USER MOD reduce.3.24.130724 H: found=0, std=0, add=926, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 922 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 87 THR OG1 : rot -97:sc=-0.00909 USER MOD Set 1.2: A 90 SER OG : rot -70:sc= -2.59! USER MOD Set 2.1: A 21 SER OG : rot -122:sc= 1.17 USER MOD Set 2.2: A 48 HIS : no HE2:sc= -4.64! C(o=-3.8!,f=-7.8!) USER MOD Set 2.3: A 82 THR OG1 : rot -138:sc= -0.368 USER MOD Set 3.1: A 75 SER OG : rot 160:sc= -0.352 USER MOD Set 3.2: A 105 HIS : no HD1:sc= -6.65! C(o=-7!,f=-5.2!) USER MOD Set 4.1: A 73 TYR OH : rot 60:sc= 2.09 USER MOD Set 4.2: A 115 TYR OH : rot -156:sc= 0.707 USER MOD Set 5.1: A 11 GLN : amide:sc= -3.11 K(o=-18,f=-30!) USER MOD Set 5.2: A 34 ASN : amide:sc= -6.36 K(o=-18,f=-22!) USER MOD Set 5.3: A 35 MET CE :methyl -134:sc= -8.09! (180deg=-5.96!) USER MOD Set 6.1: A 30 MET CE :methyl -142:sc= -13.4! (180deg=-10.3!) USER MOD Set 6.2: A 44 ASN : amide:sc= -12.9! C(o=-26!,f=-31!) USER MOD Set 7.1: A 24 THR OG1 : rot 180:sc= 0.011 USER MOD Set 7.2: A 28 GLN : amide:sc= 0 X(o=0.011,f=0.016) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -12.2! C(o=-12!,f=-19!) USER MOD Single : A 12 HIS : no HE2:sc= -2.15 X(o=-2.2,f=-2.1!) USER MOD Single : A 13 MET CE :methyl -160:sc= -7! (180deg=-10.4!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 170:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -56:sc= 0.315 USER MOD Single : A 22 SER OG : rot 180:sc= -0.0245 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 98:sc= 0.321 USER MOD Single : A 27 ASN : amide:sc= -4.78! C(o=-4.8!,f=-5.2!) USER MOD Single : A 29 MET CE :methyl -127:sc= -0.188 (180deg=-0.46) USER MOD Single : A 36 THR OG1 : rot 107:sc= -5.73! USER MOD Single : A 37 GLN : amide:sc= -0.0092 X(o=-0.0092,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.0129 USER MOD Single : A 55 GLN : amide:sc= -13.2! C(o=-13!,f=-7.8!) USER MOD Single : A 56 ASN : amide:sc= -0.0931 K(o=-0.093,f=-1.5!) USER MOD Single : A 60 GLN : amide:sc= -0.141 X(o=-0.14,f=0) USER MOD Single : A 62 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00502) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -0.738! C(o=-0.74!,f=-8.6!) USER MOD Single : A 69 GLN : amide:sc= -0.512 X(o=-0.51,f=-0.51) USER MOD Single : A 71 ASN : amide:sc= -1.86! K(o=-1.9!,f=-0.98) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -1.92! K(o=-1.9!,f=-0.89) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 MET CE :methyl 153:sc= -2.05 (180deg=-5.04!) USER MOD Single : A 80 HIS : no HD1:sc= -5.96! C(o=-6!,f=-9.6!) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -1.44 X(o=-1.4,f=-1.3) USER MOD Single : A 97 TYR OH : rot 77:sc= -0.162 USER MOD Single : A 99 THR OG1 : rot 138:sc= 0.928 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 119 HIS : no HD1:sc= -7.42! C(o=-7.4!,f=-5.6!) USER MOD Single : A 123 SER OG : rot 44:sc= 0.0605 USER MOD ----------------------------------------------------------------- ATOM 49 N ARG A 4 -5.072 -0.633 -7.338 1.00 71.21 N ATOM 50 CA ARG A 4 -6.335 -1.166 -7.834 1.00 33.44 C ATOM 51 C ARG A 4 -6.117 -2.001 -9.093 1.00 1.45 C ATOM 52 O ARG A 4 -6.334 -3.212 -9.092 1.00 12.22 O ATOM 53 CB ARG A 4 -7.314 -0.028 -8.127 1.00 0.31 C ATOM 54 CG ARG A 4 -8.695 -0.504 -8.545 1.00 72.44 C ATOM 55 CD ARG A 4 -9.792 0.318 -7.886 1.00 64.25 C ATOM 56 NE ARG A 4 -10.663 -0.503 -7.050 1.00 12.33 N ATOM 57 CZ ARG A 4 -11.875 -0.124 -6.658 1.00 62.41 C ATOM 58 NH1 ARG A 4 -12.356 1.055 -7.026 1.00 1.10 N ATOM 59 NH2 ARG A 4 -12.608 -0.927 -5.897 1.00 51.12 N ATOM 0 HA ARG A 4 -6.757 -1.809 -7.061 1.00 33.44 H new ATOM 0 HB2 ARG A 4 -7.408 0.597 -7.239 1.00 0.31 H new ATOM 0 HB3 ARG A 4 -6.901 0.600 -8.916 1.00 0.31 H new ATOM 0 HG2 ARG A 4 -8.791 -0.438 -9.629 1.00 72.44 H new ATOM 0 HG3 ARG A 4 -8.815 -1.554 -8.278 1.00 72.44 H new ATOM 0 HD2 ARG A 4 -9.342 1.103 -7.279 1.00 64.25 H new ATOM 0 HD3 ARG A 4 -10.387 0.811 -8.655 1.00 64.25 H new ATOM 0 HE ARG A 4 -10.323 -1.417 -6.751 1.00 12.33 H new ATOM 0 HH11 ARG A 4 -11.796 1.674 -7.612 1.00 1.10 H new ATOM 0 HH12 ARG A 4 -13.287 1.343 -6.724 1.00 1.10 H new ATOM 0 HH21 ARG A 4 -12.241 -1.835 -5.613 1.00 51.12 H new ATOM 0 HH22 ARG A 4 -13.538 -0.636 -5.596 1.00 51.12 H new ATOM 73 N ALA A 5 -5.686 -1.343 -10.164 1.00 74.34 N ATOM 74 CA ALA A 5 -5.437 -2.024 -11.429 1.00 32.01 C ATOM 75 C ALA A 5 -4.599 -3.280 -11.220 1.00 64.40 C ATOM 76 O ALA A 5 -4.675 -4.228 -12.003 1.00 3.32 O ATOM 77 CB ALA A 5 -4.749 -1.084 -12.408 1.00 23.25 C ATOM 0 H ALA A 5 -5.502 -0.340 -10.181 1.00 74.34 H new ATOM 0 HA ALA A 5 -6.398 -2.325 -11.847 1.00 32.01 H new ATOM 0 HB1 ALA A 5 -4.569 -1.606 -13.348 1.00 23.25 H new ATOM 0 HB2 ALA A 5 -5.386 -0.218 -12.590 1.00 23.25 H new ATOM 0 HB3 ALA A 5 -3.799 -0.754 -11.989 1.00 23.25 H new ATOM 83 N LYS A 6 -3.798 -3.282 -10.160 1.00 21.23 N ATOM 84 CA LYS A 6 -2.945 -4.422 -9.847 1.00 24.24 C ATOM 85 C LYS A 6 -3.774 -5.689 -9.664 1.00 14.14 C ATOM 86 O LYS A 6 -3.539 -6.699 -10.327 1.00 21.34 O ATOM 87 CB LYS A 6 -2.132 -4.145 -8.580 1.00 11.42 C ATOM 88 CG LYS A 6 -0.856 -3.362 -8.835 1.00 42.22 C ATOM 89 CD LYS A 6 0.200 -3.658 -7.783 1.00 61.24 C ATOM 90 CE LYS A 6 1.597 -3.676 -8.385 1.00 52.12 C ATOM 91 NZ LYS A 6 2.382 -4.857 -7.931 1.00 75.21 N ATOM 0 H LYS A 6 -3.722 -2.506 -9.503 1.00 21.23 H new ATOM 0 HA LYS A 6 -2.263 -4.573 -10.684 1.00 24.24 H new ATOM 0 HB2 LYS A 6 -2.752 -3.593 -7.874 1.00 11.42 H new ATOM 0 HB3 LYS A 6 -1.878 -5.094 -8.107 1.00 11.42 H new ATOM 0 HG2 LYS A 6 -0.467 -3.610 -9.822 1.00 42.22 H new ATOM 0 HG3 LYS A 6 -1.078 -2.295 -8.839 1.00 42.22 H new ATOM 0 HD2 LYS A 6 0.152 -2.906 -6.996 1.00 61.24 H new ATOM 0 HD3 LYS A 6 -0.009 -4.621 -7.317 1.00 61.24 H new ATOM 0 HE2 LYS A 6 1.524 -3.685 -9.472 1.00 52.12 H new ATOM 0 HE3 LYS A 6 2.123 -2.762 -8.109 1.00 52.12 H new ATOM 0 HZ1 LYS A 6 3.328 -4.832 -8.363 1.00 75.21 H new ATOM 0 HZ2 LYS A 6 2.474 -4.835 -6.895 1.00 75.21 H new ATOM 0 HZ3 LYS A 6 1.893 -5.729 -8.217 1.00 75.21 H new ATOM 105 N LYS A 7 -4.748 -5.628 -8.761 1.00 44.10 N ATOM 106 CA LYS A 7 -5.615 -6.769 -8.492 1.00 51.42 C ATOM 107 C LYS A 7 -6.129 -7.379 -9.792 1.00 35.20 C ATOM 108 O LYS A 7 -6.268 -8.597 -9.905 1.00 61.41 O ATOM 109 CB LYS A 7 -6.794 -6.343 -7.615 1.00 34.15 C ATOM 110 CG LYS A 7 -6.567 -6.583 -6.132 1.00 42.11 C ATOM 111 CD LYS A 7 -7.486 -5.723 -5.281 1.00 32.44 C ATOM 112 CE LYS A 7 -8.801 -6.431 -4.991 1.00 22.42 C ATOM 113 NZ LYS A 7 -9.085 -6.497 -3.531 1.00 15.45 N ATOM 0 H LYS A 7 -4.956 -4.800 -8.203 1.00 44.10 H new ATOM 0 HA LYS A 7 -5.030 -7.522 -7.964 1.00 51.42 H new ATOM 0 HB2 LYS A 7 -6.992 -5.283 -7.777 1.00 34.15 H new ATOM 0 HB3 LYS A 7 -7.685 -6.886 -7.930 1.00 34.15 H new ATOM 0 HG2 LYS A 7 -6.736 -7.635 -5.903 1.00 42.11 H new ATOM 0 HG3 LYS A 7 -5.529 -6.365 -5.882 1.00 42.11 H new ATOM 0 HD2 LYS A 7 -6.990 -5.476 -4.342 1.00 32.44 H new ATOM 0 HD3 LYS A 7 -7.684 -4.782 -5.794 1.00 32.44 H new ATOM 0 HE2 LYS A 7 -9.614 -5.909 -5.496 1.00 22.42 H new ATOM 0 HE3 LYS A 7 -8.768 -7.441 -5.401 1.00 22.42 H new ATOM 0 HZ1 LYS A 7 -9.989 -6.987 -3.375 1.00 15.45 H new ATOM 0 HZ2 LYS A 7 -8.322 -7.017 -3.052 1.00 15.45 H new ATOM 0 HZ3 LYS A 7 -9.142 -5.533 -3.145 1.00 15.45 H new ATOM 127 N PHE A 8 -6.410 -6.526 -10.771 1.00 41.41 N ATOM 128 CA PHE A 8 -6.908 -6.982 -12.063 1.00 53.55 C ATOM 129 C PHE A 8 -5.775 -7.547 -12.915 1.00 33.13 C ATOM 130 O PHE A 8 -6.007 -8.342 -13.825 1.00 31.32 O ATOM 131 CB PHE A 8 -7.593 -5.831 -12.805 1.00 22.24 C ATOM 132 CG PHE A 8 -7.931 -6.155 -14.232 1.00 12.42 C ATOM 133 CD1 PHE A 8 -9.112 -6.807 -14.547 1.00 14.12 C ATOM 134 CD2 PHE A 8 -7.068 -5.806 -15.258 1.00 74.03 C ATOM 135 CE1 PHE A 8 -9.426 -7.106 -15.859 1.00 64.42 C ATOM 136 CE2 PHE A 8 -7.377 -6.103 -16.573 1.00 5.42 C ATOM 137 CZ PHE A 8 -8.557 -6.753 -16.873 1.00 53.35 C ATOM 0 H PHE A 8 -6.301 -5.515 -10.694 1.00 41.41 H new ATOM 0 HA PHE A 8 -7.635 -7.774 -11.884 1.00 53.55 H new ATOM 0 HB2 PHE A 8 -8.507 -5.561 -12.276 1.00 22.24 H new ATOM 0 HB3 PHE A 8 -6.942 -4.957 -12.784 1.00 22.24 H new ATOM 0 HD1 PHE A 8 -9.795 -7.085 -13.758 1.00 14.12 H new ATOM 0 HD2 PHE A 8 -6.144 -5.296 -15.028 1.00 74.03 H new ATOM 0 HE1 PHE A 8 -10.350 -7.615 -16.091 1.00 64.42 H new ATOM 0 HE2 PHE A 8 -6.696 -5.827 -17.364 1.00 5.42 H new ATOM 0 HZ PHE A 8 -8.801 -6.985 -17.899 1.00 53.35 H new ATOM 147 N GLN A 9 -4.550 -7.130 -12.611 1.00 53.14 N ATOM 148 CA GLN A 9 -3.381 -7.594 -13.349 1.00 53.22 C ATOM 149 C GLN A 9 -2.982 -8.998 -12.909 1.00 22.21 C ATOM 150 O GLN A 9 -2.829 -9.898 -13.735 1.00 24.10 O ATOM 151 CB GLN A 9 -2.210 -6.631 -13.148 1.00 40.21 C ATOM 152 CG GLN A 9 -2.010 -5.666 -14.306 1.00 22.12 C ATOM 153 CD GLN A 9 -3.296 -4.983 -14.725 1.00 75.14 C ATOM 154 OE1 GLN A 9 -4.042 -5.497 -15.560 1.00 33.14 O ATOM 155 NE2 GLN A 9 -3.564 -3.818 -14.148 1.00 10.32 N ATOM 0 H GLN A 9 -4.341 -6.472 -11.860 1.00 53.14 H new ATOM 0 HA GLN A 9 -3.639 -7.625 -14.408 1.00 53.22 H new ATOM 0 HB2 GLN A 9 -2.373 -6.060 -12.234 1.00 40.21 H new ATOM 0 HB3 GLN A 9 -1.296 -7.208 -13.005 1.00 40.21 H new ATOM 0 HG2 GLN A 9 -1.278 -4.910 -14.022 1.00 22.12 H new ATOM 0 HG3 GLN A 9 -1.596 -6.207 -15.157 1.00 22.12 H new ATOM 0 HE21 GLN A 9 -2.918 -3.429 -13.461 1.00 10.32 H new ATOM 0 HE22 GLN A 9 -4.416 -3.312 -14.391 1.00 10.32 H new ATOM 164 N ARG A 10 -2.814 -9.178 -11.603 1.00 31.31 N ATOM 165 CA ARG A 10 -2.431 -10.473 -11.053 1.00 63.12 C ATOM 166 C ARG A 10 -3.599 -11.453 -11.105 1.00 60.33 C ATOM 167 O ARG A 10 -3.490 -12.588 -10.641 1.00 10.20 O ATOM 168 CB ARG A 10 -1.947 -10.316 -9.610 1.00 52.54 C ATOM 169 CG ARG A 10 -2.915 -9.550 -8.724 1.00 15.32 C ATOM 170 CD ARG A 10 -3.400 -10.402 -7.562 1.00 20.35 C ATOM 171 NE ARG A 10 -2.795 -9.996 -6.296 1.00 32.54 N ATOM 172 CZ ARG A 10 -3.351 -10.222 -5.110 1.00 43.32 C ATOM 173 NH1 ARG A 10 -4.517 -10.847 -5.029 1.00 53.50 N ATOM 174 NH2 ARG A 10 -2.739 -9.822 -4.003 1.00 22.13 N ATOM 0 H ARG A 10 -2.937 -8.443 -10.906 1.00 31.31 H new ATOM 0 HA ARG A 10 -1.618 -10.871 -11.660 1.00 63.12 H new ATOM 0 HB2 ARG A 10 -1.780 -11.304 -9.182 1.00 52.54 H new ATOM 0 HB3 ARG A 10 -0.985 -9.803 -9.612 1.00 52.54 H new ATOM 0 HG2 ARG A 10 -2.428 -8.654 -8.341 1.00 15.32 H new ATOM 0 HG3 ARG A 10 -3.769 -9.220 -9.316 1.00 15.32 H new ATOM 0 HD2 ARG A 10 -4.485 -10.327 -7.486 1.00 20.35 H new ATOM 0 HD3 ARG A 10 -3.165 -11.448 -7.757 1.00 20.35 H new ATOM 0 HE ARG A 10 -1.897 -9.513 -6.324 1.00 32.54 H new ATOM 0 HH11 ARG A 10 -4.990 -11.156 -5.878 1.00 53.50 H new ATOM 0 HH12 ARG A 10 -4.941 -11.019 -4.117 1.00 53.50 H new ATOM 0 HH21 ARG A 10 -1.842 -9.341 -4.062 1.00 22.13 H new ATOM 0 HH22 ARG A 10 -3.166 -9.996 -3.093 1.00 22.13 H new ATOM 188 N GLN A 11 -4.715 -11.007 -11.673 1.00 2.43 N ATOM 189 CA GLN A 11 -5.903 -11.844 -11.784 1.00 30.33 C ATOM 190 C GLN A 11 -5.994 -12.479 -13.167 1.00 71.15 C ATOM 191 O GLN A 11 -5.870 -13.696 -13.313 1.00 43.42 O ATOM 192 CB GLN A 11 -7.161 -11.021 -11.504 1.00 13.24 C ATOM 193 CG GLN A 11 -7.824 -11.355 -10.177 1.00 1.43 C ATOM 194 CD GLN A 11 -6.873 -11.233 -9.003 1.00 24.44 C ATOM 195 OE1 GLN A 11 -5.714 -11.643 -9.083 1.00 10.34 O ATOM 196 NE2 GLN A 11 -7.358 -10.669 -7.903 1.00 41.31 N ATOM 0 H GLN A 11 -4.821 -10.071 -12.063 1.00 2.43 H new ATOM 0 HA GLN A 11 -5.826 -12.640 -11.043 1.00 30.33 H new ATOM 0 HB2 GLN A 11 -6.902 -9.962 -11.515 1.00 13.24 H new ATOM 0 HB3 GLN A 11 -7.877 -11.182 -12.309 1.00 13.24 H new ATOM 0 HG2 GLN A 11 -8.674 -10.690 -10.022 1.00 1.43 H new ATOM 0 HG3 GLN A 11 -8.217 -12.371 -10.217 1.00 1.43 H new ATOM 0 HE21 GLN A 11 -8.324 -10.343 -7.880 1.00 41.31 H new ATOM 0 HE22 GLN A 11 -6.764 -10.561 -7.081 1.00 41.31 H new ATOM 205 N HIS A 12 -6.212 -11.648 -14.181 1.00 54.34 N ATOM 206 CA HIS A 12 -6.320 -12.128 -15.554 1.00 61.15 C ATOM 207 C HIS A 12 -4.997 -11.958 -16.295 1.00 24.44 C ATOM 208 O HIS A 12 -4.455 -12.917 -16.844 1.00 4.01 O ATOM 209 CB HIS A 12 -7.430 -11.381 -16.293 1.00 54.42 C ATOM 210 CG HIS A 12 -8.654 -11.151 -15.461 1.00 33.20 C ATOM 211 ND1 HIS A 12 -9.741 -12.000 -15.471 1.00 52.32 N ATOM 212 CD2 HIS A 12 -8.959 -10.163 -14.588 1.00 41.51 C ATOM 213 CE1 HIS A 12 -10.662 -11.542 -14.642 1.00 31.00 C ATOM 214 NE2 HIS A 12 -10.212 -10.428 -14.093 1.00 22.31 N ATOM 0 H HIS A 12 -6.317 -10.639 -14.078 1.00 54.34 H new ATOM 0 HA HIS A 12 -6.565 -13.190 -15.522 1.00 61.15 H new ATOM 0 HB2 HIS A 12 -7.046 -10.419 -16.633 1.00 54.42 H new ATOM 0 HB3 HIS A 12 -7.707 -11.946 -17.183 1.00 54.42 H new ATOM 0 HD1 HIS A 12 -9.821 -12.849 -16.031 1.00 52.32 H new ATOM 0 HD2 HIS A 12 -8.333 -9.322 -14.329 1.00 41.51 H new ATOM 0 HE1 HIS A 12 -11.620 -12.000 -14.446 1.00 31.00 H new ATOM 222 N MET A 13 -4.483 -10.733 -16.305 1.00 40.32 N ATOM 223 CA MET A 13 -3.223 -10.438 -16.978 1.00 30.32 C ATOM 224 C MET A 13 -2.127 -11.396 -16.522 1.00 4.33 C ATOM 225 O MET A 13 -1.563 -11.238 -15.438 1.00 73.34 O ATOM 226 CB MET A 13 -2.800 -8.993 -16.706 1.00 33.45 C ATOM 227 CG MET A 13 -3.756 -7.962 -17.283 1.00 44.31 C ATOM 228 SD MET A 13 -3.900 -8.077 -19.077 1.00 15.43 S ATOM 229 CE MET A 13 -2.207 -7.770 -19.574 1.00 12.25 C ATOM 0 H MET A 13 -4.919 -9.928 -15.855 1.00 40.32 H new ATOM 0 HA MET A 13 -3.373 -10.568 -18.050 1.00 30.32 H new ATOM 0 HB2 MET A 13 -2.722 -8.842 -15.629 1.00 33.45 H new ATOM 0 HB3 MET A 13 -1.806 -8.829 -17.123 1.00 33.45 H new ATOM 0 HG2 MET A 13 -4.741 -8.094 -16.834 1.00 44.31 H new ATOM 0 HG3 MET A 13 -3.413 -6.963 -17.013 1.00 44.31 H new ATOM 0 HE1 MET A 13 -2.185 -7.458 -20.618 1.00 12.25 H new ATOM 0 HE2 MET A 13 -1.782 -6.983 -18.951 1.00 12.25 H new ATOM 0 HE3 MET A 13 -1.622 -8.682 -19.456 1.00 12.25 H new ATOM 239 N ASP A 14 -1.829 -12.387 -17.354 1.00 73.23 N ATOM 240 CA ASP A 14 -0.800 -13.370 -17.037 1.00 5.35 C ATOM 241 C ASP A 14 0.334 -13.318 -18.056 1.00 73.55 C ATOM 242 O ASP A 14 1.127 -14.254 -18.165 1.00 52.55 O ATOM 243 CB ASP A 14 -1.401 -14.775 -16.994 1.00 72.23 C ATOM 244 CG ASP A 14 -0.685 -15.682 -16.013 1.00 33.31 C ATOM 245 OD1 ASP A 14 -0.960 -15.578 -14.799 1.00 3.31 O ATOM 246 OD2 ASP A 14 0.149 -16.497 -16.459 1.00 31.31 O ATOM 0 H ASP A 14 -2.286 -12.531 -18.254 1.00 73.23 H new ATOM 0 HA ASP A 14 -0.393 -13.129 -16.055 1.00 5.35 H new ATOM 0 HB2 ASP A 14 -2.454 -14.708 -16.720 1.00 72.23 H new ATOM 0 HB3 ASP A 14 -1.358 -15.216 -17.990 1.00 72.23 H new ATOM 251 N SER A 15 0.403 -12.220 -18.802 1.00 73.32 N ATOM 252 CA SER A 15 1.436 -12.049 -19.817 1.00 73.21 C ATOM 253 C SER A 15 2.726 -12.749 -19.402 1.00 62.32 C ATOM 254 O SER A 15 3.438 -13.309 -20.237 1.00 34.15 O ATOM 255 CB SER A 15 1.703 -10.562 -20.057 1.00 24.11 C ATOM 256 OG SER A 15 2.043 -9.904 -18.849 1.00 11.32 O ATOM 0 H SER A 15 -0.244 -11.436 -18.723 1.00 73.32 H new ATOM 0 HA SER A 15 1.080 -12.501 -20.743 1.00 73.21 H new ATOM 0 HB2 SER A 15 2.512 -10.446 -20.778 1.00 24.11 H new ATOM 0 HB3 SER A 15 0.819 -10.096 -20.492 1.00 24.11 H new ATOM 0 HG SER A 15 2.211 -8.955 -19.029 1.00 11.32 H new ATOM 262 N ASP A 16 3.021 -12.713 -18.107 1.00 63.34 N ATOM 263 CA ASP A 16 4.225 -13.345 -17.580 1.00 2.23 C ATOM 264 C ASP A 16 4.473 -14.690 -18.254 1.00 62.43 C ATOM 265 O ASP A 16 5.573 -14.961 -18.735 1.00 65.42 O ATOM 266 CB ASP A 16 4.107 -13.533 -16.066 1.00 53.05 C ATOM 267 CG ASP A 16 5.344 -14.168 -15.463 1.00 42.24 C ATOM 268 OD1 ASP A 16 5.668 -15.313 -15.842 1.00 22.34 O ATOM 269 OD2 ASP A 16 5.989 -13.519 -14.614 1.00 3.12 O ATOM 0 H ASP A 16 2.443 -12.253 -17.403 1.00 63.34 H new ATOM 0 HA ASP A 16 5.071 -12.692 -17.793 1.00 2.23 H new ATOM 0 HB2 ASP A 16 3.933 -12.565 -15.595 1.00 53.05 H new ATOM 0 HB3 ASP A 16 3.239 -14.155 -15.847 1.00 53.05 H new ATOM 274 N SER A 17 3.443 -15.530 -18.285 1.00 24.23 N ATOM 275 CA SER A 17 3.551 -16.850 -18.896 1.00 11.22 C ATOM 276 C SER A 17 3.408 -16.760 -20.412 1.00 54.41 C ATOM 277 O SER A 17 3.067 -15.708 -20.953 1.00 15.21 O ATOM 278 CB SER A 17 2.485 -17.787 -18.326 1.00 75.32 C ATOM 279 OG SER A 17 3.071 -18.803 -17.531 1.00 72.20 O ATOM 0 H SER A 17 2.525 -15.320 -17.894 1.00 24.23 H new ATOM 0 HA SER A 17 4.538 -17.251 -18.665 1.00 11.22 H new ATOM 0 HB2 SER A 17 1.777 -17.215 -17.727 1.00 75.32 H new ATOM 0 HB3 SER A 17 1.920 -18.239 -19.141 1.00 75.32 H new ATOM 0 HG SER A 17 2.368 -19.288 -17.050 1.00 72.20 H new ATOM 285 N SER A 18 3.671 -17.871 -21.092 1.00 50.22 N ATOM 286 CA SER A 18 3.576 -17.918 -22.546 1.00 55.35 C ATOM 287 C SER A 18 2.283 -18.600 -22.984 1.00 63.54 C ATOM 288 O SER A 18 1.600 -19.257 -22.198 1.00 3.53 O ATOM 289 CB SER A 18 4.780 -18.656 -23.134 1.00 40.52 C ATOM 290 OG SER A 18 5.745 -17.743 -23.630 1.00 74.40 O ATOM 0 H SER A 18 3.952 -18.751 -20.659 1.00 50.22 H new ATOM 0 HA SER A 18 3.570 -16.894 -22.918 1.00 55.35 H new ATOM 0 HB2 SER A 18 5.232 -19.288 -22.370 1.00 40.52 H new ATOM 0 HB3 SER A 18 4.450 -19.314 -23.938 1.00 40.52 H new ATOM 0 HG SER A 18 6.505 -18.239 -23.999 1.00 74.40 H new ATOM 296 N PRO A 19 1.939 -18.443 -24.271 1.00 73.21 N ATOM 297 CA PRO A 19 0.727 -19.037 -24.844 1.00 41.23 C ATOM 298 C PRO A 19 0.821 -20.555 -24.953 1.00 51.22 C ATOM 299 O PRO A 19 1.728 -21.172 -24.395 1.00 10.22 O ATOM 300 CB PRO A 19 0.647 -18.405 -26.236 1.00 51.32 C ATOM 301 CG PRO A 19 2.053 -18.042 -26.569 1.00 70.33 C ATOM 302 CD PRO A 19 2.706 -17.674 -25.266 1.00 33.44 C ATOM 0 HA PRO A 19 -0.150 -18.851 -24.225 1.00 41.23 H new ATOM 0 HB2 PRO A 19 0.235 -19.103 -26.965 1.00 51.32 H new ATOM 0 HB3 PRO A 19 0.001 -17.527 -26.236 1.00 51.32 H new ATOM 0 HG2 PRO A 19 2.570 -18.877 -27.042 1.00 70.33 H new ATOM 0 HG3 PRO A 19 2.085 -17.208 -27.271 1.00 70.33 H new ATOM 0 HD2 PRO A 19 3.762 -17.944 -25.255 1.00 33.44 H new ATOM 0 HD3 PRO A 19 2.649 -16.602 -25.076 1.00 33.44 H new ATOM 310 N SER A 20 -0.122 -21.151 -25.676 1.00 21.10 N ATOM 311 CA SER A 20 -0.147 -22.598 -25.855 1.00 70.02 C ATOM 312 C SER A 20 -0.356 -23.307 -24.521 1.00 32.23 C ATOM 313 O SER A 20 0.357 -24.254 -24.190 1.00 20.40 O ATOM 314 CB SER A 20 1.155 -23.076 -26.501 1.00 50.10 C ATOM 315 OG SER A 20 1.076 -24.446 -26.855 1.00 53.44 O ATOM 0 H SER A 20 -0.878 -20.654 -26.147 1.00 21.10 H new ATOM 0 HA SER A 20 -0.982 -22.843 -26.512 1.00 70.02 H new ATOM 0 HB2 SER A 20 1.365 -22.479 -27.389 1.00 50.10 H new ATOM 0 HB3 SER A 20 1.985 -22.923 -25.811 1.00 50.10 H new ATOM 0 HG SER A 20 0.855 -24.977 -26.061 1.00 53.44 H new ATOM 321 N SER A 21 -1.340 -22.841 -23.758 1.00 21.02 N ATOM 322 CA SER A 21 -1.642 -23.427 -22.457 1.00 62.01 C ATOM 323 C SER A 21 -2.824 -24.387 -22.555 1.00 25.01 C ATOM 324 O SER A 21 -3.978 -23.964 -22.612 1.00 11.13 O ATOM 325 CB SER A 21 -1.946 -22.328 -21.437 1.00 41.02 C ATOM 326 OG SER A 21 -0.824 -21.484 -21.247 1.00 44.00 O ATOM 0 H SER A 21 -1.942 -22.059 -24.018 1.00 21.02 H new ATOM 0 HA SER A 21 -0.767 -23.987 -22.127 1.00 62.01 H new ATOM 0 HB2 SER A 21 -2.796 -21.737 -21.777 1.00 41.02 H new ATOM 0 HB3 SER A 21 -2.231 -22.779 -20.486 1.00 41.02 H new ATOM 0 HG SER A 21 -0.568 -21.488 -20.301 1.00 44.00 H new ATOM 332 N SER A 22 -2.526 -25.682 -22.574 1.00 24.30 N ATOM 333 CA SER A 22 -3.562 -26.704 -22.669 1.00 10.34 C ATOM 334 C SER A 22 -3.559 -27.597 -21.432 1.00 22.11 C ATOM 335 O SER A 22 -4.613 -28.005 -20.945 1.00 20.14 O ATOM 336 CB SER A 22 -3.358 -27.552 -23.925 1.00 73.22 C ATOM 337 OG SER A 22 -2.332 -28.510 -23.733 1.00 5.20 O ATOM 0 H SER A 22 -1.575 -26.049 -22.525 1.00 24.30 H new ATOM 0 HA SER A 22 -4.528 -26.203 -22.731 1.00 10.34 H new ATOM 0 HB2 SER A 22 -4.289 -28.058 -24.181 1.00 73.22 H new ATOM 0 HB3 SER A 22 -3.104 -26.907 -24.766 1.00 73.22 H new ATOM 0 HG SER A 22 -2.223 -29.040 -24.550 1.00 5.20 H new ATOM 343 N SER A 23 -2.365 -27.897 -20.929 1.00 54.04 N ATOM 344 CA SER A 23 -2.223 -28.745 -19.752 1.00 20.13 C ATOM 345 C SER A 23 -2.919 -28.121 -18.546 1.00 25.23 C ATOM 346 O SER A 23 -3.673 -27.157 -18.679 1.00 32.15 O ATOM 347 CB SER A 23 -0.743 -28.975 -19.439 1.00 32.12 C ATOM 348 OG SER A 23 -0.052 -29.465 -20.575 1.00 21.04 O ATOM 0 H SER A 23 -1.483 -27.565 -21.319 1.00 54.04 H new ATOM 0 HA SER A 23 -2.695 -29.704 -19.966 1.00 20.13 H new ATOM 0 HB2 SER A 23 -0.289 -28.041 -19.108 1.00 32.12 H new ATOM 0 HB3 SER A 23 -0.648 -29.685 -18.617 1.00 32.12 H new ATOM 0 HG SER A 23 0.892 -29.602 -20.350 1.00 21.04 H new ATOM 354 N THR A 24 -2.659 -28.679 -17.367 1.00 10.41 N ATOM 355 CA THR A 24 -3.260 -28.179 -16.137 1.00 22.35 C ATOM 356 C THR A 24 -2.806 -26.754 -15.842 1.00 24.33 C ATOM 357 O THR A 24 -2.945 -26.268 -14.719 1.00 51.43 O ATOM 358 CB THR A 24 -2.908 -29.077 -14.935 1.00 53.01 C ATOM 359 OG1 THR A 24 -1.526 -29.446 -14.987 1.00 63.24 O ATOM 360 CG2 THR A 24 -3.773 -30.329 -14.924 1.00 4.32 C ATOM 0 H THR A 24 -2.037 -29.477 -17.239 1.00 10.41 H new ATOM 0 HA THR A 24 -4.340 -28.189 -16.286 1.00 22.35 H new ATOM 0 HB THR A 24 -3.099 -28.515 -14.021 1.00 53.01 H new ATOM 0 HG1 THR A 24 -1.310 -30.015 -14.219 1.00 63.24 H new ATOM 0 HG21 THR A 24 -3.507 -30.948 -14.067 1.00 4.32 H new ATOM 0 HG22 THR A 24 -4.823 -30.045 -14.855 1.00 4.32 H new ATOM 0 HG23 THR A 24 -3.609 -30.892 -15.843 1.00 4.32 H new ATOM 368 N TYR A 25 -2.262 -26.090 -16.856 1.00 15.14 N ATOM 369 CA TYR A 25 -1.786 -24.720 -16.704 1.00 60.31 C ATOM 370 C TYR A 25 -2.629 -23.960 -15.685 1.00 4.14 C ATOM 371 O TYR A 25 -2.167 -23.653 -14.585 1.00 41.10 O ATOM 372 CB TYR A 25 -1.817 -23.995 -18.051 1.00 35.24 C ATOM 373 CG TYR A 25 -1.509 -22.518 -17.951 1.00 31.45 C ATOM 374 CD1 TYR A 25 -2.503 -21.602 -17.629 1.00 44.41 C ATOM 375 CD2 TYR A 25 -0.225 -22.040 -18.178 1.00 41.42 C ATOM 376 CE1 TYR A 25 -2.226 -20.251 -17.537 1.00 62.32 C ATOM 377 CE2 TYR A 25 0.061 -20.691 -18.087 1.00 23.30 C ATOM 378 CZ TYR A 25 -0.942 -19.801 -17.766 1.00 73.14 C ATOM 379 OH TYR A 25 -0.662 -18.457 -17.676 1.00 65.00 O ATOM 0 H TYR A 25 -2.140 -26.478 -17.791 1.00 15.14 H new ATOM 0 HA TYR A 25 -0.758 -24.757 -16.342 1.00 60.31 H new ATOM 0 HB2 TYR A 25 -1.097 -24.463 -18.723 1.00 35.24 H new ATOM 0 HB3 TYR A 25 -2.802 -24.123 -18.500 1.00 35.24 H new ATOM 0 HD1 TYR A 25 -3.509 -21.951 -17.448 1.00 44.41 H new ATOM 0 HD2 TYR A 25 0.563 -22.734 -18.430 1.00 41.42 H new ATOM 0 HE1 TYR A 25 -3.010 -19.552 -17.287 1.00 62.32 H new ATOM 0 HE2 TYR A 25 1.065 -20.336 -18.266 1.00 23.30 H new ATOM 0 HH TYR A 25 -0.283 -18.260 -16.794 1.00 65.00 H new ATOM 389 N CYS A 26 -3.868 -23.659 -16.058 1.00 30.44 N ATOM 390 CA CYS A 26 -4.778 -22.935 -15.178 1.00 25.31 C ATOM 391 C CYS A 26 -4.872 -23.615 -13.815 1.00 4.54 C ATOM 392 O CYS A 26 -4.515 -23.030 -12.793 1.00 13.23 O ATOM 393 CB CYS A 26 -6.167 -22.843 -15.811 1.00 73.10 C ATOM 394 SG CYS A 26 -6.244 -21.773 -17.283 1.00 71.24 S ATOM 0 H CYS A 26 -4.265 -23.905 -16.964 1.00 30.44 H new ATOM 0 HA CYS A 26 -4.383 -21.929 -15.036 1.00 25.31 H new ATOM 0 HB2 CYS A 26 -6.496 -23.845 -16.086 1.00 73.10 H new ATOM 0 HB3 CYS A 26 -6.870 -22.469 -15.066 1.00 73.10 H new ATOM 399 N ASN A 27 -5.354 -24.853 -13.809 1.00 21.02 N ATOM 400 CA ASN A 27 -5.495 -25.612 -12.572 1.00 32.43 C ATOM 401 C ASN A 27 -4.379 -25.267 -11.591 1.00 22.01 C ATOM 402 O ASN A 27 -4.585 -25.264 -10.378 1.00 22.33 O ATOM 403 CB ASN A 27 -5.484 -27.114 -12.866 1.00 52.34 C ATOM 404 CG ASN A 27 -5.680 -27.950 -11.616 1.00 44.33 C ATOM 405 OD1 ASN A 27 -5.841 -27.416 -10.518 1.00 61.45 O ATOM 406 ND2 ASN A 27 -5.666 -29.268 -11.778 1.00 4.30 N ATOM 0 H ASN A 27 -5.654 -25.352 -14.647 1.00 21.02 H new ATOM 0 HA ASN A 27 -6.449 -25.344 -12.118 1.00 32.43 H new ATOM 0 HB2 ASN A 27 -6.272 -27.347 -13.583 1.00 52.34 H new ATOM 0 HB3 ASN A 27 -4.537 -27.383 -13.335 1.00 52.34 H new ATOM 0 HD21 ASN A 27 -5.792 -29.882 -10.973 1.00 4.30 H new ATOM 0 HD22 ASN A 27 -5.529 -29.666 -12.707 1.00 4.30 H new ATOM 413 N GLN A 28 -3.197 -24.976 -12.126 1.00 75.11 N ATOM 414 CA GLN A 28 -2.049 -24.629 -11.298 1.00 23.43 C ATOM 415 C GLN A 28 -1.891 -23.116 -11.191 1.00 71.14 C ATOM 416 O GLN A 28 -2.101 -22.534 -10.128 1.00 15.20 O ATOM 417 CB GLN A 28 -0.773 -25.248 -11.873 1.00 13.22 C ATOM 418 CG GLN A 28 -0.480 -26.641 -11.341 1.00 64.32 C ATOM 419 CD GLN A 28 0.710 -27.288 -12.024 1.00 12.43 C ATOM 420 OE1 GLN A 28 1.706 -27.618 -11.379 1.00 73.24 O ATOM 421 NE2 GLN A 28 0.612 -27.472 -13.335 1.00 41.31 N ATOM 0 H GLN A 28 -3.010 -24.974 -13.129 1.00 75.11 H new ATOM 0 HA GLN A 28 -2.220 -25.029 -10.299 1.00 23.43 H new ATOM 0 HB2 GLN A 28 -0.858 -25.293 -12.959 1.00 13.22 H new ATOM 0 HB3 GLN A 28 0.071 -24.597 -11.646 1.00 13.22 H new ATOM 0 HG2 GLN A 28 -0.292 -26.584 -10.269 1.00 64.32 H new ATOM 0 HG3 GLN A 28 -1.359 -27.271 -11.478 1.00 64.32 H new ATOM 0 HE21 GLN A 28 -0.232 -27.183 -13.829 1.00 41.31 H new ATOM 0 HE22 GLN A 28 1.381 -27.902 -13.848 1.00 41.31 H new ATOM 430 N MET A 29 -1.519 -22.486 -12.301 1.00 12.43 N ATOM 431 CA MET A 29 -1.334 -21.039 -12.332 1.00 33.43 C ATOM 432 C MET A 29 -2.293 -20.348 -11.368 1.00 12.13 C ATOM 433 O MET A 29 -1.872 -19.774 -10.364 1.00 42.21 O ATOM 434 CB MET A 29 -1.547 -20.507 -13.750 1.00 44.02 C ATOM 435 CG MET A 29 -0.559 -21.064 -14.763 1.00 32.44 C ATOM 436 SD MET A 29 1.030 -21.488 -14.023 1.00 14.13 S ATOM 437 CE MET A 29 1.654 -19.861 -13.607 1.00 33.43 C ATOM 0 H MET A 29 -1.340 -22.954 -13.190 1.00 12.43 H new ATOM 0 HA MET A 29 -0.313 -20.821 -12.019 1.00 33.43 H new ATOM 0 HB2 MET A 29 -2.560 -20.749 -14.072 1.00 44.02 H new ATOM 0 HB3 MET A 29 -1.468 -19.420 -13.737 1.00 44.02 H new ATOM 0 HG2 MET A 29 -0.986 -21.951 -15.231 1.00 32.44 H new ATOM 0 HG3 MET A 29 -0.403 -20.330 -15.554 1.00 32.44 H new ATOM 0 HE1 MET A 29 2.651 -19.735 -14.029 1.00 33.43 H new ATOM 0 HE2 MET A 29 0.988 -19.101 -14.015 1.00 33.43 H new ATOM 0 HE3 MET A 29 1.703 -19.756 -12.523 1.00 33.43 H new ATOM 447 N MET A 30 -3.584 -20.407 -11.680 1.00 3.13 N ATOM 448 CA MET A 30 -4.602 -19.787 -10.840 1.00 3.43 C ATOM 449 C MET A 30 -4.332 -20.063 -9.364 1.00 64.32 C ATOM 450 O MET A 30 -4.463 -19.175 -8.522 1.00 51.22 O ATOM 451 CB MET A 30 -5.991 -20.301 -11.221 1.00 70.11 C ATOM 452 CG MET A 30 -6.404 -19.942 -12.639 1.00 50.42 C ATOM 453 SD MET A 30 -7.802 -18.804 -12.688 1.00 72.11 S ATOM 454 CE MET A 30 -6.957 -17.226 -12.636 1.00 43.10 C ATOM 0 H MET A 30 -3.949 -20.878 -12.508 1.00 3.13 H new ATOM 0 HA MET A 30 -4.564 -18.710 -11.003 1.00 3.43 H new ATOM 0 HB2 MET A 30 -6.012 -21.385 -11.109 1.00 70.11 H new ATOM 0 HB3 MET A 30 -6.724 -19.894 -10.524 1.00 70.11 H new ATOM 0 HG2 MET A 30 -5.557 -19.493 -13.157 1.00 50.42 H new ATOM 0 HG3 MET A 30 -6.663 -20.853 -13.180 1.00 50.42 H new ATOM 0 HE1 MET A 30 -7.526 -16.529 -12.020 1.00 43.10 H new ATOM 0 HE2 MET A 30 -5.963 -17.359 -12.209 1.00 43.10 H new ATOM 0 HE3 MET A 30 -6.868 -16.828 -13.647 1.00 43.10 H new ATOM 464 N ARG A 31 -3.954 -21.300 -9.058 1.00 61.21 N ATOM 465 CA ARG A 31 -3.667 -21.694 -7.684 1.00 10.51 C ATOM 466 C ARG A 31 -2.352 -21.084 -7.207 1.00 61.02 C ATOM 467 O ARG A 31 -2.156 -20.863 -6.012 1.00 50.41 O ATOM 468 CB ARG A 31 -3.606 -23.218 -7.569 1.00 52.22 C ATOM 469 CG ARG A 31 -2.784 -23.707 -6.389 1.00 25.43 C ATOM 470 CD ARG A 31 -1.343 -23.984 -6.790 1.00 71.11 C ATOM 471 NE ARG A 31 -0.396 -23.533 -5.774 1.00 44.25 N ATOM 472 CZ ARG A 31 -0.065 -24.251 -4.707 1.00 62.11 C ATOM 473 NH1 ARG A 31 -0.602 -25.448 -4.517 1.00 63.43 N ATOM 474 NH2 ARG A 31 0.805 -23.772 -3.827 1.00 63.12 N ATOM 0 H ARG A 31 -3.839 -22.047 -9.743 1.00 61.21 H new ATOM 0 HA ARG A 31 -4.472 -21.321 -7.050 1.00 10.51 H new ATOM 0 HB2 ARG A 31 -4.620 -23.608 -7.481 1.00 52.22 H new ATOM 0 HB3 ARG A 31 -3.186 -23.627 -8.488 1.00 52.22 H new ATOM 0 HG2 ARG A 31 -2.805 -22.960 -5.595 1.00 25.43 H new ATOM 0 HG3 ARG A 31 -3.231 -24.615 -5.984 1.00 25.43 H new ATOM 0 HD2 ARG A 31 -1.213 -25.053 -6.958 1.00 71.11 H new ATOM 0 HD3 ARG A 31 -1.127 -23.484 -7.734 1.00 71.11 H new ATOM 0 HE ARG A 31 0.035 -22.616 -5.890 1.00 44.25 H new ATOM 0 HH11 ARG A 31 -1.271 -25.820 -5.191 1.00 63.43 H new ATOM 0 HH12 ARG A 31 -0.346 -25.997 -3.697 1.00 63.43 H new ATOM 0 HH21 ARG A 31 1.220 -22.851 -3.970 1.00 63.12 H new ATOM 0 HH22 ARG A 31 1.058 -24.324 -3.008 1.00 63.12 H new ATOM 488 N ARG A 32 -1.454 -20.816 -8.150 1.00 10.13 N ATOM 489 CA ARG A 32 -0.157 -20.234 -7.826 1.00 11.11 C ATOM 490 C ARG A 32 -0.297 -18.756 -7.474 1.00 51.30 C ATOM 491 O ARG A 32 0.626 -18.146 -6.934 1.00 11.02 O ATOM 492 CB ARG A 32 0.808 -20.400 -9.001 1.00 61.21 C ATOM 493 CG ARG A 32 2.262 -20.150 -8.635 1.00 50.03 C ATOM 494 CD ARG A 32 3.177 -21.209 -9.232 1.00 15.55 C ATOM 495 NE ARG A 32 4.587 -20.867 -9.070 1.00 42.12 N ATOM 496 CZ ARG A 32 5.281 -21.113 -7.965 1.00 23.33 C ATOM 497 NH1 ARG A 32 4.698 -21.700 -6.929 1.00 21.42 N ATOM 498 NH2 ARG A 32 6.562 -20.773 -7.894 1.00 52.41 N ATOM 0 H ARG A 32 -1.601 -20.993 -9.144 1.00 10.13 H new ATOM 0 HA ARG A 32 0.243 -20.760 -6.959 1.00 11.11 H new ATOM 0 HB2 ARG A 32 0.711 -21.410 -9.400 1.00 61.21 H new ATOM 0 HB3 ARG A 32 0.519 -19.714 -9.797 1.00 61.21 H new ATOM 0 HG2 ARG A 32 2.564 -19.165 -8.990 1.00 50.03 H new ATOM 0 HG3 ARG A 32 2.370 -20.144 -7.550 1.00 50.03 H new ATOM 0 HD2 ARG A 32 2.980 -22.169 -8.755 1.00 15.55 H new ATOM 0 HD3 ARG A 32 2.952 -21.327 -10.292 1.00 15.55 H new ATOM 0 HE ARG A 32 5.065 -20.414 -9.849 1.00 42.12 H new ATOM 0 HH11 ARG A 32 3.714 -21.964 -6.980 1.00 21.42 H new ATOM 0 HH12 ARG A 32 5.233 -21.888 -6.081 1.00 21.42 H new ATOM 0 HH21 ARG A 32 7.015 -20.322 -8.689 1.00 52.41 H new ATOM 0 HH22 ARG A 32 7.094 -20.963 -7.044 1.00 52.41 H new ATOM 512 N ARG A 33 -1.457 -18.186 -7.785 1.00 30.24 N ATOM 513 CA ARG A 33 -1.717 -16.780 -7.503 1.00 11.42 C ATOM 514 C ARG A 33 -2.507 -16.622 -6.207 1.00 3.33 C ATOM 515 O ARG A 33 -1.929 -16.462 -5.132 1.00 53.53 O ATOM 516 CB ARG A 33 -2.484 -16.139 -8.661 1.00 51.20 C ATOM 517 CG ARG A 33 -1.685 -16.061 -9.952 1.00 1.14 C ATOM 518 CD ARG A 33 -1.045 -14.693 -10.129 1.00 11.21 C ATOM 519 NE ARG A 33 -0.132 -14.659 -11.269 1.00 34.04 N ATOM 520 CZ ARG A 33 0.701 -13.654 -11.513 1.00 22.11 C ATOM 521 NH1 ARG A 33 0.737 -12.606 -10.701 1.00 64.24 N ATOM 522 NH2 ARG A 33 1.501 -13.696 -12.571 1.00 22.33 N ATOM 0 H ARG A 33 -2.231 -18.677 -8.232 1.00 30.24 H new ATOM 0 HA ARG A 33 -0.758 -16.275 -7.388 1.00 11.42 H new ATOM 0 HB2 ARG A 33 -3.395 -16.709 -8.842 1.00 51.20 H new ATOM 0 HB3 ARG A 33 -2.789 -15.133 -8.371 1.00 51.20 H new ATOM 0 HG2 ARG A 33 -0.911 -16.828 -9.949 1.00 1.14 H new ATOM 0 HG3 ARG A 33 -2.338 -16.271 -10.799 1.00 1.14 H new ATOM 0 HD2 ARG A 33 -1.824 -13.943 -10.266 1.00 11.21 H new ATOM 0 HD3 ARG A 33 -0.502 -14.427 -9.222 1.00 11.21 H new ATOM 0 HE ARG A 33 -0.135 -15.450 -11.913 1.00 34.04 H new ATOM 0 HH11 ARG A 33 0.124 -12.571 -9.887 1.00 64.24 H new ATOM 0 HH12 ARG A 33 1.378 -11.836 -10.891 1.00 64.24 H new ATOM 0 HH21 ARG A 33 1.476 -14.501 -13.197 1.00 22.33 H new ATOM 0 HH22 ARG A 33 2.141 -12.924 -12.758 1.00 22.33 H new ATOM 536 N ASN A 34 -3.830 -16.668 -6.317 1.00 15.31 N ATOM 537 CA ASN A 34 -4.700 -16.529 -5.154 1.00 45.30 C ATOM 538 C ASN A 34 -6.110 -17.020 -5.467 1.00 43.40 C ATOM 539 O ASN A 34 -7.062 -16.697 -4.757 1.00 41.34 O ATOM 540 CB ASN A 34 -4.745 -15.069 -4.697 1.00 32.30 C ATOM 541 CG ASN A 34 -4.565 -14.097 -5.847 1.00 63.41 C ATOM 542 OD1 ASN A 34 -3.543 -14.114 -6.534 1.00 1.45 O ATOM 543 ND2 ASN A 34 -5.559 -13.244 -6.062 1.00 74.31 N ATOM 0 H ASN A 34 -4.324 -16.800 -7.200 1.00 15.31 H new ATOM 0 HA ASN A 34 -4.292 -17.142 -4.350 1.00 45.30 H new ATOM 0 HB2 ASN A 34 -5.698 -14.874 -4.206 1.00 32.30 H new ATOM 0 HB3 ASN A 34 -3.964 -14.899 -3.956 1.00 32.30 H new ATOM 0 HD21 ASN A 34 -5.494 -12.567 -6.822 1.00 74.31 H new ATOM 0 HD22 ASN A 34 -6.387 -13.266 -5.467 1.00 74.31 H new ATOM 550 N MET A 35 -6.235 -17.802 -6.534 1.00 22.11 N ATOM 551 CA MET A 35 -7.528 -18.339 -6.940 1.00 34.33 C ATOM 552 C MET A 35 -7.885 -19.575 -6.120 1.00 33.21 C ATOM 553 O MET A 35 -9.060 -19.857 -5.881 1.00 71.22 O ATOM 554 CB MET A 35 -7.515 -18.687 -8.429 1.00 75.54 C ATOM 555 CG MET A 35 -7.499 -17.469 -9.338 1.00 70.01 C ATOM 556 SD MET A 35 -6.155 -16.331 -8.950 1.00 34.02 S ATOM 557 CE MET A 35 -6.966 -15.233 -7.790 1.00 52.01 C ATOM 0 H MET A 35 -5.457 -18.078 -7.133 1.00 22.11 H new ATOM 0 HA MET A 35 -8.284 -17.574 -6.760 1.00 34.33 H new ATOM 0 HB2 MET A 35 -6.640 -19.301 -8.643 1.00 75.54 H new ATOM 0 HB3 MET A 35 -8.392 -19.291 -8.660 1.00 75.54 H new ATOM 0 HG2 MET A 35 -7.406 -17.795 -10.374 1.00 70.01 H new ATOM 0 HG3 MET A 35 -8.450 -16.944 -9.253 1.00 70.01 H new ATOM 0 HE1 MET A 35 -6.735 -14.199 -8.046 1.00 52.01 H new ATOM 0 HE2 MET A 35 -8.044 -15.387 -7.837 1.00 52.01 H new ATOM 0 HE3 MET A 35 -6.613 -15.445 -6.781 1.00 52.01 H new ATOM 567 N THR A 36 -6.864 -20.311 -5.691 1.00 12.53 N ATOM 568 CA THR A 36 -7.070 -21.517 -4.899 1.00 54.31 C ATOM 569 C THR A 36 -6.450 -21.378 -3.514 1.00 2.13 C ATOM 570 O THR A 36 -6.225 -22.371 -2.823 1.00 23.21 O ATOM 571 CB THR A 36 -6.473 -22.754 -5.595 1.00 71.31 C ATOM 572 OG1 THR A 36 -5.051 -22.772 -5.428 1.00 40.42 O ATOM 573 CG2 THR A 36 -6.815 -22.759 -7.077 1.00 62.24 C ATOM 0 H THR A 36 -5.886 -20.092 -5.879 1.00 12.53 H new ATOM 0 HA THR A 36 -8.147 -21.650 -4.799 1.00 54.31 H new ATOM 0 HB THR A 36 -6.903 -23.644 -5.136 1.00 71.31 H new ATOM 0 HG1 THR A 36 -4.806 -23.469 -4.784 1.00 40.42 H new ATOM 0 HG21 THR A 36 -6.383 -23.642 -7.547 1.00 62.24 H new ATOM 0 HG22 THR A 36 -7.898 -22.776 -7.200 1.00 62.24 H new ATOM 0 HG23 THR A 36 -6.410 -21.863 -7.547 1.00 62.24 H new ATOM 581 N GLN A 37 -6.177 -20.140 -3.114 1.00 64.11 N ATOM 582 CA GLN A 37 -5.582 -19.873 -1.810 1.00 3.21 C ATOM 583 C GLN A 37 -6.510 -20.322 -0.686 1.00 3.30 C ATOM 584 O GLN A 37 -6.108 -21.072 0.202 1.00 23.02 O ATOM 585 CB GLN A 37 -5.269 -18.383 -1.664 1.00 43.44 C ATOM 586 CG GLN A 37 -3.786 -18.061 -1.753 1.00 25.02 C ATOM 587 CD GLN A 37 -3.066 -18.260 -0.434 1.00 3.55 C ATOM 588 OE1 GLN A 37 -2.241 -19.163 -0.293 1.00 31.12 O ATOM 589 NE2 GLN A 37 -3.374 -17.414 0.543 1.00 52.34 N ATOM 0 H GLN A 37 -6.358 -19.307 -3.674 1.00 64.11 H new ATOM 0 HA GLN A 37 -4.654 -20.441 -1.739 1.00 3.21 H new ATOM 0 HB2 GLN A 37 -5.799 -17.831 -2.440 1.00 43.44 H new ATOM 0 HB3 GLN A 37 -5.652 -18.032 -0.706 1.00 43.44 H new ATOM 0 HG2 GLN A 37 -3.326 -18.693 -2.513 1.00 25.02 H new ATOM 0 HG3 GLN A 37 -3.661 -17.028 -2.079 1.00 25.02 H new ATOM 0 HE21 GLN A 37 -4.064 -16.680 0.383 1.00 52.34 H new ATOM 0 HE22 GLN A 37 -2.921 -17.499 1.453 1.00 52.34 H new ATOM 598 N GLY A 38 -7.754 -19.856 -0.731 1.00 75.22 N ATOM 599 CA GLY A 38 -8.720 -20.220 0.289 1.00 30.03 C ATOM 600 C GLY A 38 -9.834 -21.094 -0.252 1.00 22.42 C ATOM 601 O GLY A 38 -10.276 -22.030 0.414 1.00 34.43 O ATOM 0 H GLY A 38 -8.110 -19.233 -1.456 1.00 75.22 H new ATOM 0 HA2 GLY A 38 -8.210 -20.745 1.097 1.00 30.03 H new ATOM 0 HA3 GLY A 38 -9.149 -19.315 0.718 1.00 30.03 H new ATOM 605 N ARG A 39 -10.289 -20.788 -1.462 1.00 72.32 N ATOM 606 CA ARG A 39 -11.360 -21.552 -2.091 1.00 15.40 C ATOM 607 C ARG A 39 -11.051 -21.812 -3.562 1.00 70.43 C ATOM 608 O ARG A 39 -10.172 -21.177 -4.145 1.00 23.10 O ATOM 609 CB ARG A 39 -12.690 -20.806 -1.963 1.00 10.21 C ATOM 610 CG ARG A 39 -12.725 -19.816 -0.810 1.00 24.44 C ATOM 611 CD ARG A 39 -14.052 -19.869 -0.070 1.00 54.01 C ATOM 612 NE ARG A 39 -14.222 -18.733 0.832 1.00 40.13 N ATOM 613 CZ ARG A 39 -15.080 -18.721 1.846 1.00 71.23 C ATOM 614 NH1 ARG A 39 -15.842 -19.779 2.086 1.00 72.23 N ATOM 615 NH2 ARG A 39 -15.177 -17.650 2.622 1.00 2.42 N ATOM 0 H ARG A 39 -9.933 -20.017 -2.027 1.00 72.32 H new ATOM 0 HA ARG A 39 -11.437 -22.511 -1.579 1.00 15.40 H new ATOM 0 HB2 ARG A 39 -12.890 -20.274 -2.893 1.00 10.21 H new ATOM 0 HB3 ARG A 39 -13.493 -21.532 -1.832 1.00 10.21 H new ATOM 0 HG2 ARG A 39 -11.912 -20.034 -0.117 1.00 24.44 H new ATOM 0 HG3 ARG A 39 -12.559 -18.808 -1.190 1.00 24.44 H new ATOM 0 HD2 ARG A 39 -14.869 -19.884 -0.791 1.00 54.01 H new ATOM 0 HD3 ARG A 39 -14.112 -20.796 0.500 1.00 54.01 H new ATOM 0 HE ARG A 39 -13.650 -17.903 0.675 1.00 40.13 H new ATOM 0 HH11 ARG A 39 -15.770 -20.605 1.491 1.00 72.23 H new ATOM 0 HH12 ARG A 39 -16.500 -19.767 2.865 1.00 72.23 H new ATOM 0 HH21 ARG A 39 -14.592 -16.834 2.441 1.00 2.42 H new ATOM 0 HH22 ARG A 39 -15.836 -17.642 3.400 1.00 2.42 H new ATOM 629 N CYS A 40 -11.779 -22.751 -4.157 1.00 70.42 N ATOM 630 CA CYS A 40 -11.583 -23.098 -5.560 1.00 2.14 C ATOM 631 C CYS A 40 -12.400 -22.182 -6.466 1.00 35.02 C ATOM 632 O CYS A 40 -13.631 -22.221 -6.460 1.00 31.15 O ATOM 633 CB CYS A 40 -11.972 -24.557 -5.806 1.00 12.15 C ATOM 634 SG CYS A 40 -10.555 -25.694 -5.927 1.00 64.53 S ATOM 0 H CYS A 40 -12.511 -23.286 -3.689 1.00 70.42 H new ATOM 0 HA CYS A 40 -10.527 -22.966 -5.797 1.00 2.14 H new ATOM 0 HB2 CYS A 40 -12.623 -24.890 -4.997 1.00 12.15 H new ATOM 0 HB3 CYS A 40 -12.552 -24.617 -6.727 1.00 12.15 H new ATOM 639 N LYS A 41 -11.708 -21.358 -7.245 1.00 21.12 N ATOM 640 CA LYS A 41 -12.368 -20.433 -8.158 1.00 44.25 C ATOM 641 C LYS A 41 -13.271 -21.182 -9.133 1.00 14.34 C ATOM 642 O LYS A 41 -12.879 -22.177 -9.741 1.00 65.05 O ATOM 643 CB LYS A 41 -11.328 -19.620 -8.933 1.00 64.20 C ATOM 644 CG LYS A 41 -11.827 -18.254 -9.372 1.00 24.33 C ATOM 645 CD LYS A 41 -11.999 -17.317 -8.188 1.00 60.12 C ATOM 646 CE LYS A 41 -10.693 -16.625 -7.830 1.00 65.31 C ATOM 647 NZ LYS A 41 -10.714 -16.082 -6.444 1.00 33.43 N ATOM 0 H LYS A 41 -10.689 -21.312 -7.262 1.00 21.12 H new ATOM 0 HA LYS A 41 -12.984 -19.755 -7.566 1.00 44.25 H new ATOM 0 HB2 LYS A 41 -10.443 -19.491 -8.311 1.00 64.20 H new ATOM 0 HB3 LYS A 41 -11.020 -20.185 -9.813 1.00 64.20 H new ATOM 0 HG2 LYS A 41 -11.123 -17.819 -10.082 1.00 24.33 H new ATOM 0 HG3 LYS A 41 -12.779 -18.363 -9.892 1.00 24.33 H new ATOM 0 HD2 LYS A 41 -12.756 -16.569 -8.422 1.00 60.12 H new ATOM 0 HD3 LYS A 41 -12.362 -17.879 -7.328 1.00 60.12 H new ATOM 0 HE2 LYS A 41 -9.869 -17.331 -7.931 1.00 65.31 H new ATOM 0 HE3 LYS A 41 -10.507 -15.815 -8.535 1.00 65.31 H new ATOM 0 HZ1 LYS A 41 -9.806 -15.618 -6.239 1.00 33.43 H new ATOM 0 HZ2 LYS A 41 -11.485 -15.389 -6.354 1.00 33.43 H new ATOM 0 HZ3 LYS A 41 -10.866 -16.859 -5.769 1.00 33.43 H new ATOM 661 N PRO A 42 -14.511 -20.693 -9.286 1.00 31.10 N ATOM 662 CA PRO A 42 -15.495 -21.300 -10.187 1.00 34.32 C ATOM 663 C PRO A 42 -15.133 -21.109 -11.655 1.00 43.15 C ATOM 664 O PRO A 42 -15.286 -22.022 -12.467 1.00 52.53 O ATOM 665 CB PRO A 42 -16.789 -20.553 -9.854 1.00 33.12 C ATOM 666 CG PRO A 42 -16.340 -19.240 -9.312 1.00 22.34 C ATOM 667 CD PRO A 42 -15.047 -19.510 -8.592 1.00 72.12 C ATOM 0 HA PRO A 42 -15.562 -22.379 -10.049 1.00 34.32 H new ATOM 0 HB2 PRO A 42 -17.411 -20.424 -10.740 1.00 33.12 H new ATOM 0 HB3 PRO A 42 -17.385 -21.100 -9.123 1.00 33.12 H new ATOM 0 HG2 PRO A 42 -16.197 -18.515 -10.113 1.00 22.34 H new ATOM 0 HG3 PRO A 42 -17.084 -18.822 -8.634 1.00 22.34 H new ATOM 0 HD2 PRO A 42 -14.365 -18.662 -8.658 1.00 72.12 H new ATOM 0 HD3 PRO A 42 -15.210 -19.705 -7.532 1.00 72.12 H new ATOM 675 N VAL A 43 -14.650 -19.916 -11.991 1.00 31.44 N ATOM 676 CA VAL A 43 -14.264 -19.606 -13.362 1.00 1.12 C ATOM 677 C VAL A 43 -13.269 -18.451 -13.405 1.00 32.45 C ATOM 678 O VAL A 43 -13.137 -17.697 -12.442 1.00 25.33 O ATOM 679 CB VAL A 43 -15.490 -19.245 -14.222 1.00 65.22 C ATOM 680 CG1 VAL A 43 -15.183 -19.444 -15.699 1.00 22.03 C ATOM 681 CG2 VAL A 43 -16.696 -20.072 -13.804 1.00 23.24 C ATOM 0 H VAL A 43 -14.517 -19.149 -11.332 1.00 31.44 H new ATOM 0 HA VAL A 43 -13.795 -20.502 -13.769 1.00 1.12 H new ATOM 0 HB VAL A 43 -15.727 -18.193 -14.063 1.00 65.22 H new ATOM 0 HG11 VAL A 43 -16.060 -19.184 -16.291 1.00 22.03 H new ATOM 0 HG12 VAL A 43 -14.349 -18.804 -15.987 1.00 22.03 H new ATOM 0 HG13 VAL A 43 -14.920 -20.486 -15.879 1.00 22.03 H new ATOM 0 HG21 VAL A 43 -17.553 -19.804 -14.422 1.00 23.24 H new ATOM 0 HG22 VAL A 43 -16.473 -21.131 -13.933 1.00 23.24 H new ATOM 0 HG23 VAL A 43 -16.928 -19.874 -12.757 1.00 23.24 H new ATOM 691 N ASN A 44 -12.572 -18.319 -14.528 1.00 71.44 N ATOM 692 CA ASN A 44 -11.588 -17.256 -14.697 1.00 73.12 C ATOM 693 C ASN A 44 -11.165 -17.133 -16.158 1.00 33.21 C ATOM 694 O ASN A 44 -11.451 -18.009 -16.975 1.00 72.10 O ATOM 695 CB ASN A 44 -10.363 -17.523 -13.820 1.00 50.44 C ATOM 696 CG ASN A 44 -9.156 -16.713 -14.252 1.00 41.43 C ATOM 697 OD1 ASN A 44 -8.440 -17.091 -15.180 1.00 12.11 O ATOM 698 ND2 ASN A 44 -8.924 -15.592 -13.579 1.00 52.52 N ATOM 0 H ASN A 44 -12.670 -18.935 -15.335 1.00 71.44 H new ATOM 0 HA ASN A 44 -12.048 -16.317 -14.391 1.00 73.12 H new ATOM 0 HB2 ASN A 44 -10.603 -17.287 -12.783 1.00 50.44 H new ATOM 0 HB3 ASN A 44 -10.117 -18.584 -13.857 1.00 50.44 H new ATOM 0 HD21 ASN A 44 -8.126 -15.006 -13.824 1.00 52.52 H new ATOM 0 HD22 ASN A 44 -9.544 -15.317 -12.817 1.00 52.52 H new ATOM 705 N THR A 45 -10.481 -16.040 -16.480 1.00 52.33 N ATOM 706 CA THR A 45 -10.019 -15.801 -17.842 1.00 21.23 C ATOM 707 C THR A 45 -8.652 -15.127 -17.848 1.00 1.32 C ATOM 708 O THR A 45 -8.542 -13.921 -17.622 1.00 31.41 O ATOM 709 CB THR A 45 -11.014 -14.926 -18.628 1.00 22.53 C ATOM 710 OG1 THR A 45 -12.357 -15.280 -18.280 1.00 53.51 O ATOM 711 CG2 THR A 45 -10.812 -15.091 -20.127 1.00 34.25 C ATOM 0 H THR A 45 -10.234 -15.306 -15.816 1.00 52.33 H new ATOM 0 HA THR A 45 -9.943 -16.775 -18.325 1.00 21.23 H new ATOM 0 HB THR A 45 -10.834 -13.883 -18.366 1.00 22.53 H new ATOM 0 HG1 THR A 45 -12.984 -14.719 -18.782 1.00 53.51 H new ATOM 0 HG21 THR A 45 -11.525 -14.464 -20.661 1.00 34.25 H new ATOM 0 HG22 THR A 45 -9.797 -14.794 -20.392 1.00 34.25 H new ATOM 0 HG23 THR A 45 -10.968 -16.134 -20.403 1.00 34.25 H new ATOM 719 N PHE A 46 -7.611 -15.911 -18.109 1.00 34.25 N ATOM 720 CA PHE A 46 -6.250 -15.389 -18.144 1.00 32.22 C ATOM 721 C PHE A 46 -6.016 -14.567 -19.408 1.00 24.13 C ATOM 722 O PHE A 46 -6.911 -14.417 -20.239 1.00 63.15 O ATOM 723 CB PHE A 46 -5.240 -16.536 -18.073 1.00 4.23 C ATOM 724 CG PHE A 46 -4.573 -16.665 -16.733 1.00 44.21 C ATOM 725 CD1 PHE A 46 -5.204 -16.216 -15.584 1.00 64.11 C ATOM 726 CD2 PHE A 46 -3.314 -17.234 -16.623 1.00 72.21 C ATOM 727 CE1 PHE A 46 -4.593 -16.334 -14.350 1.00 2.42 C ATOM 728 CE2 PHE A 46 -2.699 -17.355 -15.392 1.00 3.25 C ATOM 729 CZ PHE A 46 -3.338 -16.903 -14.254 1.00 11.23 C ATOM 0 H PHE A 46 -7.684 -16.910 -18.299 1.00 34.25 H new ATOM 0 HA PHE A 46 -6.113 -14.740 -17.279 1.00 32.22 H new ATOM 0 HB2 PHE A 46 -5.747 -17.471 -18.309 1.00 4.23 H new ATOM 0 HB3 PHE A 46 -4.477 -16.386 -18.837 1.00 4.23 H new ATOM 0 HD1 PHE A 46 -6.185 -15.769 -15.654 1.00 64.11 H new ATOM 0 HD2 PHE A 46 -2.808 -17.587 -17.510 1.00 72.21 H new ATOM 0 HE1 PHE A 46 -5.096 -15.982 -13.462 1.00 2.42 H new ATOM 0 HE2 PHE A 46 -1.719 -17.803 -15.319 1.00 3.25 H new ATOM 0 HZ PHE A 46 -2.857 -16.994 -13.291 1.00 11.23 H new ATOM 739 N VAL A 47 -4.805 -14.036 -19.545 1.00 2.34 N ATOM 740 CA VAL A 47 -4.451 -13.229 -20.706 1.00 62.14 C ATOM 741 C VAL A 47 -2.973 -13.380 -21.050 1.00 53.25 C ATOM 742 O VAL A 47 -2.102 -13.124 -20.219 1.00 22.43 O ATOM 743 CB VAL A 47 -4.763 -11.739 -20.471 1.00 65.13 C ATOM 744 CG1 VAL A 47 -4.196 -10.890 -21.599 1.00 61.43 C ATOM 745 CG2 VAL A 47 -6.262 -11.524 -20.333 1.00 32.40 C ATOM 0 H VAL A 47 -4.053 -14.150 -18.866 1.00 2.34 H new ATOM 0 HA VAL A 47 -5.054 -13.591 -21.539 1.00 62.14 H new ATOM 0 HB VAL A 47 -4.287 -11.429 -19.541 1.00 65.13 H new ATOM 0 HG11 VAL A 47 -4.426 -9.841 -21.416 1.00 61.43 H new ATOM 0 HG12 VAL A 47 -3.115 -11.022 -21.645 1.00 61.43 H new ATOM 0 HG13 VAL A 47 -4.640 -11.199 -22.545 1.00 61.43 H new ATOM 0 HG21 VAL A 47 -6.464 -10.466 -20.167 1.00 32.40 H new ATOM 0 HG22 VAL A 47 -6.762 -11.851 -21.245 1.00 32.40 H new ATOM 0 HG23 VAL A 47 -6.636 -12.101 -19.488 1.00 32.40 H new ATOM 755 N HIS A 48 -2.698 -13.796 -22.283 1.00 4.15 N ATOM 756 CA HIS A 48 -1.324 -13.980 -22.738 1.00 52.30 C ATOM 757 C HIS A 48 -0.799 -12.713 -23.406 1.00 53.53 C ATOM 758 O HIS A 48 0.195 -12.748 -24.130 1.00 24.34 O ATOM 759 CB HIS A 48 -1.240 -15.156 -23.711 1.00 55.24 C ATOM 760 CG HIS A 48 -1.282 -16.494 -23.039 1.00 45.43 C ATOM 761 ND1 HIS A 48 -0.360 -16.889 -22.093 1.00 62.00 N ATOM 762 CD2 HIS A 48 -2.142 -17.529 -23.180 1.00 61.01 C ATOM 763 CE1 HIS A 48 -0.650 -18.110 -21.682 1.00 74.51 C ATOM 764 NE2 HIS A 48 -1.728 -18.521 -22.326 1.00 61.40 N ATOM 0 H HIS A 48 -3.407 -14.012 -22.984 1.00 4.15 H new ATOM 0 HA HIS A 48 -0.704 -14.194 -21.867 1.00 52.30 H new ATOM 0 HB2 HIS A 48 -2.064 -15.089 -24.421 1.00 55.24 H new ATOM 0 HB3 HIS A 48 -0.317 -15.076 -24.286 1.00 55.24 H new ATOM 0 HD1 HIS A 48 0.424 -16.326 -21.762 1.00 62.00 H new ATOM 0 HD2 HIS A 48 -2.995 -17.568 -23.841 1.00 61.01 H new ATOM 0 HE1 HIS A 48 -0.100 -18.676 -20.945 1.00 74.51 H new ATOM 772 N GLU A 49 -1.476 -11.595 -23.159 1.00 63.11 N ATOM 773 CA GLU A 49 -1.077 -10.318 -23.739 1.00 14.32 C ATOM 774 C GLU A 49 -0.659 -9.333 -22.651 1.00 35.15 C ATOM 775 O GLU A 49 -1.121 -9.396 -21.511 1.00 1.22 O ATOM 776 CB GLU A 49 -2.223 -9.727 -24.564 1.00 21.34 C ATOM 777 CG GLU A 49 -1.943 -9.693 -26.057 1.00 34.43 C ATOM 778 CD GLU A 49 -1.088 -10.858 -26.517 1.00 34.12 C ATOM 779 OE1 GLU A 49 -1.177 -11.939 -25.898 1.00 74.41 O ATOM 780 OE2 GLU A 49 -0.330 -10.689 -27.495 1.00 14.35 O ATOM 0 H GLU A 49 -2.302 -11.548 -22.562 1.00 63.11 H new ATOM 0 HA GLU A 49 -0.222 -10.496 -24.392 1.00 14.32 H new ATOM 0 HB2 GLU A 49 -3.126 -10.310 -24.385 1.00 21.34 H new ATOM 0 HB3 GLU A 49 -2.424 -8.713 -24.217 1.00 21.34 H new ATOM 0 HG2 GLU A 49 -2.888 -9.704 -26.600 1.00 34.43 H new ATOM 0 HG3 GLU A 49 -1.442 -8.758 -26.308 1.00 34.43 H new ATOM 787 N PRO A 50 0.236 -8.401 -23.009 1.00 22.03 N ATOM 788 CA PRO A 50 0.737 -7.385 -22.078 1.00 33.11 C ATOM 789 C PRO A 50 -0.330 -6.359 -21.711 1.00 32.31 C ATOM 790 O PRO A 50 -1.254 -6.105 -22.485 1.00 32.31 O ATOM 791 CB PRO A 50 1.873 -6.719 -22.858 1.00 22.05 C ATOM 792 CG PRO A 50 1.529 -6.937 -24.290 1.00 75.33 C ATOM 793 CD PRO A 50 0.829 -8.267 -24.350 1.00 52.10 C ATOM 0 HA PRO A 50 1.051 -7.821 -21.129 1.00 33.11 H new ATOM 0 HB2 PRO A 50 1.943 -5.656 -22.625 1.00 22.05 H new ATOM 0 HB3 PRO A 50 2.837 -7.164 -22.610 1.00 22.05 H new ATOM 0 HG2 PRO A 50 0.885 -6.140 -24.662 1.00 75.33 H new ATOM 0 HG3 PRO A 50 2.425 -6.939 -24.911 1.00 75.33 H new ATOM 0 HD2 PRO A 50 0.068 -8.286 -25.130 1.00 52.10 H new ATOM 0 HD3 PRO A 50 1.525 -9.078 -24.565 1.00 52.10 H new ATOM 801 N LEU A 51 -0.197 -5.772 -20.527 1.00 31.12 N ATOM 802 CA LEU A 51 -1.150 -4.772 -20.057 1.00 70.41 C ATOM 803 C LEU A 51 -1.380 -3.699 -21.116 1.00 62.13 C ATOM 804 O LEU A 51 -2.468 -3.594 -21.683 1.00 2.33 O ATOM 805 CB LEU A 51 -0.648 -4.129 -18.763 1.00 51.03 C ATOM 806 CG LEU A 51 -1.663 -3.278 -17.999 1.00 71.20 C ATOM 807 CD1 LEU A 51 -2.704 -4.162 -17.330 1.00 75.03 C ATOM 808 CD2 LEU A 51 -0.960 -2.406 -16.969 1.00 30.31 C ATOM 0 H LEU A 51 0.561 -5.971 -19.875 1.00 31.12 H new ATOM 0 HA LEU A 51 -2.098 -5.273 -19.862 1.00 70.41 H new ATOM 0 HB2 LEU A 51 -0.295 -4.920 -18.101 1.00 51.03 H new ATOM 0 HB3 LEU A 51 0.213 -3.505 -19.001 1.00 51.03 H new ATOM 0 HG LEU A 51 -2.172 -2.627 -18.710 1.00 71.20 H new ATOM 0 HD11 LEU A 51 -3.418 -3.539 -16.791 1.00 75.03 H new ATOM 0 HD12 LEU A 51 -3.229 -4.743 -18.088 1.00 75.03 H new ATOM 0 HD13 LEU A 51 -2.212 -4.838 -16.631 1.00 75.03 H new ATOM 0 HD21 LEU A 51 -1.698 -1.807 -16.435 1.00 30.31 H new ATOM 0 HD22 LEU A 51 -0.425 -3.039 -16.261 1.00 30.31 H new ATOM 0 HD23 LEU A 51 -0.253 -1.746 -17.472 1.00 30.31 H new ATOM 820 N VAL A 52 -0.347 -2.905 -21.381 1.00 21.22 N ATOM 821 CA VAL A 52 -0.435 -1.842 -22.375 1.00 2.14 C ATOM 822 C VAL A 52 -1.379 -2.226 -23.508 1.00 52.21 C ATOM 823 O VAL A 52 -2.283 -1.467 -23.861 1.00 24.41 O ATOM 824 CB VAL A 52 0.949 -1.509 -22.964 1.00 74.12 C ATOM 825 CG1 VAL A 52 1.488 -2.688 -23.759 1.00 63.31 C ATOM 826 CG2 VAL A 52 0.872 -0.262 -23.831 1.00 54.44 C ATOM 0 H VAL A 52 0.560 -2.978 -20.921 1.00 21.22 H new ATOM 0 HA VAL A 52 -0.825 -0.962 -21.864 1.00 2.14 H new ATOM 0 HB VAL A 52 1.637 -1.311 -22.142 1.00 74.12 H new ATOM 0 HG11 VAL A 52 2.466 -2.435 -24.168 1.00 63.31 H new ATOM 0 HG12 VAL A 52 1.581 -3.555 -23.105 1.00 63.31 H new ATOM 0 HG13 VAL A 52 0.803 -2.920 -24.575 1.00 63.31 H new ATOM 0 HG21 VAL A 52 1.858 -0.041 -24.239 1.00 54.44 H new ATOM 0 HG22 VAL A 52 0.170 -0.430 -24.648 1.00 54.44 H new ATOM 0 HG23 VAL A 52 0.532 0.580 -23.228 1.00 54.44 H new ATOM 836 N ASP A 53 -1.165 -3.408 -24.075 1.00 24.04 N ATOM 837 CA ASP A 53 -1.998 -3.894 -25.168 1.00 60.41 C ATOM 838 C ASP A 53 -3.471 -3.598 -24.902 1.00 44.14 C ATOM 839 O ASP A 53 -4.082 -2.775 -25.584 1.00 42.10 O ATOM 840 CB ASP A 53 -1.795 -5.398 -25.363 1.00 4.22 C ATOM 841 CG ASP A 53 -1.287 -5.738 -26.750 1.00 62.40 C ATOM 842 OD1 ASP A 53 -0.357 -5.054 -27.227 1.00 11.24 O ATOM 843 OD2 ASP A 53 -1.818 -6.690 -27.359 1.00 34.22 O ATOM 0 H ASP A 53 -0.421 -4.048 -23.795 1.00 24.04 H new ATOM 0 HA ASP A 53 -1.700 -3.374 -26.078 1.00 60.41 H new ATOM 0 HB2 ASP A 53 -1.087 -5.766 -24.620 1.00 4.22 H new ATOM 0 HB3 ASP A 53 -2.739 -5.915 -25.188 1.00 4.22 H new ATOM 848 N VAL A 54 -4.035 -4.275 -23.908 1.00 33.04 N ATOM 849 CA VAL A 54 -5.436 -4.084 -23.551 1.00 72.34 C ATOM 850 C VAL A 54 -5.704 -2.645 -23.127 1.00 53.34 C ATOM 851 O VAL A 54 -6.791 -2.114 -23.353 1.00 52.54 O ATOM 852 CB VAL A 54 -5.860 -5.031 -22.412 1.00 44.34 C ATOM 853 CG1 VAL A 54 -7.094 -4.495 -21.704 1.00 11.44 C ATOM 854 CG2 VAL A 54 -6.109 -6.432 -22.950 1.00 15.25 C ATOM 0 H VAL A 54 -3.544 -4.961 -23.335 1.00 33.04 H new ATOM 0 HA VAL A 54 -6.023 -4.313 -24.441 1.00 72.34 H new ATOM 0 HB VAL A 54 -5.049 -5.085 -21.686 1.00 44.34 H new ATOM 0 HG11 VAL A 54 -7.379 -5.177 -20.903 1.00 11.44 H new ATOM 0 HG12 VAL A 54 -6.875 -3.513 -21.284 1.00 11.44 H new ATOM 0 HG13 VAL A 54 -7.914 -4.410 -22.417 1.00 11.44 H new ATOM 0 HG21 VAL A 54 -6.408 -7.088 -22.132 1.00 15.25 H new ATOM 0 HG22 VAL A 54 -6.902 -6.399 -23.697 1.00 15.25 H new ATOM 0 HG23 VAL A 54 -5.196 -6.814 -23.407 1.00 15.25 H new ATOM 864 N GLN A 55 -4.706 -2.019 -22.512 1.00 60.12 N ATOM 865 CA GLN A 55 -4.835 -0.640 -22.056 1.00 63.13 C ATOM 866 C GLN A 55 -5.173 0.288 -23.218 1.00 41.12 C ATOM 867 O GLN A 55 -5.936 1.240 -23.063 1.00 11.34 O ATOM 868 CB GLN A 55 -3.541 -0.181 -21.381 1.00 71.01 C ATOM 869 CG GLN A 55 -3.122 -1.056 -20.211 1.00 63.32 C ATOM 870 CD GLN A 55 -2.778 -0.251 -18.974 1.00 22.03 C ATOM 871 OE1 GLN A 55 -2.217 0.841 -19.066 1.00 2.22 O ATOM 872 NE2 GLN A 55 -3.113 -0.787 -17.806 1.00 73.10 N ATOM 0 H GLN A 55 -3.800 -2.445 -22.318 1.00 60.12 H new ATOM 0 HA GLN A 55 -5.649 -0.598 -21.332 1.00 63.13 H new ATOM 0 HB2 GLN A 55 -2.740 -0.169 -22.120 1.00 71.01 H new ATOM 0 HB3 GLN A 55 -3.667 0.844 -21.031 1.00 71.01 H new ATOM 0 HG2 GLN A 55 -3.928 -1.751 -19.975 1.00 63.32 H new ATOM 0 HG3 GLN A 55 -2.259 -1.655 -20.501 1.00 63.32 H new ATOM 0 HE21 GLN A 55 -3.577 -1.695 -17.776 1.00 73.10 H new ATOM 0 HE22 GLN A 55 -2.906 -0.291 -16.939 1.00 73.10 H new ATOM 881 N ASN A 56 -4.599 0.004 -24.383 1.00 21.42 N ATOM 882 CA ASN A 56 -4.839 0.814 -25.571 1.00 60.03 C ATOM 883 C ASN A 56 -6.309 0.765 -25.975 1.00 74.13 C ATOM 884 O ASN A 56 -6.835 1.710 -26.564 1.00 64.00 O ATOM 885 CB ASN A 56 -3.964 0.330 -26.729 1.00 61.13 C ATOM 886 CG ASN A 56 -2.551 0.876 -26.654 1.00 31.22 C ATOM 887 OD1 ASN A 56 -2.325 1.975 -26.148 1.00 42.44 O ATOM 888 ND2 ASN A 56 -1.592 0.108 -27.158 1.00 34.52 N ATOM 0 H ASN A 56 -3.964 -0.781 -24.529 1.00 21.42 H new ATOM 0 HA ASN A 56 -4.580 1.846 -25.335 1.00 60.03 H new ATOM 0 HB2 ASN A 56 -3.930 -0.759 -26.724 1.00 61.13 H new ATOM 0 HB3 ASN A 56 -4.417 0.631 -27.674 1.00 61.13 H new ATOM 0 HD21 ASN A 56 -0.622 0.422 -27.135 1.00 34.52 H new ATOM 0 HD22 ASN A 56 -1.825 -0.796 -27.568 1.00 34.52 H new ATOM 895 N VAL A 57 -6.969 -0.344 -25.654 1.00 40.33 N ATOM 896 CA VAL A 57 -8.379 -0.516 -25.982 1.00 32.13 C ATOM 897 C VAL A 57 -9.230 0.573 -25.338 1.00 41.24 C ATOM 898 O VAL A 57 -10.119 1.139 -25.975 1.00 34.11 O ATOM 899 CB VAL A 57 -8.897 -1.893 -25.526 1.00 30.14 C ATOM 900 CG1 VAL A 57 -10.286 -2.155 -26.088 1.00 10.52 C ATOM 901 CG2 VAL A 57 -7.929 -2.990 -25.942 1.00 32.41 C ATOM 0 H VAL A 57 -6.549 -1.136 -25.167 1.00 40.33 H new ATOM 0 HA VAL A 57 -8.463 -0.445 -27.066 1.00 32.13 H new ATOM 0 HB VAL A 57 -8.966 -1.894 -24.438 1.00 30.14 H new ATOM 0 HG11 VAL A 57 -10.635 -3.132 -25.755 1.00 10.52 H new ATOM 0 HG12 VAL A 57 -10.972 -1.385 -25.735 1.00 10.52 H new ATOM 0 HG13 VAL A 57 -10.247 -2.135 -27.177 1.00 10.52 H new ATOM 0 HG21 VAL A 57 -8.310 -3.956 -25.612 1.00 32.41 H new ATOM 0 HG22 VAL A 57 -7.826 -2.992 -27.027 1.00 32.41 H new ATOM 0 HG23 VAL A 57 -6.956 -2.809 -25.486 1.00 32.41 H new ATOM 911 N CYS A 58 -8.951 0.863 -24.072 1.00 41.40 N ATOM 912 CA CYS A 58 -9.690 1.885 -23.341 1.00 2.45 C ATOM 913 C CYS A 58 -9.644 3.221 -24.076 1.00 44.43 C ATOM 914 O CYS A 58 -10.422 4.130 -23.786 1.00 32.22 O ATOM 915 CB CYS A 58 -9.118 2.047 -21.931 1.00 1.03 C ATOM 916 SG CYS A 58 -10.373 2.377 -20.652 1.00 72.44 S ATOM 0 H CYS A 58 -8.218 0.404 -23.531 1.00 41.40 H new ATOM 0 HA CYS A 58 -10.730 1.565 -23.270 1.00 2.45 H new ATOM 0 HB2 CYS A 58 -8.573 1.141 -21.665 1.00 1.03 H new ATOM 0 HB3 CYS A 58 -8.396 2.863 -21.935 1.00 1.03 H new ATOM 921 N PHE A 59 -8.726 3.333 -25.031 1.00 2.42 N ATOM 922 CA PHE A 59 -8.577 4.558 -25.808 1.00 41.13 C ATOM 923 C PHE A 59 -8.849 4.300 -27.287 1.00 65.35 C ATOM 924 O PHE A 59 -8.770 5.211 -28.111 1.00 72.42 O ATOM 925 CB PHE A 59 -7.170 5.133 -25.629 1.00 53.24 C ATOM 926 CG PHE A 59 -6.686 5.101 -24.208 1.00 62.21 C ATOM 927 CD1 PHE A 59 -7.214 5.965 -23.262 1.00 61.04 C ATOM 928 CD2 PHE A 59 -5.703 4.206 -23.817 1.00 62.15 C ATOM 929 CE1 PHE A 59 -6.769 5.938 -21.954 1.00 72.31 C ATOM 930 CE2 PHE A 59 -5.254 4.174 -22.510 1.00 74.24 C ATOM 931 CZ PHE A 59 -5.789 5.040 -21.577 1.00 52.23 C ATOM 0 H PHE A 59 -8.074 2.590 -25.285 1.00 2.42 H new ATOM 0 HA PHE A 59 -9.306 5.281 -25.443 1.00 41.13 H new ATOM 0 HB2 PHE A 59 -6.475 4.572 -26.254 1.00 53.24 H new ATOM 0 HB3 PHE A 59 -7.159 6.163 -25.985 1.00 53.24 H new ATOM 0 HD1 PHE A 59 -7.982 6.667 -23.550 1.00 61.04 H new ATOM 0 HD2 PHE A 59 -5.283 3.525 -24.542 1.00 62.15 H new ATOM 0 HE1 PHE A 59 -7.187 6.618 -21.227 1.00 72.31 H new ATOM 0 HE2 PHE A 59 -4.486 3.473 -22.219 1.00 74.24 H new ATOM 0 HZ PHE A 59 -5.442 5.015 -20.555 1.00 52.23 H new ATOM 941 N GLN A 60 -9.167 3.052 -27.615 1.00 72.41 N ATOM 942 CA GLN A 60 -9.449 2.673 -28.995 1.00 31.23 C ATOM 943 C GLN A 60 -10.952 2.642 -29.255 1.00 4.24 C ATOM 944 O GLN A 60 -11.479 3.469 -29.998 1.00 2.12 O ATOM 945 CB GLN A 60 -8.838 1.306 -29.305 1.00 62.54 C ATOM 946 CG GLN A 60 -7.319 1.292 -29.252 1.00 44.04 C ATOM 947 CD GLN A 60 -6.693 0.839 -30.557 1.00 31.32 C ATOM 948 OE1 GLN A 60 -6.572 1.616 -31.504 1.00 0.21 O ATOM 949 NE2 GLN A 60 -6.291 -0.426 -30.613 1.00 54.20 N ATOM 0 H GLN A 60 -9.236 2.286 -26.945 1.00 72.41 H new ATOM 0 HA GLN A 60 -9.001 3.421 -29.649 1.00 31.23 H new ATOM 0 HB2 GLN A 60 -9.225 0.575 -28.595 1.00 62.54 H new ATOM 0 HB3 GLN A 60 -9.162 0.989 -30.296 1.00 62.54 H new ATOM 0 HG2 GLN A 60 -6.959 2.291 -29.008 1.00 44.04 H new ATOM 0 HG3 GLN A 60 -6.993 0.631 -28.449 1.00 44.04 H new ATOM 0 HE21 GLN A 60 -6.411 -1.035 -29.804 1.00 54.20 H new ATOM 0 HE22 GLN A 60 -5.863 -0.788 -31.465 1.00 54.20 H new ATOM 958 N GLU A 61 -11.635 1.683 -28.638 1.00 4.05 N ATOM 959 CA GLU A 61 -13.077 1.545 -28.804 1.00 64.12 C ATOM 960 C GLU A 61 -13.793 1.664 -27.462 1.00 72.42 C ATOM 961 O GLU A 61 -13.159 1.815 -26.418 1.00 12.33 O ATOM 962 CB GLU A 61 -13.411 0.201 -29.456 1.00 44.51 C ATOM 963 CG GLU A 61 -14.779 0.168 -30.115 1.00 52.44 C ATOM 964 CD GLU A 61 -15.237 1.538 -30.578 1.00 70.11 C ATOM 965 OE1 GLU A 61 -14.571 2.118 -31.461 1.00 55.15 O ATOM 966 OE2 GLU A 61 -16.260 2.030 -30.057 1.00 62.52 O ATOM 0 H GLU A 61 -11.213 0.991 -28.019 1.00 4.05 H new ATOM 0 HA GLU A 61 -13.421 2.351 -29.452 1.00 64.12 H new ATOM 0 HB2 GLU A 61 -12.651 -0.030 -30.203 1.00 44.51 H new ATOM 0 HB3 GLU A 61 -13.362 -0.582 -28.700 1.00 44.51 H new ATOM 0 HG2 GLU A 61 -14.751 -0.509 -30.969 1.00 52.44 H new ATOM 0 HG3 GLU A 61 -15.507 -0.236 -29.412 1.00 52.44 H new ATOM 973 N LYS A 62 -15.120 1.594 -27.498 1.00 64.04 N ATOM 974 CA LYS A 62 -15.925 1.693 -26.287 1.00 22.32 C ATOM 975 C LYS A 62 -17.187 0.844 -26.401 1.00 62.45 C ATOM 976 O LYS A 62 -17.646 0.542 -27.503 1.00 61.31 O ATOM 977 CB LYS A 62 -16.301 3.151 -26.017 1.00 54.34 C ATOM 978 CG LYS A 62 -17.021 3.360 -24.696 1.00 61.31 C ATOM 979 CD LYS A 62 -18.525 3.460 -24.890 1.00 23.33 C ATOM 980 CE LYS A 62 -18.919 4.790 -25.512 1.00 12.41 C ATOM 981 NZ LYS A 62 -19.795 5.587 -24.609 1.00 31.03 N ATOM 0 H LYS A 62 -15.660 1.469 -28.354 1.00 64.04 H new ATOM 0 HA LYS A 62 -15.330 1.318 -25.454 1.00 22.32 H new ATOM 0 HB2 LYS A 62 -15.396 3.759 -26.028 1.00 54.34 H new ATOM 0 HB3 LYS A 62 -16.935 3.510 -26.827 1.00 54.34 H new ATOM 0 HG2 LYS A 62 -16.794 2.534 -24.022 1.00 61.31 H new ATOM 0 HG3 LYS A 62 -16.653 4.269 -24.220 1.00 61.31 H new ATOM 0 HD2 LYS A 62 -18.866 2.644 -25.527 1.00 23.33 H new ATOM 0 HD3 LYS A 62 -19.025 3.344 -23.929 1.00 23.33 H new ATOM 0 HE2 LYS A 62 -18.021 5.362 -25.745 1.00 12.41 H new ATOM 0 HE3 LYS A 62 -19.436 4.611 -26.455 1.00 12.41 H new ATOM 0 HZ1 LYS A 62 -20.069 6.471 -25.083 1.00 31.03 H new ATOM 0 HZ2 LYS A 62 -20.648 5.038 -24.380 1.00 31.03 H new ATOM 0 HZ3 LYS A 62 -19.280 5.809 -23.733 1.00 31.03 H new ATOM 995 N VAL A 63 -17.744 0.462 -25.257 1.00 13.45 N ATOM 996 CA VAL A 63 -18.955 -0.350 -25.229 1.00 0.42 C ATOM 997 C VAL A 63 -19.872 0.070 -24.085 1.00 62.22 C ATOM 998 O VAL A 63 -19.507 0.903 -23.255 1.00 22.43 O ATOM 999 CB VAL A 63 -18.623 -1.847 -25.084 1.00 15.31 C ATOM 1000 CG1 VAL A 63 -17.417 -2.212 -25.936 1.00 13.43 C ATOM 1001 CG2 VAL A 63 -18.382 -2.200 -23.624 1.00 41.40 C ATOM 0 H VAL A 63 -17.376 0.702 -24.336 1.00 13.45 H new ATOM 0 HA VAL A 63 -19.467 -0.189 -26.178 1.00 0.42 H new ATOM 0 HB VAL A 63 -19.476 -2.426 -25.438 1.00 15.31 H new ATOM 0 HG11 VAL A 63 -17.198 -3.273 -25.820 1.00 13.43 H new ATOM 0 HG12 VAL A 63 -17.633 -1.998 -26.983 1.00 13.43 H new ATOM 0 HG13 VAL A 63 -16.555 -1.627 -25.616 1.00 13.43 H new ATOM 0 HG21 VAL A 63 -18.149 -3.261 -23.540 1.00 41.40 H new ATOM 0 HG22 VAL A 63 -17.547 -1.614 -23.241 1.00 41.40 H new ATOM 0 HG23 VAL A 63 -19.277 -1.978 -23.043 1.00 41.40 H new ATOM 1011 N THR A 64 -21.066 -0.513 -24.047 1.00 70.31 N ATOM 1012 CA THR A 64 -22.037 -0.200 -23.006 1.00 25.21 C ATOM 1013 C THR A 64 -21.930 -1.179 -21.842 1.00 64.13 C ATOM 1014 O THR A 64 -21.208 -2.174 -21.919 1.00 3.24 O ATOM 1015 CB THR A 64 -23.476 -0.226 -23.553 1.00 71.44 C ATOM 1016 OG1 THR A 64 -23.469 0.031 -24.962 1.00 72.21 O ATOM 1017 CG2 THR A 64 -24.342 0.807 -22.848 1.00 71.54 C ATOM 0 H THR A 64 -21.384 -1.205 -24.726 1.00 70.31 H new ATOM 0 HA THR A 64 -21.809 0.806 -22.654 1.00 25.21 H new ATOM 0 HB THR A 64 -23.894 -1.215 -23.367 1.00 71.44 H new ATOM 0 HG1 THR A 64 -24.388 0.011 -25.303 1.00 72.21 H new ATOM 0 HG21 THR A 64 -25.354 0.770 -23.251 1.00 71.54 H new ATOM 0 HG22 THR A 64 -24.369 0.591 -21.780 1.00 71.54 H new ATOM 0 HG23 THR A 64 -23.924 1.801 -23.007 1.00 71.54 H new ATOM 1025 N CYS A 65 -22.653 -0.892 -20.765 1.00 40.12 N ATOM 1026 CA CYS A 65 -22.640 -1.747 -19.585 1.00 31.04 C ATOM 1027 C CYS A 65 -24.022 -1.803 -18.939 1.00 25.43 C ATOM 1028 O CYS A 65 -24.942 -1.098 -19.352 1.00 71.23 O ATOM 1029 CB CYS A 65 -21.612 -1.239 -18.572 1.00 50.50 C ATOM 1030 SG CYS A 65 -19.995 -2.071 -18.673 1.00 44.50 S ATOM 0 H CYS A 65 -23.256 -0.073 -20.685 1.00 40.12 H new ATOM 0 HA CYS A 65 -22.363 -2.753 -19.899 1.00 31.04 H new ATOM 0 HB2 CYS A 65 -21.468 -0.169 -18.722 1.00 50.50 H new ATOM 0 HB3 CYS A 65 -22.013 -1.369 -17.567 1.00 50.50 H new ATOM 1035 N LYS A 66 -24.159 -2.647 -17.922 1.00 21.34 N ATOM 1036 CA LYS A 66 -25.426 -2.796 -17.216 1.00 72.11 C ATOM 1037 C LYS A 66 -26.039 -1.434 -16.906 1.00 32.35 C ATOM 1038 O LYS A 66 -27.194 -1.172 -17.239 1.00 61.54 O ATOM 1039 CB LYS A 66 -25.222 -3.583 -15.920 1.00 34.24 C ATOM 1040 CG LYS A 66 -26.351 -4.552 -15.612 1.00 52.13 C ATOM 1041 CD LYS A 66 -27.403 -3.917 -14.719 1.00 14.41 C ATOM 1042 CE LYS A 66 -28.810 -4.275 -15.173 1.00 31.01 C ATOM 1043 NZ LYS A 66 -29.664 -4.717 -14.036 1.00 12.02 N ATOM 0 H LYS A 66 -23.407 -3.239 -17.568 1.00 21.34 H new ATOM 0 HA LYS A 66 -26.111 -3.345 -17.862 1.00 72.11 H new ATOM 0 HB2 LYS A 66 -24.286 -4.138 -15.985 1.00 34.24 H new ATOM 0 HB3 LYS A 66 -25.120 -2.882 -15.091 1.00 34.24 H new ATOM 0 HG2 LYS A 66 -26.813 -4.881 -16.543 1.00 52.13 H new ATOM 0 HG3 LYS A 66 -25.947 -5.440 -15.125 1.00 52.13 H new ATOM 0 HD2 LYS A 66 -27.256 -4.247 -13.691 1.00 14.41 H new ATOM 0 HD3 LYS A 66 -27.282 -2.834 -14.726 1.00 14.41 H new ATOM 0 HE2 LYS A 66 -29.267 -3.411 -15.656 1.00 31.01 H new ATOM 0 HE3 LYS A 66 -28.760 -5.068 -15.919 1.00 31.01 H new ATOM 0 HZ1 LYS A 66 -30.615 -4.952 -14.387 1.00 12.02 H new ATOM 0 HZ2 LYS A 66 -29.242 -5.557 -13.591 1.00 12.02 H new ATOM 0 HZ3 LYS A 66 -29.733 -3.951 -13.335 1.00 12.02 H new ATOM 1057 N ASN A 67 -25.257 -0.571 -16.266 1.00 15.43 N ATOM 1058 CA ASN A 67 -25.724 0.765 -15.911 1.00 41.03 C ATOM 1059 C ASN A 67 -25.987 1.599 -17.161 1.00 74.25 C ATOM 1060 O ASN A 67 -26.675 2.617 -17.107 1.00 50.54 O ATOM 1061 CB ASN A 67 -24.695 1.468 -15.023 1.00 52.12 C ATOM 1062 CG ASN A 67 -23.291 1.389 -15.591 1.00 32.12 C ATOM 1063 OD1 ASN A 67 -22.983 0.509 -16.394 1.00 72.53 O ATOM 1064 ND2 ASN A 67 -22.432 2.311 -15.174 1.00 2.42 N ATOM 0 H ASN A 67 -24.298 -0.772 -15.983 1.00 15.43 H new ATOM 0 HA ASN A 67 -26.659 0.662 -15.361 1.00 41.03 H new ATOM 0 HB2 ASN A 67 -24.977 2.514 -14.903 1.00 52.12 H new ATOM 0 HB3 ASN A 67 -24.708 1.018 -14.030 1.00 52.12 H new ATOM 0 HD21 ASN A 67 -21.473 2.308 -15.521 1.00 2.42 H new ATOM 0 HD22 ASN A 67 -22.731 3.022 -14.507 1.00 2.42 H new ATOM 1071 N GLY A 68 -25.435 1.158 -18.288 1.00 33.32 N ATOM 1072 CA GLY A 68 -25.622 1.874 -19.536 1.00 14.21 C ATOM 1073 C GLY A 68 -24.643 3.020 -19.699 1.00 71.43 C ATOM 1074 O GLY A 68 -25.000 4.081 -20.209 1.00 15.44 O ATOM 0 H GLY A 68 -24.862 0.317 -18.358 1.00 33.32 H new ATOM 0 HA2 GLY A 68 -25.508 1.181 -20.370 1.00 14.21 H new ATOM 0 HA3 GLY A 68 -26.640 2.261 -19.580 1.00 14.21 H new ATOM 1078 N GLN A 69 -23.406 2.805 -19.265 1.00 24.42 N ATOM 1079 CA GLN A 69 -22.373 3.829 -19.364 1.00 1.21 C ATOM 1080 C GLN A 69 -21.215 3.353 -20.235 1.00 55.15 C ATOM 1081 O GLN A 69 -21.213 2.221 -20.717 1.00 24.12 O ATOM 1082 CB GLN A 69 -21.859 4.202 -17.972 1.00 72.30 C ATOM 1083 CG GLN A 69 -22.784 5.140 -17.213 1.00 61.40 C ATOM 1084 CD GLN A 69 -23.264 6.300 -18.062 1.00 64.05 C ATOM 1085 OE1 GLN A 69 -22.479 7.165 -18.453 1.00 64.51 O ATOM 1086 NE2 GLN A 69 -24.559 6.325 -18.354 1.00 1.24 N ATOM 0 H GLN A 69 -23.094 1.931 -18.841 1.00 24.42 H new ATOM 0 HA GLN A 69 -22.815 4.710 -19.829 1.00 1.21 H new ATOM 0 HB2 GLN A 69 -21.720 3.292 -17.389 1.00 72.30 H new ATOM 0 HB3 GLN A 69 -20.880 4.671 -18.069 1.00 72.30 H new ATOM 0 HG2 GLN A 69 -23.646 4.579 -16.850 1.00 61.40 H new ATOM 0 HG3 GLN A 69 -22.264 5.527 -16.337 1.00 61.40 H new ATOM 0 HE21 GLN A 69 -25.174 5.588 -18.009 1.00 1.24 H new ATOM 0 HE22 GLN A 69 -24.939 7.081 -18.923 1.00 1.24 H new ATOM 1095 N GLY A 70 -20.233 4.226 -20.435 1.00 2.42 N ATOM 1096 CA GLY A 70 -19.083 3.877 -21.249 1.00 35.30 C ATOM 1097 C GLY A 70 -17.866 3.529 -20.415 1.00 75.30 C ATOM 1098 O GLY A 70 -16.744 3.896 -20.760 1.00 12.25 O ATOM 0 H GLY A 70 -20.213 5.169 -20.048 1.00 2.42 H new ATOM 0 HA2 GLY A 70 -19.337 3.030 -21.887 1.00 35.30 H new ATOM 0 HA3 GLY A 70 -18.842 4.711 -21.908 1.00 35.30 H new ATOM 1102 N ASN A 71 -18.089 2.819 -19.313 1.00 51.15 N ATOM 1103 CA ASN A 71 -17.001 2.424 -18.426 1.00 72.53 C ATOM 1104 C ASN A 71 -16.331 1.146 -18.923 1.00 51.13 C ATOM 1105 O ASN A 71 -15.296 0.732 -18.401 1.00 63.54 O ATOM 1106 CB ASN A 71 -17.525 2.218 -17.004 1.00 21.35 C ATOM 1107 CG ASN A 71 -18.050 0.813 -16.778 1.00 61.12 C ATOM 1108 OD1 ASN A 71 -19.258 0.597 -16.686 1.00 55.31 O ATOM 1109 ND2 ASN A 71 -17.141 -0.151 -16.688 1.00 42.12 N ATOM 0 H ASN A 71 -19.012 2.506 -19.014 1.00 51.15 H new ATOM 0 HA ASN A 71 -16.260 3.224 -18.421 1.00 72.53 H new ATOM 0 HB2 ASN A 71 -16.725 2.423 -16.292 1.00 21.35 H new ATOM 0 HB3 ASN A 71 -18.320 2.936 -16.805 1.00 21.35 H new ATOM 0 HD21 ASN A 71 -17.434 -1.116 -16.537 1.00 42.12 H new ATOM 0 HD22 ASN A 71 -16.149 0.074 -16.770 1.00 42.12 H new ATOM 1116 N CYS A 72 -16.928 0.527 -19.936 1.00 34.42 N ATOM 1117 CA CYS A 72 -16.391 -0.703 -20.505 1.00 22.34 C ATOM 1118 C CYS A 72 -15.954 -0.488 -21.951 1.00 33.31 C ATOM 1119 O CYS A 72 -16.443 0.415 -22.630 1.00 61.12 O ATOM 1120 CB CYS A 72 -17.434 -1.820 -20.436 1.00 31.31 C ATOM 1121 SG CYS A 72 -19.149 -1.227 -20.278 1.00 73.12 S ATOM 0 H CYS A 72 -17.785 0.858 -20.380 1.00 34.42 H new ATOM 0 HA CYS A 72 -15.519 -0.994 -19.920 1.00 22.34 H new ATOM 0 HB2 CYS A 72 -17.354 -2.433 -21.334 1.00 31.31 H new ATOM 0 HB3 CYS A 72 -17.204 -2.465 -19.588 1.00 31.31 H new ATOM 1126 N TYR A 73 -15.032 -1.324 -22.415 1.00 32.30 N ATOM 1127 CA TYR A 73 -14.528 -1.225 -23.779 1.00 61.05 C ATOM 1128 C TYR A 73 -14.042 -2.582 -24.281 1.00 15.31 C ATOM 1129 O TYR A 73 -13.618 -3.431 -23.498 1.00 31.55 O ATOM 1130 CB TYR A 73 -13.390 -0.205 -23.852 1.00 73.11 C ATOM 1131 CG TYR A 73 -13.522 0.921 -22.852 1.00 51.31 C ATOM 1132 CD1 TYR A 73 -13.271 0.711 -21.502 1.00 4.20 C ATOM 1133 CD2 TYR A 73 -13.897 2.196 -23.258 1.00 13.21 C ATOM 1134 CE1 TYR A 73 -13.391 1.737 -20.585 1.00 4.30 C ATOM 1135 CE2 TYR A 73 -14.018 3.229 -22.348 1.00 74.31 C ATOM 1136 CZ TYR A 73 -13.765 2.994 -21.013 1.00 5.22 C ATOM 1137 OH TYR A 73 -13.884 4.019 -20.103 1.00 2.34 O ATOM 0 H TYR A 73 -14.619 -2.078 -21.866 1.00 32.30 H new ATOM 0 HA TYR A 73 -15.346 -0.893 -24.418 1.00 61.05 H new ATOM 0 HB2 TYR A 73 -12.442 -0.718 -23.686 1.00 73.11 H new ATOM 0 HB3 TYR A 73 -13.354 0.215 -24.857 1.00 73.11 H new ATOM 0 HD1 TYR A 73 -12.977 -0.272 -21.164 1.00 4.20 H new ATOM 0 HD2 TYR A 73 -14.097 2.383 -24.303 1.00 13.21 H new ATOM 0 HE1 TYR A 73 -13.193 1.556 -19.539 1.00 4.30 H new ATOM 0 HE2 TYR A 73 -14.309 4.214 -22.680 1.00 74.31 H new ATOM 0 HH TYR A 73 -13.023 4.162 -19.657 1.00 2.34 H new ATOM 1147 N LYS A 74 -14.108 -2.778 -25.593 1.00 44.34 N ATOM 1148 CA LYS A 74 -13.674 -4.029 -26.203 1.00 62.21 C ATOM 1149 C LYS A 74 -12.439 -3.812 -27.072 1.00 1.23 C ATOM 1150 O LYS A 74 -12.278 -2.757 -27.686 1.00 30.04 O ATOM 1151 CB LYS A 74 -14.803 -4.629 -27.044 1.00 42.02 C ATOM 1152 CG LYS A 74 -14.955 -3.980 -28.409 1.00 14.11 C ATOM 1153 CD LYS A 74 -16.333 -4.236 -28.997 1.00 42.32 C ATOM 1154 CE LYS A 74 -16.408 -3.797 -30.452 1.00 21.13 C ATOM 1155 NZ LYS A 74 -17.600 -4.364 -31.141 1.00 65.53 N ATOM 0 H LYS A 74 -14.458 -2.086 -26.255 1.00 44.34 H new ATOM 0 HA LYS A 74 -13.416 -4.723 -25.403 1.00 62.21 H new ATOM 0 HB2 LYS A 74 -14.619 -5.695 -27.176 1.00 42.02 H new ATOM 0 HB3 LYS A 74 -15.742 -4.533 -26.499 1.00 42.02 H new ATOM 0 HG2 LYS A 74 -14.789 -2.906 -28.323 1.00 14.11 H new ATOM 0 HG3 LYS A 74 -14.192 -4.368 -29.084 1.00 14.11 H new ATOM 0 HD2 LYS A 74 -16.570 -5.297 -28.923 1.00 42.32 H new ATOM 0 HD3 LYS A 74 -17.083 -3.701 -28.415 1.00 42.32 H new ATOM 0 HE2 LYS A 74 -16.443 -2.709 -30.502 1.00 21.13 H new ATOM 0 HE3 LYS A 74 -15.504 -4.111 -30.973 1.00 21.13 H new ATOM 0 HZ1 LYS A 74 -17.615 -4.042 -32.130 1.00 65.53 H new ATOM 0 HZ2 LYS A 74 -17.554 -5.403 -31.116 1.00 65.53 H new ATOM 0 HZ3 LYS A 74 -18.464 -4.044 -30.659 1.00 65.53 H new ATOM 1169 N SER A 75 -11.570 -4.817 -27.120 1.00 13.33 N ATOM 1170 CA SER A 75 -10.349 -4.734 -27.912 1.00 24.14 C ATOM 1171 C SER A 75 -10.659 -4.322 -29.347 1.00 41.14 C ATOM 1172 O SER A 75 -11.810 -4.354 -29.779 1.00 35.03 O ATOM 1173 CB SER A 75 -9.617 -6.078 -27.901 1.00 52.24 C ATOM 1174 OG SER A 75 -9.832 -6.785 -29.111 1.00 13.43 O ATOM 0 H SER A 75 -11.689 -5.698 -26.620 1.00 13.33 H new ATOM 0 HA SER A 75 -9.707 -3.975 -27.466 1.00 24.14 H new ATOM 0 HB2 SER A 75 -8.549 -5.913 -27.757 1.00 52.24 H new ATOM 0 HB3 SER A 75 -9.963 -6.678 -27.059 1.00 52.24 H new ATOM 0 HG SER A 75 -9.130 -7.460 -29.225 1.00 13.43 H new ATOM 1180 N ASN A 76 -9.621 -3.935 -30.082 1.00 55.44 N ATOM 1181 CA ASN A 76 -9.782 -3.515 -31.470 1.00 0.01 C ATOM 1182 C ASN A 76 -9.761 -4.718 -32.408 1.00 20.00 C ATOM 1183 O ASN A 76 -10.753 -5.017 -33.073 1.00 45.34 O ATOM 1184 CB ASN A 76 -8.676 -2.532 -31.858 1.00 41.24 C ATOM 1185 CG ASN A 76 -9.215 -1.308 -32.574 1.00 31.14 C ATOM 1186 OD1 ASN A 76 -8.993 -1.127 -33.771 1.00 33.10 O ATOM 1187 ND2 ASN A 76 -9.928 -0.461 -31.840 1.00 44.55 N ATOM 0 H ASN A 76 -8.660 -3.903 -29.740 1.00 55.44 H new ATOM 0 HA ASN A 76 -10.749 -3.020 -31.564 1.00 0.01 H new ATOM 0 HB2 ASN A 76 -8.141 -2.219 -30.961 1.00 41.24 H new ATOM 0 HB3 ASN A 76 -7.954 -3.037 -32.500 1.00 41.24 H new ATOM 0 HD21 ASN A 76 -10.317 0.380 -32.266 1.00 44.55 H new ATOM 0 HD22 ASN A 76 -10.087 -0.652 -30.851 1.00 44.55 H new ATOM 1194 N SER A 77 -8.624 -5.405 -32.455 1.00 31.22 N ATOM 1195 CA SER A 77 -8.472 -6.574 -33.313 1.00 73.04 C ATOM 1196 C SER A 77 -8.687 -7.861 -32.522 1.00 53.33 C ATOM 1197 O SER A 77 -9.684 -8.558 -32.710 1.00 20.44 O ATOM 1198 CB SER A 77 -7.084 -6.584 -33.957 1.00 14.50 C ATOM 1199 OG SER A 77 -7.161 -6.933 -35.328 1.00 45.12 O ATOM 0 H SER A 77 -7.795 -5.172 -31.909 1.00 31.22 H new ATOM 0 HA SER A 77 -9.228 -6.519 -34.096 1.00 73.04 H new ATOM 0 HB2 SER A 77 -6.625 -5.601 -33.854 1.00 14.50 H new ATOM 0 HB3 SER A 77 -6.442 -7.292 -33.434 1.00 14.50 H new ATOM 0 HG SER A 77 -6.262 -6.931 -35.717 1.00 45.12 H new ATOM 1205 N SER A 78 -7.745 -8.168 -31.637 1.00 65.32 N ATOM 1206 CA SER A 78 -7.828 -9.373 -30.819 1.00 45.24 C ATOM 1207 C SER A 78 -6.797 -9.338 -29.695 1.00 65.23 C ATOM 1208 O SER A 78 -5.963 -8.435 -29.630 1.00 71.15 O ATOM 1209 CB SER A 78 -7.615 -10.617 -31.684 1.00 30.24 C ATOM 1210 OG SER A 78 -6.237 -10.840 -31.926 1.00 22.50 O ATOM 0 H SER A 78 -6.915 -7.599 -31.468 1.00 65.32 H new ATOM 0 HA SER A 78 -8.823 -9.414 -30.375 1.00 45.24 H new ATOM 0 HB2 SER A 78 -8.046 -11.487 -31.188 1.00 30.24 H new ATOM 0 HB3 SER A 78 -8.139 -10.499 -32.632 1.00 30.24 H new ATOM 0 HG SER A 78 -6.128 -11.641 -32.479 1.00 22.50 H new ATOM 1216 N MET A 79 -6.860 -10.329 -28.812 1.00 15.12 N ATOM 1217 CA MET A 79 -5.932 -10.413 -27.690 1.00 71.33 C ATOM 1218 C MET A 79 -5.842 -11.843 -27.165 1.00 54.41 C ATOM 1219 O MET A 79 -6.804 -12.370 -26.604 1.00 44.21 O ATOM 1220 CB MET A 79 -6.369 -9.471 -26.567 1.00 20.11 C ATOM 1221 CG MET A 79 -5.257 -8.561 -26.070 1.00 73.21 C ATOM 1222 SD MET A 79 -4.466 -7.640 -27.403 1.00 13.32 S ATOM 1223 CE MET A 79 -4.710 -5.956 -26.842 1.00 32.33 C ATOM 0 H MET A 79 -7.544 -11.085 -28.852 1.00 15.12 H new ATOM 0 HA MET A 79 -4.946 -10.112 -28.043 1.00 71.33 H new ATOM 0 HB2 MET A 79 -7.198 -8.858 -26.920 1.00 20.11 H new ATOM 0 HB3 MET A 79 -6.743 -10.063 -25.732 1.00 20.11 H new ATOM 0 HG2 MET A 79 -5.665 -7.860 -25.341 1.00 73.21 H new ATOM 0 HG3 MET A 79 -4.507 -9.159 -25.552 1.00 73.21 H new ATOM 0 HE1 MET A 79 -3.921 -5.321 -27.244 1.00 32.33 H new ATOM 0 HE2 MET A 79 -5.678 -5.594 -27.188 1.00 32.33 H new ATOM 0 HE3 MET A 79 -4.680 -5.927 -25.753 1.00 32.33 H new ATOM 1233 N HIS A 80 -4.683 -12.465 -27.351 1.00 4.04 N ATOM 1234 CA HIS A 80 -4.468 -13.834 -26.895 1.00 10.22 C ATOM 1235 C HIS A 80 -4.769 -13.964 -25.405 1.00 4.33 C ATOM 1236 O HIS A 80 -4.296 -13.166 -24.595 1.00 4.23 O ATOM 1237 CB HIS A 80 -3.029 -14.268 -27.177 1.00 13.04 C ATOM 1238 CG HIS A 80 -2.663 -14.220 -28.628 1.00 24.31 C ATOM 1239 ND1 HIS A 80 -2.386 -13.046 -29.296 1.00 62.21 N ATOM 1240 CD2 HIS A 80 -2.526 -15.211 -29.540 1.00 31.44 C ATOM 1241 CE1 HIS A 80 -2.097 -13.317 -30.556 1.00 63.13 C ATOM 1242 NE2 HIS A 80 -2.174 -14.624 -30.730 1.00 32.21 N ATOM 0 H HIS A 80 -3.878 -12.043 -27.814 1.00 4.04 H new ATOM 0 HA HIS A 80 -5.149 -14.485 -27.443 1.00 10.22 H new ATOM 0 HB2 HIS A 80 -2.348 -13.626 -26.618 1.00 13.04 H new ATOM 0 HB3 HIS A 80 -2.885 -15.283 -26.808 1.00 13.04 H new ATOM 0 HD2 HIS A 80 -2.667 -16.267 -29.364 1.00 31.44 H new ATOM 0 HE1 HIS A 80 -1.841 -12.593 -31.315 1.00 63.13 H new ATOM 0 HE2 HIS A 80 -2.000 -15.117 -31.606 1.00 32.21 H new ATOM 1250 N ILE A 81 -5.558 -14.973 -25.051 1.00 5.51 N ATOM 1251 CA ILE A 81 -5.920 -15.206 -23.659 1.00 33.04 C ATOM 1252 C ILE A 81 -6.032 -16.698 -23.362 1.00 52.34 C ATOM 1253 O ILE A 81 -5.994 -17.528 -24.271 1.00 45.34 O ATOM 1254 CB ILE A 81 -7.253 -14.522 -23.302 1.00 11.13 C ATOM 1255 CG1 ILE A 81 -8.372 -15.027 -24.215 1.00 64.23 C ATOM 1256 CG2 ILE A 81 -7.118 -13.010 -23.408 1.00 25.23 C ATOM 1257 CD1 ILE A 81 -9.152 -16.184 -23.632 1.00 14.24 C ATOM 0 H ILE A 81 -5.958 -15.642 -25.709 1.00 5.51 H new ATOM 0 HA ILE A 81 -5.125 -14.775 -23.050 1.00 33.04 H new ATOM 0 HB ILE A 81 -7.508 -14.773 -22.273 1.00 11.13 H new ATOM 0 HG12 ILE A 81 -9.058 -14.206 -24.424 1.00 64.23 H new ATOM 0 HG13 ILE A 81 -7.942 -15.333 -25.168 1.00 64.23 H new ATOM 0 HG21 ILE A 81 -8.068 -12.541 -23.153 1.00 25.23 H new ATOM 0 HG22 ILE A 81 -6.346 -12.664 -22.720 1.00 25.23 H new ATOM 0 HG23 ILE A 81 -6.842 -12.740 -24.427 1.00 25.23 H new ATOM 0 HD11 ILE A 81 -9.928 -16.490 -24.333 1.00 14.24 H new ATOM 0 HD12 ILE A 81 -8.479 -17.021 -23.449 1.00 14.24 H new ATOM 0 HD13 ILE A 81 -9.612 -15.876 -22.693 1.00 14.24 H new ATOM 1269 N THR A 82 -6.173 -17.033 -22.084 1.00 0.35 N ATOM 1270 CA THR A 82 -6.292 -18.424 -21.667 1.00 24.24 C ATOM 1271 C THR A 82 -7.510 -18.629 -20.774 1.00 54.31 C ATOM 1272 O THR A 82 -7.515 -18.225 -19.611 1.00 41.21 O ATOM 1273 CB THR A 82 -5.033 -18.894 -20.913 1.00 31.11 C ATOM 1274 OG1 THR A 82 -3.936 -18.019 -21.198 1.00 12.34 O ATOM 1275 CG2 THR A 82 -4.667 -20.318 -21.305 1.00 54.42 C ATOM 0 H THR A 82 -6.208 -16.359 -21.319 1.00 0.35 H new ATOM 0 HA THR A 82 -6.407 -19.017 -22.575 1.00 24.24 H new ATOM 0 HB THR A 82 -5.247 -18.872 -19.844 1.00 31.11 H new ATOM 0 HG1 THR A 82 -3.122 -18.548 -21.331 1.00 12.34 H new ATOM 0 HG21 THR A 82 -3.775 -20.628 -20.760 1.00 54.42 H new ATOM 0 HG22 THR A 82 -5.492 -20.986 -21.060 1.00 54.42 H new ATOM 0 HG23 THR A 82 -4.471 -20.361 -22.376 1.00 54.42 H new ATOM 1283 N ASP A 83 -8.542 -19.258 -21.325 1.00 72.42 N ATOM 1284 CA ASP A 83 -9.767 -19.518 -20.578 1.00 31.43 C ATOM 1285 C ASP A 83 -9.509 -20.493 -19.433 1.00 4.43 C ATOM 1286 O ASP A 83 -8.948 -21.570 -19.635 1.00 35.51 O ATOM 1287 CB ASP A 83 -10.847 -20.077 -21.505 1.00 70.34 C ATOM 1288 CG ASP A 83 -12.239 -19.623 -21.113 1.00 51.55 C ATOM 1289 OD1 ASP A 83 -12.382 -18.464 -20.668 1.00 61.25 O ATOM 1290 OD2 ASP A 83 -13.186 -20.425 -21.253 1.00 1.54 O ATOM 0 H ASP A 83 -8.555 -19.597 -22.287 1.00 72.42 H new ATOM 0 HA ASP A 83 -10.113 -18.574 -20.157 1.00 31.43 H new ATOM 0 HB2 ASP A 83 -10.641 -19.764 -22.528 1.00 70.34 H new ATOM 0 HB3 ASP A 83 -10.806 -21.166 -21.491 1.00 70.34 H new ATOM 1295 N CYS A 84 -9.919 -20.106 -18.230 1.00 12.15 N ATOM 1296 CA CYS A 84 -9.731 -20.943 -17.051 1.00 73.51 C ATOM 1297 C CYS A 84 -11.055 -21.168 -16.327 1.00 14.04 C ATOM 1298 O CYS A 84 -11.536 -20.294 -15.605 1.00 51.34 O ATOM 1299 CB CYS A 84 -8.719 -20.302 -16.100 1.00 12.11 C ATOM 1300 SG CYS A 84 -7.072 -20.040 -16.833 1.00 52.20 S ATOM 0 H CYS A 84 -10.384 -19.217 -18.046 1.00 12.15 H new ATOM 0 HA CYS A 84 -9.348 -21.909 -17.380 1.00 73.51 H new ATOM 0 HB2 CYS A 84 -9.111 -19.343 -15.762 1.00 12.11 H new ATOM 0 HB3 CYS A 84 -8.616 -20.933 -15.217 1.00 12.11 H new ATOM 1305 N ARG A 85 -11.639 -22.346 -16.524 1.00 11.53 N ATOM 1306 CA ARG A 85 -12.908 -22.685 -15.890 1.00 64.04 C ATOM 1307 C ARG A 85 -12.876 -24.107 -15.338 1.00 72.35 C ATOM 1308 O ARG A 85 -12.360 -25.023 -15.981 1.00 55.11 O ATOM 1309 CB ARG A 85 -14.056 -22.540 -16.890 1.00 53.22 C ATOM 1310 CG ARG A 85 -15.428 -22.785 -16.282 1.00 44.13 C ATOM 1311 CD ARG A 85 -16.504 -22.872 -17.353 1.00 30.21 C ATOM 1312 NE ARG A 85 -17.802 -23.243 -16.795 1.00 41.22 N ATOM 1313 CZ ARG A 85 -18.959 -22.987 -17.395 1.00 34.43 C ATOM 1314 NH1 ARG A 85 -18.980 -22.364 -18.565 1.00 35.04 N ATOM 1315 NH2 ARG A 85 -20.099 -23.356 -16.824 1.00 31.20 N ATOM 0 H ARG A 85 -11.254 -23.081 -17.117 1.00 11.53 H new ATOM 0 HA ARG A 85 -13.068 -21.995 -15.061 1.00 64.04 H new ATOM 0 HB2 ARG A 85 -14.031 -21.537 -17.316 1.00 53.22 H new ATOM 0 HB3 ARG A 85 -13.902 -23.240 -17.711 1.00 53.22 H new ATOM 0 HG2 ARG A 85 -15.412 -23.710 -15.705 1.00 44.13 H new ATOM 0 HG3 ARG A 85 -15.669 -21.980 -15.587 1.00 44.13 H new ATOM 0 HD2 ARG A 85 -16.589 -21.911 -17.861 1.00 30.21 H new ATOM 0 HD3 ARG A 85 -16.209 -23.605 -18.104 1.00 30.21 H new ATOM 0 HE ARG A 85 -17.821 -23.725 -15.896 1.00 41.22 H new ATOM 0 HH11 ARG A 85 -18.106 -22.080 -19.007 1.00 35.04 H new ATOM 0 HH12 ARG A 85 -19.870 -22.169 -19.023 1.00 35.04 H new ATOM 0 HH21 ARG A 85 -20.087 -23.836 -15.924 1.00 31.20 H new ATOM 0 HH22 ARG A 85 -20.987 -23.159 -17.285 1.00 31.20 H new ATOM 1329 N LEU A 86 -13.430 -24.285 -14.144 1.00 75.24 N ATOM 1330 CA LEU A 86 -13.466 -25.596 -13.505 1.00 1.11 C ATOM 1331 C LEU A 86 -14.050 -26.645 -14.446 1.00 21.14 C ATOM 1332 O LEU A 86 -14.769 -26.317 -15.390 1.00 34.22 O ATOM 1333 CB LEU A 86 -14.289 -25.535 -12.217 1.00 3.32 C ATOM 1334 CG LEU A 86 -13.499 -25.315 -10.926 1.00 32.11 C ATOM 1335 CD1 LEU A 86 -14.429 -25.332 -9.722 1.00 64.33 C ATOM 1336 CD2 LEU A 86 -12.413 -26.371 -10.779 1.00 13.14 C ATOM 0 H LEU A 86 -13.860 -23.538 -13.599 1.00 75.24 H new ATOM 0 HA LEU A 86 -12.443 -25.882 -13.262 1.00 1.11 H new ATOM 0 HB2 LEU A 86 -15.019 -24.732 -12.314 1.00 3.32 H new ATOM 0 HB3 LEU A 86 -14.849 -26.465 -12.123 1.00 3.32 H new ATOM 0 HG LEU A 86 -13.022 -24.336 -10.977 1.00 32.11 H new ATOM 0 HD11 LEU A 86 -13.850 -25.174 -8.812 1.00 64.33 H new ATOM 0 HD12 LEU A 86 -15.169 -24.539 -9.823 1.00 64.33 H new ATOM 0 HD13 LEU A 86 -14.935 -26.296 -9.667 1.00 64.33 H new ATOM 0 HD21 LEU A 86 -11.861 -26.199 -9.855 1.00 13.14 H new ATOM 0 HD22 LEU A 86 -12.869 -27.361 -10.750 1.00 13.14 H new ATOM 0 HD23 LEU A 86 -11.730 -26.311 -11.626 1.00 13.14 H new ATOM 1348 N THR A 87 -13.737 -27.910 -14.180 1.00 55.24 N ATOM 1349 CA THR A 87 -14.232 -29.008 -15.002 1.00 3.51 C ATOM 1350 C THR A 87 -15.641 -29.414 -14.587 1.00 10.34 C ATOM 1351 O THR A 87 -16.106 -30.503 -14.919 1.00 32.13 O ATOM 1352 CB THR A 87 -13.308 -30.237 -14.912 1.00 2.23 C ATOM 1353 OG1 THR A 87 -13.831 -31.175 -13.965 1.00 12.55 O ATOM 1354 CG2 THR A 87 -11.901 -29.827 -14.503 1.00 62.43 C ATOM 0 H THR A 87 -13.144 -28.199 -13.402 1.00 55.24 H new ATOM 0 HA THR A 87 -14.249 -28.650 -16.031 1.00 3.51 H new ATOM 0 HB THR A 87 -13.262 -30.703 -15.896 1.00 2.23 H new ATOM 0 HG1 THR A 87 -13.381 -31.055 -13.103 1.00 12.55 H new ATOM 0 HG21 THR A 87 -11.266 -30.711 -14.446 1.00 62.43 H new ATOM 0 HG22 THR A 87 -11.494 -29.136 -15.241 1.00 62.43 H new ATOM 0 HG23 THR A 87 -11.933 -29.340 -13.528 1.00 62.43 H new ATOM 1362 N ASN A 88 -16.316 -28.530 -13.859 1.00 34.11 N ATOM 1363 CA ASN A 88 -17.674 -28.797 -13.398 1.00 71.53 C ATOM 1364 C ASN A 88 -17.712 -30.034 -12.505 1.00 1.42 C ATOM 1365 O ASN A 88 -18.550 -30.916 -12.683 1.00 71.14 O ATOM 1366 CB ASN A 88 -18.612 -28.988 -14.592 1.00 64.52 C ATOM 1367 CG ASN A 88 -19.900 -28.201 -14.448 1.00 23.45 C ATOM 1368 OD1 ASN A 88 -20.977 -28.776 -14.291 1.00 31.15 O ATOM 1369 ND2 ASN A 88 -19.794 -26.879 -14.500 1.00 42.32 N ATOM 0 H ASN A 88 -15.945 -27.623 -13.576 1.00 34.11 H new ATOM 0 HA ASN A 88 -18.008 -27.939 -12.815 1.00 71.53 H new ATOM 0 HB2 ASN A 88 -18.101 -28.680 -15.504 1.00 64.52 H new ATOM 0 HB3 ASN A 88 -18.847 -30.047 -14.700 1.00 64.52 H new ATOM 0 HD21 ASN A 88 -20.626 -26.297 -14.408 1.00 42.32 H new ATOM 0 HD22 ASN A 88 -18.880 -26.445 -14.632 1.00 42.32 H new ATOM 1376 N GLY A 89 -16.797 -30.089 -11.541 1.00 71.24 N ATOM 1377 CA GLY A 89 -16.743 -31.220 -10.634 1.00 33.40 C ATOM 1378 C GLY A 89 -15.563 -31.147 -9.686 1.00 20.43 C ATOM 1379 O GLY A 89 -15.575 -31.764 -8.621 1.00 24.34 O ATOM 0 H GLY A 89 -16.093 -29.371 -11.373 1.00 71.24 H new ATOM 0 HA2 GLY A 89 -17.667 -31.263 -10.057 1.00 33.40 H new ATOM 0 HA3 GLY A 89 -16.685 -32.143 -11.212 1.00 33.40 H new ATOM 1383 N SER A 90 -14.540 -30.393 -10.074 1.00 0.53 N ATOM 1384 CA SER A 90 -13.344 -30.246 -9.253 1.00 2.33 C ATOM 1385 C SER A 90 -13.528 -29.141 -8.217 1.00 33.25 C ATOM 1386 O SER A 90 -13.615 -27.962 -8.559 1.00 52.11 O ATOM 1387 CB SER A 90 -12.130 -29.938 -10.132 1.00 55.13 C ATOM 1388 OG SER A 90 -12.183 -30.666 -11.347 1.00 32.11 O ATOM 0 H SER A 90 -14.515 -29.874 -10.952 1.00 0.53 H new ATOM 0 HA SER A 90 -13.176 -31.187 -8.730 1.00 2.33 H new ATOM 0 HB2 SER A 90 -12.093 -28.870 -10.346 1.00 55.13 H new ATOM 0 HB3 SER A 90 -11.215 -30.187 -9.594 1.00 55.13 H new ATOM 0 HG SER A 90 -12.032 -31.617 -11.165 1.00 32.11 H new ATOM 1394 N ARG A 91 -13.587 -29.533 -6.948 1.00 13.41 N ATOM 1395 CA ARG A 91 -13.763 -28.577 -5.861 1.00 24.02 C ATOM 1396 C ARG A 91 -12.538 -28.558 -4.950 1.00 72.55 C ATOM 1397 O ARG A 91 -11.727 -29.485 -4.965 1.00 51.30 O ATOM 1398 CB ARG A 91 -15.011 -28.922 -5.047 1.00 13.50 C ATOM 1399 CG ARG A 91 -15.461 -27.805 -4.119 1.00 50.44 C ATOM 1400 CD ARG A 91 -15.812 -26.544 -4.894 1.00 70.24 C ATOM 1401 NE ARG A 91 -16.693 -25.662 -4.134 1.00 42.51 N ATOM 1402 CZ ARG A 91 -18.010 -25.821 -4.063 1.00 43.32 C ATOM 1403 NH1 ARG A 91 -18.595 -26.824 -4.703 1.00 1.21 N ATOM 1404 NH2 ARG A 91 -18.744 -24.976 -3.351 1.00 1.24 N ATOM 0 H ARG A 91 -13.516 -30.505 -6.648 1.00 13.41 H new ATOM 0 HA ARG A 91 -13.885 -27.586 -6.298 1.00 24.02 H new ATOM 0 HB2 ARG A 91 -15.825 -29.165 -5.731 1.00 13.50 H new ATOM 0 HB3 ARG A 91 -14.813 -29.816 -4.456 1.00 13.50 H new ATOM 0 HG2 ARG A 91 -16.328 -28.134 -3.545 1.00 50.44 H new ATOM 0 HG3 ARG A 91 -14.670 -27.585 -3.403 1.00 50.44 H new ATOM 0 HD2 ARG A 91 -14.897 -26.010 -5.150 1.00 70.24 H new ATOM 0 HD3 ARG A 91 -16.295 -26.818 -5.832 1.00 70.24 H new ATOM 0 HE ARG A 91 -16.274 -24.881 -3.630 1.00 42.51 H new ATOM 0 HH11 ARG A 91 -18.034 -27.476 -5.251 1.00 1.21 H new ATOM 0 HH12 ARG A 91 -19.606 -26.944 -4.647 1.00 1.21 H new ATOM 0 HH21 ARG A 91 -18.297 -24.203 -2.857 1.00 1.24 H new ATOM 0 HH22 ARG A 91 -19.755 -25.099 -3.297 1.00 1.24 H new ATOM 1418 N TYR A 92 -12.411 -27.498 -4.160 1.00 71.33 N ATOM 1419 CA TYR A 92 -11.284 -27.358 -3.246 1.00 15.54 C ATOM 1420 C TYR A 92 -11.129 -28.602 -2.377 1.00 13.02 C ATOM 1421 O TYR A 92 -12.102 -29.166 -1.876 1.00 32.21 O ATOM 1422 CB TYR A 92 -11.470 -26.124 -2.361 1.00 12.15 C ATOM 1423 CG TYR A 92 -10.204 -25.685 -1.660 1.00 51.12 C ATOM 1424 CD1 TYR A 92 -9.667 -26.434 -0.621 1.00 23.15 C ATOM 1425 CD2 TYR A 92 -9.546 -24.521 -2.037 1.00 42.01 C ATOM 1426 CE1 TYR A 92 -8.511 -26.037 0.023 1.00 45.31 C ATOM 1427 CE2 TYR A 92 -8.388 -24.117 -1.400 1.00 54.25 C ATOM 1428 CZ TYR A 92 -7.875 -24.878 -0.371 1.00 41.30 C ATOM 1429 OH TYR A 92 -6.723 -24.478 0.267 1.00 41.34 O ATOM 0 H TYR A 92 -13.074 -26.723 -4.134 1.00 71.33 H new ATOM 0 HA TYR A 92 -10.379 -27.238 -3.841 1.00 15.54 H new ATOM 0 HB2 TYR A 92 -11.841 -25.301 -2.972 1.00 12.15 H new ATOM 0 HB3 TYR A 92 -12.235 -26.335 -1.613 1.00 12.15 H new ATOM 0 HD1 TYR A 92 -10.162 -27.343 -0.311 1.00 23.15 H new ATOM 0 HD2 TYR A 92 -9.946 -23.922 -2.841 1.00 42.01 H new ATOM 0 HE1 TYR A 92 -8.108 -26.631 0.830 1.00 45.31 H new ATOM 0 HE2 TYR A 92 -7.888 -23.210 -1.706 1.00 54.25 H new ATOM 0 HH TYR A 92 -6.401 -23.643 -0.132 1.00 41.34 H new ATOM 1439 N PRO A 93 -9.875 -29.041 -2.192 1.00 53.15 N ATOM 1440 CA PRO A 93 -8.710 -28.378 -2.784 1.00 45.22 C ATOM 1441 C PRO A 93 -8.651 -28.549 -4.298 1.00 75.53 C ATOM 1442 O PRO A 93 -8.012 -27.764 -4.997 1.00 73.41 O ATOM 1443 CB PRO A 93 -7.525 -29.084 -2.120 1.00 42.02 C ATOM 1444 CG PRO A 93 -8.050 -30.424 -1.736 1.00 64.31 C ATOM 1445 CD PRO A 93 -9.499 -30.219 -1.393 1.00 10.33 C ATOM 0 HA PRO A 93 -8.729 -27.300 -2.621 1.00 45.22 H new ATOM 0 HB2 PRO A 93 -6.681 -29.171 -2.805 1.00 42.02 H new ATOM 0 HB3 PRO A 93 -7.173 -28.532 -1.249 1.00 42.02 H new ATOM 0 HG2 PRO A 93 -7.940 -31.135 -2.554 1.00 64.31 H new ATOM 0 HG3 PRO A 93 -7.501 -30.829 -0.886 1.00 64.31 H new ATOM 0 HD2 PRO A 93 -10.101 -31.090 -1.653 1.00 10.33 H new ATOM 0 HD3 PRO A 93 -9.638 -30.042 -0.326 1.00 10.33 H new ATOM 1453 N ASN A 94 -9.324 -29.581 -4.798 1.00 63.25 N ATOM 1454 CA ASN A 94 -9.348 -29.856 -6.231 1.00 11.44 C ATOM 1455 C ASN A 94 -9.820 -28.632 -7.011 1.00 21.41 C ATOM 1456 O ASN A 94 -10.983 -28.237 -6.923 1.00 3.42 O ATOM 1457 CB ASN A 94 -10.261 -31.047 -6.527 1.00 60.03 C ATOM 1458 CG ASN A 94 -10.446 -31.948 -5.321 1.00 51.24 C ATOM 1459 OD1 ASN A 94 -11.572 -32.237 -4.916 1.00 1.24 O ATOM 1460 ND2 ASN A 94 -9.338 -32.396 -4.742 1.00 73.14 N ATOM 0 H ASN A 94 -9.859 -30.240 -4.233 1.00 63.25 H new ATOM 0 HA ASN A 94 -8.333 -30.098 -6.547 1.00 11.44 H new ATOM 0 HB2 ASN A 94 -11.234 -30.682 -6.857 1.00 60.03 H new ATOM 0 HB3 ASN A 94 -9.842 -31.627 -7.349 1.00 60.03 H new ATOM 0 HD21 ASN A 94 -9.399 -33.006 -3.927 1.00 73.14 H new ATOM 0 HD22 ASN A 94 -8.426 -32.130 -5.113 1.00 73.14 H new ATOM 1467 N CYS A 95 -8.910 -28.038 -7.775 1.00 41.31 N ATOM 1468 CA CYS A 95 -9.231 -26.860 -8.572 1.00 13.22 C ATOM 1469 C CYS A 95 -9.049 -27.143 -10.060 1.00 60.50 C ATOM 1470 O CYS A 95 -8.946 -26.223 -10.870 1.00 1.42 O ATOM 1471 CB CYS A 95 -8.351 -25.680 -8.155 1.00 22.35 C ATOM 1472 SG CYS A 95 -8.930 -24.812 -6.662 1.00 1.43 S ATOM 0 H CYS A 95 -7.944 -28.353 -7.859 1.00 41.31 H new ATOM 0 HA CYS A 95 -10.276 -26.606 -8.394 1.00 13.22 H new ATOM 0 HB2 CYS A 95 -7.337 -26.040 -7.983 1.00 22.35 H new ATOM 0 HB3 CYS A 95 -8.301 -24.969 -8.979 1.00 22.35 H new ATOM 1477 N ALA A 96 -9.010 -28.424 -10.412 1.00 74.42 N ATOM 1478 CA ALA A 96 -8.843 -28.830 -11.802 1.00 42.22 C ATOM 1479 C ALA A 96 -9.665 -27.946 -12.735 1.00 24.34 C ATOM 1480 O ALA A 96 -10.879 -28.114 -12.854 1.00 45.34 O ATOM 1481 CB ALA A 96 -9.232 -30.290 -11.977 1.00 32.34 C ATOM 0 H ALA A 96 -9.092 -29.199 -9.753 1.00 74.42 H new ATOM 0 HA ALA A 96 -7.792 -28.712 -12.064 1.00 42.22 H new ATOM 0 HB1 ALA A 96 -9.102 -30.579 -13.020 1.00 32.34 H new ATOM 0 HB2 ALA A 96 -8.598 -30.913 -11.346 1.00 32.34 H new ATOM 0 HB3 ALA A 96 -10.275 -30.426 -11.690 1.00 32.34 H new ATOM 1487 N TYR A 97 -8.996 -27.006 -13.392 1.00 50.42 N ATOM 1488 CA TYR A 97 -9.666 -26.093 -14.312 1.00 25.33 C ATOM 1489 C TYR A 97 -9.529 -26.575 -15.753 1.00 2.21 C ATOM 1490 O TYR A 97 -8.895 -27.596 -16.020 1.00 51.15 O ATOM 1491 CB TYR A 97 -9.087 -24.684 -14.176 1.00 52.32 C ATOM 1492 CG TYR A 97 -9.148 -24.137 -12.768 1.00 25.44 C ATOM 1493 CD1 TYR A 97 -10.339 -24.138 -12.052 1.00 4.30 C ATOM 1494 CD2 TYR A 97 -8.014 -23.620 -12.153 1.00 32.02 C ATOM 1495 CE1 TYR A 97 -10.399 -23.639 -10.765 1.00 42.10 C ATOM 1496 CE2 TYR A 97 -8.065 -23.121 -10.866 1.00 3.42 C ATOM 1497 CZ TYR A 97 -9.259 -23.132 -10.176 1.00 52.02 C ATOM 1498 OH TYR A 97 -9.314 -22.634 -8.895 1.00 20.15 O ATOM 0 H TYR A 97 -7.991 -26.856 -13.305 1.00 50.42 H new ATOM 0 HA TYR A 97 -10.725 -26.070 -14.055 1.00 25.33 H new ATOM 0 HB2 TYR A 97 -8.049 -24.693 -14.508 1.00 52.32 H new ATOM 0 HB3 TYR A 97 -9.629 -24.012 -14.842 1.00 52.32 H new ATOM 0 HD1 TYR A 97 -11.233 -24.536 -12.509 1.00 4.30 H new ATOM 0 HD2 TYR A 97 -7.077 -23.608 -12.690 1.00 32.02 H new ATOM 0 HE1 TYR A 97 -11.333 -23.646 -10.223 1.00 42.10 H new ATOM 0 HE2 TYR A 97 -7.174 -22.724 -10.402 1.00 3.42 H new ATOM 0 HH TYR A 97 -9.333 -23.377 -8.256 1.00 20.15 H new ATOM 1508 N ARG A 98 -10.127 -25.831 -16.678 1.00 35.35 N ATOM 1509 CA ARG A 98 -10.074 -26.181 -18.092 1.00 21.32 C ATOM 1510 C ARG A 98 -9.376 -25.088 -18.896 1.00 72.43 C ATOM 1511 O ARG A 98 -9.966 -24.049 -19.195 1.00 61.43 O ATOM 1512 CB ARG A 98 -11.485 -26.408 -18.637 1.00 32.53 C ATOM 1513 CG ARG A 98 -11.859 -27.876 -18.767 1.00 43.03 C ATOM 1514 CD ARG A 98 -12.744 -28.120 -19.979 1.00 54.32 C ATOM 1515 NE ARG A 98 -14.123 -27.699 -19.743 1.00 61.12 N ATOM 1516 CZ ARG A 98 -15.145 -28.070 -20.506 1.00 33.43 C ATOM 1517 NH1 ARG A 98 -14.945 -28.866 -21.547 1.00 52.03 N ATOM 1518 NH2 ARG A 98 -16.371 -27.646 -20.227 1.00 32.15 N ATOM 0 H ARG A 98 -10.654 -24.982 -16.473 1.00 35.35 H new ATOM 0 HA ARG A 98 -9.502 -27.103 -18.191 1.00 21.32 H new ATOM 0 HB2 ARG A 98 -12.202 -25.916 -17.980 1.00 32.53 H new ATOM 0 HB3 ARG A 98 -11.569 -25.933 -19.614 1.00 32.53 H new ATOM 0 HG2 ARG A 98 -10.954 -28.477 -18.849 1.00 43.03 H new ATOM 0 HG3 ARG A 98 -12.377 -28.202 -17.865 1.00 43.03 H new ATOM 0 HD2 ARG A 98 -12.342 -27.580 -20.836 1.00 54.32 H new ATOM 0 HD3 ARG A 98 -12.727 -29.180 -20.233 1.00 54.32 H new ATOM 0 HE ARG A 98 -14.311 -27.087 -18.949 1.00 61.12 H new ATOM 0 HH11 ARG A 98 -14.004 -29.195 -21.764 1.00 52.03 H new ATOM 0 HH12 ARG A 98 -15.732 -29.149 -22.131 1.00 52.03 H new ATOM 0 HH21 ARG A 98 -16.529 -27.035 -19.426 1.00 32.15 H new ATOM 0 HH22 ARG A 98 -17.155 -27.931 -20.814 1.00 32.15 H new ATOM 1532 N THR A 99 -8.116 -25.330 -19.244 1.00 2.41 N ATOM 1533 CA THR A 99 -7.337 -24.366 -20.012 1.00 31.24 C ATOM 1534 C THR A 99 -7.704 -24.416 -21.490 1.00 72.13 C ATOM 1535 O THR A 99 -7.464 -25.417 -22.166 1.00 14.12 O ATOM 1536 CB THR A 99 -5.825 -24.619 -19.861 1.00 10.40 C ATOM 1537 OG1 THR A 99 -5.520 -24.970 -18.507 1.00 24.41 O ATOM 1538 CG2 THR A 99 -5.028 -23.387 -20.262 1.00 51.53 C ATOM 0 H THR A 99 -7.613 -26.185 -19.006 1.00 2.41 H new ATOM 0 HA THR A 99 -7.574 -23.379 -19.615 1.00 31.24 H new ATOM 0 HB THR A 99 -5.549 -25.442 -20.520 1.00 10.40 H new ATOM 0 HG1 THR A 99 -4.876 -25.709 -18.498 1.00 24.41 H new ATOM 0 HG21 THR A 99 -3.963 -23.589 -20.147 1.00 51.53 H new ATOM 0 HG22 THR A 99 -5.240 -23.139 -21.302 1.00 51.53 H new ATOM 0 HG23 THR A 99 -5.309 -22.549 -19.625 1.00 51.53 H new ATOM 1546 N SER A 100 -8.287 -23.330 -21.988 1.00 4.23 N ATOM 1547 CA SER A 100 -8.690 -23.251 -23.387 1.00 22.31 C ATOM 1548 C SER A 100 -7.946 -22.129 -24.104 1.00 51.04 C ATOM 1549 O SER A 100 -8.292 -20.952 -23.997 1.00 30.34 O ATOM 1550 CB SER A 100 -10.200 -23.027 -23.493 1.00 25.33 C ATOM 1551 OG SER A 100 -10.845 -24.159 -24.050 1.00 52.34 O ATOM 0 H SER A 100 -8.491 -22.492 -21.443 1.00 4.23 H new ATOM 0 HA SER A 100 -8.436 -24.196 -23.867 1.00 22.31 H new ATOM 0 HB2 SER A 100 -10.610 -22.820 -22.505 1.00 25.33 H new ATOM 0 HB3 SER A 100 -10.399 -22.151 -24.110 1.00 25.33 H new ATOM 0 HG SER A 100 -11.809 -23.992 -24.106 1.00 52.34 H new ATOM 1557 N PRO A 101 -6.899 -22.500 -24.855 1.00 65.14 N ATOM 1558 CA PRO A 101 -6.083 -21.541 -25.606 1.00 54.33 C ATOM 1559 C PRO A 101 -6.839 -20.936 -26.785 1.00 3.43 C ATOM 1560 O PRO A 101 -7.171 -21.630 -27.746 1.00 25.13 O ATOM 1561 CB PRO A 101 -4.907 -22.386 -26.102 1.00 55.11 C ATOM 1562 CG PRO A 101 -5.436 -23.778 -26.154 1.00 14.44 C ATOM 1563 CD PRO A 101 -6.429 -23.885 -25.030 1.00 35.04 C ATOM 0 HA PRO A 101 -5.785 -20.691 -24.992 1.00 54.33 H new ATOM 0 HB2 PRO A 101 -4.568 -22.055 -27.083 1.00 55.11 H new ATOM 0 HB3 PRO A 101 -4.054 -22.312 -25.428 1.00 55.11 H new ATOM 0 HG2 PRO A 101 -5.910 -23.980 -27.114 1.00 14.44 H new ATOM 0 HG3 PRO A 101 -4.633 -24.505 -26.036 1.00 14.44 H new ATOM 0 HD2 PRO A 101 -7.248 -24.558 -25.281 1.00 35.04 H new ATOM 0 HD3 PRO A 101 -5.967 -24.270 -24.121 1.00 35.04 H new ATOM 1571 N LYS A 102 -7.108 -19.637 -26.705 1.00 44.21 N ATOM 1572 CA LYS A 102 -7.823 -18.937 -27.766 1.00 4.45 C ATOM 1573 C LYS A 102 -7.503 -17.445 -27.744 1.00 70.22 C ATOM 1574 O LYS A 102 -7.405 -16.838 -26.679 1.00 21.05 O ATOM 1575 CB LYS A 102 -9.331 -19.148 -27.618 1.00 10.04 C ATOM 1576 CG LYS A 102 -9.794 -20.534 -28.032 1.00 15.14 C ATOM 1577 CD LYS A 102 -11.300 -20.683 -27.893 1.00 53.33 C ATOM 1578 CE LYS A 102 -11.722 -20.752 -26.434 1.00 21.44 C ATOM 1579 NZ LYS A 102 -13.193 -20.589 -26.273 1.00 33.42 N ATOM 0 H LYS A 102 -6.842 -19.048 -25.916 1.00 44.21 H new ATOM 0 HA LYS A 102 -7.497 -19.347 -28.722 1.00 4.45 H new ATOM 0 HB2 LYS A 102 -9.614 -18.975 -26.580 1.00 10.04 H new ATOM 0 HB3 LYS A 102 -9.854 -18.404 -28.219 1.00 10.04 H new ATOM 0 HG2 LYS A 102 -9.503 -20.723 -29.065 1.00 15.14 H new ATOM 0 HG3 LYS A 102 -9.295 -21.284 -27.418 1.00 15.14 H new ATOM 0 HD2 LYS A 102 -11.796 -19.841 -28.377 1.00 53.33 H new ATOM 0 HD3 LYS A 102 -11.626 -21.585 -28.410 1.00 53.33 H new ATOM 0 HE2 LYS A 102 -11.414 -21.709 -26.012 1.00 21.44 H new ATOM 0 HE3 LYS A 102 -11.207 -19.975 -25.870 1.00 21.44 H new ATOM 0 HZ1 LYS A 102 -13.440 -20.642 -25.264 1.00 33.42 H new ATOM 0 HZ2 LYS A 102 -13.483 -19.665 -26.652 1.00 33.42 H new ATOM 0 HZ3 LYS A 102 -13.685 -21.346 -26.790 1.00 33.42 H new ATOM 1593 N GLU A 103 -7.343 -16.862 -28.928 1.00 54.20 N ATOM 1594 CA GLU A 103 -7.036 -15.441 -29.043 1.00 62.14 C ATOM 1595 C GLU A 103 -8.161 -14.697 -29.756 1.00 14.20 C ATOM 1596 O GLU A 103 -8.452 -14.959 -30.923 1.00 64.13 O ATOM 1597 CB GLU A 103 -5.720 -15.241 -29.798 1.00 23.12 C ATOM 1598 CG GLU A 103 -5.651 -15.998 -31.114 1.00 14.14 C ATOM 1599 CD GLU A 103 -4.426 -15.637 -31.931 1.00 74.03 C ATOM 1600 OE1 GLU A 103 -4.437 -14.569 -32.578 1.00 15.12 O ATOM 1601 OE2 GLU A 103 -3.456 -16.424 -31.924 1.00 13.41 O ATOM 0 H GLU A 103 -7.421 -17.351 -29.820 1.00 54.20 H new ATOM 0 HA GLU A 103 -6.936 -15.035 -28.037 1.00 62.14 H new ATOM 0 HB2 GLU A 103 -5.581 -14.178 -29.993 1.00 23.12 H new ATOM 0 HB3 GLU A 103 -4.894 -15.559 -29.162 1.00 23.12 H new ATOM 0 HG2 GLU A 103 -5.646 -17.069 -30.913 1.00 14.14 H new ATOM 0 HG3 GLU A 103 -6.547 -15.787 -31.697 1.00 14.14 H new ATOM 1608 N ARG A 104 -8.792 -13.768 -29.045 1.00 2.04 N ATOM 1609 CA ARG A 104 -9.887 -12.987 -29.607 1.00 44.24 C ATOM 1610 C ARG A 104 -10.116 -11.713 -28.800 1.00 15.40 C ATOM 1611 O ARG A 104 -9.447 -11.473 -27.795 1.00 3.42 O ATOM 1612 CB ARG A 104 -11.170 -13.819 -29.643 1.00 64.11 C ATOM 1613 CG ARG A 104 -11.905 -13.748 -30.972 1.00 23.44 C ATOM 1614 CD ARG A 104 -12.249 -15.135 -31.492 1.00 62.04 C ATOM 1615 NE ARG A 104 -11.545 -15.444 -32.734 1.00 4.30 N ATOM 1616 CZ ARG A 104 -11.684 -16.589 -33.393 1.00 12.40 C ATOM 1617 NH1 ARG A 104 -12.498 -17.528 -32.931 1.00 53.15 N ATOM 1618 NH2 ARG A 104 -11.009 -16.796 -34.516 1.00 51.54 N ATOM 0 H ARG A 104 -8.563 -13.538 -28.078 1.00 2.04 H new ATOM 0 HA ARG A 104 -9.615 -12.708 -30.625 1.00 44.24 H new ATOM 0 HB2 ARG A 104 -10.925 -14.859 -29.428 1.00 64.11 H new ATOM 0 HB3 ARG A 104 -11.836 -13.478 -28.850 1.00 64.11 H new ATOM 0 HG2 ARG A 104 -12.819 -13.166 -30.853 1.00 23.44 H new ATOM 0 HG3 ARG A 104 -11.287 -13.227 -31.703 1.00 23.44 H new ATOM 0 HD2 ARG A 104 -11.995 -15.879 -30.737 1.00 62.04 H new ATOM 0 HD3 ARG A 104 -13.324 -15.204 -31.658 1.00 62.04 H new ATOM 0 HE ARG A 104 -10.912 -14.742 -33.116 1.00 4.30 H new ATOM 0 HH11 ARG A 104 -13.019 -17.372 -32.068 1.00 53.15 H new ATOM 0 HH12 ARG A 104 -12.603 -18.406 -33.439 1.00 53.15 H new ATOM 0 HH21 ARG A 104 -10.382 -16.076 -34.875 1.00 51.54 H new ATOM 0 HH22 ARG A 104 -11.117 -17.676 -35.021 1.00 51.54 H new ATOM 1632 N HIS A 105 -11.067 -10.898 -29.247 1.00 34.31 N ATOM 1633 CA HIS A 105 -11.386 -9.648 -28.566 1.00 22.30 C ATOM 1634 C HIS A 105 -11.725 -9.900 -27.100 1.00 13.51 C ATOM 1635 O HIS A 105 -12.136 -10.999 -26.728 1.00 22.23 O ATOM 1636 CB HIS A 105 -12.555 -8.949 -29.260 1.00 1.44 C ATOM 1637 CG HIS A 105 -12.344 -8.744 -30.728 1.00 53.23 C ATOM 1638 ND1 HIS A 105 -12.227 -7.497 -31.305 1.00 42.21 N ATOM 1639 CD2 HIS A 105 -12.228 -9.637 -31.739 1.00 13.40 C ATOM 1640 CE1 HIS A 105 -12.050 -7.631 -32.607 1.00 65.42 C ATOM 1641 NE2 HIS A 105 -12.046 -8.920 -32.896 1.00 70.22 N ATOM 0 H HIS A 105 -11.630 -11.081 -30.078 1.00 34.31 H new ATOM 0 HA HIS A 105 -10.509 -9.003 -28.612 1.00 22.30 H new ATOM 0 HB2 HIS A 105 -13.460 -9.537 -29.110 1.00 1.44 H new ATOM 0 HB3 HIS A 105 -12.722 -7.981 -28.787 1.00 1.44 H new ATOM 0 HD2 HIS A 105 -12.271 -10.713 -31.652 1.00 13.40 H new ATOM 0 HE1 HIS A 105 -11.929 -6.824 -33.315 1.00 65.42 H new ATOM 0 HE2 HIS A 105 -11.927 -9.318 -33.828 1.00 70.22 H new ATOM 1649 N ILE A 106 -11.551 -8.874 -26.273 1.00 64.21 N ATOM 1650 CA ILE A 106 -11.839 -8.984 -24.849 1.00 21.55 C ATOM 1651 C ILE A 106 -12.320 -7.654 -24.280 1.00 45.53 C ATOM 1652 O ILE A 106 -11.631 -6.638 -24.384 1.00 41.01 O ATOM 1653 CB ILE A 106 -10.602 -9.450 -24.058 1.00 61.53 C ATOM 1654 CG1 ILE A 106 -9.321 -9.065 -24.801 1.00 24.35 C ATOM 1655 CG2 ILE A 106 -10.656 -10.953 -23.828 1.00 63.41 C ATOM 1656 CD1 ILE A 106 -8.099 -9.014 -23.910 1.00 64.54 C ATOM 0 H ILE A 106 -11.212 -7.957 -26.565 1.00 64.21 H new ATOM 0 HA ILE A 106 -12.629 -9.728 -24.745 1.00 21.55 H new ATOM 0 HB ILE A 106 -10.601 -8.954 -23.088 1.00 61.53 H new ATOM 0 HG12 ILE A 106 -9.146 -9.782 -25.603 1.00 24.35 H new ATOM 0 HG13 ILE A 106 -9.461 -8.091 -25.269 1.00 24.35 H new ATOM 0 HG21 ILE A 106 -9.775 -11.267 -23.268 1.00 63.41 H new ATOM 0 HG22 ILE A 106 -11.554 -11.203 -23.262 1.00 63.41 H new ATOM 0 HG23 ILE A 106 -10.678 -11.468 -24.789 1.00 63.41 H new ATOM 0 HD11 ILE A 106 -7.228 -8.735 -24.503 1.00 64.54 H new ATOM 0 HD12 ILE A 106 -8.253 -8.276 -23.122 1.00 64.54 H new ATOM 0 HD13 ILE A 106 -7.934 -9.994 -23.462 1.00 64.54 H new ATOM 1668 N ILE A 107 -13.504 -7.667 -23.678 1.00 41.22 N ATOM 1669 CA ILE A 107 -14.075 -6.461 -23.091 1.00 31.34 C ATOM 1670 C ILE A 107 -13.745 -6.364 -21.605 1.00 31.50 C ATOM 1671 O ILE A 107 -14.033 -7.279 -20.833 1.00 64.41 O ATOM 1672 CB ILE A 107 -15.604 -6.418 -23.269 1.00 72.12 C ATOM 1673 CG1 ILE A 107 -15.993 -6.938 -24.655 1.00 4.41 C ATOM 1674 CG2 ILE A 107 -16.122 -5.002 -23.064 1.00 64.21 C ATOM 1675 CD1 ILE A 107 -17.440 -7.365 -24.756 1.00 52.22 C ATOM 0 H ILE A 107 -14.087 -8.499 -23.584 1.00 41.22 H new ATOM 0 HA ILE A 107 -13.632 -5.614 -23.616 1.00 31.34 H new ATOM 0 HB ILE A 107 -16.060 -7.063 -22.518 1.00 72.12 H new ATOM 0 HG12 ILE A 107 -15.800 -6.160 -25.393 1.00 4.41 H new ATOM 0 HG13 ILE A 107 -15.354 -7.784 -24.909 1.00 4.41 H new ATOM 0 HG21 ILE A 107 -17.204 -4.988 -23.193 1.00 64.21 H new ATOM 0 HG22 ILE A 107 -15.872 -4.665 -22.058 1.00 64.21 H new ATOM 0 HG23 ILE A 107 -15.661 -4.337 -23.794 1.00 64.21 H new ATOM 0 HD11 ILE A 107 -17.644 -7.722 -25.765 1.00 52.22 H new ATOM 0 HD12 ILE A 107 -17.634 -8.165 -24.042 1.00 52.22 H new ATOM 0 HD13 ILE A 107 -18.086 -6.516 -24.534 1.00 52.22 H new ATOM 1687 N VAL A 108 -13.141 -5.248 -21.210 1.00 61.21 N ATOM 1688 CA VAL A 108 -12.774 -5.029 -19.816 1.00 70.51 C ATOM 1689 C VAL A 108 -13.249 -3.665 -19.330 1.00 54.13 C ATOM 1690 O VAL A 108 -13.584 -2.792 -20.130 1.00 53.04 O ATOM 1691 CB VAL A 108 -11.251 -5.132 -19.614 1.00 25.11 C ATOM 1692 CG1 VAL A 108 -10.861 -6.542 -19.198 1.00 64.44 C ATOM 1693 CG2 VAL A 108 -10.516 -4.718 -20.880 1.00 74.44 C ATOM 0 H VAL A 108 -12.895 -4.481 -21.836 1.00 61.21 H new ATOM 0 HA VAL A 108 -13.264 -5.809 -19.234 1.00 70.51 H new ATOM 0 HB VAL A 108 -10.962 -4.450 -18.814 1.00 25.11 H new ATOM 0 HG11 VAL A 108 -9.781 -6.595 -19.060 1.00 64.44 H new ATOM 0 HG12 VAL A 108 -11.359 -6.796 -18.262 1.00 64.44 H new ATOM 0 HG13 VAL A 108 -11.163 -7.247 -19.973 1.00 64.44 H new ATOM 0 HG21 VAL A 108 -9.441 -4.797 -20.719 1.00 74.44 H new ATOM 0 HG22 VAL A 108 -10.809 -5.372 -21.701 1.00 74.44 H new ATOM 0 HG23 VAL A 108 -10.771 -3.688 -21.128 1.00 74.44 H new ATOM 1703 N ALA A 109 -13.276 -3.488 -18.013 1.00 44.14 N ATOM 1704 CA ALA A 109 -13.708 -2.228 -17.420 1.00 65.43 C ATOM 1705 C ALA A 109 -12.527 -1.469 -16.824 1.00 71.11 C ATOM 1706 O ALA A 109 -12.053 -1.794 -15.735 1.00 41.11 O ATOM 1707 CB ALA A 109 -14.766 -2.481 -16.357 1.00 72.22 C ATOM 0 H ALA A 109 -13.004 -4.201 -17.336 1.00 44.14 H new ATOM 0 HA ALA A 109 -14.141 -1.613 -18.209 1.00 65.43 H new ATOM 0 HB1 ALA A 109 -15.080 -1.532 -15.923 1.00 72.22 H new ATOM 0 HB2 ALA A 109 -15.626 -2.974 -16.810 1.00 72.22 H new ATOM 0 HB3 ALA A 109 -14.352 -3.118 -15.576 1.00 72.22 H new ATOM 1713 N CYS A 110 -12.056 -0.457 -17.545 1.00 11.35 N ATOM 1714 CA CYS A 110 -10.930 0.349 -17.088 1.00 31.22 C ATOM 1715 C CYS A 110 -11.412 1.666 -16.486 1.00 71.20 C ATOM 1716 O CYS A 110 -12.406 2.237 -16.934 1.00 30.45 O ATOM 1717 CB CYS A 110 -9.971 0.626 -18.247 1.00 61.10 C ATOM 1718 SG CYS A 110 -10.763 0.612 -19.887 1.00 53.43 S ATOM 0 H CYS A 110 -12.437 -0.175 -18.448 1.00 11.35 H new ATOM 0 HA CYS A 110 -10.404 -0.212 -16.316 1.00 31.22 H new ATOM 0 HB2 CYS A 110 -9.500 1.597 -18.091 1.00 61.10 H new ATOM 0 HB3 CYS A 110 -9.176 -0.120 -18.233 1.00 61.10 H new ATOM 1723 N GLU A 111 -10.700 2.141 -15.469 1.00 43.33 N ATOM 1724 CA GLU A 111 -11.055 3.390 -14.806 1.00 54.44 C ATOM 1725 C GLU A 111 -9.878 3.935 -14.003 1.00 64.41 C ATOM 1726 O GLU A 111 -8.815 3.317 -13.943 1.00 11.41 O ATOM 1727 CB GLU A 111 -12.260 3.180 -13.887 1.00 13.50 C ATOM 1728 CG GLU A 111 -13.574 3.648 -14.489 1.00 54.54 C ATOM 1729 CD GLU A 111 -14.764 2.857 -13.981 1.00 62.02 C ATOM 1730 OE1 GLU A 111 -14.557 1.937 -13.162 1.00 12.42 O ATOM 1731 OE2 GLU A 111 -15.900 3.157 -14.403 1.00 34.53 O ATOM 0 H GLU A 111 -9.874 1.680 -15.087 1.00 43.33 H new ATOM 0 HA GLU A 111 -11.315 4.118 -15.575 1.00 54.44 H new ATOM 0 HB2 GLU A 111 -12.339 2.121 -13.642 1.00 13.50 H new ATOM 0 HB3 GLU A 111 -12.089 3.712 -12.951 1.00 13.50 H new ATOM 0 HG2 GLU A 111 -13.719 4.703 -14.259 1.00 54.54 H new ATOM 0 HG3 GLU A 111 -13.523 3.563 -15.574 1.00 54.54 H new ATOM 1738 N GLY A 112 -10.075 5.096 -13.387 1.00 51.42 N ATOM 1739 CA GLY A 112 -9.021 5.705 -12.596 1.00 55.34 C ATOM 1740 C GLY A 112 -8.045 6.497 -13.443 1.00 52.52 C ATOM 1741 O GLY A 112 -8.396 6.980 -14.520 1.00 14.55 O ATOM 0 H GLY A 112 -10.946 5.626 -13.421 1.00 51.42 H new ATOM 0 HA2 GLY A 112 -9.465 6.362 -11.849 1.00 55.34 H new ATOM 0 HA3 GLY A 112 -8.481 4.927 -12.056 1.00 55.34 H new ATOM 1745 N SER A 113 -6.816 6.633 -12.956 1.00 10.02 N ATOM 1746 CA SER A 113 -5.787 7.377 -13.673 1.00 12.22 C ATOM 1747 C SER A 113 -4.405 6.788 -13.407 1.00 34.23 C ATOM 1748 O SER A 113 -3.960 6.674 -12.264 1.00 53.04 O ATOM 1749 CB SER A 113 -5.814 8.851 -13.261 1.00 64.55 C ATOM 1750 OG SER A 113 -4.836 9.595 -13.968 1.00 75.11 O ATOM 0 H SER A 113 -6.508 6.238 -12.068 1.00 10.02 H new ATOM 0 HA SER A 113 -5.995 7.301 -14.740 1.00 12.22 H new ATOM 0 HB2 SER A 113 -6.803 9.268 -13.454 1.00 64.55 H new ATOM 0 HB3 SER A 113 -5.636 8.936 -12.189 1.00 64.55 H new ATOM 0 HG SER A 113 -4.874 10.534 -13.689 1.00 75.11 H new ATOM 1756 N PRO A 114 -3.709 6.403 -14.487 1.00 11.23 N ATOM 1757 CA PRO A 114 -4.229 6.533 -15.851 1.00 42.42 C ATOM 1758 C PRO A 114 -5.378 5.570 -16.128 1.00 52.51 C ATOM 1759 O PRO A 114 -5.793 4.814 -15.249 1.00 43.33 O ATOM 1760 CB PRO A 114 -3.020 6.189 -16.725 1.00 53.14 C ATOM 1761 CG PRO A 114 -2.167 5.320 -15.867 1.00 11.50 C ATOM 1762 CD PRO A 114 -2.361 5.811 -14.459 1.00 11.11 C ATOM 0 HA PRO A 114 -4.639 7.525 -16.038 1.00 42.42 H new ATOM 0 HB2 PRO A 114 -3.324 5.671 -17.635 1.00 53.14 H new ATOM 0 HB3 PRO A 114 -2.486 7.088 -17.033 1.00 53.14 H new ATOM 0 HG2 PRO A 114 -2.458 4.274 -15.959 1.00 11.50 H new ATOM 0 HG3 PRO A 114 -1.120 5.386 -16.163 1.00 11.50 H new ATOM 0 HD2 PRO A 114 -2.294 4.997 -13.737 1.00 11.11 H new ATOM 0 HD3 PRO A 114 -1.605 6.546 -14.182 1.00 11.11 H new ATOM 1770 N TYR A 115 -5.889 5.603 -17.354 1.00 44.00 N ATOM 1771 CA TYR A 115 -6.992 4.734 -17.746 1.00 0.12 C ATOM 1772 C TYR A 115 -6.506 3.307 -17.977 1.00 64.35 C ATOM 1773 O TYR A 115 -5.921 2.998 -19.016 1.00 54.13 O ATOM 1774 CB TYR A 115 -7.664 5.268 -19.012 1.00 60.51 C ATOM 1775 CG TYR A 115 -9.154 5.478 -18.864 1.00 41.22 C ATOM 1776 CD1 TYR A 115 -9.695 5.941 -17.671 1.00 23.44 C ATOM 1777 CD2 TYR A 115 -10.021 5.214 -19.917 1.00 60.11 C ATOM 1778 CE1 TYR A 115 -11.055 6.134 -17.530 1.00 74.13 C ATOM 1779 CE2 TYR A 115 -11.383 5.406 -19.786 1.00 63.33 C ATOM 1780 CZ TYR A 115 -11.895 5.866 -18.591 1.00 71.41 C ATOM 1781 OH TYR A 115 -13.251 6.057 -18.456 1.00 72.55 O ATOM 0 H TYR A 115 -5.557 6.222 -18.093 1.00 44.00 H new ATOM 0 HA TYR A 115 -7.719 4.723 -16.934 1.00 0.12 H new ATOM 0 HB2 TYR A 115 -7.198 6.214 -19.289 1.00 60.51 H new ATOM 0 HB3 TYR A 115 -7.483 4.571 -19.831 1.00 60.51 H new ATOM 0 HD1 TYR A 115 -9.040 6.154 -16.839 1.00 23.44 H new ATOM 0 HD2 TYR A 115 -9.624 4.853 -20.854 1.00 60.11 H new ATOM 0 HE1 TYR A 115 -11.459 6.493 -16.595 1.00 74.13 H new ATOM 0 HE2 TYR A 115 -12.043 5.197 -20.615 1.00 63.33 H new ATOM 0 HH TYR A 115 -13.727 5.494 -19.102 1.00 72.55 H new ATOM 1791 N VAL A 116 -6.752 2.439 -17.001 1.00 63.11 N ATOM 1792 CA VAL A 116 -6.341 1.043 -17.097 1.00 53.14 C ATOM 1793 C VAL A 116 -7.477 0.108 -16.698 1.00 23.44 C ATOM 1794 O VAL A 116 -8.362 0.463 -15.919 1.00 22.41 O ATOM 1795 CB VAL A 116 -5.117 0.756 -16.209 1.00 23.44 C ATOM 1796 CG1 VAL A 116 -3.981 1.713 -16.537 1.00 74.04 C ATOM 1797 CG2 VAL A 116 -5.493 0.847 -14.738 1.00 13.34 C ATOM 0 H VAL A 116 -7.234 2.678 -16.134 1.00 63.11 H new ATOM 0 HA VAL A 116 -6.074 0.862 -18.138 1.00 53.14 H new ATOM 0 HB VAL A 116 -4.774 -0.259 -16.411 1.00 23.44 H new ATOM 0 HG11 VAL A 116 -3.125 1.494 -15.899 1.00 74.04 H new ATOM 0 HG12 VAL A 116 -3.695 1.593 -17.582 1.00 74.04 H new ATOM 0 HG13 VAL A 116 -4.308 2.739 -16.366 1.00 74.04 H new ATOM 0 HG21 VAL A 116 -4.616 0.641 -14.125 1.00 13.34 H new ATOM 0 HG22 VAL A 116 -5.863 1.849 -14.518 1.00 13.34 H new ATOM 0 HG23 VAL A 116 -6.271 0.116 -14.515 1.00 13.34 H new ATOM 1807 N PRO A 117 -7.453 -1.118 -17.242 1.00 22.12 N ATOM 1808 CA PRO A 117 -8.473 -2.131 -16.956 1.00 22.34 C ATOM 1809 C PRO A 117 -8.383 -2.657 -15.527 1.00 62.01 C ATOM 1810 O PRO A 117 -7.395 -3.286 -15.147 1.00 42.33 O ATOM 1811 CB PRO A 117 -8.157 -3.246 -17.956 1.00 44.44 C ATOM 1812 CG PRO A 117 -6.706 -3.085 -18.256 1.00 72.11 C ATOM 1813 CD PRO A 117 -6.428 -1.609 -18.178 1.00 60.41 C ATOM 0 HA PRO A 117 -9.482 -1.730 -17.049 1.00 22.34 H new ATOM 0 HB2 PRO A 117 -8.367 -4.228 -17.533 1.00 44.44 H new ATOM 0 HB3 PRO A 117 -8.761 -3.151 -18.858 1.00 44.44 H new ATOM 0 HG2 PRO A 117 -6.096 -3.635 -17.540 1.00 72.11 H new ATOM 0 HG3 PRO A 117 -6.466 -3.475 -19.245 1.00 72.11 H new ATOM 0 HD2 PRO A 117 -5.421 -1.409 -17.812 1.00 60.41 H new ATOM 0 HD3 PRO A 117 -6.514 -1.132 -19.154 1.00 60.41 H new ATOM 1821 N VAL A 118 -9.421 -2.396 -14.739 1.00 22.13 N ATOM 1822 CA VAL A 118 -9.459 -2.845 -13.352 1.00 14.40 C ATOM 1823 C VAL A 118 -10.496 -3.946 -13.159 1.00 63.03 C ATOM 1824 O VAL A 118 -10.849 -4.291 -12.031 1.00 51.50 O ATOM 1825 CB VAL A 118 -9.779 -1.681 -12.394 1.00 63.25 C ATOM 1826 CG1 VAL A 118 -8.762 -0.562 -12.557 1.00 10.54 C ATOM 1827 CG2 VAL A 118 -11.191 -1.169 -12.632 1.00 51.40 C ATOM 0 H VAL A 118 -10.246 -1.876 -15.037 1.00 22.13 H new ATOM 0 HA VAL A 118 -8.469 -3.237 -13.119 1.00 14.40 H new ATOM 0 HB VAL A 118 -9.719 -2.048 -11.369 1.00 63.25 H new ATOM 0 HG11 VAL A 118 -9.003 0.252 -11.873 1.00 10.54 H new ATOM 0 HG12 VAL A 118 -7.765 -0.941 -12.333 1.00 10.54 H new ATOM 0 HG13 VAL A 118 -8.788 -0.193 -13.582 1.00 10.54 H new ATOM 0 HG21 VAL A 118 -11.400 -0.347 -11.947 1.00 51.40 H new ATOM 0 HG22 VAL A 118 -11.282 -0.817 -13.660 1.00 51.40 H new ATOM 0 HG23 VAL A 118 -11.904 -1.975 -12.460 1.00 51.40 H new ATOM 1837 N HIS A 119 -10.980 -4.496 -14.268 1.00 62.24 N ATOM 1838 CA HIS A 119 -11.976 -5.561 -14.222 1.00 1.31 C ATOM 1839 C HIS A 119 -12.144 -6.208 -15.593 1.00 50.33 C ATOM 1840 O HIS A 119 -11.925 -5.569 -16.623 1.00 74.42 O ATOM 1841 CB HIS A 119 -13.318 -5.011 -13.736 1.00 63.52 C ATOM 1842 CG HIS A 119 -14.500 -5.628 -14.419 1.00 23.34 C ATOM 1843 ND1 HIS A 119 -15.550 -6.202 -13.733 1.00 65.21 N ATOM 1844 CD2 HIS A 119 -14.795 -5.757 -15.733 1.00 72.41 C ATOM 1845 CE1 HIS A 119 -16.439 -6.659 -14.597 1.00 22.25 C ATOM 1846 NE2 HIS A 119 -16.005 -6.401 -15.817 1.00 71.52 N ATOM 0 H HIS A 119 -10.699 -4.222 -15.209 1.00 62.24 H new ATOM 0 HA HIS A 119 -11.628 -6.321 -13.522 1.00 1.31 H new ATOM 0 HB2 HIS A 119 -13.402 -5.177 -12.662 1.00 63.52 H new ATOM 0 HB3 HIS A 119 -13.339 -3.933 -13.895 1.00 63.52 H new ATOM 0 HD2 HIS A 119 -14.191 -5.417 -16.561 1.00 72.41 H new ATOM 0 HE1 HIS A 119 -17.363 -7.159 -14.348 1.00 22.25 H new ATOM 0 HE2 HIS A 119 -16.490 -6.641 -16.682 1.00 71.52 H new ATOM 1854 N PHE A 120 -12.533 -7.478 -15.599 1.00 61.40 N ATOM 1855 CA PHE A 120 -12.729 -8.212 -16.844 1.00 25.52 C ATOM 1856 C PHE A 120 -14.208 -8.503 -17.077 1.00 32.42 C ATOM 1857 O PHE A 120 -14.928 -8.892 -16.157 1.00 10.44 O ATOM 1858 CB PHE A 120 -11.938 -9.522 -16.818 1.00 64.11 C ATOM 1859 CG PHE A 120 -11.362 -9.901 -18.153 1.00 34.33 C ATOM 1860 CD1 PHE A 120 -12.188 -10.314 -19.186 1.00 34.53 C ATOM 1861 CD2 PHE A 120 -9.996 -9.844 -18.375 1.00 30.14 C ATOM 1862 CE1 PHE A 120 -11.662 -10.665 -20.414 1.00 45.34 C ATOM 1863 CE2 PHE A 120 -9.463 -10.193 -19.602 1.00 14.35 C ATOM 1864 CZ PHE A 120 -10.298 -10.603 -20.623 1.00 45.40 C ATOM 0 H PHE A 120 -12.719 -8.021 -14.756 1.00 61.40 H new ATOM 0 HA PHE A 120 -12.366 -7.592 -17.663 1.00 25.52 H new ATOM 0 HB2 PHE A 120 -11.128 -9.434 -16.094 1.00 64.11 H new ATOM 0 HB3 PHE A 120 -12.590 -10.324 -16.472 1.00 64.11 H new ATOM 0 HD1 PHE A 120 -13.255 -10.362 -19.029 1.00 34.53 H new ATOM 0 HD2 PHE A 120 -9.339 -9.523 -17.580 1.00 30.14 H new ATOM 0 HE1 PHE A 120 -12.317 -10.988 -21.210 1.00 45.34 H new ATOM 0 HE2 PHE A 120 -8.396 -10.145 -19.762 1.00 14.35 H new ATOM 0 HZ PHE A 120 -9.885 -10.875 -21.583 1.00 45.40 H new ATOM 1874 N ASP A 121 -14.655 -8.312 -18.313 1.00 62.12 N ATOM 1875 CA ASP A 121 -16.048 -8.554 -18.669 1.00 32.12 C ATOM 1876 C ASP A 121 -16.215 -9.929 -19.309 1.00 1.23 C ATOM 1877 O ASP A 121 -16.710 -10.862 -18.678 1.00 25.25 O ATOM 1878 CB ASP A 121 -16.549 -7.469 -19.624 1.00 21.23 C ATOM 1879 CG ASP A 121 -17.862 -6.861 -19.171 1.00 42.24 C ATOM 1880 OD1 ASP A 121 -18.586 -7.522 -18.398 1.00 53.44 O ATOM 1881 OD2 ASP A 121 -18.165 -5.724 -19.591 1.00 72.21 O ATOM 0 H ASP A 121 -14.072 -7.990 -19.086 1.00 62.12 H new ATOM 0 HA ASP A 121 -16.641 -8.524 -17.755 1.00 32.12 H new ATOM 0 HB2 ASP A 121 -15.797 -6.684 -19.704 1.00 21.23 H new ATOM 0 HB3 ASP A 121 -16.673 -7.895 -20.620 1.00 21.23 H new ATOM 1886 N ALA A 122 -15.800 -10.045 -20.566 1.00 23.02 N ATOM 1887 CA ALA A 122 -15.902 -11.305 -21.291 1.00 20.43 C ATOM 1888 C ALA A 122 -15.177 -11.229 -22.630 1.00 41.11 C ATOM 1889 O ALA A 122 -15.053 -10.155 -23.219 1.00 25.11 O ATOM 1890 CB ALA A 122 -17.363 -11.677 -21.500 1.00 24.14 C ATOM 0 H ALA A 122 -15.390 -9.281 -21.103 1.00 23.02 H new ATOM 0 HA ALA A 122 -15.423 -12.080 -20.692 1.00 20.43 H new ATOM 0 HB1 ALA A 122 -17.424 -12.620 -22.043 1.00 24.14 H new ATOM 0 HB2 ALA A 122 -17.854 -11.783 -20.532 1.00 24.14 H new ATOM 0 HB3 ALA A 122 -17.859 -10.895 -22.075 1.00 24.14 H new ATOM 1896 N SER A 123 -14.699 -12.375 -23.106 1.00 14.44 N ATOM 1897 CA SER A 123 -13.982 -12.436 -24.374 1.00 33.22 C ATOM 1898 C SER A 123 -14.952 -12.611 -25.538 1.00 71.34 C ATOM 1899 O SER A 123 -15.705 -13.584 -25.594 1.00 1.14 O ATOM 1900 CB SER A 123 -12.973 -13.586 -24.358 1.00 74.20 C ATOM 1901 OG SER A 123 -13.545 -14.758 -23.803 1.00 62.33 O ATOM 0 H SER A 123 -14.796 -13.273 -22.632 1.00 14.44 H new ATOM 0 HA SER A 123 -13.448 -11.495 -24.508 1.00 33.22 H new ATOM 0 HB2 SER A 123 -12.632 -13.789 -25.373 1.00 74.20 H new ATOM 0 HB3 SER A 123 -12.096 -13.296 -23.779 1.00 74.20 H new ATOM 0 HG SER A 123 -14.448 -14.884 -24.163 1.00 62.33 H new ATOM 1907 N VAL A 124 -14.928 -11.662 -26.468 1.00 51.33 N ATOM 1908 CA VAL A 124 -15.804 -11.710 -27.633 1.00 63.01 C ATOM 1909 C VAL A 124 -15.308 -12.731 -28.651 1.00 35.42 C ATOM 1910 O VAL A 124 -14.300 -13.402 -28.431 1.00 52.43 O ATOM 1911 CB VAL A 124 -15.908 -10.332 -28.314 1.00 35.40 C ATOM 1912 CG1 VAL A 124 -17.333 -10.074 -28.780 1.00 71.02 C ATOM 1913 CG2 VAL A 124 -15.440 -9.235 -27.370 1.00 73.11 C ATOM 0 H VAL A 124 -14.311 -10.850 -26.438 1.00 51.33 H new ATOM 0 HA VAL A 124 -16.790 -12.006 -27.276 1.00 63.01 H new ATOM 0 HB VAL A 124 -15.258 -10.328 -29.189 1.00 35.40 H new ATOM 0 HG11 VAL A 124 -17.388 -9.096 -29.259 1.00 71.02 H new ATOM 0 HG12 VAL A 124 -17.628 -10.844 -29.493 1.00 71.02 H new ATOM 0 HG13 VAL A 124 -18.006 -10.097 -27.923 1.00 71.02 H new ATOM 0 HG21 VAL A 124 -15.520 -8.268 -27.867 1.00 73.11 H new ATOM 0 HG22 VAL A 124 -16.062 -9.235 -26.475 1.00 73.11 H new ATOM 0 HG23 VAL A 124 -14.402 -9.414 -27.090 1.00 73.11 H new ATOM 1923 N GLU A 125 -16.025 -12.844 -29.765 1.00 41.20 N ATOM 1924 CA GLU A 125 -15.658 -13.784 -30.817 1.00 24.41 C ATOM 1925 C GLU A 125 -15.855 -13.162 -32.196 1.00 62.33 C ATOM 1926 O GLU A 125 -16.873 -12.522 -32.461 1.00 22.34 O ATOM 1927 CB GLU A 125 -16.487 -15.065 -30.700 1.00 12.35 C ATOM 1928 CG GLU A 125 -17.762 -14.892 -29.892 1.00 14.34 C ATOM 1929 CD GLU A 125 -18.904 -15.742 -30.414 1.00 21.32 C ATOM 1930 OE1 GLU A 125 -18.955 -16.942 -30.073 1.00 24.44 O ATOM 1931 OE2 GLU A 125 -19.747 -15.207 -31.164 1.00 2.10 O ATOM 0 H GLU A 125 -16.863 -12.296 -29.962 1.00 41.20 H new ATOM 0 HA GLU A 125 -14.603 -14.030 -30.696 1.00 24.41 H new ATOM 0 HB2 GLU A 125 -16.745 -15.414 -31.700 1.00 12.35 H new ATOM 0 HB3 GLU A 125 -15.877 -15.842 -30.239 1.00 12.35 H new ATOM 0 HG2 GLU A 125 -17.566 -15.152 -28.852 1.00 14.34 H new ATOM 0 HG3 GLU A 125 -18.058 -13.843 -29.908 1.00 14.34 H new