USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 669 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: 1 38 ASN : amide:sc= -1.53 K(o=-2.8,f=-2.2) USER MOD Set 1.2: 1 42 GLN : amide:sc= -1.25 K(o=-2.8,f=-5.2!) USER MOD Single : 1 23 ASN : amide:sc= -0.755 K(o=-0.75,f=-0.075) USER MOD Single : 1 27 GLN : amide:sc=-0.00729 X(o=-0.0073,f=-0.25) USER MOD Single : 1 32 SER OG : rot 15:sc= 1.18 USER MOD Single : 1 34 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : 1 37 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0113) USER MOD Single : 1 44 SER OG : rot 180:sc= 0 USER MOD Single : 1 45 THR OG1 : rot -42:sc= 0.0118 USER MOD Single : 1 48 SER OG : rot 66:sc= -0.235 USER MOD Single : 1 52 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 74 TYR OH : rot 30:sc= -1.24 USER MOD Single : 1 75 TYR OH : rot 180:sc= 0 USER MOD Single : 1 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 78 THR OG1 : rot 89:sc= 0.179 USER MOD Single : 1 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 92 GLN : amide:sc= -2.61 K(o=-2.6,f=-5.3!) USER MOD Single : 1 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 99 THR OG1 : rot -25:sc= 0.309 USER MOD ----------------------------------------------------------------- ATOM 13 N ASN 1 23 -11.715 6.405 11.240 1.00 0.00 N ATOM 14 CA ASN 1 23 -10.278 6.391 11.486 1.00 0.00 C ATOM 15 C ASN 1 23 -9.616 5.212 10.779 1.00 0.00 C ATOM 16 O ASN 1 23 -9.611 4.093 11.291 1.00 0.00 O ATOM 17 CB ASN 1 23 -9.998 6.322 12.990 1.00 0.00 C ATOM 18 CG ASN 1 23 -9.449 7.626 13.536 1.00 0.00 C ATOM 19 OD1 ASN 1 23 -10.195 8.574 13.778 1.00 0.00 O ATOM 20 ND2 ASN 1 23 -8.136 7.679 13.732 1.00 0.00 N ATOM 0 HA ASN 1 23 -9.857 7.314 11.086 1.00 0.00 H new ATOM 0 HB2 ASN 1 23 -10.918 6.069 13.517 1.00 0.00 H new ATOM 0 HB3 ASN 1 23 -9.287 5.520 13.188 1.00 0.00 H new ATOM 0 HD21 ASN 1 23 -7.709 8.530 14.097 1.00 0.00 H new ATOM 0 HD22 ASN 1 23 -7.555 6.868 13.517 1.00 0.00 H new ATOM 27 N VAL 1 24 -9.056 5.470 9.601 1.00 0.00 N ATOM 28 CA VAL 1 24 -8.391 4.427 8.829 1.00 0.00 C ATOM 29 C VAL 1 24 -7.139 4.964 8.139 1.00 0.00 C ATOM 30 O VAL 1 24 -7.186 5.981 7.446 1.00 0.00 O ATOM 31 CB VAL 1 24 -9.334 3.816 7.772 1.00 0.00 C ATOM 32 CG1 VAL 1 24 -10.698 3.519 8.378 1.00 0.00 C ATOM 33 CG2 VAL 1 24 -9.465 4.739 6.570 1.00 0.00 C ATOM 0 H VAL 1 24 -9.050 6.390 9.161 1.00 0.00 H new ATOM 0 HA VAL 1 24 -8.104 3.648 9.535 1.00 0.00 H new ATOM 0 HB VAL 1 24 -8.902 2.875 7.431 1.00 0.00 H new ATOM 0 HG11 VAL 1 24 -11.349 3.089 7.617 1.00 0.00 H new ATOM 0 HG12 VAL 1 24 -10.585 2.812 9.200 1.00 0.00 H new ATOM 0 HG13 VAL 1 24 -11.139 4.443 8.752 1.00 0.00 H new ATOM 0 HG21 VAL 1 24 -10.134 4.289 5.837 1.00 0.00 H new ATOM 0 HG22 VAL 1 24 -9.871 5.699 6.891 1.00 0.00 H new ATOM 0 HG23 VAL 1 24 -8.484 4.892 6.120 1.00 0.00 H new ATOM 43 N ARG 1 25 -6.027 4.271 8.332 1.00 0.00 N ATOM 44 CA ARG 1 25 -4.760 4.666 7.728 1.00 0.00 C ATOM 45 C ARG 1 25 -3.887 3.446 7.451 1.00 0.00 C ATOM 46 O ARG 1 25 -3.231 2.927 8.354 1.00 0.00 O ATOM 47 CB ARG 1 25 -4.017 5.642 8.643 1.00 0.00 C ATOM 48 CG ARG 1 25 -4.655 7.020 8.709 1.00 0.00 C ATOM 49 CD ARG 1 25 -4.068 7.852 9.838 1.00 0.00 C ATOM 50 NE ARG 1 25 -3.936 9.259 9.469 1.00 0.00 N ATOM 51 CZ ARG 1 25 -4.948 10.124 9.467 1.00 0.00 C ATOM 52 NH1 ARG 1 25 -6.167 9.729 9.813 1.00 0.00 N ATOM 53 NH2 ARG 1 25 -4.741 11.386 9.119 1.00 0.00 N ATOM 0 H ARG 1 25 -5.975 3.428 8.904 1.00 0.00 H new ATOM 0 HA ARG 1 25 -4.975 5.160 6.780 1.00 0.00 H new ATOM 0 HB2 ARG 1 25 -3.973 5.223 9.648 1.00 0.00 H new ATOM 0 HB3 ARG 1 25 -2.989 5.743 8.294 1.00 0.00 H new ATOM 0 HG2 ARG 1 25 -4.507 7.536 7.760 1.00 0.00 H new ATOM 0 HG3 ARG 1 25 -5.731 6.918 8.852 1.00 0.00 H new ATOM 0 HD2 ARG 1 25 -4.703 7.766 10.720 1.00 0.00 H new ATOM 0 HD3 ARG 1 25 -3.090 7.455 10.110 1.00 0.00 H new ATOM 0 HE ARG 1 25 -3.014 9.599 9.197 1.00 0.00 H new ATOM 0 HH11 ARG 1 25 -6.332 8.759 10.082 1.00 0.00 H new ATOM 0 HH12 ARG 1 25 -6.939 10.395 9.810 1.00 0.00 H new ATOM 0 HH21 ARG 1 25 -3.806 11.695 8.853 1.00 0.00 H new ATOM 0 HH22 ARG 1 25 -5.517 12.048 9.118 1.00 0.00 H new ATOM 67 N LEU 1 26 -3.880 2.989 6.202 1.00 0.00 N ATOM 68 CA LEU 1 26 -3.080 1.829 5.829 1.00 0.00 C ATOM 69 C LEU 1 26 -1.592 2.153 5.904 1.00 0.00 C ATOM 70 O LEU 1 26 -1.150 3.206 5.445 1.00 0.00 O ATOM 71 CB LEU 1 26 -3.456 1.338 4.426 1.00 0.00 C ATOM 72 CG LEU 1 26 -4.442 0.167 4.404 1.00 0.00 C ATOM 73 CD1 LEU 1 26 -5.611 0.430 5.342 1.00 0.00 C ATOM 74 CD2 LEU 1 26 -4.943 -0.087 2.992 1.00 0.00 C ATOM 0 H LEU 1 26 -4.415 3.401 5.437 1.00 0.00 H new ATOM 0 HA LEU 1 26 -3.291 1.029 6.538 1.00 0.00 H new ATOM 0 HB2 LEU 1 26 -3.887 2.169 3.868 1.00 0.00 H new ATOM 0 HB3 LEU 1 26 -2.547 1.040 3.904 1.00 0.00 H new ATOM 0 HG LEU 1 26 -3.917 -0.724 4.749 1.00 0.00 H new ATOM 0 HD11 LEU 1 26 -6.300 -0.414 5.311 1.00 0.00 H new ATOM 0 HD12 LEU 1 26 -5.240 0.558 6.359 1.00 0.00 H new ATOM 0 HD13 LEU 1 26 -6.132 1.335 5.029 1.00 0.00 H new ATOM 0 HD21 LEU 1 26 -5.642 -0.923 2.999 1.00 0.00 H new ATOM 0 HD22 LEU 1 26 -5.447 0.805 2.619 1.00 0.00 H new ATOM 0 HD23 LEU 1 26 -4.099 -0.325 2.344 1.00 0.00 H new ATOM 86 N GLN 1 27 -0.827 1.245 6.501 1.00 0.00 N ATOM 87 CA GLN 1 27 0.611 1.436 6.654 1.00 0.00 C ATOM 88 C GLN 1 27 1.373 0.955 5.424 1.00 0.00 C ATOM 89 O GLN 1 27 1.065 -0.095 4.858 1.00 0.00 O ATOM 90 CB GLN 1 27 1.113 0.698 7.896 1.00 0.00 C ATOM 91 CG GLN 1 27 2.596 0.894 8.163 1.00 0.00 C ATOM 92 CD GLN 1 27 2.862 1.881 9.282 1.00 0.00 C ATOM 93 OE1 GLN 1 27 2.126 2.852 9.457 1.00 0.00 O ATOM 94 NE2 GLN 1 27 3.920 1.637 10.047 1.00 0.00 N ATOM 0 H GLN 1 27 -1.179 0.369 6.887 1.00 0.00 H new ATOM 0 HA GLN 1 27 0.793 2.505 6.768 1.00 0.00 H new ATOM 0 HB2 GLN 1 27 0.548 1.039 8.764 1.00 0.00 H new ATOM 0 HB3 GLN 1 27 0.911 -0.367 7.782 1.00 0.00 H new ATOM 0 HG2 GLN 1 27 3.046 -0.066 8.416 1.00 0.00 H new ATOM 0 HG3 GLN 1 27 3.082 1.244 7.252 1.00 0.00 H new ATOM 0 HE21 GLN 1 27 4.503 0.820 9.866 1.00 0.00 H new ATOM 0 HE22 GLN 1 27 4.150 2.267 10.816 1.00 0.00 H new ATOM 103 N VAL 1 28 2.377 1.729 5.024 1.00 0.00 N ATOM 104 CA VAL 1 28 3.199 1.388 3.868 1.00 0.00 C ATOM 105 C VAL 1 28 4.576 0.906 4.307 1.00 0.00 C ATOM 106 O VAL 1 28 5.089 1.328 5.343 1.00 0.00 O ATOM 107 CB VAL 1 28 3.377 2.588 2.915 1.00 0.00 C ATOM 108 CG1 VAL 1 28 2.213 2.681 1.941 1.00 0.00 C ATOM 109 CG2 VAL 1 28 3.534 3.885 3.697 1.00 0.00 C ATOM 0 H VAL 1 28 2.642 2.599 5.485 1.00 0.00 H new ATOM 0 HA VAL 1 28 2.677 0.592 3.338 1.00 0.00 H new ATOM 0 HB VAL 1 28 4.289 2.430 2.339 1.00 0.00 H new ATOM 0 HG11 VAL 1 28 2.360 3.534 1.279 1.00 0.00 H new ATOM 0 HG12 VAL 1 28 2.160 1.767 1.349 1.00 0.00 H new ATOM 0 HG13 VAL 1 28 1.283 2.808 2.496 1.00 0.00 H new ATOM 0 HG21 VAL 1 28 3.658 4.716 3.002 1.00 0.00 H new ATOM 0 HG22 VAL 1 28 2.646 4.052 4.307 1.00 0.00 H new ATOM 0 HG23 VAL 1 28 4.410 3.817 4.342 1.00 0.00 H new ATOM 119 N GLU 1 29 5.172 0.021 3.515 1.00 0.00 N ATOM 120 CA GLU 1 29 6.492 -0.510 3.834 1.00 0.00 C ATOM 121 C GLU 1 29 7.247 -0.913 2.572 1.00 0.00 C ATOM 122 O GLU 1 29 6.777 -1.739 1.790 1.00 0.00 O ATOM 123 CB GLU 1 29 6.366 -1.712 4.771 1.00 0.00 C ATOM 124 CG GLU 1 29 6.382 -1.339 6.244 1.00 0.00 C ATOM 125 CD GLU 1 29 6.627 -2.534 7.145 1.00 0.00 C ATOM 126 OE1 GLU 1 29 7.401 -3.430 6.747 1.00 0.00 O ATOM 127 OE2 GLU 1 29 6.045 -2.573 8.250 1.00 0.00 O ATOM 0 H GLU 1 29 4.765 -0.342 2.653 1.00 0.00 H new ATOM 0 HA GLU 1 29 7.057 0.278 4.332 1.00 0.00 H new ATOM 0 HB2 GLU 1 29 5.439 -2.240 4.548 1.00 0.00 H new ATOM 0 HB3 GLU 1 29 7.183 -2.405 4.571 1.00 0.00 H new ATOM 0 HG2 GLU 1 29 7.157 -0.593 6.418 1.00 0.00 H new ATOM 0 HG3 GLU 1 29 5.430 -0.878 6.509 1.00 0.00 H new ATOM 134 N GLY 1 30 8.427 -0.331 2.390 1.00 0.00 N ATOM 135 CA GLY 1 30 9.245 -0.645 1.233 1.00 0.00 C ATOM 136 C GLY 1 30 9.132 0.380 0.125 1.00 0.00 C ATOM 137 O GLY 1 30 9.157 0.037 -1.056 1.00 0.00 O ATOM 0 H GLY 1 30 8.833 0.355 3.026 1.00 0.00 H new ATOM 0 HA2 GLY 1 30 10.287 -0.721 1.543 1.00 0.00 H new ATOM 0 HA3 GLY 1 30 8.955 -1.622 0.846 1.00 0.00 H new ATOM 141 N LEU 1 31 9.023 1.642 0.508 1.00 0.00 N ATOM 142 CA LEU 1 31 8.921 2.728 -0.455 1.00 0.00 C ATOM 143 C LEU 1 31 9.703 3.948 0.010 1.00 0.00 C ATOM 144 O LEU 1 31 10.139 4.023 1.158 1.00 0.00 O ATOM 145 CB LEU 1 31 7.464 3.106 -0.687 1.00 0.00 C ATOM 146 CG LEU 1 31 6.506 1.927 -0.820 1.00 0.00 C ATOM 147 CD1 LEU 1 31 5.093 2.360 -0.488 1.00 0.00 C ATOM 148 CD2 LEU 1 31 6.576 1.346 -2.223 1.00 0.00 C ATOM 0 H LEU 1 31 9.003 1.941 1.483 1.00 0.00 H new ATOM 0 HA LEU 1 31 9.350 2.378 -1.394 1.00 0.00 H new ATOM 0 HB2 LEU 1 31 7.131 3.734 0.139 1.00 0.00 H new ATOM 0 HB3 LEU 1 31 7.401 3.710 -1.592 1.00 0.00 H new ATOM 0 HG LEU 1 31 6.802 1.152 -0.114 1.00 0.00 H new ATOM 0 HD11 LEU 1 31 4.419 1.509 -0.587 1.00 0.00 H new ATOM 0 HD12 LEU 1 31 5.058 2.734 0.535 1.00 0.00 H new ATOM 0 HD13 LEU 1 31 4.784 3.149 -1.173 1.00 0.00 H new ATOM 0 HD21 LEU 1 31 5.887 0.505 -2.303 1.00 0.00 H new ATOM 0 HD22 LEU 1 31 6.300 2.112 -2.948 1.00 0.00 H new ATOM 0 HD23 LEU 1 31 7.591 1.004 -2.425 1.00 0.00 H new ATOM 160 N SER 1 32 9.879 4.899 -0.897 1.00 0.00 N ATOM 161 CA SER 1 32 10.612 6.120 -0.598 1.00 0.00 C ATOM 162 C SER 1 32 10.363 7.183 -1.664 1.00 0.00 C ATOM 163 O SER 1 32 9.935 6.873 -2.776 1.00 0.00 O ATOM 164 CB SER 1 32 12.105 5.816 -0.512 1.00 0.00 C ATOM 165 OG SER 1 32 12.449 5.290 0.758 1.00 0.00 O ATOM 0 H SER 1 32 9.522 4.847 -1.851 1.00 0.00 H new ATOM 0 HA SER 1 32 10.260 6.506 0.359 1.00 0.00 H new ATOM 0 HB2 SER 1 32 12.379 5.103 -1.290 1.00 0.00 H new ATOM 0 HB3 SER 1 32 12.675 6.726 -0.698 1.00 0.00 H new ATOM 0 HG SER 1 32 11.635 5.017 1.230 1.00 0.00 H new ATOM 171 N GLY 1 33 10.645 8.435 -1.319 1.00 0.00 N ATOM 172 CA GLY 1 33 10.459 9.529 -2.257 1.00 0.00 C ATOM 173 C GLY 1 33 9.068 9.567 -2.864 1.00 0.00 C ATOM 174 O GLY 1 33 8.069 9.609 -2.145 1.00 0.00 O ATOM 0 H GLY 1 33 11.000 8.713 -0.404 1.00 0.00 H new ATOM 0 HA2 GLY 1 33 10.652 10.473 -1.747 1.00 0.00 H new ATOM 0 HA3 GLY 1 33 11.195 9.443 -3.056 1.00 0.00 H new ATOM 178 N GLN 1 34 9.008 9.563 -4.192 1.00 0.00 N ATOM 179 CA GLN 1 34 7.736 9.606 -4.906 1.00 0.00 C ATOM 180 C GLN 1 34 7.036 8.248 -4.892 1.00 0.00 C ATOM 181 O GLN 1 34 5.872 8.138 -5.276 1.00 0.00 O ATOM 182 CB GLN 1 34 7.953 10.066 -6.349 1.00 0.00 C ATOM 183 CG GLN 1 34 6.861 10.989 -6.864 1.00 0.00 C ATOM 184 CD GLN 1 34 6.999 11.286 -8.344 1.00 0.00 C ATOM 185 OE1 GLN 1 34 7.960 10.864 -8.987 1.00 0.00 O ATOM 186 NE2 GLN 1 34 6.035 12.016 -8.894 1.00 0.00 N ATOM 0 H GLN 1 34 9.828 9.530 -4.797 1.00 0.00 H new ATOM 0 HA GLN 1 34 7.094 10.321 -4.392 1.00 0.00 H new ATOM 0 HB2 GLN 1 34 8.913 10.578 -6.418 1.00 0.00 H new ATOM 0 HB3 GLN 1 34 8.012 9.191 -6.996 1.00 0.00 H new ATOM 0 HG2 GLN 1 34 5.888 10.534 -6.678 1.00 0.00 H new ATOM 0 HG3 GLN 1 34 6.888 11.925 -6.305 1.00 0.00 H new ATOM 0 HE21 GLN 1 34 5.256 12.345 -8.324 1.00 0.00 H new ATOM 0 HE22 GLN 1 34 6.074 12.247 -9.887 1.00 0.00 H new ATOM 195 N LEU 1 35 7.743 7.217 -4.447 1.00 0.00 N ATOM 196 CA LEU 1 35 7.173 5.883 -4.383 1.00 0.00 C ATOM 197 C LEU 1 35 6.249 5.768 -3.181 1.00 0.00 C ATOM 198 O LEU 1 35 5.072 5.434 -3.315 1.00 0.00 O ATOM 199 CB LEU 1 35 8.282 4.836 -4.289 1.00 0.00 C ATOM 200 CG LEU 1 35 9.347 4.871 -5.393 1.00 0.00 C ATOM 201 CD1 LEU 1 35 9.879 3.474 -5.672 1.00 0.00 C ATOM 202 CD2 LEU 1 35 8.803 5.492 -6.669 1.00 0.00 C ATOM 0 H LEU 1 35 8.709 7.281 -4.127 1.00 0.00 H new ATOM 0 HA LEU 1 35 6.599 5.705 -5.292 1.00 0.00 H new ATOM 0 HB2 LEU 1 35 8.782 4.953 -3.328 1.00 0.00 H new ATOM 0 HB3 LEU 1 35 7.821 3.848 -4.290 1.00 0.00 H new ATOM 0 HG LEU 1 35 10.168 5.494 -5.038 1.00 0.00 H new ATOM 0 HD11 LEU 1 35 10.633 3.522 -6.458 1.00 0.00 H new ATOM 0 HD12 LEU 1 35 10.326 3.067 -4.765 1.00 0.00 H new ATOM 0 HD13 LEU 1 35 9.060 2.830 -5.993 1.00 0.00 H new ATOM 0 HD21 LEU 1 35 9.583 5.501 -7.430 1.00 0.00 H new ATOM 0 HD22 LEU 1 35 7.955 4.907 -7.025 1.00 0.00 H new ATOM 0 HD23 LEU 1 35 8.480 6.514 -6.468 1.00 0.00 H new ATOM 214 N GLU 1 36 6.794 6.057 -2.007 1.00 0.00 N ATOM 215 CA GLU 1 36 6.028 5.998 -0.775 1.00 0.00 C ATOM 216 C GLU 1 36 4.858 6.978 -0.821 1.00 0.00 C ATOM 217 O GLU 1 36 3.791 6.716 -0.264 1.00 0.00 O ATOM 218 CB GLU 1 36 6.943 6.299 0.418 1.00 0.00 C ATOM 219 CG GLU 1 36 7.166 7.783 0.672 1.00 0.00 C ATOM 220 CD GLU 1 36 8.158 8.040 1.790 1.00 0.00 C ATOM 221 OE1 GLU 1 36 7.989 7.454 2.880 1.00 0.00 O ATOM 222 OE2 GLU 1 36 9.104 8.826 1.575 1.00 0.00 O ATOM 0 H GLU 1 36 7.768 6.335 -1.885 1.00 0.00 H new ATOM 0 HA GLU 1 36 5.619 4.994 -0.660 1.00 0.00 H new ATOM 0 HB2 GLU 1 36 6.515 5.849 1.313 1.00 0.00 H new ATOM 0 HB3 GLU 1 36 7.908 5.821 0.251 1.00 0.00 H new ATOM 0 HG2 GLU 1 36 7.525 8.255 -0.243 1.00 0.00 H new ATOM 0 HG3 GLU 1 36 6.214 8.252 0.921 1.00 0.00 H new ATOM 229 N LYS 1 37 5.064 8.108 -1.495 1.00 0.00 N ATOM 230 CA LYS 1 37 4.025 9.123 -1.616 1.00 0.00 C ATOM 231 C LYS 1 37 2.895 8.637 -2.521 1.00 0.00 C ATOM 232 O LYS 1 37 1.717 8.829 -2.215 1.00 0.00 O ATOM 233 CB LYS 1 37 4.617 10.444 -2.136 1.00 0.00 C ATOM 234 CG LYS 1 37 4.767 10.521 -3.648 1.00 0.00 C ATOM 235 CD LYS 1 37 3.453 10.876 -4.329 1.00 0.00 C ATOM 236 CE LYS 1 37 3.635 11.983 -5.355 1.00 0.00 C ATOM 237 NZ LYS 1 37 3.892 13.301 -4.710 1.00 0.00 N ATOM 0 H LYS 1 37 5.939 8.341 -1.964 1.00 0.00 H new ATOM 0 HA LYS 1 37 3.607 9.305 -0.626 1.00 0.00 H new ATOM 0 HB2 LYS 1 37 3.982 11.266 -1.805 1.00 0.00 H new ATOM 0 HB3 LYS 1 37 5.595 10.593 -1.679 1.00 0.00 H new ATOM 0 HG2 LYS 1 37 5.521 11.267 -3.901 1.00 0.00 H new ATOM 0 HG3 LYS 1 37 5.126 9.564 -4.027 1.00 0.00 H new ATOM 0 HD2 LYS 1 37 3.045 9.991 -4.817 1.00 0.00 H new ATOM 0 HD3 LYS 1 37 2.727 11.190 -3.579 1.00 0.00 H new ATOM 0 HE2 LYS 1 37 4.466 11.733 -6.015 1.00 0.00 H new ATOM 0 HE3 LYS 1 37 2.743 12.051 -5.978 1.00 0.00 H new ATOM 0 HZ1 LYS 1 37 3.876 14.050 -5.432 1.00 0.00 H new ATOM 0 HZ2 LYS 1 37 3.156 13.489 -3.999 1.00 0.00 H new ATOM 0 HZ3 LYS 1 37 4.824 13.286 -4.248 1.00 0.00 H new ATOM 251 N ASN 1 38 3.256 7.997 -3.633 1.00 0.00 N ATOM 252 CA ASN 1 38 2.261 7.481 -4.566 1.00 0.00 C ATOM 253 C ASN 1 38 1.381 6.443 -3.879 1.00 0.00 C ATOM 254 O ASN 1 38 0.152 6.545 -3.888 1.00 0.00 O ATOM 255 CB ASN 1 38 2.944 6.868 -5.790 1.00 0.00 C ATOM 256 CG ASN 1 38 2.448 7.469 -7.090 1.00 0.00 C ATOM 257 OD1 ASN 1 38 2.990 8.463 -7.575 1.00 0.00 O ATOM 258 ND2 ASN 1 38 1.411 6.868 -7.663 1.00 0.00 N ATOM 0 H ASN 1 38 4.224 7.825 -3.906 1.00 0.00 H new ATOM 0 HA ASN 1 38 1.634 8.309 -4.896 1.00 0.00 H new ATOM 0 HB2 ASN 1 38 4.021 7.015 -5.713 1.00 0.00 H new ATOM 0 HB3 ASN 1 38 2.768 5.792 -5.800 1.00 0.00 H new ATOM 0 HD21 ASN 1 38 1.033 7.228 -8.540 1.00 0.00 H new ATOM 0 HD22 ASN 1 38 0.992 6.047 -7.226 1.00 0.00 H new ATOM 265 N VAL 1 39 2.021 5.448 -3.270 1.00 0.00 N ATOM 266 CA VAL 1 39 1.298 4.400 -2.564 1.00 0.00 C ATOM 267 C VAL 1 39 0.386 5.011 -1.507 1.00 0.00 C ATOM 268 O VAL 1 39 -0.729 4.539 -1.286 1.00 0.00 O ATOM 269 CB VAL 1 39 2.260 3.398 -1.897 1.00 0.00 C ATOM 270 CG1 VAL 1 39 1.485 2.285 -1.209 1.00 0.00 C ATOM 271 CG2 VAL 1 39 3.224 2.825 -2.926 1.00 0.00 C ATOM 0 H VAL 1 39 3.036 5.348 -3.252 1.00 0.00 H new ATOM 0 HA VAL 1 39 0.700 3.861 -3.299 1.00 0.00 H new ATOM 0 HB VAL 1 39 2.838 3.927 -1.139 1.00 0.00 H new ATOM 0 HG11 VAL 1 39 2.183 1.589 -0.745 1.00 0.00 H new ATOM 0 HG12 VAL 1 39 0.836 2.712 -0.444 1.00 0.00 H new ATOM 0 HG13 VAL 1 39 0.879 1.755 -1.944 1.00 0.00 H new ATOM 0 HG21 VAL 1 39 3.897 2.119 -2.440 1.00 0.00 H new ATOM 0 HG22 VAL 1 39 2.661 2.312 -3.706 1.00 0.00 H new ATOM 0 HG23 VAL 1 39 3.805 3.633 -3.370 1.00 0.00 H new ATOM 281 N ARG 1 40 0.861 6.080 -0.871 1.00 0.00 N ATOM 282 CA ARG 1 40 0.078 6.771 0.145 1.00 0.00 C ATOM 283 C ARG 1 40 -1.246 7.234 -0.450 1.00 0.00 C ATOM 284 O ARG 1 40 -2.310 7.041 0.140 1.00 0.00 O ATOM 285 CB ARG 1 40 0.854 7.968 0.697 1.00 0.00 C ATOM 286 CG ARG 1 40 0.328 8.471 2.031 1.00 0.00 C ATOM 287 CD ARG 1 40 1.436 9.083 2.872 1.00 0.00 C ATOM 288 NE ARG 1 40 1.022 9.290 4.258 1.00 0.00 N ATOM 289 CZ ARG 1 40 1.666 10.080 5.114 1.00 0.00 C ATOM 290 NH1 ARG 1 40 2.752 10.739 4.732 1.00 0.00 N ATOM 291 NH2 ARG 1 40 1.222 10.212 6.357 1.00 0.00 N ATOM 0 H ARG 1 40 1.782 6.484 -1.042 1.00 0.00 H new ATOM 0 HA ARG 1 40 -0.120 6.081 0.965 1.00 0.00 H new ATOM 0 HB2 ARG 1 40 1.902 7.690 0.811 1.00 0.00 H new ATOM 0 HB3 ARG 1 40 0.817 8.781 -0.029 1.00 0.00 H new ATOM 0 HG2 ARG 1 40 -0.452 9.213 1.859 1.00 0.00 H new ATOM 0 HG3 ARG 1 40 -0.131 7.646 2.576 1.00 0.00 H new ATOM 0 HD2 ARG 1 40 2.310 8.432 2.848 1.00 0.00 H new ATOM 0 HD3 ARG 1 40 1.736 10.036 2.437 1.00 0.00 H new ATOM 0 HE ARG 1 40 0.191 8.800 4.589 1.00 0.00 H new ATOM 0 HH11 ARG 1 40 3.098 10.642 3.777 1.00 0.00 H new ATOM 0 HH12 ARG 1 40 3.241 11.343 5.393 1.00 0.00 H new ATOM 0 HH21 ARG 1 40 0.387 9.708 6.657 1.00 0.00 H new ATOM 0 HH22 ARG 1 40 1.715 10.817 7.013 1.00 0.00 H new ATOM 305 N ALA 1 41 -1.173 7.828 -1.640 1.00 0.00 N ATOM 306 CA ALA 1 41 -2.368 8.295 -2.330 1.00 0.00 C ATOM 307 C ALA 1 41 -3.340 7.140 -2.521 1.00 0.00 C ATOM 308 O ALA 1 41 -4.535 7.258 -2.235 1.00 0.00 O ATOM 309 CB ALA 1 41 -2.001 8.913 -3.671 1.00 0.00 C ATOM 0 H ALA 1 41 -0.301 7.996 -2.142 1.00 0.00 H new ATOM 0 HA ALA 1 41 -2.849 9.062 -1.723 1.00 0.00 H new ATOM 0 HB1 ALA 1 41 -2.905 9.257 -4.173 1.00 0.00 H new ATOM 0 HB2 ALA 1 41 -1.331 9.758 -3.511 1.00 0.00 H new ATOM 0 HB3 ALA 1 41 -1.503 8.168 -4.291 1.00 0.00 H new ATOM 315 N GLN 1 42 -2.815 6.008 -2.983 1.00 0.00 N ATOM 316 CA GLN 1 42 -3.632 4.828 -3.182 1.00 0.00 C ATOM 317 C GLN 1 42 -4.201 4.378 -1.846 1.00 0.00 C ATOM 318 O GLN 1 42 -5.395 4.112 -1.726 1.00 0.00 O ATOM 319 CB GLN 1 42 -2.807 3.704 -3.812 1.00 0.00 C ATOM 320 CG GLN 1 42 -1.875 4.176 -4.917 1.00 0.00 C ATOM 321 CD GLN 1 42 -2.582 5.016 -5.962 1.00 0.00 C ATOM 322 OE1 GLN 1 42 -3.811 5.075 -6.001 1.00 0.00 O ATOM 323 NE2 GLN 1 42 -1.806 5.671 -6.818 1.00 0.00 N ATOM 0 H GLN 1 42 -1.831 5.889 -3.224 1.00 0.00 H new ATOM 0 HA GLN 1 42 -4.450 5.071 -3.860 1.00 0.00 H new ATOM 0 HB2 GLN 1 42 -2.218 3.218 -3.034 1.00 0.00 H new ATOM 0 HB3 GLN 1 42 -3.484 2.951 -4.216 1.00 0.00 H new ATOM 0 HG2 GLN 1 42 -1.064 4.757 -4.478 1.00 0.00 H new ATOM 0 HG3 GLN 1 42 -1.422 3.310 -5.399 1.00 0.00 H new ATOM 0 HE21 GLN 1 42 -0.791 5.593 -6.749 1.00 0.00 H new ATOM 0 HE22 GLN 1 42 -2.225 6.252 -7.544 1.00 0.00 H new ATOM 332 N LEU 1 43 -3.333 4.320 -0.837 1.00 0.00 N ATOM 333 CA LEU 1 43 -3.737 3.922 0.506 1.00 0.00 C ATOM 334 C LEU 1 43 -4.991 4.671 0.938 1.00 0.00 C ATOM 335 O LEU 1 43 -5.833 4.135 1.658 1.00 0.00 O ATOM 336 CB LEU 1 43 -2.604 4.184 1.505 1.00 0.00 C ATOM 337 CG LEU 1 43 -1.342 3.325 1.333 1.00 0.00 C ATOM 338 CD1 LEU 1 43 -0.810 2.893 2.689 1.00 0.00 C ATOM 339 CD2 LEU 1 43 -1.613 2.106 0.460 1.00 0.00 C ATOM 0 H LEU 1 43 -2.342 4.545 -0.927 1.00 0.00 H new ATOM 0 HA LEU 1 43 -3.957 2.855 0.490 1.00 0.00 H new ATOM 0 HB2 LEU 1 43 -2.318 5.233 1.432 1.00 0.00 H new ATOM 0 HB3 LEU 1 43 -2.991 4.028 2.512 1.00 0.00 H new ATOM 0 HG LEU 1 43 -0.589 3.934 0.833 1.00 0.00 H new ATOM 0 HD11 LEU 1 43 0.084 2.285 2.552 1.00 0.00 H new ATOM 0 HD12 LEU 1 43 -0.562 3.775 3.280 1.00 0.00 H new ATOM 0 HD13 LEU 1 43 -1.570 2.309 3.209 1.00 0.00 H new ATOM 0 HD21 LEU 1 43 -0.699 1.520 0.359 1.00 0.00 H new ATOM 0 HD22 LEU 1 43 -2.388 1.493 0.921 1.00 0.00 H new ATOM 0 HD23 LEU 1 43 -1.946 2.431 -0.526 1.00 0.00 H new ATOM 351 N SER 1 44 -5.107 5.916 0.489 1.00 0.00 N ATOM 352 CA SER 1 44 -6.257 6.743 0.824 1.00 0.00 C ATOM 353 C SER 1 44 -7.468 6.368 -0.025 1.00 0.00 C ATOM 354 O SER 1 44 -8.605 6.422 0.444 1.00 0.00 O ATOM 355 CB SER 1 44 -5.921 8.223 0.627 1.00 0.00 C ATOM 356 OG SER 1 44 -5.424 8.797 1.824 1.00 0.00 O ATOM 0 H SER 1 44 -4.418 6.373 -0.108 1.00 0.00 H new ATOM 0 HA SER 1 44 -6.504 6.568 1.871 1.00 0.00 H new ATOM 0 HB2 SER 1 44 -5.180 8.329 -0.166 1.00 0.00 H new ATOM 0 HB3 SER 1 44 -6.812 8.762 0.304 1.00 0.00 H new ATOM 0 HG SER 1 44 -5.215 9.742 1.671 1.00 0.00 H new ATOM 362 N THR 1 45 -7.223 5.997 -1.280 1.00 0.00 N ATOM 363 CA THR 1 45 -8.306 5.627 -2.187 1.00 0.00 C ATOM 364 C THR 1 45 -8.779 4.185 -1.963 1.00 0.00 C ATOM 365 O THR 1 45 -9.805 3.776 -2.506 1.00 0.00 O ATOM 366 CB THR 1 45 -7.875 5.829 -3.646 1.00 0.00 C ATOM 367 OG1 THR 1 45 -9.005 6.007 -4.480 1.00 0.00 O ATOM 368 CG2 THR 1 45 -7.067 4.680 -4.214 1.00 0.00 C ATOM 0 H THR 1 45 -6.290 5.945 -1.690 1.00 0.00 H new ATOM 0 HA THR 1 45 -9.149 6.283 -1.970 1.00 0.00 H new ATOM 0 HB THR 1 45 -7.242 6.716 -3.631 1.00 0.00 H new ATOM 0 HG1 THR 1 45 -9.707 5.375 -4.219 1.00 0.00 H new ATOM 0 HG21 THR 1 45 -6.801 4.899 -5.248 1.00 0.00 H new ATOM 0 HG22 THR 1 45 -6.159 4.548 -3.626 1.00 0.00 H new ATOM 0 HG23 THR 1 45 -7.659 3.766 -4.177 1.00 0.00 H new ATOM 376 N ILE 1 46 -8.034 3.417 -1.168 1.00 0.00 N ATOM 377 CA ILE 1 46 -8.402 2.029 -0.893 1.00 0.00 C ATOM 378 C ILE 1 46 -9.781 1.946 -0.239 1.00 0.00 C ATOM 379 O ILE 1 46 -10.292 2.935 0.286 1.00 0.00 O ATOM 380 CB ILE 1 46 -7.357 1.332 0.006 1.00 0.00 C ATOM 381 CG1 ILE 1 46 -5.982 1.385 -0.660 1.00 0.00 C ATOM 382 CG2 ILE 1 46 -7.754 -0.114 0.281 1.00 0.00 C ATOM 383 CD1 ILE 1 46 -4.912 0.639 0.096 1.00 0.00 C ATOM 0 H ILE 1 46 -7.179 3.729 -0.707 1.00 0.00 H new ATOM 0 HA ILE 1 46 -8.432 1.511 -1.852 1.00 0.00 H new ATOM 0 HB ILE 1 46 -7.314 1.859 0.959 1.00 0.00 H new ATOM 0 HG12 ILE 1 46 -6.059 0.971 -1.665 1.00 0.00 H new ATOM 0 HG13 ILE 1 46 -5.680 2.427 -0.766 1.00 0.00 H new ATOM 0 HG21 ILE 1 46 -7.002 -0.583 0.916 1.00 0.00 H new ATOM 0 HG22 ILE 1 46 -8.720 -0.136 0.785 1.00 0.00 H new ATOM 0 HG23 ILE 1 46 -7.824 -0.658 -0.661 1.00 0.00 H new ATOM 0 HD11 ILE 1 46 -3.965 0.722 -0.437 1.00 0.00 H new ATOM 0 HD12 ILE 1 46 -4.806 1.067 1.093 1.00 0.00 H new ATOM 0 HD13 ILE 1 46 -5.191 -0.411 0.180 1.00 0.00 H new ATOM 395 N GLU 1 47 -10.379 0.758 -0.283 1.00 0.00 N ATOM 396 CA GLU 1 47 -11.702 0.527 0.293 1.00 0.00 C ATOM 397 C GLU 1 47 -11.693 0.596 1.823 1.00 0.00 C ATOM 398 O GLU 1 47 -12.726 0.398 2.460 1.00 0.00 O ATOM 399 CB GLU 1 47 -12.238 -0.833 -0.155 1.00 0.00 C ATOM 400 CG GLU 1 47 -12.107 -1.076 -1.650 1.00 0.00 C ATOM 401 CD GLU 1 47 -13.431 -0.957 -2.378 1.00 0.00 C ATOM 402 OE1 GLU 1 47 -14.436 -1.503 -1.877 1.00 0.00 O ATOM 403 OE2 GLU 1 47 -13.464 -0.316 -3.450 1.00 0.00 O ATOM 0 H GLU 1 47 -9.964 -0.067 -0.716 1.00 0.00 H new ATOM 0 HA GLU 1 47 -12.352 1.323 -0.069 1.00 0.00 H new ATOM 0 HB2 GLU 1 47 -11.705 -1.619 0.380 1.00 0.00 H new ATOM 0 HB3 GLU 1 47 -13.288 -0.911 0.127 1.00 0.00 H new ATOM 0 HG2 GLU 1 47 -11.400 -0.361 -2.070 1.00 0.00 H new ATOM 0 HG3 GLU 1 47 -11.692 -2.070 -1.818 1.00 0.00 H new ATOM 410 N SER 1 48 -10.532 0.865 2.416 1.00 0.00 N ATOM 411 CA SER 1 48 -10.410 0.942 3.872 1.00 0.00 C ATOM 412 C SER 1 48 -11.256 2.067 4.479 1.00 0.00 C ATOM 413 O SER 1 48 -11.132 2.363 5.667 1.00 0.00 O ATOM 414 CB SER 1 48 -8.944 1.132 4.269 1.00 0.00 C ATOM 415 OG SER 1 48 -8.616 0.348 5.403 1.00 0.00 O ATOM 0 H SER 1 48 -9.662 1.033 1.912 1.00 0.00 H new ATOM 0 HA SER 1 48 -10.787 -0.000 4.269 1.00 0.00 H new ATOM 0 HB2 SER 1 48 -8.300 0.857 3.434 1.00 0.00 H new ATOM 0 HB3 SER 1 48 -8.756 2.184 4.484 1.00 0.00 H new ATOM 0 HG SER 1 48 -8.677 -0.603 5.172 1.00 0.00 H new ATOM 421 N ASP 1 49 -12.121 2.685 3.677 1.00 0.00 N ATOM 422 CA ASP 1 49 -12.983 3.762 4.157 1.00 0.00 C ATOM 423 C ASP 1 49 -14.168 3.212 4.954 1.00 0.00 C ATOM 424 O ASP 1 49 -15.265 3.769 4.904 1.00 0.00 O ATOM 425 CB ASP 1 49 -13.490 4.598 2.981 1.00 0.00 C ATOM 426 CG ASP 1 49 -13.564 6.076 3.311 1.00 0.00 C ATOM 427 OD1 ASP 1 49 -13.853 6.410 4.479 1.00 0.00 O ATOM 428 OD2 ASP 1 49 -13.331 6.900 2.402 1.00 0.00 O ATOM 0 H ASP 1 49 -12.243 2.457 2.690 1.00 0.00 H new ATOM 0 HA ASP 1 49 -12.391 4.394 4.819 1.00 0.00 H new ATOM 0 HB2 ASP 1 49 -12.831 4.452 2.125 1.00 0.00 H new ATOM 0 HB3 ASP 1 49 -14.478 4.244 2.687 1.00 0.00 H new ATOM 433 N GLU 1 50 -13.941 2.109 5.676 1.00 0.00 N ATOM 434 CA GLU 1 50 -14.977 1.460 6.479 1.00 0.00 C ATOM 435 C GLU 1 50 -15.756 0.454 5.640 1.00 0.00 C ATOM 436 O GLU 1 50 -16.906 0.691 5.269 1.00 0.00 O ATOM 437 CB GLU 1 50 -15.930 2.487 7.102 1.00 0.00 C ATOM 438 CG GLU 1 50 -16.278 2.184 8.549 1.00 0.00 C ATOM 439 CD GLU 1 50 -17.666 1.595 8.704 1.00 0.00 C ATOM 440 OE1 GLU 1 50 -17.949 0.564 8.059 1.00 0.00 O ATOM 441 OE2 GLU 1 50 -18.471 2.165 9.470 1.00 0.00 O ATOM 0 H GLU 1 50 -13.034 1.644 5.718 1.00 0.00 H new ATOM 0 HA GLU 1 50 -14.480 0.929 7.291 1.00 0.00 H new ATOM 0 HB2 GLU 1 50 -15.475 3.476 7.044 1.00 0.00 H new ATOM 0 HB3 GLU 1 50 -16.848 2.524 6.515 1.00 0.00 H new ATOM 0 HG2 GLU 1 50 -15.545 1.489 8.957 1.00 0.00 H new ATOM 0 HG3 GLU 1 50 -16.209 3.100 9.135 1.00 0.00 H new ATOM 448 N VAL 1 51 -15.114 -0.673 5.344 1.00 0.00 N ATOM 449 CA VAL 1 51 -15.733 -1.723 4.547 1.00 0.00 C ATOM 450 C VAL 1 51 -15.437 -3.103 5.133 1.00 0.00 C ATOM 451 O VAL 1 51 -14.963 -3.218 6.262 1.00 0.00 O ATOM 452 CB VAL 1 51 -15.253 -1.667 3.080 1.00 0.00 C ATOM 453 CG1 VAL 1 51 -15.360 -0.249 2.543 1.00 0.00 C ATOM 454 CG2 VAL 1 51 -13.826 -2.181 2.953 1.00 0.00 C ATOM 0 H VAL 1 51 -14.162 -0.881 5.646 1.00 0.00 H new ATOM 0 HA VAL 1 51 -16.810 -1.554 4.569 1.00 0.00 H new ATOM 0 HB VAL 1 51 -15.898 -2.315 2.486 1.00 0.00 H new ATOM 0 HG11 VAL 1 51 -15.018 -0.225 1.508 1.00 0.00 H new ATOM 0 HG12 VAL 1 51 -16.398 0.081 2.590 1.00 0.00 H new ATOM 0 HG13 VAL 1 51 -14.741 0.416 3.145 1.00 0.00 H new ATOM 0 HG21 VAL 1 51 -13.513 -2.131 1.910 1.00 0.00 H new ATOM 0 HG22 VAL 1 51 -13.162 -1.566 3.561 1.00 0.00 H new ATOM 0 HG23 VAL 1 51 -13.780 -3.214 3.296 1.00 0.00 H new ATOM 464 N THR 1 52 -15.717 -4.146 4.357 1.00 0.00 N ATOM 465 CA THR 1 52 -15.475 -5.516 4.797 1.00 0.00 C ATOM 466 C THR 1 52 -14.168 -6.044 4.207 1.00 0.00 C ATOM 467 O THR 1 52 -14.141 -6.517 3.071 1.00 0.00 O ATOM 468 CB THR 1 52 -16.639 -6.419 4.382 1.00 0.00 C ATOM 469 OG1 THR 1 52 -17.845 -5.991 4.989 1.00 0.00 O ATOM 470 CG2 THR 1 52 -16.433 -7.874 4.746 1.00 0.00 C ATOM 0 H THR 1 52 -16.112 -4.068 3.420 1.00 0.00 H new ATOM 0 HA THR 1 52 -15.394 -5.520 5.884 1.00 0.00 H new ATOM 0 HB THR 1 52 -16.691 -6.339 3.296 1.00 0.00 H new ATOM 0 HG1 THR 1 52 -18.578 -6.579 4.711 1.00 0.00 H new ATOM 0 HG21 THR 1 52 -17.296 -8.456 4.422 1.00 0.00 H new ATOM 0 HG22 THR 1 52 -15.537 -8.249 4.252 1.00 0.00 H new ATOM 0 HG23 THR 1 52 -16.318 -7.966 5.826 1.00 0.00 H new ATOM 478 N PRO 1 53 -13.060 -5.962 4.966 1.00 0.00 N ATOM 479 CA PRO 1 53 -11.752 -6.427 4.496 1.00 0.00 C ATOM 480 C PRO 1 53 -11.679 -7.944 4.357 1.00 0.00 C ATOM 481 O PRO 1 53 -11.796 -8.679 5.338 1.00 0.00 O ATOM 482 CB PRO 1 53 -10.789 -5.945 5.583 1.00 0.00 C ATOM 483 CG PRO 1 53 -11.628 -5.819 6.806 1.00 0.00 C ATOM 484 CD PRO 1 53 -12.991 -5.402 6.329 1.00 0.00 C ATOM 0 HA PRO 1 53 -11.524 -6.044 3.501 1.00 0.00 H new ATOM 0 HB2 PRO 1 53 -9.975 -6.654 5.733 1.00 0.00 H new ATOM 0 HB3 PRO 1 53 -10.335 -4.991 5.315 1.00 0.00 H new ATOM 0 HG2 PRO 1 53 -11.676 -6.765 7.346 1.00 0.00 H new ATOM 0 HG3 PRO 1 53 -11.211 -5.081 7.491 1.00 0.00 H new ATOM 0 HD2 PRO 1 53 -13.780 -5.800 6.968 1.00 0.00 H new ATOM 0 HD3 PRO 1 53 -13.101 -4.318 6.324 1.00 0.00 H new ATOM 492 N ASP 1 54 -11.475 -8.399 3.127 1.00 0.00 N ATOM 493 CA ASP 1 54 -11.370 -9.820 2.831 1.00 0.00 C ATOM 494 C ASP 1 54 -10.404 -10.046 1.674 1.00 0.00 C ATOM 495 O ASP 1 54 -9.812 -9.097 1.160 1.00 0.00 O ATOM 496 CB ASP 1 54 -12.745 -10.401 2.493 1.00 0.00 C ATOM 497 CG ASP 1 54 -13.362 -11.142 3.664 1.00 0.00 C ATOM 498 OD1 ASP 1 54 -13.653 -10.493 4.690 1.00 0.00 O ATOM 499 OD2 ASP 1 54 -13.553 -12.371 3.553 1.00 0.00 O ATOM 0 H ASP 1 54 -11.378 -7.795 2.311 1.00 0.00 H new ATOM 0 HA ASP 1 54 -10.987 -10.330 3.715 1.00 0.00 H new ATOM 0 HB2 ASP 1 54 -13.411 -9.595 2.184 1.00 0.00 H new ATOM 0 HB3 ASP 1 54 -12.651 -11.080 1.645 1.00 0.00 H new ATOM 504 N ARG 1 55 -10.248 -11.302 1.266 1.00 0.00 N ATOM 505 CA ARG 1 55 -9.351 -11.644 0.163 1.00 0.00 C ATOM 506 C ARG 1 55 -9.532 -10.679 -1.008 1.00 0.00 C ATOM 507 O ARG 1 55 -8.595 -10.421 -1.764 1.00 0.00 O ATOM 508 CB ARG 1 55 -9.602 -13.080 -0.301 1.00 0.00 C ATOM 509 CG ARG 1 55 -11.077 -13.426 -0.440 1.00 0.00 C ATOM 510 CD ARG 1 55 -11.516 -14.438 0.607 1.00 0.00 C ATOM 511 NE ARG 1 55 -12.734 -15.141 0.212 1.00 0.00 N ATOM 512 CZ ARG 1 55 -13.131 -16.294 0.745 1.00 0.00 C ATOM 513 NH1 ARG 1 55 -12.411 -16.877 1.695 1.00 0.00 N ATOM 514 NH2 ARG 1 55 -14.252 -16.866 0.328 1.00 0.00 N ATOM 0 H ARG 1 55 -10.730 -12.100 1.681 1.00 0.00 H new ATOM 0 HA ARG 1 55 -8.326 -11.560 0.524 1.00 0.00 H new ATOM 0 HB2 ARG 1 55 -9.109 -13.234 -1.261 1.00 0.00 H new ATOM 0 HB3 ARG 1 55 -9.141 -13.768 0.408 1.00 0.00 H new ATOM 0 HG2 ARG 1 55 -11.675 -12.519 -0.344 1.00 0.00 H new ATOM 0 HG3 ARG 1 55 -11.265 -13.827 -1.436 1.00 0.00 H new ATOM 0 HD2 ARG 1 55 -10.717 -15.161 0.770 1.00 0.00 H new ATOM 0 HD3 ARG 1 55 -11.683 -13.928 1.556 1.00 0.00 H new ATOM 0 HE ARG 1 55 -13.315 -14.723 -0.515 1.00 0.00 H new ATOM 0 HH11 ARG 1 55 -11.548 -16.441 2.021 1.00 0.00 H new ATOM 0 HH12 ARG 1 55 -12.721 -17.761 2.100 1.00 0.00 H new ATOM 0 HH21 ARG 1 55 -14.810 -16.422 -0.401 1.00 0.00 H new ATOM 0 HH22 ARG 1 55 -14.556 -17.750 0.737 1.00 0.00 H new ATOM 528 N ARG 1 56 -10.742 -10.146 -1.145 1.00 0.00 N ATOM 529 CA ARG 1 56 -11.049 -9.205 -2.216 1.00 0.00 C ATOM 530 C ARG 1 56 -10.489 -7.823 -1.901 1.00 0.00 C ATOM 531 O ARG 1 56 -9.950 -7.145 -2.777 1.00 0.00 O ATOM 532 CB ARG 1 56 -12.561 -9.115 -2.430 1.00 0.00 C ATOM 533 CG ARG 1 56 -13.336 -8.742 -1.175 1.00 0.00 C ATOM 534 CD ARG 1 56 -13.732 -7.273 -1.176 1.00 0.00 C ATOM 535 NE ARG 1 56 -15.168 -7.093 -0.976 1.00 0.00 N ATOM 536 CZ ARG 1 56 -16.088 -7.395 -1.889 1.00 0.00 C ATOM 537 NH1 ARG 1 56 -15.726 -7.890 -3.067 1.00 0.00 N ATOM 538 NH2 ARG 1 56 -17.373 -7.201 -1.626 1.00 0.00 N ATOM 0 H ARG 1 56 -11.527 -10.350 -0.527 1.00 0.00 H new ATOM 0 HA ARG 1 56 -10.581 -9.570 -3.130 1.00 0.00 H new ATOM 0 HB2 ARG 1 56 -12.766 -8.377 -3.205 1.00 0.00 H new ATOM 0 HB3 ARG 1 56 -12.924 -10.074 -2.799 1.00 0.00 H new ATOM 0 HG2 ARG 1 56 -14.231 -9.360 -1.102 1.00 0.00 H new ATOM 0 HG3 ARG 1 56 -12.729 -8.955 -0.295 1.00 0.00 H new ATOM 0 HD2 ARG 1 56 -13.188 -6.750 -0.389 1.00 0.00 H new ATOM 0 HD3 ARG 1 56 -13.438 -6.819 -2.122 1.00 0.00 H new ATOM 0 HE ARG 1 56 -15.484 -6.713 -0.084 1.00 0.00 H new ATOM 0 HH11 ARG 1 56 -14.739 -8.040 -3.275 1.00 0.00 H new ATOM 0 HH12 ARG 1 56 -16.435 -8.120 -3.763 1.00 0.00 H new ATOM 0 HH21 ARG 1 56 -17.657 -6.820 -0.723 1.00 0.00 H new ATOM 0 HH22 ARG 1 56 -18.078 -7.433 -2.326 1.00 0.00 H new ATOM 552 N PHE 1 57 -10.603 -7.419 -0.641 1.00 0.00 N ATOM 553 CA PHE 1 57 -10.091 -6.127 -0.206 1.00 0.00 C ATOM 554 C PHE 1 57 -8.584 -6.112 -0.374 1.00 0.00 C ATOM 555 O PHE 1 57 -8.003 -5.144 -0.863 1.00 0.00 O ATOM 556 CB PHE 1 57 -10.462 -5.879 1.257 1.00 0.00 C ATOM 557 CG PHE 1 57 -10.073 -4.523 1.773 1.00 0.00 C ATOM 558 CD1 PHE 1 57 -8.738 -4.173 1.912 1.00 0.00 C ATOM 559 CD2 PHE 1 57 -11.044 -3.600 2.129 1.00 0.00 C ATOM 560 CE1 PHE 1 57 -8.381 -2.927 2.392 1.00 0.00 C ATOM 561 CE2 PHE 1 57 -10.693 -2.354 2.611 1.00 0.00 C ATOM 562 CZ PHE 1 57 -9.359 -2.017 2.742 1.00 0.00 C ATOM 0 H PHE 1 57 -11.045 -7.968 0.096 1.00 0.00 H new ATOM 0 HA PHE 1 57 -10.533 -5.336 -0.811 1.00 0.00 H new ATOM 0 HB2 PHE 1 57 -11.539 -6.003 1.373 1.00 0.00 H new ATOM 0 HB3 PHE 1 57 -9.985 -6.640 1.874 1.00 0.00 H new ATOM 0 HD1 PHE 1 57 -7.969 -4.882 1.642 1.00 0.00 H new ATOM 0 HD2 PHE 1 57 -12.088 -3.858 2.028 1.00 0.00 H new ATOM 0 HE1 PHE 1 57 -7.338 -2.665 2.493 1.00 0.00 H new ATOM 0 HE2 PHE 1 57 -11.460 -1.644 2.885 1.00 0.00 H new ATOM 0 HZ PHE 1 57 -9.082 -1.043 3.118 1.00 0.00 H new ATOM 572 N ARG 1 58 -7.965 -7.216 0.025 1.00 0.00 N ATOM 573 CA ARG 1 58 -6.530 -7.379 -0.082 1.00 0.00 C ATOM 574 C ARG 1 58 -6.057 -7.106 -1.508 1.00 0.00 C ATOM 575 O ARG 1 58 -5.019 -6.478 -1.721 1.00 0.00 O ATOM 576 CB ARG 1 58 -6.166 -8.800 0.332 1.00 0.00 C ATOM 577 CG ARG 1 58 -5.237 -8.866 1.525 1.00 0.00 C ATOM 578 CD ARG 1 58 -5.979 -8.596 2.824 1.00 0.00 C ATOM 579 NE ARG 1 58 -6.286 -9.829 3.545 1.00 0.00 N ATOM 580 CZ ARG 1 58 -5.401 -10.496 4.283 1.00 0.00 C ATOM 581 NH1 ARG 1 58 -4.155 -10.053 4.399 1.00 0.00 N ATOM 582 NH2 ARG 1 58 -5.763 -11.609 4.906 1.00 0.00 N ATOM 0 H ARG 1 58 -8.447 -8.019 0.430 1.00 0.00 H new ATOM 0 HA ARG 1 58 -6.036 -6.663 0.575 1.00 0.00 H new ATOM 0 HB2 ARG 1 58 -7.080 -9.347 0.563 1.00 0.00 H new ATOM 0 HB3 ARG 1 58 -5.697 -9.306 -0.512 1.00 0.00 H new ATOM 0 HG2 ARG 1 58 -4.769 -9.850 1.569 1.00 0.00 H new ATOM 0 HG3 ARG 1 58 -4.436 -8.137 1.404 1.00 0.00 H new ATOM 0 HD2 ARG 1 58 -5.376 -7.946 3.458 1.00 0.00 H new ATOM 0 HD3 ARG 1 58 -6.904 -8.062 2.609 1.00 0.00 H new ATOM 0 HE ARG 1 58 -7.234 -10.201 3.479 1.00 0.00 H new ATOM 0 HH11 ARG 1 58 -3.871 -9.198 3.921 1.00 0.00 H new ATOM 0 HH12 ARG 1 58 -3.481 -10.568 4.966 1.00 0.00 H new ATOM 0 HH21 ARG 1 58 -6.719 -11.954 4.820 1.00 0.00 H new ATOM 0 HH22 ARG 1 58 -5.085 -12.120 5.471 1.00 0.00 H new ATOM 596 N ALA 1 59 -6.830 -7.581 -2.480 1.00 0.00 N ATOM 597 CA ALA 1 59 -6.498 -7.388 -3.886 1.00 0.00 C ATOM 598 C ALA 1 59 -6.619 -5.920 -4.277 1.00 0.00 C ATOM 599 O ALA 1 59 -5.761 -5.381 -4.976 1.00 0.00 O ATOM 600 CB ALA 1 59 -7.395 -8.247 -4.764 1.00 0.00 C ATOM 0 H ALA 1 59 -7.691 -8.103 -2.319 1.00 0.00 H new ATOM 0 HA ALA 1 59 -5.463 -7.695 -4.037 1.00 0.00 H new ATOM 0 HB1 ALA 1 59 -7.135 -8.092 -5.811 1.00 0.00 H new ATOM 0 HB2 ALA 1 59 -7.257 -9.297 -4.507 1.00 0.00 H new ATOM 0 HB3 ALA 1 59 -8.436 -7.968 -4.603 1.00 0.00 H new ATOM 606 N ARG 1 60 -7.687 -5.275 -3.816 1.00 0.00 N ATOM 607 CA ARG 1 60 -7.915 -3.866 -4.111 1.00 0.00 C ATOM 608 C ARG 1 60 -6.739 -3.025 -3.631 1.00 0.00 C ATOM 609 O ARG 1 60 -6.364 -2.038 -4.265 1.00 0.00 O ATOM 610 CB ARG 1 60 -9.207 -3.385 -3.449 1.00 0.00 C ATOM 611 CG ARG 1 60 -10.453 -3.648 -4.282 1.00 0.00 C ATOM 612 CD ARG 1 60 -11.416 -4.586 -3.570 1.00 0.00 C ATOM 613 NE ARG 1 60 -11.997 -5.568 -4.483 1.00 0.00 N ATOM 614 CZ ARG 1 60 -12.899 -5.270 -5.416 1.00 0.00 C ATOM 615 NH1 ARG 1 60 -13.324 -4.021 -5.563 1.00 0.00 N ATOM 616 NH2 ARG 1 60 -13.377 -6.223 -6.204 1.00 0.00 N ATOM 0 H ARG 1 60 -8.407 -5.707 -3.237 1.00 0.00 H new ATOM 0 HA ARG 1 60 -8.010 -3.752 -5.191 1.00 0.00 H new ATOM 0 HB2 ARG 1 60 -9.315 -3.878 -2.483 1.00 0.00 H new ATOM 0 HB3 ARG 1 60 -9.129 -2.315 -3.254 1.00 0.00 H new ATOM 0 HG2 ARG 1 60 -10.955 -2.704 -4.495 1.00 0.00 H new ATOM 0 HG3 ARG 1 60 -10.166 -4.080 -5.241 1.00 0.00 H new ATOM 0 HD2 ARG 1 60 -10.891 -5.103 -2.767 1.00 0.00 H new ATOM 0 HD3 ARG 1 60 -12.213 -4.005 -3.107 1.00 0.00 H new ATOM 0 HE ARG 1 60 -11.694 -6.538 -4.401 1.00 0.00 H new ATOM 0 HH11 ARG 1 60 -12.959 -3.284 -4.960 1.00 0.00 H new ATOM 0 HH12 ARG 1 60 -14.015 -3.798 -6.279 1.00 0.00 H new ATOM 0 HH21 ARG 1 60 -13.054 -7.184 -6.095 1.00 0.00 H new ATOM 0 HH22 ARG 1 60 -14.068 -5.995 -6.919 1.00 0.00 H new ATOM 630 N VAL 1 61 -6.156 -3.432 -2.509 1.00 0.00 N ATOM 631 CA VAL 1 61 -5.015 -2.730 -1.940 1.00 0.00 C ATOM 632 C VAL 1 61 -3.773 -2.948 -2.791 1.00 0.00 C ATOM 633 O VAL 1 61 -3.099 -1.996 -3.183 1.00 0.00 O ATOM 634 CB VAL 1 61 -4.722 -3.205 -0.506 1.00 0.00 C ATOM 635 CG1 VAL 1 61 -3.649 -2.343 0.139 1.00 0.00 C ATOM 636 CG2 VAL 1 61 -5.992 -3.206 0.329 1.00 0.00 C ATOM 0 H VAL 1 61 -6.457 -4.247 -1.975 1.00 0.00 H new ATOM 0 HA VAL 1 61 -5.268 -1.670 -1.919 1.00 0.00 H new ATOM 0 HB VAL 1 61 -4.348 -4.228 -0.555 1.00 0.00 H new ATOM 0 HG11 VAL 1 61 -3.458 -2.697 1.152 1.00 0.00 H new ATOM 0 HG12 VAL 1 61 -2.732 -2.406 -0.446 1.00 0.00 H new ATOM 0 HG13 VAL 1 61 -3.987 -1.307 0.174 1.00 0.00 H new ATOM 0 HG21 VAL 1 61 -5.763 -3.545 1.339 1.00 0.00 H new ATOM 0 HG22 VAL 1 61 -6.402 -2.197 0.369 1.00 0.00 H new ATOM 0 HG23 VAL 1 61 -6.723 -3.877 -0.122 1.00 0.00 H new ATOM 646 N ASP 1 62 -3.477 -4.213 -3.073 1.00 0.00 N ATOM 647 CA ASP 1 62 -2.315 -4.562 -3.879 1.00 0.00 C ATOM 648 C ASP 1 62 -2.362 -3.857 -5.227 1.00 0.00 C ATOM 649 O ASP 1 62 -1.374 -3.271 -5.670 1.00 0.00 O ATOM 650 CB ASP 1 62 -2.242 -6.077 -4.082 1.00 0.00 C ATOM 651 CG ASP 1 62 -0.822 -6.564 -4.292 1.00 0.00 C ATOM 652 OD1 ASP 1 62 -0.046 -5.858 -4.969 1.00 0.00 O ATOM 653 OD2 ASP 1 62 -0.486 -7.652 -3.778 1.00 0.00 O ATOM 0 H ASP 1 62 -4.026 -5.012 -2.755 1.00 0.00 H new ATOM 0 HA ASP 1 62 -1.422 -4.234 -3.347 1.00 0.00 H new ATOM 0 HB2 ASP 1 62 -2.670 -6.578 -3.214 1.00 0.00 H new ATOM 0 HB3 ASP 1 62 -2.850 -6.355 -4.943 1.00 0.00 H new ATOM 658 N ASP 1 63 -3.522 -3.912 -5.872 1.00 0.00 N ATOM 659 CA ASP 1 63 -3.705 -3.271 -7.167 1.00 0.00 C ATOM 660 C ASP 1 63 -3.432 -1.777 -7.061 1.00 0.00 C ATOM 661 O ASP 1 63 -2.751 -1.196 -7.906 1.00 0.00 O ATOM 662 CB ASP 1 63 -5.127 -3.508 -7.676 1.00 0.00 C ATOM 663 CG ASP 1 63 -5.244 -3.323 -9.176 1.00 0.00 C ATOM 664 OD1 ASP 1 63 -5.418 -2.169 -9.620 1.00 0.00 O ATOM 665 OD2 ASP 1 63 -5.161 -4.333 -9.907 1.00 0.00 O ATOM 0 H ASP 1 63 -4.349 -4.394 -5.519 1.00 0.00 H new ATOM 0 HA ASP 1 63 -2.999 -3.707 -7.874 1.00 0.00 H new ATOM 0 HB2 ASP 1 63 -5.441 -4.518 -7.412 1.00 0.00 H new ATOM 0 HB3 ASP 1 63 -5.809 -2.821 -7.174 1.00 0.00 H new ATOM 670 N ALA 1 64 -3.962 -1.163 -6.008 1.00 0.00 N ATOM 671 CA ALA 1 64 -3.770 0.263 -5.780 1.00 0.00 C ATOM 672 C ALA 1 64 -2.285 0.602 -5.724 1.00 0.00 C ATOM 673 O ALA 1 64 -1.787 1.391 -6.527 1.00 0.00 O ATOM 674 CB ALA 1 64 -4.463 0.693 -4.496 1.00 0.00 C ATOM 0 H ALA 1 64 -4.527 -1.631 -5.300 1.00 0.00 H new ATOM 0 HA ALA 1 64 -4.215 0.808 -6.613 1.00 0.00 H new ATOM 0 HB1 ALA 1 64 -4.310 1.761 -4.340 1.00 0.00 H new ATOM 0 HB2 ALA 1 64 -5.531 0.487 -4.572 1.00 0.00 H new ATOM 0 HB3 ALA 1 64 -4.046 0.140 -3.655 1.00 0.00 H new ATOM 680 N ILE 1 65 -1.579 -0.012 -4.780 1.00 0.00 N ATOM 681 CA ILE 1 65 -0.148 0.211 -4.629 1.00 0.00 C ATOM 682 C ILE 1 65 0.584 -0.114 -5.921 1.00 0.00 C ATOM 683 O ILE 1 65 1.305 0.715 -6.463 1.00 0.00 O ATOM 684 CB ILE 1 65 0.442 -0.661 -3.505 1.00 0.00 C ATOM 685 CG1 ILE 1 65 -0.227 -0.333 -2.169 1.00 0.00 C ATOM 686 CG2 ILE 1 65 1.951 -0.469 -3.413 1.00 0.00 C ATOM 687 CD1 ILE 1 65 -0.950 -1.508 -1.552 1.00 0.00 C ATOM 0 H ILE 1 65 -1.976 -0.668 -4.108 1.00 0.00 H new ATOM 0 HA ILE 1 65 -0.015 1.263 -4.377 1.00 0.00 H new ATOM 0 HB ILE 1 65 0.246 -1.707 -3.740 1.00 0.00 H new ATOM 0 HG12 ILE 1 65 0.530 0.025 -1.471 1.00 0.00 H new ATOM 0 HG13 ILE 1 65 -0.935 0.482 -2.317 1.00 0.00 H new ATOM 0 HG21 ILE 1 65 2.349 -1.093 -2.613 1.00 0.00 H new ATOM 0 HG22 ILE 1 65 2.412 -0.753 -4.359 1.00 0.00 H new ATOM 0 HG23 ILE 1 65 2.172 0.577 -3.201 1.00 0.00 H new ATOM 0 HD11 ILE 1 65 -1.400 -1.203 -0.607 1.00 0.00 H new ATOM 0 HD12 ILE 1 65 -1.730 -1.853 -2.231 1.00 0.00 H new ATOM 0 HD13 ILE 1 65 -0.242 -2.317 -1.372 1.00 0.00 H new ATOM 699 N ARG 1 66 0.394 -1.337 -6.397 1.00 0.00 N ATOM 700 CA ARG 1 66 1.037 -1.799 -7.619 1.00 0.00 C ATOM 701 C ARG 1 66 0.766 -0.851 -8.780 1.00 0.00 C ATOM 702 O ARG 1 66 1.642 -0.611 -9.606 1.00 0.00 O ATOM 703 CB ARG 1 66 0.540 -3.202 -7.964 1.00 0.00 C ATOM 704 CG ARG 1 66 1.301 -3.854 -9.103 1.00 0.00 C ATOM 705 CD ARG 1 66 1.011 -5.344 -9.187 1.00 0.00 C ATOM 706 NE ARG 1 66 1.740 -6.102 -8.173 1.00 0.00 N ATOM 707 CZ ARG 1 66 1.768 -7.432 -8.119 1.00 0.00 C ATOM 708 NH1 ARG 1 66 1.110 -8.154 -9.018 1.00 0.00 N ATOM 709 NH2 ARG 1 66 2.456 -8.042 -7.164 1.00 0.00 N ATOM 0 H ARG 1 66 -0.205 -2.032 -5.951 1.00 0.00 H new ATOM 0 HA ARG 1 66 2.113 -1.823 -7.449 1.00 0.00 H new ATOM 0 HB2 ARG 1 66 0.617 -3.833 -7.079 1.00 0.00 H new ATOM 0 HB3 ARG 1 66 -0.516 -3.149 -8.227 1.00 0.00 H new ATOM 0 HG2 ARG 1 66 1.029 -3.376 -10.044 1.00 0.00 H new ATOM 0 HG3 ARG 1 66 2.371 -3.698 -8.963 1.00 0.00 H new ATOM 0 HD2 ARG 1 66 -0.059 -5.512 -9.066 1.00 0.00 H new ATOM 0 HD3 ARG 1 66 1.281 -5.711 -10.177 1.00 0.00 H new ATOM 0 HE ARG 1 66 2.258 -5.582 -7.465 1.00 0.00 H new ATOM 0 HH11 ARG 1 66 0.579 -7.690 -9.755 1.00 0.00 H new ATOM 0 HH12 ARG 1 66 1.135 -9.173 -8.971 1.00 0.00 H new ATOM 0 HH21 ARG 1 66 2.964 -7.492 -6.471 1.00 0.00 H new ATOM 0 HH22 ARG 1 66 2.478 -9.061 -7.122 1.00 0.00 H new ATOM 723 N GLU 1 67 -0.445 -0.307 -8.840 1.00 0.00 N ATOM 724 CA GLU 1 67 -0.800 0.622 -9.905 1.00 0.00 C ATOM 725 C GLU 1 67 0.052 1.878 -9.799 1.00 0.00 C ATOM 726 O GLU 1 67 0.787 2.220 -10.725 1.00 0.00 O ATOM 727 CB GLU 1 67 -2.285 0.980 -9.837 1.00 0.00 C ATOM 728 CG GLU 1 67 -3.186 -0.022 -10.541 1.00 0.00 C ATOM 729 CD GLU 1 67 -3.500 0.380 -11.969 1.00 0.00 C ATOM 730 OE1 GLU 1 67 -2.630 1.000 -12.616 1.00 0.00 O ATOM 731 OE2 GLU 1 67 -4.616 0.075 -12.439 1.00 0.00 O ATOM 0 H GLU 1 67 -1.191 -0.492 -8.169 1.00 0.00 H new ATOM 0 HA GLU 1 67 -0.610 0.142 -10.865 1.00 0.00 H new ATOM 0 HB2 GLU 1 67 -2.585 1.054 -8.792 1.00 0.00 H new ATOM 0 HB3 GLU 1 67 -2.434 1.964 -10.281 1.00 0.00 H new ATOM 0 HG2 GLU 1 67 -2.706 -1.000 -10.540 1.00 0.00 H new ATOM 0 HG3 GLU 1 67 -4.117 -0.123 -9.983 1.00 0.00 H new ATOM 738 N GLY 1 68 -0.029 2.551 -8.654 1.00 0.00 N ATOM 739 CA GLY 1 68 0.768 3.741 -8.451 1.00 0.00 C ATOM 740 C GLY 1 68 2.244 3.412 -8.478 1.00 0.00 C ATOM 741 O GLY 1 68 3.054 4.188 -8.979 1.00 0.00 O ATOM 0 H GLY 1 68 -0.629 2.293 -7.870 1.00 0.00 H new ATOM 0 HA2 GLY 1 68 0.540 4.473 -9.226 1.00 0.00 H new ATOM 0 HA3 GLY 1 68 0.510 4.198 -7.495 1.00 0.00 H new ATOM 745 N LEU 1 69 2.578 2.236 -7.951 1.00 0.00 N ATOM 746 CA LEU 1 69 3.955 1.756 -7.914 1.00 0.00 C ATOM 747 C LEU 1 69 4.422 1.411 -9.322 1.00 0.00 C ATOM 748 O LEU 1 69 5.591 1.581 -9.667 1.00 0.00 O ATOM 749 CB LEU 1 69 4.061 0.521 -6.994 1.00 0.00 C ATOM 750 CG LEU 1 69 4.157 0.823 -5.491 1.00 0.00 C ATOM 751 CD1 LEU 1 69 4.771 -0.357 -4.756 1.00 0.00 C ATOM 752 CD2 LEU 1 69 4.976 2.085 -5.234 1.00 0.00 C ATOM 0 H LEU 1 69 1.903 1.592 -7.539 1.00 0.00 H new ATOM 0 HA LEU 1 69 4.596 2.542 -7.515 1.00 0.00 H new ATOM 0 HB2 LEU 1 69 3.191 -0.113 -7.165 1.00 0.00 H new ATOM 0 HB3 LEU 1 69 4.938 -0.055 -7.288 1.00 0.00 H new ATOM 0 HG LEU 1 69 3.148 0.991 -5.116 1.00 0.00 H new ATOM 0 HD11 LEU 1 69 4.833 -0.130 -3.692 1.00 0.00 H new ATOM 0 HD12 LEU 1 69 4.150 -1.240 -4.903 1.00 0.00 H new ATOM 0 HD13 LEU 1 69 5.771 -0.548 -5.146 1.00 0.00 H new ATOM 0 HD21 LEU 1 69 5.027 2.274 -4.162 1.00 0.00 H new ATOM 0 HD22 LEU 1 69 5.984 1.951 -5.627 1.00 0.00 H new ATOM 0 HD23 LEU 1 69 4.503 2.933 -5.730 1.00 0.00 H new ATOM 764 N LYS 1 70 3.490 0.933 -10.132 1.00 0.00 N ATOM 765 CA LYS 1 70 3.783 0.560 -11.507 1.00 0.00 C ATOM 766 C LYS 1 70 4.113 1.788 -12.355 1.00 0.00 C ATOM 767 O LYS 1 70 4.713 1.672 -13.424 1.00 0.00 O ATOM 768 CB LYS 1 70 2.589 -0.191 -12.110 1.00 0.00 C ATOM 769 CG LYS 1 70 2.670 -0.373 -13.618 1.00 0.00 C ATOM 770 CD LYS 1 70 1.458 -1.114 -14.158 1.00 0.00 C ATOM 771 CE LYS 1 70 1.785 -2.565 -14.465 1.00 0.00 C ATOM 772 NZ LYS 1 70 0.811 -3.164 -15.419 1.00 0.00 N ATOM 0 H LYS 1 70 2.517 0.794 -9.858 1.00 0.00 H new ATOM 0 HA LYS 1 70 4.656 -0.092 -11.504 1.00 0.00 H new ATOM 0 HB2 LYS 1 70 2.514 -1.171 -11.640 1.00 0.00 H new ATOM 0 HB3 LYS 1 70 1.674 0.349 -11.868 1.00 0.00 H new ATOM 0 HG2 LYS 1 70 2.745 0.602 -14.099 1.00 0.00 H new ATOM 0 HG3 LYS 1 70 3.576 -0.924 -13.870 1.00 0.00 H new ATOM 0 HD2 LYS 1 70 0.648 -1.068 -13.430 1.00 0.00 H new ATOM 0 HD3 LYS 1 70 1.102 -0.621 -15.062 1.00 0.00 H new ATOM 0 HE2 LYS 1 70 2.790 -2.630 -14.883 1.00 0.00 H new ATOM 0 HE3 LYS 1 70 1.787 -3.140 -13.539 1.00 0.00 H new ATOM 0 HZ1 LYS 1 70 1.069 -4.155 -15.603 1.00 0.00 H new ATOM 0 HZ2 LYS 1 70 -0.144 -3.125 -15.010 1.00 0.00 H new ATOM 0 HZ3 LYS 1 70 0.827 -2.631 -16.312 1.00 0.00 H new ATOM 786 N ALA 1 71 3.692 2.957 -11.887 1.00 0.00 N ATOM 787 CA ALA 1 71 3.917 4.199 -12.617 1.00 0.00 C ATOM 788 C ALA 1 71 5.105 5.004 -12.090 1.00 0.00 C ATOM 789 O ALA 1 71 5.434 6.055 -12.641 1.00 0.00 O ATOM 790 CB ALA 1 71 2.653 5.045 -12.592 1.00 0.00 C ATOM 0 H ALA 1 71 3.193 3.071 -11.005 1.00 0.00 H new ATOM 0 HA ALA 1 71 4.165 3.924 -13.642 1.00 0.00 H new ATOM 0 HB1 ALA 1 71 2.825 5.972 -13.138 1.00 0.00 H new ATOM 0 HB2 ALA 1 71 1.837 4.494 -13.060 1.00 0.00 H new ATOM 0 HB3 ALA 1 71 2.390 5.276 -11.560 1.00 0.00 H new ATOM 796 N LEU 1 72 5.730 4.539 -11.017 1.00 0.00 N ATOM 797 CA LEU 1 72 6.856 5.265 -10.432 1.00 0.00 C ATOM 798 C LEU 1 72 8.156 4.464 -10.471 1.00 0.00 C ATOM 799 O LEU 1 72 9.083 4.749 -9.712 1.00 0.00 O ATOM 800 CB LEU 1 72 6.526 5.644 -8.990 1.00 0.00 C ATOM 801 CG LEU 1 72 5.814 4.552 -8.199 1.00 0.00 C ATOM 802 CD1 LEU 1 72 6.813 3.512 -7.715 1.00 0.00 C ATOM 803 CD2 LEU 1 72 5.045 5.153 -7.032 1.00 0.00 C ATOM 0 H LEU 1 72 5.483 3.674 -10.537 1.00 0.00 H new ATOM 0 HA LEU 1 72 7.013 6.161 -11.033 1.00 0.00 H new ATOM 0 HB2 LEU 1 72 7.451 5.905 -8.475 1.00 0.00 H new ATOM 0 HB3 LEU 1 72 5.902 6.537 -8.996 1.00 0.00 H new ATOM 0 HG LEU 1 72 5.098 4.057 -8.855 1.00 0.00 H new ATOM 0 HD11 LEU 1 72 6.290 2.739 -7.152 1.00 0.00 H new ATOM 0 HD12 LEU 1 72 7.313 3.061 -8.572 1.00 0.00 H new ATOM 0 HD13 LEU 1 72 7.553 3.990 -7.073 1.00 0.00 H new ATOM 0 HD21 LEU 1 72 4.543 4.359 -6.479 1.00 0.00 H new ATOM 0 HD22 LEU 1 72 5.737 5.675 -6.370 1.00 0.00 H new ATOM 0 HD23 LEU 1 72 4.303 5.857 -7.409 1.00 0.00 H new ATOM 815 N GLY 1 73 8.238 3.477 -11.358 1.00 0.00 N ATOM 816 CA GLY 1 73 9.456 2.687 -11.457 1.00 0.00 C ATOM 817 C GLY 1 73 9.235 1.196 -11.300 1.00 0.00 C ATOM 818 O GLY 1 73 10.130 0.405 -11.596 1.00 0.00 O ATOM 0 H GLY 1 73 7.494 3.211 -12.003 1.00 0.00 H new ATOM 0 HA2 GLY 1 73 9.922 2.875 -12.424 1.00 0.00 H new ATOM 0 HA3 GLY 1 73 10.158 3.023 -10.694 1.00 0.00 H new ATOM 822 N TYR 1 74 8.058 0.798 -10.833 1.00 0.00 N ATOM 823 CA TYR 1 74 7.769 -0.615 -10.645 1.00 0.00 C ATOM 824 C TYR 1 74 6.818 -1.134 -11.716 1.00 0.00 C ATOM 825 O TYR 1 74 6.269 -0.363 -12.501 1.00 0.00 O ATOM 826 CB TYR 1 74 7.171 -0.849 -9.262 1.00 0.00 C ATOM 827 CG TYR 1 74 8.071 -0.406 -8.131 1.00 0.00 C ATOM 828 CD1 TYR 1 74 9.373 -0.878 -8.027 1.00 0.00 C ATOM 829 CD2 TYR 1 74 7.620 0.488 -7.170 1.00 0.00 C ATOM 830 CE1 TYR 1 74 10.198 -0.470 -6.997 1.00 0.00 C ATOM 831 CE2 TYR 1 74 8.439 0.901 -6.137 1.00 0.00 C ATOM 832 CZ TYR 1 74 9.727 0.419 -6.056 1.00 0.00 C ATOM 833 OH TYR 1 74 10.548 0.826 -5.029 1.00 0.00 O ATOM 0 H TYR 1 74 7.296 1.428 -10.580 1.00 0.00 H new ATOM 0 HA TYR 1 74 8.707 -1.163 -10.731 1.00 0.00 H new ATOM 0 HB2 TYR 1 74 6.223 -0.316 -9.191 1.00 0.00 H new ATOM 0 HB3 TYR 1 74 6.950 -1.910 -9.145 1.00 0.00 H new ATOM 0 HD1 TYR 1 74 9.746 -1.575 -8.763 1.00 0.00 H new ATOM 0 HD2 TYR 1 74 6.611 0.868 -7.231 1.00 0.00 H new ATOM 0 HE1 TYR 1 74 11.208 -0.846 -6.930 1.00 0.00 H new ATOM 0 HE2 TYR 1 74 8.072 1.597 -5.398 1.00 0.00 H new ATOM 0 HH TYR 1 74 11.480 0.815 -5.331 1.00 0.00 H new ATOM 843 N TYR 1 75 6.631 -2.449 -11.739 1.00 0.00 N ATOM 844 CA TYR 1 75 5.741 -3.080 -12.703 1.00 0.00 C ATOM 845 C TYR 1 75 4.678 -3.905 -11.987 1.00 0.00 C ATOM 846 O TYR 1 75 3.489 -3.795 -12.284 1.00 0.00 O ATOM 847 CB TYR 1 75 6.531 -3.958 -13.666 1.00 0.00 C ATOM 848 CG TYR 1 75 6.959 -3.226 -14.912 1.00 0.00 C ATOM 849 CD1 TYR 1 75 6.034 -2.881 -15.888 1.00 0.00 C ATOM 850 CD2 TYR 1 75 8.286 -2.876 -15.110 1.00 0.00 C ATOM 851 CE1 TYR 1 75 6.420 -2.208 -17.029 1.00 0.00 C ATOM 852 CE2 TYR 1 75 8.683 -2.202 -16.249 1.00 0.00 C ATOM 853 CZ TYR 1 75 7.746 -1.870 -17.206 1.00 0.00 C ATOM 854 OH TYR 1 75 8.136 -1.199 -18.342 1.00 0.00 O ATOM 0 H TYR 1 75 7.086 -3.099 -11.098 1.00 0.00 H new ATOM 0 HA TYR 1 75 5.246 -2.296 -13.276 1.00 0.00 H new ATOM 0 HB2 TYR 1 75 7.414 -4.344 -13.156 1.00 0.00 H new ATOM 0 HB3 TYR 1 75 5.923 -4.818 -13.947 1.00 0.00 H new ATOM 0 HD1 TYR 1 75 4.995 -3.144 -15.752 1.00 0.00 H new ATOM 0 HD2 TYR 1 75 9.021 -3.134 -14.362 1.00 0.00 H new ATOM 0 HE1 TYR 1 75 5.688 -1.947 -17.779 1.00 0.00 H new ATOM 0 HE2 TYR 1 75 9.720 -1.937 -16.389 1.00 0.00 H new ATOM 0 HH TYR 1 75 9.102 -1.036 -18.310 1.00 0.00 H new ATOM 864 N GLN 1 76 5.112 -4.721 -11.031 1.00 0.00 N ATOM 865 CA GLN 1 76 4.190 -5.550 -10.266 1.00 0.00 C ATOM 866 C GLN 1 76 4.794 -5.957 -8.921 1.00 0.00 C ATOM 867 O GLN 1 76 4.856 -7.142 -8.594 1.00 0.00 O ATOM 868 CB GLN 1 76 3.811 -6.797 -11.068 1.00 0.00 C ATOM 869 CG GLN 1 76 2.995 -6.494 -12.315 1.00 0.00 C ATOM 870 CD GLN 1 76 2.520 -7.749 -13.019 1.00 0.00 C ATOM 871 OE1 GLN 1 76 3.320 -8.513 -13.559 1.00 0.00 O ATOM 872 NE2 GLN 1 76 1.210 -7.969 -13.018 1.00 0.00 N ATOM 0 H GLN 1 76 6.092 -4.825 -10.769 1.00 0.00 H new ATOM 0 HA GLN 1 76 3.293 -4.962 -10.071 1.00 0.00 H new ATOM 0 HB2 GLN 1 76 4.721 -7.323 -11.358 1.00 0.00 H new ATOM 0 HB3 GLN 1 76 3.243 -7.472 -10.428 1.00 0.00 H new ATOM 0 HG2 GLN 1 76 2.132 -5.886 -12.042 1.00 0.00 H new ATOM 0 HG3 GLN 1 76 3.597 -5.901 -13.004 1.00 0.00 H new ATOM 0 HE21 GLN 1 76 0.582 -7.309 -12.558 1.00 0.00 H new ATOM 0 HE22 GLN 1 76 0.832 -8.798 -13.477 1.00 0.00 H new ATOM 881 N PRO 1 77 5.246 -4.976 -8.117 1.00 0.00 N ATOM 882 CA PRO 1 77 5.841 -5.241 -6.804 1.00 0.00 C ATOM 883 C PRO 1 77 4.997 -6.167 -5.944 1.00 0.00 C ATOM 884 O PRO 1 77 3.810 -5.921 -5.733 1.00 0.00 O ATOM 885 CB PRO 1 77 5.899 -3.856 -6.160 1.00 0.00 C ATOM 886 CG PRO 1 77 6.029 -2.923 -7.301 1.00 0.00 C ATOM 887 CD PRO 1 77 5.224 -3.530 -8.422 1.00 0.00 C ATOM 0 HA PRO 1 77 6.805 -5.740 -6.899 1.00 0.00 H new ATOM 0 HB2 PRO 1 77 5.000 -3.650 -5.579 1.00 0.00 H new ATOM 0 HB3 PRO 1 77 6.745 -3.770 -5.478 1.00 0.00 H new ATOM 0 HG2 PRO 1 77 5.653 -1.933 -7.041 1.00 0.00 H new ATOM 0 HG3 PRO 1 77 7.073 -2.802 -7.590 1.00 0.00 H new ATOM 0 HD2 PRO 1 77 4.207 -3.139 -8.443 1.00 0.00 H new ATOM 0 HD3 PRO 1 77 5.667 -3.318 -9.395 1.00 0.00 H new ATOM 895 N THR 1 78 5.621 -7.216 -5.420 1.00 0.00 N ATOM 896 CA THR 1 78 4.914 -8.142 -4.553 1.00 0.00 C ATOM 897 C THR 1 78 4.598 -7.437 -3.244 1.00 0.00 C ATOM 898 O THR 1 78 5.481 -7.232 -2.410 1.00 0.00 O ATOM 899 CB THR 1 78 5.757 -9.392 -4.295 1.00 0.00 C ATOM 900 OG1 THR 1 78 6.557 -9.700 -5.422 1.00 0.00 O ATOM 901 CG2 THR 1 78 4.929 -10.617 -3.971 1.00 0.00 C ATOM 0 H THR 1 78 6.603 -7.442 -5.579 1.00 0.00 H new ATOM 0 HA THR 1 78 3.989 -8.459 -5.035 1.00 0.00 H new ATOM 0 HB THR 1 78 6.372 -9.150 -3.429 1.00 0.00 H new ATOM 0 HG1 THR 1 78 7.413 -9.228 -5.354 1.00 0.00 H new ATOM 0 HG21 THR 1 78 5.589 -11.467 -3.799 1.00 0.00 H new ATOM 0 HG22 THR 1 78 4.338 -10.430 -3.075 1.00 0.00 H new ATOM 0 HG23 THR 1 78 4.263 -10.837 -4.805 1.00 0.00 H new ATOM 909 N ILE 1 79 3.345 -7.035 -3.082 1.00 0.00 N ATOM 910 CA ILE 1 79 2.932 -6.318 -1.888 1.00 0.00 C ATOM 911 C ILE 1 79 1.992 -7.150 -1.021 1.00 0.00 C ATOM 912 O ILE 1 79 0.855 -7.428 -1.402 1.00 0.00 O ATOM 913 CB ILE 1 79 2.261 -4.978 -2.262 1.00 0.00 C ATOM 914 CG1 ILE 1 79 3.223 -4.130 -3.104 1.00 0.00 C ATOM 915 CG2 ILE 1 79 1.838 -4.220 -1.010 1.00 0.00 C ATOM 916 CD1 ILE 1 79 2.591 -3.509 -4.335 1.00 0.00 C ATOM 0 H ILE 1 79 2.600 -7.193 -3.761 1.00 0.00 H new ATOM 0 HA ILE 1 79 3.831 -6.117 -1.306 1.00 0.00 H new ATOM 0 HB ILE 1 79 1.367 -5.186 -2.850 1.00 0.00 H new ATOM 0 HG12 ILE 1 79 3.631 -3.336 -2.479 1.00 0.00 H new ATOM 0 HG13 ILE 1 79 4.061 -4.753 -3.415 1.00 0.00 H new ATOM 0 HG21 ILE 1 79 1.368 -3.279 -1.296 1.00 0.00 H new ATOM 0 HG22 ILE 1 79 1.129 -4.822 -0.442 1.00 0.00 H new ATOM 0 HG23 ILE 1 79 2.714 -4.015 -0.395 1.00 0.00 H new ATOM 0 HD11 ILE 1 79 3.339 -2.927 -4.873 1.00 0.00 H new ATOM 0 HD12 ILE 1 79 2.208 -4.297 -4.984 1.00 0.00 H new ATOM 0 HD13 ILE 1 79 1.771 -2.857 -4.033 1.00 0.00 H new ATOM 928 N GLU 1 80 2.480 -7.530 0.157 1.00 0.00 N ATOM 929 CA GLU 1 80 1.693 -8.317 1.101 1.00 0.00 C ATOM 930 C GLU 1 80 1.014 -7.396 2.107 1.00 0.00 C ATOM 931 O GLU 1 80 1.207 -6.181 2.065 1.00 0.00 O ATOM 932 CB GLU 1 80 2.583 -9.326 1.829 1.00 0.00 C ATOM 933 CG GLU 1 80 2.960 -10.529 0.979 1.00 0.00 C ATOM 934 CD GLU 1 80 2.034 -11.710 1.198 1.00 0.00 C ATOM 935 OE1 GLU 1 80 0.834 -11.591 0.874 1.00 0.00 O ATOM 936 OE2 GLU 1 80 2.510 -12.753 1.694 1.00 0.00 O ATOM 0 H GLU 1 80 3.420 -7.304 0.481 1.00 0.00 H new ATOM 0 HA GLU 1 80 0.930 -8.864 0.548 1.00 0.00 H new ATOM 0 HB2 GLU 1 80 3.493 -8.824 2.158 1.00 0.00 H new ATOM 0 HB3 GLU 1 80 2.068 -9.672 2.725 1.00 0.00 H new ATOM 0 HG2 GLU 1 80 2.940 -10.246 -0.074 1.00 0.00 H new ATOM 0 HG3 GLU 1 80 3.983 -10.826 1.210 1.00 0.00 H new ATOM 943 N PHE 1 81 0.213 -7.964 3.004 1.00 0.00 N ATOM 944 CA PHE 1 81 -0.486 -7.153 3.994 1.00 0.00 C ATOM 945 C PHE 1 81 -0.747 -7.914 5.288 1.00 0.00 C ATOM 946 O PHE 1 81 -0.798 -9.144 5.307 1.00 0.00 O ATOM 947 CB PHE 1 81 -1.815 -6.650 3.423 1.00 0.00 C ATOM 948 CG PHE 1 81 -1.747 -6.308 1.964 1.00 0.00 C ATOM 949 CD1 PHE 1 81 -1.236 -5.089 1.551 1.00 0.00 C ATOM 950 CD2 PHE 1 81 -2.183 -7.209 1.006 1.00 0.00 C ATOM 951 CE1 PHE 1 81 -1.162 -4.774 0.209 1.00 0.00 C ATOM 952 CE2 PHE 1 81 -2.110 -6.900 -0.338 1.00 0.00 C ATOM 953 CZ PHE 1 81 -1.599 -5.680 -0.736 1.00 0.00 C ATOM 0 H PHE 1 81 0.034 -8.966 3.066 1.00 0.00 H new ATOM 0 HA PHE 1 81 0.163 -6.310 4.229 1.00 0.00 H new ATOM 0 HB2 PHE 1 81 -2.579 -7.413 3.574 1.00 0.00 H new ATOM 0 HB3 PHE 1 81 -2.131 -5.768 3.981 1.00 0.00 H new ATOM 0 HD1 PHE 1 81 -0.892 -4.377 2.287 1.00 0.00 H new ATOM 0 HD2 PHE 1 81 -2.584 -8.163 1.314 1.00 0.00 H new ATOM 0 HE1 PHE 1 81 -0.763 -3.820 -0.101 1.00 0.00 H new ATOM 0 HE2 PHE 1 81 -2.452 -7.611 -1.076 1.00 0.00 H new ATOM 0 HZ PHE 1 81 -1.541 -5.435 -1.786 1.00 0.00 H new ATOM 963 N ASP 1 82 -0.930 -7.155 6.363 1.00 0.00 N ATOM 964 CA ASP 1 82 -1.211 -7.717 7.677 1.00 0.00 C ATOM 965 C ASP 1 82 -2.255 -6.861 8.383 1.00 0.00 C ATOM 966 O ASP 1 82 -1.928 -5.851 9.005 1.00 0.00 O ATOM 967 CB ASP 1 82 0.066 -7.792 8.514 1.00 0.00 C ATOM 968 CG ASP 1 82 -0.173 -8.398 9.883 1.00 0.00 C ATOM 969 OD1 ASP 1 82 -0.962 -7.819 10.660 1.00 0.00 O ATOM 970 OD2 ASP 1 82 0.427 -9.453 10.179 1.00 0.00 O ATOM 0 H ASP 1 82 -0.888 -6.136 6.347 1.00 0.00 H new ATOM 0 HA ASP 1 82 -1.597 -8.729 7.555 1.00 0.00 H new ATOM 0 HB2 ASP 1 82 0.811 -8.385 7.983 1.00 0.00 H new ATOM 0 HB3 ASP 1 82 0.480 -6.790 8.631 1.00 0.00 H new ATOM 975 N LEU 1 83 -3.516 -7.257 8.258 1.00 0.00 N ATOM 976 CA LEU 1 83 -4.616 -6.519 8.853 1.00 0.00 C ATOM 977 C LEU 1 83 -4.641 -6.647 10.372 1.00 0.00 C ATOM 978 O LEU 1 83 -4.383 -7.715 10.927 1.00 0.00 O ATOM 979 CB LEU 1 83 -5.929 -7.020 8.263 1.00 0.00 C ATOM 980 CG LEU 1 83 -7.186 -6.307 8.751 1.00 0.00 C ATOM 981 CD1 LEU 1 83 -7.181 -4.849 8.318 1.00 0.00 C ATOM 982 CD2 LEU 1 83 -8.416 -7.025 8.222 1.00 0.00 C ATOM 0 H LEU 1 83 -3.800 -8.092 7.745 1.00 0.00 H new ATOM 0 HA LEU 1 83 -4.478 -5.462 8.624 1.00 0.00 H new ATOM 0 HB2 LEU 1 83 -5.878 -6.927 7.178 1.00 0.00 H new ATOM 0 HB3 LEU 1 83 -6.025 -8.082 8.487 1.00 0.00 H new ATOM 0 HG LEU 1 83 -7.206 -6.328 9.841 1.00 0.00 H new ATOM 0 HD11 LEU 1 83 -8.087 -4.360 8.677 1.00 0.00 H new ATOM 0 HD12 LEU 1 83 -6.308 -4.348 8.736 1.00 0.00 H new ATOM 0 HD13 LEU 1 83 -7.145 -4.793 7.230 1.00 0.00 H new ATOM 0 HD21 LEU 1 83 -9.314 -6.515 8.571 1.00 0.00 H new ATOM 0 HD22 LEU 1 83 -8.398 -7.023 7.132 1.00 0.00 H new ATOM 0 HD23 LEU 1 83 -8.420 -8.054 8.582 1.00 0.00 H new ATOM 994 N ARG 1 84 -4.976 -5.542 11.031 1.00 0.00 N ATOM 995 CA ARG 1 84 -5.066 -5.498 12.483 1.00 0.00 C ATOM 996 C ARG 1 84 -6.287 -4.681 12.894 1.00 0.00 C ATOM 997 O ARG 1 84 -6.214 -3.459 13.038 1.00 0.00 O ATOM 998 CB ARG 1 84 -3.795 -4.909 13.118 1.00 0.00 C ATOM 999 CG ARG 1 84 -2.808 -4.308 12.136 1.00 0.00 C ATOM 1000 CD ARG 1 84 -1.577 -5.177 11.995 1.00 0.00 C ATOM 1001 NE ARG 1 84 -0.506 -4.763 12.898 1.00 0.00 N ATOM 1002 CZ ARG 1 84 0.126 -3.594 12.814 1.00 0.00 C ATOM 1003 NH1 ARG 1 84 -0.203 -2.721 11.868 1.00 0.00 N ATOM 1004 NH2 ARG 1 84 1.088 -3.296 13.676 1.00 0.00 N ATOM 0 H ARG 1 84 -5.192 -4.656 10.574 1.00 0.00 H new ATOM 0 HA ARG 1 84 -5.167 -6.521 12.846 1.00 0.00 H new ATOM 0 HB2 ARG 1 84 -4.087 -4.140 13.833 1.00 0.00 H new ATOM 0 HB3 ARG 1 84 -3.291 -5.694 13.682 1.00 0.00 H new ATOM 0 HG2 ARG 1 84 -3.286 -4.189 11.163 1.00 0.00 H new ATOM 0 HG3 ARG 1 84 -2.517 -3.313 12.472 1.00 0.00 H new ATOM 0 HD2 ARG 1 84 -1.841 -6.215 12.198 1.00 0.00 H new ATOM 0 HD3 ARG 1 84 -1.220 -5.135 10.966 1.00 0.00 H new ATOM 0 HE ARG 1 84 -0.226 -5.408 13.637 1.00 0.00 H new ATOM 0 HH11 ARG 1 84 -0.943 -2.945 11.202 1.00 0.00 H new ATOM 0 HH12 ARG 1 84 0.284 -1.827 11.808 1.00 0.00 H new ATOM 0 HH21 ARG 1 84 1.345 -3.962 14.404 1.00 0.00 H new ATOM 0 HH22 ARG 1 84 1.572 -2.400 13.611 1.00 0.00 H new ATOM 1018 N PRO 1 85 -7.434 -5.355 13.076 1.00 0.00 N ATOM 1019 CA PRO 1 85 -8.690 -4.707 13.462 1.00 0.00 C ATOM 1020 C PRO 1 85 -8.550 -3.719 14.623 1.00 0.00 C ATOM 1021 O PRO 1 85 -9.263 -2.718 14.666 1.00 0.00 O ATOM 1022 CB PRO 1 85 -9.573 -5.883 13.876 1.00 0.00 C ATOM 1023 CG PRO 1 85 -9.084 -7.022 13.054 1.00 0.00 C ATOM 1024 CD PRO 1 85 -7.602 -6.814 12.905 1.00 0.00 C ATOM 0 HA PRO 1 85 -9.085 -4.103 12.645 1.00 0.00 H new ATOM 0 HB2 PRO 1 85 -9.480 -6.094 14.941 1.00 0.00 H new ATOM 0 HB3 PRO 1 85 -10.626 -5.677 13.682 1.00 0.00 H new ATOM 0 HG2 PRO 1 85 -9.298 -7.974 13.539 1.00 0.00 H new ATOM 0 HG3 PRO 1 85 -9.576 -7.042 12.081 1.00 0.00 H new ATOM 0 HD2 PRO 1 85 -7.042 -7.372 13.655 1.00 0.00 H new ATOM 0 HD3 PRO 1 85 -7.247 -7.146 11.929 1.00 0.00 H new ATOM 1032 N PRO 1 86 -7.664 -3.994 15.603 1.00 0.00 N ATOM 1033 CA PRO 1 86 -7.482 -3.141 16.765 1.00 0.00 C ATOM 1034 C PRO 1 86 -6.261 -2.223 16.673 1.00 0.00 C ATOM 1035 O PRO 1 86 -5.250 -2.462 17.334 1.00 0.00 O ATOM 1036 CB PRO 1 86 -7.283 -4.177 17.873 1.00 0.00 C ATOM 1037 CG PRO 1 86 -6.693 -5.387 17.197 1.00 0.00 C ATOM 1038 CD PRO 1 86 -6.793 -5.168 15.702 1.00 0.00 C ATOM 0 HA PRO 1 86 -8.315 -2.452 16.906 1.00 0.00 H new ATOM 0 HB2 PRO 1 86 -6.617 -3.798 18.649 1.00 0.00 H new ATOM 0 HB3 PRO 1 86 -8.229 -4.421 18.356 1.00 0.00 H new ATOM 0 HG2 PRO 1 86 -5.654 -5.524 17.496 1.00 0.00 H new ATOM 0 HG3 PRO 1 86 -7.230 -6.289 17.489 1.00 0.00 H new ATOM 0 HD2 PRO 1 86 -5.816 -4.986 15.254 1.00 0.00 H new ATOM 0 HD3 PRO 1 86 -7.220 -6.033 15.194 1.00 0.00 H new ATOM 1046 N PRO 1 87 -6.335 -1.146 15.868 1.00 0.00 N ATOM 1047 CA PRO 1 87 -5.228 -0.193 15.727 1.00 0.00 C ATOM 1048 C PRO 1 87 -4.894 0.493 17.042 1.00 0.00 C ATOM 1049 O PRO 1 87 -5.558 0.276 18.056 1.00 0.00 O ATOM 1050 CB PRO 1 87 -5.756 0.840 14.729 1.00 0.00 C ATOM 1051 CG PRO 1 87 -7.233 0.701 14.790 1.00 0.00 C ATOM 1052 CD PRO 1 87 -7.494 -0.755 15.047 1.00 0.00 C ATOM 0 HA PRO 1 87 -4.312 -0.689 15.405 1.00 0.00 H new ATOM 0 HB2 PRO 1 87 -5.442 1.848 14.999 1.00 0.00 H new ATOM 0 HB3 PRO 1 87 -5.381 0.647 13.724 1.00 0.00 H new ATOM 0 HG2 PRO 1 87 -7.652 1.320 15.583 1.00 0.00 H new ATOM 0 HG3 PRO 1 87 -7.695 1.023 13.857 1.00 0.00 H new ATOM 0 HD2 PRO 1 87 -8.436 -0.912 15.573 1.00 0.00 H new ATOM 0 HD3 PRO 1 87 -7.547 -1.328 14.121 1.00 0.00 H new ATOM 1060 N LYS 1 88 -3.868 1.329 17.013 1.00 0.00 N ATOM 1061 CA LYS 1 88 -3.447 2.060 18.198 1.00 0.00 C ATOM 1062 C LYS 1 88 -4.074 3.449 18.237 1.00 0.00 C ATOM 1063 O LYS 1 88 -4.405 3.961 19.306 1.00 0.00 O ATOM 1064 CB LYS 1 88 -1.929 2.187 18.234 1.00 0.00 C ATOM 1065 CG LYS 1 88 -1.347 2.788 16.970 1.00 0.00 C ATOM 1066 CD LYS 1 88 -0.835 4.203 17.200 1.00 0.00 C ATOM 1067 CE LYS 1 88 0.514 4.423 16.534 1.00 0.00 C ATOM 1068 NZ LYS 1 88 1.290 5.508 17.196 1.00 0.00 N ATOM 0 H LYS 1 88 -3.310 1.518 16.180 1.00 0.00 H new ATOM 0 HA LYS 1 88 -3.784 1.500 19.070 1.00 0.00 H new ATOM 0 HB2 LYS 1 88 -1.643 2.804 19.086 1.00 0.00 H new ATOM 0 HB3 LYS 1 88 -1.493 1.201 18.393 1.00 0.00 H new ATOM 0 HG2 LYS 1 88 -0.531 2.160 16.611 1.00 0.00 H new ATOM 0 HG3 LYS 1 88 -2.108 2.799 16.189 1.00 0.00 H new ATOM 0 HD2 LYS 1 88 -1.556 4.920 16.808 1.00 0.00 H new ATOM 0 HD3 LYS 1 88 -0.748 4.390 18.270 1.00 0.00 H new ATOM 0 HE2 LYS 1 88 1.088 3.497 16.562 1.00 0.00 H new ATOM 0 HE3 LYS 1 88 0.364 4.673 15.484 1.00 0.00 H new ATOM 0 HZ1 LYS 1 88 2.203 5.627 16.712 1.00 0.00 H new ATOM 0 HZ2 LYS 1 88 0.754 6.398 17.147 1.00 0.00 H new ATOM 0 HZ3 LYS 1 88 1.456 5.258 18.192 1.00 0.00 H new ATOM 1082 N LYS 1 89 -4.217 4.063 17.065 1.00 0.00 N ATOM 1083 CA LYS 1 89 -4.786 5.405 16.974 1.00 0.00 C ATOM 1084 C LYS 1 89 -5.884 5.491 15.927 1.00 0.00 C ATOM 1085 O LYS 1 89 -6.061 6.532 15.293 1.00 0.00 O ATOM 1086 CB LYS 1 89 -3.686 6.421 16.666 1.00 0.00 C ATOM 1087 CG LYS 1 89 -4.158 7.866 16.717 1.00 0.00 C ATOM 1088 CD LYS 1 89 -3.840 8.606 15.427 1.00 0.00 C ATOM 1089 CE LYS 1 89 -3.853 10.112 15.631 1.00 0.00 C ATOM 1090 NZ LYS 1 89 -2.782 10.788 14.847 1.00 0.00 N ATOM 0 H LYS 1 89 -3.948 3.655 16.170 1.00 0.00 H new ATOM 0 HA LYS 1 89 -5.237 5.635 17.939 1.00 0.00 H new ATOM 0 HB2 LYS 1 89 -2.871 6.289 17.378 1.00 0.00 H new ATOM 0 HB3 LYS 1 89 -3.280 6.215 15.676 1.00 0.00 H new ATOM 0 HG2 LYS 1 89 -5.233 7.892 16.896 1.00 0.00 H new ATOM 0 HG3 LYS 1 89 -3.683 8.375 17.556 1.00 0.00 H new ATOM 0 HD2 LYS 1 89 -2.862 8.296 15.060 1.00 0.00 H new ATOM 0 HD3 LYS 1 89 -4.568 8.335 14.662 1.00 0.00 H new ATOM 0 HE2 LYS 1 89 -4.824 10.510 15.337 1.00 0.00 H new ATOM 0 HE3 LYS 1 89 -3.724 10.336 16.690 1.00 0.00 H new ATOM 0 HZ1 LYS 1 89 -2.825 11.814 15.013 1.00 0.00 H new ATOM 0 HZ2 LYS 1 89 -1.853 10.427 15.145 1.00 0.00 H new ATOM 0 HZ3 LYS 1 89 -2.919 10.596 13.834 1.00 0.00 H new ATOM 1104 N GLY 1 90 -6.617 4.405 15.738 1.00 0.00 N ATOM 1105 CA GLY 1 90 -7.675 4.418 14.754 1.00 0.00 C ATOM 1106 C GLY 1 90 -8.752 3.382 15.013 1.00 0.00 C ATOM 1107 O GLY 1 90 -8.966 2.970 16.154 1.00 0.00 O ATOM 0 H GLY 1 90 -6.500 3.526 16.242 1.00 0.00 H new ATOM 0 HA2 GLY 1 90 -8.131 5.408 14.735 1.00 0.00 H new ATOM 0 HA3 GLY 1 90 -7.245 4.246 13.767 1.00 0.00 H new ATOM 1111 N ARG 1 91 -9.431 2.962 13.949 1.00 0.00 N ATOM 1112 CA ARG 1 91 -10.494 1.967 14.059 1.00 0.00 C ATOM 1113 C ARG 1 91 -10.031 0.619 13.516 1.00 0.00 C ATOM 1114 O ARG 1 91 -10.212 -0.417 14.154 1.00 0.00 O ATOM 1115 CB ARG 1 91 -11.741 2.429 13.301 1.00 0.00 C ATOM 1116 CG ARG 1 91 -12.032 3.913 13.447 1.00 0.00 C ATOM 1117 CD ARG 1 91 -13.526 4.191 13.453 1.00 0.00 C ATOM 1118 NE ARG 1 91 -14.154 3.785 14.708 1.00 0.00 N ATOM 1119 CZ ARG 1 91 -15.343 4.221 15.117 1.00 0.00 C ATOM 1120 NH1 ARG 1 91 -16.035 5.077 14.374 1.00 0.00 N ATOM 1121 NH2 ARG 1 91 -15.842 3.801 16.271 1.00 0.00 N ATOM 0 H ARG 1 91 -9.264 3.296 13.000 1.00 0.00 H new ATOM 0 HA ARG 1 91 -10.741 1.854 15.115 1.00 0.00 H new ATOM 0 HB2 ARG 1 91 -11.620 2.194 12.243 1.00 0.00 H new ATOM 0 HB3 ARG 1 91 -12.602 1.863 13.657 1.00 0.00 H new ATOM 0 HG2 ARG 1 91 -11.589 4.282 14.372 1.00 0.00 H new ATOM 0 HG3 ARG 1 91 -11.563 4.459 12.628 1.00 0.00 H new ATOM 0 HD2 ARG 1 91 -13.697 5.255 13.290 1.00 0.00 H new ATOM 0 HD3 ARG 1 91 -13.996 3.662 12.624 1.00 0.00 H new ATOM 0 HE ARG 1 91 -13.652 3.129 15.306 1.00 0.00 H new ATOM 0 HH11 ARG 1 91 -15.656 5.403 13.485 1.00 0.00 H new ATOM 0 HH12 ARG 1 91 -16.946 5.408 14.692 1.00 0.00 H new ATOM 0 HH21 ARG 1 91 -15.315 3.144 16.846 1.00 0.00 H new ATOM 0 HH22 ARG 1 91 -16.753 4.135 16.584 1.00 0.00 H new ATOM 1135 N GLN 1 92 -9.430 0.647 12.330 1.00 0.00 N ATOM 1136 CA GLN 1 92 -8.932 -0.565 11.688 1.00 0.00 C ATOM 1137 C GLN 1 92 -7.681 -0.256 10.869 1.00 0.00 C ATOM 1138 O GLN 1 92 -7.684 0.660 10.046 1.00 0.00 O ATOM 1139 CB GLN 1 92 -10.013 -1.163 10.782 1.00 0.00 C ATOM 1140 CG GLN 1 92 -10.639 -2.435 11.331 1.00 0.00 C ATOM 1141 CD GLN 1 92 -10.442 -3.625 10.411 1.00 0.00 C ATOM 1142 OE1 GLN 1 92 -10.131 -3.467 9.230 1.00 0.00 O ATOM 1143 NE2 GLN 1 92 -10.622 -4.827 10.947 1.00 0.00 N ATOM 0 H GLN 1 92 -9.276 1.500 11.792 1.00 0.00 H new ATOM 0 HA GLN 1 92 -8.676 -1.288 12.462 1.00 0.00 H new ATOM 0 HB2 GLN 1 92 -10.796 -0.421 10.628 1.00 0.00 H new ATOM 0 HB3 GLN 1 92 -9.579 -1.375 9.805 1.00 0.00 H new ATOM 0 HG2 GLN 1 92 -10.205 -2.658 12.306 1.00 0.00 H new ATOM 0 HG3 GLN 1 92 -11.706 -2.273 11.487 1.00 0.00 H new ATOM 0 HE21 GLN 1 92 -10.879 -4.914 11.930 1.00 0.00 H new ATOM 0 HE22 GLN 1 92 -10.503 -5.663 10.375 1.00 0.00 H new ATOM 1152 N VAL 1 93 -6.609 -1.011 11.098 1.00 0.00 N ATOM 1153 CA VAL 1 93 -5.364 -0.793 10.379 1.00 0.00 C ATOM 1154 C VAL 1 93 -4.979 -2.000 9.531 1.00 0.00 C ATOM 1155 O VAL 1 93 -5.233 -3.146 9.900 1.00 0.00 O ATOM 1156 CB VAL 1 93 -4.209 -0.487 11.342 1.00 0.00 C ATOM 1157 CG1 VAL 1 93 -4.157 0.997 11.670 1.00 0.00 C ATOM 1158 CG2 VAL 1 93 -4.329 -1.324 12.604 1.00 0.00 C ATOM 0 H VAL 1 93 -6.581 -1.775 11.773 1.00 0.00 H new ATOM 0 HA VAL 1 93 -5.536 0.063 9.727 1.00 0.00 H new ATOM 0 HB VAL 1 93 -3.273 -0.752 10.850 1.00 0.00 H new ATOM 0 HG11 VAL 1 93 -3.331 1.190 12.354 1.00 0.00 H new ATOM 0 HG12 VAL 1 93 -4.010 1.567 10.753 1.00 0.00 H new ATOM 0 HG13 VAL 1 93 -5.094 1.299 12.138 1.00 0.00 H new ATOM 0 HG21 VAL 1 93 -3.501 -1.093 13.274 1.00 0.00 H new ATOM 0 HG22 VAL 1 93 -5.272 -1.099 13.102 1.00 0.00 H new ATOM 0 HG23 VAL 1 93 -4.300 -2.382 12.343 1.00 0.00 H new ATOM 1168 N LEU 1 94 -4.350 -1.721 8.396 1.00 0.00 N ATOM 1169 CA LEU 1 94 -3.901 -2.763 7.480 1.00 0.00 C ATOM 1170 C LEU 1 94 -2.491 -2.455 6.981 1.00 0.00 C ATOM 1171 O LEU 1 94 -2.267 -1.447 6.310 1.00 0.00 O ATOM 1172 CB LEU 1 94 -4.874 -2.892 6.301 1.00 0.00 C ATOM 1173 CG LEU 1 94 -4.471 -3.882 5.199 1.00 0.00 C ATOM 1174 CD1 LEU 1 94 -3.687 -3.176 4.104 1.00 0.00 C ATOM 1175 CD2 LEU 1 94 -3.666 -5.042 5.769 1.00 0.00 C ATOM 0 H LEU 1 94 -4.138 -0.773 8.086 1.00 0.00 H new ATOM 0 HA LEU 1 94 -3.879 -3.713 8.013 1.00 0.00 H new ATOM 0 HB2 LEU 1 94 -5.848 -3.190 6.690 1.00 0.00 H new ATOM 0 HB3 LEU 1 94 -4.999 -1.908 5.849 1.00 0.00 H new ATOM 0 HG LEU 1 94 -5.384 -4.288 4.764 1.00 0.00 H new ATOM 0 HD11 LEU 1 94 -3.411 -3.895 3.333 1.00 0.00 H new ATOM 0 HD12 LEU 1 94 -4.302 -2.391 3.665 1.00 0.00 H new ATOM 0 HD13 LEU 1 94 -2.785 -2.735 4.529 1.00 0.00 H new ATOM 0 HD21 LEU 1 94 -3.395 -5.726 4.965 1.00 0.00 H new ATOM 0 HD22 LEU 1 94 -2.761 -4.660 6.241 1.00 0.00 H new ATOM 0 HD23 LEU 1 94 -4.265 -5.571 6.510 1.00 0.00 H new ATOM 1187 N ILE 1 95 -1.541 -3.321 7.320 1.00 0.00 N ATOM 1188 CA ILE 1 95 -0.152 -3.133 6.914 1.00 0.00 C ATOM 1189 C ILE 1 95 0.062 -3.541 5.461 1.00 0.00 C ATOM 1190 O ILE 1 95 -0.635 -4.413 4.944 1.00 0.00 O ATOM 1191 CB ILE 1 95 0.808 -3.942 7.807 1.00 0.00 C ATOM 1192 CG1 ILE 1 95 0.491 -3.699 9.284 1.00 0.00 C ATOM 1193 CG2 ILE 1 95 2.253 -3.575 7.501 1.00 0.00 C ATOM 1194 CD1 ILE 1 95 1.390 -4.466 10.229 1.00 0.00 C ATOM 0 H ILE 1 95 -1.708 -4.160 7.875 1.00 0.00 H new ATOM 0 HA ILE 1 95 0.065 -2.071 7.024 1.00 0.00 H new ATOM 0 HB ILE 1 95 0.671 -5.002 7.595 1.00 0.00 H new ATOM 0 HG12 ILE 1 95 0.580 -2.633 9.496 1.00 0.00 H new ATOM 0 HG13 ILE 1 95 -0.545 -3.977 9.475 1.00 0.00 H new ATOM 0 HG21 ILE 1 95 2.919 -4.155 8.140 1.00 0.00 H new ATOM 0 HG22 ILE 1 95 2.471 -3.795 6.456 1.00 0.00 H new ATOM 0 HG23 ILE 1 95 2.406 -2.512 7.688 1.00 0.00 H new ATOM 0 HD11 ILE 1 95 1.108 -4.246 11.259 1.00 0.00 H new ATOM 0 HD12 ILE 1 95 1.284 -5.535 10.045 1.00 0.00 H new ATOM 0 HD13 ILE 1 95 2.426 -4.171 10.065 1.00 0.00 H new ATOM 1206 N ALA 1 96 1.029 -2.903 4.805 1.00 0.00 N ATOM 1207 CA ALA 1 96 1.330 -3.202 3.410 1.00 0.00 C ATOM 1208 C ALA 1 96 2.826 -3.100 3.124 1.00 0.00 C ATOM 1209 O ALA 1 96 3.396 -2.008 3.123 1.00 0.00 O ATOM 1210 CB ALA 1 96 0.552 -2.270 2.494 1.00 0.00 C ATOM 0 H ALA 1 96 1.615 -2.177 5.217 1.00 0.00 H new ATOM 0 HA ALA 1 96 1.025 -4.230 3.216 1.00 0.00 H new ATOM 0 HB1 ALA 1 96 0.785 -2.503 1.455 1.00 0.00 H new ATOM 0 HB2 ALA 1 96 -0.517 -2.401 2.664 1.00 0.00 H new ATOM 0 HB3 ALA 1 96 0.829 -1.237 2.705 1.00 0.00 H new ATOM 1216 N LYS 1 97 3.454 -4.245 2.868 1.00 0.00 N ATOM 1217 CA LYS 1 97 4.881 -4.289 2.564 1.00 0.00 C ATOM 1218 C LYS 1 97 5.097 -4.611 1.089 1.00 0.00 C ATOM 1219 O LYS 1 97 4.560 -5.592 0.580 1.00 0.00 O ATOM 1220 CB LYS 1 97 5.581 -5.333 3.437 1.00 0.00 C ATOM 1221 CG LYS 1 97 5.352 -5.133 4.926 1.00 0.00 C ATOM 1222 CD LYS 1 97 4.261 -6.052 5.452 1.00 0.00 C ATOM 1223 CE LYS 1 97 4.845 -7.276 6.137 1.00 0.00 C ATOM 1224 NZ LYS 1 97 5.343 -6.964 7.505 1.00 0.00 N ATOM 0 H LYS 1 97 2.996 -5.156 2.865 1.00 0.00 H new ATOM 0 HA LYS 1 97 5.310 -3.310 2.778 1.00 0.00 H new ATOM 0 HB2 LYS 1 97 5.230 -6.325 3.154 1.00 0.00 H new ATOM 0 HB3 LYS 1 97 6.652 -5.304 3.235 1.00 0.00 H new ATOM 0 HG2 LYS 1 97 6.280 -5.322 5.466 1.00 0.00 H new ATOM 0 HG3 LYS 1 97 5.078 -4.095 5.117 1.00 0.00 H new ATOM 0 HD2 LYS 1 97 3.632 -5.506 6.155 1.00 0.00 H new ATOM 0 HD3 LYS 1 97 3.620 -6.366 4.628 1.00 0.00 H new ATOM 0 HE2 LYS 1 97 4.085 -8.055 6.197 1.00 0.00 H new ATOM 0 HE3 LYS 1 97 5.662 -7.673 5.535 1.00 0.00 H new ATOM 0 HZ1 LYS 1 97 5.733 -7.826 7.937 1.00 0.00 H new ATOM 0 HZ2 LYS 1 97 6.086 -6.239 7.447 1.00 0.00 H new ATOM 0 HZ3 LYS 1 97 4.558 -6.609 8.088 1.00 0.00 H new ATOM 1238 N VAL 1 98 5.871 -3.774 0.403 1.00 0.00 N ATOM 1239 CA VAL 1 98 6.134 -3.970 -1.020 1.00 0.00 C ATOM 1240 C VAL 1 98 7.514 -4.575 -1.267 1.00 0.00 C ATOM 1241 O VAL 1 98 8.462 -4.316 -0.526 1.00 0.00 O ATOM 1242 CB VAL 1 98 6.027 -2.637 -1.789 1.00 0.00 C ATOM 1243 CG1 VAL 1 98 6.981 -1.608 -1.206 1.00 0.00 C ATOM 1244 CG2 VAL 1 98 6.296 -2.842 -3.274 1.00 0.00 C ATOM 0 H VAL 1 98 6.326 -2.956 0.808 1.00 0.00 H new ATOM 0 HA VAL 1 98 5.378 -4.666 -1.383 1.00 0.00 H new ATOM 0 HB VAL 1 98 5.009 -2.262 -1.681 1.00 0.00 H new ATOM 0 HG11 VAL 1 98 6.892 -0.674 -1.761 1.00 0.00 H new ATOM 0 HG12 VAL 1 98 6.732 -1.433 -0.159 1.00 0.00 H new ATOM 0 HG13 VAL 1 98 8.004 -1.977 -1.279 1.00 0.00 H new ATOM 0 HG21 VAL 1 98 6.214 -1.887 -3.794 1.00 0.00 H new ATOM 0 HG22 VAL 1 98 7.300 -3.244 -3.410 1.00 0.00 H new ATOM 0 HG23 VAL 1 98 5.566 -3.541 -3.683 1.00 0.00 H new ATOM 1254 N THR 1 99 7.614 -5.374 -2.327 1.00 0.00 N ATOM 1255 CA THR 1 99 8.872 -6.013 -2.695 1.00 0.00 C ATOM 1256 C THR 1 99 8.866 -6.419 -4.169 1.00 0.00 C ATOM 1257 O THR 1 99 8.502 -7.545 -4.509 1.00 0.00 O ATOM 1258 CB THR 1 99 9.125 -7.238 -1.816 1.00 0.00 C ATOM 1259 OG1 THR 1 99 8.954 -6.917 -0.447 1.00 0.00 O ATOM 1260 CG2 THR 1 99 10.513 -7.818 -1.981 1.00 0.00 C ATOM 0 H THR 1 99 6.835 -5.594 -2.947 1.00 0.00 H new ATOM 0 HA THR 1 99 9.675 -5.293 -2.538 1.00 0.00 H new ATOM 0 HB THR 1 99 8.397 -7.981 -2.142 1.00 0.00 H new ATOM 0 HG1 THR 1 99 9.115 -5.960 -0.313 1.00 0.00 H new ATOM 0 HG21 THR 1 99 10.625 -8.684 -1.329 1.00 0.00 H new ATOM 0 HG22 THR 1 99 10.659 -8.123 -3.017 1.00 0.00 H new ATOM 0 HG23 THR 1 99 11.256 -7.066 -1.716 1.00 0.00 H new ATOM 1268 N PRO 1 100 9.266 -5.502 -5.070 1.00 0.00 N ATOM 1269 CA PRO 1 100 9.304 -5.759 -6.501 1.00 0.00 C ATOM 1270 C PRO 1 100 10.643 -6.334 -6.959 1.00 0.00 C ATOM 1271 O PRO 1 100 10.760 -7.534 -7.207 1.00 0.00 O ATOM 1272 CB PRO 1 100 9.075 -4.376 -7.113 1.00 0.00 C ATOM 1273 CG PRO 1 100 9.365 -3.376 -6.029 1.00 0.00 C ATOM 1274 CD PRO 1 100 9.707 -4.139 -4.771 1.00 0.00 C ATOM 0 HA PRO 1 100 8.565 -6.502 -6.801 1.00 0.00 H new ATOM 0 HB2 PRO 1 100 9.729 -4.218 -7.971 1.00 0.00 H new ATOM 0 HB3 PRO 1 100 8.050 -4.275 -7.470 1.00 0.00 H new ATOM 0 HG2 PRO 1 100 10.192 -2.728 -6.319 1.00 0.00 H new ATOM 0 HG3 PRO 1 100 8.501 -2.733 -5.862 1.00 0.00 H new ATOM 0 HD2 PRO 1 100 10.775 -4.100 -4.556 1.00 0.00 H new ATOM 0 HD3 PRO 1 100 9.191 -3.732 -3.901 1.00 0.00 H new ATOM 1282 N GLY 1 101 11.651 -5.472 -7.070 1.00 0.00 N ATOM 1283 CA GLY 1 101 12.963 -5.918 -7.498 1.00 0.00 C ATOM 1284 C GLY 1 101 13.725 -4.849 -8.259 1.00 0.00 C ATOM 1285 O GLY 1 101 14.847 -4.499 -7.892 1.00 0.00 O ATOM 0 H GLY 1 101 11.581 -4.474 -6.871 1.00 0.00 H new ATOM 0 HA2 GLY 1 101 13.542 -6.220 -6.625 1.00 0.00 H new ATOM 0 HA3 GLY 1 101 12.854 -6.800 -8.129 1.00 0.00 H new ATOM 1289 N VAL 1 102 13.119 -4.332 -9.325 1.00 0.00 N ATOM 1290 CA VAL 1 102 13.756 -3.301 -10.140 1.00 0.00 C ATOM 1291 C VAL 1 102 12.987 -1.985 -10.080 1.00 0.00 C ATOM 1292 O VAL 1 102 11.782 -1.968 -9.829 1.00 0.00 O ATOM 1293 CB VAL 1 102 13.882 -3.746 -11.613 1.00 0.00 C ATOM 1294 CG1 VAL 1 102 12.536 -3.665 -12.325 1.00 0.00 C ATOM 1295 CG2 VAL 1 102 14.924 -2.905 -12.335 1.00 0.00 C ATOM 0 H VAL 1 102 12.191 -4.609 -9.644 1.00 0.00 H new ATOM 0 HA VAL 1 102 14.753 -3.148 -9.726 1.00 0.00 H new ATOM 0 HB VAL 1 102 14.207 -4.786 -11.628 1.00 0.00 H new ATOM 0 HG11 VAL 1 102 12.653 -3.984 -13.361 1.00 0.00 H new ATOM 0 HG12 VAL 1 102 11.819 -4.316 -11.824 1.00 0.00 H new ATOM 0 HG13 VAL 1 102 12.173 -2.638 -12.300 1.00 0.00 H new ATOM 0 HG21 VAL 1 102 15.000 -3.232 -13.372 1.00 0.00 H new ATOM 0 HG22 VAL 1 102 14.629 -1.856 -12.306 1.00 0.00 H new ATOM 0 HG23 VAL 1 102 15.890 -3.024 -11.845 1.00 0.00 H new ATOM 1305 N LEU 1 103 13.691 -0.885 -10.327 1.00 0.00 N ATOM 1306 CA LEU 1 103 13.075 0.436 -10.317 1.00 0.00 C ATOM 1307 C LEU 1 103 13.640 1.305 -11.435 1.00 0.00 C ATOM 1308 O LEU 1 103 14.809 1.179 -11.802 1.00 0.00 O ATOM 1309 CB LEU 1 103 13.286 1.120 -8.966 1.00 0.00 C ATOM 1310 CG LEU 1 103 12.566 2.460 -8.808 1.00 0.00 C ATOM 1311 CD1 LEU 1 103 11.158 2.249 -8.277 1.00 0.00 C ATOM 1312 CD2 LEU 1 103 13.351 3.383 -7.890 1.00 0.00 C ATOM 0 H LEU 1 103 14.689 -0.883 -10.537 1.00 0.00 H new ATOM 0 HA LEU 1 103 12.005 0.308 -10.482 1.00 0.00 H new ATOM 0 HB2 LEU 1 103 12.950 0.447 -8.177 1.00 0.00 H new ATOM 0 HB3 LEU 1 103 14.354 1.277 -8.817 1.00 0.00 H new ATOM 0 HG LEU 1 103 12.496 2.931 -9.789 1.00 0.00 H new ATOM 0 HD11 LEU 1 103 10.661 3.213 -8.171 1.00 0.00 H new ATOM 0 HD12 LEU 1 103 10.596 1.626 -8.973 1.00 0.00 H new ATOM 0 HD13 LEU 1 103 11.205 1.756 -7.306 1.00 0.00 H new ATOM 0 HD21 LEU 1 103 12.823 4.331 -7.790 1.00 0.00 H new ATOM 0 HD22 LEU 1 103 13.454 2.919 -6.909 1.00 0.00 H new ATOM 0 HD23 LEU 1 103 14.340 3.561 -8.312 1.00 0.00 H new