USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 794 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 5 SER OG : rot -133:sc= -0.229! USER MOD Set 1.2: A 71 TYR OH : rot 30:sc= 0.993 USER MOD Single : A 1 GLY N :NH3+ -114:sc= 0.089 (180deg=0) USER MOD Single : A 2 SER OG : rot -90:sc= -0.157 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= -0.839 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl -119:sc= -0.989 (180deg=-2.04!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -1.34 X(o=-1.3,f=-1) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.6 X(o=-0.6,f=-0.16) USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 37 CYS SG : rot 180:sc= -1.31 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0.0187 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -17.5! C(o=-18!,f=-33!) USER MOD Single : A 51 LYS NZ :NH3+ -153:sc= 1.32 (180deg=0.679) USER MOD Single : A 55 ASN : amide:sc= -3.95 K(o=-4,f=-5.5!) USER MOD Single : A 57 GLN : amide:sc= -0.144 X(o=-0.14,f=-0.37) USER MOD Single : A 61 MET CE :methyl -144:sc= -0.255 (180deg=-1.38) USER MOD Single : A 63 SER OG : rot -147:sc= 0.639 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -0.172 X(o=-0.17,f=-0.052) USER MOD Single : A 79 SER OG : rot -120:sc= -0.0863 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= 0.0823 X(o=0.082,f=0) USER MOD Single : A 89 ASN : amide:sc=-0.00246 K(o=-0.0025,f=-1.7!) USER MOD Single : A 94 SER OG : rot 180:sc= -0.759 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 180:sc=-0.00155 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.102 1.386 4.749 1.00 0.00 N ATOM 2 CA GLY A 1 -18.619 0.035 4.977 1.00 0.00 C ATOM 3 C GLY A 1 -17.957 -0.531 3.719 1.00 0.00 C ATOM 4 O GLY A 1 -18.077 0.044 2.638 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.562 2.052 5.338 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.981 1.633 3.746 1.00 0.00 H new ATOM 0 H3 GLY A 1 -20.110 1.441 5.000 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.904 0.035 5.800 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.449 -0.606 5.275 1.00 0.00 H new ATOM 8 N SER A 2 -17.274 -1.651 3.901 1.00 0.00 N ATOM 9 CA SER A 2 -16.593 -2.301 2.794 1.00 0.00 C ATOM 10 C SER A 2 -16.176 -3.717 3.196 1.00 0.00 C ATOM 11 O SER A 2 -16.542 -4.687 2.534 1.00 0.00 O ATOM 12 CB SER A 2 -15.372 -1.494 2.349 1.00 0.00 C ATOM 13 OG SER A 2 -15.265 -1.427 0.929 1.00 0.00 O ATOM 0 H SER A 2 -17.177 -2.125 4.799 1.00 0.00 H new ATOM 0 HA SER A 2 -17.284 -2.358 1.953 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.437 -0.485 2.756 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.469 -1.946 2.760 1.00 0.00 H new ATOM 0 HG SER A 2 -14.729 -2.181 0.605 1.00 0.00 H new ATOM 19 N SER A 3 -15.415 -3.792 4.278 1.00 0.00 N ATOM 20 CA SER A 3 -14.944 -5.073 4.775 1.00 0.00 C ATOM 21 C SER A 3 -14.173 -4.876 6.082 1.00 0.00 C ATOM 22 O SER A 3 -13.838 -3.750 6.445 1.00 0.00 O ATOM 23 CB SER A 3 -14.063 -5.776 3.740 1.00 0.00 C ATOM 24 OG SER A 3 -14.529 -7.090 3.447 1.00 0.00 O ATOM 0 H SER A 3 -15.113 -2.986 4.825 1.00 0.00 H new ATOM 0 HA SER A 3 -15.811 -5.706 4.964 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.040 -5.187 2.823 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.039 -5.829 4.111 1.00 0.00 H new ATOM 0 HG SER A 3 -13.941 -7.505 2.781 1.00 0.00 H new ATOM 30 N GLY A 4 -13.913 -5.989 6.752 1.00 0.00 N ATOM 31 CA GLY A 4 -13.187 -5.953 8.010 1.00 0.00 C ATOM 32 C GLY A 4 -11.717 -5.596 7.785 1.00 0.00 C ATOM 33 O GLY A 4 -11.019 -6.270 7.028 1.00 0.00 O ATOM 0 H GLY A 4 -14.192 -6.922 6.447 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.644 -5.222 8.677 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.258 -6.923 8.503 1.00 0.00 H new ATOM 37 N SER A 5 -11.288 -4.536 8.456 1.00 0.00 N ATOM 38 CA SER A 5 -9.913 -4.082 8.339 1.00 0.00 C ATOM 39 C SER A 5 -9.777 -2.673 8.920 1.00 0.00 C ATOM 40 O SER A 5 -8.817 -2.382 9.633 1.00 0.00 O ATOM 41 CB SER A 5 -9.449 -4.102 6.881 1.00 0.00 C ATOM 42 OG SER A 5 -10.544 -4.032 5.971 1.00 0.00 O ATOM 0 H SER A 5 -11.869 -3.979 9.082 1.00 0.00 H new ATOM 0 HA SER A 5 -9.278 -4.764 8.904 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.776 -3.263 6.703 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.880 -5.013 6.694 1.00 0.00 H new ATOM 0 HG SER A 5 -10.433 -4.711 5.273 1.00 0.00 H new ATOM 48 N SER A 6 -10.750 -1.836 8.594 1.00 0.00 N ATOM 49 CA SER A 6 -10.750 -0.465 9.075 1.00 0.00 C ATOM 50 C SER A 6 -9.408 0.200 8.762 1.00 0.00 C ATOM 51 O SER A 6 -8.636 0.504 9.670 1.00 0.00 O ATOM 52 CB SER A 6 -11.034 -0.408 10.578 1.00 0.00 C ATOM 53 OG SER A 6 -12.380 -0.031 10.853 1.00 0.00 O ATOM 0 H SER A 6 -11.544 -2.081 8.002 1.00 0.00 H new ATOM 0 HA SER A 6 -11.545 0.077 8.562 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.833 -1.383 11.022 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.355 0.303 11.049 1.00 0.00 H new ATOM 0 HG SER A 6 -12.522 -0.008 11.822 1.00 0.00 H new ATOM 59 N GLY A 7 -9.172 0.405 7.475 1.00 0.00 N ATOM 60 CA GLY A 7 -7.936 1.028 7.031 1.00 0.00 C ATOM 61 C GLY A 7 -7.472 0.437 5.699 1.00 0.00 C ATOM 62 O GLY A 7 -7.524 1.105 4.667 1.00 0.00 O ATOM 0 H GLY A 7 -9.815 0.151 6.725 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.084 2.103 6.924 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.162 0.886 7.785 1.00 0.00 H new ATOM 66 N LEU A 8 -7.028 -0.810 5.764 1.00 0.00 N ATOM 67 CA LEU A 8 -6.555 -1.499 4.575 1.00 0.00 C ATOM 68 C LEU A 8 -7.636 -1.443 3.494 1.00 0.00 C ATOM 69 O LEU A 8 -7.354 -1.105 2.345 1.00 0.00 O ATOM 70 CB LEU A 8 -6.106 -2.920 4.922 1.00 0.00 C ATOM 71 CG LEU A 8 -4.894 -3.032 5.850 1.00 0.00 C ATOM 72 CD1 LEU A 8 -4.851 -4.401 6.532 1.00 0.00 C ATOM 73 CD2 LEU A 8 -3.598 -2.724 5.099 1.00 0.00 C ATOM 0 H LEU A 8 -6.986 -1.361 6.621 1.00 0.00 H new ATOM 0 HA LEU A 8 -5.674 -1.000 4.171 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.943 -3.441 5.386 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -5.878 -3.445 3.994 1.00 0.00 H new ATOM 0 HG LEU A 8 -4.995 -2.284 6.636 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.980 -4.455 7.186 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -5.757 -4.542 7.122 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.785 -5.183 5.775 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.753 -2.811 5.782 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.476 -3.431 4.279 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.640 -1.710 4.701 1.00 0.00 H new ATOM 85 N GLY A 9 -8.852 -1.780 3.900 1.00 0.00 N ATOM 86 CA GLY A 9 -9.977 -1.772 2.980 1.00 0.00 C ATOM 87 C GLY A 9 -9.853 -0.628 1.972 1.00 0.00 C ATOM 88 O GLY A 9 -9.460 -0.844 0.827 1.00 0.00 O ATOM 0 H GLY A 9 -9.082 -2.060 4.853 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -10.025 -2.724 2.451 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.907 -1.670 3.539 1.00 0.00 H new ATOM 92 N ALA A 10 -10.196 0.566 2.435 1.00 0.00 N ATOM 93 CA ALA A 10 -10.128 1.745 1.588 1.00 0.00 C ATOM 94 C ALA A 10 -8.849 1.693 0.751 1.00 0.00 C ATOM 95 O ALA A 10 -8.878 1.954 -0.451 1.00 0.00 O ATOM 96 CB ALA A 10 -10.206 3.002 2.456 1.00 0.00 C ATOM 0 H ALA A 10 -10.522 0.742 3.385 1.00 0.00 H new ATOM 0 HA ALA A 10 -10.972 1.772 0.899 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -10.155 3.886 1.821 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -11.146 3.005 3.008 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -9.373 3.011 3.159 1.00 0.00 H new ATOM 102 N LEU A 11 -7.756 1.354 1.419 1.00 0.00 N ATOM 103 CA LEU A 11 -6.468 1.265 0.751 1.00 0.00 C ATOM 104 C LEU A 11 -6.565 0.265 -0.403 1.00 0.00 C ATOM 105 O LEU A 11 -6.218 0.587 -1.539 1.00 0.00 O ATOM 106 CB LEU A 11 -5.364 0.935 1.758 1.00 0.00 C ATOM 107 CG LEU A 11 -4.204 0.090 1.229 1.00 0.00 C ATOM 108 CD1 LEU A 11 -4.525 -1.403 1.326 1.00 0.00 C ATOM 109 CD2 LEU A 11 -3.829 0.504 -0.195 1.00 0.00 C ATOM 0 H LEU A 11 -7.736 1.138 2.416 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.196 2.228 0.318 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -4.959 1.871 2.143 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.814 0.411 2.601 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.333 0.274 1.858 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.684 -1.982 0.943 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.705 -1.670 2.367 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.415 -1.623 0.736 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.002 -0.112 -0.547 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.688 0.368 -0.852 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.529 1.552 -0.202 1.00 0.00 H new ATOM 121 N TYR A 12 -7.040 -0.927 -0.074 1.00 0.00 N ATOM 122 CA TYR A 12 -7.187 -1.975 -1.069 1.00 0.00 C ATOM 123 C TYR A 12 -8.049 -1.501 -2.241 1.00 0.00 C ATOM 124 O TYR A 12 -7.691 -1.704 -3.401 1.00 0.00 O ATOM 125 CB TYR A 12 -7.899 -3.130 -0.363 1.00 0.00 C ATOM 126 CG TYR A 12 -8.414 -4.216 -1.310 1.00 0.00 C ATOM 127 CD1 TYR A 12 -7.531 -4.899 -2.121 1.00 0.00 C ATOM 128 CD2 TYR A 12 -9.761 -4.512 -1.352 1.00 0.00 C ATOM 129 CE1 TYR A 12 -8.016 -5.921 -3.012 1.00 0.00 C ATOM 130 CE2 TYR A 12 -10.246 -5.534 -2.244 1.00 0.00 C ATOM 131 CZ TYR A 12 -9.349 -6.188 -3.030 1.00 0.00 C ATOM 132 OH TYR A 12 -9.807 -7.154 -3.871 1.00 0.00 O ATOM 0 H TYR A 12 -7.328 -1.190 0.868 1.00 0.00 H new ATOM 0 HA TYR A 12 -6.215 -2.264 -1.468 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -7.213 -3.582 0.353 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -8.738 -2.732 0.207 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -6.477 -4.667 -2.088 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -10.452 -3.978 -0.716 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -7.336 -6.463 -3.652 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -11.298 -5.775 -2.288 1.00 0.00 H new ATOM 0 HH TYR A 12 -10.779 -7.237 -3.776 1.00 0.00 H new ATOM 142 N LEU A 13 -9.167 -0.879 -1.898 1.00 0.00 N ATOM 143 CA LEU A 13 -10.082 -0.374 -2.908 1.00 0.00 C ATOM 144 C LEU A 13 -9.294 0.413 -3.957 1.00 0.00 C ATOM 145 O LEU A 13 -9.586 0.330 -5.149 1.00 0.00 O ATOM 146 CB LEU A 13 -11.210 0.429 -2.256 1.00 0.00 C ATOM 147 CG LEU A 13 -12.315 -0.390 -1.585 1.00 0.00 C ATOM 148 CD1 LEU A 13 -11.836 -0.971 -0.253 1.00 0.00 C ATOM 149 CD2 LEU A 13 -13.590 0.440 -1.423 1.00 0.00 C ATOM 0 H LEU A 13 -9.460 -0.713 -0.935 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.568 -1.200 -3.428 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -10.773 1.092 -1.510 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -11.666 1.062 -3.017 1.00 0.00 H new ATOM 0 HG LEU A 13 -12.558 -1.232 -2.234 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -12.641 -1.548 0.203 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -10.977 -1.620 -0.427 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -11.548 -0.160 0.415 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -14.360 -0.165 -0.944 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -13.379 1.314 -0.807 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -13.941 0.763 -2.403 1.00 0.00 H new ATOM 161 N SER A 14 -8.311 1.159 -3.475 1.00 0.00 N ATOM 162 CA SER A 14 -7.479 1.960 -4.357 1.00 0.00 C ATOM 163 C SER A 14 -6.651 1.050 -5.265 1.00 0.00 C ATOM 164 O SER A 14 -6.676 1.196 -6.486 1.00 0.00 O ATOM 165 CB SER A 14 -6.562 2.887 -3.556 1.00 0.00 C ATOM 166 OG SER A 14 -6.761 4.257 -3.894 1.00 0.00 O ATOM 0 H SER A 14 -8.072 1.226 -2.486 1.00 0.00 H new ATOM 0 HA SER A 14 -8.131 2.580 -4.972 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.745 2.746 -2.491 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.522 2.616 -3.739 1.00 0.00 H new ATOM 0 HG SER A 14 -6.159 4.816 -3.360 1.00 0.00 H new ATOM 172 N MET A 15 -5.936 0.129 -4.635 1.00 0.00 N ATOM 173 CA MET A 15 -5.102 -0.805 -5.371 1.00 0.00 C ATOM 174 C MET A 15 -5.846 -1.363 -6.586 1.00 0.00 C ATOM 175 O MET A 15 -5.223 -1.776 -7.564 1.00 0.00 O ATOM 176 CB MET A 15 -4.690 -1.956 -4.452 1.00 0.00 C ATOM 177 CG MET A 15 -3.701 -1.480 -3.386 1.00 0.00 C ATOM 178 SD MET A 15 -3.496 -2.738 -2.137 1.00 0.00 S ATOM 179 CE MET A 15 -1.797 -3.199 -2.437 1.00 0.00 C ATOM 0 H MET A 15 -5.917 0.010 -3.622 1.00 0.00 H new ATOM 0 HA MET A 15 -4.217 -0.274 -5.722 1.00 0.00 H new ATOM 0 HB2 MET A 15 -5.573 -2.376 -3.972 1.00 0.00 H new ATOM 0 HB3 MET A 15 -4.238 -2.753 -5.042 1.00 0.00 H new ATOM 0 HG2 MET A 15 -2.739 -1.253 -3.846 1.00 0.00 H new ATOM 0 HG3 MET A 15 -4.062 -0.558 -2.930 1.00 0.00 H new ATOM 0 HE1 MET A 15 -1.749 -4.252 -2.714 1.00 0.00 H new ATOM 0 HE2 MET A 15 -1.393 -2.592 -3.247 1.00 0.00 H new ATOM 0 HE3 MET A 15 -1.210 -3.035 -1.533 1.00 0.00 H new ATOM 189 N LYS A 16 -7.167 -1.359 -6.486 1.00 0.00 N ATOM 190 CA LYS A 16 -8.001 -1.859 -7.564 1.00 0.00 C ATOM 191 C LYS A 16 -7.863 -0.940 -8.780 1.00 0.00 C ATOM 192 O LYS A 16 -7.665 -1.410 -9.899 1.00 0.00 O ATOM 193 CB LYS A 16 -9.444 -2.035 -7.088 1.00 0.00 C ATOM 194 CG LYS A 16 -9.508 -2.935 -5.852 1.00 0.00 C ATOM 195 CD LYS A 16 -10.639 -3.958 -5.977 1.00 0.00 C ATOM 196 CE LYS A 16 -11.973 -3.359 -5.525 1.00 0.00 C ATOM 197 NZ LYS A 16 -12.796 -2.984 -6.697 1.00 0.00 N ATOM 0 H LYS A 16 -7.680 -1.017 -5.674 1.00 0.00 H new ATOM 0 HA LYS A 16 -7.668 -2.850 -7.873 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -9.875 -1.061 -6.856 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -10.045 -2.467 -7.888 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -8.557 -3.452 -5.725 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -9.661 -2.325 -4.961 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -10.719 -4.293 -7.011 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -10.408 -4.836 -5.374 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -12.512 -4.079 -4.910 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -11.793 -2.482 -4.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -13.698 -2.579 -6.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -12.286 -2.280 -7.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -12.983 -3.829 -7.274 1.00 0.00 H new ATOM 211 N ASP A 17 -7.972 0.354 -8.518 1.00 0.00 N ATOM 212 CA ASP A 17 -7.861 1.344 -9.576 1.00 0.00 C ATOM 213 C ASP A 17 -6.589 1.080 -10.384 1.00 0.00 C ATOM 214 O ASP A 17 -5.482 1.183 -9.857 1.00 0.00 O ATOM 215 CB ASP A 17 -7.771 2.758 -9.001 1.00 0.00 C ATOM 216 CG ASP A 17 -8.405 3.850 -9.865 1.00 0.00 C ATOM 217 OD1 ASP A 17 -7.975 3.970 -11.033 1.00 0.00 O ATOM 218 OD2 ASP A 17 -9.304 4.540 -9.339 1.00 0.00 O ATOM 0 H ASP A 17 -8.136 0.740 -7.588 1.00 0.00 H new ATOM 0 HA ASP A 17 -8.749 1.267 -10.204 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -8.250 2.767 -8.022 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -6.721 3.004 -8.844 1.00 0.00 H new ATOM 223 N PRO A 18 -6.794 0.736 -11.684 1.00 0.00 N ATOM 224 CA PRO A 18 -5.676 0.457 -12.569 1.00 0.00 C ATOM 225 C PRO A 18 -4.971 1.749 -12.987 1.00 0.00 C ATOM 226 O PRO A 18 -3.971 1.711 -13.702 1.00 0.00 O ATOM 227 CB PRO A 18 -6.283 -0.295 -13.743 1.00 0.00 C ATOM 228 CG PRO A 18 -7.774 -0.003 -13.699 1.00 0.00 C ATOM 229 CD PRO A 18 -8.090 0.604 -12.342 1.00 0.00 C ATOM 0 HA PRO A 18 -4.899 -0.138 -12.090 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -5.848 0.036 -14.686 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -6.092 -1.365 -13.662 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -8.052 0.684 -14.498 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -8.347 -0.918 -13.851 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -8.582 1.571 -12.446 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -8.762 -0.035 -11.769 1.00 0.00 H new ATOM 237 N GLU A 19 -5.520 2.862 -12.522 1.00 0.00 N ATOM 238 CA GLU A 19 -4.957 4.163 -12.838 1.00 0.00 C ATOM 239 C GLU A 19 -4.485 4.861 -11.561 1.00 0.00 C ATOM 240 O GLU A 19 -3.328 5.267 -11.462 1.00 0.00 O ATOM 241 CB GLU A 19 -5.965 5.028 -13.596 1.00 0.00 C ATOM 242 CG GLU A 19 -5.819 4.845 -15.107 1.00 0.00 C ATOM 243 CD GLU A 19 -6.257 6.104 -15.858 1.00 0.00 C ATOM 244 OE1 GLU A 19 -5.594 7.144 -15.656 1.00 0.00 O ATOM 245 OE2 GLU A 19 -7.245 5.998 -16.616 1.00 0.00 O ATOM 0 H GLU A 19 -6.349 2.889 -11.929 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.095 4.016 -13.488 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -6.978 4.764 -13.291 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.817 6.076 -13.337 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.782 4.615 -15.350 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -6.419 3.996 -15.433 1.00 0.00 H new ATOM 252 N LYS A 20 -5.405 4.980 -10.615 1.00 0.00 N ATOM 253 CA LYS A 20 -5.098 5.622 -9.348 1.00 0.00 C ATOM 254 C LYS A 20 -4.695 4.558 -8.326 1.00 0.00 C ATOM 255 O LYS A 20 -4.612 4.839 -7.132 1.00 0.00 O ATOM 256 CB LYS A 20 -6.267 6.499 -8.895 1.00 0.00 C ATOM 257 CG LYS A 20 -6.406 7.733 -9.789 1.00 0.00 C ATOM 258 CD LYS A 20 -6.888 8.942 -8.984 1.00 0.00 C ATOM 259 CE LYS A 20 -7.266 10.100 -9.909 1.00 0.00 C ATOM 260 NZ LYS A 20 -8.737 10.199 -10.041 1.00 0.00 N ATOM 0 H LYS A 20 -6.364 4.643 -10.701 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.248 6.296 -9.458 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.191 5.921 -8.921 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.114 6.810 -7.862 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.446 7.960 -10.253 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -7.109 7.525 -10.596 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -7.749 8.660 -8.378 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.105 9.262 -8.297 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -6.867 11.034 -9.514 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.816 9.951 -10.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.976 10.990 -10.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -9.110 9.314 -10.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -9.159 10.363 -9.105 1.00 0.00 H new ATOM 274 N GLY A 21 -4.455 3.357 -8.833 1.00 0.00 N ATOM 275 CA GLY A 21 -4.062 2.249 -7.979 1.00 0.00 C ATOM 276 C GLY A 21 -2.984 1.395 -8.649 1.00 0.00 C ATOM 277 O GLY A 21 -2.254 1.877 -9.514 1.00 0.00 O ATOM 0 H GLY A 21 -4.525 3.127 -9.824 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -3.689 2.632 -7.029 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -4.932 1.632 -7.754 1.00 0.00 H new ATOM 281 N ILE A 22 -2.919 0.142 -8.225 1.00 0.00 N ATOM 282 CA ILE A 22 -1.942 -0.784 -8.773 1.00 0.00 C ATOM 283 C ILE A 22 -2.301 -1.094 -10.228 1.00 0.00 C ATOM 284 O ILE A 22 -3.452 -0.942 -10.633 1.00 0.00 O ATOM 285 CB ILE A 22 -1.828 -2.028 -7.890 1.00 0.00 C ATOM 286 CG1 ILE A 22 -0.451 -2.105 -7.227 1.00 0.00 C ATOM 287 CG2 ILE A 22 -2.154 -3.295 -8.682 1.00 0.00 C ATOM 288 CD1 ILE A 22 -0.411 -3.214 -6.174 1.00 0.00 C ATOM 0 H ILE A 22 -3.527 -0.254 -7.508 1.00 0.00 H new ATOM 0 HA ILE A 22 -0.950 -0.333 -8.777 1.00 0.00 H new ATOM 0 HB ILE A 22 -2.566 -1.949 -7.092 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.311 -2.290 -7.984 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.213 -1.148 -6.762 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.065 -4.164 -8.030 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -3.172 -3.232 -9.066 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -1.457 -3.393 -9.515 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.579 -3.247 -5.718 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.158 -3.013 -5.406 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -0.625 -4.173 -6.647 1.00 0.00 H new ATOM 300 N LYS A 23 -1.293 -1.522 -10.974 1.00 0.00 N ATOM 301 CA LYS A 23 -1.487 -1.855 -12.375 1.00 0.00 C ATOM 302 C LYS A 23 -1.935 -3.313 -12.491 1.00 0.00 C ATOM 303 O LYS A 23 -2.058 -4.011 -11.485 1.00 0.00 O ATOM 304 CB LYS A 23 -0.229 -1.532 -13.182 1.00 0.00 C ATOM 305 CG LYS A 23 -0.292 -0.113 -13.752 1.00 0.00 C ATOM 306 CD LYS A 23 0.169 -0.087 -15.211 1.00 0.00 C ATOM 307 CE LYS A 23 1.345 0.874 -15.398 1.00 0.00 C ATOM 308 NZ LYS A 23 1.512 1.216 -16.828 1.00 0.00 N ATOM 0 H LYS A 23 -0.339 -1.646 -10.634 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.279 -1.243 -12.806 1.00 0.00 H new ATOM 0 HB2 LYS A 23 0.651 -1.634 -12.547 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -0.120 -2.250 -13.995 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.312 0.266 -13.682 1.00 0.00 H new ATOM 0 HG3 LYS A 23 0.336 0.550 -13.157 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.462 -1.090 -15.521 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -0.659 0.216 -15.852 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.177 1.781 -14.818 1.00 0.00 H new ATOM 0 HE3 LYS A 23 2.259 0.418 -15.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 2.314 1.869 -16.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 1.694 0.349 -17.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 0.645 1.671 -17.180 1.00 0.00 H new ATOM 322 N GLU A 24 -2.165 -3.732 -13.727 1.00 0.00 N ATOM 323 CA GLU A 24 -2.596 -5.095 -13.988 1.00 0.00 C ATOM 324 C GLU A 24 -2.030 -5.585 -15.322 1.00 0.00 C ATOM 325 O GLU A 24 -2.518 -5.204 -16.385 1.00 0.00 O ATOM 326 CB GLU A 24 -4.123 -5.200 -13.969 1.00 0.00 C ATOM 327 CG GLU A 24 -4.684 -4.785 -12.607 1.00 0.00 C ATOM 328 CD GLU A 24 -6.142 -5.224 -12.458 1.00 0.00 C ATOM 329 OE1 GLU A 24 -6.973 -4.704 -13.234 1.00 0.00 O ATOM 330 OE2 GLU A 24 -6.393 -6.069 -11.572 1.00 0.00 O ATOM 0 H GLU A 24 -2.061 -3.151 -14.559 1.00 0.00 H new ATOM 0 HA GLU A 24 -2.210 -5.735 -13.195 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.544 -4.565 -14.749 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.424 -6.223 -14.194 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.084 -5.228 -11.812 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -4.613 -3.703 -12.495 1.00 0.00 H new ATOM 337 N LEU A 25 -1.007 -6.421 -15.222 1.00 0.00 N ATOM 338 CA LEU A 25 -0.369 -6.967 -16.408 1.00 0.00 C ATOM 339 C LEU A 25 -0.496 -8.491 -16.395 1.00 0.00 C ATOM 340 O LEU A 25 -0.810 -9.083 -15.363 1.00 0.00 O ATOM 341 CB LEU A 25 1.075 -6.472 -16.515 1.00 0.00 C ATOM 342 CG LEU A 25 1.318 -5.018 -16.104 1.00 0.00 C ATOM 343 CD1 LEU A 25 2.439 -4.922 -15.067 1.00 0.00 C ATOM 344 CD2 LEU A 25 1.592 -4.141 -17.327 1.00 0.00 C ATOM 0 H LEU A 25 -0.604 -6.733 -14.339 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.872 -6.613 -17.308 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.705 -7.113 -15.898 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.406 -6.597 -17.546 1.00 0.00 H new ATOM 0 HG LEU A 25 0.411 -4.640 -15.634 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.592 -3.878 -14.792 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.165 -5.495 -14.181 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.360 -5.325 -15.489 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.761 -3.113 -17.007 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.476 -4.509 -17.848 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.734 -4.175 -17.999 1.00 0.00 H new ATOM 356 N ASN A 26 -0.247 -9.084 -17.553 1.00 0.00 N ATOM 357 CA ASN A 26 -0.330 -10.529 -17.688 1.00 0.00 C ATOM 358 C ASN A 26 1.080 -11.122 -17.656 1.00 0.00 C ATOM 359 O ASN A 26 1.894 -10.842 -18.534 1.00 0.00 O ATOM 360 CB ASN A 26 -0.979 -10.922 -19.016 1.00 0.00 C ATOM 361 CG ASN A 26 -0.333 -10.174 -20.184 1.00 0.00 C ATOM 362 OD1 ASN A 26 0.570 -10.662 -20.845 1.00 0.00 O ATOM 363 ND2 ASN A 26 -0.843 -8.965 -20.402 1.00 0.00 N ATOM 0 H ASN A 26 0.012 -8.590 -18.407 1.00 0.00 H new ATOM 0 HA ASN A 26 -0.935 -10.910 -16.865 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -0.881 -11.997 -19.169 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -2.046 -10.701 -18.983 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -0.479 -8.387 -21.159 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -1.598 -8.616 -19.812 1.00 0.00 H new ATOM 370 N LEU A 27 1.325 -11.930 -16.636 1.00 0.00 N ATOM 371 CA LEU A 27 2.622 -12.565 -16.478 1.00 0.00 C ATOM 372 C LEU A 27 2.473 -14.075 -16.674 1.00 0.00 C ATOM 373 O LEU A 27 1.368 -14.571 -16.885 1.00 0.00 O ATOM 374 CB LEU A 27 3.249 -12.177 -15.138 1.00 0.00 C ATOM 375 CG LEU A 27 3.371 -10.677 -14.863 1.00 0.00 C ATOM 376 CD1 LEU A 27 3.365 -10.393 -13.359 1.00 0.00 C ATOM 377 CD2 LEU A 27 4.605 -10.092 -15.552 1.00 0.00 C ATOM 0 H LEU A 27 0.647 -12.160 -15.910 1.00 0.00 H new ATOM 0 HA LEU A 27 3.315 -12.211 -17.241 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.658 -12.626 -14.340 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.244 -12.618 -15.084 1.00 0.00 H new ATOM 0 HG LEU A 27 2.499 -10.180 -15.288 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.453 -9.320 -13.191 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.432 -10.753 -12.924 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.205 -10.904 -12.889 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.668 -9.025 -15.340 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.500 -10.589 -15.179 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.527 -10.245 -16.628 1.00 0.00 H new ATOM 389 N GLU A 28 3.603 -14.764 -16.598 1.00 0.00 N ATOM 390 CA GLU A 28 3.612 -16.207 -16.764 1.00 0.00 C ATOM 391 C GLU A 28 4.653 -16.841 -15.839 1.00 0.00 C ATOM 392 O GLU A 28 5.424 -16.136 -15.191 1.00 0.00 O ATOM 393 CB GLU A 28 3.869 -16.589 -18.223 1.00 0.00 C ATOM 394 CG GLU A 28 2.685 -17.366 -18.802 1.00 0.00 C ATOM 395 CD GLU A 28 3.164 -18.478 -19.738 1.00 0.00 C ATOM 396 OE1 GLU A 28 4.110 -19.190 -19.336 1.00 0.00 O ATOM 397 OE2 GLU A 28 2.574 -18.591 -20.834 1.00 0.00 O ATOM 0 H GLU A 28 4.518 -14.349 -16.424 1.00 0.00 H new ATOM 0 HA GLU A 28 2.629 -16.591 -16.490 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.042 -15.689 -18.813 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.774 -17.193 -18.291 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.096 -17.796 -17.992 1.00 0.00 H new ATOM 0 HG3 GLU A 28 2.030 -16.685 -19.345 1.00 0.00 H new ATOM 404 N LYS A 29 4.642 -18.166 -15.808 1.00 0.00 N ATOM 405 CA LYS A 29 5.576 -18.903 -14.974 1.00 0.00 C ATOM 406 C LYS A 29 5.983 -20.193 -15.689 1.00 0.00 C ATOM 407 O LYS A 29 7.138 -20.349 -16.085 1.00 0.00 O ATOM 408 CB LYS A 29 4.985 -19.132 -13.582 1.00 0.00 C ATOM 409 CG LYS A 29 5.892 -20.035 -12.743 1.00 0.00 C ATOM 410 CD LYS A 29 7.204 -19.327 -12.400 1.00 0.00 C ATOM 411 CE LYS A 29 7.740 -19.793 -11.045 1.00 0.00 C ATOM 412 NZ LYS A 29 8.853 -18.924 -10.601 1.00 0.00 N ATOM 0 H LYS A 29 4.001 -18.748 -16.347 1.00 0.00 H new ATOM 0 HA LYS A 29 6.486 -18.324 -14.818 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.852 -18.175 -13.078 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.998 -19.585 -13.672 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.378 -20.321 -11.825 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.103 -20.954 -13.290 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.943 -19.527 -13.176 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.045 -18.249 -12.381 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.940 -19.775 -10.305 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.084 -20.825 -11.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.205 -19.254 -9.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.623 -18.962 -11.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.514 -17.945 -10.511 1.00 0.00 H new ATOM 426 N ASP A 30 5.013 -21.083 -15.833 1.00 0.00 N ATOM 427 CA ASP A 30 5.257 -22.355 -16.494 1.00 0.00 C ATOM 428 C ASP A 30 4.550 -22.363 -17.851 1.00 0.00 C ATOM 429 O ASP A 30 5.198 -22.466 -18.891 1.00 0.00 O ATOM 430 CB ASP A 30 4.707 -23.519 -15.667 1.00 0.00 C ATOM 431 CG ASP A 30 5.523 -24.811 -15.747 1.00 0.00 C ATOM 432 OD1 ASP A 30 6.489 -24.922 -14.962 1.00 0.00 O ATOM 433 OD2 ASP A 30 5.162 -25.658 -16.592 1.00 0.00 O ATOM 0 H ASP A 30 4.057 -20.950 -15.504 1.00 0.00 H new ATOM 0 HA ASP A 30 6.334 -22.473 -16.612 1.00 0.00 H new ATOM 0 HB2 ASP A 30 4.648 -23.208 -14.624 1.00 0.00 H new ATOM 0 HB3 ASP A 30 3.689 -23.729 -15.995 1.00 0.00 H new ATOM 438 N LYS A 31 3.231 -22.253 -17.796 1.00 0.00 N ATOM 439 CA LYS A 31 2.430 -22.247 -19.008 1.00 0.00 C ATOM 440 C LYS A 31 1.010 -21.787 -18.672 1.00 0.00 C ATOM 441 O LYS A 31 0.036 -22.376 -19.138 1.00 0.00 O ATOM 442 CB LYS A 31 2.487 -23.613 -19.695 1.00 0.00 C ATOM 443 CG LYS A 31 1.871 -24.698 -18.811 1.00 0.00 C ATOM 444 CD LYS A 31 1.550 -25.953 -19.625 1.00 0.00 C ATOM 445 CE LYS A 31 0.423 -26.756 -18.974 1.00 0.00 C ATOM 446 NZ LYS A 31 0.969 -27.692 -17.965 1.00 0.00 N ATOM 0 H LYS A 31 2.697 -22.167 -16.931 1.00 0.00 H new ATOM 0 HA LYS A 31 2.835 -21.536 -19.729 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.955 -23.568 -20.646 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.523 -23.867 -19.921 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.560 -24.950 -18.005 1.00 0.00 H new ATOM 0 HG3 LYS A 31 0.961 -24.319 -18.346 1.00 0.00 H new ATOM 0 HD2 LYS A 31 1.262 -25.670 -20.637 1.00 0.00 H new ATOM 0 HD3 LYS A 31 2.442 -26.574 -19.709 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.289 -26.078 -18.503 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.123 -27.312 -19.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 0.191 -28.229 -17.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 1.631 -28.350 -18.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 1.470 -27.155 -17.228 1.00 0.00 H new ATOM 460 N LYS A 32 0.937 -20.737 -17.867 1.00 0.00 N ATOM 461 CA LYS A 32 -0.348 -20.191 -17.464 1.00 0.00 C ATOM 462 C LYS A 32 -0.289 -18.663 -17.524 1.00 0.00 C ATOM 463 O LYS A 32 0.259 -18.024 -16.626 1.00 0.00 O ATOM 464 CB LYS A 32 -0.757 -20.737 -16.095 1.00 0.00 C ATOM 465 CG LYS A 32 -0.818 -22.266 -16.111 1.00 0.00 C ATOM 466 CD LYS A 32 0.436 -22.872 -15.478 1.00 0.00 C ATOM 467 CE LYS A 32 0.070 -23.967 -14.475 1.00 0.00 C ATOM 468 NZ LYS A 32 0.927 -23.875 -13.271 1.00 0.00 N ATOM 0 H LYS A 32 1.747 -20.250 -17.483 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.130 -20.508 -18.154 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.044 -20.406 -15.340 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.730 -20.333 -15.814 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.702 -22.604 -15.570 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.918 -22.619 -17.137 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.076 -23.286 -16.257 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.008 -22.091 -14.977 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -0.978 -23.872 -14.191 1.00 0.00 H new ATOM 0 HE3 LYS A 32 0.187 -24.947 -14.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 0.665 -24.626 -12.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 1.924 -23.988 -13.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 0.795 -22.947 -12.821 1.00 0.00 H new ATOM 482 N VAL A 33 -0.860 -18.122 -18.589 1.00 0.00 N ATOM 483 CA VAL A 33 -0.880 -16.681 -18.778 1.00 0.00 C ATOM 484 C VAL A 33 -1.727 -16.038 -17.678 1.00 0.00 C ATOM 485 O VAL A 33 -2.925 -15.824 -17.858 1.00 0.00 O ATOM 486 CB VAL A 33 -1.373 -16.344 -20.186 1.00 0.00 C ATOM 487 CG1 VAL A 33 -1.449 -14.830 -20.393 1.00 0.00 C ATOM 488 CG2 VAL A 33 -0.487 -16.998 -21.249 1.00 0.00 C ATOM 0 H VAL A 33 -1.313 -18.656 -19.331 1.00 0.00 H new ATOM 0 HA VAL A 33 0.127 -16.271 -18.694 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.380 -16.748 -20.293 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.802 -14.618 -21.402 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.139 -14.398 -19.669 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.459 -14.394 -20.256 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.860 -16.742 -22.241 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.536 -16.638 -21.142 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.506 -18.080 -21.122 1.00 0.00 H new ATOM 498 N PHE A 34 -1.072 -15.749 -16.563 1.00 0.00 N ATOM 499 CA PHE A 34 -1.750 -15.136 -15.434 1.00 0.00 C ATOM 500 C PHE A 34 -2.123 -13.684 -15.741 1.00 0.00 C ATOM 501 O PHE A 34 -1.265 -12.803 -15.728 1.00 0.00 O ATOM 502 CB PHE A 34 -0.773 -15.161 -14.257 1.00 0.00 C ATOM 503 CG PHE A 34 -0.460 -16.566 -13.737 1.00 0.00 C ATOM 504 CD1 PHE A 34 -1.387 -17.241 -13.006 1.00 0.00 C ATOM 505 CD2 PHE A 34 0.743 -17.138 -14.007 1.00 0.00 C ATOM 506 CE1 PHE A 34 -1.097 -18.545 -12.523 1.00 0.00 C ATOM 507 CE2 PHE A 34 1.033 -18.442 -13.525 1.00 0.00 C ATOM 508 CZ PHE A 34 0.107 -19.118 -12.793 1.00 0.00 C ATOM 0 H PHE A 34 -0.078 -15.928 -16.418 1.00 0.00 H new ATOM 0 HA PHE A 34 -2.668 -15.680 -15.212 1.00 0.00 H new ATOM 0 HB2 PHE A 34 0.158 -14.681 -14.560 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -1.187 -14.567 -13.442 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.343 -16.786 -12.793 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.478 -16.601 -14.588 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.832 -19.081 -11.942 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.989 -18.897 -13.740 1.00 0.00 H new ATOM 0 HZ PHE A 34 0.328 -20.110 -12.426 1.00 0.00 H new ATOM 518 N ASN A 35 -3.404 -13.480 -16.011 1.00 0.00 N ATOM 519 CA ASN A 35 -3.901 -12.150 -16.321 1.00 0.00 C ATOM 520 C ASN A 35 -4.275 -11.434 -15.022 1.00 0.00 C ATOM 521 O ASN A 35 -4.524 -12.078 -14.004 1.00 0.00 O ATOM 522 CB ASN A 35 -5.151 -12.220 -17.200 1.00 0.00 C ATOM 523 CG ASN A 35 -4.792 -12.610 -18.635 1.00 0.00 C ATOM 524 OD1 ASN A 35 -4.755 -11.789 -19.537 1.00 0.00 O ATOM 525 ND2 ASN A 35 -4.530 -13.904 -18.795 1.00 0.00 N ATOM 0 H ASN A 35 -4.113 -14.213 -16.022 1.00 0.00 H new ATOM 0 HA ASN A 35 -3.116 -11.612 -16.853 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -5.850 -12.946 -16.786 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -5.656 -11.254 -17.198 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -4.280 -14.264 -19.716 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -4.579 -14.537 -17.997 1.00 0.00 H new ATOM 532 N HIS A 36 -4.303 -10.112 -15.099 1.00 0.00 N ATOM 533 CA HIS A 36 -4.643 -9.302 -13.942 1.00 0.00 C ATOM 534 C HIS A 36 -3.942 -9.859 -12.701 1.00 0.00 C ATOM 535 O HIS A 36 -4.578 -10.481 -11.851 1.00 0.00 O ATOM 536 CB HIS A 36 -6.161 -9.206 -13.772 1.00 0.00 C ATOM 537 CG HIS A 36 -6.894 -8.789 -15.025 1.00 0.00 C ATOM 538 ND1 HIS A 36 -6.434 -7.790 -15.865 1.00 0.00 N ATOM 539 CD2 HIS A 36 -8.057 -9.247 -15.571 1.00 0.00 C ATOM 540 CE1 HIS A 36 -7.290 -7.660 -16.868 1.00 0.00 C ATOM 541 NE2 HIS A 36 -8.295 -8.563 -16.684 1.00 0.00 N ATOM 0 H HIS A 36 -4.096 -9.581 -15.945 1.00 0.00 H new ATOM 0 HA HIS A 36 -4.287 -8.283 -14.091 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -6.542 -10.174 -13.446 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -6.383 -8.492 -12.979 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -8.679 -10.032 -15.167 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -7.206 -6.961 -17.687 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -9.098 -8.692 -17.300 1.00 0.00 H new ATOM 549 N CYS A 37 -2.641 -9.616 -12.637 1.00 0.00 N ATOM 550 CA CYS A 37 -1.847 -10.086 -11.515 1.00 0.00 C ATOM 551 C CYS A 37 -0.860 -8.982 -11.129 1.00 0.00 C ATOM 552 O CYS A 37 -0.695 -8.008 -11.862 1.00 0.00 O ATOM 553 CB CYS A 37 -1.135 -11.401 -11.837 1.00 0.00 C ATOM 554 SG CYS A 37 -1.914 -12.777 -10.915 1.00 0.00 S ATOM 0 H CYS A 37 -2.117 -9.100 -13.344 1.00 0.00 H new ATOM 0 HA CYS A 37 -2.500 -10.301 -10.669 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -1.183 -11.597 -12.908 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.080 -11.327 -11.573 1.00 0.00 H new ATOM 0 HG CYS A 37 -1.303 -13.889 -11.197 1.00 0.00 H new ATOM 560 N LEU A 38 -0.229 -9.171 -9.980 1.00 0.00 N ATOM 561 CA LEU A 38 0.737 -8.204 -9.488 1.00 0.00 C ATOM 562 C LEU A 38 2.079 -8.901 -9.258 1.00 0.00 C ATOM 563 O LEU A 38 2.377 -9.909 -9.898 1.00 0.00 O ATOM 564 CB LEU A 38 0.196 -7.488 -8.249 1.00 0.00 C ATOM 565 CG LEU A 38 -1.325 -7.338 -8.171 1.00 0.00 C ATOM 566 CD1 LEU A 38 -1.750 -6.749 -6.825 1.00 0.00 C ATOM 567 CD2 LEU A 38 -1.856 -6.519 -9.349 1.00 0.00 C ATOM 0 H LEU A 38 -0.368 -9.980 -9.375 1.00 0.00 H new ATOM 0 HA LEU A 38 0.906 -7.424 -10.230 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.534 -8.029 -7.365 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.642 -6.494 -8.204 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.770 -8.330 -8.242 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.835 -6.653 -6.796 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.422 -7.407 -6.020 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.295 -5.766 -6.698 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.939 -6.427 -9.270 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.406 -5.526 -9.334 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.602 -7.019 -10.284 1.00 0.00 H new ATOM 579 N THR A 39 2.854 -8.338 -8.343 1.00 0.00 N ATOM 580 CA THR A 39 4.157 -8.893 -8.020 1.00 0.00 C ATOM 581 C THR A 39 4.642 -8.367 -6.668 1.00 0.00 C ATOM 582 O THR A 39 4.537 -7.173 -6.389 1.00 0.00 O ATOM 583 CB THR A 39 5.108 -8.569 -9.175 1.00 0.00 C ATOM 584 OG1 THR A 39 4.715 -7.265 -9.592 1.00 0.00 O ATOM 585 CG2 THR A 39 4.857 -9.445 -10.404 1.00 0.00 C ATOM 0 H THR A 39 2.604 -7.502 -7.815 1.00 0.00 H new ATOM 0 HA THR A 39 4.109 -9.977 -7.913 1.00 0.00 H new ATOM 0 HB THR A 39 6.138 -8.696 -8.843 1.00 0.00 H new ATOM 0 HG1 THR A 39 5.281 -6.975 -10.337 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.558 -9.174 -11.193 1.00 0.00 H new ATOM 0 HG22 THR A 39 4.997 -10.493 -10.139 1.00 0.00 H new ATOM 0 HG23 THR A 39 3.837 -9.293 -10.757 1.00 0.00 H new ATOM 593 N GLY A 40 5.161 -9.283 -5.864 1.00 0.00 N ATOM 594 CA GLY A 40 5.662 -8.926 -4.548 1.00 0.00 C ATOM 595 C GLY A 40 6.349 -7.559 -4.575 1.00 0.00 C ATOM 596 O GLY A 40 6.082 -6.709 -3.726 1.00 0.00 O ATOM 0 H GLY A 40 5.245 -10.272 -6.099 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.839 -8.909 -3.834 1.00 0.00 H new ATOM 0 HA3 GLY A 40 6.366 -9.684 -4.205 1.00 0.00 H new ATOM 600 N SER A 41 7.220 -7.389 -5.558 1.00 0.00 N ATOM 601 CA SER A 41 7.947 -6.140 -5.707 1.00 0.00 C ATOM 602 C SER A 41 7.001 -5.038 -6.189 1.00 0.00 C ATOM 603 O SER A 41 7.002 -3.934 -5.648 1.00 0.00 O ATOM 604 CB SER A 41 9.119 -6.296 -6.679 1.00 0.00 C ATOM 605 OG SER A 41 9.377 -5.095 -7.401 1.00 0.00 O ATOM 0 H SER A 41 7.439 -8.096 -6.260 1.00 0.00 H new ATOM 0 HA SER A 41 8.352 -5.863 -4.734 1.00 0.00 H new ATOM 0 HB2 SER A 41 10.013 -6.586 -6.126 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.903 -7.102 -7.381 1.00 0.00 H new ATOM 0 HG SER A 41 10.133 -5.235 -8.009 1.00 0.00 H new ATOM 611 N GLY A 42 6.217 -5.377 -7.202 1.00 0.00 N ATOM 612 CA GLY A 42 5.268 -4.430 -7.763 1.00 0.00 C ATOM 613 C GLY A 42 4.315 -3.906 -6.687 1.00 0.00 C ATOM 614 O GLY A 42 4.159 -2.697 -6.527 1.00 0.00 O ATOM 0 H GLY A 42 6.219 -6.294 -7.649 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.805 -3.596 -8.215 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.697 -4.910 -8.558 1.00 0.00 H new ATOM 618 N VAL A 43 3.702 -4.843 -5.978 1.00 0.00 N ATOM 619 CA VAL A 43 2.769 -4.491 -4.922 1.00 0.00 C ATOM 620 C VAL A 43 3.348 -3.339 -4.098 1.00 0.00 C ATOM 621 O VAL A 43 2.690 -2.319 -3.902 1.00 0.00 O ATOM 622 CB VAL A 43 2.443 -5.725 -4.078 1.00 0.00 C ATOM 623 CG1 VAL A 43 1.576 -5.353 -2.874 1.00 0.00 C ATOM 624 CG2 VAL A 43 1.769 -6.806 -4.926 1.00 0.00 C ATOM 0 H VAL A 43 3.834 -5.845 -6.115 1.00 0.00 H new ATOM 0 HA VAL A 43 1.826 -4.146 -5.346 1.00 0.00 H new ATOM 0 HB VAL A 43 3.382 -6.131 -3.701 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.359 -6.248 -2.291 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.108 -4.634 -2.251 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.642 -4.911 -3.221 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.548 -7.672 -4.302 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.842 -6.414 -5.345 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.436 -7.102 -5.735 1.00 0.00 H new ATOM 634 N ILE A 44 4.573 -3.542 -3.636 1.00 0.00 N ATOM 635 CA ILE A 44 5.249 -2.533 -2.838 1.00 0.00 C ATOM 636 C ILE A 44 5.545 -1.312 -3.710 1.00 0.00 C ATOM 637 O ILE A 44 5.311 -0.178 -3.296 1.00 0.00 O ATOM 638 CB ILE A 44 6.490 -3.124 -2.166 1.00 0.00 C ATOM 639 CG1 ILE A 44 6.138 -4.391 -1.382 1.00 0.00 C ATOM 640 CG2 ILE A 44 7.187 -2.083 -1.289 1.00 0.00 C ATOM 641 CD1 ILE A 44 7.372 -5.274 -1.186 1.00 0.00 C ATOM 0 H ILE A 44 5.115 -4.390 -3.799 1.00 0.00 H new ATOM 0 HA ILE A 44 4.605 -2.196 -2.026 1.00 0.00 H new ATOM 0 HB ILE A 44 7.195 -3.413 -2.945 1.00 0.00 H new ATOM 0 HG12 ILE A 44 5.723 -4.119 -0.411 1.00 0.00 H new ATOM 0 HG13 ILE A 44 5.367 -4.949 -1.913 1.00 0.00 H new ATOM 0 HG21 ILE A 44 8.066 -2.529 -0.823 1.00 0.00 H new ATOM 0 HG22 ILE A 44 7.493 -1.236 -1.903 1.00 0.00 H new ATOM 0 HG23 ILE A 44 6.500 -1.741 -0.515 1.00 0.00 H new ATOM 0 HD11 ILE A 44 7.095 -6.167 -0.626 1.00 0.00 H new ATOM 0 HD12 ILE A 44 7.770 -5.564 -2.158 1.00 0.00 H new ATOM 0 HD13 ILE A 44 8.131 -4.721 -0.633 1.00 0.00 H new ATOM 653 N ASP A 45 6.055 -1.586 -4.902 1.00 0.00 N ATOM 654 CA ASP A 45 6.385 -0.524 -5.837 1.00 0.00 C ATOM 655 C ASP A 45 5.289 0.543 -5.798 1.00 0.00 C ATOM 656 O ASP A 45 5.580 1.735 -5.719 1.00 0.00 O ATOM 657 CB ASP A 45 6.476 -1.057 -7.268 1.00 0.00 C ATOM 658 CG ASP A 45 7.286 -0.188 -8.232 1.00 0.00 C ATOM 659 OD1 ASP A 45 8.075 0.638 -7.725 1.00 0.00 O ATOM 660 OD2 ASP A 45 7.098 -0.370 -9.454 1.00 0.00 O ATOM 0 H ASP A 45 6.248 -2.528 -5.242 1.00 0.00 H new ATOM 0 HA ASP A 45 7.349 -0.107 -5.546 1.00 0.00 H new ATOM 0 HB2 ASP A 45 6.919 -2.053 -7.241 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.466 -1.167 -7.663 1.00 0.00 H new ATOM 665 N TRP A 46 4.050 0.075 -5.855 1.00 0.00 N ATOM 666 CA TRP A 46 2.909 0.974 -5.828 1.00 0.00 C ATOM 667 C TRP A 46 2.950 1.751 -4.511 1.00 0.00 C ATOM 668 O TRP A 46 3.000 2.980 -4.512 1.00 0.00 O ATOM 669 CB TRP A 46 1.601 0.206 -6.028 1.00 0.00 C ATOM 670 CG TRP A 46 0.350 1.085 -5.982 1.00 0.00 C ATOM 671 CD1 TRP A 46 -0.079 1.960 -6.902 1.00 0.00 C ATOM 672 CD2 TRP A 46 -0.624 1.138 -4.918 1.00 0.00 C ATOM 673 NE1 TRP A 46 -1.253 2.571 -6.510 1.00 0.00 N ATOM 674 CE2 TRP A 46 -1.595 2.055 -5.266 1.00 0.00 C ATOM 675 CE3 TRP A 46 -0.683 0.434 -3.702 1.00 0.00 C ATOM 676 CZ2 TRP A 46 -2.694 2.353 -4.452 1.00 0.00 C ATOM 677 CZ3 TRP A 46 -1.788 0.744 -2.900 1.00 0.00 C ATOM 678 CH2 TRP A 46 -2.774 1.664 -3.236 1.00 0.00 C ATOM 0 H TRP A 46 3.812 -0.915 -5.920 1.00 0.00 H new ATOM 0 HA TRP A 46 2.959 1.685 -6.653 1.00 0.00 H new ATOM 0 HB2 TRP A 46 1.636 -0.308 -6.989 1.00 0.00 H new ATOM 0 HB3 TRP A 46 1.521 -0.562 -5.259 1.00 0.00 H new ATOM 0 HD1 TRP A 46 0.430 2.162 -7.833 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -1.774 3.272 -7.037 1.00 0.00 H new ATOM 0 HE3 TRP A 46 0.065 -0.288 -3.410 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -3.440 3.076 -4.746 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -1.881 0.232 -1.954 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -3.598 1.847 -2.562 1.00 0.00 H new ATOM 689 N LEU A 47 2.928 1.002 -3.418 1.00 0.00 N ATOM 690 CA LEU A 47 2.963 1.604 -2.096 1.00 0.00 C ATOM 691 C LEU A 47 4.050 2.680 -2.059 1.00 0.00 C ATOM 692 O LEU A 47 3.831 3.772 -1.539 1.00 0.00 O ATOM 693 CB LEU A 47 3.124 0.529 -1.021 1.00 0.00 C ATOM 694 CG LEU A 47 2.067 -0.578 -1.014 1.00 0.00 C ATOM 695 CD1 LEU A 47 2.682 -1.920 -0.613 1.00 0.00 C ATOM 696 CD2 LEU A 47 0.883 -0.200 -0.123 1.00 0.00 C ATOM 0 H LEU A 47 2.886 -0.017 -3.421 1.00 0.00 H new ATOM 0 HA LEU A 47 2.017 2.099 -1.878 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.104 0.067 -1.141 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.118 1.015 -0.046 1.00 0.00 H new ATOM 0 HG LEU A 47 1.683 -0.690 -2.028 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.910 -2.689 -0.616 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.464 -2.188 -1.323 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.111 -1.840 0.386 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.147 -1.004 -0.136 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.231 -0.043 0.898 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.426 0.717 -0.495 1.00 0.00 H new ATOM 708 N VAL A 48 5.200 2.332 -2.618 1.00 0.00 N ATOM 709 CA VAL A 48 6.323 3.254 -2.655 1.00 0.00 C ATOM 710 C VAL A 48 6.038 4.358 -3.676 1.00 0.00 C ATOM 711 O VAL A 48 6.493 5.489 -3.516 1.00 0.00 O ATOM 712 CB VAL A 48 7.617 2.491 -2.945 1.00 0.00 C ATOM 713 CG1 VAL A 48 8.711 3.438 -3.444 1.00 0.00 C ATOM 714 CG2 VAL A 48 8.084 1.715 -1.712 1.00 0.00 C ATOM 0 H VAL A 48 5.378 1.425 -3.049 1.00 0.00 H new ATOM 0 HA VAL A 48 6.455 3.734 -1.685 1.00 0.00 H new ATOM 0 HB VAL A 48 7.411 1.770 -3.736 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.620 2.871 -3.643 1.00 0.00 H new ATOM 0 HG12 VAL A 48 8.380 3.926 -4.361 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.913 4.193 -2.684 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.006 1.182 -1.945 1.00 0.00 H new ATOM 0 HG22 VAL A 48 8.265 2.410 -0.892 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.315 1.000 -1.419 1.00 0.00 H new ATOM 724 N SER A 49 5.285 3.990 -4.702 1.00 0.00 N ATOM 725 CA SER A 49 4.933 4.934 -5.749 1.00 0.00 C ATOM 726 C SER A 49 3.940 5.966 -5.211 1.00 0.00 C ATOM 727 O SER A 49 4.105 7.165 -5.429 1.00 0.00 O ATOM 728 CB SER A 49 4.346 4.215 -6.965 1.00 0.00 C ATOM 729 OG SER A 49 5.105 4.458 -8.146 1.00 0.00 O ATOM 0 H SER A 49 4.909 3.051 -4.831 1.00 0.00 H new ATOM 0 HA SER A 49 5.841 5.445 -6.068 1.00 0.00 H new ATOM 0 HB2 SER A 49 4.311 3.143 -6.771 1.00 0.00 H new ATOM 0 HB3 SER A 49 3.319 4.544 -7.120 1.00 0.00 H new ATOM 0 HG SER A 49 4.699 3.981 -8.900 1.00 0.00 H new ATOM 735 N ASN A 50 2.929 5.462 -4.518 1.00 0.00 N ATOM 736 CA ASN A 50 1.909 6.324 -3.947 1.00 0.00 C ATOM 737 C ASN A 50 2.414 6.895 -2.620 1.00 0.00 C ATOM 738 O ASN A 50 1.927 7.926 -2.158 1.00 0.00 O ATOM 739 CB ASN A 50 0.622 5.545 -3.667 1.00 0.00 C ATOM 740 CG ASN A 50 0.927 4.211 -2.983 1.00 0.00 C ATOM 741 OD1 ASN A 50 1.358 4.152 -1.843 1.00 0.00 O ATOM 742 ND2 ASN A 50 0.680 3.146 -3.741 1.00 0.00 N ATOM 0 H ASN A 50 2.795 4.467 -4.339 1.00 0.00 H new ATOM 0 HA ASN A 50 1.701 7.119 -4.663 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -0.037 6.140 -3.035 1.00 0.00 H new ATOM 0 HB3 ASN A 50 0.091 5.366 -4.602 1.00 0.00 H new ATOM 0 HD21 ASN A 50 0.851 2.209 -3.376 1.00 0.00 H new ATOM 0 HD22 ASN A 50 0.320 3.266 -4.688 1.00 0.00 H new ATOM 749 N LYS A 51 3.384 6.200 -2.044 1.00 0.00 N ATOM 750 CA LYS A 51 3.960 6.625 -0.780 1.00 0.00 C ATOM 751 C LYS A 51 3.061 6.160 0.367 1.00 0.00 C ATOM 752 O LYS A 51 2.908 6.863 1.364 1.00 0.00 O ATOM 753 CB LYS A 51 4.217 8.133 -0.788 1.00 0.00 C ATOM 754 CG LYS A 51 4.875 8.571 -2.098 1.00 0.00 C ATOM 755 CD LYS A 51 6.400 8.566 -1.973 1.00 0.00 C ATOM 756 CE LYS A 51 7.062 8.409 -3.344 1.00 0.00 C ATOM 757 NZ LYS A 51 8.218 7.489 -3.259 1.00 0.00 N ATOM 0 H LYS A 51 3.785 5.345 -2.430 1.00 0.00 H new ATOM 0 HA LYS A 51 4.935 6.160 -0.630 1.00 0.00 H new ATOM 0 HB2 LYS A 51 3.276 8.666 -0.654 1.00 0.00 H new ATOM 0 HB3 LYS A 51 4.858 8.401 0.052 1.00 0.00 H new ATOM 0 HG2 LYS A 51 4.570 7.903 -2.904 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.532 9.570 -2.365 1.00 0.00 H new ATOM 0 HD2 LYS A 51 6.733 9.494 -1.508 1.00 0.00 H new ATOM 0 HD3 LYS A 51 6.712 7.752 -1.319 1.00 0.00 H new ATOM 0 HE2 LYS A 51 6.337 8.026 -4.063 1.00 0.00 H new ATOM 0 HE3 LYS A 51 7.390 9.382 -3.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 8.905 7.725 -4.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 8.670 7.585 -2.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 7.892 6.510 -3.386 1.00 0.00 H new ATOM 771 N LEU A 52 2.490 4.978 0.187 1.00 0.00 N ATOM 772 CA LEU A 52 1.610 4.411 1.195 1.00 0.00 C ATOM 773 C LEU A 52 2.433 4.029 2.427 1.00 0.00 C ATOM 774 O LEU A 52 1.887 3.881 3.520 1.00 0.00 O ATOM 775 CB LEU A 52 0.804 3.249 0.610 1.00 0.00 C ATOM 776 CG LEU A 52 -0.550 3.614 -0.003 1.00 0.00 C ATOM 777 CD1 LEU A 52 -1.070 2.484 -0.894 1.00 0.00 C ATOM 778 CD2 LEU A 52 -1.557 3.998 1.082 1.00 0.00 C ATOM 0 H LEU A 52 2.620 4.397 -0.642 1.00 0.00 H new ATOM 0 HA LEU A 52 0.875 5.148 1.518 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.408 2.763 -0.156 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.638 2.515 1.398 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.413 4.489 -0.639 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.033 2.768 -1.317 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.360 2.300 -1.700 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.188 1.578 -0.300 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.511 4.253 0.620 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.697 3.158 1.762 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.182 4.857 1.638 1.00 0.00 H new ATOM 790 N VAL A 53 3.731 3.882 2.210 1.00 0.00 N ATOM 791 CA VAL A 53 4.634 3.521 3.290 1.00 0.00 C ATOM 792 C VAL A 53 5.823 4.483 3.299 1.00 0.00 C ATOM 793 O VAL A 53 5.835 5.467 2.560 1.00 0.00 O ATOM 794 CB VAL A 53 5.052 2.055 3.154 1.00 0.00 C ATOM 795 CG1 VAL A 53 3.869 1.121 3.413 1.00 0.00 C ATOM 796 CG2 VAL A 53 5.673 1.787 1.782 1.00 0.00 C ATOM 0 H VAL A 53 4.180 4.006 1.302 1.00 0.00 H new ATOM 0 HA VAL A 53 4.133 3.615 4.254 1.00 0.00 H new ATOM 0 HB VAL A 53 5.810 1.851 3.910 1.00 0.00 H new ATOM 0 HG11 VAL A 53 4.194 0.086 3.310 1.00 0.00 H new ATOM 0 HG12 VAL A 53 3.491 1.284 4.422 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.078 1.327 2.692 1.00 0.00 H new ATOM 0 HG21 VAL A 53 5.961 0.738 1.712 1.00 0.00 H new ATOM 0 HG22 VAL A 53 4.946 2.017 1.003 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.555 2.415 1.653 1.00 0.00 H new ATOM 806 N ARG A 54 6.794 4.166 4.143 1.00 0.00 N ATOM 807 CA ARG A 54 7.985 4.991 4.257 1.00 0.00 C ATOM 808 C ARG A 54 9.118 4.407 3.411 1.00 0.00 C ATOM 809 O ARG A 54 10.001 5.136 2.962 1.00 0.00 O ATOM 810 CB ARG A 54 8.445 5.095 5.712 1.00 0.00 C ATOM 811 CG ARG A 54 7.576 6.082 6.493 1.00 0.00 C ATOM 812 CD ARG A 54 8.230 7.464 6.550 1.00 0.00 C ATOM 813 NE ARG A 54 7.227 8.484 6.929 1.00 0.00 N ATOM 814 CZ ARG A 54 6.334 9.011 6.081 1.00 0.00 C ATOM 815 NH1 ARG A 54 6.313 8.618 4.800 1.00 0.00 N ATOM 816 NH2 ARG A 54 5.462 9.932 6.513 1.00 0.00 N ATOM 0 H ARG A 54 6.780 3.350 4.754 1.00 0.00 H new ATOM 0 HA ARG A 54 7.734 5.988 3.895 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.399 4.113 6.183 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.486 5.416 5.746 1.00 0.00 H new ATOM 0 HG2 ARG A 54 6.595 6.159 6.023 1.00 0.00 H new ATOM 0 HG3 ARG A 54 7.416 5.709 7.505 1.00 0.00 H new ATOM 0 HD2 ARG A 54 9.047 7.459 7.272 1.00 0.00 H new ATOM 0 HD3 ARG A 54 8.663 7.711 5.581 1.00 0.00 H new ATOM 0 HE ARG A 54 7.215 8.806 7.897 1.00 0.00 H new ATOM 0 HH11 ARG A 54 6.977 7.917 4.471 1.00 0.00 H new ATOM 0 HH12 ARG A 54 5.633 9.019 4.154 1.00 0.00 H new ATOM 0 HH21 ARG A 54 5.478 10.232 7.488 1.00 0.00 H new ATOM 0 HH22 ARG A 54 4.782 10.333 5.867 1.00 0.00 H new ATOM 830 N ASN A 55 9.056 3.098 3.219 1.00 0.00 N ATOM 831 CA ASN A 55 10.067 2.408 2.435 1.00 0.00 C ATOM 832 C ASN A 55 9.556 1.013 2.069 1.00 0.00 C ATOM 833 O ASN A 55 8.644 0.493 2.710 1.00 0.00 O ATOM 834 CB ASN A 55 11.363 2.243 3.231 1.00 0.00 C ATOM 835 CG ASN A 55 11.072 1.842 4.678 1.00 0.00 C ATOM 836 OD1 ASN A 55 11.079 0.677 5.041 1.00 0.00 O ATOM 837 ND2 ASN A 55 10.815 2.869 5.483 1.00 0.00 N ATOM 0 H ASN A 55 8.322 2.497 3.593 1.00 0.00 H new ATOM 0 HA ASN A 55 10.265 3.001 1.542 1.00 0.00 H new ATOM 0 HB2 ASN A 55 11.989 1.486 2.759 1.00 0.00 H new ATOM 0 HB3 ASN A 55 11.925 3.177 3.215 1.00 0.00 H new ATOM 0 HD21 ASN A 55 10.608 2.705 6.468 1.00 0.00 H new ATOM 0 HD22 ASN A 55 10.825 3.820 5.115 1.00 0.00 H new ATOM 844 N ARG A 56 10.167 0.446 1.038 1.00 0.00 N ATOM 845 CA ARG A 56 9.786 -0.879 0.579 1.00 0.00 C ATOM 846 C ARG A 56 9.523 -1.799 1.772 1.00 0.00 C ATOM 847 O ARG A 56 8.520 -2.512 1.802 1.00 0.00 O ATOM 848 CB ARG A 56 10.878 -1.492 -0.299 1.00 0.00 C ATOM 849 CG ARG A 56 10.816 -0.934 -1.722 1.00 0.00 C ATOM 850 CD ARG A 56 10.284 -1.984 -2.700 1.00 0.00 C ATOM 851 NE ARG A 56 11.108 -3.211 -2.623 1.00 0.00 N ATOM 852 CZ ARG A 56 11.101 -4.180 -3.548 1.00 0.00 C ATOM 853 NH1 ARG A 56 10.312 -4.071 -4.626 1.00 0.00 N ATOM 854 NH2 ARG A 56 11.881 -5.259 -3.396 1.00 0.00 N ATOM 0 H ARG A 56 10.923 0.880 0.508 1.00 0.00 H new ATOM 0 HA ARG A 56 8.876 -0.777 -0.012 1.00 0.00 H new ATOM 0 HB2 ARG A 56 11.857 -1.285 0.134 1.00 0.00 H new ATOM 0 HB3 ARG A 56 10.763 -2.576 -0.324 1.00 0.00 H new ATOM 0 HG2 ARG A 56 10.174 -0.053 -1.744 1.00 0.00 H new ATOM 0 HG3 ARG A 56 11.810 -0.612 -2.034 1.00 0.00 H new ATOM 0 HD2 ARG A 56 9.246 -2.218 -2.466 1.00 0.00 H new ATOM 0 HD3 ARG A 56 10.300 -1.588 -3.716 1.00 0.00 H new ATOM 0 HE ARG A 56 11.720 -3.326 -1.815 1.00 0.00 H new ATOM 0 HH11 ARG A 56 9.717 -3.250 -4.742 1.00 0.00 H new ATOM 0 HH12 ARG A 56 10.306 -4.809 -5.331 1.00 0.00 H new ATOM 0 HH21 ARG A 56 12.481 -5.343 -2.575 1.00 0.00 H new ATOM 0 HH22 ARG A 56 11.875 -5.996 -4.101 1.00 0.00 H new ATOM 868 N GLN A 57 10.441 -1.755 2.726 1.00 0.00 N ATOM 869 CA GLN A 57 10.320 -2.576 3.919 1.00 0.00 C ATOM 870 C GLN A 57 8.885 -2.537 4.448 1.00 0.00 C ATOM 871 O GLN A 57 8.206 -3.562 4.486 1.00 0.00 O ATOM 872 CB GLN A 57 11.313 -2.131 4.994 1.00 0.00 C ATOM 873 CG GLN A 57 11.850 -3.331 5.776 1.00 0.00 C ATOM 874 CD GLN A 57 10.807 -3.849 6.770 1.00 0.00 C ATOM 875 OE1 GLN A 57 10.139 -3.094 7.457 1.00 0.00 O ATOM 876 NE2 GLN A 57 10.707 -5.174 6.807 1.00 0.00 N ATOM 0 H GLN A 57 11.272 -1.164 2.697 1.00 0.00 H new ATOM 0 HA GLN A 57 10.560 -3.605 3.653 1.00 0.00 H new ATOM 0 HB2 GLN A 57 12.141 -1.595 4.530 1.00 0.00 H new ATOM 0 HB3 GLN A 57 10.827 -1.435 5.678 1.00 0.00 H new ATOM 0 HG2 GLN A 57 12.125 -4.127 5.084 1.00 0.00 H new ATOM 0 HG3 GLN A 57 12.756 -3.046 6.310 1.00 0.00 H new ATOM 0 HE21 GLN A 57 11.297 -5.747 6.204 1.00 0.00 H new ATOM 0 HE22 GLN A 57 10.040 -5.618 7.438 1.00 0.00 H new ATOM 885 N GLU A 58 8.466 -1.344 4.843 1.00 0.00 N ATOM 886 CA GLU A 58 7.125 -1.158 5.368 1.00 0.00 C ATOM 887 C GLU A 58 6.102 -1.861 4.473 1.00 0.00 C ATOM 888 O GLU A 58 5.249 -2.600 4.961 1.00 0.00 O ATOM 889 CB GLU A 58 6.795 0.329 5.515 1.00 0.00 C ATOM 890 CG GLU A 58 7.158 0.836 6.912 1.00 0.00 C ATOM 891 CD GLU A 58 8.411 0.136 7.441 1.00 0.00 C ATOM 892 OE1 GLU A 58 9.454 0.250 6.761 1.00 0.00 O ATOM 893 OE2 GLU A 58 8.298 -0.498 8.512 1.00 0.00 O ATOM 0 H GLU A 58 9.032 -0.496 4.810 1.00 0.00 H new ATOM 0 HA GLU A 58 7.079 -1.606 6.360 1.00 0.00 H new ATOM 0 HB2 GLU A 58 7.339 0.902 4.764 1.00 0.00 H new ATOM 0 HB3 GLU A 58 5.733 0.489 5.331 1.00 0.00 H new ATOM 0 HG2 GLU A 58 7.325 1.913 6.880 1.00 0.00 H new ATOM 0 HG3 GLU A 58 6.325 0.663 7.593 1.00 0.00 H new ATOM 900 N GLY A 59 6.221 -1.604 3.179 1.00 0.00 N ATOM 901 CA GLY A 59 5.318 -2.203 2.211 1.00 0.00 C ATOM 902 C GLY A 59 5.318 -3.729 2.331 1.00 0.00 C ATOM 903 O GLY A 59 4.264 -4.360 2.272 1.00 0.00 O ATOM 0 H GLY A 59 6.929 -0.989 2.778 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.308 -1.823 2.366 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.616 -1.914 1.203 1.00 0.00 H new ATOM 907 N LEU A 60 6.513 -4.277 2.499 1.00 0.00 N ATOM 908 CA LEU A 60 6.664 -5.716 2.628 1.00 0.00 C ATOM 909 C LEU A 60 5.737 -6.225 3.733 1.00 0.00 C ATOM 910 O LEU A 60 4.977 -7.170 3.525 1.00 0.00 O ATOM 911 CB LEU A 60 8.134 -6.083 2.842 1.00 0.00 C ATOM 912 CG LEU A 60 8.477 -7.571 2.734 1.00 0.00 C ATOM 913 CD1 LEU A 60 8.628 -8.201 4.120 1.00 0.00 C ATOM 914 CD2 LEU A 60 7.446 -8.310 1.878 1.00 0.00 C ATOM 0 H LEU A 60 7.385 -3.750 2.549 1.00 0.00 H new ATOM 0 HA LEU A 60 6.365 -6.214 1.706 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.734 -5.538 2.113 1.00 0.00 H new ATOM 0 HB3 LEU A 60 8.436 -5.732 3.829 1.00 0.00 H new ATOM 0 HG LEU A 60 9.440 -7.664 2.231 1.00 0.00 H new ATOM 0 HD11 LEU A 60 8.872 -9.258 4.015 1.00 0.00 H new ATOM 0 HD12 LEU A 60 9.427 -7.697 4.664 1.00 0.00 H new ATOM 0 HD13 LEU A 60 7.693 -8.097 4.671 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.713 -9.365 1.817 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.459 -8.211 2.330 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.431 -7.881 0.876 1.00 0.00 H new ATOM 926 N MET A 61 5.829 -5.576 4.885 1.00 0.00 N ATOM 927 CA MET A 61 5.007 -5.951 6.023 1.00 0.00 C ATOM 928 C MET A 61 3.525 -5.702 5.736 1.00 0.00 C ATOM 929 O MET A 61 2.697 -6.595 5.908 1.00 0.00 O ATOM 930 CB MET A 61 5.433 -5.141 7.249 1.00 0.00 C ATOM 931 CG MET A 61 6.957 -5.118 7.390 1.00 0.00 C ATOM 932 SD MET A 61 7.409 -4.719 9.069 1.00 0.00 S ATOM 933 CE MET A 61 6.705 -3.084 9.200 1.00 0.00 C ATOM 0 H MET A 61 6.460 -4.793 5.054 1.00 0.00 H new ATOM 0 HA MET A 61 5.146 -7.015 6.213 1.00 0.00 H new ATOM 0 HB2 MET A 61 5.057 -4.121 7.164 1.00 0.00 H new ATOM 0 HB3 MET A 61 4.988 -5.571 8.146 1.00 0.00 H new ATOM 0 HG2 MET A 61 7.371 -6.088 7.114 1.00 0.00 H new ATOM 0 HG3 MET A 61 7.383 -4.384 6.706 1.00 0.00 H new ATOM 0 HE1 MET A 61 7.352 -2.457 9.814 1.00 0.00 H new ATOM 0 HE2 MET A 61 6.613 -2.647 8.206 1.00 0.00 H new ATOM 0 HE3 MET A 61 5.719 -3.148 9.660 1.00 0.00 H new ATOM 943 N ILE A 62 3.236 -4.483 5.303 1.00 0.00 N ATOM 944 CA ILE A 62 1.869 -4.105 4.990 1.00 0.00 C ATOM 945 C ILE A 62 1.294 -5.087 3.967 1.00 0.00 C ATOM 946 O ILE A 62 0.153 -5.527 4.097 1.00 0.00 O ATOM 947 CB ILE A 62 1.806 -2.643 4.541 1.00 0.00 C ATOM 948 CG1 ILE A 62 2.387 -1.717 5.611 1.00 0.00 C ATOM 949 CG2 ILE A 62 0.380 -2.249 4.154 1.00 0.00 C ATOM 950 CD1 ILE A 62 1.437 -1.594 6.805 1.00 0.00 C ATOM 0 H ILE A 62 3.926 -3.745 5.162 1.00 0.00 H new ATOM 0 HA ILE A 62 1.244 -4.168 5.880 1.00 0.00 H new ATOM 0 HB ILE A 62 2.423 -2.532 3.649 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.350 -2.102 5.946 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.569 -0.731 5.184 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.364 -1.206 3.839 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.038 -2.881 3.335 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.279 -2.379 5.012 1.00 0.00 H new ATOM 0 HD11 ILE A 62 1.874 -0.930 7.551 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.483 -1.186 6.471 1.00 0.00 H new ATOM 0 HD13 ILE A 62 1.276 -2.578 7.245 1.00 0.00 H new ATOM 962 N SER A 63 2.111 -5.401 2.972 1.00 0.00 N ATOM 963 CA SER A 63 1.698 -6.323 1.927 1.00 0.00 C ATOM 964 C SER A 63 1.121 -7.596 2.551 1.00 0.00 C ATOM 965 O SER A 63 0.023 -8.022 2.195 1.00 0.00 O ATOM 966 CB SER A 63 2.868 -6.669 1.004 1.00 0.00 C ATOM 967 OG SER A 63 3.056 -5.685 -0.010 1.00 0.00 O ATOM 0 H SER A 63 3.057 -5.033 2.867 1.00 0.00 H new ATOM 0 HA SER A 63 0.928 -5.838 1.327 1.00 0.00 H new ATOM 0 HB2 SER A 63 3.780 -6.761 1.594 1.00 0.00 H new ATOM 0 HB3 SER A 63 2.689 -7.639 0.540 1.00 0.00 H new ATOM 0 HG SER A 63 3.381 -6.116 -0.828 1.00 0.00 H new ATOM 973 N ALA A 64 1.886 -8.166 3.470 1.00 0.00 N ATOM 974 CA ALA A 64 1.464 -9.381 4.145 1.00 0.00 C ATOM 975 C ALA A 64 0.101 -9.148 4.800 1.00 0.00 C ATOM 976 O ALA A 64 -0.799 -9.978 4.681 1.00 0.00 O ATOM 977 CB ALA A 64 2.532 -9.801 5.157 1.00 0.00 C ATOM 0 H ALA A 64 2.795 -7.809 3.763 1.00 0.00 H new ATOM 0 HA ALA A 64 1.352 -10.197 3.431 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.215 -10.713 5.663 1.00 0.00 H new ATOM 0 HB2 ALA A 64 3.473 -9.983 4.638 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.670 -9.007 5.891 1.00 0.00 H new ATOM 983 N SER A 65 -0.009 -8.015 5.477 1.00 0.00 N ATOM 984 CA SER A 65 -1.247 -7.662 6.151 1.00 0.00 C ATOM 985 C SER A 65 -2.405 -7.660 5.151 1.00 0.00 C ATOM 986 O SER A 65 -3.527 -8.027 5.495 1.00 0.00 O ATOM 987 CB SER A 65 -1.133 -6.297 6.833 1.00 0.00 C ATOM 988 OG SER A 65 -1.312 -6.389 8.244 1.00 0.00 O ATOM 0 H SER A 65 0.739 -7.329 5.573 1.00 0.00 H new ATOM 0 HA SER A 65 -1.442 -8.408 6.921 1.00 0.00 H new ATOM 0 HB2 SER A 65 -0.155 -5.865 6.619 1.00 0.00 H new ATOM 0 HB3 SER A 65 -1.879 -5.620 6.416 1.00 0.00 H new ATOM 0 HG SER A 65 -1.230 -5.498 8.643 1.00 0.00 H new ATOM 994 N LEU A 66 -2.092 -7.244 3.933 1.00 0.00 N ATOM 995 CA LEU A 66 -3.093 -7.190 2.881 1.00 0.00 C ATOM 996 C LEU A 66 -3.426 -8.612 2.426 1.00 0.00 C ATOM 997 O LEU A 66 -4.583 -9.027 2.471 1.00 0.00 O ATOM 998 CB LEU A 66 -2.628 -6.275 1.746 1.00 0.00 C ATOM 999 CG LEU A 66 -2.653 -4.774 2.042 1.00 0.00 C ATOM 1000 CD1 LEU A 66 -1.776 -4.005 1.052 1.00 0.00 C ATOM 1001 CD2 LEU A 66 -4.088 -4.244 2.067 1.00 0.00 C ATOM 0 H LEU A 66 -1.160 -6.941 3.651 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.017 -6.750 3.257 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -1.610 -6.555 1.474 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.254 -6.464 0.874 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.233 -4.615 3.035 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.812 -2.941 1.285 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.748 -4.358 1.126 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.143 -4.167 0.039 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -4.077 -3.175 2.279 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.557 -4.417 1.098 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.654 -4.762 2.841 1.00 0.00 H new ATOM 1013 N LEU A 67 -2.391 -9.320 1.999 1.00 0.00 N ATOM 1014 CA LEU A 67 -2.559 -10.688 1.536 1.00 0.00 C ATOM 1015 C LEU A 67 -3.299 -11.495 2.604 1.00 0.00 C ATOM 1016 O LEU A 67 -4.340 -12.090 2.328 1.00 0.00 O ATOM 1017 CB LEU A 67 -1.210 -11.288 1.137 1.00 0.00 C ATOM 1018 CG LEU A 67 -1.204 -12.791 0.848 1.00 0.00 C ATOM 1019 CD1 LEU A 67 -1.026 -13.060 -0.648 1.00 0.00 C ATOM 1020 CD2 LEU A 67 -0.145 -13.506 1.689 1.00 0.00 C ATOM 0 H LEU A 67 -1.433 -8.973 1.964 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.172 -10.713 0.635 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.851 -10.766 0.250 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.495 -11.089 1.936 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.173 -13.199 1.136 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.025 -14.135 -0.827 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.846 -12.601 -1.200 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.080 -12.636 -0.984 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.161 -14.573 1.465 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.840 -13.101 1.455 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.358 -13.354 2.747 1.00 0.00 H new ATOM 1032 N SER A 68 -2.734 -11.490 3.803 1.00 0.00 N ATOM 1033 CA SER A 68 -3.327 -12.214 4.914 1.00 0.00 C ATOM 1034 C SER A 68 -4.849 -12.062 4.884 1.00 0.00 C ATOM 1035 O SER A 68 -5.569 -13.033 4.655 1.00 0.00 O ATOM 1036 CB SER A 68 -2.771 -11.723 6.251 1.00 0.00 C ATOM 1037 OG SER A 68 -2.763 -12.752 7.237 1.00 0.00 O ATOM 0 H SER A 68 -1.871 -10.995 4.029 1.00 0.00 H new ATOM 0 HA SER A 68 -3.071 -13.268 4.811 1.00 0.00 H new ATOM 0 HB2 SER A 68 -1.757 -11.351 6.107 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.370 -10.885 6.607 1.00 0.00 H new ATOM 0 HG SER A 68 -2.399 -12.399 8.076 1.00 0.00 H new ATOM 1043 N GLU A 69 -5.294 -10.837 5.118 1.00 0.00 N ATOM 1044 CA GLU A 69 -6.718 -10.545 5.122 1.00 0.00 C ATOM 1045 C GLU A 69 -7.413 -11.281 3.974 1.00 0.00 C ATOM 1046 O GLU A 69 -8.567 -11.686 4.100 1.00 0.00 O ATOM 1047 CB GLU A 69 -6.969 -9.039 5.039 1.00 0.00 C ATOM 1048 CG GLU A 69 -6.673 -8.359 6.377 1.00 0.00 C ATOM 1049 CD GLU A 69 -7.917 -8.336 7.268 1.00 0.00 C ATOM 1050 OE1 GLU A 69 -8.896 -7.676 6.858 1.00 0.00 O ATOM 1051 OE2 GLU A 69 -7.861 -8.979 8.338 1.00 0.00 O ATOM 0 H GLU A 69 -4.694 -10.034 5.306 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.139 -10.899 6.063 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -6.342 -8.605 4.260 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.005 -8.855 4.755 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.866 -8.886 6.886 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -6.327 -7.340 6.202 1.00 0.00 H new ATOM 1058 N GLY A 70 -6.680 -11.431 2.880 1.00 0.00 N ATOM 1059 CA GLY A 70 -7.212 -12.110 1.711 1.00 0.00 C ATOM 1060 C GLY A 70 -7.458 -11.123 0.568 1.00 0.00 C ATOM 1061 O GLY A 70 -8.248 -11.398 -0.334 1.00 0.00 O ATOM 0 H GLY A 70 -5.723 -11.094 2.779 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -6.515 -12.882 1.386 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -8.144 -12.611 1.970 1.00 0.00 H new ATOM 1065 N TYR A 71 -6.768 -9.995 0.643 1.00 0.00 N ATOM 1066 CA TYR A 71 -6.902 -8.966 -0.374 1.00 0.00 C ATOM 1067 C TYR A 71 -6.080 -9.313 -1.616 1.00 0.00 C ATOM 1068 O TYR A 71 -6.304 -8.755 -2.689 1.00 0.00 O ATOM 1069 CB TYR A 71 -6.347 -7.683 0.249 1.00 0.00 C ATOM 1070 CG TYR A 71 -7.305 -7.002 1.228 1.00 0.00 C ATOM 1071 CD1 TYR A 71 -8.575 -6.649 0.818 1.00 0.00 C ATOM 1072 CD2 TYR A 71 -6.899 -6.739 2.520 1.00 0.00 C ATOM 1073 CE1 TYR A 71 -9.477 -6.008 1.739 1.00 0.00 C ATOM 1074 CE2 TYR A 71 -7.801 -6.098 3.442 1.00 0.00 C ATOM 1075 CZ TYR A 71 -9.045 -5.763 3.006 1.00 0.00 C ATOM 1076 OH TYR A 71 -9.897 -5.157 3.876 1.00 0.00 O ATOM 0 H TYR A 71 -6.114 -9.771 1.393 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.942 -8.865 -0.683 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.418 -7.916 0.769 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -6.099 -6.982 -0.548 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -8.892 -6.854 -0.194 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -5.905 -7.014 2.840 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -10.474 -5.728 1.431 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -7.496 -5.888 4.457 1.00 0.00 H new ATOM 0 HH TYR A 71 -10.820 -5.394 3.649 1.00 0.00 H new ATOM 1086 N LEU A 72 -5.144 -10.233 -1.430 1.00 0.00 N ATOM 1087 CA LEU A 72 -4.287 -10.661 -2.523 1.00 0.00 C ATOM 1088 C LEU A 72 -4.227 -12.189 -2.549 1.00 0.00 C ATOM 1089 O LEU A 72 -3.780 -12.813 -1.588 1.00 0.00 O ATOM 1090 CB LEU A 72 -2.915 -9.993 -2.420 1.00 0.00 C ATOM 1091 CG LEU A 72 -2.919 -8.470 -2.273 1.00 0.00 C ATOM 1092 CD1 LEU A 72 -1.539 -7.955 -1.859 1.00 0.00 C ATOM 1093 CD2 LEU A 72 -3.422 -7.797 -3.552 1.00 0.00 C ATOM 0 H LEU A 72 -4.960 -10.694 -0.539 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.700 -10.342 -3.480 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.389 -10.419 -1.566 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.340 -10.251 -3.309 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.613 -8.206 -1.475 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.570 -6.870 -1.762 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.257 -8.397 -0.903 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.805 -8.231 -2.617 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.415 -6.715 -3.421 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.772 -8.066 -4.385 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.438 -8.130 -3.763 1.00 0.00 H new ATOM 1105 N GLN A 73 -4.683 -12.748 -3.660 1.00 0.00 N ATOM 1106 CA GLN A 73 -4.686 -14.192 -3.825 1.00 0.00 C ATOM 1107 C GLN A 73 -3.398 -14.652 -4.509 1.00 0.00 C ATOM 1108 O GLN A 73 -2.916 -14.000 -5.435 1.00 0.00 O ATOM 1109 CB GLN A 73 -5.917 -14.652 -4.608 1.00 0.00 C ATOM 1110 CG GLN A 73 -7.185 -14.524 -3.762 1.00 0.00 C ATOM 1111 CD GLN A 73 -7.285 -15.664 -2.746 1.00 0.00 C ATOM 1112 OE1 GLN A 73 -7.715 -16.765 -3.051 1.00 0.00 O ATOM 1113 NE2 GLN A 73 -6.865 -15.341 -1.527 1.00 0.00 N ATOM 0 H GLN A 73 -5.053 -12.227 -4.455 1.00 0.00 H new ATOM 0 HA GLN A 73 -4.732 -14.650 -2.837 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -6.019 -14.056 -5.515 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -5.787 -15.688 -4.920 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -7.183 -13.567 -3.241 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -8.061 -14.532 -4.410 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -6.517 -14.401 -1.340 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -6.891 -16.033 -0.779 1.00 0.00 H new ATOM 1122 N PRO A 74 -2.861 -15.799 -4.015 1.00 0.00 N ATOM 1123 CA PRO A 74 -1.638 -16.353 -4.569 1.00 0.00 C ATOM 1124 C PRO A 74 -1.900 -17.018 -5.922 1.00 0.00 C ATOM 1125 O PRO A 74 -2.946 -17.634 -6.122 1.00 0.00 O ATOM 1126 CB PRO A 74 -1.135 -17.328 -3.516 1.00 0.00 C ATOM 1127 CG PRO A 74 -2.328 -17.630 -2.624 1.00 0.00 C ATOM 1128 CD PRO A 74 -3.404 -16.597 -2.919 1.00 0.00 C ATOM 0 HA PRO A 74 -0.888 -15.590 -4.777 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -0.752 -18.238 -3.978 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -0.317 -16.894 -2.941 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -2.702 -18.636 -2.814 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -2.039 -17.591 -1.574 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -4.343 -17.073 -3.203 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -3.611 -15.980 -2.045 1.00 0.00 H new ATOM 1136 N ALA A 75 -0.933 -16.870 -6.815 1.00 0.00 N ATOM 1137 CA ALA A 75 -1.047 -17.448 -8.144 1.00 0.00 C ATOM 1138 C ALA A 75 0.244 -18.198 -8.481 1.00 0.00 C ATOM 1139 O ALA A 75 1.265 -17.580 -8.779 1.00 0.00 O ATOM 1140 CB ALA A 75 -1.361 -16.345 -9.156 1.00 0.00 C ATOM 0 H ALA A 75 -0.067 -16.358 -6.645 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.866 -18.166 -8.181 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.446 -16.779 -10.152 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -2.301 -15.863 -8.888 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.560 -15.606 -9.149 1.00 0.00 H new ATOM 1146 N GLY A 76 0.156 -19.519 -8.422 1.00 0.00 N ATOM 1147 CA GLY A 76 1.304 -20.359 -8.717 1.00 0.00 C ATOM 1148 C GLY A 76 1.613 -21.296 -7.547 1.00 0.00 C ATOM 1149 O GLY A 76 0.712 -21.696 -6.813 1.00 0.00 O ATOM 0 H GLY A 76 -0.693 -20.028 -8.174 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.109 -20.945 -9.615 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.172 -19.734 -8.926 1.00 0.00 H new ATOM 1153 N ASP A 77 2.891 -21.618 -7.411 1.00 0.00 N ATOM 1154 CA ASP A 77 3.331 -22.500 -6.344 1.00 0.00 C ATOM 1155 C ASP A 77 4.117 -21.691 -5.311 1.00 0.00 C ATOM 1156 O ASP A 77 3.903 -21.838 -4.108 1.00 0.00 O ATOM 1157 CB ASP A 77 4.248 -23.601 -6.881 1.00 0.00 C ATOM 1158 CG ASP A 77 3.796 -25.029 -6.569 1.00 0.00 C ATOM 1159 OD1 ASP A 77 2.567 -25.253 -6.591 1.00 0.00 O ATOM 1160 OD2 ASP A 77 4.691 -25.864 -6.315 1.00 0.00 O ATOM 0 H ASP A 77 3.636 -21.284 -8.022 1.00 0.00 H new ATOM 0 HA ASP A 77 2.447 -22.954 -5.897 1.00 0.00 H new ATOM 0 HB2 ASP A 77 4.329 -23.490 -7.962 1.00 0.00 H new ATOM 0 HB3 ASP A 77 5.247 -23.454 -6.469 1.00 0.00 H new ATOM 1165 N LEU A 78 5.012 -20.855 -5.817 1.00 0.00 N ATOM 1166 CA LEU A 78 5.832 -20.023 -4.954 1.00 0.00 C ATOM 1167 C LEU A 78 4.942 -19.353 -3.905 1.00 0.00 C ATOM 1168 O LEU A 78 4.987 -19.710 -2.728 1.00 0.00 O ATOM 1169 CB LEU A 78 6.654 -19.035 -5.784 1.00 0.00 C ATOM 1170 CG LEU A 78 7.780 -18.311 -5.044 1.00 0.00 C ATOM 1171 CD1 LEU A 78 8.841 -17.803 -6.023 1.00 0.00 C ATOM 1172 CD2 LEU A 78 7.226 -17.189 -4.165 1.00 0.00 C ATOM 0 H LEU A 78 5.187 -20.736 -6.815 1.00 0.00 H new ATOM 0 HA LEU A 78 6.558 -20.632 -4.416 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.087 -19.572 -6.628 1.00 0.00 H new ATOM 0 HB3 LEU A 78 5.977 -18.287 -6.196 1.00 0.00 H new ATOM 0 HG LEU A 78 8.269 -19.026 -4.382 1.00 0.00 H new ATOM 0 HD11 LEU A 78 9.630 -17.292 -5.471 1.00 0.00 H new ATOM 0 HD12 LEU A 78 9.266 -18.646 -6.568 1.00 0.00 H new ATOM 0 HD13 LEU A 78 8.383 -17.109 -6.728 1.00 0.00 H new ATOM 0 HD21 LEU A 78 8.048 -16.691 -3.650 1.00 0.00 H new ATOM 0 HD22 LEU A 78 6.696 -16.467 -4.787 1.00 0.00 H new ATOM 0 HD23 LEU A 78 6.539 -17.608 -3.430 1.00 0.00 H new ATOM 1184 N SER A 79 4.155 -18.393 -4.368 1.00 0.00 N ATOM 1185 CA SER A 79 3.257 -17.670 -3.485 1.00 0.00 C ATOM 1186 C SER A 79 2.529 -18.649 -2.562 1.00 0.00 C ATOM 1187 O SER A 79 2.504 -18.461 -1.347 1.00 0.00 O ATOM 1188 CB SER A 79 2.247 -16.843 -4.283 1.00 0.00 C ATOM 1189 OG SER A 79 1.455 -17.654 -5.145 1.00 0.00 O ATOM 0 H SER A 79 4.121 -18.099 -5.344 1.00 0.00 H new ATOM 0 HA SER A 79 3.851 -16.984 -2.881 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.597 -16.303 -3.595 1.00 0.00 H new ATOM 0 HB3 SER A 79 2.777 -16.096 -4.874 1.00 0.00 H new ATOM 0 HG SER A 79 1.585 -17.369 -6.073 1.00 0.00 H new ATOM 1195 N LYS A 80 1.954 -19.674 -3.175 1.00 0.00 N ATOM 1196 CA LYS A 80 1.228 -20.684 -2.424 1.00 0.00 C ATOM 1197 C LYS A 80 2.038 -21.073 -1.186 1.00 0.00 C ATOM 1198 O LYS A 80 1.568 -20.924 -0.059 1.00 0.00 O ATOM 1199 CB LYS A 80 0.872 -21.869 -3.324 1.00 0.00 C ATOM 1200 CG LYS A 80 -0.560 -21.748 -3.849 1.00 0.00 C ATOM 1201 CD LYS A 80 -0.971 -23.007 -4.615 1.00 0.00 C ATOM 1202 CE LYS A 80 -2.278 -23.581 -4.064 1.00 0.00 C ATOM 1203 NZ LYS A 80 -2.619 -24.846 -4.751 1.00 0.00 N ATOM 0 H LYS A 80 1.976 -19.826 -4.183 1.00 0.00 H new ATOM 0 HA LYS A 80 0.277 -20.286 -2.071 1.00 0.00 H new ATOM 0 HB2 LYS A 80 1.568 -21.916 -4.162 1.00 0.00 H new ATOM 0 HB3 LYS A 80 0.981 -22.799 -2.767 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -1.244 -21.585 -3.016 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -0.640 -20.879 -4.502 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -1.090 -22.771 -5.672 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -0.182 -23.755 -4.542 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -2.182 -23.757 -2.993 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -3.084 -22.859 -4.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -3.509 -25.222 -4.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -2.731 -24.669 -5.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -1.857 -25.538 -4.602 1.00 0.00 H new ATOM 1217 N ASN A 81 3.243 -21.565 -1.437 1.00 0.00 N ATOM 1218 CA ASN A 81 4.123 -21.977 -0.357 1.00 0.00 C ATOM 1219 C ASN A 81 4.271 -20.828 0.642 1.00 0.00 C ATOM 1220 O ASN A 81 4.193 -21.038 1.852 1.00 0.00 O ATOM 1221 CB ASN A 81 5.516 -22.327 -0.884 1.00 0.00 C ATOM 1222 CG ASN A 81 5.598 -23.803 -1.279 1.00 0.00 C ATOM 1223 OD1 ASN A 81 5.717 -24.689 -0.448 1.00 0.00 O ATOM 1224 ND2 ASN A 81 5.528 -24.018 -2.589 1.00 0.00 N ATOM 0 H ASN A 81 3.630 -21.687 -2.373 1.00 0.00 H new ATOM 0 HA ASN A 81 3.685 -22.856 0.117 1.00 0.00 H new ATOM 0 HB2 ASN A 81 5.750 -21.703 -1.746 1.00 0.00 H new ATOM 0 HB3 ASN A 81 6.263 -22.109 -0.121 1.00 0.00 H new ATOM 0 HD21 ASN A 81 5.574 -24.970 -2.953 1.00 0.00 H new ATOM 0 HD22 ASN A 81 5.429 -23.231 -3.230 1.00 0.00 H new ATOM 1231 N ALA A 82 4.480 -19.638 0.099 1.00 0.00 N ATOM 1232 CA ALA A 82 4.640 -18.455 0.927 1.00 0.00 C ATOM 1233 C ALA A 82 3.495 -18.388 1.940 1.00 0.00 C ATOM 1234 O ALA A 82 3.731 -18.318 3.145 1.00 0.00 O ATOM 1235 CB ALA A 82 4.702 -17.212 0.036 1.00 0.00 C ATOM 0 H ALA A 82 4.542 -19.468 -0.905 1.00 0.00 H new ATOM 0 HA ALA A 82 5.574 -18.503 1.487 1.00 0.00 H new ATOM 0 HB1 ALA A 82 4.822 -16.325 0.657 1.00 0.00 H new ATOM 0 HB2 ALA A 82 5.548 -17.295 -0.646 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.780 -17.130 -0.539 1.00 0.00 H new ATOM 1241 N ALA A 83 2.279 -18.413 1.413 1.00 0.00 N ATOM 1242 CA ALA A 83 1.097 -18.357 2.256 1.00 0.00 C ATOM 1243 C ALA A 83 0.663 -19.780 2.613 1.00 0.00 C ATOM 1244 O ALA A 83 -0.483 -20.160 2.379 1.00 0.00 O ATOM 1245 CB ALA A 83 -0.005 -17.573 1.540 1.00 0.00 C ATOM 0 H ALA A 83 2.087 -18.471 0.413 1.00 0.00 H new ATOM 0 HA ALA A 83 1.315 -17.835 3.188 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.892 -17.531 2.173 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.343 -16.560 1.336 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.252 -18.068 0.601 1.00 0.00 H new ATOM 1251 N ASP A 84 1.601 -20.527 3.175 1.00 0.00 N ATOM 1252 CA ASP A 84 1.329 -21.900 3.567 1.00 0.00 C ATOM 1253 C ASP A 84 1.907 -22.151 4.961 1.00 0.00 C ATOM 1254 O ASP A 84 1.176 -22.509 5.885 1.00 0.00 O ATOM 1255 CB ASP A 84 1.983 -22.889 2.600 1.00 0.00 C ATOM 1256 CG ASP A 84 1.530 -24.342 2.756 1.00 0.00 C ATOM 1257 OD1 ASP A 84 0.354 -24.532 3.134 1.00 0.00 O ATOM 1258 OD2 ASP A 84 2.371 -25.229 2.494 1.00 0.00 O ATOM 0 H ASP A 84 2.550 -20.208 3.369 1.00 0.00 H new ATOM 0 HA ASP A 84 0.249 -22.046 3.557 1.00 0.00 H new ATOM 0 HB2 ASP A 84 1.775 -22.567 1.579 1.00 0.00 H new ATOM 0 HB3 ASP A 84 3.064 -22.845 2.735 1.00 0.00 H new ATOM 1263 N GLY A 85 3.212 -21.955 5.071 1.00 0.00 N ATOM 1264 CA GLY A 85 3.896 -22.156 6.337 1.00 0.00 C ATOM 1265 C GLY A 85 5.406 -21.958 6.183 1.00 0.00 C ATOM 1266 O GLY A 85 6.195 -22.680 6.789 1.00 0.00 O ATOM 0 H GLY A 85 3.815 -21.659 4.303 1.00 0.00 H new ATOM 0 HA2 GLY A 85 3.508 -21.458 7.079 1.00 0.00 H new ATOM 0 HA3 GLY A 85 3.693 -23.161 6.708 1.00 0.00 H new ATOM 1270 N ILE A 86 5.761 -20.977 5.367 1.00 0.00 N ATOM 1271 CA ILE A 86 7.162 -20.675 5.125 1.00 0.00 C ATOM 1272 C ILE A 86 7.785 -20.111 6.403 1.00 0.00 C ATOM 1273 O ILE A 86 8.624 -20.759 7.028 1.00 0.00 O ATOM 1274 CB ILE A 86 7.310 -19.755 3.911 1.00 0.00 C ATOM 1275 CG1 ILE A 86 7.317 -20.561 2.611 1.00 0.00 C ATOM 1276 CG2 ILE A 86 8.550 -18.869 4.043 1.00 0.00 C ATOM 1277 CD1 ILE A 86 8.556 -21.455 2.526 1.00 0.00 C ATOM 0 H ILE A 86 5.103 -20.381 4.865 1.00 0.00 H new ATOM 0 HA ILE A 86 7.710 -21.584 4.876 1.00 0.00 H new ATOM 0 HB ILE A 86 6.444 -19.094 3.875 1.00 0.00 H new ATOM 0 HG12 ILE A 86 6.417 -21.174 2.554 1.00 0.00 H new ATOM 0 HG13 ILE A 86 7.295 -19.882 1.758 1.00 0.00 H new ATOM 0 HG21 ILE A 86 8.632 -18.225 3.167 1.00 0.00 H new ATOM 0 HG22 ILE A 86 8.464 -18.254 4.939 1.00 0.00 H new ATOM 0 HG23 ILE A 86 9.439 -19.496 4.117 1.00 0.00 H new ATOM 0 HD11 ILE A 86 8.536 -22.017 1.592 1.00 0.00 H new ATOM 0 HD12 ILE A 86 9.453 -20.837 2.558 1.00 0.00 H new ATOM 0 HD13 ILE A 86 8.563 -22.149 3.367 1.00 0.00 H new ATOM 1289 N ALA A 87 7.352 -18.909 6.755 1.00 0.00 N ATOM 1290 CA ALA A 87 7.858 -18.250 7.947 1.00 0.00 C ATOM 1291 C ALA A 87 6.748 -17.395 8.562 1.00 0.00 C ATOM 1292 O ALA A 87 5.576 -17.766 8.516 1.00 0.00 O ATOM 1293 CB ALA A 87 9.097 -17.427 7.589 1.00 0.00 C ATOM 0 H ALA A 87 6.656 -18.374 6.235 1.00 0.00 H new ATOM 0 HA ALA A 87 8.160 -18.985 8.693 1.00 0.00 H new ATOM 0 HB1 ALA A 87 9.476 -16.933 8.483 1.00 0.00 H new ATOM 0 HB2 ALA A 87 9.866 -18.085 7.184 1.00 0.00 H new ATOM 0 HB3 ALA A 87 8.832 -16.676 6.844 1.00 0.00 H new ATOM 1299 N GLU A 88 7.156 -16.266 9.122 1.00 0.00 N ATOM 1300 CA GLU A 88 6.211 -15.355 9.745 1.00 0.00 C ATOM 1301 C GLU A 88 5.756 -14.294 8.741 1.00 0.00 C ATOM 1302 O GLU A 88 5.090 -13.329 9.112 1.00 0.00 O ATOM 1303 CB GLU A 88 6.815 -14.707 10.993 1.00 0.00 C ATOM 1304 CG GLU A 88 5.869 -14.834 12.189 1.00 0.00 C ATOM 1305 CD GLU A 88 5.014 -13.576 12.348 1.00 0.00 C ATOM 1306 OE1 GLU A 88 5.615 -12.480 12.365 1.00 0.00 O ATOM 1307 OE2 GLU A 88 3.779 -13.738 12.450 1.00 0.00 O ATOM 0 H GLU A 88 8.129 -15.961 9.157 1.00 0.00 H new ATOM 0 HA GLU A 88 5.338 -15.927 10.060 1.00 0.00 H new ATOM 0 HB2 GLU A 88 7.769 -15.180 11.227 1.00 0.00 H new ATOM 0 HB3 GLU A 88 7.021 -13.655 10.797 1.00 0.00 H new ATOM 0 HG2 GLU A 88 5.224 -15.702 12.056 1.00 0.00 H new ATOM 0 HG3 GLU A 88 6.447 -15.003 13.098 1.00 0.00 H new ATOM 1314 N ASN A 89 6.133 -14.510 7.489 1.00 0.00 N ATOM 1315 CA ASN A 89 5.772 -13.584 6.429 1.00 0.00 C ATOM 1316 C ASN A 89 5.287 -14.373 5.212 1.00 0.00 C ATOM 1317 O ASN A 89 6.073 -15.052 4.554 1.00 0.00 O ATOM 1318 CB ASN A 89 6.975 -12.743 5.999 1.00 0.00 C ATOM 1319 CG ASN A 89 7.096 -11.480 6.853 1.00 0.00 C ATOM 1320 OD1 ASN A 89 7.075 -11.520 8.073 1.00 0.00 O ATOM 1321 ND2 ASN A 89 7.221 -10.359 6.148 1.00 0.00 N ATOM 0 H ASN A 89 6.685 -15.312 7.185 1.00 0.00 H new ATOM 0 HA ASN A 89 4.990 -12.926 6.808 1.00 0.00 H new ATOM 0 HB2 ASN A 89 7.886 -13.334 6.087 1.00 0.00 H new ATOM 0 HB3 ASN A 89 6.874 -12.468 4.949 1.00 0.00 H new ATOM 0 HD21 ASN A 89 7.307 -9.462 6.627 1.00 0.00 H new ATOM 0 HD22 ASN A 89 7.231 -10.396 5.129 1.00 0.00 H new ATOM 1328 N PRO A 90 3.959 -14.255 4.942 1.00 0.00 N ATOM 1329 CA PRO A 90 3.360 -14.949 3.815 1.00 0.00 C ATOM 1330 C PRO A 90 3.725 -14.268 2.494 1.00 0.00 C ATOM 1331 O PRO A 90 3.844 -14.929 1.463 1.00 0.00 O ATOM 1332 CB PRO A 90 1.866 -14.939 4.096 1.00 0.00 C ATOM 1333 CG PRO A 90 1.643 -13.842 5.124 1.00 0.00 C ATOM 1334 CD PRO A 90 2.997 -13.460 5.699 1.00 0.00 C ATOM 0 HA PRO A 90 3.725 -15.971 3.708 1.00 0.00 H new ATOM 0 HB2 PRO A 90 1.299 -14.743 3.186 1.00 0.00 H new ATOM 0 HB3 PRO A 90 1.534 -15.905 4.477 1.00 0.00 H new ATOM 0 HG2 PRO A 90 1.167 -12.977 4.662 1.00 0.00 H new ATOM 0 HG3 PRO A 90 0.977 -14.189 5.914 1.00 0.00 H new ATOM 0 HD2 PRO A 90 3.189 -12.393 5.585 1.00 0.00 H new ATOM 0 HD3 PRO A 90 3.051 -13.682 6.765 1.00 0.00 H new ATOM 1342 N PHE A 91 3.891 -12.956 2.568 1.00 0.00 N ATOM 1343 CA PHE A 91 4.240 -12.179 1.391 1.00 0.00 C ATOM 1344 C PHE A 91 5.743 -12.245 1.116 1.00 0.00 C ATOM 1345 O PHE A 91 6.546 -12.313 2.045 1.00 0.00 O ATOM 1346 CB PHE A 91 3.851 -10.728 1.682 1.00 0.00 C ATOM 1347 CG PHE A 91 3.525 -9.908 0.432 1.00 0.00 C ATOM 1348 CD1 PHE A 91 2.308 -10.031 -0.163 1.00 0.00 C ATOM 1349 CD2 PHE A 91 4.452 -9.057 -0.084 1.00 0.00 C ATOM 1350 CE1 PHE A 91 2.006 -9.270 -1.324 1.00 0.00 C ATOM 1351 CE2 PHE A 91 4.150 -8.296 -1.244 1.00 0.00 C ATOM 1352 CZ PHE A 91 2.933 -8.419 -1.839 1.00 0.00 C ATOM 0 H PHE A 91 3.790 -12.411 3.425 1.00 0.00 H new ATOM 0 HA PHE A 91 3.720 -12.573 0.518 1.00 0.00 H new ATOM 0 HB2 PHE A 91 2.986 -10.721 2.345 1.00 0.00 H new ATOM 0 HB3 PHE A 91 4.667 -10.244 2.218 1.00 0.00 H new ATOM 0 HD1 PHE A 91 1.572 -10.707 0.247 1.00 0.00 H new ATOM 0 HD2 PHE A 91 5.418 -8.960 0.389 1.00 0.00 H new ATOM 0 HE1 PHE A 91 1.040 -9.367 -1.797 1.00 0.00 H new ATOM 0 HE2 PHE A 91 4.886 -7.620 -1.654 1.00 0.00 H new ATOM 0 HZ PHE A 91 2.703 -7.840 -2.721 1.00 0.00 H new ATOM 1362 N LEU A 92 6.079 -12.224 -0.166 1.00 0.00 N ATOM 1363 CA LEU A 92 7.472 -12.281 -0.575 1.00 0.00 C ATOM 1364 C LEU A 92 7.786 -11.080 -1.469 1.00 0.00 C ATOM 1365 O LEU A 92 7.294 -10.993 -2.593 1.00 0.00 O ATOM 1366 CB LEU A 92 7.785 -13.630 -1.226 1.00 0.00 C ATOM 1367 CG LEU A 92 7.624 -14.860 -0.330 1.00 0.00 C ATOM 1368 CD1 LEU A 92 7.626 -16.146 -1.158 1.00 0.00 C ATOM 1369 CD2 LEU A 92 8.691 -14.882 0.767 1.00 0.00 C ATOM 0 H LEU A 92 5.411 -12.168 -0.934 1.00 0.00 H new ATOM 0 HA LEU A 92 8.127 -12.213 0.294 1.00 0.00 H new ATOM 0 HB2 LEU A 92 7.138 -13.751 -2.095 1.00 0.00 H new ATOM 0 HB3 LEU A 92 8.811 -13.604 -1.594 1.00 0.00 H new ATOM 0 HG LEU A 92 6.655 -14.798 0.165 1.00 0.00 H new ATOM 0 HD11 LEU A 92 7.510 -17.005 -0.497 1.00 0.00 H new ATOM 0 HD12 LEU A 92 6.801 -16.122 -1.869 1.00 0.00 H new ATOM 0 HD13 LEU A 92 8.569 -16.229 -1.699 1.00 0.00 H new ATOM 0 HD21 LEU A 92 8.554 -15.766 1.390 1.00 0.00 H new ATOM 0 HD22 LEU A 92 9.681 -14.909 0.311 1.00 0.00 H new ATOM 0 HD23 LEU A 92 8.599 -13.987 1.382 1.00 0.00 H new ATOM 1381 N ASP A 93 8.603 -10.183 -0.936 1.00 0.00 N ATOM 1382 CA ASP A 93 8.989 -8.991 -1.672 1.00 0.00 C ATOM 1383 C ASP A 93 9.875 -9.390 -2.853 1.00 0.00 C ATOM 1384 O ASP A 93 11.074 -9.112 -2.857 1.00 0.00 O ATOM 1385 CB ASP A 93 9.785 -8.030 -0.787 1.00 0.00 C ATOM 1386 CG ASP A 93 10.372 -6.818 -1.512 1.00 0.00 C ATOM 1387 OD1 ASP A 93 9.838 -6.491 -2.594 1.00 0.00 O ATOM 1388 OD2 ASP A 93 11.340 -6.245 -0.968 1.00 0.00 O ATOM 0 H ASP A 93 9.008 -10.258 -0.003 1.00 0.00 H new ATOM 0 HA ASP A 93 8.079 -8.497 -2.013 1.00 0.00 H new ATOM 0 HB2 ASP A 93 9.136 -7.676 0.014 1.00 0.00 H new ATOM 0 HB3 ASP A 93 10.599 -8.582 -0.317 1.00 0.00 H new ATOM 1393 N SER A 94 9.252 -10.036 -3.828 1.00 0.00 N ATOM 1394 CA SER A 94 9.970 -10.476 -5.012 1.00 0.00 C ATOM 1395 C SER A 94 9.118 -10.237 -6.260 1.00 0.00 C ATOM 1396 O SER A 94 7.891 -10.313 -6.203 1.00 0.00 O ATOM 1397 CB SER A 94 10.352 -11.954 -4.907 1.00 0.00 C ATOM 1398 OG SER A 94 11.564 -12.242 -5.599 1.00 0.00 O ATOM 0 H SER A 94 8.258 -10.265 -3.822 1.00 0.00 H new ATOM 0 HA SER A 94 10.889 -9.895 -5.090 1.00 0.00 H new ATOM 0 HB2 SER A 94 10.460 -12.227 -3.857 1.00 0.00 H new ATOM 0 HB3 SER A 94 9.548 -12.566 -5.314 1.00 0.00 H new ATOM 0 HG SER A 94 11.775 -13.195 -5.507 1.00 0.00 H new ATOM 1404 N PRO A 95 9.819 -9.943 -7.388 1.00 0.00 N ATOM 1405 CA PRO A 95 9.140 -9.692 -8.647 1.00 0.00 C ATOM 1406 C PRO A 95 8.627 -10.995 -9.264 1.00 0.00 C ATOM 1407 O PRO A 95 7.912 -10.973 -10.264 1.00 0.00 O ATOM 1408 CB PRO A 95 10.170 -8.989 -9.516 1.00 0.00 C ATOM 1409 CG PRO A 95 11.521 -9.287 -8.885 1.00 0.00 C ATOM 1410 CD PRO A 95 11.272 -9.844 -7.493 1.00 0.00 C ATOM 0 HA PRO A 95 8.250 -9.074 -8.528 1.00 0.00 H new ATOM 0 HB2 PRO A 95 10.129 -9.354 -10.542 1.00 0.00 H new ATOM 0 HB3 PRO A 95 9.984 -7.916 -9.552 1.00 0.00 H new ATOM 0 HG2 PRO A 95 12.075 -10.005 -9.490 1.00 0.00 H new ATOM 0 HG3 PRO A 95 12.125 -8.382 -8.831 1.00 0.00 H new ATOM 0 HD2 PRO A 95 11.746 -10.817 -7.365 1.00 0.00 H new ATOM 0 HD3 PRO A 95 11.681 -9.188 -6.725 1.00 0.00 H new ATOM 1418 N ASP A 96 9.012 -12.099 -8.640 1.00 0.00 N ATOM 1419 CA ASP A 96 8.600 -13.409 -9.115 1.00 0.00 C ATOM 1420 C ASP A 96 7.197 -13.719 -8.589 1.00 0.00 C ATOM 1421 O ASP A 96 6.270 -13.930 -9.370 1.00 0.00 O ATOM 1422 CB ASP A 96 9.545 -14.500 -8.609 1.00 0.00 C ATOM 1423 CG ASP A 96 10.624 -14.933 -9.604 1.00 0.00 C ATOM 1424 OD1 ASP A 96 10.683 -14.307 -10.685 1.00 0.00 O ATOM 1425 OD2 ASP A 96 11.365 -15.880 -9.262 1.00 0.00 O ATOM 0 H ASP A 96 9.605 -12.113 -7.810 1.00 0.00 H new ATOM 0 HA ASP A 96 8.617 -13.393 -10.205 1.00 0.00 H new ATOM 0 HB2 ASP A 96 10.031 -14.146 -7.700 1.00 0.00 H new ATOM 0 HB3 ASP A 96 8.954 -15.373 -8.334 1.00 0.00 H new ATOM 1430 N ALA A 97 7.084 -13.736 -7.269 1.00 0.00 N ATOM 1431 CA ALA A 97 5.810 -14.016 -6.630 1.00 0.00 C ATOM 1432 C ALA A 97 4.721 -13.155 -7.273 1.00 0.00 C ATOM 1433 O ALA A 97 4.879 -11.942 -7.401 1.00 0.00 O ATOM 1434 CB ALA A 97 5.929 -13.775 -5.124 1.00 0.00 C ATOM 0 H ALA A 97 7.855 -13.560 -6.624 1.00 0.00 H new ATOM 0 HA ALA A 97 5.532 -15.060 -6.772 1.00 0.00 H new ATOM 0 HB1 ALA A 97 4.973 -13.985 -4.645 1.00 0.00 H new ATOM 0 HB2 ALA A 97 6.694 -14.431 -4.710 1.00 0.00 H new ATOM 0 HB3 ALA A 97 6.205 -12.736 -4.942 1.00 0.00 H new ATOM 1440 N PHE A 98 3.641 -13.816 -7.662 1.00 0.00 N ATOM 1441 CA PHE A 98 2.526 -13.126 -8.289 1.00 0.00 C ATOM 1442 C PHE A 98 1.266 -13.223 -7.427 1.00 0.00 C ATOM 1443 O PHE A 98 1.051 -14.224 -6.746 1.00 0.00 O ATOM 1444 CB PHE A 98 2.268 -13.820 -9.628 1.00 0.00 C ATOM 1445 CG PHE A 98 3.534 -14.096 -10.441 1.00 0.00 C ATOM 1446 CD1 PHE A 98 4.046 -13.132 -11.252 1.00 0.00 C ATOM 1447 CD2 PHE A 98 4.148 -15.307 -10.352 1.00 0.00 C ATOM 1448 CE1 PHE A 98 5.222 -13.389 -12.006 1.00 0.00 C ATOM 1449 CE2 PHE A 98 5.323 -15.564 -11.106 1.00 0.00 C ATOM 1450 CZ PHE A 98 5.836 -14.599 -11.917 1.00 0.00 C ATOM 0 H PHE A 98 3.514 -14.822 -7.555 1.00 0.00 H new ATOM 0 HA PHE A 98 2.766 -12.070 -8.416 1.00 0.00 H new ATOM 0 HB2 PHE A 98 1.755 -14.764 -9.443 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.595 -13.202 -10.222 1.00 0.00 H new ATOM 0 HD1 PHE A 98 3.558 -12.171 -11.323 1.00 0.00 H new ATOM 0 HD2 PHE A 98 3.741 -16.073 -9.708 1.00 0.00 H new ATOM 0 HE1 PHE A 98 5.629 -12.623 -12.650 1.00 0.00 H new ATOM 0 HE2 PHE A 98 5.810 -16.525 -11.036 1.00 0.00 H new ATOM 0 HZ PHE A 98 6.731 -14.794 -12.490 1.00 0.00 H new ATOM 1460 N TYR A 99 0.466 -12.168 -7.484 1.00 0.00 N ATOM 1461 CA TYR A 99 -0.767 -12.122 -6.717 1.00 0.00 C ATOM 1462 C TYR A 99 -1.838 -11.311 -7.449 1.00 0.00 C ATOM 1463 O TYR A 99 -1.523 -10.510 -8.328 1.00 0.00 O ATOM 1464 CB TYR A 99 -0.420 -11.416 -5.404 1.00 0.00 C ATOM 1465 CG TYR A 99 0.447 -12.251 -4.459 1.00 0.00 C ATOM 1466 CD1 TYR A 99 -0.083 -13.364 -3.838 1.00 0.00 C ATOM 1467 CD2 TYR A 99 1.760 -11.892 -4.229 1.00 0.00 C ATOM 1468 CE1 TYR A 99 0.733 -14.149 -2.949 1.00 0.00 C ATOM 1469 CE2 TYR A 99 2.576 -12.677 -3.340 1.00 0.00 C ATOM 1470 CZ TYR A 99 2.022 -13.767 -2.744 1.00 0.00 C ATOM 1471 OH TYR A 99 2.793 -14.509 -1.904 1.00 0.00 O ATOM 0 H TYR A 99 0.648 -11.339 -8.049 1.00 0.00 H new ATOM 0 HA TYR A 99 -1.160 -13.127 -6.561 1.00 0.00 H new ATOM 0 HB2 TYR A 99 0.100 -10.485 -5.630 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -1.344 -11.149 -4.892 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -1.110 -13.646 -4.019 1.00 0.00 H new ATOM 0 HD2 TYR A 99 2.175 -11.022 -4.716 1.00 0.00 H new ATOM 0 HE1 TYR A 99 0.331 -15.022 -2.456 1.00 0.00 H new ATOM 0 HE2 TYR A 99 3.604 -12.407 -3.151 1.00 0.00 H new ATOM 0 HH TYR A 99 3.691 -14.119 -1.854 1.00 0.00 H new ATOM 1481 N TYR A 100 -3.082 -11.548 -7.061 1.00 0.00 N ATOM 1482 CA TYR A 100 -4.202 -10.851 -7.669 1.00 0.00 C ATOM 1483 C TYR A 100 -5.333 -10.643 -6.660 1.00 0.00 C ATOM 1484 O TYR A 100 -5.290 -11.182 -5.555 1.00 0.00 O ATOM 1485 CB TYR A 100 -4.701 -11.757 -8.797 1.00 0.00 C ATOM 1486 CG TYR A 100 -5.108 -13.158 -8.335 1.00 0.00 C ATOM 1487 CD1 TYR A 100 -4.148 -14.134 -8.166 1.00 0.00 C ATOM 1488 CD2 TYR A 100 -6.435 -13.444 -8.088 1.00 0.00 C ATOM 1489 CE1 TYR A 100 -4.530 -15.453 -7.732 1.00 0.00 C ATOM 1490 CE2 TYR A 100 -6.818 -14.763 -7.653 1.00 0.00 C ATOM 1491 CZ TYR A 100 -5.847 -15.702 -7.497 1.00 0.00 C ATOM 1492 OH TYR A 100 -6.208 -16.947 -7.087 1.00 0.00 O ATOM 0 H TYR A 100 -3.339 -12.214 -6.332 1.00 0.00 H new ATOM 0 HA TYR A 100 -3.893 -9.869 -8.027 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -5.555 -11.282 -9.280 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -3.918 -11.847 -9.550 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -3.110 -13.909 -8.359 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -7.186 -12.679 -8.221 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -3.789 -16.226 -7.596 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -7.853 -15.001 -7.455 1.00 0.00 H new ATOM 0 HH TYR A 100 -7.179 -16.980 -6.957 1.00 0.00 H new ATOM 1502 N PHE A 101 -6.318 -9.861 -7.076 1.00 0.00 N ATOM 1503 CA PHE A 101 -7.459 -9.575 -6.222 1.00 0.00 C ATOM 1504 C PHE A 101 -8.569 -10.607 -6.427 1.00 0.00 C ATOM 1505 O PHE A 101 -8.805 -11.056 -7.548 1.00 0.00 O ATOM 1506 CB PHE A 101 -7.982 -8.194 -6.621 1.00 0.00 C ATOM 1507 CG PHE A 101 -6.898 -7.117 -6.701 1.00 0.00 C ATOM 1508 CD1 PHE A 101 -6.009 -6.970 -5.683 1.00 0.00 C ATOM 1509 CD2 PHE A 101 -6.823 -6.308 -7.792 1.00 0.00 C ATOM 1510 CE1 PHE A 101 -5.003 -5.970 -5.757 1.00 0.00 C ATOM 1511 CE2 PHE A 101 -5.817 -5.309 -7.866 1.00 0.00 C ATOM 1512 CZ PHE A 101 -4.928 -5.161 -6.848 1.00 0.00 C ATOM 0 H PHE A 101 -6.350 -9.416 -7.993 1.00 0.00 H new ATOM 0 HA PHE A 101 -7.158 -9.608 -5.175 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -8.476 -8.270 -7.589 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -8.738 -7.881 -5.901 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -6.068 -7.614 -4.818 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -7.528 -6.426 -8.601 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -4.298 -5.852 -4.947 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -5.758 -4.666 -8.732 1.00 0.00 H new ATOM 0 HZ PHE A 101 -4.162 -4.401 -6.906 1.00 0.00 H new ATOM 1522 N PRO A 102 -9.240 -10.962 -5.298 1.00 0.00 N ATOM 1523 CA PRO A 102 -10.320 -11.933 -5.343 1.00 0.00 C ATOM 1524 C PRO A 102 -11.586 -11.317 -5.942 1.00 0.00 C ATOM 1525 O PRO A 102 -12.560 -11.076 -5.231 1.00 0.00 O ATOM 1526 CB PRO A 102 -10.503 -12.385 -3.904 1.00 0.00 C ATOM 1527 CG PRO A 102 -9.843 -11.319 -3.045 1.00 0.00 C ATOM 1528 CD PRO A 102 -8.988 -10.452 -3.954 1.00 0.00 C ATOM 0 HA PRO A 102 -10.095 -12.783 -5.988 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -11.560 -12.486 -3.658 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -10.043 -13.359 -3.739 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -10.597 -10.715 -2.540 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -9.231 -11.779 -2.269 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -9.263 -9.401 -3.872 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -7.932 -10.527 -3.694 1.00 0.00 H new ATOM 1536 N ASP A 103 -11.531 -11.080 -7.245 1.00 0.00 N ATOM 1537 CA ASP A 103 -12.661 -10.497 -7.948 1.00 0.00 C ATOM 1538 C ASP A 103 -12.332 -10.397 -9.439 1.00 0.00 C ATOM 1539 O ASP A 103 -13.190 -10.645 -10.285 1.00 0.00 O ATOM 1540 CB ASP A 103 -12.961 -9.087 -7.435 1.00 0.00 C ATOM 1541 CG ASP A 103 -14.442 -8.704 -7.425 1.00 0.00 C ATOM 1542 OD1 ASP A 103 -15.049 -8.760 -8.516 1.00 0.00 O ATOM 1543 OD2 ASP A 103 -14.933 -8.364 -6.327 1.00 0.00 O ATOM 0 H ASP A 103 -10.721 -11.281 -7.832 1.00 0.00 H new ATOM 0 HA ASP A 103 -13.529 -11.135 -7.779 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -12.571 -8.995 -6.422 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -12.420 -8.369 -8.052 1.00 0.00 H new ATOM 1548 N SER A 104 -11.088 -10.034 -9.715 1.00 0.00 N ATOM 1549 CA SER A 104 -10.636 -9.898 -11.089 1.00 0.00 C ATOM 1550 C SER A 104 -9.805 -11.119 -11.489 1.00 0.00 C ATOM 1551 O SER A 104 -10.275 -11.977 -12.236 1.00 0.00 O ATOM 1552 CB SER A 104 -9.821 -8.617 -11.277 1.00 0.00 C ATOM 1553 OG SER A 104 -10.557 -7.613 -11.971 1.00 0.00 O ATOM 0 H SER A 104 -10.379 -9.830 -9.010 1.00 0.00 H new ATOM 0 HA SER A 104 -11.513 -9.836 -11.733 1.00 0.00 H new ATOM 0 HB2 SER A 104 -9.516 -8.235 -10.303 1.00 0.00 H new ATOM 0 HB3 SER A 104 -8.909 -8.845 -11.829 1.00 0.00 H new ATOM 0 HG SER A 104 -10.003 -6.811 -12.069 1.00 0.00 H new ATOM 1559 N GLY A 105 -8.585 -11.159 -10.975 1.00 0.00 N ATOM 1560 CA GLY A 105 -7.684 -12.261 -11.269 1.00 0.00 C ATOM 1561 C GLY A 105 -7.740 -12.634 -12.752 1.00 0.00 C ATOM 1562 O GLY A 105 -8.186 -11.840 -13.579 1.00 0.00 O ATOM 0 H GLY A 105 -8.199 -10.446 -10.356 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -6.665 -11.985 -10.998 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -7.952 -13.126 -10.662 1.00 0.00 H new ATOM 1566 N PRO A 106 -7.269 -13.874 -13.051 1.00 0.00 N ATOM 1567 CA PRO A 106 -7.262 -14.362 -14.420 1.00 0.00 C ATOM 1568 C PRO A 106 -8.671 -14.750 -14.871 1.00 0.00 C ATOM 1569 O PRO A 106 -9.498 -15.157 -14.056 1.00 0.00 O ATOM 1570 CB PRO A 106 -6.295 -15.535 -14.414 1.00 0.00 C ATOM 1571 CG PRO A 106 -6.154 -15.952 -12.959 1.00 0.00 C ATOM 1572 CD PRO A 106 -6.733 -14.841 -12.098 1.00 0.00 C ATOM 0 HA PRO A 106 -6.943 -13.604 -15.136 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -6.675 -16.357 -15.021 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -5.331 -15.248 -14.833 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -6.680 -16.889 -12.778 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -5.106 -16.121 -12.710 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -7.513 -15.218 -11.436 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -5.968 -14.391 -11.465 1.00 0.00 H new ATOM 1580 N SER A 107 -8.901 -14.612 -16.169 1.00 0.00 N ATOM 1581 CA SER A 107 -10.196 -14.944 -16.738 1.00 0.00 C ATOM 1582 C SER A 107 -10.138 -16.319 -17.405 1.00 0.00 C ATOM 1583 O SER A 107 -9.111 -16.698 -17.966 1.00 0.00 O ATOM 1584 CB SER A 107 -10.642 -13.883 -17.747 1.00 0.00 C ATOM 1585 OG SER A 107 -11.634 -13.015 -17.206 1.00 0.00 O ATOM 0 H SER A 107 -8.213 -14.275 -16.842 1.00 0.00 H new ATOM 0 HA SER A 107 -10.928 -14.970 -15.931 1.00 0.00 H new ATOM 0 HB2 SER A 107 -9.779 -13.296 -18.061 1.00 0.00 H new ATOM 0 HB3 SER A 107 -11.036 -14.373 -18.638 1.00 0.00 H new ATOM 0 HG SER A 107 -11.891 -12.351 -17.880 1.00 0.00 H new ATOM 1591 N SER A 108 -11.253 -17.030 -17.322 1.00 0.00 N ATOM 1592 CA SER A 108 -11.342 -18.355 -17.910 1.00 0.00 C ATOM 1593 C SER A 108 -12.283 -18.331 -19.116 1.00 0.00 C ATOM 1594 O SER A 108 -13.503 -18.318 -18.955 1.00 0.00 O ATOM 1595 CB SER A 108 -11.821 -19.383 -16.883 1.00 0.00 C ATOM 1596 OG SER A 108 -10.757 -20.208 -16.416 1.00 0.00 O ATOM 0 H SER A 108 -12.103 -16.713 -16.856 1.00 0.00 H new ATOM 0 HA SER A 108 -10.346 -18.649 -18.241 1.00 0.00 H new ATOM 0 HB2 SER A 108 -12.276 -18.866 -16.038 1.00 0.00 H new ATOM 0 HB3 SER A 108 -12.595 -20.008 -17.329 1.00 0.00 H new ATOM 0 HG SER A 108 -11.104 -20.849 -15.761 1.00 0.00 H new ATOM 1602 N GLY A 109 -11.682 -18.326 -20.296 1.00 0.00 N ATOM 1603 CA GLY A 109 -12.451 -18.303 -21.529 1.00 0.00 C ATOM 1604 C GLY A 109 -11.912 -19.326 -22.531 1.00 0.00 C ATOM 1605 O GLY A 109 -12.356 -20.473 -22.552 1.00 0.00 O ATOM 0 H GLY A 109 -10.670 -18.337 -20.425 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -13.498 -18.517 -21.313 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -12.413 -17.305 -21.967 1.00 0.00 H new TER 1609 GLY A 109