USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 682 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 58 GLN : amide:sc= -0.252 K(o=-0.6,f=1.3) USER MOD Set 1.2: A 62 TYR OH : rot 30:sc= -0.348 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 113:sc=9.13e-05 USER MOD Single : A -1 MET CE :methyl -155:sc= -0.261 (180deg=-1.33!) USER MOD Single : A -3 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 75:sc= 0.456 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 132:sc= 0.366 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= -0.0182 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.537 USER MOD Single : A 32 GLN : amide:sc= -0.665 K(o=-0.67,f=-4.5!) USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.469 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 2:sc= 1.66 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0145 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 64 TYR OH : rot 180:sc= -1.01 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -139:sc= 0 (180deg=-0.0852) USER MOD Single : A 79 ASN : amide:sc= -0.61 K(o=-0.61,f=-6!) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 81 HIS : no HD1:sc= -0.196 X(o=-0.2,f=-0.13) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 59.911 -2.439 24.947 1.00 16.81 N ATOM 2 CA GLY A -3 59.592 -3.551 24.005 1.00 16.33 C ATOM 3 C GLY A -3 58.558 -4.480 24.644 1.00 15.47 C ATOM 4 O GLY A -3 58.877 -5.575 25.070 1.00 15.61 O ATOM 0 H1 GLY A -3 60.614 -1.807 24.513 1.00 16.81 H new ATOM 0 H2 GLY A -3 59.045 -1.902 25.156 1.00 16.81 H new ATOM 0 H3 GLY A -3 60.297 -2.831 25.830 1.00 16.81 H new ATOM 0 HA2 GLY A -3 59.206 -3.149 23.068 1.00 16.33 H new ATOM 0 HA3 GLY A -3 60.497 -4.108 23.763 1.00 16.33 H new ATOM 10 N ALA A -2 57.321 -4.049 24.711 1.00 14.72 N ATOM 11 CA ALA A -2 56.251 -4.902 25.324 1.00 13.98 C ATOM 12 C ALA A -2 55.994 -6.139 24.457 1.00 13.31 C ATOM 13 O ALA A -2 55.675 -7.201 24.960 1.00 13.27 O ATOM 14 CB ALA A -2 55.002 -4.017 25.376 1.00 13.88 C ATOM 0 H ALA A -2 57.005 -3.142 24.367 1.00 14.72 H new ATOM 0 HA ALA A -2 56.535 -5.259 26.314 1.00 13.98 H new ATOM 0 HB1 ALA A -2 54.177 -4.578 25.815 1.00 13.88 H new ATOM 0 HB2 ALA A -2 55.206 -3.136 25.984 1.00 13.88 H new ATOM 0 HB3 ALA A -2 54.734 -3.707 24.366 1.00 13.88 H new ATOM 20 N MET A -1 56.131 -6.004 23.159 1.00 12.95 N ATOM 21 CA MET A -1 55.900 -7.166 22.248 1.00 12.47 C ATOM 22 C MET A -1 57.235 -7.803 21.852 1.00 11.94 C ATOM 23 O MET A -1 58.201 -7.114 21.578 1.00 12.15 O ATOM 24 CB MET A -1 55.203 -6.576 21.021 1.00 12.58 C ATOM 25 CG MET A -1 53.807 -6.086 21.410 1.00 13.06 C ATOM 26 SD MET A -1 52.914 -5.558 19.927 1.00 13.51 S ATOM 27 CE MET A -1 54.030 -4.213 19.454 1.00 13.59 C ATOM 0 H MET A -1 56.394 -5.136 22.692 1.00 12.95 H new ATOM 0 HA MET A -1 55.304 -7.947 22.720 1.00 12.47 H new ATOM 0 HB2 MET A -1 55.790 -5.751 20.619 1.00 12.58 H new ATOM 0 HB3 MET A -1 55.130 -7.328 20.235 1.00 12.58 H new ATOM 0 HG2 MET A -1 53.258 -6.882 21.913 1.00 13.06 H new ATOM 0 HG3 MET A -1 53.884 -5.258 22.114 1.00 13.06 H new ATOM 0 HE1 MET A -1 53.485 -3.480 18.860 1.00 13.59 H new ATOM 0 HE2 MET A -1 54.423 -3.734 20.351 1.00 13.59 H new ATOM 0 HE3 MET A -1 54.855 -4.615 18.866 1.00 13.59 H new ATOM 37 N ALA A 0 57.292 -9.113 21.822 1.00 11.44 N ATOM 38 CA ALA A 0 58.566 -9.809 21.446 1.00 11.09 C ATOM 39 C ALA A 0 58.885 -9.569 19.967 1.00 10.29 C ATOM 40 O ALA A 0 60.036 -9.476 19.582 1.00 10.44 O ATOM 41 CB ALA A 0 58.309 -11.296 21.701 1.00 11.36 C ATOM 0 H ALA A 0 56.511 -9.732 22.042 1.00 11.44 H new ATOM 0 HA ALA A 0 59.415 -9.441 22.021 1.00 11.09 H new ATOM 0 HB1 ALA A 0 59.201 -11.868 21.447 1.00 11.36 H new ATOM 0 HB2 ALA A 0 58.067 -11.448 22.753 1.00 11.36 H new ATOM 0 HB3 ALA A 0 57.475 -11.632 21.085 1.00 11.36 H new ATOM 47 N MET A 1 57.871 -9.467 19.140 1.00 9.64 N ATOM 48 CA MET A 1 58.102 -9.242 17.680 1.00 9.00 C ATOM 49 C MET A 1 57.430 -7.942 17.231 1.00 8.14 C ATOM 50 O MET A 1 56.444 -7.516 17.803 1.00 8.02 O ATOM 51 CB MET A 1 57.456 -10.444 16.987 1.00 9.20 C ATOM 52 CG MET A 1 58.240 -11.715 17.324 1.00 9.93 C ATOM 53 SD MET A 1 59.811 -11.714 16.425 1.00 10.45 S ATOM 54 CE MET A 1 60.795 -12.561 17.686 1.00 10.27 C ATOM 0 H MET A 1 56.891 -9.530 19.416 1.00 9.64 H new ATOM 0 HA MET A 1 59.161 -9.152 17.440 1.00 9.00 H new ATOM 0 HB2 MET A 1 56.420 -10.548 17.309 1.00 9.20 H new ATOM 0 HB3 MET A 1 57.441 -10.289 15.908 1.00 9.20 H new ATOM 0 HG2 MET A 1 58.423 -11.768 18.397 1.00 9.93 H new ATOM 0 HG3 MET A 1 57.657 -12.596 17.057 1.00 9.93 H new ATOM 0 HE1 MET A 1 61.821 -12.670 17.334 1.00 10.27 H new ATOM 0 HE2 MET A 1 60.787 -11.977 18.607 1.00 10.27 H new ATOM 0 HE3 MET A 1 60.371 -13.547 17.877 1.00 10.27 H new ATOM 64 N SER A 2 57.961 -7.311 16.211 1.00 7.80 N ATOM 65 CA SER A 2 57.357 -6.041 15.704 1.00 7.23 C ATOM 66 C SER A 2 57.193 -6.106 14.183 1.00 6.58 C ATOM 67 O SER A 2 57.887 -6.844 13.509 1.00 6.77 O ATOM 68 CB SER A 2 58.354 -4.948 16.089 1.00 7.77 C ATOM 69 OG SER A 2 59.564 -5.141 15.370 1.00 7.87 O ATOM 0 H SER A 2 58.791 -7.624 15.707 1.00 7.80 H new ATOM 0 HA SER A 2 56.368 -5.857 16.123 1.00 7.23 H new ATOM 0 HB2 SER A 2 57.938 -3.966 15.866 1.00 7.77 H new ATOM 0 HB3 SER A 2 58.546 -4.977 17.161 1.00 7.77 H new ATOM 0 HG SER A 2 59.688 -4.405 14.735 1.00 7.87 H new ATOM 75 N GLY A 3 56.277 -5.337 13.642 1.00 6.13 N ATOM 76 CA GLY A 3 56.047 -5.350 12.165 1.00 5.83 C ATOM 77 C GLY A 3 56.125 -3.921 11.623 1.00 5.13 C ATOM 78 O GLY A 3 56.775 -3.663 10.626 1.00 5.36 O ATOM 0 H GLY A 3 55.677 -4.699 14.164 1.00 6.13 H new ATOM 0 HA2 GLY A 3 56.793 -5.977 11.676 1.00 5.83 H new ATOM 0 HA3 GLY A 3 55.071 -5.782 11.942 1.00 5.83 H new ATOM 82 N GLY A 4 55.465 -2.992 12.274 1.00 4.64 N ATOM 83 CA GLY A 4 55.474 -1.576 11.796 1.00 4.33 C ATOM 84 C GLY A 4 56.877 -0.983 11.960 1.00 3.72 C ATOM 85 O GLY A 4 57.390 -0.334 11.066 1.00 3.65 O ATOM 0 H GLY A 4 54.919 -3.157 13.119 1.00 4.64 H new ATOM 0 HA2 GLY A 4 55.171 -1.534 10.750 1.00 4.33 H new ATOM 0 HA3 GLY A 4 54.752 -0.987 12.361 1.00 4.33 H new ATOM 89 N LEU A 5 57.495 -1.202 13.094 1.00 3.63 N ATOM 90 CA LEU A 5 58.867 -0.650 13.332 1.00 3.32 C ATOM 91 C LEU A 5 59.929 -1.563 12.690 1.00 2.83 C ATOM 92 O LEU A 5 60.083 -2.695 13.112 1.00 2.73 O ATOM 93 CB LEU A 5 59.034 -0.635 14.854 1.00 3.86 C ATOM 94 CG LEU A 5 60.301 0.137 15.223 1.00 4.34 C ATOM 95 CD1 LEU A 5 60.004 1.637 15.225 1.00 4.55 C ATOM 96 CD2 LEU A 5 60.771 -0.291 16.616 1.00 5.14 C ATOM 0 H LEU A 5 57.108 -1.741 13.869 1.00 3.63 H new ATOM 0 HA LEU A 5 58.990 0.341 12.896 1.00 3.32 H new ATOM 0 HB2 LEU A 5 58.165 -0.172 15.321 1.00 3.86 H new ATOM 0 HB3 LEU A 5 59.094 -1.655 15.234 1.00 3.86 H new ATOM 0 HG LEU A 5 61.082 -0.077 14.493 1.00 4.34 H new ATOM 0 HD11 LEU A 5 60.908 2.187 15.488 1.00 4.55 H new ATOM 0 HD12 LEU A 5 59.669 1.943 14.234 1.00 4.55 H new ATOM 0 HD13 LEU A 5 59.223 1.852 15.954 1.00 4.55 H new ATOM 0 HD21 LEU A 5 61.674 0.259 16.880 1.00 5.14 H new ATOM 0 HD22 LEU A 5 59.990 -0.077 17.345 1.00 5.14 H new ATOM 0 HD23 LEU A 5 60.984 -1.360 16.616 1.00 5.14 H new ATOM 108 N PRO A 6 60.634 -1.057 11.690 1.00 2.64 N ATOM 109 CA PRO A 6 61.696 -1.864 11.031 1.00 2.25 C ATOM 110 C PRO A 6 62.856 -2.113 12.004 1.00 1.69 C ATOM 111 O PRO A 6 63.261 -1.227 12.734 1.00 1.50 O ATOM 112 CB PRO A 6 62.153 -1.002 9.846 1.00 2.30 C ATOM 113 CG PRO A 6 61.150 0.104 9.730 1.00 2.73 C ATOM 114 CD PRO A 6 60.521 0.276 11.083 1.00 2.91 C ATOM 0 HA PRO A 6 61.342 -2.845 10.713 1.00 2.25 H new ATOM 0 HB2 PRO A 6 63.154 -0.605 10.015 1.00 2.30 H new ATOM 0 HB3 PRO A 6 62.194 -1.590 8.929 1.00 2.30 H new ATOM 0 HG2 PRO A 6 61.631 1.028 9.409 1.00 2.73 H new ATOM 0 HG3 PRO A 6 60.395 -0.138 8.982 1.00 2.73 H new ATOM 0 HD2 PRO A 6 61.041 1.031 11.673 1.00 2.91 H new ATOM 0 HD3 PRO A 6 59.481 0.594 11.004 1.00 2.91 H new ATOM 122 N GLU A 7 63.388 -3.314 12.016 1.00 1.57 N ATOM 123 CA GLU A 7 64.544 -3.622 12.923 1.00 1.16 C ATOM 124 C GLU A 7 65.774 -2.801 12.520 1.00 0.84 C ATOM 125 O GLU A 7 66.138 -2.744 11.360 1.00 0.86 O ATOM 126 CB GLU A 7 64.819 -5.116 12.732 1.00 1.47 C ATOM 127 CG GLU A 7 63.643 -5.929 13.278 1.00 1.78 C ATOM 128 CD GLU A 7 63.945 -7.424 13.153 1.00 2.22 C ATOM 129 OE1 GLU A 7 65.072 -7.808 13.425 1.00 2.67 O ATOM 130 OE2 GLU A 7 63.045 -8.161 12.787 1.00 2.56 O ATOM 0 H GLU A 7 63.073 -4.093 11.438 1.00 1.57 H new ATOM 0 HA GLU A 7 64.322 -3.376 13.961 1.00 1.16 H new ATOM 0 HB2 GLU A 7 64.967 -5.337 11.675 1.00 1.47 H new ATOM 0 HB3 GLU A 7 65.738 -5.396 13.247 1.00 1.47 H new ATOM 0 HG2 GLU A 7 63.464 -5.671 14.322 1.00 1.78 H new ATOM 0 HG3 GLU A 7 62.734 -5.685 12.729 1.00 1.78 H new ATOM 137 N LEU A 8 66.412 -2.165 13.475 1.00 0.65 N ATOM 138 CA LEU A 8 67.606 -1.313 13.157 1.00 0.54 C ATOM 139 C LEU A 8 68.757 -2.168 12.614 1.00 0.42 C ATOM 140 O LEU A 8 68.972 -3.282 13.054 1.00 0.36 O ATOM 141 CB LEU A 8 68.012 -0.674 14.490 1.00 0.72 C ATOM 142 CG LEU A 8 66.903 0.263 14.975 1.00 0.84 C ATOM 143 CD1 LEU A 8 67.187 0.688 16.416 1.00 1.08 C ATOM 144 CD2 LEU A 8 66.855 1.506 14.081 1.00 1.02 C ATOM 0 H LEU A 8 66.158 -2.199 14.462 1.00 0.65 H new ATOM 0 HA LEU A 8 67.375 -0.570 12.394 1.00 0.54 H new ATOM 0 HB2 LEU A 8 68.197 -1.449 15.234 1.00 0.72 H new ATOM 0 HB3 LEU A 8 68.942 -0.119 14.369 1.00 0.72 H new ATOM 0 HG LEU A 8 65.946 -0.257 14.929 1.00 0.84 H new ATOM 0 HD11 LEU A 8 66.397 1.355 16.761 1.00 1.08 H new ATOM 0 HD12 LEU A 8 67.222 -0.194 17.055 1.00 1.08 H new ATOM 0 HD13 LEU A 8 68.145 1.206 16.460 1.00 1.08 H new ATOM 0 HD21 LEU A 8 66.065 2.173 14.427 1.00 1.02 H new ATOM 0 HD22 LEU A 8 67.813 2.024 14.126 1.00 1.02 H new ATOM 0 HD23 LEU A 8 66.653 1.207 13.053 1.00 1.02 H new ATOM 156 N GLY A 9 69.494 -1.649 11.661 1.00 0.45 N ATOM 157 CA GLY A 9 70.679 -2.388 11.123 1.00 0.43 C ATOM 158 C GLY A 9 70.270 -3.440 10.079 1.00 0.29 C ATOM 159 O GLY A 9 71.117 -4.108 9.514 1.00 0.35 O ATOM 0 H GLY A 9 69.324 -0.740 11.231 1.00 0.45 H new ATOM 0 HA2 GLY A 9 71.375 -1.680 10.673 1.00 0.43 H new ATOM 0 HA3 GLY A 9 71.206 -2.876 11.943 1.00 0.43 H new ATOM 163 N SER A 10 68.990 -3.600 9.813 1.00 0.18 N ATOM 164 CA SER A 10 68.546 -4.612 8.797 1.00 0.15 C ATOM 165 C SER A 10 69.083 -4.248 7.409 1.00 0.10 C ATOM 166 O SER A 10 69.194 -3.084 7.069 1.00 0.08 O ATOM 167 CB SER A 10 67.018 -4.550 8.803 1.00 0.30 C ATOM 168 OG SER A 10 66.539 -4.919 10.090 1.00 0.35 O ATOM 0 H SER A 10 68.236 -3.074 10.255 1.00 0.18 H new ATOM 0 HA SER A 10 68.916 -5.610 9.033 1.00 0.15 H new ATOM 0 HB2 SER A 10 66.682 -3.544 8.552 1.00 0.30 H new ATOM 0 HB3 SER A 10 66.612 -5.220 8.045 1.00 0.30 H new ATOM 0 HG SER A 10 66.686 -4.181 10.718 1.00 0.35 H new ATOM 174 N LYS A 11 69.417 -5.234 6.612 1.00 0.10 N ATOM 175 CA LYS A 11 69.876 -4.951 5.215 1.00 0.08 C ATOM 176 C LYS A 11 68.668 -4.743 4.290 1.00 0.09 C ATOM 177 O LYS A 11 67.788 -5.584 4.200 1.00 0.12 O ATOM 178 CB LYS A 11 70.714 -6.174 4.796 1.00 0.12 C ATOM 179 CG LYS A 11 69.842 -7.434 4.682 1.00 0.16 C ATOM 180 CD LYS A 11 70.740 -8.657 4.493 1.00 0.30 C ATOM 181 CE LYS A 11 69.896 -9.846 4.025 1.00 1.40 C ATOM 182 NZ LYS A 11 70.645 -11.050 4.478 1.00 1.62 N ATOM 0 H LYS A 11 69.392 -6.221 6.868 1.00 0.10 H new ATOM 0 HA LYS A 11 70.468 -4.038 5.152 1.00 0.08 H new ATOM 0 HB2 LYS A 11 71.198 -5.976 3.840 1.00 0.12 H new ATOM 0 HB3 LYS A 11 71.506 -6.342 5.525 1.00 0.12 H new ATOM 0 HG2 LYS A 11 69.233 -7.551 5.579 1.00 0.16 H new ATOM 0 HG3 LYS A 11 69.155 -7.340 3.841 1.00 0.16 H new ATOM 0 HD2 LYS A 11 71.518 -8.440 3.761 1.00 0.30 H new ATOM 0 HD3 LYS A 11 71.242 -8.900 5.429 1.00 0.30 H new ATOM 0 HE2 LYS A 11 68.897 -9.816 4.459 1.00 1.40 H new ATOM 0 HE3 LYS A 11 69.773 -9.841 2.942 1.00 1.40 H new ATOM 0 HZ1 LYS A 11 70.129 -11.907 4.194 1.00 1.62 H new ATOM 0 HZ2 LYS A 11 71.590 -11.055 4.044 1.00 1.62 H new ATOM 0 HZ3 LYS A 11 70.740 -11.030 5.513 1.00 1.62 H new ATOM 196 N ILE A 12 68.622 -3.627 3.603 1.00 0.08 N ATOM 197 CA ILE A 12 67.461 -3.337 2.705 1.00 0.10 C ATOM 198 C ILE A 12 67.947 -3.140 1.264 1.00 0.09 C ATOM 199 O ILE A 12 69.005 -2.584 1.026 1.00 0.08 O ATOM 200 CB ILE A 12 66.827 -2.046 3.252 1.00 0.12 C ATOM 201 CG1 ILE A 12 66.367 -2.271 4.699 1.00 0.15 C ATOM 202 CG2 ILE A 12 65.615 -1.659 2.395 1.00 0.15 C ATOM 203 CD1 ILE A 12 65.949 -0.936 5.322 1.00 0.18 C ATOM 0 H ILE A 12 69.340 -2.903 3.626 1.00 0.08 H new ATOM 0 HA ILE A 12 66.741 -4.155 2.688 1.00 0.10 H new ATOM 0 HB ILE A 12 67.567 -1.246 3.221 1.00 0.12 H new ATOM 0 HG12 ILE A 12 65.531 -2.971 4.720 1.00 0.15 H new ATOM 0 HG13 ILE A 12 67.172 -2.719 5.281 1.00 0.15 H new ATOM 0 HG21 ILE A 12 65.170 -0.744 2.786 1.00 0.15 H new ATOM 0 HG22 ILE A 12 65.934 -1.495 1.366 1.00 0.15 H new ATOM 0 HG23 ILE A 12 64.878 -2.462 2.423 1.00 0.15 H new ATOM 0 HD11 ILE A 12 65.623 -1.100 6.349 1.00 0.18 H new ATOM 0 HD12 ILE A 12 66.796 -0.250 5.315 1.00 0.18 H new ATOM 0 HD13 ILE A 12 65.130 -0.506 4.746 1.00 0.18 H new ATOM 215 N SER A 13 67.171 -3.597 0.311 1.00 0.11 N ATOM 216 CA SER A 13 67.489 -3.350 -1.125 1.00 0.10 C ATOM 217 C SER A 13 66.591 -2.232 -1.658 1.00 0.10 C ATOM 218 O SER A 13 65.408 -2.194 -1.377 1.00 0.12 O ATOM 219 CB SER A 13 67.190 -4.669 -1.835 1.00 0.12 C ATOM 220 OG SER A 13 67.573 -4.566 -3.199 1.00 0.12 O ATOM 0 H SER A 13 66.321 -4.137 0.472 1.00 0.11 H new ATOM 0 HA SER A 13 68.523 -3.040 -1.280 1.00 0.10 H new ATOM 0 HB2 SER A 13 67.730 -5.484 -1.354 1.00 0.12 H new ATOM 0 HB3 SER A 13 66.128 -4.903 -1.760 1.00 0.12 H new ATOM 0 HG SER A 13 67.384 -5.412 -3.657 1.00 0.12 H new ATOM 226 N LEU A 14 67.145 -1.326 -2.422 1.00 0.09 N ATOM 227 CA LEU A 14 66.407 -0.079 -2.783 1.00 0.10 C ATOM 228 C LEU A 14 66.540 0.201 -4.284 1.00 0.10 C ATOM 229 O LEU A 14 67.632 0.246 -4.815 1.00 0.11 O ATOM 230 CB LEU A 14 67.097 1.009 -1.959 1.00 0.11 C ATOM 231 CG LEU A 14 66.188 2.232 -1.835 1.00 0.15 C ATOM 232 CD1 LEU A 14 64.987 1.896 -0.947 1.00 0.17 C ATOM 233 CD2 LEU A 14 66.977 3.378 -1.200 1.00 0.17 C ATOM 0 H LEU A 14 68.084 -1.398 -2.814 1.00 0.09 H new ATOM 0 HA LEU A 14 65.338 -0.140 -2.577 1.00 0.10 H new ATOM 0 HB2 LEU A 14 67.341 0.626 -0.968 1.00 0.11 H new ATOM 0 HB3 LEU A 14 68.038 1.292 -2.431 1.00 0.11 H new ATOM 0 HG LEU A 14 65.835 2.524 -2.824 1.00 0.15 H new ATOM 0 HD11 LEU A 14 64.342 2.770 -0.861 1.00 0.17 H new ATOM 0 HD12 LEU A 14 64.426 1.073 -1.390 1.00 0.17 H new ATOM 0 HD13 LEU A 14 65.337 1.605 0.043 1.00 0.17 H new ATOM 0 HD21 LEU A 14 66.335 4.254 -1.108 1.00 0.17 H new ATOM 0 HD22 LEU A 14 67.324 3.077 -0.212 1.00 0.17 H new ATOM 0 HD23 LEU A 14 67.835 3.621 -1.827 1.00 0.17 H new ATOM 245 N ILE A 15 65.435 0.390 -4.968 1.00 0.09 N ATOM 246 CA ILE A 15 65.487 0.629 -6.446 1.00 0.08 C ATOM 247 C ILE A 15 65.177 2.103 -6.744 1.00 0.08 C ATOM 248 O ILE A 15 64.097 2.589 -6.442 1.00 0.10 O ATOM 249 CB ILE A 15 64.406 -0.289 -7.044 1.00 0.10 C ATOM 250 CG1 ILE A 15 64.717 -1.753 -6.702 1.00 0.10 C ATOM 251 CG2 ILE A 15 64.375 -0.130 -8.569 1.00 0.10 C ATOM 252 CD1 ILE A 15 63.503 -2.625 -7.030 1.00 0.13 C ATOM 0 H ILE A 15 64.498 0.389 -4.565 1.00 0.09 H new ATOM 0 HA ILE A 15 66.469 0.416 -6.868 1.00 0.08 H new ATOM 0 HB ILE A 15 63.439 -0.012 -6.625 1.00 0.10 H new ATOM 0 HG12 ILE A 15 65.585 -2.093 -7.267 1.00 0.10 H new ATOM 0 HG13 ILE A 15 64.969 -1.845 -5.645 1.00 0.10 H new ATOM 0 HG21 ILE A 15 63.608 -0.782 -8.987 1.00 0.10 H new ATOM 0 HG22 ILE A 15 64.148 0.906 -8.822 1.00 0.10 H new ATOM 0 HG23 ILE A 15 65.346 -0.401 -8.983 1.00 0.10 H new ATOM 0 HD11 ILE A 15 63.725 -3.664 -6.787 1.00 0.13 H new ATOM 0 HD12 ILE A 15 62.646 -2.291 -6.445 1.00 0.13 H new ATOM 0 HD13 ILE A 15 63.272 -2.542 -8.092 1.00 0.13 H new ATOM 264 N SER A 16 66.124 2.804 -7.330 1.00 0.08 N ATOM 265 CA SER A 16 65.934 4.262 -7.615 1.00 0.10 C ATOM 266 C SER A 16 65.381 4.484 -9.030 1.00 0.11 C ATOM 267 O SER A 16 65.537 3.647 -9.905 1.00 0.11 O ATOM 268 CB SER A 16 67.334 4.865 -7.501 1.00 0.11 C ATOM 269 OG SER A 16 67.840 4.633 -6.192 1.00 0.12 O ATOM 0 H SER A 16 67.024 2.424 -7.624 1.00 0.08 H new ATOM 0 HA SER A 16 65.220 4.716 -6.928 1.00 0.10 H new ATOM 0 HB2 SER A 16 67.996 4.420 -8.244 1.00 0.11 H new ATOM 0 HB3 SER A 16 67.299 5.935 -7.706 1.00 0.11 H new ATOM 0 HG SER A 16 68.753 4.281 -6.252 1.00 0.12 H new ATOM 275 N LYS A 17 64.756 5.624 -9.253 1.00 0.13 N ATOM 276 CA LYS A 17 64.015 5.888 -10.538 1.00 0.15 C ATOM 277 C LYS A 17 64.886 5.663 -11.787 1.00 0.14 C ATOM 278 O LYS A 17 64.374 5.588 -12.889 1.00 0.16 O ATOM 279 CB LYS A 17 63.600 7.362 -10.459 1.00 0.18 C ATOM 280 CG LYS A 17 62.599 7.675 -11.572 1.00 0.88 C ATOM 281 CD LYS A 17 62.236 9.161 -11.530 1.00 1.28 C ATOM 282 CE LYS A 17 61.134 9.447 -12.553 1.00 1.99 C ATOM 283 NZ LYS A 17 60.821 10.894 -12.386 1.00 2.52 N ATOM 0 H LYS A 17 64.728 6.396 -8.587 1.00 0.13 H new ATOM 0 HA LYS A 17 63.173 5.203 -10.637 1.00 0.15 H new ATOM 0 HB2 LYS A 17 63.155 7.573 -9.487 1.00 0.18 H new ATOM 0 HB3 LYS A 17 64.477 8.002 -10.554 1.00 0.18 H new ATOM 0 HG2 LYS A 17 63.027 7.422 -12.542 1.00 0.88 H new ATOM 0 HG3 LYS A 17 61.702 7.067 -11.451 1.00 0.88 H new ATOM 0 HD2 LYS A 17 61.899 9.436 -10.530 1.00 1.28 H new ATOM 0 HD3 LYS A 17 63.115 9.767 -11.748 1.00 1.28 H new ATOM 0 HE2 LYS A 17 61.470 9.230 -13.567 1.00 1.99 H new ATOM 0 HE3 LYS A 17 60.255 8.829 -12.370 1.00 1.99 H new ATOM 0 HZ1 LYS A 17 60.072 11.167 -13.055 1.00 2.52 H new ATOM 0 HZ2 LYS A 17 60.497 11.069 -11.413 1.00 2.52 H new ATOM 0 HZ3 LYS A 17 61.675 11.458 -12.573 1.00 2.52 H new ATOM 297 N ALA A 18 66.185 5.555 -11.633 1.00 0.13 N ATOM 298 CA ALA A 18 67.072 5.337 -12.819 1.00 0.14 C ATOM 299 C ALA A 18 67.255 3.836 -13.082 1.00 0.14 C ATOM 300 O ALA A 18 68.201 3.430 -13.731 1.00 0.16 O ATOM 301 CB ALA A 18 68.408 5.977 -12.433 1.00 0.15 C ATOM 0 H ALA A 18 66.669 5.609 -10.737 1.00 0.13 H new ATOM 0 HA ALA A 18 66.656 5.769 -13.729 1.00 0.14 H new ATOM 0 HB1 ALA A 18 69.117 5.860 -13.252 1.00 0.15 H new ATOM 0 HB2 ALA A 18 68.258 7.038 -12.231 1.00 0.15 H new ATOM 0 HB3 ALA A 18 68.801 5.489 -11.541 1.00 0.15 H new ATOM 307 N ASP A 19 66.354 3.009 -12.582 1.00 0.13 N ATOM 308 CA ASP A 19 66.519 1.519 -12.680 1.00 0.14 C ATOM 309 C ASP A 19 67.877 1.107 -12.108 1.00 0.12 C ATOM 310 O ASP A 19 68.506 0.176 -12.575 1.00 0.15 O ATOM 311 CB ASP A 19 66.418 1.170 -14.172 1.00 0.19 C ATOM 312 CG ASP A 19 64.983 1.395 -14.654 1.00 0.23 C ATOM 313 OD1 ASP A 19 64.409 2.410 -14.294 1.00 0.69 O ATOM 314 OD2 ASP A 19 64.482 0.550 -15.376 1.00 0.80 O ATOM 0 H ASP A 19 65.504 3.310 -12.106 1.00 0.13 H new ATOM 0 HA ASP A 19 65.756 0.989 -12.110 1.00 0.14 H new ATOM 0 HB2 ASP A 19 67.107 1.787 -14.748 1.00 0.19 H new ATOM 0 HB3 ASP A 19 66.709 0.132 -14.334 1.00 0.19 H new ATOM 319 N ILE A 20 68.323 1.807 -11.093 1.00 0.11 N ATOM 320 CA ILE A 20 69.623 1.455 -10.443 1.00 0.14 C ATOM 321 C ILE A 20 69.345 0.718 -9.135 1.00 0.12 C ATOM 322 O ILE A 20 68.419 1.050 -8.420 1.00 0.12 O ATOM 323 CB ILE A 20 70.333 2.790 -10.163 1.00 0.17 C ATOM 324 CG1 ILE A 20 70.485 3.588 -11.466 1.00 0.17 C ATOM 325 CG2 ILE A 20 71.723 2.513 -9.574 1.00 0.23 C ATOM 326 CD1 ILE A 20 71.070 4.974 -11.167 1.00 0.23 C ATOM 0 H ILE A 20 67.841 2.609 -10.686 1.00 0.11 H new ATOM 0 HA ILE A 20 70.236 0.809 -11.071 1.00 0.14 H new ATOM 0 HB ILE A 20 69.739 3.369 -9.455 1.00 0.17 H new ATOM 0 HG12 ILE A 20 71.135 3.051 -12.157 1.00 0.17 H new ATOM 0 HG13 ILE A 20 69.516 3.691 -11.954 1.00 0.17 H new ATOM 0 HG21 ILE A 20 72.229 3.458 -9.375 1.00 0.23 H new ATOM 0 HG22 ILE A 20 71.619 1.954 -8.644 1.00 0.23 H new ATOM 0 HG23 ILE A 20 72.310 1.930 -10.284 1.00 0.23 H new ATOM 0 HD11 ILE A 20 71.174 5.533 -12.097 1.00 0.23 H new ATOM 0 HD12 ILE A 20 70.404 5.512 -10.493 1.00 0.23 H new ATOM 0 HD13 ILE A 20 72.048 4.863 -10.699 1.00 0.23 H new ATOM 338 N ARG A 21 70.137 -0.273 -8.817 1.00 0.12 N ATOM 339 CA ARG A 21 69.913 -1.030 -7.552 1.00 0.11 C ATOM 340 C ARG A 21 70.956 -0.624 -6.510 1.00 0.10 C ATOM 341 O ARG A 21 72.146 -0.782 -6.713 1.00 0.12 O ATOM 342 CB ARG A 21 70.071 -2.502 -7.934 1.00 0.12 C ATOM 343 CG ARG A 21 69.636 -3.385 -6.762 1.00 0.14 C ATOM 344 CD ARG A 21 69.945 -4.851 -7.080 1.00 0.27 C ATOM 345 NE ARG A 21 69.000 -5.230 -8.180 1.00 1.21 N ATOM 346 CZ ARG A 21 68.782 -6.492 -8.494 1.00 1.75 C ATOM 347 NH1 ARG A 21 69.385 -7.474 -7.862 1.00 2.34 N ATOM 348 NH2 ARG A 21 67.949 -6.774 -9.459 1.00 2.23 N ATOM 0 H ARG A 21 70.928 -0.590 -9.378 1.00 0.12 H new ATOM 0 HA ARG A 21 68.934 -0.832 -7.116 1.00 0.11 H new ATOM 0 HB2 ARG A 21 69.469 -2.726 -8.815 1.00 0.12 H new ATOM 0 HB3 ARG A 21 71.108 -2.711 -8.195 1.00 0.12 H new ATOM 0 HG2 ARG A 21 70.156 -3.082 -5.853 1.00 0.14 H new ATOM 0 HG3 ARG A 21 68.569 -3.260 -6.576 1.00 0.14 H new ATOM 0 HD2 ARG A 21 70.982 -4.975 -7.393 1.00 0.27 H new ATOM 0 HD3 ARG A 21 69.800 -5.482 -6.203 1.00 0.27 H new ATOM 0 HE ARG A 21 68.515 -4.496 -8.697 1.00 1.21 H new ATOM 0 HH11 ARG A 21 70.040 -7.269 -7.108 1.00 2.34 H new ATOM 0 HH12 ARG A 21 69.198 -8.441 -8.126 1.00 2.34 H new ATOM 0 HH21 ARG A 21 67.476 -6.022 -9.960 1.00 2.23 H new ATOM 0 HH22 ARG A 21 67.772 -7.746 -9.712 1.00 2.23 H new ATOM 362 N TYR A 22 70.507 -0.104 -5.397 1.00 0.09 N ATOM 363 CA TYR A 22 71.429 0.211 -4.267 1.00 0.08 C ATOM 364 C TYR A 22 71.092 -0.691 -3.081 1.00 0.08 C ATOM 365 O TYR A 22 69.956 -1.081 -2.903 1.00 0.10 O ATOM 366 CB TYR A 22 71.143 1.670 -3.911 1.00 0.09 C ATOM 367 CG TYR A 22 71.554 2.664 -4.974 1.00 0.10 C ATOM 368 CD1 TYR A 22 72.856 3.219 -4.955 1.00 0.10 C ATOM 369 CD2 TYR A 22 70.636 3.047 -5.986 1.00 0.11 C ATOM 370 CE1 TYR A 22 73.243 4.156 -5.944 1.00 0.12 C ATOM 371 CE2 TYR A 22 71.023 3.984 -6.977 1.00 0.13 C ATOM 372 CZ TYR A 22 72.326 4.538 -6.956 1.00 0.13 C ATOM 373 OH TYR A 22 72.705 5.452 -7.918 1.00 0.15 O ATOM 0 H TYR A 22 69.527 0.118 -5.222 1.00 0.09 H new ATOM 0 HA TYR A 22 72.477 0.055 -4.524 1.00 0.08 H new ATOM 0 HB2 TYR A 22 70.076 1.782 -3.719 1.00 0.09 H new ATOM 0 HB3 TYR A 22 71.661 1.913 -2.983 1.00 0.09 H new ATOM 0 HD1 TYR A 22 73.555 2.928 -4.185 1.00 0.10 H new ATOM 0 HD2 TYR A 22 69.642 2.625 -6.001 1.00 0.11 H new ATOM 0 HE1 TYR A 22 74.236 4.580 -5.927 1.00 0.12 H new ATOM 0 HE2 TYR A 22 70.324 4.275 -7.748 1.00 0.13 H new ATOM 0 HH TYR A 22 71.960 5.603 -8.537 1.00 0.15 H new ATOM 383 N GLU A 23 72.062 -1.026 -2.275 1.00 0.06 N ATOM 384 CA GLU A 23 71.773 -1.832 -1.048 1.00 0.06 C ATOM 385 C GLU A 23 72.621 -1.322 0.111 1.00 0.05 C ATOM 386 O GLU A 23 73.776 -0.990 -0.067 1.00 0.06 O ATOM 387 CB GLU A 23 72.166 -3.265 -1.414 1.00 0.07 C ATOM 388 CG GLU A 23 71.721 -4.219 -0.303 1.00 1.02 C ATOM 389 CD GLU A 23 72.206 -5.635 -0.619 1.00 0.99 C ATOM 390 OE1 GLU A 23 72.071 -6.047 -1.759 1.00 0.90 O ATOM 391 OE2 GLU A 23 72.707 -6.283 0.287 1.00 1.44 O ATOM 0 H GLU A 23 73.042 -0.778 -2.410 1.00 0.06 H new ATOM 0 HA GLU A 23 70.730 -1.767 -0.738 1.00 0.06 H new ATOM 0 HB2 GLU A 23 71.703 -3.550 -2.359 1.00 0.07 H new ATOM 0 HB3 GLU A 23 73.245 -3.332 -1.555 1.00 0.07 H new ATOM 0 HG2 GLU A 23 72.124 -3.891 0.655 1.00 1.02 H new ATOM 0 HG3 GLU A 23 70.635 -4.207 -0.213 1.00 1.02 H new ATOM 398 N GLY A 24 72.065 -1.264 1.296 1.00 0.06 N ATOM 399 CA GLY A 24 72.824 -0.683 2.445 1.00 0.06 C ATOM 400 C GLY A 24 72.104 -0.970 3.764 1.00 0.06 C ATOM 401 O GLY A 24 71.003 -1.488 3.780 1.00 0.06 O ATOM 0 H GLY A 24 71.124 -1.592 1.516 1.00 0.06 H new ATOM 0 HA2 GLY A 24 73.829 -1.103 2.474 1.00 0.06 H new ATOM 0 HA3 GLY A 24 72.932 0.393 2.310 1.00 0.06 H new ATOM 405 N ARG A 25 72.728 -0.633 4.868 1.00 0.06 N ATOM 406 CA ARG A 25 72.093 -0.870 6.204 1.00 0.06 C ATOM 407 C ARG A 25 71.162 0.290 6.570 1.00 0.06 C ATOM 408 O ARG A 25 71.492 1.445 6.372 1.00 0.06 O ATOM 409 CB ARG A 25 73.259 -0.944 7.194 1.00 0.07 C ATOM 410 CG ARG A 25 74.095 -2.194 6.909 1.00 0.11 C ATOM 411 CD ARG A 25 75.195 -2.325 7.967 1.00 0.83 C ATOM 412 NE ARG A 25 76.069 -3.448 7.495 1.00 1.26 N ATOM 413 CZ ARG A 25 76.914 -4.051 8.310 1.00 1.56 C ATOM 414 NH1 ARG A 25 77.035 -3.692 9.567 1.00 2.07 N ATOM 415 NH2 ARG A 25 77.650 -5.027 7.854 1.00 1.72 N ATOM 0 H ARG A 25 73.652 -0.203 4.901 1.00 0.06 H new ATOM 0 HA ARG A 25 71.489 -1.777 6.211 1.00 0.06 H new ATOM 0 HB2 ARG A 25 73.879 -0.052 7.108 1.00 0.07 H new ATOM 0 HB3 ARG A 25 72.881 -0.972 8.216 1.00 0.07 H new ATOM 0 HG2 ARG A 25 73.459 -3.079 6.918 1.00 0.11 H new ATOM 0 HG3 ARG A 25 74.538 -2.130 5.915 1.00 0.11 H new ATOM 0 HD2 ARG A 25 75.762 -1.399 8.061 1.00 0.83 H new ATOM 0 HD3 ARG A 25 74.773 -2.541 8.948 1.00 0.83 H new ATOM 0 HE ARG A 25 76.009 -3.752 6.523 1.00 1.26 H new ATOM 0 HH11 ARG A 25 76.468 -2.929 9.936 1.00 2.07 H new ATOM 0 HH12 ARG A 25 77.696 -4.176 10.174 1.00 2.07 H new ATOM 0 HH21 ARG A 25 77.568 -5.315 6.879 1.00 1.72 H new ATOM 0 HH22 ARG A 25 78.307 -5.502 8.473 1.00 1.72 H new ATOM 429 N LEU A 26 69.999 -0.012 7.101 1.00 0.08 N ATOM 430 CA LEU A 26 69.077 1.073 7.574 1.00 0.10 C ATOM 431 C LEU A 26 69.687 1.817 8.766 1.00 0.09 C ATOM 432 O LEU A 26 69.921 1.237 9.811 1.00 0.11 O ATOM 433 CB LEU A 26 67.812 0.336 8.028 1.00 0.14 C ATOM 434 CG LEU A 26 66.702 1.350 8.317 1.00 0.16 C ATOM 435 CD1 LEU A 26 66.089 1.833 7.000 1.00 0.22 C ATOM 436 CD2 LEU A 26 65.618 0.685 9.170 1.00 0.24 C ATOM 0 H LEU A 26 69.649 -0.962 7.227 1.00 0.08 H new ATOM 0 HA LEU A 26 68.885 1.810 6.795 1.00 0.10 H new ATOM 0 HB2 LEU A 26 67.489 -0.362 7.256 1.00 0.14 H new ATOM 0 HB3 LEU A 26 68.023 -0.252 8.921 1.00 0.14 H new ATOM 0 HG LEU A 26 67.120 2.202 8.854 1.00 0.16 H new ATOM 0 HD11 LEU A 26 65.299 2.555 7.209 1.00 0.22 H new ATOM 0 HD12 LEU A 26 66.860 2.305 6.391 1.00 0.22 H new ATOM 0 HD13 LEU A 26 65.671 0.983 6.460 1.00 0.22 H new ATOM 0 HD21 LEU A 26 64.826 1.405 9.378 1.00 0.24 H new ATOM 0 HD22 LEU A 26 65.203 -0.167 8.631 1.00 0.24 H new ATOM 0 HD23 LEU A 26 66.053 0.343 10.109 1.00 0.24 H new ATOM 448 N TYR A 27 69.944 3.095 8.616 1.00 0.08 N ATOM 449 CA TYR A 27 70.532 3.880 9.743 1.00 0.08 C ATOM 450 C TYR A 27 69.445 4.683 10.464 1.00 0.08 C ATOM 451 O TYR A 27 69.333 4.635 11.675 1.00 0.09 O ATOM 452 CB TYR A 27 71.545 4.818 9.087 1.00 0.07 C ATOM 453 CG TYR A 27 72.419 5.541 10.082 1.00 0.10 C ATOM 454 CD1 TYR A 27 73.218 4.803 10.990 1.00 0.14 C ATOM 455 CD2 TYR A 27 72.440 6.957 10.111 1.00 0.09 C ATOM 456 CE1 TYR A 27 74.036 5.480 11.926 1.00 0.17 C ATOM 457 CE2 TYR A 27 73.259 7.634 11.048 1.00 0.12 C ATOM 458 CZ TYR A 27 74.058 6.895 11.955 1.00 0.15 C ATOM 459 OH TYR A 27 74.856 7.555 12.866 1.00 0.18 O ATOM 0 H TYR A 27 69.772 3.626 7.762 1.00 0.08 H new ATOM 0 HA TYR A 27 70.995 3.237 10.492 1.00 0.08 H new ATOM 0 HB2 TYR A 27 72.176 4.243 8.409 1.00 0.07 H new ATOM 0 HB3 TYR A 27 71.012 5.551 8.482 1.00 0.07 H new ATOM 0 HD1 TYR A 27 73.203 3.723 10.968 1.00 0.14 H new ATOM 0 HD2 TYR A 27 71.832 7.520 9.419 1.00 0.09 H new ATOM 0 HE1 TYR A 27 74.644 4.917 12.618 1.00 0.17 H new ATOM 0 HE2 TYR A 27 73.274 8.714 11.071 1.00 0.12 H new ATOM 0 HH TYR A 27 74.753 8.523 12.750 1.00 0.18 H new ATOM 469 N THR A 28 68.643 5.416 9.725 1.00 0.07 N ATOM 470 CA THR A 28 67.585 6.263 10.364 1.00 0.07 C ATOM 471 C THR A 28 66.430 6.499 9.385 1.00 0.07 C ATOM 472 O THR A 28 66.599 6.410 8.184 1.00 0.07 O ATOM 473 CB THR A 28 68.274 7.589 10.702 1.00 0.08 C ATOM 474 OG1 THR A 28 69.040 8.024 9.586 1.00 0.08 O ATOM 475 CG2 THR A 28 69.190 7.404 11.912 1.00 0.10 C ATOM 0 H THR A 28 68.676 5.464 8.707 1.00 0.07 H new ATOM 0 HA THR A 28 67.164 5.787 11.249 1.00 0.07 H new ATOM 0 HB THR A 28 67.517 8.337 10.937 1.00 0.08 H new ATOM 0 HG1 THR A 28 69.479 8.873 9.802 1.00 0.08 H new ATOM 0 HG21 THR A 28 69.677 8.350 12.148 1.00 0.10 H new ATOM 0 HG22 THR A 28 68.600 7.076 12.768 1.00 0.10 H new ATOM 0 HG23 THR A 28 69.947 6.653 11.684 1.00 0.10 H new ATOM 483 N VAL A 29 65.261 6.801 9.897 1.00 0.08 N ATOM 484 CA VAL A 29 64.078 7.034 9.010 1.00 0.09 C ATOM 485 C VAL A 29 63.214 8.176 9.571 1.00 0.10 C ATOM 486 O VAL A 29 63.110 8.349 10.771 1.00 0.12 O ATOM 487 CB VAL A 29 63.319 5.694 8.994 1.00 0.12 C ATOM 488 CG1 VAL A 29 62.818 5.345 10.402 1.00 0.15 C ATOM 489 CG2 VAL A 29 62.123 5.788 8.037 1.00 0.14 C ATOM 0 H VAL A 29 65.075 6.896 10.895 1.00 0.08 H new ATOM 0 HA VAL A 29 64.360 7.336 8.001 1.00 0.09 H new ATOM 0 HB VAL A 29 64.000 4.912 8.656 1.00 0.12 H new ATOM 0 HG11 VAL A 29 62.284 4.395 10.373 1.00 0.15 H new ATOM 0 HG12 VAL A 29 63.667 5.263 11.080 1.00 0.15 H new ATOM 0 HG13 VAL A 29 62.147 6.128 10.754 1.00 0.15 H new ATOM 0 HG21 VAL A 29 61.588 4.838 8.028 1.00 0.14 H new ATOM 0 HG22 VAL A 29 61.452 6.579 8.370 1.00 0.14 H new ATOM 0 HG23 VAL A 29 62.478 6.014 7.032 1.00 0.14 H new ATOM 499 N ASP A 30 62.600 8.949 8.707 1.00 0.10 N ATOM 500 CA ASP A 30 61.703 10.048 9.173 1.00 0.12 C ATOM 501 C ASP A 30 60.339 9.931 8.470 1.00 0.13 C ATOM 502 O ASP A 30 60.215 10.326 7.326 1.00 0.12 O ATOM 503 CB ASP A 30 62.412 11.338 8.757 1.00 0.11 C ATOM 504 CG ASP A 30 61.859 12.510 9.570 1.00 0.18 C ATOM 505 OD1 ASP A 30 60.650 12.677 9.585 1.00 0.91 O ATOM 506 OD2 ASP A 30 62.653 13.220 10.165 1.00 0.75 O ATOM 0 H ASP A 30 62.684 8.863 7.694 1.00 0.10 H new ATOM 0 HA ASP A 30 61.519 10.016 10.247 1.00 0.12 H new ATOM 0 HB2 ASP A 30 63.486 11.244 8.919 1.00 0.11 H new ATOM 0 HB3 ASP A 30 62.265 11.519 7.692 1.00 0.11 H new ATOM 511 N PRO A 31 59.354 9.388 9.170 1.00 0.16 N ATOM 512 CA PRO A 31 58.031 9.123 8.537 1.00 0.19 C ATOM 513 C PRO A 31 57.380 10.431 8.072 1.00 0.19 C ATOM 514 O PRO A 31 56.826 10.504 6.989 1.00 0.19 O ATOM 515 CB PRO A 31 57.206 8.467 9.647 1.00 0.23 C ATOM 516 CG PRO A 31 57.917 8.793 10.922 1.00 0.48 C ATOM 517 CD PRO A 31 59.369 8.981 10.584 1.00 0.19 C ATOM 0 HA PRO A 31 58.110 8.493 7.651 1.00 0.19 H new ATOM 0 HB2 PRO A 31 56.186 8.852 9.657 1.00 0.23 H new ATOM 0 HB3 PRO A 31 57.138 7.389 9.500 1.00 0.23 H new ATOM 0 HG2 PRO A 31 57.506 9.697 11.372 1.00 0.48 H new ATOM 0 HG3 PRO A 31 57.792 7.990 11.649 1.00 0.48 H new ATOM 0 HD2 PRO A 31 59.830 9.742 11.214 1.00 0.19 H new ATOM 0 HD3 PRO A 31 59.935 8.061 10.729 1.00 0.19 H new ATOM 525 N GLN A 32 57.455 11.464 8.869 1.00 0.19 N ATOM 526 CA GLN A 32 56.688 12.713 8.555 1.00 0.21 C ATOM 527 C GLN A 32 57.441 13.547 7.510 1.00 0.19 C ATOM 528 O GLN A 32 56.846 14.341 6.804 1.00 0.20 O ATOM 529 CB GLN A 32 56.566 13.469 9.880 1.00 0.24 C ATOM 530 CG GLN A 32 55.602 14.646 9.710 1.00 1.09 C ATOM 531 CD GLN A 32 54.158 14.148 9.803 1.00 1.29 C ATOM 532 OE1 GLN A 32 53.847 13.056 9.366 1.00 1.37 O ATOM 533 NE2 GLN A 32 53.253 14.907 10.359 1.00 2.16 N ATOM 0 H GLN A 32 58.012 11.500 9.723 1.00 0.19 H new ATOM 0 HA GLN A 32 55.706 12.496 8.135 1.00 0.21 H new ATOM 0 HB2 GLN A 32 56.205 12.800 10.661 1.00 0.24 H new ATOM 0 HB3 GLN A 32 57.545 13.830 10.197 1.00 0.24 H new ATOM 0 HG2 GLN A 32 55.789 15.395 10.479 1.00 1.09 H new ATOM 0 HG3 GLN A 32 55.769 15.129 8.747 1.00 1.09 H new ATOM 0 HE21 GLN A 32 53.511 15.823 10.726 1.00 2.16 H new ATOM 0 HE22 GLN A 32 52.288 14.584 10.426 1.00 2.16 H new ATOM 542 N GLU A 33 58.737 13.376 7.408 1.00 0.16 N ATOM 543 CA GLU A 33 59.502 14.052 6.314 1.00 0.16 C ATOM 544 C GLU A 33 59.515 13.200 5.032 1.00 0.14 C ATOM 545 O GLU A 33 60.109 13.586 4.043 1.00 0.17 O ATOM 546 CB GLU A 33 60.925 14.210 6.860 1.00 0.17 C ATOM 547 CG GLU A 33 60.922 15.183 8.046 1.00 0.21 C ATOM 548 CD GLU A 33 60.621 16.602 7.554 1.00 0.90 C ATOM 549 OE1 GLU A 33 61.150 16.977 6.520 1.00 1.59 O ATOM 550 OE2 GLU A 33 59.864 17.290 8.221 1.00 1.26 O ATOM 0 H GLU A 33 59.297 12.798 8.034 1.00 0.16 H new ATOM 0 HA GLU A 33 59.051 15.007 6.044 1.00 0.16 H new ATOM 0 HB2 GLU A 33 61.313 13.241 7.174 1.00 0.17 H new ATOM 0 HB3 GLU A 33 61.586 14.580 6.076 1.00 0.17 H new ATOM 0 HG2 GLU A 33 60.175 14.876 8.778 1.00 0.21 H new ATOM 0 HG3 GLU A 33 61.889 15.160 8.549 1.00 0.21 H new ATOM 557 N CYS A 34 58.866 12.043 5.033 1.00 0.14 N ATOM 558 CA CYS A 34 58.907 11.126 3.837 1.00 0.14 C ATOM 559 C CYS A 34 60.351 10.895 3.363 1.00 0.12 C ATOM 560 O CYS A 34 60.621 10.827 2.176 1.00 0.12 O ATOM 561 CB CYS A 34 58.090 11.840 2.754 1.00 0.16 C ATOM 562 SG CYS A 34 56.325 11.640 3.097 1.00 0.74 S ATOM 0 H CYS A 34 58.310 11.698 5.815 1.00 0.14 H new ATOM 0 HA CYS A 34 58.503 10.142 4.073 1.00 0.14 H new ATOM 0 HB2 CYS A 34 58.348 12.899 2.728 1.00 0.16 H new ATOM 0 HB3 CYS A 34 58.329 11.429 1.773 1.00 0.16 H new ATOM 0 HG CYS A 34 55.633 12.248 2.179 1.00 0.74 H new ATOM 568 N THR A 35 61.279 10.772 4.284 1.00 0.10 N ATOM 569 CA THR A 35 62.718 10.673 3.892 1.00 0.09 C ATOM 570 C THR A 35 63.413 9.572 4.691 1.00 0.09 C ATOM 571 O THR A 35 62.989 9.223 5.775 1.00 0.09 O ATOM 572 CB THR A 35 63.319 12.042 4.229 1.00 0.09 C ATOM 573 OG1 THR A 35 62.910 12.430 5.533 1.00 0.12 O ATOM 574 CG2 THR A 35 62.849 13.088 3.211 1.00 0.14 C ATOM 0 H THR A 35 61.100 10.736 5.288 1.00 0.10 H new ATOM 0 HA THR A 35 62.839 10.423 2.838 1.00 0.09 H new ATOM 0 HB THR A 35 64.406 11.974 4.191 1.00 0.09 H new ATOM 0 HG1 THR A 35 63.295 13.305 5.750 1.00 0.12 H new ATOM 0 HG21 THR A 35 63.281 14.057 3.459 1.00 0.14 H new ATOM 0 HG22 THR A 35 63.169 12.793 2.212 1.00 0.14 H new ATOM 0 HG23 THR A 35 61.762 13.158 3.237 1.00 0.14 H new ATOM 582 N ILE A 36 64.478 9.027 4.161 1.00 0.09 N ATOM 583 CA ILE A 36 65.251 7.988 4.909 1.00 0.09 C ATOM 584 C ILE A 36 66.751 8.171 4.663 1.00 0.09 C ATOM 585 O ILE A 36 67.156 8.826 3.722 1.00 0.09 O ATOM 586 CB ILE A 36 64.764 6.631 4.366 1.00 0.11 C ATOM 587 CG1 ILE A 36 64.977 6.553 2.846 1.00 0.12 C ATOM 588 CG2 ILE A 36 63.273 6.459 4.678 1.00 0.13 C ATOM 589 CD1 ILE A 36 64.783 5.110 2.375 1.00 0.15 C ATOM 0 H ILE A 36 64.848 9.257 3.239 1.00 0.09 H new ATOM 0 HA ILE A 36 65.095 8.059 5.985 1.00 0.09 H new ATOM 0 HB ILE A 36 65.337 5.837 4.845 1.00 0.11 H new ATOM 0 HG12 ILE A 36 64.273 7.211 2.336 1.00 0.12 H new ATOM 0 HG13 ILE A 36 65.979 6.898 2.591 1.00 0.12 H new ATOM 0 HG21 ILE A 36 62.929 5.499 4.294 1.00 0.13 H new ATOM 0 HG22 ILE A 36 63.121 6.494 5.757 1.00 0.13 H new ATOM 0 HG23 ILE A 36 62.707 7.262 4.206 1.00 0.13 H new ATOM 0 HD11 ILE A 36 64.934 5.056 1.297 1.00 0.15 H new ATOM 0 HD12 ILE A 36 65.504 4.464 2.876 1.00 0.15 H new ATOM 0 HD13 ILE A 36 63.772 4.781 2.617 1.00 0.15 H new ATOM 601 N ALA A 37 67.574 7.596 5.504 1.00 0.08 N ATOM 602 CA ALA A 37 69.049 7.660 5.282 1.00 0.08 C ATOM 603 C ALA A 37 69.669 6.286 5.536 1.00 0.08 C ATOM 604 O ALA A 37 69.445 5.678 6.569 1.00 0.08 O ATOM 605 CB ALA A 37 69.571 8.686 6.291 1.00 0.09 C ATOM 0 H ALA A 37 67.285 7.083 6.337 1.00 0.08 H new ATOM 0 HA ALA A 37 69.302 7.945 4.261 1.00 0.08 H new ATOM 0 HB1 ALA A 37 70.651 8.784 6.184 1.00 0.09 H new ATOM 0 HB2 ALA A 37 69.099 9.651 6.106 1.00 0.09 H new ATOM 0 HB3 ALA A 37 69.335 8.354 7.302 1.00 0.09 H new ATOM 611 N LEU A 38 70.443 5.799 4.599 1.00 0.07 N ATOM 612 CA LEU A 38 71.057 4.447 4.745 1.00 0.07 C ATOM 613 C LEU A 38 72.560 4.589 4.963 1.00 0.06 C ATOM 614 O LEU A 38 73.183 5.488 4.430 1.00 0.08 O ATOM 615 CB LEU A 38 70.773 3.730 3.421 1.00 0.07 C ATOM 616 CG LEU A 38 69.264 3.553 3.232 1.00 0.09 C ATOM 617 CD1 LEU A 38 68.981 3.065 1.810 1.00 0.11 C ATOM 618 CD2 LEU A 38 68.739 2.524 4.237 1.00 0.14 C ATOM 0 H LEU A 38 70.677 6.285 3.733 1.00 0.07 H new ATOM 0 HA LEU A 38 70.654 3.896 5.595 1.00 0.07 H new ATOM 0 HB2 LEU A 38 71.186 4.304 2.592 1.00 0.07 H new ATOM 0 HB3 LEU A 38 71.265 2.757 3.412 1.00 0.07 H new ATOM 0 HG LEU A 38 68.765 4.508 3.395 1.00 0.09 H new ATOM 0 HD11 LEU A 38 67.907 2.939 1.676 1.00 0.11 H new ATOM 0 HD12 LEU A 38 69.353 3.797 1.093 1.00 0.11 H new ATOM 0 HD13 LEU A 38 69.481 2.111 1.647 1.00 0.11 H new ATOM 0 HD21 LEU A 38 67.665 2.399 4.102 1.00 0.14 H new ATOM 0 HD22 LEU A 38 69.239 1.569 4.075 1.00 0.14 H new ATOM 0 HD23 LEU A 38 68.939 2.871 5.251 1.00 0.14 H new ATOM 630 N SER A 39 73.147 3.711 5.736 1.00 0.05 N ATOM 631 CA SER A 39 74.607 3.821 6.026 1.00 0.06 C ATOM 632 C SER A 39 75.316 2.577 5.500 1.00 0.05 C ATOM 633 O SER A 39 74.722 1.520 5.409 1.00 0.05 O ATOM 634 CB SER A 39 74.707 3.899 7.550 1.00 0.08 C ATOM 635 OG SER A 39 74.245 2.678 8.114 1.00 0.08 O ATOM 0 H SER A 39 72.677 2.922 6.179 1.00 0.05 H new ATOM 0 HA SER A 39 75.070 4.687 5.553 1.00 0.06 H new ATOM 0 HB2 SER A 39 75.739 4.084 7.849 1.00 0.08 H new ATOM 0 HB3 SER A 39 74.113 4.733 7.923 1.00 0.08 H new ATOM 0 HG SER A 39 74.309 2.724 9.091 1.00 0.08 H new ATOM 641 N SER A 40 76.580 2.698 5.153 1.00 0.06 N ATOM 642 CA SER A 40 77.309 1.581 4.460 1.00 0.06 C ATOM 643 C SER A 40 76.443 1.002 3.328 1.00 0.06 C ATOM 644 O SER A 40 75.740 0.021 3.502 1.00 0.06 O ATOM 645 CB SER A 40 77.608 0.537 5.545 1.00 0.07 C ATOM 646 OG SER A 40 76.430 -0.188 5.870 1.00 0.07 O ATOM 0 H SER A 40 77.143 3.532 5.322 1.00 0.06 H new ATOM 0 HA SER A 40 78.233 1.920 3.992 1.00 0.06 H new ATOM 0 HB2 SER A 40 78.381 -0.148 5.197 1.00 0.07 H new ATOM 0 HB3 SER A 40 77.997 1.030 6.436 1.00 0.07 H new ATOM 0 HG SER A 40 75.690 0.119 5.305 1.00 0.07 H new ATOM 652 N VAL A 41 76.490 1.627 2.177 1.00 0.06 N ATOM 653 CA VAL A 41 75.663 1.169 1.021 1.00 0.06 C ATOM 654 C VAL A 41 76.521 1.144 -0.255 1.00 0.09 C ATOM 655 O VAL A 41 77.456 1.911 -0.396 1.00 0.10 O ATOM 656 CB VAL A 41 74.512 2.190 0.926 1.00 0.07 C ATOM 657 CG1 VAL A 41 75.065 3.581 0.604 1.00 0.10 C ATOM 658 CG2 VAL A 41 73.522 1.773 -0.171 1.00 0.07 C ATOM 0 H VAL A 41 77.072 2.443 1.989 1.00 0.06 H new ATOM 0 HA VAL A 41 75.276 0.158 1.145 1.00 0.06 H new ATOM 0 HB VAL A 41 73.997 2.218 1.886 1.00 0.07 H new ATOM 0 HG11 VAL A 41 74.243 4.293 0.539 1.00 0.10 H new ATOM 0 HG12 VAL A 41 75.752 3.891 1.391 1.00 0.10 H new ATOM 0 HG13 VAL A 41 75.594 3.551 -0.348 1.00 0.10 H new ATOM 0 HG21 VAL A 41 72.714 2.502 -0.228 1.00 0.07 H new ATOM 0 HG22 VAL A 41 74.039 1.728 -1.130 1.00 0.07 H new ATOM 0 HG23 VAL A 41 73.110 0.792 0.065 1.00 0.07 H new ATOM 668 N ARG A 42 76.206 0.268 -1.174 1.00 0.13 N ATOM 669 CA ARG A 42 76.965 0.205 -2.461 1.00 0.16 C ATOM 670 C ARG A 42 75.991 0.065 -3.637 1.00 0.11 C ATOM 671 O ARG A 42 74.897 -0.446 -3.482 1.00 0.09 O ATOM 672 CB ARG A 42 77.873 -1.031 -2.342 1.00 0.23 C ATOM 673 CG ARG A 42 77.035 -2.303 -2.143 1.00 1.16 C ATOM 674 CD ARG A 42 77.961 -3.483 -1.834 1.00 1.18 C ATOM 675 NE ARG A 42 77.071 -4.688 -1.797 1.00 1.99 N ATOM 676 CZ ARG A 42 77.466 -5.819 -1.243 1.00 2.33 C ATOM 677 NH1 ARG A 42 78.657 -5.943 -0.703 1.00 2.66 N ATOM 678 NH2 ARG A 42 76.653 -6.840 -1.233 1.00 2.70 N ATOM 0 H ARG A 42 75.450 -0.412 -1.088 1.00 0.13 H new ATOM 0 HA ARG A 42 77.549 1.107 -2.642 1.00 0.16 H new ATOM 0 HB2 ARG A 42 78.483 -1.128 -3.240 1.00 0.23 H new ATOM 0 HB3 ARG A 42 78.558 -0.906 -1.503 1.00 0.23 H new ATOM 0 HG2 ARG A 42 76.326 -2.160 -1.327 1.00 1.16 H new ATOM 0 HG3 ARG A 42 76.451 -2.510 -3.040 1.00 1.16 H new ATOM 0 HD2 ARG A 42 78.732 -3.587 -2.597 1.00 1.18 H new ATOM 0 HD3 ARG A 42 78.472 -3.343 -0.881 1.00 1.18 H new ATOM 0 HE ARG A 42 76.140 -4.633 -2.209 1.00 1.99 H new ATOM 0 HH11 ARG A 42 79.303 -5.153 -0.705 1.00 2.66 H new ATOM 0 HH12 ARG A 42 78.936 -6.829 -0.282 1.00 2.66 H new ATOM 0 HH21 ARG A 42 75.726 -6.758 -1.650 1.00 2.70 H new ATOM 0 HH22 ARG A 42 76.945 -7.720 -0.808 1.00 2.70 H new ATOM 692 N SER A 43 76.380 0.519 -4.804 1.00 0.14 N ATOM 693 CA SER A 43 75.489 0.398 -5.999 1.00 0.12 C ATOM 694 C SER A 43 76.024 -0.689 -6.937 1.00 0.13 C ATOM 695 O SER A 43 77.217 -0.800 -7.151 1.00 0.16 O ATOM 696 CB SER A 43 75.539 1.770 -6.673 1.00 0.19 C ATOM 697 OG SER A 43 76.832 1.978 -7.225 1.00 0.24 O ATOM 0 H SER A 43 77.278 0.969 -4.980 1.00 0.14 H new ATOM 0 HA SER A 43 74.469 0.118 -5.734 1.00 0.12 H new ATOM 0 HB2 SER A 43 74.783 1.830 -7.456 1.00 0.19 H new ATOM 0 HB3 SER A 43 75.311 2.552 -5.949 1.00 0.19 H new ATOM 0 HG SER A 43 76.865 2.856 -7.659 1.00 0.24 H new ATOM 703 N PHE A 44 75.148 -1.489 -7.497 1.00 0.19 N ATOM 704 CA PHE A 44 75.608 -2.656 -8.315 1.00 0.27 C ATOM 705 C PHE A 44 75.947 -2.221 -9.744 1.00 0.31 C ATOM 706 O PHE A 44 76.899 -2.702 -10.330 1.00 0.33 O ATOM 707 CB PHE A 44 74.434 -3.636 -8.320 1.00 0.37 C ATOM 708 CG PHE A 44 74.190 -4.291 -6.980 1.00 0.42 C ATOM 709 CD1 PHE A 44 75.024 -5.349 -6.547 1.00 0.49 C ATOM 710 CD2 PHE A 44 73.128 -3.845 -6.157 1.00 0.48 C ATOM 711 CE1 PHE A 44 74.796 -5.963 -5.292 1.00 0.58 C ATOM 712 CE2 PHE A 44 72.899 -4.458 -4.901 1.00 0.55 C ATOM 713 CZ PHE A 44 73.734 -5.518 -4.468 1.00 0.59 C ATOM 0 H PHE A 44 74.136 -1.385 -7.423 1.00 0.19 H new ATOM 0 HA PHE A 44 76.512 -3.103 -7.902 1.00 0.27 H new ATOM 0 HB2 PHE A 44 73.531 -3.108 -8.627 1.00 0.37 H new ATOM 0 HB3 PHE A 44 74.620 -4.409 -9.065 1.00 0.37 H new ATOM 0 HD1 PHE A 44 75.835 -5.688 -7.174 1.00 0.49 H new ATOM 0 HD2 PHE A 44 72.492 -3.037 -6.487 1.00 0.48 H new ATOM 0 HE1 PHE A 44 75.432 -6.771 -4.963 1.00 0.58 H new ATOM 0 HE2 PHE A 44 72.088 -4.118 -4.274 1.00 0.55 H new ATOM 0 HZ PHE A 44 73.560 -5.986 -3.510 1.00 0.59 H new ATOM 723 N GLY A 45 75.181 -1.317 -10.309 1.00 0.34 N ATOM 724 CA GLY A 45 75.506 -0.811 -11.673 1.00 0.43 C ATOM 725 C GLY A 45 74.329 -0.012 -12.242 1.00 0.51 C ATOM 726 O GLY A 45 73.246 0.003 -11.687 1.00 0.49 O ATOM 0 H GLY A 45 74.348 -0.911 -9.883 1.00 0.34 H new ATOM 0 HA2 GLY A 45 76.395 -0.181 -11.632 1.00 0.43 H new ATOM 0 HA3 GLY A 45 75.738 -1.647 -12.332 1.00 0.43 H new ATOM 730 N THR A 46 74.549 0.650 -13.350 1.00 0.64 N ATOM 731 CA THR A 46 73.439 1.363 -14.063 1.00 0.79 C ATOM 732 C THR A 46 73.232 0.778 -15.473 1.00 0.96 C ATOM 733 O THR A 46 72.459 1.302 -16.252 1.00 1.13 O ATOM 734 CB THR A 46 73.878 2.831 -14.150 1.00 0.85 C ATOM 735 OG1 THR A 46 75.283 2.906 -14.357 1.00 1.00 O ATOM 736 CG2 THR A 46 73.509 3.563 -12.853 1.00 0.72 C ATOM 0 H THR A 46 75.462 0.729 -13.798 1.00 0.64 H new ATOM 0 HA THR A 46 72.491 1.255 -13.535 1.00 0.79 H new ATOM 0 HB THR A 46 73.367 3.304 -14.988 1.00 0.85 H new ATOM 0 HG1 THR A 46 75.556 3.846 -14.413 1.00 1.00 H new ATOM 0 HG21 THR A 46 73.823 4.605 -12.921 1.00 0.72 H new ATOM 0 HG22 THR A 46 72.430 3.518 -12.704 1.00 0.72 H new ATOM 0 HG23 THR A 46 74.011 3.087 -12.011 1.00 0.72 H new ATOM 744 N GLU A 47 73.920 -0.300 -15.800 1.00 0.96 N ATOM 745 CA GLU A 47 74.020 -0.777 -17.224 1.00 1.11 C ATOM 746 C GLU A 47 72.649 -0.852 -17.920 1.00 1.32 C ATOM 747 O GLU A 47 72.565 -0.752 -19.130 1.00 1.44 O ATOM 748 CB GLU A 47 74.634 -2.178 -17.130 1.00 1.15 C ATOM 749 CG GLU A 47 75.032 -2.661 -18.527 1.00 1.85 C ATOM 750 CD GLU A 47 75.539 -4.101 -18.445 1.00 2.07 C ATOM 751 OE1 GLU A 47 76.555 -4.315 -17.804 1.00 2.01 O ATOM 752 OE2 GLU A 47 74.903 -4.966 -19.024 1.00 2.69 O ATOM 0 H GLU A 47 74.424 -0.878 -15.127 1.00 0.96 H new ATOM 0 HA GLU A 47 74.616 -0.085 -17.819 1.00 1.11 H new ATOM 0 HB2 GLU A 47 75.508 -2.160 -16.478 1.00 1.15 H new ATOM 0 HB3 GLU A 47 73.919 -2.870 -16.685 1.00 1.15 H new ATOM 0 HG2 GLU A 47 74.177 -2.603 -19.200 1.00 1.85 H new ATOM 0 HG3 GLU A 47 75.807 -2.015 -18.940 1.00 1.85 H new ATOM 759 N ASP A 48 71.581 -1.025 -17.176 1.00 1.42 N ATOM 760 CA ASP A 48 70.229 -1.141 -17.820 1.00 1.72 C ATOM 761 C ASP A 48 69.848 0.172 -18.518 1.00 1.83 C ATOM 762 O ASP A 48 69.616 0.199 -19.713 1.00 1.96 O ATOM 763 CB ASP A 48 69.255 -1.437 -16.674 1.00 1.90 C ATOM 764 CG ASP A 48 69.562 -2.813 -16.077 1.00 1.30 C ATOM 765 OD1 ASP A 48 69.814 -3.729 -16.843 1.00 1.41 O ATOM 766 OD2 ASP A 48 69.540 -2.928 -14.862 1.00 1.64 O ATOM 0 H ASP A 48 71.585 -1.091 -16.158 1.00 1.42 H new ATOM 0 HA ASP A 48 70.212 -1.921 -18.581 1.00 1.72 H new ATOM 0 HB2 ASP A 48 69.340 -0.669 -15.905 1.00 1.90 H new ATOM 0 HB3 ASP A 48 68.229 -1.410 -17.040 1.00 1.90 H new ATOM 771 N ARG A 49 69.784 1.253 -17.781 1.00 1.84 N ATOM 772 CA ARG A 49 69.493 2.586 -18.404 1.00 2.10 C ATOM 773 C ARG A 49 70.789 3.347 -18.731 1.00 2.01 C ATOM 774 O ARG A 49 70.751 4.517 -19.069 1.00 2.30 O ATOM 775 CB ARG A 49 68.676 3.346 -17.359 1.00 2.30 C ATOM 776 CG ARG A 49 67.267 2.754 -17.284 1.00 2.60 C ATOM 777 CD ARG A 49 66.348 3.713 -16.524 1.00 3.17 C ATOM 778 NE ARG A 49 66.212 4.910 -17.412 1.00 3.73 N ATOM 779 CZ ARG A 49 65.439 4.890 -18.483 1.00 4.39 C ATOM 780 NH1 ARG A 49 64.767 3.817 -18.829 1.00 4.83 N ATOM 781 NH2 ARG A 49 65.345 5.965 -19.218 1.00 4.87 N ATOM 0 H ARG A 49 69.921 1.272 -16.770 1.00 1.84 H new ATOM 0 HA ARG A 49 68.958 2.476 -19.348 1.00 2.10 H new ATOM 0 HB2 ARG A 49 69.161 3.282 -16.385 1.00 2.30 H new ATOM 0 HB3 ARG A 49 68.625 4.403 -17.620 1.00 2.30 H new ATOM 0 HG2 ARG A 49 66.880 2.582 -18.288 1.00 2.60 H new ATOM 0 HG3 ARG A 49 67.294 1.786 -16.783 1.00 2.60 H new ATOM 0 HD2 ARG A 49 65.378 3.256 -16.327 1.00 3.17 H new ATOM 0 HD3 ARG A 49 66.774 3.985 -15.558 1.00 3.17 H new ATOM 0 HE ARG A 49 66.728 5.760 -17.185 1.00 3.73 H new ATOM 0 HH11 ARG A 49 64.834 2.969 -18.265 1.00 4.83 H new ATOM 0 HH12 ARG A 49 64.178 3.831 -19.661 1.00 4.83 H new ATOM 0 HH21 ARG A 49 65.864 6.805 -18.962 1.00 4.87 H new ATOM 0 HH22 ARG A 49 64.752 5.965 -20.048 1.00 4.87 H new ATOM 795 N ASP A 50 71.929 2.702 -18.637 1.00 1.74 N ATOM 796 CA ASP A 50 73.234 3.442 -18.718 1.00 1.79 C ATOM 797 C ASP A 50 73.378 4.183 -20.056 1.00 2.02 C ATOM 798 O ASP A 50 72.556 4.052 -20.945 1.00 2.14 O ATOM 799 CB ASP A 50 74.328 2.367 -18.579 1.00 1.58 C ATOM 800 CG ASP A 50 74.281 1.376 -19.758 1.00 1.37 C ATOM 801 OD1 ASP A 50 73.266 1.322 -20.436 1.00 1.54 O ATOM 802 OD2 ASP A 50 75.267 0.685 -19.958 1.00 1.60 O ATOM 0 H ASP A 50 72.014 1.694 -18.508 1.00 1.74 H new ATOM 0 HA ASP A 50 73.303 4.201 -17.939 1.00 1.79 H new ATOM 0 HB2 ASP A 50 75.308 2.843 -18.538 1.00 1.58 H new ATOM 0 HB3 ASP A 50 74.196 1.828 -17.641 1.00 1.58 H new ATOM 807 N THR A 51 74.424 4.960 -20.187 1.00 2.22 N ATOM 808 CA THR A 51 74.733 5.617 -21.495 1.00 2.52 C ATOM 809 C THR A 51 75.398 4.609 -22.432 1.00 2.34 C ATOM 810 O THR A 51 75.857 3.566 -22.004 1.00 2.04 O ATOM 811 CB THR A 51 75.697 6.759 -21.161 1.00 2.88 C ATOM 812 OG1 THR A 51 75.162 7.533 -20.097 1.00 3.23 O ATOM 813 CG2 THR A 51 75.889 7.645 -22.392 1.00 3.20 C ATOM 0 H THR A 51 75.083 5.169 -19.437 1.00 2.22 H new ATOM 0 HA THR A 51 73.837 5.985 -21.995 1.00 2.52 H new ATOM 0 HB THR A 51 76.660 6.345 -20.861 1.00 2.88 H new ATOM 0 HG1 THR A 51 75.779 8.263 -19.881 1.00 3.23 H new ATOM 0 HG21 THR A 51 76.575 8.457 -22.152 1.00 3.20 H new ATOM 0 HG22 THR A 51 76.301 7.051 -23.207 1.00 3.20 H new ATOM 0 HG23 THR A 51 74.928 8.060 -22.695 1.00 3.20 H new ATOM 821 N GLN A 52 75.452 4.913 -23.707 1.00 2.61 N ATOM 822 CA GLN A 52 76.065 3.954 -24.683 1.00 2.60 C ATOM 823 C GLN A 52 77.607 3.996 -24.619 1.00 2.63 C ATOM 824 O GLN A 52 78.277 3.329 -25.387 1.00 2.72 O ATOM 825 CB GLN A 52 75.558 4.393 -26.069 1.00 2.97 C ATOM 826 CG GLN A 52 76.091 5.788 -26.432 1.00 3.32 C ATOM 827 CD GLN A 52 75.297 6.342 -27.616 1.00 3.69 C ATOM 828 OE1 GLN A 52 74.184 6.804 -27.452 1.00 3.90 O ATOM 829 NE2 GLN A 52 75.824 6.318 -28.809 1.00 4.10 N ATOM 0 H GLN A 52 75.100 5.780 -24.114 1.00 2.61 H new ATOM 0 HA GLN A 52 75.783 2.925 -24.458 1.00 2.60 H new ATOM 0 HB2 GLN A 52 75.875 3.671 -26.822 1.00 2.97 H new ATOM 0 HB3 GLN A 52 74.468 4.403 -26.076 1.00 2.97 H new ATOM 0 HG2 GLN A 52 76.003 6.457 -25.576 1.00 3.32 H new ATOM 0 HG3 GLN A 52 77.150 5.731 -26.685 1.00 3.32 H new ATOM 0 HE21 GLN A 52 76.757 5.931 -28.946 1.00 4.10 H new ATOM 0 HE22 GLN A 52 75.303 6.687 -29.604 1.00 4.10 H new ATOM 838 N PHE A 53 78.172 4.770 -23.717 1.00 2.66 N ATOM 839 CA PHE A 53 79.645 4.704 -23.480 1.00 2.74 C ATOM 840 C PHE A 53 79.934 3.806 -22.272 1.00 2.45 C ATOM 841 O PHE A 53 79.103 3.648 -21.397 1.00 2.24 O ATOM 842 CB PHE A 53 80.067 6.146 -23.198 1.00 3.05 C ATOM 843 CG PHE A 53 80.297 6.964 -24.448 1.00 3.41 C ATOM 844 CD1 PHE A 53 79.292 7.039 -25.446 1.00 3.48 C ATOM 845 CD2 PHE A 53 81.519 7.660 -24.622 1.00 3.73 C ATOM 846 CE1 PHE A 53 79.512 7.807 -26.615 1.00 3.82 C ATOM 847 CE2 PHE A 53 81.737 8.427 -25.792 1.00 4.07 C ATOM 848 CZ PHE A 53 80.734 8.500 -26.789 1.00 4.10 C ATOM 0 H PHE A 53 77.672 5.443 -23.137 1.00 2.66 H new ATOM 0 HA PHE A 53 80.188 4.286 -24.327 1.00 2.74 H new ATOM 0 HB2 PHE A 53 79.299 6.629 -22.594 1.00 3.05 H new ATOM 0 HB3 PHE A 53 80.982 6.139 -22.605 1.00 3.05 H new ATOM 0 HD1 PHE A 53 78.359 6.511 -25.314 1.00 3.48 H new ATOM 0 HD2 PHE A 53 82.284 7.605 -23.862 1.00 3.73 H new ATOM 0 HE1 PHE A 53 78.747 7.864 -27.375 1.00 3.82 H new ATOM 0 HE2 PHE A 53 82.669 8.957 -25.924 1.00 4.07 H new ATOM 0 HZ PHE A 53 80.901 9.084 -27.682 1.00 4.10 H new ATOM 858 N GLN A 54 81.106 3.220 -22.220 1.00 2.49 N ATOM 859 CA GLN A 54 81.418 2.246 -21.124 1.00 2.29 C ATOM 860 C GLN A 54 81.505 2.964 -19.773 1.00 2.23 C ATOM 861 O GLN A 54 82.076 4.034 -19.664 1.00 2.45 O ATOM 862 CB GLN A 54 82.775 1.638 -21.491 1.00 2.49 C ATOM 863 CG GLN A 54 82.634 0.802 -22.765 1.00 2.79 C ATOM 864 CD GLN A 54 83.999 0.230 -23.159 1.00 3.05 C ATOM 865 OE1 GLN A 54 85.015 0.872 -22.980 1.00 3.07 O ATOM 866 NE2 GLN A 54 84.064 -0.960 -23.691 1.00 3.57 N ATOM 0 H GLN A 54 81.861 3.373 -22.889 1.00 2.49 H new ATOM 0 HA GLN A 54 80.643 1.485 -21.030 1.00 2.29 H new ATOM 0 HB2 GLN A 54 83.510 2.428 -21.642 1.00 2.49 H new ATOM 0 HB3 GLN A 54 83.139 1.016 -20.674 1.00 2.49 H new ATOM 0 HG2 GLN A 54 81.922 -0.008 -22.604 1.00 2.79 H new ATOM 0 HG3 GLN A 54 82.239 1.417 -23.574 1.00 2.79 H new ATOM 0 HE21 GLN A 54 83.211 -1.499 -23.841 1.00 3.57 H new ATOM 0 HE22 GLN A 54 84.968 -1.351 -23.957 1.00 3.57 H new ATOM 875 N ILE A 55 80.938 2.378 -18.744 1.00 1.97 N ATOM 876 CA ILE A 55 81.034 2.977 -17.374 1.00 1.93 C ATOM 877 C ILE A 55 81.791 2.017 -16.447 1.00 1.92 C ATOM 878 O ILE A 55 81.560 0.821 -16.463 1.00 1.83 O ATOM 879 CB ILE A 55 79.582 3.164 -16.900 1.00 1.72 C ATOM 880 CG1 ILE A 55 78.827 4.076 -17.877 1.00 1.82 C ATOM 881 CG2 ILE A 55 79.572 3.810 -15.509 1.00 1.73 C ATOM 882 CD1 ILE A 55 77.329 4.037 -17.565 1.00 2.27 C ATOM 0 H ILE A 55 80.410 1.506 -18.795 1.00 1.97 H new ATOM 0 HA ILE A 55 81.573 3.924 -17.372 1.00 1.93 H new ATOM 0 HB ILE A 55 79.096 2.189 -16.859 1.00 1.72 H new ATOM 0 HG12 ILE A 55 79.199 5.098 -17.797 1.00 1.82 H new ATOM 0 HG13 ILE A 55 79.003 3.752 -18.903 1.00 1.82 H new ATOM 0 HG21 ILE A 55 78.542 3.941 -15.176 1.00 1.73 H new ATOM 0 HG22 ILE A 55 80.102 3.168 -14.806 1.00 1.73 H new ATOM 0 HG23 ILE A 55 80.065 4.781 -15.555 1.00 1.73 H new ATOM 0 HD11 ILE A 55 76.796 4.685 -18.260 1.00 2.27 H new ATOM 0 HD12 ILE A 55 76.962 3.016 -17.667 1.00 2.27 H new ATOM 0 HD13 ILE A 55 77.161 4.382 -16.545 1.00 2.27 H new ATOM 894 N ALA A 56 82.689 2.534 -15.645 1.00 2.08 N ATOM 895 CA ALA A 56 83.484 1.652 -14.733 1.00 2.13 C ATOM 896 C ALA A 56 82.705 1.400 -13.427 1.00 1.80 C ATOM 897 O ALA A 56 82.100 2.314 -12.901 1.00 1.74 O ATOM 898 CB ALA A 56 84.771 2.429 -14.445 1.00 2.49 C ATOM 0 H ALA A 56 82.906 3.529 -15.582 1.00 2.08 H new ATOM 0 HA ALA A 56 83.688 0.678 -15.178 1.00 2.13 H new ATOM 0 HB1 ALA A 56 85.408 1.845 -13.780 1.00 2.49 H new ATOM 0 HB2 ALA A 56 85.299 2.618 -15.380 1.00 2.49 H new ATOM 0 HB3 ALA A 56 84.524 3.378 -13.969 1.00 2.49 H new ATOM 904 N PRO A 57 82.739 0.170 -12.935 1.00 1.73 N ATOM 905 CA PRO A 57 82.047 -0.151 -11.654 1.00 1.49 C ATOM 906 C PRO A 57 82.667 0.640 -10.494 1.00 1.44 C ATOM 907 O PRO A 57 83.847 0.942 -10.501 1.00 1.69 O ATOM 908 CB PRO A 57 82.272 -1.657 -11.464 1.00 1.69 C ATOM 909 CG PRO A 57 82.752 -2.167 -12.786 1.00 2.03 C ATOM 910 CD PRO A 57 83.399 -1.016 -13.503 1.00 2.03 C ATOM 0 HA PRO A 57 80.989 0.110 -11.675 1.00 1.49 H new ATOM 0 HB2 PRO A 57 83.007 -1.847 -10.681 1.00 1.69 H new ATOM 0 HB3 PRO A 57 81.350 -2.155 -11.164 1.00 1.69 H new ATOM 0 HG2 PRO A 57 83.463 -2.982 -12.648 1.00 2.03 H new ATOM 0 HG3 PRO A 57 81.921 -2.564 -13.369 1.00 2.03 H new ATOM 0 HD2 PRO A 57 84.476 -0.994 -13.333 1.00 2.03 H new ATOM 0 HD3 PRO A 57 83.247 -1.080 -14.580 1.00 2.03 H new ATOM 918 N GLN A 58 81.878 0.973 -9.502 1.00 1.27 N ATOM 919 CA GLN A 58 82.416 1.720 -8.323 1.00 1.32 C ATOM 920 C GLN A 58 82.752 0.745 -7.191 1.00 1.21 C ATOM 921 O GLN A 58 81.877 0.103 -6.637 1.00 1.25 O ATOM 922 CB GLN A 58 81.290 2.665 -7.901 1.00 1.51 C ATOM 923 CG GLN A 58 81.076 3.723 -8.987 1.00 1.77 C ATOM 924 CD GLN A 58 79.982 4.695 -8.543 1.00 2.27 C ATOM 925 OE1 GLN A 58 78.809 4.395 -8.643 1.00 2.67 O ATOM 926 NE2 GLN A 58 80.318 5.857 -8.053 1.00 2.72 N ATOM 0 H GLN A 58 80.882 0.759 -9.458 1.00 1.27 H new ATOM 0 HA GLN A 58 83.332 2.261 -8.560 1.00 1.32 H new ATOM 0 HB2 GLN A 58 80.370 2.103 -7.740 1.00 1.51 H new ATOM 0 HB3 GLN A 58 81.540 3.145 -6.955 1.00 1.51 H new ATOM 0 HG2 GLN A 58 82.005 4.263 -9.171 1.00 1.77 H new ATOM 0 HG3 GLN A 58 80.794 3.245 -9.925 1.00 1.77 H new ATOM 0 HE21 GLN A 58 81.303 6.110 -7.969 1.00 2.72 H new ATOM 0 HE22 GLN A 58 79.596 6.513 -7.754 1.00 2.72 H new ATOM 935 N SER A 59 84.011 0.633 -6.846 1.00 1.26 N ATOM 936 CA SER A 59 84.420 -0.308 -5.756 1.00 1.31 C ATOM 937 C SER A 59 84.290 0.372 -4.389 1.00 1.11 C ATOM 938 O SER A 59 83.980 -0.266 -3.400 1.00 1.20 O ATOM 939 CB SER A 59 85.882 -0.651 -6.047 1.00 1.62 C ATOM 940 OG SER A 59 85.982 -1.212 -7.349 1.00 2.17 O ATOM 0 H SER A 59 84.776 1.155 -7.274 1.00 1.26 H new ATOM 0 HA SER A 59 83.792 -1.199 -5.728 1.00 1.31 H new ATOM 0 HB2 SER A 59 86.499 0.245 -5.976 1.00 1.62 H new ATOM 0 HB3 SER A 59 86.257 -1.356 -5.305 1.00 1.62 H new ATOM 0 HG SER A 59 86.918 -1.431 -7.540 1.00 2.17 H new ATOM 946 N GLN A 60 84.527 1.662 -4.331 1.00 1.00 N ATOM 947 CA GLN A 60 84.455 2.392 -3.020 1.00 0.86 C ATOM 948 C GLN A 60 83.036 2.326 -2.441 1.00 0.64 C ATOM 949 O GLN A 60 82.059 2.403 -3.163 1.00 0.65 O ATOM 950 CB GLN A 60 84.829 3.843 -3.341 1.00 1.00 C ATOM 951 CG GLN A 60 86.295 3.909 -3.777 1.00 1.66 C ATOM 952 CD GLN A 60 86.664 5.353 -4.122 1.00 1.99 C ATOM 953 OE1 GLN A 60 85.859 6.087 -4.662 1.00 2.16 O ATOM 954 NE2 GLN A 60 87.856 5.797 -3.829 1.00 2.70 N ATOM 0 H GLN A 60 84.767 2.243 -5.134 1.00 1.00 H new ATOM 0 HA GLN A 60 85.121 1.952 -2.278 1.00 0.86 H new ATOM 0 HB2 GLN A 60 84.186 4.229 -4.132 1.00 1.00 H new ATOM 0 HB3 GLN A 60 84.670 4.473 -2.465 1.00 1.00 H new ATOM 0 HG2 GLN A 60 86.939 3.539 -2.979 1.00 1.66 H new ATOM 0 HG3 GLN A 60 86.457 3.265 -4.642 1.00 1.66 H new ATOM 0 HE21 GLN A 60 88.532 5.182 -3.376 1.00 2.70 H new ATOM 0 HE22 GLN A 60 88.111 6.759 -4.053 1.00 2.70 H new ATOM 963 N ILE A 61 82.925 2.182 -1.143 1.00 0.50 N ATOM 964 CA ILE A 61 81.576 2.121 -0.495 1.00 0.32 C ATOM 965 C ILE A 61 81.197 3.506 0.042 1.00 0.23 C ATOM 966 O ILE A 61 82.049 4.270 0.459 1.00 0.24 O ATOM 967 CB ILE A 61 81.727 1.116 0.663 1.00 0.38 C ATOM 968 CG1 ILE A 61 82.239 -0.244 0.139 1.00 0.48 C ATOM 969 CG2 ILE A 61 80.374 0.918 1.360 1.00 0.42 C ATOM 970 CD1 ILE A 61 81.274 -0.825 -0.906 1.00 0.48 C ATOM 0 H ILE A 61 83.714 2.104 -0.501 1.00 0.50 H new ATOM 0 HA ILE A 61 80.794 1.817 -1.191 1.00 0.32 H new ATOM 0 HB ILE A 61 82.451 1.515 1.374 1.00 0.38 H new ATOM 0 HG12 ILE A 61 83.228 -0.120 -0.302 1.00 0.48 H new ATOM 0 HG13 ILE A 61 82.346 -0.942 0.969 1.00 0.48 H new ATOM 0 HG21 ILE A 61 80.487 0.206 2.178 1.00 0.42 H new ATOM 0 HG22 ILE A 61 80.025 1.872 1.755 1.00 0.42 H new ATOM 0 HG23 ILE A 61 79.648 0.535 0.643 1.00 0.42 H new ATOM 0 HD11 ILE A 61 81.655 -1.783 -1.261 1.00 0.48 H new ATOM 0 HD12 ILE A 61 80.293 -0.970 -0.454 1.00 0.48 H new ATOM 0 HD13 ILE A 61 81.189 -0.135 -1.746 1.00 0.48 H new ATOM 982 N TYR A 62 79.927 3.832 0.032 1.00 0.17 N ATOM 983 CA TYR A 62 79.485 5.162 0.554 1.00 0.14 C ATOM 984 C TYR A 62 79.080 5.044 2.026 1.00 0.10 C ATOM 985 O TYR A 62 78.125 4.367 2.359 1.00 0.09 O ATOM 986 CB TYR A 62 78.279 5.547 -0.303 1.00 0.19 C ATOM 987 CG TYR A 62 78.640 5.918 -1.722 1.00 0.27 C ATOM 988 CD1 TYR A 62 79.342 7.120 -1.981 1.00 0.60 C ATOM 989 CD2 TYR A 62 78.277 5.064 -2.791 1.00 0.57 C ATOM 990 CE1 TYR A 62 79.680 7.469 -3.312 1.00 0.70 C ATOM 991 CE2 TYR A 62 78.614 5.413 -4.121 1.00 0.66 C ATOM 992 CZ TYR A 62 79.316 6.615 -4.382 1.00 0.57 C ATOM 993 OH TYR A 62 79.645 6.955 -5.678 1.00 0.73 O ATOM 0 H TYR A 62 79.178 3.234 -0.315 1.00 0.17 H new ATOM 0 HA TYR A 62 80.277 5.909 0.500 1.00 0.14 H new ATOM 0 HB2 TYR A 62 77.576 4.714 -0.322 1.00 0.19 H new ATOM 0 HB3 TYR A 62 77.765 6.387 0.164 1.00 0.19 H new ATOM 0 HD1 TYR A 62 79.620 7.770 -1.165 1.00 0.60 H new ATOM 0 HD2 TYR A 62 77.743 4.146 -2.592 1.00 0.57 H new ATOM 0 HE1 TYR A 62 80.215 8.386 -3.511 1.00 0.70 H new ATOM 0 HE2 TYR A 62 78.336 4.762 -4.937 1.00 0.66 H new ATOM 0 HH TYR A 62 80.471 7.482 -5.678 1.00 0.73 H new ATOM 1003 N ASP A 63 79.809 5.696 2.905 1.00 0.11 N ATOM 1004 CA ASP A 63 79.465 5.672 4.370 1.00 0.12 C ATOM 1005 C ASP A 63 77.992 6.034 4.613 1.00 0.10 C ATOM 1006 O ASP A 63 77.320 5.418 5.422 1.00 0.10 O ATOM 1007 CB ASP A 63 80.368 6.736 5.002 1.00 0.15 C ATOM 1008 CG ASP A 63 80.319 6.610 6.526 1.00 1.04 C ATOM 1009 OD1 ASP A 63 79.472 7.249 7.127 1.00 1.86 O ATOM 1010 OD2 ASP A 63 81.131 5.875 7.066 1.00 1.36 O ATOM 0 H ASP A 63 80.634 6.248 2.670 1.00 0.11 H new ATOM 0 HA ASP A 63 79.613 4.678 4.793 1.00 0.12 H new ATOM 0 HB2 ASP A 63 81.392 6.614 4.650 1.00 0.15 H new ATOM 0 HB3 ASP A 63 80.042 7.731 4.698 1.00 0.15 H new ATOM 1015 N TYR A 64 77.491 7.027 3.917 1.00 0.09 N ATOM 1016 CA TYR A 64 76.103 7.518 4.187 1.00 0.08 C ATOM 1017 C TYR A 64 75.503 8.135 2.921 1.00 0.08 C ATOM 1018 O TYR A 64 76.109 8.978 2.286 1.00 0.10 O ATOM 1019 CB TYR A 64 76.272 8.584 5.272 1.00 0.09 C ATOM 1020 CG TYR A 64 74.973 9.039 5.905 1.00 0.09 C ATOM 1021 CD1 TYR A 64 74.003 9.731 5.134 1.00 0.09 C ATOM 1022 CD2 TYR A 64 74.730 8.781 7.276 1.00 0.10 C ATOM 1023 CE1 TYR A 64 72.797 10.162 5.736 1.00 0.09 C ATOM 1024 CE2 TYR A 64 73.522 9.212 7.875 1.00 0.10 C ATOM 1025 CZ TYR A 64 72.556 9.903 7.105 1.00 0.10 C ATOM 1026 OH TYR A 64 71.380 10.325 7.691 1.00 0.10 O ATOM 0 H TYR A 64 77.985 7.519 3.172 1.00 0.09 H new ATOM 0 HA TYR A 64 75.432 6.717 4.497 1.00 0.08 H new ATOM 0 HB2 TYR A 64 76.925 8.192 6.052 1.00 0.09 H new ATOM 0 HB3 TYR A 64 76.775 9.449 4.840 1.00 0.09 H new ATOM 0 HD1 TYR A 64 74.185 9.929 4.088 1.00 0.09 H new ATOM 0 HD2 TYR A 64 75.467 8.255 7.865 1.00 0.10 H new ATOM 0 HE1 TYR A 64 72.060 10.689 5.149 1.00 0.09 H new ATOM 0 HE2 TYR A 64 73.337 9.013 8.920 1.00 0.10 H new ATOM 0 HH TYR A 64 71.374 10.065 8.636 1.00 0.10 H new ATOM 1036 N ILE A 65 74.315 7.719 2.554 1.00 0.07 N ATOM 1037 CA ILE A 65 73.588 8.394 1.429 1.00 0.08 C ATOM 1038 C ILE A 65 72.169 8.771 1.878 1.00 0.08 C ATOM 1039 O ILE A 65 71.434 7.948 2.396 1.00 0.08 O ATOM 1040 CB ILE A 65 73.554 7.372 0.278 1.00 0.09 C ATOM 1041 CG1 ILE A 65 74.993 7.049 -0.159 1.00 0.10 C ATOM 1042 CG2 ILE A 65 72.780 7.959 -0.915 1.00 0.10 C ATOM 1043 CD1 ILE A 65 74.984 5.979 -1.259 1.00 0.11 C ATOM 0 H ILE A 65 73.816 6.941 2.984 1.00 0.07 H new ATOM 0 HA ILE A 65 74.078 9.316 1.116 1.00 0.08 H new ATOM 0 HB ILE A 65 73.059 6.462 0.618 1.00 0.09 H new ATOM 0 HG12 ILE A 65 75.482 7.952 -0.524 1.00 0.10 H new ATOM 0 HG13 ILE A 65 75.570 6.697 0.696 1.00 0.10 H new ATOM 0 HG21 ILE A 65 72.758 7.233 -1.727 1.00 0.10 H new ATOM 0 HG22 ILE A 65 71.760 8.191 -0.608 1.00 0.10 H new ATOM 0 HG23 ILE A 65 73.273 8.870 -1.256 1.00 0.10 H new ATOM 0 HD11 ILE A 65 76.008 5.758 -1.560 1.00 0.11 H new ATOM 0 HD12 ILE A 65 74.514 5.072 -0.880 1.00 0.11 H new ATOM 0 HD13 ILE A 65 74.424 6.346 -2.119 1.00 0.11 H new ATOM 1055 N LEU A 66 71.790 10.012 1.680 1.00 0.09 N ATOM 1056 CA LEU A 66 70.401 10.450 2.023 1.00 0.09 C ATOM 1057 C LEU A 66 69.484 10.276 0.809 1.00 0.11 C ATOM 1058 O LEU A 66 69.854 10.596 -0.306 1.00 0.13 O ATOM 1059 CB LEU A 66 70.528 11.930 2.396 1.00 0.12 C ATOM 1060 CG LEU A 66 69.193 12.440 2.944 1.00 0.13 C ATOM 1061 CD1 LEU A 66 68.948 11.847 4.333 1.00 0.12 C ATOM 1062 CD2 LEU A 66 69.234 13.966 3.043 1.00 0.17 C ATOM 0 H LEU A 66 72.387 10.743 1.293 1.00 0.09 H new ATOM 0 HA LEU A 66 69.970 9.865 2.836 1.00 0.09 H new ATOM 0 HB2 LEU A 66 71.312 12.061 3.142 1.00 0.12 H new ATOM 0 HB3 LEU A 66 70.819 12.512 1.521 1.00 0.12 H new ATOM 0 HG LEU A 66 68.388 12.138 2.274 1.00 0.13 H new ATOM 0 HD11 LEU A 66 67.997 12.211 4.722 1.00 0.12 H new ATOM 0 HD12 LEU A 66 68.919 10.760 4.264 1.00 0.12 H new ATOM 0 HD13 LEU A 66 69.753 12.147 5.004 1.00 0.12 H new ATOM 0 HD21 LEU A 66 68.284 14.331 3.433 1.00 0.17 H new ATOM 0 HD22 LEU A 66 70.040 14.266 3.712 1.00 0.17 H new ATOM 0 HD23 LEU A 66 69.407 14.390 2.054 1.00 0.17 H new ATOM 1074 N PHE A 67 68.292 9.772 1.018 1.00 0.11 N ATOM 1075 CA PHE A 67 67.378 9.483 -0.128 1.00 0.14 C ATOM 1076 C PHE A 67 65.953 9.949 0.188 1.00 0.13 C ATOM 1077 O PHE A 67 65.411 9.644 1.233 1.00 0.13 O ATOM 1078 CB PHE A 67 67.417 7.961 -0.284 1.00 0.17 C ATOM 1079 CG PHE A 67 68.505 7.465 -1.209 1.00 0.20 C ATOM 1080 CD1 PHE A 67 68.705 8.083 -2.468 1.00 0.23 C ATOM 1081 CD2 PHE A 67 69.310 6.365 -0.826 1.00 0.22 C ATOM 1082 CE1 PHE A 67 69.708 7.601 -3.340 1.00 0.28 C ATOM 1083 CE2 PHE A 67 70.316 5.886 -1.698 1.00 0.27 C ATOM 1084 CZ PHE A 67 70.515 6.504 -2.956 1.00 0.29 C ATOM 0 H PHE A 67 67.912 9.548 1.938 1.00 0.11 H new ATOM 0 HA PHE A 67 67.683 10.001 -1.037 1.00 0.14 H new ATOM 0 HB2 PHE A 67 67.555 7.509 0.698 1.00 0.17 H new ATOM 0 HB3 PHE A 67 66.452 7.620 -0.659 1.00 0.17 H new ATOM 0 HD1 PHE A 67 68.092 8.922 -2.762 1.00 0.23 H new ATOM 0 HD2 PHE A 67 69.156 5.891 0.132 1.00 0.22 H new ATOM 0 HE1 PHE A 67 69.858 8.071 -4.301 1.00 0.28 H new ATOM 0 HE2 PHE A 67 70.932 5.049 -1.404 1.00 0.27 H new ATOM 0 HZ PHE A 67 71.282 6.138 -3.622 1.00 0.29 H new ATOM 1094 N ARG A 68 65.349 10.691 -0.711 1.00 0.12 N ATOM 1095 CA ARG A 68 63.911 11.068 -0.540 1.00 0.12 C ATOM 1096 C ARG A 68 63.006 10.030 -1.215 1.00 0.12 C ATOM 1097 O ARG A 68 63.364 9.436 -2.220 1.00 0.11 O ATOM 1098 CB ARG A 68 63.768 12.428 -1.226 1.00 0.13 C ATOM 1099 CG ARG A 68 64.570 13.481 -0.455 1.00 0.15 C ATOM 1100 CD ARG A 68 64.324 14.865 -1.064 1.00 0.17 C ATOM 1101 NE ARG A 68 64.919 14.801 -2.436 1.00 1.25 N ATOM 1102 CZ ARG A 68 66.224 14.856 -2.627 1.00 1.87 C ATOM 1103 NH1 ARG A 68 67.065 14.955 -1.623 1.00 2.52 N ATOM 1104 NH2 ARG A 68 66.691 14.806 -3.845 1.00 2.39 N ATOM 0 H ARG A 68 65.792 11.052 -1.556 1.00 0.12 H new ATOM 0 HA ARG A 68 63.621 11.110 0.510 1.00 0.12 H new ATOM 0 HB2 ARG A 68 64.124 12.367 -2.254 1.00 0.13 H new ATOM 0 HB3 ARG A 68 62.718 12.716 -1.269 1.00 0.13 H new ATOM 0 HG2 ARG A 68 64.278 13.478 0.595 1.00 0.15 H new ATOM 0 HG3 ARG A 68 65.633 13.241 -0.491 1.00 0.15 H new ATOM 0 HD2 ARG A 68 63.259 15.093 -1.107 1.00 0.17 H new ATOM 0 HD3 ARG A 68 64.793 15.647 -0.467 1.00 0.17 H new ATOM 0 HE ARG A 68 64.301 14.713 -3.243 1.00 1.25 H new ATOM 0 HH11 ARG A 68 66.714 14.991 -0.666 1.00 2.52 H new ATOM 0 HH12 ARG A 68 68.069 14.996 -1.801 1.00 2.52 H new ATOM 0 HH21 ARG A 68 66.050 14.725 -4.634 1.00 2.39 H new ATOM 0 HH22 ARG A 68 67.697 14.847 -4.008 1.00 2.39 H new ATOM 1118 N GLY A 69 61.831 9.809 -0.672 1.00 0.12 N ATOM 1119 CA GLY A 69 60.881 8.824 -1.283 1.00 0.13 C ATOM 1120 C GLY A 69 60.543 9.225 -2.728 1.00 0.12 C ATOM 1121 O GLY A 69 60.210 8.388 -3.546 1.00 0.13 O ATOM 0 H GLY A 69 61.488 10.270 0.171 1.00 0.12 H new ATOM 0 HA2 GLY A 69 61.323 7.828 -1.270 1.00 0.13 H new ATOM 0 HA3 GLY A 69 59.968 8.775 -0.690 1.00 0.13 H new ATOM 1125 N SER A 70 60.627 10.497 -3.044 1.00 0.12 N ATOM 1126 CA SER A 70 60.264 10.964 -4.423 1.00 0.14 C ATOM 1127 C SER A 70 61.237 10.404 -5.466 1.00 0.13 C ATOM 1128 O SER A 70 60.835 10.018 -6.550 1.00 0.16 O ATOM 1129 CB SER A 70 60.361 12.490 -4.373 1.00 0.16 C ATOM 1130 OG SER A 70 59.543 12.979 -3.317 1.00 1.29 O ATOM 0 H SER A 70 60.931 11.233 -2.406 1.00 0.12 H new ATOM 0 HA SER A 70 59.269 10.624 -4.710 1.00 0.14 H new ATOM 0 HB2 SER A 70 61.396 12.795 -4.218 1.00 0.16 H new ATOM 0 HB3 SER A 70 60.042 12.917 -5.323 1.00 0.16 H new ATOM 0 HG SER A 70 59.604 13.956 -3.281 1.00 1.29 H new ATOM 1136 N ASP A 71 62.511 10.353 -5.151 1.00 0.13 N ATOM 1137 CA ASP A 71 63.523 9.926 -6.171 1.00 0.16 C ATOM 1138 C ASP A 71 63.585 8.396 -6.272 1.00 0.16 C ATOM 1139 O ASP A 71 63.829 7.852 -7.334 1.00 0.23 O ATOM 1140 CB ASP A 71 64.868 10.512 -5.706 1.00 0.21 C ATOM 1141 CG ASP A 71 65.255 9.962 -4.327 1.00 0.22 C ATOM 1142 OD1 ASP A 71 65.582 8.791 -4.249 1.00 1.06 O ATOM 1143 OD2 ASP A 71 65.224 10.724 -3.377 1.00 1.09 O ATOM 0 H ASP A 71 62.893 10.588 -4.235 1.00 0.13 H new ATOM 0 HA ASP A 71 63.263 10.286 -7.167 1.00 0.16 H new ATOM 0 HB2 ASP A 71 65.645 10.269 -6.430 1.00 0.21 H new ATOM 0 HB3 ASP A 71 64.801 11.599 -5.663 1.00 0.21 H new ATOM 1148 N ILE A 72 63.367 7.702 -5.182 1.00 0.12 N ATOM 1149 CA ILE A 72 63.361 6.205 -5.231 1.00 0.12 C ATOM 1150 C ILE A 72 61.919 5.682 -5.195 1.00 0.16 C ATOM 1151 O ILE A 72 61.082 6.184 -4.468 1.00 0.22 O ATOM 1152 CB ILE A 72 64.199 5.775 -4.012 1.00 0.15 C ATOM 1153 CG1 ILE A 72 65.683 5.880 -4.390 1.00 0.18 C ATOM 1154 CG2 ILE A 72 63.888 4.327 -3.599 1.00 0.24 C ATOM 1155 CD1 ILE A 72 66.519 6.158 -3.145 1.00 0.27 C ATOM 0 H ILE A 72 63.193 8.106 -4.262 1.00 0.12 H new ATOM 0 HA ILE A 72 63.785 5.795 -6.148 1.00 0.12 H new ATOM 0 HB ILE A 72 63.958 6.425 -3.171 1.00 0.15 H new ATOM 0 HG12 ILE A 72 66.013 4.954 -4.861 1.00 0.18 H new ATOM 0 HG13 ILE A 72 65.826 6.677 -5.120 1.00 0.18 H new ATOM 0 HG21 ILE A 72 64.496 4.056 -2.736 1.00 0.24 H new ATOM 0 HG22 ILE A 72 62.833 4.241 -3.340 1.00 0.24 H new ATOM 0 HG23 ILE A 72 64.114 3.656 -4.428 1.00 0.24 H new ATOM 0 HD11 ILE A 72 67.571 6.231 -3.422 1.00 0.27 H new ATOM 0 HD12 ILE A 72 66.197 7.096 -2.692 1.00 0.27 H new ATOM 0 HD13 ILE A 72 66.388 5.346 -2.430 1.00 0.27 H new ATOM 1167 N LYS A 73 61.639 4.671 -5.982 1.00 0.16 N ATOM 1168 CA LYS A 73 60.223 4.280 -6.240 1.00 0.20 C ATOM 1169 C LYS A 73 59.848 2.989 -5.501 1.00 0.18 C ATOM 1170 O LYS A 73 58.677 2.723 -5.294 1.00 0.22 O ATOM 1171 CB LYS A 73 60.147 4.068 -7.752 1.00 0.25 C ATOM 1172 CG LYS A 73 58.683 3.940 -8.179 1.00 0.32 C ATOM 1173 CD LYS A 73 58.609 3.675 -9.684 1.00 1.12 C ATOM 1174 CE LYS A 73 57.152 3.740 -10.144 1.00 1.22 C ATOM 1175 NZ LYS A 73 56.875 5.191 -10.340 1.00 2.11 N ATOM 0 H LYS A 73 62.336 4.099 -6.458 1.00 0.16 H new ATOM 0 HA LYS A 73 59.528 5.041 -5.885 1.00 0.20 H new ATOM 0 HB2 LYS A 73 60.616 4.904 -8.271 1.00 0.25 H new ATOM 0 HB3 LYS A 73 60.698 3.170 -8.032 1.00 0.25 H new ATOM 0 HG2 LYS A 73 58.204 3.128 -7.632 1.00 0.32 H new ATOM 0 HG3 LYS A 73 58.141 4.853 -7.933 1.00 0.32 H new ATOM 0 HD2 LYS A 73 59.205 4.412 -10.223 1.00 1.12 H new ATOM 0 HD3 LYS A 73 59.030 2.696 -9.912 1.00 1.12 H new ATOM 0 HE2 LYS A 73 57.004 3.181 -11.068 1.00 1.22 H new ATOM 0 HE3 LYS A 73 56.483 3.307 -9.400 1.00 1.22 H new ATOM 0 HZ1 LYS A 73 55.926 5.415 -9.978 1.00 2.11 H new ATOM 0 HZ2 LYS A 73 57.584 5.752 -9.826 1.00 2.11 H new ATOM 0 HZ3 LYS A 73 56.921 5.419 -11.354 1.00 2.11 H new ATOM 1189 N ASP A 74 60.809 2.184 -5.098 1.00 0.14 N ATOM 1190 CA ASP A 74 60.443 0.899 -4.416 1.00 0.13 C ATOM 1191 C ASP A 74 61.529 0.464 -3.426 1.00 0.12 C ATOM 1192 O ASP A 74 62.707 0.523 -3.714 1.00 0.11 O ATOM 1193 CB ASP A 74 60.295 -0.124 -5.543 1.00 0.18 C ATOM 1194 CG ASP A 74 59.670 -1.408 -4.990 1.00 0.21 C ATOM 1195 OD1 ASP A 74 60.419 -2.271 -4.565 1.00 0.89 O ATOM 1196 OD2 ASP A 74 58.454 -1.504 -5.002 1.00 1.03 O ATOM 0 H ASP A 74 61.808 2.357 -5.209 1.00 0.14 H new ATOM 0 HA ASP A 74 59.528 1.002 -3.833 1.00 0.13 H new ATOM 0 HB2 ASP A 74 59.671 0.283 -6.338 1.00 0.18 H new ATOM 0 HB3 ASP A 74 61.269 -0.341 -5.982 1.00 0.18 H new ATOM 1201 N ILE A 75 61.119 0.027 -2.258 1.00 0.15 N ATOM 1202 CA ILE A 75 62.092 -0.483 -1.243 1.00 0.16 C ATOM 1203 C ILE A 75 61.584 -1.811 -0.654 1.00 0.19 C ATOM 1204 O ILE A 75 60.397 -1.994 -0.458 1.00 0.25 O ATOM 1205 CB ILE A 75 62.165 0.619 -0.169 1.00 0.20 C ATOM 1206 CG1 ILE A 75 63.184 0.224 0.906 1.00 0.22 C ATOM 1207 CG2 ILE A 75 60.793 0.826 0.486 1.00 0.26 C ATOM 1208 CD1 ILE A 75 63.528 1.446 1.759 1.00 0.25 C ATOM 0 H ILE A 75 60.143 0.002 -1.964 1.00 0.15 H new ATOM 0 HA ILE A 75 63.076 -0.687 -1.666 1.00 0.16 H new ATOM 0 HB ILE A 75 62.472 1.549 -0.647 1.00 0.20 H new ATOM 0 HG12 ILE A 75 62.777 -0.568 1.534 1.00 0.22 H new ATOM 0 HG13 ILE A 75 64.086 -0.172 0.439 1.00 0.22 H new ATOM 0 HG21 ILE A 75 60.865 1.608 1.242 1.00 0.26 H new ATOM 0 HG22 ILE A 75 60.068 1.120 -0.273 1.00 0.26 H new ATOM 0 HG23 ILE A 75 60.470 -0.103 0.955 1.00 0.26 H new ATOM 0 HD11 ILE A 75 64.253 1.164 2.523 1.00 0.25 H new ATOM 0 HD12 ILE A 75 63.953 2.224 1.125 1.00 0.25 H new ATOM 0 HD13 ILE A 75 62.624 1.822 2.238 1.00 0.25 H new ATOM 1220 N ARG A 76 62.477 -2.730 -0.374 1.00 0.17 N ATOM 1221 CA ARG A 76 62.058 -4.037 0.223 1.00 0.21 C ATOM 1222 C ARG A 76 63.140 -4.558 1.174 1.00 0.20 C ATOM 1223 O ARG A 76 64.318 -4.505 0.874 1.00 0.17 O ATOM 1224 CB ARG A 76 61.886 -4.986 -0.964 1.00 0.25 C ATOM 1225 CG ARG A 76 60.662 -4.570 -1.785 1.00 0.31 C ATOM 1226 CD ARG A 76 60.366 -5.641 -2.838 1.00 0.77 C ATOM 1227 NE ARG A 76 59.240 -5.086 -3.653 1.00 1.63 N ATOM 1228 CZ ARG A 76 57.999 -5.080 -3.203 1.00 2.30 C ATOM 1229 NH1 ARG A 76 57.693 -5.546 -2.014 1.00 2.80 N ATOM 1230 NH2 ARG A 76 57.052 -4.594 -3.958 1.00 2.91 N ATOM 0 H ARG A 76 63.480 -2.631 -0.534 1.00 0.17 H new ATOM 0 HA ARG A 76 61.141 -3.945 0.805 1.00 0.21 H new ATOM 0 HB2 ARG A 76 62.779 -4.967 -1.589 1.00 0.25 H new ATOM 0 HB3 ARG A 76 61.767 -6.010 -0.609 1.00 0.25 H new ATOM 0 HG2 ARG A 76 59.800 -4.439 -1.131 1.00 0.31 H new ATOM 0 HG3 ARG A 76 60.844 -3.610 -2.268 1.00 0.31 H new ATOM 0 HD2 ARG A 76 61.241 -5.838 -3.457 1.00 0.77 H new ATOM 0 HD3 ARG A 76 60.087 -6.586 -2.372 1.00 0.77 H new ATOM 0 HE ARG A 76 59.436 -4.703 -4.578 1.00 1.63 H new ATOM 0 HH11 ARG A 76 58.423 -5.926 -1.412 1.00 2.80 H new ATOM 0 HH12 ARG A 76 56.725 -5.528 -1.693 1.00 2.80 H new ATOM 0 HH21 ARG A 76 57.275 -4.225 -4.882 1.00 2.91 H new ATOM 0 HH22 ARG A 76 56.088 -4.583 -3.624 1.00 2.91 H new ATOM 1244 N VAL A 77 62.745 -5.062 2.319 1.00 0.27 N ATOM 1245 CA VAL A 77 63.741 -5.607 3.297 1.00 0.28 C ATOM 1246 C VAL A 77 64.022 -7.083 2.984 1.00 0.35 C ATOM 1247 O VAL A 77 63.139 -7.813 2.576 1.00 0.45 O ATOM 1248 CB VAL A 77 63.083 -5.459 4.680 1.00 0.43 C ATOM 1249 CG1 VAL A 77 64.045 -5.948 5.769 1.00 1.23 C ATOM 1250 CG2 VAL A 77 62.743 -3.988 4.941 1.00 1.54 C ATOM 0 H VAL A 77 61.772 -5.120 2.620 1.00 0.27 H new ATOM 0 HA VAL A 77 64.695 -5.081 3.253 1.00 0.28 H new ATOM 0 HB VAL A 77 62.171 -6.056 4.700 1.00 0.43 H new ATOM 0 HG11 VAL A 77 63.574 -5.841 6.746 1.00 1.23 H new ATOM 0 HG12 VAL A 77 64.287 -6.997 5.596 1.00 1.23 H new ATOM 0 HG13 VAL A 77 64.959 -5.355 5.740 1.00 1.23 H new ATOM 0 HG21 VAL A 77 62.277 -3.891 5.922 1.00 1.54 H new ATOM 0 HG22 VAL A 77 63.656 -3.393 4.912 1.00 1.54 H new ATOM 0 HG23 VAL A 77 62.054 -3.633 4.175 1.00 1.54 H new ATOM 1260 N VAL A 78 65.244 -7.520 3.174 1.00 0.34 N ATOM 1261 CA VAL A 78 65.589 -8.948 2.887 1.00 0.49 C ATOM 1262 C VAL A 78 65.466 -9.779 4.171 1.00 0.71 C ATOM 1263 O VAL A 78 65.938 -9.382 5.221 1.00 0.79 O ATOM 1264 CB VAL A 78 67.043 -8.928 2.387 1.00 0.59 C ATOM 1265 CG1 VAL A 78 67.483 -10.348 2.014 1.00 0.98 C ATOM 1266 CG2 VAL A 78 67.155 -8.032 1.147 1.00 0.60 C ATOM 0 H VAL A 78 66.017 -6.949 3.515 1.00 0.34 H new ATOM 0 HA VAL A 78 64.923 -9.394 2.149 1.00 0.49 H new ATOM 0 HB VAL A 78 67.682 -8.540 3.180 1.00 0.59 H new ATOM 0 HG11 VAL A 78 68.514 -10.328 1.660 1.00 0.98 H new ATOM 0 HG12 VAL A 78 67.412 -10.993 2.890 1.00 0.98 H new ATOM 0 HG13 VAL A 78 66.836 -10.734 1.226 1.00 0.98 H new ATOM 0 HG21 VAL A 78 68.187 -8.022 0.797 1.00 0.60 H new ATOM 0 HG22 VAL A 78 66.509 -8.419 0.359 1.00 0.60 H new ATOM 0 HG23 VAL A 78 66.848 -7.018 1.402 1.00 0.60 H new ATOM 1276 N ASN A 79 64.834 -10.925 4.088 1.00 0.90 N ATOM 1277 CA ASN A 79 64.654 -11.781 5.302 1.00 1.20 C ATOM 1278 C ASN A 79 65.564 -13.009 5.226 1.00 1.45 C ATOM 1279 O ASN A 79 65.487 -13.791 4.296 1.00 1.75 O ATOM 1280 CB ASN A 79 63.184 -12.202 5.273 1.00 1.53 C ATOM 1281 CG ASN A 79 62.295 -10.982 5.527 1.00 2.15 C ATOM 1282 OD1 ASN A 79 62.589 -9.894 5.070 1.00 2.85 O ATOM 1283 ND2 ASN A 79 61.211 -11.117 6.242 1.00 2.70 N ATOM 0 H ASN A 79 64.434 -11.305 3.230 1.00 0.90 H new ATOM 0 HA ASN A 79 64.911 -11.253 6.220 1.00 1.20 H new ATOM 0 HB2 ASN A 79 62.942 -12.646 4.308 1.00 1.53 H new ATOM 0 HB3 ASN A 79 62.998 -12.964 6.030 1.00 1.53 H new ATOM 0 HD21 ASN A 79 60.612 -10.310 6.417 1.00 2.70 H new ATOM 0 HD22 ASN A 79 60.963 -12.029 6.626 1.00 2.70 H new ATOM 1290 N ASN A 80 66.425 -13.181 6.200 1.00 1.93 N ATOM 1291 CA ASN A 80 67.326 -14.374 6.219 1.00 2.31 C ATOM 1292 C ASN A 80 67.015 -15.249 7.435 1.00 2.75 C ATOM 1293 O ASN A 80 67.380 -14.925 8.551 1.00 3.41 O ATOM 1294 CB ASN A 80 68.740 -13.800 6.318 1.00 3.15 C ATOM 1295 CG ASN A 80 69.761 -14.903 6.031 1.00 3.59 C ATOM 1296 OD1 ASN A 80 69.752 -15.494 4.970 1.00 3.87 O ATOM 1297 ND2 ASN A 80 70.647 -15.207 6.939 1.00 4.24 N ATOM 0 H ASN A 80 66.542 -12.542 6.986 1.00 1.93 H new ATOM 0 HA ASN A 80 67.202 -15.001 5.336 1.00 2.31 H new ATOM 0 HB2 ASN A 80 68.863 -12.983 5.607 1.00 3.15 H new ATOM 0 HB3 ASN A 80 68.907 -13.385 7.312 1.00 3.15 H new ATOM 0 HD21 ASN A 80 71.332 -15.941 6.758 1.00 4.24 H new ATOM 0 HD22 ASN A 80 70.655 -14.711 7.830 1.00 4.24 H new ATOM 1304 N HIS A 81 66.342 -16.355 7.226 1.00 3.01 N ATOM 1305 CA HIS A 81 65.981 -17.252 8.366 1.00 3.89 C ATOM 1306 C HIS A 81 66.228 -18.716 7.987 1.00 4.37 C ATOM 1307 O HIS A 81 66.520 -19.028 6.848 1.00 4.66 O ATOM 1308 CB HIS A 81 64.493 -17.005 8.607 1.00 4.54 C ATOM 1309 CG HIS A 81 64.012 -17.499 9.944 1.00 5.26 C ATOM 1310 ND1 HIS A 81 64.295 -16.832 11.125 1.00 5.72 N ATOM 1311 CD2 HIS A 81 63.266 -18.595 10.303 1.00 6.03 C ATOM 1312 CE1 HIS A 81 63.728 -17.525 12.129 1.00 6.65 C ATOM 1313 NE2 HIS A 81 63.088 -18.609 11.683 1.00 6.85 N ATOM 0 H HIS A 81 66.026 -16.675 6.310 1.00 3.01 H new ATOM 0 HA HIS A 81 66.578 -17.050 9.256 1.00 3.89 H new ATOM 0 HB2 HIS A 81 64.293 -15.936 8.530 1.00 4.54 H new ATOM 0 HB3 HIS A 81 63.919 -17.494 7.820 1.00 4.54 H new ATOM 0 HD2 HIS A 81 62.877 -19.334 9.618 1.00 6.03 H new ATOM 0 HE1 HIS A 81 63.784 -17.239 13.169 1.00 6.65 H new ATOM 0 HE2 HIS A 81 62.578 -19.299 12.235 1.00 6.85 H new ATOM 1321 N THR A 82 66.112 -19.612 8.938 1.00 4.91 N ATOM 1322 CA THR A 82 66.337 -21.062 8.648 1.00 5.74 C ATOM 1323 C THR A 82 65.045 -21.853 8.876 1.00 6.63 C ATOM 1324 O THR A 82 64.131 -21.385 9.529 1.00 6.82 O ATOM 1325 CB THR A 82 67.417 -21.503 9.640 1.00 6.03 C ATOM 1326 OG1 THR A 82 67.012 -21.166 10.959 1.00 6.18 O ATOM 1327 CG2 THR A 82 68.736 -20.802 9.312 1.00 6.41 C ATOM 0 H THR A 82 65.870 -19.400 9.906 1.00 4.91 H new ATOM 0 HA THR A 82 66.638 -21.234 7.615 1.00 5.74 H new ATOM 0 HB THR A 82 67.557 -22.581 9.567 1.00 6.03 H new ATOM 0 HG1 THR A 82 67.701 -21.449 11.595 1.00 6.18 H new ATOM 0 HG21 THR A 82 69.502 -21.118 10.020 1.00 6.41 H new ATOM 0 HG22 THR A 82 69.046 -21.065 8.301 1.00 6.41 H new ATOM 0 HG23 THR A 82 68.601 -19.723 9.381 1.00 6.41 H new ATOM 1335 N LEU A 83 64.968 -23.047 8.340 1.00 7.42 N ATOM 1336 CA LEU A 83 63.736 -23.879 8.506 1.00 8.44 C ATOM 1337 C LEU A 83 64.066 -25.166 9.278 1.00 9.26 C ATOM 1338 O LEU A 83 65.222 -25.522 9.403 1.00 9.42 O ATOM 1339 CB LEU A 83 63.287 -24.208 7.083 1.00 8.96 C ATOM 1340 CG LEU A 83 62.487 -23.034 6.515 1.00 9.31 C ATOM 1341 CD1 LEU A 83 62.495 -23.101 4.987 1.00 9.46 C ATOM 1342 CD2 LEU A 83 61.045 -23.109 7.020 1.00 10.11 C ATOM 0 H LEU A 83 65.710 -23.483 7.792 1.00 7.42 H new ATOM 0 HA LEU A 83 62.960 -23.361 9.069 1.00 8.44 H new ATOM 0 HB2 LEU A 83 64.154 -24.409 6.454 1.00 8.96 H new ATOM 0 HB3 LEU A 83 62.677 -25.111 7.083 1.00 8.96 H new ATOM 0 HG LEU A 83 62.939 -22.097 6.839 1.00 9.31 H new ATOM 0 HD11 LEU A 83 61.925 -22.264 4.583 1.00 9.46 H new ATOM 0 HD12 LEU A 83 63.522 -23.048 4.626 1.00 9.46 H new ATOM 0 HD13 LEU A 83 62.044 -24.038 4.662 1.00 9.46 H new ATOM 0 HD21 LEU A 83 60.474 -22.273 6.616 1.00 10.11 H new ATOM 0 HD22 LEU A 83 60.594 -24.047 6.696 1.00 10.11 H new ATOM 0 HD23 LEU A 83 61.038 -23.061 8.109 1.00 10.11 H new ATOM 1354 N PRO A 84 63.037 -25.830 9.774 1.00 9.94 N ATOM 1355 CA PRO A 84 63.246 -27.089 10.536 1.00 10.88 C ATOM 1356 C PRO A 84 63.748 -28.199 9.605 1.00 11.67 C ATOM 1357 O PRO A 84 62.968 -28.654 8.786 1.00 12.03 O ATOM 1358 CB PRO A 84 61.859 -27.425 11.086 1.00 11.53 C ATOM 1359 CG PRO A 84 60.897 -26.693 10.207 1.00 11.18 C ATOM 1360 CD PRO A 84 61.611 -25.479 9.677 1.00 10.12 C ATOM 1361 OXT PRO A 84 64.903 -28.571 9.729 1.00 12.05 O ATOM 0 HA PRO A 84 63.992 -26.989 11.324 1.00 10.88 H new ATOM 0 HB2 PRO A 84 61.676 -28.499 11.061 1.00 11.53 H new ATOM 0 HB3 PRO A 84 61.761 -27.109 12.125 1.00 11.53 H new ATOM 0 HG2 PRO A 84 60.563 -27.330 9.388 1.00 11.18 H new ATOM 0 HG3 PRO A 84 60.009 -26.402 10.768 1.00 11.18 H new ATOM 0 HD2 PRO A 84 61.322 -25.264 8.648 1.00 10.12 H new ATOM 0 HD3 PRO A 84 61.378 -24.591 10.265 1.00 10.12 H new TER 1369 PRO A 84