USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 598 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 59 THR OG1 : rot 180:sc= -0.0482 USER MOD Set 1.2: A 62 SER OG : rot 170:sc=-0.00364 USER MOD Single : A 1 GLU N :NH3+ -162:sc= -0.148 (180deg=-0.737) USER MOD Single : A 2 SER OG : rot 180:sc= 0.488 USER MOD Single : A 4 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.638) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 118:sc= 0.374 USER MOD Single : A 14 GLN : amide:sc= -0.275 X(o=-0.27,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.073 X(o=-0.073,f=-0.42) USER MOD Single : A 37 SER OG : rot 69:sc= 1.24 USER MOD Single : A 40 CYS SG : rot -82:sc= -2.87! USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -163:sc= -1.66 (180deg=-2.98!) USER MOD Single : A 45 ASN : amide:sc= -1.97 K(o=-2,f=0) USER MOD Single : A 46 GLN : amide:sc= -1.15! K(o=-1.1!,f=0) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 48 GLN : amide:sc= -0.0694 X(o=-0.069,f=-0.074) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 5.726 -32.189 3.398 1.00 0.00 N ATOM 2 CA GLU A 1 6.146 -33.469 2.760 1.00 0.00 C ATOM 3 C GLU A 1 5.926 -34.619 3.736 1.00 0.00 C ATOM 4 O GLU A 1 5.810 -35.775 3.330 1.00 0.00 O ATOM 5 CB GLU A 1 7.626 -33.384 2.378 1.00 0.00 C ATOM 6 CG GLU A 1 7.815 -32.313 1.301 1.00 0.00 C ATOM 7 CD GLU A 1 9.275 -32.263 0.866 1.00 0.00 C ATOM 8 OE1 GLU A 1 10.088 -32.901 1.516 1.00 0.00 O ATOM 9 OE2 GLU A 1 9.560 -31.591 -0.110 1.00 0.00 O ATOM 0 H1 GLU A 1 5.583 -31.466 2.664 1.00 0.00 H new ATOM 0 H2 GLU A 1 4.837 -32.335 3.918 1.00 0.00 H new ATOM 0 H3 GLU A 1 6.464 -31.871 4.058 1.00 0.00 H new ATOM 0 HA GLU A 1 5.553 -33.644 1.862 1.00 0.00 H new ATOM 0 HB2 GLU A 1 8.226 -33.142 3.256 1.00 0.00 H new ATOM 0 HB3 GLU A 1 7.974 -34.350 2.011 1.00 0.00 H new ATOM 0 HG2 GLU A 1 7.179 -32.532 0.443 1.00 0.00 H new ATOM 0 HG3 GLU A 1 7.508 -31.340 1.686 1.00 0.00 H new ATOM 18 N SER A 2 5.869 -34.292 5.025 1.00 0.00 N ATOM 19 CA SER A 2 5.661 -35.307 6.054 1.00 0.00 C ATOM 20 C SER A 2 4.649 -34.818 7.088 1.00 0.00 C ATOM 21 O SER A 2 4.375 -33.622 7.180 1.00 0.00 O ATOM 22 CB SER A 2 6.987 -35.627 6.744 1.00 0.00 C ATOM 23 OG SER A 2 6.860 -35.388 8.139 1.00 0.00 O ATOM 0 H SER A 2 5.963 -33.340 5.380 1.00 0.00 H new ATOM 0 HA SER A 2 5.273 -36.208 5.580 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.262 -36.667 6.565 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.784 -35.011 6.329 1.00 0.00 H new ATOM 0 HG SER A 2 7.708 -35.594 8.585 1.00 0.00 H new ATOM 29 N PRO A 3 4.093 -35.714 7.863 1.00 0.00 N ATOM 30 CA PRO A 3 3.090 -35.360 8.911 1.00 0.00 C ATOM 31 C PRO A 3 3.718 -34.601 10.077 1.00 0.00 C ATOM 32 O PRO A 3 3.030 -33.891 10.811 1.00 0.00 O ATOM 33 CB PRO A 3 2.547 -36.714 9.373 1.00 0.00 C ATOM 34 CG PRO A 3 3.622 -37.700 9.054 1.00 0.00 C ATOM 35 CD PRO A 3 4.357 -37.163 7.829 1.00 0.00 C ATOM 0 HA PRO A 3 2.316 -34.696 8.524 1.00 0.00 H new ATOM 0 HB2 PRO A 3 2.325 -36.705 10.440 1.00 0.00 H new ATOM 0 HB3 PRO A 3 1.620 -36.963 8.857 1.00 0.00 H new ATOM 0 HG2 PRO A 3 4.305 -37.815 9.896 1.00 0.00 H new ATOM 0 HG3 PRO A 3 3.198 -38.683 8.851 1.00 0.00 H new ATOM 0 HD2 PRO A 3 5.425 -37.376 7.879 1.00 0.00 H new ATOM 0 HD3 PRO A 3 3.985 -37.615 6.910 1.00 0.00 H new ATOM 43 N LYS A 4 5.027 -34.757 10.242 1.00 0.00 N ATOM 44 CA LYS A 4 5.736 -34.085 11.325 1.00 0.00 C ATOM 45 C LYS A 4 5.910 -32.601 11.015 1.00 0.00 C ATOM 46 O LYS A 4 6.120 -31.790 11.916 1.00 0.00 O ATOM 47 CB LYS A 4 7.109 -34.728 11.529 1.00 0.00 C ATOM 48 CG LYS A 4 6.955 -36.246 11.656 1.00 0.00 C ATOM 49 CD LYS A 4 6.093 -36.580 12.877 1.00 0.00 C ATOM 50 CE LYS A 4 6.390 -38.008 13.336 1.00 0.00 C ATOM 51 NZ LYS A 4 6.506 -38.899 12.148 1.00 0.00 N ATOM 0 H LYS A 4 5.615 -35.338 9.645 1.00 0.00 H new ATOM 0 HA LYS A 4 5.147 -34.188 12.236 1.00 0.00 H new ATOM 0 HB2 LYS A 4 7.762 -34.488 10.690 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.581 -34.325 12.425 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.496 -36.651 10.754 1.00 0.00 H new ATOM 0 HG3 LYS A 4 7.935 -36.713 11.753 1.00 0.00 H new ATOM 0 HD2 LYS A 4 6.299 -35.877 13.684 1.00 0.00 H new ATOM 0 HD3 LYS A 4 5.037 -36.479 12.628 1.00 0.00 H new ATOM 0 HE2 LYS A 4 7.315 -38.031 13.912 1.00 0.00 H new ATOM 0 HE3 LYS A 4 5.596 -38.362 13.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 6.318 -39.882 12.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 5.815 -38.608 11.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 7.466 -38.830 11.754 1.00 0.00 H new ATOM 65 N GLU A 5 5.821 -32.254 9.735 1.00 0.00 N ATOM 66 CA GLU A 5 5.972 -30.864 9.321 1.00 0.00 C ATOM 67 C GLU A 5 4.607 -30.217 9.103 1.00 0.00 C ATOM 68 O GLU A 5 3.637 -30.893 8.763 1.00 0.00 O ATOM 69 CB GLU A 5 6.784 -30.790 8.026 1.00 0.00 C ATOM 70 CG GLU A 5 8.170 -31.397 8.255 1.00 0.00 C ATOM 71 CD GLU A 5 8.958 -30.543 9.242 1.00 0.00 C ATOM 72 OE1 GLU A 5 8.574 -29.403 9.449 1.00 0.00 O ATOM 73 OE2 GLU A 5 9.934 -31.041 9.780 1.00 0.00 O ATOM 0 H GLU A 5 5.647 -32.909 8.973 1.00 0.00 H new ATOM 0 HA GLU A 5 6.495 -30.325 10.111 1.00 0.00 H new ATOM 0 HB2 GLU A 5 6.268 -31.326 7.230 1.00 0.00 H new ATOM 0 HB3 GLU A 5 6.879 -29.753 7.703 1.00 0.00 H new ATOM 0 HG2 GLU A 5 8.072 -32.413 8.638 1.00 0.00 H new ATOM 0 HG3 GLU A 5 8.708 -31.463 7.309 1.00 0.00 H new ATOM 80 N HIS A 6 4.547 -28.902 9.303 1.00 0.00 N ATOM 81 CA HIS A 6 3.303 -28.157 9.128 1.00 0.00 C ATOM 82 C HIS A 6 3.391 -27.255 7.902 1.00 0.00 C ATOM 83 O HIS A 6 4.469 -26.773 7.555 1.00 0.00 O ATOM 84 CB HIS A 6 3.027 -27.307 10.369 1.00 0.00 C ATOM 85 CG HIS A 6 2.834 -28.204 11.561 1.00 0.00 C ATOM 86 ND1 HIS A 6 3.876 -28.533 12.414 1.00 0.00 N ATOM 87 CD2 HIS A 6 1.727 -28.847 12.055 1.00 0.00 C ATOM 88 CE1 HIS A 6 3.378 -29.342 13.368 1.00 0.00 C ATOM 89 NE2 HIS A 6 2.072 -29.566 13.196 1.00 0.00 N ATOM 0 H HIS A 6 5.344 -28.332 9.586 1.00 0.00 H new ATOM 0 HA HIS A 6 2.489 -28.868 8.986 1.00 0.00 H new ATOM 0 HB2 HIS A 6 3.857 -26.623 10.546 1.00 0.00 H new ATOM 0 HB3 HIS A 6 2.138 -26.696 10.213 1.00 0.00 H new ATOM 0 HD2 HIS A 6 0.738 -28.802 11.624 1.00 0.00 H new ATOM 0 HE1 HIS A 6 3.963 -29.759 14.174 1.00 0.00 H new ATOM 0 HE2 HIS A 6 1.460 -30.140 13.776 1.00 0.00 H new ATOM 98 N ASP A 7 2.248 -27.034 7.252 1.00 0.00 N ATOM 99 CA ASP A 7 2.198 -26.188 6.062 1.00 0.00 C ATOM 100 C ASP A 7 1.075 -25.158 6.185 1.00 0.00 C ATOM 101 O ASP A 7 0.163 -25.321 6.994 1.00 0.00 O ATOM 102 CB ASP A 7 1.966 -27.054 4.821 1.00 0.00 C ATOM 103 CG ASP A 7 3.227 -27.087 3.964 1.00 0.00 C ATOM 104 OD1 ASP A 7 4.253 -27.509 4.471 1.00 0.00 O ATOM 105 OD2 ASP A 7 3.148 -26.690 2.813 1.00 0.00 O ATOM 0 H ASP A 7 1.349 -27.428 7.529 1.00 0.00 H new ATOM 0 HA ASP A 7 3.148 -25.663 5.968 1.00 0.00 H new ATOM 0 HB2 ASP A 7 1.693 -28.066 5.120 1.00 0.00 H new ATOM 0 HB3 ASP A 7 1.133 -26.657 4.241 1.00 0.00 H new ATOM 110 N PRO A 8 1.123 -24.106 5.403 1.00 0.00 N ATOM 111 CA PRO A 8 0.084 -23.035 5.432 1.00 0.00 C ATOM 112 C PRO A 8 -1.251 -23.510 4.863 1.00 0.00 C ATOM 113 O PRO A 8 -2.253 -22.799 4.929 1.00 0.00 O ATOM 114 CB PRO A 8 0.678 -21.922 4.568 1.00 0.00 C ATOM 115 CG PRO A 8 1.639 -22.603 3.651 1.00 0.00 C ATOM 116 CD PRO A 8 2.169 -23.822 4.405 1.00 0.00 C ATOM 0 HA PRO A 8 -0.140 -22.715 6.450 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -0.099 -21.403 4.007 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.182 -21.175 5.181 1.00 0.00 H new ATOM 0 HG2 PRO A 8 1.146 -22.903 2.726 1.00 0.00 H new ATOM 0 HG3 PRO A 8 2.453 -21.933 3.376 1.00 0.00 H new ATOM 0 HD2 PRO A 8 2.323 -24.669 3.736 1.00 0.00 H new ATOM 0 HD3 PRO A 8 3.127 -23.612 4.880 1.00 0.00 H new ATOM 124 N PHE A 9 -1.255 -24.715 4.301 1.00 0.00 N ATOM 125 CA PHE A 9 -2.472 -25.271 3.720 1.00 0.00 C ATOM 126 C PHE A 9 -3.643 -25.129 4.688 1.00 0.00 C ATOM 127 O PHE A 9 -4.787 -24.949 4.270 1.00 0.00 O ATOM 128 CB PHE A 9 -2.263 -26.748 3.382 1.00 0.00 C ATOM 129 CG PHE A 9 -3.455 -27.260 2.610 1.00 0.00 C ATOM 130 CD1 PHE A 9 -3.521 -27.082 1.224 1.00 0.00 C ATOM 131 CD2 PHE A 9 -4.496 -27.913 3.283 1.00 0.00 C ATOM 132 CE1 PHE A 9 -4.627 -27.557 0.508 1.00 0.00 C ATOM 133 CE2 PHE A 9 -5.601 -28.388 2.567 1.00 0.00 C ATOM 134 CZ PHE A 9 -5.668 -28.211 1.181 1.00 0.00 C ATOM 0 H PHE A 9 -0.437 -25.321 4.236 1.00 0.00 H new ATOM 0 HA PHE A 9 -2.701 -24.719 2.808 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -1.354 -26.873 2.793 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -2.132 -27.327 4.296 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -2.719 -26.578 0.706 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -4.446 -28.050 4.353 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.678 -27.419 -0.562 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -6.403 -28.892 3.086 1.00 0.00 H new ATOM 0 HZ PHE A 9 -6.521 -28.578 0.630 1.00 0.00 H new ATOM 144 N THR A 10 -3.349 -25.212 5.983 1.00 0.00 N ATOM 145 CA THR A 10 -4.389 -25.092 6.999 1.00 0.00 C ATOM 146 C THR A 10 -5.242 -23.854 6.751 1.00 0.00 C ATOM 147 O THR A 10 -6.465 -23.894 6.894 1.00 0.00 O ATOM 148 CB THR A 10 -3.753 -25.005 8.388 1.00 0.00 C ATOM 149 OG1 THR A 10 -2.873 -26.105 8.572 1.00 0.00 O ATOM 150 CG2 THR A 10 -4.846 -25.040 9.458 1.00 0.00 C ATOM 0 H THR A 10 -2.409 -25.360 6.350 1.00 0.00 H new ATOM 0 HA THR A 10 -5.027 -25.974 6.945 1.00 0.00 H new ATOM 0 HB THR A 10 -3.195 -24.072 8.474 1.00 0.00 H new ATOM 0 HG1 THR A 10 -2.463 -26.051 9.460 1.00 0.00 H new ATOM 0 HG21 THR A 10 -4.390 -24.978 10.446 1.00 0.00 H new ATOM 0 HG22 THR A 10 -5.521 -24.196 9.316 1.00 0.00 H new ATOM 0 HG23 THR A 10 -5.407 -25.971 9.375 1.00 0.00 H new ATOM 158 N TYR A 11 -4.586 -22.757 6.376 1.00 0.00 N ATOM 159 CA TYR A 11 -5.286 -21.504 6.104 1.00 0.00 C ATOM 160 C TYR A 11 -4.874 -20.946 4.746 1.00 0.00 C ATOM 161 O TYR A 11 -3.697 -20.978 4.385 1.00 0.00 O ATOM 162 CB TYR A 11 -4.963 -20.480 7.192 1.00 0.00 C ATOM 163 CG TYR A 11 -5.275 -21.070 8.544 1.00 0.00 C ATOM 164 CD1 TYR A 11 -6.601 -21.155 8.983 1.00 0.00 C ATOM 165 CD2 TYR A 11 -4.237 -21.533 9.360 1.00 0.00 C ATOM 166 CE1 TYR A 11 -6.890 -21.703 10.238 1.00 0.00 C ATOM 167 CE2 TYR A 11 -4.525 -22.082 10.615 1.00 0.00 C ATOM 168 CZ TYR A 11 -5.851 -22.166 11.055 1.00 0.00 C ATOM 169 OH TYR A 11 -6.135 -22.705 12.292 1.00 0.00 O ATOM 0 H TYR A 11 -3.574 -22.711 6.254 1.00 0.00 H new ATOM 0 HA TYR A 11 -6.358 -21.703 6.096 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -3.912 -20.197 7.140 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -5.545 -19.572 7.036 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -7.402 -20.797 8.353 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -3.214 -21.467 9.022 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -7.914 -21.769 10.576 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -3.724 -22.441 11.244 1.00 0.00 H new ATOM 0 HH TYR A 11 -5.301 -22.978 12.729 1.00 0.00 H new ATOM 179 N ASP A 12 -5.853 -20.435 4.002 1.00 0.00 N ATOM 180 CA ASP A 12 -5.590 -19.867 2.681 1.00 0.00 C ATOM 181 C ASP A 12 -5.748 -18.350 2.706 1.00 0.00 C ATOM 182 O ASP A 12 -6.839 -17.826 2.474 1.00 0.00 O ATOM 183 CB ASP A 12 -6.557 -20.467 1.659 1.00 0.00 C ATOM 184 CG ASP A 12 -6.245 -21.946 1.452 1.00 0.00 C ATOM 185 OD1 ASP A 12 -5.205 -22.382 1.919 1.00 0.00 O ATOM 186 OD2 ASP A 12 -7.050 -22.621 0.831 1.00 0.00 O ATOM 0 H ASP A 12 -6.831 -20.402 4.289 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.565 -20.106 2.399 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -7.584 -20.348 2.004 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.475 -19.934 0.712 1.00 0.00 H new ATOM 191 N TYR A 13 -4.652 -17.647 2.982 1.00 0.00 N ATOM 192 CA TYR A 13 -4.680 -16.189 3.028 1.00 0.00 C ATOM 193 C TYR A 13 -4.301 -15.608 1.671 1.00 0.00 C ATOM 194 O TYR A 13 -3.713 -14.532 1.590 1.00 0.00 O ATOM 195 CB TYR A 13 -3.699 -15.674 4.084 1.00 0.00 C ATOM 196 CG TYR A 13 -4.069 -16.228 5.442 1.00 0.00 C ATOM 197 CD1 TYR A 13 -5.286 -15.871 6.032 1.00 0.00 C ATOM 198 CD2 TYR A 13 -3.193 -17.093 6.112 1.00 0.00 C ATOM 199 CE1 TYR A 13 -5.631 -16.377 7.291 1.00 0.00 C ATOM 200 CE2 TYR A 13 -3.538 -17.600 7.372 1.00 0.00 C ATOM 201 CZ TYR A 13 -4.757 -17.241 7.961 1.00 0.00 C ATOM 202 OH TYR A 13 -5.097 -17.740 9.201 1.00 0.00 O ATOM 0 H TYR A 13 -3.740 -18.061 3.176 1.00 0.00 H new ATOM 0 HA TYR A 13 -5.692 -15.876 3.286 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.683 -15.971 3.825 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -3.716 -14.584 4.109 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -5.960 -15.204 5.516 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -2.253 -17.369 5.658 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -6.571 -16.101 7.745 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.864 -18.267 7.889 1.00 0.00 H new ATOM 0 HH TYR A 13 -5.168 -18.716 9.153 1.00 0.00 H new ATOM 212 N GLN A 14 -4.629 -16.334 0.610 1.00 0.00 N ATOM 213 CA GLN A 14 -4.302 -15.884 -0.739 1.00 0.00 C ATOM 214 C GLN A 14 -4.793 -14.457 -0.977 1.00 0.00 C ATOM 215 O GLN A 14 -4.039 -13.607 -1.451 1.00 0.00 O ATOM 216 CB GLN A 14 -4.943 -16.822 -1.762 1.00 0.00 C ATOM 217 CG GLN A 14 -4.443 -18.249 -1.527 1.00 0.00 C ATOM 218 CD GLN A 14 -5.034 -19.188 -2.572 1.00 0.00 C ATOM 219 OE1 GLN A 14 -4.625 -19.164 -3.732 1.00 0.00 O ATOM 220 NE2 GLN A 14 -5.980 -20.017 -2.227 1.00 0.00 N ATOM 0 H GLN A 14 -5.117 -17.229 0.655 1.00 0.00 H new ATOM 0 HA GLN A 14 -3.218 -15.898 -0.851 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -6.029 -16.786 -1.674 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -4.694 -16.500 -2.773 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -3.354 -18.275 -1.578 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -4.724 -18.581 -0.528 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -6.317 -20.034 -1.264 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -6.383 -20.648 -2.920 1.00 0.00 H new ATOM 229 N SER A 15 -6.057 -14.200 -0.656 1.00 0.00 N ATOM 230 CA SER A 15 -6.623 -12.869 -0.853 1.00 0.00 C ATOM 231 C SER A 15 -6.313 -11.955 0.329 1.00 0.00 C ATOM 232 O SER A 15 -6.155 -10.744 0.166 1.00 0.00 O ATOM 233 CB SER A 15 -8.138 -12.970 -1.039 1.00 0.00 C ATOM 234 OG SER A 15 -8.737 -13.368 0.187 1.00 0.00 O ATOM 0 H SER A 15 -6.702 -14.885 -0.263 1.00 0.00 H new ATOM 0 HA SER A 15 -6.170 -12.439 -1.746 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.541 -12.009 -1.359 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.372 -13.691 -1.822 1.00 0.00 H new ATOM 0 HG SER A 15 -9.708 -13.432 0.071 1.00 0.00 H new ATOM 240 N LEU A 16 -6.241 -12.536 1.520 1.00 0.00 N ATOM 241 CA LEU A 16 -5.966 -11.760 2.725 1.00 0.00 C ATOM 242 C LEU A 16 -4.478 -11.443 2.853 1.00 0.00 C ATOM 243 O LEU A 16 -4.069 -10.715 3.757 1.00 0.00 O ATOM 244 CB LEU A 16 -6.432 -12.541 3.956 1.00 0.00 C ATOM 245 CG LEU A 16 -6.720 -11.571 5.101 1.00 0.00 C ATOM 246 CD1 LEU A 16 -8.180 -11.120 5.037 1.00 0.00 C ATOM 247 CD2 LEU A 16 -6.465 -12.275 6.435 1.00 0.00 C ATOM 0 H LEU A 16 -6.368 -13.536 1.678 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.510 -10.818 2.654 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -7.328 -13.114 3.718 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.667 -13.257 4.256 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.069 -10.702 5.013 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -8.383 -10.428 5.854 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.366 -10.622 4.085 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -8.833 -11.988 5.125 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -6.669 -11.586 7.255 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -7.119 -13.143 6.519 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.425 -12.598 6.483 1.00 0.00 H new ATOM 259 N GLN A 17 -3.668 -11.995 1.953 1.00 0.00 N ATOM 260 CA GLN A 17 -2.226 -11.759 1.997 1.00 0.00 C ATOM 261 C GLN A 17 -1.884 -10.339 1.548 1.00 0.00 C ATOM 262 O GLN A 17 -1.188 -9.609 2.253 1.00 0.00 O ATOM 263 CB GLN A 17 -1.505 -12.761 1.095 1.00 0.00 C ATOM 264 CG GLN A 17 -0.910 -13.886 1.945 1.00 0.00 C ATOM 265 CD GLN A 17 0.337 -13.391 2.671 1.00 0.00 C ATOM 266 OE1 GLN A 17 1.224 -12.799 2.054 1.00 0.00 O ATOM 267 NE2 GLN A 17 0.460 -13.598 3.955 1.00 0.00 N ATOM 0 H GLN A 17 -3.979 -12.601 1.194 1.00 0.00 H new ATOM 0 HA GLN A 17 -1.898 -11.886 3.029 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -2.201 -13.173 0.364 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -0.716 -12.259 0.535 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -1.647 -14.235 2.668 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -0.658 -14.737 1.312 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -0.275 -14.088 4.465 1.00 0.00 H new ATOM 0 HE22 GLN A 17 1.291 -13.269 4.447 1.00 0.00 H new ATOM 276 N ILE A 18 -2.363 -9.958 0.370 1.00 0.00 N ATOM 277 CA ILE A 18 -2.086 -8.628 -0.166 1.00 0.00 C ATOM 278 C ILE A 18 -3.165 -7.628 0.242 1.00 0.00 C ATOM 279 O ILE A 18 -3.062 -6.436 -0.048 1.00 0.00 O ATOM 280 CB ILE A 18 -2.008 -8.691 -1.692 1.00 0.00 C ATOM 281 CG1 ILE A 18 -1.751 -10.135 -2.130 1.00 0.00 C ATOM 282 CG2 ILE A 18 -0.866 -7.800 -2.182 1.00 0.00 C ATOM 283 CD1 ILE A 18 -1.397 -10.161 -3.618 1.00 0.00 C ATOM 0 H ILE A 18 -2.942 -10.546 -0.230 1.00 0.00 H new ATOM 0 HA ILE A 18 -1.133 -8.293 0.244 1.00 0.00 H new ATOM 0 HB ILE A 18 -2.949 -8.343 -2.118 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -0.938 -10.565 -1.544 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.635 -10.745 -1.945 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.810 -7.845 -3.270 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -1.047 -6.771 -1.870 1.00 0.00 H new ATOM 0 HG23 ILE A 18 0.075 -8.148 -1.756 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.214 -11.189 -3.931 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -2.224 -9.748 -4.196 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.501 -9.565 -3.789 1.00 0.00 H new ATOM 295 N GLY A 19 -4.202 -8.122 0.905 1.00 0.00 N ATOM 296 CA GLY A 19 -5.301 -7.265 1.336 1.00 0.00 C ATOM 297 C GLY A 19 -4.800 -6.037 2.098 1.00 0.00 C ATOM 298 O GLY A 19 -4.289 -5.088 1.503 1.00 0.00 O ATOM 0 H GLY A 19 -4.306 -9.105 1.155 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -5.874 -6.944 0.466 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -5.979 -7.835 1.971 1.00 0.00 H new ATOM 302 N GLY A 20 -4.980 -6.065 3.416 1.00 0.00 N ATOM 303 CA GLY A 20 -4.578 -4.957 4.284 1.00 0.00 C ATOM 304 C GLY A 20 -3.322 -4.243 3.786 1.00 0.00 C ATOM 305 O GLY A 20 -3.169 -3.039 3.983 1.00 0.00 O ATOM 0 H GLY A 20 -5.405 -6.849 3.911 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.396 -4.240 4.353 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -4.401 -5.335 5.291 1.00 0.00 H new ATOM 309 N LEU A 21 -2.420 -4.983 3.153 1.00 0.00 N ATOM 310 CA LEU A 21 -1.184 -4.385 2.654 1.00 0.00 C ATOM 311 C LEU A 21 -1.478 -3.348 1.572 1.00 0.00 C ATOM 312 O LEU A 21 -0.993 -2.217 1.634 1.00 0.00 O ATOM 313 CB LEU A 21 -0.264 -5.469 2.084 1.00 0.00 C ATOM 314 CG LEU A 21 -0.119 -6.619 3.087 1.00 0.00 C ATOM 315 CD1 LEU A 21 0.906 -7.625 2.558 1.00 0.00 C ATOM 316 CD2 LEU A 21 0.361 -6.077 4.436 1.00 0.00 C ATOM 0 H LEU A 21 -2.516 -5.983 2.974 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.689 -3.890 3.489 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.670 -5.845 1.145 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.715 -5.045 1.861 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.086 -7.105 3.216 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.012 -8.445 3.269 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.569 -8.018 1.599 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.869 -7.130 2.429 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.462 -6.900 5.144 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.327 -5.588 4.309 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.363 -5.357 4.817 1.00 0.00 H new ATOM 328 N VAL A 22 -2.267 -3.738 0.577 1.00 0.00 N ATOM 329 CA VAL A 22 -2.603 -2.828 -0.512 1.00 0.00 C ATOM 330 C VAL A 22 -3.486 -1.685 -0.019 1.00 0.00 C ATOM 331 O VAL A 22 -3.205 -0.518 -0.286 1.00 0.00 O ATOM 332 CB VAL A 22 -3.324 -3.589 -1.625 1.00 0.00 C ATOM 333 CG1 VAL A 22 -3.832 -2.598 -2.674 1.00 0.00 C ATOM 334 CG2 VAL A 22 -2.355 -4.572 -2.286 1.00 0.00 C ATOM 0 H VAL A 22 -2.682 -4.667 0.501 1.00 0.00 H new ATOM 0 HA VAL A 22 -1.675 -2.406 -0.899 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.165 -4.137 -1.201 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.346 -3.140 -3.468 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.523 -1.896 -2.207 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.989 -2.051 -3.096 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.871 -5.114 -3.079 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.513 -4.024 -2.709 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -1.990 -5.280 -1.541 1.00 0.00 H new ATOM 344 N ILE A 23 -4.549 -2.025 0.701 1.00 0.00 N ATOM 345 CA ILE A 23 -5.459 -1.009 1.219 1.00 0.00 C ATOM 346 C ILE A 23 -4.706 -0.014 2.097 1.00 0.00 C ATOM 347 O ILE A 23 -4.877 1.200 1.964 1.00 0.00 O ATOM 348 CB ILE A 23 -6.573 -1.674 2.027 1.00 0.00 C ATOM 349 CG1 ILE A 23 -7.098 -2.902 1.270 1.00 0.00 C ATOM 350 CG2 ILE A 23 -7.716 -0.680 2.234 1.00 0.00 C ATOM 351 CD1 ILE A 23 -7.404 -2.528 -0.184 1.00 0.00 C ATOM 0 H ILE A 23 -4.801 -2.985 0.938 1.00 0.00 H new ATOM 0 HA ILE A 23 -5.895 -0.471 0.378 1.00 0.00 H new ATOM 0 HB ILE A 23 -6.179 -1.985 2.994 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -6.359 -3.702 1.301 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -7.998 -3.281 1.754 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -8.511 -1.154 2.810 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.347 0.192 2.774 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -8.107 -0.368 1.265 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -7.776 -3.404 -0.715 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -8.159 -1.743 -0.206 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.495 -2.171 -0.667 1.00 0.00 H new ATOM 363 N ALA A 24 -3.865 -0.531 2.987 1.00 0.00 N ATOM 364 CA ALA A 24 -3.089 0.329 3.872 1.00 0.00 C ATOM 365 C ALA A 24 -2.247 1.297 3.052 1.00 0.00 C ATOM 366 O ALA A 24 -2.067 2.457 3.426 1.00 0.00 O ATOM 367 CB ALA A 24 -2.173 -0.518 4.759 1.00 0.00 C ATOM 0 H ALA A 24 -3.705 -1.530 3.114 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.777 0.893 4.501 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.598 0.134 5.416 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.776 -1.198 5.360 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.492 -1.094 4.133 1.00 0.00 H new ATOM 373 N GLY A 25 -1.731 0.807 1.931 1.00 0.00 N ATOM 374 CA GLY A 25 -0.905 1.629 1.059 1.00 0.00 C ATOM 375 C GLY A 25 -1.682 2.829 0.525 1.00 0.00 C ATOM 376 O GLY A 25 -1.145 3.934 0.440 1.00 0.00 O ATOM 0 H GLY A 25 -1.870 -0.150 1.607 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.028 1.976 1.606 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.543 1.028 0.225 1.00 0.00 H new ATOM 380 N ILE A 26 -2.943 2.612 0.152 1.00 0.00 N ATOM 381 CA ILE A 26 -3.753 3.703 -0.385 1.00 0.00 C ATOM 382 C ILE A 26 -3.989 4.789 0.665 1.00 0.00 C ATOM 383 O ILE A 26 -3.890 5.974 0.360 1.00 0.00 O ATOM 384 CB ILE A 26 -5.113 3.187 -0.878 1.00 0.00 C ATOM 385 CG1 ILE A 26 -4.938 1.925 -1.736 1.00 0.00 C ATOM 386 CG2 ILE A 26 -5.792 4.272 -1.718 1.00 0.00 C ATOM 387 CD1 ILE A 26 -3.798 2.114 -2.740 1.00 0.00 C ATOM 0 H ILE A 26 -3.417 1.711 0.210 1.00 0.00 H new ATOM 0 HA ILE A 26 -3.199 4.128 -1.222 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.726 2.941 -0.011 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.728 1.069 -1.095 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -5.865 1.707 -2.266 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -6.758 3.909 -2.070 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.939 5.164 -1.109 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -5.163 4.516 -2.574 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.688 1.210 -3.340 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -4.024 2.957 -3.393 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.869 2.309 -2.204 1.00 0.00 H new ATOM 399 N LEU A 27 -4.319 4.386 1.889 1.00 0.00 N ATOM 400 CA LEU A 27 -4.592 5.352 2.956 1.00 0.00 C ATOM 401 C LEU A 27 -3.393 6.276 3.199 1.00 0.00 C ATOM 402 O LEU A 27 -3.546 7.495 3.279 1.00 0.00 O ATOM 403 CB LEU A 27 -4.939 4.597 4.247 1.00 0.00 C ATOM 404 CG LEU A 27 -5.454 5.569 5.320 1.00 0.00 C ATOM 405 CD1 LEU A 27 -6.782 6.202 4.884 1.00 0.00 C ATOM 406 CD2 LEU A 27 -5.674 4.804 6.629 1.00 0.00 C ATOM 0 H LEU A 27 -4.404 3.409 2.168 1.00 0.00 H new ATOM 0 HA LEU A 27 -5.433 5.973 2.649 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.696 3.841 4.040 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.058 4.073 4.616 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.715 6.358 5.460 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.130 6.887 5.657 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.636 6.750 3.953 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.525 5.419 4.731 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.039 5.489 7.394 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.407 4.014 6.470 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.732 4.364 6.956 1.00 0.00 H new ATOM 418 N PHE A 28 -2.209 5.687 3.312 1.00 0.00 N ATOM 419 CA PHE A 28 -0.987 6.450 3.540 1.00 0.00 C ATOM 420 C PHE A 28 -0.605 7.244 2.295 1.00 0.00 C ATOM 421 O PHE A 28 -0.199 8.396 2.393 1.00 0.00 O ATOM 422 CB PHE A 28 0.158 5.504 3.911 1.00 0.00 C ATOM 423 CG PHE A 28 0.151 5.260 5.399 1.00 0.00 C ATOM 424 CD1 PHE A 28 0.736 6.192 6.262 1.00 0.00 C ATOM 425 CD2 PHE A 28 -0.436 4.098 5.914 1.00 0.00 C ATOM 426 CE1 PHE A 28 0.733 5.963 7.643 1.00 0.00 C ATOM 427 CE2 PHE A 28 -0.438 3.869 7.294 1.00 0.00 C ATOM 428 CZ PHE A 28 0.147 4.802 8.159 1.00 0.00 C ATOM 0 H PHE A 28 -2.068 4.679 3.249 1.00 0.00 H new ATOM 0 HA PHE A 28 -1.167 7.146 4.359 1.00 0.00 H new ATOM 0 HB2 PHE A 28 0.051 4.560 3.377 1.00 0.00 H new ATOM 0 HB3 PHE A 28 1.112 5.935 3.608 1.00 0.00 H new ATOM 0 HD1 PHE A 28 1.190 7.087 5.863 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -0.887 3.379 5.246 1.00 0.00 H new ATOM 0 HE1 PHE A 28 1.183 6.683 8.310 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.891 2.973 7.692 1.00 0.00 H new ATOM 0 HZ PHE A 28 0.146 4.625 9.224 1.00 0.00 H new ATOM 438 N ILE A 29 -0.749 6.623 1.128 1.00 0.00 N ATOM 439 CA ILE A 29 -0.426 7.292 -0.131 1.00 0.00 C ATOM 440 C ILE A 29 -1.279 8.539 -0.246 1.00 0.00 C ATOM 441 O ILE A 29 -0.781 9.625 -0.530 1.00 0.00 O ATOM 442 CB ILE A 29 -0.685 6.363 -1.316 1.00 0.00 C ATOM 443 CG1 ILE A 29 0.503 5.414 -1.485 1.00 0.00 C ATOM 444 CG2 ILE A 29 -0.863 7.189 -2.592 1.00 0.00 C ATOM 445 CD1 ILE A 29 0.124 4.281 -2.440 1.00 0.00 C ATOM 0 H ILE A 29 -1.084 5.665 1.026 1.00 0.00 H new ATOM 0 HA ILE A 29 0.630 7.561 -0.142 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.592 5.787 -1.132 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.363 5.958 -1.874 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.795 5.005 -0.518 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.047 6.522 -3.434 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.709 7.865 -2.472 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.041 7.769 -2.779 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.972 3.606 -2.559 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.724 3.730 -2.033 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.147 4.698 -3.410 1.00 0.00 H new ATOM 457 N LEU A 30 -2.556 8.384 0.071 1.00 0.00 N ATOM 458 CA LEU A 30 -3.453 9.502 0.099 1.00 0.00 C ATOM 459 C LEU A 30 -2.921 10.383 1.188 1.00 0.00 C ATOM 460 O LEU A 30 -3.009 11.600 1.138 1.00 0.00 O ATOM 461 CB LEU A 30 -4.887 9.069 0.427 1.00 0.00 C ATOM 462 CG LEU A 30 -5.765 9.172 -0.821 1.00 0.00 C ATOM 463 CD1 LEU A 30 -5.244 8.218 -1.897 1.00 0.00 C ATOM 464 CD2 LEU A 30 -7.205 8.795 -0.460 1.00 0.00 C ATOM 0 H LEU A 30 -2.983 7.489 0.311 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.501 10.000 -0.869 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.890 8.045 0.800 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.293 9.698 1.220 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.737 10.193 -1.200 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -5.872 8.294 -2.785 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.219 8.484 -2.154 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.270 7.196 -1.520 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.833 8.867 -1.348 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -7.229 7.774 -0.080 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.578 9.475 0.305 1.00 0.00 H new ATOM 476 N GLY A 31 -2.370 9.713 2.195 1.00 0.00 N ATOM 477 CA GLY A 31 -1.812 10.409 3.349 1.00 0.00 C ATOM 478 C GLY A 31 -0.741 11.427 2.941 1.00 0.00 C ATOM 479 O GLY A 31 -0.794 12.587 3.351 1.00 0.00 O ATOM 0 H GLY A 31 -2.298 8.696 2.236 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.611 10.919 3.886 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -1.379 9.682 4.036 1.00 0.00 H new ATOM 483 N ILE A 32 0.236 10.988 2.150 1.00 0.00 N ATOM 484 CA ILE A 32 1.315 11.878 1.719 1.00 0.00 C ATOM 485 C ILE A 32 0.812 12.918 0.723 1.00 0.00 C ATOM 486 O ILE A 32 1.136 14.098 0.833 1.00 0.00 O ATOM 487 CB ILE A 32 2.445 11.059 1.074 1.00 0.00 C ATOM 488 CG1 ILE A 32 2.786 9.847 1.950 1.00 0.00 C ATOM 489 CG2 ILE A 32 3.691 11.931 0.914 1.00 0.00 C ATOM 490 CD1 ILE A 32 2.991 10.285 3.402 1.00 0.00 C ATOM 0 H ILE A 32 0.304 10.033 1.797 1.00 0.00 H new ATOM 0 HA ILE A 32 1.691 12.398 2.600 1.00 0.00 H new ATOM 0 HB ILE A 32 2.111 10.714 0.095 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.983 9.112 1.894 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.689 9.363 1.578 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.489 11.346 0.457 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.458 12.786 0.279 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.016 12.284 1.893 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.232 9.416 4.014 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.809 11.003 3.453 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.077 10.748 3.775 1.00 0.00 H new ATOM 502 N LEU A 33 0.015 12.479 -0.245 1.00 0.00 N ATOM 503 CA LEU A 33 -0.520 13.397 -1.245 1.00 0.00 C ATOM 504 C LEU A 33 -1.375 14.460 -0.572 1.00 0.00 C ATOM 505 O LEU A 33 -1.261 15.649 -0.866 1.00 0.00 O ATOM 506 CB LEU A 33 -1.372 12.628 -2.258 1.00 0.00 C ATOM 507 CG LEU A 33 -0.506 11.616 -3.018 1.00 0.00 C ATOM 508 CD1 LEU A 33 -1.395 10.782 -3.941 1.00 0.00 C ATOM 509 CD2 LEU A 33 0.555 12.342 -3.855 1.00 0.00 C ATOM 0 H LEU A 33 -0.272 11.507 -0.359 1.00 0.00 H new ATOM 0 HA LEU A 33 0.312 13.876 -1.761 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.182 12.111 -1.744 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.832 13.324 -2.960 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.005 10.969 -2.298 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.782 10.062 -4.483 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.139 10.251 -3.347 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.898 11.438 -4.652 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.161 11.610 -4.388 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.065 12.999 -4.573 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.194 12.933 -3.199 1.00 0.00 H new ATOM 521 N ILE A 34 -2.237 14.012 0.328 1.00 0.00 N ATOM 522 CA ILE A 34 -3.130 14.923 1.045 1.00 0.00 C ATOM 523 C ILE A 34 -2.351 15.963 1.856 1.00 0.00 C ATOM 524 O ILE A 34 -2.703 17.141 1.864 1.00 0.00 O ATOM 525 CB ILE A 34 -4.037 14.147 2.001 1.00 0.00 C ATOM 526 CG1 ILE A 34 -5.138 13.430 1.211 1.00 0.00 C ATOM 527 CG2 ILE A 34 -4.679 15.122 2.989 1.00 0.00 C ATOM 528 CD1 ILE A 34 -5.762 12.327 2.075 1.00 0.00 C ATOM 0 H ILE A 34 -2.341 13.029 0.582 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.727 15.435 0.290 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.443 13.409 2.540 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -5.904 14.144 0.907 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.723 13.000 0.299 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.327 14.573 3.673 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.900 15.631 3.557 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.269 15.858 2.443 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.544 11.820 1.509 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.994 11.607 2.357 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.193 12.769 2.974 1.00 0.00 H new ATOM 540 N VAL A 35 -1.315 15.519 2.565 1.00 0.00 N ATOM 541 CA VAL A 35 -0.532 16.432 3.402 1.00 0.00 C ATOM 542 C VAL A 35 0.096 17.565 2.588 1.00 0.00 C ATOM 543 O VAL A 35 -0.077 18.739 2.919 1.00 0.00 O ATOM 544 CB VAL A 35 0.573 15.658 4.123 1.00 0.00 C ATOM 545 CG1 VAL A 35 1.597 16.642 4.692 1.00 0.00 C ATOM 546 CG2 VAL A 35 -0.040 14.845 5.267 1.00 0.00 C ATOM 0 H VAL A 35 -1.000 14.549 2.579 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.216 16.876 4.125 1.00 0.00 H new ATOM 0 HB VAL A 35 1.065 14.986 3.420 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.385 16.091 5.206 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.032 17.224 3.880 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.105 17.313 5.396 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.746 14.292 5.782 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.531 15.518 5.970 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.772 14.145 4.864 1.00 0.00 H new ATOM 556 N LEU A 36 0.821 17.220 1.529 1.00 0.00 N ATOM 557 CA LEU A 36 1.460 18.239 0.696 1.00 0.00 C ATOM 558 C LEU A 36 0.405 19.070 -0.024 1.00 0.00 C ATOM 559 O LEU A 36 0.606 20.255 -0.291 1.00 0.00 O ATOM 560 CB LEU A 36 2.390 17.591 -0.347 1.00 0.00 C ATOM 561 CG LEU A 36 3.697 17.079 0.292 1.00 0.00 C ATOM 562 CD1 LEU A 36 3.478 15.686 0.881 1.00 0.00 C ATOM 563 CD2 LEU A 36 4.777 16.995 -0.788 1.00 0.00 C ATOM 0 H LEU A 36 0.981 16.259 1.228 1.00 0.00 H new ATOM 0 HA LEU A 36 2.051 18.882 1.348 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.873 16.762 -0.830 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.626 18.317 -1.125 1.00 0.00 H new ATOM 0 HG LEU A 36 4.004 17.763 1.084 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.405 15.331 1.330 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.700 15.731 1.643 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.172 15.001 0.090 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.706 16.634 -0.346 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.456 16.308 -1.571 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.940 17.984 -1.217 1.00 0.00 H new ATOM 575 N SER A 37 -0.715 18.435 -0.343 1.00 0.00 N ATOM 576 CA SER A 37 -1.798 19.113 -1.044 1.00 0.00 C ATOM 577 C SER A 37 -2.335 20.286 -0.233 1.00 0.00 C ATOM 578 O SER A 37 -2.721 21.313 -0.794 1.00 0.00 O ATOM 579 CB SER A 37 -2.930 18.128 -1.307 1.00 0.00 C ATOM 580 OG SER A 37 -2.565 17.257 -2.369 1.00 0.00 O ATOM 0 H SER A 37 -0.897 17.455 -0.129 1.00 0.00 H new ATOM 0 HA SER A 37 -1.403 19.496 -1.985 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.141 17.552 -0.406 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.843 18.667 -1.562 1.00 0.00 H new ATOM 0 HG SER A 37 -1.842 16.665 -2.073 1.00 0.00 H new ATOM 586 N ARG A 38 -2.370 20.131 1.085 1.00 0.00 N ATOM 587 CA ARG A 38 -2.877 21.190 1.949 1.00 0.00 C ATOM 588 C ARG A 38 -2.097 22.479 1.728 1.00 0.00 C ATOM 589 O ARG A 38 -2.663 23.572 1.755 1.00 0.00 O ATOM 590 CB ARG A 38 -2.760 20.770 3.414 1.00 0.00 C ATOM 591 CG ARG A 38 -3.838 19.734 3.737 1.00 0.00 C ATOM 592 CD ARG A 38 -3.702 19.296 5.195 1.00 0.00 C ATOM 593 NE ARG A 38 -4.887 19.687 5.949 1.00 0.00 N ATOM 594 CZ ARG A 38 -5.190 19.100 7.101 1.00 0.00 C ATOM 595 NH1 ARG A 38 -4.422 18.158 7.575 1.00 0.00 N ATOM 596 NH2 ARG A 38 -6.258 19.466 7.758 1.00 0.00 N ATOM 0 H ARG A 38 -2.057 19.293 1.575 1.00 0.00 H new ATOM 0 HA ARG A 38 -3.924 21.363 1.702 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -1.771 20.353 3.606 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -2.871 21.639 4.062 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -4.828 20.157 3.564 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -3.739 18.873 3.076 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -3.569 18.215 5.247 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -2.814 19.748 5.637 1.00 0.00 H new ATOM 0 HE ARG A 38 -5.493 20.423 5.586 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -3.589 17.872 7.061 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -4.655 17.707 8.460 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -6.858 20.202 7.386 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -6.492 19.016 8.643 1.00 0.00 H new ATOM 610 N ARG A 39 -0.796 22.346 1.501 1.00 0.00 N ATOM 611 CA ARG A 39 0.046 23.510 1.268 1.00 0.00 C ATOM 612 C ARG A 39 -0.429 24.272 0.035 1.00 0.00 C ATOM 613 O ARG A 39 -0.260 25.487 -0.059 1.00 0.00 O ATOM 614 CB ARG A 39 1.499 23.074 1.077 1.00 0.00 C ATOM 615 CG ARG A 39 2.397 24.308 0.957 1.00 0.00 C ATOM 616 CD ARG A 39 3.853 23.867 0.814 1.00 0.00 C ATOM 617 NE ARG A 39 4.733 25.030 0.778 1.00 0.00 N ATOM 618 CZ ARG A 39 4.939 25.770 1.862 1.00 0.00 C ATOM 619 NH1 ARG A 39 4.346 25.465 2.984 1.00 0.00 N ATOM 620 NH2 ARG A 39 5.735 26.802 1.805 1.00 0.00 N ATOM 0 H ARG A 39 -0.306 21.452 1.474 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.022 24.167 2.135 1.00 0.00 H new ATOM 0 HB2 ARG A 39 1.818 22.461 1.920 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.589 22.458 0.182 1.00 0.00 H new ATOM 0 HG2 ARG A 39 2.100 24.904 0.094 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.282 24.941 1.837 1.00 0.00 H new ATOM 0 HD2 ARG A 39 4.128 23.220 1.647 1.00 0.00 H new ATOM 0 HD3 ARG A 39 3.975 23.282 -0.097 1.00 0.00 H new ATOM 0 HE ARG A 39 5.198 25.279 -0.095 1.00 0.00 H new ATOM 0 HH11 ARG A 39 3.724 24.658 3.029 1.00 0.00 H new ATOM 0 HH12 ARG A 39 4.505 26.034 3.816 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.199 27.040 0.928 1.00 0.00 H new ATOM 0 HH22 ARG A 39 5.893 27.370 2.637 1.00 0.00 H new ATOM 634 N CYS A 40 -1.020 23.547 -0.910 1.00 0.00 N ATOM 635 CA CYS A 40 -1.512 24.165 -2.136 1.00 0.00 C ATOM 636 C CYS A 40 -2.564 25.228 -1.828 1.00 0.00 C ATOM 637 O CYS A 40 -2.577 26.293 -2.442 1.00 0.00 O ATOM 638 CB CYS A 40 -2.111 23.097 -3.054 1.00 0.00 C ATOM 639 SG CYS A 40 -3.868 22.887 -2.675 1.00 0.00 S ATOM 0 H CYS A 40 -1.169 22.540 -0.851 1.00 0.00 H new ATOM 0 HA CYS A 40 -0.672 24.646 -2.636 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -1.986 23.388 -4.097 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -1.584 22.152 -2.921 1.00 0.00 H new ATOM 0 HG CYS A 40 -4.000 22.097 -1.651 1.00 0.00 H new ATOM 645 N ARG A 41 -3.443 24.933 -0.875 1.00 0.00 N ATOM 646 CA ARG A 41 -4.491 25.879 -0.504 1.00 0.00 C ATOM 647 C ARG A 41 -3.880 27.174 0.019 1.00 0.00 C ATOM 648 O ARG A 41 -4.310 28.268 -0.348 1.00 0.00 O ATOM 649 CB ARG A 41 -5.396 25.270 0.570 1.00 0.00 C ATOM 650 CG ARG A 41 -6.526 26.247 0.899 1.00 0.00 C ATOM 651 CD ARG A 41 -7.520 25.578 1.849 1.00 0.00 C ATOM 652 NE ARG A 41 -8.510 26.547 2.306 1.00 0.00 N ATOM 653 CZ ARG A 41 -9.526 26.910 1.531 1.00 0.00 C ATOM 654 NH1 ARG A 41 -9.655 26.398 0.338 1.00 0.00 N ATOM 655 NH2 ARG A 41 -10.396 27.782 1.963 1.00 0.00 N ATOM 0 H ARG A 41 -3.452 24.058 -0.351 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.084 26.100 -1.392 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.809 24.324 0.219 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.817 25.051 1.467 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.119 27.148 1.357 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -7.032 26.555 -0.016 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -8.017 24.750 1.343 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.991 25.157 2.704 1.00 0.00 H new ATOM 0 HE ARG A 41 -8.421 26.953 3.237 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -8.975 25.718 -0.001 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -10.436 26.678 -0.255 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -10.295 28.184 2.895 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -11.176 28.061 1.369 1.00 0.00 H new ATOM 669 N CYS A 42 -2.877 27.043 0.879 1.00 0.00 N ATOM 670 CA CYS A 42 -2.215 28.210 1.448 1.00 0.00 C ATOM 671 C CYS A 42 -1.340 28.895 0.400 1.00 0.00 C ATOM 672 O CYS A 42 -1.371 30.117 0.252 1.00 0.00 O ATOM 673 CB CYS A 42 -1.359 27.788 2.646 1.00 0.00 C ATOM 674 SG CYS A 42 -2.366 27.830 4.152 1.00 0.00 S ATOM 0 H CYS A 42 -2.506 26.147 1.196 1.00 0.00 H new ATOM 0 HA CYS A 42 -2.977 28.916 1.779 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.963 26.785 2.488 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.504 28.456 2.749 1.00 0.00 H new ATOM 0 HG CYS A 42 -1.641 27.470 5.169 1.00 0.00 H new ATOM 680 N LYS A 43 -0.561 28.097 -0.325 1.00 0.00 N ATOM 681 CA LYS A 43 0.324 28.628 -1.357 1.00 0.00 C ATOM 682 C LYS A 43 -0.475 29.214 -2.521 1.00 0.00 C ATOM 683 O LYS A 43 -0.001 30.110 -3.219 1.00 0.00 O ATOM 684 CB LYS A 43 1.238 27.514 -1.876 1.00 0.00 C ATOM 685 CG LYS A 43 2.297 28.100 -2.812 1.00 0.00 C ATOM 686 CD LYS A 43 3.166 26.972 -3.369 1.00 0.00 C ATOM 687 CE LYS A 43 4.369 27.570 -4.101 1.00 0.00 C ATOM 688 NZ LYS A 43 4.134 29.023 -4.338 1.00 0.00 N ATOM 0 H LYS A 43 -0.525 27.083 -0.217 1.00 0.00 H new ATOM 0 HA LYS A 43 0.923 29.424 -0.915 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.720 27.008 -1.039 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.648 26.765 -2.404 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.817 28.641 -3.628 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.916 28.818 -2.274 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.504 26.325 -2.559 1.00 0.00 H new ATOM 0 HD3 LYS A 43 2.583 26.352 -4.050 1.00 0.00 H new ATOM 0 HE2 LYS A 43 5.274 27.429 -3.511 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.523 27.056 -5.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 4.790 29.366 -5.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 3.155 29.169 -4.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 4.293 29.549 -3.455 1.00 0.00 H new ATOM 702 N PHE A 44 -1.681 28.696 -2.736 1.00 0.00 N ATOM 703 CA PHE A 44 -2.522 29.174 -3.832 1.00 0.00 C ATOM 704 C PHE A 44 -2.959 30.619 -3.609 1.00 0.00 C ATOM 705 O PHE A 44 -2.905 31.437 -4.526 1.00 0.00 O ATOM 706 CB PHE A 44 -3.757 28.286 -3.975 1.00 0.00 C ATOM 707 CG PHE A 44 -4.814 29.025 -4.762 1.00 0.00 C ATOM 708 CD1 PHE A 44 -4.681 29.171 -6.147 1.00 0.00 C ATOM 709 CD2 PHE A 44 -5.924 29.568 -4.103 1.00 0.00 C ATOM 710 CE1 PHE A 44 -5.657 29.862 -6.875 1.00 0.00 C ATOM 711 CE2 PHE A 44 -6.900 30.257 -4.832 1.00 0.00 C ATOM 712 CZ PHE A 44 -6.767 30.404 -6.218 1.00 0.00 C ATOM 0 H PHE A 44 -2.096 27.953 -2.173 1.00 0.00 H new ATOM 0 HA PHE A 44 -1.930 29.130 -4.746 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -3.494 27.357 -4.480 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -4.141 28.017 -2.991 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.825 28.751 -6.655 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -6.027 29.455 -3.034 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -5.553 29.977 -7.944 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -7.757 30.676 -4.325 1.00 0.00 H new ATOM 0 HZ PHE A 44 -7.521 30.936 -6.780 1.00 0.00 H new ATOM 722 N ASN A 45 -3.399 30.930 -2.394 1.00 0.00 N ATOM 723 CA ASN A 45 -3.845 32.285 -2.087 1.00 0.00 C ATOM 724 C ASN A 45 -2.650 33.198 -1.840 1.00 0.00 C ATOM 725 O ASN A 45 -1.949 33.064 -0.837 1.00 0.00 O ATOM 726 CB ASN A 45 -4.750 32.273 -0.854 1.00 0.00 C ATOM 727 CG ASN A 45 -5.811 33.362 -0.977 1.00 0.00 C ATOM 728 OD1 ASN A 45 -6.963 33.153 -0.594 1.00 0.00 O ATOM 729 ND2 ASN A 45 -5.492 34.517 -1.493 1.00 0.00 N ATOM 0 H ASN A 45 -3.456 30.273 -1.616 1.00 0.00 H new ATOM 0 HA ASN A 45 -4.406 32.665 -2.941 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -5.227 31.298 -0.752 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -4.156 32.432 0.046 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -6.197 35.249 -1.580 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -4.538 34.688 -1.810 1.00 0.00 H new ATOM 736 N GLN A 46 -2.425 34.125 -2.763 1.00 0.00 N ATOM 737 CA GLN A 46 -1.311 35.056 -2.638 1.00 0.00 C ATOM 738 C GLN A 46 -1.437 35.867 -1.354 1.00 0.00 C ATOM 739 O GLN A 46 -0.437 36.210 -0.724 1.00 0.00 O ATOM 740 CB GLN A 46 -1.286 36.002 -3.839 1.00 0.00 C ATOM 741 CG GLN A 46 -0.925 35.218 -5.102 1.00 0.00 C ATOM 742 CD GLN A 46 -0.770 36.176 -6.279 1.00 0.00 C ATOM 743 OE1 GLN A 46 -0.458 35.750 -7.390 1.00 0.00 O ATOM 744 NE2 GLN A 46 -0.970 37.452 -6.097 1.00 0.00 N ATOM 0 H GLN A 46 -2.994 34.252 -3.600 1.00 0.00 H new ATOM 0 HA GLN A 46 -0.383 34.484 -2.606 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -2.259 36.478 -3.960 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -0.560 36.798 -3.673 1.00 0.00 H new ATOM 0 HG2 GLN A 46 0.002 34.666 -4.946 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -1.700 34.483 -5.319 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -1.229 37.801 -5.174 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -0.868 38.101 -6.878 1.00 0.00 H new ATOM 753 N GLN A 47 -2.673 36.173 -0.974 1.00 0.00 N ATOM 754 CA GLN A 47 -2.922 36.948 0.235 1.00 0.00 C ATOM 755 C GLN A 47 -2.334 36.248 1.456 1.00 0.00 C ATOM 756 O GLN A 47 -1.733 36.888 2.320 1.00 0.00 O ATOM 757 CB GLN A 47 -4.429 37.131 0.431 1.00 0.00 C ATOM 758 CG GLN A 47 -5.012 37.872 -0.774 1.00 0.00 C ATOM 759 CD GLN A 47 -6.532 37.921 -0.665 1.00 0.00 C ATOM 760 OE1 GLN A 47 -7.110 37.322 0.241 1.00 0.00 O ATOM 761 NE2 GLN A 47 -7.218 38.603 -1.541 1.00 0.00 N ATOM 0 H GLN A 47 -3.513 35.898 -1.483 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.444 37.921 0.124 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -4.913 36.161 0.544 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -4.622 37.692 1.345 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -4.609 38.884 -0.820 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -4.720 37.370 -1.697 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -6.737 39.099 -2.291 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -8.235 38.640 -1.475 1.00 0.00 H new ATOM 770 N GLN A 48 -2.511 34.932 1.524 1.00 0.00 N ATOM 771 CA GLN A 48 -1.995 34.157 2.646 1.00 0.00 C ATOM 772 C GLN A 48 -0.470 34.132 2.625 1.00 0.00 C ATOM 773 O GLN A 48 0.179 34.361 3.647 1.00 0.00 O ATOM 774 CB GLN A 48 -2.530 32.726 2.581 1.00 0.00 C ATOM 775 CG GLN A 48 -2.280 32.024 3.918 1.00 0.00 C ATOM 776 CD GLN A 48 -3.316 32.473 4.942 1.00 0.00 C ATOM 777 OE1 GLN A 48 -4.492 32.129 4.829 1.00 0.00 O ATOM 778 NE2 GLN A 48 -2.947 33.226 5.942 1.00 0.00 N ATOM 0 H GLN A 48 -3.005 34.383 0.820 1.00 0.00 H new ATOM 0 HA GLN A 48 -2.327 34.628 3.571 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.597 32.736 2.357 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -2.040 32.180 1.775 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -2.331 30.943 3.786 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -1.277 32.254 4.278 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -1.972 33.510 6.034 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -3.634 33.530 6.632 1.00 0.00 H new ATOM 787 N ARG A 49 0.097 33.854 1.457 1.00 0.00 N ATOM 788 CA ARG A 49 1.547 33.802 1.314 1.00 0.00 C ATOM 789 C ARG A 49 1.963 34.277 -0.074 1.00 0.00 C ATOM 790 O ARG A 49 1.308 33.968 -1.067 1.00 0.00 O ATOM 791 CB ARG A 49 2.046 32.371 1.534 1.00 0.00 C ATOM 792 CG ARG A 49 2.030 32.046 3.031 1.00 0.00 C ATOM 793 CD ARG A 49 2.529 30.616 3.253 1.00 0.00 C ATOM 794 NE ARG A 49 3.132 30.491 4.577 1.00 0.00 N ATOM 795 CZ ARG A 49 3.226 29.311 5.181 1.00 0.00 C ATOM 796 NH1 ARG A 49 2.768 28.239 4.593 1.00 0.00 N ATOM 797 NH2 ARG A 49 3.775 29.224 6.361 1.00 0.00 N ATOM 0 H ARG A 49 -0.421 33.662 0.600 1.00 0.00 H new ATOM 0 HA ARG A 49 1.990 34.459 2.062 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.414 31.667 0.992 1.00 0.00 H new ATOM 0 HB3 ARG A 49 3.056 32.262 1.139 1.00 0.00 H new ATOM 0 HG2 ARG A 49 2.661 32.750 3.573 1.00 0.00 H new ATOM 0 HG3 ARG A 49 1.020 32.155 3.426 1.00 0.00 H new ATOM 0 HD2 ARG A 49 1.700 29.915 3.155 1.00 0.00 H new ATOM 0 HD3 ARG A 49 3.259 30.355 2.487 1.00 0.00 H new ATOM 0 HE ARG A 49 3.487 31.324 5.046 1.00 0.00 H new ATOM 0 HH11 ARG A 49 2.338 28.307 3.670 1.00 0.00 H new ATOM 0 HH12 ARG A 49 2.840 27.333 5.056 1.00 0.00 H new ATOM 0 HH21 ARG A 49 4.132 30.062 6.820 1.00 0.00 H new ATOM 0 HH22 ARG A 49 3.847 28.318 6.824 1.00 0.00 H new ATOM 811 N THR A 50 3.058 35.028 -0.136 1.00 0.00 N ATOM 812 CA THR A 50 3.549 35.534 -1.413 1.00 0.00 C ATOM 813 C THR A 50 4.532 34.548 -2.036 1.00 0.00 C ATOM 814 O THR A 50 5.250 33.842 -1.329 1.00 0.00 O ATOM 815 CB THR A 50 4.234 36.888 -1.211 1.00 0.00 C ATOM 816 OG1 THR A 50 5.323 36.738 -0.312 1.00 0.00 O ATOM 817 CG2 THR A 50 3.231 37.892 -0.638 1.00 0.00 C ATOM 0 H THR A 50 3.617 35.297 0.673 1.00 0.00 H new ATOM 0 HA THR A 50 2.700 35.656 -2.086 1.00 0.00 H new ATOM 0 HB THR A 50 4.602 37.254 -2.170 1.00 0.00 H new ATOM 0 HG1 THR A 50 5.763 37.604 -0.184 1.00 0.00 H new ATOM 0 HG21 THR A 50 3.721 38.855 -0.495 1.00 0.00 H new ATOM 0 HG22 THR A 50 2.397 38.009 -1.330 1.00 0.00 H new ATOM 0 HG23 THR A 50 2.859 37.529 0.320 1.00 0.00 H new ATOM 825 N GLY A 51 4.556 34.504 -3.365 1.00 0.00 N ATOM 826 CA GLY A 51 5.453 33.600 -4.075 1.00 0.00 C ATOM 827 C GLY A 51 4.888 33.240 -5.445 1.00 0.00 C ATOM 828 O GLY A 51 4.123 34.008 -6.030 1.00 0.00 O ATOM 0 H GLY A 51 3.969 35.080 -3.968 1.00 0.00 H new ATOM 0 HA2 GLY A 51 6.430 34.068 -4.192 1.00 0.00 H new ATOM 0 HA3 GLY A 51 5.602 32.693 -3.488 1.00 0.00 H new ATOM 832 N GLU A 52 5.268 32.069 -5.948 1.00 0.00 N ATOM 833 CA GLU A 52 4.794 31.612 -7.250 1.00 0.00 C ATOM 834 C GLU A 52 3.807 30.439 -7.083 1.00 0.00 C ATOM 835 O GLU A 52 4.243 29.311 -6.857 1.00 0.00 O ATOM 836 CB GLU A 52 5.989 31.133 -8.078 1.00 0.00 C ATOM 837 CG GLU A 52 7.036 32.247 -8.155 1.00 0.00 C ATOM 838 CD GLU A 52 8.242 31.889 -7.294 1.00 0.00 C ATOM 839 OE1 GLU A 52 8.061 31.713 -6.100 1.00 0.00 O ATOM 840 OE2 GLU A 52 9.330 31.795 -7.839 1.00 0.00 O ATOM 0 H GLU A 52 5.900 31.422 -5.476 1.00 0.00 H new ATOM 0 HA GLU A 52 4.288 32.438 -7.750 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.424 30.241 -7.626 1.00 0.00 H new ATOM 0 HB3 GLU A 52 5.663 30.856 -9.080 1.00 0.00 H new ATOM 0 HG2 GLU A 52 7.348 32.394 -9.189 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.603 33.188 -7.816 1.00 0.00 H new ATOM 847 N PRO A 53 2.506 30.650 -7.190 1.00 0.00 N ATOM 848 CA PRO A 53 1.517 29.538 -7.044 1.00 0.00 C ATOM 849 C PRO A 53 1.820 28.377 -7.987 1.00 0.00 C ATOM 850 O PRO A 53 2.361 28.572 -9.076 1.00 0.00 O ATOM 851 CB PRO A 53 0.172 30.182 -7.392 1.00 0.00 C ATOM 852 CG PRO A 53 0.359 31.644 -7.165 1.00 0.00 C ATOM 853 CD PRO A 53 1.829 31.937 -7.448 1.00 0.00 C ATOM 0 HA PRO A 53 1.537 29.109 -6.042 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -0.105 29.978 -8.426 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -0.627 29.786 -6.764 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -0.287 32.225 -7.823 1.00 0.00 H new ATOM 0 HG3 PRO A 53 0.099 31.915 -6.142 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.979 32.268 -8.476 1.00 0.00 H new ATOM 0 HD3 PRO A 53 2.211 32.726 -6.800 1.00 0.00 H new ATOM 861 N ASP A 54 1.464 27.168 -7.563 1.00 0.00 N ATOM 862 CA ASP A 54 1.702 25.983 -8.379 1.00 0.00 C ATOM 863 C ASP A 54 0.832 26.015 -9.633 1.00 0.00 C ATOM 864 O ASP A 54 -0.304 26.489 -9.599 1.00 0.00 O ATOM 865 CB ASP A 54 1.393 24.721 -7.572 1.00 0.00 C ATOM 866 CG ASP A 54 1.827 23.484 -8.352 1.00 0.00 C ATOM 867 OD1 ASP A 54 2.517 23.645 -9.345 1.00 0.00 O ATOM 868 OD2 ASP A 54 1.462 22.393 -7.944 1.00 0.00 O ATOM 0 H ASP A 54 1.013 26.984 -6.667 1.00 0.00 H new ATOM 0 HA ASP A 54 2.750 25.974 -8.677 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.910 24.757 -6.613 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.326 24.669 -7.357 1.00 0.00 H new ATOM 873 N GLU A 55 1.374 25.512 -10.736 1.00 0.00 N ATOM 874 CA GLU A 55 0.641 25.491 -11.996 1.00 0.00 C ATOM 875 C GLU A 55 -0.691 24.764 -11.834 1.00 0.00 C ATOM 876 O GLU A 55 -0.785 23.776 -11.105 1.00 0.00 O ATOM 877 CB GLU A 55 1.475 24.795 -13.073 1.00 0.00 C ATOM 878 CG GLU A 55 2.768 25.582 -13.302 1.00 0.00 C ATOM 879 CD GLU A 55 3.585 24.931 -14.413 1.00 0.00 C ATOM 880 OE1 GLU A 55 3.223 23.842 -14.828 1.00 0.00 O ATOM 881 OE2 GLU A 55 4.561 25.531 -14.832 1.00 0.00 O ATOM 0 H GLU A 55 2.313 25.116 -10.784 1.00 0.00 H new ATOM 0 HA GLU A 55 0.444 26.521 -12.295 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.707 23.775 -12.767 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.908 24.728 -14.001 1.00 0.00 H new ATOM 0 HG2 GLU A 55 2.534 26.613 -13.568 1.00 0.00 H new ATOM 0 HG3 GLU A 55 3.351 25.615 -12.382 1.00 0.00 H new ATOM 888 N GLU A 56 -1.716 25.261 -12.519 1.00 0.00 N ATOM 889 CA GLU A 56 -3.040 24.653 -12.448 1.00 0.00 C ATOM 890 C GLU A 56 -3.719 24.999 -11.127 1.00 0.00 C ATOM 891 O GLU A 56 -4.653 24.318 -10.701 1.00 0.00 O ATOM 892 CB GLU A 56 -2.927 23.133 -12.582 1.00 0.00 C ATOM 893 CG GLU A 56 -4.190 22.585 -13.250 1.00 0.00 C ATOM 894 CD GLU A 56 -4.133 21.063 -13.302 1.00 0.00 C ATOM 895 OE1 GLU A 56 -3.466 20.486 -12.459 1.00 0.00 O ATOM 896 OE2 GLU A 56 -4.754 20.497 -14.186 1.00 0.00 O ATOM 0 H GLU A 56 -1.656 26.078 -13.126 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.642 25.046 -13.267 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.048 22.874 -13.173 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.796 22.679 -11.600 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.073 22.905 -12.696 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.282 22.988 -14.258 1.00 0.00 H new ATOM 903 N GLU A 57 -3.246 26.061 -10.484 1.00 0.00 N ATOM 904 CA GLU A 57 -3.819 26.488 -9.212 1.00 0.00 C ATOM 905 C GLU A 57 -3.830 25.334 -8.213 1.00 0.00 C ATOM 906 O GLU A 57 -3.596 24.183 -8.581 1.00 0.00 O ATOM 907 CB GLU A 57 -5.246 26.993 -9.431 1.00 0.00 C ATOM 908 CG GLU A 57 -5.220 28.203 -10.367 1.00 0.00 C ATOM 909 CD GLU A 57 -6.625 28.774 -10.521 1.00 0.00 C ATOM 910 OE1 GLU A 57 -7.557 28.138 -10.055 1.00 0.00 O ATOM 911 OE2 GLU A 57 -6.750 29.839 -11.103 1.00 0.00 O ATOM 0 H GLU A 57 -2.474 26.638 -10.819 1.00 0.00 H new ATOM 0 HA GLU A 57 -3.205 27.293 -8.808 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.862 26.202 -9.859 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -5.697 27.267 -8.477 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.550 28.966 -9.970 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.829 27.911 -11.341 1.00 0.00 H new ATOM 918 N GLY A 58 -4.103 25.655 -6.948 1.00 0.00 N ATOM 919 CA GLY A 58 -4.142 24.644 -5.892 1.00 0.00 C ATOM 920 C GLY A 58 -5.546 24.511 -5.311 1.00 0.00 C ATOM 921 O GLY A 58 -5.863 23.523 -4.649 1.00 0.00 O ATOM 0 H GLY A 58 -4.300 26.604 -6.631 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -3.818 23.683 -6.292 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -3.442 24.913 -5.101 1.00 0.00 H new ATOM 925 N THR A 59 -6.382 25.513 -5.560 1.00 0.00 N ATOM 926 CA THR A 59 -7.750 25.497 -5.053 1.00 0.00 C ATOM 927 C THR A 59 -8.610 24.521 -5.851 1.00 0.00 C ATOM 928 O THR A 59 -9.838 24.592 -5.816 1.00 0.00 O ATOM 929 CB THR A 59 -8.355 26.900 -5.137 1.00 0.00 C ATOM 930 OG1 THR A 59 -9.573 26.934 -4.406 1.00 0.00 O ATOM 931 CG2 THR A 59 -8.624 27.253 -6.601 1.00 0.00 C ATOM 0 H THR A 59 -6.140 26.340 -6.105 1.00 0.00 H new ATOM 0 HA THR A 59 -7.726 25.173 -4.013 1.00 0.00 H new ATOM 0 HB THR A 59 -7.658 27.623 -4.713 1.00 0.00 H new ATOM 0 HG1 THR A 59 -9.961 27.833 -4.458 1.00 0.00 H new ATOM 0 HG21 THR A 59 -9.055 28.252 -6.661 1.00 0.00 H new ATOM 0 HG22 THR A 59 -7.688 27.227 -7.159 1.00 0.00 H new ATOM 0 HG23 THR A 59 -9.321 26.531 -7.027 1.00 0.00 H new ATOM 939 N PHE A 60 -7.958 23.605 -6.560 1.00 0.00 N ATOM 940 CA PHE A 60 -8.682 22.615 -7.351 1.00 0.00 C ATOM 941 C PHE A 60 -9.394 21.649 -6.417 1.00 0.00 C ATOM 942 O PHE A 60 -10.561 21.307 -6.613 1.00 0.00 O ATOM 943 CB PHE A 60 -7.710 21.848 -8.250 1.00 0.00 C ATOM 944 CG PHE A 60 -8.446 20.748 -8.975 1.00 0.00 C ATOM 945 CD1 PHE A 60 -9.136 21.028 -10.160 1.00 0.00 C ATOM 946 CD2 PHE A 60 -8.434 19.446 -8.462 1.00 0.00 C ATOM 947 CE1 PHE A 60 -9.815 20.004 -10.833 1.00 0.00 C ATOM 948 CE2 PHE A 60 -9.113 18.422 -9.134 1.00 0.00 C ATOM 949 CZ PHE A 60 -9.803 18.701 -10.319 1.00 0.00 C ATOM 0 H PHE A 60 -6.942 23.527 -6.604 1.00 0.00 H new ATOM 0 HA PHE A 60 -9.415 23.121 -7.979 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -7.252 22.527 -8.969 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -6.903 21.425 -7.652 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -9.145 22.033 -10.555 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -7.901 19.231 -7.548 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -10.347 20.219 -11.748 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -9.104 17.417 -8.738 1.00 0.00 H new ATOM 0 HZ PHE A 60 -10.327 17.911 -10.837 1.00 0.00 H new ATOM 959 N ARG A 61 -8.668 21.235 -5.392 1.00 0.00 N ATOM 960 CA ARG A 61 -9.190 20.324 -4.390 1.00 0.00 C ATOM 961 C ARG A 61 -10.344 20.970 -3.636 1.00 0.00 C ATOM 962 O ARG A 61 -11.265 20.292 -3.195 1.00 0.00 O ATOM 963 CB ARG A 61 -8.077 19.947 -3.420 1.00 0.00 C ATOM 964 CG ARG A 61 -6.893 19.402 -4.220 1.00 0.00 C ATOM 965 CD ARG A 61 -5.743 19.058 -3.277 1.00 0.00 C ATOM 966 NE ARG A 61 -5.917 17.717 -2.734 1.00 0.00 N ATOM 967 CZ ARG A 61 -5.682 16.644 -3.478 1.00 0.00 C ATOM 968 NH1 ARG A 61 -5.304 16.784 -4.719 1.00 0.00 N ATOM 969 NH2 ARG A 61 -5.826 15.451 -2.969 1.00 0.00 N ATOM 0 H ARG A 61 -7.702 21.521 -5.232 1.00 0.00 H new ATOM 0 HA ARG A 61 -9.561 19.425 -4.883 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.772 20.817 -2.839 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -8.431 19.198 -2.711 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.196 18.515 -4.776 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.566 20.141 -4.952 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.795 19.121 -3.811 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.700 19.784 -2.465 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.224 17.602 -1.768 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.190 17.717 -5.115 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.123 15.960 -5.293 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -6.120 15.343 -1.998 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -5.645 14.627 -3.542 1.00 0.00 H new ATOM 983 N SER A 62 -10.277 22.288 -3.484 1.00 0.00 N ATOM 984 CA SER A 62 -11.318 23.017 -2.769 1.00 0.00 C ATOM 985 C SER A 62 -12.663 22.816 -3.452 1.00 0.00 C ATOM 986 O SER A 62 -13.704 22.787 -2.795 1.00 0.00 O ATOM 987 CB SER A 62 -10.983 24.509 -2.722 1.00 0.00 C ATOM 988 OG SER A 62 -9.748 24.693 -2.039 1.00 0.00 O ATOM 0 H SER A 62 -9.520 22.869 -3.843 1.00 0.00 H new ATOM 0 HA SER A 62 -11.373 22.632 -1.751 1.00 0.00 H new ATOM 0 HB2 SER A 62 -10.916 24.910 -3.733 1.00 0.00 H new ATOM 0 HB3 SER A 62 -11.777 25.056 -2.214 1.00 0.00 H new ATOM 0 HG SER A 62 -9.450 25.620 -2.146 1.00 0.00 H new ATOM 994 N SER A 63 -12.640 22.664 -4.770 1.00 0.00 N ATOM 995 CA SER A 63 -13.870 22.452 -5.516 1.00 0.00 C ATOM 996 C SER A 63 -14.508 21.134 -5.088 1.00 0.00 C ATOM 997 O SER A 63 -15.717 20.960 -5.187 1.00 0.00 O ATOM 998 CB SER A 63 -13.578 22.422 -7.017 1.00 0.00 C ATOM 999 OG SER A 63 -12.820 23.570 -7.370 1.00 0.00 O ATOM 0 H SER A 63 -11.793 22.683 -5.338 1.00 0.00 H new ATOM 0 HA SER A 63 -14.557 23.272 -5.307 1.00 0.00 H new ATOM 0 HB2 SER A 63 -13.029 21.516 -7.274 1.00 0.00 H new ATOM 0 HB3 SER A 63 -14.511 22.400 -7.580 1.00 0.00 H new ATOM 0 HG SER A 63 -12.629 23.553 -8.331 1.00 0.00 H new ATOM 1005 N ILE A 64 -13.680 20.216 -4.598 1.00 0.00 N ATOM 1006 CA ILE A 64 -14.169 18.918 -4.143 1.00 0.00 C ATOM 1007 C ILE A 64 -15.128 19.094 -2.966 1.00 0.00 C ATOM 1008 O ILE A 64 -16.063 18.312 -2.798 1.00 0.00 O ATOM 1009 CB ILE A 64 -12.995 18.000 -3.751 1.00 0.00 C ATOM 1010 CG1 ILE A 64 -13.331 16.564 -4.175 1.00 0.00 C ATOM 1011 CG2 ILE A 64 -12.745 18.036 -2.233 1.00 0.00 C ATOM 1012 CD1 ILE A 64 -12.304 15.594 -3.587 1.00 0.00 C ATOM 0 H ILE A 64 -12.672 20.345 -4.506 1.00 0.00 H new ATOM 0 HA ILE A 64 -14.710 18.447 -4.964 1.00 0.00 H new ATOM 0 HB ILE A 64 -12.093 18.349 -4.253 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -14.332 16.299 -3.833 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -13.335 16.488 -5.262 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -11.911 17.379 -1.986 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -12.507 19.055 -1.928 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -13.640 17.700 -1.709 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -12.548 14.576 -3.892 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -11.309 15.853 -3.950 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -12.321 15.661 -2.499 1.00 0.00 H new ATOM 1024 N ARG A 65 -14.890 20.124 -2.153 1.00 0.00 N ATOM 1025 CA ARG A 65 -15.748 20.373 -1.001 1.00 0.00 C ATOM 1026 C ARG A 65 -17.182 20.546 -1.469 1.00 0.00 C ATOM 1027 O ARG A 65 -18.122 20.190 -0.760 1.00 0.00 O ATOM 1028 CB ARG A 65 -15.292 21.628 -0.250 1.00 0.00 C ATOM 1029 CG ARG A 65 -16.249 21.899 0.915 1.00 0.00 C ATOM 1030 CD ARG A 65 -15.661 22.979 1.824 1.00 0.00 C ATOM 1031 NE ARG A 65 -16.499 23.158 3.005 1.00 0.00 N ATOM 1032 CZ ARG A 65 -17.687 23.748 2.920 1.00 0.00 C ATOM 1033 NH1 ARG A 65 -18.122 24.179 1.768 1.00 0.00 N ATOM 1034 NH2 ARG A 65 -18.418 23.898 3.991 1.00 0.00 N ATOM 0 H ARG A 65 -14.124 20.787 -2.270 1.00 0.00 H new ATOM 0 HA ARG A 65 -15.683 19.522 -0.322 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -14.277 21.493 0.123 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -15.273 22.483 -0.926 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -17.219 22.219 0.535 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -16.415 20.983 1.482 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -14.651 22.700 2.125 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -15.583 23.920 1.279 1.00 0.00 H new ATOM 0 HE ARG A 65 -16.168 22.825 3.910 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -17.550 24.063 0.931 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -19.034 24.632 1.704 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -18.077 23.563 4.892 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -19.330 24.351 3.927 1.00 0.00 H new ATOM 1048 N ARG A 66 -17.346 21.062 -2.681 1.00 0.00 N ATOM 1049 CA ARG A 66 -18.676 21.233 -3.233 1.00 0.00 C ATOM 1050 C ARG A 66 -19.379 19.883 -3.213 1.00 0.00 C ATOM 1051 O ARG A 66 -20.578 19.796 -2.986 1.00 0.00 O ATOM 1052 CB ARG A 66 -18.602 21.812 -4.656 1.00 0.00 C ATOM 1053 CG ARG A 66 -18.538 20.695 -5.704 1.00 0.00 C ATOM 1054 CD ARG A 66 -18.102 21.290 -7.045 1.00 0.00 C ATOM 1055 NE ARG A 66 -18.112 20.266 -8.087 1.00 0.00 N ATOM 1056 CZ ARG A 66 -19.144 20.112 -8.918 1.00 0.00 C ATOM 1057 NH1 ARG A 66 -20.219 20.847 -8.793 1.00 0.00 N ATOM 1058 NH2 ARG A 66 -19.085 19.208 -9.857 1.00 0.00 N ATOM 0 H ARG A 66 -16.585 21.364 -3.289 1.00 0.00 H new ATOM 0 HA ARG A 66 -19.245 21.943 -2.633 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -19.473 22.440 -4.842 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -17.723 22.451 -4.747 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -17.835 19.924 -5.389 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -19.512 20.217 -5.804 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -18.770 22.106 -7.322 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -17.102 21.714 -6.953 1.00 0.00 H new ATOM 0 HE ARG A 66 -17.305 19.650 -8.182 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -20.275 21.548 -8.054 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -21.001 20.720 -9.435 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -18.254 18.625 -9.952 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -19.870 19.085 -10.496 1.00 0.00 H new ATOM 1072 N LEU A 67 -18.607 18.828 -3.427 1.00 0.00 N ATOM 1073 CA LEU A 67 -19.146 17.478 -3.407 1.00 0.00 C ATOM 1074 C LEU A 67 -19.818 17.201 -2.064 1.00 0.00 C ATOM 1075 O LEU A 67 -20.662 16.315 -1.952 1.00 0.00 O ATOM 1076 CB LEU A 67 -18.012 16.471 -3.625 1.00 0.00 C ATOM 1077 CG LEU A 67 -18.578 15.158 -4.167 1.00 0.00 C ATOM 1078 CD1 LEU A 67 -18.520 15.169 -5.696 1.00 0.00 C ATOM 1079 CD2 LEU A 67 -17.744 13.989 -3.639 1.00 0.00 C ATOM 0 H LEU A 67 -17.606 18.881 -3.616 1.00 0.00 H new ATOM 0 HA LEU A 67 -19.884 17.379 -4.203 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -17.282 16.878 -4.324 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -17.488 16.291 -2.686 1.00 0.00 H new ATOM 0 HG LEU A 67 -19.612 15.047 -3.842 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -18.923 14.233 -6.082 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -19.110 16.003 -6.076 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -17.485 15.279 -6.020 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -18.146 13.052 -4.024 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -16.710 14.102 -3.966 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -17.781 13.979 -2.550 1.00 0.00 H new ATOM 1091 N SER A 68 -19.419 17.953 -1.040 1.00 0.00 N ATOM 1092 CA SER A 68 -19.976 17.761 0.295 1.00 0.00 C ATOM 1093 C SER A 68 -21.416 18.261 0.385 1.00 0.00 C ATOM 1094 O SER A 68 -22.290 17.556 0.891 1.00 0.00 O ATOM 1095 CB SER A 68 -19.120 18.496 1.326 1.00 0.00 C ATOM 1096 OG SER A 68 -19.512 18.096 2.633 1.00 0.00 O ATOM 0 H SER A 68 -18.720 18.693 -1.108 1.00 0.00 H new ATOM 0 HA SER A 68 -19.975 16.691 0.502 1.00 0.00 H new ATOM 0 HB2 SER A 68 -18.065 18.272 1.166 1.00 0.00 H new ATOM 0 HB3 SER A 68 -19.238 19.574 1.212 1.00 0.00 H new ATOM 0 HG SER A 68 -18.964 18.564 3.297 1.00 0.00 H new ATOM 1102 N THR A 69 -21.656 19.479 -0.099 1.00 0.00 N ATOM 1103 CA THR A 69 -22.996 20.064 -0.053 1.00 0.00 C ATOM 1104 C THR A 69 -23.642 20.078 -1.434 1.00 0.00 C ATOM 1105 O THR A 69 -24.837 19.827 -1.571 1.00 0.00 O ATOM 1106 CB THR A 69 -22.919 21.494 0.487 1.00 0.00 C ATOM 1107 OG1 THR A 69 -23.958 22.273 -0.090 1.00 0.00 O ATOM 1108 CG2 THR A 69 -21.561 22.102 0.130 1.00 0.00 C ATOM 0 H THR A 69 -20.947 20.076 -0.524 1.00 0.00 H new ATOM 0 HA THR A 69 -23.609 19.450 0.607 1.00 0.00 H new ATOM 0 HB THR A 69 -23.035 21.482 1.571 1.00 0.00 H new ATOM 0 HG1 THR A 69 -23.911 23.189 0.256 1.00 0.00 H new ATOM 0 HG21 THR A 69 -21.506 23.120 0.514 1.00 0.00 H new ATOM 0 HG22 THR A 69 -20.766 21.503 0.574 1.00 0.00 H new ATOM 0 HG23 THR A 69 -21.442 22.116 -0.953 1.00 0.00 H new ATOM 1116 N ARG A 70 -22.850 20.378 -2.456 1.00 0.00 N ATOM 1117 CA ARG A 70 -23.367 20.424 -3.823 1.00 0.00 C ATOM 1118 C ARG A 70 -23.988 19.084 -4.213 1.00 0.00 C ATOM 1119 O ARG A 70 -25.202 18.977 -4.375 1.00 0.00 O ATOM 1120 CB ARG A 70 -22.240 20.771 -4.803 1.00 0.00 C ATOM 1121 CG ARG A 70 -22.818 21.420 -6.067 1.00 0.00 C ATOM 1122 CD ARG A 70 -23.766 20.449 -6.777 1.00 0.00 C ATOM 1123 NE ARG A 70 -23.925 20.829 -8.180 1.00 0.00 N ATOM 1124 CZ ARG A 70 -23.172 20.297 -9.145 1.00 0.00 C ATOM 1125 NH1 ARG A 70 -22.242 19.422 -8.862 1.00 0.00 N ATOM 1126 NH2 ARG A 70 -23.362 20.658 -10.385 1.00 0.00 N ATOM 0 H ARG A 70 -21.856 20.592 -2.369 1.00 0.00 H new ATOM 0 HA ARG A 70 -24.137 21.194 -3.869 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -21.532 21.450 -4.328 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -21.688 19.869 -5.068 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -23.352 22.333 -5.804 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -22.009 21.706 -6.739 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -23.375 19.434 -6.710 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -24.737 20.450 -6.281 1.00 0.00 H new ATOM 0 HE ARG A 70 -24.632 21.521 -8.428 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -22.086 19.139 -7.895 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -21.673 19.023 -9.609 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -24.083 21.343 -10.612 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -22.790 20.255 -11.127 1.00 0.00 H new ATOM 1140 N ARG A 71 -23.144 18.068 -4.372 1.00 0.00 N ATOM 1141 CA ARG A 71 -23.620 16.744 -4.756 1.00 0.00 C ATOM 1142 C ARG A 71 -24.898 16.398 -4.001 1.00 0.00 C ATOM 1143 O ARG A 71 -25.802 15.766 -4.549 1.00 0.00 O ATOM 1144 CB ARG A 71 -22.546 15.697 -4.456 1.00 0.00 C ATOM 1145 CG ARG A 71 -22.986 14.331 -4.987 1.00 0.00 C ATOM 1146 CD ARG A 71 -21.898 13.299 -4.688 1.00 0.00 C ATOM 1147 NE ARG A 71 -22.377 11.954 -4.990 1.00 0.00 N ATOM 1148 CZ ARG A 71 -22.284 11.448 -6.216 1.00 0.00 C ATOM 1149 NH1 ARG A 71 -21.768 12.159 -7.181 1.00 0.00 N ATOM 1150 NH2 ARG A 71 -22.714 10.240 -6.455 1.00 0.00 N ATOM 0 H ARG A 71 -22.135 18.136 -4.242 1.00 0.00 H new ATOM 0 HA ARG A 71 -23.833 16.748 -5.825 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -21.602 15.989 -4.917 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -22.372 15.640 -3.382 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -23.925 14.032 -4.521 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -23.166 14.386 -6.061 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -21.009 13.517 -5.279 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -21.607 13.361 -3.640 1.00 0.00 H new ATOM 0 HE ARG A 71 -22.791 11.392 -4.247 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -21.435 13.105 -6.996 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -21.698 11.769 -8.121 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -23.121 9.685 -5.702 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -22.643 9.850 -7.395 1.00 0.00 H new ATOM 1164 N ARG A 72 -24.968 16.814 -2.742 1.00 0.00 N ATOM 1165 CA ARG A 72 -26.143 16.540 -1.925 1.00 0.00 C ATOM 1166 C ARG A 72 -26.407 17.690 -0.958 1.00 0.00 C ATOM 1167 O ARG A 72 -26.917 18.705 -1.402 1.00 0.00 O ATOM 1168 CB ARG A 72 -25.940 15.244 -1.138 1.00 0.00 C ATOM 1169 CG ARG A 72 -27.260 14.832 -0.486 1.00 0.00 C ATOM 1170 CD ARG A 72 -27.057 13.542 0.311 1.00 0.00 C ATOM 1171 NE ARG A 72 -28.308 13.139 0.944 1.00 0.00 N ATOM 1172 CZ ARG A 72 -28.519 11.878 1.309 1.00 0.00 C ATOM 1173 NH1 ARG A 72 -27.595 10.978 1.109 1.00 0.00 N ATOM 1174 NH2 ARG A 72 -29.648 11.542 1.872 1.00 0.00 N ATOM 1175 OXT ARG A 72 -26.095 17.538 0.212 1.00 0.00 O ATOM 0 H ARG A 72 -24.232 17.338 -2.268 1.00 0.00 H new ATOM 0 HA ARG A 72 -27.004 16.434 -2.585 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -25.588 14.454 -1.802 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -25.174 15.385 -0.376 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -27.616 15.625 0.171 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -28.024 14.684 -1.249 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -26.703 12.750 -0.349 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -26.289 13.692 1.070 1.00 0.00 H new ATOM 0 HE ARG A 72 -29.033 13.837 1.109 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -26.712 11.242 0.673 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -27.756 10.011 1.389 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -30.368 12.247 2.032 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -29.810 10.575 2.152 1.00 0.00 H new TER 1189 ARG A 72