USER MOD reduce.3.24.130724 H: found=0, std=0, add=985, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 961 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 118 HIS : no HD1:sc= -0.11 K(o=-6.3,f=-0.96) USER MOD Set 1.2: A 119 HIS : no HD1:sc= -6.17! C(o=-6.3!,f=-0.96!) USER MOD Set 2.1: A 105 THR OG1 : rot -51:sc= -1.38! USER MOD Set 2.2: A 110 SER OG : rot 139:sc= 0.00826! USER MOD Set 3.1: A 72 LYS NZ :NH3+ 180:sc= -8.13! (180deg=-8.2!) USER MOD Set 3.2: A 73 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 20 HIS : no HD1:sc= -28.3! C(o=-58!,f=-62!) USER MOD Set 4.2: A 38 HIS : no HD1:sc= -29.4! C(o=-58!,f=-63!) USER MOD Set 5.1: A 35 ASN : amide:sc= -12.8! C(o=-12!,f=-23!) USER MOD Set 5.2: A 37 THR OG1 : rot 103:sc= 0.919 USER MOD Set 6.1: A 21 SER OG : rot -59:sc= -8.45! USER MOD Set 6.2: A 95 GLN : amide:sc= 0 X(o=-8.5,f=-8.5) USER MOD Set 7.1: A 4 GLN : amide:sc= -17.4! C(o=-28!,f=-29!) USER MOD Set 7.2: A 6 TYR OH : rot 36:sc= -10.2! USER MOD Single : A 2 SER OG : rot 180:sc= -0.95 USER MOD Single : A 3 ASN : amide:sc= -4.58! C(o=-4.6!,f=-0.33!) USER MOD Single : A 7 SER OG : rot 180:sc= -1.19 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 53:sc= -2.79! USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 117:sc= -13.7! USER MOD Single : A 24 SER OG : rot 180:sc= -0.227 USER MOD Single : A 26 MET CE :methyl -169:sc= -17.3! (180deg=-18.8!) USER MOD Single : A 27 LYS NZ :NH3+ 173:sc= -18! (180deg=-19.1!) USER MOD Single : A 29 LYS NZ :NH3+ 152:sc= -0.923 (180deg=-2.51!) USER MOD Single : A 30 LYS NZ :NH3+ -155:sc= -0.767 (180deg=-2.16!) USER MOD Single : A 41 LYS NZ :NH3+ -128:sc= -15.7! (180deg=-18.1!) USER MOD Single : A 44 ASN : amide:sc= -54.4! C(o=-54!,f=-46!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -130:sc= -6.59! (180deg=-8.71!) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -81:sc= -22.4! USER MOD Single : A 63 HIS : no HD1:sc= -30.4! C(o=-30!,f=-35!) USER MOD Single : A 65 LYS NZ :NH3+ -135:sc= -1.87! (180deg=-3.01!) USER MOD Single : A 67 GLN : amide:sc= -0.534 X(o=-0.53,f=-0.17) USER MOD Single : A 74 GLN : amide:sc= -76.4! C(o=-76!,f=-67!) USER MOD Single : A 76 THR OG1 : rot -110:sc= -0.838 USER MOD Single : A 81 ASN : amide:sc= -1.62! C(o=-1.6!,f=-11!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= -0.0571 (180deg=-0.0571) USER MOD Single : A 91 SER OG : rot 82:sc= -2.9! USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 158:sc= -6.45! USER MOD Single : A 104 GLN : amide:sc= -0.0452 X(o=-0.045,f=-0.29) USER MOD Single : A 108 SER OG : rot -108:sc= 0.696 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 HIS : no HE2:sc= -0.0835! C(o=-0.084!,f=-11!) USER MOD Single : A 121 SER OG : rot 41:sc= 0.816 USER MOD Single : A 122 LYS NZ :NH3+ -153:sc= -6.01! (180deg=-8.32!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 -4.998 -5.015 10.120 1.00 1.00 N ATOM 2 CA SER A 2 -5.474 -3.763 10.774 1.00 1.00 C ATOM 3 C SER A 2 -4.884 -2.539 10.069 1.00 1.00 C ATOM 4 O SER A 2 -5.364 -2.113 9.037 1.00 1.00 O ATOM 5 CB SER A 2 -4.967 -3.849 12.212 1.00 1.00 C ATOM 6 OG SER A 2 -5.804 -3.067 13.054 1.00 1.00 O ATOM 0 HA SER A 2 -6.558 -3.662 10.730 1.00 1.00 H new ATOM 0 HB2 SER A 2 -4.963 -4.886 12.547 1.00 1.00 H new ATOM 0 HB3 SER A 2 -3.939 -3.492 12.269 1.00 1.00 H new ATOM 0 HG SER A 2 -5.482 -3.122 13.978 1.00 1.00 H new ATOM 12 N ASN A 3 -3.845 -1.971 10.617 1.00 1.00 N ATOM 13 CA ASN A 3 -3.223 -0.774 9.979 1.00 1.00 C ATOM 14 C ASN A 3 -2.207 -1.205 8.918 1.00 1.00 C ATOM 15 O ASN A 3 -1.526 -0.390 8.329 1.00 1.00 O ATOM 16 CB ASN A 3 -2.525 -0.035 11.121 1.00 1.00 C ATOM 17 CG ASN A 3 -2.362 -0.977 12.315 1.00 1.00 C ATOM 18 OD1 ASN A 3 -2.636 -0.605 13.439 1.00 1.00 O ATOM 19 ND2 ASN A 3 -1.926 -2.191 12.119 1.00 1.00 N ATOM 0 H ASN A 3 -3.399 -2.283 11.479 1.00 1.00 H new ATOM 0 HA ASN A 3 -3.958 -0.146 9.476 1.00 1.00 H new ATOM 0 HB2 ASN A 3 -1.550 0.325 10.793 1.00 1.00 H new ATOM 0 HB3 ASN A 3 -3.107 0.840 11.411 1.00 1.00 H new ATOM 0 HD21 ASN A 3 -1.815 -2.827 12.909 1.00 1.00 H new ATOM 0 HD22 ASN A 3 -1.696 -2.504 11.176 1.00 1.00 H new ATOM 26 N GLN A 4 -2.096 -2.483 8.673 1.00 1.00 N ATOM 27 CA GLN A 4 -1.117 -2.963 7.656 1.00 1.00 C ATOM 28 C GLN A 4 -1.446 -2.375 6.281 1.00 1.00 C ATOM 29 O GLN A 4 -2.264 -2.896 5.549 1.00 1.00 O ATOM 30 CB GLN A 4 -1.284 -4.483 7.640 1.00 1.00 C ATOM 31 CG GLN A 4 -0.278 -5.119 8.601 1.00 1.00 C ATOM 32 CD GLN A 4 0.925 -5.640 7.812 1.00 1.00 C ATOM 33 OE1 GLN A 4 2.058 -5.421 8.195 1.00 1.00 O ATOM 34 NE2 GLN A 4 0.725 -6.324 6.720 1.00 1.00 N ATOM 0 H GLN A 4 -2.640 -3.214 9.132 1.00 1.00 H new ATOM 0 HA GLN A 4 -0.096 -2.663 7.892 1.00 1.00 H new ATOM 0 HB2 GLN A 4 -2.300 -4.751 7.931 1.00 1.00 H new ATOM 0 HB3 GLN A 4 -1.130 -4.865 6.631 1.00 1.00 H new ATOM 0 HG2 GLN A 4 0.048 -4.387 9.340 1.00 1.00 H new ATOM 0 HG3 GLN A 4 -0.749 -5.936 9.148 1.00 1.00 H new ATOM 0 HE21 GLN A 4 -0.226 -6.507 6.400 1.00 1.00 H new ATOM 0 HE22 GLN A 4 1.520 -6.676 6.186 1.00 1.00 H new ATOM 43 N ILE A 5 -0.812 -1.290 5.926 1.00 1.00 N ATOM 44 CA ILE A 5 -1.085 -0.664 4.601 1.00 1.00 C ATOM 45 C ILE A 5 0.162 -0.731 3.714 1.00 1.00 C ATOM 46 O ILE A 5 1.062 0.076 3.831 1.00 1.00 O ATOM 47 CB ILE A 5 -1.441 0.789 4.916 1.00 1.00 C ATOM 48 CG1 ILE A 5 -2.963 0.956 4.897 1.00 1.00 C ATOM 49 CG2 ILE A 5 -0.816 1.708 3.864 1.00 1.00 C ATOM 50 CD1 ILE A 5 -3.318 2.426 5.126 1.00 1.00 C ATOM 0 H ILE A 5 -0.116 -0.810 6.497 1.00 1.00 H new ATOM 0 HA ILE A 5 -1.884 -1.173 4.062 1.00 1.00 H new ATOM 0 HB ILE A 5 -1.057 1.051 5.902 1.00 1.00 H new ATOM 0 HG12 ILE A 5 -3.365 0.619 3.942 1.00 1.00 H new ATOM 0 HG13 ILE A 5 -3.417 0.336 5.670 1.00 1.00 H new ATOM 0 HG21 ILE A 5 -1.070 2.744 4.089 1.00 1.00 H new ATOM 0 HG22 ILE A 5 0.267 1.589 3.875 1.00 1.00 H new ATOM 0 HG23 ILE A 5 -1.200 1.446 2.878 1.00 1.00 H new ATOM 0 HD11 ILE A 5 -4.401 2.545 5.112 1.00 1.00 H new ATOM 0 HD12 ILE A 5 -2.930 2.748 6.092 1.00 1.00 H new ATOM 0 HD13 ILE A 5 -2.876 3.034 4.337 1.00 1.00 H new ATOM 62 N TYR A 6 0.219 -1.688 2.827 1.00 1.00 N ATOM 63 CA TYR A 6 1.408 -1.805 1.933 1.00 1.00 C ATOM 64 C TYR A 6 1.137 -1.098 0.601 1.00 1.00 C ATOM 65 O TYR A 6 0.004 -0.884 0.220 1.00 1.00 O ATOM 66 CB TYR A 6 1.592 -3.307 1.714 1.00 1.00 C ATOM 67 CG TYR A 6 1.902 -3.975 3.032 1.00 1.00 C ATOM 68 CD1 TYR A 6 2.645 -3.293 4.004 1.00 1.00 C ATOM 69 CD2 TYR A 6 1.447 -5.274 3.282 1.00 1.00 C ATOM 70 CE1 TYR A 6 2.932 -3.913 5.226 1.00 1.00 C ATOM 71 CE2 TYR A 6 1.733 -5.894 4.504 1.00 1.00 C ATOM 72 CZ TYR A 6 2.476 -5.213 5.476 1.00 1.00 C ATOM 73 OH TYR A 6 2.759 -5.824 6.681 1.00 1.00 O ATOM 0 H TYR A 6 -0.504 -2.392 2.683 1.00 1.00 H new ATOM 0 HA TYR A 6 2.297 -1.344 2.364 1.00 1.00 H new ATOM 0 HB2 TYR A 6 0.688 -3.735 1.281 1.00 1.00 H new ATOM 0 HB3 TYR A 6 2.400 -3.485 1.005 1.00 1.00 H new ATOM 0 HD1 TYR A 6 2.996 -2.290 3.811 1.00 1.00 H new ATOM 0 HD2 TYR A 6 0.875 -5.799 2.532 1.00 1.00 H new ATOM 0 HE1 TYR A 6 3.505 -3.388 5.976 1.00 1.00 H new ATOM 0 HE2 TYR A 6 1.381 -6.897 4.697 1.00 1.00 H new ATOM 0 HH TYR A 6 2.738 -5.157 7.399 1.00 1.00 H new ATOM 83 N SER A 7 2.170 -0.734 -0.109 1.00 1.00 N ATOM 84 CA SER A 7 1.970 -0.040 -1.413 1.00 1.00 C ATOM 85 C SER A 7 2.344 -0.971 -2.571 1.00 1.00 C ATOM 86 O SER A 7 3.271 -1.751 -2.477 1.00 1.00 O ATOM 87 CB SER A 7 2.908 1.165 -1.370 1.00 1.00 C ATOM 88 OG SER A 7 3.737 1.155 -2.525 1.00 1.00 O ATOM 0 H SER A 7 3.143 -0.887 0.157 1.00 1.00 H new ATOM 0 HA SER A 7 0.933 0.257 -1.567 1.00 1.00 H new ATOM 0 HB2 SER A 7 2.331 2.089 -1.330 1.00 1.00 H new ATOM 0 HB3 SER A 7 3.520 1.132 -0.469 1.00 1.00 H new ATOM 0 HG SER A 7 4.339 1.928 -2.502 1.00 1.00 H new ATOM 94 N ALA A 8 1.631 -0.893 -3.660 1.00 1.00 N ATOM 95 CA ALA A 8 1.946 -1.774 -4.822 1.00 1.00 C ATOM 96 C ALA A 8 1.585 -1.070 -6.133 1.00 1.00 C ATOM 97 O ALA A 8 0.774 -0.164 -6.159 1.00 1.00 O ATOM 98 CB ALA A 8 1.080 -3.017 -4.624 1.00 1.00 C ATOM 0 H ALA A 8 0.844 -0.258 -3.797 1.00 1.00 H new ATOM 0 HA ALA A 8 3.006 -2.022 -4.877 1.00 1.00 H new ATOM 0 HB1 ALA A 8 1.255 -3.716 -5.441 1.00 1.00 H new ATOM 0 HB2 ALA A 8 1.338 -3.493 -3.678 1.00 1.00 H new ATOM 0 HB3 ALA A 8 0.029 -2.730 -4.611 1.00 1.00 H new ATOM 104 N ARG A 9 2.180 -1.477 -7.221 1.00 1.00 N ATOM 105 CA ARG A 9 1.868 -0.829 -8.528 1.00 1.00 C ATOM 106 C ARG A 9 1.606 -1.894 -9.597 1.00 1.00 C ATOM 107 O ARG A 9 2.467 -2.688 -9.921 1.00 1.00 O ATOM 108 CB ARG A 9 3.118 -0.018 -8.874 1.00 1.00 C ATOM 109 CG ARG A 9 3.750 -0.573 -10.152 1.00 1.00 C ATOM 110 CD ARG A 9 3.818 0.531 -11.209 1.00 1.00 C ATOM 111 NE ARG A 9 4.993 0.181 -12.055 1.00 1.00 N ATOM 112 CZ ARG A 9 5.244 0.867 -13.136 1.00 1.00 C ATOM 113 NH1 ARG A 9 4.468 1.860 -13.476 1.00 1.00 N ATOM 114 NH2 ARG A 9 6.274 0.560 -13.879 1.00 1.00 N ATOM 0 H ARG A 9 2.868 -2.229 -7.262 1.00 1.00 H new ATOM 0 HA ARG A 9 0.976 -0.204 -8.478 1.00 1.00 H new ATOM 0 HB2 ARG A 9 2.857 1.031 -9.011 1.00 1.00 H new ATOM 0 HB3 ARG A 9 3.833 -0.064 -8.053 1.00 1.00 H new ATOM 0 HG2 ARG A 9 4.750 -0.951 -9.941 1.00 1.00 H new ATOM 0 HG3 ARG A 9 3.164 -1.413 -10.525 1.00 1.00 H new ATOM 0 HD2 ARG A 9 2.903 0.569 -11.800 1.00 1.00 H new ATOM 0 HD3 ARG A 9 3.941 1.511 -10.749 1.00 1.00 H new ATOM 0 HE ARG A 9 5.601 -0.594 -11.789 1.00 1.00 H new ATOM 0 HH11 ARG A 9 3.664 2.101 -12.896 1.00 1.00 H new ATOM 0 HH12 ARG A 9 4.666 2.395 -14.321 1.00 1.00 H new ATOM 0 HH21 ARG A 9 6.881 -0.216 -13.614 1.00 1.00 H new ATOM 0 HH22 ARG A 9 6.471 1.096 -14.724 1.00 1.00 H new ATOM 127 N TYR A 10 0.422 -1.917 -10.146 1.00 1.00 N ATOM 128 CA TYR A 10 0.106 -2.932 -11.193 1.00 1.00 C ATOM 129 C TYR A 10 -0.822 -2.332 -12.253 1.00 1.00 C ATOM 130 O TYR A 10 -1.468 -1.327 -12.030 1.00 1.00 O ATOM 131 CB TYR A 10 -0.597 -4.065 -10.445 1.00 1.00 C ATOM 132 CG TYR A 10 0.409 -4.816 -9.606 1.00 1.00 C ATOM 133 CD1 TYR A 10 1.528 -5.400 -10.210 1.00 1.00 C ATOM 134 CD2 TYR A 10 0.221 -4.929 -8.224 1.00 1.00 C ATOM 135 CE1 TYR A 10 2.461 -6.096 -9.432 1.00 1.00 C ATOM 136 CE2 TYR A 10 1.153 -5.626 -7.445 1.00 1.00 C ATOM 137 CZ TYR A 10 2.273 -6.209 -8.049 1.00 1.00 C ATOM 138 OH TYR A 10 3.192 -6.896 -7.283 1.00 1.00 O ATOM 0 H TYR A 10 -0.339 -1.278 -9.916 1.00 1.00 H new ATOM 0 HA TYR A 10 0.999 -3.278 -11.714 1.00 1.00 H new ATOM 0 HB2 TYR A 10 -1.386 -3.661 -9.811 1.00 1.00 H new ATOM 0 HB3 TYR A 10 -1.073 -4.742 -11.154 1.00 1.00 H new ATOM 0 HD1 TYR A 10 1.672 -5.314 -11.277 1.00 1.00 H new ATOM 0 HD2 TYR A 10 -0.643 -4.479 -7.758 1.00 1.00 H new ATOM 0 HE1 TYR A 10 3.325 -6.545 -9.898 1.00 1.00 H new ATOM 0 HE2 TYR A 10 1.008 -5.714 -6.378 1.00 1.00 H new ATOM 0 HH TYR A 10 2.913 -6.879 -6.344 1.00 1.00 H new ATOM 148 N SER A 11 -0.896 -2.943 -13.404 1.00 1.00 N ATOM 149 CA SER A 11 -1.783 -2.412 -14.478 1.00 1.00 C ATOM 150 C SER A 11 -1.421 -0.959 -14.801 1.00 1.00 C ATOM 151 O SER A 11 -2.266 -0.167 -15.168 1.00 1.00 O ATOM 152 CB SER A 11 -3.195 -2.496 -13.902 1.00 1.00 C ATOM 153 OG SER A 11 -3.763 -1.194 -13.858 1.00 1.00 O ATOM 0 H SER A 11 -0.380 -3.788 -13.647 1.00 1.00 H new ATOM 0 HA SER A 11 -1.685 -2.975 -15.406 1.00 1.00 H new ATOM 0 HB2 SER A 11 -3.812 -3.154 -14.515 1.00 1.00 H new ATOM 0 HB3 SER A 11 -3.167 -2.927 -12.901 1.00 1.00 H new ATOM 0 HG SER A 11 -3.692 -0.776 -14.742 1.00 1.00 H new ATOM 159 N GLY A 12 -0.173 -0.603 -14.668 1.00 1.00 N ATOM 160 CA GLY A 12 0.239 0.798 -14.970 1.00 1.00 C ATOM 161 C GLY A 12 -0.274 1.731 -13.874 1.00 1.00 C ATOM 162 O GLY A 12 0.036 2.905 -13.849 1.00 1.00 O ATOM 0 H GLY A 12 0.579 -1.221 -14.363 1.00 1.00 H new ATOM 0 HA2 GLY A 12 1.325 0.862 -15.037 1.00 1.00 H new ATOM 0 HA3 GLY A 12 -0.159 1.104 -15.938 1.00 1.00 H new ATOM 166 N VAL A 13 -1.057 1.219 -12.964 1.00 1.00 N ATOM 167 CA VAL A 13 -1.588 2.080 -11.868 1.00 1.00 C ATOM 168 C VAL A 13 -1.273 1.454 -10.506 1.00 1.00 C ATOM 169 O VAL A 13 -1.439 0.268 -10.306 1.00 1.00 O ATOM 170 CB VAL A 13 -3.098 2.128 -12.100 1.00 1.00 C ATOM 171 CG1 VAL A 13 -3.584 3.575 -12.006 1.00 1.00 C ATOM 172 CG2 VAL A 13 -3.418 1.573 -13.489 1.00 1.00 C ATOM 0 H VAL A 13 -1.352 0.243 -12.932 1.00 1.00 H new ATOM 0 HA VAL A 13 -1.144 3.075 -11.871 1.00 1.00 H new ATOM 0 HB VAL A 13 -3.600 1.526 -11.343 1.00 1.00 H new ATOM 0 HG11 VAL A 13 -4.661 3.609 -12.172 1.00 1.00 H new ATOM 0 HG12 VAL A 13 -3.356 3.972 -11.017 1.00 1.00 H new ATOM 0 HG13 VAL A 13 -3.082 4.177 -12.763 1.00 1.00 H new ATOM 0 HG21 VAL A 13 -4.495 1.607 -13.655 1.00 1.00 H new ATOM 0 HG22 VAL A 13 -2.915 2.175 -14.246 1.00 1.00 H new ATOM 0 HG23 VAL A 13 -3.073 0.541 -13.557 1.00 1.00 H new ATOM 182 N ASP A 14 -0.817 2.242 -9.572 1.00 1.00 N ATOM 183 CA ASP A 14 -0.488 1.687 -8.227 1.00 1.00 C ATOM 184 C ASP A 14 -1.759 1.551 -7.384 1.00 1.00 C ATOM 185 O ASP A 14 -2.742 2.227 -7.610 1.00 1.00 O ATOM 186 CB ASP A 14 0.464 2.707 -7.601 1.00 1.00 C ATOM 187 CG ASP A 14 0.517 2.493 -6.087 1.00 1.00 C ATOM 188 OD1 ASP A 14 -0.451 1.985 -5.546 1.00 1.00 O ATOM 189 OD2 ASP A 14 1.525 2.842 -5.494 1.00 1.00 O ATOM 0 H ASP A 14 -0.658 3.244 -9.680 1.00 1.00 H new ATOM 0 HA ASP A 14 -0.041 0.695 -8.288 1.00 1.00 H new ATOM 0 HB2 ASP A 14 1.461 2.601 -8.029 1.00 1.00 H new ATOM 0 HB3 ASP A 14 0.127 3.719 -7.824 1.00 1.00 H new ATOM 194 N VAL A 15 -1.743 0.680 -6.413 1.00 1.00 N ATOM 195 CA VAL A 15 -2.947 0.495 -5.554 1.00 1.00 C ATOM 196 C VAL A 15 -2.523 0.205 -4.111 1.00 1.00 C ATOM 197 O VAL A 15 -1.351 0.111 -3.808 1.00 1.00 O ATOM 198 CB VAL A 15 -3.679 -0.707 -6.150 1.00 1.00 C ATOM 199 CG1 VAL A 15 -3.932 -0.465 -7.638 1.00 1.00 C ATOM 200 CG2 VAL A 15 -2.819 -1.963 -5.977 1.00 1.00 C ATOM 0 H VAL A 15 -0.947 0.087 -6.177 1.00 1.00 H new ATOM 0 HA VAL A 15 -3.578 1.383 -5.529 1.00 1.00 H new ATOM 0 HB VAL A 15 -4.631 -0.843 -5.638 1.00 1.00 H new ATOM 0 HG11 VAL A 15 -4.454 -1.323 -8.062 1.00 1.00 H new ATOM 0 HG12 VAL A 15 -4.542 0.429 -7.763 1.00 1.00 H new ATOM 0 HG13 VAL A 15 -2.980 -0.329 -8.152 1.00 1.00 H new ATOM 0 HG21 VAL A 15 -3.339 -2.822 -6.401 1.00 1.00 H new ATOM 0 HG22 VAL A 15 -1.867 -1.826 -6.490 1.00 1.00 H new ATOM 0 HG23 VAL A 15 -2.638 -2.137 -4.916 1.00 1.00 H new ATOM 210 N TYR A 16 -3.465 0.059 -3.222 1.00 1.00 N ATOM 211 CA TYR A 16 -3.112 -0.230 -1.803 1.00 1.00 C ATOM 212 C TYR A 16 -3.474 -1.678 -1.461 1.00 1.00 C ATOM 213 O TYR A 16 -4.524 -2.165 -1.824 1.00 1.00 O ATOM 214 CB TYR A 16 -3.954 0.744 -0.977 1.00 1.00 C ATOM 215 CG TYR A 16 -3.646 2.160 -1.401 1.00 1.00 C ATOM 216 CD1 TYR A 16 -4.324 2.730 -2.485 1.00 1.00 C ATOM 217 CD2 TYR A 16 -2.683 2.905 -0.708 1.00 1.00 C ATOM 218 CE1 TYR A 16 -4.039 4.043 -2.878 1.00 1.00 C ATOM 219 CE2 TYR A 16 -2.399 4.218 -1.100 1.00 1.00 C ATOM 220 CZ TYR A 16 -3.076 4.787 -2.186 1.00 1.00 C ATOM 221 OH TYR A 16 -2.795 6.082 -2.572 1.00 1.00 O ATOM 0 H TYR A 16 -4.464 0.127 -3.416 1.00 1.00 H new ATOM 0 HA TYR A 16 -2.047 -0.110 -1.607 1.00 1.00 H new ATOM 0 HB2 TYR A 16 -5.014 0.534 -1.117 1.00 1.00 H new ATOM 0 HB3 TYR A 16 -3.741 0.616 0.084 1.00 1.00 H new ATOM 0 HD1 TYR A 16 -5.067 2.156 -3.018 1.00 1.00 H new ATOM 0 HD2 TYR A 16 -2.160 2.466 0.129 1.00 1.00 H new ATOM 0 HE1 TYR A 16 -4.562 4.482 -3.715 1.00 1.00 H new ATOM 0 HE2 TYR A 16 -1.658 4.793 -0.565 1.00 1.00 H new ATOM 0 HH TYR A 16 -2.104 6.455 -1.986 1.00 1.00 H new ATOM 231 N GLU A 17 -2.614 -2.369 -0.767 1.00 1.00 N ATOM 232 CA GLU A 17 -2.916 -3.785 -0.411 1.00 1.00 C ATOM 233 C GLU A 17 -2.936 -3.958 1.110 1.00 1.00 C ATOM 234 O GLU A 17 -1.908 -4.007 1.754 1.00 1.00 O ATOM 235 CB GLU A 17 -1.781 -4.602 -1.027 1.00 1.00 C ATOM 236 CG GLU A 17 -0.725 -3.657 -1.602 1.00 1.00 C ATOM 237 CD GLU A 17 0.198 -4.433 -2.543 1.00 1.00 C ATOM 238 OE1 GLU A 17 -0.281 -4.891 -3.567 1.00 1.00 O ATOM 239 OE2 GLU A 17 1.370 -4.556 -2.223 1.00 1.00 O ATOM 0 H GLU A 17 -1.717 -2.017 -0.431 1.00 1.00 H new ATOM 0 HA GLU A 17 -3.892 -4.101 -0.779 1.00 1.00 H new ATOM 0 HB2 GLU A 17 -1.333 -5.249 -0.272 1.00 1.00 H new ATOM 0 HB3 GLU A 17 -2.170 -5.250 -1.812 1.00 1.00 H new ATOM 0 HG2 GLU A 17 -1.207 -2.841 -2.140 1.00 1.00 H new ATOM 0 HG3 GLU A 17 -0.145 -3.209 -0.795 1.00 1.00 H new ATOM 246 N PHE A 18 -4.103 -4.051 1.685 1.00 1.00 N ATOM 247 CA PHE A 18 -4.196 -4.223 3.163 1.00 1.00 C ATOM 248 C PHE A 18 -5.078 -5.430 3.493 1.00 1.00 C ATOM 249 O PHE A 18 -6.038 -5.715 2.806 1.00 1.00 O ATOM 250 CB PHE A 18 -4.839 -2.932 3.670 1.00 1.00 C ATOM 251 CG PHE A 18 -4.512 -2.746 5.133 1.00 1.00 C ATOM 252 CD1 PHE A 18 -4.607 -3.829 6.015 1.00 1.00 C ATOM 253 CD2 PHE A 18 -4.115 -1.490 5.606 1.00 1.00 C ATOM 254 CE1 PHE A 18 -4.305 -3.655 7.371 1.00 1.00 C ATOM 255 CE2 PHE A 18 -3.813 -1.316 6.962 1.00 1.00 C ATOM 256 CZ PHE A 18 -3.908 -2.400 7.844 1.00 1.00 C ATOM 0 H PHE A 18 -4.997 -4.015 1.195 1.00 1.00 H new ATOM 0 HA PHE A 18 -3.225 -4.401 3.625 1.00 1.00 H new ATOM 0 HB2 PHE A 18 -4.475 -2.081 3.094 1.00 1.00 H new ATOM 0 HB3 PHE A 18 -5.919 -2.972 3.530 1.00 1.00 H new ATOM 0 HD1 PHE A 18 -4.913 -4.798 5.650 1.00 1.00 H new ATOM 0 HD2 PHE A 18 -4.042 -0.655 4.925 1.00 1.00 H new ATOM 0 HE1 PHE A 18 -4.379 -4.490 8.052 1.00 1.00 H new ATOM 0 HE2 PHE A 18 -3.507 -0.347 7.328 1.00 1.00 H new ATOM 0 HZ PHE A 18 -3.675 -2.267 8.890 1.00 1.00 H new ATOM 266 N ILE A 19 -4.763 -6.140 4.541 1.00 1.00 N ATOM 267 CA ILE A 19 -5.589 -7.325 4.911 1.00 1.00 C ATOM 268 C ILE A 19 -6.853 -6.874 5.642 1.00 1.00 C ATOM 269 O ILE A 19 -6.804 -6.062 6.546 1.00 1.00 O ATOM 270 CB ILE A 19 -4.699 -8.156 5.836 1.00 1.00 C ATOM 271 CG1 ILE A 19 -3.245 -8.059 5.365 1.00 1.00 C ATOM 272 CG2 ILE A 19 -5.149 -9.618 5.800 1.00 1.00 C ATOM 273 CD1 ILE A 19 -2.949 -9.194 4.383 1.00 1.00 C ATOM 0 H ILE A 19 -3.971 -5.952 5.156 1.00 1.00 H new ATOM 0 HA ILE A 19 -5.911 -7.895 4.040 1.00 1.00 H new ATOM 0 HB ILE A 19 -4.779 -7.776 6.855 1.00 1.00 H new ATOM 0 HG12 ILE A 19 -3.070 -7.095 4.887 1.00 1.00 H new ATOM 0 HG13 ILE A 19 -2.570 -8.118 6.219 1.00 1.00 H new ATOM 0 HG21 ILE A 19 -4.515 -10.210 6.459 1.00 1.00 H new ATOM 0 HG22 ILE A 19 -6.184 -9.688 6.133 1.00 1.00 H new ATOM 0 HG23 ILE A 19 -5.069 -9.998 4.782 1.00 1.00 H new ATOM 0 HD11 ILE A 19 -1.914 -9.125 4.048 1.00 1.00 H new ATOM 0 HD12 ILE A 19 -3.107 -10.153 4.877 1.00 1.00 H new ATOM 0 HD13 ILE A 19 -3.615 -9.114 3.524 1.00 1.00 H new ATOM 285 N HIS A 20 -7.986 -7.396 5.262 1.00 1.00 N ATOM 286 CA HIS A 20 -9.254 -6.998 5.940 1.00 1.00 C ATOM 287 C HIS A 20 -10.253 -8.156 5.895 1.00 1.00 C ATOM 288 O HIS A 20 -9.899 -9.300 6.097 1.00 1.00 O ATOM 289 CB HIS A 20 -9.776 -5.807 5.135 1.00 1.00 C ATOM 290 CG HIS A 20 -9.169 -4.538 5.667 1.00 1.00 C ATOM 291 ND1 HIS A 20 -7.861 -4.173 5.392 1.00 1.00 N ATOM 292 CD2 HIS A 20 -9.679 -3.537 6.457 1.00 1.00 C ATOM 293 CE1 HIS A 20 -7.629 -2.998 6.008 1.00 1.00 C ATOM 294 NE2 HIS A 20 -8.704 -2.567 6.671 1.00 1.00 N ATOM 0 H HIS A 20 -8.090 -8.080 4.513 1.00 1.00 H new ATOM 0 HA HIS A 20 -9.104 -6.744 6.989 1.00 1.00 H new ATOM 0 HB2 HIS A 20 -9.525 -5.929 4.081 1.00 1.00 H new ATOM 0 HB3 HIS A 20 -10.863 -5.758 5.201 1.00 1.00 H new ATOM 0 HD2 HIS A 20 -10.684 -3.507 6.852 1.00 1.00 H new ATOM 0 HE1 HIS A 20 -6.688 -2.469 5.970 1.00 1.00 H new ATOM 0 HE2 HIS A 20 -8.792 -1.710 7.217 1.00 1.00 H new ATOM 302 N SER A 21 -11.496 -7.872 5.621 1.00 1.00 N ATOM 303 CA SER A 21 -12.507 -8.963 5.554 1.00 1.00 C ATOM 304 C SER A 21 -12.147 -9.923 4.418 1.00 1.00 C ATOM 305 O SER A 21 -12.254 -11.126 4.547 1.00 1.00 O ATOM 306 CB SER A 21 -13.833 -8.261 5.268 1.00 1.00 C ATOM 307 OG SER A 21 -14.736 -8.509 6.337 1.00 1.00 O ATOM 0 H SER A 21 -11.854 -6.934 5.441 1.00 1.00 H new ATOM 0 HA SER A 21 -12.555 -9.549 6.472 1.00 1.00 H new ATOM 0 HB2 SER A 21 -13.673 -7.189 5.153 1.00 1.00 H new ATOM 0 HB3 SER A 21 -14.254 -8.622 4.330 1.00 1.00 H new ATOM 0 HG SER A 21 -14.876 -9.475 6.430 1.00 1.00 H new ATOM 313 N THR A 22 -11.703 -9.394 3.311 1.00 1.00 N ATOM 314 CA THR A 22 -11.311 -10.264 2.169 1.00 1.00 C ATOM 315 C THR A 22 -9.803 -10.501 2.209 1.00 1.00 C ATOM 316 O THR A 22 -9.220 -11.044 1.291 1.00 1.00 O ATOM 317 CB THR A 22 -11.702 -9.480 0.915 1.00 1.00 C ATOM 318 OG1 THR A 22 -13.103 -9.589 0.708 1.00 1.00 O ATOM 319 CG2 THR A 22 -10.960 -10.045 -0.296 1.00 1.00 C ATOM 0 H THR A 22 -11.595 -8.393 3.149 1.00 1.00 H new ATOM 0 HA THR A 22 -11.796 -11.240 2.196 1.00 1.00 H new ATOM 0 HB THR A 22 -11.434 -8.431 1.044 1.00 1.00 H new ATOM 0 HG1 THR A 22 -13.514 -8.702 0.777 1.00 1.00 H new ATOM 0 HG21 THR A 22 -11.240 -9.485 -1.188 1.00 1.00 H new ATOM 0 HG22 THR A 22 -9.885 -9.960 -0.137 1.00 1.00 H new ATOM 0 HG23 THR A 22 -11.225 -11.094 -0.428 1.00 1.00 H new ATOM 327 N GLY A 23 -9.164 -10.079 3.266 1.00 1.00 N ATOM 328 CA GLY A 23 -7.690 -10.256 3.370 1.00 1.00 C ATOM 329 C GLY A 23 -7.001 -8.999 2.838 1.00 1.00 C ATOM 330 O GLY A 23 -7.200 -7.912 3.344 1.00 1.00 O ATOM 0 H GLY A 23 -9.602 -9.618 4.064 1.00 1.00 H new ATOM 0 HA2 GLY A 23 -7.404 -10.432 4.407 1.00 1.00 H new ATOM 0 HA3 GLY A 23 -7.374 -11.129 2.799 1.00 1.00 H new ATOM 334 N SER A 24 -6.203 -9.134 1.818 1.00 1.00 N ATOM 335 CA SER A 24 -5.508 -7.944 1.251 1.00 1.00 C ATOM 336 C SER A 24 -6.480 -7.119 0.406 1.00 1.00 C ATOM 337 O SER A 24 -7.218 -7.646 -0.402 1.00 1.00 O ATOM 338 CB SER A 24 -4.390 -8.513 0.379 1.00 1.00 C ATOM 339 OG SER A 24 -3.642 -9.458 1.133 1.00 1.00 O ATOM 0 H SER A 24 -6.001 -10.018 1.351 1.00 1.00 H new ATOM 0 HA SER A 24 -5.121 -7.284 2.027 1.00 1.00 H new ATOM 0 HB2 SER A 24 -4.810 -8.988 -0.507 1.00 1.00 H new ATOM 0 HB3 SER A 24 -3.739 -7.710 0.032 1.00 1.00 H new ATOM 0 HG SER A 24 -2.925 -9.827 0.576 1.00 1.00 H new ATOM 345 N ILE A 25 -6.486 -5.828 0.587 1.00 1.00 N ATOM 346 CA ILE A 25 -7.411 -4.969 -0.204 1.00 1.00 C ATOM 347 C ILE A 25 -6.613 -4.047 -1.129 1.00 1.00 C ATOM 348 O ILE A 25 -5.707 -3.359 -0.705 1.00 1.00 O ATOM 349 CB ILE A 25 -8.180 -4.153 0.835 1.00 1.00 C ATOM 350 CG1 ILE A 25 -8.840 -5.100 1.839 1.00 1.00 C ATOM 351 CG2 ILE A 25 -9.257 -3.321 0.136 1.00 1.00 C ATOM 352 CD1 ILE A 25 -8.151 -4.966 3.198 1.00 1.00 C ATOM 0 H ILE A 25 -5.890 -5.330 1.249 1.00 1.00 H new ATOM 0 HA ILE A 25 -8.079 -5.553 -0.837 1.00 1.00 H new ATOM 0 HB ILE A 25 -7.491 -3.490 1.358 1.00 1.00 H new ATOM 0 HG12 ILE A 25 -9.900 -4.866 1.933 1.00 1.00 H new ATOM 0 HG13 ILE A 25 -8.771 -6.128 1.484 1.00 1.00 H new ATOM 0 HG21 ILE A 25 -9.805 -2.739 0.877 1.00 1.00 H new ATOM 0 HG22 ILE A 25 -8.788 -2.647 -0.580 1.00 1.00 H new ATOM 0 HG23 ILE A 25 -9.946 -3.984 -0.387 1.00 1.00 H new ATOM 0 HD11 ILE A 25 -8.622 -5.641 3.913 1.00 1.00 H new ATOM 0 HD12 ILE A 25 -7.096 -5.222 3.098 1.00 1.00 H new ATOM 0 HD13 ILE A 25 -8.243 -3.940 3.553 1.00 1.00 H new ATOM 364 N MET A 26 -6.940 -4.035 -2.392 1.00 1.00 N ATOM 365 CA MET A 26 -6.195 -3.163 -3.346 1.00 1.00 C ATOM 366 C MET A 26 -7.006 -1.901 -3.650 1.00 1.00 C ATOM 367 O MET A 26 -8.165 -1.796 -3.298 1.00 1.00 O ATOM 368 CB MET A 26 -6.028 -4.010 -4.609 1.00 1.00 C ATOM 369 CG MET A 26 -5.116 -3.279 -5.596 1.00 1.00 C ATOM 370 SD MET A 26 -4.154 -4.490 -6.537 1.00 1.00 S ATOM 371 CE MET A 26 -3.986 -3.516 -8.053 1.00 1.00 C ATOM 0 H MET A 26 -7.690 -4.590 -2.805 1.00 1.00 H new ATOM 0 HA MET A 26 -5.236 -2.836 -2.945 1.00 1.00 H new ATOM 0 HB2 MET A 26 -5.603 -4.981 -4.355 1.00 1.00 H new ATOM 0 HB3 MET A 26 -7.000 -4.197 -5.065 1.00 1.00 H new ATOM 0 HG2 MET A 26 -5.711 -2.666 -6.273 1.00 1.00 H new ATOM 0 HG3 MET A 26 -4.448 -2.605 -5.060 1.00 1.00 H new ATOM 0 HE1 MET A 26 -3.590 -4.147 -8.849 1.00 1.00 H new ATOM 0 HE2 MET A 26 -4.962 -3.130 -8.348 1.00 1.00 H new ATOM 0 HE3 MET A 26 -3.305 -2.683 -7.877 1.00 1.00 H new ATOM 381 N LYS A 27 -6.405 -0.941 -4.298 1.00 1.00 N ATOM 382 CA LYS A 27 -7.141 0.315 -4.621 1.00 1.00 C ATOM 383 C LYS A 27 -6.597 0.933 -5.912 1.00 1.00 C ATOM 384 O LYS A 27 -5.429 0.816 -6.224 1.00 1.00 O ATOM 385 CB LYS A 27 -6.882 1.242 -3.433 1.00 1.00 C ATOM 386 CG LYS A 27 -8.067 1.181 -2.469 1.00 1.00 C ATOM 387 CD LYS A 27 -7.606 1.584 -1.067 1.00 1.00 C ATOM 388 CE LYS A 27 -6.896 0.402 -0.403 1.00 1.00 C ATOM 389 NZ LYS A 27 -6.391 -0.427 -1.533 1.00 1.00 N ATOM 0 H LYS A 27 -5.437 -0.972 -4.618 1.00 1.00 H new ATOM 0 HA LYS A 27 -8.205 0.140 -4.778 1.00 1.00 H new ATOM 0 HB2 LYS A 27 -5.967 0.946 -2.920 1.00 1.00 H new ATOM 0 HB3 LYS A 27 -6.735 2.264 -3.781 1.00 1.00 H new ATOM 0 HG2 LYS A 27 -8.860 1.848 -2.808 1.00 1.00 H new ATOM 0 HG3 LYS A 27 -8.483 0.174 -2.451 1.00 1.00 H new ATOM 0 HD2 LYS A 27 -6.933 2.439 -1.126 1.00 1.00 H new ATOM 0 HD3 LYS A 27 -8.462 1.892 -0.466 1.00 1.00 H new ATOM 0 HE2 LYS A 27 -6.079 0.740 0.235 1.00 1.00 H new ATOM 0 HE3 LYS A 27 -7.580 -0.165 0.228 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 -5.792 -1.192 -1.162 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 -7.195 -0.837 -2.049 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 -5.833 0.168 -2.178 1.00 1.00 H new ATOM 402 N ARG A 28 -7.436 1.594 -6.664 1.00 1.00 N ATOM 403 CA ARG A 28 -6.965 2.222 -7.931 1.00 1.00 C ATOM 404 C ARG A 28 -6.277 3.558 -7.632 1.00 1.00 C ATOM 405 O ARG A 28 -6.846 4.434 -7.014 1.00 1.00 O ATOM 406 CB ARG A 28 -8.230 2.443 -8.761 1.00 1.00 C ATOM 407 CG ARG A 28 -7.883 2.377 -10.249 1.00 1.00 C ATOM 408 CD ARG A 28 -8.465 1.097 -10.853 1.00 1.00 C ATOM 409 NE ARG A 28 -9.462 1.566 -11.856 1.00 1.00 N ATOM 410 CZ ARG A 28 -10.364 0.740 -12.314 1.00 1.00 C ATOM 411 NH1 ARG A 28 -10.392 -0.495 -11.893 1.00 1.00 N ATOM 412 NH2 ARG A 28 -11.238 1.150 -13.193 1.00 1.00 N ATOM 0 H ARG A 28 -8.426 1.726 -6.456 1.00 1.00 H new ATOM 0 HA ARG A 28 -6.240 1.600 -8.456 1.00 1.00 H new ATOM 0 HB2 ARG A 28 -8.975 1.686 -8.517 1.00 1.00 H new ATOM 0 HB3 ARG A 28 -8.670 3.411 -8.522 1.00 1.00 H new ATOM 0 HG2 ARG A 28 -8.283 3.250 -10.765 1.00 1.00 H new ATOM 0 HG3 ARG A 28 -6.801 2.395 -10.382 1.00 1.00 H new ATOM 0 HD2 ARG A 28 -7.688 0.492 -11.321 1.00 1.00 H new ATOM 0 HD3 ARG A 28 -8.935 0.477 -10.089 1.00 1.00 H new ATOM 0 HE ARG A 28 -9.440 2.531 -12.185 1.00 1.00 H new ATOM 0 HH11 ARG A 28 -9.709 -0.815 -11.206 1.00 1.00 H new ATOM 0 HH12 ARG A 28 -11.097 -1.140 -12.251 1.00 1.00 H new ATOM 0 HH21 ARG A 28 -11.216 2.115 -13.522 1.00 1.00 H new ATOM 0 HH22 ARG A 28 -11.943 0.505 -13.551 1.00 1.00 H new ATOM 425 N LYS A 29 -5.057 3.716 -8.065 1.00 1.00 N ATOM 426 CA LYS A 29 -4.332 4.993 -7.803 1.00 1.00 C ATOM 427 C LYS A 29 -5.056 6.164 -8.469 1.00 1.00 C ATOM 428 O LYS A 29 -5.185 7.231 -7.903 1.00 1.00 O ATOM 429 CB LYS A 29 -2.951 4.795 -8.423 1.00 1.00 C ATOM 430 CG LYS A 29 -2.171 6.109 -8.363 1.00 1.00 C ATOM 431 CD LYS A 29 -0.732 5.870 -8.822 1.00 1.00 C ATOM 432 CE LYS A 29 -0.161 7.163 -9.411 1.00 1.00 C ATOM 433 NZ LYS A 29 -0.798 8.257 -8.626 1.00 1.00 N ATOM 0 H LYS A 29 -4.530 3.017 -8.589 1.00 1.00 H new ATOM 0 HA LYS A 29 -4.275 5.223 -6.739 1.00 1.00 H new ATOM 0 HB2 LYS A 29 -2.410 4.014 -7.889 1.00 1.00 H new ATOM 0 HB3 LYS A 29 -3.049 4.465 -9.457 1.00 1.00 H new ATOM 0 HG2 LYS A 29 -2.647 6.856 -8.998 1.00 1.00 H new ATOM 0 HG3 LYS A 29 -2.179 6.503 -7.347 1.00 1.00 H new ATOM 0 HD2 LYS A 29 -0.121 5.540 -7.982 1.00 1.00 H new ATOM 0 HD3 LYS A 29 -0.704 5.075 -9.567 1.00 1.00 H new ATOM 0 HE2 LYS A 29 0.925 7.192 -9.320 1.00 1.00 H new ATOM 0 HE3 LYS A 29 -0.395 7.251 -10.472 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 -0.167 9.083 -8.607 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 -1.701 8.521 -9.068 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 -0.971 7.931 -7.654 1.00 1.00 H new ATOM 446 N LYS A 30 -5.528 5.974 -9.671 1.00 1.00 N ATOM 447 CA LYS A 30 -6.243 7.079 -10.374 1.00 1.00 C ATOM 448 C LYS A 30 -7.293 7.700 -9.450 1.00 1.00 C ATOM 449 O LYS A 30 -7.231 8.868 -9.120 1.00 1.00 O ATOM 450 CB LYS A 30 -6.911 6.416 -11.577 1.00 1.00 C ATOM 451 CG LYS A 30 -5.841 5.796 -12.478 1.00 1.00 C ATOM 452 CD LYS A 30 -4.757 6.836 -12.774 1.00 1.00 C ATOM 453 CE LYS A 30 -5.393 8.060 -13.438 1.00 1.00 C ATOM 454 NZ LYS A 30 -6.290 7.504 -14.489 1.00 1.00 N ATOM 0 H LYS A 30 -5.450 5.103 -10.196 1.00 1.00 H new ATOM 0 HA LYS A 30 -5.570 7.882 -10.674 1.00 1.00 H new ATOM 0 HB2 LYS A 30 -7.608 5.648 -11.242 1.00 1.00 H new ATOM 0 HB3 LYS A 30 -7.490 7.151 -12.136 1.00 1.00 H new ATOM 0 HG2 LYS A 30 -5.401 4.925 -11.992 1.00 1.00 H new ATOM 0 HG3 LYS A 30 -6.290 5.449 -13.408 1.00 1.00 H new ATOM 0 HD2 LYS A 30 -4.257 7.128 -11.851 1.00 1.00 H new ATOM 0 HD3 LYS A 30 -3.996 6.409 -13.427 1.00 1.00 H new ATOM 0 HE2 LYS A 30 -5.952 8.655 -12.716 1.00 1.00 H new ATOM 0 HE3 LYS A 30 -4.635 8.713 -13.871 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 -6.427 8.212 -15.239 1.00 1.00 H new ATOM 0 HZ2 LYS A 30 -5.860 6.648 -14.895 1.00 1.00 H new ATOM 0 HZ3 LYS A 30 -7.210 7.263 -14.068 1.00 1.00 H new ATOM 467 N ASP A 31 -8.256 6.928 -9.028 1.00 1.00 N ATOM 468 CA ASP A 31 -9.309 7.475 -8.126 1.00 1.00 C ATOM 469 C ASP A 31 -9.256 6.778 -6.764 1.00 1.00 C ATOM 470 O ASP A 31 -10.193 6.832 -5.991 1.00 1.00 O ATOM 471 CB ASP A 31 -10.632 7.173 -8.830 1.00 1.00 C ATOM 472 CG ASP A 31 -11.598 8.342 -8.627 1.00 1.00 C ATOM 473 OD1 ASP A 31 -11.847 8.687 -7.484 1.00 1.00 O ATOM 474 OD2 ASP A 31 -12.073 8.872 -9.618 1.00 1.00 O ATOM 0 H ASP A 31 -8.360 5.942 -9.269 1.00 1.00 H new ATOM 0 HA ASP A 31 -9.179 8.541 -7.942 1.00 1.00 H new ATOM 0 HB2 ASP A 31 -10.461 7.010 -9.894 1.00 1.00 H new ATOM 0 HB3 ASP A 31 -11.066 6.256 -8.433 1.00 1.00 H new ATOM 479 N ASP A 32 -8.168 6.122 -6.463 1.00 1.00 N ATOM 480 CA ASP A 32 -8.061 5.422 -5.150 1.00 1.00 C ATOM 481 C ASP A 32 -9.353 4.654 -4.860 1.00 1.00 C ATOM 482 O ASP A 32 -10.043 4.921 -3.896 1.00 1.00 O ATOM 483 CB ASP A 32 -7.855 6.535 -4.122 1.00 1.00 C ATOM 484 CG ASP A 32 -7.001 7.646 -4.736 1.00 1.00 C ATOM 485 OD1 ASP A 32 -6.057 7.322 -5.438 1.00 1.00 O ATOM 486 OD2 ASP A 32 -7.307 8.802 -4.495 1.00 1.00 O ATOM 0 H ASP A 32 -7.350 6.040 -7.067 1.00 1.00 H new ATOM 0 HA ASP A 32 -7.247 4.697 -5.131 1.00 1.00 H new ATOM 0 HB2 ASP A 32 -8.818 6.935 -3.806 1.00 1.00 H new ATOM 0 HB3 ASP A 32 -7.367 6.137 -3.232 1.00 1.00 H new ATOM 491 N TRP A 33 -9.689 3.705 -5.691 1.00 1.00 N ATOM 492 CA TRP A 33 -10.938 2.923 -5.468 1.00 1.00 C ATOM 493 C TRP A 33 -10.711 1.858 -4.392 1.00 1.00 C ATOM 494 O TRP A 33 -9.593 1.473 -4.110 1.00 1.00 O ATOM 495 CB TRP A 33 -11.238 2.268 -6.817 1.00 1.00 C ATOM 496 CG TRP A 33 -11.215 3.305 -7.895 1.00 1.00 C ATOM 497 CD1 TRP A 33 -10.187 4.151 -8.140 1.00 1.00 C ATOM 498 CD2 TRP A 33 -12.246 3.620 -8.876 1.00 1.00 C ATOM 499 NE1 TRP A 33 -10.522 4.963 -9.209 1.00 1.00 N ATOM 500 CE2 TRP A 33 -11.781 4.674 -9.696 1.00 1.00 C ATOM 501 CE3 TRP A 33 -13.527 3.097 -9.131 1.00 1.00 C ATOM 502 CZ2 TRP A 33 -12.558 5.193 -10.732 1.00 1.00 C ATOM 503 CZ3 TRP A 33 -14.313 3.616 -10.173 1.00 1.00 C ATOM 504 CH2 TRP A 33 -13.829 4.662 -10.973 1.00 1.00 C ATOM 0 H TRP A 33 -9.152 3.437 -6.516 1.00 1.00 H new ATOM 0 HA TRP A 33 -11.762 3.548 -5.125 1.00 1.00 H new ATOM 0 HB2 TRP A 33 -10.501 1.493 -7.028 1.00 1.00 H new ATOM 0 HB3 TRP A 33 -12.213 1.781 -6.787 1.00 1.00 H new ATOM 0 HD1 TRP A 33 -9.258 4.186 -7.591 1.00 1.00 H new ATOM 0 HE1 TRP A 33 -9.913 5.687 -9.591 1.00 1.00 H new ATOM 0 HE3 TRP A 33 -13.908 2.291 -8.522 1.00 1.00 H new ATOM 0 HZ2 TRP A 33 -12.181 5.999 -11.344 1.00 1.00 H new ATOM 0 HZ3 TRP A 33 -15.295 3.208 -10.359 1.00 1.00 H new ATOM 0 HH2 TRP A 33 -14.437 5.056 -11.774 1.00 1.00 H new ATOM 515 N VAL A 34 -11.764 1.378 -3.787 1.00 1.00 N ATOM 516 CA VAL A 34 -11.608 0.338 -2.730 1.00 1.00 C ATOM 517 C VAL A 34 -12.348 -0.940 -3.133 1.00 1.00 C ATOM 518 O VAL A 34 -13.395 -0.896 -3.747 1.00 1.00 O ATOM 519 CB VAL A 34 -12.239 0.950 -1.479 1.00 1.00 C ATOM 520 CG1 VAL A 34 -13.759 0.990 -1.640 1.00 1.00 C ATOM 521 CG2 VAL A 34 -11.879 0.099 -0.260 1.00 1.00 C ATOM 0 H VAL A 34 -12.725 1.661 -3.979 1.00 1.00 H new ATOM 0 HA VAL A 34 -10.565 0.064 -2.570 1.00 1.00 H new ATOM 0 HB VAL A 34 -11.862 1.963 -1.341 1.00 1.00 H new ATOM 0 HG11 VAL A 34 -14.208 1.426 -0.748 1.00 1.00 H new ATOM 0 HG12 VAL A 34 -14.017 1.595 -2.509 1.00 1.00 H new ATOM 0 HG13 VAL A 34 -14.137 -0.023 -1.778 1.00 1.00 H new ATOM 0 HG21 VAL A 34 -12.328 0.534 0.633 1.00 1.00 H new ATOM 0 HG22 VAL A 34 -12.256 -0.914 -0.399 1.00 1.00 H new ATOM 0 HG23 VAL A 34 -10.796 0.070 -0.144 1.00 1.00 H new ATOM 531 N ASN A 35 -11.811 -2.081 -2.795 1.00 1.00 N ATOM 532 CA ASN A 35 -12.483 -3.360 -3.163 1.00 1.00 C ATOM 533 C ASN A 35 -13.821 -3.488 -2.428 1.00 1.00 C ATOM 534 O ASN A 35 -13.872 -3.849 -1.269 1.00 1.00 O ATOM 535 CB ASN A 35 -11.519 -4.458 -2.713 1.00 1.00 C ATOM 536 CG ASN A 35 -12.135 -5.827 -3.004 1.00 1.00 C ATOM 537 OD1 ASN A 35 -13.003 -5.950 -3.846 1.00 1.00 O ATOM 538 ND2 ASN A 35 -11.722 -6.871 -2.338 1.00 1.00 N ATOM 0 H ASN A 35 -10.936 -2.183 -2.280 1.00 1.00 H new ATOM 0 HA ASN A 35 -12.700 -3.419 -4.230 1.00 1.00 H new ATOM 0 HB2 ASN A 35 -10.567 -4.357 -3.234 1.00 1.00 H new ATOM 0 HB3 ASN A 35 -11.311 -4.360 -1.648 1.00 1.00 H new ATOM 0 HD21 ASN A 35 -12.128 -7.788 -2.525 1.00 1.00 H new ATOM 0 HD22 ASN A 35 -10.994 -6.770 -1.631 1.00 1.00 H new ATOM 545 N ALA A 36 -14.904 -3.196 -3.094 1.00 1.00 N ATOM 546 CA ALA A 36 -16.238 -3.302 -2.436 1.00 1.00 C ATOM 547 C ALA A 36 -16.319 -4.578 -1.593 1.00 1.00 C ATOM 548 O ALA A 36 -17.033 -4.639 -0.612 1.00 1.00 O ATOM 549 CB ALA A 36 -17.244 -3.353 -3.586 1.00 1.00 C ATOM 0 H ALA A 36 -14.923 -2.888 -4.066 1.00 1.00 H new ATOM 0 HA ALA A 36 -16.431 -2.468 -1.762 1.00 1.00 H new ATOM 0 HB1 ALA A 36 -18.254 -3.432 -3.183 1.00 1.00 H new ATOM 0 HB2 ALA A 36 -17.161 -2.444 -4.183 1.00 1.00 H new ATOM 0 HB3 ALA A 36 -17.035 -4.219 -4.214 1.00 1.00 H new ATOM 555 N THR A 37 -15.589 -5.599 -1.960 1.00 1.00 N ATOM 556 CA THR A 37 -15.633 -6.859 -1.162 1.00 1.00 C ATOM 557 C THR A 37 -15.167 -6.576 0.265 1.00 1.00 C ATOM 558 O THR A 37 -15.805 -6.960 1.226 1.00 1.00 O ATOM 559 CB THR A 37 -14.671 -7.819 -1.862 1.00 1.00 C ATOM 560 OG1 THR A 37 -14.948 -7.834 -3.256 1.00 1.00 O ATOM 561 CG2 THR A 37 -14.851 -9.225 -1.287 1.00 1.00 C ATOM 0 H THR A 37 -14.970 -5.615 -2.770 1.00 1.00 H new ATOM 0 HA THR A 37 -16.638 -7.278 -1.101 1.00 1.00 H new ATOM 0 HB THR A 37 -13.644 -7.490 -1.702 1.00 1.00 H new ATOM 0 HG1 THR A 37 -14.281 -7.293 -3.728 1.00 1.00 H new ATOM 0 HG21 THR A 37 -14.166 -9.912 -1.784 1.00 1.00 H new ATOM 0 HG22 THR A 37 -14.638 -9.211 -0.218 1.00 1.00 H new ATOM 0 HG23 THR A 37 -15.877 -9.555 -1.448 1.00 1.00 H new ATOM 569 N HIS A 38 -14.069 -5.887 0.412 1.00 1.00 N ATOM 570 CA HIS A 38 -13.580 -5.559 1.779 1.00 1.00 C ATOM 571 C HIS A 38 -14.648 -4.737 2.498 1.00 1.00 C ATOM 572 O HIS A 38 -14.765 -4.759 3.708 1.00 1.00 O ATOM 573 CB HIS A 38 -12.311 -4.733 1.566 1.00 1.00 C ATOM 574 CG HIS A 38 -12.338 -3.530 2.468 1.00 1.00 C ATOM 575 ND1 HIS A 38 -13.097 -2.408 2.180 1.00 1.00 N ATOM 576 CD2 HIS A 38 -11.703 -3.259 3.655 1.00 1.00 C ATOM 577 CE1 HIS A 38 -12.904 -1.521 3.173 1.00 1.00 C ATOM 578 NE2 HIS A 38 -12.062 -1.990 4.098 1.00 1.00 N ATOM 0 H HIS A 38 -13.492 -5.538 -0.353 1.00 1.00 H new ATOM 0 HA HIS A 38 -13.376 -6.443 2.384 1.00 1.00 H new ATOM 0 HB2 HIS A 38 -11.430 -5.339 1.777 1.00 1.00 H new ATOM 0 HB3 HIS A 38 -12.240 -4.419 0.525 1.00 1.00 H new ATOM 0 HD2 HIS A 38 -11.028 -3.929 4.167 1.00 1.00 H new ATOM 0 HE1 HIS A 38 -13.372 -0.549 3.217 1.00 1.00 H new ATOM 0 HE2 HIS A 38 -11.749 -1.519 4.947 1.00 1.00 H new ATOM 586 N ILE A 39 -15.438 -4.019 1.746 1.00 1.00 N ATOM 587 CA ILE A 39 -16.519 -3.195 2.351 1.00 1.00 C ATOM 588 C ILE A 39 -17.806 -4.019 2.442 1.00 1.00 C ATOM 589 O ILE A 39 -18.444 -4.088 3.474 1.00 1.00 O ATOM 590 CB ILE A 39 -16.699 -2.024 1.385 1.00 1.00 C ATOM 591 CG1 ILE A 39 -15.823 -0.853 1.835 1.00 1.00 C ATOM 592 CG2 ILE A 39 -18.165 -1.589 1.370 1.00 1.00 C ATOM 593 CD1 ILE A 39 -14.574 -0.789 0.954 1.00 1.00 C ATOM 0 H ILE A 39 -15.378 -3.969 0.729 1.00 1.00 H new ATOM 0 HA ILE A 39 -16.280 -2.859 3.360 1.00 1.00 H new ATOM 0 HB ILE A 39 -16.405 -2.335 0.382 1.00 1.00 H new ATOM 0 HG12 ILE A 39 -16.380 0.081 1.764 1.00 1.00 H new ATOM 0 HG13 ILE A 39 -15.539 -0.977 2.880 1.00 1.00 H new ATOM 0 HG21 ILE A 39 -18.290 -0.754 0.680 1.00 1.00 H new ATOM 0 HG22 ILE A 39 -18.789 -2.423 1.047 1.00 1.00 H new ATOM 0 HG23 ILE A 39 -18.463 -1.280 2.372 1.00 1.00 H new ATOM 0 HD11 ILE A 39 -13.947 0.044 1.271 1.00 1.00 H new ATOM 0 HD12 ILE A 39 -14.015 -1.720 1.047 1.00 1.00 H new ATOM 0 HD13 ILE A 39 -14.869 -0.646 -0.085 1.00 1.00 H new ATOM 605 N LEU A 40 -18.186 -4.650 1.365 1.00 1.00 N ATOM 606 CA LEU A 40 -19.426 -5.480 1.378 1.00 1.00 C ATOM 607 C LEU A 40 -19.088 -6.922 1.767 1.00 1.00 C ATOM 608 O LEU A 40 -19.722 -7.510 2.620 1.00 1.00 O ATOM 609 CB LEU A 40 -19.959 -5.421 -0.053 1.00 1.00 C ATOM 610 CG LEU A 40 -21.057 -4.360 -0.146 1.00 1.00 C ATOM 611 CD1 LEU A 40 -22.418 -5.008 0.112 1.00 1.00 C ATOM 612 CD2 LEU A 40 -20.802 -3.274 0.902 1.00 1.00 C ATOM 0 H LEU A 40 -17.690 -4.627 0.474 1.00 1.00 H new ATOM 0 HA LEU A 40 -20.159 -5.118 2.099 1.00 1.00 H new ATOM 0 HB2 LEU A 40 -19.150 -5.184 -0.744 1.00 1.00 H new ATOM 0 HB3 LEU A 40 -20.353 -6.394 -0.346 1.00 1.00 H new ATOM 0 HG LEU A 40 -21.051 -3.916 -1.141 1.00 1.00 H new ATOM 0 HD11 LEU A 40 -23.200 -4.251 0.046 1.00 1.00 H new ATOM 0 HD12 LEU A 40 -22.599 -5.783 -0.633 1.00 1.00 H new ATOM 0 HD13 LEU A 40 -22.427 -5.452 1.107 1.00 1.00 H new ATOM 0 HD21 LEU A 40 -21.583 -2.516 0.838 1.00 1.00 H new ATOM 0 HD22 LEU A 40 -20.809 -3.720 1.897 1.00 1.00 H new ATOM 0 HD23 LEU A 40 -19.832 -2.812 0.718 1.00 1.00 H new ATOM 624 N LYS A 41 -18.090 -7.492 1.149 1.00 1.00 N ATOM 625 CA LYS A 41 -17.708 -8.896 1.484 1.00 1.00 C ATOM 626 C LYS A 41 -17.194 -8.968 2.923 1.00 1.00 C ATOM 627 O LYS A 41 -17.251 -9.998 3.565 1.00 1.00 O ATOM 628 CB LYS A 41 -16.595 -9.250 0.498 1.00 1.00 C ATOM 629 CG LYS A 41 -16.014 -10.620 0.854 1.00 1.00 C ATOM 630 CD LYS A 41 -14.921 -10.451 1.911 1.00 1.00 C ATOM 631 CE LYS A 41 -15.183 -11.410 3.074 1.00 1.00 C ATOM 632 NZ LYS A 41 -13.890 -11.486 3.808 1.00 1.00 N ATOM 0 H LYS A 41 -17.522 -7.048 0.427 1.00 1.00 H new ATOM 0 HA LYS A 41 -18.550 -9.585 1.410 1.00 1.00 H new ATOM 0 HB2 LYS A 41 -16.986 -9.262 -0.519 1.00 1.00 H new ATOM 0 HB3 LYS A 41 -15.812 -8.492 0.529 1.00 1.00 H new ATOM 0 HG2 LYS A 41 -16.801 -11.274 1.230 1.00 1.00 H new ATOM 0 HG3 LYS A 41 -15.603 -11.095 -0.037 1.00 1.00 H new ATOM 0 HD2 LYS A 41 -13.943 -10.652 1.473 1.00 1.00 H new ATOM 0 HD3 LYS A 41 -14.904 -9.422 2.271 1.00 1.00 H new ATOM 0 HE2 LYS A 41 -15.981 -11.041 3.718 1.00 1.00 H new ATOM 0 HE3 LYS A 41 -15.491 -12.392 2.715 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 -13.619 -12.482 3.932 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 -13.153 -10.992 3.265 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 -13.993 -11.037 4.740 1.00 1.00 H new ATOM 645 N ALA A 42 -16.698 -7.876 3.435 1.00 1.00 N ATOM 646 CA ALA A 42 -16.185 -7.873 4.834 1.00 1.00 C ATOM 647 C ALA A 42 -17.351 -8.017 5.814 1.00 1.00 C ATOM 648 O ALA A 42 -17.173 -8.372 6.962 1.00 1.00 O ATOM 649 CB ALA A 42 -15.502 -6.517 5.005 1.00 1.00 C ATOM 0 H ALA A 42 -16.626 -6.985 2.945 1.00 1.00 H new ATOM 0 HA ALA A 42 -15.498 -8.697 5.028 1.00 1.00 H new ATOM 0 HB1 ALA A 42 -15.097 -6.438 6.014 1.00 1.00 H new ATOM 0 HB2 ALA A 42 -14.693 -6.423 4.281 1.00 1.00 H new ATOM 0 HB3 ALA A 42 -16.228 -5.721 4.842 1.00 1.00 H new ATOM 655 N ALA A 43 -18.545 -7.740 5.367 1.00 1.00 N ATOM 656 CA ALA A 43 -19.726 -7.854 6.270 1.00 1.00 C ATOM 657 C ALA A 43 -20.745 -8.845 5.699 1.00 1.00 C ATOM 658 O ALA A 43 -21.748 -9.139 6.319 1.00 1.00 O ATOM 659 CB ALA A 43 -20.320 -6.447 6.323 1.00 1.00 C ATOM 0 H ALA A 43 -18.754 -7.439 4.415 1.00 1.00 H new ATOM 0 HA ALA A 43 -19.452 -8.221 7.259 1.00 1.00 H new ATOM 0 HB1 ALA A 43 -21.197 -6.446 6.970 1.00 1.00 H new ATOM 0 HB2 ALA A 43 -19.578 -5.753 6.717 1.00 1.00 H new ATOM 0 HB3 ALA A 43 -20.610 -6.136 5.319 1.00 1.00 H new ATOM 665 N ASN A 44 -20.504 -9.362 4.524 1.00 1.00 N ATOM 666 CA ASN A 44 -21.473 -10.328 3.930 1.00 1.00 C ATOM 667 C ASN A 44 -20.740 -11.547 3.361 1.00 1.00 C ATOM 668 O ASN A 44 -21.335 -12.409 2.747 1.00 1.00 O ATOM 669 CB ASN A 44 -22.171 -9.554 2.810 1.00 1.00 C ATOM 670 CG ASN A 44 -21.168 -8.617 2.135 1.00 1.00 C ATOM 671 OD1 ASN A 44 -21.373 -7.420 2.090 1.00 1.00 O ATOM 672 ND2 ASN A 44 -20.084 -9.114 1.604 1.00 1.00 N ATOM 0 H ASN A 44 -19.684 -9.159 3.953 1.00 1.00 H new ATOM 0 HA ASN A 44 -22.179 -10.704 4.671 1.00 1.00 H new ATOM 0 HB2 ASN A 44 -22.586 -10.247 2.079 1.00 1.00 H new ATOM 0 HB3 ASN A 44 -23.005 -8.981 3.215 1.00 1.00 H new ATOM 0 HD21 ASN A 44 -19.409 -8.498 1.151 1.00 1.00 H new ATOM 0 HD22 ASN A 44 -19.912 -10.119 1.642 1.00 1.00 H new ATOM 679 N PHE A 45 -19.451 -11.626 3.559 1.00 1.00 N ATOM 680 CA PHE A 45 -18.690 -12.792 3.024 1.00 1.00 C ATOM 681 C PHE A 45 -18.860 -12.879 1.505 1.00 1.00 C ATOM 682 O PHE A 45 -19.803 -12.355 0.947 1.00 1.00 O ATOM 683 CB PHE A 45 -19.307 -14.015 3.704 1.00 1.00 C ATOM 684 CG PHE A 45 -19.667 -13.670 5.130 1.00 1.00 C ATOM 685 CD1 PHE A 45 -18.726 -13.048 5.959 1.00 1.00 C ATOM 686 CD2 PHE A 45 -20.942 -13.974 5.623 1.00 1.00 C ATOM 687 CE1 PHE A 45 -19.060 -12.729 7.280 1.00 1.00 C ATOM 688 CE2 PHE A 45 -21.276 -13.654 6.945 1.00 1.00 C ATOM 689 CZ PHE A 45 -20.334 -13.032 7.773 1.00 1.00 C ATOM 0 H PHE A 45 -18.895 -10.937 4.065 1.00 1.00 H new ATOM 0 HA PHE A 45 -17.621 -12.714 3.221 1.00 1.00 H new ATOM 0 HB2 PHE A 45 -20.196 -14.337 3.161 1.00 1.00 H new ATOM 0 HB3 PHE A 45 -18.604 -14.848 3.686 1.00 1.00 H new ATOM 0 HD1 PHE A 45 -17.742 -12.814 5.579 1.00 1.00 H new ATOM 0 HD2 PHE A 45 -21.668 -14.455 4.984 1.00 1.00 H new ATOM 0 HE1 PHE A 45 -18.334 -12.249 7.919 1.00 1.00 H new ATOM 0 HE2 PHE A 45 -22.260 -13.887 7.325 1.00 1.00 H new ATOM 0 HZ PHE A 45 -20.591 -12.786 8.793 1.00 1.00 H new ATOM 699 N ALA A 46 -17.953 -13.532 0.831 1.00 1.00 N ATOM 700 CA ALA A 46 -18.066 -13.644 -0.652 1.00 1.00 C ATOM 701 C ALA A 46 -18.819 -14.918 -1.038 1.00 1.00 C ATOM 702 O ALA A 46 -18.242 -15.976 -1.195 1.00 1.00 O ATOM 703 CB ALA A 46 -16.626 -13.694 -1.159 1.00 1.00 C ATOM 0 H ALA A 46 -17.140 -13.992 1.241 1.00 1.00 H new ATOM 0 HA ALA A 46 -18.620 -12.811 -1.084 1.00 1.00 H new ATOM 0 HB1 ALA A 46 -16.626 -13.777 -2.246 1.00 1.00 H new ATOM 0 HB2 ALA A 46 -16.105 -12.783 -0.864 1.00 1.00 H new ATOM 0 HB3 ALA A 46 -16.119 -14.558 -0.729 1.00 1.00 H new ATOM 709 N LYS A 47 -20.105 -14.811 -1.204 1.00 1.00 N ATOM 710 CA LYS A 47 -20.924 -15.991 -1.594 1.00 1.00 C ATOM 711 C LYS A 47 -21.917 -15.563 -2.671 1.00 1.00 C ATOM 712 O LYS A 47 -21.801 -14.490 -3.232 1.00 1.00 O ATOM 713 CB LYS A 47 -21.656 -16.413 -0.318 1.00 1.00 C ATOM 714 CG LYS A 47 -21.085 -17.741 0.183 1.00 1.00 C ATOM 715 CD LYS A 47 -22.215 -18.764 0.319 1.00 1.00 C ATOM 716 CE LYS A 47 -22.547 -18.964 1.799 1.00 1.00 C ATOM 717 NZ LYS A 47 -22.180 -20.378 2.087 1.00 1.00 N ATOM 0 H LYS A 47 -20.631 -13.945 -1.085 1.00 1.00 H new ATOM 0 HA LYS A 47 -20.329 -16.811 -1.995 1.00 1.00 H new ATOM 0 HB2 LYS A 47 -21.545 -15.645 0.448 1.00 1.00 H new ATOM 0 HB3 LYS A 47 -22.723 -16.515 -0.515 1.00 1.00 H new ATOM 0 HG2 LYS A 47 -20.329 -18.109 -0.511 1.00 1.00 H new ATOM 0 HG3 LYS A 47 -20.592 -17.597 1.145 1.00 1.00 H new ATOM 0 HD2 LYS A 47 -23.098 -18.420 -0.219 1.00 1.00 H new ATOM 0 HD3 LYS A 47 -21.918 -19.712 -0.129 1.00 1.00 H new ATOM 0 HE2 LYS A 47 -21.983 -18.274 2.427 1.00 1.00 H new ATOM 0 HE3 LYS A 47 -23.604 -18.783 1.995 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 -22.379 -20.592 3.085 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 -22.737 -21.012 1.479 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 -21.167 -20.519 1.898 1.00 1.00 H new ATOM 730 N ALA A 48 -22.899 -16.367 -2.968 1.00 1.00 N ATOM 731 CA ALA A 48 -23.875 -15.948 -4.009 1.00 1.00 C ATOM 732 C ALA A 48 -24.379 -14.553 -3.652 1.00 1.00 C ATOM 733 O ALA A 48 -24.767 -13.779 -4.505 1.00 1.00 O ATOM 734 CB ALA A 48 -25.007 -16.973 -3.940 1.00 1.00 C ATOM 0 H ALA A 48 -23.066 -17.279 -2.544 1.00 1.00 H new ATOM 0 HA ALA A 48 -23.450 -15.909 -5.012 1.00 1.00 H new ATOM 0 HB1 ALA A 48 -25.766 -16.727 -4.682 1.00 1.00 H new ATOM 0 HB2 ALA A 48 -24.610 -17.968 -4.143 1.00 1.00 H new ATOM 0 HB3 ALA A 48 -25.453 -16.956 -2.946 1.00 1.00 H new ATOM 740 N LYS A 49 -24.337 -14.219 -2.392 1.00 1.00 N ATOM 741 CA LYS A 49 -24.769 -12.863 -1.966 1.00 1.00 C ATOM 742 C LYS A 49 -23.769 -11.829 -2.491 1.00 1.00 C ATOM 743 O LYS A 49 -24.138 -10.851 -3.111 1.00 1.00 O ATOM 744 CB LYS A 49 -24.754 -12.901 -0.437 1.00 1.00 C ATOM 745 CG LYS A 49 -26.186 -13.048 0.084 1.00 1.00 C ATOM 746 CD LYS A 49 -26.587 -11.780 0.841 1.00 1.00 C ATOM 747 CE LYS A 49 -26.372 -10.559 -0.056 1.00 1.00 C ATOM 748 NZ LYS A 49 -26.705 -9.389 0.802 1.00 1.00 N ATOM 0 H LYS A 49 -24.021 -14.830 -1.639 1.00 1.00 H new ATOM 0 HA LYS A 49 -25.753 -12.592 -2.348 1.00 1.00 H new ATOM 0 HB2 LYS A 49 -24.142 -13.733 -0.089 1.00 1.00 H new ATOM 0 HB3 LYS A 49 -24.305 -11.989 -0.044 1.00 1.00 H new ATOM 0 HG2 LYS A 49 -26.871 -13.220 -0.747 1.00 1.00 H new ATOM 0 HG3 LYS A 49 -26.258 -13.915 0.741 1.00 1.00 H new ATOM 0 HD2 LYS A 49 -27.632 -11.841 1.146 1.00 1.00 H new ATOM 0 HD3 LYS A 49 -25.995 -11.685 1.751 1.00 1.00 H new ATOM 0 HE2 LYS A 49 -25.343 -10.507 -0.413 1.00 1.00 H new ATOM 0 HE3 LYS A 49 -27.013 -10.598 -0.937 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 -27.369 -8.767 0.298 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 -27.143 -9.720 1.685 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 -25.836 -8.862 1.022 1.00 1.00 H new ATOM 761 N ARG A 50 -22.499 -12.046 -2.253 1.00 1.00 N ATOM 762 CA ARG A 50 -21.475 -11.083 -2.740 1.00 1.00 C ATOM 763 C ARG A 50 -21.524 -10.996 -4.265 1.00 1.00 C ATOM 764 O ARG A 50 -21.163 -9.993 -4.850 1.00 1.00 O ATOM 765 CB ARG A 50 -20.135 -11.657 -2.277 1.00 1.00 C ATOM 766 CG ARG A 50 -19.187 -10.514 -1.909 1.00 1.00 C ATOM 767 CD ARG A 50 -19.780 -9.712 -0.747 1.00 1.00 C ATOM 768 NE ARG A 50 -20.494 -10.718 0.087 1.00 1.00 N ATOM 769 CZ ARG A 50 -21.783 -10.624 0.263 1.00 1.00 C ATOM 770 NH1 ARG A 50 -22.448 -9.646 -0.290 1.00 1.00 N ATOM 771 NH2 ARG A 50 -22.409 -11.506 0.992 1.00 1.00 N ATOM 0 H ARG A 50 -22.132 -12.849 -1.743 1.00 1.00 H new ATOM 0 HA ARG A 50 -21.637 -10.076 -2.356 1.00 1.00 H new ATOM 0 HB2 ARG A 50 -20.285 -12.310 -1.417 1.00 1.00 H new ATOM 0 HB3 ARG A 50 -19.697 -12.267 -3.067 1.00 1.00 H new ATOM 0 HG2 ARG A 50 -18.212 -10.912 -1.629 1.00 1.00 H new ATOM 0 HG3 ARG A 50 -19.031 -9.865 -2.771 1.00 1.00 H new ATOM 0 HD2 ARG A 50 -19.000 -9.207 -0.176 1.00 1.00 H new ATOM 0 HD3 ARG A 50 -20.462 -8.941 -1.106 1.00 1.00 H new ATOM 0 HE ARG A 50 -19.975 -11.481 0.521 1.00 1.00 H new ATOM 0 HH11 ARG A 50 -21.960 -8.955 -0.860 1.00 1.00 H new ATOM 0 HH12 ARG A 50 -23.456 -9.573 -0.152 1.00 1.00 H new ATOM 0 HH21 ARG A 50 -21.891 -12.270 1.425 1.00 1.00 H new ATOM 0 HH22 ARG A 50 -23.417 -11.432 1.129 1.00 1.00 H new ATOM 784 N THR A 51 -21.987 -12.029 -4.914 1.00 1.00 N ATOM 785 CA THR A 51 -22.075 -11.991 -6.400 1.00 1.00 C ATOM 786 C THR A 51 -23.136 -10.973 -6.813 1.00 1.00 C ATOM 787 O THR A 51 -22.982 -10.252 -7.778 1.00 1.00 O ATOM 788 CB THR A 51 -22.491 -13.405 -6.814 1.00 1.00 C ATOM 789 OG1 THR A 51 -21.541 -13.925 -7.735 1.00 1.00 O ATOM 790 CG2 THR A 51 -23.871 -13.361 -7.471 1.00 1.00 C ATOM 0 H THR A 51 -22.307 -12.895 -4.481 1.00 1.00 H new ATOM 0 HA THR A 51 -21.137 -11.699 -6.872 1.00 1.00 H new ATOM 0 HB THR A 51 -22.532 -14.045 -5.933 1.00 1.00 H new ATOM 0 HG1 THR A 51 -21.804 -14.831 -8.000 1.00 1.00 H new ATOM 0 HG21 THR A 51 -24.166 -14.368 -7.765 1.00 1.00 H new ATOM 0 HG22 THR A 51 -24.598 -12.962 -6.764 1.00 1.00 H new ATOM 0 HG23 THR A 51 -23.834 -12.722 -8.353 1.00 1.00 H new ATOM 798 N ARG A 52 -24.208 -10.902 -6.073 1.00 1.00 N ATOM 799 CA ARG A 52 -25.279 -9.919 -6.402 1.00 1.00 C ATOM 800 C ARG A 52 -25.058 -8.642 -5.591 1.00 1.00 C ATOM 801 O ARG A 52 -24.817 -7.581 -6.133 1.00 1.00 O ATOM 802 CB ARG A 52 -26.586 -10.600 -5.995 1.00 1.00 C ATOM 803 CG ARG A 52 -27.283 -11.154 -7.240 1.00 1.00 C ATOM 804 CD ARG A 52 -28.761 -11.401 -6.930 1.00 1.00 C ATOM 805 NE ARG A 52 -29.237 -10.141 -6.295 1.00 1.00 N ATOM 806 CZ ARG A 52 -29.413 -10.087 -5.003 1.00 1.00 C ATOM 807 NH1 ARG A 52 -29.172 -11.137 -4.267 1.00 1.00 N ATOM 808 NH2 ARG A 52 -29.830 -8.982 -4.447 1.00 1.00 N ATOM 0 H ARG A 52 -24.389 -11.483 -5.254 1.00 1.00 H new ATOM 0 HA ARG A 52 -25.288 -9.640 -7.456 1.00 1.00 H new ATOM 0 HB2 ARG A 52 -26.384 -11.406 -5.289 1.00 1.00 H new ATOM 0 HB3 ARG A 52 -27.237 -9.888 -5.488 1.00 1.00 H new ATOM 0 HG2 ARG A 52 -27.187 -10.451 -8.067 1.00 1.00 H new ATOM 0 HG3 ARG A 52 -26.806 -12.083 -7.554 1.00 1.00 H new ATOM 0 HD2 ARG A 52 -29.323 -11.623 -7.837 1.00 1.00 H new ATOM 0 HD3 ARG A 52 -28.887 -12.252 -6.261 1.00 1.00 H new ATOM 0 HE ARG A 52 -29.426 -9.320 -6.870 1.00 1.00 H new ATOM 0 HH11 ARG A 52 -28.846 -12.000 -4.701 1.00 1.00 H new ATOM 0 HH12 ARG A 52 -29.310 -11.094 -3.257 1.00 1.00 H new ATOM 0 HH21 ARG A 52 -30.018 -8.161 -5.022 1.00 1.00 H new ATOM 0 HH22 ARG A 52 -29.968 -8.940 -3.437 1.00 1.00 H new ATOM 821 N ILE A 53 -25.134 -8.739 -4.292 1.00 1.00 N ATOM 822 CA ILE A 53 -24.925 -7.533 -3.443 1.00 1.00 C ATOM 823 C ILE A 53 -23.688 -6.770 -3.924 1.00 1.00 C ATOM 824 O ILE A 53 -23.701 -5.560 -4.038 1.00 1.00 O ATOM 825 CB ILE A 53 -24.707 -8.075 -2.030 1.00 1.00 C ATOM 826 CG1 ILE A 53 -26.037 -8.590 -1.472 1.00 1.00 C ATOM 827 CG2 ILE A 53 -24.177 -6.957 -1.131 1.00 1.00 C ATOM 828 CD1 ILE A 53 -27.195 -7.924 -2.215 1.00 1.00 C ATOM 0 H ILE A 53 -25.332 -9.600 -3.783 1.00 1.00 H new ATOM 0 HA ILE A 53 -25.767 -6.842 -3.485 1.00 1.00 H new ATOM 0 HB ILE A 53 -23.984 -8.890 -2.061 1.00 1.00 H new ATOM 0 HG12 ILE A 53 -26.095 -9.673 -1.583 1.00 1.00 H new ATOM 0 HG13 ILE A 53 -26.104 -8.375 -0.406 1.00 1.00 H new ATOM 0 HG21 ILE A 53 -24.022 -7.343 -0.124 1.00 1.00 H new ATOM 0 HG22 ILE A 53 -23.231 -6.588 -1.528 1.00 1.00 H new ATOM 0 HG23 ILE A 53 -24.900 -6.142 -1.100 1.00 1.00 H new ATOM 0 HD11 ILE A 53 -28.141 -8.291 -1.818 1.00 1.00 H new ATOM 0 HD12 ILE A 53 -27.140 -6.844 -2.081 1.00 1.00 H new ATOM 0 HD13 ILE A 53 -27.131 -8.162 -3.277 1.00 1.00 H new ATOM 840 N LEU A 54 -22.627 -7.467 -4.230 1.00 1.00 N ATOM 841 CA LEU A 54 -21.407 -6.771 -4.729 1.00 1.00 C ATOM 842 C LEU A 54 -21.694 -6.182 -6.112 1.00 1.00 C ATOM 843 O LEU A 54 -21.585 -4.992 -6.333 1.00 1.00 O ATOM 844 CB LEU A 54 -20.333 -7.857 -4.816 1.00 1.00 C ATOM 845 CG LEU A 54 -19.023 -7.242 -5.311 1.00 1.00 C ATOM 846 CD1 LEU A 54 -19.109 -5.717 -5.219 1.00 1.00 C ATOM 847 CD2 LEU A 54 -17.868 -7.739 -4.440 1.00 1.00 C ATOM 0 H LEU A 54 -22.552 -8.482 -4.157 1.00 1.00 H new ATOM 0 HA LEU A 54 -21.093 -5.952 -4.082 1.00 1.00 H new ATOM 0 HB2 LEU A 54 -20.185 -8.316 -3.838 1.00 1.00 H new ATOM 0 HB3 LEU A 54 -20.655 -8.648 -5.494 1.00 1.00 H new ATOM 0 HG LEU A 54 -18.852 -7.535 -6.347 1.00 1.00 H new ATOM 0 HD11 LEU A 54 -18.176 -5.278 -5.572 1.00 1.00 H new ATOM 0 HD12 LEU A 54 -19.934 -5.361 -5.837 1.00 1.00 H new ATOM 0 HD13 LEU A 54 -19.279 -5.424 -4.183 1.00 1.00 H new ATOM 0 HD21 LEU A 54 -16.933 -7.302 -4.791 1.00 1.00 H new ATOM 0 HD22 LEU A 54 -18.040 -7.444 -3.405 1.00 1.00 H new ATOM 0 HD23 LEU A 54 -17.806 -8.825 -4.503 1.00 1.00 H new ATOM 859 N GLU A 55 -22.065 -7.018 -7.043 1.00 1.00 N ATOM 860 CA GLU A 55 -22.370 -6.526 -8.417 1.00 1.00 C ATOM 861 C GLU A 55 -23.418 -5.414 -8.353 1.00 1.00 C ATOM 862 O GLU A 55 -23.298 -4.394 -9.003 1.00 1.00 O ATOM 863 CB GLU A 55 -22.923 -7.742 -9.162 1.00 1.00 C ATOM 864 CG GLU A 55 -22.067 -8.015 -10.401 1.00 1.00 C ATOM 865 CD GLU A 55 -21.897 -9.524 -10.582 1.00 1.00 C ATOM 866 OE1 GLU A 55 -22.900 -10.197 -10.755 1.00 1.00 O ATOM 867 OE2 GLU A 55 -20.766 -9.981 -10.545 1.00 1.00 O ATOM 0 H GLU A 55 -22.170 -8.024 -6.911 1.00 1.00 H new ATOM 0 HA GLU A 55 -21.493 -6.111 -8.913 1.00 1.00 H new ATOM 0 HB2 GLU A 55 -22.923 -8.614 -8.508 1.00 1.00 H new ATOM 0 HB3 GLU A 55 -23.958 -7.563 -9.454 1.00 1.00 H new ATOM 0 HG2 GLU A 55 -22.538 -7.583 -11.284 1.00 1.00 H new ATOM 0 HG3 GLU A 55 -21.092 -7.539 -10.295 1.00 1.00 H new ATOM 874 N LYS A 56 -24.443 -5.598 -7.566 1.00 1.00 N ATOM 875 CA LYS A 56 -25.495 -4.548 -7.453 1.00 1.00 C ATOM 876 C LYS A 56 -24.951 -3.350 -6.672 1.00 1.00 C ATOM 877 O LYS A 56 -25.307 -2.216 -6.924 1.00 1.00 O ATOM 878 CB LYS A 56 -26.641 -5.212 -6.690 1.00 1.00 C ATOM 879 CG LYS A 56 -27.123 -6.443 -7.462 1.00 1.00 C ATOM 880 CD LYS A 56 -27.559 -6.026 -8.869 1.00 1.00 C ATOM 881 CE LYS A 56 -29.053 -6.308 -9.045 1.00 1.00 C ATOM 882 NZ LYS A 56 -29.339 -5.984 -10.470 1.00 1.00 N ATOM 0 H LYS A 56 -24.597 -6.430 -6.996 1.00 1.00 H new ATOM 0 HA LYS A 56 -25.819 -4.177 -8.425 1.00 1.00 H new ATOM 0 HB2 LYS A 56 -26.309 -5.502 -5.693 1.00 1.00 H new ATOM 0 HB3 LYS A 56 -27.462 -4.507 -6.560 1.00 1.00 H new ATOM 0 HG2 LYS A 56 -26.325 -7.183 -7.522 1.00 1.00 H new ATOM 0 HG3 LYS A 56 -27.955 -6.912 -6.936 1.00 1.00 H new ATOM 0 HD2 LYS A 56 -27.357 -4.966 -9.025 1.00 1.00 H new ATOM 0 HD3 LYS A 56 -26.984 -6.573 -9.616 1.00 1.00 H new ATOM 0 HE2 LYS A 56 -29.288 -7.349 -8.822 1.00 1.00 H new ATOM 0 HE3 LYS A 56 -29.653 -5.695 -8.372 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 -30.346 -6.152 -10.669 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 -29.112 -4.985 -10.651 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 -28.759 -6.588 -11.087 1.00 1.00 H new ATOM 895 N GLU A 57 -24.085 -3.596 -5.727 1.00 1.00 N ATOM 896 CA GLU A 57 -23.509 -2.473 -4.931 1.00 1.00 C ATOM 897 C GLU A 57 -22.346 -1.839 -5.696 1.00 1.00 C ATOM 898 O GLU A 57 -22.224 -0.632 -5.774 1.00 1.00 O ATOM 899 CB GLU A 57 -23.014 -3.117 -3.636 1.00 1.00 C ATOM 900 CG GLU A 57 -21.760 -2.387 -3.150 1.00 1.00 C ATOM 901 CD GLU A 57 -22.164 -1.242 -2.219 1.00 1.00 C ATOM 902 OE1 GLU A 57 -22.663 -0.246 -2.719 1.00 1.00 O ATOM 903 OE2 GLU A 57 -21.967 -1.380 -1.022 1.00 1.00 O ATOM 0 H GLU A 57 -23.751 -4.525 -5.471 1.00 1.00 H new ATOM 0 HA GLU A 57 -24.235 -1.683 -4.737 1.00 1.00 H new ATOM 0 HB2 GLU A 57 -23.792 -3.072 -2.874 1.00 1.00 H new ATOM 0 HB3 GLU A 57 -22.792 -4.171 -3.803 1.00 1.00 H new ATOM 0 HG2 GLU A 57 -21.103 -3.081 -2.626 1.00 1.00 H new ATOM 0 HG3 GLU A 57 -21.200 -1.998 -4.001 1.00 1.00 H new ATOM 910 N VAL A 58 -21.492 -2.644 -6.266 1.00 1.00 N ATOM 911 CA VAL A 58 -20.340 -2.090 -7.032 1.00 1.00 C ATOM 912 C VAL A 58 -20.746 -1.849 -8.488 1.00 1.00 C ATOM 913 O VAL A 58 -20.506 -0.795 -9.043 1.00 1.00 O ATOM 914 CB VAL A 58 -19.253 -3.162 -6.947 1.00 1.00 C ATOM 915 CG1 VAL A 58 -19.392 -4.125 -8.128 1.00 1.00 C ATOM 916 CG2 VAL A 58 -17.876 -2.496 -6.992 1.00 1.00 C ATOM 0 H VAL A 58 -21.542 -3.662 -6.234 1.00 1.00 H new ATOM 0 HA VAL A 58 -19.998 -1.135 -6.634 1.00 1.00 H new ATOM 0 HB VAL A 58 -19.360 -3.714 -6.013 1.00 1.00 H new ATOM 0 HG11 VAL A 58 -18.617 -4.889 -8.067 1.00 1.00 H new ATOM 0 HG12 VAL A 58 -20.373 -4.599 -8.097 1.00 1.00 H new ATOM 0 HG13 VAL A 58 -19.285 -3.573 -9.062 1.00 1.00 H new ATOM 0 HG21 VAL A 58 -17.100 -3.259 -6.931 1.00 1.00 H new ATOM 0 HG22 VAL A 58 -17.769 -1.944 -7.926 1.00 1.00 H new ATOM 0 HG23 VAL A 58 -17.776 -1.810 -6.151 1.00 1.00 H new ATOM 926 N LEU A 59 -21.365 -2.816 -9.109 1.00 1.00 N ATOM 927 CA LEU A 59 -21.789 -2.636 -10.527 1.00 1.00 C ATOM 928 C LEU A 59 -22.232 -1.190 -10.754 1.00 1.00 C ATOM 929 O LEU A 59 -21.859 -0.558 -11.722 1.00 1.00 O ATOM 930 CB LEU A 59 -22.966 -3.593 -10.715 1.00 1.00 C ATOM 931 CG LEU A 59 -23.442 -3.538 -12.168 1.00 1.00 C ATOM 932 CD1 LEU A 59 -24.559 -4.562 -12.378 1.00 1.00 C ATOM 933 CD2 LEU A 59 -23.971 -2.136 -12.478 1.00 1.00 C ATOM 0 H LEU A 59 -21.595 -3.720 -8.697 1.00 1.00 H new ATOM 0 HA LEU A 59 -20.984 -2.842 -11.233 1.00 1.00 H new ATOM 0 HB2 LEU A 59 -22.667 -4.609 -10.457 1.00 1.00 H new ATOM 0 HB3 LEU A 59 -23.781 -3.321 -10.044 1.00 1.00 H new ATOM 0 HG LEU A 59 -22.609 -3.768 -12.832 1.00 1.00 H new ATOM 0 HD11 LEU A 59 -24.898 -4.523 -13.413 1.00 1.00 H new ATOM 0 HD12 LEU A 59 -24.183 -5.561 -12.157 1.00 1.00 H new ATOM 0 HD13 LEU A 59 -25.392 -4.333 -11.714 1.00 1.00 H new ATOM 0 HD21 LEU A 59 -24.310 -2.096 -13.513 1.00 1.00 H new ATOM 0 HD22 LEU A 59 -24.804 -1.906 -11.814 1.00 1.00 H new ATOM 0 HD23 LEU A 59 -23.176 -1.406 -12.328 1.00 1.00 H new ATOM 945 N LYS A 60 -23.019 -0.658 -9.859 1.00 1.00 N ATOM 946 CA LYS A 60 -23.482 0.750 -10.012 1.00 1.00 C ATOM 947 C LYS A 60 -22.495 1.696 -9.323 1.00 1.00 C ATOM 948 O LYS A 60 -22.391 2.857 -9.663 1.00 1.00 O ATOM 949 CB LYS A 60 -24.844 0.797 -9.320 1.00 1.00 C ATOM 950 CG LYS A 60 -25.880 1.403 -10.269 1.00 1.00 C ATOM 951 CD LYS A 60 -27.284 1.163 -9.713 1.00 1.00 C ATOM 952 CE LYS A 60 -27.299 1.467 -8.213 1.00 1.00 C ATOM 953 NZ LYS A 60 -28.740 1.610 -7.863 1.00 1.00 N ATOM 0 H LYS A 60 -23.362 -1.139 -9.027 1.00 1.00 H new ATOM 0 HA LYS A 60 -23.549 1.057 -11.056 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -25.149 -0.207 -9.026 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -24.780 1.391 -8.408 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -25.701 2.472 -10.385 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -25.788 0.955 -11.259 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -28.005 1.797 -10.230 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -27.584 0.130 -9.888 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -26.832 0.664 -7.643 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -26.746 2.379 -7.990 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -28.832 1.820 -6.848 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -29.156 2.386 -8.416 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -29.240 0.724 -8.080 1.00 1.00 H new ATOM 966 N GLU A 61 -21.766 1.201 -8.359 1.00 1.00 N ATOM 967 CA GLU A 61 -20.782 2.065 -7.648 1.00 1.00 C ATOM 968 C GLU A 61 -19.366 1.783 -8.156 1.00 1.00 C ATOM 969 O GLU A 61 -18.656 0.953 -7.626 1.00 1.00 O ATOM 970 CB GLU A 61 -20.908 1.684 -6.175 1.00 1.00 C ATOM 971 CG GLU A 61 -19.560 1.176 -5.661 1.00 1.00 C ATOM 972 CD GLU A 61 -19.412 1.530 -4.179 1.00 1.00 C ATOM 973 OE1 GLU A 61 -20.427 1.628 -3.510 1.00 1.00 O ATOM 974 OE2 GLU A 61 -18.286 1.697 -3.740 1.00 1.00 O ATOM 0 H GLU A 61 -21.810 0.235 -8.034 1.00 1.00 H new ATOM 0 HA GLU A 61 -20.973 3.126 -7.811 1.00 1.00 H new ATOM 0 HB2 GLU A 61 -21.230 2.547 -5.592 1.00 1.00 H new ATOM 0 HB3 GLU A 61 -21.670 0.914 -6.052 1.00 1.00 H new ATOM 0 HG2 GLU A 61 -19.490 0.097 -5.797 1.00 1.00 H new ATOM 0 HG3 GLU A 61 -18.748 1.622 -6.235 1.00 1.00 H new ATOM 981 N THR A 62 -18.957 2.471 -9.183 1.00 1.00 N ATOM 982 CA THR A 62 -17.589 2.254 -9.736 1.00 1.00 C ATOM 983 C THR A 62 -17.041 0.894 -9.288 1.00 1.00 C ATOM 984 O THR A 62 -16.120 0.816 -8.501 1.00 1.00 O ATOM 985 CB THR A 62 -16.743 3.388 -9.158 1.00 1.00 C ATOM 986 OG1 THR A 62 -17.360 3.879 -7.976 1.00 1.00 O ATOM 987 CG2 THR A 62 -16.628 4.516 -10.184 1.00 1.00 C ATOM 0 H THR A 62 -19.512 3.177 -9.666 1.00 1.00 H new ATOM 0 HA THR A 62 -17.582 2.254 -10.826 1.00 1.00 H new ATOM 0 HB THR A 62 -15.747 3.015 -8.921 1.00 1.00 H new ATOM 0 HG1 THR A 62 -18.078 4.501 -8.216 1.00 1.00 H new ATOM 0 HG21 THR A 62 -16.024 5.324 -9.770 1.00 1.00 H new ATOM 0 HG22 THR A 62 -16.155 4.137 -11.090 1.00 1.00 H new ATOM 0 HG23 THR A 62 -17.622 4.892 -10.424 1.00 1.00 H new ATOM 995 N HIS A 63 -17.600 -0.175 -9.787 1.00 1.00 N ATOM 996 CA HIS A 63 -17.107 -1.527 -9.390 1.00 1.00 C ATOM 997 C HIS A 63 -16.156 -2.073 -10.458 1.00 1.00 C ATOM 998 O HIS A 63 -16.543 -2.311 -11.584 1.00 1.00 O ATOM 999 CB HIS A 63 -18.363 -2.394 -9.297 1.00 1.00 C ATOM 1000 CG HIS A 63 -19.036 -2.446 -10.640 1.00 1.00 C ATOM 1001 ND1 HIS A 63 -19.664 -1.341 -11.195 1.00 1.00 N ATOM 1002 CD2 HIS A 63 -19.190 -3.461 -11.552 1.00 1.00 C ATOM 1003 CE1 HIS A 63 -20.160 -1.714 -12.389 1.00 1.00 C ATOM 1004 NE2 HIS A 63 -19.899 -2.997 -12.655 1.00 1.00 N ATOM 0 H HIS A 63 -18.375 -0.172 -10.451 1.00 1.00 H new ATOM 0 HA HIS A 63 -16.555 -1.508 -8.450 1.00 1.00 H new ATOM 0 HB2 HIS A 63 -18.100 -3.400 -8.971 1.00 1.00 H new ATOM 0 HB3 HIS A 63 -19.046 -1.986 -8.552 1.00 1.00 H new ATOM 0 HD2 HIS A 63 -18.817 -4.467 -11.431 1.00 1.00 H new ATOM 0 HE1 HIS A 63 -20.703 -1.056 -13.052 1.00 1.00 H new ATOM 0 HE2 HIS A 63 -20.163 -3.523 -13.488 1.00 1.00 H new ATOM 1012 N GLU A 64 -14.911 -2.267 -10.116 1.00 1.00 N ATOM 1013 CA GLU A 64 -13.936 -2.790 -11.116 1.00 1.00 C ATOM 1014 C GLU A 64 -13.474 -4.199 -10.734 1.00 1.00 C ATOM 1015 O GLU A 64 -13.048 -4.443 -9.622 1.00 1.00 O ATOM 1016 CB GLU A 64 -12.760 -1.816 -11.065 1.00 1.00 C ATOM 1017 CG GLU A 64 -13.083 -0.579 -11.908 1.00 1.00 C ATOM 1018 CD GLU A 64 -14.037 0.332 -11.135 1.00 1.00 C ATOM 1019 OE1 GLU A 64 -13.655 0.792 -10.071 1.00 1.00 O ATOM 1020 OE2 GLU A 64 -15.135 0.554 -11.617 1.00 1.00 O ATOM 0 H GLU A 64 -14.527 -2.086 -9.188 1.00 1.00 H new ATOM 0 HA GLU A 64 -14.372 -2.861 -12.112 1.00 1.00 H new ATOM 0 HB2 GLU A 64 -12.560 -1.524 -10.034 1.00 1.00 H new ATOM 0 HB3 GLU A 64 -11.858 -2.299 -11.440 1.00 1.00 H new ATOM 0 HG2 GLU A 64 -12.166 -0.041 -12.150 1.00 1.00 H new ATOM 0 HG3 GLU A 64 -13.536 -0.878 -12.853 1.00 1.00 H new ATOM 1027 N LYS A 65 -13.549 -5.126 -11.649 1.00 1.00 N ATOM 1028 CA LYS A 65 -13.107 -6.516 -11.342 1.00 1.00 C ATOM 1029 C LYS A 65 -11.646 -6.704 -11.760 1.00 1.00 C ATOM 1030 O LYS A 65 -11.283 -6.482 -12.898 1.00 1.00 O ATOM 1031 CB LYS A 65 -14.022 -7.417 -12.171 1.00 1.00 C ATOM 1032 CG LYS A 65 -15.483 -7.056 -11.894 1.00 1.00 C ATOM 1033 CD LYS A 65 -15.762 -7.170 -10.394 1.00 1.00 C ATOM 1034 CE LYS A 65 -14.956 -8.332 -9.810 1.00 1.00 C ATOM 1035 NZ LYS A 65 -15.374 -9.524 -10.599 1.00 1.00 N ATOM 0 H LYS A 65 -13.897 -4.981 -12.597 1.00 1.00 H new ATOM 0 HA LYS A 65 -13.168 -6.745 -10.278 1.00 1.00 H new ATOM 0 HB2 LYS A 65 -13.802 -7.299 -13.232 1.00 1.00 H new ATOM 0 HB3 LYS A 65 -13.842 -8.463 -11.923 1.00 1.00 H new ATOM 0 HG2 LYS A 65 -15.689 -6.042 -12.237 1.00 1.00 H new ATOM 0 HG3 LYS A 65 -16.144 -7.721 -12.449 1.00 1.00 H new ATOM 0 HD2 LYS A 65 -15.495 -6.240 -9.892 1.00 1.00 H new ATOM 0 HD3 LYS A 65 -16.827 -7.330 -10.223 1.00 1.00 H new ATOM 0 HE2 LYS A 65 -13.884 -8.154 -9.901 1.00 1.00 H new ATOM 0 HE3 LYS A 65 -15.168 -8.466 -8.749 1.00 1.00 H new ATOM 0 HZ1 LYS A 65 -15.550 -10.322 -9.956 1.00 1.00 H new ATOM 0 HZ2 LYS A 65 -16.244 -9.305 -11.124 1.00 1.00 H new ATOM 0 HZ3 LYS A 65 -14.620 -9.779 -11.269 1.00 1.00 H new ATOM 1048 N VAL A 66 -10.802 -7.103 -10.848 1.00 1.00 N ATOM 1049 CA VAL A 66 -9.365 -7.297 -11.195 1.00 1.00 C ATOM 1050 C VAL A 66 -9.122 -8.726 -11.685 1.00 1.00 C ATOM 1051 O VAL A 66 -9.409 -9.686 -10.998 1.00 1.00 O ATOM 1052 CB VAL A 66 -8.606 -7.040 -9.895 1.00 1.00 C ATOM 1053 CG1 VAL A 66 -9.463 -6.183 -8.963 1.00 1.00 C ATOM 1054 CG2 VAL A 66 -8.297 -8.376 -9.215 1.00 1.00 C ATOM 0 H VAL A 66 -11.045 -7.303 -9.878 1.00 1.00 H new ATOM 0 HA VAL A 66 -9.042 -6.631 -11.995 1.00 1.00 H new ATOM 0 HB VAL A 66 -7.675 -6.517 -10.115 1.00 1.00 H new ATOM 0 HG11 VAL A 66 -8.920 -6.000 -8.035 1.00 1.00 H new ATOM 0 HG12 VAL A 66 -9.687 -5.232 -9.446 1.00 1.00 H new ATOM 0 HG13 VAL A 66 -10.394 -6.705 -8.742 1.00 1.00 H new ATOM 0 HG21 VAL A 66 -7.755 -8.195 -8.287 1.00 1.00 H new ATOM 0 HG22 VAL A 66 -9.229 -8.897 -8.996 1.00 1.00 H new ATOM 0 HG23 VAL A 66 -7.686 -8.989 -9.878 1.00 1.00 H new ATOM 1064 N GLN A 67 -8.592 -8.874 -12.869 1.00 1.00 N ATOM 1065 CA GLN A 67 -8.326 -10.240 -13.403 1.00 1.00 C ATOM 1066 C GLN A 67 -7.018 -10.251 -14.199 1.00 1.00 C ATOM 1067 O GLN A 67 -6.601 -9.244 -14.737 1.00 1.00 O ATOM 1068 CB GLN A 67 -9.514 -10.545 -14.317 1.00 1.00 C ATOM 1069 CG GLN A 67 -10.332 -11.695 -13.725 1.00 1.00 C ATOM 1070 CD GLN A 67 -11.823 -11.382 -13.859 1.00 1.00 C ATOM 1071 OE1 GLN A 67 -12.600 -12.228 -14.253 1.00 1.00 O ATOM 1072 NE2 GLN A 67 -12.259 -10.192 -13.545 1.00 1.00 N ATOM 0 H GLN A 67 -8.332 -8.108 -13.490 1.00 1.00 H new ATOM 0 HA GLN A 67 -8.221 -10.981 -12.611 1.00 1.00 H new ATOM 0 HB2 GLN A 67 -10.139 -9.659 -14.426 1.00 1.00 H new ATOM 0 HB3 GLN A 67 -9.161 -10.811 -15.313 1.00 1.00 H new ATOM 0 HG2 GLN A 67 -10.097 -12.626 -14.241 1.00 1.00 H new ATOM 0 HG3 GLN A 67 -10.072 -11.838 -12.676 1.00 1.00 H new ATOM 0 HE21 GLN A 67 -11.607 -9.481 -13.214 1.00 1.00 H new ATOM 0 HE22 GLN A 67 -13.252 -9.974 -13.631 1.00 1.00 H new ATOM 1081 N GLY A 68 -6.368 -11.380 -14.279 1.00 1.00 N ATOM 1082 CA GLY A 68 -5.089 -11.450 -15.041 1.00 1.00 C ATOM 1083 C GLY A 68 -3.913 -11.199 -14.095 1.00 1.00 C ATOM 1084 O GLY A 68 -2.767 -11.228 -14.495 1.00 1.00 O ATOM 0 H GLY A 68 -6.667 -12.256 -13.850 1.00 1.00 H new ATOM 0 HA2 GLY A 68 -4.988 -12.428 -15.512 1.00 1.00 H new ATOM 0 HA3 GLY A 68 -5.090 -10.710 -15.841 1.00 1.00 H new ATOM 1088 N GLY A 69 -4.187 -10.954 -12.843 1.00 1.00 N ATOM 1089 CA GLY A 69 -3.082 -10.702 -11.875 1.00 1.00 C ATOM 1090 C GLY A 69 -2.956 -9.199 -11.621 1.00 1.00 C ATOM 1091 O GLY A 69 -2.139 -8.758 -10.836 1.00 1.00 O ATOM 0 H GLY A 69 -5.127 -10.917 -12.449 1.00 1.00 H new ATOM 0 HA2 GLY A 69 -3.279 -11.224 -10.939 1.00 1.00 H new ATOM 0 HA3 GLY A 69 -2.144 -11.095 -12.268 1.00 1.00 H new ATOM 1095 N PHE A 70 -3.760 -8.407 -12.277 1.00 1.00 N ATOM 1096 CA PHE A 70 -3.685 -6.932 -12.071 1.00 1.00 C ATOM 1097 C PHE A 70 -4.831 -6.469 -11.167 1.00 1.00 C ATOM 1098 O PHE A 70 -5.976 -6.430 -11.572 1.00 1.00 O ATOM 1099 CB PHE A 70 -3.828 -6.329 -13.469 1.00 1.00 C ATOM 1100 CG PHE A 70 -2.477 -5.866 -13.959 1.00 1.00 C ATOM 1101 CD1 PHE A 70 -1.353 -5.987 -13.133 1.00 1.00 C ATOM 1102 CD2 PHE A 70 -2.348 -5.314 -15.240 1.00 1.00 C ATOM 1103 CE1 PHE A 70 -0.100 -5.558 -13.587 1.00 1.00 C ATOM 1104 CE2 PHE A 70 -1.095 -4.885 -15.694 1.00 1.00 C ATOM 1105 CZ PHE A 70 0.028 -5.006 -14.868 1.00 1.00 C ATOM 0 H PHE A 70 -4.465 -8.717 -12.946 1.00 1.00 H new ATOM 0 HA PHE A 70 -2.756 -6.627 -11.590 1.00 1.00 H new ATOM 0 HB2 PHE A 70 -4.241 -7.068 -14.155 1.00 1.00 H new ATOM 0 HB3 PHE A 70 -4.525 -5.491 -13.446 1.00 1.00 H new ATOM 0 HD1 PHE A 70 -1.453 -6.412 -12.145 1.00 1.00 H new ATOM 0 HD2 PHE A 70 -3.215 -5.219 -15.877 1.00 1.00 H new ATOM 0 HE1 PHE A 70 0.767 -5.653 -12.950 1.00 1.00 H new ATOM 0 HE2 PHE A 70 -0.995 -4.461 -16.682 1.00 1.00 H new ATOM 0 HZ PHE A 70 0.994 -4.674 -15.218 1.00 1.00 H new ATOM 1115 N GLY A 71 -4.532 -6.122 -9.945 1.00 1.00 N ATOM 1116 CA GLY A 71 -5.607 -5.666 -9.018 1.00 1.00 C ATOM 1117 C GLY A 71 -6.318 -6.884 -8.428 1.00 1.00 C ATOM 1118 O GLY A 71 -7.453 -6.806 -7.993 1.00 1.00 O ATOM 0 H GLY A 71 -3.592 -6.134 -9.549 1.00 1.00 H new ATOM 0 HA2 GLY A 71 -5.181 -5.058 -8.220 1.00 1.00 H new ATOM 0 HA3 GLY A 71 -6.320 -5.038 -9.551 1.00 1.00 H new ATOM 1122 N LYS A 72 -5.658 -8.011 -8.399 1.00 1.00 N ATOM 1123 CA LYS A 72 -6.302 -9.232 -7.839 1.00 1.00 C ATOM 1124 C LYS A 72 -6.396 -9.105 -6.322 1.00 1.00 C ATOM 1125 O LYS A 72 -6.994 -9.923 -5.653 1.00 1.00 O ATOM 1126 CB LYS A 72 -5.378 -10.386 -8.227 1.00 1.00 C ATOM 1127 CG LYS A 72 -5.508 -11.513 -7.202 1.00 1.00 C ATOM 1128 CD LYS A 72 -4.883 -11.075 -5.876 1.00 1.00 C ATOM 1129 CE LYS A 72 -3.436 -10.637 -6.112 1.00 1.00 C ATOM 1130 NZ LYS A 72 -2.796 -10.684 -4.768 1.00 1.00 N ATOM 0 H LYS A 72 -4.704 -8.138 -8.738 1.00 1.00 H new ATOM 0 HA LYS A 72 -7.313 -9.385 -8.217 1.00 1.00 H new ATOM 0 HB2 LYS A 72 -5.635 -10.753 -9.221 1.00 1.00 H new ATOM 0 HB3 LYS A 72 -4.346 -10.039 -8.272 1.00 1.00 H new ATOM 0 HG2 LYS A 72 -6.558 -11.765 -7.055 1.00 1.00 H new ATOM 0 HG3 LYS A 72 -5.013 -12.412 -7.570 1.00 1.00 H new ATOM 0 HD2 LYS A 72 -5.457 -10.254 -5.445 1.00 1.00 H new ATOM 0 HD3 LYS A 72 -4.913 -11.896 -5.159 1.00 1.00 H new ATOM 0 HE2 LYS A 72 -2.932 -11.302 -6.813 1.00 1.00 H new ATOM 0 HE3 LYS A 72 -3.391 -9.634 -6.536 1.00 1.00 H new ATOM 0 HZ1 LYS A 72 -1.800 -10.396 -4.848 1.00 1.00 H new ATOM 0 HZ2 LYS A 72 -3.293 -10.036 -4.124 1.00 1.00 H new ATOM 0 HZ3 LYS A 72 -2.848 -11.653 -4.393 1.00 1.00 H new ATOM 1143 N TYR A 73 -5.832 -8.064 -5.782 1.00 1.00 N ATOM 1144 CA TYR A 73 -5.913 -7.857 -4.313 1.00 1.00 C ATOM 1145 C TYR A 73 -7.205 -7.108 -3.994 1.00 1.00 C ATOM 1146 O TYR A 73 -7.762 -7.231 -2.921 1.00 1.00 O ATOM 1147 CB TYR A 73 -4.691 -7.007 -3.960 1.00 1.00 C ATOM 1148 CG TYR A 73 -3.499 -7.905 -3.734 1.00 1.00 C ATOM 1149 CD1 TYR A 73 -3.511 -8.833 -2.686 1.00 1.00 C ATOM 1150 CD2 TYR A 73 -2.382 -7.810 -4.574 1.00 1.00 C ATOM 1151 CE1 TYR A 73 -2.404 -9.666 -2.477 1.00 1.00 C ATOM 1152 CE2 TYR A 73 -1.277 -8.644 -4.364 1.00 1.00 C ATOM 1153 CZ TYR A 73 -1.288 -9.571 -3.316 1.00 1.00 C ATOM 1154 OH TYR A 73 -0.199 -10.392 -3.109 1.00 1.00 O ATOM 0 H TYR A 73 -5.318 -7.347 -6.295 1.00 1.00 H new ATOM 0 HA TYR A 73 -5.920 -8.789 -3.748 1.00 1.00 H new ATOM 0 HB2 TYR A 73 -4.481 -6.302 -4.764 1.00 1.00 H new ATOM 0 HB3 TYR A 73 -4.891 -6.419 -3.065 1.00 1.00 H new ATOM 0 HD1 TYR A 73 -4.373 -8.907 -2.039 1.00 1.00 H new ATOM 0 HD2 TYR A 73 -2.373 -7.094 -5.383 1.00 1.00 H new ATOM 0 HE1 TYR A 73 -2.412 -10.382 -1.668 1.00 1.00 H new ATOM 0 HE2 TYR A 73 -0.416 -8.572 -5.011 1.00 1.00 H new ATOM 0 HH TYR A 73 0.489 -10.198 -3.780 1.00 1.00 H new ATOM 1164 N GLN A 74 -7.692 -6.334 -4.930 1.00 1.00 N ATOM 1165 CA GLN A 74 -8.956 -5.581 -4.693 1.00 1.00 C ATOM 1166 C GLN A 74 -10.149 -6.377 -5.226 1.00 1.00 C ATOM 1167 O GLN A 74 -11.161 -6.513 -4.568 1.00 1.00 O ATOM 1168 CB GLN A 74 -8.794 -4.273 -5.471 1.00 1.00 C ATOM 1169 CG GLN A 74 -8.087 -4.551 -6.800 1.00 1.00 C ATOM 1170 CD GLN A 74 -9.058 -4.310 -7.956 1.00 1.00 C ATOM 1171 OE1 GLN A 74 -8.699 -3.715 -8.952 1.00 1.00 O ATOM 1172 NE2 GLN A 74 -10.283 -4.751 -7.866 1.00 1.00 N ATOM 0 H GLN A 74 -7.268 -6.192 -5.847 1.00 1.00 H new ATOM 0 HA GLN A 74 -9.138 -5.403 -3.633 1.00 1.00 H new ATOM 0 HB2 GLN A 74 -9.770 -3.823 -5.654 1.00 1.00 H new ATOM 0 HB3 GLN A 74 -8.218 -3.558 -4.884 1.00 1.00 H new ATOM 0 HG2 GLN A 74 -7.216 -3.904 -6.903 1.00 1.00 H new ATOM 0 HG3 GLN A 74 -7.725 -5.579 -6.823 1.00 1.00 H new ATOM 0 HE21 GLN A 74 -10.585 -5.251 -7.030 1.00 1.00 H new ATOM 0 HE22 GLN A 74 -10.938 -4.596 -8.632 1.00 1.00 H new ATOM 1181 N GLY A 75 -10.037 -6.903 -6.416 1.00 1.00 N ATOM 1182 CA GLY A 75 -11.165 -7.690 -6.992 1.00 1.00 C ATOM 1183 C GLY A 75 -12.298 -6.741 -7.384 1.00 1.00 C ATOM 1184 O GLY A 75 -12.550 -6.503 -8.548 1.00 1.00 O ATOM 0 H GLY A 75 -9.214 -6.822 -7.013 1.00 1.00 H new ATOM 0 HA2 GLY A 75 -10.825 -8.248 -7.864 1.00 1.00 H new ATOM 0 HA3 GLY A 75 -11.522 -8.420 -6.265 1.00 1.00 H new ATOM 1188 N THR A 76 -12.978 -6.192 -6.415 1.00 1.00 N ATOM 1189 CA THR A 76 -14.092 -5.250 -6.717 1.00 1.00 C ATOM 1190 C THR A 76 -13.880 -3.936 -5.961 1.00 1.00 C ATOM 1191 O THR A 76 -14.613 -3.610 -5.048 1.00 1.00 O ATOM 1192 CB THR A 76 -15.354 -5.960 -6.223 1.00 1.00 C ATOM 1193 OG1 THR A 76 -15.507 -7.190 -6.918 1.00 1.00 O ATOM 1194 CG2 THR A 76 -16.573 -5.072 -6.478 1.00 1.00 C ATOM 0 H THR A 76 -12.809 -6.356 -5.423 1.00 1.00 H new ATOM 0 HA THR A 76 -14.156 -5.003 -7.777 1.00 1.00 H new ATOM 0 HB THR A 76 -15.267 -6.156 -5.154 1.00 1.00 H new ATOM 0 HG1 THR A 76 -16.274 -7.129 -7.525 1.00 1.00 H new ATOM 0 HG21 THR A 76 -17.472 -5.578 -6.126 1.00 1.00 H new ATOM 0 HG22 THR A 76 -16.455 -4.129 -5.944 1.00 1.00 H new ATOM 0 HG23 THR A 76 -16.662 -4.875 -7.546 1.00 1.00 H new ATOM 1202 N TRP A 77 -12.881 -3.184 -6.327 1.00 1.00 N ATOM 1203 CA TRP A 77 -12.621 -1.896 -5.621 1.00 1.00 C ATOM 1204 C TRP A 77 -13.632 -0.834 -6.056 1.00 1.00 C ATOM 1205 O TRP A 77 -14.258 -0.942 -7.093 1.00 1.00 O ATOM 1206 CB TRP A 77 -11.208 -1.488 -6.039 1.00 1.00 C ATOM 1207 CG TRP A 77 -10.962 -1.916 -7.451 1.00 1.00 C ATOM 1208 CD1 TRP A 77 -11.912 -2.362 -8.303 1.00 1.00 C ATOM 1209 CD2 TRP A 77 -9.705 -1.943 -8.186 1.00 1.00 C ATOM 1210 NE1 TRP A 77 -11.317 -2.666 -9.515 1.00 1.00 N ATOM 1211 CE2 TRP A 77 -9.958 -2.424 -9.492 1.00 1.00 C ATOM 1212 CE3 TRP A 77 -8.382 -1.603 -7.850 1.00 1.00 C ATOM 1213 CZ2 TRP A 77 -8.935 -2.561 -10.432 1.00 1.00 C ATOM 1214 CZ3 TRP A 77 -7.351 -1.739 -8.793 1.00 1.00 C ATOM 1215 CH2 TRP A 77 -7.627 -2.218 -10.082 1.00 1.00 C ATOM 0 H TRP A 77 -12.233 -3.404 -7.083 1.00 1.00 H new ATOM 0 HA TRP A 77 -12.714 -1.998 -4.540 1.00 1.00 H new ATOM 0 HB2 TRP A 77 -11.088 -0.408 -5.949 1.00 1.00 H new ATOM 0 HB3 TRP A 77 -10.474 -1.946 -5.376 1.00 1.00 H new ATOM 0 HD1 TRP A 77 -12.963 -2.464 -8.075 1.00 1.00 H new ATOM 0 HE1 TRP A 77 -11.821 -3.025 -10.326 1.00 1.00 H new ATOM 0 HE3 TRP A 77 -8.158 -1.235 -6.860 1.00 1.00 H new ATOM 0 HZ2 TRP A 77 -9.153 -2.930 -11.423 1.00 1.00 H new ATOM 0 HZ3 TRP A 77 -6.339 -1.473 -8.524 1.00 1.00 H new ATOM 0 HH2 TRP A 77 -6.829 -2.321 -10.803 1.00 1.00 H new ATOM 1226 N VAL A 78 -13.791 0.195 -5.271 1.00 1.00 N ATOM 1227 CA VAL A 78 -14.753 1.273 -5.632 1.00 1.00 C ATOM 1228 C VAL A 78 -14.136 2.641 -5.332 1.00 1.00 C ATOM 1229 O VAL A 78 -13.152 2.736 -4.627 1.00 1.00 O ATOM 1230 CB VAL A 78 -15.975 1.029 -4.746 1.00 1.00 C ATOM 1231 CG1 VAL A 78 -16.976 0.142 -5.489 1.00 1.00 C ATOM 1232 CG2 VAL A 78 -15.537 0.332 -3.456 1.00 1.00 C ATOM 0 H VAL A 78 -13.294 0.336 -4.392 1.00 1.00 H new ATOM 0 HA VAL A 78 -15.013 1.262 -6.691 1.00 1.00 H new ATOM 0 HB VAL A 78 -16.445 1.982 -4.504 1.00 1.00 H new ATOM 0 HG11 VAL A 78 -17.847 -0.032 -4.857 1.00 1.00 H new ATOM 0 HG12 VAL A 78 -17.288 0.637 -6.409 1.00 1.00 H new ATOM 0 HG13 VAL A 78 -16.507 -0.812 -5.731 1.00 1.00 H new ATOM 0 HG21 VAL A 78 -16.407 0.157 -2.823 1.00 1.00 H new ATOM 0 HG22 VAL A 78 -15.068 -0.621 -3.699 1.00 1.00 H new ATOM 0 HG23 VAL A 78 -14.824 0.963 -2.926 1.00 1.00 H new ATOM 1242 N PRO A 79 -14.740 3.659 -5.880 1.00 1.00 N ATOM 1243 CA PRO A 79 -14.241 5.038 -5.666 1.00 1.00 C ATOM 1244 C PRO A 79 -14.108 5.323 -4.168 1.00 1.00 C ATOM 1245 O PRO A 79 -15.085 5.376 -3.448 1.00 1.00 O ATOM 1246 CB PRO A 79 -15.316 5.921 -6.296 1.00 1.00 C ATOM 1247 CG PRO A 79 -16.061 5.032 -7.244 1.00 1.00 C ATOM 1248 CD PRO A 79 -15.927 3.620 -6.737 1.00 1.00 C ATOM 0 HA PRO A 79 -13.257 5.209 -6.101 1.00 1.00 H new ATOM 0 HB2 PRO A 79 -15.982 6.330 -5.536 1.00 1.00 H new ATOM 0 HB3 PRO A 79 -14.871 6.767 -6.819 1.00 1.00 H new ATOM 0 HG2 PRO A 79 -17.110 5.322 -7.298 1.00 1.00 H new ATOM 0 HG3 PRO A 79 -15.654 5.118 -8.251 1.00 1.00 H new ATOM 0 HD2 PRO A 79 -16.811 3.311 -6.179 1.00 1.00 H new ATOM 0 HD3 PRO A 79 -15.804 2.912 -7.557 1.00 1.00 H new ATOM 1256 N LEU A 80 -12.906 5.504 -3.692 1.00 1.00 N ATOM 1257 CA LEU A 80 -12.716 5.780 -2.239 1.00 1.00 C ATOM 1258 C LEU A 80 -13.662 6.894 -1.784 1.00 1.00 C ATOM 1259 O LEU A 80 -14.146 6.890 -0.669 1.00 1.00 O ATOM 1260 CB LEU A 80 -11.259 6.227 -2.109 1.00 1.00 C ATOM 1261 CG LEU A 80 -10.885 6.327 -0.629 1.00 1.00 C ATOM 1262 CD1 LEU A 80 -9.370 6.186 -0.474 1.00 1.00 C ATOM 1263 CD2 LEU A 80 -11.328 7.687 -0.083 1.00 1.00 C ATOM 0 H LEU A 80 -12.049 5.473 -4.245 1.00 1.00 H new ATOM 0 HA LEU A 80 -12.932 4.909 -1.621 1.00 1.00 H new ATOM 0 HB2 LEU A 80 -10.604 5.517 -2.613 1.00 1.00 H new ATOM 0 HB3 LEU A 80 -11.119 7.192 -2.596 1.00 1.00 H new ATOM 0 HG LEU A 80 -11.382 5.531 -0.074 1.00 1.00 H new ATOM 0 HD11 LEU A 80 -9.104 6.257 0.581 1.00 1.00 H new ATOM 0 HD12 LEU A 80 -9.053 5.219 -0.864 1.00 1.00 H new ATOM 0 HD13 LEU A 80 -8.872 6.981 -1.028 1.00 1.00 H new ATOM 0 HD21 LEU A 80 -11.062 7.760 0.972 1.00 1.00 H new ATOM 0 HD22 LEU A 80 -10.830 8.482 -0.638 1.00 1.00 H new ATOM 0 HD23 LEU A 80 -12.408 7.789 -0.193 1.00 1.00 H new ATOM 1275 N ASN A 81 -13.940 7.840 -2.641 1.00 1.00 N ATOM 1276 CA ASN A 81 -14.867 8.943 -2.255 1.00 1.00 C ATOM 1277 C ASN A 81 -16.257 8.372 -1.976 1.00 1.00 C ATOM 1278 O ASN A 81 -16.951 8.803 -1.076 1.00 1.00 O ATOM 1279 CB ASN A 81 -14.900 9.877 -3.465 1.00 1.00 C ATOM 1280 CG ASN A 81 -13.481 10.066 -4.004 1.00 1.00 C ATOM 1281 OD1 ASN A 81 -12.584 9.322 -3.661 1.00 1.00 O ATOM 1282 ND2 ASN A 81 -13.239 11.039 -4.839 1.00 1.00 N ATOM 0 H ASN A 81 -13.567 7.897 -3.589 1.00 1.00 H new ATOM 0 HA ASN A 81 -14.545 9.465 -1.354 1.00 1.00 H new ATOM 0 HB2 ASN A 81 -15.543 9.461 -4.241 1.00 1.00 H new ATOM 0 HB3 ASN A 81 -15.324 10.840 -3.182 1.00 1.00 H new ATOM 0 HD21 ASN A 81 -12.296 11.175 -5.204 1.00 1.00 H new ATOM 0 HD22 ASN A 81 -13.992 11.663 -5.127 1.00 1.00 H new ATOM 1289 N ILE A 82 -16.662 7.392 -2.737 1.00 1.00 N ATOM 1290 CA ILE A 82 -17.999 6.776 -2.515 1.00 1.00 C ATOM 1291 C ILE A 82 -17.836 5.480 -1.719 1.00 1.00 C ATOM 1292 O ILE A 82 -18.699 5.089 -0.958 1.00 1.00 O ATOM 1293 CB ILE A 82 -18.543 6.485 -3.913 1.00 1.00 C ATOM 1294 CG1 ILE A 82 -17.785 5.302 -4.519 1.00 1.00 C ATOM 1295 CG2 ILE A 82 -18.357 7.717 -4.801 1.00 1.00 C ATOM 1296 CD1 ILE A 82 -18.455 3.995 -4.095 1.00 1.00 C ATOM 0 H ILE A 82 -16.123 6.991 -3.504 1.00 1.00 H new ATOM 0 HA ILE A 82 -18.671 7.423 -1.951 1.00 1.00 H new ATOM 0 HB ILE A 82 -19.604 6.242 -3.846 1.00 1.00 H new ATOM 0 HG12 ILE A 82 -17.775 5.382 -5.606 1.00 1.00 H new ATOM 0 HG13 ILE A 82 -16.746 5.314 -4.189 1.00 1.00 H new ATOM 0 HG21 ILE A 82 -18.745 7.509 -5.798 1.00 1.00 H new ATOM 0 HG22 ILE A 82 -18.896 8.561 -4.370 1.00 1.00 H new ATOM 0 HG23 ILE A 82 -17.297 7.960 -4.868 1.00 1.00 H new ATOM 0 HD11 ILE A 82 -17.915 3.152 -4.527 1.00 1.00 H new ATOM 0 HD12 ILE A 82 -18.442 3.916 -3.008 1.00 1.00 H new ATOM 0 HD13 ILE A 82 -19.486 3.984 -4.447 1.00 1.00 H new ATOM 1308 N ALA A 83 -16.725 4.814 -1.887 1.00 1.00 N ATOM 1309 CA ALA A 83 -16.493 3.546 -1.140 1.00 1.00 C ATOM 1310 C ALA A 83 -16.503 3.820 0.365 1.00 1.00 C ATOM 1311 O ALA A 83 -17.280 3.249 1.103 1.00 1.00 O ATOM 1312 CB ALA A 83 -15.113 3.067 -1.590 1.00 1.00 C ATOM 0 H ALA A 83 -15.968 5.094 -2.510 1.00 1.00 H new ATOM 0 HA ALA A 83 -17.263 2.800 -1.336 1.00 1.00 H new ATOM 0 HB1 ALA A 83 -14.868 2.134 -1.082 1.00 1.00 H new ATOM 0 HB2 ALA A 83 -15.118 2.903 -2.668 1.00 1.00 H new ATOM 0 HB3 ALA A 83 -14.367 3.822 -1.341 1.00 1.00 H new ATOM 1318 N LYS A 84 -15.644 4.689 0.828 1.00 1.00 N ATOM 1319 CA LYS A 84 -15.609 4.992 2.287 1.00 1.00 C ATOM 1320 C LYS A 84 -16.992 5.440 2.764 1.00 1.00 C ATOM 1321 O LYS A 84 -17.356 5.249 3.908 1.00 1.00 O ATOM 1322 CB LYS A 84 -14.596 6.128 2.431 1.00 1.00 C ATOM 1323 CG LYS A 84 -15.234 7.442 1.976 1.00 1.00 C ATOM 1324 CD LYS A 84 -14.188 8.558 2.013 1.00 1.00 C ATOM 1325 CE LYS A 84 -12.953 8.073 2.776 1.00 1.00 C ATOM 1326 NZ LYS A 84 -12.839 8.990 3.944 1.00 1.00 N ATOM 0 H LYS A 84 -14.968 5.200 0.261 1.00 1.00 H new ATOM 0 HA LYS A 84 -15.333 4.123 2.885 1.00 1.00 H new ATOM 0 HB2 LYS A 84 -14.270 6.210 3.468 1.00 1.00 H new ATOM 0 HB3 LYS A 84 -13.709 5.916 1.834 1.00 1.00 H new ATOM 0 HG2 LYS A 84 -15.631 7.335 0.967 1.00 1.00 H new ATOM 0 HG3 LYS A 84 -16.073 7.694 2.624 1.00 1.00 H new ATOM 0 HD2 LYS A 84 -13.912 8.847 0.999 1.00 1.00 H new ATOM 0 HD3 LYS A 84 -14.602 9.444 2.495 1.00 1.00 H new ATOM 0 HE2 LYS A 84 -13.068 7.038 3.097 1.00 1.00 H new ATOM 0 HE3 LYS A 84 -12.061 8.116 2.151 1.00 1.00 H new ATOM 0 HZ1 LYS A 84 -12.014 8.721 4.517 1.00 1.00 H new ATOM 0 HZ2 LYS A 84 -12.724 9.967 3.608 1.00 1.00 H new ATOM 0 HZ3 LYS A 84 -13.700 8.922 4.524 1.00 1.00 H new ATOM 1339 N GLN A 85 -17.769 6.029 1.895 1.00 1.00 N ATOM 1340 CA GLN A 85 -19.130 6.479 2.303 1.00 1.00 C ATOM 1341 C GLN A 85 -20.040 5.265 2.494 1.00 1.00 C ATOM 1342 O GLN A 85 -20.894 5.245 3.359 1.00 1.00 O ATOM 1343 CB GLN A 85 -19.624 7.347 1.147 1.00 1.00 C ATOM 1344 CG GLN A 85 -21.049 7.819 1.435 1.00 1.00 C ATOM 1345 CD GLN A 85 -21.792 8.038 0.115 1.00 1.00 C ATOM 1346 OE1 GLN A 85 -22.413 7.131 -0.403 1.00 1.00 O ATOM 1347 NE2 GLN A 85 -21.755 9.212 -0.455 1.00 1.00 N ATOM 0 H GLN A 85 -17.521 6.217 0.924 1.00 1.00 H new ATOM 0 HA GLN A 85 -19.125 7.028 3.245 1.00 1.00 H new ATOM 0 HB2 GLN A 85 -18.965 8.205 1.016 1.00 1.00 H new ATOM 0 HB3 GLN A 85 -19.599 6.780 0.216 1.00 1.00 H new ATOM 0 HG2 GLN A 85 -21.573 7.080 2.041 1.00 1.00 H new ATOM 0 HG3 GLN A 85 -21.027 8.745 2.010 1.00 1.00 H new ATOM 0 HE21 GLN A 85 -21.234 9.974 -0.021 1.00 1.00 H new ATOM 0 HE22 GLN A 85 -22.247 9.368 -1.335 1.00 1.00 H new ATOM 1356 N LEU A 86 -19.860 4.248 1.695 1.00 1.00 N ATOM 1357 CA LEU A 86 -20.708 3.031 1.832 1.00 1.00 C ATOM 1358 C LEU A 86 -20.140 2.117 2.921 1.00 1.00 C ATOM 1359 O LEU A 86 -20.869 1.473 3.648 1.00 1.00 O ATOM 1360 CB LEU A 86 -20.642 2.346 0.471 1.00 1.00 C ATOM 1361 CG LEU A 86 -21.965 1.629 0.196 1.00 1.00 C ATOM 1362 CD1 LEU A 86 -22.950 1.919 1.329 1.00 1.00 C ATOM 1363 CD2 LEU A 86 -22.550 2.130 -1.128 1.00 1.00 C ATOM 0 H LEU A 86 -19.161 4.208 0.953 1.00 1.00 H new ATOM 0 HA LEU A 86 -21.733 3.270 2.117 1.00 1.00 H new ATOM 0 HB2 LEU A 86 -20.446 3.082 -0.309 1.00 1.00 H new ATOM 0 HB3 LEU A 86 -19.818 1.632 0.451 1.00 1.00 H new ATOM 0 HG LEU A 86 -21.789 0.555 0.135 1.00 1.00 H new ATOM 0 HD11 LEU A 86 -23.892 1.408 1.132 1.00 1.00 H new ATOM 0 HD12 LEU A 86 -22.535 1.564 2.272 1.00 1.00 H new ATOM 0 HD13 LEU A 86 -23.126 2.993 1.392 1.00 1.00 H new ATOM 0 HD21 LEU A 86 -23.493 1.620 -1.325 1.00 1.00 H new ATOM 0 HD22 LEU A 86 -22.725 3.204 -1.065 1.00 1.00 H new ATOM 0 HD23 LEU A 86 -21.849 1.923 -1.937 1.00 1.00 H new ATOM 1375 N ALA A 87 -18.841 2.061 3.040 1.00 1.00 N ATOM 1376 CA ALA A 87 -18.225 1.194 4.084 1.00 1.00 C ATOM 1377 C ALA A 87 -18.546 1.743 5.477 1.00 1.00 C ATOM 1378 O ALA A 87 -18.989 1.024 6.353 1.00 1.00 O ATOM 1379 CB ALA A 87 -16.720 1.259 3.816 1.00 1.00 C ATOM 0 H ALA A 87 -18.180 2.578 2.460 1.00 1.00 H new ATOM 0 HA ALA A 87 -18.600 0.171 4.049 1.00 1.00 H new ATOM 0 HB1 ALA A 87 -16.194 0.644 4.546 1.00 1.00 H new ATOM 0 HB2 ALA A 87 -16.513 0.888 2.812 1.00 1.00 H new ATOM 0 HB3 ALA A 87 -16.380 2.291 3.899 1.00 1.00 H new ATOM 1385 N GLU A 88 -18.347 3.019 5.676 1.00 1.00 N ATOM 1386 CA GLU A 88 -18.656 3.629 6.997 1.00 1.00 C ATOM 1387 C GLU A 88 -20.089 3.282 7.400 1.00 1.00 C ATOM 1388 O GLU A 88 -20.445 3.290 8.560 1.00 1.00 O ATOM 1389 CB GLU A 88 -18.502 5.129 6.778 1.00 1.00 C ATOM 1390 CG GLU A 88 -19.872 5.805 6.859 1.00 1.00 C ATOM 1391 CD GLU A 88 -19.691 7.322 6.911 1.00 1.00 C ATOM 1392 OE1 GLU A 88 -19.174 7.871 5.951 1.00 1.00 O ATOM 1393 OE2 GLU A 88 -20.071 7.911 7.910 1.00 1.00 O ATOM 0 H GLU A 88 -17.982 3.665 4.976 1.00 1.00 H new ATOM 0 HA GLU A 88 -18.004 3.269 7.793 1.00 1.00 H new ATOM 0 HB2 GLU A 88 -17.833 5.549 7.529 1.00 1.00 H new ATOM 0 HB3 GLU A 88 -18.049 5.320 5.805 1.00 1.00 H new ATOM 0 HG2 GLU A 88 -20.477 5.530 5.995 1.00 1.00 H new ATOM 0 HG3 GLU A 88 -20.407 5.462 7.744 1.00 1.00 H new ATOM 1400 N LYS A 89 -20.906 2.966 6.436 1.00 1.00 N ATOM 1401 CA LYS A 89 -22.317 2.602 6.739 1.00 1.00 C ATOM 1402 C LYS A 89 -22.352 1.273 7.498 1.00 1.00 C ATOM 1403 O LYS A 89 -22.052 1.208 8.673 1.00 1.00 O ATOM 1404 CB LYS A 89 -22.995 2.463 5.377 1.00 1.00 C ATOM 1405 CG LYS A 89 -24.427 2.995 5.462 1.00 1.00 C ATOM 1406 CD LYS A 89 -24.947 3.298 4.055 1.00 1.00 C ATOM 1407 CE LYS A 89 -23.987 4.260 3.352 1.00 1.00 C ATOM 1408 NZ LYS A 89 -24.776 4.832 2.225 1.00 1.00 N ATOM 0 H LYS A 89 -20.656 2.944 5.447 1.00 1.00 H new ATOM 0 HA LYS A 89 -22.817 3.344 7.361 1.00 1.00 H new ATOM 0 HB2 LYS A 89 -22.435 3.015 4.622 1.00 1.00 H new ATOM 0 HB3 LYS A 89 -23.002 1.418 5.068 1.00 1.00 H new ATOM 0 HG2 LYS A 89 -25.070 2.261 5.948 1.00 1.00 H new ATOM 0 HG3 LYS A 89 -24.455 3.897 6.073 1.00 1.00 H new ATOM 0 HD2 LYS A 89 -25.037 2.375 3.483 1.00 1.00 H new ATOM 0 HD3 LYS A 89 -25.943 3.737 4.111 1.00 1.00 H new ATOM 0 HE2 LYS A 89 -23.643 5.041 4.030 1.00 1.00 H new ATOM 0 HE3 LYS A 89 -23.101 3.739 2.990 1.00 1.00 H new ATOM 0 HZ1 LYS A 89 -24.186 5.503 1.693 1.00 1.00 H new ATOM 0 HZ2 LYS A 89 -25.084 4.066 1.593 1.00 1.00 H new ATOM 0 HZ3 LYS A 89 -25.610 5.327 2.601 1.00 1.00 H new ATOM 1421 N PHE A 90 -22.705 0.210 6.830 1.00 1.00 N ATOM 1422 CA PHE A 90 -22.748 -1.117 7.505 1.00 1.00 C ATOM 1423 C PHE A 90 -21.621 -2.004 6.972 1.00 1.00 C ATOM 1424 O PHE A 90 -21.609 -3.200 7.181 1.00 1.00 O ATOM 1425 CB PHE A 90 -24.112 -1.704 7.143 1.00 1.00 C ATOM 1426 CG PHE A 90 -25.068 -1.512 8.295 1.00 1.00 C ATOM 1427 CD1 PHE A 90 -24.673 -1.852 9.595 1.00 1.00 C ATOM 1428 CD2 PHE A 90 -26.348 -0.995 8.065 1.00 1.00 C ATOM 1429 CE1 PHE A 90 -25.560 -1.674 10.665 1.00 1.00 C ATOM 1430 CE2 PHE A 90 -27.234 -0.818 9.134 1.00 1.00 C ATOM 1431 CZ PHE A 90 -26.840 -1.157 10.434 1.00 1.00 C ATOM 0 H PHE A 90 -22.966 0.203 5.844 1.00 1.00 H new ATOM 0 HA PHE A 90 -22.616 -1.041 8.584 1.00 1.00 H new ATOM 0 HB2 PHE A 90 -24.502 -1.218 6.249 1.00 1.00 H new ATOM 0 HB3 PHE A 90 -24.013 -2.765 6.912 1.00 1.00 H new ATOM 0 HD1 PHE A 90 -23.685 -2.251 9.773 1.00 1.00 H new ATOM 0 HD2 PHE A 90 -26.652 -0.733 7.063 1.00 1.00 H new ATOM 0 HE1 PHE A 90 -25.256 -1.936 11.668 1.00 1.00 H new ATOM 0 HE2 PHE A 90 -28.222 -0.420 8.956 1.00 1.00 H new ATOM 0 HZ PHE A 90 -27.524 -1.020 11.259 1.00 1.00 H new ATOM 1441 N SER A 91 -20.684 -1.427 6.271 1.00 1.00 N ATOM 1442 CA SER A 91 -19.571 -2.238 5.710 1.00 1.00 C ATOM 1443 C SER A 91 -18.573 -2.624 6.803 1.00 1.00 C ATOM 1444 O SER A 91 -18.869 -3.409 7.682 1.00 1.00 O ATOM 1445 CB SER A 91 -18.906 -1.334 4.676 1.00 1.00 C ATOM 1446 OG SER A 91 -19.905 -0.756 3.845 1.00 1.00 O ATOM 0 H SER A 91 -20.642 -0.429 6.063 1.00 1.00 H new ATOM 0 HA SER A 91 -19.929 -3.171 5.274 1.00 1.00 H new ATOM 0 HB2 SER A 91 -18.334 -0.551 5.175 1.00 1.00 H new ATOM 0 HB3 SER A 91 -18.203 -1.908 4.073 1.00 1.00 H new ATOM 0 HG SER A 91 -20.300 0.018 4.298 1.00 1.00 H new ATOM 1452 N VAL A 92 -17.392 -2.077 6.751 1.00 1.00 N ATOM 1453 CA VAL A 92 -16.355 -2.396 7.774 1.00 1.00 C ATOM 1454 C VAL A 92 -15.927 -1.117 8.498 1.00 1.00 C ATOM 1455 O VAL A 92 -14.913 -1.078 9.166 1.00 1.00 O ATOM 1456 CB VAL A 92 -15.186 -2.985 6.984 1.00 1.00 C ATOM 1457 CG1 VAL A 92 -14.018 -3.265 7.931 1.00 1.00 C ATOM 1458 CG2 VAL A 92 -15.627 -4.291 6.320 1.00 1.00 C ATOM 0 H VAL A 92 -17.096 -1.414 6.035 1.00 1.00 H new ATOM 0 HA VAL A 92 -16.718 -3.088 8.534 1.00 1.00 H new ATOM 0 HB VAL A 92 -14.871 -2.275 6.219 1.00 1.00 H new ATOM 0 HG11 VAL A 92 -13.185 -3.685 7.367 1.00 1.00 H new ATOM 0 HG12 VAL A 92 -13.703 -2.335 8.405 1.00 1.00 H new ATOM 0 HG13 VAL A 92 -14.332 -3.975 8.696 1.00 1.00 H new ATOM 0 HG21 VAL A 92 -14.794 -4.712 5.756 1.00 1.00 H new ATOM 0 HG22 VAL A 92 -15.942 -5.000 7.086 1.00 1.00 H new ATOM 0 HG23 VAL A 92 -16.459 -4.093 5.644 1.00 1.00 H new ATOM 1468 N TYR A 93 -16.692 -0.070 8.363 1.00 1.00 N ATOM 1469 CA TYR A 93 -16.331 1.212 9.035 1.00 1.00 C ATOM 1470 C TYR A 93 -15.553 0.936 10.323 1.00 1.00 C ATOM 1471 O TYR A 93 -14.726 1.723 10.740 1.00 1.00 O ATOM 1472 CB TYR A 93 -17.669 1.884 9.350 1.00 1.00 C ATOM 1473 CG TYR A 93 -18.248 1.285 10.610 1.00 1.00 C ATOM 1474 CD1 TYR A 93 -17.489 1.262 11.787 1.00 1.00 C ATOM 1475 CD2 TYR A 93 -19.543 0.754 10.602 1.00 1.00 C ATOM 1476 CE1 TYR A 93 -18.026 0.708 12.956 1.00 1.00 C ATOM 1477 CE2 TYR A 93 -20.079 0.200 11.770 1.00 1.00 C ATOM 1478 CZ TYR A 93 -19.321 0.176 12.946 1.00 1.00 C ATOM 1479 OH TYR A 93 -19.850 -0.370 14.098 1.00 1.00 O ATOM 0 H TYR A 93 -17.553 -0.045 7.816 1.00 1.00 H new ATOM 0 HA TYR A 93 -15.695 1.840 8.411 1.00 1.00 H new ATOM 0 HB2 TYR A 93 -17.528 2.958 9.476 1.00 1.00 H new ATOM 0 HB3 TYR A 93 -18.361 1.749 8.519 1.00 1.00 H new ATOM 0 HD1 TYR A 93 -16.490 1.671 11.793 1.00 1.00 H new ATOM 0 HD2 TYR A 93 -20.128 0.772 9.695 1.00 1.00 H new ATOM 0 HE1 TYR A 93 -17.442 0.691 13.864 1.00 1.00 H new ATOM 0 HE2 TYR A 93 -21.078 -0.209 11.764 1.00 1.00 H new ATOM 0 HH TYR A 93 -20.758 -0.693 13.920 1.00 1.00 H new ATOM 1489 N ASP A 94 -15.809 -0.175 10.959 1.00 1.00 N ATOM 1490 CA ASP A 94 -15.082 -0.495 12.221 1.00 1.00 C ATOM 1491 C ASP A 94 -13.802 -1.281 11.915 1.00 1.00 C ATOM 1492 O ASP A 94 -12.717 -0.892 12.297 1.00 1.00 O ATOM 1493 CB ASP A 94 -16.056 -1.351 13.031 1.00 1.00 C ATOM 1494 CG ASP A 94 -15.283 -2.139 14.090 1.00 1.00 C ATOM 1495 OD1 ASP A 94 -14.653 -3.119 13.729 1.00 1.00 O ATOM 1496 OD2 ASP A 94 -15.335 -1.749 15.245 1.00 1.00 O ATOM 0 H ASP A 94 -16.489 -0.874 10.660 1.00 1.00 H new ATOM 0 HA ASP A 94 -14.779 0.402 12.761 1.00 1.00 H new ATOM 0 HB2 ASP A 94 -16.804 -0.717 13.508 1.00 1.00 H new ATOM 0 HB3 ASP A 94 -16.591 -2.035 12.372 1.00 1.00 H new ATOM 1501 N GLN A 95 -13.923 -2.387 11.234 1.00 1.00 N ATOM 1502 CA GLN A 95 -12.716 -3.201 10.909 1.00 1.00 C ATOM 1503 C GLN A 95 -11.735 -2.391 10.055 1.00 1.00 C ATOM 1504 O GLN A 95 -10.554 -2.675 10.015 1.00 1.00 O ATOM 1505 CB GLN A 95 -13.247 -4.398 10.121 1.00 1.00 C ATOM 1506 CG GLN A 95 -12.896 -5.692 10.858 1.00 1.00 C ATOM 1507 CD GLN A 95 -13.165 -6.889 9.945 1.00 1.00 C ATOM 1508 OE1 GLN A 95 -12.245 -7.485 9.421 1.00 1.00 O ATOM 1509 NE2 GLN A 95 -14.395 -7.268 9.731 1.00 1.00 N ATOM 0 H GLN A 95 -14.806 -2.763 10.888 1.00 1.00 H new ATOM 0 HA GLN A 95 -12.175 -3.506 11.805 1.00 1.00 H new ATOM 0 HB2 GLN A 95 -14.327 -4.317 10.001 1.00 1.00 H new ATOM 0 HB3 GLN A 95 -12.815 -4.408 9.120 1.00 1.00 H new ATOM 0 HG2 GLN A 95 -11.848 -5.679 11.159 1.00 1.00 H new ATOM 0 HG3 GLN A 95 -13.488 -5.776 11.769 1.00 1.00 H new ATOM 0 HE21 GLN A 95 -15.167 -6.767 10.171 1.00 1.00 H new ATOM 0 HE22 GLN A 95 -14.585 -8.065 9.123 1.00 1.00 H new ATOM 1518 N LEU A 96 -12.213 -1.388 9.370 1.00 1.00 N ATOM 1519 CA LEU A 96 -11.301 -0.570 8.518 1.00 1.00 C ATOM 1520 C LEU A 96 -10.673 0.558 9.341 1.00 1.00 C ATOM 1521 O LEU A 96 -10.240 1.559 8.806 1.00 1.00 O ATOM 1522 CB LEU A 96 -12.194 0.004 7.419 1.00 1.00 C ATOM 1523 CG LEU A 96 -13.425 -0.886 7.245 1.00 1.00 C ATOM 1524 CD1 LEU A 96 -14.674 -0.011 7.110 1.00 1.00 C ATOM 1525 CD2 LEU A 96 -13.262 -1.737 5.983 1.00 1.00 C ATOM 0 H LEU A 96 -13.191 -1.100 9.363 1.00 1.00 H new ATOM 0 HA LEU A 96 -10.480 -1.160 8.111 1.00 1.00 H new ATOM 0 HB2 LEU A 96 -12.499 1.018 7.676 1.00 1.00 H new ATOM 0 HB3 LEU A 96 -11.641 0.065 6.482 1.00 1.00 H new ATOM 0 HG LEU A 96 -13.529 -1.536 8.114 1.00 1.00 H new ATOM 0 HD11 LEU A 96 -15.551 -0.646 6.986 1.00 1.00 H new ATOM 0 HD12 LEU A 96 -14.790 0.598 8.007 1.00 1.00 H new ATOM 0 HD13 LEU A 96 -14.571 0.639 6.241 1.00 1.00 H new ATOM 0 HD21 LEU A 96 -14.139 -2.372 5.857 1.00 1.00 H new ATOM 0 HD22 LEU A 96 -13.158 -1.085 5.116 1.00 1.00 H new ATOM 0 HD23 LEU A 96 -12.373 -2.360 6.077 1.00 1.00 H new ATOM 1537 N LYS A 97 -10.615 0.405 10.635 1.00 1.00 N ATOM 1538 CA LYS A 97 -10.007 1.471 11.481 1.00 1.00 C ATOM 1539 C LYS A 97 -8.591 1.783 10.990 1.00 1.00 C ATOM 1540 O LYS A 97 -8.259 2.924 10.731 1.00 1.00 O ATOM 1541 CB LYS A 97 -9.967 0.884 12.893 1.00 1.00 C ATOM 1542 CG LYS A 97 -11.395 0.681 13.404 1.00 1.00 C ATOM 1543 CD LYS A 97 -11.469 1.071 14.881 1.00 1.00 C ATOM 1544 CE LYS A 97 -12.281 0.023 15.646 1.00 1.00 C ATOM 1545 NZ LYS A 97 -11.299 -1.039 16.001 1.00 1.00 N ATOM 0 H LYS A 97 -10.961 -0.409 11.142 1.00 1.00 H new ATOM 0 HA LYS A 97 -10.572 2.402 11.445 1.00 1.00 H new ATOM 0 HB2 LYS A 97 -9.433 -0.066 12.888 1.00 1.00 H new ATOM 0 HB3 LYS A 97 -9.422 1.552 13.560 1.00 1.00 H new ATOM 0 HG2 LYS A 97 -12.090 1.286 12.822 1.00 1.00 H new ATOM 0 HG3 LYS A 97 -11.694 -0.359 13.276 1.00 1.00 H new ATOM 0 HD2 LYS A 97 -10.465 1.145 15.299 1.00 1.00 H new ATOM 0 HD3 LYS A 97 -11.931 2.052 14.986 1.00 1.00 H new ATOM 0 HE2 LYS A 97 -12.739 0.452 16.538 1.00 1.00 H new ATOM 0 HE3 LYS A 97 -13.089 -0.375 15.033 1.00 1.00 H new ATOM 0 HZ1 LYS A 97 -11.781 -1.795 16.529 1.00 1.00 H new ATOM 0 HZ2 LYS A 97 -10.885 -1.433 15.132 1.00 1.00 H new ATOM 0 HZ3 LYS A 97 -10.545 -0.632 16.590 1.00 1.00 H new ATOM 1558 N PRO A 98 -7.804 0.749 10.876 1.00 1.00 N ATOM 1559 CA PRO A 98 -6.405 0.903 10.407 1.00 1.00 C ATOM 1560 C PRO A 98 -6.380 1.356 8.945 1.00 1.00 C ATOM 1561 O PRO A 98 -5.822 2.381 8.611 1.00 1.00 O ATOM 1562 CB PRO A 98 -5.810 -0.498 10.551 1.00 1.00 C ATOM 1563 CG PRO A 98 -6.980 -1.427 10.622 1.00 1.00 C ATOM 1564 CD PRO A 98 -8.143 -0.645 11.173 1.00 1.00 C ATOM 0 HA PRO A 98 -5.849 1.652 10.971 1.00 1.00 H new ATOM 0 HB2 PRO A 98 -5.168 -0.740 9.704 1.00 1.00 H new ATOM 0 HB3 PRO A 98 -5.195 -0.572 11.448 1.00 1.00 H new ATOM 0 HG2 PRO A 98 -7.217 -1.822 9.634 1.00 1.00 H new ATOM 0 HG3 PRO A 98 -6.754 -2.281 11.261 1.00 1.00 H new ATOM 0 HD2 PRO A 98 -9.081 -0.937 10.700 1.00 1.00 H new ATOM 0 HD3 PRO A 98 -8.262 -0.808 12.244 1.00 1.00 H new ATOM 1572 N LEU A 99 -6.983 0.598 8.068 1.00 1.00 N ATOM 1573 CA LEU A 99 -6.993 0.986 6.629 1.00 1.00 C ATOM 1574 C LEU A 99 -7.292 2.482 6.488 1.00 1.00 C ATOM 1575 O LEU A 99 -6.753 3.153 5.632 1.00 1.00 O ATOM 1576 CB LEU A 99 -8.113 0.155 6.001 1.00 1.00 C ATOM 1577 CG LEU A 99 -8.014 0.233 4.477 1.00 1.00 C ATOM 1578 CD1 LEU A 99 -7.574 1.639 4.064 1.00 1.00 C ATOM 1579 CD2 LEU A 99 -6.986 -0.787 3.981 1.00 1.00 C ATOM 0 H LEU A 99 -7.468 -0.272 8.286 1.00 1.00 H new ATOM 0 HA LEU A 99 -6.033 0.806 6.146 1.00 1.00 H new ATOM 0 HB2 LEU A 99 -8.038 -0.882 6.328 1.00 1.00 H new ATOM 0 HB3 LEU A 99 -9.084 0.524 6.332 1.00 1.00 H new ATOM 0 HG LEU A 99 -8.988 0.014 4.039 1.00 1.00 H new ATOM 0 HD11 LEU A 99 -7.504 1.694 2.978 1.00 1.00 H new ATOM 0 HD12 LEU A 99 -8.304 2.367 4.418 1.00 1.00 H new ATOM 0 HD13 LEU A 99 -6.600 1.859 4.502 1.00 1.00 H new ATOM 0 HD21 LEU A 99 -6.914 -0.733 2.895 1.00 1.00 H new ATOM 0 HD22 LEU A 99 -6.013 -0.566 4.420 1.00 1.00 H new ATOM 0 HD23 LEU A 99 -7.297 -1.790 4.274 1.00 1.00 H new ATOM 1591 N PHE A 100 -8.148 3.007 7.321 1.00 1.00 N ATOM 1592 CA PHE A 100 -8.479 4.458 7.234 1.00 1.00 C ATOM 1593 C PHE A 100 -7.459 5.283 8.023 1.00 1.00 C ATOM 1594 O PHE A 100 -7.276 6.459 7.780 1.00 1.00 O ATOM 1595 CB PHE A 100 -9.869 4.584 7.857 1.00 1.00 C ATOM 1596 CG PHE A 100 -10.914 4.193 6.839 1.00 1.00 C ATOM 1597 CD1 PHE A 100 -11.051 4.929 5.657 1.00 1.00 C ATOM 1598 CD2 PHE A 100 -11.745 3.092 7.078 1.00 1.00 C ATOM 1599 CE1 PHE A 100 -12.020 4.566 4.714 1.00 1.00 C ATOM 1600 CE2 PHE A 100 -12.713 2.728 6.135 1.00 1.00 C ATOM 1601 CZ PHE A 100 -12.850 3.465 4.952 1.00 1.00 C ATOM 0 H PHE A 100 -8.633 2.495 8.058 1.00 1.00 H new ATOM 0 HA PHE A 100 -8.457 4.826 6.208 1.00 1.00 H new ATOM 0 HB2 PHE A 100 -9.945 3.944 8.736 1.00 1.00 H new ATOM 0 HB3 PHE A 100 -10.038 5.607 8.192 1.00 1.00 H new ATOM 0 HD1 PHE A 100 -10.409 5.778 5.472 1.00 1.00 H new ATOM 0 HD2 PHE A 100 -11.639 2.523 7.990 1.00 1.00 H new ATOM 0 HE1 PHE A 100 -12.127 5.136 3.803 1.00 1.00 H new ATOM 0 HE2 PHE A 100 -13.354 1.879 6.320 1.00 1.00 H new ATOM 0 HZ PHE A 100 -13.596 3.184 4.224 1.00 1.00 H new ATOM 1611 N ASP A 101 -6.793 4.676 8.967 1.00 1.00 N ATOM 1612 CA ASP A 101 -5.787 5.427 9.770 1.00 1.00 C ATOM 1613 C ASP A 101 -4.546 5.725 8.923 1.00 1.00 C ATOM 1614 O ASP A 101 -3.951 6.779 9.026 1.00 1.00 O ATOM 1615 CB ASP A 101 -5.432 4.496 10.931 1.00 1.00 C ATOM 1616 CG ASP A 101 -6.433 4.698 12.071 1.00 1.00 C ATOM 1617 OD1 ASP A 101 -6.660 5.839 12.438 1.00 1.00 O ATOM 1618 OD2 ASP A 101 -6.954 3.708 12.557 1.00 1.00 O ATOM 0 H ASP A 101 -6.902 3.693 9.217 1.00 1.00 H new ATOM 0 HA ASP A 101 -6.171 6.386 10.118 1.00 1.00 H new ATOM 0 HB2 ASP A 101 -5.449 3.458 10.597 1.00 1.00 H new ATOM 0 HB3 ASP A 101 -4.420 4.702 11.280 1.00 1.00 H new ATOM 1623 N PHE A 102 -4.152 4.802 8.088 1.00 1.00 N ATOM 1624 CA PHE A 102 -2.951 5.034 7.236 1.00 1.00 C ATOM 1625 C PHE A 102 -1.673 4.766 8.038 1.00 1.00 C ATOM 1626 O PHE A 102 -1.470 5.318 9.102 1.00 1.00 O ATOM 1627 CB PHE A 102 -3.030 6.506 6.829 1.00 1.00 C ATOM 1628 CG PHE A 102 -2.057 6.772 5.706 1.00 1.00 C ATOM 1629 CD1 PHE A 102 -0.736 6.318 5.802 1.00 1.00 C ATOM 1630 CD2 PHE A 102 -2.476 7.470 4.567 1.00 1.00 C ATOM 1631 CE1 PHE A 102 0.166 6.564 4.761 1.00 1.00 C ATOM 1632 CE2 PHE A 102 -1.573 7.717 3.525 1.00 1.00 C ATOM 1633 CZ PHE A 102 -0.252 7.263 3.622 1.00 1.00 C ATOM 0 H PHE A 102 -4.609 3.899 7.959 1.00 1.00 H new ATOM 0 HA PHE A 102 -2.927 4.373 6.369 1.00 1.00 H new ATOM 0 HB2 PHE A 102 -4.043 6.753 6.512 1.00 1.00 H new ATOM 0 HB3 PHE A 102 -2.799 7.143 7.683 1.00 1.00 H new ATOM 0 HD1 PHE A 102 -0.413 5.778 6.680 1.00 1.00 H new ATOM 0 HD2 PHE A 102 -3.496 7.818 4.492 1.00 1.00 H new ATOM 0 HE1 PHE A 102 1.185 6.215 4.836 1.00 1.00 H new ATOM 0 HE2 PHE A 102 -1.896 8.257 2.647 1.00 1.00 H new ATOM 0 HZ PHE A 102 0.444 7.452 2.818 1.00 1.00 H new ATOM 1643 N THR A 103 -0.813 3.924 7.537 1.00 1.00 N ATOM 1644 CA THR A 103 0.450 3.623 8.272 1.00 1.00 C ATOM 1645 C THR A 103 1.481 4.729 8.031 1.00 1.00 C ATOM 1646 O THR A 103 2.217 4.705 7.065 1.00 1.00 O ATOM 1647 CB THR A 103 0.940 2.297 7.688 1.00 1.00 C ATOM 1648 OG1 THR A 103 0.171 1.974 6.539 1.00 1.00 O ATOM 1649 CG2 THR A 103 0.789 1.190 8.733 1.00 1.00 C ATOM 0 H THR A 103 -0.929 3.431 6.652 1.00 1.00 H new ATOM 0 HA THR A 103 0.296 3.563 9.349 1.00 1.00 H new ATOM 0 HB THR A 103 1.990 2.389 7.409 1.00 1.00 H new ATOM 0 HG1 THR A 103 0.675 1.353 5.972 1.00 1.00 H new ATOM 0 HG21 THR A 103 1.138 0.246 8.316 1.00 1.00 H new ATOM 0 HG22 THR A 103 1.381 1.438 9.614 1.00 1.00 H new ATOM 0 HG23 THR A 103 -0.260 1.096 9.015 1.00 1.00 H new ATOM 1657 N GLN A 104 1.539 5.699 8.903 1.00 1.00 N ATOM 1658 CA GLN A 104 2.523 6.805 8.723 1.00 1.00 C ATOM 1659 C GLN A 104 3.855 6.440 9.386 1.00 1.00 C ATOM 1660 O GLN A 104 3.890 5.823 10.432 1.00 1.00 O ATOM 1661 CB GLN A 104 1.892 8.012 9.417 1.00 1.00 C ATOM 1662 CG GLN A 104 1.021 8.778 8.418 1.00 1.00 C ATOM 1663 CD GLN A 104 1.650 10.144 8.135 1.00 1.00 C ATOM 1664 OE1 GLN A 104 2.851 10.255 7.994 1.00 1.00 O ATOM 1665 NE2 GLN A 104 0.882 11.196 8.046 1.00 1.00 N ATOM 0 H GLN A 104 0.948 5.774 9.731 1.00 1.00 H new ATOM 0 HA GLN A 104 2.735 7.003 7.672 1.00 1.00 H new ATOM 0 HB2 GLN A 104 1.290 7.684 10.264 1.00 1.00 H new ATOM 0 HB3 GLN A 104 2.670 8.665 9.813 1.00 1.00 H new ATOM 0 HG2 GLN A 104 0.926 8.211 7.492 1.00 1.00 H new ATOM 0 HG3 GLN A 104 0.015 8.905 8.819 1.00 1.00 H new ATOM 0 HE21 GLN A 104 -0.127 11.102 8.164 1.00 1.00 H new ATOM 0 HE22 GLN A 104 1.291 12.111 7.858 1.00 1.00 H new ATOM 1674 N THR A 105 4.950 6.819 8.785 1.00 1.00 N ATOM 1675 CA THR A 105 6.278 6.492 9.380 1.00 1.00 C ATOM 1676 C THR A 105 6.480 7.271 10.683 1.00 1.00 C ATOM 1677 O THR A 105 6.670 8.471 10.678 1.00 1.00 O ATOM 1678 CB THR A 105 7.300 6.929 8.329 1.00 1.00 C ATOM 1679 OG1 THR A 105 7.509 5.870 7.406 1.00 1.00 O ATOM 1680 CG2 THR A 105 8.621 7.281 9.015 1.00 1.00 C ATOM 0 H THR A 105 4.983 7.340 7.909 1.00 1.00 H new ATOM 0 HA THR A 105 6.372 5.434 9.625 1.00 1.00 H new ATOM 0 HB THR A 105 6.926 7.804 7.798 1.00 1.00 H new ATOM 0 HG1 THR A 105 7.713 5.045 7.895 1.00 1.00 H new ATOM 0 HG21 THR A 105 9.349 7.592 8.265 1.00 1.00 H new ATOM 0 HG22 THR A 105 8.458 8.094 9.722 1.00 1.00 H new ATOM 0 HG23 THR A 105 8.999 6.408 9.547 1.00 1.00 H new ATOM 1688 N ASP A 106 6.441 6.596 11.799 1.00 1.00 N ATOM 1689 CA ASP A 106 6.630 7.297 13.102 1.00 1.00 C ATOM 1690 C ASP A 106 8.011 7.957 13.151 1.00 1.00 C ATOM 1691 O ASP A 106 8.549 8.215 14.209 1.00 1.00 O ATOM 1692 CB ASP A 106 6.523 6.200 14.161 1.00 1.00 C ATOM 1693 CG ASP A 106 7.737 6.266 15.091 1.00 1.00 C ATOM 1694 OD1 ASP A 106 7.916 7.293 15.726 1.00 1.00 O ATOM 1695 OD2 ASP A 106 8.466 5.290 15.152 1.00 1.00 O ATOM 0 H ASP A 106 6.287 5.590 11.866 1.00 1.00 H new ATOM 0 HA ASP A 106 5.894 8.086 13.257 1.00 1.00 H new ATOM 0 HB2 ASP A 106 5.605 6.323 14.735 1.00 1.00 H new ATOM 0 HB3 ASP A 106 6.471 5.222 13.683 1.00 1.00 H new ATOM 1700 N GLY A 107 8.589 8.232 12.013 1.00 1.00 N ATOM 1701 CA GLY A 107 9.933 8.874 11.996 1.00 1.00 C ATOM 1702 C GLY A 107 11.013 7.797 11.873 1.00 1.00 C ATOM 1703 O GLY A 107 12.168 8.088 11.635 1.00 1.00 O ATOM 0 H GLY A 107 8.188 8.040 11.095 1.00 1.00 H new ATOM 0 HA2 GLY A 107 10.004 9.572 11.161 1.00 1.00 H new ATOM 0 HA3 GLY A 107 10.083 9.452 12.908 1.00 1.00 H new ATOM 1707 N SER A 108 10.645 6.555 12.030 1.00 1.00 N ATOM 1708 CA SER A 108 11.651 5.461 11.920 1.00 1.00 C ATOM 1709 C SER A 108 11.745 4.972 10.472 1.00 1.00 C ATOM 1710 O SER A 108 10.748 4.808 9.797 1.00 1.00 O ATOM 1711 CB SER A 108 11.127 4.348 12.828 1.00 1.00 C ATOM 1712 OG SER A 108 9.715 4.259 12.693 1.00 1.00 O ATOM 0 H SER A 108 9.692 6.251 12.230 1.00 1.00 H new ATOM 0 HA SER A 108 12.649 5.788 12.210 1.00 1.00 H new ATOM 0 HB2 SER A 108 11.590 3.398 12.562 1.00 1.00 H new ATOM 0 HB3 SER A 108 11.393 4.553 13.865 1.00 1.00 H new ATOM 0 HG SER A 108 9.287 4.598 13.507 1.00 1.00 H new ATOM 1718 N ALA A 109 12.935 4.740 9.990 1.00 1.00 N ATOM 1719 CA ALA A 109 13.090 4.264 8.585 1.00 1.00 C ATOM 1720 C ALA A 109 11.870 3.440 8.168 1.00 1.00 C ATOM 1721 O ALA A 109 11.568 2.418 8.752 1.00 1.00 O ATOM 1722 CB ALA A 109 14.346 3.392 8.599 1.00 1.00 C ATOM 0 H ALA A 109 13.806 4.859 10.507 1.00 1.00 H new ATOM 0 HA ALA A 109 13.173 5.088 7.877 1.00 1.00 H new ATOM 0 HB1 ALA A 109 14.529 3.002 7.598 1.00 1.00 H new ATOM 0 HB2 ALA A 109 15.200 3.989 8.918 1.00 1.00 H new ATOM 0 HB3 ALA A 109 14.205 2.562 9.291 1.00 1.00 H new ATOM 1728 N SER A 110 11.162 3.878 7.161 1.00 1.00 N ATOM 1729 CA SER A 110 9.961 3.119 6.708 1.00 1.00 C ATOM 1730 C SER A 110 10.372 2.004 5.743 1.00 1.00 C ATOM 1731 O SER A 110 11.110 2.234 4.806 1.00 1.00 O ATOM 1732 CB SER A 110 9.087 4.150 5.996 1.00 1.00 C ATOM 1733 OG SER A 110 7.751 4.039 6.469 1.00 1.00 O ATOM 0 H SER A 110 11.363 4.727 6.633 1.00 1.00 H new ATOM 0 HA SER A 110 9.437 2.643 7.536 1.00 1.00 H new ATOM 0 HB2 SER A 110 9.468 5.155 6.179 1.00 1.00 H new ATOM 0 HB3 SER A 110 9.118 3.988 4.918 1.00 1.00 H new ATOM 0 HG SER A 110 7.372 4.934 6.592 1.00 1.00 H new ATOM 1739 N PRO A 111 9.875 0.826 6.010 1.00 1.00 N ATOM 1740 CA PRO A 111 10.191 -0.345 5.155 1.00 1.00 C ATOM 1741 C PRO A 111 9.617 -0.150 3.749 1.00 1.00 C ATOM 1742 O PRO A 111 8.725 0.650 3.547 1.00 1.00 O ATOM 1743 CB PRO A 111 9.508 -1.516 5.862 1.00 1.00 C ATOM 1744 CG PRO A 111 8.498 -0.901 6.780 1.00 1.00 C ATOM 1745 CD PRO A 111 8.983 0.483 7.119 1.00 1.00 C ATOM 0 HA PRO A 111 11.263 -0.501 5.030 1.00 1.00 H new ATOM 0 HB2 PRO A 111 9.030 -2.182 5.144 1.00 1.00 H new ATOM 0 HB3 PRO A 111 10.231 -2.113 6.418 1.00 1.00 H new ATOM 0 HG2 PRO A 111 7.520 -0.858 6.301 1.00 1.00 H new ATOM 0 HG3 PRO A 111 8.385 -1.500 7.683 1.00 1.00 H new ATOM 0 HD2 PRO A 111 8.155 1.188 7.198 1.00 1.00 H new ATOM 0 HD3 PRO A 111 9.508 0.499 8.074 1.00 1.00 H new ATOM 1753 N PRO A 112 10.154 -0.894 2.822 1.00 1.00 N ATOM 1754 CA PRO A 112 9.693 -0.809 1.414 1.00 1.00 C ATOM 1755 C PRO A 112 8.243 -1.284 1.299 1.00 1.00 C ATOM 1756 O PRO A 112 7.740 -1.963 2.172 1.00 1.00 O ATOM 1757 CB PRO A 112 10.633 -1.749 0.657 1.00 1.00 C ATOM 1758 CG PRO A 112 11.242 -2.635 1.698 1.00 1.00 C ATOM 1759 CD PRO A 112 11.228 -1.875 2.997 1.00 1.00 C ATOM 0 HA PRO A 112 9.716 0.208 1.022 1.00 1.00 H new ATOM 0 HB2 PRO A 112 10.089 -2.333 -0.085 1.00 1.00 H new ATOM 0 HB3 PRO A 112 11.400 -1.189 0.122 1.00 1.00 H new ATOM 0 HG2 PRO A 112 10.678 -3.563 1.790 1.00 1.00 H new ATOM 0 HG3 PRO A 112 12.261 -2.907 1.423 1.00 1.00 H new ATOM 0 HD2 PRO A 112 11.033 -2.534 3.843 1.00 1.00 H new ATOM 0 HD3 PRO A 112 12.185 -1.389 3.186 1.00 1.00 H new ATOM 1767 N PRO A 113 7.618 -0.908 0.217 1.00 1.00 N ATOM 1768 CA PRO A 113 6.207 -1.299 -0.022 1.00 1.00 C ATOM 1769 C PRO A 113 6.062 -2.822 0.024 1.00 1.00 C ATOM 1770 O PRO A 113 6.903 -3.520 0.556 1.00 1.00 O ATOM 1771 CB PRO A 113 5.906 -0.768 -1.423 1.00 1.00 C ATOM 1772 CG PRO A 113 6.957 0.262 -1.699 1.00 1.00 C ATOM 1773 CD PRO A 113 8.162 -0.092 -0.871 1.00 1.00 C ATOM 0 HA PRO A 113 5.524 -0.901 0.729 1.00 1.00 H new ATOM 0 HB2 PRO A 113 5.939 -1.569 -2.161 1.00 1.00 H new ATOM 0 HB3 PRO A 113 4.908 -0.332 -1.471 1.00 1.00 H new ATOM 0 HG2 PRO A 113 7.211 0.277 -2.759 1.00 1.00 H new ATOM 0 HG3 PRO A 113 6.595 1.258 -1.444 1.00 1.00 H new ATOM 0 HD2 PRO A 113 8.899 -0.645 -1.454 1.00 1.00 H new ATOM 0 HD3 PRO A 113 8.660 0.799 -0.490 1.00 1.00 H new ATOM 1781 N ALA A 114 5.002 -3.344 -0.529 1.00 1.00 N ATOM 1782 CA ALA A 114 4.805 -4.823 -0.516 1.00 1.00 C ATOM 1783 C ALA A 114 6.159 -5.536 -0.520 1.00 1.00 C ATOM 1784 O ALA A 114 7.191 -4.913 -0.682 1.00 1.00 O ATOM 1785 CB ALA A 114 4.033 -5.129 -1.799 1.00 1.00 C ATOM 0 H ALA A 114 4.264 -2.812 -0.989 1.00 1.00 H new ATOM 0 HA ALA A 114 4.271 -5.162 0.372 1.00 1.00 H new ATOM 0 HB1 ALA A 114 3.847 -6.201 -1.865 1.00 1.00 H new ATOM 0 HB2 ALA A 114 3.082 -4.596 -1.787 1.00 1.00 H new ATOM 0 HB3 ALA A 114 4.618 -4.808 -2.661 1.00 1.00 H new ATOM 1791 N PRO A 115 6.108 -6.828 -0.340 1.00 1.00 N ATOM 1792 CA PRO A 115 7.347 -7.645 -0.321 1.00 1.00 C ATOM 1793 C PRO A 115 8.027 -7.612 -1.693 1.00 1.00 C ATOM 1794 O PRO A 115 7.417 -7.893 -2.706 1.00 1.00 O ATOM 1795 CB PRO A 115 6.857 -9.055 0.009 1.00 1.00 C ATOM 1796 CG PRO A 115 5.390 -9.053 -0.288 1.00 1.00 C ATOM 1797 CD PRO A 115 4.904 -7.636 -0.140 1.00 1.00 C ATOM 0 HA PRO A 115 8.083 -7.282 0.396 1.00 1.00 H new ATOM 0 HB2 PRO A 115 7.377 -9.801 -0.592 1.00 1.00 H new ATOM 0 HB3 PRO A 115 7.045 -9.300 1.054 1.00 1.00 H new ATOM 0 HG2 PRO A 115 5.202 -9.420 -1.297 1.00 1.00 H new ATOM 0 HG3 PRO A 115 4.859 -9.715 0.396 1.00 1.00 H new ATOM 0 HD2 PRO A 115 4.136 -7.398 -0.876 1.00 1.00 H new ATOM 0 HD3 PRO A 115 4.467 -7.464 0.843 1.00 1.00 H new ATOM 1805 N LYS A 116 9.286 -7.272 -1.733 1.00 1.00 N ATOM 1806 CA LYS A 116 10.003 -7.222 -3.039 1.00 1.00 C ATOM 1807 C LYS A 116 10.329 -8.638 -3.519 1.00 1.00 C ATOM 1808 O LYS A 116 11.146 -9.328 -2.942 1.00 1.00 O ATOM 1809 CB LYS A 116 11.289 -6.443 -2.755 1.00 1.00 C ATOM 1810 CG LYS A 116 11.494 -5.383 -3.839 1.00 1.00 C ATOM 1811 CD LYS A 116 12.801 -4.631 -3.578 1.00 1.00 C ATOM 1812 CE LYS A 116 12.863 -3.392 -4.474 1.00 1.00 C ATOM 1813 NZ LYS A 116 14.154 -2.734 -4.130 1.00 1.00 N ATOM 0 H LYS A 116 9.849 -7.027 -0.919 1.00 1.00 H new ATOM 0 HA LYS A 116 9.405 -6.752 -3.820 1.00 1.00 H new ATOM 0 HB2 LYS A 116 11.231 -5.970 -1.775 1.00 1.00 H new ATOM 0 HB3 LYS A 116 12.141 -7.123 -2.731 1.00 1.00 H new ATOM 0 HG2 LYS A 116 11.523 -5.854 -4.822 1.00 1.00 H new ATOM 0 HG3 LYS A 116 10.656 -4.686 -3.844 1.00 1.00 H new ATOM 0 HD2 LYS A 116 12.862 -4.339 -2.530 1.00 1.00 H new ATOM 0 HD3 LYS A 116 13.653 -5.281 -3.778 1.00 1.00 H new ATOM 0 HE2 LYS A 116 12.828 -3.665 -5.529 1.00 1.00 H new ATOM 0 HE3 LYS A 116 12.019 -2.728 -4.288 1.00 1.00 H new ATOM 0 HZ1 LYS A 116 14.269 -1.875 -4.704 1.00 1.00 H new ATOM 0 HZ2 LYS A 116 14.156 -2.479 -3.122 1.00 1.00 H new ATOM 0 HZ3 LYS A 116 14.939 -3.388 -4.324 1.00 1.00 H new ATOM 1826 N HIS A 117 9.695 -9.078 -4.572 1.00 1.00 N ATOM 1827 CA HIS A 117 9.970 -10.450 -5.089 1.00 1.00 C ATOM 1828 C HIS A 117 10.465 -10.381 -6.535 1.00 1.00 C ATOM 1829 O HIS A 117 9.970 -9.611 -7.335 1.00 1.00 O ATOM 1830 CB HIS A 117 8.627 -11.176 -5.015 1.00 1.00 C ATOM 1831 CG HIS A 117 7.536 -10.263 -5.503 1.00 1.00 C ATOM 1832 ND1 HIS A 117 7.091 -9.181 -4.760 1.00 1.00 N ATOM 1833 CD2 HIS A 117 6.790 -10.258 -6.656 1.00 1.00 C ATOM 1834 CE1 HIS A 117 6.120 -8.575 -5.467 1.00 1.00 C ATOM 1835 NE2 HIS A 117 5.897 -9.191 -6.632 1.00 1.00 N ATOM 0 H HIS A 117 8.999 -8.548 -5.096 1.00 1.00 H new ATOM 0 HA HIS A 117 10.742 -10.962 -4.514 1.00 1.00 H new ATOM 0 HB2 HIS A 117 8.657 -12.081 -5.622 1.00 1.00 H new ATOM 0 HB3 HIS A 117 8.425 -11.486 -3.990 1.00 1.00 H new ATOM 0 HD1 HIS A 117 7.437 -8.896 -3.844 1.00 1.00 H new ATOM 0 HD2 HIS A 117 6.882 -10.974 -7.460 1.00 1.00 H new ATOM 0 HE1 HIS A 117 5.586 -7.698 -5.134 1.00 1.00 H new ATOM 1843 N HIS A 118 11.439 -11.179 -6.877 1.00 1.00 N ATOM 1844 CA HIS A 118 11.965 -11.158 -8.273 1.00 1.00 C ATOM 1845 C HIS A 118 11.233 -12.195 -9.130 1.00 1.00 C ATOM 1846 O HIS A 118 11.095 -13.341 -8.752 1.00 1.00 O ATOM 1847 CB HIS A 118 13.445 -11.517 -8.144 1.00 1.00 C ATOM 1848 CG HIS A 118 14.167 -11.132 -9.405 1.00 1.00 C ATOM 1849 ND1 HIS A 118 14.541 -9.825 -9.673 1.00 1.00 N ATOM 1850 CD2 HIS A 118 14.591 -11.871 -10.482 1.00 1.00 C ATOM 1851 CE1 HIS A 118 15.161 -9.817 -10.867 1.00 1.00 C ATOM 1852 NE2 HIS A 118 15.218 -11.038 -11.404 1.00 1.00 N ATOM 0 H HIS A 118 11.894 -11.844 -6.252 1.00 1.00 H new ATOM 0 HA HIS A 118 11.821 -10.191 -8.754 1.00 1.00 H new ATOM 0 HB2 HIS A 118 13.882 -11.000 -7.290 1.00 1.00 H new ATOM 0 HB3 HIS A 118 13.556 -12.586 -7.961 1.00 1.00 H new ATOM 0 HD2 HIS A 118 14.458 -12.937 -10.596 1.00 1.00 H new ATOM 0 HE1 HIS A 118 15.564 -8.931 -11.334 1.00 1.00 H new ATOM 0 HE2 HIS A 118 15.632 -11.303 -12.298 1.00 1.00 H new ATOM 1860 N HIS A 119 10.764 -11.801 -10.282 1.00 1.00 N ATOM 1861 CA HIS A 119 10.042 -12.763 -11.162 1.00 1.00 C ATOM 1862 C HIS A 119 11.009 -13.829 -11.686 1.00 1.00 C ATOM 1863 O HIS A 119 12.135 -13.539 -12.038 1.00 1.00 O ATOM 1864 CB HIS A 119 9.500 -11.918 -12.315 1.00 1.00 C ATOM 1865 CG HIS A 119 10.621 -11.118 -12.918 1.00 1.00 C ATOM 1866 ND1 HIS A 119 10.401 -10.156 -13.892 1.00 1.00 N ATOM 1867 CD2 HIS A 119 11.976 -11.125 -12.698 1.00 1.00 C ATOM 1868 CE1 HIS A 119 11.596 -9.629 -14.219 1.00 1.00 C ATOM 1869 NE2 HIS A 119 12.590 -10.184 -13.520 1.00 1.00 N ATOM 0 H HIS A 119 10.850 -10.854 -10.652 1.00 1.00 H new ATOM 0 HA HIS A 119 9.246 -13.288 -10.633 1.00 1.00 H new ATOM 0 HB2 HIS A 119 9.050 -12.561 -13.071 1.00 1.00 H new ATOM 0 HB3 HIS A 119 8.716 -11.252 -11.955 1.00 1.00 H new ATOM 0 HD2 HIS A 119 12.488 -11.764 -11.994 1.00 1.00 H new ATOM 0 HE1 HIS A 119 11.734 -8.852 -14.957 1.00 1.00 H new ATOM 0 HE2 HIS A 119 13.585 -9.965 -13.576 1.00 1.00 H new ATOM 1877 N ALA A 120 10.578 -15.060 -11.738 1.00 1.00 N ATOM 1878 CA ALA A 120 11.473 -16.142 -12.240 1.00 1.00 C ATOM 1879 C ALA A 120 11.378 -16.244 -13.764 1.00 1.00 C ATOM 1880 O ALA A 120 10.499 -15.674 -14.380 1.00 1.00 O ATOM 1881 CB ALA A 120 10.956 -17.421 -11.582 1.00 1.00 C ATOM 0 H ALA A 120 9.646 -15.363 -11.455 1.00 1.00 H new ATOM 0 HA ALA A 120 12.520 -15.956 -12.001 1.00 1.00 H new ATOM 0 HB1 ALA A 120 11.565 -18.267 -11.902 1.00 1.00 H new ATOM 0 HB2 ALA A 120 11.014 -17.322 -10.498 1.00 1.00 H new ATOM 0 HB3 ALA A 120 9.920 -17.588 -11.876 1.00 1.00 H new ATOM 1887 N SER A 121 12.274 -16.967 -14.378 1.00 1.00 N ATOM 1888 CA SER A 121 12.233 -17.105 -15.862 1.00 1.00 C ATOM 1889 C SER A 121 11.669 -18.474 -16.251 1.00 1.00 C ATOM 1890 O SER A 121 12.333 -19.485 -16.135 1.00 1.00 O ATOM 1891 CB SER A 121 13.687 -16.975 -16.312 1.00 1.00 C ATOM 1892 OG SER A 121 14.480 -17.926 -15.613 1.00 1.00 O ATOM 0 H SER A 121 13.033 -17.468 -13.916 1.00 1.00 H new ATOM 0 HA SER A 121 11.594 -16.356 -16.329 1.00 1.00 H new ATOM 0 HB2 SER A 121 13.764 -17.140 -17.387 1.00 1.00 H new ATOM 0 HB3 SER A 121 14.052 -15.966 -16.117 1.00 1.00 H new ATOM 0 HG SER A 121 13.992 -18.773 -15.547 1.00 1.00 H new ATOM 1898 N LYS A 122 10.449 -18.515 -16.713 1.00 1.00 N ATOM 1899 CA LYS A 122 9.845 -19.819 -17.109 1.00 1.00 C ATOM 1900 C LYS A 122 9.896 -19.985 -18.630 1.00 1.00 C ATOM 1901 O LYS A 122 9.002 -19.570 -19.340 1.00 1.00 O ATOM 1902 CB LYS A 122 8.397 -19.748 -16.625 1.00 1.00 C ATOM 1903 CG LYS A 122 8.373 -19.612 -15.101 1.00 1.00 C ATOM 1904 CD LYS A 122 7.106 -18.868 -14.674 1.00 1.00 C ATOM 1905 CE LYS A 122 7.488 -17.527 -14.044 1.00 1.00 C ATOM 1906 NZ LYS A 122 8.437 -17.874 -12.950 1.00 1.00 N ATOM 0 H LYS A 122 9.845 -17.702 -16.833 1.00 1.00 H new ATOM 0 HA LYS A 122 10.377 -20.668 -16.679 1.00 1.00 H new ATOM 0 HB2 LYS A 122 7.890 -18.899 -17.084 1.00 1.00 H new ATOM 0 HB3 LYS A 122 7.857 -20.644 -16.929 1.00 1.00 H new ATOM 0 HG2 LYS A 122 8.402 -20.598 -14.637 1.00 1.00 H new ATOM 0 HG3 LYS A 122 9.257 -19.073 -14.760 1.00 1.00 H new ATOM 0 HD2 LYS A 122 6.459 -18.705 -15.536 1.00 1.00 H new ATOM 0 HD3 LYS A 122 6.542 -19.469 -13.961 1.00 1.00 H new ATOM 0 HE2 LYS A 122 7.953 -16.865 -14.775 1.00 1.00 H new ATOM 0 HE3 LYS A 122 6.611 -17.008 -13.657 1.00 1.00 H new ATOM 0 HZ1 LYS A 122 8.395 -17.145 -12.210 1.00 1.00 H new ATOM 0 HZ2 LYS A 122 8.177 -18.795 -12.544 1.00 1.00 H new ATOM 0 HZ3 LYS A 122 9.403 -17.924 -13.332 1.00 1.00 H new ATOM 1919 N VAL A 123 10.936 -20.589 -19.136 1.00 1.00 N ATOM 1920 CA VAL A 123 11.044 -20.781 -20.611 1.00 1.00 C ATOM 1921 C VAL A 123 10.262 -22.025 -21.042 1.00 1.00 C ATOM 1922 O VAL A 123 10.383 -23.081 -20.453 1.00 1.00 O ATOM 1923 CB VAL A 123 12.537 -20.966 -20.878 1.00 1.00 C ATOM 1924 CG1 VAL A 123 13.128 -21.920 -19.840 1.00 1.00 C ATOM 1925 CG2 VAL A 123 12.734 -21.552 -22.278 1.00 1.00 C ATOM 0 H VAL A 123 11.716 -20.958 -18.592 1.00 1.00 H new ATOM 0 HA VAL A 123 10.632 -19.940 -21.168 1.00 1.00 H new ATOM 0 HB VAL A 123 13.040 -20.001 -20.812 1.00 1.00 H new ATOM 0 HG11 VAL A 123 14.193 -22.051 -20.031 1.00 1.00 H new ATOM 0 HG12 VAL A 123 12.987 -21.505 -18.842 1.00 1.00 H new ATOM 0 HG13 VAL A 123 12.626 -22.885 -19.905 1.00 1.00 H new ATOM 0 HG21 VAL A 123 13.799 -21.685 -22.470 1.00 1.00 H new ATOM 0 HG22 VAL A 123 12.231 -22.517 -22.343 1.00 1.00 H new ATOM 0 HG23 VAL A 123 12.313 -20.873 -23.019 1.00 1.00 H new ATOM 1935 N ASP A 124 9.462 -21.909 -22.066 1.00 1.00 N ATOM 1936 CA ASP A 124 8.673 -23.084 -22.534 1.00 1.00 C ATOM 1937 C ASP A 124 9.591 -24.094 -23.228 1.00 1.00 C ATOM 1938 O ASP A 124 9.552 -24.161 -24.446 1.00 1.00 O ATOM 1939 CB ASP A 124 7.659 -22.512 -23.524 1.00 1.00 C ATOM 1940 CG ASP A 124 7.849 -20.997 -23.632 1.00 1.00 C ATOM 1941 OD1 ASP A 124 8.089 -20.376 -22.610 1.00 1.00 O ATOM 1942 OD2 ASP A 124 7.753 -20.485 -24.736 1.00 1.00 O ATOM 0 H ASP A 124 9.320 -21.051 -22.599 1.00 1.00 H new ATOM 0 HA ASP A 124 8.187 -23.609 -21.712 1.00 1.00 H new ATOM 0 HB2 ASP A 124 7.788 -22.976 -24.502 1.00 1.00 H new ATOM 0 HB3 ASP A 124 6.645 -22.739 -23.195 1.00 1.00 H new TER 1947 ASP A 124