PHE A 101 115.843 -13.758 0.973 1.00 0.00 C ATOM 1634 CE2 PHE A 101 117.732 -15.068 1.597 1.00 0.00 C ATOM 1635 CZ PHE A 101 116.412 -14.719 1.769 1.00 0.00 C ATOM 0 H PHE A 101 119.493 -15.160 -2.329 1.00 0.00 H new ATOM 0 HA PHE A 101 117.490 -13.071 -2.967 1.00 0.00 H new ATOM 0 HB2 PHE A 101 119.805 -12.954 -1.001 1.00 0.00 H new ATOM 0 HB3 PHE A 101 118.553 -11.748 -1.223 1.00 0.00 H new ATOM 0 HD1 PHE A 101 116.147 -12.385 -0.630 1.00 0.00 H new ATOM 0 HD2 PHE A 101 119.515 -14.732 0.493 1.00 0.00 H new ATOM 0 HE1 PHE A 101 114.807 -13.484 1.111 1.00 0.00 H new ATOM 0 HE2 PHE A 101 118.178 -15.824 2.227 1.00 0.00 H new ATOM 0 HZ PHE A 101 115.822 -15.203 2.533 1.00 0.00 H new ATOM 1645 N ASP A 102 120.023 -13.499 -4.552 1.00 0.00 N ATOM 1646 CA ASP A 102 121.070 -13.055 -5.501 1.00 0.00 C ATOM 1647 C ASP A 102 120.609 -11.898 -6.377 1.00 0.00 C ATOM 1648 O ASP A 102 121.332 -10.911 -6.566 1.00 0.00 O ATOM 1649 CB ASP A 102 121.503 -14.208 -6.390 1.00 0.00 C ATOM 1650 CG ASP A 102 122.611 -13.836 -7.343 1.00 0.00 C ATOM 1651 OD1 ASP A 102 123.791 -13.938 -6.954 1.00 0.00 O ATOM 1652 OD2 ASP A 102 122.321 -13.465 -8.496 1.00 0.00 O ATOM 0 H ASP A 102 119.737 -14.470 -4.678 1.00 0.00 H new ATOM 0 HA ASP A 102 121.910 -12.709 -4.899 1.00 0.00 H new ATOM 0 HB2 ASP A 102 121.833 -15.037 -5.764 1.00 0.00 H new ATOM 0 HB3 ASP A 102 120.644 -14.561 -6.961 1.00 0.00 H new ATOM 1657 N ALA A 103 119.405 -12.003 -6.887 1.00 0.00 N ATOM 1658 CA ALA A 103 118.878 -10.981 -7.762 1.00 0.00 C ATOM 1659 C ALA A 103 118.477 -9.784 -6.950 1.00 0.00 C ATOM 1660 O ALA A 103 118.664 -8.643 -7.369 1.00 0.00 O ATOM 1661 CB ALA A 103 117.700 -11.496 -8.561 1.00 0.00 C ATOM 0 H ALA A 103 118.772 -12.784 -6.712 1.00 0.00 H new ATOM 0 HA ALA A 103 119.656 -10.695 -8.469 1.00 0.00 H new ATOM 0 HB1 ALA A 103 117.326 -10.704 -9.210 1.00 0.00 H new ATOM 0 HB2 ALA A 103 118.015 -12.344 -9.169 1.00 0.00 H new ATOM 0 HB3 ALA A 103 116.909 -11.812 -7.881 1.00 0.00 H new ATOM 1667 N ALA A 104 117.963 -10.049 -5.766 1.00 0.00 N ATOM 1668 CA ALA A 104 117.541 -9.003 -4.864 1.00 0.00 C ATOM 1669 C ALA A 104 118.729 -8.166 -4.419 1.00 0.00 C ATOM 1670 O ALA A 104 118.628 -6.945 -4.296 1.00 0.00 O ATOM 1671 CB ALA A 104 116.774 -9.582 -3.693 1.00 0.00 C ATOM 0 H ALA A 104 117.827 -10.993 -5.405 1.00 0.00 H new ATOM 0 HA ALA A 104 116.860 -8.336 -5.393 1.00 0.00 H new ATOM 0 HB1 ALA A 104 116.466 -8.777 -3.026 1.00 0.00 H new ATOM 0 HB2 ALA A 104 115.892 -10.107 -4.060 1.00 0.00 H new ATOM 0 HB3 ALA A 104 117.412 -10.279 -3.149 1.00 0.00 H new ATOM 1677 N GLN A 105 119.856 -8.839 -4.227 1.00 0.00 N ATOM 1678 CA GLN A 105 121.132 -8.216 -3.917 1.00 0.00 C ATOM 1679 C GLN A 105 121.455 -7.204 -5.008 1.00 0.00 C ATOM 1680 O GLN A 105 121.709 -6.028 -4.732 1.00 0.00 O ATOM 1681 CB GLN A 105 122.222 -9.334 -3.831 1.00 0.00 C ATOM 1682 CG GLN A 105 123.659 -8.905 -3.472 1.00 0.00 C ATOM 1683 CD GLN A 105 124.420 -8.190 -4.585 1.00 0.00 C ATOM 1684 OE1 GLN A 105 124.203 -8.435 -5.786 1.00 0.00 O ATOM 1685 NE2 GLN A 105 125.313 -7.324 -4.206 1.00 0.00 N ATOM 0 H GLN A 105 119.907 -9.856 -4.284 1.00 0.00 H new ATOM 0 HA GLN A 105 121.098 -7.693 -2.961 1.00 0.00 H new ATOM 0 HB2 GLN A 105 121.895 -10.065 -3.092 1.00 0.00 H new ATOM 0 HB3 GLN A 105 122.255 -9.846 -4.793 1.00 0.00 H new ATOM 0 HG2 GLN A 105 123.619 -8.250 -2.602 1.00 0.00 H new ATOM 0 HG3 GLN A 105 124.223 -9.790 -3.179 1.00 0.00 H new ATOM 0 HE21 GLN A 105 125.464 -7.149 -3.213 1.00 0.00 H new ATOM 0 HE22 GLN A 105 125.862 -6.820 -4.902 1.00 0.00 H new ATOM 1694 N SER A 106 121.378 -7.657 -6.246 1.00 0.00 N ATOM 1695 CA SER A 106 121.685 -6.832 -7.381 1.00 0.00 C ATOM 1696 C SER A 106 120.686 -5.679 -7.534 1.00 0.00 C ATOM 1697 O SER A 106 121.069 -4.581 -7.927 1.00 0.00 O ATOM 1698 CB SER A 106 121.769 -7.695 -8.629 1.00 0.00 C ATOM 1699 OG SER A 106 122.752 -8.717 -8.434 1.00 0.00 O ATOM 0 H SER A 106 121.100 -8.609 -6.484 1.00 0.00 H new ATOM 0 HA SER A 106 122.657 -6.364 -7.224 1.00 0.00 H new ATOM 0 HB2 SER A 106 120.798 -8.144 -8.840 1.00 0.00 H new ATOM 0 HB3 SER A 106 122.031 -7.082 -9.491 1.00 0.00 H new ATOM 0 HG SER A 106 123.238 -8.549 -7.600 1.00 0.00 H new ATOM 1705 N ARG A 107 119.419 -5.927 -7.189 1.00 0.00 N ATOM 1706 CA ARG A 107 118.395 -4.889 -7.220 1.00 0.00 C ATOM 1707 C ARG A 107 118.743 -3.772 -6.267 1.00 0.00 C ATOM 1708 O ARG A 107 118.838 -2.631 -6.661 1.00 0.00 O ATOM 1709 CB ARG A 107 117.012 -5.438 -6.866 1.00 0.00 C ATOM 1710 CG ARG A 107 116.451 -6.447 -7.849 1.00 0.00 C ATOM 1711 CD ARG A 107 116.303 -5.865 -9.242 1.00 0.00 C ATOM 1712 NE ARG A 107 115.359 -4.739 -9.300 1.00 0.00 N ATOM 1713 CZ ARG A 107 114.944 -4.169 -10.440 1.00 0.00 C ATOM 1714 NH1 ARG A 107 115.468 -4.559 -11.608 1.00 0.00 N ATOM 1715 NH2 ARG A 107 114.020 -3.209 -10.418 1.00 0.00 N ATOM 0 H ARG A 107 119.082 -6.840 -6.885 1.00 0.00 H new ATOM 0 HA ARG A 107 118.362 -4.508 -8.241 1.00 0.00 H new ATOM 0 HB2 ARG A 107 117.064 -5.903 -5.881 1.00 0.00 H new ATOM 0 HB3 ARG A 107 116.315 -4.603 -6.788 1.00 0.00 H new ATOM 0 HG2 ARG A 107 117.106 -7.317 -7.888 1.00 0.00 H new ATOM 0 HG3 ARG A 107 115.480 -6.794 -7.497 1.00 0.00 H new ATOM 0 HD2 ARG A 107 117.279 -5.532 -9.595 1.00 0.00 H new ATOM 0 HD3 ARG A 107 115.968 -6.648 -9.922 1.00 0.00 H new ATOM 0 HE ARG A 107 114.998 -4.370 -8.420 1.00 0.00 H new ATOM 0 HH11 ARG A 107 116.181 -5.288 -11.629 1.00 0.00 H new ATOM 0 HH12 ARG A 107 115.154 -4.127 -12.477 1.00 0.00 H new ATOM 0 HH21 ARG A 107 113.623 -2.903 -9.529 1.00 0.00 H new ATOM 0 HH22 ARG A 107 113.709 -2.780 -11.290 1.00 0.00 H new ATOM 1729 N VAL A 108 118.992 -4.121 -5.031 1.00 0.00 N ATOM 1730 CA VAL A 108 119.279 -3.142 -3.997 1.00 0.00 C ATOM 1731 C VAL A 108 120.582 -2.398 -4.270 1.00 0.00 C ATOM 1732 O VAL A 108 120.689 -1.190 -4.028 1.00 0.00 O ATOM 1733 CB VAL A 108 119.282 -3.791 -2.614 1.00 0.00 C ATOM 1734 CG1 VAL A 108 119.540 -2.765 -1.549 1.00 0.00 C ATOM 1735 CG2 VAL A 108 117.951 -4.457 -2.381 1.00 0.00 C ATOM 0 H VAL A 108 119.003 -5.088 -4.707 1.00 0.00 H new ATOM 0 HA VAL A 108 118.480 -2.401 -4.015 1.00 0.00 H new ATOM 0 HB VAL A 108 120.078 -4.534 -2.568 1.00 0.00 H new ATOM 0 HG11 VAL A 108 119.538 -3.247 -0.571 1.00 0.00 H new ATOM 0 HG12 VAL A 108 120.509 -2.298 -1.721 1.00 0.00 H new ATOM 0 HG13 VAL A 108 118.760 -2.004 -1.580 1.00 0.00 H new ATOM 0 HG21 VAL A 108 117.945 -4.923 -1.396 1.00 0.00 H new ATOM 0 HG22 VAL A 108 117.157 -3.712 -2.435 1.00 0.00 H new ATOM 0 HG23 VAL A 108 117.787 -5.218 -3.143 1.00 0.00 H new ATOM 1745 N TYR A 109 121.547 -3.118 -4.792 1.00 0.00 N ATOM 1746 CA TYR A 109 122.808 -2.549 -5.219 1.00 0.00 C ATOM 1747 C TYR A 109 122.581 -1.402 -6.232 1.00 0.00 C ATOM 1748 O TYR A 109 123.067 -0.294 -6.030 1.00 0.00 O ATOM 1749 CB TYR A 109 123.693 -3.686 -5.770 1.00 0.00 C ATOM 1750 CG TYR A 109 124.787 -3.298 -6.747 1.00 0.00 C ATOM 1751 CD1 TYR A 109 124.528 -3.263 -8.112 1.00 0.00 C ATOM 1752 CD2 TYR A 109 126.069 -2.992 -6.318 1.00 0.00 C ATOM 1753 CE1 TYR A 109 125.498 -2.935 -9.017 1.00 0.00 C ATOM 1754 CE2 TYR A 109 127.060 -2.664 -7.225 1.00 0.00 C ATOM 1755 CZ TYR A 109 126.765 -2.638 -8.578 1.00 0.00 C ATOM 1756 OH TYR A 109 127.748 -2.314 -9.499 1.00 0.00 O ATOM 0 H TYR A 109 121.480 -4.126 -4.935 1.00 0.00 H new ATOM 0 HA TYR A 109 123.329 -2.093 -4.377 1.00 0.00 H new ATOM 0 HB2 TYR A 109 124.158 -4.192 -4.924 1.00 0.00 H new ATOM 0 HB3 TYR A 109 123.045 -4.413 -6.259 1.00 0.00 H new ATOM 0 HD1 TYR A 109 123.536 -3.501 -8.466 1.00 0.00 H new ATOM 0 HD2 TYR A 109 126.297 -3.010 -5.262 1.00 0.00 H new ATOM 0 HE1 TYR A 109 125.269 -2.909 -10.072 1.00 0.00 H new ATOM 0 HE2 TYR A 109 128.057 -2.430 -6.881 1.00 0.00 H new ATOM 0 HH TYR A 109 128.193 -1.485 -9.225 1.00 0.00 H new ATOM 1766 N GLN A 110 121.792 -1.653 -7.273 1.00 0.00 N ATOM 1767 CA GLN A 110 121.514 -0.615 -8.266 1.00 0.00 C ATOM 1768 C GLN A 110 120.601 0.480 -7.715 1.00 0.00 C ATOM 1769 O GLN A 110 120.772 1.652 -8.060 1.00 0.00 O ATOM 1770 CB GLN A 110 120.986 -1.181 -9.590 1.00 0.00 C ATOM 1771 CG GLN A 110 119.861 -2.177 -9.451 1.00 0.00 C ATOM 1772 CD GLN A 110 119.208 -2.526 -10.761 1.00 0.00 C ATOM 1773 OE1 GLN A 110 119.111 -1.700 -11.670 1.00 0.00 O ATOM 1774 NE2 GLN A 110 118.795 -3.756 -10.890 1.00 0.00 N ATOM 0 H GLN A 110 121.340 -2.550 -7.451 1.00 0.00 H new ATOM 0 HA GLN A 110 122.475 -0.152 -8.491 1.00 0.00 H new ATOM 0 HB2 GLN A 110 120.644 -0.353 -10.212 1.00 0.00 H new ATOM 0 HB3 GLN A 110 121.811 -1.658 -10.119 1.00 0.00 H new ATOM 0 HG2 GLN A 110 120.246 -3.087 -8.991 1.00 0.00 H new ATOM 0 HG3 GLN A 110 119.108 -1.772 -8.775 1.00 0.00 H new ATOM 0 HE21 GLN A 110 118.893 -4.411 -10.114 1.00 0.00 H new ATOM 0 HE22 GLN A 110 118.374 -4.063 -11.767 1.00 0.00 H new ATOM 1783 N LEU A 111 119.655 0.095 -6.836 1.00 0.00 N ATOM 1784 CA LEU A 111 118.759 1.056 -6.165 1.00 0.00 C ATOM 1785 C LEU A 111 119.590 2.102 -5.467 1.00 0.00 C ATOM 1786 O LEU A 111 119.474 3.299 -5.736 1.00 0.00 O ATOM 1787 CB LEU A 111 117.909 0.372 -5.087 1.00 0.00 C ATOM 1788 CG LEU A 111 116.944 -0.714 -5.511 1.00 0.00 C ATOM 1789 CD1 LEU A 111 116.323 -1.339 -4.277 1.00 0.00 C ATOM 1790 CD2 LEU A 111 115.868 -0.158 -6.426 1.00 0.00 C ATOM 0 H LEU A 111 119.492 -0.877 -6.574 1.00 0.00 H new ATOM 0 HA LEU A 111 118.111 1.488 -6.927 1.00 0.00 H new ATOM 0 HB2 LEU A 111 118.589 -0.057 -4.351 1.00 0.00 H new ATOM 0 HB3 LEU A 111 117.335 1.145 -4.577 1.00 0.00 H new ATOM 0 HG LEU A 111 117.489 -1.476 -6.068 1.00 0.00 H new ATOM 0 HD11 LEU A 111 115.627 -2.122 -4.577 1.00 0.00 H new ATOM 0 HD12 LEU A 111 117.107 -1.769 -3.654 1.00 0.00 H new ATOM 0 HD13 LEU A 111 115.788 -0.575 -3.712 1.00 0.00 H new ATOM 0 HD21 LEU A 111 115.188 -0.959 -6.716 1.00 0.00 H new ATOM 0 HD22 LEU A 111 115.311 0.619 -5.903 1.00 0.00 H new ATOM 0 HD23 LEU A 111 116.331 0.265 -7.317 1.00 0.00 H new ATOM 1802 N MET A 112 120.477 1.630 -4.607 1.00 0.00 N ATOM 1803 CA MET A 112 121.328 2.498 -3.839 1.00 0.00 C ATOM 1804 C MET A 112 122.259 3.278 -4.724 1.00 0.00 C ATOM 1805 O MET A 112 122.575 4.394 -4.414 1.00 0.00 O ATOM 1806 CB MET A 112 122.120 1.740 -2.783 1.00 0.00 C ATOM 1807 CG MET A 112 121.272 1.121 -1.687 1.00 0.00 C ATOM 1808 SD MET A 112 122.272 0.266 -0.459 1.00 0.00 S ATOM 1809 CE MET A 112 123.106 -0.919 -1.503 1.00 0.00 C ATOM 0 H MET A 112 120.621 0.636 -4.428 1.00 0.00 H new ATOM 0 HA MET A 112 120.670 3.198 -3.324 1.00 0.00 H new ATOM 0 HB2 MET A 112 122.692 0.951 -3.272 1.00 0.00 H new ATOM 0 HB3 MET A 112 122.840 2.421 -2.328 1.00 0.00 H new ATOM 0 HG2 MET A 112 120.687 1.900 -1.199 1.00 0.00 H new ATOM 0 HG3 MET A 112 120.564 0.420 -2.129 1.00 0.00 H new ATOM 0 HE1 MET A 112 123.133 -1.888 -1.004 1.00 0.00 H new ATOM 0 HE2 MET A 112 122.570 -1.012 -2.448 1.00 0.00 H new ATOM 0 HE3 MET A 112 124.124 -0.581 -1.695 1.00 0.00 H new ATOM 1819 N GLU A 113 122.672 2.698 -5.833 1.00 0.00 N ATOM 1820 CA GLU A 113 123.552 3.380 -6.761 1.00 0.00 C ATOM 1821 C GLU A 113 122.867 4.628 -7.367 1.00 0.00 C ATOM 1822 O GLU A 113 123.285 5.769 -7.105 1.00 0.00 O ATOM 1823 CB GLU A 113 124.028 2.430 -7.865 1.00 0.00 C ATOM 1824 CG GLU A 113 125.079 3.041 -8.782 1.00 0.00 C ATOM 1825 CD GLU A 113 125.549 2.098 -9.858 1.00 0.00 C ATOM 1826 OE1 GLU A 113 124.855 1.957 -10.876 1.00 0.00 O ATOM 1827 OE2 GLU A 113 126.647 1.515 -9.732 1.00 0.00 O ATOM 0 H GLU A 113 122.411 1.753 -6.114 1.00 0.00 H new ATOM 0 HA GLU A 113 124.426 3.716 -6.203 1.00 0.00 H new ATOM 0 HB2 GLU A 113 124.437 1.529 -7.407 1.00 0.00 H new ATOM 0 HB3 GLU A 113 123.170 2.122 -8.463 1.00 0.00 H new ATOM 0 HG2 GLU A 113 124.669 3.937 -9.247 1.00 0.00 H new ATOM 0 HG3 GLU A 113 125.935 3.355 -8.184 1.00 0.00 H new ATOM 1834 N GLN A 114 121.784 4.422 -8.091 1.00 0.00 N ATOM 1835 CA GLN A 114 121.104 5.522 -8.784 1.00 0.00 C ATOM 1836 C GLN A 114 120.431 6.507 -7.826 1.00 0.00 C ATOM 1837 O GLN A 114 120.171 7.667 -8.185 1.00 0.00 O ATOM 1838 CB GLN A 114 120.106 5.001 -9.819 1.00 0.00 C ATOM 1839 CG GLN A 114 119.068 4.047 -9.272 1.00 0.00 C ATOM 1840 CD GLN A 114 118.070 3.619 -10.323 1.00 0.00 C ATOM 1841 OE1 GLN A 114 117.029 4.252 -10.506 1.00 0.00 O ATOM 1842 NE2 GLN A 114 118.384 2.586 -11.050 1.00 0.00 N ATOM 0 H GLN A 114 121.349 3.508 -8.220 1.00 0.00 H new ATOM 0 HA GLN A 114 121.884 6.076 -9.307 1.00 0.00 H new ATOM 0 HB2 GLN A 114 119.596 5.851 -10.272 1.00 0.00 H new ATOM 0 HB3 GLN A 114 120.657 4.500 -10.615 1.00 0.00 H new ATOM 0 HG2 GLN A 114 119.566 3.166 -8.867 1.00 0.00 H new ATOM 0 HG3 GLN A 114 118.540 4.523 -8.446 1.00 0.00 H new ATOM 0 HE21 GLN A 114 119.254 2.083 -10.873 1.00 0.00 H new ATOM 0 HE22 GLN A 114 117.760 2.279 -11.797 1.00 0.00 H new ATOM 1851 N ASP A 115 120.156 6.065 -6.629 1.00 0.00 N ATOM 1852 CA ASP A 115 119.515 6.922 -5.650 1.00 0.00 C ATOM 1853 C ASP A 115 120.516 7.539 -4.678 1.00 0.00 C ATOM 1854 O ASP A 115 120.708 8.759 -4.652 1.00 0.00 O ATOM 1855 CB ASP A 115 118.442 6.151 -4.875 1.00 0.00 C ATOM 1856 CG ASP A 115 117.751 6.987 -3.823 1.00 0.00 C ATOM 1857 OD1 ASP A 115 116.782 7.695 -4.151 1.00 0.00 O ATOM 1858 OD2 ASP A 115 118.142 6.932 -2.642 1.00 0.00 O ATOM 0 H ASP A 115 120.362 5.121 -6.302 1.00 0.00 H new ATOM 0 HA ASP A 115 119.046 7.736 -6.202 1.00 0.00 H new ATOM 0 HB2 ASP A 115 117.698 5.773 -5.576 1.00 0.00 H new ATOM 0 HB3 ASP A 115 118.900 5.284 -4.398 1.00 0.00 H new ATOM 1863 N SER A 116 121.199 6.705 -3.935 1.00 0.00 N ATOM 1864 CA SER A 116 122.004 7.169 -2.830 1.00 0.00 C ATOM 1865 C SER A 116 123.512 7.262 -3.143 1.00 0.00 C ATOM 1866 O SER A 116 124.234 7.870 -2.391 1.00 0.00 O ATOM 1867 CB SER A 116 121.751 6.278 -1.597 1.00 0.00 C ATOM 1868 OG SER A 116 122.408 6.778 -0.433 1.00 0.00 O ATOM 0 H SER A 116 121.214 5.695 -4.075 1.00 0.00 H new ATOM 0 HA SER A 116 121.692 8.193 -2.624 1.00 0.00 H new ATOM 0 HB2 SER A 116 120.679 6.214 -1.409 1.00 0.00 H new ATOM 0 HB3 SER A 116 122.099 5.266 -1.803 1.00 0.00 H new ATOM 0 HG SER A 116 123.116 7.401 -0.699 1.00 0.00 H new ATOM 1874 N TYR A 117 123.985 6.673 -4.222 1.00 0.00 N ATOM 1875 CA TYR A 117 125.419 6.717 -4.542 1.00 0.00 C ATOM 1876 C TYR A 117 125.829 8.087 -5.045 1.00 0.00 C ATOM 1877 O TYR A 117 126.819 8.648 -4.596 1.00 0.00 O ATOM 1878 CB TYR A 117 125.791 5.596 -5.509 1.00 0.00 C ATOM 1879 CG TYR A 117 127.134 5.721 -6.174 1.00 0.00 C ATOM 1880 CD1 TYR A 117 128.311 5.768 -5.445 1.00 0.00 C ATOM 1881 CD2 TYR A 117 127.210 5.801 -7.552 1.00 0.00 C ATOM 1882 CE1 TYR A 117 129.523 5.891 -6.080 1.00 0.00 C ATOM 1883 CE2 TYR A 117 128.410 5.922 -8.187 1.00 0.00 C ATOM 1884 CZ TYR A 117 129.561 5.965 -7.454 1.00 0.00 C ATOM 1885 OH TYR A 117 130.756 6.102 -8.096 1.00 0.00 O ATOM 0 H TYR A 117 123.414 6.160 -4.894 1.00 0.00 H new ATOM 0 HA TYR A 117 125.984 6.546 -3.626 1.00 0.00 H new ATOM 0 HB2 TYR A 117 125.762 4.651 -4.967 1.00 0.00 H new ATOM 0 HB3 TYR A 117 125.027 5.543 -6.284 1.00 0.00 H new ATOM 0 HD1 TYR A 117 128.275 5.707 -4.367 1.00 0.00 H new ATOM 0 HD2 TYR A 117 126.302 5.767 -8.136 1.00 0.00 H new ATOM 0 HE1 TYR A 117 130.437 5.929 -5.507 1.00 0.00 H new ATOM 0 HE2 TYR A 117 128.450 5.984 -9.264 1.00 0.00 H new ATOM 0 HH TYR A 117 131.473 5.744 -7.532 1.00 0.00 H new ATOM 1895 N THR A 118 125.059 8.622 -5.948 1.00 0.00 N ATOM 1896 CA THR A 118 125.259 9.983 -6.419 1.00 0.00 C ATOM 1897 C THR A 118 125.114 10.970 -5.221 1.00 0.00 C ATOM 1898 O THR A 118 125.919 11.914 -5.037 1.00 0.00 O ATOM 1899 CB THR A 118 124.254 10.291 -7.571 1.00 0.00 C ATOM 1900 OG1 THR A 118 124.192 11.693 -7.870 1.00 0.00 O ATOM 1901 CG2 THR A 118 122.869 9.745 -7.251 1.00 0.00 C ATOM 0 H THR A 118 124.274 8.138 -6.384 1.00 0.00 H new ATOM 0 HA THR A 118 126.263 10.104 -6.825 1.00 0.00 H new ATOM 0 HB THR A 118 124.625 9.784 -8.462 1.00 0.00 H new ATOM 0 HG1 THR A 118 123.553 11.844 -8.597 1.00 0.00 H new ATOM 0 HG21 THR A 118 122.189 9.974 -8.071 1.00 0.00 H new ATOM 0 HG22 THR A 118 122.926 8.665 -7.118 1.00 0.00 H new ATOM 0 HG23 THR A 118 122.500 10.205 -6.334 1.00 0.00 H new ATOM 1909 N ARG A 119 124.150 10.674 -4.367 1.00 0.00 N ATOM 1910 CA ARG A 119 123.907 11.429 -3.155 1.00 0.00 C ATOM 1911 C ARG A 119 125.143 11.313 -2.236 1.00 0.00 C ATOM 1912 O ARG A 119 125.610 12.291 -1.676 1.00 0.00 O ATOM 1913 CB ARG A 119 122.651 10.862 -2.488 1.00 0.00 C ATOM 1914 CG ARG A 119 122.173 11.571 -1.240 1.00 0.00 C ATOM 1915 CD ARG A 119 121.808 13.011 -1.491 1.00 0.00 C ATOM 1916 NE ARG A 119 121.223 13.631 -0.296 1.00 0.00 N ATOM 1917 CZ ARG A 119 120.726 14.872 -0.254 1.00 0.00 C ATOM 1918 NH1 ARG A 119 120.859 15.683 -1.297 1.00 0.00 N ATOM 1919 NH2 ARG A 119 120.151 15.313 0.848 1.00 0.00 N ATOM 0 H ARG A 119 123.508 9.893 -4.499 1.00 0.00 H new ATOM 0 HA ARG A 119 123.746 12.486 -3.367 1.00 0.00 H new ATOM 0 HB2 ARG A 119 121.842 10.873 -3.218 1.00 0.00 H new ATOM 0 HB3 ARG A 119 122.839 9.818 -2.237 1.00 0.00 H new ATOM 0 HG2 ARG A 119 121.306 11.046 -0.839 1.00 0.00 H new ATOM 0 HG3 ARG A 119 122.953 11.526 -0.480 1.00 0.00 H new ATOM 0 HD2 ARG A 119 122.696 13.566 -1.793 1.00 0.00 H new ATOM 0 HD3 ARG A 119 121.099 13.070 -2.317 1.00 0.00 H new ATOM 0 HE ARG A 119 121.194 13.078 0.560 1.00 0.00 H new ATOM 0 HH11 ARG A 119 121.342 15.360 -2.135 1.00 0.00 H new ATOM 0 HH12 ARG A 119 120.478 16.628 -1.260 1.00 0.00 H new ATOM 0 HH21 ARG A 119 120.086 14.708 1.667 1.00 0.00 H new ATOM 0 HH22 ARG A 119 119.771 16.259 0.882 1.00 0.00 H new ATOM 1933 N PHE A 120 125.685 10.112 -2.155 1.00 0.00 N ATOM 1934 CA PHE A 120 126.893 9.826 -1.403 1.00 0.00 C ATOM 1935 C PHE A 120 128.079 10.595 -1.969 1.00 0.00 C ATOM 1936 O PHE A 120 128.898 11.082 -1.233 1.00 0.00 O ATOM 1937 CB PHE A 120 127.172 8.310 -1.378 1.00 0.00 C ATOM 1938 CG PHE A 120 128.509 7.915 -0.810 1.00 0.00 C ATOM 1939 CD1 PHE A 120 128.729 7.881 0.557 1.00 0.00 C ATOM 1940 CD2 PHE A 120 129.547 7.575 -1.657 1.00 0.00 C ATOM 1941 CE1 PHE A 120 129.965 7.517 1.059 1.00 0.00 C ATOM 1942 CE2 PHE A 120 130.772 7.212 -1.160 1.00 0.00 C ATOM 1943 CZ PHE A 120 130.983 7.182 0.198 1.00 0.00 C ATOM 0 H PHE A 120 125.291 9.293 -2.618 1.00 0.00 H new ATOM 0 HA PHE A 120 126.743 10.157 -0.375 1.00 0.00 H new ATOM 0 HB2 PHE A 120 126.390 7.822 -0.797 1.00 0.00 H new ATOM 0 HB3 PHE A 120 127.100 7.926 -2.396 1.00 0.00 H new ATOM 0 HD1 PHE A 120 127.930 8.141 1.235 1.00 0.00 H new ATOM 0 HD2 PHE A 120 129.391 7.596 -2.725 1.00 0.00 H new ATOM 0 HE1 PHE A 120 130.130 7.496 2.126 1.00 0.00 H new ATOM 0 HE2 PHE A 120 131.572 6.949 -1.836 1.00 0.00 H new ATOM 0 HZ PHE A 120 131.948 6.895 0.588 1.00 0.00 H new ATOM 1953 N LEU A 121 128.143 10.743 -3.262 1.00 0.00 N ATOM 1954 CA LEU A 121 129.226 11.502 -3.865 1.00 0.00 C ATOM 1955 C LEU A 121 129.175 12.977 -3.453 1.00 0.00 C ATOM 1956 O LEU A 121 130.191 13.670 -3.472 1.00 0.00 O ATOM 1957 CB LEU A 121 129.263 11.312 -5.380 1.00 0.00 C ATOM 1958 CG LEU A 121 129.531 9.875 -5.831 1.00 0.00 C ATOM 1959 CD1 LEU A 121 129.518 9.768 -7.347 1.00 0.00 C ATOM 1960 CD2 LEU A 121 130.860 9.395 -5.265 1.00 0.00 C ATOM 0 H LEU A 121 127.469 10.356 -3.922 1.00 0.00 H new ATOM 0 HA LEU A 121 130.167 11.108 -3.481 1.00 0.00 H new ATOM 0 HB2 LEU A 121 128.311 11.639 -5.798 1.00 0.00 H new ATOM 0 HB3 LEU A 121 130.034 11.960 -5.796 1.00 0.00 H new ATOM 0 HG LEU A 121 128.735 9.236 -5.449 1.00 0.00 H new ATOM 0 HD11 LEU A 121 129.711 8.736 -7.641 1.00 0.00 H new ATOM 0 HD12 LEU A 121 128.543 10.077 -7.725 1.00 0.00 H new ATOM 0 HD13 LEU A 121 130.290 10.414 -7.764 1.00 0.00 H new ATOM 0 HD21 LEU A 121 131.045 8.371 -5.590 1.00 0.00 H new ATOM 0 HD22 LEU A 121 131.662 10.040 -5.623 1.00 0.00 H new ATOM 0 HD23 LEU A 121 130.826 9.430 -4.176 1.00 0.00 H new ATOM 1972 N LYS A 122 127.989 13.446 -3.086 1.00 0.00 N ATOM 1973 CA LYS A 122 127.835 14.793 -2.521 1.00 0.00 C ATOM 1974 C LYS A 122 127.646 14.741 -0.979 1.00 0.00 C ATOM 1975 O LYS A 122 127.379 15.773 -0.346 1.00 0.00 O ATOM 1976 CB LYS A 122 126.629 15.517 -3.139 1.00 0.00 C ATOM 1977 CG LYS A 122 126.678 15.827 -4.644 1.00 0.00 C ATOM 1978 CD LYS A 122 127.771 16.837 -5.027 1.00 0.00 C ATOM 1979 CE LYS A 122 129.133 16.191 -5.227 1.00 0.00 C ATOM 1980 NZ LYS A 122 129.153 15.278 -6.394 1.00 0.00 N ATOM 0 H LYS A 122 127.119 12.920 -3.167 1.00 0.00 H new ATOM 0 HA LYS A 122 128.749 15.339 -2.755 1.00 0.00 H new ATOM 0 HB2 LYS A 122 125.742 14.913 -2.949 1.00 0.00 H new ATOM 0 HB3 LYS A 122 126.494 16.458 -2.607 1.00 0.00 H new ATOM 0 HG2 LYS A 122 126.843 14.900 -5.193 1.00 0.00 H new ATOM 0 HG3 LYS A 122 125.709 16.215 -4.959 1.00 0.00 H new ATOM 0 HD2 LYS A 122 127.480 17.349 -5.944 1.00 0.00 H new ATOM 0 HD3 LYS A 122 127.846 17.596 -4.248 1.00 0.00 H new ATOM 0 HE2 LYS A 122 129.885 16.968 -5.363 1.00 0.00 H new ATOM 0 HE3 LYS A 122 129.406 15.636 -4.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 130.137 15.114 -6.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 128.714 14.372 -6.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 128.622 15.706 -7.179 1.00 0.00 H new ATOM 1994 N SER A 123 127.733 13.554 -0.391 1.00 0.00 N ATOM 1995 CA SER A 123 127.558 13.404 1.056 1.00 0.00 C ATOM 1996 C SER A 123 128.754 13.937 1.819 1.00 0.00 C ATOM 1997 O SER A 123 129.889 13.915 1.320 1.00 0.00 O ATOM 1998 CB SER A 123 127.335 11.942 1.457 1.00 0.00 C ATOM 1999 OG SER A 123 128.516 11.160 1.311 1.00 0.00 O ATOM 0 H SER A 123 127.922 12.683 -0.887 1.00 0.00 H new ATOM 0 HA SER A 123 126.672 13.984 1.314 1.00 0.00 H new ATOM 0 HB2 SER A 123 126.997 11.898 2.492 1.00 0.00 H new ATOM 0 HB3 SER A 123 126.541 11.516 0.844 1.00 0.00 H new ATOM 0 HG SER A 123 128.925 11.345 0.440 1.00 0.00 H new ATOM 2005 N ASP A 124 128.501 14.346 3.044 1.00 0.00 N ATOM 2006 CA ASP A 124 129.512 14.893 3.934 1.00 0.00 C ATOM 2007 C ASP A 124 130.617 13.885 4.194 1.00 0.00 C ATOM 2008 O ASP A 124 131.781 14.238 4.162 1.00 0.00 O ATOM 2009 CB ASP A 124 128.862 15.334 5.254 1.00 0.00 C ATOM 2010 CG ASP A 124 129.850 15.851 6.278 1.00 0.00 C ATOM 2011 OD1 ASP A 124 130.247 17.034 6.192 1.00 0.00 O ATOM 2012 OD2 ASP A 124 130.216 15.099 7.204 1.00 0.00 O ATOM 0 H ASP A 124 127.571 14.308 3.460 1.00 0.00 H new ATOM 0 HA ASP A 124 129.962 15.761 3.452 1.00 0.00 H new ATOM 0 HB2 ASP A 124 128.129 16.113 5.045 1.00 0.00 H new ATOM 0 HB3 ASP A 124 128.319 14.491 5.680 1.00 0.00 H new ATOM 2017 N ILE A 125 130.248 12.619 4.404 1.00 0.00 N ATOM 2018 CA ILE A 125 131.240 11.577 4.656 1.00 0.00 C ATOM 2019 C ILE A 125 132.175 11.385 3.449 1.00 0.00 C ATOM 2020 O ILE A 125 133.388 11.323 3.610 1.00 0.00 O ATOM 2021 CB ILE A 125 130.605 10.205 5.119 1.00 0.00 C ATOM 2022 CG1 ILE A 125 131.693 9.170 5.460 1.00 0.00 C ATOM 2023 CG2 ILE A 125 129.652 9.628 4.082 1.00 0.00 C ATOM 2024 CD1 ILE A 125 132.605 9.574 6.598 1.00 0.00 C ATOM 0 H ILE A 125 129.281 12.295 4.404 1.00 0.00 H new ATOM 0 HA ILE A 125 131.838 11.930 5.496 1.00 0.00 H new ATOM 0 HB ILE A 125 130.029 10.424 6.018 1.00 0.00 H new ATOM 0 HG12 ILE A 125 131.212 8.225 5.714 1.00 0.00 H new ATOM 0 HG13 ILE A 125 132.298 8.991 4.571 1.00 0.00 H new ATOM 0 HG21 ILE A 125 129.243 8.686 4.448 1.00 0.00 H new ATOM 0 HG22 ILE A 125 128.839 10.332 3.904 1.00 0.00 H new ATOM 0 HG23 ILE A 125 130.191 9.452 3.151 1.00 0.00 H new ATOM 0 HD11 ILE A 125 133.341 8.789 6.771 1.00 0.00 H new ATOM 0 HD12 ILE A 125 133.118 10.501 6.342 1.00 0.00 H new ATOM 0 HD13 ILE A 125 132.015 9.724 7.502 1.00 0.00 H new ATOM 2036 N TYR A 126 131.627 11.365 2.237 1.00 0.00 N ATOM 2037 CA TYR A 126 132.466 11.172 1.068 1.00 0.00 C ATOM 2038 C TYR A 126 133.294 12.415 0.788 1.00 0.00 C ATOM 2039 O TYR A 126 134.465 12.321 0.420 1.00 0.00 O ATOM 2040 CB TYR A 126 131.660 10.758 -0.156 1.00 0.00 C ATOM 2041 CG TYR A 126 132.511 10.498 -1.378 1.00 0.00 C ATOM 2042 CD1 TYR A 126 133.366 9.412 -1.426 1.00 0.00 C ATOM 2043 CD2 TYR A 126 132.491 11.359 -2.459 1.00 0.00 C ATOM 2044 CE1 TYR A 126 134.162 9.183 -2.514 1.00 0.00 C ATOM 2045 CE2 TYR A 126 133.289 11.148 -3.549 1.00 0.00 C ATOM 2046 CZ TYR A 126 134.118 10.062 -3.584 1.00 0.00 C ATOM 2047 OH TYR A 126 134.926 9.865 -4.680 1.00 0.00 O ATOM 0 H TYR A 126 130.632 11.477 2.045 1.00 0.00 H new ATOM 0 HA TYR A 126 133.147 10.350 1.289 1.00 0.00 H new ATOM 0 HB2 TYR A 126 131.092 9.858 0.080 1.00 0.00 H new ATOM 0 HB3 TYR A 126 130.936 11.540 -0.386 1.00 0.00 H new ATOM 0 HD1 TYR A 126 133.406 8.732 -0.588 1.00 0.00 H new ATOM 0 HD2 TYR A 126 131.832 12.215 -2.442 1.00 0.00 H new ATOM 0 HE1 TYR A 126 134.818 8.326 -2.539 1.00 0.00 H new ATOM 0 HE2 TYR A 126 133.264 11.837 -4.380 1.00 0.00 H new ATOM 0 HH TYR A 126 135.376 8.998 -4.603 1.00 0.00 H new ATOM 2057 N LEU A 127 132.705 13.571 1.007 1.00 0.00 N ATOM 2058 CA LEU A 127 133.408 14.832 0.833 1.00 0.00 C ATOM 2059 C LEU A 127 134.555 14.940 1.854 1.00 0.00 C ATOM 2060 O LEU A 127 135.583 15.576 1.602 1.00 0.00 O ATOM 2061 CB LEU A 127 132.427 16.014 0.953 1.00 0.00 C ATOM 2062 CG LEU A 127 131.330 16.101 -0.130 1.00 0.00 C ATOM 2063 CD1 LEU A 127 130.466 17.330 0.063 1.00 0.00 C ATOM 2064 CD2 LEU A 127 131.920 16.080 -1.532 1.00 0.00 C ATOM 0 H LEU A 127 131.735 13.668 1.308 1.00 0.00 H new ATOM 0 HA LEU A 127 133.843 14.867 -0.166 1.00 0.00 H new ATOM 0 HB2 LEU A 127 131.943 15.960 1.928 1.00 0.00 H new ATOM 0 HB3 LEU A 127 133.002 16.940 0.934 1.00 0.00 H new ATOM 0 HG LEU A 127 130.701 15.218 -0.019 1.00 0.00 H new ATOM 0 HD11 LEU A 127 129.703 17.364 -0.714 1.00 0.00 H new ATOM 0 HD12 LEU A 127 129.986 17.288 1.041 1.00 0.00 H new ATOM 0 HD13 LEU A 127 131.086 18.224 0.002 1.00 0.00 H new ATOM 0 HD21 LEU A 127 131.117 16.143 -2.266 1.00 0.00 H new ATOM 0 HD22 LEU A 127 132.592 16.929 -1.657 1.00 0.00 H new ATOM 0 HD23 LEU A 127 132.474 15.153 -1.680 1.00 0.00 H new ATOM 2076 N ASP A 128 134.377 14.282 2.975 1.00 0.00 N ATOM 2077 CA ASP A 128 135.367 14.220 4.047 1.00 0.00 C ATOM 2078 C ASP A 128 136.499 13.238 3.682 1.00 0.00 C ATOM 2079 O ASP A 128 137.650 13.388 4.109 1.00 0.00 O ATOM 2080 CB ASP A 128 134.661 13.810 5.340 1.00 0.00 C ATOM 2081 CG ASP A 128 135.539 13.776 6.550 1.00 0.00 C ATOM 2082 OD1 ASP A 128 135.961 14.851 7.032 1.00 0.00 O ATOM 2083 OD2 ASP A 128 135.772 12.693 7.078 1.00 0.00 O ATOM 0 H ASP A 128 133.525 13.761 3.181 1.00 0.00 H new ATOM 0 HA ASP A 128 135.827 15.198 4.189 1.00 0.00 H new ATOM 0 HB2 ASP A 128 133.839 14.502 5.524 1.00 0.00 H new ATOM 0 HB3 ASP A 128 134.221 12.823 5.200 1.00 0.00 H new ATOM 2088 N LEU A 129 136.173 12.250 2.852 1.00 0.00 N ATOM 2089 CA LEU A 129 137.176 11.300 2.351 1.00 0.00 C ATOM 2090 C LEU A 129 137.975 11.986 1.256 1.00 0.00 C ATOM 2091 O LEU A 129 139.143 11.692 1.039 1.00 0.00 O ATOM 2092 CB LEU A 129 136.512 10.046 1.756 1.00 0.00 C ATOM 2093 CG LEU A 129 135.460 9.350 2.619 1.00 0.00 C ATOM 2094 CD1 LEU A 129 134.723 8.326 1.806 1.00 0.00 C ATOM 2095 CD2 LEU A 129 136.091 8.690 3.835 1.00 0.00 C ATOM 0 H LEU A 129 135.227 12.083 2.510 1.00 0.00 H new ATOM 0 HA LEU A 129 137.813 10.994 3.181 1.00 0.00 H new ATOM 0 HB2 LEU A 129 136.046 10.324 0.810 1.00 0.00 H new ATOM 0 HB3 LEU A 129 137.295 9.324 1.526 1.00 0.00 H new ATOM 0 HG LEU A 129 134.759 10.107 2.970 1.00 0.00 H new ATOM 0 HD11 LEU A 129 133.976 7.835 2.430 1.00 0.00 H new ATOM 0 HD12 LEU A 129 134.230 8.815 0.966 1.00 0.00 H new ATOM 0 HD13 LEU A 129 135.427 7.583 1.432 1.00 0.00 H new ATOM 0 HD21 LEU A 129 135.316 8.204 4.428 1.00 0.00 H new ATOM 0 HD22 LEU A 129 136.819 7.947 3.509 1.00 0.00 H new ATOM 0 HD23 LEU A 129 136.591 9.446 4.441 1.00 0.00 H new ATOM 2107 N MET A 130 137.311 12.911 0.572 1.00 0.00 N ATOM 2108 CA MET A 130 137.912 13.695 -0.498 1.00 0.00 C ATOM 2109 C MET A 130 139.013 14.576 0.011 1.00 0.00 C ATOM 2110 O MET A 130 140.090 14.630 -0.572 1.00 0.00 O ATOM 2111 CB MET A 130 136.878 14.543 -1.209 1.00 0.00 C ATOM 2112 CG MET A 130 135.854 13.797 -2.094 1.00 0.00 C ATOM 2113 SD MET A 130 136.588 12.922 -3.506 1.00 0.00 S ATOM 2114 CE MET A 130 137.390 11.525 -2.715 1.00 0.00 C ATOM 0 H MET A 130 136.332 13.139 0.747 1.00 0.00 H new ATOM 0 HA MET A 130 138.335 12.982 -1.206 1.00 0.00 H new ATOM 0 HB2 MET A 130 136.328 15.110 -0.457 1.00 0.00 H new ATOM 0 HB3 MET A 130 137.403 15.267 -1.833 1.00 0.00 H new ATOM 0 HG2 MET A 130 135.313 13.079 -1.478 1.00 0.00 H new ATOM 0 HG3 MET A 130 135.122 14.514 -2.466 1.00 0.00 H new ATOM 0 HE1 MET A 130 138.472 11.630 -2.801 1.00 0.00 H new ATOM 0 HE2 MET A 130 137.111 11.494 -1.662 1.00 0.00 H new ATOM 0 HE3 MET A 130 137.075 10.602 -3.201 1.00 0.00 H new