USER MOD reduce.3.24.130724 H: found=0, std=0, add=1075, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1075 hydrogens (27 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 65 GLN : amide:sc= -0.17 K(o=-0.34,f=0.27) USER MOD Set 1.2: A 108 GLN : amide:sc= -0.175 K(o=-0.34,f=-0.96!) USER MOD Set 2.1: A 29 TYR OH : rot 30:sc= -0.499! USER MOD Set 2.2: A 97 THR OG1 : rot -105:sc= -0.496 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0.103 USER MOD Single : A 15 LYS NZ :NH3+ 168:sc= 0.273 (180deg=0.148) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 1.03 K(o=1,f=-0.53) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= 0.689 K(o=0.69,f=-5.8!) USER MOD Single : A 38 SER OG : rot 70:sc= -2.17 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.164 USER MOD Single : A 54 SER OG : rot 180:sc= -0.409 USER MOD Single : A 57 CYS SG : rot -123:sc= -0.484 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 67 SER OG : rot 93:sc= 0.00793 USER MOD Single : A 69 GLN : amide:sc= -0.0964 X(o=-0.096,f=-0.1) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.00664 USER MOD Single : A 72 SER OG : rot 180:sc= 0.125 USER MOD Single : A 77 SER OG : rot 73:sc= 0.00308 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.209 K(o=-0.21,f=-1.5) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HD1:sc= -3.65! C(o=-3.6!,f=-6.9!) USER MOD Single : A 90 GLN : amide:sc= -0.172 K(o=-0.17,f=-1.2) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 GLN : amide:sc= -0.303 X(o=-0.3,f=-0.34) USER MOD Single : A 117 GLN : amide:sc= -0.025 X(o=-0.025,f=0) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 125 ASN : amide:sc= 0.46 K(o=0.46,f=-4.6!) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 127 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 129 SER OG : rot 60:sc= 0.148 USER MOD Single : A 130 GLN : amide:sc= -0.118 K(o=-0.12,f=-2!) USER MOD Single : A 131 ASN : amide:sc= 0.0325 X(o=0.032,f=0) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 -1.822 14.150 7.124 1.00 54.04 N ATOM 2 CA GLY A 2 -1.252 14.255 8.454 1.00 51.41 C ATOM 3 C GLY A 2 -2.149 13.658 9.520 1.00 1.44 C ATOM 4 O GLY A 2 -1.810 12.646 10.131 1.00 24.22 O ATOM 0 HA2 GLY A 2 -0.286 13.750 8.472 1.00 51.41 H new ATOM 0 HA3 GLY A 2 -1.068 15.304 8.685 1.00 51.41 H new ATOM 8 N ALA A 3 -3.298 14.287 9.744 1.00 12.22 N ATOM 9 CA ALA A 3 -4.248 13.812 10.742 1.00 74.34 C ATOM 10 C ALA A 3 -5.189 12.768 10.151 1.00 70.42 C ATOM 11 O ALA A 3 -5.534 11.786 10.809 1.00 54.34 O ATOM 12 CB ALA A 3 -5.042 14.978 11.314 1.00 14.13 C ATOM 0 H ALA A 3 -3.593 15.127 9.247 1.00 12.22 H new ATOM 0 HA ALA A 3 -3.685 13.341 11.548 1.00 74.34 H new ATOM 0 HB1 ALA A 3 -5.747 14.608 12.058 1.00 14.13 H new ATOM 0 HB2 ALA A 3 -4.360 15.688 11.782 1.00 14.13 H new ATOM 0 HB3 ALA A 3 -5.588 15.475 10.512 1.00 14.13 H new ATOM 18 N ARG A 4 -5.602 12.987 8.907 1.00 61.41 N ATOM 19 CA ARG A 4 -6.506 12.066 8.229 1.00 13.11 C ATOM 20 C ARG A 4 -5.863 10.690 8.073 1.00 71.01 C ATOM 21 O ARG A 4 -4.639 10.559 8.097 1.00 0.40 O ATOM 22 CB ARG A 4 -6.894 12.617 6.855 1.00 51.11 C ATOM 23 CG ARG A 4 -8.372 12.947 6.728 1.00 52.33 C ATOM 24 CD ARG A 4 -8.620 13.984 5.643 1.00 53.34 C ATOM 25 NE ARG A 4 -9.798 14.801 5.925 1.00 74.41 N ATOM 26 CZ ARG A 4 -10.070 15.939 5.296 1.00 22.21 C ATOM 27 NH1 ARG A 4 -9.253 16.392 4.355 1.00 44.31 N ATOM 28 NH2 ARG A 4 -11.162 16.624 5.609 1.00 0.55 N ATOM 0 H ARG A 4 -5.325 13.794 8.348 1.00 61.41 H new ATOM 0 HA ARG A 4 -7.404 11.963 8.839 1.00 13.11 H new ATOM 0 HB2 ARG A 4 -6.311 13.516 6.655 1.00 51.11 H new ATOM 0 HB3 ARG A 4 -6.626 11.887 6.091 1.00 51.11 H new ATOM 0 HG2 ARG A 4 -8.930 12.039 6.500 1.00 52.33 H new ATOM 0 HG3 ARG A 4 -8.746 13.320 7.682 1.00 52.33 H new ATOM 0 HD2 ARG A 4 -7.746 14.628 5.551 1.00 53.34 H new ATOM 0 HD3 ARG A 4 -8.748 13.482 4.684 1.00 53.34 H new ATOM 0 HE ARG A 4 -10.447 14.480 6.644 1.00 74.41 H new ATOM 0 HH11 ARG A 4 -8.413 15.866 4.112 1.00 44.31 H new ATOM 0 HH12 ARG A 4 -9.464 17.266 3.874 1.00 44.31 H new ATOM 0 HH21 ARG A 4 -11.792 16.277 6.332 1.00 0.55 H new ATOM 0 HH22 ARG A 4 -11.372 17.498 5.127 1.00 0.55 H new ATOM 42 N ALA A 5 -6.697 9.668 7.913 1.00 72.34 N ATOM 43 CA ALA A 5 -6.210 8.304 7.752 1.00 23.42 C ATOM 44 C ALA A 5 -7.238 7.436 7.032 1.00 61.40 C ATOM 45 O ALA A 5 -8.205 7.944 6.464 1.00 54.14 O ATOM 46 CB ALA A 5 -5.867 7.702 9.107 1.00 15.21 C ATOM 0 H ALA A 5 -7.713 9.759 7.891 1.00 72.34 H new ATOM 0 HA ALA A 5 -5.307 8.337 7.142 1.00 23.42 H new ATOM 0 HB1 ALA A 5 -5.505 6.683 8.971 1.00 15.21 H new ATOM 0 HB2 ALA A 5 -5.093 8.302 9.586 1.00 15.21 H new ATOM 0 HB3 ALA A 5 -6.757 7.690 9.736 1.00 15.21 H new ATOM 52 N SER A 6 -7.021 6.125 7.060 1.00 21.14 N ATOM 53 CA SER A 6 -7.926 5.187 6.405 1.00 24.14 C ATOM 54 C SER A 6 -7.894 5.368 4.891 1.00 32.44 C ATOM 55 O SER A 6 -8.902 5.709 4.273 1.00 2.15 O ATOM 56 CB SER A 6 -9.353 5.378 6.922 1.00 62.54 C ATOM 57 OG SER A 6 -9.364 5.593 8.323 1.00 52.32 O ATOM 0 H SER A 6 -6.227 5.688 7.529 1.00 21.14 H new ATOM 0 HA SER A 6 -7.594 4.176 6.640 1.00 24.14 H new ATOM 0 HB2 SER A 6 -9.815 6.226 6.417 1.00 62.54 H new ATOM 0 HB3 SER A 6 -9.951 4.499 6.681 1.00 62.54 H new ATOM 0 HG SER A 6 -10.287 5.714 8.628 1.00 52.32 H new ATOM 63 N VAL A 7 -6.727 5.137 4.298 1.00 75.13 N ATOM 64 CA VAL A 7 -6.561 5.273 2.856 1.00 70.52 C ATOM 65 C VAL A 7 -6.898 3.970 2.139 1.00 65.53 C ATOM 66 O VAL A 7 -7.714 3.949 1.217 1.00 11.35 O ATOM 67 CB VAL A 7 -5.124 5.687 2.492 1.00 55.32 C ATOM 68 CG1 VAL A 7 -5.006 5.957 1.000 1.00 2.10 C ATOM 69 CG2 VAL A 7 -4.702 6.907 3.298 1.00 35.02 C ATOM 0 H VAL A 7 -5.882 4.855 4.795 1.00 75.13 H new ATOM 0 HA VAL A 7 -7.249 6.053 2.531 1.00 70.52 H new ATOM 0 HB VAL A 7 -4.454 4.864 2.741 1.00 55.32 H new ATOM 0 HG11 VAL A 7 -3.983 6.248 0.763 1.00 2.10 H new ATOM 0 HG12 VAL A 7 -5.264 5.055 0.445 1.00 2.10 H new ATOM 0 HG13 VAL A 7 -5.686 6.762 0.721 1.00 2.10 H new ATOM 0 HG21 VAL A 7 -3.684 7.187 3.029 1.00 35.02 H new ATOM 0 HG22 VAL A 7 -5.375 7.737 3.082 1.00 35.02 H new ATOM 0 HG23 VAL A 7 -4.745 6.673 4.362 1.00 35.02 H new ATOM 79 N LEU A 8 -6.267 2.884 2.569 1.00 71.34 N ATOM 80 CA LEU A 8 -6.500 1.574 1.969 1.00 11.31 C ATOM 81 C LEU A 8 -7.858 1.019 2.386 1.00 30.22 C ATOM 82 O LEU A 8 -8.340 1.292 3.484 1.00 64.42 O ATOM 83 CB LEU A 8 -5.391 0.601 2.373 1.00 45.02 C ATOM 84 CG LEU A 8 -5.056 0.548 3.863 1.00 50.14 C ATOM 85 CD1 LEU A 8 -6.082 -0.287 4.613 1.00 24.11 C ATOM 86 CD2 LEU A 8 -3.655 -0.008 4.076 1.00 23.12 C ATOM 0 H LEU A 8 -5.589 2.884 3.331 1.00 71.34 H new ATOM 0 HA LEU A 8 -6.493 1.691 0.885 1.00 11.31 H new ATOM 0 HB2 LEU A 8 -5.677 -0.400 2.049 1.00 45.02 H new ATOM 0 HB3 LEU A 8 -4.486 0.866 1.827 1.00 45.02 H new ATOM 0 HG LEU A 8 -5.086 1.564 4.258 1.00 50.14 H new ATOM 0 HD11 LEU A 8 -5.826 -0.313 5.672 1.00 24.11 H new ATOM 0 HD12 LEU A 8 -7.071 0.154 4.489 1.00 24.11 H new ATOM 0 HD13 LEU A 8 -6.085 -1.302 4.216 1.00 24.11 H new ATOM 0 HD21 LEU A 8 -3.434 -0.038 5.143 1.00 23.12 H new ATOM 0 HD22 LEU A 8 -3.597 -1.016 3.665 1.00 23.12 H new ATOM 0 HD23 LEU A 8 -2.929 0.631 3.573 1.00 23.12 H new ATOM 98 N SER A 9 -8.468 0.234 1.503 1.00 12.35 N ATOM 99 CA SER A 9 -9.770 -0.359 1.778 1.00 22.43 C ATOM 100 C SER A 9 -9.616 -1.703 2.482 1.00 23.44 C ATOM 101 O SER A 9 -8.559 -2.014 3.027 1.00 73.15 O ATOM 102 CB SER A 9 -10.558 -0.538 0.478 1.00 1.41 C ATOM 103 OG SER A 9 -11.954 -0.501 0.719 1.00 22.53 O ATOM 0 H SER A 9 -8.080 -0.006 0.591 1.00 12.35 H new ATOM 0 HA SER A 9 -10.318 0.316 2.436 1.00 22.43 H new ATOM 0 HB2 SER A 9 -10.286 0.248 -0.227 1.00 1.41 H new ATOM 0 HB3 SER A 9 -10.291 -1.488 0.015 1.00 1.41 H new ATOM 0 HG SER A 9 -12.435 -0.616 -0.127 1.00 22.53 H new ATOM 109 N GLY A 10 -10.682 -2.498 2.466 1.00 22.44 N ATOM 110 CA GLY A 10 -10.646 -3.801 3.106 1.00 22.03 C ATOM 111 C GLY A 10 -9.990 -4.856 2.237 1.00 1.21 C ATOM 112 O GLY A 10 -9.094 -5.570 2.686 1.00 43.53 O ATOM 0 H GLY A 10 -11.570 -2.263 2.022 1.00 22.44 H new ATOM 0 HA2 GLY A 10 -10.105 -3.724 4.049 1.00 22.03 H new ATOM 0 HA3 GLY A 10 -11.663 -4.113 3.346 1.00 22.03 H new ATOM 116 N GLY A 11 -10.437 -4.955 0.989 1.00 11.55 N ATOM 117 CA GLY A 11 -9.876 -5.934 0.075 1.00 43.25 C ATOM 118 C GLY A 11 -8.398 -5.713 -0.175 1.00 35.11 C ATOM 119 O GLY A 11 -7.655 -6.663 -0.418 1.00 71.31 O ATOM 0 H GLY A 11 -11.177 -4.375 0.594 1.00 11.55 H new ATOM 0 HA2 GLY A 11 -10.027 -6.934 0.481 1.00 43.25 H new ATOM 0 HA3 GLY A 11 -10.412 -5.891 -0.873 1.00 43.25 H new ATOM 123 N GLU A 12 -7.970 -4.456 -0.117 1.00 2.25 N ATOM 124 CA GLU A 12 -6.571 -4.114 -0.343 1.00 23.44 C ATOM 125 C GLU A 12 -5.729 -4.427 0.890 1.00 41.34 C ATOM 126 O GLU A 12 -4.612 -4.934 0.781 1.00 20.44 O ATOM 127 CB GLU A 12 -6.437 -2.633 -0.705 1.00 54.21 C ATOM 128 CG GLU A 12 -5.038 -2.240 -1.150 1.00 72.03 C ATOM 129 CD GLU A 12 -4.557 -0.958 -0.498 1.00 11.55 C ATOM 130 OE1 GLU A 12 -4.873 0.129 -1.026 1.00 2.25 O ATOM 131 OE2 GLU A 12 -3.866 -1.040 0.538 1.00 74.43 O ATOM 0 H GLU A 12 -8.572 -3.658 0.085 1.00 2.25 H new ATOM 0 HA GLU A 12 -6.205 -4.717 -1.174 1.00 23.44 H new ATOM 0 HB2 GLU A 12 -7.142 -2.397 -1.502 1.00 54.21 H new ATOM 0 HB3 GLU A 12 -6.718 -2.030 0.158 1.00 54.21 H new ATOM 0 HG2 GLU A 12 -4.345 -3.047 -0.912 1.00 72.03 H new ATOM 0 HG3 GLU A 12 -5.026 -2.119 -2.233 1.00 72.03 H new ATOM 138 N LEU A 13 -6.272 -4.120 2.063 1.00 4.34 N ATOM 139 CA LEU A 13 -5.572 -4.367 3.318 1.00 75.44 C ATOM 140 C LEU A 13 -5.200 -5.840 3.453 1.00 72.55 C ATOM 141 O LEU A 13 -4.030 -6.183 3.623 1.00 73.11 O ATOM 142 CB LEU A 13 -6.439 -3.938 4.502 1.00 50.41 C ATOM 143 CG LEU A 13 -5.721 -3.799 5.846 1.00 31.23 C ATOM 144 CD1 LEU A 13 -4.436 -3.002 5.684 1.00 22.03 C ATOM 145 CD2 LEU A 13 -6.633 -3.143 6.872 1.00 60.21 C ATOM 0 H LEU A 13 -7.195 -3.700 2.171 1.00 4.34 H new ATOM 0 HA LEU A 13 -4.655 -3.778 3.315 1.00 75.44 H new ATOM 0 HB2 LEU A 13 -6.902 -2.981 4.260 1.00 50.41 H new ATOM 0 HB3 LEU A 13 -7.245 -4.662 4.617 1.00 50.41 H new ATOM 0 HG LEU A 13 -5.463 -4.796 6.204 1.00 31.23 H new ATOM 0 HD11 LEU A 13 -3.939 -2.913 6.650 1.00 22.03 H new ATOM 0 HD12 LEU A 13 -3.777 -3.513 4.982 1.00 22.03 H new ATOM 0 HD13 LEU A 13 -4.670 -2.008 5.304 1.00 22.03 H new ATOM 0 HD21 LEU A 13 -6.106 -3.052 7.822 1.00 60.21 H new ATOM 0 HD22 LEU A 13 -6.922 -2.152 6.521 1.00 60.21 H new ATOM 0 HD23 LEU A 13 -7.525 -3.754 7.009 1.00 60.21 H new ATOM 157 N ASP A 14 -6.203 -6.707 3.376 1.00 64.20 N ATOM 158 CA ASP A 14 -5.982 -8.144 3.486 1.00 24.42 C ATOM 159 C ASP A 14 -4.972 -8.620 2.447 1.00 71.02 C ATOM 160 O ASP A 14 -3.940 -9.199 2.788 1.00 60.40 O ATOM 161 CB ASP A 14 -7.302 -8.900 3.315 1.00 51.31 C ATOM 162 CG ASP A 14 -8.114 -8.942 4.595 1.00 1.22 C ATOM 163 OD1 ASP A 14 -7.648 -9.563 5.574 1.00 4.23 O ATOM 164 OD2 ASP A 14 -9.215 -8.353 4.618 1.00 62.40 O ATOM 0 H ASP A 14 -7.178 -6.440 3.238 1.00 64.20 H new ATOM 0 HA ASP A 14 -5.580 -8.349 4.478 1.00 24.42 H new ATOM 0 HB2 ASP A 14 -7.891 -8.425 2.530 1.00 51.31 H new ATOM 0 HB3 ASP A 14 -7.094 -9.918 2.986 1.00 51.31 H new ATOM 169 N LYS A 15 -5.275 -8.373 1.177 1.00 22.32 N ATOM 170 CA LYS A 15 -4.395 -8.776 0.087 1.00 14.33 C ATOM 171 C LYS A 15 -2.991 -8.213 0.286 1.00 11.33 C ATOM 172 O LYS A 15 -1.998 -8.876 -0.012 1.00 32.44 O ATOM 173 CB LYS A 15 -4.960 -8.302 -1.254 1.00 41.50 C ATOM 174 CG LYS A 15 -5.596 -9.412 -2.072 1.00 63.25 C ATOM 175 CD LYS A 15 -7.061 -9.127 -2.357 1.00 51.34 C ATOM 176 CE LYS A 15 -7.224 -8.165 -3.525 1.00 61.32 C ATOM 177 NZ LYS A 15 -8.070 -6.993 -3.164 1.00 34.31 N ATOM 0 H LYS A 15 -6.125 -7.895 0.877 1.00 22.32 H new ATOM 0 HA LYS A 15 -4.335 -9.864 0.085 1.00 14.33 H new ATOM 0 HB2 LYS A 15 -5.703 -7.525 -1.072 1.00 41.50 H new ATOM 0 HB3 LYS A 15 -4.159 -7.847 -1.836 1.00 41.50 H new ATOM 0 HG2 LYS A 15 -5.057 -9.526 -3.013 1.00 63.25 H new ATOM 0 HG3 LYS A 15 -5.506 -10.357 -1.536 1.00 63.25 H new ATOM 0 HD2 LYS A 15 -7.578 -10.061 -2.578 1.00 51.34 H new ATOM 0 HD3 LYS A 15 -7.530 -8.705 -1.468 1.00 51.34 H new ATOM 0 HE2 LYS A 15 -6.243 -7.819 -3.850 1.00 61.32 H new ATOM 0 HE3 LYS A 15 -7.672 -8.690 -4.369 1.00 61.32 H new ATOM 0 HZ1 LYS A 15 -7.993 -6.268 -3.906 1.00 34.31 H new ATOM 0 HZ2 LYS A 15 -9.061 -7.295 -3.076 1.00 34.31 H new ATOM 0 HZ3 LYS A 15 -7.747 -6.597 -2.258 1.00 34.31 H new ATOM 191 N TRP A 16 -2.916 -6.988 0.793 1.00 4.13 N ATOM 192 CA TRP A 16 -1.633 -6.336 1.033 1.00 23.44 C ATOM 193 C TRP A 16 -0.760 -7.180 1.955 1.00 53.42 C ATOM 194 O TRP A 16 0.324 -7.618 1.567 1.00 44.45 O ATOM 195 CB TRP A 16 -1.847 -4.949 1.640 1.00 64.33 C ATOM 196 CG TRP A 16 -0.568 -4.238 1.961 1.00 53.22 C ATOM 197 CD1 TRP A 16 -0.050 -4.001 3.202 1.00 65.34 C ATOM 198 CD2 TRP A 16 0.354 -3.668 1.025 1.00 73.14 C ATOM 199 NE1 TRP A 16 1.138 -3.320 3.094 1.00 40.42 N ATOM 200 CE2 TRP A 16 1.408 -3.103 1.770 1.00 31.34 C ATOM 201 CE3 TRP A 16 0.393 -3.582 -0.370 1.00 64.02 C ATOM 202 CZ2 TRP A 16 2.486 -2.462 1.164 1.00 65.12 C ATOM 203 CZ3 TRP A 16 1.463 -2.945 -0.968 1.00 43.42 C ATOM 204 CH2 TRP A 16 2.498 -2.392 -0.202 1.00 62.14 C ATOM 0 H TRP A 16 -3.728 -6.426 1.046 1.00 4.13 H new ATOM 0 HA TRP A 16 -1.122 -6.229 0.076 1.00 23.44 H new ATOM 0 HB2 TRP A 16 -2.427 -4.342 0.945 1.00 64.33 H new ATOM 0 HB3 TRP A 16 -2.439 -5.046 2.550 1.00 64.33 H new ATOM 0 HD1 TRP A 16 -0.507 -4.305 4.132 1.00 65.34 H new ATOM 0 HE1 TRP A 16 1.724 -3.024 3.874 1.00 40.42 H new ATOM 0 HE3 TRP A 16 -0.399 -4.006 -0.969 1.00 64.02 H new ATOM 0 HZ2 TRP A 16 3.285 -2.035 1.752 1.00 65.12 H new ATOM 0 HZ3 TRP A 16 1.503 -2.872 -2.045 1.00 43.42 H new ATOM 0 HH2 TRP A 16 3.321 -1.901 -0.700 1.00 62.14 H new ATOM 215 N GLU A 17 -1.237 -7.404 3.174 1.00 44.14 N ATOM 216 CA GLU A 17 -0.498 -8.194 4.151 1.00 34.41 C ATOM 217 C GLU A 17 -0.391 -9.650 3.705 1.00 34.04 C ATOM 218 O GLU A 17 0.457 -10.399 4.188 1.00 34.21 O ATOM 219 CB GLU A 17 -1.175 -8.118 5.521 1.00 30.42 C ATOM 220 CG GLU A 17 -0.973 -6.787 6.226 1.00 23.33 C ATOM 221 CD GLU A 17 -1.299 -6.857 7.706 1.00 5.54 C ATOM 222 OE1 GLU A 17 -2.497 -6.797 8.054 1.00 22.45 O ATOM 223 OE2 GLU A 17 -0.355 -6.969 8.516 1.00 21.23 O ATOM 0 H GLU A 17 -2.133 -7.049 3.509 1.00 44.14 H new ATOM 0 HA GLU A 17 0.507 -7.780 4.228 1.00 34.41 H new ATOM 0 HB2 GLU A 17 -2.243 -8.297 5.400 1.00 30.42 H new ATOM 0 HB3 GLU A 17 -0.788 -8.917 6.153 1.00 30.42 H new ATOM 0 HG2 GLU A 17 0.061 -6.466 6.100 1.00 23.33 H new ATOM 0 HG3 GLU A 17 -1.601 -6.031 5.754 1.00 23.33 H new ATOM 230 N LYS A 18 -1.259 -10.043 2.779 1.00 33.24 N ATOM 231 CA LYS A 18 -1.264 -11.408 2.265 1.00 4.33 C ATOM 232 C LYS A 18 0.037 -11.719 1.533 1.00 1.34 C ATOM 233 O LYS A 18 0.860 -12.498 2.015 1.00 52.41 O ATOM 234 CB LYS A 18 -2.453 -11.615 1.323 1.00 62.24 C ATOM 235 CG LYS A 18 -3.342 -12.783 1.714 1.00 34.45 C ATOM 236 CD LYS A 18 -4.281 -12.414 2.849 1.00 61.33 C ATOM 237 CE LYS A 18 -5.368 -13.462 3.036 1.00 40.40 C ATOM 238 NZ LYS A 18 -6.470 -12.967 3.906 1.00 64.23 N ATOM 0 H LYS A 18 -1.968 -9.436 2.369 1.00 33.24 H new ATOM 0 HA LYS A 18 -1.355 -12.088 3.112 1.00 4.33 H new ATOM 0 HB2 LYS A 18 -3.052 -10.705 1.302 1.00 62.24 H new ATOM 0 HB3 LYS A 18 -2.081 -11.775 0.311 1.00 62.24 H new ATOM 0 HG2 LYS A 18 -3.923 -13.104 0.850 1.00 34.45 H new ATOM 0 HG3 LYS A 18 -2.723 -13.628 2.013 1.00 34.45 H new ATOM 0 HD2 LYS A 18 -3.713 -12.309 3.773 1.00 61.33 H new ATOM 0 HD3 LYS A 18 -4.739 -11.446 2.644 1.00 61.33 H new ATOM 0 HE2 LYS A 18 -5.772 -13.744 2.064 1.00 40.40 H new ATOM 0 HE3 LYS A 18 -4.935 -14.361 3.475 1.00 40.40 H new ATOM 0 HZ1 LYS A 18 -7.191 -13.709 4.009 1.00 64.23 H new ATOM 0 HZ2 LYS A 18 -6.089 -12.721 4.842 1.00 64.23 H new ATOM 0 HZ3 LYS A 18 -6.901 -12.124 3.475 1.00 64.23 H new ATOM 252 N ILE A 19 0.217 -11.105 0.368 1.00 74.15 N ATOM 253 CA ILE A 19 1.421 -11.315 -0.427 1.00 3.33 C ATOM 254 C ILE A 19 2.665 -11.342 0.454 1.00 43.31 C ATOM 255 O ILE A 19 2.744 -10.630 1.456 1.00 0.44 O ATOM 256 CB ILE A 19 1.586 -10.219 -1.497 1.00 74.42 C ATOM 257 CG1 ILE A 19 0.397 -10.232 -2.459 1.00 11.24 C ATOM 258 CG2 ILE A 19 2.891 -10.412 -2.255 1.00 71.41 C ATOM 259 CD1 ILE A 19 0.149 -8.899 -3.130 1.00 52.55 C ATOM 0 H ILE A 19 -0.455 -10.459 -0.046 1.00 74.15 H new ATOM 0 HA ILE A 19 1.309 -12.280 -0.921 1.00 3.33 H new ATOM 0 HB ILE A 19 1.617 -9.249 -1.001 1.00 74.42 H new ATOM 0 HG12 ILE A 19 0.567 -10.989 -3.225 1.00 11.24 H new ATOM 0 HG13 ILE A 19 -0.499 -10.527 -1.913 1.00 11.24 H new ATOM 0 HG21 ILE A 19 2.994 -9.630 -3.008 1.00 71.41 H new ATOM 0 HG22 ILE A 19 3.728 -10.357 -1.559 1.00 71.41 H new ATOM 0 HG23 ILE A 19 2.888 -11.387 -2.743 1.00 71.41 H new ATOM 0 HD11 ILE A 19 -0.708 -8.982 -3.798 1.00 52.55 H new ATOM 0 HD12 ILE A 19 -0.053 -8.142 -2.372 1.00 52.55 H new ATOM 0 HD13 ILE A 19 1.030 -8.611 -3.704 1.00 52.55 H new ATOM 271 N ARG A 20 3.635 -12.167 0.074 1.00 51.30 N ATOM 272 CA ARG A 20 4.876 -12.286 0.829 1.00 31.10 C ATOM 273 C ARG A 20 5.879 -11.220 0.397 1.00 73.33 C ATOM 274 O ARG A 20 5.541 -10.298 -0.346 1.00 72.53 O ATOM 275 CB ARG A 20 5.481 -13.678 0.640 1.00 73.42 C ATOM 276 CG ARG A 20 4.606 -14.800 1.176 1.00 51.44 C ATOM 277 CD ARG A 20 4.562 -15.978 0.216 1.00 32.30 C ATOM 278 NE ARG A 20 3.458 -16.887 0.515 1.00 13.32 N ATOM 279 CZ ARG A 20 3.075 -17.869 -0.293 1.00 60.12 C ATOM 280 NH1 ARG A 20 3.705 -18.070 -1.442 1.00 4.55 N ATOM 281 NH2 ARG A 20 2.061 -18.654 0.049 1.00 51.34 N ATOM 0 H ARG A 20 3.585 -12.763 -0.752 1.00 51.30 H new ATOM 0 HA ARG A 20 4.646 -12.138 1.884 1.00 31.10 H new ATOM 0 HB2 ARG A 20 5.662 -13.845 -0.422 1.00 73.42 H new ATOM 0 HB3 ARG A 20 6.450 -13.715 1.138 1.00 73.42 H new ATOM 0 HG2 ARG A 20 4.987 -15.130 2.142 1.00 51.44 H new ATOM 0 HG3 ARG A 20 3.595 -14.427 1.343 1.00 51.44 H new ATOM 0 HD2 ARG A 20 4.462 -15.610 -0.805 1.00 32.30 H new ATOM 0 HD3 ARG A 20 5.505 -16.523 0.268 1.00 32.30 H new ATOM 0 HE ARG A 20 2.954 -16.760 1.393 1.00 13.32 H new ATOM 0 HH11 ARG A 20 4.486 -17.470 -1.707 1.00 4.55 H new ATOM 0 HH12 ARG A 20 3.409 -18.825 -2.061 1.00 4.55 H new ATOM 0 HH21 ARG A 20 1.575 -18.503 0.933 1.00 51.34 H new ATOM 0 HH22 ARG A 20 1.768 -19.408 -0.572 1.00 51.34 H new ATOM 295 N LEU A 21 7.115 -11.353 0.868 1.00 22.45 N ATOM 296 CA LEU A 21 8.169 -10.403 0.531 1.00 42.32 C ATOM 297 C LEU A 21 9.207 -11.042 -0.386 1.00 42.22 C ATOM 298 O LEU A 21 9.571 -10.477 -1.416 1.00 3.43 O ATOM 299 CB LEU A 21 8.843 -9.887 1.803 1.00 73.45 C ATOM 300 CG LEU A 21 7.916 -9.274 2.854 1.00 14.01 C ATOM 301 CD1 LEU A 21 8.709 -8.836 4.074 1.00 54.33 C ATOM 302 CD2 LEU A 21 7.147 -8.100 2.265 1.00 55.13 C ATOM 0 H LEU A 21 7.411 -12.110 1.484 1.00 22.45 H new ATOM 0 HA LEU A 21 7.713 -9.565 0.003 1.00 42.32 H new ATOM 0 HB2 LEU A 21 9.385 -10.713 2.263 1.00 73.45 H new ATOM 0 HB3 LEU A 21 9.583 -9.139 1.520 1.00 73.45 H new ATOM 0 HG LEU A 21 7.199 -10.033 3.166 1.00 14.01 H new ATOM 0 HD11 LEU A 21 8.033 -8.402 4.811 1.00 54.33 H new ATOM 0 HD12 LEU A 21 9.214 -9.699 4.508 1.00 54.33 H new ATOM 0 HD13 LEU A 21 9.449 -8.092 3.779 1.00 54.33 H new ATOM 0 HD21 LEU A 21 6.492 -7.675 3.026 1.00 55.13 H new ATOM 0 HD22 LEU A 21 7.849 -7.339 1.925 1.00 55.13 H new ATOM 0 HD23 LEU A 21 6.548 -8.444 1.422 1.00 55.13 H new ATOM 314 N ARG A 22 9.678 -12.225 -0.003 1.00 21.23 N ATOM 315 CA ARG A 22 10.673 -12.942 -0.790 1.00 11.15 C ATOM 316 C ARG A 22 10.047 -14.141 -1.497 1.00 52.52 C ATOM 317 O ARG A 22 8.922 -14.547 -1.204 1.00 52.21 O ATOM 318 CB ARG A 22 11.824 -13.407 0.103 1.00 50.42 C ATOM 319 CG ARG A 22 13.073 -12.549 -0.016 1.00 40.13 C ATOM 320 CD ARG A 22 14.240 -13.156 0.748 1.00 4.31 C ATOM 321 NE ARG A 22 14.782 -12.233 1.742 1.00 13.13 N ATOM 322 CZ ARG A 22 15.606 -11.234 1.443 1.00 40.55 C ATOM 323 NH1 ARG A 22 15.980 -11.029 0.188 1.00 72.12 N ATOM 324 NH2 ARG A 22 16.057 -10.436 2.404 1.00 55.30 N ATOM 0 H ARG A 22 9.386 -12.706 0.848 1.00 21.23 H new ATOM 0 HA ARG A 22 11.062 -12.259 -1.545 1.00 11.15 H new ATOM 0 HB2 ARG A 22 11.491 -13.406 1.141 1.00 50.42 H new ATOM 0 HB3 ARG A 22 12.076 -14.437 -0.150 1.00 50.42 H new ATOM 0 HG2 ARG A 22 13.342 -12.439 -1.067 1.00 40.13 H new ATOM 0 HG3 ARG A 22 12.867 -11.549 0.366 1.00 40.13 H new ATOM 0 HD2 ARG A 22 13.913 -14.071 1.243 1.00 4.31 H new ATOM 0 HD3 ARG A 22 15.026 -13.436 0.047 1.00 4.31 H new ATOM 0 HE ARG A 22 14.514 -12.362 2.718 1.00 13.13 H new ATOM 0 HH11 ARG A 22 15.635 -11.639 -0.553 1.00 72.12 H new ATOM 0 HH12 ARG A 22 16.613 -10.261 -0.037 1.00 72.12 H new ATOM 0 HH21 ARG A 22 15.771 -10.590 3.371 1.00 55.30 H new ATOM 0 HH22 ARG A 22 16.689 -9.669 2.175 1.00 55.30 H new ATOM 338 N PRO A 23 10.790 -14.721 -2.451 1.00 72.02 N ATOM 339 CA PRO A 23 10.329 -15.881 -3.218 1.00 33.41 C ATOM 340 C PRO A 23 10.254 -17.146 -2.369 1.00 52.42 C ATOM 341 O PRO A 23 9.221 -17.813 -2.321 1.00 50.14 O ATOM 342 CB PRO A 23 11.393 -16.031 -4.309 1.00 60.32 C ATOM 343 CG PRO A 23 12.618 -15.413 -3.730 1.00 13.10 C ATOM 344 CD PRO A 23 12.141 -14.290 -2.852 1.00 4.22 C ATOM 0 HA PRO A 23 9.320 -15.739 -3.604 1.00 33.41 H new ATOM 0 HB2 PRO A 23 11.559 -17.079 -4.559 1.00 60.32 H new ATOM 0 HB3 PRO A 23 11.092 -15.528 -5.228 1.00 60.32 H new ATOM 0 HG2 PRO A 23 13.188 -16.142 -3.155 1.00 13.10 H new ATOM 0 HG3 PRO A 23 13.276 -15.041 -4.516 1.00 13.10 H new ATOM 0 HD2 PRO A 23 12.791 -14.151 -1.988 1.00 4.22 H new ATOM 0 HD3 PRO A 23 12.118 -13.342 -3.389 1.00 4.22 H new ATOM 352 N GLY A 24 11.357 -17.470 -1.700 1.00 20.33 N ATOM 353 CA GLY A 24 11.395 -18.654 -0.862 1.00 63.42 C ATOM 354 C GLY A 24 11.479 -18.317 0.614 1.00 30.21 C ATOM 355 O GLY A 24 12.379 -18.781 1.312 1.00 40.54 O ATOM 0 H GLY A 24 12.224 -16.934 -1.724 1.00 20.33 H new ATOM 0 HA2 GLY A 24 10.503 -19.253 -1.045 1.00 63.42 H new ATOM 0 HA3 GLY A 24 12.253 -19.266 -1.141 1.00 63.42 H new ATOM 359 N GLY A 25 10.540 -17.505 1.089 1.00 65.12 N ATOM 360 CA GLY A 25 10.531 -17.119 2.487 1.00 51.33 C ATOM 361 C GLY A 25 9.158 -17.246 3.116 1.00 31.33 C ATOM 362 O GLY A 25 8.279 -17.917 2.576 1.00 24.43 O ATOM 0 H GLY A 25 9.785 -17.108 0.530 1.00 65.12 H new ATOM 0 HA2 GLY A 25 11.238 -17.741 3.037 1.00 51.33 H new ATOM 0 HA3 GLY A 25 10.875 -16.089 2.578 1.00 51.33 H new ATOM 366 N LYS A 26 8.972 -16.601 4.263 1.00 65.34 N ATOM 367 CA LYS A 26 7.695 -16.645 4.968 1.00 35.25 C ATOM 368 C LYS A 26 7.296 -15.257 5.457 1.00 15.34 C ATOM 369 O LYS A 26 6.368 -15.111 6.251 1.00 5.14 O ATOM 370 CB LYS A 26 7.777 -17.612 6.152 1.00 1.22 C ATOM 371 CG LYS A 26 6.637 -18.614 6.197 1.00 64.54 C ATOM 372 CD LYS A 26 5.334 -17.959 6.623 1.00 31.44 C ATOM 373 CE LYS A 26 4.240 -18.991 6.852 1.00 62.22 C ATOM 374 NZ LYS A 26 3.776 -19.601 5.575 1.00 51.33 N ATOM 0 H LYS A 26 9.689 -16.041 4.725 1.00 65.34 H new ATOM 0 HA LYS A 26 6.934 -16.997 4.271 1.00 35.25 H new ATOM 0 HB2 LYS A 26 8.723 -18.152 6.105 1.00 1.22 H new ATOM 0 HB3 LYS A 26 7.783 -17.039 7.079 1.00 1.22 H new ATOM 0 HG2 LYS A 26 6.512 -19.069 5.214 1.00 64.54 H new ATOM 0 HG3 LYS A 26 6.885 -19.417 6.891 1.00 64.54 H new ATOM 0 HD2 LYS A 26 5.494 -17.388 7.538 1.00 31.44 H new ATOM 0 HD3 LYS A 26 5.014 -17.252 5.858 1.00 31.44 H new ATOM 0 HE2 LYS A 26 4.612 -19.773 7.514 1.00 62.22 H new ATOM 0 HE3 LYS A 26 3.397 -18.520 7.357 1.00 62.22 H new ATOM 0 HZ1 LYS A 26 3.031 -20.299 5.774 1.00 51.33 H new ATOM 0 HZ2 LYS A 26 3.398 -18.858 4.953 1.00 51.33 H new ATOM 0 HZ3 LYS A 26 4.575 -20.073 5.105 1.00 51.33 H new ATOM 388 N LYS A 27 8.003 -14.240 4.976 1.00 1.42 N ATOM 389 CA LYS A 27 7.721 -12.862 5.362 1.00 63.11 C ATOM 390 C LYS A 27 6.625 -12.265 4.484 1.00 51.24 C ATOM 391 O LYS A 27 6.584 -12.506 3.279 1.00 10.23 O ATOM 392 CB LYS A 27 8.990 -12.012 5.261 1.00 21.32 C ATOM 393 CG LYS A 27 10.107 -12.476 6.178 1.00 50.52 C ATOM 394 CD LYS A 27 11.441 -11.861 5.789 1.00 45.43 C ATOM 395 CE LYS A 27 12.240 -12.787 4.885 1.00 44.02 C ATOM 396 NZ LYS A 27 13.705 -12.653 5.111 1.00 11.23 N ATOM 0 H LYS A 27 8.776 -14.344 4.318 1.00 1.42 H new ATOM 0 HA LYS A 27 7.374 -12.864 6.395 1.00 63.11 H new ATOM 0 HB2 LYS A 27 9.347 -12.028 4.231 1.00 21.32 H new ATOM 0 HB3 LYS A 27 8.744 -10.977 5.497 1.00 21.32 H new ATOM 0 HG2 LYS A 27 9.869 -12.208 7.207 1.00 50.52 H new ATOM 0 HG3 LYS A 27 10.182 -13.563 6.140 1.00 50.52 H new ATOM 0 HD2 LYS A 27 11.271 -10.912 5.280 1.00 45.43 H new ATOM 0 HD3 LYS A 27 12.018 -11.642 6.688 1.00 45.43 H new ATOM 0 HE2 LYS A 27 11.938 -13.819 5.064 1.00 44.02 H new ATOM 0 HE3 LYS A 27 12.011 -12.564 3.843 1.00 44.02 H new ATOM 0 HZ1 LYS A 27 14.215 -13.300 4.476 1.00 11.23 H new ATOM 0 HZ2 LYS A 27 13.998 -11.674 4.916 1.00 11.23 H new ATOM 0 HZ3 LYS A 27 13.927 -12.891 6.099 1.00 11.23 H new ATOM 410 N GLN A 28 5.741 -11.484 5.099 1.00 74.20 N ATOM 411 CA GLN A 28 4.646 -10.852 4.372 1.00 71.40 C ATOM 412 C GLN A 28 4.760 -9.333 4.431 1.00 3.03 C ATOM 413 O GLN A 28 5.711 -8.792 4.995 1.00 64.11 O ATOM 414 CB GLN A 28 3.301 -11.299 4.947 1.00 2.54 C ATOM 415 CG GLN A 28 3.302 -12.729 5.461 1.00 75.54 C ATOM 416 CD GLN A 28 3.472 -12.809 6.965 1.00 43.30 C ATOM 417 OE1 GLN A 28 2.848 -12.054 7.712 1.00 54.32 O ATOM 418 NE2 GLN A 28 4.317 -13.727 7.419 1.00 1.31 N ATOM 0 H GLN A 28 5.762 -11.274 6.097 1.00 74.20 H new ATOM 0 HA GLN A 28 4.707 -11.161 3.329 1.00 71.40 H new ATOM 0 HB2 GLN A 28 3.023 -10.630 5.761 1.00 2.54 H new ATOM 0 HB3 GLN A 28 2.536 -11.199 4.177 1.00 2.54 H new ATOM 0 HG2 GLN A 28 2.367 -13.213 5.179 1.00 75.54 H new ATOM 0 HG3 GLN A 28 4.107 -13.284 4.978 1.00 75.54 H new ATOM 0 HE21 GLN A 28 4.813 -14.332 6.764 1.00 1.31 H new ATOM 0 HE22 GLN A 28 4.470 -13.828 8.422 1.00 1.31 H new ATOM 427 N TYR A 29 3.783 -8.650 3.845 1.00 14.42 N ATOM 428 CA TYR A 29 3.774 -7.191 3.828 1.00 14.25 C ATOM 429 C TYR A 29 3.025 -6.637 5.036 1.00 14.32 C ATOM 430 O TYR A 29 2.128 -7.285 5.576 1.00 52.31 O ATOM 431 CB TYR A 29 3.133 -6.679 2.537 1.00 14.24 C ATOM 432 CG TYR A 29 4.114 -6.515 1.397 1.00 5.41 C ATOM 433 CD1 TYR A 29 5.022 -5.463 1.382 1.00 43.13 C ATOM 434 CD2 TYR A 29 4.132 -7.411 0.336 1.00 22.42 C ATOM 435 CE1 TYR A 29 5.919 -5.309 0.344 1.00 12.55 C ATOM 436 CE2 TYR A 29 5.027 -7.265 -0.707 1.00 41.10 C ATOM 437 CZ TYR A 29 5.918 -6.213 -0.699 1.00 41.43 C ATOM 438 OH TYR A 29 6.810 -6.063 -1.736 1.00 64.11 O ATOM 0 H TYR A 29 2.987 -9.082 3.376 1.00 14.42 H new ATOM 0 HA TYR A 29 4.807 -6.846 3.874 1.00 14.25 H new ATOM 0 HB2 TYR A 29 2.347 -7.370 2.232 1.00 14.24 H new ATOM 0 HB3 TYR A 29 2.655 -5.720 2.734 1.00 14.24 H new ATOM 0 HD1 TYR A 29 5.026 -4.754 2.196 1.00 43.13 H new ATOM 0 HD2 TYR A 29 3.435 -8.236 0.326 1.00 22.42 H new ATOM 0 HE1 TYR A 29 6.618 -4.486 0.348 1.00 12.55 H new ATOM 0 HE2 TYR A 29 5.028 -7.971 -1.524 1.00 41.10 H new ATOM 0 HH TYR A 29 7.627 -5.634 -1.406 1.00 64.11 H new ATOM 448 N LYS A 30 3.399 -5.432 5.453 1.00 70.52 N ATOM 449 CA LYS A 30 2.763 -4.787 6.596 1.00 5.24 C ATOM 450 C LYS A 30 2.759 -3.271 6.432 1.00 1.43 C ATOM 451 O LYS A 30 3.395 -2.733 5.524 1.00 11.11 O ATOM 452 CB LYS A 30 3.484 -5.169 7.890 1.00 40.33 C ATOM 453 CG LYS A 30 2.564 -5.744 8.953 1.00 51.31 C ATOM 454 CD LYS A 30 3.144 -5.569 10.347 1.00 14.13 C ATOM 455 CE LYS A 30 2.085 -5.110 11.337 1.00 3.22 C ATOM 456 NZ LYS A 30 1.099 -6.185 11.634 1.00 72.41 N ATOM 0 H LYS A 30 4.139 -4.882 5.017 1.00 70.52 H new ATOM 0 HA LYS A 30 1.730 -5.132 6.648 1.00 5.24 H new ATOM 0 HB2 LYS A 30 4.261 -5.898 7.661 1.00 40.33 H new ATOM 0 HB3 LYS A 30 3.983 -4.287 8.292 1.00 40.33 H new ATOM 0 HG2 LYS A 30 1.592 -5.254 8.898 1.00 51.31 H new ATOM 0 HG3 LYS A 30 2.398 -6.803 8.757 1.00 51.31 H new ATOM 0 HD2 LYS A 30 3.575 -6.512 10.684 1.00 14.13 H new ATOM 0 HD3 LYS A 30 3.955 -4.841 10.316 1.00 14.13 H new ATOM 0 HE2 LYS A 30 2.566 -4.793 12.262 1.00 3.22 H new ATOM 0 HE3 LYS A 30 1.564 -4.241 10.935 1.00 3.22 H new ATOM 0 HZ1 LYS A 30 0.394 -5.832 12.313 1.00 72.41 H new ATOM 0 HZ2 LYS A 30 0.621 -6.470 10.755 1.00 72.41 H new ATOM 0 HZ3 LYS A 30 1.592 -7.005 12.042 1.00 72.41 H new ATOM 470 N LEU A 31 2.041 -2.586 7.315 1.00 52.32 N ATOM 471 CA LEU A 31 1.956 -1.131 7.269 1.00 11.01 C ATOM 472 C LEU A 31 3.336 -0.511 7.071 1.00 4.11 C ATOM 473 O LEU A 31 3.522 0.355 6.216 1.00 53.53 O ATOM 474 CB LEU A 31 1.324 -0.596 8.555 1.00 63.22 C ATOM 475 CG LEU A 31 -0.173 -0.858 8.727 1.00 41.11 C ATOM 476 CD1 LEU A 31 -0.593 -0.627 10.170 1.00 0.51 C ATOM 477 CD2 LEU A 31 -0.980 0.025 7.786 1.00 31.51 C ATOM 0 H LEU A 31 1.509 -3.015 8.072 1.00 52.32 H new ATOM 0 HA LEU A 31 1.329 -0.855 6.421 1.00 11.01 H new ATOM 0 HB2 LEU A 31 1.849 -1.034 9.404 1.00 63.22 H new ATOM 0 HB3 LEU A 31 1.491 0.480 8.598 1.00 63.22 H new ATOM 0 HG LEU A 31 -0.372 -1.900 8.475 1.00 41.11 H new ATOM 0 HD11 LEU A 31 -1.661 -0.818 10.273 1.00 0.51 H new ATOM 0 HD12 LEU A 31 -0.039 -1.302 10.823 1.00 0.51 H new ATOM 0 HD13 LEU A 31 -0.380 0.405 10.450 1.00 0.51 H new ATOM 0 HD21 LEU A 31 -2.043 -0.175 7.922 1.00 31.51 H new ATOM 0 HD22 LEU A 31 -0.777 1.073 8.006 1.00 31.51 H new ATOM 0 HD23 LEU A 31 -0.699 -0.190 6.755 1.00 31.51 H new ATOM 489 N LYS A 32 4.301 -0.962 7.865 1.00 52.24 N ATOM 490 CA LYS A 32 5.665 -0.454 7.777 1.00 31.44 C ATOM 491 C LYS A 32 6.033 -0.135 6.330 1.00 44.55 C ATOM 492 O LYS A 32 6.518 0.958 6.031 1.00 63.11 O ATOM 493 CB LYS A 32 6.649 -1.477 8.350 1.00 32.41 C ATOM 494 CG LYS A 32 6.623 -1.562 9.865 1.00 53.44 C ATOM 495 CD LYS A 32 7.748 -2.436 10.395 1.00 14.14 C ATOM 496 CE LYS A 32 8.307 -1.896 11.702 1.00 2.52 C ATOM 497 NZ LYS A 32 7.680 -2.548 12.884 1.00 45.32 N ATOM 0 H LYS A 32 4.164 -1.679 8.577 1.00 52.24 H new ATOM 0 HA LYS A 32 5.724 0.465 8.361 1.00 31.44 H new ATOM 0 HB2 LYS A 32 6.422 -2.459 7.935 1.00 32.41 H new ATOM 0 HB3 LYS A 32 7.657 -1.220 8.026 1.00 32.41 H new ATOM 0 HG2 LYS A 32 6.709 -0.561 10.288 1.00 53.44 H new ATOM 0 HG3 LYS A 32 5.664 -1.965 10.191 1.00 53.44 H new ATOM 0 HD2 LYS A 32 7.380 -3.451 10.547 1.00 14.14 H new ATOM 0 HD3 LYS A 32 8.545 -2.494 9.654 1.00 14.14 H new ATOM 0 HE2 LYS A 32 9.385 -2.055 11.729 1.00 2.52 H new ATOM 0 HE3 LYS A 32 8.142 -0.820 11.751 1.00 2.52 H new ATOM 0 HZ1 LYS A 32 8.088 -2.153 13.755 1.00 45.32 H new ATOM 0 HZ2 LYS A 32 6.654 -2.376 12.872 1.00 45.32 H new ATOM 0 HZ3 LYS A 32 7.859 -3.572 12.851 1.00 45.32 H new ATOM 511 N HIS A 33 5.799 -1.092 5.439 1.00 15.24 N ATOM 512 CA HIS A 33 6.104 -0.910 4.024 1.00 31.44 C ATOM 513 C HIS A 33 5.216 0.170 3.412 1.00 62.32 C ATOM 514 O HIS A 33 5.741 0.947 2.614 1.00 4.15 O ATOM 515 CB HIS A 33 5.921 -2.227 3.267 1.00 43.30 C ATOM 516 CG HIS A 33 6.598 -3.392 3.921 1.00 63.25 C ATOM 517 ND1 HIS A 33 5.908 -4.450 4.473 1.00 73.22 N ATOM 518 CD2 HIS A 33 7.910 -3.662 4.108 1.00 54.15 C ATOM 519 CE1 HIS A 33 6.768 -5.320 4.972 1.00 63.31 C ATOM 520 NE2 HIS A 33 7.990 -4.866 4.763 1.00 53.33 N ATOM 0 H HIS A 33 5.399 -2.001 5.671 1.00 15.24 H new ATOM 0 HA HIS A 33 7.143 -0.593 3.939 1.00 31.44 H new ATOM 0 HB2 HIS A 33 4.856 -2.440 3.177 1.00 43.30 H new ATOM 0 HB3 HIS A 33 6.310 -2.112 2.255 1.00 43.30 H new ATOM 0 HD2 HIS A 33 8.741 -3.045 3.799 1.00 54.15 H new ATOM 0 HE1 HIS A 33 6.514 -6.246 5.467 1.00 63.31 H new ATOM 0 HE2 HIS A 33 8.853 -5.333 5.042 1.00 53.33 H new ATOM 528 N ILE A 34 3.934 0.236 3.751 1.00 24.12 N ATOM 529 CA ILE A 34 3.047 1.251 3.193 1.00 74.21 C ATOM 530 C ILE A 34 3.541 2.654 3.526 1.00 21.01 C ATOM 531 O ILE A 34 3.827 3.452 2.633 1.00 4.54 O ATOM 532 CB ILE A 34 1.607 1.088 3.714 1.00 53.10 C ATOM 533 CG1 ILE A 34 1.049 -0.280 3.315 1.00 41.41 C ATOM 534 CG2 ILE A 34 0.722 2.204 3.179 1.00 20.43 C ATOM 535 CD1 ILE A 34 -0.363 -0.520 3.800 1.00 63.20 C ATOM 0 H ILE A 34 3.485 -0.401 4.409 1.00 24.12 H new ATOM 0 HA ILE A 34 3.050 1.114 2.112 1.00 74.21 H new ATOM 0 HB ILE A 34 1.620 1.150 4.802 1.00 53.10 H new ATOM 0 HG12 ILE A 34 1.072 -0.370 2.229 1.00 41.41 H new ATOM 0 HG13 ILE A 34 1.699 -1.059 3.713 1.00 41.41 H new ATOM 0 HG21 ILE A 34 -0.293 2.076 3.556 1.00 20.43 H new ATOM 0 HG22 ILE A 34 1.112 3.167 3.508 1.00 20.43 H new ATOM 0 HG23 ILE A 34 0.712 2.170 2.090 1.00 20.43 H new ATOM 0 HD11 ILE A 34 -0.694 -1.508 3.481 1.00 63.20 H new ATOM 0 HD12 ILE A 34 -0.389 -0.462 4.888 1.00 63.20 H new ATOM 0 HD13 ILE A 34 -1.025 0.237 3.381 1.00 63.20 H new ATOM 547 N VAL A 35 3.643 2.950 4.818 1.00 65.21 N ATOM 548 CA VAL A 35 4.105 4.256 5.270 1.00 44.12 C ATOM 549 C VAL A 35 5.433 4.624 4.618 1.00 44.30 C ATOM 550 O VAL A 35 5.597 5.731 4.103 1.00 72.13 O ATOM 551 CB VAL A 35 4.269 4.296 6.801 1.00 24.31 C ATOM 552 CG1 VAL A 35 4.914 5.602 7.236 1.00 73.13 C ATOM 553 CG2 VAL A 35 2.924 4.101 7.485 1.00 4.13 C ATOM 0 H VAL A 35 3.411 2.302 5.571 1.00 65.21 H new ATOM 0 HA VAL A 35 3.345 4.980 4.975 1.00 44.12 H new ATOM 0 HB VAL A 35 4.925 3.479 7.100 1.00 24.31 H new ATOM 0 HG11 VAL A 35 5.021 5.611 8.321 1.00 73.13 H new ATOM 0 HG12 VAL A 35 5.897 5.694 6.773 1.00 73.13 H new ATOM 0 HG13 VAL A 35 4.287 6.438 6.926 1.00 73.13 H new ATOM 0 HG21 VAL A 35 3.058 4.132 8.566 1.00 4.13 H new ATOM 0 HG22 VAL A 35 2.243 4.895 7.181 1.00 4.13 H new ATOM 0 HG23 VAL A 35 2.507 3.136 7.199 1.00 4.13 H new ATOM 563 N TRP A 36 6.377 3.691 4.643 1.00 51.33 N ATOM 564 CA TRP A 36 7.692 3.918 4.054 1.00 24.44 C ATOM 565 C TRP A 36 7.570 4.320 2.589 1.00 1.02 C ATOM 566 O TRP A 36 8.461 4.963 2.035 1.00 61.23 O ATOM 567 CB TRP A 36 8.553 2.660 4.179 1.00 61.44 C ATOM 568 CG TRP A 36 9.832 2.735 3.400 1.00 45.13 C ATOM 569 CD1 TRP A 36 11.023 3.245 3.829 1.00 71.30 C ATOM 570 CD2 TRP A 36 10.044 2.287 2.057 1.00 60.31 C ATOM 571 NE1 TRP A 36 11.964 3.142 2.833 1.00 32.44 N ATOM 572 CE2 TRP A 36 11.388 2.556 1.736 1.00 50.24 C ATOM 573 CE3 TRP A 36 9.230 1.682 1.096 1.00 41.42 C ATOM 574 CZ2 TRP A 36 11.934 2.243 0.494 1.00 60.34 C ATOM 575 CZ3 TRP A 36 9.772 1.373 -0.137 1.00 71.13 C ATOM 576 CH2 TRP A 36 11.114 1.652 -0.429 1.00 63.35 C ATOM 0 H TRP A 36 6.257 2.770 5.065 1.00 51.33 H new ATOM 0 HA TRP A 36 8.170 4.733 4.597 1.00 24.44 H new ATOM 0 HB2 TRP A 36 8.786 2.491 5.230 1.00 61.44 H new ATOM 0 HB3 TRP A 36 7.978 1.799 3.837 1.00 61.44 H new ATOM 0 HD1 TRP A 36 11.200 3.667 4.807 1.00 71.30 H new ATOM 0 HE1 TRP A 36 12.934 3.451 2.899 1.00 32.44 H new ATOM 0 HE3 TRP A 36 8.196 1.460 1.313 1.00 41.42 H new ATOM 0 HZ2 TRP A 36 12.968 2.459 0.267 1.00 60.34 H new ATOM 0 HZ3 TRP A 36 9.151 0.909 -0.889 1.00 71.13 H new ATOM 0 HH2 TRP A 36 11.509 1.396 -1.401 1.00 63.35 H new ATOM 587 N ALA A 37 6.459 3.938 1.965 1.00 42.14 N ATOM 588 CA ALA A 37 6.220 4.262 0.564 1.00 54.32 C ATOM 589 C ALA A 37 5.512 5.606 0.424 1.00 32.02 C ATOM 590 O ALA A 37 5.959 6.479 -0.319 1.00 3.34 O ATOM 591 CB ALA A 37 5.406 3.162 -0.100 1.00 3.45 C ATOM 0 H ALA A 37 5.711 3.404 2.408 1.00 42.14 H new ATOM 0 HA ALA A 37 7.186 4.337 0.064 1.00 54.32 H new ATOM 0 HB1 ALA A 37 5.235 3.417 -1.146 1.00 3.45 H new ATOM 0 HB2 ALA A 37 5.951 2.220 -0.041 1.00 3.45 H new ATOM 0 HB3 ALA A 37 4.448 3.060 0.410 1.00 3.45 H new ATOM 597 N SER A 38 4.405 5.764 1.143 1.00 71.21 N ATOM 598 CA SER A 38 3.633 6.999 1.096 1.00 54.40 C ATOM 599 C SER A 38 4.489 8.192 1.512 1.00 60.13 C ATOM 600 O SER A 38 4.310 9.303 1.014 1.00 1.42 O ATOM 601 CB SER A 38 2.407 6.895 2.006 1.00 20.23 C ATOM 602 OG SER A 38 1.409 6.074 1.424 1.00 11.20 O ATOM 0 H SER A 38 4.023 5.051 1.765 1.00 71.21 H new ATOM 0 HA SER A 38 3.302 7.152 0.069 1.00 54.40 H new ATOM 0 HB2 SER A 38 2.701 6.486 2.973 1.00 20.23 H new ATOM 0 HB3 SER A 38 2.002 7.890 2.191 1.00 20.23 H new ATOM 0 HG SER A 38 1.711 5.142 1.424 1.00 11.20 H new ATOM 608 N ARG A 39 5.420 7.952 2.429 1.00 74.42 N ATOM 609 CA ARG A 39 6.304 9.005 2.914 1.00 13.40 C ATOM 610 C ARG A 39 7.364 9.349 1.871 1.00 4.01 C ATOM 611 O ARG A 39 8.128 10.299 2.039 1.00 71.33 O ATOM 612 CB ARG A 39 6.979 8.574 4.218 1.00 3.31 C ATOM 613 CG ARG A 39 7.268 9.728 5.165 1.00 13.12 C ATOM 614 CD ARG A 39 6.053 10.072 6.012 1.00 11.11 C ATOM 615 NE ARG A 39 6.006 9.289 7.244 1.00 14.30 N ATOM 616 CZ ARG A 39 5.154 9.529 8.235 1.00 21.23 C ATOM 617 NH1 ARG A 39 4.282 10.523 8.138 1.00 34.52 N ATOM 618 NH2 ARG A 39 5.172 8.772 9.325 1.00 15.31 N ATOM 0 H ARG A 39 5.582 7.038 2.851 1.00 74.42 H new ATOM 0 HA ARG A 39 5.700 9.893 3.101 1.00 13.40 H new ATOM 0 HB2 ARG A 39 6.341 7.850 4.725 1.00 3.31 H new ATOM 0 HB3 ARG A 39 7.914 8.066 3.982 1.00 3.31 H new ATOM 0 HG2 ARG A 39 8.103 9.466 5.815 1.00 13.12 H new ATOM 0 HG3 ARG A 39 7.572 10.603 4.591 1.00 13.12 H new ATOM 0 HD2 ARG A 39 6.071 11.134 6.258 1.00 11.11 H new ATOM 0 HD3 ARG A 39 5.146 9.894 5.434 1.00 11.11 H new ATOM 0 HE ARG A 39 6.663 8.516 7.349 1.00 14.30 H new ATOM 0 HH11 ARG A 39 4.264 11.106 7.301 1.00 34.52 H new ATOM 0 HH12 ARG A 39 3.629 10.705 8.900 1.00 34.52 H new ATOM 0 HH21 ARG A 39 5.840 8.005 9.402 1.00 15.31 H new ATOM 0 HH22 ARG A 39 4.518 8.957 10.085 1.00 15.31 H new ATOM 632 N GLU A 40 7.402 8.571 0.795 1.00 32.20 N ATOM 633 CA GLU A 40 8.369 8.792 -0.274 1.00 1.40 C ATOM 634 C GLU A 40 7.725 9.531 -1.444 1.00 53.51 C ATOM 635 O GLU A 40 8.294 10.483 -1.981 1.00 12.12 O ATOM 636 CB GLU A 40 8.947 7.460 -0.754 1.00 52.30 C ATOM 637 CG GLU A 40 10.333 7.582 -1.364 1.00 5.24 C ATOM 638 CD GLU A 40 11.386 7.974 -0.347 1.00 54.44 C ATOM 639 OE1 GLU A 40 11.871 7.082 0.381 1.00 24.54 O ATOM 640 OE2 GLU A 40 11.726 9.173 -0.277 1.00 10.41 O ATOM 0 H GLU A 40 6.775 7.782 0.640 1.00 32.20 H new ATOM 0 HA GLU A 40 9.177 9.407 0.123 1.00 1.40 H new ATOM 0 HB2 GLU A 40 8.989 6.768 0.087 1.00 52.30 H new ATOM 0 HB3 GLU A 40 8.272 7.025 -1.491 1.00 52.30 H new ATOM 0 HG2 GLU A 40 10.610 6.631 -1.820 1.00 5.24 H new ATOM 0 HG3 GLU A 40 10.310 8.324 -2.162 1.00 5.24 H new ATOM 647 N LEU A 41 6.536 9.087 -1.835 1.00 50.13 N ATOM 648 CA LEU A 41 5.814 9.705 -2.942 1.00 52.42 C ATOM 649 C LEU A 41 5.688 11.211 -2.737 1.00 50.24 C ATOM 650 O LEU A 41 5.901 11.993 -3.663 1.00 25.30 O ATOM 651 CB LEU A 41 4.424 9.080 -3.082 1.00 14.41 C ATOM 652 CG LEU A 41 4.391 7.594 -3.437 1.00 24.54 C ATOM 653 CD1 LEU A 41 2.955 7.101 -3.534 1.00 74.20 C ATOM 654 CD2 LEU A 41 5.134 7.338 -4.741 1.00 42.03 C ATOM 0 H LEU A 41 6.051 8.301 -1.402 1.00 50.13 H new ATOM 0 HA LEU A 41 6.380 9.528 -3.857 1.00 52.42 H new ATOM 0 HB2 LEU A 41 3.888 9.221 -2.144 1.00 14.41 H new ATOM 0 HB3 LEU A 41 3.876 9.629 -3.848 1.00 14.41 H new ATOM 0 HG LEU A 41 4.892 7.040 -2.643 1.00 24.54 H new ATOM 0 HD11 LEU A 41 2.951 6.041 -3.788 1.00 74.20 H new ATOM 0 HD12 LEU A 41 2.455 7.247 -2.577 1.00 74.20 H new ATOM 0 HD13 LEU A 41 2.429 7.661 -4.307 1.00 74.20 H new ATOM 0 HD21 LEU A 41 5.099 6.274 -4.977 1.00 42.03 H new ATOM 0 HD22 LEU A 41 4.663 7.903 -5.545 1.00 42.03 H new ATOM 0 HD23 LEU A 41 6.172 7.653 -4.636 1.00 42.03 H new ATOM 666 N GLU A 42 5.343 11.611 -1.516 1.00 31.54 N ATOM 667 CA GLU A 42 5.191 13.023 -1.190 1.00 50.42 C ATOM 668 C GLU A 42 6.417 13.818 -1.629 1.00 12.30 C ATOM 669 O GLU A 42 6.306 14.972 -2.044 1.00 64.04 O ATOM 670 CB GLU A 42 4.966 13.201 0.314 1.00 15.23 C ATOM 671 CG GLU A 42 3.573 13.694 0.666 1.00 23.11 C ATOM 672 CD GLU A 42 3.594 14.996 1.442 1.00 64.13 C ATOM 673 OE1 GLU A 42 3.694 14.943 2.686 1.00 3.43 O ATOM 674 OE2 GLU A 42 3.509 16.068 0.806 1.00 40.01 O ATOM 0 H GLU A 42 5.164 10.977 -0.738 1.00 31.54 H new ATOM 0 HA GLU A 42 4.322 13.402 -1.728 1.00 50.42 H new ATOM 0 HB2 GLU A 42 5.143 12.249 0.815 1.00 15.23 H new ATOM 0 HB3 GLU A 42 5.701 13.906 0.702 1.00 15.23 H new ATOM 0 HG2 GLU A 42 2.998 13.830 -0.250 1.00 23.11 H new ATOM 0 HG3 GLU A 42 3.060 12.933 1.254 1.00 23.11 H new ATOM 681 N ARG A 43 7.586 13.193 -1.534 1.00 21.02 N ATOM 682 CA ARG A 43 8.833 13.842 -1.920 1.00 62.11 C ATOM 683 C ARG A 43 9.074 13.707 -3.421 1.00 33.02 C ATOM 684 O ARG A 43 9.818 14.489 -4.014 1.00 50.42 O ATOM 685 CB ARG A 43 10.006 13.238 -1.148 1.00 75.23 C ATOM 686 CG ARG A 43 10.793 14.257 -0.340 1.00 14.32 C ATOM 687 CD ARG A 43 11.553 13.598 0.801 1.00 13.42 C ATOM 688 NE ARG A 43 12.648 14.436 1.285 1.00 32.13 N ATOM 689 CZ ARG A 43 13.759 14.665 0.594 1.00 41.24 C ATOM 690 NH1 ARG A 43 13.922 14.122 -0.604 1.00 53.33 N ATOM 691 NH2 ARG A 43 14.710 15.439 1.102 1.00 62.54 N ATOM 0 H ARG A 43 7.696 12.238 -1.193 1.00 21.02 H new ATOM 0 HA ARG A 43 8.753 14.901 -1.676 1.00 62.11 H new ATOM 0 HB2 ARG A 43 9.629 12.467 -0.476 1.00 75.23 H new ATOM 0 HB3 ARG A 43 10.679 12.747 -1.851 1.00 75.23 H new ATOM 0 HG2 ARG A 43 11.494 14.777 -0.993 1.00 14.32 H new ATOM 0 HG3 ARG A 43 10.113 15.009 0.061 1.00 14.32 H new ATOM 0 HD2 ARG A 43 10.866 13.389 1.621 1.00 13.42 H new ATOM 0 HD3 ARG A 43 11.950 12.640 0.466 1.00 13.42 H new ATOM 0 HE ARG A 43 12.554 14.869 2.204 1.00 32.13 H new ATOM 0 HH11 ARG A 43 13.193 13.527 -0.998 1.00 53.33 H new ATOM 0 HH12 ARG A 43 14.776 14.300 -1.132 1.00 53.33 H new ATOM 0 HH21 ARG A 43 14.588 15.858 2.024 1.00 62.54 H new ATOM 0 HH22 ARG A 43 15.563 15.614 0.571 1.00 62.54 H new ATOM 705 N PHE A 44 8.443 12.709 -4.029 1.00 25.10 N ATOM 706 CA PHE A 44 8.590 12.470 -5.460 1.00 4.02 C ATOM 707 C PHE A 44 7.532 13.236 -6.251 1.00 62.42 C ATOM 708 O PHE A 44 7.151 12.832 -7.350 1.00 15.23 O ATOM 709 CB PHE A 44 8.485 10.974 -5.763 1.00 52.14 C ATOM 710 CG PHE A 44 9.802 10.255 -5.686 1.00 30.44 C ATOM 711 CD1 PHE A 44 10.758 10.423 -6.675 1.00 3.24 C ATOM 712 CD2 PHE A 44 10.083 9.408 -4.626 1.00 44.15 C ATOM 713 CE1 PHE A 44 11.969 9.764 -6.608 1.00 74.42 C ATOM 714 CE2 PHE A 44 11.294 8.745 -4.552 1.00 22.34 C ATOM 715 CZ PHE A 44 12.238 8.922 -5.545 1.00 25.52 C ATOM 0 H PHE A 44 7.825 12.052 -3.553 1.00 25.10 H new ATOM 0 HA PHE A 44 9.575 12.827 -5.763 1.00 4.02 H new ATOM 0 HB2 PHE A 44 7.788 10.517 -5.060 1.00 52.14 H new ATOM 0 HB3 PHE A 44 8.065 10.842 -6.760 1.00 52.14 H new ATOM 0 HD1 PHE A 44 10.553 11.078 -7.509 1.00 3.24 H new ATOM 0 HD2 PHE A 44 9.347 9.264 -3.848 1.00 44.15 H new ATOM 0 HE1 PHE A 44 12.705 9.906 -7.385 1.00 74.42 H new ATOM 0 HE2 PHE A 44 11.502 8.090 -3.719 1.00 22.34 H new ATOM 0 HZ PHE A 44 13.184 8.404 -5.491 1.00 25.52 H new ATOM 725 N ALA A 45 7.061 14.341 -5.682 1.00 25.31 N ATOM 726 CA ALA A 45 6.049 15.163 -6.333 1.00 31.43 C ATOM 727 C ALA A 45 4.790 14.353 -6.628 1.00 20.33 C ATOM 728 O ALA A 45 3.969 14.744 -7.458 1.00 15.23 O ATOM 729 CB ALA A 45 6.603 15.765 -7.615 1.00 12.32 C ATOM 0 H ALA A 45 7.364 14.687 -4.772 1.00 25.31 H new ATOM 0 HA ALA A 45 5.779 15.970 -5.652 1.00 31.43 H new ATOM 0 HB1 ALA A 45 5.836 16.377 -8.091 1.00 12.32 H new ATOM 0 HB2 ALA A 45 7.469 16.385 -7.381 1.00 12.32 H new ATOM 0 HB3 ALA A 45 6.902 14.965 -8.293 1.00 12.32 H new ATOM 735 N VAL A 46 4.646 13.222 -5.944 1.00 4.33 N ATOM 736 CA VAL A 46 3.487 12.358 -6.133 1.00 21.30 C ATOM 737 C VAL A 46 2.626 12.311 -4.876 1.00 40.23 C ATOM 738 O VAL A 46 3.124 12.060 -3.779 1.00 3.03 O ATOM 739 CB VAL A 46 3.911 10.925 -6.506 1.00 44.04 C ATOM 740 CG1 VAL A 46 2.707 9.995 -6.504 1.00 11.11 C ATOM 741 CG2 VAL A 46 4.605 10.910 -7.859 1.00 41.44 C ATOM 0 H VAL A 46 5.317 12.883 -5.255 1.00 4.33 H new ATOM 0 HA VAL A 46 2.906 12.782 -6.952 1.00 21.30 H new ATOM 0 HB VAL A 46 4.618 10.567 -5.758 1.00 44.04 H new ATOM 0 HG11 VAL A 46 3.025 8.987 -6.770 1.00 11.11 H new ATOM 0 HG12 VAL A 46 2.258 9.984 -5.511 1.00 11.11 H new ATOM 0 HG13 VAL A 46 1.974 10.347 -7.230 1.00 11.11 H new ATOM 0 HG21 VAL A 46 4.898 9.890 -8.106 1.00 41.44 H new ATOM 0 HG22 VAL A 46 3.924 11.287 -8.622 1.00 41.44 H new ATOM 0 HG23 VAL A 46 5.492 11.542 -7.820 1.00 41.44 H new ATOM 751 N ASN A 47 1.330 12.554 -5.043 1.00 4.51 N ATOM 752 CA ASN A 47 0.398 12.540 -3.921 1.00 31.15 C ATOM 753 C ASN A 47 0.197 11.119 -3.399 1.00 11.43 C ATOM 754 O ASN A 47 0.052 10.165 -4.165 1.00 52.44 O ATOM 755 CB ASN A 47 -0.946 13.137 -4.341 1.00 64.44 C ATOM 756 CG ASN A 47 -0.841 14.606 -4.697 1.00 44.32 C ATOM 757 OD1 ASN A 47 -0.806 14.971 -5.872 1.00 51.42 O ATOM 758 ND2 ASN A 47 -0.790 15.459 -3.679 1.00 34.04 N ATOM 0 H ASN A 47 0.901 12.763 -5.945 1.00 4.51 H new ATOM 0 HA ASN A 47 0.822 13.145 -3.120 1.00 31.15 H new ATOM 0 HB2 ASN A 47 -1.333 12.585 -5.198 1.00 64.44 H new ATOM 0 HB3 ASN A 47 -1.664 13.013 -3.531 1.00 64.44 H new ATOM 0 HD21 ASN A 47 -0.719 16.461 -3.856 1.00 34.04 H new ATOM 0 HD22 ASN A 47 -0.822 15.112 -2.720 1.00 34.04 H new ATOM 765 N PRO A 48 0.187 10.975 -2.067 1.00 43.33 N ATOM 766 CA PRO A 48 0.003 9.677 -1.412 1.00 62.20 C ATOM 767 C PRO A 48 -1.415 9.139 -1.579 1.00 54.11 C ATOM 768 O PRO A 48 -1.726 8.034 -1.135 1.00 41.50 O ATOM 769 CB PRO A 48 0.290 9.977 0.061 1.00 73.42 C ATOM 770 CG PRO A 48 -0.009 11.429 0.217 1.00 31.43 C ATOM 771 CD PRO A 48 0.354 12.069 -1.095 1.00 64.45 C ATOM 0 HA PRO A 48 0.650 8.911 -1.839 1.00 62.20 H new ATOM 0 HB2 PRO A 48 -0.335 9.371 0.717 1.00 73.42 H new ATOM 0 HB3 PRO A 48 1.327 9.757 0.315 1.00 73.42 H new ATOM 0 HG2 PRO A 48 -1.062 11.588 0.451 1.00 31.43 H new ATOM 0 HG3 PRO A 48 0.568 11.861 1.035 1.00 31.43 H new ATOM 0 HD2 PRO A 48 -0.297 12.913 -1.324 1.00 64.45 H new ATOM 0 HD3 PRO A 48 1.376 12.448 -1.088 1.00 64.45 H new ATOM 779 N GLY A 49 -2.269 9.927 -2.224 1.00 62.32 N ATOM 780 CA GLY A 49 -3.643 9.512 -2.438 1.00 24.24 C ATOM 781 C GLY A 49 -3.797 8.621 -3.655 1.00 41.42 C ATOM 782 O GLY A 49 -4.871 8.071 -3.899 1.00 23.53 O ATOM 0 H GLY A 49 -2.034 10.845 -2.602 1.00 62.32 H new ATOM 0 HA2 GLY A 49 -4.001 8.981 -1.556 1.00 24.24 H new ATOM 0 HA3 GLY A 49 -4.272 10.395 -2.556 1.00 24.24 H new ATOM 786 N LEU A 50 -2.721 8.479 -4.422 1.00 41.20 N ATOM 787 CA LEU A 50 -2.741 7.649 -5.621 1.00 22.42 C ATOM 788 C LEU A 50 -2.335 6.215 -5.298 1.00 61.02 C ATOM 789 O LEU A 50 -1.897 5.469 -6.175 1.00 22.13 O ATOM 790 CB LEU A 50 -1.804 8.229 -6.683 1.00 42.13 C ATOM 791 CG LEU A 50 -1.856 9.747 -6.866 1.00 72.21 C ATOM 792 CD1 LEU A 50 -0.583 10.248 -7.529 1.00 53.32 C ATOM 793 CD2 LEU A 50 -3.077 10.143 -7.685 1.00 72.44 C ATOM 0 H LEU A 50 -1.824 8.928 -4.235 1.00 41.20 H new ATOM 0 HA LEU A 50 -3.760 7.640 -6.009 1.00 22.42 H new ATOM 0 HB2 LEU A 50 -0.782 7.948 -6.429 1.00 42.13 H new ATOM 0 HB3 LEU A 50 -2.036 7.760 -7.639 1.00 42.13 H new ATOM 0 HG LEU A 50 -1.936 10.210 -5.883 1.00 72.21 H new ATOM 0 HD11 LEU A 50 -0.638 11.330 -7.651 1.00 53.32 H new ATOM 0 HD12 LEU A 50 0.275 9.996 -6.906 1.00 53.32 H new ATOM 0 HD13 LEU A 50 -0.472 9.778 -8.506 1.00 53.32 H new ATOM 0 HD21 LEU A 50 -3.099 11.226 -7.806 1.00 72.44 H new ATOM 0 HD22 LEU A 50 -3.027 9.670 -8.666 1.00 72.44 H new ATOM 0 HD23 LEU A 50 -3.981 9.817 -7.171 1.00 72.44 H new ATOM 805 N LEU A 51 -2.485 5.833 -4.035 1.00 42.42 N ATOM 806 CA LEU A 51 -2.136 4.487 -3.596 1.00 45.15 C ATOM 807 C LEU A 51 -3.387 3.688 -3.243 1.00 51.13 C ATOM 808 O LEU A 51 -3.340 2.464 -3.127 1.00 32.33 O ATOM 809 CB LEU A 51 -1.200 4.550 -2.387 1.00 44.25 C ATOM 810 CG LEU A 51 0.117 5.297 -2.596 1.00 24.14 C ATOM 811 CD1 LEU A 51 0.922 5.332 -1.306 1.00 24.34 C ATOM 812 CD2 LEU A 51 0.924 4.652 -3.713 1.00 33.33 C ATOM 0 H LEU A 51 -2.846 6.437 -3.296 1.00 42.42 H new ATOM 0 HA LEU A 51 -1.626 3.985 -4.418 1.00 45.15 H new ATOM 0 HB2 LEU A 51 -1.735 5.022 -1.563 1.00 44.25 H new ATOM 0 HB3 LEU A 51 -0.971 3.531 -2.077 1.00 44.25 H new ATOM 0 HG LEU A 51 -0.111 6.323 -2.885 1.00 24.14 H new ATOM 0 HD11 LEU A 51 1.856 5.868 -1.474 1.00 24.34 H new ATOM 0 HD12 LEU A 51 0.347 5.840 -0.532 1.00 24.34 H new ATOM 0 HD13 LEU A 51 1.141 4.313 -0.986 1.00 24.34 H new ATOM 0 HD21 LEU A 51 1.858 5.197 -3.848 1.00 33.33 H new ATOM 0 HD22 LEU A 51 1.142 3.616 -3.453 1.00 33.33 H new ATOM 0 HD23 LEU A 51 0.350 4.680 -4.639 1.00 33.33 H new ATOM 824 N GLU A 52 -4.504 4.389 -3.078 1.00 41.32 N ATOM 825 CA GLU A 52 -5.767 3.745 -2.740 1.00 23.43 C ATOM 826 C GLU A 52 -6.497 3.284 -3.999 1.00 14.01 C ATOM 827 O GLU A 52 -7.304 2.356 -3.960 1.00 21.20 O ATOM 828 CB GLU A 52 -6.657 4.700 -1.943 1.00 64.05 C ATOM 829 CG GLU A 52 -6.834 6.059 -2.601 1.00 72.32 C ATOM 830 CD GLU A 52 -8.251 6.585 -2.479 1.00 14.14 C ATOM 831 OE1 GLU A 52 -9.167 5.967 -3.061 1.00 0.30 O ATOM 832 OE2 GLU A 52 -8.443 7.616 -1.801 1.00 41.23 O ATOM 0 H GLU A 52 -4.560 5.403 -3.173 1.00 41.32 H new ATOM 0 HA GLU A 52 -5.546 2.871 -2.128 1.00 23.43 H new ATOM 0 HB2 GLU A 52 -7.636 4.242 -1.806 1.00 64.05 H new ATOM 0 HB3 GLU A 52 -6.229 4.839 -0.950 1.00 64.05 H new ATOM 0 HG2 GLU A 52 -6.145 6.771 -2.146 1.00 72.32 H new ATOM 0 HG3 GLU A 52 -6.567 5.986 -3.655 1.00 72.32 H new ATOM 839 N THR A 53 -6.206 3.942 -5.118 1.00 21.15 N ATOM 840 CA THR A 53 -6.834 3.603 -6.388 1.00 20.33 C ATOM 841 C THR A 53 -5.838 2.941 -7.335 1.00 64.11 C ATOM 842 O THR A 53 -4.739 3.450 -7.550 1.00 43.11 O ATOM 843 CB THR A 53 -7.424 4.850 -7.074 1.00 74.24 C ATOM 844 OG1 THR A 53 -6.479 5.391 -8.004 1.00 11.40 O ATOM 845 CG2 THR A 53 -7.794 5.909 -6.045 1.00 34.43 C ATOM 0 H THR A 53 -5.539 4.712 -5.169 1.00 21.15 H new ATOM 0 HA THR A 53 -7.640 2.904 -6.165 1.00 20.33 H new ATOM 0 HB THR A 53 -8.327 4.552 -7.607 1.00 74.24 H new ATOM 0 HG1 THR A 53 -6.862 6.182 -8.437 1.00 11.40 H new ATOM 0 HG21 THR A 53 -8.208 6.780 -6.552 1.00 34.43 H new ATOM 0 HG22 THR A 53 -8.535 5.504 -5.356 1.00 34.43 H new ATOM 0 HG23 THR A 53 -6.904 6.203 -5.489 1.00 34.43 H new ATOM 853 N SER A 54 -6.231 1.802 -7.897 1.00 11.04 N ATOM 854 CA SER A 54 -5.372 1.068 -8.819 1.00 52.24 C ATOM 855 C SER A 54 -4.881 1.974 -9.944 1.00 42.34 C ATOM 856 O SER A 54 -3.791 1.780 -10.479 1.00 14.55 O ATOM 857 CB SER A 54 -6.121 -0.130 -9.404 1.00 65.41 C ATOM 858 OG SER A 54 -7.422 -0.238 -8.851 1.00 52.24 O ATOM 0 H SER A 54 -7.139 1.368 -7.730 1.00 11.04 H new ATOM 0 HA SER A 54 -4.507 0.709 -8.262 1.00 52.24 H new ATOM 0 HB2 SER A 54 -6.190 -0.026 -10.487 1.00 65.41 H new ATOM 0 HB3 SER A 54 -5.561 -1.044 -9.207 1.00 65.41 H new ATOM 0 HG SER A 54 -7.881 -1.010 -9.242 1.00 52.24 H new ATOM 864 N GLU A 55 -5.696 2.965 -10.294 1.00 31.23 N ATOM 865 CA GLU A 55 -5.347 3.901 -11.356 1.00 75.25 C ATOM 866 C GLU A 55 -4.128 4.734 -10.967 1.00 31.03 C ATOM 867 O GLU A 55 -3.316 5.100 -11.816 1.00 21.32 O ATOM 868 CB GLU A 55 -6.529 4.821 -11.665 1.00 55.41 C ATOM 869 CG GLU A 55 -6.689 5.131 -13.144 1.00 74.51 C ATOM 870 CD GLU A 55 -7.984 5.856 -13.452 1.00 42.23 C ATOM 871 OE1 GLU A 55 -8.461 6.613 -12.580 1.00 61.32 O ATOM 872 OE2 GLU A 55 -8.521 5.669 -14.563 1.00 74.21 O ATOM 0 H GLU A 55 -6.601 3.140 -9.858 1.00 31.23 H new ATOM 0 HA GLU A 55 -5.103 3.324 -12.248 1.00 75.25 H new ATOM 0 HB2 GLU A 55 -7.445 4.357 -11.298 1.00 55.41 H new ATOM 0 HB3 GLU A 55 -6.404 5.755 -11.118 1.00 55.41 H new ATOM 0 HG2 GLU A 55 -5.848 5.740 -13.477 1.00 74.51 H new ATOM 0 HG3 GLU A 55 -6.654 4.201 -13.712 1.00 74.51 H new ATOM 879 N GLY A 56 -4.007 5.030 -9.676 1.00 23.34 N ATOM 880 CA GLY A 56 -2.887 5.818 -9.197 1.00 41.12 C ATOM 881 C GLY A 56 -1.556 5.129 -9.423 1.00 51.32 C ATOM 882 O GLY A 56 -0.631 5.719 -9.983 1.00 24.44 O ATOM 0 H GLY A 56 -4.665 4.738 -8.954 1.00 23.34 H new ATOM 0 HA2 GLY A 56 -2.883 6.784 -9.702 1.00 41.12 H new ATOM 0 HA3 GLY A 56 -3.014 6.016 -8.133 1.00 41.12 H new ATOM 886 N CYS A 57 -1.456 3.879 -8.984 1.00 64.33 N ATOM 887 CA CYS A 57 -0.227 3.109 -9.138 1.00 14.31 C ATOM 888 C CYS A 57 0.163 2.998 -10.608 1.00 15.40 C ATOM 889 O CYS A 57 1.323 3.201 -10.970 1.00 11.51 O ATOM 890 CB CYS A 57 -0.395 1.715 -8.535 1.00 33.33 C ATOM 891 SG CYS A 57 0.132 1.587 -6.810 1.00 43.21 S ATOM 0 H CYS A 57 -2.212 3.377 -8.518 1.00 64.33 H new ATOM 0 HA CYS A 57 0.569 3.631 -8.608 1.00 14.31 H new ATOM 0 HB2 CYS A 57 -1.443 1.424 -8.606 1.00 33.33 H new ATOM 0 HB3 CYS A 57 0.174 1.002 -9.131 1.00 33.33 H new ATOM 0 HG CYS A 57 1.037 0.661 -6.700 1.00 43.21 H new ATOM 897 N ARG A 58 -0.812 2.674 -11.451 1.00 55.24 N ATOM 898 CA ARG A 58 -0.569 2.532 -12.882 1.00 34.10 C ATOM 899 C ARG A 58 0.266 3.695 -13.410 1.00 42.24 C ATOM 900 O ARG A 58 1.039 3.538 -14.354 1.00 14.20 O ATOM 901 CB ARG A 58 -1.895 2.458 -13.640 1.00 21.34 C ATOM 902 CG ARG A 58 -1.979 1.287 -14.607 1.00 51.14 C ATOM 903 CD ARG A 58 -2.208 1.759 -16.035 1.00 63.45 C ATOM 904 NE ARG A 58 -2.876 0.744 -16.845 1.00 73.22 N ATOM 905 CZ ARG A 58 -2.243 -0.281 -17.406 1.00 21.44 C ATOM 906 NH1 ARG A 58 -0.935 -0.426 -17.244 1.00 32.42 N ATOM 907 NH2 ARG A 58 -2.919 -1.164 -18.130 1.00 4.43 N ATOM 0 H ARG A 58 -1.777 2.505 -11.168 1.00 55.24 H new ATOM 0 HA ARG A 58 -0.014 1.607 -13.041 1.00 34.10 H new ATOM 0 HB2 ARG A 58 -2.711 2.384 -12.921 1.00 21.34 H new ATOM 0 HB3 ARG A 58 -2.040 3.386 -14.193 1.00 21.34 H new ATOM 0 HG2 ARG A 58 -1.058 0.706 -14.558 1.00 51.14 H new ATOM 0 HG3 ARG A 58 -2.790 0.624 -14.307 1.00 51.14 H new ATOM 0 HD2 ARG A 58 -2.809 2.668 -16.025 1.00 63.45 H new ATOM 0 HD3 ARG A 58 -1.251 2.015 -16.490 1.00 63.45 H new ATOM 0 HE ARG A 58 -3.883 0.826 -16.988 1.00 73.22 H new ATOM 0 HH11 ARG A 58 -0.412 0.250 -16.688 1.00 32.42 H new ATOM 0 HH12 ARG A 58 -0.452 -1.214 -17.676 1.00 32.42 H new ATOM 0 HH21 ARG A 58 -3.925 -1.056 -18.256 1.00 4.43 H new ATOM 0 HH22 ARG A 58 -2.432 -1.950 -18.560 1.00 4.43 H new ATOM 921 N GLN A 59 0.104 4.861 -12.793 1.00 44.22 N ATOM 922 CA GLN A 59 0.842 6.051 -13.201 1.00 21.33 C ATOM 923 C GLN A 59 2.104 6.223 -12.363 1.00 44.24 C ATOM 924 O GLN A 59 3.127 6.699 -12.855 1.00 22.41 O ATOM 925 CB GLN A 59 -0.042 7.293 -13.076 1.00 45.24 C ATOM 926 CG GLN A 59 0.719 8.600 -13.234 1.00 24.32 C ATOM 927 CD GLN A 59 -0.080 9.655 -13.972 1.00 22.21 C ATOM 928 OE1 GLN A 59 -1.064 10.183 -13.451 1.00 23.33 O ATOM 929 NE2 GLN A 59 0.338 9.970 -15.192 1.00 23.42 N ATOM 0 H GLN A 59 -0.532 5.007 -12.009 1.00 44.22 H new ATOM 0 HA GLN A 59 1.135 5.926 -14.243 1.00 21.33 H new ATOM 0 HB2 GLN A 59 -0.828 7.247 -13.830 1.00 45.24 H new ATOM 0 HB3 GLN A 59 -0.533 7.283 -12.103 1.00 45.24 H new ATOM 0 HG2 GLN A 59 0.991 8.979 -12.249 1.00 24.32 H new ATOM 0 HG3 GLN A 59 1.649 8.412 -13.771 1.00 24.32 H new ATOM 0 HE21 GLN A 59 1.158 9.508 -15.585 1.00 23.42 H new ATOM 0 HE22 GLN A 59 -0.161 10.674 -15.736 1.00 23.42 H new ATOM 938 N ILE A 60 2.023 5.834 -11.095 1.00 61.34 N ATOM 939 CA ILE A 60 3.160 5.946 -10.189 1.00 62.45 C ATOM 940 C ILE A 60 4.282 4.995 -10.594 1.00 24.32 C ATOM 941 O ILE A 60 5.457 5.262 -10.344 1.00 60.45 O ATOM 942 CB ILE A 60 2.751 5.648 -8.733 1.00 20.14 C ATOM 943 CG1 ILE A 60 1.683 6.640 -8.268 1.00 60.43 C ATOM 944 CG2 ILE A 60 3.966 5.702 -7.821 1.00 41.24 C ATOM 945 CD1 ILE A 60 0.725 6.062 -7.250 1.00 3.25 C ATOM 0 H ILE A 60 1.183 5.439 -10.672 1.00 61.34 H new ATOM 0 HA ILE A 60 3.516 6.974 -10.255 1.00 62.45 H new ATOM 0 HB ILE A 60 2.331 4.643 -8.686 1.00 20.14 H new ATOM 0 HG12 ILE A 60 2.173 7.514 -7.839 1.00 60.43 H new ATOM 0 HG13 ILE A 60 1.117 6.984 -9.133 1.00 60.43 H new ATOM 0 HG21 ILE A 60 3.661 5.490 -6.796 1.00 41.24 H new ATOM 0 HG22 ILE A 60 4.696 4.960 -8.144 1.00 41.24 H new ATOM 0 HG23 ILE A 60 4.413 6.695 -7.868 1.00 41.24 H new ATOM 0 HD11 ILE A 60 -0.005 6.820 -6.965 1.00 3.25 H new ATOM 0 HD12 ILE A 60 0.208 5.205 -7.682 1.00 3.25 H new ATOM 0 HD13 ILE A 60 1.280 5.743 -6.368 1.00 3.25 H new ATOM 957 N LEU A 61 3.910 3.886 -11.224 1.00 71.13 N ATOM 958 CA LEU A 61 4.885 2.895 -11.666 1.00 32.42 C ATOM 959 C LEU A 61 5.467 3.273 -13.025 1.00 44.31 C ATOM 960 O LEU A 61 6.557 2.834 -13.389 1.00 73.31 O ATOM 961 CB LEU A 61 4.236 1.512 -11.744 1.00 21.45 C ATOM 962 CG LEU A 61 3.885 0.859 -10.407 1.00 73.31 C ATOM 963 CD1 LEU A 61 2.964 -0.333 -10.620 1.00 54.23 C ATOM 964 CD2 LEU A 61 5.149 0.434 -9.673 1.00 45.31 C ATOM 0 H LEU A 61 2.941 3.651 -11.440 1.00 71.13 H new ATOM 0 HA LEU A 61 5.696 2.869 -10.938 1.00 32.42 H new ATOM 0 HB2 LEU A 61 3.325 1.593 -12.336 1.00 21.45 H new ATOM 0 HB3 LEU A 61 4.909 0.847 -12.285 1.00 21.45 H new ATOM 0 HG LEU A 61 3.361 1.592 -9.793 1.00 73.31 H new ATOM 0 HD11 LEU A 61 2.725 -0.785 -9.657 1.00 54.23 H new ATOM 0 HD12 LEU A 61 2.045 -0.001 -11.103 1.00 54.23 H new ATOM 0 HD13 LEU A 61 3.461 -1.068 -11.253 1.00 54.23 H new ATOM 0 HD21 LEU A 61 4.880 -0.029 -8.723 1.00 45.31 H new ATOM 0 HD22 LEU A 61 5.700 -0.282 -10.282 1.00 45.31 H new ATOM 0 HD23 LEU A 61 5.773 1.308 -9.487 1.00 45.31 H new ATOM 976 N GLY A 62 4.732 4.093 -13.770 1.00 23.34 N ATOM 977 CA GLY A 62 5.192 4.519 -15.079 1.00 32.42 C ATOM 978 C GLY A 62 6.330 5.517 -14.997 1.00 34.13 C ATOM 979 O GLY A 62 7.170 5.585 -15.894 1.00 25.32 O ATOM 0 H GLY A 62 3.826 4.470 -13.490 1.00 23.34 H new ATOM 0 HA2 GLY A 62 5.517 3.648 -15.648 1.00 32.42 H new ATOM 0 HA3 GLY A 62 4.361 4.964 -15.626 1.00 32.42 H new ATOM 983 N GLN A 63 6.357 6.294 -13.919 1.00 11.32 N ATOM 984 CA GLN A 63 7.398 7.295 -13.727 1.00 53.15 C ATOM 985 C GLN A 63 8.704 6.644 -13.280 1.00 61.14 C ATOM 986 O GLN A 63 9.762 6.885 -13.864 1.00 64.42 O ATOM 987 CB GLN A 63 6.954 8.332 -12.693 1.00 5.33 C ATOM 988 CG GLN A 63 6.479 9.639 -13.309 1.00 5.01 C ATOM 989 CD GLN A 63 7.602 10.639 -13.495 1.00 22.33 C ATOM 990 OE1 GLN A 63 8.598 10.355 -14.162 1.00 63.32 O ATOM 991 NE2 GLN A 63 7.448 11.818 -12.905 1.00 11.31 N ATOM 0 H GLN A 63 5.670 6.249 -13.166 1.00 11.32 H new ATOM 0 HA GLN A 63 7.568 7.792 -14.682 1.00 53.15 H new ATOM 0 HB2 GLN A 63 6.150 7.911 -12.090 1.00 5.33 H new ATOM 0 HB3 GLN A 63 7.784 8.539 -12.018 1.00 5.33 H new ATOM 0 HG2 GLN A 63 6.017 9.434 -14.275 1.00 5.01 H new ATOM 0 HG3 GLN A 63 5.709 10.077 -12.674 1.00 5.01 H new ATOM 0 HE21 GLN A 63 6.606 12.010 -12.362 1.00 11.31 H new ATOM 0 HE22 GLN A 63 8.171 12.532 -12.995 1.00 11.31 H new ATOM 1000 N LEU A 64 8.623 5.819 -12.242 1.00 63.12 N ATOM 1001 CA LEU A 64 9.798 5.132 -11.716 1.00 5.04 C ATOM 1002 C LEU A 64 10.269 4.047 -12.679 1.00 21.32 C ATOM 1003 O LEU A 64 11.441 3.671 -12.678 1.00 11.30 O ATOM 1004 CB LEU A 64 9.485 4.519 -10.351 1.00 71.42 C ATOM 1005 CG LEU A 64 8.734 5.416 -9.368 1.00 71.32 C ATOM 1006 CD1 LEU A 64 8.390 4.649 -8.100 1.00 34.41 C ATOM 1007 CD2 LEU A 64 9.557 6.653 -9.038 1.00 23.41 C ATOM 0 H LEU A 64 7.756 5.609 -11.748 1.00 63.12 H new ATOM 0 HA LEU A 64 10.598 5.864 -11.603 1.00 5.04 H new ATOM 0 HB2 LEU A 64 8.898 3.614 -10.508 1.00 71.42 H new ATOM 0 HB3 LEU A 64 10.424 4.214 -9.889 1.00 71.42 H new ATOM 0 HG LEU A 64 7.804 5.737 -9.837 1.00 71.32 H new ATOM 0 HD11 LEU A 64 7.856 5.304 -7.412 1.00 34.41 H new ATOM 0 HD12 LEU A 64 7.761 3.795 -8.351 1.00 34.41 H new ATOM 0 HD13 LEU A 64 9.307 4.297 -7.627 1.00 34.41 H new ATOM 0 HD21 LEU A 64 9.006 7.280 -8.337 1.00 23.41 H new ATOM 0 HD22 LEU A 64 10.503 6.351 -8.589 1.00 23.41 H new ATOM 0 HD23 LEU A 64 9.752 7.215 -9.952 1.00 23.41 H new ATOM 1019 N GLN A 65 9.349 3.550 -13.500 1.00 54.14 N ATOM 1020 CA GLN A 65 9.672 2.509 -14.468 1.00 55.24 C ATOM 1021 C GLN A 65 10.925 2.872 -15.260 1.00 63.22 C ATOM 1022 O GLN A 65 11.943 2.182 -15.208 1.00 72.42 O ATOM 1023 CB GLN A 65 8.498 2.289 -15.422 1.00 24.51 C ATOM 1024 CG GLN A 65 8.914 1.769 -16.789 1.00 0.33 C ATOM 1025 CD GLN A 65 7.743 1.242 -17.594 1.00 23.14 C ATOM 1026 OE1 GLN A 65 6.625 1.749 -17.492 1.00 70.51 O ATOM 1027 NE2 GLN A 65 7.992 0.218 -18.402 1.00 1.35 N ATOM 0 H GLN A 65 8.375 3.852 -13.514 1.00 54.14 H new ATOM 0 HA GLN A 65 9.864 1.586 -13.921 1.00 55.24 H new ATOM 0 HB2 GLN A 65 7.801 1.583 -14.971 1.00 24.51 H new ATOM 0 HB3 GLN A 65 7.962 3.230 -15.548 1.00 24.51 H new ATOM 0 HG2 GLN A 65 9.401 2.570 -17.345 1.00 0.33 H new ATOM 0 HG3 GLN A 65 9.650 0.975 -16.663 1.00 0.33 H new ATOM 0 HE21 GLN A 65 8.933 -0.172 -18.456 1.00 1.35 H new ATOM 0 HE22 GLN A 65 7.242 -0.179 -18.969 1.00 1.35 H new ATOM 1036 N PRO A 66 10.850 3.981 -16.011 1.00 62.32 N ATOM 1037 CA PRO A 66 11.969 4.460 -16.828 1.00 72.45 C ATOM 1038 C PRO A 66 13.119 4.994 -15.979 1.00 20.23 C ATOM 1039 O PRO A 66 14.156 5.397 -16.506 1.00 45.41 O ATOM 1040 CB PRO A 66 11.347 5.587 -17.655 1.00 43.12 C ATOM 1041 CG PRO A 66 10.193 6.062 -16.841 1.00 52.23 C ATOM 1042 CD PRO A 66 9.668 4.851 -16.120 1.00 61.04 C ATOM 0 HA PRO A 66 12.406 3.663 -17.429 1.00 72.45 H new ATOM 0 HB2 PRO A 66 12.063 6.389 -17.833 1.00 43.12 H new ATOM 0 HB3 PRO A 66 11.022 5.228 -18.632 1.00 43.12 H new ATOM 0 HG2 PRO A 66 10.504 6.832 -16.135 1.00 52.23 H new ATOM 0 HG3 PRO A 66 9.424 6.503 -17.475 1.00 52.23 H new ATOM 0 HD2 PRO A 66 9.267 5.109 -15.140 1.00 61.04 H new ATOM 0 HD3 PRO A 66 8.864 4.369 -16.676 1.00 61.04 H new ATOM 1050 N SER A 67 12.928 4.992 -14.664 1.00 12.45 N ATOM 1051 CA SER A 67 13.948 5.480 -13.743 1.00 14.42 C ATOM 1052 C SER A 67 14.667 4.318 -13.064 1.00 1.22 C ATOM 1053 O SER A 67 15.702 4.502 -12.422 1.00 2.44 O ATOM 1054 CB SER A 67 13.320 6.393 -12.689 1.00 12.22 C ATOM 1055 OG SER A 67 12.925 7.630 -13.255 1.00 11.41 O ATOM 0 H SER A 67 12.077 4.658 -14.212 1.00 12.45 H new ATOM 0 HA SER A 67 14.678 6.050 -14.317 1.00 14.42 H new ATOM 0 HB2 SER A 67 12.455 5.900 -12.245 1.00 12.22 H new ATOM 0 HB3 SER A 67 14.034 6.569 -11.884 1.00 12.22 H new ATOM 0 HG SER A 67 11.987 7.577 -13.535 1.00 11.41 H new ATOM 1061 N LEU A 68 14.110 3.121 -13.209 1.00 55.01 N ATOM 1062 CA LEU A 68 14.696 1.927 -12.610 1.00 60.50 C ATOM 1063 C LEU A 68 16.166 1.791 -12.993 1.00 32.40 C ATOM 1064 O LEU A 68 16.924 1.076 -12.338 1.00 51.30 O ATOM 1065 CB LEU A 68 13.925 0.681 -13.049 1.00 40.31 C ATOM 1066 CG LEU A 68 12.558 0.474 -12.397 1.00 70.51 C ATOM 1067 CD1 LEU A 68 11.800 -0.647 -13.093 1.00 62.02 C ATOM 1068 CD2 LEU A 68 12.714 0.172 -10.913 1.00 0.54 C ATOM 0 H LEU A 68 13.253 2.951 -13.736 1.00 55.01 H new ATOM 0 HA LEU A 68 14.630 2.024 -11.526 1.00 60.50 H new ATOM 0 HB2 LEU A 68 13.787 0.725 -14.129 1.00 40.31 H new ATOM 0 HB3 LEU A 68 14.540 -0.194 -12.842 1.00 40.31 H new ATOM 0 HG LEU A 68 11.984 1.395 -12.502 1.00 70.51 H new ATOM 0 HD11 LEU A 68 10.829 -0.781 -12.616 1.00 62.02 H new ATOM 0 HD12 LEU A 68 11.656 -0.392 -14.143 1.00 62.02 H new ATOM 0 HD13 LEU A 68 12.371 -1.573 -13.019 1.00 62.02 H new ATOM 0 HD21 LEU A 68 11.731 0.028 -10.466 1.00 0.54 H new ATOM 0 HD22 LEU A 68 13.307 -0.734 -10.786 1.00 0.54 H new ATOM 0 HD23 LEU A 68 13.217 1.006 -10.423 1.00 0.54 H new ATOM 1080 N GLN A 69 16.562 2.483 -14.057 1.00 25.30 N ATOM 1081 CA GLN A 69 17.942 2.440 -14.526 1.00 22.33 C ATOM 1082 C GLN A 69 18.693 3.705 -14.125 1.00 42.50 C ATOM 1083 O GLN A 69 19.854 3.649 -13.719 1.00 64.22 O ATOM 1084 CB GLN A 69 17.981 2.269 -16.045 1.00 71.30 C ATOM 1085 CG GLN A 69 19.386 2.117 -16.604 1.00 22.24 C ATOM 1086 CD GLN A 69 20.123 0.931 -16.014 1.00 35.22 C ATOM 1087 OE1 GLN A 69 19.841 -0.220 -16.350 1.00 22.03 O ATOM 1088 NE2 GLN A 69 21.074 1.205 -15.129 1.00 73.10 N ATOM 0 H GLN A 69 15.947 3.080 -14.610 1.00 25.30 H new ATOM 0 HA GLN A 69 18.432 1.586 -14.059 1.00 22.33 H new ATOM 0 HB2 GLN A 69 17.393 1.393 -16.319 1.00 71.30 H new ATOM 0 HB3 GLN A 69 17.505 3.131 -16.512 1.00 71.30 H new ATOM 0 HG2 GLN A 69 19.332 2.004 -17.687 1.00 22.24 H new ATOM 0 HG3 GLN A 69 19.952 3.027 -16.406 1.00 22.24 H new ATOM 0 HE21 GLN A 69 21.275 2.173 -14.880 1.00 73.10 H new ATOM 0 HE22 GLN A 69 21.604 0.447 -14.699 1.00 73.10 H new ATOM 1097 N THR A 70 18.023 4.847 -14.242 1.00 42.35 N ATOM 1098 CA THR A 70 18.626 6.127 -13.893 1.00 54.24 C ATOM 1099 C THR A 70 18.745 6.286 -12.381 1.00 22.13 C ATOM 1100 O THR A 70 19.487 7.137 -11.892 1.00 33.42 O ATOM 1101 CB THR A 70 17.813 7.306 -14.459 1.00 25.23 C ATOM 1102 OG1 THR A 70 17.199 6.927 -15.696 1.00 11.43 O ATOM 1103 CG2 THR A 70 18.701 8.520 -14.680 1.00 40.35 C ATOM 0 H THR A 70 17.061 4.911 -14.576 1.00 42.35 H new ATOM 0 HA THR A 70 19.622 6.137 -14.336 1.00 54.24 H new ATOM 0 HB THR A 70 17.042 7.568 -13.735 1.00 25.23 H new ATOM 0 HG1 THR A 70 16.682 7.681 -16.049 1.00 11.43 H new ATOM 0 HG21 THR A 70 18.104 9.339 -15.080 1.00 40.35 H new ATOM 0 HG22 THR A 70 19.145 8.824 -13.732 1.00 40.35 H new ATOM 0 HG23 THR A 70 19.492 8.269 -15.387 1.00 40.35 H new ATOM 1111 N GLY A 71 18.007 5.460 -11.644 1.00 1.24 N ATOM 1112 CA GLY A 71 18.044 5.525 -10.196 1.00 53.44 C ATOM 1113 C GLY A 71 18.865 4.407 -9.586 1.00 61.43 C ATOM 1114 O GLY A 71 19.234 3.453 -10.272 1.00 70.22 O ATOM 0 H GLY A 71 17.385 4.747 -12.025 1.00 1.24 H new ATOM 0 HA2 GLY A 71 18.459 6.485 -9.889 1.00 53.44 H new ATOM 0 HA3 GLY A 71 17.027 5.478 -9.807 1.00 53.44 H new ATOM 1118 N SER A 72 19.153 4.522 -8.293 1.00 51.10 N ATOM 1119 CA SER A 72 19.941 3.515 -7.593 1.00 53.53 C ATOM 1120 C SER A 72 19.036 2.471 -6.946 1.00 61.10 C ATOM 1121 O SER A 72 17.882 2.305 -7.340 1.00 32.25 O ATOM 1122 CB SER A 72 20.820 4.175 -6.528 1.00 10.22 C ATOM 1123 OG SER A 72 20.068 4.485 -5.367 1.00 33.32 O ATOM 0 H SER A 72 18.852 5.303 -7.709 1.00 51.10 H new ATOM 0 HA SER A 72 20.579 3.016 -8.322 1.00 53.53 H new ATOM 0 HB2 SER A 72 21.642 3.508 -6.266 1.00 10.22 H new ATOM 0 HB3 SER A 72 21.264 5.085 -6.931 1.00 10.22 H new ATOM 0 HG SER A 72 20.652 4.904 -4.701 1.00 33.32 H new ATOM 1129 N GLU A 73 19.569 1.770 -5.949 1.00 15.55 N ATOM 1130 CA GLU A 73 18.811 0.741 -5.248 1.00 3.55 C ATOM 1131 C GLU A 73 17.605 1.346 -4.536 1.00 64.55 C ATOM 1132 O GLU A 73 16.655 0.641 -4.195 1.00 12.12 O ATOM 1133 CB GLU A 73 19.703 0.017 -4.240 1.00 71.34 C ATOM 1134 CG GLU A 73 19.696 -1.495 -4.395 1.00 4.02 C ATOM 1135 CD GLU A 73 20.394 -1.955 -5.660 1.00 4.23 C ATOM 1136 OE1 GLU A 73 21.257 -1.208 -6.165 1.00 15.24 O ATOM 1137 OE2 GLU A 73 20.076 -3.061 -6.145 1.00 12.14 O ATOM 0 H GLU A 73 20.522 1.897 -5.609 1.00 15.55 H new ATOM 0 HA GLU A 73 18.453 0.022 -5.985 1.00 3.55 H new ATOM 0 HB2 GLU A 73 20.725 0.380 -4.346 1.00 71.34 H new ATOM 0 HB3 GLU A 73 19.378 0.272 -3.231 1.00 71.34 H new ATOM 0 HG2 GLU A 73 20.183 -1.947 -3.531 1.00 4.02 H new ATOM 0 HG3 GLU A 73 18.666 -1.851 -4.403 1.00 4.02 H new ATOM 1144 N GLU A 74 17.651 2.656 -4.314 1.00 22.03 N ATOM 1145 CA GLU A 74 16.563 3.355 -3.641 1.00 22.30 C ATOM 1146 C GLU A 74 15.305 3.368 -4.506 1.00 13.04 C ATOM 1147 O GLU A 74 14.190 3.234 -4.002 1.00 25.15 O ATOM 1148 CB GLU A 74 16.978 4.788 -3.304 1.00 11.23 C ATOM 1149 CG GLU A 74 17.799 4.901 -2.031 1.00 14.43 C ATOM 1150 CD GLU A 74 19.239 5.293 -2.298 1.00 34.02 C ATOM 1151 OE1 GLU A 74 19.469 6.429 -2.762 1.00 30.03 O ATOM 1152 OE2 GLU A 74 20.137 4.462 -2.043 1.00 43.40 O ATOM 0 H GLU A 74 18.430 3.254 -4.590 1.00 22.03 H new ATOM 0 HA GLU A 74 16.341 2.822 -2.717 1.00 22.30 H new ATOM 0 HB2 GLU A 74 17.554 5.195 -4.135 1.00 11.23 H new ATOM 0 HB3 GLU A 74 16.083 5.403 -3.205 1.00 11.23 H new ATOM 0 HG2 GLU A 74 17.342 5.639 -1.373 1.00 14.43 H new ATOM 0 HG3 GLU A 74 17.778 3.947 -1.504 1.00 14.43 H new ATOM 1159 N LEU A 75 15.496 3.530 -5.811 1.00 3.34 N ATOM 1160 CA LEU A 75 14.378 3.561 -6.748 1.00 32.14 C ATOM 1161 C LEU A 75 13.840 2.157 -7.001 1.00 3.11 C ATOM 1162 O LEU A 75 12.705 1.988 -7.449 1.00 75.45 O ATOM 1163 CB LEU A 75 14.812 4.198 -8.070 1.00 53.03 C ATOM 1164 CG LEU A 75 13.695 4.798 -8.925 1.00 55.33 C ATOM 1165 CD1 LEU A 75 13.999 6.250 -9.258 1.00 35.23 C ATOM 1166 CD2 LEU A 75 13.505 3.986 -10.198 1.00 63.32 C ATOM 0 H LEU A 75 16.413 3.642 -6.244 1.00 3.34 H new ATOM 0 HA LEU A 75 13.583 4.161 -6.306 1.00 32.14 H new ATOM 0 HB2 LEU A 75 15.536 4.983 -7.852 1.00 53.03 H new ATOM 0 HB3 LEU A 75 15.329 3.443 -8.662 1.00 53.03 H new ATOM 0 HG LEU A 75 12.768 4.764 -8.353 1.00 55.33 H new ATOM 0 HD11 LEU A 75 13.193 6.660 -9.867 1.00 35.23 H new ATOM 0 HD12 LEU A 75 14.085 6.824 -8.336 1.00 35.23 H new ATOM 0 HD13 LEU A 75 14.937 6.308 -9.811 1.00 35.23 H new ATOM 0 HD21 LEU A 75 12.706 4.427 -10.795 1.00 63.32 H new ATOM 0 HD22 LEU A 75 14.431 3.988 -10.773 1.00 63.32 H new ATOM 0 HD23 LEU A 75 13.241 2.961 -9.939 1.00 63.32 H new ATOM 1178 N ARG A 76 14.660 1.152 -6.709 1.00 11.43 N ATOM 1179 CA ARG A 76 14.266 -0.237 -6.903 1.00 30.33 C ATOM 1180 C ARG A 76 13.396 -0.722 -5.747 1.00 22.22 C ATOM 1181 O ARG A 76 12.551 -1.601 -5.919 1.00 53.31 O ATOM 1182 CB ARG A 76 15.503 -1.127 -7.034 1.00 71.22 C ATOM 1183 CG ARG A 76 16.031 -1.232 -8.455 1.00 65.33 C ATOM 1184 CD ARG A 76 16.217 -2.683 -8.874 1.00 4.15 C ATOM 1185 NE ARG A 76 16.380 -2.818 -10.319 1.00 51.00 N ATOM 1186 CZ ARG A 76 17.523 -2.587 -10.954 1.00 31.33 C ATOM 1187 NH1 ARG A 76 18.598 -2.213 -10.276 1.00 53.31 N ATOM 1188 NH2 ARG A 76 17.592 -2.732 -12.272 1.00 75.03 N ATOM 0 H ARG A 76 15.602 1.275 -6.337 1.00 11.43 H new ATOM 0 HA ARG A 76 13.684 -0.298 -7.823 1.00 30.33 H new ATOM 0 HB2 ARG A 76 16.291 -0.736 -6.391 1.00 71.22 H new ATOM 0 HB3 ARG A 76 15.261 -2.126 -6.671 1.00 71.22 H new ATOM 0 HG2 ARG A 76 15.339 -0.740 -9.139 1.00 65.33 H new ATOM 0 HG3 ARG A 76 16.982 -0.705 -8.531 1.00 65.33 H new ATOM 0 HD2 ARG A 76 17.091 -3.097 -8.370 1.00 4.15 H new ATOM 0 HD3 ARG A 76 15.356 -3.267 -8.550 1.00 4.15 H new ATOM 0 HE ARG A 76 15.572 -3.105 -10.871 1.00 51.00 H new ATOM 0 HH11 ARG A 76 18.549 -2.102 -9.263 1.00 53.31 H new ATOM 0 HH12 ARG A 76 19.475 -2.036 -10.767 1.00 53.31 H new ATOM 0 HH21 ARG A 76 16.767 -3.021 -12.797 1.00 75.03 H new ATOM 0 HH22 ARG A 76 18.470 -2.554 -12.759 1.00 75.03 H new ATOM 1202 N SER A 77 13.610 -0.145 -4.569 1.00 14.42 N ATOM 1203 CA SER A 77 12.850 -0.521 -3.384 1.00 71.42 C ATOM 1204 C SER A 77 11.422 0.011 -3.462 1.00 55.23 C ATOM 1205 O SER A 77 10.492 -0.590 -2.923 1.00 3.15 O ATOM 1206 CB SER A 77 13.536 0.008 -2.122 1.00 10.05 C ATOM 1207 OG SER A 77 14.725 -0.712 -1.849 1.00 61.01 O ATOM 0 H SER A 77 14.304 0.585 -4.410 1.00 14.42 H new ATOM 0 HA SER A 77 12.811 -1.609 -3.338 1.00 71.42 H new ATOM 0 HB2 SER A 77 13.768 1.066 -2.246 1.00 10.05 H new ATOM 0 HB3 SER A 77 12.856 -0.072 -1.274 1.00 10.05 H new ATOM 0 HG SER A 77 15.418 -0.454 -2.492 1.00 61.01 H new ATOM 1213 N LEU A 78 11.257 1.144 -4.136 1.00 44.12 N ATOM 1214 CA LEU A 78 9.943 1.761 -4.286 1.00 34.31 C ATOM 1215 C LEU A 78 9.120 1.037 -5.347 1.00 13.22 C ATOM 1216 O LEU A 78 8.061 0.483 -5.055 1.00 22.13 O ATOM 1217 CB LEU A 78 10.090 3.237 -4.657 1.00 51.53 C ATOM 1218 CG LEU A 78 9.448 4.237 -3.696 1.00 41.04 C ATOM 1219 CD1 LEU A 78 9.843 3.927 -2.260 1.00 62.44 C ATOM 1220 CD2 LEU A 78 9.844 5.660 -4.063 1.00 21.24 C ATOM 0 H LEU A 78 12.016 1.654 -4.587 1.00 44.12 H new ATOM 0 HA LEU A 78 9.421 1.683 -3.332 1.00 34.31 H new ATOM 0 HB2 LEU A 78 11.153 3.468 -4.733 1.00 51.53 H new ATOM 0 HB3 LEU A 78 9.659 3.387 -5.647 1.00 51.53 H new ATOM 0 HG LEU A 78 8.365 4.148 -3.781 1.00 41.04 H new ATOM 0 HD11 LEU A 78 9.376 4.649 -1.590 1.00 62.44 H new ATOM 0 HD12 LEU A 78 9.509 2.923 -2.000 1.00 62.44 H new ATOM 0 HD13 LEU A 78 10.927 3.987 -2.160 1.00 62.44 H new ATOM 0 HD21 LEU A 78 9.378 6.358 -3.368 1.00 21.24 H new ATOM 0 HD22 LEU A 78 10.928 5.762 -4.007 1.00 21.24 H new ATOM 0 HD23 LEU A 78 9.511 5.880 -5.077 1.00 21.24 H new ATOM 1232 N TYR A 79 9.616 1.045 -6.580 1.00 54.15 N ATOM 1233 CA TYR A 79 8.928 0.390 -7.685 1.00 31.21 C ATOM 1234 C TYR A 79 8.461 -1.007 -7.286 1.00 42.02 C ATOM 1235 O TYR A 79 7.333 -1.403 -7.576 1.00 73.11 O ATOM 1236 CB TYR A 79 9.846 0.303 -8.905 1.00 33.55 C ATOM 1237 CG TYR A 79 9.156 -0.221 -10.146 1.00 52.31 C ATOM 1238 CD1 TYR A 79 8.286 0.583 -10.872 1.00 62.15 C ATOM 1239 CD2 TYR A 79 9.375 -1.519 -10.591 1.00 5.41 C ATOM 1240 CE1 TYR A 79 7.653 0.110 -12.004 1.00 61.50 C ATOM 1241 CE2 TYR A 79 8.748 -2.000 -11.724 1.00 50.21 C ATOM 1242 CZ TYR A 79 7.888 -1.182 -12.427 1.00 43.10 C ATOM 1243 OH TYR A 79 7.260 -1.658 -13.556 1.00 51.34 O ATOM 0 H TYR A 79 10.492 1.498 -6.838 1.00 54.15 H new ATOM 0 HA TYR A 79 8.052 0.987 -7.939 1.00 31.21 H new ATOM 0 HB2 TYR A 79 10.252 1.293 -9.115 1.00 33.55 H new ATOM 0 HB3 TYR A 79 10.691 -0.344 -8.668 1.00 33.55 H new ATOM 0 HD1 TYR A 79 8.102 1.596 -10.545 1.00 62.15 H new ATOM 0 HD2 TYR A 79 10.047 -2.162 -10.042 1.00 5.41 H new ATOM 0 HE1 TYR A 79 6.978 0.748 -12.555 1.00 61.50 H new ATOM 0 HE2 TYR A 79 8.930 -3.011 -12.058 1.00 50.21 H new ATOM 0 HH TYR A 79 7.535 -2.585 -13.717 1.00 51.34 H new ATOM 1253 N ASN A 80 9.338 -1.748 -6.615 1.00 3.20 N ATOM 1254 CA ASN A 80 9.016 -3.100 -6.175 1.00 40.32 C ATOM 1255 C ASN A 80 7.749 -3.108 -5.323 1.00 34.53 C ATOM 1256 O ASN A 80 6.706 -3.604 -5.749 1.00 64.41 O ATOM 1257 CB ASN A 80 10.182 -3.690 -5.379 1.00 72.02 C ATOM 1258 CG ASN A 80 11.209 -4.361 -6.270 1.00 75.42 C ATOM 1259 OD1 ASN A 80 11.328 -4.039 -7.452 1.00 61.15 O ATOM 1260 ND2 ASN A 80 11.958 -5.302 -5.705 1.00 62.21 N ATOM 0 H ASN A 80 10.276 -1.435 -6.365 1.00 3.20 H new ATOM 0 HA ASN A 80 8.841 -3.712 -7.060 1.00 40.32 H new ATOM 0 HB2 ASN A 80 10.664 -2.898 -4.806 1.00 72.02 H new ATOM 0 HB3 ASN A 80 9.798 -4.415 -4.661 1.00 72.02 H new ATOM 0 HD21 ASN A 80 12.666 -5.789 -6.255 1.00 62.21 H new ATOM 0 HD22 ASN A 80 11.825 -5.537 -4.721 1.00 62.21 H new ATOM 1267 N THR A 81 7.849 -2.554 -4.119 1.00 60.44 N ATOM 1268 CA THR A 81 6.712 -2.499 -3.207 1.00 14.04 C ATOM 1269 C THR A 81 5.488 -1.902 -3.893 1.00 72.04 C ATOM 1270 O THR A 81 4.426 -2.524 -3.938 1.00 13.14 O ATOM 1271 CB THR A 81 7.040 -1.669 -1.952 1.00 75.13 C ATOM 1272 OG1 THR A 81 8.111 -2.282 -1.226 1.00 33.11 O ATOM 1273 CG2 THR A 81 5.819 -1.543 -1.053 1.00 10.44 C ATOM 0 H THR A 81 8.705 -2.137 -3.752 1.00 60.44 H new ATOM 0 HA THR A 81 6.494 -3.524 -2.908 1.00 14.04 H new ATOM 0 HB THR A 81 7.342 -0.671 -2.271 1.00 75.13 H new ATOM 0 HG1 THR A 81 8.315 -1.747 -0.430 1.00 33.11 H new ATOM 0 HG21 THR A 81 6.074 -0.953 -0.173 1.00 10.44 H new ATOM 0 HG22 THR A 81 5.014 -1.051 -1.599 1.00 10.44 H new ATOM 0 HG23 THR A 81 5.492 -2.535 -0.742 1.00 10.44 H new ATOM 1281 N ILE A 82 5.643 -0.694 -4.423 1.00 53.33 N ATOM 1282 CA ILE A 82 4.550 -0.014 -5.106 1.00 31.15 C ATOM 1283 C ILE A 82 3.826 -0.959 -6.060 1.00 54.31 C ATOM 1284 O ILE A 82 2.601 -0.929 -6.166 1.00 23.34 O ATOM 1285 CB ILE A 82 5.053 1.209 -5.896 1.00 70.11 C ATOM 1286 CG1 ILE A 82 5.692 2.227 -4.949 1.00 23.10 C ATOM 1287 CG2 ILE A 82 3.910 1.845 -6.673 1.00 40.10 C ATOM 1288 CD1 ILE A 82 6.568 3.239 -5.653 1.00 12.45 C ATOM 0 H ILE A 82 6.515 -0.166 -4.393 1.00 53.33 H new ATOM 0 HA ILE A 82 3.857 0.322 -4.335 1.00 31.15 H new ATOM 0 HB ILE A 82 5.809 0.878 -6.607 1.00 70.11 H new ATOM 0 HG12 ILE A 82 4.905 2.753 -4.409 1.00 23.10 H new ATOM 0 HG13 ILE A 82 6.288 1.696 -4.207 1.00 23.10 H new ATOM 0 HG21 ILE A 82 4.282 2.708 -7.226 1.00 40.10 H new ATOM 0 HG22 ILE A 82 3.496 1.118 -7.371 1.00 40.10 H new ATOM 0 HG23 ILE A 82 3.133 2.166 -5.979 1.00 40.10 H new ATOM 0 HD11 ILE A 82 6.988 3.929 -4.921 1.00 12.45 H new ATOM 0 HD12 ILE A 82 7.377 2.723 -6.170 1.00 12.45 H new ATOM 0 HD13 ILE A 82 5.972 3.796 -6.376 1.00 12.45 H new ATOM 1300 N ALA A 83 4.593 -1.795 -6.750 1.00 62.43 N ATOM 1301 CA ALA A 83 4.025 -2.753 -7.692 1.00 10.31 C ATOM 1302 C ALA A 83 3.062 -3.705 -6.993 1.00 24.30 C ATOM 1303 O ALA A 83 1.973 -3.981 -7.494 1.00 24.33 O ATOM 1304 CB ALA A 83 5.133 -3.532 -8.384 1.00 44.21 C ATOM 0 H ALA A 83 5.610 -1.829 -6.675 1.00 62.43 H new ATOM 0 HA ALA A 83 3.463 -2.198 -8.443 1.00 10.31 H new ATOM 0 HB1 ALA A 83 4.695 -4.243 -9.084 1.00 44.21 H new ATOM 0 HB2 ALA A 83 5.780 -2.842 -8.925 1.00 44.21 H new ATOM 0 HB3 ALA A 83 5.719 -4.070 -7.639 1.00 44.21 H new ATOM 1310 N VAL A 84 3.471 -4.207 -5.831 1.00 42.41 N ATOM 1311 CA VAL A 84 2.644 -5.129 -5.063 1.00 24.11 C ATOM 1312 C VAL A 84 1.238 -4.572 -4.864 1.00 34.40 C ATOM 1313 O VAL A 84 0.251 -5.303 -4.949 1.00 33.33 O ATOM 1314 CB VAL A 84 3.265 -5.426 -3.685 1.00 31.33 C ATOM 1315 CG1 VAL A 84 2.330 -6.289 -2.853 1.00 60.43 C ATOM 1316 CG2 VAL A 84 4.621 -6.096 -3.847 1.00 73.55 C ATOM 0 H VAL A 84 4.370 -3.990 -5.402 1.00 42.41 H new ATOM 0 HA VAL A 84 2.588 -6.055 -5.636 1.00 24.11 H new ATOM 0 HB VAL A 84 3.412 -4.482 -3.160 1.00 31.33 H new ATOM 0 HG11 VAL A 84 2.786 -6.488 -1.883 1.00 60.43 H new ATOM 0 HG12 VAL A 84 1.384 -5.767 -2.709 1.00 60.43 H new ATOM 0 HG13 VAL A 84 2.149 -7.232 -3.369 1.00 60.43 H new ATOM 0 HG21 VAL A 84 5.046 -6.299 -2.864 1.00 73.55 H new ATOM 0 HG22 VAL A 84 4.501 -7.033 -4.391 1.00 73.55 H new ATOM 0 HG23 VAL A 84 5.289 -5.437 -4.402 1.00 73.55 H new ATOM 1326 N LEU A 85 1.155 -3.273 -4.600 1.00 3.13 N ATOM 1327 CA LEU A 85 -0.131 -2.616 -4.389 1.00 34.24 C ATOM 1328 C LEU A 85 -0.990 -2.685 -5.648 1.00 11.52 C ATOM 1329 O LEU A 85 -2.145 -3.108 -5.601 1.00 70.31 O ATOM 1330 CB LEU A 85 0.080 -1.157 -3.982 1.00 15.03 C ATOM 1331 CG LEU A 85 -1.182 -0.302 -3.870 1.00 50.03 C ATOM 1332 CD1 LEU A 85 -2.191 -0.959 -2.942 1.00 62.12 C ATOM 1333 CD2 LEU A 85 -0.837 1.097 -3.380 1.00 53.44 C ATOM 0 H LEU A 85 1.962 -2.654 -4.527 1.00 3.13 H new ATOM 0 HA LEU A 85 -0.651 -3.139 -3.587 1.00 34.24 H new ATOM 0 HB2 LEU A 85 0.593 -1.140 -3.020 1.00 15.03 H new ATOM 0 HB3 LEU A 85 0.747 -0.691 -4.707 1.00 15.03 H new ATOM 0 HG LEU A 85 -1.630 -0.219 -4.860 1.00 50.03 H new ATOM 0 HD11 LEU A 85 -3.083 -0.336 -2.875 1.00 62.12 H new ATOM 0 HD12 LEU A 85 -2.462 -1.939 -3.334 1.00 62.12 H new ATOM 0 HD13 LEU A 85 -1.753 -1.074 -1.951 1.00 62.12 H new ATOM 0 HD21 LEU A 85 -1.748 1.692 -3.306 1.00 53.44 H new ATOM 0 HD22 LEU A 85 -0.365 1.033 -2.400 1.00 53.44 H new ATOM 0 HD23 LEU A 85 -0.151 1.570 -4.083 1.00 53.44 H new ATOM 1345 N TYR A 86 -0.418 -2.268 -6.772 1.00 52.11 N ATOM 1346 CA TYR A 86 -1.131 -2.282 -8.044 1.00 20.33 C ATOM 1347 C TYR A 86 -1.822 -3.625 -8.265 1.00 12.45 C ATOM 1348 O TYR A 86 -3.024 -3.680 -8.527 1.00 30.05 O ATOM 1349 CB TYR A 86 -0.167 -1.996 -9.196 1.00 3.42 C ATOM 1350 CG TYR A 86 -0.798 -2.141 -10.563 1.00 14.33 C ATOM 1351 CD1 TYR A 86 -1.823 -1.296 -10.970 1.00 12.32 C ATOM 1352 CD2 TYR A 86 -0.367 -3.121 -11.448 1.00 71.34 C ATOM 1353 CE1 TYR A 86 -2.402 -1.426 -12.218 1.00 3.22 C ATOM 1354 CE2 TYR A 86 -0.939 -3.258 -12.698 1.00 64.01 C ATOM 1355 CZ TYR A 86 -1.957 -2.407 -13.078 1.00 61.55 C ATOM 1356 OH TYR A 86 -2.530 -2.539 -14.322 1.00 22.24 O ATOM 0 H TYR A 86 0.538 -1.916 -6.828 1.00 52.11 H new ATOM 0 HA TYR A 86 -1.892 -1.502 -8.014 1.00 20.33 H new ATOM 0 HB2 TYR A 86 0.222 -0.983 -9.090 1.00 3.42 H new ATOM 0 HB3 TYR A 86 0.684 -2.674 -9.124 1.00 3.42 H new ATOM 0 HD1 TYR A 86 -2.173 -0.525 -10.300 1.00 12.32 H new ATOM 0 HD2 TYR A 86 0.430 -3.788 -11.154 1.00 71.34 H new ATOM 0 HE1 TYR A 86 -3.199 -0.762 -12.518 1.00 3.22 H new ATOM 0 HE2 TYR A 86 -0.592 -4.026 -13.373 1.00 64.01 H new ATOM 0 HH TYR A 86 -2.101 -3.277 -14.803 1.00 22.24 H new ATOM 1366 N CYS A 87 -1.053 -4.703 -8.158 1.00 4.33 N ATOM 1367 CA CYS A 87 -1.591 -6.045 -8.347 1.00 31.51 C ATOM 1368 C CYS A 87 -2.650 -6.360 -7.296 1.00 74.31 C ATOM 1369 O CYS A 87 -3.591 -7.111 -7.553 1.00 51.00 O ATOM 1370 CB CYS A 87 -0.466 -7.080 -8.282 1.00 4.03 C ATOM 1371 SG CYS A 87 0.352 -7.382 -9.866 1.00 73.10 S ATOM 0 H CYS A 87 -0.057 -4.674 -7.942 1.00 4.33 H new ATOM 0 HA CYS A 87 -2.059 -6.088 -9.331 1.00 31.51 H new ATOM 0 HB2 CYS A 87 0.278 -6.747 -7.559 1.00 4.03 H new ATOM 0 HB3 CYS A 87 -0.873 -8.020 -7.910 1.00 4.03 H new ATOM 0 HG CYS A 87 1.289 -8.269 -9.708 1.00 73.10 H new ATOM 1377 N VAL A 88 -2.488 -5.783 -6.109 1.00 33.45 N ATOM 1378 CA VAL A 88 -3.430 -6.002 -5.018 1.00 63.53 C ATOM 1379 C VAL A 88 -4.772 -5.341 -5.309 1.00 42.21 C ATOM 1380 O VAL A 88 -5.822 -5.829 -4.889 1.00 52.55 O ATOM 1381 CB VAL A 88 -2.880 -5.461 -3.685 1.00 11.13 C ATOM 1382 CG1 VAL A 88 -3.991 -5.364 -2.650 1.00 73.45 C ATOM 1383 CG2 VAL A 88 -1.745 -6.339 -3.181 1.00 2.32 C ATOM 0 H VAL A 88 -1.713 -5.161 -5.879 1.00 33.45 H new ATOM 0 HA VAL A 88 -3.571 -7.079 -4.933 1.00 63.53 H new ATOM 0 HB VAL A 88 -2.485 -4.459 -3.854 1.00 11.13 H new ATOM 0 HG11 VAL A 88 -3.584 -4.980 -1.714 1.00 73.45 H new ATOM 0 HG12 VAL A 88 -4.768 -4.690 -3.012 1.00 73.45 H new ATOM 0 HG13 VAL A 88 -4.418 -6.352 -2.481 1.00 73.45 H new ATOM 0 HG21 VAL A 88 -1.369 -5.942 -2.238 1.00 2.32 H new ATOM 0 HG22 VAL A 88 -2.111 -7.354 -3.027 1.00 2.32 H new ATOM 0 HG23 VAL A 88 -0.941 -6.351 -3.916 1.00 2.32 H new ATOM 1393 N HIS A 89 -4.731 -4.225 -6.031 1.00 33.34 N ATOM 1394 CA HIS A 89 -5.944 -3.494 -6.381 1.00 24.50 C ATOM 1395 C HIS A 89 -6.642 -4.141 -7.575 1.00 1.11 C ATOM 1396 O HIS A 89 -7.871 -4.081 -7.612 1.00 73.04 O ATOM 1397 CB HIS A 89 -5.614 -2.036 -6.696 1.00 22.00 C ATOM 1398 CG HIS A 89 -5.533 -1.163 -5.481 1.00 64.50 C ATOM 1399 ND1 HIS A 89 -6.520 -1.120 -4.519 1.00 15.52 N ATOM 1400 CD2 HIS A 89 -4.574 -0.299 -5.074 1.00 63.23 C ATOM 1401 CE1 HIS A 89 -6.172 -0.266 -3.573 1.00 74.01 C ATOM 1402 NE2 HIS A 89 -4.995 0.245 -3.886 1.00 12.20 N ATOM 0 H HIS A 89 -3.870 -3.807 -6.385 1.00 33.34 H new ATOM 0 HA HIS A 89 -6.619 -3.528 -5.526 1.00 24.50 H new ATOM 0 HB2 HIS A 89 -4.663 -1.994 -7.227 1.00 22.00 H new ATOM 0 HB3 HIS A 89 -6.373 -1.638 -7.369 1.00 22.00 H new ATOM 0 HD2 HIS A 89 -3.650 -0.079 -5.588 1.00 63.23 H new ATOM 0 HE1 HIS A 89 -6.751 -0.027 -2.694 1.00 74.01 H new ATOM 0 HE2 HIS A 89 -4.482 0.933 -3.334 1.00 12.20 H new ATOM 1411 N GLN A 90 -5.917 -4.734 -8.518 1.00 42.51 N ATOM 1412 CA GLN A 90 -6.539 -5.363 -9.676 1.00 32.13 C ATOM 1413 C GLN A 90 -6.961 -6.793 -9.358 1.00 63.31 C ATOM 1414 O GLN A 90 -7.167 -7.606 -10.260 1.00 52.32 O ATOM 1415 CB GLN A 90 -5.577 -5.356 -10.865 1.00 11.41 C ATOM 1416 CG GLN A 90 -5.971 -4.379 -11.961 1.00 1.00 C ATOM 1417 CD GLN A 90 -6.469 -5.075 -13.212 1.00 45.01 C ATOM 1418 OE1 GLN A 90 -6.912 -6.223 -13.163 1.00 30.31 O ATOM 1419 NE2 GLN A 90 -6.400 -4.383 -14.343 1.00 3.55 N ATOM 0 H GLN A 90 -4.899 -4.792 -8.502 1.00 42.51 H new ATOM 0 HA GLN A 90 -7.429 -4.790 -9.934 1.00 32.13 H new ATOM 0 HB2 GLN A 90 -4.577 -5.107 -10.511 1.00 11.41 H new ATOM 0 HB3 GLN A 90 -5.526 -6.360 -11.286 1.00 11.41 H new ATOM 0 HG2 GLN A 90 -6.748 -3.713 -11.586 1.00 1.00 H new ATOM 0 HG3 GLN A 90 -5.113 -3.757 -12.213 1.00 1.00 H new ATOM 0 HE21 GLN A 90 -6.026 -3.434 -14.338 1.00 3.55 H new ATOM 0 HE22 GLN A 90 -6.721 -4.800 -15.217 1.00 3.55 H new ATOM 1428 N ARG A 91 -7.089 -7.094 -8.070 1.00 63.41 N ATOM 1429 CA ARG A 91 -7.486 -8.428 -7.633 1.00 52.12 C ATOM 1430 C ARG A 91 -6.468 -9.472 -8.081 1.00 70.31 C ATOM 1431 O ARG A 91 -6.803 -10.644 -8.259 1.00 33.00 O ATOM 1432 CB ARG A 91 -8.869 -8.778 -8.184 1.00 63.32 C ATOM 1433 CG ARG A 91 -9.625 -9.786 -7.334 1.00 23.52 C ATOM 1434 CD ARG A 91 -11.054 -9.334 -7.074 1.00 43.21 C ATOM 1435 NE ARG A 91 -11.662 -10.056 -5.959 1.00 10.44 N ATOM 1436 CZ ARG A 91 -12.858 -9.765 -5.460 1.00 11.23 C ATOM 1437 NH1 ARG A 91 -13.571 -8.772 -5.975 1.00 61.43 N ATOM 1438 NH2 ARG A 91 -13.343 -10.468 -4.445 1.00 41.30 N ATOM 0 H ARG A 91 -6.924 -6.433 -7.311 1.00 63.41 H new ATOM 0 HA ARG A 91 -7.526 -8.429 -6.544 1.00 52.12 H new ATOM 0 HB2 ARG A 91 -9.461 -7.866 -8.264 1.00 63.32 H new ATOM 0 HB3 ARG A 91 -8.759 -9.176 -9.193 1.00 63.32 H new ATOM 0 HG2 ARG A 91 -9.634 -10.753 -7.836 1.00 23.52 H new ATOM 0 HG3 ARG A 91 -9.107 -9.924 -6.385 1.00 23.52 H new ATOM 0 HD2 ARG A 91 -11.063 -8.265 -6.862 1.00 43.21 H new ATOM 0 HD3 ARG A 91 -11.651 -9.486 -7.973 1.00 43.21 H new ATOM 0 HE ARG A 91 -11.139 -10.826 -5.541 1.00 10.44 H new ATOM 0 HH11 ARG A 91 -13.201 -8.230 -6.756 1.00 61.43 H new ATOM 0 HH12 ARG A 91 -14.489 -8.550 -5.590 1.00 61.43 H new ATOM 0 HH21 ARG A 91 -12.797 -11.233 -4.047 1.00 41.30 H new ATOM 0 HH22 ARG A 91 -14.262 -10.244 -4.062 1.00 41.30 H new ATOM 1452 N ILE A 92 -5.224 -9.040 -8.264 1.00 44.03 N ATOM 1453 CA ILE A 92 -4.158 -9.938 -8.690 1.00 4.44 C ATOM 1454 C ILE A 92 -3.394 -10.492 -7.493 1.00 5.24 C ATOM 1455 O ILE A 92 -2.765 -9.744 -6.745 1.00 22.12 O ATOM 1456 CB ILE A 92 -3.169 -9.227 -9.633 1.00 60.45 C ATOM 1457 CG1 ILE A 92 -3.926 -8.465 -10.722 1.00 35.03 C ATOM 1458 CG2 ILE A 92 -2.211 -10.234 -10.251 1.00 10.12 C ATOM 1459 CD1 ILE A 92 -3.023 -7.685 -11.653 1.00 60.31 C ATOM 0 H ILE A 92 -4.930 -8.073 -8.124 1.00 44.03 H new ATOM 0 HA ILE A 92 -4.632 -10.760 -9.226 1.00 4.44 H new ATOM 0 HB ILE A 92 -2.588 -8.510 -9.053 1.00 60.45 H new ATOM 0 HG12 ILE A 92 -4.514 -9.172 -11.307 1.00 35.03 H new ATOM 0 HG13 ILE A 92 -4.630 -7.778 -10.251 1.00 35.03 H new ATOM 0 HG21 ILE A 92 -1.518 -9.717 -10.915 1.00 10.12 H new ATOM 0 HG22 ILE A 92 -1.651 -10.735 -9.462 1.00 10.12 H new ATOM 0 HG23 ILE A 92 -2.776 -10.972 -10.820 1.00 10.12 H new ATOM 0 HD11 ILE A 92 -3.628 -7.170 -12.399 1.00 60.31 H new ATOM 0 HD12 ILE A 92 -2.454 -6.954 -11.079 1.00 60.31 H new ATOM 0 HD13 ILE A 92 -2.336 -8.369 -12.152 1.00 60.31 H new ATOM 1471 N ASP A 93 -3.453 -11.808 -7.320 1.00 12.12 N ATOM 1472 CA ASP A 93 -2.764 -12.465 -6.215 1.00 11.04 C ATOM 1473 C ASP A 93 -1.442 -13.067 -6.680 1.00 12.55 C ATOM 1474 O ASP A 93 -1.415 -13.925 -7.562 1.00 74.34 O ATOM 1475 CB ASP A 93 -3.650 -13.554 -5.610 1.00 72.44 C ATOM 1476 CG ASP A 93 -4.843 -12.985 -4.868 1.00 60.41 C ATOM 1477 OD1 ASP A 93 -4.876 -11.756 -4.654 1.00 64.23 O ATOM 1478 OD2 ASP A 93 -5.743 -13.770 -4.499 1.00 34.43 O ATOM 0 H ASP A 93 -3.970 -12.441 -7.930 1.00 12.12 H new ATOM 0 HA ASP A 93 -2.552 -11.715 -5.453 1.00 11.04 H new ATOM 0 HB2 ASP A 93 -4.001 -14.215 -6.403 1.00 72.44 H new ATOM 0 HB3 ASP A 93 -3.057 -14.162 -4.927 1.00 72.44 H new ATOM 1483 N VAL A 94 -0.346 -12.608 -6.083 1.00 30.10 N ATOM 1484 CA VAL A 94 0.980 -13.101 -6.436 1.00 1.22 C ATOM 1485 C VAL A 94 1.508 -14.063 -5.378 1.00 75.22 C ATOM 1486 O VAL A 94 0.938 -14.185 -4.293 1.00 32.42 O ATOM 1487 CB VAL A 94 1.982 -11.944 -6.607 1.00 53.21 C ATOM 1488 CG1 VAL A 94 1.557 -11.034 -7.751 1.00 71.44 C ATOM 1489 CG2 VAL A 94 2.114 -11.157 -5.311 1.00 60.51 C ATOM 0 H VAL A 94 -0.351 -11.896 -5.353 1.00 30.10 H new ATOM 0 HA VAL A 94 0.879 -13.628 -7.385 1.00 1.22 H new ATOM 0 HB VAL A 94 2.957 -12.365 -6.851 1.00 53.21 H new ATOM 0 HG11 VAL A 94 2.277 -10.222 -7.857 1.00 71.44 H new ATOM 0 HG12 VAL A 94 1.518 -11.608 -8.677 1.00 71.44 H new ATOM 0 HG13 VAL A 94 0.571 -10.620 -7.539 1.00 71.44 H new ATOM 0 HG21 VAL A 94 2.826 -10.343 -5.450 1.00 60.51 H new ATOM 0 HG22 VAL A 94 1.143 -10.746 -5.034 1.00 60.51 H new ATOM 0 HG23 VAL A 94 2.468 -11.817 -4.519 1.00 60.51 H new ATOM 1499 N LYS A 95 2.602 -14.746 -5.700 1.00 54.44 N ATOM 1500 CA LYS A 95 3.210 -15.697 -4.778 1.00 63.44 C ATOM 1501 C LYS A 95 4.332 -15.040 -3.980 1.00 55.10 C ATOM 1502 O LYS A 95 4.860 -15.627 -3.035 1.00 55.33 O ATOM 1503 CB LYS A 95 3.755 -16.905 -5.544 1.00 40.24 C ATOM 1504 CG LYS A 95 3.409 -18.238 -4.902 1.00 30.45 C ATOM 1505 CD LYS A 95 2.302 -18.951 -5.661 1.00 51.05 C ATOM 1506 CE LYS A 95 2.374 -20.458 -5.465 1.00 15.31 C ATOM 1507 NZ LYS A 95 2.680 -21.167 -6.739 1.00 62.43 N ATOM 0 H LYS A 95 3.086 -14.658 -6.594 1.00 54.44 H new ATOM 0 HA LYS A 95 2.441 -16.032 -4.082 1.00 63.44 H new ATOM 0 HB2 LYS A 95 3.362 -16.888 -6.561 1.00 40.24 H new ATOM 0 HB3 LYS A 95 4.839 -16.818 -5.620 1.00 40.24 H new ATOM 0 HG2 LYS A 95 4.297 -18.870 -4.872 1.00 30.45 H new ATOM 0 HG3 LYS A 95 3.098 -18.076 -3.870 1.00 30.45 H new ATOM 0 HD2 LYS A 95 1.333 -18.585 -5.322 1.00 51.05 H new ATOM 0 HD3 LYS A 95 2.378 -18.717 -6.723 1.00 51.05 H new ATOM 0 HE2 LYS A 95 3.140 -20.692 -4.726 1.00 15.31 H new ATOM 0 HE3 LYS A 95 1.426 -20.819 -5.067 1.00 15.31 H new ATOM 0 HZ1 LYS A 95 2.721 -22.192 -6.565 1.00 62.43 H new ATOM 0 HZ2 LYS A 95 1.936 -20.964 -7.437 1.00 62.43 H new ATOM 0 HZ3 LYS A 95 3.597 -20.841 -7.106 1.00 62.43 H new ATOM 1521 N ASP A 96 4.690 -13.820 -4.365 1.00 31.42 N ATOM 1522 CA ASP A 96 5.747 -13.083 -3.684 1.00 41.45 C ATOM 1523 C ASP A 96 6.018 -11.753 -4.380 1.00 10.32 C ATOM 1524 O ASP A 96 5.366 -11.412 -5.368 1.00 31.12 O ATOM 1525 CB ASP A 96 7.029 -13.916 -3.633 1.00 20.11 C ATOM 1526 CG ASP A 96 7.195 -14.798 -4.856 1.00 52.42 C ATOM 1527 OD1 ASP A 96 7.182 -14.258 -5.982 1.00 53.21 O ATOM 1528 OD2 ASP A 96 7.338 -16.026 -4.685 1.00 32.14 O ATOM 0 H ASP A 96 4.263 -13.321 -5.145 1.00 31.42 H new ATOM 0 HA ASP A 96 5.415 -12.879 -2.666 1.00 41.45 H new ATOM 0 HB2 ASP A 96 7.888 -13.251 -3.549 1.00 20.11 H new ATOM 0 HB3 ASP A 96 7.019 -14.538 -2.738 1.00 20.11 H new ATOM 1533 N THR A 97 6.983 -11.003 -3.858 1.00 14.41 N ATOM 1534 CA THR A 97 7.338 -9.709 -4.427 1.00 33.14 C ATOM 1535 C THR A 97 7.988 -9.870 -5.797 1.00 73.53 C ATOM 1536 O THR A 97 8.219 -8.891 -6.506 1.00 12.23 O ATOM 1537 CB THR A 97 8.297 -8.933 -3.505 1.00 33.25 C ATOM 1538 OG1 THR A 97 7.741 -8.837 -2.189 1.00 61.52 O ATOM 1539 CG2 THR A 97 8.563 -7.539 -4.051 1.00 13.33 C ATOM 0 H THR A 97 7.533 -11.270 -3.041 1.00 14.41 H new ATOM 0 HA THR A 97 6.411 -9.145 -4.531 1.00 33.14 H new ATOM 0 HB THR A 97 9.242 -9.475 -3.461 1.00 33.25 H new ATOM 0 HG1 THR A 97 7.403 -7.929 -2.042 1.00 61.52 H new ATOM 0 HG21 THR A 97 9.243 -7.010 -3.383 1.00 13.33 H new ATOM 0 HG22 THR A 97 9.013 -7.616 -5.041 1.00 13.33 H new ATOM 0 HG23 THR A 97 7.624 -6.990 -4.121 1.00 13.33 H new ATOM 1547 N LYS A 98 8.281 -11.113 -6.164 1.00 20.34 N ATOM 1548 CA LYS A 98 8.904 -11.406 -7.450 1.00 4.13 C ATOM 1549 C LYS A 98 7.851 -11.540 -8.546 1.00 23.40 C ATOM 1550 O LYS A 98 7.869 -10.803 -9.530 1.00 21.43 O ATOM 1551 CB LYS A 98 9.730 -12.691 -7.361 1.00 42.24 C ATOM 1552 CG LYS A 98 10.243 -13.178 -8.704 1.00 35.21 C ATOM 1553 CD LYS A 98 11.279 -14.277 -8.539 1.00 34.42 C ATOM 1554 CE LYS A 98 12.046 -14.518 -9.830 1.00 35.42 C ATOM 1555 NZ LYS A 98 11.482 -15.657 -10.606 1.00 5.35 N ATOM 0 H LYS A 98 8.097 -11.935 -5.588 1.00 20.34 H new ATOM 0 HA LYS A 98 9.564 -10.576 -7.703 1.00 4.13 H new ATOM 0 HB2 LYS A 98 10.578 -12.523 -6.697 1.00 42.24 H new ATOM 0 HB3 LYS A 98 9.121 -13.474 -6.909 1.00 42.24 H new ATOM 0 HG2 LYS A 98 9.409 -13.549 -9.300 1.00 35.21 H new ATOM 0 HG3 LYS A 98 10.680 -12.343 -9.252 1.00 35.21 H new ATOM 0 HD2 LYS A 98 11.976 -14.006 -7.746 1.00 34.42 H new ATOM 0 HD3 LYS A 98 10.787 -15.199 -8.229 1.00 34.42 H new ATOM 0 HE2 LYS A 98 12.022 -13.615 -10.441 1.00 35.42 H new ATOM 0 HE3 LYS A 98 13.092 -14.719 -9.599 1.00 35.42 H new ATOM 0 HZ1 LYS A 98 12.032 -15.789 -11.479 1.00 5.35 H new ATOM 0 HZ2 LYS A 98 11.528 -16.524 -10.033 1.00 5.35 H new ATOM 0 HZ3 LYS A 98 10.491 -15.455 -10.849 1.00 5.35 H new ATOM 1569 N GLU A 99 6.934 -12.487 -8.366 1.00 64.31 N ATOM 1570 CA GLU A 99 5.873 -12.717 -9.339 1.00 33.34 C ATOM 1571 C GLU A 99 4.984 -11.484 -9.477 1.00 34.10 C ATOM 1572 O GLU A 99 4.209 -11.368 -10.425 1.00 20.14 O ATOM 1573 CB GLU A 99 5.029 -13.926 -8.931 1.00 1.32 C ATOM 1574 CG GLU A 99 5.499 -15.233 -9.548 1.00 3.30 C ATOM 1575 CD GLU A 99 4.369 -16.013 -10.190 1.00 63.43 C ATOM 1576 OE1 GLU A 99 3.210 -15.849 -9.755 1.00 41.25 O ATOM 1577 OE2 GLU A 99 4.643 -16.789 -11.130 1.00 61.42 O ATOM 0 H GLU A 99 6.905 -13.106 -7.556 1.00 64.31 H new ATOM 0 HA GLU A 99 6.338 -12.918 -10.304 1.00 33.34 H new ATOM 0 HB2 GLU A 99 5.045 -14.020 -7.845 1.00 1.32 H new ATOM 0 HB3 GLU A 99 3.993 -13.749 -9.220 1.00 1.32 H new ATOM 0 HG2 GLU A 99 6.262 -15.023 -10.297 1.00 3.30 H new ATOM 0 HG3 GLU A 99 5.968 -15.846 -8.778 1.00 3.30 H new ATOM 1584 N ALA A 100 5.103 -10.568 -8.522 1.00 2.22 N ATOM 1585 CA ALA A 100 4.312 -9.343 -8.537 1.00 64.32 C ATOM 1586 C ALA A 100 4.994 -8.258 -9.362 1.00 32.13 C ATOM 1587 O ALA A 100 4.356 -7.590 -10.178 1.00 0.21 O ATOM 1588 CB ALA A 100 4.069 -8.854 -7.117 1.00 62.33 C ATOM 0 H ALA A 100 5.739 -10.650 -7.729 1.00 2.22 H new ATOM 0 HA ALA A 100 3.352 -9.566 -9.002 1.00 64.32 H new ATOM 0 HB1 ALA A 100 3.477 -7.939 -7.144 1.00 62.33 H new ATOM 0 HB2 ALA A 100 3.531 -9.618 -6.556 1.00 62.33 H new ATOM 0 HB3 ALA A 100 5.025 -8.654 -6.632 1.00 62.33 H new ATOM 1594 N LEU A 101 6.294 -8.086 -9.146 1.00 21.24 N ATOM 1595 CA LEU A 101 7.063 -7.081 -9.871 1.00 21.43 C ATOM 1596 C LEU A 101 7.258 -7.490 -11.328 1.00 41.42 C ATOM 1597 O LEU A 101 7.325 -6.641 -12.217 1.00 44.21 O ATOM 1598 CB LEU A 101 8.423 -6.872 -9.201 1.00 11.04 C ATOM 1599 CG LEU A 101 9.170 -5.595 -9.586 1.00 42.55 C ATOM 1600 CD1 LEU A 101 9.735 -5.709 -10.993 1.00 13.54 C ATOM 1601 CD2 LEU A 101 8.253 -4.386 -9.474 1.00 43.51 C ATOM 0 H LEU A 101 6.837 -8.629 -8.475 1.00 21.24 H new ATOM 0 HA LEU A 101 6.505 -6.145 -9.848 1.00 21.43 H new ATOM 0 HB2 LEU A 101 8.278 -6.873 -8.121 1.00 11.04 H new ATOM 0 HB3 LEU A 101 9.058 -7.726 -9.438 1.00 11.04 H new ATOM 0 HG LEU A 101 10.001 -5.461 -8.893 1.00 42.55 H new ATOM 0 HD11 LEU A 101 10.263 -4.790 -11.249 1.00 13.54 H new ATOM 0 HD12 LEU A 101 10.427 -6.550 -11.040 1.00 13.54 H new ATOM 0 HD13 LEU A 101 8.921 -5.868 -11.700 1.00 13.54 H new ATOM 0 HD21 LEU A 101 8.802 -3.486 -9.752 1.00 43.51 H new ATOM 0 HD22 LEU A 101 7.401 -4.512 -10.142 1.00 43.51 H new ATOM 0 HD23 LEU A 101 7.898 -4.292 -8.448 1.00 43.51 H new ATOM 1613 N ASP A 102 7.346 -8.794 -11.564 1.00 21.01 N ATOM 1614 CA ASP A 102 7.529 -9.315 -12.914 1.00 75.24 C ATOM 1615 C ASP A 102 6.222 -9.265 -13.698 1.00 32.21 C ATOM 1616 O ASP A 102 6.203 -8.896 -14.872 1.00 72.40 O ATOM 1617 CB ASP A 102 8.054 -10.751 -12.861 1.00 22.14 C ATOM 1618 CG ASP A 102 9.560 -10.825 -13.019 1.00 42.31 C ATOM 1619 OD1 ASP A 102 10.088 -10.195 -13.959 1.00 33.30 O ATOM 1620 OD2 ASP A 102 10.209 -11.511 -12.202 1.00 14.31 O ATOM 0 H ASP A 102 7.294 -9.509 -10.839 1.00 21.01 H new ATOM 0 HA ASP A 102 8.260 -8.688 -13.424 1.00 75.24 H new ATOM 0 HB2 ASP A 102 7.769 -11.204 -11.911 1.00 22.14 H new ATOM 0 HB3 ASP A 102 7.580 -11.337 -13.649 1.00 22.14 H new ATOM 1625 N LYS A 103 5.129 -9.641 -13.041 1.00 15.22 N ATOM 1626 CA LYS A 103 3.816 -9.639 -13.675 1.00 14.22 C ATOM 1627 C LYS A 103 3.489 -8.262 -14.244 1.00 3.01 C ATOM 1628 O LYS A 103 2.686 -8.138 -15.170 1.00 61.42 O ATOM 1629 CB LYS A 103 2.742 -10.058 -12.670 1.00 43.51 C ATOM 1630 CG LYS A 103 2.422 -11.542 -12.702 1.00 12.12 C ATOM 1631 CD LYS A 103 1.643 -11.917 -13.952 1.00 21.03 C ATOM 1632 CE LYS A 103 2.383 -12.956 -14.780 1.00 4.54 C ATOM 1633 NZ LYS A 103 1.538 -13.492 -15.882 1.00 31.13 N ATOM 0 H LYS A 103 5.127 -9.951 -12.069 1.00 15.22 H new ATOM 0 HA LYS A 103 3.834 -10.356 -14.496 1.00 14.22 H new ATOM 0 HB2 LYS A 103 3.071 -9.788 -11.667 1.00 43.51 H new ATOM 0 HB3 LYS A 103 1.831 -9.494 -12.869 1.00 43.51 H new ATOM 0 HG2 LYS A 103 3.348 -12.116 -12.663 1.00 12.12 H new ATOM 0 HG3 LYS A 103 1.844 -11.810 -11.818 1.00 12.12 H new ATOM 0 HD2 LYS A 103 0.665 -12.305 -13.669 1.00 21.03 H new ATOM 0 HD3 LYS A 103 1.470 -11.026 -14.555 1.00 21.03 H new ATOM 0 HE2 LYS A 103 3.286 -12.511 -15.198 1.00 4.54 H new ATOM 0 HE3 LYS A 103 2.701 -13.775 -14.135 1.00 4.54 H new ATOM 0 HZ1 LYS A 103 2.079 -14.197 -16.423 1.00 31.13 H new ATOM 0 HZ2 LYS A 103 0.689 -13.939 -15.482 1.00 31.13 H new ATOM 0 HZ3 LYS A 103 1.255 -12.715 -16.512 1.00 31.13 H new ATOM 1647 N ILE A 104 4.115 -7.232 -13.685 1.00 64.34 N ATOM 1648 CA ILE A 104 3.890 -5.865 -14.139 1.00 72.53 C ATOM 1649 C ILE A 104 4.972 -5.427 -15.119 1.00 54.40 C ATOM 1650 O ILE A 104 4.685 -4.789 -16.132 1.00 62.24 O ATOM 1651 CB ILE A 104 3.854 -4.878 -12.957 1.00 20.32 C ATOM 1652 CG1 ILE A 104 2.687 -5.208 -12.024 1.00 21.54 C ATOM 1653 CG2 ILE A 104 3.745 -3.448 -13.464 1.00 1.21 C ATOM 1654 CD1 ILE A 104 2.841 -4.631 -10.635 1.00 72.32 C ATOM 0 H ILE A 104 4.781 -7.318 -12.918 1.00 64.34 H new ATOM 0 HA ILE A 104 2.922 -5.854 -14.641 1.00 72.53 H new ATOM 0 HB ILE A 104 4.783 -4.974 -12.395 1.00 20.32 H new ATOM 0 HG12 ILE A 104 1.763 -4.832 -12.464 1.00 21.54 H new ATOM 0 HG13 ILE A 104 2.587 -6.291 -11.950 1.00 21.54 H new ATOM 0 HG21 ILE A 104 3.721 -2.762 -12.617 1.00 1.21 H new ATOM 0 HG22 ILE A 104 4.606 -3.218 -14.092 1.00 1.21 H new ATOM 0 HG23 ILE A 104 2.831 -3.337 -14.047 1.00 1.21 H new ATOM 0 HD11 ILE A 104 1.977 -4.905 -10.029 1.00 72.32 H new ATOM 0 HD12 ILE A 104 3.747 -5.026 -10.175 1.00 72.32 H new ATOM 0 HD13 ILE A 104 2.910 -3.545 -10.698 1.00 72.32 H new ATOM 1666 N GLU A 105 6.218 -5.776 -14.813 1.00 42.22 N ATOM 1667 CA GLU A 105 7.344 -5.419 -15.668 1.00 3.02 C ATOM 1668 C GLU A 105 7.188 -6.033 -17.056 1.00 1.51 C ATOM 1669 O GLU A 105 7.646 -5.469 -18.050 1.00 44.13 O ATOM 1670 CB GLU A 105 8.658 -5.882 -15.038 1.00 74.13 C ATOM 1671 CG GLU A 105 9.863 -5.061 -15.470 1.00 60.34 C ATOM 1672 CD GLU A 105 11.171 -5.810 -15.298 1.00 42.12 C ATOM 1673 OE1 GLU A 105 11.324 -6.886 -15.911 1.00 22.25 O ATOM 1674 OE2 GLU A 105 12.040 -5.317 -14.549 1.00 72.42 O ATOM 0 H GLU A 105 6.473 -6.306 -13.979 1.00 42.22 H new ATOM 0 HA GLU A 105 7.361 -4.334 -15.769 1.00 3.02 H new ATOM 0 HB2 GLU A 105 8.567 -5.835 -13.953 1.00 74.13 H new ATOM 0 HB3 GLU A 105 8.828 -6.927 -15.299 1.00 74.13 H new ATOM 0 HG2 GLU A 105 9.747 -4.775 -16.515 1.00 60.34 H new ATOM 0 HG3 GLU A 105 9.897 -4.139 -14.889 1.00 60.34 H new ATOM 1681 N GLU A 106 6.538 -7.191 -17.115 1.00 34.13 N ATOM 1682 CA GLU A 106 6.323 -7.882 -18.382 1.00 74.25 C ATOM 1683 C GLU A 106 5.241 -7.188 -19.203 1.00 61.30 C ATOM 1684 O GLU A 106 5.419 -6.935 -20.394 1.00 35.12 O ATOM 1685 CB GLU A 106 5.934 -9.340 -18.132 1.00 61.52 C ATOM 1686 CG GLU A 106 6.888 -10.342 -18.760 1.00 1.35 C ATOM 1687 CD GLU A 106 6.166 -11.476 -19.461 1.00 64.32 C ATOM 1688 OE1 GLU A 106 5.553 -12.312 -18.762 1.00 15.52 O ATOM 1689 OE2 GLU A 106 6.213 -11.529 -20.707 1.00 1.31 O ATOM 0 H GLU A 106 6.151 -7.670 -16.302 1.00 34.13 H new ATOM 0 HA GLU A 106 7.255 -7.854 -18.946 1.00 74.25 H new ATOM 0 HB2 GLU A 106 5.891 -9.516 -17.057 1.00 61.52 H new ATOM 0 HB3 GLU A 106 4.931 -9.512 -18.523 1.00 61.52 H new ATOM 0 HG2 GLU A 106 7.530 -9.828 -19.476 1.00 1.35 H new ATOM 0 HG3 GLU A 106 7.538 -10.753 -17.987 1.00 1.35 H new ATOM 1696 N GLU A 107 4.120 -6.885 -18.558 1.00 44.53 N ATOM 1697 CA GLU A 107 3.008 -6.221 -19.228 1.00 22.25 C ATOM 1698 C GLU A 107 3.444 -4.877 -19.804 1.00 13.25 C ATOM 1699 O GLU A 107 2.877 -4.398 -20.786 1.00 12.03 O ATOM 1700 CB GLU A 107 1.844 -6.019 -18.257 1.00 1.51 C ATOM 1701 CG GLU A 107 0.619 -6.854 -18.592 1.00 61.23 C ATOM 1702 CD GLU A 107 0.794 -8.316 -18.231 1.00 3.15 C ATOM 1703 OE1 GLU A 107 1.808 -8.651 -17.584 1.00 22.11 O ATOM 1704 OE2 GLU A 107 -0.085 -9.126 -18.596 1.00 12.13 O ATOM 0 H GLU A 107 3.957 -7.089 -17.572 1.00 44.53 H new ATOM 0 HA GLU A 107 2.679 -6.859 -20.048 1.00 22.25 H new ATOM 0 HB2 GLU A 107 2.176 -6.265 -17.249 1.00 1.51 H new ATOM 0 HB3 GLU A 107 1.565 -4.965 -18.252 1.00 1.51 H new ATOM 0 HG2 GLU A 107 -0.245 -6.454 -18.062 1.00 61.23 H new ATOM 0 HG3 GLU A 107 0.407 -6.770 -19.658 1.00 61.23 H new ATOM 1711 N GLN A 108 4.453 -4.274 -19.185 1.00 41.23 N ATOM 1712 CA GLN A 108 4.964 -2.984 -19.634 1.00 31.31 C ATOM 1713 C GLN A 108 6.397 -3.113 -20.141 1.00 51.34 C ATOM 1714 O GLN A 108 7.162 -2.149 -20.121 1.00 44.34 O ATOM 1715 CB GLN A 108 4.902 -1.963 -18.497 1.00 51.24 C ATOM 1716 CG GLN A 108 3.487 -1.559 -18.118 1.00 20.44 C ATOM 1717 CD GLN A 108 3.165 -0.129 -18.505 1.00 43.02 C ATOM 1718 OE1 GLN A 108 4.034 0.743 -18.483 1.00 21.01 O ATOM 1719 NE2 GLN A 108 1.910 0.120 -18.861 1.00 10.25 N ATOM 0 H GLN A 108 4.933 -4.658 -18.371 1.00 41.23 H new ATOM 0 HA GLN A 108 4.337 -2.639 -20.456 1.00 31.31 H new ATOM 0 HB2 GLN A 108 5.400 -2.378 -17.620 1.00 51.24 H new ATOM 0 HB3 GLN A 108 5.459 -1.073 -18.789 1.00 51.24 H new ATOM 0 HG2 GLN A 108 2.779 -2.231 -18.603 1.00 20.44 H new ATOM 0 HG3 GLN A 108 3.355 -1.679 -17.043 1.00 20.44 H new ATOM 0 HE21 GLN A 108 1.222 -0.633 -18.865 1.00 10.25 H new ATOM 0 HE22 GLN A 108 1.634 1.064 -19.130 1.00 10.25 H new ATOM 1728 N ASN A 109 6.754 -4.311 -20.592 1.00 13.04 N ATOM 1729 CA ASN A 109 8.096 -4.565 -21.103 1.00 30.21 C ATOM 1730 C ASN A 109 8.303 -3.886 -22.454 1.00 42.44 C ATOM 1731 O ASN A 109 9.394 -3.403 -22.759 1.00 44.35 O ATOM 1732 CB ASN A 109 8.337 -6.071 -21.235 1.00 31.21 C ATOM 1733 CG ASN A 109 9.812 -6.421 -21.260 1.00 12.10 C ATOM 1734 OD1 ASN A 109 10.395 -6.628 -22.325 1.00 50.24 O ATOM 1735 ND2 ASN A 109 10.424 -6.487 -20.084 1.00 62.41 N ATOM 0 H ASN A 109 6.134 -5.120 -20.614 1.00 13.04 H new ATOM 0 HA ASN A 109 8.812 -4.149 -20.394 1.00 30.21 H new ATOM 0 HB2 ASN A 109 7.858 -6.587 -20.403 1.00 31.21 H new ATOM 0 HB3 ASN A 109 7.865 -6.433 -22.148 1.00 31.21 H new ATOM 0 HD21 ASN A 109 11.417 -6.717 -20.038 1.00 62.41 H new ATOM 0 HD22 ASN A 109 9.902 -6.308 -19.226 1.00 62.41 H new ATOM 1742 N LYS A 110 7.247 -3.851 -23.260 1.00 72.53 N ATOM 1743 CA LYS A 110 7.311 -3.230 -24.578 1.00 43.54 C ATOM 1744 C LYS A 110 7.553 -1.729 -24.460 1.00 44.24 C ATOM 1745 O LYS A 110 8.093 -1.103 -25.372 1.00 23.41 O ATOM 1746 CB LYS A 110 6.014 -3.488 -25.349 1.00 72.44 C ATOM 1747 CG LYS A 110 5.603 -4.950 -25.374 1.00 74.31 C ATOM 1748 CD LYS A 110 6.643 -5.810 -26.075 1.00 44.34 C ATOM 1749 CE LYS A 110 6.647 -5.565 -27.576 1.00 21.22 C ATOM 1750 NZ LYS A 110 7.456 -6.584 -28.302 1.00 43.20 N ATOM 0 H LYS A 110 6.337 -4.245 -23.024 1.00 72.53 H new ATOM 0 HA LYS A 110 8.145 -3.674 -25.122 1.00 43.54 H new ATOM 0 HB2 LYS A 110 5.212 -2.901 -24.901 1.00 72.44 H new ATOM 0 HB3 LYS A 110 6.134 -3.135 -26.373 1.00 72.44 H new ATOM 0 HG2 LYS A 110 5.462 -5.307 -24.354 1.00 74.31 H new ATOM 0 HG3 LYS A 110 4.644 -5.051 -25.882 1.00 74.31 H new ATOM 0 HD2 LYS A 110 7.630 -5.594 -25.667 1.00 44.34 H new ATOM 0 HD3 LYS A 110 6.440 -6.862 -25.877 1.00 44.34 H new ATOM 0 HE2 LYS A 110 5.623 -5.581 -27.949 1.00 21.22 H new ATOM 0 HE3 LYS A 110 7.046 -4.571 -27.781 1.00 21.22 H new ATOM 0 HZ1 LYS A 110 7.434 -6.382 -29.322 1.00 43.20 H new ATOM 0 HZ2 LYS A 110 8.439 -6.552 -27.964 1.00 43.20 H new ATOM 0 HZ3 LYS A 110 7.061 -7.530 -28.127 1.00 43.20 H new ATOM 1764 N SER A 111 7.151 -1.156 -23.329 1.00 54.42 N ATOM 1765 CA SER A 111 7.323 0.273 -23.093 1.00 32.30 C ATOM 1766 C SER A 111 8.556 0.538 -22.233 1.00 23.42 C ATOM 1767 O SER A 111 8.601 1.506 -21.474 1.00 73.31 O ATOM 1768 CB SER A 111 6.080 0.852 -22.415 1.00 13.43 C ATOM 1769 OG SER A 111 5.065 1.132 -23.364 1.00 31.43 O ATOM 0 H SER A 111 6.704 -1.659 -22.563 1.00 54.42 H new ATOM 0 HA SER A 111 7.463 0.761 -24.057 1.00 32.30 H new ATOM 0 HB2 SER A 111 5.704 0.147 -21.674 1.00 13.43 H new ATOM 0 HB3 SER A 111 6.345 1.765 -21.881 1.00 13.43 H new ATOM 0 HG SER A 111 4.281 1.499 -22.905 1.00 31.43 H new ATOM 1775 N LYS A 112 9.554 -0.331 -22.357 1.00 24.33 N ATOM 1776 CA LYS A 112 10.787 -0.194 -21.594 1.00 52.25 C ATOM 1777 C LYS A 112 11.984 -0.013 -22.522 1.00 73.23 C ATOM 1778 O LYS A 112 12.869 0.803 -22.262 1.00 71.31 O ATOM 1779 CB LYS A 112 11.000 -1.420 -20.703 1.00 13.11 C ATOM 1780 CG LYS A 112 11.407 -1.074 -19.280 1.00 21.42 C ATOM 1781 CD LYS A 112 12.857 -1.439 -19.012 1.00 11.12 C ATOM 1782 CE LYS A 112 13.072 -1.840 -17.560 1.00 24.44 C ATOM 1783 NZ LYS A 112 13.974 -3.019 -17.438 1.00 54.51 N ATOM 0 H LYS A 112 9.532 -1.138 -22.980 1.00 24.33 H new ATOM 0 HA LYS A 112 10.699 0.693 -20.966 1.00 52.25 H new ATOM 0 HB2 LYS A 112 10.080 -2.004 -20.677 1.00 13.11 H new ATOM 0 HB3 LYS A 112 11.768 -2.053 -21.148 1.00 13.11 H new ATOM 0 HG2 LYS A 112 11.261 -0.008 -19.108 1.00 21.42 H new ATOM 0 HG3 LYS A 112 10.762 -1.602 -18.577 1.00 21.42 H new ATOM 0 HD2 LYS A 112 13.153 -2.260 -19.665 1.00 11.12 H new ATOM 0 HD3 LYS A 112 13.498 -0.591 -19.255 1.00 11.12 H new ATOM 0 HE2 LYS A 112 13.496 -1.000 -17.010 1.00 24.44 H new ATOM 0 HE3 LYS A 112 12.111 -2.069 -17.100 1.00 24.44 H new ATOM 0 HZ1 LYS A 112 14.095 -3.261 -16.434 1.00 54.51 H new ATOM 0 HZ2 LYS A 112 13.558 -3.828 -17.941 1.00 54.51 H new ATOM 0 HZ3 LYS A 112 14.900 -2.792 -17.854 1.00 54.51 H new ATOM 1797 N LYS A 113 12.006 -0.780 -23.607 1.00 34.24 N ATOM 1798 CA LYS A 113 13.092 -0.704 -24.577 1.00 53.41 C ATOM 1799 C LYS A 113 12.945 0.528 -25.464 1.00 4.53 C ATOM 1800 O LYS A 113 13.928 1.046 -25.994 1.00 2.41 O ATOM 1801 CB LYS A 113 13.123 -1.967 -25.441 1.00 5.22 C ATOM 1802 CG LYS A 113 11.831 -2.213 -26.203 1.00 51.34 C ATOM 1803 CD LYS A 113 11.296 -3.613 -25.952 1.00 3.13 C ATOM 1804 CE LYS A 113 11.867 -4.613 -26.946 1.00 31.32 C ATOM 1805 NZ LYS A 113 12.920 -5.467 -26.331 1.00 72.34 N ATOM 0 H LYS A 113 11.283 -1.462 -23.837 1.00 34.24 H new ATOM 0 HA LYS A 113 14.030 -0.625 -24.028 1.00 53.41 H new ATOM 0 HB2 LYS A 113 13.946 -1.891 -26.152 1.00 5.22 H new ATOM 0 HB3 LYS A 113 13.330 -2.828 -24.805 1.00 5.22 H new ATOM 0 HG2 LYS A 113 11.084 -1.478 -25.903 1.00 51.34 H new ATOM 0 HG3 LYS A 113 12.004 -2.074 -27.270 1.00 51.34 H new ATOM 0 HD2 LYS A 113 11.546 -3.923 -24.937 1.00 3.13 H new ATOM 0 HD3 LYS A 113 10.208 -3.607 -26.024 1.00 3.13 H new ATOM 0 HE2 LYS A 113 11.065 -5.244 -27.328 1.00 31.32 H new ATOM 0 HE3 LYS A 113 12.285 -4.079 -27.799 1.00 31.32 H new ATOM 0 HZ1 LYS A 113 13.284 -6.135 -27.041 1.00 72.34 H new ATOM 0 HZ2 LYS A 113 13.698 -4.867 -25.989 1.00 72.34 H new ATOM 0 HZ3 LYS A 113 12.515 -5.997 -25.533 1.00 72.34 H new ATOM 1819 N LYS A 114 11.710 0.994 -25.621 1.00 40.52 N ATOM 1820 CA LYS A 114 11.433 2.167 -26.441 1.00 12.32 C ATOM 1821 C LYS A 114 11.304 3.417 -25.577 1.00 12.45 C ATOM 1822 O LYS A 114 10.581 4.351 -25.924 1.00 54.41 O ATOM 1823 CB LYS A 114 10.150 1.959 -27.250 1.00 60.33 C ATOM 1824 CG LYS A 114 10.352 1.134 -28.509 1.00 14.32 C ATOM 1825 CD LYS A 114 10.549 2.019 -29.728 1.00 14.04 C ATOM 1826 CE LYS A 114 11.571 1.428 -30.688 1.00 51.03 C ATOM 1827 NZ LYS A 114 11.057 1.376 -32.084 1.00 4.13 N ATOM 0 H LYS A 114 10.885 0.576 -25.191 1.00 40.52 H new ATOM 0 HA LYS A 114 12.269 2.305 -27.127 1.00 12.32 H new ATOM 0 HB2 LYS A 114 9.408 1.469 -26.619 1.00 60.33 H new ATOM 0 HB3 LYS A 114 9.742 2.932 -27.525 1.00 60.33 H new ATOM 0 HG2 LYS A 114 11.219 0.485 -28.385 1.00 14.32 H new ATOM 0 HG3 LYS A 114 9.489 0.487 -28.664 1.00 14.32 H new ATOM 0 HD2 LYS A 114 9.597 2.148 -30.243 1.00 14.04 H new ATOM 0 HD3 LYS A 114 10.876 3.009 -29.411 1.00 14.04 H new ATOM 0 HE2 LYS A 114 12.483 2.024 -30.659 1.00 51.03 H new ATOM 0 HE3 LYS A 114 11.837 0.423 -30.361 1.00 51.03 H new ATOM 0 HZ1 LYS A 114 11.783 0.967 -32.706 1.00 4.13 H new ATOM 0 HZ2 LYS A 114 10.201 0.786 -32.117 1.00 4.13 H new ATOM 0 HZ3 LYS A 114 10.827 2.338 -32.405 1.00 4.13 H new ATOM 1841 N ALA A 115 12.011 3.429 -24.451 1.00 21.03 N ATOM 1842 CA ALA A 115 11.977 4.566 -23.540 1.00 1.11 C ATOM 1843 C ALA A 115 13.286 4.689 -22.768 1.00 55.41 C ATOM 1844 O ALA A 115 13.291 5.049 -21.591 1.00 31.50 O ATOM 1845 CB ALA A 115 10.805 4.437 -22.579 1.00 51.31 C ATOM 0 H ALA A 115 12.614 2.664 -24.148 1.00 21.03 H new ATOM 0 HA ALA A 115 11.848 5.472 -24.132 1.00 1.11 H new ATOM 0 HB1 ALA A 115 10.792 5.293 -21.904 1.00 51.31 H new ATOM 0 HB2 ALA A 115 9.873 4.406 -23.144 1.00 51.31 H new ATOM 0 HB3 ALA A 115 10.909 3.520 -21.999 1.00 51.31 H new ATOM 1851 N GLN A 116 14.394 4.387 -23.438 1.00 4.21 N ATOM 1852 CA GLN A 116 15.709 4.464 -22.812 1.00 20.43 C ATOM 1853 C GLN A 116 16.639 5.373 -23.609 1.00 3.33 C ATOM 1854 O GLN A 116 17.793 5.029 -23.860 1.00 11.12 O ATOM 1855 CB GLN A 116 16.323 3.067 -22.694 1.00 25.33 C ATOM 1856 CG GLN A 116 16.502 2.366 -24.031 1.00 44.43 C ATOM 1857 CD GLN A 116 17.960 2.146 -24.383 1.00 60.22 C ATOM 1858 OE1 GLN A 116 18.700 1.502 -23.638 1.00 14.51 O ATOM 1859 NE2 GLN A 116 18.381 2.679 -25.523 1.00 11.44 N ATOM 0 H GLN A 116 14.407 4.087 -24.413 1.00 4.21 H new ATOM 0 HA GLN A 116 15.584 4.885 -21.815 1.00 20.43 H new ATOM 0 HB2 GLN A 116 17.292 3.146 -22.202 1.00 25.33 H new ATOM 0 HB3 GLN A 116 15.689 2.454 -22.054 1.00 25.33 H new ATOM 0 HG2 GLN A 116 15.989 1.404 -24.004 1.00 44.43 H new ATOM 0 HG3 GLN A 116 16.028 2.958 -24.814 1.00 44.43 H new ATOM 0 HE21 GLN A 116 17.733 3.205 -26.110 1.00 11.44 H new ATOM 0 HE22 GLN A 116 19.352 2.563 -25.812 1.00 11.44 H new ATOM 1868 N GLN A 117 16.127 6.535 -24.002 1.00 10.45 N ATOM 1869 CA GLN A 117 16.912 7.494 -24.771 1.00 4.22 C ATOM 1870 C GLN A 117 17.715 8.404 -23.848 1.00 30.21 C ATOM 1871 O GLN A 117 18.787 8.886 -24.215 1.00 42.33 O ATOM 1872 CB GLN A 117 15.997 8.333 -25.665 1.00 14.24 C ATOM 1873 CG GLN A 117 16.747 9.151 -26.705 1.00 21.42 C ATOM 1874 CD GLN A 117 16.128 10.515 -26.932 1.00 1.45 C ATOM 1875 OE1 GLN A 117 16.826 11.529 -26.960 1.00 11.23 O ATOM 1876 NE2 GLN A 117 14.810 10.549 -27.095 1.00 21.02 N ATOM 0 H GLN A 117 15.173 6.835 -23.801 1.00 10.45 H new ATOM 0 HA GLN A 117 17.609 6.937 -25.397 1.00 4.22 H new ATOM 0 HB2 GLN A 117 15.293 7.673 -26.172 1.00 14.24 H new ATOM 0 HB3 GLN A 117 15.409 9.006 -25.040 1.00 14.24 H new ATOM 0 HG2 GLN A 117 17.782 9.274 -26.387 1.00 21.42 H new ATOM 0 HG3 GLN A 117 16.766 8.604 -27.647 1.00 21.42 H new ATOM 0 HE21 GLN A 117 14.270 9.684 -27.064 1.00 21.02 H new ATOM 0 HE22 GLN A 117 14.338 11.440 -27.251 1.00 21.02 H new ATOM 1885 N ALA A 118 17.190 8.635 -22.650 1.00 53.04 N ATOM 1886 CA ALA A 118 17.859 9.486 -21.674 1.00 54.12 C ATOM 1887 C ALA A 118 19.087 8.793 -21.091 1.00 62.21 C ATOM 1888 O ALA A 118 20.037 9.448 -20.665 1.00 34.44 O ATOM 1889 CB ALA A 118 16.895 9.877 -20.564 1.00 62.45 C ATOM 0 H ALA A 118 16.303 8.245 -22.332 1.00 53.04 H new ATOM 0 HA ALA A 118 18.192 10.389 -22.185 1.00 54.12 H new ATOM 0 HB1 ALA A 118 17.409 10.512 -19.843 1.00 62.45 H new ATOM 0 HB2 ALA A 118 16.051 10.420 -20.990 1.00 62.45 H new ATOM 0 HB3 ALA A 118 16.533 8.979 -20.063 1.00 62.45 H new ATOM 1895 N ALA A 119 19.057 7.464 -21.073 1.00 11.25 N ATOM 1896 CA ALA A 119 20.168 6.682 -20.545 1.00 52.32 C ATOM 1897 C ALA A 119 21.050 6.151 -21.669 1.00 34.31 C ATOM 1898 O ALA A 119 21.533 5.020 -21.610 1.00 3.12 O ATOM 1899 CB ALA A 119 19.647 5.535 -19.692 1.00 43.22 C ATOM 0 H ALA A 119 18.275 6.907 -21.418 1.00 11.25 H new ATOM 0 HA ALA A 119 20.777 7.337 -19.921 1.00 52.32 H new ATOM 0 HB1 ALA A 119 20.487 4.959 -19.304 1.00 43.22 H new ATOM 0 HB2 ALA A 119 19.066 5.934 -18.861 1.00 43.22 H new ATOM 0 HB3 ALA A 119 19.014 4.888 -20.299 1.00 43.22 H new ATOM 1905 N ALA A 120 21.256 6.972 -22.693 1.00 40.35 N ATOM 1906 CA ALA A 120 22.081 6.585 -23.830 1.00 72.22 C ATOM 1907 C ALA A 120 23.349 7.429 -23.902 1.00 13.34 C ATOM 1908 O ALA A 120 24.429 6.921 -24.203 1.00 44.11 O ATOM 1909 CB ALA A 120 21.289 6.706 -25.123 1.00 64.33 C ATOM 0 H ALA A 120 20.862 7.911 -22.758 1.00 40.35 H new ATOM 0 HA ALA A 120 22.377 5.545 -23.695 1.00 72.22 H new ATOM 0 HB1 ALA A 120 21.918 6.414 -25.964 1.00 64.33 H new ATOM 0 HB2 ALA A 120 20.417 6.053 -25.078 1.00 64.33 H new ATOM 0 HB3 ALA A 120 20.963 7.738 -25.255 1.00 64.33 H new ATOM 1915 N ASP A 121 23.209 8.722 -23.626 1.00 32.33 N ATOM 1916 CA ASP A 121 24.344 9.637 -23.660 1.00 4.45 C ATOM 1917 C ASP A 121 25.204 9.484 -22.409 1.00 5.21 C ATOM 1918 O ASP A 121 25.251 10.376 -21.562 1.00 61.25 O ATOM 1919 CB ASP A 121 23.856 11.082 -23.785 1.00 33.11 C ATOM 1920 CG ASP A 121 23.552 11.468 -25.219 1.00 4.15 C ATOM 1921 OD1 ASP A 121 23.308 10.559 -26.039 1.00 61.14 O ATOM 1922 OD2 ASP A 121 23.558 12.680 -25.522 1.00 11.41 O ATOM 0 H ASP A 121 22.322 9.159 -23.377 1.00 32.33 H new ATOM 0 HA ASP A 121 24.953 9.390 -24.529 1.00 4.45 H new ATOM 0 HB2 ASP A 121 22.960 11.214 -23.179 1.00 33.11 H new ATOM 0 HB3 ASP A 121 24.614 11.755 -23.384 1.00 33.11 H new ATOM 1927 N THR A 122 25.882 8.346 -22.300 1.00 42.10 N ATOM 1928 CA THR A 122 26.738 8.074 -21.152 1.00 43.45 C ATOM 1929 C THR A 122 28.212 8.187 -21.526 1.00 24.23 C ATOM 1930 O THR A 122 28.612 7.813 -22.628 1.00 55.12 O ATOM 1931 CB THR A 122 26.472 6.672 -20.572 1.00 35.30 C ATOM 1932 OG1 THR A 122 26.578 5.687 -21.606 1.00 64.21 O ATOM 1933 CG2 THR A 122 25.093 6.602 -19.936 1.00 23.21 C ATOM 0 H THR A 122 25.855 7.598 -22.993 1.00 42.10 H new ATOM 0 HA THR A 122 26.500 8.822 -20.396 1.00 43.45 H new ATOM 0 HB THR A 122 27.218 6.473 -19.803 1.00 35.30 H new ATOM 0 HG1 THR A 122 26.409 4.798 -21.230 1.00 64.21 H new ATOM 0 HG21 THR A 122 24.928 5.602 -19.534 1.00 23.21 H new ATOM 0 HG22 THR A 122 25.026 7.333 -19.130 1.00 23.21 H new ATOM 0 HG23 THR A 122 24.334 6.820 -20.688 1.00 23.21 H new ATOM 1941 N GLY A 123 29.014 8.704 -20.601 1.00 72.20 N ATOM 1942 CA GLY A 123 30.436 8.856 -20.854 1.00 31.51 C ATOM 1943 C GLY A 123 31.264 8.745 -19.590 1.00 20.20 C ATOM 1944 O GLY A 123 31.428 9.720 -18.859 1.00 43.41 O ATOM 0 H GLY A 123 28.706 9.020 -19.682 1.00 72.20 H new ATOM 0 HA2 GLY A 123 30.759 8.095 -21.564 1.00 31.51 H new ATOM 0 HA3 GLY A 123 30.618 9.825 -21.320 1.00 31.51 H new ATOM 1948 N ASN A 124 31.787 7.551 -19.330 1.00 72.25 N ATOM 1949 CA ASN A 124 32.601 7.315 -18.143 1.00 15.21 C ATOM 1950 C ASN A 124 33.684 6.277 -18.423 1.00 31.11 C ATOM 1951 O ASN A 124 33.438 5.274 -19.092 1.00 24.12 O ATOM 1952 CB ASN A 124 31.722 6.851 -16.980 1.00 54.03 C ATOM 1953 CG ASN A 124 31.271 8.001 -16.101 1.00 14.40 C ATOM 1954 OD1 ASN A 124 30.326 8.717 -16.433 1.00 54.22 O ATOM 1955 ND2 ASN A 124 31.948 8.185 -14.972 1.00 22.32 N ATOM 0 H ASN A 124 31.662 6.732 -19.925 1.00 72.25 H new ATOM 0 HA ASN A 124 33.084 8.254 -17.872 1.00 15.21 H new ATOM 0 HB2 ASN A 124 30.847 6.333 -17.374 1.00 54.03 H new ATOM 0 HB3 ASN A 124 32.274 6.131 -16.376 1.00 54.03 H new ATOM 0 HD21 ASN A 124 31.691 8.944 -14.341 1.00 22.32 H new ATOM 0 HD22 ASN A 124 32.725 7.567 -14.737 1.00 22.32 H new ATOM 1962 N ASN A 125 34.882 6.525 -17.906 1.00 72.25 N ATOM 1963 CA ASN A 125 36.003 5.611 -18.100 1.00 52.31 C ATOM 1964 C ASN A 125 36.348 4.890 -16.801 1.00 62.50 C ATOM 1965 O ASN A 125 35.746 5.145 -15.758 1.00 22.11 O ATOM 1966 CB ASN A 125 37.226 6.374 -18.613 1.00 20.15 C ATOM 1967 CG ASN A 125 37.998 5.591 -19.659 1.00 73.14 C ATOM 1968 OD1 ASN A 125 38.028 4.361 -19.632 1.00 63.42 O ATOM 1969 ND2 ASN A 125 38.629 6.303 -20.585 1.00 11.31 N ATOM 0 H ASN A 125 35.103 7.351 -17.349 1.00 72.25 H new ATOM 0 HA ASN A 125 35.709 4.867 -18.841 1.00 52.31 H new ATOM 0 HB2 ASN A 125 36.906 7.325 -19.038 1.00 20.15 H new ATOM 0 HB3 ASN A 125 37.885 6.605 -17.776 1.00 20.15 H new ATOM 0 HD21 ASN A 125 39.166 5.831 -21.313 1.00 11.31 H new ATOM 0 HD22 ASN A 125 38.577 7.322 -20.569 1.00 11.31 H new ATOM 1976 N SER A 126 37.323 3.989 -16.872 1.00 24.05 N ATOM 1977 CA SER A 126 37.746 3.228 -15.703 1.00 71.22 C ATOM 1978 C SER A 126 39.262 3.052 -15.689 1.00 43.42 C ATOM 1979 O SER A 126 39.921 3.173 -16.721 1.00 2.03 O ATOM 1980 CB SER A 126 37.064 1.858 -15.684 1.00 44.11 C ATOM 1981 OG SER A 126 37.332 1.139 -16.875 1.00 65.50 O ATOM 0 H SER A 126 37.834 3.769 -17.727 1.00 24.05 H new ATOM 0 HA SER A 126 37.452 3.785 -14.813 1.00 71.22 H new ATOM 0 HB2 SER A 126 37.413 1.286 -14.824 1.00 44.11 H new ATOM 0 HB3 SER A 126 35.988 1.985 -15.567 1.00 44.11 H new ATOM 0 HG SER A 126 36.887 0.267 -16.838 1.00 65.50 H new ATOM 1987 N GLN A 127 39.807 2.769 -14.510 1.00 13.32 N ATOM 1988 CA GLN A 127 41.245 2.578 -14.360 1.00 15.54 C ATOM 1989 C GLN A 127 41.546 1.471 -13.355 1.00 24.01 C ATOM 1990 O GLN A 127 40.643 0.767 -12.903 1.00 10.22 O ATOM 1991 CB GLN A 127 41.910 3.882 -13.916 1.00 53.24 C ATOM 1992 CG GLN A 127 41.601 4.263 -12.476 1.00 32.24 C ATOM 1993 CD GLN A 127 41.607 5.763 -12.255 1.00 25.33 C ATOM 1994 OE1 GLN A 127 42.615 6.431 -12.480 1.00 53.24 O ATOM 1995 NE2 GLN A 127 40.476 6.300 -11.813 1.00 64.41 N ATOM 0 H GLN A 127 39.275 2.667 -13.646 1.00 13.32 H new ATOM 0 HA GLN A 127 41.650 2.283 -15.328 1.00 15.54 H new ATOM 0 HB2 GLN A 127 42.989 3.788 -14.035 1.00 53.24 H new ATOM 0 HB3 GLN A 127 41.586 4.688 -14.574 1.00 53.24 H new ATOM 0 HG2 GLN A 127 40.626 3.863 -12.200 1.00 32.24 H new ATOM 0 HG3 GLN A 127 42.334 3.799 -11.816 1.00 32.24 H new ATOM 0 HE21 GLN A 127 39.664 5.708 -11.640 1.00 64.41 H new ATOM 0 HE22 GLN A 127 40.419 7.305 -11.647 1.00 64.41 H new ATOM 2004 N VAL A 128 42.821 1.323 -13.010 1.00 54.12 N ATOM 2005 CA VAL A 128 43.241 0.302 -12.058 1.00 75.13 C ATOM 2006 C VAL A 128 42.996 0.755 -10.623 1.00 40.31 C ATOM 2007 O VAL A 128 43.548 1.760 -10.175 1.00 1.42 O ATOM 2008 CB VAL A 128 44.732 -0.044 -12.228 1.00 74.33 C ATOM 2009 CG1 VAL A 128 45.109 -1.230 -11.352 1.00 44.13 C ATOM 2010 CG2 VAL A 128 45.049 -0.328 -13.688 1.00 33.13 C ATOM 0 H VAL A 128 43.581 1.897 -13.376 1.00 54.12 H new ATOM 0 HA VAL A 128 42.644 -0.587 -12.262 1.00 75.13 H new ATOM 0 HB VAL A 128 45.325 0.814 -11.911 1.00 74.33 H new ATOM 0 HG11 VAL A 128 46.166 -1.460 -11.486 1.00 44.13 H new ATOM 0 HG12 VAL A 128 44.920 -0.985 -10.307 1.00 44.13 H new ATOM 0 HG13 VAL A 128 44.511 -2.096 -11.635 1.00 44.13 H new ATOM 0 HG21 VAL A 128 46.107 -0.571 -13.790 1.00 33.13 H new ATOM 0 HG22 VAL A 128 44.449 -1.169 -14.034 1.00 33.13 H new ATOM 0 HG23 VAL A 128 44.819 0.552 -14.288 1.00 33.13 H new ATOM 2020 N SER A 129 42.166 0.006 -9.905 1.00 20.41 N ATOM 2021 CA SER A 129 41.845 0.331 -8.520 1.00 11.12 C ATOM 2022 C SER A 129 40.969 -0.751 -7.896 1.00 32.44 C ATOM 2023 O SER A 129 40.376 -1.567 -8.601 1.00 33.04 O ATOM 2024 CB SER A 129 41.135 1.684 -8.444 1.00 51.32 C ATOM 2025 OG SER A 129 41.969 2.665 -7.852 1.00 3.30 O ATOM 0 H SER A 129 41.703 -0.831 -10.260 1.00 20.41 H new ATOM 0 HA SER A 129 42.778 0.385 -7.960 1.00 11.12 H new ATOM 0 HB2 SER A 129 40.847 2.004 -9.445 1.00 51.32 H new ATOM 0 HB3 SER A 129 40.217 1.585 -7.864 1.00 51.32 H new ATOM 0 HG SER A 129 42.782 2.771 -8.389 1.00 3.30 H new ATOM 2031 N GLN A 130 40.895 -0.750 -6.569 1.00 12.14 N ATOM 2032 CA GLN A 130 40.093 -1.733 -5.849 1.00 12.24 C ATOM 2033 C GLN A 130 38.869 -1.078 -5.217 1.00 41.32 C ATOM 2034 O GLN A 130 38.890 0.105 -4.881 1.00 3.13 O ATOM 2035 CB GLN A 130 40.934 -2.418 -4.770 1.00 10.44 C ATOM 2036 CG GLN A 130 41.751 -1.449 -3.930 1.00 25.21 C ATOM 2037 CD GLN A 130 42.144 -2.032 -2.587 1.00 32.31 C ATOM 2038 OE1 GLN A 130 41.516 -2.969 -2.096 1.00 63.34 O ATOM 2039 NE2 GLN A 130 43.191 -1.478 -1.985 1.00 1.02 N ATOM 0 H GLN A 130 41.380 -0.081 -5.971 1.00 12.14 H new ATOM 0 HA GLN A 130 39.754 -2.482 -6.564 1.00 12.24 H new ATOM 0 HB2 GLN A 130 40.275 -2.988 -4.115 1.00 10.44 H new ATOM 0 HB3 GLN A 130 41.607 -3.132 -5.244 1.00 10.44 H new ATOM 0 HG2 GLN A 130 42.651 -1.168 -4.478 1.00 25.21 H new ATOM 0 HG3 GLN A 130 41.176 -0.537 -3.772 1.00 25.21 H new ATOM 0 HE21 GLN A 130 43.683 -0.702 -2.429 1.00 1.02 H new ATOM 0 HE22 GLN A 130 43.503 -1.828 -1.079 1.00 1.02 H new ATOM 2048 N ASN A 131 37.804 -1.856 -5.056 1.00 22.45 N ATOM 2049 CA ASN A 131 36.570 -1.352 -4.465 1.00 54.33 C ATOM 2050 C ASN A 131 36.578 -1.536 -2.951 1.00 63.02 C ATOM 2051 O ASN A 131 36.067 -0.696 -2.210 1.00 12.33 O ATOM 2052 CB ASN A 131 35.360 -2.066 -5.070 1.00 14.02 C ATOM 2053 CG ASN A 131 34.202 -1.123 -5.329 1.00 4.54 C ATOM 2054 OD1 ASN A 131 33.776 -0.943 -6.471 1.00 14.12 O ATOM 2055 ND2 ASN A 131 33.685 -0.515 -4.268 1.00 51.42 N ATOM 0 H ASN A 131 37.771 -2.839 -5.327 1.00 22.45 H new ATOM 0 HA ASN A 131 36.501 -0.286 -4.684 1.00 54.33 H new ATOM 0 HB2 ASN A 131 35.653 -2.542 -6.006 1.00 14.02 H new ATOM 0 HB3 ASN A 131 35.035 -2.859 -4.396 1.00 14.02 H new ATOM 0 HD21 ASN A 131 32.904 0.131 -4.381 1.00 51.42 H new ATOM 0 HD22 ASN A 131 34.069 -0.694 -3.340 1.00 51.42 H new ATOM 2062 N TYR A 132 37.161 -2.641 -2.498 1.00 43.34 N ATOM 2063 CA TYR A 132 37.234 -2.936 -1.072 1.00 62.35 C ATOM 2064 C TYR A 132 38.602 -2.565 -0.507 1.00 31.15 C ATOM 2065 O TYR A 132 39.153 -1.514 -0.832 1.00 73.14 O ATOM 2066 CB TYR A 132 36.952 -4.418 -0.822 1.00 74.15 C ATOM 2067 CG TYR A 132 35.618 -4.880 -1.363 1.00 63.42 C ATOM 2068 CD1 TYR A 132 34.432 -4.541 -0.723 1.00 2.11 C ATOM 2069 CD2 TYR A 132 35.544 -5.658 -2.511 1.00 5.44 C ATOM 2070 CE1 TYR A 132 33.211 -4.961 -1.213 1.00 63.54 C ATOM 2071 CE2 TYR A 132 34.327 -6.082 -3.009 1.00 3.00 C ATOM 2072 CZ TYR A 132 33.163 -5.731 -2.357 1.00 41.11 C ATOM 2073 OH TYR A 132 31.949 -6.152 -2.849 1.00 72.55 O ATOM 0 H TYR A 132 37.589 -3.346 -3.097 1.00 43.34 H new ATOM 0 HA TYR A 132 36.477 -2.338 -0.564 1.00 62.35 H new ATOM 0 HB2 TYR A 132 37.745 -5.012 -1.277 1.00 74.15 H new ATOM 0 HB3 TYR A 132 36.986 -4.610 0.250 1.00 74.15 H new ATOM 0 HD1 TYR A 132 34.466 -3.939 0.173 1.00 2.11 H new ATOM 0 HD2 TYR A 132 36.453 -5.936 -3.023 1.00 5.44 H new ATOM 0 HE1 TYR A 132 32.299 -4.688 -0.704 1.00 63.54 H new ATOM 0 HE2 TYR A 132 34.287 -6.685 -3.904 1.00 3.00 H new ATOM 0 HH TYR A 132 32.091 -6.683 -3.660 1.00 72.55 H new TER 2083 TYR A 132 HETATM 2084 C1 MYR A 1 -1.330 13.287 6.241 1.00 23.54 C HETATM 2085 O1 MYR A 1 -0.384 12.540 6.488 1.00 44.45 O HETATM 2086 C2 MYR A 1 -1.961 13.222 4.849 1.00 14.45 C HETATM 2087 C3 MYR A 1 -1.372 12.129 3.926 1.00 11.33 C HETATM 2088 C4 MYR A 1 -2.004 10.750 4.185 1.00 12.11 C HETATM 2089 C5 MYR A 1 -0.945 9.635 4.279 1.00 21.20 C HETATM 2090 C6 MYR A 1 -1.556 8.233 4.082 1.00 51.51 C HETATM 2091 C7 MYR A 1 -0.600 7.281 3.342 1.00 33.35 C HETATM 2092 C8 MYR A 1 -1.354 6.252 2.478 1.00 3.11 C HETATM 2093 C9 MYR A 1 -1.411 4.864 3.143 1.00 64.13 C HETATM 2094 C10 MYR A 1 -1.879 3.766 2.166 1.00 3.55 C HETATM 2095 C11 MYR A 1 -1.007 3.629 0.900 1.00 34.44 C HETATM 2096 C12 MYR A 1 -1.176 2.289 0.153 1.00 52.53 C HETATM 2097 C13 MYR A 1 0.155 1.766 -0.413 1.00 33.10 C HETATM 2098 C14 MYR A 1 0.161 0.236 -0.536 1.00 14.12 C HETATM 0 H143 MYR A 1 0.010 -0.209 0.448 1.00 14.12 H new HETATM 0 H142 MYR A 1 -0.641 -0.078 -1.204 1.00 14.12 H new HETATM 0 H141 MYR A 1 1.119 -0.093 -0.940 1.00 14.12 H new HETATM 0 H132 MYR A 1 0.333 2.210 -1.392 1.00 33.10 H new HETATM 0 H131 MYR A 1 0.974 2.082 0.233 1.00 33.10 H new HETATM 0 H122 MYR A 1 -1.596 1.547 0.832 1.00 52.53 H new HETATM 0 H121 MYR A 1 -1.890 2.417 -0.661 1.00 52.53 H new HETATM 0 H112 MYR A 1 -1.247 4.444 0.218 1.00 34.44 H new HETATM 0 H111 MYR A 1 0.040 3.746 1.180 1.00 34.44 H new HETATM 0 H102 MYR A 1 -1.891 2.810 2.690 1.00 3.55 H new HETATM 0 H101 MYR A 1 -2.905 3.977 1.865 1.00 3.55 H new HETATM 0 H92 MYR A 1 -0.424 4.608 3.529 1.00 64.13 H new HETATM 0 H91 MYR A 1 -2.088 4.900 3.997 1.00 64.13 H new HETATM 0 H82 MYR A 1 -2.368 6.607 2.295 1.00 3.11 H new HETATM 0 H81 MYR A 1 -0.866 6.168 1.507 1.00 3.11 H new HETATM 0 H72 MYR A 1 0.070 7.862 2.709 1.00 33.35 H new HETATM 0 H71 MYR A 1 0.022 6.757 4.068 1.00 33.35 H new HETATM 0 H62 MYR A 1 -1.808 7.809 5.054 1.00 51.51 H new HETATM 0 H61 MYR A 1 -2.486 8.320 3.521 1.00 51.51 H new HETATM 0 H52 MYR A 1 -0.175 9.803 3.526 1.00 21.20 H new HETATM 0 H51 MYR A 1 -0.455 9.683 5.252 1.00 21.20 H new HETATM 0 H42 MYR A 1 -2.578 10.783 5.111 1.00 12.11 H new HETATM 0 H41 MYR A 1 -2.705 10.517 3.384 1.00 12.11 H new HETATM 0 H32 MYR A 1 -1.531 12.410 2.885 1.00 11.33 H new HETATM 0 H31 MYR A 1 -0.295 12.068 4.079 1.00 11.33 H new HETATM 0 H22 MYR A 1 -3.032 13.049 4.957 1.00 14.45 H new HETATM 0 H21 MYR A 1 -1.842 14.191 4.365 1.00 14.45 H new