USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 599 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 75 TYR OH : rot -100:sc= 0.0781 USER MOD Set 1.2: A 79 HIS : no HD1:sc= 0.0599 X(o=0.14,f=-0.00074) USER MOD Set 2.1: A 33 THR OG1 : rot 180:sc= 0.0392 USER MOD Set 2.2: A 43 MET CE :methyl -129:sc= -6.93! (180deg=-5.4!) USER MOD Single : A 3 THR OG1 : rot -4:sc= 0.85 USER MOD Single : A 4 GLN : amide:sc= -0.758 K(o=-0.76,f=-0.0026) USER MOD Single : A 16 ASN : amide:sc= 0.468 X(o=0.47,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 178:sc= 1.12 (180deg=1.09) USER MOD Single : A 31 SER OG : rot 78:sc= 0.65 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= -0.0286 USER MOD Single : A 57 LYS NZ :NH3+ 147:sc= 1.09 (180deg=0.342) USER MOD Single : A 64 LYS NZ :NH3+ -171:sc= -0.0113 (180deg=-0.117) USER MOD Single : A 65 ASN : amide:sc= 0.611 K(o=0.61,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.228 USER MOD Single : A 73 THR OG1 : rot 90:sc= 0.813 USER MOD Single : A 74 LYS NZ :NH3+ -179:sc= 1.12 (180deg=1.11) USER MOD Single : A 80 GLN : amide:sc= -1.96! K(o=-2!,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 23 N THR A 3 -12.520 -7.134 0.025 1.00 0.54 N ATOM 24 CA THR A 3 -11.916 -8.150 0.833 1.00 0.48 C ATOM 25 C THR A 3 -10.488 -7.693 1.159 1.00 0.39 C ATOM 26 O THR A 3 -9.738 -7.343 0.259 1.00 0.37 O ATOM 27 CB THR A 3 -11.912 -9.436 0.012 1.00 0.54 C ATOM 28 OG1 THR A 3 -12.853 -9.271 -1.087 1.00 1.05 O ATOM 29 CG2 THR A 3 -12.389 -10.586 0.869 1.00 0.94 C ATOM 0 HA THR A 3 -12.452 -8.323 1.766 1.00 0.48 H new ATOM 0 HB THR A 3 -10.906 -9.640 -0.354 1.00 0.54 H new ATOM 0 HG1 THR A 3 -13.310 -8.408 -1.000 1.00 1.05 H new ATOM 0 HG21 THR A 3 -12.386 -11.504 0.281 1.00 0.94 H new ATOM 0 HG22 THR A 3 -11.725 -10.701 1.726 1.00 0.94 H new ATOM 0 HG23 THR A 3 -13.401 -10.383 1.219 1.00 0.94 H new ATOM 37 N GLN A 4 -10.144 -7.656 2.436 1.00 0.39 N ATOM 38 CA GLN A 4 -8.900 -7.040 2.915 1.00 0.34 C ATOM 39 C GLN A 4 -7.656 -7.599 2.229 1.00 0.27 C ATOM 40 O GLN A 4 -6.776 -6.867 1.824 1.00 0.25 O ATOM 41 CB GLN A 4 -8.774 -7.198 4.426 1.00 0.47 C ATOM 42 CG GLN A 4 -9.963 -6.644 5.184 1.00 0.63 C ATOM 43 CD GLN A 4 -9.833 -6.742 6.693 1.00 0.81 C ATOM 44 OE1 GLN A 4 -10.830 -6.901 7.391 1.00 1.25 O ATOM 45 NE2 GLN A 4 -8.640 -6.603 7.208 1.00 1.20 N ATOM 0 H GLN A 4 -10.718 -8.053 3.180 1.00 0.39 H new ATOM 0 HA GLN A 4 -8.960 -5.982 2.659 1.00 0.34 H new ATOM 0 HB2 GLN A 4 -8.658 -8.255 4.666 1.00 0.47 H new ATOM 0 HB3 GLN A 4 -7.869 -6.693 4.764 1.00 0.47 H new ATOM 0 HG2 GLN A 4 -10.101 -5.598 4.909 1.00 0.63 H new ATOM 0 HG3 GLN A 4 -10.861 -7.177 4.871 1.00 0.63 H new ATOM 0 HE21 GLN A 4 -7.833 -6.473 6.598 1.00 1.20 H new ATOM 0 HE22 GLN A 4 -8.516 -6.625 8.220 1.00 1.20 H new ATOM 54 N GLU A 5 -7.640 -8.869 2.019 1.00 0.33 N ATOM 55 CA GLU A 5 -6.470 -9.531 1.462 1.00 0.37 C ATOM 56 C GLU A 5 -6.444 -9.398 -0.047 1.00 0.30 C ATOM 57 O GLU A 5 -5.394 -9.465 -0.670 1.00 0.32 O ATOM 58 CB GLU A 5 -6.412 -10.963 1.930 1.00 0.56 C ATOM 59 CG GLU A 5 -6.315 -11.047 3.434 1.00 0.85 C ATOM 60 CD GLU A 5 -6.367 -12.435 3.942 1.00 1.42 C ATOM 61 OE1 GLU A 5 -5.334 -13.129 3.907 1.00 2.30 O ATOM 62 OE2 GLU A 5 -7.431 -12.852 4.431 1.00 1.67 O ATOM 0 H GLU A 5 -8.423 -9.491 2.221 1.00 0.33 H new ATOM 0 HA GLU A 5 -5.568 -9.040 1.827 1.00 0.37 H new ATOM 0 HB2 GLU A 5 -7.301 -11.495 1.591 1.00 0.56 H new ATOM 0 HB3 GLU A 5 -5.553 -11.460 1.480 1.00 0.56 H new ATOM 0 HG2 GLU A 5 -5.384 -10.582 3.759 1.00 0.85 H new ATOM 0 HG3 GLU A 5 -7.129 -10.473 3.877 1.00 0.85 H new ATOM 69 N GLU A 6 -7.611 -9.184 -0.602 1.00 0.31 N ATOM 70 CA GLU A 6 -7.804 -8.878 -2.004 1.00 0.34 C ATOM 71 C GLU A 6 -7.196 -7.498 -2.266 1.00 0.25 C ATOM 72 O GLU A 6 -6.601 -7.240 -3.322 1.00 0.27 O ATOM 73 CB GLU A 6 -9.306 -8.884 -2.272 1.00 0.47 C ATOM 74 CG GLU A 6 -9.761 -8.643 -3.682 1.00 0.57 C ATOM 75 CD GLU A 6 -11.263 -8.670 -3.738 1.00 1.19 C ATOM 76 OE1 GLU A 6 -11.852 -9.775 -3.711 1.00 1.75 O ATOM 77 OE2 GLU A 6 -11.890 -7.609 -3.754 1.00 1.92 O ATOM 0 H GLU A 6 -8.484 -9.218 -0.075 1.00 0.31 H new ATOM 0 HA GLU A 6 -7.324 -9.604 -2.661 1.00 0.34 H new ATOM 0 HB2 GLU A 6 -9.701 -9.848 -1.952 1.00 0.47 H new ATOM 0 HB3 GLU A 6 -9.764 -8.126 -1.637 1.00 0.47 H new ATOM 0 HG2 GLU A 6 -9.391 -7.680 -4.035 1.00 0.57 H new ATOM 0 HG3 GLU A 6 -9.348 -9.405 -4.343 1.00 0.57 H new ATOM 84 N ILE A 7 -7.333 -6.633 -1.269 1.00 0.21 N ATOM 85 CA ILE A 7 -6.730 -5.324 -1.274 1.00 0.19 C ATOM 86 C ILE A 7 -5.215 -5.509 -1.172 1.00 0.18 C ATOM 87 O ILE A 7 -4.469 -5.003 -1.977 1.00 0.21 O ATOM 88 CB ILE A 7 -7.223 -4.494 -0.064 1.00 0.20 C ATOM 89 CG1 ILE A 7 -8.760 -4.471 -0.016 1.00 0.25 C ATOM 90 CG2 ILE A 7 -6.653 -3.081 -0.109 1.00 0.26 C ATOM 91 CD1 ILE A 7 -9.354 -3.591 1.072 1.00 0.29 C ATOM 0 H ILE A 7 -7.874 -6.832 -0.428 1.00 0.21 H new ATOM 0 HA ILE A 7 -7.002 -4.795 -2.188 1.00 0.19 H new ATOM 0 HB ILE A 7 -6.864 -4.969 0.849 1.00 0.20 H new ATOM 0 HG12 ILE A 7 -9.134 -4.132 -0.982 1.00 0.25 H new ATOM 0 HG13 ILE A 7 -9.120 -5.490 0.125 1.00 0.25 H new ATOM 0 HG21 ILE A 7 -7.013 -2.516 0.751 1.00 0.26 H new ATOM 0 HG22 ILE A 7 -5.564 -3.127 -0.083 1.00 0.26 H new ATOM 0 HG23 ILE A 7 -6.974 -2.588 -1.027 1.00 0.26 H new ATOM 0 HD11 ILE A 7 -10.442 -3.640 1.026 1.00 0.29 H new ATOM 0 HD12 ILE A 7 -9.016 -3.940 2.048 1.00 0.29 H new ATOM 0 HD13 ILE A 7 -9.031 -2.561 0.924 1.00 0.29 H new ATOM 103 N VAL A 8 -4.789 -6.257 -0.176 1.00 0.18 N ATOM 104 CA VAL A 8 -3.376 -6.577 0.041 1.00 0.20 C ATOM 105 C VAL A 8 -2.728 -7.159 -1.227 1.00 0.23 C ATOM 106 O VAL A 8 -1.620 -6.793 -1.573 1.00 0.26 O ATOM 107 CB VAL A 8 -3.227 -7.557 1.223 1.00 0.23 C ATOM 108 CG1 VAL A 8 -1.782 -7.993 1.407 1.00 0.32 C ATOM 109 CG2 VAL A 8 -3.738 -6.899 2.484 1.00 0.23 C ATOM 0 H VAL A 8 -5.413 -6.669 0.518 1.00 0.18 H new ATOM 0 HA VAL A 8 -2.855 -5.650 0.281 1.00 0.20 H new ATOM 0 HB VAL A 8 -3.814 -8.450 1.008 1.00 0.23 H new ATOM 0 HG11 VAL A 8 -1.714 -8.683 2.248 1.00 0.32 H new ATOM 0 HG12 VAL A 8 -1.434 -8.490 0.501 1.00 0.32 H new ATOM 0 HG13 VAL A 8 -1.161 -7.119 1.603 1.00 0.32 H new ATOM 0 HG21 VAL A 8 -3.634 -7.588 3.322 1.00 0.23 H new ATOM 0 HG22 VAL A 8 -3.160 -5.996 2.683 1.00 0.23 H new ATOM 0 HG23 VAL A 8 -4.788 -6.637 2.358 1.00 0.23 H new ATOM 119 N ALA A 9 -3.444 -8.029 -1.914 1.00 0.24 N ATOM 120 CA ALA A 9 -2.971 -8.622 -3.167 1.00 0.28 C ATOM 121 C ALA A 9 -2.792 -7.543 -4.225 1.00 0.26 C ATOM 122 O ALA A 9 -1.851 -7.586 -5.023 1.00 0.29 O ATOM 123 CB ALA A 9 -3.941 -9.681 -3.665 1.00 0.32 C ATOM 0 H ALA A 9 -4.369 -8.349 -1.627 1.00 0.24 H new ATOM 0 HA ALA A 9 -2.009 -9.098 -2.976 1.00 0.28 H new ATOM 0 HB1 ALA A 9 -3.568 -10.107 -4.597 1.00 0.32 H new ATOM 0 HB2 ALA A 9 -4.035 -10.469 -2.918 1.00 0.32 H new ATOM 0 HB3 ALA A 9 -4.917 -9.228 -3.838 1.00 0.32 H new ATOM 129 N GLY A 10 -3.688 -6.568 -4.201 1.00 0.24 N ATOM 130 CA GLY A 10 -3.609 -5.447 -5.095 1.00 0.25 C ATOM 131 C GLY A 10 -2.415 -4.597 -4.765 1.00 0.25 C ATOM 132 O GLY A 10 -1.713 -4.151 -5.639 1.00 0.31 O ATOM 0 H GLY A 10 -4.482 -6.541 -3.561 1.00 0.24 H new ATOM 0 HA2 GLY A 10 -3.540 -5.799 -6.124 1.00 0.25 H new ATOM 0 HA3 GLY A 10 -4.519 -4.851 -5.023 1.00 0.25 H new ATOM 136 N LEU A 11 -2.191 -4.392 -3.489 1.00 0.21 N ATOM 137 CA LEU A 11 -1.037 -3.653 -3.017 1.00 0.22 C ATOM 138 C LEU A 11 0.243 -4.368 -3.402 1.00 0.23 C ATOM 139 O LEU A 11 1.144 -3.768 -3.972 1.00 0.26 O ATOM 140 CB LEU A 11 -1.087 -3.480 -1.502 1.00 0.22 C ATOM 141 CG LEU A 11 -2.152 -2.541 -0.958 1.00 0.23 C ATOM 142 CD1 LEU A 11 -2.157 -2.586 0.555 1.00 0.28 C ATOM 143 CD2 LEU A 11 -1.884 -1.124 -1.435 1.00 0.29 C ATOM 0 H LEU A 11 -2.802 -4.731 -2.746 1.00 0.21 H new ATOM 0 HA LEU A 11 -1.054 -2.669 -3.486 1.00 0.22 H new ATOM 0 HB2 LEU A 11 -1.236 -4.461 -1.052 1.00 0.22 H new ATOM 0 HB3 LEU A 11 -0.114 -3.121 -1.168 1.00 0.22 H new ATOM 0 HG LEU A 11 -3.128 -2.860 -1.324 1.00 0.23 H new ATOM 0 HD11 LEU A 11 -2.923 -1.911 0.937 1.00 0.28 H new ATOM 0 HD12 LEU A 11 -2.370 -3.602 0.888 1.00 0.28 H new ATOM 0 HD13 LEU A 11 -1.181 -2.278 0.931 1.00 0.28 H new ATOM 0 HD21 LEU A 11 -2.651 -0.457 -1.042 1.00 0.29 H new ATOM 0 HD22 LEU A 11 -0.905 -0.800 -1.082 1.00 0.29 H new ATOM 0 HD23 LEU A 11 -1.904 -1.097 -2.524 1.00 0.29 H new ATOM 155 N ALA A 12 0.279 -5.656 -3.116 1.00 0.21 N ATOM 156 CA ALA A 12 1.422 -6.518 -3.371 1.00 0.22 C ATOM 157 C ALA A 12 1.884 -6.432 -4.813 1.00 0.23 C ATOM 158 O ALA A 12 3.086 -6.299 -5.088 1.00 0.24 O ATOM 159 CB ALA A 12 1.067 -7.951 -3.013 1.00 0.24 C ATOM 0 H ALA A 12 -0.506 -6.146 -2.688 1.00 0.21 H new ATOM 0 HA ALA A 12 2.249 -6.178 -2.747 1.00 0.22 H new ATOM 0 HB1 ALA A 12 1.924 -8.597 -3.204 1.00 0.24 H new ATOM 0 HB2 ALA A 12 0.799 -8.007 -1.958 1.00 0.24 H new ATOM 0 HB3 ALA A 12 0.223 -8.279 -3.620 1.00 0.24 H new ATOM 165 N GLU A 13 0.936 -6.466 -5.731 1.00 0.24 N ATOM 166 CA GLU A 13 1.276 -6.402 -7.140 1.00 0.28 C ATOM 167 C GLU A 13 1.873 -5.050 -7.528 1.00 0.25 C ATOM 168 O GLU A 13 2.848 -4.994 -8.281 1.00 0.33 O ATOM 169 CB GLU A 13 0.118 -6.837 -8.036 1.00 0.44 C ATOM 170 CG GLU A 13 -1.132 -6.014 -7.888 1.00 0.53 C ATOM 171 CD GLU A 13 -2.266 -6.529 -8.699 1.00 1.02 C ATOM 172 OE1 GLU A 13 -2.089 -6.754 -9.900 1.00 1.23 O ATOM 173 OE2 GLU A 13 -3.350 -6.744 -8.147 1.00 1.46 O ATOM 0 H GLU A 13 -0.062 -6.537 -5.531 1.00 0.24 H new ATOM 0 HA GLU A 13 2.067 -7.132 -7.312 1.00 0.28 H new ATOM 0 HB2 GLU A 13 0.444 -6.794 -9.075 1.00 0.44 H new ATOM 0 HB3 GLU A 13 -0.121 -7.878 -7.819 1.00 0.44 H new ATOM 0 HG2 GLU A 13 -1.424 -5.992 -6.838 1.00 0.53 H new ATOM 0 HG3 GLU A 13 -0.920 -4.986 -8.181 1.00 0.53 H new ATOM 180 N ILE A 14 1.338 -3.995 -6.956 1.00 0.23 N ATOM 181 CA ILE A 14 1.829 -2.634 -7.159 1.00 0.25 C ATOM 182 C ILE A 14 3.253 -2.520 -6.611 1.00 0.22 C ATOM 183 O ILE A 14 4.160 -1.992 -7.271 1.00 0.22 O ATOM 184 CB ILE A 14 0.917 -1.660 -6.396 1.00 0.30 C ATOM 185 CG1 ILE A 14 -0.477 -1.685 -6.979 1.00 0.33 C ATOM 186 CG2 ILE A 14 1.477 -0.250 -6.417 1.00 0.36 C ATOM 187 CD1 ILE A 14 -1.484 -1.021 -6.099 1.00 0.41 C ATOM 0 H ILE A 14 0.538 -4.050 -6.326 1.00 0.23 H new ATOM 0 HA ILE A 14 1.828 -2.395 -8.222 1.00 0.25 H new ATOM 0 HB ILE A 14 0.871 -1.984 -5.356 1.00 0.30 H new ATOM 0 HG12 ILE A 14 -0.468 -1.191 -7.951 1.00 0.33 H new ATOM 0 HG13 ILE A 14 -0.776 -2.719 -7.150 1.00 0.33 H new ATOM 0 HG21 ILE A 14 0.809 0.415 -5.869 1.00 0.36 H new ATOM 0 HG22 ILE A 14 2.461 -0.242 -5.949 1.00 0.36 H new ATOM 0 HG23 ILE A 14 1.563 0.092 -7.448 1.00 0.36 H new ATOM 0 HD11 ILE A 14 -2.466 -1.070 -6.569 1.00 0.41 H new ATOM 0 HD12 ILE A 14 -1.517 -1.530 -5.136 1.00 0.41 H new ATOM 0 HD13 ILE A 14 -1.205 0.022 -5.949 1.00 0.41 H new ATOM 199 N VAL A 15 3.437 -3.025 -5.400 1.00 0.21 N ATOM 200 CA VAL A 15 4.725 -3.018 -4.725 1.00 0.19 C ATOM 201 C VAL A 15 5.782 -3.718 -5.566 1.00 0.18 C ATOM 202 O VAL A 15 6.914 -3.284 -5.628 1.00 0.22 O ATOM 203 CB VAL A 15 4.637 -3.681 -3.318 1.00 0.22 C ATOM 204 CG1 VAL A 15 5.994 -3.734 -2.627 1.00 0.23 C ATOM 205 CG2 VAL A 15 3.664 -2.930 -2.449 1.00 0.29 C ATOM 0 H VAL A 15 2.690 -3.455 -4.854 1.00 0.21 H new ATOM 0 HA VAL A 15 5.015 -1.976 -4.592 1.00 0.19 H new ATOM 0 HB VAL A 15 4.291 -4.704 -3.465 1.00 0.22 H new ATOM 0 HG11 VAL A 15 5.886 -4.204 -1.649 1.00 0.23 H new ATOM 0 HG12 VAL A 15 6.689 -4.314 -3.234 1.00 0.23 H new ATOM 0 HG13 VAL A 15 6.379 -2.722 -2.503 1.00 0.23 H new ATOM 0 HG21 VAL A 15 3.612 -3.403 -1.469 1.00 0.29 H new ATOM 0 HG22 VAL A 15 3.998 -1.898 -2.337 1.00 0.29 H new ATOM 0 HG23 VAL A 15 2.677 -2.944 -2.912 1.00 0.29 H new ATOM 215 N ASN A 16 5.402 -4.754 -6.251 1.00 0.17 N ATOM 216 CA ASN A 16 6.350 -5.496 -7.060 1.00 0.19 C ATOM 217 C ASN A 16 6.767 -4.703 -8.296 1.00 0.22 C ATOM 218 O ASN A 16 7.896 -4.811 -8.763 1.00 0.27 O ATOM 219 CB ASN A 16 5.774 -6.838 -7.452 1.00 0.23 C ATOM 220 CG ASN A 16 6.807 -7.763 -8.053 1.00 0.31 C ATOM 221 OD1 ASN A 16 6.979 -7.844 -9.269 1.00 0.64 O ATOM 222 ND2 ASN A 16 7.517 -8.436 -7.201 1.00 0.29 N ATOM 0 H ASN A 16 4.447 -5.112 -6.273 1.00 0.17 H new ATOM 0 HA ASN A 16 7.244 -5.665 -6.460 1.00 0.19 H new ATOM 0 HB2 ASN A 16 5.336 -7.311 -6.573 1.00 0.23 H new ATOM 0 HB3 ASN A 16 4.967 -6.687 -8.169 1.00 0.23 H new ATOM 0 HD21 ASN A 16 8.251 -9.062 -7.531 1.00 0.29 H new ATOM 0 HD22 ASN A 16 7.341 -8.339 -6.201 1.00 0.29 H new ATOM 229 N GLU A 17 5.873 -3.871 -8.779 1.00 0.23 N ATOM 230 CA GLU A 17 6.124 -3.055 -9.931 1.00 0.29 C ATOM 231 C GLU A 17 6.997 -1.877 -9.585 1.00 0.30 C ATOM 232 O GLU A 17 7.951 -1.564 -10.296 1.00 0.44 O ATOM 233 CB GLU A 17 4.816 -2.515 -10.449 1.00 0.38 C ATOM 234 CG GLU A 17 3.854 -3.563 -10.884 1.00 0.63 C ATOM 235 CD GLU A 17 4.393 -4.394 -12.008 1.00 1.21 C ATOM 236 OE1 GLU A 17 4.739 -3.841 -13.064 1.00 2.00 O ATOM 237 OE2 GLU A 17 4.463 -5.626 -11.857 1.00 1.48 O ATOM 0 H GLU A 17 4.945 -3.745 -8.375 1.00 0.23 H new ATOM 0 HA GLU A 17 6.625 -3.673 -10.676 1.00 0.29 H new ATOM 0 HB2 GLU A 17 4.351 -1.911 -9.670 1.00 0.38 H new ATOM 0 HB3 GLU A 17 5.017 -1.851 -11.289 1.00 0.38 H new ATOM 0 HG2 GLU A 17 3.616 -4.209 -10.039 1.00 0.63 H new ATOM 0 HG3 GLU A 17 2.923 -3.091 -11.197 1.00 0.63 H new ATOM 244 N ILE A 18 6.656 -1.217 -8.509 1.00 0.23 N ATOM 245 CA ILE A 18 7.315 0.010 -8.150 1.00 0.25 C ATOM 246 C ILE A 18 8.531 -0.225 -7.231 1.00 0.25 C ATOM 247 O ILE A 18 9.638 0.223 -7.529 1.00 0.28 O ATOM 248 CB ILE A 18 6.310 0.955 -7.458 1.00 0.25 C ATOM 249 CG1 ILE A 18 5.135 1.234 -8.390 1.00 0.27 C ATOM 250 CG2 ILE A 18 6.991 2.259 -7.100 1.00 0.28 C ATOM 251 CD1 ILE A 18 3.961 1.877 -7.723 1.00 0.28 C ATOM 0 H ILE A 18 5.922 -1.511 -7.864 1.00 0.23 H new ATOM 0 HA ILE A 18 7.686 0.465 -9.069 1.00 0.25 H new ATOM 0 HB ILE A 18 5.945 0.478 -6.549 1.00 0.25 H new ATOM 0 HG12 ILE A 18 5.475 1.878 -9.202 1.00 0.27 H new ATOM 0 HG13 ILE A 18 4.813 0.295 -8.841 1.00 0.27 H new ATOM 0 HG21 ILE A 18 6.276 2.921 -6.612 1.00 0.28 H new ATOM 0 HG22 ILE A 18 7.823 2.061 -6.424 1.00 0.28 H new ATOM 0 HG23 ILE A 18 7.366 2.735 -8.006 1.00 0.28 H new ATOM 0 HD11 ILE A 18 3.171 2.041 -8.456 1.00 0.28 H new ATOM 0 HD12 ILE A 18 3.592 1.227 -6.930 1.00 0.28 H new ATOM 0 HD13 ILE A 18 4.264 2.833 -7.296 1.00 0.28 H new ATOM 263 N ALA A 19 8.315 -0.925 -6.133 1.00 0.23 N ATOM 264 CA ALA A 19 9.365 -1.185 -5.156 1.00 0.26 C ATOM 265 C ALA A 19 10.249 -2.315 -5.644 1.00 0.26 C ATOM 266 O ALA A 19 11.461 -2.288 -5.482 1.00 0.34 O ATOM 267 CB ALA A 19 8.734 -1.604 -3.847 1.00 0.28 C ATOM 0 H ALA A 19 7.411 -1.330 -5.890 1.00 0.23 H new ATOM 0 HA ALA A 19 9.958 -0.281 -5.020 1.00 0.26 H new ATOM 0 HB1 ALA A 19 9.515 -1.800 -3.113 1.00 0.28 H new ATOM 0 HB2 ALA A 19 8.086 -0.806 -3.484 1.00 0.28 H new ATOM 0 HB3 ALA A 19 8.145 -2.508 -4.000 1.00 0.28 H new ATOM 273 N GLY A 20 9.615 -3.316 -6.233 1.00 0.23 N ATOM 274 CA GLY A 20 10.319 -4.482 -6.717 1.00 0.26 C ATOM 275 C GLY A 20 10.345 -5.572 -5.673 1.00 0.29 C ATOM 276 O GLY A 20 11.169 -6.484 -5.721 1.00 0.46 O ATOM 0 H GLY A 20 8.607 -3.339 -6.386 1.00 0.23 H new ATOM 0 HA2 GLY A 20 9.837 -4.852 -7.622 1.00 0.26 H new ATOM 0 HA3 GLY A 20 11.339 -4.209 -6.988 1.00 0.26 H new ATOM 280 N ILE A 21 9.432 -5.486 -4.737 1.00 0.27 N ATOM 281 CA ILE A 21 9.384 -6.413 -3.629 1.00 0.30 C ATOM 282 C ILE A 21 8.377 -7.525 -3.917 1.00 0.28 C ATOM 283 O ILE A 21 7.321 -7.255 -4.494 1.00 0.28 O ATOM 284 CB ILE A 21 8.999 -5.677 -2.303 1.00 0.32 C ATOM 285 CG1 ILE A 21 9.991 -4.540 -2.008 1.00 0.37 C ATOM 286 CG2 ILE A 21 8.912 -6.638 -1.116 1.00 0.36 C ATOM 287 CD1 ILE A 21 11.438 -4.978 -1.925 1.00 0.42 C ATOM 0 H ILE A 21 8.702 -4.774 -4.720 1.00 0.27 H new ATOM 0 HA ILE A 21 10.375 -6.849 -3.507 1.00 0.30 H new ATOM 0 HB ILE A 21 8.006 -5.250 -2.446 1.00 0.32 H new ATOM 0 HG12 ILE A 21 9.898 -3.782 -2.786 1.00 0.37 H new ATOM 0 HG13 ILE A 21 9.713 -4.067 -1.066 1.00 0.37 H new ATOM 0 HG21 ILE A 21 8.642 -6.083 -0.218 1.00 0.36 H new ATOM 0 HG22 ILE A 21 8.154 -7.395 -1.316 1.00 0.36 H new ATOM 0 HG23 ILE A 21 9.878 -7.121 -0.968 1.00 0.36 H new ATOM 0 HD11 ILE A 21 12.068 -4.114 -1.714 1.00 0.42 H new ATOM 0 HD12 ILE A 21 11.551 -5.713 -1.128 1.00 0.42 H new ATOM 0 HD13 ILE A 21 11.738 -5.423 -2.873 1.00 0.42 H new ATOM 299 N PRO A 22 8.754 -8.794 -3.618 1.00 0.31 N ATOM 300 CA PRO A 22 7.896 -9.968 -3.703 1.00 0.34 C ATOM 301 C PRO A 22 6.452 -9.711 -3.324 1.00 0.30 C ATOM 302 O PRO A 22 6.147 -9.240 -2.217 1.00 0.28 O ATOM 303 CB PRO A 22 8.531 -10.942 -2.689 1.00 0.39 C ATOM 304 CG PRO A 22 9.794 -10.276 -2.224 1.00 0.41 C ATOM 305 CD PRO A 22 10.090 -9.213 -3.230 1.00 0.36 C ATOM 0 HA PRO A 22 7.846 -10.334 -4.729 1.00 0.34 H new ATOM 0 HB2 PRO A 22 7.857 -11.132 -1.853 1.00 0.39 H new ATOM 0 HB3 PRO A 22 8.744 -11.906 -3.152 1.00 0.39 H new ATOM 0 HG2 PRO A 22 9.667 -9.848 -1.230 1.00 0.41 H new ATOM 0 HG3 PRO A 22 10.613 -10.993 -2.160 1.00 0.41 H new ATOM 0 HD2 PRO A 22 10.668 -8.394 -2.802 1.00 0.36 H new ATOM 0 HD3 PRO A 22 10.660 -9.597 -4.076 1.00 0.36 H new ATOM 313 N VAL A 23 5.570 -10.081 -4.234 1.00 0.31 N ATOM 314 CA VAL A 23 4.117 -9.964 -4.071 1.00 0.29 C ATOM 315 C VAL A 23 3.670 -10.844 -2.905 1.00 0.29 C ATOM 316 O VAL A 23 2.643 -10.622 -2.271 1.00 0.42 O ATOM 317 CB VAL A 23 3.392 -10.420 -5.391 1.00 0.36 C ATOM 318 CG1 VAL A 23 1.875 -10.398 -5.278 1.00 0.69 C ATOM 319 CG2 VAL A 23 3.827 -9.560 -6.552 1.00 0.41 C ATOM 0 H VAL A 23 5.842 -10.482 -5.132 1.00 0.31 H new ATOM 0 HA VAL A 23 3.856 -8.926 -3.866 1.00 0.29 H new ATOM 0 HB VAL A 23 3.686 -11.456 -5.561 1.00 0.36 H new ATOM 0 HG11 VAL A 23 1.435 -10.723 -6.221 1.00 0.69 H new ATOM 0 HG12 VAL A 23 1.560 -11.070 -4.480 1.00 0.69 H new ATOM 0 HG13 VAL A 23 1.542 -9.385 -5.052 1.00 0.69 H new ATOM 0 HG21 VAL A 23 3.317 -9.887 -7.458 1.00 0.41 H new ATOM 0 HG22 VAL A 23 3.574 -8.519 -6.349 1.00 0.41 H new ATOM 0 HG23 VAL A 23 4.905 -9.651 -6.689 1.00 0.41 H new ATOM 329 N GLU A 24 4.510 -11.776 -2.580 1.00 0.31 N ATOM 330 CA GLU A 24 4.224 -12.730 -1.570 1.00 0.36 C ATOM 331 C GLU A 24 4.825 -12.336 -0.230 1.00 0.35 C ATOM 332 O GLU A 24 4.555 -12.966 0.791 1.00 0.48 O ATOM 333 CB GLU A 24 4.694 -14.114 -1.983 1.00 0.55 C ATOM 334 CG GLU A 24 4.036 -14.636 -3.239 1.00 1.41 C ATOM 335 CD GLU A 24 2.551 -14.758 -3.088 1.00 1.82 C ATOM 336 OE1 GLU A 24 2.079 -15.742 -2.511 1.00 2.34 O ATOM 337 OE2 GLU A 24 1.822 -13.854 -3.549 1.00 2.01 O ATOM 0 H GLU A 24 5.424 -11.892 -3.018 1.00 0.31 H new ATOM 0 HA GLU A 24 3.141 -12.754 -1.447 1.00 0.36 H new ATOM 0 HB2 GLU A 24 5.773 -14.090 -2.133 1.00 0.55 H new ATOM 0 HB3 GLU A 24 4.501 -14.811 -1.167 1.00 0.55 H new ATOM 0 HG2 GLU A 24 4.262 -13.968 -4.070 1.00 1.41 H new ATOM 0 HG3 GLU A 24 4.456 -15.610 -3.490 1.00 1.41 H new ATOM 344 N ASP A 25 5.636 -11.302 -0.217 1.00 0.30 N ATOM 345 CA ASP A 25 6.236 -10.881 1.038 1.00 0.32 C ATOM 346 C ASP A 25 5.341 -9.836 1.655 1.00 0.29 C ATOM 347 O ASP A 25 5.376 -9.574 2.846 1.00 0.32 O ATOM 348 CB ASP A 25 7.655 -10.343 0.840 1.00 0.38 C ATOM 349 CG ASP A 25 8.441 -10.332 2.133 1.00 0.46 C ATOM 350 OD1 ASP A 25 8.886 -11.392 2.611 1.00 0.69 O ATOM 351 OD2 ASP A 25 8.641 -9.230 2.693 1.00 0.53 O ATOM 0 H ASP A 25 5.893 -10.748 -1.034 1.00 0.30 H new ATOM 0 HA ASP A 25 6.326 -11.740 1.702 1.00 0.32 H new ATOM 0 HB2 ASP A 25 8.176 -10.955 0.104 1.00 0.38 H new ATOM 0 HB3 ASP A 25 7.607 -9.332 0.436 1.00 0.38 H new ATOM 356 N VAL A 26 4.498 -9.288 0.815 1.00 0.27 N ATOM 357 CA VAL A 26 3.510 -8.313 1.181 1.00 0.27 C ATOM 358 C VAL A 26 2.328 -9.019 1.865 1.00 0.29 C ATOM 359 O VAL A 26 1.416 -9.544 1.227 1.00 0.37 O ATOM 360 CB VAL A 26 3.063 -7.517 -0.075 1.00 0.29 C ATOM 361 CG1 VAL A 26 1.869 -6.640 0.221 1.00 0.40 C ATOM 362 CG2 VAL A 26 4.212 -6.649 -0.564 1.00 0.38 C ATOM 0 H VAL A 26 4.484 -9.520 -0.178 1.00 0.27 H new ATOM 0 HA VAL A 26 3.931 -7.598 1.888 1.00 0.27 H new ATOM 0 HB VAL A 26 2.778 -8.235 -0.844 1.00 0.29 H new ATOM 0 HG11 VAL A 26 1.584 -6.098 -0.680 1.00 0.40 H new ATOM 0 HG12 VAL A 26 1.035 -7.260 0.551 1.00 0.40 H new ATOM 0 HG13 VAL A 26 2.126 -5.929 1.006 1.00 0.40 H new ATOM 0 HG21 VAL A 26 3.897 -6.091 -1.446 1.00 0.38 H new ATOM 0 HG22 VAL A 26 4.502 -5.952 0.222 1.00 0.38 H new ATOM 0 HG23 VAL A 26 5.062 -7.281 -0.820 1.00 0.38 H new ATOM 372 N LYS A 27 2.483 -9.169 3.145 1.00 0.33 N ATOM 373 CA LYS A 27 1.498 -9.755 4.034 1.00 0.38 C ATOM 374 C LYS A 27 0.714 -8.609 4.655 1.00 0.43 C ATOM 375 O LYS A 27 0.330 -7.707 3.944 1.00 0.98 O ATOM 376 CB LYS A 27 2.269 -10.559 5.072 1.00 0.57 C ATOM 377 CG LYS A 27 3.156 -11.621 4.440 1.00 0.47 C ATOM 378 CD LYS A 27 4.034 -12.310 5.456 1.00 0.96 C ATOM 379 CE LYS A 27 4.919 -13.342 4.789 1.00 1.16 C ATOM 380 NZ LYS A 27 5.836 -13.998 5.744 1.00 1.67 N ATOM 0 H LYS A 27 3.332 -8.877 3.630 1.00 0.33 H new ATOM 0 HA LYS A 27 0.793 -10.417 3.532 1.00 0.38 H new ATOM 0 HB2 LYS A 27 2.883 -9.884 5.668 1.00 0.57 H new ATOM 0 HB3 LYS A 27 1.565 -11.036 5.754 1.00 0.57 H new ATOM 0 HG2 LYS A 27 2.532 -12.362 3.940 1.00 0.47 H new ATOM 0 HG3 LYS A 27 3.781 -11.161 3.675 1.00 0.47 H new ATOM 0 HD2 LYS A 27 4.651 -11.573 5.970 1.00 0.96 H new ATOM 0 HD3 LYS A 27 3.414 -12.790 6.213 1.00 0.96 H new ATOM 0 HE2 LYS A 27 4.295 -14.097 4.311 1.00 1.16 H new ATOM 0 HE3 LYS A 27 5.501 -12.863 4.001 1.00 1.16 H new ATOM 0 HZ1 LYS A 27 6.421 -14.695 5.241 1.00 1.67 H new ATOM 0 HZ2 LYS A 27 6.451 -13.283 6.182 1.00 1.67 H new ATOM 0 HZ3 LYS A 27 5.283 -14.478 6.482 1.00 1.67 H new ATOM 394 N LEU A 28 0.434 -8.646 5.945 1.00 0.37 N ATOM 395 CA LEU A 28 -0.210 -7.500 6.598 1.00 0.37 C ATOM 396 C LEU A 28 0.596 -6.944 7.759 1.00 0.41 C ATOM 397 O LEU A 28 0.352 -5.828 8.220 1.00 0.55 O ATOM 398 CB LEU A 28 -1.637 -7.767 7.042 1.00 0.51 C ATOM 399 CG LEU A 28 -2.720 -7.673 5.981 1.00 0.47 C ATOM 400 CD1 LEU A 28 -2.749 -8.872 5.073 1.00 1.08 C ATOM 401 CD2 LEU A 28 -4.051 -7.437 6.626 1.00 0.99 C ATOM 0 H LEU A 28 0.634 -9.436 6.559 1.00 0.37 H new ATOM 0 HA LEU A 28 -0.248 -6.744 5.814 1.00 0.37 H new ATOM 0 HB2 LEU A 28 -1.675 -8.766 7.477 1.00 0.51 H new ATOM 0 HB3 LEU A 28 -1.881 -7.063 7.838 1.00 0.51 H new ATOM 0 HG LEU A 28 -2.483 -6.822 5.343 1.00 0.47 H new ATOM 0 HD11 LEU A 28 -3.542 -8.750 4.335 1.00 1.08 H new ATOM 0 HD12 LEU A 28 -1.790 -8.966 4.563 1.00 1.08 H new ATOM 0 HD13 LEU A 28 -2.936 -9.770 5.662 1.00 1.08 H new ATOM 0 HD21 LEU A 28 -4.821 -7.371 5.857 1.00 0.99 H new ATOM 0 HD22 LEU A 28 -4.280 -8.263 7.300 1.00 0.99 H new ATOM 0 HD23 LEU A 28 -4.021 -6.505 7.191 1.00 0.99 H new ATOM 413 N ASP A 29 1.571 -7.695 8.191 1.00 0.41 N ATOM 414 CA ASP A 29 2.426 -7.327 9.333 1.00 0.51 C ATOM 415 C ASP A 29 3.570 -6.453 8.854 1.00 0.45 C ATOM 416 O ASP A 29 4.238 -5.766 9.627 1.00 0.63 O ATOM 417 CB ASP A 29 2.996 -8.615 9.940 1.00 0.66 C ATOM 418 CG ASP A 29 3.848 -8.399 11.168 1.00 1.43 C ATOM 419 OD1 ASP A 29 3.297 -8.428 12.287 1.00 1.81 O ATOM 420 OD2 ASP A 29 5.092 -8.261 11.029 1.00 2.11 O ATOM 0 H ASP A 29 1.813 -8.592 7.770 1.00 0.41 H new ATOM 0 HA ASP A 29 1.844 -6.779 10.074 1.00 0.51 H new ATOM 0 HB2 ASP A 29 2.170 -9.278 10.197 1.00 0.66 H new ATOM 0 HB3 ASP A 29 3.592 -9.126 9.184 1.00 0.66 H new ATOM 425 N LYS A 30 3.711 -6.429 7.562 1.00 0.31 N ATOM 426 CA LYS A 30 4.843 -5.818 6.892 1.00 0.30 C ATOM 427 C LYS A 30 4.722 -4.313 6.813 1.00 0.28 C ATOM 428 O LYS A 30 3.725 -3.778 6.329 1.00 0.35 O ATOM 429 CB LYS A 30 4.942 -6.379 5.482 1.00 0.33 C ATOM 430 CG LYS A 30 5.275 -7.852 5.414 1.00 0.37 C ATOM 431 CD LYS A 30 6.763 -8.103 5.581 1.00 0.38 C ATOM 432 CE LYS A 30 7.065 -9.586 5.543 1.00 0.48 C ATOM 433 NZ LYS A 30 8.501 -9.863 5.375 1.00 1.02 N ATOM 0 H LYS A 30 3.032 -6.840 6.921 1.00 0.31 H new ATOM 0 HA LYS A 30 5.736 -6.048 7.473 1.00 0.30 H new ATOM 0 HB2 LYS A 30 3.995 -6.210 4.970 1.00 0.33 H new ATOM 0 HB3 LYS A 30 5.703 -5.822 4.936 1.00 0.33 H new ATOM 0 HG2 LYS A 30 4.727 -8.385 6.191 1.00 0.37 H new ATOM 0 HG3 LYS A 30 4.944 -8.256 4.457 1.00 0.37 H new ATOM 0 HD2 LYS A 30 7.313 -7.595 4.789 1.00 0.38 H new ATOM 0 HD3 LYS A 30 7.104 -7.682 6.527 1.00 0.38 H new ATOM 0 HE2 LYS A 30 6.714 -10.049 6.465 1.00 0.48 H new ATOM 0 HE3 LYS A 30 6.511 -10.046 4.725 1.00 0.48 H new ATOM 0 HZ1 LYS A 30 8.660 -10.891 5.389 1.00 1.02 H new ATOM 0 HZ2 LYS A 30 8.826 -9.475 4.466 1.00 1.02 H new ATOM 0 HZ3 LYS A 30 9.033 -9.420 6.151 1.00 1.02 H new ATOM 447 N SER A 31 5.704 -3.639 7.276 1.00 0.26 N ATOM 448 CA SER A 31 5.753 -2.250 7.140 1.00 0.28 C ATOM 449 C SER A 31 6.503 -1.976 5.848 1.00 0.43 C ATOM 450 O SER A 31 7.676 -2.315 5.760 1.00 1.05 O ATOM 451 CB SER A 31 6.500 -1.680 8.330 1.00 0.28 C ATOM 452 OG SER A 31 6.071 -2.298 9.539 1.00 1.16 O ATOM 0 H SER A 31 6.501 -4.048 7.764 1.00 0.26 H new ATOM 0 HA SER A 31 4.763 -1.794 7.107 1.00 0.28 H new ATOM 0 HB2 SER A 31 7.571 -1.831 8.199 1.00 0.28 H new ATOM 0 HB3 SER A 31 6.335 -0.604 8.388 1.00 0.28 H new ATOM 0 HG SER A 31 6.488 -3.181 9.621 1.00 1.16 H new ATOM 458 N PHE A 32 5.784 -1.495 4.826 1.00 0.26 N ATOM 459 CA PHE A 32 6.337 -1.139 3.496 1.00 0.25 C ATOM 460 C PHE A 32 7.809 -0.709 3.522 1.00 0.26 C ATOM 461 O PHE A 32 8.717 -1.527 3.284 1.00 0.32 O ATOM 462 CB PHE A 32 5.513 -0.040 2.844 1.00 0.32 C ATOM 463 CG PHE A 32 4.215 -0.464 2.265 1.00 0.26 C ATOM 464 CD1 PHE A 32 4.152 -1.077 1.037 1.00 0.33 C ATOM 465 CD2 PHE A 32 3.053 -0.271 2.971 1.00 0.26 C ATOM 466 CE1 PHE A 32 2.948 -1.494 0.521 1.00 0.36 C ATOM 467 CE2 PHE A 32 1.844 -0.678 2.458 1.00 0.28 C ATOM 468 CZ PHE A 32 1.802 -1.214 1.141 1.00 0.32 C ATOM 0 H PHE A 32 4.779 -1.336 4.894 1.00 0.26 H new ATOM 0 HA PHE A 32 6.283 -2.058 2.913 1.00 0.25 H new ATOM 0 HB2 PHE A 32 5.322 0.734 3.587 1.00 0.32 H new ATOM 0 HB3 PHE A 32 6.110 0.416 2.054 1.00 0.32 H new ATOM 0 HD1 PHE A 32 5.058 -1.233 0.471 1.00 0.33 H new ATOM 0 HD2 PHE A 32 3.089 0.206 3.939 1.00 0.26 H new ATOM 0 HE1 PHE A 32 2.931 -2.057 -0.401 1.00 0.36 H new ATOM 0 HE2 PHE A 32 0.942 -0.592 3.045 1.00 0.28 H new ATOM 0 HZ PHE A 32 0.856 -1.391 0.651 1.00 0.32 H new ATOM 478 N THR A 33 8.060 0.525 3.805 1.00 0.27 N ATOM 479 CA THR A 33 9.420 0.989 3.909 1.00 0.31 C ATOM 480 C THR A 33 10.076 0.700 5.255 1.00 0.33 C ATOM 481 O THR A 33 10.310 1.607 6.049 1.00 0.47 O ATOM 482 CB THR A 33 9.530 2.450 3.549 1.00 0.37 C ATOM 483 OG1 THR A 33 8.218 3.038 3.534 1.00 0.47 O ATOM 484 CG2 THR A 33 10.158 2.570 2.198 1.00 0.39 C ATOM 0 H THR A 33 7.348 1.237 3.970 1.00 0.27 H new ATOM 0 HA THR A 33 9.982 0.406 3.180 1.00 0.31 H new ATOM 0 HB THR A 33 10.144 2.971 4.283 1.00 0.37 H new ATOM 0 HG1 THR A 33 8.288 3.988 3.302 1.00 0.47 H new ATOM 0 HG21 THR A 33 10.242 3.623 1.928 1.00 0.39 H new ATOM 0 HG22 THR A 33 11.150 2.120 2.217 1.00 0.39 H new ATOM 0 HG23 THR A 33 9.540 2.055 1.462 1.00 0.39 H new ATOM 492 N ASP A 34 10.290 -0.587 5.521 1.00 0.34 N ATOM 493 CA ASP A 34 10.995 -1.059 6.717 1.00 0.39 C ATOM 494 C ASP A 34 11.168 -2.569 6.641 1.00 0.42 C ATOM 495 O ASP A 34 12.281 -3.087 6.671 1.00 0.57 O ATOM 496 CB ASP A 34 10.243 -0.688 8.002 1.00 0.43 C ATOM 497 CG ASP A 34 11.022 -1.050 9.252 1.00 0.59 C ATOM 498 OD1 ASP A 34 11.871 -0.255 9.695 1.00 0.72 O ATOM 499 OD2 ASP A 34 10.789 -2.146 9.803 1.00 0.73 O ATOM 0 H ASP A 34 9.977 -1.340 4.909 1.00 0.34 H new ATOM 0 HA ASP A 34 11.970 -0.572 6.749 1.00 0.39 H new ATOM 0 HB2 ASP A 34 10.037 0.382 8.003 1.00 0.43 H new ATOM 0 HB3 ASP A 34 9.280 -1.198 8.017 1.00 0.43 H new ATOM 504 N ASP A 35 10.053 -3.255 6.507 1.00 0.36 N ATOM 505 CA ASP A 35 10.005 -4.719 6.416 1.00 0.43 C ATOM 506 C ASP A 35 10.201 -5.176 4.992 1.00 0.44 C ATOM 507 O ASP A 35 10.881 -6.164 4.733 1.00 0.58 O ATOM 508 CB ASP A 35 8.665 -5.271 6.938 1.00 0.48 C ATOM 509 CG ASP A 35 8.528 -5.266 8.431 1.00 0.95 C ATOM 510 OD1 ASP A 35 9.358 -5.904 9.110 1.00 1.34 O ATOM 511 OD2 ASP A 35 7.613 -4.626 8.958 1.00 1.46 O ATOM 0 H ASP A 35 9.134 -2.815 6.456 1.00 0.36 H new ATOM 0 HA ASP A 35 10.814 -5.104 7.037 1.00 0.43 H new ATOM 0 HB2 ASP A 35 7.853 -4.683 6.510 1.00 0.48 H new ATOM 0 HB3 ASP A 35 8.543 -6.293 6.578 1.00 0.48 H new ATOM 516 N LEU A 36 9.583 -4.471 4.070 1.00 0.36 N ATOM 517 CA LEU A 36 9.701 -4.801 2.659 1.00 0.39 C ATOM 518 C LEU A 36 10.954 -4.154 2.093 1.00 0.46 C ATOM 519 O LEU A 36 11.779 -4.817 1.464 1.00 0.58 O ATOM 520 CB LEU A 36 8.468 -4.307 1.893 1.00 0.35 C ATOM 521 CG LEU A 36 7.114 -4.867 2.339 1.00 0.33 C ATOM 522 CD1 LEU A 36 5.997 -4.226 1.542 1.00 0.35 C ATOM 523 CD2 LEU A 36 7.073 -6.375 2.174 1.00 0.34 C ATOM 0 H LEU A 36 8.992 -3.664 4.268 1.00 0.36 H new ATOM 0 HA LEU A 36 9.768 -5.883 2.550 1.00 0.39 H new ATOM 0 HB2 LEU A 36 8.430 -3.221 1.972 1.00 0.35 H new ATOM 0 HB3 LEU A 36 8.604 -4.545 0.838 1.00 0.35 H new ATOM 0 HG LEU A 36 6.978 -4.633 3.395 1.00 0.33 H new ATOM 0 HD11 LEU A 36 5.039 -4.631 1.867 1.00 0.35 H new ATOM 0 HD12 LEU A 36 6.008 -3.148 1.702 1.00 0.35 H new ATOM 0 HD13 LEU A 36 6.139 -4.437 0.482 1.00 0.35 H new ATOM 0 HD21 LEU A 36 6.102 -6.750 2.497 1.00 0.34 H new ATOM 0 HD22 LEU A 36 7.231 -6.631 1.126 1.00 0.34 H new ATOM 0 HD23 LEU A 36 7.857 -6.829 2.780 1.00 0.34 H new ATOM 535 N ASP A 37 11.076 -2.859 2.368 1.00 0.41 N ATOM 536 CA ASP A 37 12.176 -1.995 1.916 1.00 0.52 C ATOM 537 C ASP A 37 11.950 -1.513 0.511 1.00 0.63 C ATOM 538 O ASP A 37 12.310 -2.153 -0.471 1.00 0.85 O ATOM 539 CB ASP A 37 13.592 -2.568 2.124 1.00 0.75 C ATOM 540 CG ASP A 37 14.667 -1.642 1.591 1.00 0.91 C ATOM 541 OD1 ASP A 37 14.651 -0.438 1.922 1.00 1.02 O ATOM 542 OD2 ASP A 37 15.557 -2.106 0.861 1.00 1.14 O ATOM 0 H ASP A 37 10.389 -2.358 2.932 1.00 0.41 H new ATOM 0 HA ASP A 37 12.149 -1.132 2.582 1.00 0.52 H new ATOM 0 HB2 ASP A 37 13.759 -2.743 3.187 1.00 0.75 H new ATOM 0 HB3 ASP A 37 13.668 -3.535 1.626 1.00 0.75 H new ATOM 547 N VAL A 38 11.298 -0.393 0.433 1.00 0.56 N ATOM 548 CA VAL A 38 10.913 0.187 -0.818 1.00 0.80 C ATOM 549 C VAL A 38 11.839 1.377 -1.140 1.00 0.70 C ATOM 550 O VAL A 38 12.947 1.187 -1.639 1.00 0.96 O ATOM 551 CB VAL A 38 9.400 0.618 -0.759 1.00 1.06 C ATOM 552 CG1 VAL A 38 8.913 1.250 -2.060 1.00 0.89 C ATOM 553 CG2 VAL A 38 8.523 -0.582 -0.394 1.00 1.79 C ATOM 0 H VAL A 38 11.014 0.151 1.248 1.00 0.56 H new ATOM 0 HA VAL A 38 11.018 -0.544 -1.620 1.00 0.80 H new ATOM 0 HB VAL A 38 9.318 1.382 0.014 1.00 1.06 H new ATOM 0 HG11 VAL A 38 7.863 1.527 -1.960 1.00 0.89 H new ATOM 0 HG12 VAL A 38 9.504 2.140 -2.276 1.00 0.89 H new ATOM 0 HG13 VAL A 38 9.023 0.535 -2.875 1.00 0.89 H new ATOM 0 HG21 VAL A 38 7.479 -0.271 -0.356 1.00 1.79 H new ATOM 0 HG22 VAL A 38 8.643 -1.362 -1.146 1.00 1.79 H new ATOM 0 HG23 VAL A 38 8.822 -0.968 0.580 1.00 1.79 H new ATOM 563 N ASP A 39 11.400 2.568 -0.795 1.00 0.50 N ATOM 564 CA ASP A 39 12.082 3.829 -1.033 1.00 0.50 C ATOM 565 C ASP A 39 11.071 4.859 -0.596 1.00 0.53 C ATOM 566 O ASP A 39 9.964 4.479 -0.222 1.00 0.78 O ATOM 567 CB ASP A 39 12.334 4.031 -2.531 1.00 0.56 C ATOM 568 CG ASP A 39 13.312 5.123 -2.864 1.00 0.66 C ATOM 569 OD1 ASP A 39 12.919 6.304 -2.874 1.00 0.69 O ATOM 570 OD2 ASP A 39 14.502 4.821 -3.080 1.00 0.79 O ATOM 0 H ASP A 39 10.509 2.693 -0.314 1.00 0.50 H new ATOM 0 HA ASP A 39 13.041 3.881 -0.518 1.00 0.50 H new ATOM 0 HB2 ASP A 39 12.699 3.095 -2.953 1.00 0.56 H new ATOM 0 HB3 ASP A 39 11.384 4.252 -3.018 1.00 0.56 H new ATOM 575 N SER A 40 11.373 6.094 -0.729 1.00 0.59 N ATOM 576 CA SER A 40 10.470 7.133 -0.331 1.00 0.68 C ATOM 577 C SER A 40 9.650 7.532 -1.527 1.00 0.64 C ATOM 578 O SER A 40 8.422 7.668 -1.465 1.00 0.71 O ATOM 579 CB SER A 40 11.228 8.348 0.184 1.00 0.90 C ATOM 580 OG SER A 40 10.271 9.402 0.516 1.00 1.23 O ATOM 0 H SER A 40 12.255 6.427 -1.118 1.00 0.59 H new ATOM 0 HA SER A 40 9.833 6.763 0.472 1.00 0.68 H new ATOM 0 HB2 SER A 40 11.814 8.081 1.064 1.00 0.90 H new ATOM 0 HB3 SER A 40 11.930 8.701 -0.571 1.00 0.90 H new ATOM 0 HG SER A 40 10.752 10.188 0.850 1.00 1.23 H new ATOM 585 N LEU A 41 10.321 7.638 -2.641 1.00 0.60 N ATOM 586 CA LEU A 41 9.696 8.120 -3.835 1.00 0.64 C ATOM 587 C LEU A 41 8.874 7.024 -4.456 1.00 0.54 C ATOM 588 O LEU A 41 7.798 7.267 -4.990 1.00 0.60 O ATOM 589 CB LEU A 41 10.741 8.670 -4.798 1.00 0.75 C ATOM 590 CG LEU A 41 11.654 9.760 -4.213 1.00 0.89 C ATOM 591 CD1 LEU A 41 12.589 10.305 -5.269 1.00 1.02 C ATOM 592 CD2 LEU A 41 10.841 10.883 -3.556 1.00 1.02 C ATOM 0 H LEU A 41 11.306 7.395 -2.744 1.00 0.60 H new ATOM 0 HA LEU A 41 9.024 8.942 -3.589 1.00 0.64 H new ATOM 0 HB2 LEU A 41 11.362 7.845 -5.146 1.00 0.75 H new ATOM 0 HB3 LEU A 41 10.231 9.075 -5.672 1.00 0.75 H new ATOM 0 HG LEU A 41 12.260 9.300 -3.433 1.00 0.89 H new ATOM 0 HD11 LEU A 41 13.224 11.074 -4.830 1.00 1.02 H new ATOM 0 HD12 LEU A 41 13.211 9.498 -5.656 1.00 1.02 H new ATOM 0 HD13 LEU A 41 12.007 10.736 -6.083 1.00 1.02 H new ATOM 0 HD21 LEU A 41 11.519 11.636 -3.154 1.00 1.02 H new ATOM 0 HD22 LEU A 41 10.189 11.342 -4.299 1.00 1.02 H new ATOM 0 HD23 LEU A 41 10.237 10.470 -2.748 1.00 1.02 H new ATOM 604 N SER A 42 9.354 5.805 -4.309 1.00 0.43 N ATOM 605 CA SER A 42 8.663 4.650 -4.795 1.00 0.38 C ATOM 606 C SER A 42 7.449 4.385 -3.907 1.00 0.30 C ATOM 607 O SER A 42 6.453 3.835 -4.345 1.00 0.33 O ATOM 608 CB SER A 42 9.617 3.467 -4.761 1.00 0.39 C ATOM 609 OG SER A 42 10.828 3.788 -5.420 1.00 1.02 O ATOM 0 H SER A 42 10.239 5.598 -3.846 1.00 0.43 H new ATOM 0 HA SER A 42 8.321 4.807 -5.818 1.00 0.38 H new ATOM 0 HB2 SER A 42 9.822 3.187 -3.728 1.00 0.39 H new ATOM 0 HB3 SER A 42 9.153 2.604 -5.239 1.00 0.39 H new ATOM 0 HG SER A 42 11.432 3.017 -5.388 1.00 1.02 H new ATOM 615 N MET A 43 7.537 4.833 -2.663 1.00 0.26 N ATOM 616 CA MET A 43 6.474 4.658 -1.701 1.00 0.26 C ATOM 617 C MET A 43 5.237 5.413 -2.132 1.00 0.25 C ATOM 618 O MET A 43 4.144 4.862 -2.196 1.00 0.26 O ATOM 619 CB MET A 43 6.919 5.159 -0.338 1.00 0.35 C ATOM 620 CG MET A 43 5.887 4.952 0.730 1.00 0.48 C ATOM 621 SD MET A 43 5.264 3.260 0.724 1.00 0.55 S ATOM 622 CE MET A 43 6.800 2.380 0.814 1.00 0.52 C ATOM 0 H MET A 43 8.351 5.328 -2.298 1.00 0.26 H new ATOM 0 HA MET A 43 6.238 3.595 -1.641 1.00 0.26 H new ATOM 0 HB2 MET A 43 7.838 4.647 -0.051 1.00 0.35 H new ATOM 0 HB3 MET A 43 7.154 6.221 -0.407 1.00 0.35 H new ATOM 0 HG2 MET A 43 6.319 5.179 1.705 1.00 0.48 H new ATOM 0 HG3 MET A 43 5.060 5.646 0.579 1.00 0.48 H new ATOM 0 HE1 MET A 43 6.834 1.626 0.027 1.00 0.52 H new ATOM 0 HE2 MET A 43 7.627 3.078 0.684 1.00 0.52 H new ATOM 0 HE3 MET A 43 6.884 1.894 1.786 1.00 0.52 H new ATOM 632 N VAL A 44 5.436 6.659 -2.497 1.00 0.29 N ATOM 633 CA VAL A 44 4.357 7.529 -2.870 1.00 0.33 C ATOM 634 C VAL A 44 3.746 7.098 -4.211 1.00 0.26 C ATOM 635 O VAL A 44 2.571 7.332 -4.467 1.00 0.28 O ATOM 636 CB VAL A 44 4.806 9.013 -2.878 1.00 0.47 C ATOM 637 CG1 VAL A 44 3.627 9.949 -3.093 1.00 0.55 C ATOM 638 CG2 VAL A 44 5.522 9.344 -1.571 1.00 0.56 C ATOM 0 H VAL A 44 6.357 7.094 -2.542 1.00 0.29 H new ATOM 0 HA VAL A 44 3.574 7.443 -2.117 1.00 0.33 H new ATOM 0 HB VAL A 44 5.495 9.157 -3.710 1.00 0.47 H new ATOM 0 HG11 VAL A 44 3.977 10.981 -3.093 1.00 0.55 H new ATOM 0 HG12 VAL A 44 3.155 9.726 -4.050 1.00 0.55 H new ATOM 0 HG13 VAL A 44 2.902 9.812 -2.290 1.00 0.55 H new ATOM 0 HG21 VAL A 44 5.835 10.388 -1.582 1.00 0.56 H new ATOM 0 HG22 VAL A 44 4.845 9.177 -0.733 1.00 0.56 H new ATOM 0 HG23 VAL A 44 6.397 8.704 -1.463 1.00 0.56 H new ATOM 648 N GLU A 45 4.536 6.390 -5.018 1.00 0.24 N ATOM 649 CA GLU A 45 4.056 5.840 -6.260 1.00 0.22 C ATOM 650 C GLU A 45 3.073 4.727 -5.966 1.00 0.19 C ATOM 651 O GLU A 45 2.048 4.611 -6.622 1.00 0.21 O ATOM 652 CB GLU A 45 5.218 5.320 -7.078 1.00 0.29 C ATOM 653 CG GLU A 45 6.138 6.403 -7.582 1.00 0.47 C ATOM 654 CD GLU A 45 5.476 7.251 -8.629 1.00 1.18 C ATOM 655 OE1 GLU A 45 5.447 6.869 -9.809 1.00 1.25 O ATOM 656 OE2 GLU A 45 4.970 8.344 -8.279 1.00 2.08 O ATOM 0 H GLU A 45 5.516 6.190 -4.821 1.00 0.24 H new ATOM 0 HA GLU A 45 3.552 6.617 -6.835 1.00 0.22 H new ATOM 0 HB2 GLU A 45 5.793 4.620 -6.472 1.00 0.29 H new ATOM 0 HB3 GLU A 45 4.830 4.760 -7.929 1.00 0.29 H new ATOM 0 HG2 GLU A 45 6.451 7.032 -6.748 1.00 0.47 H new ATOM 0 HG3 GLU A 45 7.039 5.951 -7.996 1.00 0.47 H new ATOM 663 N VAL A 46 3.389 3.924 -4.941 1.00 0.20 N ATOM 664 CA VAL A 46 2.511 2.845 -4.486 1.00 0.22 C ATOM 665 C VAL A 46 1.189 3.445 -4.041 1.00 0.25 C ATOM 666 O VAL A 46 0.136 2.946 -4.396 1.00 0.31 O ATOM 667 CB VAL A 46 3.151 2.029 -3.313 1.00 0.27 C ATOM 668 CG1 VAL A 46 2.199 0.949 -2.801 1.00 0.52 C ATOM 669 CG2 VAL A 46 4.458 1.393 -3.756 1.00 0.49 C ATOM 0 H VAL A 46 4.255 4.005 -4.409 1.00 0.20 H new ATOM 0 HA VAL A 46 2.355 2.153 -5.314 1.00 0.22 H new ATOM 0 HB VAL A 46 3.349 2.726 -2.499 1.00 0.27 H new ATOM 0 HG11 VAL A 46 2.674 0.401 -1.987 1.00 0.52 H new ATOM 0 HG12 VAL A 46 1.282 1.414 -2.439 1.00 0.52 H new ATOM 0 HG13 VAL A 46 1.961 0.260 -3.611 1.00 0.52 H new ATOM 0 HG21 VAL A 46 4.888 0.830 -2.927 1.00 0.49 H new ATOM 0 HG22 VAL A 46 4.270 0.720 -4.593 1.00 0.49 H new ATOM 0 HG23 VAL A 46 5.155 2.172 -4.066 1.00 0.49 H new ATOM 679 N VAL A 47 1.276 4.533 -3.282 1.00 0.25 N ATOM 680 CA VAL A 47 0.111 5.286 -2.816 1.00 0.28 C ATOM 681 C VAL A 47 -0.767 5.673 -4.022 1.00 0.27 C ATOM 682 O VAL A 47 -1.916 5.234 -4.124 1.00 0.30 O ATOM 683 CB VAL A 47 0.575 6.575 -2.088 1.00 0.31 C ATOM 684 CG1 VAL A 47 -0.603 7.338 -1.523 1.00 0.38 C ATOM 685 CG2 VAL A 47 1.568 6.245 -0.989 1.00 0.32 C ATOM 0 H VAL A 47 2.165 4.923 -2.969 1.00 0.25 H new ATOM 0 HA VAL A 47 -0.463 4.667 -2.126 1.00 0.28 H new ATOM 0 HB VAL A 47 1.070 7.211 -2.822 1.00 0.31 H new ATOM 0 HG11 VAL A 47 -0.247 8.236 -1.019 1.00 0.38 H new ATOM 0 HG12 VAL A 47 -1.276 7.619 -2.333 1.00 0.38 H new ATOM 0 HG13 VAL A 47 -1.136 6.709 -0.810 1.00 0.38 H new ATOM 0 HG21 VAL A 47 1.880 7.164 -0.492 1.00 0.32 H new ATOM 0 HG22 VAL A 47 1.100 5.581 -0.263 1.00 0.32 H new ATOM 0 HG23 VAL A 47 2.439 5.753 -1.422 1.00 0.32 H new ATOM 695 N VAL A 48 -0.206 6.493 -4.916 1.00 0.25 N ATOM 696 CA VAL A 48 -0.882 6.912 -6.168 1.00 0.28 C ATOM 697 C VAL A 48 -1.473 5.701 -6.944 1.00 0.28 C ATOM 698 O VAL A 48 -2.657 5.710 -7.330 1.00 0.31 O ATOM 699 CB VAL A 48 0.102 7.682 -7.103 1.00 0.35 C ATOM 700 CG1 VAL A 48 -0.582 8.105 -8.395 1.00 0.56 C ATOM 701 CG2 VAL A 48 0.659 8.903 -6.403 1.00 0.58 C ATOM 0 H VAL A 48 0.727 6.889 -4.801 1.00 0.25 H new ATOM 0 HA VAL A 48 -1.700 7.570 -5.874 1.00 0.28 H new ATOM 0 HB VAL A 48 0.919 7.003 -7.347 1.00 0.35 H new ATOM 0 HG11 VAL A 48 0.129 8.639 -9.025 1.00 0.56 H new ATOM 0 HG12 VAL A 48 -0.942 7.222 -8.922 1.00 0.56 H new ATOM 0 HG13 VAL A 48 -1.424 8.758 -8.164 1.00 0.56 H new ATOM 0 HG21 VAL A 48 1.343 9.426 -7.072 1.00 0.58 H new ATOM 0 HG22 VAL A 48 -0.159 9.569 -6.127 1.00 0.58 H new ATOM 0 HG23 VAL A 48 1.195 8.595 -5.505 1.00 0.58 H new ATOM 711 N ALA A 49 -0.658 4.689 -7.186 1.00 0.29 N ATOM 712 CA ALA A 49 -1.092 3.507 -7.930 1.00 0.34 C ATOM 713 C ALA A 49 -2.198 2.734 -7.202 1.00 0.36 C ATOM 714 O ALA A 49 -3.082 2.181 -7.838 1.00 0.42 O ATOM 715 CB ALA A 49 0.083 2.599 -8.247 1.00 0.38 C ATOM 0 H ALA A 49 0.314 4.657 -6.879 1.00 0.29 H new ATOM 0 HA ALA A 49 -1.515 3.863 -8.869 1.00 0.34 H new ATOM 0 HB1 ALA A 49 -0.269 1.728 -8.800 1.00 0.38 H new ATOM 0 HB2 ALA A 49 0.811 3.142 -8.850 1.00 0.38 H new ATOM 0 HB3 ALA A 49 0.552 2.273 -7.319 1.00 0.38 H new ATOM 721 N ALA A 50 -2.161 2.721 -5.876 1.00 0.34 N ATOM 722 CA ALA A 50 -3.179 2.045 -5.078 1.00 0.37 C ATOM 723 C ALA A 50 -4.532 2.684 -5.286 1.00 0.36 C ATOM 724 O ALA A 50 -5.544 1.999 -5.336 1.00 0.38 O ATOM 725 CB ALA A 50 -2.817 2.050 -3.610 1.00 0.38 C ATOM 0 H ALA A 50 -1.432 3.174 -5.326 1.00 0.34 H new ATOM 0 HA ALA A 50 -3.227 1.008 -5.412 1.00 0.37 H new ATOM 0 HB1 ALA A 50 -3.594 1.539 -3.042 1.00 0.38 H new ATOM 0 HB2 ALA A 50 -1.867 1.536 -3.468 1.00 0.38 H new ATOM 0 HB3 ALA A 50 -2.729 3.079 -3.261 1.00 0.38 H new ATOM 731 N GLU A 51 -4.542 3.993 -5.440 1.00 0.36 N ATOM 732 CA GLU A 51 -5.761 4.725 -5.702 1.00 0.39 C ATOM 733 C GLU A 51 -6.377 4.232 -6.999 1.00 0.42 C ATOM 734 O GLU A 51 -7.550 3.912 -7.058 1.00 0.53 O ATOM 735 CB GLU A 51 -5.450 6.189 -5.842 1.00 0.37 C ATOM 736 CG GLU A 51 -4.737 6.781 -4.667 1.00 0.47 C ATOM 737 CD GLU A 51 -4.464 8.219 -4.886 1.00 0.94 C ATOM 738 OE1 GLU A 51 -3.485 8.554 -5.541 1.00 1.36 O ATOM 739 OE2 GLU A 51 -5.249 9.054 -4.426 1.00 1.11 O ATOM 0 H GLU A 51 -3.707 4.576 -5.387 1.00 0.36 H new ATOM 0 HA GLU A 51 -6.455 4.571 -4.876 1.00 0.39 H new ATOM 0 HB2 GLU A 51 -4.841 6.336 -6.734 1.00 0.37 H new ATOM 0 HB3 GLU A 51 -6.381 6.733 -5.999 1.00 0.37 H new ATOM 0 HG2 GLU A 51 -5.340 6.654 -3.768 1.00 0.47 H new ATOM 0 HG3 GLU A 51 -3.800 6.250 -4.500 1.00 0.47 H new ATOM 746 N GLU A 52 -5.539 4.127 -8.002 1.00 0.40 N ATOM 747 CA GLU A 52 -5.918 3.669 -9.330 1.00 0.48 C ATOM 748 C GLU A 52 -6.370 2.200 -9.285 1.00 0.43 C ATOM 749 O GLU A 52 -7.353 1.812 -9.916 1.00 0.55 O ATOM 750 CB GLU A 52 -4.700 3.828 -10.255 1.00 0.61 C ATOM 751 CG GLU A 52 -4.890 3.357 -11.684 1.00 0.77 C ATOM 752 CD GLU A 52 -3.626 3.507 -12.495 1.00 1.23 C ATOM 753 OE1 GLU A 52 -2.760 2.608 -12.447 1.00 2.09 O ATOM 754 OE2 GLU A 52 -3.468 4.539 -13.191 1.00 1.49 O ATOM 0 H GLU A 52 -4.550 4.362 -7.922 1.00 0.40 H new ATOM 0 HA GLU A 52 -6.753 4.260 -9.705 1.00 0.48 H new ATOM 0 HB2 GLU A 52 -4.417 4.880 -10.274 1.00 0.61 H new ATOM 0 HB3 GLU A 52 -3.864 3.281 -9.820 1.00 0.61 H new ATOM 0 HG2 GLU A 52 -5.201 2.312 -11.684 1.00 0.77 H new ATOM 0 HG3 GLU A 52 -5.692 3.928 -12.152 1.00 0.77 H new ATOM 761 N ARG A 53 -5.687 1.426 -8.476 1.00 0.34 N ATOM 762 CA ARG A 53 -5.892 -0.002 -8.377 1.00 0.34 C ATOM 763 C ARG A 53 -7.163 -0.333 -7.626 1.00 0.31 C ATOM 764 O ARG A 53 -7.853 -1.300 -7.945 1.00 0.44 O ATOM 765 CB ARG A 53 -4.674 -0.636 -7.679 1.00 0.40 C ATOM 766 CG ARG A 53 -4.756 -2.136 -7.432 1.00 0.53 C ATOM 767 CD ARG A 53 -4.935 -2.906 -8.718 1.00 0.70 C ATOM 768 NE ARG A 53 -4.994 -4.345 -8.485 1.00 1.27 N ATOM 769 CZ ARG A 53 -6.097 -5.090 -8.494 1.00 1.88 C ATOM 770 NH1 ARG A 53 -7.299 -4.530 -8.592 1.00 2.23 N ATOM 771 NH2 ARG A 53 -5.981 -6.392 -8.366 1.00 2.75 N ATOM 0 H ARG A 53 -4.958 1.777 -7.855 1.00 0.34 H new ATOM 0 HA ARG A 53 -5.997 -0.410 -9.382 1.00 0.34 H new ATOM 0 HB2 ARG A 53 -3.788 -0.434 -8.282 1.00 0.40 H new ATOM 0 HB3 ARG A 53 -4.528 -0.137 -6.721 1.00 0.40 H new ATOM 0 HG2 ARG A 53 -3.849 -2.472 -6.930 1.00 0.53 H new ATOM 0 HG3 ARG A 53 -5.589 -2.349 -6.762 1.00 0.53 H new ATOM 0 HD2 ARG A 53 -5.850 -2.580 -9.212 1.00 0.70 H new ATOM 0 HD3 ARG A 53 -4.110 -2.681 -9.394 1.00 0.70 H new ATOM 0 HE ARG A 53 -4.112 -4.822 -8.299 1.00 1.27 H new ATOM 0 HH11 ARG A 53 -7.385 -3.516 -8.662 1.00 2.23 H new ATOM 0 HH12 ARG A 53 -8.135 -5.114 -8.598 1.00 2.23 H new ATOM 0 HH21 ARG A 53 -5.058 -6.814 -8.262 1.00 2.75 H new ATOM 0 HH22 ARG A 53 -6.814 -6.981 -8.370 1.00 2.75 H new ATOM 785 N PHE A 54 -7.466 0.457 -6.642 1.00 0.25 N ATOM 786 CA PHE A 54 -8.595 0.182 -5.801 1.00 0.31 C ATOM 787 C PHE A 54 -9.752 1.119 -6.045 1.00 0.32 C ATOM 788 O PHE A 54 -10.764 1.038 -5.343 1.00 0.36 O ATOM 789 CB PHE A 54 -8.178 0.226 -4.347 1.00 0.38 C ATOM 790 CG PHE A 54 -7.120 -0.771 -4.000 1.00 0.38 C ATOM 791 CD1 PHE A 54 -7.291 -2.107 -4.296 1.00 0.69 C ATOM 792 CD2 PHE A 54 -5.955 -0.373 -3.369 1.00 0.62 C ATOM 793 CE1 PHE A 54 -6.331 -3.026 -3.971 1.00 0.73 C ATOM 794 CE2 PHE A 54 -4.998 -1.290 -3.044 1.00 0.63 C ATOM 795 CZ PHE A 54 -5.155 -2.589 -3.381 1.00 0.46 C ATOM 0 H PHE A 54 -6.947 1.301 -6.399 1.00 0.25 H new ATOM 0 HA PHE A 54 -8.946 -0.818 -6.054 1.00 0.31 H new ATOM 0 HB2 PHE A 54 -7.815 1.226 -4.112 1.00 0.38 H new ATOM 0 HB3 PHE A 54 -9.052 0.049 -3.721 1.00 0.38 H new ATOM 0 HD1 PHE A 54 -8.194 -2.432 -4.791 1.00 0.69 H new ATOM 0 HD2 PHE A 54 -5.802 0.670 -3.132 1.00 0.62 H new ATOM 0 HE1 PHE A 54 -6.487 -4.076 -4.171 1.00 0.73 H new ATOM 0 HE2 PHE A 54 -4.111 -0.976 -2.515 1.00 0.63 H new ATOM 0 HZ PHE A 54 -4.358 -3.292 -3.189 1.00 0.46 H new ATOM 805 N ASP A 55 -9.591 2.015 -7.015 1.00 0.38 N ATOM 806 CA ASP A 55 -10.631 2.989 -7.423 1.00 0.45 C ATOM 807 C ASP A 55 -10.900 3.993 -6.283 1.00 0.50 C ATOM 808 O ASP A 55 -11.920 4.667 -6.237 1.00 0.89 O ATOM 809 CB ASP A 55 -11.924 2.241 -7.832 1.00 0.51 C ATOM 810 CG ASP A 55 -12.931 3.097 -8.557 1.00 1.10 C ATOM 811 OD1 ASP A 55 -12.642 3.575 -9.665 1.00 1.24 O ATOM 812 OD2 ASP A 55 -14.055 3.279 -8.058 1.00 2.02 O ATOM 0 H ASP A 55 -8.729 2.096 -7.554 1.00 0.38 H new ATOM 0 HA ASP A 55 -10.277 3.552 -8.286 1.00 0.45 H new ATOM 0 HB2 ASP A 55 -11.656 1.397 -8.468 1.00 0.51 H new ATOM 0 HB3 ASP A 55 -12.391 1.830 -6.937 1.00 0.51 H new ATOM 817 N VAL A 56 -9.931 4.129 -5.405 1.00 0.40 N ATOM 818 CA VAL A 56 -10.054 4.987 -4.243 1.00 0.48 C ATOM 819 C VAL A 56 -9.182 6.232 -4.376 1.00 0.67 C ATOM 820 O VAL A 56 -8.596 6.490 -5.440 1.00 1.61 O ATOM 821 CB VAL A 56 -9.698 4.249 -2.905 1.00 0.50 C ATOM 822 CG1 VAL A 56 -10.685 3.146 -2.601 1.00 1.07 C ATOM 823 CG2 VAL A 56 -8.279 3.686 -2.954 1.00 1.21 C ATOM 0 H VAL A 56 -9.034 3.648 -5.475 1.00 0.40 H new ATOM 0 HA VAL A 56 -11.103 5.280 -4.200 1.00 0.48 H new ATOM 0 HB VAL A 56 -9.755 4.985 -2.103 1.00 0.50 H new ATOM 0 HG11 VAL A 56 -10.407 2.657 -1.667 1.00 1.07 H new ATOM 0 HG12 VAL A 56 -11.685 3.569 -2.506 1.00 1.07 H new ATOM 0 HG13 VAL A 56 -10.675 2.416 -3.410 1.00 1.07 H new ATOM 0 HG21 VAL A 56 -8.056 3.179 -2.015 1.00 1.21 H new ATOM 0 HG22 VAL A 56 -8.197 2.977 -3.778 1.00 1.21 H new ATOM 0 HG23 VAL A 56 -7.570 4.500 -3.104 1.00 1.21 H new ATOM 833 N LYS A 57 -9.097 6.984 -3.298 1.00 0.51 N ATOM 834 CA LYS A 57 -8.245 8.136 -3.194 1.00 0.49 C ATOM 835 C LYS A 57 -7.504 8.055 -1.896 1.00 0.40 C ATOM 836 O LYS A 57 -8.115 7.863 -0.837 1.00 0.52 O ATOM 837 CB LYS A 57 -9.033 9.457 -3.294 1.00 0.67 C ATOM 838 CG LYS A 57 -9.582 9.751 -4.686 1.00 1.22 C ATOM 839 CD LYS A 57 -8.459 9.788 -5.720 1.00 1.26 C ATOM 840 CE LYS A 57 -7.489 10.946 -5.498 1.00 1.28 C ATOM 841 NZ LYS A 57 -6.250 10.766 -6.281 1.00 1.67 N ATOM 0 H LYS A 57 -9.635 6.800 -2.451 1.00 0.51 H new ATOM 0 HA LYS A 57 -7.547 8.135 -4.031 1.00 0.49 H new ATOM 0 HB2 LYS A 57 -9.862 9.427 -2.587 1.00 0.67 H new ATOM 0 HB3 LYS A 57 -8.384 10.278 -2.990 1.00 0.67 H new ATOM 0 HG2 LYS A 57 -10.311 8.989 -4.962 1.00 1.22 H new ATOM 0 HG3 LYS A 57 -10.107 10.706 -4.680 1.00 1.22 H new ATOM 0 HD2 LYS A 57 -7.909 8.848 -5.686 1.00 1.26 H new ATOM 0 HD3 LYS A 57 -8.892 9.868 -6.717 1.00 1.26 H new ATOM 0 HE2 LYS A 57 -7.968 11.883 -5.781 1.00 1.28 H new ATOM 0 HE3 LYS A 57 -7.244 11.020 -4.438 1.00 1.28 H new ATOM 0 HZ1 LYS A 57 -5.888 11.695 -6.576 1.00 1.67 H new ATOM 0 HZ2 LYS A 57 -5.537 10.286 -5.696 1.00 1.67 H new ATOM 0 HZ3 LYS A 57 -6.452 10.190 -7.123 1.00 1.67 H new ATOM 855 N ILE A 58 -6.206 8.140 -1.980 1.00 0.37 N ATOM 856 CA ILE A 58 -5.332 8.039 -0.836 1.00 0.33 C ATOM 857 C ILE A 58 -4.268 9.113 -0.989 1.00 0.32 C ATOM 858 O ILE A 58 -3.338 8.961 -1.781 1.00 0.35 O ATOM 859 CB ILE A 58 -4.618 6.649 -0.758 1.00 0.33 C ATOM 860 CG1 ILE A 58 -5.628 5.502 -0.888 1.00 0.39 C ATOM 861 CG2 ILE A 58 -3.862 6.522 0.571 1.00 0.38 C ATOM 862 CD1 ILE A 58 -4.996 4.138 -0.986 1.00 0.49 C ATOM 0 H ILE A 58 -5.712 8.284 -2.861 1.00 0.37 H new ATOM 0 HA ILE A 58 -5.924 8.159 0.071 1.00 0.33 H new ATOM 0 HB ILE A 58 -3.913 6.583 -1.587 1.00 0.33 H new ATOM 0 HG12 ILE A 58 -6.296 5.521 -0.027 1.00 0.39 H new ATOM 0 HG13 ILE A 58 -6.242 5.671 -1.772 1.00 0.39 H new ATOM 0 HG21 ILE A 58 -3.368 5.552 0.617 1.00 0.38 H new ATOM 0 HG22 ILE A 58 -3.115 7.313 0.642 1.00 0.38 H new ATOM 0 HG23 ILE A 58 -4.565 6.611 1.399 1.00 0.38 H new ATOM 0 HD11 ILE A 58 -5.776 3.381 -1.075 1.00 0.49 H new ATOM 0 HD12 ILE A 58 -4.350 4.099 -1.863 1.00 0.49 H new ATOM 0 HD13 ILE A 58 -4.405 3.946 -0.091 1.00 0.49 H new ATOM 874 N PRO A 59 -4.422 10.230 -0.307 1.00 0.39 N ATOM 875 CA PRO A 59 -3.474 11.326 -0.402 1.00 0.44 C ATOM 876 C PRO A 59 -2.147 11.015 0.311 1.00 0.37 C ATOM 877 O PRO A 59 -2.142 10.444 1.422 1.00 0.39 O ATOM 878 CB PRO A 59 -4.207 12.480 0.293 1.00 0.62 C ATOM 879 CG PRO A 59 -5.144 11.824 1.242 1.00 0.57 C ATOM 880 CD PRO A 59 -5.545 10.531 0.606 1.00 0.50 C ATOM 0 HA PRO A 59 -3.193 11.541 -1.433 1.00 0.44 H new ATOM 0 HB2 PRO A 59 -3.509 13.133 0.816 1.00 0.62 H new ATOM 0 HB3 PRO A 59 -4.743 13.098 -0.427 1.00 0.62 H new ATOM 0 HG2 PRO A 59 -4.665 11.652 2.206 1.00 0.57 H new ATOM 0 HG3 PRO A 59 -6.015 12.453 1.427 1.00 0.57 H new ATOM 0 HD2 PRO A 59 -5.680 9.744 1.348 1.00 0.50 H new ATOM 0 HD3 PRO A 59 -6.487 10.625 0.066 1.00 0.50 H new ATOM 888 N ASP A 60 -1.025 11.389 -0.329 1.00 0.39 N ATOM 889 CA ASP A 60 0.335 11.243 0.223 1.00 0.46 C ATOM 890 C ASP A 60 0.476 11.929 1.591 1.00 0.50 C ATOM 891 O ASP A 60 1.388 11.633 2.346 1.00 0.63 O ATOM 892 CB ASP A 60 1.411 11.786 -0.755 1.00 0.64 C ATOM 893 CG ASP A 60 1.448 13.310 -0.889 1.00 1.34 C ATOM 894 OD1 ASP A 60 0.550 13.884 -1.539 1.00 2.00 O ATOM 895 OD2 ASP A 60 2.363 13.972 -0.318 1.00 1.93 O ATOM 0 H ASP A 60 -1.037 11.808 -1.259 1.00 0.39 H new ATOM 0 HA ASP A 60 0.499 10.174 0.359 1.00 0.46 H new ATOM 0 HB2 ASP A 60 2.390 11.441 -0.423 1.00 0.64 H new ATOM 0 HB3 ASP A 60 1.238 11.353 -1.740 1.00 0.64 H new ATOM 900 N ASP A 61 -0.432 12.823 1.887 1.00 0.51 N ATOM 901 CA ASP A 61 -0.488 13.505 3.173 1.00 0.63 C ATOM 902 C ASP A 61 -0.998 12.575 4.278 1.00 0.62 C ATOM 903 O ASP A 61 -0.416 12.489 5.355 1.00 0.74 O ATOM 904 CB ASP A 61 -1.406 14.732 3.069 1.00 0.74 C ATOM 905 CG ASP A 61 -1.612 15.444 4.389 1.00 1.36 C ATOM 906 OD1 ASP A 61 -0.723 16.199 4.818 1.00 1.65 O ATOM 907 OD2 ASP A 61 -2.685 15.293 5.006 1.00 2.09 O ATOM 0 H ASP A 61 -1.167 13.108 1.239 1.00 0.51 H new ATOM 0 HA ASP A 61 0.523 13.818 3.433 1.00 0.63 H new ATOM 0 HB2 ASP A 61 -0.983 15.433 2.349 1.00 0.74 H new ATOM 0 HB3 ASP A 61 -2.374 14.420 2.678 1.00 0.74 H new ATOM 912 N ASP A 62 -2.067 11.858 3.992 1.00 0.57 N ATOM 913 CA ASP A 62 -2.718 11.014 5.001 1.00 0.65 C ATOM 914 C ASP A 62 -2.082 9.652 5.056 1.00 0.53 C ATOM 915 O ASP A 62 -1.983 9.034 6.131 1.00 0.59 O ATOM 916 CB ASP A 62 -4.206 10.890 4.695 1.00 0.80 C ATOM 917 CG ASP A 62 -5.003 10.239 5.798 1.00 0.98 C ATOM 918 OD1 ASP A 62 -4.975 9.022 5.939 1.00 1.54 O ATOM 919 OD2 ASP A 62 -5.718 10.963 6.520 1.00 1.58 O ATOM 0 H ASP A 62 -2.510 11.836 3.074 1.00 0.57 H new ATOM 0 HA ASP A 62 -2.592 11.485 5.976 1.00 0.65 H new ATOM 0 HB2 ASP A 62 -4.612 11.883 4.504 1.00 0.80 H new ATOM 0 HB3 ASP A 62 -4.332 10.313 3.779 1.00 0.80 H new ATOM 924 N VAL A 63 -1.586 9.219 3.908 1.00 0.42 N ATOM 925 CA VAL A 63 -0.974 7.906 3.722 1.00 0.39 C ATOM 926 C VAL A 63 0.182 7.669 4.706 1.00 0.44 C ATOM 927 O VAL A 63 0.533 6.534 5.018 1.00 0.50 O ATOM 928 CB VAL A 63 -0.486 7.706 2.263 1.00 0.41 C ATOM 929 CG1 VAL A 63 0.820 8.428 1.977 1.00 0.69 C ATOM 930 CG2 VAL A 63 -0.387 6.261 1.922 1.00 0.59 C ATOM 0 H VAL A 63 -1.596 9.782 3.057 1.00 0.42 H new ATOM 0 HA VAL A 63 -1.750 7.169 3.929 1.00 0.39 H new ATOM 0 HB VAL A 63 -1.240 8.158 1.618 1.00 0.41 H new ATOM 0 HG11 VAL A 63 1.113 8.253 0.942 1.00 0.69 H new ATOM 0 HG12 VAL A 63 0.688 9.498 2.141 1.00 0.69 H new ATOM 0 HG13 VAL A 63 1.597 8.052 2.643 1.00 0.69 H new ATOM 0 HG21 VAL A 63 -0.043 6.153 0.894 1.00 0.59 H new ATOM 0 HG22 VAL A 63 0.321 5.776 2.595 1.00 0.59 H new ATOM 0 HG23 VAL A 63 -1.366 5.794 2.028 1.00 0.59 H new ATOM 940 N LYS A 64 0.730 8.763 5.206 1.00 0.49 N ATOM 941 CA LYS A 64 1.838 8.750 6.125 1.00 0.63 C ATOM 942 C LYS A 64 1.509 8.013 7.439 1.00 0.64 C ATOM 943 O LYS A 64 2.399 7.597 8.163 1.00 0.85 O ATOM 944 CB LYS A 64 2.303 10.177 6.397 1.00 0.76 C ATOM 945 CG LYS A 64 2.688 10.946 5.134 1.00 0.76 C ATOM 946 CD LYS A 64 3.217 12.328 5.471 1.00 1.04 C ATOM 947 CE LYS A 64 3.556 13.127 4.219 1.00 1.55 C ATOM 948 NZ LYS A 64 4.595 12.480 3.394 1.00 2.44 N ATOM 0 H LYS A 64 0.405 9.702 4.975 1.00 0.49 H new ATOM 0 HA LYS A 64 2.649 8.192 5.656 1.00 0.63 H new ATOM 0 HB2 LYS A 64 1.509 10.717 6.913 1.00 0.76 H new ATOM 0 HB3 LYS A 64 3.160 10.149 7.071 1.00 0.76 H new ATOM 0 HG2 LYS A 64 3.445 10.389 4.583 1.00 0.76 H new ATOM 0 HG3 LYS A 64 1.820 11.036 4.481 1.00 0.76 H new ATOM 0 HD2 LYS A 64 2.473 12.869 6.056 1.00 1.04 H new ATOM 0 HD3 LYS A 64 4.107 12.234 6.094 1.00 1.04 H new ATOM 0 HE2 LYS A 64 2.654 13.259 3.622 1.00 1.55 H new ATOM 0 HE3 LYS A 64 3.895 14.122 4.508 1.00 1.55 H new ATOM 0 HZ1 LYS A 64 4.896 13.132 2.641 1.00 2.44 H new ATOM 0 HZ2 LYS A 64 5.412 12.239 3.991 1.00 2.44 H new ATOM 0 HZ3 LYS A 64 4.210 11.613 2.968 1.00 2.44 H new ATOM 962 N ASN A 65 0.226 7.829 7.712 1.00 0.51 N ATOM 963 CA ASN A 65 -0.216 7.150 8.928 1.00 0.57 C ATOM 964 C ASN A 65 -0.398 5.663 8.691 1.00 0.50 C ATOM 965 O ASN A 65 -0.650 4.908 9.637 1.00 0.66 O ATOM 966 CB ASN A 65 -1.547 7.722 9.446 1.00 0.65 C ATOM 967 CG ASN A 65 -1.483 9.181 9.833 1.00 1.37 C ATOM 968 OD1 ASN A 65 -1.161 9.523 10.971 1.00 1.93 O ATOM 969 ND2 ASN A 65 -1.813 10.050 8.905 1.00 1.94 N ATOM 0 H ASN A 65 -0.533 8.141 7.107 1.00 0.51 H new ATOM 0 HA ASN A 65 0.563 7.314 9.672 1.00 0.57 H new ATOM 0 HB2 ASN A 65 -2.309 7.594 8.677 1.00 0.65 H new ATOM 0 HB3 ASN A 65 -1.867 7.141 10.311 1.00 0.65 H new ATOM 0 HD21 ASN A 65 -1.808 11.048 9.116 1.00 1.94 H new ATOM 0 HD22 ASN A 65 -2.074 9.727 7.973 1.00 1.94 H new ATOM 976 N LEU A 66 -0.276 5.232 7.440 1.00 0.42 N ATOM 977 CA LEU A 66 -0.506 3.834 7.110 1.00 0.43 C ATOM 978 C LEU A 66 0.690 2.987 7.513 1.00 0.66 C ATOM 979 O LEU A 66 0.598 2.200 8.457 1.00 1.67 O ATOM 980 CB LEU A 66 -0.853 3.641 5.622 1.00 0.41 C ATOM 981 CG LEU A 66 -2.080 4.414 5.100 1.00 0.38 C ATOM 982 CD1 LEU A 66 -2.367 4.064 3.661 1.00 0.45 C ATOM 983 CD2 LEU A 66 -3.292 4.138 5.939 1.00 0.39 C ATOM 0 H LEU A 66 -0.022 5.823 6.648 1.00 0.42 H new ATOM 0 HA LEU A 66 -1.372 3.499 7.681 1.00 0.43 H new ATOM 0 HB2 LEU A 66 0.013 3.933 5.028 1.00 0.41 H new ATOM 0 HB3 LEU A 66 -1.017 2.578 5.444 1.00 0.41 H new ATOM 0 HG LEU A 66 -1.846 5.477 5.165 1.00 0.38 H new ATOM 0 HD11 LEU A 66 -3.237 4.623 3.317 1.00 0.45 H new ATOM 0 HD12 LEU A 66 -1.505 4.320 3.045 1.00 0.45 H new ATOM 0 HD13 LEU A 66 -2.567 2.996 3.579 1.00 0.45 H new ATOM 0 HD21 LEU A 66 -4.141 4.697 5.546 1.00 0.39 H new ATOM 0 HD22 LEU A 66 -3.517 3.072 5.914 1.00 0.39 H new ATOM 0 HD23 LEU A 66 -3.100 4.444 6.967 1.00 0.39 H new ATOM 995 N LYS A 67 1.806 3.139 6.788 1.00 0.54 N ATOM 996 CA LYS A 67 3.104 2.473 7.084 1.00 0.48 C ATOM 997 C LYS A 67 3.123 1.001 6.720 1.00 0.44 C ATOM 998 O LYS A 67 4.081 0.510 6.110 1.00 0.58 O ATOM 999 CB LYS A 67 3.507 2.629 8.548 1.00 0.60 C ATOM 1000 CG LYS A 67 3.822 4.035 8.978 1.00 0.99 C ATOM 1001 CD LYS A 67 3.937 4.098 10.480 1.00 1.79 C ATOM 1002 CE LYS A 67 2.565 4.007 11.134 1.00 2.52 C ATOM 1003 NZ LYS A 67 2.632 4.126 12.602 1.00 3.18 N ATOM 0 H LYS A 67 1.844 3.737 5.962 1.00 0.54 H new ATOM 0 HA LYS A 67 3.828 2.985 6.451 1.00 0.48 H new ATOM 0 HB2 LYS A 67 2.700 2.247 9.173 1.00 0.60 H new ATOM 0 HB3 LYS A 67 4.380 2.004 8.737 1.00 0.60 H new ATOM 0 HG2 LYS A 67 4.754 4.365 8.519 1.00 0.99 H new ATOM 0 HG3 LYS A 67 3.040 4.713 8.636 1.00 0.99 H new ATOM 0 HD2 LYS A 67 4.568 3.283 10.835 1.00 1.79 H new ATOM 0 HD3 LYS A 67 4.423 5.029 10.773 1.00 1.79 H new ATOM 0 HE2 LYS A 67 1.924 4.794 10.737 1.00 2.52 H new ATOM 0 HE3 LYS A 67 2.102 3.056 10.870 1.00 2.52 H new ATOM 0 HZ1 LYS A 67 1.674 4.058 13.000 1.00 3.18 H new ATOM 0 HZ2 LYS A 67 3.221 3.360 12.986 1.00 3.18 H new ATOM 0 HZ3 LYS A 67 3.048 5.044 12.857 1.00 3.18 H new ATOM 1017 N THR A 68 2.109 0.293 7.112 1.00 0.36 N ATOM 1018 CA THR A 68 2.066 -1.102 6.868 1.00 0.32 C ATOM 1019 C THR A 68 1.137 -1.443 5.770 1.00 0.30 C ATOM 1020 O THR A 68 0.230 -0.682 5.432 1.00 0.35 O ATOM 1021 CB THR A 68 1.688 -1.934 8.109 1.00 0.35 C ATOM 1022 OG1 THR A 68 0.435 -1.509 8.645 1.00 0.51 O ATOM 1023 CG2 THR A 68 2.753 -1.846 9.148 1.00 0.34 C ATOM 0 H THR A 68 1.299 0.668 7.605 1.00 0.36 H new ATOM 0 HA THR A 68 3.086 -1.361 6.584 1.00 0.32 H new ATOM 0 HB THR A 68 1.593 -2.975 7.799 1.00 0.35 H new ATOM 0 HG1 THR A 68 0.214 -2.052 9.431 1.00 0.51 H new ATOM 0 HG21 THR A 68 2.465 -2.441 10.015 1.00 0.34 H new ATOM 0 HG22 THR A 68 3.690 -2.227 8.742 1.00 0.34 H new ATOM 0 HG23 THR A 68 2.883 -0.806 9.448 1.00 0.34 H new ATOM 1031 N VAL A 69 1.337 -2.609 5.255 1.00 0.27 N ATOM 1032 CA VAL A 69 0.501 -3.176 4.241 1.00 0.26 C ATOM 1033 C VAL A 69 -0.903 -3.456 4.797 1.00 0.27 C ATOM 1034 O VAL A 69 -1.909 -3.351 4.086 1.00 0.34 O ATOM 1035 CB VAL A 69 1.134 -4.468 3.709 1.00 0.28 C ATOM 1036 CG1 VAL A 69 2.295 -4.165 2.793 1.00 0.29 C ATOM 1037 CG2 VAL A 69 1.647 -5.289 4.847 1.00 0.35 C ATOM 0 H VAL A 69 2.109 -3.215 5.534 1.00 0.27 H new ATOM 0 HA VAL A 69 0.407 -2.464 3.421 1.00 0.26 H new ATOM 0 HB VAL A 69 0.365 -5.010 3.158 1.00 0.28 H new ATOM 0 HG11 VAL A 69 2.725 -5.098 2.430 1.00 0.29 H new ATOM 0 HG12 VAL A 69 1.946 -3.573 1.947 1.00 0.29 H new ATOM 0 HG13 VAL A 69 3.053 -3.604 3.340 1.00 0.29 H new ATOM 0 HG21 VAL A 69 2.095 -6.205 4.462 1.00 0.35 H new ATOM 0 HG22 VAL A 69 2.398 -4.721 5.396 1.00 0.35 H new ATOM 0 HG23 VAL A 69 0.823 -5.541 5.514 1.00 0.35 H new ATOM 1047 N GLY A 70 -0.959 -3.770 6.081 1.00 0.26 N ATOM 1048 CA GLY A 70 -2.214 -4.030 6.727 1.00 0.30 C ATOM 1049 C GLY A 70 -2.976 -2.760 6.991 1.00 0.28 C ATOM 1050 O GLY A 70 -4.195 -2.702 6.782 1.00 0.30 O ATOM 0 H GLY A 70 -0.143 -3.849 6.688 1.00 0.26 H new ATOM 0 HA2 GLY A 70 -2.814 -4.692 6.103 1.00 0.30 H new ATOM 0 HA3 GLY A 70 -2.038 -4.551 7.668 1.00 0.30 H new ATOM 1054 N ASP A 71 -2.267 -1.723 7.413 1.00 0.29 N ATOM 1055 CA ASP A 71 -2.908 -0.451 7.734 1.00 0.32 C ATOM 1056 C ASP A 71 -3.324 0.249 6.453 1.00 0.27 C ATOM 1057 O ASP A 71 -4.364 0.911 6.412 1.00 0.29 O ATOM 1058 CB ASP A 71 -1.982 0.440 8.547 1.00 0.46 C ATOM 1059 CG ASP A 71 -2.694 1.583 9.228 1.00 1.01 C ATOM 1060 OD1 ASP A 71 -3.026 2.558 8.592 1.00 1.79 O ATOM 1061 OD2 ASP A 71 -2.944 1.503 10.453 1.00 1.19 O ATOM 0 H ASP A 71 -1.255 -1.734 7.541 1.00 0.29 H new ATOM 0 HA ASP A 71 -3.792 -0.652 8.339 1.00 0.32 H new ATOM 0 HB2 ASP A 71 -1.478 -0.165 9.301 1.00 0.46 H new ATOM 0 HB3 ASP A 71 -1.209 0.842 7.892 1.00 0.46 H new ATOM 1066 N ALA A 72 -2.515 0.074 5.397 1.00 0.26 N ATOM 1067 CA ALA A 72 -2.836 0.596 4.073 1.00 0.26 C ATOM 1068 C ALA A 72 -4.181 0.053 3.635 1.00 0.25 C ATOM 1069 O ALA A 72 -5.107 0.819 3.373 1.00 0.26 O ATOM 1070 CB ALA A 72 -1.755 0.231 3.069 1.00 0.29 C ATOM 0 H ALA A 72 -1.629 -0.430 5.442 1.00 0.26 H new ATOM 0 HA ALA A 72 -2.886 1.684 4.121 1.00 0.26 H new ATOM 0 HB1 ALA A 72 -2.018 0.632 2.090 1.00 0.29 H new ATOM 0 HB2 ALA A 72 -0.803 0.653 3.390 1.00 0.29 H new ATOM 0 HB3 ALA A 72 -1.668 -0.854 3.006 1.00 0.29 H new ATOM 1076 N THR A 73 -4.283 -1.273 3.589 1.00 0.25 N ATOM 1077 CA THR A 73 -5.513 -1.971 3.345 1.00 0.26 C ATOM 1078 C THR A 73 -6.664 -1.441 4.217 1.00 0.28 C ATOM 1079 O THR A 73 -7.716 -1.177 3.704 1.00 0.31 O ATOM 1080 CB THR A 73 -5.277 -3.433 3.657 1.00 0.27 C ATOM 1081 OG1 THR A 73 -4.256 -3.906 2.789 1.00 0.28 O ATOM 1082 CG2 THR A 73 -6.542 -4.239 3.473 1.00 0.28 C ATOM 0 H THR A 73 -3.485 -1.894 3.725 1.00 0.25 H new ATOM 0 HA THR A 73 -5.805 -1.822 2.305 1.00 0.26 H new ATOM 0 HB THR A 73 -4.973 -3.544 4.698 1.00 0.27 H new ATOM 0 HG1 THR A 73 -3.382 -3.781 3.213 1.00 0.28 H new ATOM 0 HG21 THR A 73 -6.343 -5.286 3.704 1.00 0.28 H new ATOM 0 HG22 THR A 73 -7.315 -3.860 4.141 1.00 0.28 H new ATOM 0 HG23 THR A 73 -6.881 -4.153 2.441 1.00 0.28 H new ATOM 1090 N LYS A 74 -6.441 -1.291 5.512 1.00 0.29 N ATOM 1091 CA LYS A 74 -7.446 -0.796 6.445 1.00 0.34 C ATOM 1092 C LYS A 74 -7.994 0.584 6.024 1.00 0.31 C ATOM 1093 O LYS A 74 -9.182 0.856 6.171 1.00 0.37 O ATOM 1094 CB LYS A 74 -6.843 -0.778 7.855 1.00 0.41 C ATOM 1095 CG LYS A 74 -7.733 -0.224 8.953 1.00 0.58 C ATOM 1096 CD LYS A 74 -7.168 -0.567 10.327 1.00 1.60 C ATOM 1097 CE LYS A 74 -5.759 -0.011 10.558 1.00 2.24 C ATOM 1098 NZ LYS A 74 -5.702 1.467 10.549 1.00 2.93 N ATOM 0 H LYS A 74 -5.548 -1.511 5.952 1.00 0.29 H new ATOM 0 HA LYS A 74 -8.306 -1.466 6.437 1.00 0.34 H new ATOM 0 HB2 LYS A 74 -6.563 -1.797 8.122 1.00 0.41 H new ATOM 0 HB3 LYS A 74 -5.925 -0.191 7.828 1.00 0.41 H new ATOM 0 HG2 LYS A 74 -7.818 0.858 8.849 1.00 0.58 H new ATOM 0 HG3 LYS A 74 -8.738 -0.634 8.855 1.00 0.58 H new ATOM 0 HD2 LYS A 74 -7.836 -0.176 11.095 1.00 1.60 H new ATOM 0 HD3 LYS A 74 -7.147 -1.651 10.444 1.00 1.60 H new ATOM 0 HE2 LYS A 74 -5.385 -0.376 11.515 1.00 2.24 H new ATOM 0 HE3 LYS A 74 -5.093 -0.398 9.787 1.00 2.24 H new ATOM 0 HZ1 LYS A 74 -4.720 1.777 10.694 1.00 2.93 H new ATOM 0 HZ2 LYS A 74 -6.046 1.822 9.634 1.00 2.93 H new ATOM 0 HZ3 LYS A 74 -6.300 1.842 11.313 1.00 2.93 H new ATOM 1112 N TYR A 75 -7.142 1.415 5.447 1.00 0.26 N ATOM 1113 CA TYR A 75 -7.558 2.719 4.983 1.00 0.25 C ATOM 1114 C TYR A 75 -8.378 2.551 3.731 1.00 0.23 C ATOM 1115 O TYR A 75 -9.391 3.174 3.565 1.00 0.29 O ATOM 1116 CB TYR A 75 -6.344 3.594 4.686 1.00 0.29 C ATOM 1117 CG TYR A 75 -6.660 5.001 4.210 1.00 0.30 C ATOM 1118 CD1 TYR A 75 -6.889 6.023 5.117 1.00 0.41 C ATOM 1119 CD2 TYR A 75 -6.713 5.306 2.854 1.00 0.36 C ATOM 1120 CE1 TYR A 75 -7.165 7.305 4.690 1.00 0.47 C ATOM 1121 CE2 TYR A 75 -6.991 6.588 2.423 1.00 0.42 C ATOM 1122 CZ TYR A 75 -7.215 7.582 3.349 1.00 0.45 C ATOM 1123 OH TYR A 75 -7.490 8.862 2.934 1.00 0.53 O ATOM 0 H TYR A 75 -6.156 1.205 5.290 1.00 0.26 H new ATOM 0 HA TYR A 75 -8.151 3.203 5.759 1.00 0.25 H new ATOM 0 HB2 TYR A 75 -5.736 3.661 5.588 1.00 0.29 H new ATOM 0 HB3 TYR A 75 -5.737 3.099 3.928 1.00 0.29 H new ATOM 0 HD1 TYR A 75 -6.851 5.812 6.176 1.00 0.41 H new ATOM 0 HD2 TYR A 75 -6.534 4.528 2.127 1.00 0.36 H new ATOM 0 HE1 TYR A 75 -7.341 8.089 5.411 1.00 0.47 H new ATOM 0 HE2 TYR A 75 -7.032 6.810 1.367 1.00 0.42 H new ATOM 0 HH TYR A 75 -8.433 8.927 2.676 1.00 0.53 H new ATOM 1133 N ILE A 76 -7.939 1.666 2.878 1.00 0.22 N ATOM 1134 CA ILE A 76 -8.586 1.404 1.615 1.00 0.23 C ATOM 1135 C ILE A 76 -9.924 0.747 1.861 1.00 0.24 C ATOM 1136 O ILE A 76 -10.911 1.136 1.280 1.00 0.27 O ATOM 1137 CB ILE A 76 -7.680 0.522 0.734 1.00 0.22 C ATOM 1138 CG1 ILE A 76 -6.325 1.218 0.567 1.00 0.23 C ATOM 1139 CG2 ILE A 76 -8.326 0.287 -0.625 1.00 0.25 C ATOM 1140 CD1 ILE A 76 -5.253 0.372 -0.069 1.00 0.25 C ATOM 0 H ILE A 76 -7.109 1.096 3.041 1.00 0.22 H new ATOM 0 HA ILE A 76 -8.757 2.341 1.086 1.00 0.23 H new ATOM 0 HB ILE A 76 -7.538 -0.447 1.212 1.00 0.22 H new ATOM 0 HG12 ILE A 76 -6.465 2.115 -0.036 1.00 0.23 H new ATOM 0 HG13 ILE A 76 -5.977 1.544 1.547 1.00 0.23 H new ATOM 0 HG21 ILE A 76 -7.673 -0.338 -1.235 1.00 0.25 H new ATOM 0 HG22 ILE A 76 -9.285 -0.213 -0.490 1.00 0.25 H new ATOM 0 HG23 ILE A 76 -8.483 1.243 -1.124 1.00 0.25 H new ATOM 0 HD11 ILE A 76 -4.331 0.949 -0.145 1.00 0.25 H new ATOM 0 HD12 ILE A 76 -5.077 -0.513 0.542 1.00 0.25 H new ATOM 0 HD13 ILE A 76 -5.573 0.067 -1.065 1.00 0.25 H new ATOM 1152 N LEU A 77 -9.938 -0.221 2.753 1.00 0.24 N ATOM 1153 CA LEU A 77 -11.142 -0.929 3.185 1.00 0.29 C ATOM 1154 C LEU A 77 -12.201 0.062 3.665 1.00 0.34 C ATOM 1155 O LEU A 77 -13.400 -0.140 3.465 1.00 0.43 O ATOM 1156 CB LEU A 77 -10.775 -1.891 4.332 1.00 0.30 C ATOM 1157 CG LEU A 77 -11.921 -2.674 4.981 1.00 0.40 C ATOM 1158 CD1 LEU A 77 -12.570 -3.612 3.997 1.00 0.88 C ATOM 1159 CD2 LEU A 77 -11.430 -3.430 6.193 1.00 1.15 C ATOM 0 H LEU A 77 -9.092 -0.552 3.216 1.00 0.24 H new ATOM 0 HA LEU A 77 -11.548 -1.490 2.344 1.00 0.29 H new ATOM 0 HB2 LEU A 77 -10.048 -2.609 3.952 1.00 0.30 H new ATOM 0 HB3 LEU A 77 -10.276 -1.314 5.111 1.00 0.30 H new ATOM 0 HG LEU A 77 -12.675 -1.956 5.303 1.00 0.40 H new ATOM 0 HD11 LEU A 77 -13.379 -4.152 4.489 1.00 0.88 H new ATOM 0 HD12 LEU A 77 -12.971 -3.041 3.160 1.00 0.88 H new ATOM 0 HD13 LEU A 77 -11.830 -4.323 3.629 1.00 0.88 H new ATOM 0 HD21 LEU A 77 -12.259 -3.979 6.639 1.00 1.15 H new ATOM 0 HD22 LEU A 77 -10.650 -4.130 5.894 1.00 1.15 H new ATOM 0 HD23 LEU A 77 -11.027 -2.727 6.922 1.00 1.15 H new ATOM 1171 N ASP A 78 -11.741 1.129 4.258 1.00 0.32 N ATOM 1172 CA ASP A 78 -12.621 2.160 4.804 1.00 0.39 C ATOM 1173 C ASP A 78 -12.963 3.202 3.750 1.00 0.41 C ATOM 1174 O ASP A 78 -14.104 3.640 3.630 1.00 0.50 O ATOM 1175 CB ASP A 78 -11.949 2.847 6.005 1.00 0.45 C ATOM 1176 CG ASP A 78 -12.783 3.967 6.597 1.00 0.57 C ATOM 1177 OD1 ASP A 78 -13.642 3.693 7.461 1.00 0.67 O ATOM 1178 OD2 ASP A 78 -12.597 5.139 6.203 1.00 0.64 O ATOM 0 H ASP A 78 -10.747 1.321 4.383 1.00 0.32 H new ATOM 0 HA ASP A 78 -13.543 1.677 5.128 1.00 0.39 H new ATOM 0 HB2 ASP A 78 -11.751 2.103 6.777 1.00 0.45 H new ATOM 0 HB3 ASP A 78 -10.984 3.247 5.693 1.00 0.45 H new ATOM 1183 N HIS A 79 -11.973 3.561 2.972 1.00 0.37 N ATOM 1184 CA HIS A 79 -12.062 4.646 2.008 1.00 0.43 C ATOM 1185 C HIS A 79 -12.602 4.209 0.663 1.00 0.51 C ATOM 1186 O HIS A 79 -12.533 4.986 -0.293 1.00 0.91 O ATOM 1187 CB HIS A 79 -10.713 5.302 1.814 1.00 0.48 C ATOM 1188 CG HIS A 79 -10.782 6.779 1.860 1.00 0.83 C ATOM 1189 ND1 HIS A 79 -10.961 7.574 0.755 1.00 1.18 N ATOM 1190 CD2 HIS A 79 -10.677 7.605 2.904 1.00 1.15 C ATOM 1191 CE1 HIS A 79 -10.951 8.837 1.123 1.00 1.53 C ATOM 1192 NE2 HIS A 79 -10.783 8.881 2.422 1.00 1.52 N ATOM 0 H HIS A 79 -11.062 3.103 2.986 1.00 0.37 H new ATOM 0 HA HIS A 79 -12.770 5.360 2.428 1.00 0.43 H new ATOM 0 HB2 HIS A 79 -10.029 4.951 2.586 1.00 0.48 H new ATOM 0 HB3 HIS A 79 -10.298 4.992 0.855 1.00 0.48 H new ATOM 0 HD2 HIS A 79 -10.535 7.319 3.936 1.00 1.15 H new ATOM 0 HE1 HIS A 79 -11.062 9.689 0.469 1.00 1.53 H new ATOM 0 HE2 HIS A 79 -10.738 9.731 2.984 1.00 1.52 H new ATOM 1201 N GLN A 80 -13.017 2.949 0.571 1.00 0.41 N ATOM 1202 CA GLN A 80 -13.676 2.394 -0.624 1.00 0.55 C ATOM 1203 C GLN A 80 -14.662 3.398 -1.239 1.00 0.62 C ATOM 1204 O GLN A 80 -15.519 3.953 -0.528 1.00 0.89 O ATOM 1205 CB GLN A 80 -14.421 1.122 -0.244 1.00 0.87 C ATOM 1206 CG GLN A 80 -13.546 -0.051 0.128 1.00 0.64 C ATOM 1207 CD GLN A 80 -12.602 -0.459 -0.974 1.00 0.49 C ATOM 1208 OE1 GLN A 80 -12.892 -0.308 -2.156 1.00 0.57 O ATOM 1209 NE2 GLN A 80 -11.463 -0.966 -0.597 1.00 0.51 N ATOM 0 H GLN A 80 -12.908 2.272 1.326 1.00 0.41 H new ATOM 0 HA GLN A 80 -12.908 2.175 -1.366 1.00 0.55 H new ATOM 0 HB2 GLN A 80 -15.080 1.343 0.596 1.00 0.87 H new ATOM 0 HB3 GLN A 80 -15.057 0.829 -1.080 1.00 0.87 H new ATOM 0 HG2 GLN A 80 -12.969 0.202 1.017 1.00 0.64 H new ATOM 0 HG3 GLN A 80 -14.178 -0.900 0.389 1.00 0.64 H new ATOM 0 HE21 GLN A 80 -11.257 -1.076 0.396 1.00 0.51 H new ATOM 0 HE22 GLN A 80 -10.777 -1.253 -1.295 1.00 0.51 H new ATOM 1218 N ALA A 81 -14.522 3.620 -2.545 1.00 0.68 N ATOM 1219 CA ALA A 81 -15.310 4.602 -3.270 1.00 0.96 C ATOM 1220 C ALA A 81 -16.792 4.281 -3.226 1.00 1.47 C ATOM 1221 O ALA A 81 -17.216 3.289 -3.867 1.00 1.72 O ATOM 1222 CB ALA A 81 -14.828 4.713 -4.701 1.00 1.11 C ATOM 1223 OXT ALA A 81 -17.558 5.035 -2.599 1.00 2.36 O ATOM 0 H ALA A 81 -13.853 3.118 -3.129 1.00 0.68 H new ATOM 0 HA ALA A 81 -15.173 5.564 -2.777 1.00 0.96 H new ATOM 0 HB1 ALA A 81 -15.428 5.453 -5.231 1.00 1.11 H new ATOM 0 HB2 ALA A 81 -13.782 5.021 -4.710 1.00 1.11 H new ATOM 0 HB3 ALA A 81 -14.926 3.746 -5.194 1.00 1.11 H new