USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 740 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 30 ASN : amide:sc= 0.892 K(o=0.89,f=-0.76) USER MOD Set 1.2: A 97 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 74 LYS NZ :NH3+ 150:sc= 0.712 (180deg=0) USER MOD Set 2.2: A 78 GLN : amide:sc= -0.984! C(o=-0.27!,f=-13!) USER MOD Set 3.1: A 67 SER OG : rot -177:sc= 1.14 USER MOD Set 3.2: A 86 ASN : amide:sc= 0.194 K(o=1.3,f=-4.8!) USER MOD Set 4.1: A 42 ASN : amide:sc= -0.588 K(o=-0.55,f=-2.4!) USER MOD Set 4.2: A 57 THR OG1 : rot -170:sc= 0.0347 USER MOD Set 5.1: A 37 ASN : amide:sc= -1.47! C(o=-1.5!,f=-3.8!) USER MOD Set 5.2: A 53 ASN : amide:sc=-0.00514 K(o=-1.5,f=-6.5!) USER MOD Set 6.1: A 19 THR OG1 : rot 180:sc= 0.36 USER MOD Set 6.2: A 33 SER OG : rot -97:sc= 0.379 USER MOD Set 7.1: A 11 SER OG : rot 180:sc= 1.05 USER MOD Set 7.2: A 20 SER OG : rot 122:sc= 1.24 USER MOD Set 8.1: A 7 THR OG1 : rot 180:sc= 0.0251 USER MOD Set 8.2: A 93 ASN : amide:sc= -1.02 K(o=-1,f=-7.4!) USER MOD Set 9.1: A 1 LEU N :NH3+ -159:sc= -0.0867 (180deg=-0.516) USER MOD Set 9.2: A 3 LYS NZ :NH3+ -119:sc= -0.0742 (180deg=-0.222) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -0.462 K(o=-0.46,f=-1.5!) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -1.04 K(o=-1,f=-3!) USER MOD Single : A 14 GLN : amide:sc= -0.0625 X(o=-0.063,f=-0.063) USER MOD Single : A 16 SER OG : rot 103:sc= 0.156 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.0677 USER MOD Single : A 26 ASN :FLIP amide:sc= -0.718 F(o=-7.1!,f=-0.72) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0.76 K(o=0.76,f=-0.3) USER MOD Single : A 52 SER OG : rot 54:sc= 0.858 USER MOD Single : A 60 ASN : amide:sc= -0.745 K(o=-0.74,f=-3.2!) USER MOD Single : A 61 THR OG1 : rot 167:sc= 1.28 USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.0945 USER MOD Single : A 79 GLN :FLIP amide:sc= 0 F(o=-0.97,f=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot -100:sc= -0.218 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 HIS : no HE2:sc= -0.796 K(o=-0.8,f=-2.5) USER MOD Single : A 99 LYS NZ :NH3+ -148:sc= -0.305 (180deg=-0.759) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 84.323 11.964 -3.728 1.00 0.30 N ATOM 2 CA LEU A 1 83.389 10.949 -4.296 1.00 0.28 C ATOM 3 C LEU A 1 82.386 10.513 -3.227 1.00 0.26 C ATOM 4 O LEU A 1 82.731 10.306 -2.082 1.00 0.27 O ATOM 5 CB LEU A 1 84.177 9.719 -4.758 1.00 0.29 C ATOM 6 CG LEU A 1 85.100 10.080 -5.929 1.00 0.33 C ATOM 7 CD1 LEU A 1 86.017 8.887 -6.225 1.00 0.34 C ATOM 8 CD2 LEU A 1 84.273 10.417 -7.184 1.00 0.42 C ATOM 0 H1 LEU A 1 84.754 12.510 -4.501 1.00 0.30 H new ATOM 0 H2 LEU A 1 83.798 12.606 -3.101 1.00 0.30 H new ATOM 0 H3 LEU A 1 85.069 11.484 -3.185 1.00 0.30 H new ATOM 0 HA LEU A 1 82.862 11.392 -5.142 1.00 0.28 H new ATOM 0 HB2 LEU A 1 84.767 9.326 -3.930 1.00 0.29 H new ATOM 0 HB3 LEU A 1 83.488 8.931 -5.060 1.00 0.29 H new ATOM 0 HG LEU A 1 85.694 10.953 -5.660 1.00 0.33 H new ATOM 0 HD11 LEU A 1 86.678 9.133 -7.056 1.00 0.34 H new ATOM 0 HD12 LEU A 1 86.614 8.659 -5.342 1.00 0.34 H new ATOM 0 HD13 LEU A 1 85.412 8.019 -6.487 1.00 0.34 H new ATOM 0 HD21 LEU A 1 84.944 10.671 -8.005 1.00 0.42 H new ATOM 0 HD22 LEU A 1 83.668 9.555 -7.463 1.00 0.42 H new ATOM 0 HD23 LEU A 1 83.621 11.265 -6.973 1.00 0.42 H new ATOM 22 N GLY A 2 81.140 10.393 -3.594 1.00 0.24 N ATOM 23 CA GLY A 2 80.102 9.982 -2.608 1.00 0.24 C ATOM 24 C GLY A 2 79.980 11.046 -1.520 1.00 0.25 C ATOM 25 O GLY A 2 80.026 12.220 -1.812 1.00 0.33 O ATOM 0 H GLY A 2 80.795 10.563 -4.539 1.00 0.24 H new ATOM 0 HA2 GLY A 2 79.143 9.848 -3.109 1.00 0.24 H new ATOM 0 HA3 GLY A 2 80.367 9.022 -2.164 1.00 0.24 H new ATOM 29 N LYS A 3 79.811 10.631 -0.274 1.00 0.23 N ATOM 30 CA LYS A 3 79.665 11.573 0.892 1.00 0.23 C ATOM 31 C LYS A 3 78.237 12.126 0.929 1.00 0.19 C ATOM 32 O LYS A 3 77.959 13.123 1.564 1.00 0.20 O ATOM 33 CB LYS A 3 80.677 12.731 0.820 1.00 0.28 C ATOM 34 CG LYS A 3 82.100 12.163 0.799 1.00 0.34 C ATOM 35 CD LYS A 3 83.108 13.311 0.727 1.00 1.04 C ATOM 36 CE LYS A 3 84.524 12.738 0.679 1.00 1.30 C ATOM 37 NZ LYS A 3 84.720 12.020 -0.613 1.00 1.98 N ATOM 0 H LYS A 3 79.768 9.646 -0.014 1.00 0.23 H new ATOM 0 HA LYS A 3 79.869 11.014 1.805 1.00 0.23 H new ATOM 0 HB2 LYS A 3 80.499 13.329 -0.074 1.00 0.28 H new ATOM 0 HB3 LYS A 3 80.550 13.393 1.677 1.00 0.28 H new ATOM 0 HG2 LYS A 3 82.277 11.565 1.693 1.00 0.34 H new ATOM 0 HG3 LYS A 3 82.226 11.501 -0.057 1.00 0.34 H new ATOM 0 HD2 LYS A 3 82.920 13.920 -0.157 1.00 1.04 H new ATOM 0 HD3 LYS A 3 82.996 13.963 1.593 1.00 1.04 H new ATOM 0 HE2 LYS A 3 85.257 13.539 0.778 1.00 1.30 H new ATOM 0 HE3 LYS A 3 84.682 12.056 1.515 1.00 1.30 H new ATOM 0 HZ1 LYS A 3 84.929 11.019 -0.425 1.00 1.98 H new ATOM 0 HZ2 LYS A 3 83.854 12.092 -1.185 1.00 1.98 H new ATOM 0 HZ3 LYS A 3 85.514 12.448 -1.131 1.00 1.98 H new ATOM 51 N PHE A 4 77.332 11.482 0.244 1.00 0.17 N ATOM 52 CA PHE A 4 75.916 11.954 0.218 1.00 0.17 C ATOM 53 C PHE A 4 75.413 12.243 1.639 1.00 0.16 C ATOM 54 O PHE A 4 74.443 12.952 1.816 1.00 0.15 O ATOM 55 CB PHE A 4 75.035 10.866 -0.422 1.00 0.18 C ATOM 56 CG PHE A 4 74.783 9.747 0.575 1.00 0.18 C ATOM 57 CD1 PHE A 4 75.750 8.758 0.789 1.00 0.21 C ATOM 58 CD2 PHE A 4 73.582 9.718 1.295 1.00 0.19 C ATOM 59 CE1 PHE A 4 75.514 7.738 1.721 1.00 0.24 C ATOM 60 CE2 PHE A 4 73.346 8.701 2.227 1.00 0.23 C ATOM 61 CZ PHE A 4 74.312 7.711 2.439 1.00 0.25 C ATOM 0 H PHE A 4 77.514 10.641 -0.304 1.00 0.17 H new ATOM 0 HA PHE A 4 75.863 12.874 -0.364 1.00 0.17 H new ATOM 0 HB2 PHE A 4 74.087 11.297 -0.744 1.00 0.18 H new ATOM 0 HB3 PHE A 4 75.523 10.468 -1.312 1.00 0.18 H new ATOM 0 HD1 PHE A 4 76.678 8.781 0.236 1.00 0.21 H new ATOM 0 HD2 PHE A 4 72.837 10.482 1.131 1.00 0.19 H new ATOM 0 HE1 PHE A 4 76.259 6.973 1.885 1.00 0.24 H new ATOM 0 HE2 PHE A 4 72.420 8.680 2.782 1.00 0.23 H new ATOM 0 HZ PHE A 4 74.130 6.925 3.157 1.00 0.25 H new ATOM 71 N SER A 5 76.023 11.693 2.650 1.00 0.15 N ATOM 72 CA SER A 5 75.523 11.938 4.031 1.00 0.15 C ATOM 73 C SER A 5 75.787 13.383 4.454 1.00 0.14 C ATOM 74 O SER A 5 75.251 13.853 5.439 1.00 0.14 O ATOM 75 CB SER A 5 76.235 10.985 4.990 1.00 0.18 C ATOM 76 OG SER A 5 77.615 11.320 5.045 1.00 0.21 O ATOM 0 H SER A 5 76.841 11.088 2.582 1.00 0.15 H new ATOM 0 HA SER A 5 74.447 11.765 4.057 1.00 0.15 H new ATOM 0 HB2 SER A 5 75.792 11.053 5.984 1.00 0.18 H new ATOM 0 HB3 SER A 5 76.112 9.955 4.656 1.00 0.18 H new ATOM 0 HG SER A 5 78.075 10.712 5.661 1.00 0.21 H new ATOM 82 N GLN A 6 76.595 14.102 3.724 1.00 0.15 N ATOM 83 CA GLN A 6 76.869 15.517 4.100 1.00 0.16 C ATOM 84 C GLN A 6 75.643 16.383 3.796 1.00 0.14 C ATOM 85 O GLN A 6 75.424 17.391 4.439 1.00 0.15 O ATOM 86 CB GLN A 6 78.074 16.034 3.312 1.00 0.20 C ATOM 87 CG GLN A 6 79.340 15.333 3.810 1.00 0.25 C ATOM 88 CD GLN A 6 80.546 15.808 2.995 1.00 0.29 C ATOM 89 OE1 GLN A 6 80.402 16.593 2.079 1.00 0.93 O ATOM 90 NE2 GLN A 6 81.735 15.361 3.294 1.00 1.12 N ATOM 0 H GLN A 6 77.075 13.772 2.887 1.00 0.15 H new ATOM 0 HA GLN A 6 77.086 15.568 5.167 1.00 0.16 H new ATOM 0 HB2 GLN A 6 77.935 15.846 2.247 1.00 0.20 H new ATOM 0 HB3 GLN A 6 78.169 17.113 3.436 1.00 0.20 H new ATOM 0 HG2 GLN A 6 79.495 15.549 4.867 1.00 0.25 H new ATOM 0 HG3 GLN A 6 79.229 14.253 3.718 1.00 0.25 H new ATOM 0 HE21 GLN A 6 81.853 14.702 4.063 1.00 1.12 H new ATOM 0 HE22 GLN A 6 82.546 15.671 2.758 1.00 1.12 H new ATOM 99 N THR A 7 74.842 16.004 2.821 1.00 0.13 N ATOM 100 CA THR A 7 73.624 16.822 2.478 1.00 0.14 C ATOM 101 C THR A 7 72.360 15.955 2.508 1.00 0.13 C ATOM 102 O THR A 7 71.336 16.348 1.986 1.00 0.14 O ATOM 103 CB THR A 7 73.784 17.439 1.086 1.00 0.16 C ATOM 104 OG1 THR A 7 74.059 16.413 0.141 1.00 0.17 O ATOM 105 CG2 THR A 7 74.930 18.450 1.099 1.00 0.20 C ATOM 0 H THR A 7 74.977 15.169 2.251 1.00 0.13 H new ATOM 0 HA THR A 7 73.525 17.614 3.221 1.00 0.14 H new ATOM 0 HB THR A 7 72.861 17.948 0.808 1.00 0.16 H new ATOM 0 HG1 THR A 7 74.160 16.808 -0.750 1.00 0.17 H new ATOM 0 HG21 THR A 7 75.041 18.887 0.107 1.00 0.20 H new ATOM 0 HG22 THR A 7 74.712 19.238 1.820 1.00 0.20 H new ATOM 0 HG23 THR A 7 75.856 17.947 1.380 1.00 0.20 H new ATOM 113 N CYS A 8 72.403 14.794 3.129 1.00 0.13 N ATOM 114 CA CYS A 8 71.174 13.928 3.209 1.00 0.13 C ATOM 115 C CYS A 8 70.977 13.511 4.671 1.00 0.13 C ATOM 116 O CYS A 8 71.920 13.476 5.437 1.00 0.14 O ATOM 117 CB CYS A 8 71.346 12.692 2.320 1.00 0.12 C ATOM 118 SG CYS A 8 71.599 13.215 0.602 1.00 0.12 S ATOM 0 H CYS A 8 73.232 14.410 3.582 1.00 0.13 H new ATOM 0 HA CYS A 8 70.300 14.478 2.859 1.00 0.13 H new ATOM 0 HB2 CYS A 8 72.196 12.101 2.661 1.00 0.12 H new ATOM 0 HB3 CYS A 8 70.465 12.054 2.391 1.00 0.12 H new ATOM 123 N TYR A 9 69.769 13.209 5.084 1.00 0.13 N ATOM 124 CA TYR A 9 69.552 12.811 6.514 1.00 0.14 C ATOM 125 C TYR A 9 68.400 11.801 6.622 1.00 0.14 C ATOM 126 O TYR A 9 67.733 11.497 5.654 1.00 0.14 O ATOM 127 CB TYR A 9 69.245 14.058 7.351 1.00 0.16 C ATOM 128 CG TYR A 9 67.883 14.599 6.993 1.00 0.18 C ATOM 129 CD1 TYR A 9 67.730 15.434 5.882 1.00 0.23 C ATOM 130 CD2 TYR A 9 66.778 14.263 7.777 1.00 0.21 C ATOM 131 CE1 TYR A 9 66.465 15.934 5.553 1.00 0.27 C ATOM 132 CE2 TYR A 9 65.511 14.763 7.450 1.00 0.26 C ATOM 133 CZ TYR A 9 65.355 15.599 6.337 1.00 0.27 C ATOM 134 OH TYR A 9 64.107 16.091 6.014 1.00 0.33 O ATOM 0 H TYR A 9 68.932 13.220 4.501 1.00 0.13 H new ATOM 0 HA TYR A 9 70.458 12.337 6.893 1.00 0.14 H new ATOM 0 HB2 TYR A 9 69.280 13.811 8.412 1.00 0.16 H new ATOM 0 HB3 TYR A 9 70.005 14.819 7.176 1.00 0.16 H new ATOM 0 HD1 TYR A 9 68.587 15.693 5.278 1.00 0.23 H new ATOM 0 HD2 TYR A 9 66.900 13.618 8.635 1.00 0.21 H new ATOM 0 HE1 TYR A 9 66.345 16.578 4.694 1.00 0.27 H new ATOM 0 HE2 TYR A 9 64.655 14.504 8.056 1.00 0.26 H new ATOM 0 HH TYR A 9 63.448 15.761 6.660 1.00 0.33 H new ATOM 144 N ASN A 10 68.191 11.258 7.795 1.00 0.15 N ATOM 145 CA ASN A 10 67.112 10.238 7.992 1.00 0.16 C ATOM 146 C ASN A 10 67.326 9.069 7.026 1.00 0.15 C ATOM 147 O ASN A 10 66.389 8.499 6.504 1.00 0.16 O ATOM 148 CB ASN A 10 65.724 10.860 7.759 1.00 0.18 C ATOM 149 CG ASN A 10 65.291 11.641 9.004 1.00 0.21 C ATOM 150 OD1 ASN A 10 65.962 11.613 10.017 1.00 0.81 O ATOM 151 ND2 ASN A 10 64.187 12.335 8.972 1.00 0.67 N ATOM 0 H ASN A 10 68.727 11.479 8.634 1.00 0.15 H new ATOM 0 HA ASN A 10 67.159 9.876 9.019 1.00 0.16 H new ATOM 0 HB2 ASN A 10 65.753 11.523 6.894 1.00 0.18 H new ATOM 0 HB3 ASN A 10 64.997 10.078 7.538 1.00 0.18 H new ATOM 0 HD21 ASN A 10 63.887 12.854 9.797 1.00 0.67 H new ATOM 0 HD22 ASN A 10 63.624 12.359 8.122 1.00 0.67 H new ATOM 158 N SER A 11 68.558 8.703 6.789 1.00 0.14 N ATOM 159 CA SER A 11 68.833 7.565 5.868 1.00 0.14 C ATOM 160 C SER A 11 68.342 6.264 6.498 1.00 0.13 C ATOM 161 O SER A 11 68.415 6.064 7.694 1.00 0.14 O ATOM 162 CB SER A 11 70.337 7.463 5.605 1.00 0.15 C ATOM 163 OG SER A 11 70.750 8.564 4.808 1.00 0.18 O ATOM 0 H SER A 11 69.384 9.143 7.194 1.00 0.14 H new ATOM 0 HA SER A 11 68.311 7.735 4.926 1.00 0.14 H new ATOM 0 HB2 SER A 11 70.883 7.457 6.548 1.00 0.15 H new ATOM 0 HB3 SER A 11 70.566 6.526 5.098 1.00 0.15 H new ATOM 0 HG SER A 11 71.713 8.502 4.639 1.00 0.18 H new ATOM 169 N ALA A 12 67.837 5.382 5.683 1.00 0.13 N ATOM 170 CA ALA A 12 67.318 4.081 6.206 1.00 0.13 C ATOM 171 C ALA A 12 67.612 2.974 5.196 1.00 0.13 C ATOM 172 O ALA A 12 67.759 3.219 4.013 1.00 0.13 O ATOM 173 CB ALA A 12 65.805 4.202 6.404 1.00 0.13 C ATOM 0 H ALA A 12 67.759 5.503 4.673 1.00 0.13 H new ATOM 0 HA ALA A 12 67.800 3.840 7.153 1.00 0.13 H new ATOM 0 HB1 ALA A 12 65.411 3.260 6.786 1.00 0.13 H new ATOM 0 HB2 ALA A 12 65.594 4.999 7.117 1.00 0.13 H new ATOM 0 HB3 ALA A 12 65.331 4.434 5.450 1.00 0.13 H new ATOM 179 N ILE A 13 67.705 1.752 5.666 1.00 0.13 N ATOM 180 CA ILE A 13 67.989 0.600 4.756 1.00 0.14 C ATOM 181 C ILE A 13 67.043 -0.557 5.081 1.00 0.14 C ATOM 182 O ILE A 13 66.853 -0.927 6.223 1.00 0.16 O ATOM 183 CB ILE A 13 69.456 0.154 4.914 1.00 0.14 C ATOM 184 CG1 ILE A 13 70.372 1.207 4.270 1.00 0.15 C ATOM 185 CG2 ILE A 13 69.671 -1.199 4.225 1.00 0.16 C ATOM 186 CD1 ILE A 13 71.807 1.053 4.777 1.00 0.17 C ATOM 0 H ILE A 13 67.595 1.503 6.649 1.00 0.13 H new ATOM 0 HA ILE A 13 67.829 0.908 3.723 1.00 0.14 H new ATOM 0 HB ILE A 13 69.691 0.053 5.974 1.00 0.14 H new ATOM 0 HG12 ILE A 13 70.350 1.102 3.185 1.00 0.15 H new ATOM 0 HG13 ILE A 13 70.004 2.207 4.500 1.00 0.15 H new ATOM 0 HG21 ILE A 13 70.710 -1.506 4.342 1.00 0.16 H new ATOM 0 HG22 ILE A 13 69.019 -1.946 4.678 1.00 0.16 H new ATOM 0 HG23 ILE A 13 69.437 -1.108 3.164 1.00 0.16 H new ATOM 0 HD11 ILE A 13 72.441 1.807 4.310 1.00 0.17 H new ATOM 0 HD12 ILE A 13 71.826 1.182 5.859 1.00 0.17 H new ATOM 0 HD13 ILE A 13 72.178 0.060 4.524 1.00 0.17 H new ATOM 198 N GLN A 14 66.461 -1.133 4.067 1.00 0.14 N ATOM 199 CA GLN A 14 65.531 -2.282 4.262 1.00 0.16 C ATOM 200 C GLN A 14 65.893 -3.336 3.219 1.00 0.15 C ATOM 201 O GLN A 14 65.696 -3.148 2.035 1.00 0.15 O ATOM 202 CB GLN A 14 64.086 -1.811 4.054 1.00 0.18 C ATOM 203 CG GLN A 14 63.106 -2.949 4.365 1.00 0.23 C ATOM 204 CD GLN A 14 62.975 -3.118 5.881 1.00 1.00 C ATOM 205 OE1 GLN A 14 63.439 -4.094 6.436 1.00 1.65 O ATOM 206 NE2 GLN A 14 62.357 -2.204 6.577 1.00 1.56 N ATOM 0 H GLN A 14 66.592 -0.852 3.095 1.00 0.14 H new ATOM 0 HA GLN A 14 65.617 -2.692 5.268 1.00 0.16 H new ATOM 0 HB2 GLN A 14 63.878 -0.957 4.698 1.00 0.18 H new ATOM 0 HB3 GLN A 14 63.950 -1.475 3.026 1.00 0.18 H new ATOM 0 HG2 GLN A 14 62.131 -2.732 3.928 1.00 0.23 H new ATOM 0 HG3 GLN A 14 63.457 -3.878 3.915 1.00 0.23 H new ATOM 0 HE21 GLN A 14 61.967 -1.385 6.111 1.00 1.56 H new ATOM 0 HE22 GLN A 14 62.263 -2.309 7.587 1.00 1.56 H new ATOM 215 N GLY A 15 66.443 -4.433 3.643 1.00 0.17 N ATOM 216 CA GLY A 15 66.844 -5.470 2.656 1.00 0.16 C ATOM 217 C GLY A 15 68.064 -4.953 1.889 1.00 0.14 C ATOM 218 O GLY A 15 69.093 -4.670 2.468 1.00 0.14 O ATOM 0 H GLY A 15 66.632 -4.658 4.620 1.00 0.17 H new ATOM 0 HA2 GLY A 15 67.082 -6.405 3.163 1.00 0.16 H new ATOM 0 HA3 GLY A 15 66.024 -5.679 1.969 1.00 0.16 H new ATOM 222 N SER A 16 67.944 -4.792 0.595 1.00 0.12 N ATOM 223 CA SER A 16 69.080 -4.257 -0.224 1.00 0.12 C ATOM 224 C SER A 16 68.715 -2.857 -0.732 1.00 0.11 C ATOM 225 O SER A 16 69.429 -2.266 -1.519 1.00 0.12 O ATOM 226 CB SER A 16 69.307 -5.177 -1.425 1.00 0.14 C ATOM 227 OG SER A 16 68.133 -5.199 -2.226 1.00 0.20 O ATOM 0 H SER A 16 67.101 -5.010 0.064 1.00 0.12 H new ATOM 0 HA SER A 16 69.984 -4.209 0.384 1.00 0.12 H new ATOM 0 HB2 SER A 16 70.156 -4.826 -2.012 1.00 0.14 H new ATOM 0 HB3 SER A 16 69.549 -6.184 -1.086 1.00 0.14 H new ATOM 0 HG SER A 16 68.268 -4.641 -3.020 1.00 0.20 H new ATOM 233 N VAL A 17 67.584 -2.334 -0.318 1.00 0.11 N ATOM 234 CA VAL A 17 67.139 -0.991 -0.817 1.00 0.11 C ATOM 235 C VAL A 17 67.616 0.158 0.087 1.00 0.11 C ATOM 236 O VAL A 17 67.323 0.214 1.266 1.00 0.13 O ATOM 237 CB VAL A 17 65.608 -0.978 -0.886 1.00 0.14 C ATOM 238 CG1 VAL A 17 65.112 0.423 -1.258 1.00 0.16 C ATOM 239 CG2 VAL A 17 65.144 -1.978 -1.947 1.00 0.19 C ATOM 0 H VAL A 17 66.949 -2.779 0.345 1.00 0.11 H new ATOM 0 HA VAL A 17 67.580 -0.834 -1.801 1.00 0.11 H new ATOM 0 HB VAL A 17 65.202 -1.254 0.087 1.00 0.14 H new ATOM 0 HG11 VAL A 17 64.023 0.423 -1.305 1.00 0.16 H new ATOM 0 HG12 VAL A 17 65.443 1.138 -0.505 1.00 0.16 H new ATOM 0 HG13 VAL A 17 65.517 0.706 -2.230 1.00 0.16 H new ATOM 0 HG21 VAL A 17 64.055 -1.973 -2.000 1.00 0.19 H new ATOM 0 HG22 VAL A 17 65.556 -1.697 -2.916 1.00 0.19 H new ATOM 0 HG23 VAL A 17 65.490 -2.977 -1.681 1.00 0.19 H new ATOM 249 N LEU A 18 68.311 1.094 -0.494 1.00 0.11 N ATOM 250 CA LEU A 18 68.774 2.294 0.269 1.00 0.12 C ATOM 251 C LEU A 18 67.726 3.390 0.060 1.00 0.12 C ATOM 252 O LEU A 18 67.378 3.718 -1.055 1.00 0.13 O ATOM 253 CB LEU A 18 70.137 2.751 -0.277 1.00 0.14 C ATOM 254 CG LEU A 18 70.557 4.099 0.332 1.00 0.17 C ATOM 255 CD1 LEU A 18 70.699 3.972 1.852 1.00 0.24 C ATOM 256 CD2 LEU A 18 71.900 4.519 -0.274 1.00 0.20 C ATOM 0 H LEU A 18 68.583 1.082 -1.477 1.00 0.11 H new ATOM 0 HA LEU A 18 68.888 2.071 1.330 1.00 0.12 H new ATOM 0 HB2 LEU A 18 70.892 1.997 -0.054 1.00 0.14 H new ATOM 0 HB3 LEU A 18 70.086 2.840 -1.362 1.00 0.14 H new ATOM 0 HG LEU A 18 69.796 4.848 0.113 1.00 0.17 H new ATOM 0 HD11 LEU A 18 70.997 4.933 2.271 1.00 0.24 H new ATOM 0 HD12 LEU A 18 69.745 3.668 2.282 1.00 0.24 H new ATOM 0 HD13 LEU A 18 71.457 3.224 2.085 1.00 0.24 H new ATOM 0 HD21 LEU A 18 72.208 5.474 0.151 1.00 0.20 H new ATOM 0 HD22 LEU A 18 72.653 3.763 -0.050 1.00 0.20 H new ATOM 0 HD23 LEU A 18 71.796 4.619 -1.354 1.00 0.20 H new ATOM 268 N THR A 19 67.218 3.960 1.131 1.00 0.13 N ATOM 269 CA THR A 19 66.175 5.034 1.011 1.00 0.14 C ATOM 270 C THR A 19 66.592 6.249 1.850 1.00 0.14 C ATOM 271 O THR A 19 66.961 6.114 3.000 1.00 0.14 O ATOM 272 CB THR A 19 64.853 4.470 1.541 1.00 0.16 C ATOM 273 OG1 THR A 19 64.454 3.371 0.735 1.00 0.20 O ATOM 274 CG2 THR A 19 63.756 5.537 1.524 1.00 0.19 C ATOM 0 H THR A 19 67.483 3.726 2.088 1.00 0.13 H new ATOM 0 HA THR A 19 66.065 5.345 -0.028 1.00 0.14 H new ATOM 0 HB THR A 19 65.003 4.145 2.571 1.00 0.16 H new ATOM 0 HG1 THR A 19 63.609 3.007 1.073 1.00 0.20 H new ATOM 0 HG21 THR A 19 62.828 5.111 1.905 1.00 0.19 H new ATOM 0 HG22 THR A 19 64.055 6.376 2.152 1.00 0.19 H new ATOM 0 HG23 THR A 19 63.603 5.885 0.503 1.00 0.19 H new ATOM 282 N SER A 20 66.547 7.431 1.303 1.00 0.14 N ATOM 283 CA SER A 20 66.963 8.607 2.132 1.00 0.15 C ATOM 284 C SER A 20 66.407 9.918 1.564 1.00 0.14 C ATOM 285 O SER A 20 66.072 10.021 0.401 1.00 0.14 O ATOM 286 CB SER A 20 68.490 8.687 2.149 1.00 0.16 C ATOM 287 OG SER A 20 68.897 9.663 3.100 1.00 0.22 O ATOM 0 H SER A 20 66.251 7.636 0.349 1.00 0.14 H new ATOM 0 HA SER A 20 66.568 8.472 3.139 1.00 0.15 H new ATOM 0 HB2 SER A 20 68.914 7.716 2.403 1.00 0.16 H new ATOM 0 HB3 SER A 20 68.863 8.949 1.159 1.00 0.16 H new ATOM 0 HG SER A 20 69.482 9.246 3.767 1.00 0.22 H new ATOM 293 N THR A 21 66.344 10.932 2.394 1.00 0.16 N ATOM 294 CA THR A 21 65.851 12.267 1.926 1.00 0.16 C ATOM 295 C THR A 21 67.075 13.136 1.632 1.00 0.15 C ATOM 296 O THR A 21 67.913 13.331 2.490 1.00 0.17 O ATOM 297 CB THR A 21 65.005 12.924 3.022 1.00 0.19 C ATOM 298 OG1 THR A 21 63.828 12.157 3.232 1.00 0.22 O ATOM 299 CG2 THR A 21 64.624 14.342 2.594 1.00 0.25 C ATOM 0 H THR A 21 66.613 10.893 3.377 1.00 0.16 H new ATOM 0 HA THR A 21 65.235 12.154 1.034 1.00 0.16 H new ATOM 0 HB THR A 21 65.579 12.969 3.947 1.00 0.19 H new ATOM 0 HG1 THR A 21 63.286 12.575 3.934 1.00 0.22 H new ATOM 0 HG21 THR A 21 64.022 14.808 3.374 1.00 0.25 H new ATOM 0 HG22 THR A 21 65.528 14.929 2.434 1.00 0.25 H new ATOM 0 HG23 THR A 21 64.049 14.301 1.669 1.00 0.25 H new ATOM 307 N CYS A 22 67.197 13.650 0.428 1.00 0.14 N ATOM 308 CA CYS A 22 68.387 14.497 0.075 1.00 0.15 C ATOM 309 C CYS A 22 67.954 15.902 -0.345 1.00 0.15 C ATOM 310 O CYS A 22 66.836 16.128 -0.765 1.00 0.16 O ATOM 311 CB CYS A 22 69.152 13.830 -1.070 1.00 0.14 C ATOM 312 SG CYS A 22 70.055 12.400 -0.421 1.00 0.14 S ATOM 0 H CYS A 22 66.523 13.520 -0.327 1.00 0.14 H new ATOM 0 HA CYS A 22 69.027 14.587 0.952 1.00 0.15 H new ATOM 0 HB2 CYS A 22 68.461 13.516 -1.852 1.00 0.14 H new ATOM 0 HB3 CYS A 22 69.845 14.539 -1.523 1.00 0.14 H new ATOM 317 N GLU A 23 68.849 16.849 -0.224 1.00 0.18 N ATOM 318 CA GLU A 23 68.528 18.254 -0.597 1.00 0.19 C ATOM 319 C GLU A 23 68.804 18.509 -2.079 1.00 0.19 C ATOM 320 O GLU A 23 69.769 18.038 -2.649 1.00 0.22 O ATOM 321 CB GLU A 23 69.366 19.218 0.243 1.00 0.24 C ATOM 322 CG GLU A 23 68.878 20.646 -0.005 1.00 0.27 C ATOM 323 CD GLU A 23 69.706 21.625 0.831 1.00 0.32 C ATOM 324 OE1 GLU A 23 70.459 21.165 1.673 1.00 0.36 O ATOM 325 OE2 GLU A 23 69.575 22.818 0.612 1.00 0.35 O ATOM 0 H GLU A 23 69.798 16.704 0.121 1.00 0.18 H new ATOM 0 HA GLU A 23 67.467 18.418 -0.407 1.00 0.19 H new ATOM 0 HB2 GLU A 23 69.280 18.969 1.301 1.00 0.24 H new ATOM 0 HB3 GLU A 23 70.420 19.129 -0.021 1.00 0.24 H new ATOM 0 HG2 GLU A 23 68.965 20.892 -1.063 1.00 0.27 H new ATOM 0 HG3 GLU A 23 67.823 20.731 0.256 1.00 0.27 H new ATOM 332 N ARG A 24 67.949 19.287 -2.683 1.00 0.20 N ATOM 333 CA ARG A 24 68.096 19.653 -4.119 1.00 0.23 C ATOM 334 C ARG A 24 69.073 20.826 -4.241 1.00 0.25 C ATOM 335 O ARG A 24 69.219 21.623 -3.335 1.00 0.24 O ATOM 336 CB ARG A 24 66.729 20.093 -4.651 1.00 0.24 C ATOM 337 CG ARG A 24 65.795 18.884 -4.742 1.00 0.34 C ATOM 338 CD ARG A 24 64.425 19.338 -5.251 1.00 0.51 C ATOM 339 NE ARG A 24 63.509 18.167 -5.342 1.00 0.97 N ATOM 340 CZ ARG A 24 62.218 18.352 -5.410 1.00 1.52 C ATOM 341 NH1 ARG A 24 61.728 19.560 -5.376 1.00 1.87 N ATOM 342 NH2 ARG A 24 61.417 17.326 -5.504 1.00 2.24 N ATOM 0 H ARG A 24 67.133 19.695 -2.228 1.00 0.20 H new ATOM 0 HA ARG A 24 68.469 18.800 -4.686 1.00 0.23 H new ATOM 0 HB2 ARG A 24 66.298 20.848 -3.993 1.00 0.24 H new ATOM 0 HB3 ARG A 24 66.841 20.552 -5.633 1.00 0.24 H new ATOM 0 HG2 ARG A 24 66.215 18.136 -5.414 1.00 0.34 H new ATOM 0 HG3 ARG A 24 65.694 18.414 -3.764 1.00 0.34 H new ATOM 0 HD2 ARG A 24 64.007 20.087 -4.579 1.00 0.51 H new ATOM 0 HD3 ARG A 24 64.527 19.808 -6.229 1.00 0.51 H new ATOM 0 HE ARG A 24 63.890 17.221 -5.351 1.00 0.97 H new ATOM 0 HH11 ARG A 24 62.353 20.362 -5.296 1.00 1.87 H new ATOM 0 HH12 ARG A 24 60.719 19.703 -5.429 1.00 1.87 H new ATOM 0 HH21 ARG A 24 61.799 16.381 -5.524 1.00 2.24 H new ATOM 0 HH22 ARG A 24 60.409 17.469 -5.557 1.00 2.24 H new ATOM 356 N THR A 25 69.752 20.927 -5.350 1.00 0.32 N ATOM 357 CA THR A 25 70.733 22.034 -5.542 1.00 0.37 C ATOM 358 C THR A 25 70.028 23.386 -5.439 1.00 0.34 C ATOM 359 O THR A 25 70.557 24.332 -4.890 1.00 0.35 O ATOM 360 CB THR A 25 71.386 21.906 -6.920 1.00 0.45 C ATOM 361 OG1 THR A 25 72.054 20.656 -7.009 1.00 1.12 O ATOM 362 CG2 THR A 25 72.389 23.042 -7.120 1.00 1.23 C ATOM 0 H THR A 25 69.669 20.285 -6.138 1.00 0.32 H new ATOM 0 HA THR A 25 71.496 21.969 -4.766 1.00 0.37 H new ATOM 0 HB THR A 25 70.620 21.964 -7.694 1.00 0.45 H new ATOM 0 HG1 THR A 25 72.472 20.570 -7.891 1.00 1.12 H new ATOM 0 HG21 THR A 25 72.853 22.949 -8.102 1.00 1.23 H new ATOM 0 HG22 THR A 25 71.873 24.000 -7.052 1.00 1.23 H new ATOM 0 HG23 THR A 25 73.158 22.989 -6.349 1.00 1.23 H new ATOM 370 N ASN A 26 68.848 23.498 -5.986 1.00 0.32 N ATOM 371 CA ASN A 26 68.125 24.807 -5.935 1.00 0.30 C ATOM 372 C ASN A 26 67.263 24.874 -4.672 1.00 0.27 C ATOM 373 O ASN A 26 66.242 25.532 -4.642 1.00 0.25 O ATOM 374 CB ASN A 26 67.242 24.955 -7.174 1.00 0.31 C ATOM 375 CG ASN A 26 66.331 23.732 -7.298 1.00 1.30 C ATOM 376 OD1 ASN A 26 66.298 22.859 -6.329 1.00 1.98 O flip ATOM 377 ND2 ASN A 26 65.647 23.567 -8.289 1.00 2.23 N flip ATOM 0 H ASN A 26 68.353 22.745 -6.464 1.00 0.32 H new ATOM 0 HA ASN A 26 68.852 25.619 -5.914 1.00 0.30 H new ATOM 0 HB2 ASN A 26 66.643 25.863 -7.101 1.00 0.31 H new ATOM 0 HB3 ASN A 26 67.861 25.053 -8.066 1.00 0.31 H new ATOM 0 HD21 ASN A 26 65.673 24.250 -9.046 1.00 2.23 H new ATOM 0 HD22 ASN A 26 65.047 22.746 -8.363 1.00 2.23 H new ATOM 384 N GLY A 27 67.669 24.207 -3.627 1.00 0.27 N ATOM 385 CA GLY A 27 66.878 24.241 -2.366 1.00 0.26 C ATOM 386 C GLY A 27 65.646 23.347 -2.503 1.00 0.23 C ATOM 387 O GLY A 27 65.203 23.051 -3.593 1.00 0.22 O ATOM 0 H GLY A 27 68.516 23.639 -3.592 1.00 0.27 H new ATOM 0 HA2 GLY A 27 67.492 23.903 -1.531 1.00 0.26 H new ATOM 0 HA3 GLY A 27 66.574 25.264 -2.144 1.00 0.26 H new ATOM 391 N GLY A 28 65.143 22.854 -1.399 1.00 0.23 N ATOM 392 CA GLY A 28 63.983 21.902 -1.448 1.00 0.23 C ATOM 393 C GLY A 28 64.532 20.512 -1.112 1.00 0.23 C ATOM 394 O GLY A 28 65.711 20.268 -1.267 1.00 0.24 O ATOM 0 H GLY A 28 65.484 23.068 -0.462 1.00 0.23 H new ATOM 0 HA2 GLY A 28 63.213 22.195 -0.735 1.00 0.23 H new ATOM 0 HA3 GLY A 28 63.522 21.906 -2.436 1.00 0.23 H new ATOM 398 N TYR A 29 63.704 19.588 -0.680 1.00 0.22 N ATOM 399 CA TYR A 29 64.214 18.210 -0.366 1.00 0.21 C ATOM 400 C TYR A 29 63.596 17.199 -1.329 1.00 0.20 C ATOM 401 O TYR A 29 62.466 17.331 -1.754 1.00 0.21 O ATOM 402 CB TYR A 29 63.865 17.827 1.082 1.00 0.24 C ATOM 403 CG TYR A 29 64.858 18.474 2.027 1.00 0.27 C ATOM 404 CD1 TYR A 29 66.154 17.941 2.166 1.00 0.27 C ATOM 405 CD2 TYR A 29 64.488 19.608 2.760 1.00 0.31 C ATOM 406 CE1 TYR A 29 67.067 18.547 3.037 1.00 0.32 C ATOM 407 CE2 TYR A 29 65.405 20.212 3.629 1.00 0.35 C ATOM 408 CZ TYR A 29 66.693 19.681 3.768 1.00 0.36 C ATOM 409 OH TYR A 29 67.595 20.278 4.625 1.00 0.42 O ATOM 0 H TYR A 29 62.704 19.725 -0.532 1.00 0.22 H new ATOM 0 HA TYR A 29 65.298 18.203 -0.480 1.00 0.21 H new ATOM 0 HB2 TYR A 29 62.853 18.152 1.322 1.00 0.24 H new ATOM 0 HB3 TYR A 29 63.888 16.744 1.199 1.00 0.24 H new ATOM 0 HD1 TYR A 29 66.443 17.067 1.602 1.00 0.27 H new ATOM 0 HD2 TYR A 29 63.494 20.017 2.655 1.00 0.31 H new ATOM 0 HE1 TYR A 29 68.061 18.139 3.145 1.00 0.32 H new ATOM 0 HE2 TYR A 29 65.119 21.088 4.192 1.00 0.35 H new ATOM 0 HH TYR A 29 67.176 21.053 5.053 1.00 0.42 H new ATOM 419 N ASN A 30 64.351 16.190 -1.671 1.00 0.19 N ATOM 420 CA ASN A 30 63.866 15.137 -2.614 1.00 0.20 C ATOM 421 C ASN A 30 63.946 13.780 -1.917 1.00 0.19 C ATOM 422 O ASN A 30 64.823 13.546 -1.109 1.00 0.21 O ATOM 423 CB ASN A 30 64.769 15.140 -3.854 1.00 0.23 C ATOM 424 CG ASN A 30 64.266 14.120 -4.880 1.00 0.27 C ATOM 425 OD1 ASN A 30 63.074 13.956 -5.057 1.00 0.42 O ATOM 426 ND2 ASN A 30 65.133 13.428 -5.573 1.00 0.35 N ATOM 0 H ASN A 30 65.302 16.047 -1.331 1.00 0.19 H new ATOM 0 HA ASN A 30 62.836 15.331 -2.912 1.00 0.20 H new ATOM 0 HB2 ASN A 30 64.785 16.135 -4.298 1.00 0.23 H new ATOM 0 HB3 ASN A 30 65.793 14.902 -3.567 1.00 0.23 H new ATOM 0 HD21 ASN A 30 64.810 12.750 -6.263 1.00 0.35 H new ATOM 0 HD22 ASN A 30 66.132 13.567 -5.424 1.00 0.35 H new ATOM 433 N THR A 31 63.033 12.885 -2.216 1.00 0.18 N ATOM 434 CA THR A 31 63.032 11.535 -1.570 1.00 0.17 C ATOM 435 C THR A 31 63.278 10.499 -2.665 1.00 0.15 C ATOM 436 O THR A 31 62.635 10.529 -3.696 1.00 0.17 O ATOM 437 CB THR A 31 61.651 11.337 -0.941 1.00 0.21 C ATOM 438 OG1 THR A 31 61.434 12.359 0.020 1.00 0.28 O ATOM 439 CG2 THR A 31 61.522 9.977 -0.252 1.00 0.23 C ATOM 0 H THR A 31 62.281 13.036 -2.888 1.00 0.18 H new ATOM 0 HA THR A 31 63.801 11.437 -0.804 1.00 0.17 H new ATOM 0 HB THR A 31 60.910 11.381 -1.739 1.00 0.21 H new ATOM 0 HG1 THR A 31 60.551 12.242 0.428 1.00 0.28 H new ATOM 0 HG21 THR A 31 60.526 9.881 0.180 1.00 0.23 H new ATOM 0 HG22 THR A 31 61.679 9.183 -0.982 1.00 0.23 H new ATOM 0 HG23 THR A 31 62.269 9.897 0.538 1.00 0.23 H new ATOM 447 N SER A 32 64.203 9.597 -2.488 1.00 0.15 N ATOM 448 CA SER A 32 64.462 8.605 -3.572 1.00 0.16 C ATOM 449 C SER A 32 65.025 7.302 -3.005 1.00 0.16 C ATOM 450 O SER A 32 65.450 7.221 -1.868 1.00 0.17 O ATOM 451 CB SER A 32 65.461 9.199 -4.563 1.00 0.20 C ATOM 452 OG SER A 32 66.713 9.382 -3.915 1.00 0.27 O ATOM 0 H SER A 32 64.783 9.503 -1.654 1.00 0.15 H new ATOM 0 HA SER A 32 63.519 8.381 -4.071 1.00 0.16 H new ATOM 0 HB2 SER A 32 65.576 8.537 -5.422 1.00 0.20 H new ATOM 0 HB3 SER A 32 65.092 10.152 -4.942 1.00 0.20 H new ATOM 0 HG SER A 32 67.357 9.762 -4.549 1.00 0.27 H new ATOM 458 N SER A 33 65.020 6.282 -3.819 1.00 0.16 N ATOM 459 CA SER A 33 65.537 4.950 -3.395 1.00 0.16 C ATOM 460 C SER A 33 66.335 4.328 -4.541 1.00 0.14 C ATOM 461 O SER A 33 66.038 4.529 -5.702 1.00 0.15 O ATOM 462 CB SER A 33 64.358 4.039 -3.043 1.00 0.18 C ATOM 463 OG SER A 33 63.661 4.584 -1.932 1.00 0.24 O ATOM 0 H SER A 33 64.673 6.317 -4.778 1.00 0.16 H new ATOM 0 HA SER A 33 66.182 5.067 -2.524 1.00 0.16 H new ATOM 0 HB2 SER A 33 63.688 3.945 -3.897 1.00 0.18 H new ATOM 0 HB3 SER A 33 64.715 3.037 -2.807 1.00 0.18 H new ATOM 0 HG SER A 33 63.965 4.147 -1.109 1.00 0.24 H new ATOM 469 N ILE A 34 67.344 3.565 -4.219 1.00 0.14 N ATOM 470 CA ILE A 34 68.176 2.915 -5.278 1.00 0.14 C ATOM 471 C ILE A 34 68.604 1.528 -4.799 1.00 0.13 C ATOM 472 O ILE A 34 68.926 1.332 -3.644 1.00 0.16 O ATOM 473 CB ILE A 34 69.411 3.778 -5.544 1.00 0.17 C ATOM 474 CG1 ILE A 34 70.216 3.179 -6.701 1.00 0.21 C ATOM 475 CG2 ILE A 34 70.285 3.828 -4.289 1.00 0.17 C ATOM 476 CD1 ILE A 34 71.293 4.171 -7.139 1.00 0.28 C ATOM 0 H ILE A 34 67.631 3.361 -3.262 1.00 0.14 H new ATOM 0 HA ILE A 34 67.600 2.816 -6.198 1.00 0.14 H new ATOM 0 HB ILE A 34 69.094 4.788 -5.805 1.00 0.17 H new ATOM 0 HG12 ILE A 34 70.675 2.240 -6.391 1.00 0.21 H new ATOM 0 HG13 ILE A 34 69.556 2.950 -7.537 1.00 0.21 H new ATOM 0 HG21 ILE A 34 71.164 4.443 -4.482 1.00 0.17 H new ATOM 0 HG22 ILE A 34 69.715 4.258 -3.465 1.00 0.17 H new ATOM 0 HG23 ILE A 34 70.600 2.819 -4.025 1.00 0.17 H new ATOM 0 HD11 ILE A 34 71.866 3.745 -7.962 1.00 0.28 H new ATOM 0 HD12 ILE A 34 70.822 5.098 -7.466 1.00 0.28 H new ATOM 0 HD13 ILE A 34 71.959 4.378 -6.302 1.00 0.28 H new ATOM 488 N ASP A 35 68.604 0.556 -5.672 1.00 0.14 N ATOM 489 CA ASP A 35 69.002 -0.822 -5.253 1.00 0.14 C ATOM 490 C ASP A 35 70.528 -0.947 -5.294 1.00 0.13 C ATOM 491 O ASP A 35 71.138 -0.859 -6.340 1.00 0.14 O ATOM 492 CB ASP A 35 68.383 -1.848 -6.208 1.00 0.15 C ATOM 493 CG ASP A 35 68.530 -3.250 -5.609 1.00 0.16 C ATOM 494 OD1 ASP A 35 69.144 -3.363 -4.560 1.00 0.18 O ATOM 495 OD2 ASP A 35 68.034 -4.187 -6.214 1.00 0.20 O ATOM 0 H ASP A 35 68.347 0.655 -6.654 1.00 0.14 H new ATOM 0 HA ASP A 35 68.647 -1.008 -4.239 1.00 0.14 H new ATOM 0 HB2 ASP A 35 67.330 -1.619 -6.373 1.00 0.15 H new ATOM 0 HB3 ASP A 35 68.876 -1.801 -7.179 1.00 0.15 H new ATOM 500 N LEU A 36 71.148 -1.176 -4.168 1.00 0.13 N ATOM 501 CA LEU A 36 72.631 -1.330 -4.148 1.00 0.14 C ATOM 502 C LEU A 36 72.979 -2.749 -4.598 1.00 0.13 C ATOM 503 O LEU A 36 74.130 -3.104 -4.753 1.00 0.13 O ATOM 504 CB LEU A 36 73.158 -1.130 -2.725 1.00 0.16 C ATOM 505 CG LEU A 36 72.798 0.266 -2.200 1.00 0.17 C ATOM 506 CD1 LEU A 36 73.009 0.304 -0.680 1.00 0.22 C ATOM 507 CD2 LEU A 36 73.693 1.324 -2.857 1.00 0.24 C ATOM 0 H LEU A 36 70.691 -1.263 -3.260 1.00 0.13 H new ATOM 0 HA LEU A 36 73.081 -0.591 -4.810 1.00 0.14 H new ATOM 0 HB2 LEU A 36 72.737 -1.890 -2.067 1.00 0.16 H new ATOM 0 HB3 LEU A 36 74.240 -1.260 -2.712 1.00 0.16 H new ATOM 0 HG LEU A 36 71.756 0.479 -2.439 1.00 0.17 H new ATOM 0 HD11 LEU A 36 72.755 1.294 -0.302 1.00 0.22 H new ATOM 0 HD12 LEU A 36 72.370 -0.441 -0.205 1.00 0.22 H new ATOM 0 HD13 LEU A 36 74.052 0.086 -0.452 1.00 0.22 H new ATOM 0 HD21 LEU A 36 73.429 2.311 -2.477 1.00 0.24 H new ATOM 0 HD22 LEU A 36 74.737 1.113 -2.624 1.00 0.24 H new ATOM 0 HD23 LEU A 36 73.550 1.301 -3.937 1.00 0.24 H new ATOM 519 N ASN A 37 71.988 -3.568 -4.793 1.00 0.13 N ATOM 520 CA ASN A 37 72.245 -4.975 -5.206 1.00 0.12 C ATOM 521 C ASN A 37 73.026 -4.995 -6.522 1.00 0.11 C ATOM 522 O ASN A 37 73.865 -5.845 -6.743 1.00 0.11 O ATOM 523 CB ASN A 37 70.902 -5.689 -5.385 1.00 0.14 C ATOM 524 CG ASN A 37 71.129 -7.179 -5.644 1.00 0.15 C ATOM 525 OD1 ASN A 37 71.498 -7.570 -6.734 1.00 0.24 O ATOM 526 ND2 ASN A 37 70.911 -8.031 -4.678 1.00 0.22 N ATOM 0 H ASN A 37 71.004 -3.323 -4.684 1.00 0.13 H new ATOM 0 HA ASN A 37 72.834 -5.484 -4.443 1.00 0.12 H new ATOM 0 HB2 ASN A 37 70.289 -5.556 -4.493 1.00 0.14 H new ATOM 0 HB3 ASN A 37 70.354 -5.247 -6.217 1.00 0.14 H new ATOM 0 HD21 ASN A 37 71.050 -9.029 -4.837 1.00 0.22 H new ATOM 0 HD22 ASN A 37 70.601 -7.698 -3.765 1.00 0.22 H new ATOM 533 N SER A 38 72.740 -4.086 -7.408 1.00 0.12 N ATOM 534 CA SER A 38 73.445 -4.066 -8.722 1.00 0.12 C ATOM 535 C SER A 38 74.895 -3.576 -8.585 1.00 0.12 C ATOM 536 O SER A 38 75.584 -3.443 -9.576 1.00 0.13 O ATOM 537 CB SER A 38 72.692 -3.137 -9.675 1.00 0.12 C ATOM 538 OG SER A 38 72.846 -1.792 -9.240 1.00 1.29 O ATOM 0 H SER A 38 72.045 -3.351 -7.280 1.00 0.12 H new ATOM 0 HA SER A 38 73.469 -5.085 -9.109 1.00 0.12 H new ATOM 0 HB2 SER A 38 73.075 -3.249 -10.689 1.00 0.12 H new ATOM 0 HB3 SER A 38 71.636 -3.404 -9.702 1.00 0.12 H new ATOM 0 HG SER A 38 72.366 -1.194 -9.850 1.00 1.29 H new ATOM 544 N VAL A 39 75.366 -3.263 -7.393 1.00 0.12 N ATOM 545 CA VAL A 39 76.779 -2.750 -7.267 1.00 0.13 C ATOM 546 C VAL A 39 77.542 -3.416 -6.099 1.00 0.14 C ATOM 547 O VAL A 39 78.717 -3.165 -5.927 1.00 0.16 O ATOM 548 CB VAL A 39 76.737 -1.224 -7.066 1.00 0.14 C ATOM 549 CG1 VAL A 39 76.486 -0.532 -8.410 1.00 0.15 C ATOM 550 CG2 VAL A 39 75.603 -0.861 -6.107 1.00 0.17 C ATOM 0 H VAL A 39 74.846 -3.338 -6.518 1.00 0.12 H new ATOM 0 HA VAL A 39 77.315 -3.001 -8.182 1.00 0.13 H new ATOM 0 HB VAL A 39 77.691 -0.896 -6.653 1.00 0.14 H new ATOM 0 HG11 VAL A 39 76.457 0.548 -8.263 1.00 0.15 H new ATOM 0 HG12 VAL A 39 77.289 -0.783 -9.104 1.00 0.15 H new ATOM 0 HG13 VAL A 39 75.534 -0.868 -8.820 1.00 0.15 H new ATOM 0 HG21 VAL A 39 75.577 0.220 -5.967 1.00 0.17 H new ATOM 0 HG22 VAL A 39 74.653 -1.196 -6.523 1.00 0.17 H new ATOM 0 HG23 VAL A 39 75.770 -1.347 -5.146 1.00 0.17 H new ATOM 560 N ILE A 40 76.911 -4.259 -5.304 1.00 0.14 N ATOM 561 CA ILE A 40 77.645 -4.922 -4.152 1.00 0.15 C ATOM 562 C ILE A 40 77.745 -6.446 -4.339 1.00 0.13 C ATOM 563 O ILE A 40 76.785 -7.113 -4.667 1.00 0.13 O ATOM 564 CB ILE A 40 76.932 -4.619 -2.829 1.00 0.17 C ATOM 565 CG1 ILE A 40 76.967 -3.115 -2.573 1.00 0.24 C ATOM 566 CG2 ILE A 40 77.652 -5.328 -1.678 1.00 0.17 C ATOM 567 CD1 ILE A 40 76.013 -2.762 -1.433 1.00 0.27 C ATOM 0 H ILE A 40 75.929 -4.518 -5.397 1.00 0.14 H new ATOM 0 HA ILE A 40 78.656 -4.515 -4.132 1.00 0.15 H new ATOM 0 HB ILE A 40 75.901 -4.969 -2.890 1.00 0.17 H new ATOM 0 HG12 ILE A 40 77.981 -2.803 -2.321 1.00 0.24 H new ATOM 0 HG13 ILE A 40 76.683 -2.576 -3.477 1.00 0.24 H new ATOM 0 HG21 ILE A 40 77.142 -5.110 -0.740 1.00 0.17 H new ATOM 0 HG22 ILE A 40 77.646 -6.404 -1.853 1.00 0.17 H new ATOM 0 HG23 ILE A 40 78.682 -4.976 -1.621 1.00 0.17 H new ATOM 0 HD11 ILE A 40 76.042 -1.687 -1.254 1.00 0.27 H new ATOM 0 HD12 ILE A 40 74.999 -3.058 -1.702 1.00 0.27 H new ATOM 0 HD13 ILE A 40 76.317 -3.289 -0.528 1.00 0.27 H new ATOM 579 N GLU A 41 78.932 -6.986 -4.123 1.00 0.14 N ATOM 580 CA GLU A 41 79.173 -8.469 -4.262 1.00 0.13 C ATOM 581 C GLU A 41 79.711 -9.011 -2.934 1.00 0.12 C ATOM 582 O GLU A 41 80.310 -8.291 -2.170 1.00 0.12 O ATOM 583 CB GLU A 41 80.239 -8.716 -5.344 1.00 0.16 C ATOM 584 CG GLU A 41 80.659 -10.191 -5.367 1.00 0.19 C ATOM 585 CD GLU A 41 81.520 -10.451 -6.603 1.00 0.24 C ATOM 586 OE1 GLU A 41 81.743 -9.515 -7.352 1.00 0.33 O ATOM 587 OE2 GLU A 41 81.943 -11.582 -6.780 1.00 0.30 O ATOM 0 H GLU A 41 79.757 -6.451 -3.852 1.00 0.14 H new ATOM 0 HA GLU A 41 78.240 -8.963 -4.532 1.00 0.13 H new ATOM 0 HB2 GLU A 41 79.847 -8.430 -6.320 1.00 0.16 H new ATOM 0 HB3 GLU A 41 81.109 -8.088 -5.154 1.00 0.16 H new ATOM 0 HG2 GLU A 41 81.216 -10.437 -4.463 1.00 0.19 H new ATOM 0 HG3 GLU A 41 79.778 -10.832 -5.382 1.00 0.19 H new ATOM 594 N ASN A 42 79.547 -10.288 -2.678 1.00 0.12 N ATOM 595 CA ASN A 42 80.087 -10.904 -1.428 1.00 0.12 C ATOM 596 C ASN A 42 81.406 -11.597 -1.787 1.00 0.12 C ATOM 597 O ASN A 42 81.431 -12.493 -2.607 1.00 0.12 O ATOM 598 CB ASN A 42 79.087 -11.940 -0.905 1.00 0.14 C ATOM 599 CG ASN A 42 79.556 -12.469 0.453 1.00 0.14 C ATOM 600 OD1 ASN A 42 80.500 -11.960 1.025 1.00 0.19 O ATOM 601 ND2 ASN A 42 78.929 -13.477 0.997 1.00 0.27 N ATOM 0 H ASN A 42 79.055 -10.936 -3.292 1.00 0.12 H new ATOM 0 HA ASN A 42 80.249 -10.149 -0.659 1.00 0.12 H new ATOM 0 HB2 ASN A 42 78.099 -11.490 -0.809 1.00 0.14 H new ATOM 0 HB3 ASN A 42 78.996 -12.762 -1.615 1.00 0.14 H new ATOM 0 HD21 ASN A 42 79.231 -13.837 1.902 1.00 0.27 H new ATOM 0 HD22 ASN A 42 78.137 -13.904 0.517 1.00 0.27 H new ATOM 608 N VAL A 43 82.505 -11.182 -1.195 1.00 0.12 N ATOM 609 CA VAL A 43 83.830 -11.812 -1.525 1.00 0.14 C ATOM 610 C VAL A 43 84.360 -12.613 -0.335 1.00 0.13 C ATOM 611 O VAL A 43 85.013 -12.100 0.551 1.00 0.13 O ATOM 612 CB VAL A 43 84.831 -10.713 -1.881 1.00 0.16 C ATOM 613 CG1 VAL A 43 86.191 -11.341 -2.193 1.00 0.21 C ATOM 614 CG2 VAL A 43 84.325 -9.960 -3.112 1.00 0.22 C ATOM 0 H VAL A 43 82.543 -10.437 -0.500 1.00 0.12 H new ATOM 0 HA VAL A 43 83.697 -12.489 -2.369 1.00 0.14 H new ATOM 0 HB VAL A 43 84.936 -10.025 -1.042 1.00 0.16 H new ATOM 0 HG11 VAL A 43 86.904 -10.557 -2.447 1.00 0.21 H new ATOM 0 HG12 VAL A 43 86.548 -11.888 -1.320 1.00 0.21 H new ATOM 0 HG13 VAL A 43 86.091 -12.026 -3.035 1.00 0.21 H new ATOM 0 HG21 VAL A 43 85.033 -9.174 -3.374 1.00 0.22 H new ATOM 0 HG22 VAL A 43 84.227 -10.653 -3.948 1.00 0.22 H new ATOM 0 HG23 VAL A 43 83.354 -9.516 -2.893 1.00 0.22 H new ATOM 624 N ASP A 44 84.106 -13.889 -0.347 1.00 0.13 N ATOM 625 CA ASP A 44 84.606 -14.791 0.726 1.00 0.14 C ATOM 626 C ASP A 44 84.442 -14.169 2.117 1.00 0.13 C ATOM 627 O ASP A 44 85.314 -14.308 2.953 1.00 0.14 O ATOM 628 CB ASP A 44 86.086 -15.091 0.474 1.00 0.16 C ATOM 629 CG ASP A 44 86.535 -16.248 1.374 1.00 0.17 C ATOM 630 OD1 ASP A 44 85.841 -16.525 2.340 1.00 0.16 O ATOM 631 OD2 ASP A 44 87.563 -16.835 1.082 1.00 0.23 O ATOM 0 H ASP A 44 83.561 -14.356 -1.072 1.00 0.13 H new ATOM 0 HA ASP A 44 84.017 -15.708 0.701 1.00 0.14 H new ATOM 0 HB2 ASP A 44 86.242 -15.350 -0.573 1.00 0.16 H new ATOM 0 HB3 ASP A 44 86.687 -14.205 0.677 1.00 0.16 H new ATOM 636 N GLY A 45 83.328 -13.525 2.397 1.00 0.14 N ATOM 637 CA GLY A 45 83.118 -12.948 3.771 1.00 0.16 C ATOM 638 C GLY A 45 82.916 -11.426 3.770 1.00 0.14 C ATOM 639 O GLY A 45 82.355 -10.900 4.710 1.00 0.13 O ATOM 0 H GLY A 45 82.562 -13.375 1.741 1.00 0.14 H new ATOM 0 HA2 GLY A 45 82.249 -13.422 4.227 1.00 0.16 H new ATOM 0 HA3 GLY A 45 83.978 -13.192 4.395 1.00 0.16 H new ATOM 643 N SER A 46 83.397 -10.690 2.787 1.00 0.14 N ATOM 644 CA SER A 46 83.259 -9.189 2.823 1.00 0.14 C ATOM 645 C SER A 46 82.505 -8.641 1.609 1.00 0.13 C ATOM 646 O SER A 46 82.711 -9.057 0.487 1.00 0.15 O ATOM 647 CB SER A 46 84.659 -8.574 2.845 1.00 0.16 C ATOM 648 OG SER A 46 84.548 -7.160 2.959 1.00 1.34 O ATOM 0 H SER A 46 83.876 -11.060 1.966 1.00 0.14 H new ATOM 0 HA SER A 46 82.688 -8.928 3.714 1.00 0.14 H new ATOM 0 HB2 SER A 46 85.232 -8.974 3.682 1.00 0.16 H new ATOM 0 HB3 SER A 46 85.199 -8.836 1.935 1.00 0.16 H new ATOM 0 HG SER A 46 85.443 -6.762 2.975 1.00 1.34 H new ATOM 654 N LEU A 47 81.669 -7.662 1.835 1.00 0.12 N ATOM 655 CA LEU A 47 80.924 -7.014 0.718 1.00 0.12 C ATOM 656 C LEU A 47 81.853 -6.033 -0.007 1.00 0.13 C ATOM 657 O LEU A 47 82.502 -5.211 0.610 1.00 0.15 O ATOM 658 CB LEU A 47 79.718 -6.247 1.279 1.00 0.14 C ATOM 659 CG LEU A 47 78.786 -7.217 2.016 1.00 0.15 C ATOM 660 CD1 LEU A 47 77.616 -6.431 2.616 1.00 0.25 C ATOM 661 CD2 LEU A 47 78.251 -8.277 1.033 1.00 0.25 C ATOM 0 H LEU A 47 81.469 -7.280 2.759 1.00 0.12 H new ATOM 0 HA LEU A 47 80.577 -7.778 0.022 1.00 0.12 H new ATOM 0 HB2 LEU A 47 80.056 -5.465 1.959 1.00 0.14 H new ATOM 0 HB3 LEU A 47 79.179 -5.754 0.469 1.00 0.14 H new ATOM 0 HG LEU A 47 79.337 -7.718 2.812 1.00 0.15 H new ATOM 0 HD11 LEU A 47 76.950 -7.115 3.141 1.00 0.25 H new ATOM 0 HD12 LEU A 47 77.998 -5.687 3.316 1.00 0.25 H new ATOM 0 HD13 LEU A 47 77.067 -5.930 1.818 1.00 0.25 H new ATOM 0 HD21 LEU A 47 77.590 -8.963 1.562 1.00 0.25 H new ATOM 0 HD22 LEU A 47 77.698 -7.785 0.233 1.00 0.25 H new ATOM 0 HD23 LEU A 47 79.086 -8.834 0.608 1.00 0.25 H new ATOM 673 N LYS A 48 81.908 -6.113 -1.323 1.00 0.13 N ATOM 674 CA LYS A 48 82.783 -5.183 -2.120 1.00 0.16 C ATOM 675 C LYS A 48 81.928 -4.471 -3.170 1.00 0.15 C ATOM 676 O LYS A 48 80.802 -4.840 -3.410 1.00 0.14 O ATOM 677 CB LYS A 48 83.902 -5.964 -2.828 1.00 0.21 C ATOM 678 CG LYS A 48 84.918 -6.500 -1.800 1.00 0.28 C ATOM 679 CD LYS A 48 86.279 -6.711 -2.474 1.00 0.87 C ATOM 680 CE LYS A 48 87.189 -7.522 -1.549 1.00 1.19 C ATOM 681 NZ LYS A 48 88.490 -7.775 -2.233 1.00 1.84 N ATOM 0 H LYS A 48 81.382 -6.786 -1.880 1.00 0.13 H new ATOM 0 HA LYS A 48 83.235 -4.459 -1.443 1.00 0.16 H new ATOM 0 HB2 LYS A 48 83.475 -6.793 -3.392 1.00 0.21 H new ATOM 0 HB3 LYS A 48 84.408 -5.317 -3.545 1.00 0.21 H new ATOM 0 HG2 LYS A 48 85.017 -5.797 -0.973 1.00 0.28 H new ATOM 0 HG3 LYS A 48 84.561 -7.440 -1.379 1.00 0.28 H new ATOM 0 HD2 LYS A 48 86.150 -7.233 -3.422 1.00 0.87 H new ATOM 0 HD3 LYS A 48 86.738 -5.748 -2.700 1.00 0.87 H new ATOM 0 HE2 LYS A 48 87.354 -6.981 -0.617 1.00 1.19 H new ATOM 0 HE3 LYS A 48 86.712 -8.467 -1.289 1.00 1.19 H new ATOM 0 HZ1 LYS A 48 89.110 -8.326 -1.606 1.00 1.84 H new ATOM 0 HZ2 LYS A 48 88.323 -8.308 -3.111 1.00 1.84 H new ATOM 0 HZ3 LYS A 48 88.945 -6.868 -2.460 1.00 1.84 H new ATOM 695 N TRP A 49 82.455 -3.457 -3.797 1.00 0.14 N ATOM 696 CA TRP A 49 81.660 -2.708 -4.826 1.00 0.13 C ATOM 697 C TRP A 49 81.616 -3.460 -6.172 1.00 0.13 C ATOM 698 O TRP A 49 82.377 -3.162 -7.072 1.00 0.13 O ATOM 699 CB TRP A 49 82.311 -1.334 -5.053 1.00 0.13 C ATOM 700 CG TRP A 49 81.998 -0.435 -3.901 1.00 0.13 C ATOM 701 CD1 TRP A 49 82.885 -0.027 -2.962 1.00 0.14 C ATOM 702 CD2 TRP A 49 80.723 0.171 -3.550 1.00 0.15 C ATOM 703 NE1 TRP A 49 82.232 0.791 -2.057 1.00 0.14 N ATOM 704 CE2 TRP A 49 80.898 0.946 -2.379 1.00 0.15 C ATOM 705 CE3 TRP A 49 79.443 0.122 -4.129 1.00 0.18 C ATOM 706 CZ2 TRP A 49 79.841 1.652 -1.808 1.00 0.17 C ATOM 707 CZ3 TRP A 49 78.375 0.831 -3.556 1.00 0.21 C ATOM 708 CH2 TRP A 49 78.574 1.598 -2.399 1.00 0.20 C ATOM 0 H TRP A 49 83.402 -3.110 -3.645 1.00 0.14 H new ATOM 0 HA TRP A 49 80.640 -2.606 -4.457 1.00 0.13 H new ATOM 0 HB2 TRP A 49 83.390 -1.445 -5.158 1.00 0.13 H new ATOM 0 HB3 TRP A 49 81.943 -0.895 -5.980 1.00 0.13 H new ATOM 0 HD1 TRP A 49 83.930 -0.296 -2.926 1.00 0.14 H new ATOM 0 HE1 TRP A 49 82.681 1.226 -1.251 1.00 0.14 H new ATOM 0 HE3 TRP A 49 79.280 -0.465 -5.021 1.00 0.18 H new ATOM 0 HZ2 TRP A 49 79.999 2.238 -0.914 1.00 0.17 H new ATOM 0 HZ3 TRP A 49 77.395 0.785 -4.009 1.00 0.21 H new ATOM 0 HH2 TRP A 49 77.751 2.146 -1.965 1.00 0.20 H new ATOM 719 N GLN A 50 80.737 -4.423 -6.328 1.00 0.12 N ATOM 720 CA GLN A 50 80.661 -5.169 -7.628 1.00 0.13 C ATOM 721 C GLN A 50 79.310 -5.932 -7.664 1.00 0.12 C ATOM 722 O GLN A 50 78.888 -6.452 -6.660 1.00 0.13 O ATOM 723 CB GLN A 50 81.841 -6.161 -7.688 1.00 0.16 C ATOM 724 CG GLN A 50 82.159 -6.562 -9.133 1.00 0.26 C ATOM 725 CD GLN A 50 83.512 -7.276 -9.174 1.00 1.10 C ATOM 726 OE1 GLN A 50 84.313 -7.030 -10.053 1.00 1.88 O ATOM 727 NE2 GLN A 50 83.804 -8.155 -8.254 1.00 1.92 N ATOM 0 H GLN A 50 80.072 -4.724 -5.616 1.00 0.12 H new ATOM 0 HA GLN A 50 80.719 -4.493 -8.481 1.00 0.13 H new ATOM 0 HB2 GLN A 50 82.722 -5.710 -7.231 1.00 0.16 H new ATOM 0 HB3 GLN A 50 81.601 -7.051 -7.106 1.00 0.16 H new ATOM 0 HG2 GLN A 50 81.378 -7.216 -9.521 1.00 0.26 H new ATOM 0 HG3 GLN A 50 82.182 -5.679 -9.771 1.00 0.26 H new ATOM 0 HE21 GLN A 50 83.132 -8.362 -7.515 1.00 1.92 H new ATOM 0 HE22 GLN A 50 84.704 -8.634 -8.274 1.00 1.92 H new ATOM 736 N PRO A 51 78.617 -5.990 -8.789 1.00 0.11 N ATOM 737 CA PRO A 51 77.292 -6.707 -8.878 1.00 0.11 C ATOM 738 C PRO A 51 77.408 -8.230 -8.673 1.00 0.12 C ATOM 739 O PRO A 51 78.408 -8.833 -9.003 1.00 0.14 O ATOM 740 CB PRO A 51 76.798 -6.399 -10.307 1.00 0.13 C ATOM 741 CG PRO A 51 78.027 -6.039 -11.079 1.00 0.15 C ATOM 742 CD PRO A 51 78.985 -5.382 -10.085 1.00 0.14 C ATOM 0 HA PRO A 51 76.615 -6.372 -8.093 1.00 0.11 H new ATOM 0 HB2 PRO A 51 76.297 -7.262 -10.745 1.00 0.13 H new ATOM 0 HB3 PRO A 51 76.079 -5.580 -10.307 1.00 0.13 H new ATOM 0 HG2 PRO A 51 78.478 -6.925 -11.526 1.00 0.15 H new ATOM 0 HG3 PRO A 51 77.787 -5.358 -11.895 1.00 0.15 H new ATOM 0 HD2 PRO A 51 80.026 -5.582 -10.340 1.00 0.14 H new ATOM 0 HD3 PRO A 51 78.864 -4.299 -10.068 1.00 0.14 H new ATOM 750 N SER A 52 76.375 -8.853 -8.140 1.00 0.11 N ATOM 751 CA SER A 52 76.404 -10.337 -7.925 1.00 0.12 C ATOM 752 C SER A 52 75.266 -10.760 -6.978 1.00 0.15 C ATOM 753 O SER A 52 75.268 -11.853 -6.447 1.00 0.32 O ATOM 754 CB SER A 52 77.755 -10.748 -7.327 1.00 0.12 C ATOM 755 OG SER A 52 78.657 -11.068 -8.378 1.00 0.29 O ATOM 0 H SER A 52 75.513 -8.394 -7.845 1.00 0.11 H new ATOM 0 HA SER A 52 76.267 -10.835 -8.885 1.00 0.12 H new ATOM 0 HB2 SER A 52 78.159 -9.937 -6.720 1.00 0.12 H new ATOM 0 HB3 SER A 52 77.628 -11.607 -6.668 1.00 0.12 H new ATOM 0 HG SER A 52 78.704 -10.319 -9.008 1.00 0.29 H new ATOM 761 N ASN A 53 74.292 -9.916 -6.766 1.00 0.16 N ATOM 762 CA ASN A 53 73.164 -10.297 -5.862 1.00 0.16 C ATOM 763 C ASN A 53 73.707 -10.688 -4.478 1.00 0.10 C ATOM 764 O ASN A 53 73.480 -11.780 -3.999 1.00 0.12 O ATOM 765 CB ASN A 53 72.411 -11.484 -6.473 1.00 0.23 C ATOM 766 CG ASN A 53 71.033 -11.611 -5.819 1.00 0.28 C ATOM 767 OD1 ASN A 53 70.748 -10.943 -4.844 1.00 0.27 O ATOM 768 ND2 ASN A 53 70.160 -12.442 -6.319 1.00 0.48 N ATOM 0 H ASN A 53 74.227 -8.984 -7.176 1.00 0.16 H new ATOM 0 HA ASN A 53 72.488 -9.449 -5.749 1.00 0.16 H new ATOM 0 HB2 ASN A 53 72.302 -11.344 -7.548 1.00 0.23 H new ATOM 0 HB3 ASN A 53 72.980 -12.402 -6.327 1.00 0.23 H new ATOM 0 HD21 ASN A 53 69.238 -12.531 -5.892 1.00 0.48 H new ATOM 0 HD22 ASN A 53 70.400 -13.002 -7.137 1.00 0.48 H new ATOM 775 N PHE A 54 74.436 -9.809 -3.843 1.00 0.09 N ATOM 776 CA PHE A 54 75.018 -10.129 -2.502 1.00 0.09 C ATOM 777 C PHE A 54 73.928 -10.467 -1.470 1.00 0.09 C ATOM 778 O PHE A 54 74.103 -11.329 -0.627 1.00 0.14 O ATOM 779 CB PHE A 54 75.825 -8.917 -1.998 1.00 0.11 C ATOM 780 CG PHE A 54 74.906 -7.878 -1.372 1.00 0.10 C ATOM 781 CD1 PHE A 54 74.332 -6.868 -2.156 1.00 0.12 C ATOM 782 CD2 PHE A 54 74.631 -7.935 0.003 1.00 0.11 C ATOM 783 CE1 PHE A 54 73.487 -5.913 -1.562 1.00 0.13 C ATOM 784 CE2 PHE A 54 73.787 -6.983 0.592 1.00 0.12 C ATOM 785 CZ PHE A 54 73.215 -5.973 -0.191 1.00 0.12 C ATOM 0 H PHE A 54 74.656 -8.877 -4.196 1.00 0.09 H new ATOM 0 HA PHE A 54 75.660 -11.003 -2.616 1.00 0.09 H new ATOM 0 HB2 PHE A 54 76.563 -9.245 -1.266 1.00 0.11 H new ATOM 0 HB3 PHE A 54 76.375 -8.471 -2.827 1.00 0.11 H new ATOM 0 HD1 PHE A 54 74.538 -6.823 -3.215 1.00 0.12 H new ATOM 0 HD2 PHE A 54 75.070 -8.714 0.609 1.00 0.11 H new ATOM 0 HE1 PHE A 54 73.048 -5.132 -2.165 1.00 0.13 H new ATOM 0 HE2 PHE A 54 73.578 -7.029 1.651 1.00 0.12 H new ATOM 0 HZ PHE A 54 72.564 -5.241 0.263 1.00 0.12 H new ATOM 795 N ILE A 55 72.834 -9.761 -1.488 1.00 11.77 N ATOM 796 CA ILE A 55 71.781 -10.008 -0.464 1.00 13.68 C ATOM 797 C ILE A 55 71.330 -11.472 -0.514 1.00 0.11 C ATOM 798 O ILE A 55 70.873 -12.022 0.468 1.00 0.12 O ATOM 799 CB ILE A 55 70.598 -9.050 -0.695 1.00 15.58 C ATOM 800 CG1 ILE A 55 69.795 -8.882 0.616 1.00 16.46 C ATOM 801 CG2 ILE A 55 69.660 -9.587 -1.786 1.00 20.33 C ATOM 802 CD1 ILE A 55 70.487 -7.872 1.546 1.00 19.63 C ATOM 0 H ILE A 55 72.623 -9.027 -2.164 1.00 11.77 H new ATOM 0 HA ILE A 55 72.187 -9.817 0.529 1.00 13.68 H new ATOM 0 HB ILE A 55 71.001 -8.089 -1.015 1.00 15.58 H new ATOM 0 HG12 ILE A 55 68.784 -8.543 0.389 1.00 16.46 H new ATOM 0 HG13 ILE A 55 69.703 -9.845 1.119 1.00 16.46 H new ATOM 0 HG21 ILE A 55 68.833 -8.892 -1.929 1.00 20.33 H new ATOM 0 HG22 ILE A 55 70.211 -9.693 -2.720 1.00 20.33 H new ATOM 0 HG23 ILE A 55 69.269 -10.558 -1.484 1.00 20.33 H new ATOM 0 HD11 ILE A 55 69.908 -7.766 2.464 1.00 19.63 H new ATOM 0 HD12 ILE A 55 71.489 -8.227 1.788 1.00 19.63 H new ATOM 0 HD13 ILE A 55 70.555 -6.905 1.047 1.00 19.63 H new ATOM 814 N GLU A 56 71.459 -12.108 -1.641 1.00 0.13 N ATOM 815 CA GLU A 56 71.042 -13.535 -1.729 1.00 0.15 C ATOM 816 C GLU A 56 71.869 -14.355 -0.731 1.00 0.13 C ATOM 817 O GLU A 56 71.410 -15.367 -0.237 1.00 0.14 O ATOM 818 CB GLU A 56 71.276 -14.065 -3.146 1.00 0.19 C ATOM 819 CG GLU A 56 70.624 -15.443 -3.287 1.00 0.23 C ATOM 820 CD GLU A 56 70.682 -15.891 -4.748 1.00 1.10 C ATOM 821 OE1 GLU A 56 71.156 -15.120 -5.566 1.00 1.62 O ATOM 822 OE2 GLU A 56 70.247 -16.997 -5.026 1.00 1.40 O ATOM 0 H GLU A 56 71.832 -11.707 -2.501 1.00 0.13 H new ATOM 0 HA GLU A 56 69.981 -13.619 -1.493 1.00 0.15 H new ATOM 0 HB2 GLU A 56 70.856 -13.375 -3.878 1.00 0.19 H new ATOM 0 HB3 GLU A 56 72.345 -14.134 -3.349 1.00 0.19 H new ATOM 0 HG2 GLU A 56 71.138 -16.166 -2.654 1.00 0.23 H new ATOM 0 HG3 GLU A 56 69.588 -15.403 -2.949 1.00 0.23 H new ATOM 829 N THR A 57 73.083 -13.935 -0.441 1.00 0.12 N ATOM 830 CA THR A 57 73.939 -14.717 0.527 1.00 0.11 C ATOM 831 C THR A 57 74.257 -13.879 1.772 1.00 0.11 C ATOM 832 O THR A 57 75.148 -14.210 2.531 1.00 0.11 O ATOM 833 CB THR A 57 75.244 -15.144 -0.152 1.00 0.13 C ATOM 834 OG1 THR A 57 76.037 -13.994 -0.413 1.00 0.14 O ATOM 835 CG2 THR A 57 74.931 -15.860 -1.467 1.00 0.18 C ATOM 0 H THR A 57 73.517 -13.096 -0.825 1.00 0.12 H new ATOM 0 HA THR A 57 73.383 -15.603 0.835 1.00 0.11 H new ATOM 0 HB THR A 57 75.789 -15.822 0.504 1.00 0.13 H new ATOM 0 HG1 THR A 57 76.794 -14.241 -0.984 1.00 0.14 H new ATOM 0 HG21 THR A 57 75.862 -16.162 -1.947 1.00 0.18 H new ATOM 0 HG22 THR A 57 74.324 -16.742 -1.265 1.00 0.18 H new ATOM 0 HG23 THR A 57 74.384 -15.186 -2.127 1.00 0.18 H new ATOM 843 N CYS A 58 73.531 -12.817 2.009 1.00 0.10 N ATOM 844 CA CYS A 58 73.777 -11.974 3.227 1.00 0.11 C ATOM 845 C CYS A 58 72.437 -11.693 3.910 1.00 0.10 C ATOM 846 O CYS A 58 71.397 -11.724 3.283 1.00 0.10 O ATOM 847 CB CYS A 58 74.458 -10.663 2.827 1.00 0.11 C ATOM 848 SG CYS A 58 76.098 -11.025 2.148 1.00 0.12 S ATOM 0 H CYS A 58 72.772 -12.492 1.410 1.00 0.10 H new ATOM 0 HA CYS A 58 74.433 -12.503 3.918 1.00 0.11 H new ATOM 0 HB2 CYS A 58 73.854 -10.136 2.088 1.00 0.11 H new ATOM 0 HB3 CYS A 58 74.547 -10.007 3.693 1.00 0.11 H new ATOM 853 N ARG A 59 72.447 -11.461 5.199 1.00 0.11 N ATOM 854 CA ARG A 59 71.163 -11.227 5.935 1.00 0.11 C ATOM 855 C ARG A 59 71.328 -10.138 6.999 1.00 0.12 C ATOM 856 O ARG A 59 72.403 -9.612 7.217 1.00 0.12 O ATOM 857 CB ARG A 59 70.759 -12.529 6.631 1.00 0.12 C ATOM 858 CG ARG A 59 71.861 -12.936 7.613 1.00 0.15 C ATOM 859 CD ARG A 59 71.593 -14.351 8.132 1.00 0.17 C ATOM 860 NE ARG A 59 72.682 -14.748 9.069 1.00 0.25 N ATOM 861 CZ ARG A 59 72.521 -15.767 9.867 1.00 0.30 C ATOM 862 NH1 ARG A 59 71.405 -16.444 9.846 1.00 0.31 N ATOM 863 NH2 ARG A 59 73.475 -16.108 10.690 1.00 0.39 N ATOM 0 H ARG A 59 73.288 -11.423 5.775 1.00 0.11 H new ATOM 0 HA ARG A 59 70.404 -10.907 5.222 1.00 0.11 H new ATOM 0 HB2 ARG A 59 69.815 -12.395 7.160 1.00 0.12 H new ATOM 0 HB3 ARG A 59 70.603 -13.317 5.894 1.00 0.12 H new ATOM 0 HG2 ARG A 59 72.833 -12.897 7.121 1.00 0.15 H new ATOM 0 HG3 ARG A 59 71.897 -12.234 8.446 1.00 0.15 H new ATOM 0 HD2 ARG A 59 70.629 -14.388 8.640 1.00 0.17 H new ATOM 0 HD3 ARG A 59 71.541 -15.052 7.299 1.00 0.17 H new ATOM 0 HE ARG A 59 73.555 -14.221 9.086 1.00 0.25 H new ATOM 0 HH11 ARG A 59 70.658 -16.176 9.205 1.00 0.31 H new ATOM 0 HH12 ARG A 59 71.280 -17.241 10.470 1.00 0.31 H new ATOM 0 HH21 ARG A 59 74.346 -15.578 10.709 1.00 0.39 H new ATOM 0 HH22 ARG A 59 73.349 -16.905 11.314 1.00 0.39 H new ATOM 877 N ASN A 60 70.259 -9.832 7.689 1.00 0.12 N ATOM 878 CA ASN A 60 70.311 -8.814 8.781 1.00 0.13 C ATOM 879 C ASN A 60 71.010 -7.531 8.315 1.00 0.12 C ATOM 880 O ASN A 60 71.878 -7.012 8.989 1.00 0.13 O ATOM 881 CB ASN A 60 71.044 -9.403 9.990 1.00 0.13 C ATOM 882 CG ASN A 60 70.963 -8.440 11.174 1.00 0.18 C ATOM 883 OD1 ASN A 60 70.266 -7.447 11.122 1.00 1.08 O ATOM 884 ND2 ASN A 60 71.657 -8.696 12.252 1.00 1.14 N ATOM 0 H ASN A 60 69.341 -10.250 7.540 1.00 0.12 H new ATOM 0 HA ASN A 60 69.290 -8.554 9.060 1.00 0.13 H new ATOM 0 HB2 ASN A 60 70.603 -10.362 10.261 1.00 0.13 H new ATOM 0 HB3 ASN A 60 72.087 -9.592 9.736 1.00 0.13 H new ATOM 0 HD21 ASN A 60 71.613 -8.062 13.049 1.00 1.14 H new ATOM 0 HD22 ASN A 60 72.242 -9.530 12.296 1.00 1.14 H new ATOM 891 N THR A 61 70.619 -6.990 7.190 1.00 0.12 N ATOM 892 CA THR A 61 71.247 -5.716 6.735 1.00 0.12 C ATOM 893 C THR A 61 70.635 -4.559 7.534 1.00 0.11 C ATOM 894 O THR A 61 69.430 -4.454 7.655 1.00 0.11 O ATOM 895 CB THR A 61 70.971 -5.475 5.249 1.00 0.14 C ATOM 896 OG1 THR A 61 69.572 -5.522 5.012 1.00 0.22 O ATOM 897 CG2 THR A 61 71.672 -6.526 4.386 1.00 0.24 C ATOM 0 H THR A 61 69.901 -7.370 6.574 1.00 0.12 H new ATOM 0 HA THR A 61 72.324 -5.778 6.891 1.00 0.12 H new ATOM 0 HB THR A 61 71.359 -4.493 4.980 1.00 0.14 H new ATOM 0 HG1 THR A 61 69.380 -5.171 4.117 1.00 0.22 H new ATOM 0 HG21 THR A 61 71.460 -6.333 3.334 1.00 0.24 H new ATOM 0 HG22 THR A 61 72.748 -6.477 4.555 1.00 0.24 H new ATOM 0 HG23 THR A 61 71.308 -7.518 4.653 1.00 0.24 H new ATOM 905 N GLN A 62 71.444 -3.681 8.067 1.00 9.83 N ATOM 906 CA GLN A 62 70.891 -2.525 8.846 1.00 11.89 C ATOM 907 C GLN A 62 71.787 -1.300 8.655 1.00 11.16 C ATOM 908 O GLN A 62 72.916 -1.407 8.218 1.00 9.58 O ATOM 909 CB GLN A 62 70.836 -2.874 10.337 1.00 13.81 C ATOM 910 CG GLN A 62 69.754 -3.929 10.591 1.00 19.41 C ATOM 911 CD GLN A 62 69.714 -4.263 12.083 1.00 22.33 C ATOM 912 OE1 GLN A 62 70.737 -4.296 12.737 1.00 28.20 O ATOM 913 NE2 GLN A 62 68.567 -4.515 12.655 1.00 24.17 N ATOM 0 H GLN A 62 72.461 -3.711 7.999 1.00 9.83 H new ATOM 0 HA GLN A 62 69.885 -2.308 8.486 1.00 11.89 H new ATOM 0 HB2 GLN A 62 71.805 -3.249 10.667 1.00 13.81 H new ATOM 0 HB3 GLN A 62 70.625 -1.978 10.921 1.00 13.81 H new ATOM 0 HG2 GLN A 62 68.783 -3.557 10.264 1.00 19.41 H new ATOM 0 HG3 GLN A 62 69.963 -4.828 10.011 1.00 19.41 H new ATOM 0 HE21 GLN A 62 67.707 -4.488 12.107 1.00 24.17 H new ATOM 0 HE22 GLN A 62 68.531 -4.739 13.649 1.00 24.17 H new ATOM 922 N LEU A 63 71.294 -0.133 8.982 1.00 0.12 N ATOM 923 CA LEU A 63 72.121 1.099 8.824 1.00 0.13 C ATOM 924 C LEU A 63 73.003 1.263 10.060 1.00 0.13 C ATOM 925 O LEU A 63 72.536 1.212 11.182 1.00 0.14 O ATOM 926 CB LEU A 63 71.198 2.322 8.666 1.00 0.15 C ATOM 927 CG LEU A 63 72.018 3.617 8.499 1.00 0.18 C ATOM 928 CD1 LEU A 63 72.718 3.632 7.133 1.00 0.18 C ATOM 929 CD2 LEU A 63 71.078 4.822 8.593 1.00 0.21 C ATOM 0 H LEU A 63 70.355 0.019 9.351 1.00 0.12 H new ATOM 0 HA LEU A 63 72.749 1.016 7.937 1.00 0.13 H new ATOM 0 HB2 LEU A 63 70.550 2.184 7.800 1.00 0.15 H new ATOM 0 HB3 LEU A 63 70.550 2.408 9.538 1.00 0.15 H new ATOM 0 HG LEU A 63 72.771 3.664 9.285 1.00 0.18 H new ATOM 0 HD11 LEU A 63 73.293 4.552 7.029 1.00 0.18 H new ATOM 0 HD12 LEU A 63 73.387 2.775 7.058 1.00 0.18 H new ATOM 0 HD13 LEU A 63 71.971 3.580 6.341 1.00 0.18 H new ATOM 0 HD21 LEU A 63 71.652 5.741 8.476 1.00 0.21 H new ATOM 0 HD22 LEU A 63 70.327 4.760 7.805 1.00 0.21 H new ATOM 0 HD23 LEU A 63 70.585 4.824 9.565 1.00 0.21 H new ATOM 941 N ALA A 64 74.280 1.462 9.854 1.00 0.12 N ATOM 942 CA ALA A 64 75.229 1.635 10.997 1.00 0.14 C ATOM 943 C ALA A 64 75.901 3.005 10.894 1.00 0.14 C ATOM 944 O ALA A 64 76.423 3.375 9.862 1.00 0.15 O ATOM 945 CB ALA A 64 76.307 0.552 10.919 1.00 0.14 C ATOM 0 H ALA A 64 74.711 1.513 8.931 1.00 0.12 H new ATOM 0 HA ALA A 64 74.685 1.558 11.939 1.00 0.14 H new ATOM 0 HB1 ALA A 64 77.003 0.671 11.749 1.00 0.14 H new ATOM 0 HB2 ALA A 64 75.840 -0.431 10.976 1.00 0.14 H new ATOM 0 HB3 ALA A 64 76.847 0.643 9.977 1.00 0.14 H new ATOM 951 N GLY A 65 75.901 3.758 11.958 1.00 0.16 N ATOM 952 CA GLY A 65 76.558 5.097 11.931 1.00 0.17 C ATOM 953 C GLY A 65 75.830 6.043 10.972 1.00 0.17 C ATOM 954 O GLY A 65 74.643 5.929 10.742 1.00 0.17 O ATOM 0 H GLY A 65 75.473 3.504 12.849 1.00 0.16 H new ATOM 0 HA2 GLY A 65 76.565 5.524 12.934 1.00 0.17 H new ATOM 0 HA3 GLY A 65 77.598 4.990 11.623 1.00 0.17 H new ATOM 958 N SER A 66 76.549 6.985 10.424 1.00 0.18 N ATOM 959 CA SER A 66 75.935 7.970 9.487 1.00 0.18 C ATOM 960 C SER A 66 75.972 7.461 8.043 1.00 0.17 C ATOM 961 O SER A 66 75.055 7.703 7.281 1.00 0.16 O ATOM 962 CB SER A 66 76.717 9.283 9.569 1.00 0.21 C ATOM 963 OG SER A 66 76.753 9.725 10.919 1.00 1.19 O ATOM 0 H SER A 66 77.547 7.116 10.587 1.00 0.18 H new ATOM 0 HA SER A 66 74.894 8.118 9.774 1.00 0.18 H new ATOM 0 HB2 SER A 66 77.730 9.140 9.194 1.00 0.21 H new ATOM 0 HB3 SER A 66 76.248 10.039 8.939 1.00 0.21 H new ATOM 0 HG SER A 66 77.255 10.565 10.975 1.00 1.19 H new ATOM 969 N SER A 67 77.034 6.800 7.639 1.00 0.17 N ATOM 970 CA SER A 67 77.130 6.329 6.214 1.00 0.17 C ATOM 971 C SER A 67 77.606 4.876 6.109 1.00 0.16 C ATOM 972 O SER A 67 77.950 4.424 5.034 1.00 0.17 O ATOM 973 CB SER A 67 78.151 7.206 5.493 1.00 0.19 C ATOM 974 OG SER A 67 79.438 6.989 6.056 1.00 0.20 O ATOM 0 H SER A 67 77.833 6.567 8.228 1.00 0.17 H new ATOM 0 HA SER A 67 76.136 6.395 5.772 1.00 0.17 H new ATOM 0 HB2 SER A 67 78.163 6.971 4.429 1.00 0.19 H new ATOM 0 HB3 SER A 67 77.874 8.256 5.584 1.00 0.19 H new ATOM 0 HG SER A 67 80.087 7.586 5.628 1.00 0.20 H new ATOM 980 N GLU A 68 77.679 4.140 7.194 1.00 0.15 N ATOM 981 CA GLU A 68 78.188 2.730 7.109 1.00 0.15 C ATOM 982 C GLU A 68 77.041 1.716 7.119 1.00 0.13 C ATOM 983 O GLU A 68 76.083 1.839 7.857 1.00 0.13 O ATOM 984 CB GLU A 68 79.101 2.467 8.307 1.00 0.16 C ATOM 985 CG GLU A 68 80.287 3.433 8.263 1.00 0.22 C ATOM 986 CD GLU A 68 81.224 3.049 7.114 1.00 1.15 C ATOM 987 OE1 GLU A 68 81.084 1.950 6.603 1.00 1.77 O ATOM 988 OE2 GLU A 68 82.068 3.859 6.768 1.00 1.37 O ATOM 0 H GLU A 68 77.411 4.450 8.128 1.00 0.15 H new ATOM 0 HA GLU A 68 78.732 2.614 6.171 1.00 0.15 H new ATOM 0 HB2 GLU A 68 78.546 2.597 9.236 1.00 0.16 H new ATOM 0 HB3 GLU A 68 79.456 1.437 8.289 1.00 0.16 H new ATOM 0 HG2 GLU A 68 79.931 4.455 8.129 1.00 0.22 H new ATOM 0 HG3 GLU A 68 80.826 3.405 9.210 1.00 0.22 H new ATOM 995 N LEU A 69 77.163 0.689 6.312 1.00 0.13 N ATOM 996 CA LEU A 69 76.127 -0.391 6.249 1.00 0.12 C ATOM 997 C LEU A 69 76.722 -1.662 6.867 1.00 0.13 C ATOM 998 O LEU A 69 77.747 -2.153 6.438 1.00 0.14 O ATOM 999 CB LEU A 69 75.735 -0.621 4.774 1.00 0.14 C ATOM 1000 CG LEU A 69 75.101 -2.008 4.558 1.00 0.14 C ATOM 1001 CD1 LEU A 69 73.962 -2.264 5.568 1.00 0.15 C ATOM 1002 CD2 LEU A 69 74.544 -2.070 3.129 1.00 0.18 C ATOM 0 H LEU A 69 77.953 0.551 5.682 1.00 0.13 H new ATOM 0 HA LEU A 69 75.231 -0.112 6.803 1.00 0.12 H new ATOM 0 HB2 LEU A 69 75.033 0.152 4.460 1.00 0.14 H new ATOM 0 HB3 LEU A 69 76.619 -0.524 4.144 1.00 0.14 H new ATOM 0 HG LEU A 69 75.861 -2.774 4.709 1.00 0.14 H new ATOM 0 HD11 LEU A 69 73.534 -3.251 5.391 1.00 0.15 H new ATOM 0 HD12 LEU A 69 74.358 -2.217 6.582 1.00 0.15 H new ATOM 0 HD13 LEU A 69 73.189 -1.505 5.445 1.00 0.15 H new ATOM 0 HD21 LEU A 69 74.090 -3.046 2.957 1.00 0.18 H new ATOM 0 HD22 LEU A 69 73.792 -1.292 2.998 1.00 0.18 H new ATOM 0 HD23 LEU A 69 75.354 -1.916 2.416 1.00 0.18 H new ATOM 1014 N ALA A 70 76.082 -2.184 7.883 1.00 0.12 N ATOM 1015 CA ALA A 70 76.591 -3.417 8.558 1.00 0.12 C ATOM 1016 C ALA A 70 75.713 -4.602 8.149 1.00 0.12 C ATOM 1017 O ALA A 70 74.510 -4.486 8.026 1.00 0.13 O ATOM 1018 CB ALA A 70 76.513 -3.205 10.071 1.00 0.15 C ATOM 0 H ALA A 70 75.221 -1.805 8.277 1.00 0.12 H new ATOM 0 HA ALA A 70 77.622 -3.619 8.269 1.00 0.12 H new ATOM 0 HB1 ALA A 70 76.880 -4.095 10.582 1.00 0.15 H new ATOM 0 HB2 ALA A 70 77.125 -2.347 10.350 1.00 0.15 H new ATOM 0 HB3 ALA A 70 75.478 -3.022 10.360 1.00 0.15 H new ATOM 1024 N ALA A 71 76.310 -5.738 7.927 1.00 0.12 N ATOM 1025 CA ALA A 71 75.521 -6.934 7.517 1.00 0.13 C ATOM 1026 C ALA A 71 76.294 -8.203 7.873 1.00 0.13 C ATOM 1027 O ALA A 71 77.464 -8.163 8.200 1.00 0.14 O ATOM 1028 CB ALA A 71 75.323 -6.948 6.000 1.00 0.15 C ATOM 0 H ALA A 71 77.315 -5.892 8.012 1.00 0.12 H new ATOM 0 HA ALA A 71 74.560 -6.895 8.030 1.00 0.13 H new ATOM 0 HB1 ALA A 71 74.745 -7.828 5.717 1.00 0.15 H new ATOM 0 HB2 ALA A 71 74.788 -6.049 5.695 1.00 0.15 H new ATOM 0 HB3 ALA A 71 76.294 -6.978 5.507 1.00 0.15 H new ATOM 1034 N GLU A 72 75.647 -9.341 7.761 1.00 0.13 N ATOM 1035 CA GLU A 72 76.321 -10.646 8.031 1.00 0.12 C ATOM 1036 C GLU A 72 76.390 -11.367 6.684 1.00 0.12 C ATOM 1037 O GLU A 72 75.409 -11.411 5.968 1.00 0.11 O ATOM 1038 CB GLU A 72 75.477 -11.462 9.019 1.00 0.14 C ATOM 1039 CG GLU A 72 75.325 -10.684 10.328 1.00 0.18 C ATOM 1040 CD GLU A 72 74.482 -11.497 11.314 1.00 0.20 C ATOM 1041 OE1 GLU A 72 73.928 -12.503 10.901 1.00 0.29 O ATOM 1042 OE2 GLU A 72 74.390 -11.088 12.462 1.00 0.36 O ATOM 0 H GLU A 72 74.667 -9.418 7.490 1.00 0.13 H new ATOM 0 HA GLU A 72 77.312 -10.512 8.464 1.00 0.12 H new ATOM 0 HB2 GLU A 72 74.496 -11.669 8.591 1.00 0.14 H new ATOM 0 HB3 GLU A 72 75.951 -12.425 9.209 1.00 0.14 H new ATOM 0 HG2 GLU A 72 76.306 -10.478 10.756 1.00 0.18 H new ATOM 0 HG3 GLU A 72 74.852 -9.721 10.137 1.00 0.18 H new ATOM 1049 N CYS A 73 77.527 -11.906 6.303 1.00 0.12 N ATOM 1050 CA CYS A 73 77.618 -12.584 4.962 1.00 0.12 C ATOM 1051 C CYS A 73 78.297 -13.948 5.065 1.00 0.12 C ATOM 1052 O CYS A 73 79.159 -14.180 5.890 1.00 0.13 O ATOM 1053 CB CYS A 73 78.411 -11.692 4.004 1.00 0.13 C ATOM 1054 SG CYS A 73 77.384 -10.280 3.520 1.00 0.14 S ATOM 0 H CYS A 73 78.386 -11.908 6.852 1.00 0.12 H new ATOM 0 HA CYS A 73 76.606 -12.741 4.589 1.00 0.12 H new ATOM 0 HB2 CYS A 73 79.326 -11.344 4.484 1.00 0.13 H new ATOM 0 HB3 CYS A 73 78.710 -12.259 3.122 1.00 0.13 H new ATOM 1059 N LYS A 74 77.881 -14.855 4.228 1.00 0.13 N ATOM 1060 CA LYS A 74 78.463 -16.222 4.251 1.00 0.13 C ATOM 1061 C LYS A 74 79.867 -16.256 3.661 1.00 0.13 C ATOM 1062 O LYS A 74 80.129 -15.755 2.585 1.00 0.13 O ATOM 1063 CB LYS A 74 77.588 -17.187 3.443 1.00 0.16 C ATOM 1064 CG LYS A 74 76.280 -17.418 4.188 1.00 0.20 C ATOM 1065 CD LYS A 74 75.411 -18.435 3.433 1.00 0.22 C ATOM 1066 CE LYS A 74 75.907 -19.863 3.703 1.00 0.30 C ATOM 1067 NZ LYS A 74 74.857 -20.836 3.292 1.00 0.38 N ATOM 0 H LYS A 74 77.158 -14.706 3.524 1.00 0.13 H new ATOM 0 HA LYS A 74 78.509 -16.524 5.297 1.00 0.13 H new ATOM 0 HB2 LYS A 74 77.389 -16.775 2.454 1.00 0.16 H new ATOM 0 HB3 LYS A 74 78.109 -18.133 3.296 1.00 0.16 H new ATOM 0 HG2 LYS A 74 76.486 -17.781 5.195 1.00 0.20 H new ATOM 0 HG3 LYS A 74 75.742 -16.476 4.293 1.00 0.20 H new ATOM 0 HD2 LYS A 74 74.371 -18.338 3.746 1.00 0.22 H new ATOM 0 HD3 LYS A 74 75.443 -18.228 2.363 1.00 0.22 H new ATOM 0 HE2 LYS A 74 76.828 -20.050 3.151 1.00 0.30 H new ATOM 0 HE3 LYS A 74 76.138 -19.986 4.761 1.00 0.30 H new ATOM 0 HZ1 LYS A 74 75.306 -21.723 2.986 1.00 0.38 H new ATOM 0 HZ2 LYS A 74 74.226 -21.027 4.097 1.00 0.38 H new ATOM 0 HZ3 LYS A 74 74.304 -20.439 2.505 1.00 0.38 H new ATOM 1081 N THR A 75 80.749 -16.913 4.351 1.00 0.13 N ATOM 1082 CA THR A 75 82.137 -17.077 3.851 1.00 0.14 C ATOM 1083 C THR A 75 82.163 -18.356 3.030 1.00 0.15 C ATOM 1084 O THR A 75 81.209 -19.107 3.006 1.00 0.15 O ATOM 1085 CB THR A 75 83.123 -17.231 5.012 1.00 0.15 C ATOM 1086 OG1 THR A 75 82.875 -18.466 5.669 1.00 0.25 O ATOM 1087 CG2 THR A 75 82.975 -16.088 6.021 1.00 0.23 C ATOM 0 H THR A 75 80.565 -17.350 5.254 1.00 0.13 H new ATOM 0 HA THR A 75 82.425 -16.203 3.267 1.00 0.14 H new ATOM 0 HB THR A 75 84.136 -17.206 4.610 1.00 0.15 H new ATOM 0 HG1 THR A 75 83.504 -18.573 6.413 1.00 0.25 H new ATOM 0 HG21 THR A 75 83.688 -16.225 6.834 1.00 0.23 H new ATOM 0 HG22 THR A 75 83.169 -15.137 5.525 1.00 0.23 H new ATOM 0 HG23 THR A 75 81.962 -16.087 6.424 1.00 0.23 H new ATOM 1095 N ARG A 76 83.238 -18.627 2.367 1.00 0.17 N ATOM 1096 CA ARG A 76 83.293 -19.874 1.571 1.00 0.19 C ATOM 1097 C ARG A 76 83.036 -21.063 2.497 1.00 0.18 C ATOM 1098 O ARG A 76 82.679 -22.133 2.041 1.00 0.19 O ATOM 1099 CB ARG A 76 84.665 -20.018 0.907 1.00 0.22 C ATOM 1100 CG ARG A 76 84.807 -18.967 -0.197 1.00 0.25 C ATOM 1101 CD ARG A 76 86.175 -19.104 -0.870 1.00 0.35 C ATOM 1102 NE ARG A 76 86.303 -18.076 -1.942 1.00 1.36 N ATOM 1103 CZ ARG A 76 87.476 -17.800 -2.444 1.00 1.94 C ATOM 1104 NH1 ARG A 76 88.538 -18.400 -1.983 1.00 2.11 N ATOM 1105 NH2 ARG A 76 87.586 -16.922 -3.402 1.00 2.94 N ATOM 0 H ARG A 76 84.076 -18.047 2.339 1.00 0.17 H new ATOM 0 HA ARG A 76 82.533 -19.842 0.790 1.00 0.19 H new ATOM 0 HB2 ARG A 76 85.455 -19.893 1.648 1.00 0.22 H new ATOM 0 HB3 ARG A 76 84.776 -21.018 0.489 1.00 0.22 H new ATOM 0 HG2 ARG A 76 84.014 -19.092 -0.935 1.00 0.25 H new ATOM 0 HG3 ARG A 76 84.697 -17.967 0.223 1.00 0.25 H new ATOM 0 HD2 ARG A 76 86.969 -18.979 -0.134 1.00 0.35 H new ATOM 0 HD3 ARG A 76 86.287 -20.102 -1.293 1.00 0.35 H new ATOM 0 HE ARG A 76 85.474 -17.589 -2.283 1.00 1.36 H new ATOM 0 HH11 ARG A 76 88.451 -19.084 -1.231 1.00 2.11 H new ATOM 0 HH12 ARG A 76 89.455 -18.185 -2.374 1.00 2.11 H new ATOM 0 HH21 ARG A 76 86.755 -16.450 -3.759 1.00 2.94 H new ATOM 0 HH22 ARG A 76 88.503 -16.707 -3.794 1.00 2.94 H new ATOM 1119 N ALA A 77 83.238 -20.918 3.790 1.00 0.17 N ATOM 1120 CA ALA A 77 83.025 -22.090 4.701 1.00 0.17 C ATOM 1121 C ALA A 77 81.559 -22.188 5.157 1.00 0.17 C ATOM 1122 O ALA A 77 81.248 -22.958 6.041 1.00 0.17 O ATOM 1123 CB ALA A 77 83.943 -21.979 5.919 1.00 0.17 C ATOM 0 H ALA A 77 83.536 -20.055 4.245 1.00 0.17 H new ATOM 0 HA ALA A 77 83.266 -22.996 4.145 1.00 0.17 H new ATOM 0 HB1 ALA A 77 83.782 -22.834 6.575 1.00 0.17 H new ATOM 0 HB2 ALA A 77 84.982 -21.964 5.591 1.00 0.17 H new ATOM 0 HB3 ALA A 77 83.720 -21.059 6.460 1.00 0.17 H new ATOM 1129 N GLN A 78 80.659 -21.424 4.574 1.00 0.17 N ATOM 1130 CA GLN A 78 79.204 -21.466 4.961 1.00 0.18 C ATOM 1131 C GLN A 78 78.968 -20.986 6.403 1.00 0.18 C ATOM 1132 O GLN A 78 78.077 -21.468 7.074 1.00 0.20 O ATOM 1133 CB GLN A 78 78.642 -22.885 4.799 1.00 0.20 C ATOM 1134 CG GLN A 78 78.799 -23.338 3.345 1.00 0.31 C ATOM 1135 CD GLN A 78 77.946 -22.459 2.422 1.00 0.59 C ATOM 1136 OE1 GLN A 78 76.754 -22.316 2.622 1.00 1.56 O ATOM 1137 NE2 GLN A 78 78.515 -21.857 1.413 1.00 0.41 N ATOM 0 H GLN A 78 80.875 -20.759 3.831 1.00 0.17 H new ATOM 0 HA GLN A 78 78.683 -20.784 4.290 1.00 0.18 H new ATOM 0 HB2 GLN A 78 79.166 -23.572 5.463 1.00 0.20 H new ATOM 0 HB3 GLN A 78 77.590 -22.905 5.085 1.00 0.20 H new ATOM 0 HG2 GLN A 78 79.846 -23.279 3.049 1.00 0.31 H new ATOM 0 HG3 GLN A 78 78.498 -24.381 3.247 1.00 0.31 H new ATOM 0 HE21 GLN A 78 79.514 -21.977 1.245 1.00 0.41 H new ATOM 0 HE22 GLN A 78 77.961 -21.267 0.793 1.00 0.41 H new ATOM 1146 N GLN A 79 79.732 -20.026 6.875 1.00 0.17 N ATOM 1147 CA GLN A 79 79.533 -19.494 8.271 1.00 0.19 C ATOM 1148 C GLN A 79 79.251 -17.985 8.196 1.00 0.17 C ATOM 1149 O GLN A 79 80.005 -17.241 7.604 1.00 0.21 O ATOM 1150 CB GLN A 79 80.810 -19.741 9.085 1.00 0.22 C ATOM 1151 CG GLN A 79 80.634 -19.210 10.511 1.00 1.18 C ATOM 1152 CD GLN A 79 81.904 -19.489 11.322 1.00 1.51 C ATOM 1153 OE1 GLN A 79 83.057 -19.531 10.714 1.00 1.87 O flip ATOM 1154 NE2 GLN A 79 81.843 -19.673 12.522 1.00 2.23 N flip ATOM 0 H GLN A 79 80.489 -19.584 6.353 1.00 0.17 H new ATOM 0 HA GLN A 79 78.693 -19.997 8.749 1.00 0.19 H new ATOM 0 HB2 GLN A 79 81.034 -20.807 9.110 1.00 0.22 H new ATOM 0 HB3 GLN A 79 81.657 -19.249 8.607 1.00 0.22 H new ATOM 0 HG2 GLN A 79 80.432 -18.139 10.489 1.00 1.18 H new ATOM 0 HG3 GLN A 79 79.776 -19.687 10.984 1.00 1.18 H new ATOM 0 HE21 GLN A 79 80.941 -19.640 12.998 1.00 2.23 H new ATOM 0 HE22 GLN A 79 82.693 -19.860 13.053 1.00 2.23 H new ATOM 1163 N PHE A 80 78.176 -17.515 8.793 1.00 0.15 N ATOM 1164 CA PHE A 80 77.877 -16.045 8.724 1.00 0.14 C ATOM 1165 C PHE A 80 78.862 -15.272 9.618 1.00 0.13 C ATOM 1166 O PHE A 80 78.981 -15.553 10.794 1.00 0.14 O ATOM 1167 CB PHE A 80 76.450 -15.755 9.235 1.00 0.16 C ATOM 1168 CG PHE A 80 75.401 -16.077 8.192 1.00 0.19 C ATOM 1169 CD1 PHE A 80 75.221 -15.223 7.097 1.00 0.22 C ATOM 1170 CD2 PHE A 80 74.582 -17.205 8.340 1.00 0.24 C ATOM 1171 CE1 PHE A 80 74.229 -15.498 6.149 1.00 0.28 C ATOM 1172 CE2 PHE A 80 73.586 -17.477 7.393 1.00 0.30 C ATOM 1173 CZ PHE A 80 73.409 -16.624 6.298 1.00 0.31 C ATOM 0 H PHE A 80 77.503 -18.075 9.316 1.00 0.15 H new ATOM 0 HA PHE A 80 77.970 -15.732 7.684 1.00 0.14 H new ATOM 0 HB2 PHE A 80 76.260 -16.341 10.134 1.00 0.16 H new ATOM 0 HB3 PHE A 80 76.372 -14.705 9.517 1.00 0.16 H new ATOM 0 HD1 PHE A 80 75.848 -14.351 6.984 1.00 0.22 H new ATOM 0 HD2 PHE A 80 74.719 -17.865 9.184 1.00 0.24 H new ATOM 0 HE1 PHE A 80 74.095 -14.842 5.302 1.00 0.28 H new ATOM 0 HE2 PHE A 80 72.954 -18.346 7.508 1.00 0.30 H new ATOM 0 HZ PHE A 80 72.641 -16.834 5.568 1.00 0.31 H new ATOM 1183 N VAL A 81 79.551 -14.290 9.074 1.00 0.12 N ATOM 1184 CA VAL A 81 80.519 -13.485 9.898 1.00 0.12 C ATOM 1185 C VAL A 81 80.205 -11.997 9.736 1.00 0.12 C ATOM 1186 O VAL A 81 79.471 -11.605 8.850 1.00 0.12 O ATOM 1187 CB VAL A 81 81.955 -13.797 9.464 1.00 0.14 C ATOM 1188 CG1 VAL A 81 82.071 -15.304 9.230 1.00 0.18 C ATOM 1189 CG2 VAL A 81 82.321 -13.116 8.139 1.00 0.16 C ATOM 0 H VAL A 81 79.485 -14.011 8.095 1.00 0.12 H new ATOM 0 HA VAL A 81 80.419 -13.748 10.951 1.00 0.12 H new ATOM 0 HB VAL A 81 82.621 -13.436 10.248 1.00 0.14 H new ATOM 0 HG11 VAL A 81 83.087 -15.547 8.920 1.00 0.18 H new ATOM 0 HG12 VAL A 81 81.837 -15.835 10.153 1.00 0.18 H new ATOM 0 HG13 VAL A 81 81.372 -15.606 8.450 1.00 0.18 H new ATOM 0 HG21 VAL A 81 83.348 -13.367 7.873 1.00 0.16 H new ATOM 0 HG22 VAL A 81 81.648 -13.461 7.354 1.00 0.16 H new ATOM 0 HG23 VAL A 81 82.228 -12.035 8.247 1.00 0.16 H new ATOM 1199 N SER A 82 80.722 -11.163 10.597 1.00 0.15 N ATOM 1200 CA SER A 82 80.417 -9.706 10.506 1.00 0.15 C ATOM 1201 C SER A 82 81.141 -9.048 9.324 1.00 0.16 C ATOM 1202 O SER A 82 82.327 -9.230 9.127 1.00 0.25 O ATOM 1203 CB SER A 82 80.846 -9.021 11.804 1.00 0.23 C ATOM 1204 OG SER A 82 80.553 -7.633 11.720 1.00 0.26 O ATOM 0 H SER A 82 81.344 -11.428 11.361 1.00 0.15 H new ATOM 0 HA SER A 82 79.344 -9.594 10.350 1.00 0.15 H new ATOM 0 HB2 SER A 82 80.324 -9.464 12.652 1.00 0.23 H new ATOM 0 HB3 SER A 82 81.913 -9.170 11.972 1.00 0.23 H new ATOM 0 HG SER A 82 80.825 -7.190 12.551 1.00 0.26 H new ATOM 1210 N THR A 83 80.432 -8.265 8.551 1.00 0.12 N ATOM 1211 CA THR A 83 81.052 -7.564 7.381 1.00 0.17 C ATOM 1212 C THR A 83 80.556 -6.114 7.341 1.00 0.12 C ATOM 1213 O THR A 83 79.501 -5.792 7.851 1.00 0.11 O ATOM 1214 CB THR A 83 80.668 -8.287 6.085 1.00 0.27 C ATOM 1215 OG1 THR A 83 81.179 -7.565 4.974 1.00 0.31 O ATOM 1216 CG2 THR A 83 79.143 -8.404 5.967 1.00 0.29 C ATOM 0 H THR A 83 79.438 -8.078 8.681 1.00 0.12 H new ATOM 0 HA THR A 83 82.137 -7.571 7.481 1.00 0.17 H new ATOM 0 HB THR A 83 81.094 -9.290 6.100 1.00 0.27 H new ATOM 0 HG1 THR A 83 80.463 -7.027 4.577 1.00 0.31 H new ATOM 0 HG21 THR A 83 78.888 -8.920 5.041 1.00 0.29 H new ATOM 0 HG22 THR A 83 78.755 -8.968 6.815 1.00 0.29 H new ATOM 0 HG23 THR A 83 78.701 -7.408 5.961 1.00 0.29 H new ATOM 1224 N LYS A 84 81.310 -5.236 6.730 1.00 0.12 N ATOM 1225 CA LYS A 84 80.883 -3.808 6.653 1.00 0.14 C ATOM 1226 C LYS A 84 81.482 -3.152 5.402 1.00 0.13 C ATOM 1227 O LYS A 84 82.527 -3.534 4.914 1.00 0.15 O ATOM 1228 CB LYS A 84 81.365 -3.067 7.904 1.00 0.25 C ATOM 1229 CG LYS A 84 82.891 -3.125 7.979 1.00 0.34 C ATOM 1230 CD LYS A 84 83.357 -2.622 9.349 1.00 0.48 C ATOM 1231 CE LYS A 84 82.902 -1.174 9.557 1.00 1.17 C ATOM 1232 NZ LYS A 84 83.743 -0.539 10.609 1.00 1.98 N ATOM 0 H LYS A 84 82.202 -5.447 6.282 1.00 0.12 H new ATOM 0 HA LYS A 84 79.796 -3.758 6.595 1.00 0.14 H new ATOM 0 HB2 LYS A 84 81.031 -2.030 7.876 1.00 0.25 H new ATOM 0 HB3 LYS A 84 80.930 -3.517 8.796 1.00 0.25 H new ATOM 0 HG2 LYS A 84 83.235 -4.147 7.819 1.00 0.34 H new ATOM 0 HG3 LYS A 84 83.328 -2.515 7.188 1.00 0.34 H new ATOM 0 HD2 LYS A 84 82.950 -3.257 10.136 1.00 0.48 H new ATOM 0 HD3 LYS A 84 84.443 -2.684 9.419 1.00 0.48 H new ATOM 0 HE2 LYS A 84 82.985 -0.617 8.624 1.00 1.17 H new ATOM 0 HE3 LYS A 84 81.853 -1.149 9.850 1.00 1.17 H new ATOM 0 HZ1 LYS A 84 83.436 0.444 10.752 1.00 1.98 H new ATOM 0 HZ2 LYS A 84 83.642 -1.066 11.500 1.00 1.98 H new ATOM 0 HZ3 LYS A 84 84.739 -0.551 10.311 1.00 1.98 H new ATOM 1246 N ILE A 85 80.804 -2.157 4.892 1.00 0.13 N ATOM 1247 CA ILE A 85 81.278 -1.432 3.674 1.00 0.13 C ATOM 1248 C ILE A 85 80.927 0.054 3.810 1.00 0.13 C ATOM 1249 O ILE A 85 79.928 0.419 4.398 1.00 0.13 O ATOM 1250 CB ILE A 85 80.599 -2.025 2.432 1.00 0.14 C ATOM 1251 CG1 ILE A 85 81.219 -1.428 1.163 1.00 0.17 C ATOM 1252 CG2 ILE A 85 79.102 -1.714 2.459 1.00 0.16 C ATOM 1253 CD1 ILE A 85 80.781 -2.256 -0.049 1.00 0.20 C ATOM 0 H ILE A 85 79.925 -1.809 5.275 1.00 0.13 H new ATOM 0 HA ILE A 85 82.358 -1.539 3.571 1.00 0.13 H new ATOM 0 HB ILE A 85 80.745 -3.105 2.433 1.00 0.14 H new ATOM 0 HG12 ILE A 85 80.904 -0.391 1.043 1.00 0.17 H new ATOM 0 HG13 ILE A 85 82.306 -1.424 1.242 1.00 0.17 H new ATOM 0 HG21 ILE A 85 78.626 -2.138 1.575 1.00 0.16 H new ATOM 0 HG22 ILE A 85 78.656 -2.148 3.354 1.00 0.16 H new ATOM 0 HG23 ILE A 85 78.955 -0.634 2.468 1.00 0.16 H new ATOM 0 HD11 ILE A 85 81.219 -1.836 -0.954 1.00 0.20 H new ATOM 0 HD12 ILE A 85 81.118 -3.286 0.073 1.00 0.20 H new ATOM 0 HD13 ILE A 85 79.694 -2.237 -0.129 1.00 0.20 H new ATOM 1265 N ASN A 86 81.754 0.913 3.278 1.00 0.13 N ATOM 1266 CA ASN A 86 81.488 2.384 3.379 1.00 0.14 C ATOM 1267 C ASN A 86 80.617 2.847 2.202 1.00 0.13 C ATOM 1268 O ASN A 86 81.043 2.835 1.067 1.00 0.13 O ATOM 1269 CB ASN A 86 82.823 3.136 3.354 1.00 0.15 C ATOM 1270 CG ASN A 86 82.625 4.567 3.864 1.00 0.17 C ATOM 1271 OD1 ASN A 86 81.510 5.038 3.974 1.00 0.17 O ATOM 1272 ND2 ASN A 86 83.670 5.281 4.182 1.00 0.23 N ATOM 0 H ASN A 86 82.606 0.662 2.776 1.00 0.13 H new ATOM 0 HA ASN A 86 80.961 2.592 4.310 1.00 0.14 H new ATOM 0 HB2 ASN A 86 83.554 2.617 3.974 1.00 0.15 H new ATOM 0 HB3 ASN A 86 83.221 3.154 2.340 1.00 0.15 H new ATOM 0 HD21 ASN A 86 83.551 6.235 4.523 1.00 0.23 H new ATOM 0 HD22 ASN A 86 84.605 4.885 4.089 1.00 0.23 H new ATOM 1279 N LEU A 87 79.410 3.276 2.467 1.00 0.13 N ATOM 1280 CA LEU A 87 78.515 3.767 1.369 1.00 0.13 C ATOM 1281 C LEU A 87 79.067 5.078 0.800 1.00 0.13 C ATOM 1282 O LEU A 87 78.722 5.477 -0.294 1.00 0.13 O ATOM 1283 CB LEU A 87 77.113 4.045 1.921 1.00 0.14 C ATOM 1284 CG LEU A 87 76.607 2.841 2.713 1.00 0.15 C ATOM 1285 CD1 LEU A 87 75.169 3.114 3.161 1.00 0.18 C ATOM 1286 CD2 LEU A 87 76.647 1.587 1.833 1.00 0.21 C ATOM 0 H LEU A 87 79.001 3.309 3.401 1.00 0.13 H new ATOM 0 HA LEU A 87 78.470 3.003 0.593 1.00 0.13 H new ATOM 0 HB2 LEU A 87 77.135 4.927 2.561 1.00 0.14 H new ATOM 0 HB3 LEU A 87 76.429 4.263 1.101 1.00 0.14 H new ATOM 0 HG LEU A 87 77.241 2.679 3.585 1.00 0.15 H new ATOM 0 HD11 LEU A 87 74.796 2.261 3.728 1.00 0.18 H new ATOM 0 HD12 LEU A 87 75.146 4.005 3.789 1.00 0.18 H new ATOM 0 HD13 LEU A 87 74.539 3.271 2.286 1.00 0.18 H new ATOM 0 HD21 LEU A 87 76.285 0.731 2.403 1.00 0.21 H new ATOM 0 HD22 LEU A 87 76.013 1.736 0.959 1.00 0.21 H new ATOM 0 HD23 LEU A 87 77.672 1.401 1.511 1.00 0.21 H new ATOM 1298 N ASP A 88 79.881 5.771 1.540 1.00 0.14 N ATOM 1299 CA ASP A 88 80.405 7.079 1.045 1.00 0.15 C ATOM 1300 C ASP A 88 81.391 6.902 -0.119 1.00 0.15 C ATOM 1301 O ASP A 88 81.765 7.864 -0.755 1.00 0.15 O ATOM 1302 CB ASP A 88 81.119 7.799 2.192 1.00 0.17 C ATOM 1303 CG ASP A 88 80.091 8.277 3.221 1.00 0.18 C ATOM 1304 OD1 ASP A 88 78.945 8.460 2.843 1.00 0.19 O ATOM 1305 OD2 ASP A 88 80.468 8.453 4.368 1.00 0.22 O ATOM 0 H ASP A 88 80.208 5.493 2.465 1.00 0.14 H new ATOM 0 HA ASP A 88 79.557 7.662 0.684 1.00 0.15 H new ATOM 0 HB2 ASP A 88 81.836 7.128 2.665 1.00 0.17 H new ATOM 0 HB3 ASP A 88 81.683 8.648 1.806 1.00 0.17 H new ATOM 1310 N ASP A 89 81.869 5.717 -0.381 1.00 0.16 N ATOM 1311 CA ASP A 89 82.871 5.538 -1.479 1.00 0.17 C ATOM 1312 C ASP A 89 82.319 5.925 -2.855 1.00 0.16 C ATOM 1313 O ASP A 89 83.041 6.449 -3.679 1.00 0.16 O ATOM 1314 CB ASP A 89 83.281 4.068 -1.549 1.00 0.20 C ATOM 1315 CG ASP A 89 84.105 3.705 -0.310 1.00 0.23 C ATOM 1316 OD1 ASP A 89 84.626 4.613 0.316 1.00 0.27 O ATOM 1317 OD2 ASP A 89 84.193 2.526 -0.007 1.00 0.26 O ATOM 0 H ASP A 89 81.612 4.864 0.115 1.00 0.16 H new ATOM 0 HA ASP A 89 83.713 6.190 -1.246 1.00 0.17 H new ATOM 0 HB2 ASP A 89 82.395 3.435 -1.607 1.00 0.20 H new ATOM 0 HB3 ASP A 89 83.863 3.885 -2.452 1.00 0.20 H new ATOM 1322 N HIS A 90 81.083 5.597 -3.154 1.00 0.16 N ATOM 1323 CA HIS A 90 80.552 5.889 -4.530 1.00 0.17 C ATOM 1324 C HIS A 90 79.109 6.402 -4.499 1.00 0.16 C ATOM 1325 O HIS A 90 78.593 6.858 -5.502 1.00 0.17 O ATOM 1326 CB HIS A 90 80.622 4.588 -5.332 1.00 0.21 C ATOM 1327 CG HIS A 90 82.057 4.138 -5.373 1.00 0.22 C ATOM 1328 ND1 HIS A 90 83.010 4.794 -6.138 1.00 0.26 N ATOM 1329 CD2 HIS A 90 82.728 3.122 -4.727 1.00 0.25 C ATOM 1330 CE1 HIS A 90 84.190 4.180 -5.938 1.00 0.29 C ATOM 1331 NE2 HIS A 90 84.072 3.155 -5.089 1.00 0.28 N ATOM 0 H HIS A 90 80.426 5.146 -2.517 1.00 0.16 H new ATOM 0 HA HIS A 90 81.154 6.675 -4.986 1.00 0.17 H new ATOM 0 HB2 HIS A 90 79.997 3.823 -4.871 1.00 0.21 H new ATOM 0 HB3 HIS A 90 80.243 4.743 -6.342 1.00 0.21 H new ATOM 0 HD1 HIS A 90 82.846 5.598 -6.744 1.00 0.26 H new ATOM 0 HD2 HIS A 90 82.281 2.412 -4.047 1.00 0.25 H new ATOM 0 HE1 HIS A 90 85.117 4.478 -6.405 1.00 0.29 H new ATOM 1339 N ILE A 91 78.442 6.348 -3.380 1.00 0.15 N ATOM 1340 CA ILE A 91 77.037 6.853 -3.346 1.00 0.14 C ATOM 1341 C ILE A 91 77.059 8.364 -3.125 1.00 0.14 C ATOM 1342 O ILE A 91 77.395 8.840 -2.059 1.00 0.15 O ATOM 1343 CB ILE A 91 76.264 6.178 -2.204 1.00 0.15 C ATOM 1344 CG1 ILE A 91 76.172 4.650 -2.440 1.00 0.16 C ATOM 1345 CG2 ILE A 91 74.859 6.786 -2.124 1.00 0.17 C ATOM 1346 CD1 ILE A 91 75.039 4.318 -3.431 1.00 0.17 C ATOM 0 H ILE A 91 78.800 5.982 -2.498 1.00 0.15 H new ATOM 0 HA ILE A 91 76.544 6.622 -4.290 1.00 0.14 H new ATOM 0 HB ILE A 91 76.790 6.345 -1.264 1.00 0.15 H new ATOM 0 HG12 ILE A 91 77.121 4.279 -2.828 1.00 0.16 H new ATOM 0 HG13 ILE A 91 75.994 4.141 -1.493 1.00 0.16 H new ATOM 0 HG21 ILE A 91 74.303 6.312 -1.315 1.00 0.17 H new ATOM 0 HG22 ILE A 91 74.936 7.856 -1.933 1.00 0.17 H new ATOM 0 HG23 ILE A 91 74.338 6.623 -3.067 1.00 0.17 H new ATOM 0 HD11 ILE A 91 74.992 3.240 -3.582 1.00 0.17 H new ATOM 0 HD12 ILE A 91 74.089 4.669 -3.029 1.00 0.17 H new ATOM 0 HD13 ILE A 91 75.233 4.810 -4.384 1.00 0.17 H new ATOM 1358 N ALA A 92 76.697 9.116 -4.141 1.00 0.15 N ATOM 1359 CA ALA A 92 76.696 10.614 -4.017 1.00 0.16 C ATOM 1360 C ALA A 92 75.285 11.172 -4.207 1.00 0.16 C ATOM 1361 O ALA A 92 74.395 10.502 -4.689 1.00 0.15 O ATOM 1362 CB ALA A 92 77.583 11.252 -5.097 1.00 0.17 C ATOM 0 H ALA A 92 76.402 8.759 -5.050 1.00 0.15 H new ATOM 0 HA ALA A 92 77.073 10.851 -3.022 1.00 0.16 H new ATOM 0 HB1 ALA A 92 77.567 12.336 -4.987 1.00 0.17 H new ATOM 0 HB2 ALA A 92 78.606 10.892 -4.987 1.00 0.17 H new ATOM 0 HB3 ALA A 92 77.207 10.981 -6.084 1.00 0.17 H new ATOM 1368 N ASN A 93 75.101 12.424 -3.864 1.00 0.17 N ATOM 1369 CA ASN A 93 73.780 13.097 -4.048 1.00 0.18 C ATOM 1370 C ASN A 93 73.952 14.142 -5.151 1.00 0.18 C ATOM 1371 O ASN A 93 74.611 15.145 -4.956 1.00 0.19 O ATOM 1372 CB ASN A 93 73.369 13.791 -2.745 1.00 0.20 C ATOM 1373 CG ASN A 93 72.090 14.600 -2.972 1.00 0.20 C ATOM 1374 OD1 ASN A 93 71.278 14.254 -3.808 1.00 0.34 O ATOM 1375 ND2 ASN A 93 71.874 15.671 -2.256 1.00 0.34 N ATOM 0 H ASN A 93 75.825 13.017 -3.457 1.00 0.17 H new ATOM 0 HA ASN A 93 73.010 12.373 -4.314 1.00 0.18 H new ATOM 0 HB2 ASN A 93 73.208 13.050 -1.962 1.00 0.20 H new ATOM 0 HB3 ASN A 93 74.170 14.447 -2.403 1.00 0.20 H new ATOM 0 HD21 ASN A 93 71.024 16.217 -2.398 1.00 0.34 H new ATOM 0 HD22 ASN A 93 72.555 15.961 -1.555 1.00 0.34 H new ATOM 1382 N ILE A 94 73.367 13.925 -6.304 1.00 0.18 N ATOM 1383 CA ILE A 94 73.496 14.917 -7.423 1.00 0.18 C ATOM 1384 C ILE A 94 72.113 15.521 -7.665 1.00 0.18 C ATOM 1385 O ILE A 94 71.215 14.891 -8.184 1.00 0.17 O ATOM 1386 CB ILE A 94 74.001 14.178 -8.670 1.00 0.19 C ATOM 1387 CG1 ILE A 94 75.459 13.754 -8.441 1.00 0.26 C ATOM 1388 CG2 ILE A 94 73.942 15.064 -9.919 1.00 0.24 C ATOM 1389 CD1 ILE A 94 75.891 12.714 -9.479 1.00 0.23 C ATOM 0 H ILE A 94 72.804 13.103 -6.521 1.00 0.18 H new ATOM 0 HA ILE A 94 74.201 15.713 -7.183 1.00 0.18 H new ATOM 0 HB ILE A 94 73.358 13.313 -8.832 1.00 0.19 H new ATOM 0 HG12 ILE A 94 76.110 14.626 -8.500 1.00 0.26 H new ATOM 0 HG13 ILE A 94 75.570 13.342 -7.438 1.00 0.26 H new ATOM 0 HG21 ILE A 94 74.308 14.504 -10.780 1.00 0.24 H new ATOM 0 HG22 ILE A 94 72.912 15.373 -10.098 1.00 0.24 H new ATOM 0 HG23 ILE A 94 74.564 15.946 -9.769 1.00 0.24 H new ATOM 0 HD11 ILE A 94 76.927 12.428 -9.298 1.00 0.23 H new ATOM 0 HD12 ILE A 94 75.252 11.834 -9.400 1.00 0.23 H new ATOM 0 HD13 ILE A 94 75.801 13.139 -10.479 1.00 0.23 H new ATOM 1401 N ASP A 95 71.968 16.757 -7.290 1.00 0.18 N ATOM 1402 CA ASP A 95 70.680 17.477 -7.485 1.00 0.18 C ATOM 1403 C ASP A 95 69.553 16.858 -6.646 1.00 0.18 C ATOM 1404 O ASP A 95 68.400 16.908 -7.025 1.00 0.18 O ATOM 1405 CB ASP A 95 70.303 17.445 -8.972 1.00 0.18 C ATOM 1406 CG ASP A 95 69.311 18.574 -9.274 1.00 0.19 C ATOM 1407 OD1 ASP A 95 68.696 19.060 -8.336 1.00 0.22 O ATOM 1408 OD2 ASP A 95 69.186 18.935 -10.432 1.00 0.22 O ATOM 0 H ASP A 95 72.701 17.311 -6.848 1.00 0.18 H new ATOM 0 HA ASP A 95 70.810 18.507 -7.154 1.00 0.18 H new ATOM 0 HB2 ASP A 95 71.196 17.558 -9.587 1.00 0.18 H new ATOM 0 HB3 ASP A 95 69.861 16.481 -9.225 1.00 0.18 H new ATOM 1413 N GLY A 96 69.856 16.301 -5.498 1.00 0.18 N ATOM 1414 CA GLY A 96 68.773 15.721 -4.641 1.00 0.18 C ATOM 1415 C GLY A 96 68.492 14.256 -5.004 1.00 0.18 C ATOM 1416 O GLY A 96 67.661 13.618 -4.390 1.00 0.19 O ATOM 0 H GLY A 96 70.800 16.223 -5.119 1.00 0.18 H new ATOM 0 HA2 GLY A 96 69.062 15.788 -3.592 1.00 0.18 H new ATOM 0 HA3 GLY A 96 67.862 16.307 -4.758 1.00 0.18 H new ATOM 1420 N THR A 97 69.180 13.712 -5.981 1.00 0.17 N ATOM 1421 CA THR A 97 68.949 12.277 -6.370 1.00 0.18 C ATOM 1422 C THR A 97 70.232 11.474 -6.137 1.00 0.17 C ATOM 1423 O THR A 97 71.325 11.948 -6.382 1.00 0.18 O ATOM 1424 CB THR A 97 68.549 12.206 -7.849 1.00 0.21 C ATOM 1425 OG1 THR A 97 67.246 12.754 -8.003 1.00 0.24 O ATOM 1426 CG2 THR A 97 68.544 10.749 -8.320 1.00 0.23 C ATOM 0 H THR A 97 69.892 14.197 -6.527 1.00 0.17 H new ATOM 0 HA THR A 97 68.147 11.857 -5.763 1.00 0.18 H new ATOM 0 HB THR A 97 69.265 12.771 -8.445 1.00 0.21 H new ATOM 0 HG1 THR A 97 66.984 12.714 -8.946 1.00 0.24 H new ATOM 0 HG21 THR A 97 68.259 10.707 -9.371 1.00 0.23 H new ATOM 0 HG22 THR A 97 69.540 10.323 -8.197 1.00 0.23 H new ATOM 0 HG23 THR A 97 67.830 10.178 -7.727 1.00 0.23 H new ATOM 1434 N LEU A 98 70.110 10.262 -5.654 1.00 0.17 N ATOM 1435 CA LEU A 98 71.326 9.436 -5.398 1.00 0.17 C ATOM 1436 C LEU A 98 71.769 8.758 -6.697 1.00 0.16 C ATOM 1437 O LEU A 98 70.959 8.236 -7.437 1.00 0.17 O ATOM 1438 CB LEU A 98 71.010 8.340 -4.377 1.00 0.18 C ATOM 1439 CG LEU A 98 70.425 8.929 -3.089 1.00 0.18 C ATOM 1440 CD1 LEU A 98 70.272 7.789 -2.079 1.00 0.22 C ATOM 1441 CD2 LEU A 98 71.369 10.000 -2.522 1.00 0.26 C ATOM 0 H LEU A 98 69.223 9.812 -5.427 1.00 0.17 H new ATOM 0 HA LEU A 98 72.113 10.087 -5.018 1.00 0.17 H new ATOM 0 HB2 LEU A 98 70.303 7.631 -4.809 1.00 0.18 H new ATOM 0 HB3 LEU A 98 71.918 7.784 -4.145 1.00 0.18 H new ATOM 0 HG LEU A 98 69.460 9.394 -3.292 1.00 0.18 H new ATOM 0 HD11 LEU A 98 69.857 8.179 -1.150 1.00 0.22 H new ATOM 0 HD12 LEU A 98 69.603 7.030 -2.485 1.00 0.22 H new ATOM 0 HD13 LEU A 98 71.247 7.344 -1.882 1.00 0.22 H new ATOM 0 HD21 LEU A 98 70.944 10.412 -1.607 1.00 0.26 H new ATOM 0 HD22 LEU A 98 72.338 9.552 -2.302 1.00 0.26 H new ATOM 0 HD23 LEU A 98 71.496 10.797 -3.254 1.00 0.26 H new ATOM 1453 N LYS A 99 73.052 8.742 -6.966 1.00 0.16 N ATOM 1454 CA LYS A 99 73.557 8.073 -8.207 1.00 0.16 C ATOM 1455 C LYS A 99 74.933 7.460 -7.922 1.00 0.16 C ATOM 1456 O LYS A 99 75.819 8.119 -7.411 1.00 0.18 O ATOM 1457 CB LYS A 99 73.708 9.097 -9.338 1.00 0.17 C ATOM 1458 CG LYS A 99 72.334 9.571 -9.819 1.00 0.19 C ATOM 1459 CD LYS A 99 72.513 10.593 -10.948 1.00 0.23 C ATOM 1460 CE LYS A 99 71.144 11.079 -11.431 1.00 0.66 C ATOM 1461 NZ LYS A 99 70.628 12.112 -10.487 1.00 1.38 N ATOM 0 H LYS A 99 73.772 9.164 -6.380 1.00 0.16 H new ATOM 0 HA LYS A 99 72.847 7.302 -8.506 1.00 0.16 H new ATOM 0 HB2 LYS A 99 74.292 9.949 -8.990 1.00 0.17 H new ATOM 0 HB3 LYS A 99 74.257 8.653 -10.168 1.00 0.17 H new ATOM 0 HG2 LYS A 99 71.748 8.723 -10.172 1.00 0.19 H new ATOM 0 HG3 LYS A 99 71.782 10.019 -8.993 1.00 0.19 H new ATOM 0 HD2 LYS A 99 73.105 11.438 -10.596 1.00 0.23 H new ATOM 0 HD3 LYS A 99 73.061 10.142 -11.775 1.00 0.23 H new ATOM 0 HE2 LYS A 99 71.226 11.496 -12.435 1.00 0.66 H new ATOM 0 HE3 LYS A 99 70.448 10.242 -11.489 1.00 0.66 H new ATOM 0 HZ1 LYS A 99 69.590 12.059 -10.448 1.00 1.38 H new ATOM 0 HZ2 LYS A 99 71.019 11.942 -9.538 1.00 1.38 H new ATOM 0 HZ3 LYS A 99 70.915 13.056 -10.815 1.00 1.38 H new ATOM 1475 N TYR A 100 75.128 6.215 -8.262 1.00 0.16 N ATOM 1476 CA TYR A 100 76.452 5.563 -8.036 1.00 0.17 C ATOM 1477 C TYR A 100 77.469 6.164 -9.012 1.00 0.21 C ATOM 1478 O TYR A 100 77.165 6.404 -10.164 1.00 0.22 O ATOM 1479 CB TYR A 100 76.329 4.060 -8.321 1.00 0.17 C ATOM 1480 CG TYR A 100 77.696 3.420 -8.254 1.00 0.19 C ATOM 1481 CD1 TYR A 100 78.544 3.473 -9.368 1.00 0.25 C ATOM 1482 CD2 TYR A 100 78.124 2.783 -7.080 1.00 0.19 C ATOM 1483 CE1 TYR A 100 79.815 2.889 -9.312 1.00 0.29 C ATOM 1484 CE2 TYR A 100 79.398 2.201 -7.026 1.00 0.24 C ATOM 1485 CZ TYR A 100 80.242 2.254 -8.141 1.00 0.28 C ATOM 1486 OH TYR A 100 81.495 1.678 -8.084 1.00 0.33 O ATOM 0 H TYR A 100 74.422 5.616 -8.690 1.00 0.16 H new ATOM 0 HA TYR A 100 76.773 5.722 -7.006 1.00 0.17 H new ATOM 0 HB2 TYR A 100 75.662 3.595 -7.595 1.00 0.17 H new ATOM 0 HB3 TYR A 100 75.889 3.901 -9.306 1.00 0.17 H new ATOM 0 HD1 TYR A 100 78.216 3.965 -10.272 1.00 0.25 H new ATOM 0 HD2 TYR A 100 77.473 2.741 -6.219 1.00 0.19 H new ATOM 0 HE1 TYR A 100 80.466 2.929 -10.173 1.00 0.29 H new ATOM 0 HE2 TYR A 100 79.729 1.711 -6.122 1.00 0.24 H new ATOM 0 HH TYR A 100 81.633 1.281 -7.199 1.00 0.33 H new ATOM 1496 N GLU A 101 78.680 6.396 -8.567 1.00 0.26 N ATOM 1497 CA GLU A 101 79.724 6.971 -9.472 1.00 0.33 C ATOM 1498 C GLU A 101 81.066 6.288 -9.197 1.00 0.40 C ATOM 1499 O GLU A 101 81.809 6.081 -10.143 1.00 1.14 O ATOM 1500 CB GLU A 101 79.846 8.482 -9.221 1.00 0.41 C ATOM 1501 CG GLU A 101 80.376 8.752 -7.803 1.00 0.45 C ATOM 1502 CD GLU A 101 80.480 10.262 -7.582 1.00 1.09 C ATOM 1503 OE1 GLU A 101 80.402 10.990 -8.558 1.00 1.69 O ATOM 1504 OE2 GLU A 101 80.638 10.665 -6.441 1.00 1.44 O ATOM 1505 OXT GLU A 101 81.327 5.981 -8.045 1.00 1.12 O ATOM 0 H GLU A 101 78.991 6.211 -7.613 1.00 0.26 H new ATOM 0 HA GLU A 101 79.441 6.803 -10.511 1.00 0.33 H new ATOM 0 HB2 GLU A 101 80.517 8.926 -9.957 1.00 0.41 H new ATOM 0 HB3 GLU A 101 78.873 8.957 -9.349 1.00 0.41 H new ATOM 0 HG2 GLU A 101 79.709 8.309 -7.063 1.00 0.45 H new ATOM 0 HG3 GLU A 101 81.352 8.285 -7.672 1.00 0.45 H new