USER MOD reduce.3.24.130724 H: found=0, std=0, add=790, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 790 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 52 GLN : amide:sc= -0.975 X(o=0.26,f=-0.12) USER MOD Set 1.2: A 56 ASN : amide:sc= 1.24 X(o=0.26,f=-0.12) USER MOD Set 2.1: A 18 ASN : amide:sc= 1.01 K(o=0.093,f=-3.8!) USER MOD Set 2.2: A 21 GLN : amide:sc= -0.913 X(o=0.093,f=0.48) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -123:sc= 0.04 (180deg=-0.0441) USER MOD Single : A 3 GLN : amide:sc= -0.336 X(o=-0.34,f=-0.56) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 152:sc= 1.27 (180deg=1.06) USER MOD Single : A 12 ASN : amide:sc= -0.018 K(o=-0.018,f=-1.2) USER MOD Single : A 13 GLN : amide:sc= -0.398 X(o=-0.4,f=0) USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 162:sc= -0.0209 (180deg=-0.215) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 MET CE :methyl -138:sc= 0 (180deg=-0.746) USER MOD Single : A 43 ASN : amide:sc= 1.39 K(o=1.4,f=-0.0079) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -171:sc= 1.25 (180deg=1.16) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= 0.488 K(o=0.49,f=-2.4!) USER MOD Single : A 58 TYR OH : rot 15:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0.676 K(o=0.68,f=-4.9!) USER MOD Single : A 60 SER OG : rot 77:sc= 1.25 USER MOD Single : A 65 ASN : amide:sc= 0 K(o=0,f=-2.2!) USER MOD Single : A 68 SER OG : rot -160:sc= 0.142 USER MOD Single : A 72 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl -135:sc= -0.933 (180deg=-1.98) USER MOD Single : A 78 MET CE :methyl -135:sc= -1.69 (180deg=-3.61!) USER MOD Single : A 82 ASN : amide:sc= -0.0225 X(o=-0.023,f=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0.613 K(o=0.61,f=-4.1!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 MET CE :methyl -134:sc= -0.811 (180deg=-4.31!) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= 1.14 K(o=1.1,f=-0.25) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 HIS : no HD1:sc= -1.09 K(o=-1.1,f=0.13) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 96 HIS : no HD1:sc= -0.0509 X(o=-0.051,f=0) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 HIS : no HD1:sc= -0.192 X(o=-0.19,f=-0.0038) USER MOD Single : A 99 HIS : no HD1:sc= -0.125 X(o=-0.13,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.400 14.618 13.903 1.00 62.15 N ATOM 2 CA MET A 1 -6.804 13.557 12.951 1.00 33.10 C ATOM 3 C MET A 1 -5.608 12.691 12.599 1.00 54.30 C ATOM 4 O MET A 1 -4.466 13.151 12.638 1.00 31.25 O ATOM 5 CB MET A 1 -7.380 14.163 11.663 1.00 52.42 C ATOM 6 CG MET A 1 -8.669 14.936 11.863 1.00 44.04 C ATOM 7 SD MET A 1 -9.316 15.600 10.315 1.00 0.00 S ATOM 8 CE MET A 1 -10.778 16.451 10.900 1.00 41.33 C ATOM 0 H1 MET A 1 -6.982 14.553 14.763 1.00 62.15 H new ATOM 0 H2 MET A 1 -5.398 14.497 14.153 1.00 62.15 H new ATOM 0 H3 MET A 1 -6.537 15.550 13.462 1.00 62.15 H new ATOM 0 HA MET A 1 -7.573 12.951 13.431 1.00 33.10 H new ATOM 0 HB2 MET A 1 -6.636 14.827 11.223 1.00 52.42 H new ATOM 0 HB3 MET A 1 -7.557 13.362 10.945 1.00 52.42 H new ATOM 0 HG2 MET A 1 -9.415 14.283 12.316 1.00 44.04 H new ATOM 0 HG3 MET A 1 -8.495 15.754 12.562 1.00 44.04 H new ATOM 0 HE1 MET A 1 -11.290 16.916 10.057 1.00 41.33 H new ATOM 0 HE2 MET A 1 -11.446 15.737 11.382 1.00 41.33 H new ATOM 0 HE3 MET A 1 -10.489 17.219 11.617 1.00 41.33 H new ATOM 20 N ASP A 2 -5.865 11.436 12.264 1.00 24.24 N ATOM 21 CA ASP A 2 -4.805 10.552 11.804 1.00 23.04 C ATOM 22 C ASP A 2 -4.455 10.884 10.369 1.00 4.41 C ATOM 23 O ASP A 2 -5.334 10.947 9.509 1.00 70.33 O ATOM 24 CB ASP A 2 -5.205 9.075 11.898 1.00 3.23 C ATOM 25 CG ASP A 2 -5.149 8.532 13.306 1.00 12.44 C ATOM 26 OD1 ASP A 2 -4.034 8.297 13.819 1.00 1.40 O ATOM 27 OD2 ASP A 2 -6.224 8.326 13.907 1.00 51.42 O ATOM 0 H ASP A 2 -6.791 11.009 12.301 1.00 24.24 H new ATOM 0 HA ASP A 2 -3.943 10.707 12.453 1.00 23.04 H new ATOM 0 HB2 ASP A 2 -6.216 8.954 11.509 1.00 3.23 H new ATOM 0 HB3 ASP A 2 -4.545 8.485 11.262 1.00 3.23 H new ATOM 32 N GLN A 3 -3.173 11.103 10.125 1.00 50.41 N ATOM 33 CA GLN A 3 -2.670 11.366 8.782 1.00 4.04 C ATOM 34 C GLN A 3 -3.126 10.288 7.816 1.00 74.43 C ATOM 35 O GLN A 3 -3.608 10.571 6.723 1.00 41.34 O ATOM 36 CB GLN A 3 -1.147 11.402 8.810 1.00 51.21 C ATOM 37 CG GLN A 3 -0.572 12.795 8.921 1.00 2.42 C ATOM 38 CD GLN A 3 -0.992 13.657 7.758 1.00 2.12 C ATOM 39 OE1 GLN A 3 -1.921 14.462 7.853 1.00 20.14 O ATOM 40 NE2 GLN A 3 -0.366 13.419 6.628 1.00 41.40 N ATOM 0 H GLN A 3 -2.453 11.104 10.847 1.00 50.41 H new ATOM 0 HA GLN A 3 -3.062 12.326 8.447 1.00 4.04 H new ATOM 0 HB2 GLN A 3 -0.794 10.805 9.651 1.00 51.21 H new ATOM 0 HB3 GLN A 3 -0.765 10.932 7.904 1.00 51.21 H new ATOM 0 HG2 GLN A 3 -0.902 13.253 9.853 1.00 2.42 H new ATOM 0 HG3 GLN A 3 0.516 12.739 8.961 1.00 2.42 H new ATOM 0 HE21 GLN A 3 0.397 12.743 6.600 1.00 41.40 H new ATOM 0 HE22 GLN A 3 -0.643 13.910 5.778 1.00 41.40 H new ATOM 49 N LEU A 4 -2.971 9.056 8.261 1.00 12.35 N ATOM 50 CA LEU A 4 -3.394 7.874 7.513 1.00 51.14 C ATOM 51 C LEU A 4 -4.847 7.969 7.048 1.00 60.53 C ATOM 52 O LEU A 4 -5.175 7.560 5.934 1.00 40.32 O ATOM 53 CB LEU A 4 -3.231 6.631 8.384 1.00 12.23 C ATOM 54 CG LEU A 4 -1.806 6.352 8.856 1.00 31.30 C ATOM 55 CD1 LEU A 4 -1.807 5.291 9.944 1.00 34.32 C ATOM 56 CD2 LEU A 4 -0.934 5.919 7.686 1.00 21.45 C ATOM 0 H LEU A 4 -2.544 8.839 9.161 1.00 12.35 H new ATOM 0 HA LEU A 4 -2.763 7.809 6.627 1.00 51.14 H new ATOM 0 HB2 LEU A 4 -3.873 6.733 9.259 1.00 12.23 H new ATOM 0 HB3 LEU A 4 -3.588 5.766 7.825 1.00 12.23 H new ATOM 0 HG LEU A 4 -1.391 7.270 9.272 1.00 31.30 H new ATOM 0 HD11 LEU A 4 -0.784 5.103 10.270 1.00 34.32 H new ATOM 0 HD12 LEU A 4 -2.400 5.638 10.790 1.00 34.32 H new ATOM 0 HD13 LEU A 4 -2.238 4.369 9.553 1.00 34.32 H new ATOM 0 HD21 LEU A 4 0.079 5.724 8.039 1.00 21.45 H new ATOM 0 HD22 LEU A 4 -1.344 5.012 7.242 1.00 21.45 H new ATOM 0 HD23 LEU A 4 -0.911 6.711 6.937 1.00 21.45 H new ATOM 68 N LYS A 5 -5.716 8.505 7.898 1.00 5.35 N ATOM 69 CA LYS A 5 -7.129 8.622 7.562 1.00 4.15 C ATOM 70 C LYS A 5 -7.319 9.616 6.425 1.00 51.01 C ATOM 71 O LYS A 5 -8.056 9.356 5.479 1.00 11.15 O ATOM 72 CB LYS A 5 -7.949 9.040 8.785 1.00 30.23 C ATOM 73 CG LYS A 5 -9.442 9.112 8.512 1.00 73.55 C ATOM 74 CD LYS A 5 -10.244 9.281 9.791 1.00 22.21 C ATOM 75 CE LYS A 5 -10.028 8.111 10.736 1.00 32.01 C ATOM 76 NZ LYS A 5 -10.938 8.164 11.908 1.00 31.33 N ATOM 0 H LYS A 5 -5.468 8.864 8.820 1.00 5.35 H new ATOM 0 HA LYS A 5 -7.486 7.645 7.236 1.00 4.15 H new ATOM 0 HB2 LYS A 5 -7.768 8.332 9.594 1.00 30.23 H new ATOM 0 HB3 LYS A 5 -7.603 10.014 9.130 1.00 30.23 H new ATOM 0 HG2 LYS A 5 -9.649 9.946 7.841 1.00 73.55 H new ATOM 0 HG3 LYS A 5 -9.762 8.204 8.000 1.00 73.55 H new ATOM 0 HD2 LYS A 5 -9.954 10.208 10.285 1.00 22.21 H new ATOM 0 HD3 LYS A 5 -11.304 9.366 9.550 1.00 22.21 H new ATOM 0 HE2 LYS A 5 -10.186 7.177 10.197 1.00 32.01 H new ATOM 0 HE3 LYS A 5 -8.994 8.110 11.080 1.00 32.01 H new ATOM 0 HZ1 LYS A 5 -10.756 7.347 12.526 1.00 31.33 H new ATOM 0 HZ2 LYS A 5 -10.771 9.043 12.438 1.00 31.33 H new ATOM 0 HZ3 LYS A 5 -11.925 8.139 11.582 1.00 31.33 H new ATOM 90 N THR A 6 -6.633 10.745 6.517 1.00 24.11 N ATOM 91 CA THR A 6 -6.640 11.735 5.454 1.00 21.11 C ATOM 92 C THR A 6 -6.132 11.124 4.145 1.00 14.14 C ATOM 93 O THR A 6 -6.682 11.371 3.072 1.00 1.04 O ATOM 94 CB THR A 6 -5.762 12.945 5.836 1.00 72.01 C ATOM 95 OG1 THR A 6 -6.297 13.592 7.001 1.00 63.43 O ATOM 96 CG2 THR A 6 -5.663 13.945 4.693 1.00 30.13 C ATOM 0 H THR A 6 -6.061 10.998 7.323 1.00 24.11 H new ATOM 0 HA THR A 6 -7.667 12.071 5.313 1.00 21.11 H new ATOM 0 HB THR A 6 -4.759 12.575 6.050 1.00 72.01 H new ATOM 0 HG1 THR A 6 -5.733 14.358 7.238 1.00 63.43 H new ATOM 0 HG21 THR A 6 -5.037 14.784 4.997 1.00 30.13 H new ATOM 0 HG22 THR A 6 -5.222 13.460 3.822 1.00 30.13 H new ATOM 0 HG23 THR A 6 -6.659 14.308 4.440 1.00 30.13 H new ATOM 104 N ILE A 7 -5.095 10.306 4.258 1.00 25.51 N ATOM 105 CA ILE A 7 -4.482 9.666 3.103 1.00 1.50 C ATOM 106 C ILE A 7 -5.457 8.728 2.397 1.00 61.22 C ATOM 107 O ILE A 7 -5.643 8.827 1.184 1.00 23.23 O ATOM 108 CB ILE A 7 -3.215 8.893 3.519 1.00 11.40 C ATOM 109 CG1 ILE A 7 -2.169 9.879 4.053 1.00 52.13 C ATOM 110 CG2 ILE A 7 -2.664 8.093 2.346 1.00 62.24 C ATOM 111 CD1 ILE A 7 -1.011 9.222 4.765 1.00 61.41 C ATOM 0 H ILE A 7 -4.657 10.068 5.148 1.00 25.51 H new ATOM 0 HA ILE A 7 -4.205 10.454 2.403 1.00 1.50 H new ATOM 0 HB ILE A 7 -3.468 8.186 4.309 1.00 11.40 H new ATOM 0 HG12 ILE A 7 -1.783 10.469 3.221 1.00 52.13 H new ATOM 0 HG13 ILE A 7 -2.656 10.574 4.738 1.00 52.13 H new ATOM 0 HG21 ILE A 7 -1.770 7.555 2.661 1.00 62.24 H new ATOM 0 HG22 ILE A 7 -3.416 7.381 2.006 1.00 62.24 H new ATOM 0 HG23 ILE A 7 -2.411 8.770 1.530 1.00 62.24 H new ATOM 0 HD11 ILE A 7 -0.316 9.987 5.112 1.00 61.41 H new ATOM 0 HD12 ILE A 7 -1.383 8.655 5.619 1.00 61.41 H new ATOM 0 HD13 ILE A 7 -0.497 8.549 4.079 1.00 61.41 H new ATOM 123 N LYS A 8 -6.094 7.833 3.148 1.00 3.32 N ATOM 124 CA LYS A 8 -7.042 6.895 2.551 1.00 62.33 C ATOM 125 C LYS A 8 -8.240 7.639 1.963 1.00 31.53 C ATOM 126 O LYS A 8 -8.823 7.204 0.971 1.00 24.04 O ATOM 127 CB LYS A 8 -7.482 5.814 3.555 1.00 61.12 C ATOM 128 CG LYS A 8 -8.050 6.346 4.860 1.00 61.54 C ATOM 129 CD LYS A 8 -8.338 5.221 5.849 1.00 14.23 C ATOM 130 CE LYS A 8 -7.073 4.448 6.199 1.00 54.31 C ATOM 131 NZ LYS A 8 -7.332 3.339 7.156 1.00 11.32 N ATOM 0 H LYS A 8 -5.974 7.737 4.156 1.00 3.32 H new ATOM 0 HA LYS A 8 -6.534 6.380 1.736 1.00 62.33 H new ATOM 0 HB2 LYS A 8 -8.232 5.182 3.080 1.00 61.12 H new ATOM 0 HB3 LYS A 8 -6.626 5.178 3.781 1.00 61.12 H new ATOM 0 HG2 LYS A 8 -7.345 7.049 5.304 1.00 61.54 H new ATOM 0 HG3 LYS A 8 -8.968 6.898 4.659 1.00 61.54 H new ATOM 0 HD2 LYS A 8 -8.775 5.636 6.757 1.00 14.23 H new ATOM 0 HD3 LYS A 8 -9.075 4.541 5.423 1.00 14.23 H new ATOM 0 HE2 LYS A 8 -6.635 4.042 5.287 1.00 54.31 H new ATOM 0 HE3 LYS A 8 -6.340 5.131 6.629 1.00 54.31 H new ATOM 0 HZ1 LYS A 8 -6.630 2.585 7.012 1.00 11.32 H new ATOM 0 HZ2 LYS A 8 -7.261 3.697 8.130 1.00 11.32 H new ATOM 0 HZ3 LYS A 8 -8.286 2.958 6.996 1.00 11.32 H new ATOM 145 N GLU A 9 -8.589 8.776 2.561 1.00 42.42 N ATOM 146 CA GLU A 9 -9.616 9.648 2.000 1.00 44.42 C ATOM 147 C GLU A 9 -9.166 10.191 0.648 1.00 32.43 C ATOM 148 O GLU A 9 -9.932 10.194 -0.314 1.00 35.14 O ATOM 149 CB GLU A 9 -9.917 10.810 2.948 1.00 3.45 C ATOM 150 CG GLU A 9 -10.693 10.405 4.186 1.00 65.12 C ATOM 151 CD GLU A 9 -12.114 9.988 3.872 1.00 0.15 C ATOM 152 OE1 GLU A 9 -12.330 8.822 3.485 1.00 61.13 O ATOM 153 OE2 GLU A 9 -13.027 10.832 4.013 1.00 21.34 O ATOM 0 H GLU A 9 -8.177 9.113 3.431 1.00 42.42 H new ATOM 0 HA GLU A 9 -10.525 9.061 1.867 1.00 44.42 H new ATOM 0 HB2 GLU A 9 -8.977 11.270 3.254 1.00 3.45 H new ATOM 0 HB3 GLU A 9 -10.483 11.570 2.408 1.00 3.45 H new ATOM 0 HG2 GLU A 9 -10.177 9.582 4.680 1.00 65.12 H new ATOM 0 HG3 GLU A 9 -10.710 11.238 4.889 1.00 65.12 H new ATOM 160 N LEU A 10 -7.918 10.645 0.581 1.00 14.33 N ATOM 161 CA LEU A 10 -7.339 11.142 -0.664 1.00 41.44 C ATOM 162 C LEU A 10 -7.382 10.066 -1.742 1.00 60.34 C ATOM 163 O LEU A 10 -7.762 10.329 -2.883 1.00 43.52 O ATOM 164 CB LEU A 10 -5.890 11.589 -0.438 1.00 2.44 C ATOM 165 CG LEU A 10 -5.709 12.785 0.496 1.00 24.20 C ATOM 166 CD1 LEU A 10 -4.233 13.012 0.783 1.00 11.21 C ATOM 167 CD2 LEU A 10 -6.330 14.031 -0.114 1.00 71.43 C ATOM 0 H LEU A 10 -7.284 10.679 1.380 1.00 14.33 H new ATOM 0 HA LEU A 10 -7.928 11.997 -0.995 1.00 41.44 H new ATOM 0 HB2 LEU A 10 -5.327 10.747 -0.035 1.00 2.44 H new ATOM 0 HB3 LEU A 10 -5.449 11.834 -1.404 1.00 2.44 H new ATOM 0 HG LEU A 10 -6.216 12.572 1.437 1.00 24.20 H new ATOM 0 HD11 LEU A 10 -4.119 13.867 1.449 1.00 11.21 H new ATOM 0 HD12 LEU A 10 -3.814 12.124 1.257 1.00 11.21 H new ATOM 0 HD13 LEU A 10 -3.707 13.208 -0.151 1.00 11.21 H new ATOM 0 HD21 LEU A 10 -6.193 14.874 0.563 1.00 71.43 H new ATOM 0 HD22 LEU A 10 -5.848 14.249 -1.067 1.00 71.43 H new ATOM 0 HD23 LEU A 10 -7.395 13.865 -0.276 1.00 71.43 H new ATOM 179 N ILE A 11 -7.001 8.853 -1.360 1.00 74.31 N ATOM 180 CA ILE A 11 -7.029 7.709 -2.263 1.00 44.13 C ATOM 181 C ILE A 11 -8.439 7.484 -2.808 1.00 1.50 C ATOM 182 O ILE A 11 -8.627 7.294 -4.011 1.00 22.01 O ATOM 183 CB ILE A 11 -6.539 6.427 -1.552 1.00 12.32 C ATOM 184 CG1 ILE A 11 -5.122 6.637 -1.012 1.00 5.51 C ATOM 185 CG2 ILE A 11 -6.573 5.237 -2.505 1.00 62.31 C ATOM 186 CD1 ILE A 11 -4.648 5.527 -0.101 1.00 22.42 C ATOM 0 H ILE A 11 -6.666 8.635 -0.422 1.00 74.31 H new ATOM 0 HA ILE A 11 -6.356 7.929 -3.092 1.00 44.13 H new ATOM 0 HB ILE A 11 -7.207 6.215 -0.717 1.00 12.32 H new ATOM 0 HG12 ILE A 11 -4.432 6.726 -1.851 1.00 5.51 H new ATOM 0 HG13 ILE A 11 -5.086 7.581 -0.469 1.00 5.51 H new ATOM 0 HG21 ILE A 11 -6.224 4.345 -1.985 1.00 62.31 H new ATOM 0 HG22 ILE A 11 -7.594 5.079 -2.853 1.00 62.31 H new ATOM 0 HG23 ILE A 11 -5.925 5.436 -3.359 1.00 62.31 H new ATOM 0 HD11 ILE A 11 -3.637 5.745 0.242 1.00 22.42 H new ATOM 0 HD12 ILE A 11 -5.315 5.452 0.758 1.00 22.42 H new ATOM 0 HD13 ILE A 11 -4.651 4.583 -0.646 1.00 22.42 H new ATOM 198 N ASN A 12 -9.424 7.529 -1.920 1.00 51.10 N ATOM 199 CA ASN A 12 -10.819 7.344 -2.308 1.00 74.40 C ATOM 200 C ASN A 12 -11.290 8.468 -3.220 1.00 44.15 C ATOM 201 O ASN A 12 -12.017 8.228 -4.185 1.00 54.24 O ATOM 202 CB ASN A 12 -11.721 7.258 -1.073 1.00 31.54 C ATOM 203 CG ASN A 12 -11.528 5.968 -0.304 1.00 21.25 C ATOM 204 OD1 ASN A 12 -11.165 4.938 -0.876 1.00 44.40 O ATOM 205 ND2 ASN A 12 -11.772 6.009 0.996 1.00 11.03 N ATOM 0 H ASN A 12 -9.283 7.692 -0.923 1.00 51.10 H new ATOM 0 HA ASN A 12 -10.886 6.405 -2.857 1.00 74.40 H new ATOM 0 HB2 ASN A 12 -11.514 8.103 -0.416 1.00 31.54 H new ATOM 0 HB3 ASN A 12 -12.763 7.341 -1.381 1.00 31.54 H new ATOM 0 HD21 ASN A 12 -11.661 5.168 1.562 1.00 11.03 H new ATOM 0 HD22 ASN A 12 -12.071 6.882 1.432 1.00 11.03 H new ATOM 212 N GLN A 13 -10.870 9.690 -2.917 1.00 54.11 N ATOM 213 CA GLN A 13 -11.223 10.845 -3.733 1.00 73.44 C ATOM 214 C GLN A 13 -10.603 10.734 -5.121 1.00 32.34 C ATOM 215 O GLN A 13 -11.302 10.824 -6.131 1.00 13.15 O ATOM 216 CB GLN A 13 -10.764 12.141 -3.062 1.00 60.22 C ATOM 217 CG GLN A 13 -11.468 12.425 -1.746 1.00 14.34 C ATOM 218 CD GLN A 13 -10.985 13.703 -1.088 1.00 12.44 C ATOM 219 OE1 GLN A 13 -11.519 14.782 -1.337 1.00 41.30 O ATOM 220 NE2 GLN A 13 -9.980 13.588 -0.233 1.00 52.22 N ATOM 0 H GLN A 13 -10.284 9.907 -2.111 1.00 54.11 H new ATOM 0 HA GLN A 13 -12.308 10.866 -3.833 1.00 73.44 H new ATOM 0 HB2 GLN A 13 -9.690 12.089 -2.886 1.00 60.22 H new ATOM 0 HB3 GLN A 13 -10.935 12.974 -3.744 1.00 60.22 H new ATOM 0 HG2 GLN A 13 -12.542 12.494 -1.921 1.00 14.34 H new ATOM 0 HG3 GLN A 13 -11.309 11.588 -1.066 1.00 14.34 H new ATOM 0 HE21 GLN A 13 -9.565 12.674 -0.054 1.00 52.22 H new ATOM 0 HE22 GLN A 13 -9.622 14.414 0.247 1.00 52.22 H new ATOM 229 N GLY A 14 -9.297 10.507 -5.160 1.00 5.34 N ATOM 230 CA GLY A 14 -8.590 10.423 -6.422 1.00 61.14 C ATOM 231 C GLY A 14 -7.241 11.109 -6.362 1.00 72.02 C ATOM 232 O GLY A 14 -6.482 11.096 -7.333 1.00 62.35 O ATOM 0 H GLY A 14 -8.712 10.379 -4.334 1.00 5.34 H new ATOM 0 HA2 GLY A 14 -8.453 9.376 -6.692 1.00 61.14 H new ATOM 0 HA3 GLY A 14 -9.194 10.878 -7.207 1.00 61.14 H new ATOM 236 N ASP A 15 -6.942 11.715 -5.220 1.00 65.40 N ATOM 237 CA ASP A 15 -5.676 12.416 -5.036 1.00 63.20 C ATOM 238 C ASP A 15 -4.600 11.437 -4.575 1.00 62.43 C ATOM 239 O ASP A 15 -4.255 11.368 -3.391 1.00 43.04 O ATOM 240 CB ASP A 15 -5.836 13.548 -4.020 1.00 33.40 C ATOM 241 CG ASP A 15 -4.696 14.546 -4.070 1.00 2.24 C ATOM 242 OD1 ASP A 15 -3.604 14.195 -4.561 1.00 40.14 O ATOM 243 OD2 ASP A 15 -4.896 15.694 -3.615 1.00 1.12 O ATOM 0 H ASP A 15 -7.558 11.736 -4.407 1.00 65.40 H new ATOM 0 HA ASP A 15 -5.373 12.849 -5.989 1.00 63.20 H new ATOM 0 HB2 ASP A 15 -6.776 14.067 -4.206 1.00 33.40 H new ATOM 0 HB3 ASP A 15 -5.899 13.125 -3.018 1.00 33.40 H new ATOM 248 N ILE A 16 -4.097 10.660 -5.522 1.00 63.50 N ATOM 249 CA ILE A 16 -3.146 9.602 -5.224 1.00 54.14 C ATOM 250 C ILE A 16 -1.780 10.167 -4.843 1.00 74.00 C ATOM 251 O ILE A 16 -1.157 9.706 -3.886 1.00 75.43 O ATOM 252 CB ILE A 16 -2.989 8.638 -6.419 1.00 45.35 C ATOM 253 CG1 ILE A 16 -4.349 8.049 -6.815 1.00 42.12 C ATOM 254 CG2 ILE A 16 -2.001 7.530 -6.086 1.00 44.45 C ATOM 255 CD1 ILE A 16 -5.033 7.268 -5.710 1.00 21.04 C ATOM 0 H ILE A 16 -4.334 10.744 -6.510 1.00 63.50 H new ATOM 0 HA ILE A 16 -3.545 9.050 -4.373 1.00 54.14 H new ATOM 0 HB ILE A 16 -2.598 9.200 -7.267 1.00 45.35 H new ATOM 0 HG12 ILE A 16 -5.005 8.860 -7.132 1.00 42.12 H new ATOM 0 HG13 ILE A 16 -4.212 7.395 -7.676 1.00 42.12 H new ATOM 0 HG21 ILE A 16 -1.904 6.860 -6.941 1.00 44.45 H new ATOM 0 HG22 ILE A 16 -1.029 7.966 -5.854 1.00 44.45 H new ATOM 0 HG23 ILE A 16 -2.361 6.968 -5.224 1.00 44.45 H new ATOM 0 HD11 ILE A 16 -5.988 6.886 -6.072 1.00 21.04 H new ATOM 0 HD12 ILE A 16 -4.399 6.434 -5.408 1.00 21.04 H new ATOM 0 HD13 ILE A 16 -5.205 7.922 -4.855 1.00 21.04 H new ATOM 267 N GLU A 17 -1.323 11.171 -5.581 1.00 64.51 N ATOM 268 CA GLU A 17 0.011 11.720 -5.361 1.00 61.40 C ATOM 269 C GLU A 17 0.137 12.364 -3.986 1.00 64.01 C ATOM 270 O GLU A 17 1.165 12.210 -3.322 1.00 63.31 O ATOM 271 CB GLU A 17 0.389 12.721 -6.453 1.00 43.45 C ATOM 272 CG GLU A 17 0.509 12.086 -7.828 1.00 31.41 C ATOM 273 CD GLU A 17 1.525 12.786 -8.704 1.00 1.01 C ATOM 274 OE1 GLU A 17 2.715 12.401 -8.659 1.00 25.41 O ATOM 275 OE2 GLU A 17 1.141 13.719 -9.441 1.00 5.31 O ATOM 0 H GLU A 17 -1.850 11.619 -6.331 1.00 64.51 H new ATOM 0 HA GLU A 17 0.708 10.883 -5.406 1.00 61.40 H new ATOM 0 HB2 GLU A 17 -0.361 13.511 -6.489 1.00 43.45 H new ATOM 0 HB3 GLU A 17 1.337 13.192 -6.193 1.00 43.45 H new ATOM 0 HG2 GLU A 17 0.790 11.039 -7.717 1.00 31.41 H new ATOM 0 HG3 GLU A 17 -0.464 12.105 -8.319 1.00 31.41 H new ATOM 282 N ASN A 18 -0.893 13.081 -3.547 1.00 14.12 N ATOM 283 CA ASN A 18 -0.875 13.661 -2.207 1.00 71.54 C ATOM 284 C ASN A 18 -0.931 12.565 -1.156 1.00 3.51 C ATOM 285 O ASN A 18 -0.283 12.660 -0.115 1.00 72.15 O ATOM 286 CB ASN A 18 -2.022 14.649 -1.999 1.00 35.23 C ATOM 287 CG ASN A 18 -1.640 16.072 -2.365 1.00 23.30 C ATOM 288 OD1 ASN A 18 -0.489 16.482 -2.210 1.00 13.21 O ATOM 289 ND2 ASN A 18 -2.596 16.834 -2.864 1.00 63.31 N ATOM 0 H ASN A 18 -1.737 13.272 -4.088 1.00 14.12 H new ATOM 0 HA ASN A 18 0.059 14.212 -2.102 1.00 71.54 H new ATOM 0 HB2 ASN A 18 -2.877 14.340 -2.601 1.00 35.23 H new ATOM 0 HB3 ASN A 18 -2.339 14.618 -0.956 1.00 35.23 H new ATOM 0 HD21 ASN A 18 -2.392 17.796 -3.135 1.00 63.31 H new ATOM 0 HD22 ASN A 18 -3.538 16.461 -2.978 1.00 63.31 H new ATOM 296 N ALA A 19 -1.695 11.516 -1.439 1.00 14.42 N ATOM 297 CA ALA A 19 -1.759 10.360 -0.554 1.00 64.41 C ATOM 298 C ALA A 19 -0.374 9.740 -0.371 1.00 51.22 C ATOM 299 O ALA A 19 0.081 9.538 0.753 1.00 14.53 O ATOM 300 CB ALA A 19 -2.741 9.333 -1.098 1.00 72.42 C ATOM 0 H ALA A 19 -2.278 11.443 -2.273 1.00 14.42 H new ATOM 0 HA ALA A 19 -2.111 10.692 0.423 1.00 64.41 H new ATOM 0 HB1 ALA A 19 -2.779 8.475 -0.427 1.00 72.42 H new ATOM 0 HB2 ALA A 19 -3.732 9.780 -1.171 1.00 72.42 H new ATOM 0 HB3 ALA A 19 -2.416 9.007 -2.086 1.00 72.42 H new ATOM 306 N LEU A 20 0.303 9.475 -1.484 1.00 5.43 N ATOM 307 CA LEU A 20 1.613 8.822 -1.466 1.00 62.33 C ATOM 308 C LEU A 20 2.655 9.647 -0.714 1.00 2.53 C ATOM 309 O LEU A 20 3.366 9.121 0.146 1.00 24.22 O ATOM 310 CB LEU A 20 2.098 8.557 -2.894 1.00 23.31 C ATOM 311 CG LEU A 20 1.252 7.566 -3.696 1.00 73.43 C ATOM 312 CD1 LEU A 20 1.788 7.429 -5.113 1.00 73.51 C ATOM 313 CD2 LEU A 20 1.222 6.210 -3.005 1.00 72.12 C ATOM 0 H LEU A 20 -0.035 9.704 -2.419 1.00 5.43 H new ATOM 0 HA LEU A 20 1.492 7.875 -0.939 1.00 62.33 H new ATOM 0 HB2 LEU A 20 2.127 9.504 -3.432 1.00 23.31 H new ATOM 0 HB3 LEU A 20 3.121 8.184 -2.850 1.00 23.31 H new ATOM 0 HG LEU A 20 0.233 7.949 -3.750 1.00 73.43 H new ATOM 0 HD11 LEU A 20 1.173 6.720 -5.668 1.00 73.51 H new ATOM 0 HD12 LEU A 20 1.759 8.400 -5.608 1.00 73.51 H new ATOM 0 HD13 LEU A 20 2.816 7.069 -5.080 1.00 73.51 H new ATOM 0 HD21 LEU A 20 0.616 5.517 -3.589 1.00 72.12 H new ATOM 0 HD22 LEU A 20 2.237 5.822 -2.921 1.00 72.12 H new ATOM 0 HD23 LEU A 20 0.791 6.318 -2.010 1.00 72.12 H new ATOM 325 N GLN A 21 2.746 10.936 -1.033 1.00 70.34 N ATOM 326 CA GLN A 21 3.752 11.801 -0.422 1.00 30.52 C ATOM 327 C GLN A 21 3.491 11.975 1.075 1.00 14.44 C ATOM 328 O GLN A 21 4.426 12.143 1.863 1.00 12.45 O ATOM 329 CB GLN A 21 3.804 13.163 -1.127 1.00 43.34 C ATOM 330 CG GLN A 21 2.529 13.979 -1.000 1.00 75.10 C ATOM 331 CD GLN A 21 2.536 15.216 -1.873 1.00 3.12 C ATOM 332 OE1 GLN A 21 2.965 16.292 -1.454 1.00 63.42 O ATOM 333 NE2 GLN A 21 2.064 15.064 -3.098 1.00 25.14 N ATOM 0 H GLN A 21 2.139 11.402 -1.707 1.00 70.34 H new ATOM 0 HA GLN A 21 4.723 11.320 -0.541 1.00 30.52 H new ATOM 0 HB2 GLN A 21 4.633 13.740 -0.718 1.00 43.34 H new ATOM 0 HB3 GLN A 21 4.017 13.004 -2.184 1.00 43.34 H new ATOM 0 HG2 GLN A 21 1.676 13.356 -1.267 1.00 75.10 H new ATOM 0 HG3 GLN A 21 2.394 14.275 0.040 1.00 75.10 H new ATOM 0 HE21 GLN A 21 1.719 14.154 -3.402 1.00 25.14 H new ATOM 0 HE22 GLN A 21 2.045 15.857 -3.739 1.00 25.14 H new ATOM 342 N ALA A 22 2.223 11.919 1.465 1.00 21.51 N ATOM 343 CA ALA A 22 1.856 11.996 2.872 1.00 33.41 C ATOM 344 C ALA A 22 2.164 10.679 3.577 1.00 40.12 C ATOM 345 O ALA A 22 2.513 10.662 4.757 1.00 4.42 O ATOM 346 CB ALA A 22 0.384 12.351 3.022 1.00 44.12 C ATOM 0 H ALA A 22 1.433 11.821 0.827 1.00 21.51 H new ATOM 0 HA ALA A 22 2.448 12.783 3.339 1.00 33.41 H new ATOM 0 HB1 ALA A 22 0.128 12.404 4.080 1.00 44.12 H new ATOM 0 HB2 ALA A 22 0.193 13.317 2.554 1.00 44.12 H new ATOM 0 HB3 ALA A 22 -0.226 11.587 2.539 1.00 44.12 H new ATOM 352 N LEU A 23 2.037 9.578 2.842 1.00 54.14 N ATOM 353 CA LEU A 23 2.354 8.253 3.370 1.00 11.12 C ATOM 354 C LEU A 23 3.822 8.146 3.750 1.00 2.54 C ATOM 355 O LEU A 23 4.153 7.742 4.863 1.00 43.55 O ATOM 356 CB LEU A 23 2.004 7.171 2.347 1.00 24.14 C ATOM 357 CG LEU A 23 0.515 6.877 2.208 1.00 50.23 C ATOM 358 CD1 LEU A 23 0.244 6.066 0.953 1.00 41.42 C ATOM 359 CD2 LEU A 23 0.008 6.141 3.437 1.00 11.15 C ATOM 0 H LEU A 23 1.715 9.577 1.874 1.00 54.14 H new ATOM 0 HA LEU A 23 1.755 8.104 4.269 1.00 11.12 H new ATOM 0 HB2 LEU A 23 2.392 7.472 1.374 1.00 24.14 H new ATOM 0 HB3 LEU A 23 2.517 6.250 2.624 1.00 24.14 H new ATOM 0 HG LEU A 23 -0.018 7.824 2.124 1.00 50.23 H new ATOM 0 HD11 LEU A 23 -0.825 5.867 0.872 1.00 41.42 H new ATOM 0 HD12 LEU A 23 0.576 6.626 0.079 1.00 41.42 H new ATOM 0 HD13 LEU A 23 0.786 5.122 1.006 1.00 41.42 H new ATOM 0 HD21 LEU A 23 -1.057 5.937 3.325 1.00 11.15 H new ATOM 0 HD22 LEU A 23 0.548 5.201 3.547 1.00 11.15 H new ATOM 0 HD23 LEU A 23 0.169 6.757 4.322 1.00 11.15 H new ATOM 371 N GLU A 24 4.701 8.518 2.829 1.00 23.41 N ATOM 372 CA GLU A 24 6.133 8.467 3.093 1.00 14.33 C ATOM 373 C GLU A 24 6.520 9.480 4.169 1.00 41.11 C ATOM 374 O GLU A 24 7.473 9.269 4.917 1.00 74.34 O ATOM 375 CB GLU A 24 6.943 8.676 1.809 1.00 73.00 C ATOM 376 CG GLU A 24 6.544 9.900 1.007 1.00 70.43 C ATOM 377 CD GLU A 24 7.386 10.066 -0.240 1.00 43.15 C ATOM 378 OE1 GLU A 24 7.050 9.465 -1.280 1.00 31.12 O ATOM 379 OE2 GLU A 24 8.400 10.790 -0.179 1.00 44.41 O ATOM 0 H GLU A 24 4.451 8.856 1.900 1.00 23.41 H new ATOM 0 HA GLU A 24 6.373 7.472 3.468 1.00 14.33 H new ATOM 0 HB2 GLU A 24 7.999 8.756 2.069 1.00 73.00 H new ATOM 0 HB3 GLU A 24 6.836 7.793 1.179 1.00 73.00 H new ATOM 0 HG2 GLU A 24 5.494 9.822 0.726 1.00 70.43 H new ATOM 0 HG3 GLU A 24 6.642 10.789 1.631 1.00 70.43 H new ATOM 386 N GLU A 25 5.773 10.576 4.246 1.00 22.34 N ATOM 387 CA GLU A 25 5.949 11.549 5.314 1.00 1.04 C ATOM 388 C GLU A 25 5.585 10.926 6.663 1.00 1.20 C ATOM 389 O GLU A 25 6.289 11.109 7.656 1.00 33.31 O ATOM 390 CB GLU A 25 5.078 12.777 5.053 1.00 32.31 C ATOM 391 CG GLU A 25 5.216 13.854 6.108 1.00 33.10 C ATOM 392 CD GLU A 25 4.235 14.990 5.915 1.00 55.33 C ATOM 393 OE1 GLU A 25 4.550 15.931 5.157 1.00 22.35 O ATOM 394 OE2 GLU A 25 3.142 14.949 6.521 1.00 23.35 O ATOM 0 H GLU A 25 5.038 10.812 3.579 1.00 22.34 H new ATOM 0 HA GLU A 25 6.995 11.855 5.340 1.00 1.04 H new ATOM 0 HB2 GLU A 25 5.338 13.197 4.081 1.00 32.31 H new ATOM 0 HB3 GLU A 25 4.035 12.467 4.997 1.00 32.31 H new ATOM 0 HG2 GLU A 25 5.066 13.413 7.093 1.00 33.10 H new ATOM 0 HG3 GLU A 25 6.232 14.249 6.087 1.00 33.10 H new ATOM 401 N PHE A 26 4.487 10.178 6.683 1.00 13.41 N ATOM 402 CA PHE A 26 4.026 9.513 7.895 1.00 1.24 C ATOM 403 C PHE A 26 5.035 8.460 8.348 1.00 73.31 C ATOM 404 O PHE A 26 5.228 8.245 9.548 1.00 2.32 O ATOM 405 CB PHE A 26 2.653 8.873 7.660 1.00 20.11 C ATOM 406 CG PHE A 26 2.027 8.296 8.899 1.00 43.52 C ATOM 407 CD1 PHE A 26 1.302 9.101 9.764 1.00 23.51 C ATOM 408 CD2 PHE A 26 2.170 6.952 9.204 1.00 63.11 C ATOM 409 CE1 PHE A 26 0.726 8.575 10.905 1.00 35.11 C ATOM 410 CE2 PHE A 26 1.598 6.421 10.344 1.00 50.41 C ATOM 411 CZ PHE A 26 0.876 7.234 11.196 1.00 43.11 C ATOM 0 H PHE A 26 3.897 10.017 5.867 1.00 13.41 H new ATOM 0 HA PHE A 26 3.933 10.259 8.684 1.00 1.24 H new ATOM 0 HB2 PHE A 26 1.981 9.622 7.241 1.00 20.11 H new ATOM 0 HB3 PHE A 26 2.754 8.084 6.915 1.00 20.11 H new ATOM 0 HD1 PHE A 26 1.186 10.152 9.544 1.00 23.51 H new ATOM 0 HD2 PHE A 26 2.735 6.312 8.543 1.00 63.11 H new ATOM 0 HE1 PHE A 26 0.159 9.212 11.568 1.00 35.11 H new ATOM 0 HE2 PHE A 26 1.715 5.371 10.569 1.00 50.41 H new ATOM 0 HZ PHE A 26 0.430 6.821 12.088 1.00 43.11 H new ATOM 421 N LEU A 27 5.691 7.822 7.383 1.00 5.42 N ATOM 422 CA LEU A 27 6.720 6.830 7.673 1.00 32.34 C ATOM 423 C LEU A 27 7.833 7.445 8.513 1.00 63.13 C ATOM 424 O LEU A 27 8.443 6.777 9.345 1.00 63.25 O ATOM 425 CB LEU A 27 7.324 6.272 6.377 1.00 63.21 C ATOM 426 CG LEU A 27 6.347 5.587 5.419 1.00 64.14 C ATOM 427 CD1 LEU A 27 7.066 5.157 4.149 1.00 61.14 C ATOM 428 CD2 LEU A 27 5.694 4.387 6.087 1.00 20.23 C ATOM 0 H LEU A 27 5.526 7.976 6.388 1.00 5.42 H new ATOM 0 HA LEU A 27 6.249 6.018 8.227 1.00 32.34 H new ATOM 0 HB2 LEU A 27 7.810 7.090 5.845 1.00 63.21 H new ATOM 0 HB3 LEU A 27 8.103 5.557 6.642 1.00 63.21 H new ATOM 0 HG LEU A 27 5.567 6.301 5.155 1.00 64.14 H new ATOM 0 HD11 LEU A 27 6.358 4.671 3.477 1.00 61.14 H new ATOM 0 HD12 LEU A 27 7.491 6.032 3.657 1.00 61.14 H new ATOM 0 HD13 LEU A 27 7.864 4.459 4.401 1.00 61.14 H new ATOM 0 HD21 LEU A 27 5.003 3.914 5.390 1.00 20.23 H new ATOM 0 HD22 LEU A 27 6.462 3.671 6.379 1.00 20.23 H new ATOM 0 HD23 LEU A 27 5.148 4.715 6.972 1.00 20.23 H new ATOM 440 N GLN A 28 8.085 8.727 8.294 1.00 61.02 N ATOM 441 CA GLN A 28 9.170 9.424 8.969 1.00 43.45 C ATOM 442 C GLN A 28 8.832 9.685 10.434 1.00 21.14 C ATOM 443 O GLN A 28 9.715 9.667 11.296 1.00 21.52 O ATOM 444 CB GLN A 28 9.463 10.750 8.266 1.00 55.11 C ATOM 445 CG GLN A 28 9.826 10.596 6.800 1.00 14.32 C ATOM 446 CD GLN A 28 10.035 11.927 6.111 1.00 70.42 C ATOM 447 OE1 GLN A 28 9.426 12.934 6.474 1.00 74.53 O ATOM 448 NE2 GLN A 28 10.898 11.944 5.109 1.00 3.12 N ATOM 0 H GLN A 28 7.549 9.309 7.650 1.00 61.02 H new ATOM 0 HA GLN A 28 10.053 8.787 8.927 1.00 43.45 H new ATOM 0 HB2 GLN A 28 8.589 11.396 8.349 1.00 55.11 H new ATOM 0 HB3 GLN A 28 10.281 11.252 8.783 1.00 55.11 H new ATOM 0 HG2 GLN A 28 10.735 10.000 6.715 1.00 14.32 H new ATOM 0 HG3 GLN A 28 9.035 10.046 6.289 1.00 14.32 H new ATOM 0 HE21 GLN A 28 11.383 11.088 4.839 1.00 3.12 H new ATOM 0 HE22 GLN A 28 11.079 12.813 4.607 1.00 3.12 H new ATOM 457 N THR A 29 7.555 9.915 10.719 1.00 50.42 N ATOM 458 CA THR A 29 7.143 10.294 12.064 1.00 11.50 C ATOM 459 C THR A 29 6.677 9.087 12.885 1.00 23.41 C ATOM 460 O THR A 29 6.817 9.074 14.109 1.00 12.03 O ATOM 461 CB THR A 29 6.039 11.381 12.032 1.00 32.13 C ATOM 462 OG1 THR A 29 5.716 11.804 13.363 1.00 43.42 O ATOM 463 CG2 THR A 29 4.779 10.885 11.335 1.00 71.34 C ATOM 0 H THR A 29 6.794 9.846 10.043 1.00 50.42 H new ATOM 0 HA THR A 29 8.024 10.710 12.554 1.00 11.50 H new ATOM 0 HB THR A 29 6.431 12.225 11.465 1.00 32.13 H new ATOM 0 HG1 THR A 29 5.019 12.492 13.328 1.00 43.42 H new ATOM 0 HG21 THR A 29 4.029 11.676 11.333 1.00 71.34 H new ATOM 0 HG22 THR A 29 5.016 10.608 10.308 1.00 71.34 H new ATOM 0 HG23 THR A 29 4.389 10.016 11.864 1.00 71.34 H new ATOM 471 N GLU A 30 6.143 8.071 12.213 1.00 61.44 N ATOM 472 CA GLU A 30 5.626 6.891 12.899 1.00 60.21 C ATOM 473 C GLU A 30 6.271 5.609 12.376 1.00 61.34 C ATOM 474 O GLU A 30 5.816 5.027 11.391 1.00 0.40 O ATOM 475 CB GLU A 30 4.105 6.804 12.740 1.00 13.51 C ATOM 476 CG GLU A 30 3.336 7.831 13.555 1.00 13.35 C ATOM 477 CD GLU A 30 3.362 7.533 15.038 1.00 40.52 C ATOM 478 OE1 GLU A 30 4.323 7.947 15.714 1.00 60.04 O ATOM 479 OE2 GLU A 30 2.414 6.889 15.537 1.00 22.02 O ATOM 0 H GLU A 30 6.057 8.041 11.197 1.00 61.44 H new ATOM 0 HA GLU A 30 5.876 6.992 13.955 1.00 60.21 H new ATOM 0 HB2 GLU A 30 3.853 6.929 11.687 1.00 13.51 H new ATOM 0 HB3 GLU A 30 3.777 5.806 13.030 1.00 13.51 H new ATOM 0 HG2 GLU A 30 3.759 8.820 13.379 1.00 13.35 H new ATOM 0 HG3 GLU A 30 2.302 7.861 13.212 1.00 13.35 H new ATOM 486 N PRO A 31 7.350 5.157 13.031 1.00 2.15 N ATOM 487 CA PRO A 31 8.001 3.882 12.713 1.00 44.00 C ATOM 488 C PRO A 31 7.108 2.686 13.034 1.00 53.41 C ATOM 489 O PRO A 31 7.352 1.570 12.581 1.00 43.21 O ATOM 490 CB PRO A 31 9.249 3.880 13.600 1.00 31.44 C ATOM 491 CG PRO A 31 8.933 4.822 14.710 1.00 14.22 C ATOM 492 CD PRO A 31 8.045 5.873 14.111 1.00 21.35 C ATOM 0 HA PRO A 31 8.227 3.793 11.650 1.00 44.00 H new ATOM 0 HB2 PRO A 31 9.463 2.881 13.979 1.00 31.44 H new ATOM 0 HB3 PRO A 31 10.129 4.205 13.045 1.00 31.44 H new ATOM 0 HG2 PRO A 31 8.432 4.307 15.530 1.00 14.22 H new ATOM 0 HG3 PRO A 31 9.842 5.264 15.119 1.00 14.22 H new ATOM 0 HD2 PRO A 31 7.344 6.272 14.844 1.00 21.35 H new ATOM 0 HD3 PRO A 31 8.621 6.716 13.729 1.00 21.35 H new ATOM 500 N VAL A 32 6.065 2.931 13.811 1.00 42.43 N ATOM 501 CA VAL A 32 5.120 1.886 14.170 1.00 75.00 C ATOM 502 C VAL A 32 3.868 1.971 13.293 1.00 32.12 C ATOM 503 O VAL A 32 3.022 1.079 13.304 1.00 72.40 O ATOM 504 CB VAL A 32 4.730 1.982 15.663 1.00 60.52 C ATOM 505 CG1 VAL A 32 3.880 3.217 15.927 1.00 35.41 C ATOM 506 CG2 VAL A 32 4.018 0.722 16.126 1.00 12.33 C ATOM 0 H VAL A 32 5.851 3.847 14.206 1.00 42.43 H new ATOM 0 HA VAL A 32 5.603 0.924 14.002 1.00 75.00 H new ATOM 0 HB VAL A 32 5.649 2.077 16.241 1.00 60.52 H new ATOM 0 HG11 VAL A 32 3.620 3.260 16.985 1.00 35.41 H new ATOM 0 HG12 VAL A 32 4.442 4.110 15.655 1.00 35.41 H new ATOM 0 HG13 VAL A 32 2.969 3.166 15.331 1.00 35.41 H new ATOM 0 HG21 VAL A 32 3.756 0.818 17.180 1.00 12.33 H new ATOM 0 HG22 VAL A 32 3.111 0.580 15.538 1.00 12.33 H new ATOM 0 HG23 VAL A 32 4.675 -0.137 15.993 1.00 12.33 H new ATOM 516 N GLY A 33 3.772 3.041 12.514 1.00 74.42 N ATOM 517 CA GLY A 33 2.619 3.241 11.660 1.00 75.01 C ATOM 518 C GLY A 33 2.940 2.920 10.220 1.00 74.21 C ATOM 519 O GLY A 33 2.182 3.250 9.308 1.00 2.04 O ATOM 0 H GLY A 33 4.476 3.777 12.459 1.00 74.42 H new ATOM 0 HA2 GLY A 33 1.798 2.611 12.001 1.00 75.01 H new ATOM 0 HA3 GLY A 33 2.281 4.274 11.738 1.00 75.01 H new ATOM 523 N LYS A 34 4.078 2.271 10.025 1.00 30.21 N ATOM 524 CA LYS A 34 4.535 1.893 8.698 1.00 50.50 C ATOM 525 C LYS A 34 3.541 0.937 8.044 1.00 55.11 C ATOM 526 O LYS A 34 3.303 1.004 6.841 1.00 64.50 O ATOM 527 CB LYS A 34 5.901 1.207 8.773 1.00 44.11 C ATOM 528 CG LYS A 34 6.968 1.969 9.545 1.00 41.01 C ATOM 529 CD LYS A 34 7.411 3.225 8.825 1.00 33.52 C ATOM 530 CE LYS A 34 8.695 3.771 9.426 1.00 35.12 C ATOM 531 NZ LYS A 34 9.869 2.915 9.111 1.00 15.44 N ATOM 0 H LYS A 34 4.707 1.993 10.778 1.00 30.21 H new ATOM 0 HA LYS A 34 4.617 2.802 8.102 1.00 50.50 H new ATOM 0 HB2 LYS A 34 5.773 0.227 9.233 1.00 44.11 H new ATOM 0 HB3 LYS A 34 6.261 1.038 7.758 1.00 44.11 H new ATOM 0 HG2 LYS A 34 6.582 2.234 10.529 1.00 41.01 H new ATOM 0 HG3 LYS A 34 7.830 1.321 9.705 1.00 41.01 H new ATOM 0 HD2 LYS A 34 7.563 3.008 7.768 1.00 33.52 H new ATOM 0 HD3 LYS A 34 6.627 3.980 8.886 1.00 33.52 H new ATOM 0 HE2 LYS A 34 8.871 4.779 9.050 1.00 35.12 H new ATOM 0 HE3 LYS A 34 8.584 3.849 10.507 1.00 35.12 H new ATOM 0 HZ1 LYS A 34 10.744 3.456 9.264 1.00 15.44 H new ATOM 0 HZ2 LYS A 34 9.866 2.080 9.730 1.00 15.44 H new ATOM 0 HZ3 LYS A 34 9.820 2.610 8.118 1.00 15.44 H new ATOM 545 N ASP A 35 2.952 0.064 8.858 1.00 1.14 N ATOM 546 CA ASP A 35 2.085 -1.000 8.362 1.00 23.43 C ATOM 547 C ASP A 35 0.860 -0.439 7.646 1.00 31.21 C ATOM 548 O ASP A 35 0.508 -0.896 6.557 1.00 21.22 O ATOM 549 CB ASP A 35 1.654 -1.921 9.513 1.00 51.44 C ATOM 550 CG ASP A 35 0.776 -1.224 10.535 1.00 54.21 C ATOM 551 OD1 ASP A 35 1.241 -0.250 11.160 1.00 22.14 O ATOM 552 OD2 ASP A 35 -0.389 -1.637 10.703 1.00 0.42 O ATOM 0 H ASP A 35 3.061 0.074 9.872 1.00 1.14 H new ATOM 0 HA ASP A 35 2.657 -1.581 7.638 1.00 23.43 H new ATOM 0 HB2 ASP A 35 1.117 -2.777 9.104 1.00 51.44 H new ATOM 0 HB3 ASP A 35 2.542 -2.311 10.011 1.00 51.44 H new ATOM 557 N GLU A 36 0.225 0.561 8.243 1.00 33.00 N ATOM 558 CA GLU A 36 -0.967 1.150 7.652 1.00 71.25 C ATOM 559 C GLU A 36 -0.583 1.997 6.448 1.00 4.24 C ATOM 560 O GLU A 36 -1.291 2.026 5.440 1.00 11.41 O ATOM 561 CB GLU A 36 -1.726 1.994 8.680 1.00 15.32 C ATOM 562 CG GLU A 36 -3.055 2.546 8.175 1.00 42.25 C ATOM 563 CD GLU A 36 -4.073 1.465 7.866 1.00 10.32 C ATOM 564 OE1 GLU A 36 -3.810 0.280 8.168 1.00 63.14 O ATOM 565 OE2 GLU A 36 -5.155 1.799 7.328 1.00 31.20 O ATOM 0 H GLU A 36 0.513 0.978 9.128 1.00 33.00 H new ATOM 0 HA GLU A 36 -1.626 0.346 7.325 1.00 71.25 H new ATOM 0 HB2 GLU A 36 -1.910 1.388 9.567 1.00 15.32 H new ATOM 0 HB3 GLU A 36 -1.093 2.826 8.989 1.00 15.32 H new ATOM 0 HG2 GLU A 36 -3.468 3.222 8.924 1.00 42.25 H new ATOM 0 HG3 GLU A 36 -2.878 3.136 7.276 1.00 42.25 H new ATOM 572 N ALA A 37 0.564 2.659 6.548 1.00 13.22 N ATOM 573 CA ALA A 37 1.049 3.507 5.471 1.00 10.32 C ATOM 574 C ALA A 37 1.349 2.682 4.223 1.00 71.01 C ATOM 575 O ALA A 37 0.921 3.029 3.123 1.00 45.42 O ATOM 576 CB ALA A 37 2.280 4.277 5.916 1.00 75.24 C ATOM 0 H ALA A 37 1.174 2.623 7.365 1.00 13.22 H new ATOM 0 HA ALA A 37 0.267 4.223 5.220 1.00 10.32 H new ATOM 0 HB1 ALA A 37 2.630 4.907 5.098 1.00 75.24 H new ATOM 0 HB2 ALA A 37 2.028 4.902 6.773 1.00 75.24 H new ATOM 0 HB3 ALA A 37 3.066 3.576 6.196 1.00 75.24 H new ATOM 582 N TYR A 38 2.072 1.582 4.402 1.00 64.24 N ATOM 583 CA TYR A 38 2.401 0.696 3.291 1.00 53.41 C ATOM 584 C TYR A 38 1.144 0.041 2.721 1.00 15.33 C ATOM 585 O TYR A 38 1.052 -0.201 1.516 1.00 24.22 O ATOM 586 CB TYR A 38 3.405 -0.371 3.728 1.00 32.14 C ATOM 587 CG TYR A 38 4.832 0.125 3.765 1.00 64.04 C ATOM 588 CD1 TYR A 38 5.483 0.472 2.592 1.00 1.33 C ATOM 589 CD2 TYR A 38 5.528 0.242 4.961 1.00 11.12 C ATOM 590 CE1 TYR A 38 6.787 0.922 2.604 1.00 73.42 C ATOM 591 CE2 TYR A 38 6.836 0.690 4.983 1.00 44.53 C ATOM 592 CZ TYR A 38 7.461 1.031 3.803 1.00 12.11 C ATOM 593 OH TYR A 38 8.770 1.468 3.821 1.00 41.02 O ATOM 0 H TYR A 38 2.441 1.283 5.305 1.00 64.24 H new ATOM 0 HA TYR A 38 2.857 1.300 2.506 1.00 53.41 H new ATOM 0 HB2 TYR A 38 3.129 -0.735 4.718 1.00 32.14 H new ATOM 0 HB3 TYR A 38 3.341 -1.220 3.047 1.00 32.14 H new ATOM 0 HD1 TYR A 38 4.960 0.389 1.651 1.00 1.33 H new ATOM 0 HD2 TYR A 38 5.040 -0.021 5.888 1.00 11.12 H new ATOM 0 HE1 TYR A 38 7.278 1.188 1.679 1.00 73.42 H new ATOM 0 HE2 TYR A 38 7.365 0.772 5.921 1.00 44.53 H new ATOM 0 HH TYR A 38 9.095 1.488 4.745 1.00 41.02 H new ATOM 603 N TYR A 39 0.174 -0.229 3.587 1.00 11.12 N ATOM 604 CA TYR A 39 -1.104 -0.774 3.153 1.00 75.12 C ATOM 605 C TYR A 39 -1.815 0.217 2.237 1.00 75.10 C ATOM 606 O TYR A 39 -2.304 -0.148 1.164 1.00 35.31 O ATOM 607 CB TYR A 39 -1.984 -1.105 4.365 1.00 0.33 C ATOM 608 CG TYR A 39 -3.372 -1.581 3.997 1.00 64.14 C ATOM 609 CD1 TYR A 39 -3.582 -2.866 3.513 1.00 52.04 C ATOM 610 CD2 TYR A 39 -4.471 -0.740 4.128 1.00 5.24 C ATOM 611 CE1 TYR A 39 -4.848 -3.300 3.166 1.00 14.44 C ATOM 612 CE2 TYR A 39 -5.740 -1.168 3.789 1.00 44.41 C ATOM 613 CZ TYR A 39 -5.924 -2.447 3.309 1.00 21.02 C ATOM 614 OH TYR A 39 -7.186 -2.870 2.957 1.00 3.25 O ATOM 0 H TYR A 39 0.249 -0.079 4.593 1.00 11.12 H new ATOM 0 HA TYR A 39 -0.920 -1.694 2.598 1.00 75.12 H new ATOM 0 HB2 TYR A 39 -1.492 -1.874 4.961 1.00 0.33 H new ATOM 0 HB3 TYR A 39 -2.068 -0.219 4.994 1.00 0.33 H new ATOM 0 HD1 TYR A 39 -2.743 -3.537 3.406 1.00 52.04 H new ATOM 0 HD2 TYR A 39 -4.331 0.264 4.501 1.00 5.24 H new ATOM 0 HE1 TYR A 39 -4.994 -4.300 2.785 1.00 14.44 H new ATOM 0 HE2 TYR A 39 -6.584 -0.503 3.900 1.00 44.41 H new ATOM 0 HH TYR A 39 -7.830 -2.150 3.120 1.00 3.25 H new ATOM 624 N LEU A 40 -1.857 1.475 2.659 1.00 23.44 N ATOM 625 CA LEU A 40 -2.488 2.528 1.874 1.00 64.31 C ATOM 626 C LEU A 40 -1.715 2.776 0.585 1.00 23.32 C ATOM 627 O LEU A 40 -2.307 3.046 -0.458 1.00 64.25 O ATOM 628 CB LEU A 40 -2.587 3.816 2.692 1.00 60.02 C ATOM 629 CG LEU A 40 -3.433 3.709 3.962 1.00 33.14 C ATOM 630 CD1 LEU A 40 -3.471 5.041 4.693 1.00 72.01 C ATOM 631 CD2 LEU A 40 -4.840 3.238 3.624 1.00 41.20 C ATOM 0 H LEU A 40 -1.460 1.791 3.544 1.00 23.44 H new ATOM 0 HA LEU A 40 -3.495 2.203 1.612 1.00 64.31 H new ATOM 0 HB2 LEU A 40 -1.581 4.132 2.969 1.00 60.02 H new ATOM 0 HB3 LEU A 40 -3.005 4.600 2.060 1.00 60.02 H new ATOM 0 HG LEU A 40 -2.975 2.973 4.622 1.00 33.14 H new ATOM 0 HD11 LEU A 40 -4.078 4.945 5.594 1.00 72.01 H new ATOM 0 HD12 LEU A 40 -2.458 5.334 4.968 1.00 72.01 H new ATOM 0 HD13 LEU A 40 -3.905 5.801 4.043 1.00 72.01 H new ATOM 0 HD21 LEU A 40 -5.429 3.167 4.538 1.00 41.20 H new ATOM 0 HD22 LEU A 40 -5.309 3.950 2.945 1.00 41.20 H new ATOM 0 HD23 LEU A 40 -4.791 2.259 3.147 1.00 41.20 H new ATOM 643 N MET A 41 -0.392 2.673 0.666 1.00 73.05 N ATOM 644 CA MET A 41 0.466 2.766 -0.513 1.00 30.15 C ATOM 645 C MET A 41 0.020 1.767 -1.570 1.00 2.21 C ATOM 646 O MET A 41 -0.250 2.132 -2.717 1.00 62.40 O ATOM 647 CB MET A 41 1.913 2.460 -0.141 1.00 65.55 C ATOM 648 CG MET A 41 2.644 3.564 0.592 1.00 13.33 C ATOM 649 SD MET A 41 3.507 4.690 -0.518 1.00 71.00 S ATOM 650 CE MET A 41 4.703 5.392 0.614 1.00 55.23 C ATOM 0 H MET A 41 0.112 2.524 1.540 1.00 73.05 H new ATOM 0 HA MET A 41 0.391 3.780 -0.905 1.00 30.15 H new ATOM 0 HB2 MET A 41 1.929 1.564 0.479 1.00 65.55 H new ATOM 0 HB3 MET A 41 2.463 2.227 -1.053 1.00 65.55 H new ATOM 0 HG2 MET A 41 1.931 4.129 1.192 1.00 13.33 H new ATOM 0 HG3 MET A 41 3.362 3.121 1.283 1.00 13.33 H new ATOM 0 HE1 MET A 41 4.782 6.465 0.441 1.00 55.23 H new ATOM 0 HE2 MET A 41 4.382 5.213 1.640 1.00 55.23 H new ATOM 0 HE3 MET A 41 5.675 4.926 0.452 1.00 55.23 H new ATOM 660 N GLY A 42 -0.078 0.506 -1.160 1.00 23.11 N ATOM 661 CA GLY A 42 -0.474 -0.548 -2.070 1.00 62.12 C ATOM 662 C GLY A 42 -1.856 -0.326 -2.646 1.00 3.54 C ATOM 663 O GLY A 42 -2.123 -0.697 -3.785 1.00 4.54 O ATOM 0 H GLY A 42 0.112 0.196 -0.207 1.00 23.11 H new ATOM 0 HA2 GLY A 42 0.249 -0.613 -2.883 1.00 62.12 H new ATOM 0 HA3 GLY A 42 -0.451 -1.504 -1.546 1.00 62.12 H new ATOM 667 N ASN A 43 -2.738 0.273 -1.859 1.00 71.42 N ATOM 668 CA ASN A 43 -4.084 0.585 -2.323 1.00 52.41 C ATOM 669 C ASN A 43 -4.048 1.686 -3.373 1.00 33.24 C ATOM 670 O ASN A 43 -4.719 1.597 -4.402 1.00 24.14 O ATOM 671 CB ASN A 43 -4.977 1.005 -1.153 1.00 11.23 C ATOM 672 CG ASN A 43 -5.621 -0.176 -0.453 1.00 41.52 C ATOM 673 OD1 ASN A 43 -6.722 -0.593 -0.808 1.00 33.55 O ATOM 674 ND2 ASN A 43 -4.942 -0.727 0.539 1.00 53.44 N ATOM 0 H ASN A 43 -2.547 0.553 -0.897 1.00 71.42 H new ATOM 0 HA ASN A 43 -4.502 -0.315 -2.774 1.00 52.41 H new ATOM 0 HB2 ASN A 43 -4.384 1.569 -0.433 1.00 11.23 H new ATOM 0 HB3 ASN A 43 -5.756 1.674 -1.518 1.00 11.23 H new ATOM 0 HD21 ASN A 43 -5.329 -1.527 1.039 1.00 53.44 H new ATOM 0 HD22 ASN A 43 -4.031 -0.352 0.804 1.00 53.44 H new ATOM 681 N ALA A 44 -3.248 2.716 -3.114 1.00 21.45 N ATOM 682 CA ALA A 44 -3.109 3.832 -4.040 1.00 22.35 C ATOM 683 C ALA A 44 -2.538 3.369 -5.376 1.00 23.13 C ATOM 684 O ALA A 44 -3.082 3.682 -6.435 1.00 32.13 O ATOM 685 CB ALA A 44 -2.232 4.918 -3.435 1.00 63.53 C ATOM 0 H ALA A 44 -2.685 2.800 -2.267 1.00 21.45 H new ATOM 0 HA ALA A 44 -4.101 4.245 -4.222 1.00 22.35 H new ATOM 0 HB1 ALA A 44 -2.138 5.744 -4.139 1.00 63.53 H new ATOM 0 HB2 ALA A 44 -2.684 5.278 -2.511 1.00 63.53 H new ATOM 0 HB3 ALA A 44 -1.244 4.510 -3.220 1.00 63.53 H new ATOM 691 N TYR A 45 -1.445 2.614 -5.322 1.00 72.35 N ATOM 692 CA TYR A 45 -0.834 2.079 -6.534 1.00 3.02 C ATOM 693 C TYR A 45 -1.780 1.122 -7.252 1.00 5.13 C ATOM 694 O TYR A 45 -1.844 1.110 -8.484 1.00 55.33 O ATOM 695 CB TYR A 45 0.485 1.373 -6.216 1.00 74.22 C ATOM 696 CG TYR A 45 1.607 2.320 -5.870 1.00 23.44 C ATOM 697 CD1 TYR A 45 2.200 3.103 -6.849 1.00 14.31 C ATOM 698 CD2 TYR A 45 2.076 2.428 -4.569 1.00 11.44 C ATOM 699 CE1 TYR A 45 3.227 3.970 -6.541 1.00 3.34 C ATOM 700 CE2 TYR A 45 3.102 3.292 -4.252 1.00 54.43 C ATOM 701 CZ TYR A 45 3.675 4.060 -5.242 1.00 21.22 C ATOM 702 OH TYR A 45 4.701 4.921 -4.933 1.00 65.13 O ATOM 0 H TYR A 45 -0.967 2.360 -4.458 1.00 72.35 H new ATOM 0 HA TYR A 45 -0.628 2.920 -7.196 1.00 3.02 H new ATOM 0 HB2 TYR A 45 0.329 0.687 -5.383 1.00 74.22 H new ATOM 0 HB3 TYR A 45 0.781 0.770 -7.074 1.00 74.22 H new ATOM 0 HD1 TYR A 45 1.852 3.033 -7.869 1.00 14.31 H new ATOM 0 HD2 TYR A 45 1.630 1.825 -3.792 1.00 11.44 H new ATOM 0 HE1 TYR A 45 3.677 4.575 -7.314 1.00 3.34 H new ATOM 0 HE2 TYR A 45 3.455 3.367 -3.234 1.00 54.43 H new ATOM 0 HH TYR A 45 4.897 4.866 -3.974 1.00 65.13 H new ATOM 712 N ARG A 46 -2.529 0.338 -6.479 1.00 43.42 N ATOM 713 CA ARG A 46 -3.491 -0.598 -7.048 1.00 42.13 C ATOM 714 C ARG A 46 -4.555 0.155 -7.836 1.00 64.51 C ATOM 715 O ARG A 46 -4.938 -0.258 -8.931 1.00 30.51 O ATOM 716 CB ARG A 46 -4.163 -1.432 -5.953 1.00 23.34 C ATOM 717 CG ARG A 46 -4.983 -2.586 -6.500 1.00 55.34 C ATOM 718 CD ARG A 46 -5.883 -3.203 -5.441 1.00 64.45 C ATOM 719 NE ARG A 46 -6.980 -2.315 -5.053 1.00 21.44 N ATOM 720 CZ ARG A 46 -8.128 -2.206 -5.731 1.00 2.14 C ATOM 721 NH1 ARG A 46 -8.313 -2.885 -6.859 1.00 15.15 N ATOM 722 NH2 ARG A 46 -9.098 -1.425 -5.276 1.00 74.11 N ATOM 0 H ARG A 46 -2.487 0.334 -5.460 1.00 43.42 H new ATOM 0 HA ARG A 46 -2.950 -1.269 -7.715 1.00 42.13 H new ATOM 0 HB2 ARG A 46 -3.398 -1.824 -5.283 1.00 23.34 H new ATOM 0 HB3 ARG A 46 -4.808 -0.786 -5.358 1.00 23.34 H new ATOM 0 HG2 ARG A 46 -5.592 -2.234 -7.332 1.00 55.34 H new ATOM 0 HG3 ARG A 46 -4.314 -3.350 -6.896 1.00 55.34 H new ATOM 0 HD2 ARG A 46 -6.294 -4.140 -5.818 1.00 64.45 H new ATOM 0 HD3 ARG A 46 -5.289 -3.447 -4.561 1.00 64.45 H new ATOM 0 HE ARG A 46 -6.862 -1.745 -4.215 1.00 21.44 H new ATOM 0 HH11 ARG A 46 -7.576 -3.495 -7.214 1.00 15.15 H new ATOM 0 HH12 ARG A 46 -9.191 -2.796 -7.370 1.00 15.15 H new ATOM 0 HH21 ARG A 46 -8.970 -0.906 -4.407 1.00 74.11 H new ATOM 0 HH22 ARG A 46 -9.973 -1.343 -5.795 1.00 74.11 H new ATOM 736 N LYS A 47 -5.026 1.261 -7.268 1.00 64.13 N ATOM 737 CA LYS A 47 -6.026 2.088 -7.905 1.00 61.10 C ATOM 738 C LYS A 47 -5.472 2.734 -9.174 1.00 54.24 C ATOM 739 O LYS A 47 -6.198 2.938 -10.146 1.00 24.14 O ATOM 740 CB LYS A 47 -6.486 3.165 -6.933 1.00 44.53 C ATOM 741 CG LYS A 47 -7.847 3.714 -7.271 1.00 5.40 C ATOM 742 CD LYS A 47 -8.158 4.960 -6.475 1.00 73.14 C ATOM 743 CE LYS A 47 -9.593 5.372 -6.691 1.00 21.51 C ATOM 744 NZ LYS A 47 -9.797 6.815 -6.411 1.00 54.32 N ATOM 0 H LYS A 47 -4.722 1.602 -6.356 1.00 64.13 H new ATOM 0 HA LYS A 47 -6.872 1.460 -8.185 1.00 61.10 H new ATOM 0 HB2 LYS A 47 -6.506 2.753 -5.924 1.00 44.53 H new ATOM 0 HB3 LYS A 47 -5.761 3.979 -6.930 1.00 44.53 H new ATOM 0 HG2 LYS A 47 -7.894 3.941 -8.336 1.00 5.40 H new ATOM 0 HG3 LYS A 47 -8.605 2.956 -7.073 1.00 5.40 H new ATOM 0 HD2 LYS A 47 -7.980 4.777 -5.415 1.00 73.14 H new ATOM 0 HD3 LYS A 47 -7.491 5.768 -6.775 1.00 73.14 H new ATOM 0 HE2 LYS A 47 -9.883 5.156 -7.719 1.00 21.51 H new ATOM 0 HE3 LYS A 47 -10.243 4.781 -6.046 1.00 21.51 H new ATOM 0 HZ1 LYS A 47 -10.814 7.030 -6.421 1.00 54.32 H new ATOM 0 HZ2 LYS A 47 -9.403 7.046 -5.477 1.00 54.32 H new ATOM 0 HZ3 LYS A 47 -9.317 7.381 -7.139 1.00 54.32 H new ATOM 758 N LEU A 48 -4.183 3.065 -9.154 1.00 61.21 N ATOM 759 CA LEU A 48 -3.517 3.605 -10.335 1.00 55.21 C ATOM 760 C LEU A 48 -3.480 2.564 -11.445 1.00 45.12 C ATOM 761 O LEU A 48 -3.650 2.882 -12.623 1.00 65.21 O ATOM 762 CB LEU A 48 -2.090 4.056 -10.002 1.00 3.21 C ATOM 763 CG LEU A 48 -1.984 5.273 -9.085 1.00 41.13 C ATOM 764 CD1 LEU A 48 -0.528 5.566 -8.761 1.00 5.43 C ATOM 765 CD2 LEU A 48 -2.643 6.483 -9.730 1.00 50.00 C ATOM 0 H LEU A 48 -3.581 2.969 -8.336 1.00 61.21 H new ATOM 0 HA LEU A 48 -4.086 4.471 -10.674 1.00 55.21 H new ATOM 0 HB2 LEU A 48 -1.564 3.224 -9.535 1.00 3.21 H new ATOM 0 HB3 LEU A 48 -1.571 4.278 -10.934 1.00 3.21 H new ATOM 0 HG LEU A 48 -2.507 5.053 -8.154 1.00 41.13 H new ATOM 0 HD11 LEU A 48 -0.469 6.436 -8.107 1.00 5.43 H new ATOM 0 HD12 LEU A 48 -0.086 4.705 -8.260 1.00 5.43 H new ATOM 0 HD13 LEU A 48 0.016 5.768 -9.683 1.00 5.43 H new ATOM 0 HD21 LEU A 48 -2.559 7.342 -9.064 1.00 50.00 H new ATOM 0 HD22 LEU A 48 -2.147 6.707 -10.675 1.00 50.00 H new ATOM 0 HD23 LEU A 48 -3.696 6.269 -9.914 1.00 50.00 H new ATOM 777 N GLY A 49 -3.266 1.316 -11.058 1.00 23.41 N ATOM 778 CA GLY A 49 -3.211 0.239 -12.024 1.00 13.53 C ATOM 779 C GLY A 49 -1.876 -0.472 -12.011 1.00 20.35 C ATOM 780 O GLY A 49 -1.619 -1.335 -12.851 1.00 32.41 O ATOM 0 H GLY A 49 -3.129 1.029 -10.089 1.00 23.41 H new ATOM 0 HA2 GLY A 49 -4.005 -0.478 -11.812 1.00 13.53 H new ATOM 0 HA3 GLY A 49 -3.399 0.637 -13.021 1.00 13.53 H new ATOM 784 N ASP A 50 -1.026 -0.111 -11.062 1.00 3.24 N ATOM 785 CA ASP A 50 0.285 -0.735 -10.940 1.00 60.32 C ATOM 786 C ASP A 50 0.248 -1.806 -9.862 1.00 51.00 C ATOM 787 O ASP A 50 -0.301 -1.591 -8.781 1.00 13.51 O ATOM 788 CB ASP A 50 1.361 0.306 -10.613 1.00 44.21 C ATOM 789 CG ASP A 50 2.750 -0.301 -10.574 1.00 63.51 C ATOM 790 OD1 ASP A 50 3.417 -0.349 -11.629 1.00 35.50 O ATOM 791 OD2 ASP A 50 3.179 -0.743 -9.496 1.00 2.42 O ATOM 0 H ASP A 50 -1.219 0.609 -10.366 1.00 3.24 H new ATOM 0 HA ASP A 50 0.538 -1.194 -11.896 1.00 60.32 H new ATOM 0 HB2 ASP A 50 1.334 1.101 -11.359 1.00 44.21 H new ATOM 0 HB3 ASP A 50 1.139 0.765 -9.650 1.00 44.21 H new ATOM 796 N TRP A 51 0.819 -2.960 -10.159 1.00 42.23 N ATOM 797 CA TRP A 51 0.780 -4.079 -9.234 1.00 74.40 C ATOM 798 C TRP A 51 2.137 -4.281 -8.572 1.00 32.43 C ATOM 799 O TRP A 51 2.220 -4.760 -7.441 1.00 1.20 O ATOM 800 CB TRP A 51 0.361 -5.356 -9.962 1.00 33.34 C ATOM 801 CG TRP A 51 -0.927 -5.223 -10.718 1.00 21.20 C ATOM 802 CD1 TRP A 51 -1.068 -5.024 -12.060 1.00 0.12 C ATOM 803 CD2 TRP A 51 -2.253 -5.273 -10.179 1.00 11.31 C ATOM 804 NE1 TRP A 51 -2.399 -4.961 -12.392 1.00 21.23 N ATOM 805 CE2 TRP A 51 -3.147 -5.105 -11.252 1.00 72.24 C ATOM 806 CE3 TRP A 51 -2.768 -5.447 -8.893 1.00 24.31 C ATOM 807 CZ2 TRP A 51 -4.528 -5.106 -11.076 1.00 5.41 C ATOM 808 CZ3 TRP A 51 -4.138 -5.446 -8.719 1.00 23.12 C ATOM 809 CH2 TRP A 51 -5.004 -5.277 -9.805 1.00 51.22 C ATOM 0 H TRP A 51 1.314 -3.147 -11.031 1.00 42.23 H new ATOM 0 HA TRP A 51 0.046 -3.854 -8.460 1.00 74.40 H new ATOM 0 HB2 TRP A 51 1.151 -5.644 -10.655 1.00 33.34 H new ATOM 0 HB3 TRP A 51 0.264 -6.163 -9.236 1.00 33.34 H new ATOM 0 HD1 TRP A 51 -0.251 -4.930 -12.760 1.00 0.12 H new ATOM 0 HE1 TRP A 51 -2.770 -4.829 -13.333 1.00 21.23 H new ATOM 0 HE3 TRP A 51 -2.107 -5.580 -8.049 1.00 24.31 H new ATOM 0 HZ2 TRP A 51 -5.199 -4.977 -11.912 1.00 5.41 H new ATOM 0 HZ3 TRP A 51 -4.548 -5.578 -7.728 1.00 23.12 H new ATOM 0 HH2 TRP A 51 -6.071 -5.282 -9.636 1.00 51.22 H new ATOM 820 N GLN A 52 3.195 -3.904 -9.279 1.00 31.45 N ATOM 821 CA GLN A 52 4.555 -4.091 -8.785 1.00 62.03 C ATOM 822 C GLN A 52 4.788 -3.274 -7.519 1.00 4.45 C ATOM 823 O GLN A 52 5.248 -3.803 -6.506 1.00 53.14 O ATOM 824 CB GLN A 52 5.572 -3.707 -9.863 1.00 61.42 C ATOM 825 CG GLN A 52 7.018 -3.976 -9.466 1.00 0.22 C ATOM 826 CD GLN A 52 7.309 -5.449 -9.235 1.00 13.40 C ATOM 827 OE1 GLN A 52 8.146 -5.804 -8.406 1.00 42.14 O ATOM 828 NE2 GLN A 52 6.636 -6.316 -9.978 1.00 24.12 N ATOM 0 H GLN A 52 3.138 -3.466 -10.198 1.00 31.45 H new ATOM 0 HA GLN A 52 4.688 -5.145 -8.540 1.00 62.03 H new ATOM 0 HB2 GLN A 52 5.347 -4.259 -10.775 1.00 61.42 H new ATOM 0 HB3 GLN A 52 5.459 -2.648 -10.095 1.00 61.42 H new ATOM 0 HG2 GLN A 52 7.679 -3.599 -10.247 1.00 0.22 H new ATOM 0 HG3 GLN A 52 7.249 -3.420 -8.558 1.00 0.22 H new ATOM 0 HE21 GLN A 52 5.950 -5.983 -10.655 1.00 24.12 H new ATOM 0 HE22 GLN A 52 6.804 -7.316 -9.873 1.00 24.12 H new ATOM 837 N LYS A 53 4.454 -1.992 -7.574 1.00 33.12 N ATOM 838 CA LYS A 53 4.596 -1.115 -6.420 1.00 54.31 C ATOM 839 C LYS A 53 3.645 -1.545 -5.316 1.00 63.13 C ATOM 840 O LYS A 53 3.981 -1.481 -4.135 1.00 74.21 O ATOM 841 CB LYS A 53 4.317 0.337 -6.807 1.00 74.35 C ATOM 842 CG LYS A 53 5.395 0.974 -7.669 1.00 24.20 C ATOM 843 CD LYS A 53 6.666 1.222 -6.877 1.00 52.44 C ATOM 844 CE LYS A 53 7.704 1.960 -7.706 1.00 74.43 C ATOM 845 NZ LYS A 53 8.926 2.266 -6.919 1.00 4.53 N ATOM 0 H LYS A 53 4.082 -1.536 -8.407 1.00 33.12 H new ATOM 0 HA LYS A 53 5.622 -1.188 -6.059 1.00 54.31 H new ATOM 0 HB2 LYS A 53 3.368 0.382 -7.341 1.00 74.35 H new ATOM 0 HB3 LYS A 53 4.200 0.927 -5.898 1.00 74.35 H new ATOM 0 HG2 LYS A 53 5.614 0.326 -8.517 1.00 24.20 H new ATOM 0 HG3 LYS A 53 5.028 1.917 -8.075 1.00 24.20 H new ATOM 0 HD2 LYS A 53 6.432 1.802 -5.984 1.00 52.44 H new ATOM 0 HD3 LYS A 53 7.077 0.271 -6.540 1.00 52.44 H new ATOM 0 HE2 LYS A 53 7.972 1.356 -8.573 1.00 74.43 H new ATOM 0 HE3 LYS A 53 7.274 2.887 -8.084 1.00 74.43 H new ATOM 0 HZ1 LYS A 53 9.609 2.769 -7.520 1.00 4.53 H new ATOM 0 HZ2 LYS A 53 8.675 2.863 -6.106 1.00 4.53 H new ATOM 0 HZ3 LYS A 53 9.351 1.380 -6.579 1.00 4.53 H new ATOM 859 N ALA A 54 2.461 -1.995 -5.713 1.00 4.41 N ATOM 860 CA ALA A 54 1.467 -2.463 -4.761 1.00 52.11 C ATOM 861 C ALA A 54 2.010 -3.640 -3.956 1.00 23.31 C ATOM 862 O ALA A 54 1.989 -3.619 -2.730 1.00 33.13 O ATOM 863 CB ALA A 54 0.184 -2.851 -5.482 1.00 41.50 C ATOM 0 H ALA A 54 2.168 -2.045 -6.689 1.00 4.41 H new ATOM 0 HA ALA A 54 1.241 -1.652 -4.069 1.00 52.11 H new ATOM 0 HB1 ALA A 54 -0.550 -3.199 -4.756 1.00 41.50 H new ATOM 0 HB2 ALA A 54 -0.212 -1.985 -6.012 1.00 41.50 H new ATOM 0 HB3 ALA A 54 0.394 -3.647 -6.196 1.00 41.50 H new ATOM 869 N LEU A 55 2.519 -4.650 -4.657 1.00 14.32 N ATOM 870 CA LEU A 55 3.083 -5.836 -4.015 1.00 64.43 C ATOM 871 C LEU A 55 4.234 -5.474 -3.083 1.00 31.32 C ATOM 872 O LEU A 55 4.305 -5.964 -1.956 1.00 32.31 O ATOM 873 CB LEU A 55 3.569 -6.826 -5.074 1.00 73.25 C ATOM 874 CG LEU A 55 2.462 -7.524 -5.856 1.00 14.34 C ATOM 875 CD1 LEU A 55 3.052 -8.344 -6.992 1.00 22.10 C ATOM 876 CD2 LEU A 55 1.645 -8.407 -4.925 1.00 62.33 C ATOM 0 H LEU A 55 2.553 -4.671 -5.676 1.00 14.32 H new ATOM 0 HA LEU A 55 2.295 -6.296 -3.418 1.00 64.43 H new ATOM 0 HB2 LEU A 55 4.212 -6.297 -5.777 1.00 73.25 H new ATOM 0 HB3 LEU A 55 4.183 -7.584 -4.588 1.00 73.25 H new ATOM 0 HG LEU A 55 1.804 -6.769 -6.287 1.00 14.34 H new ATOM 0 HD11 LEU A 55 2.249 -8.836 -7.541 1.00 22.10 H new ATOM 0 HD12 LEU A 55 3.603 -7.688 -7.666 1.00 22.10 H new ATOM 0 HD13 LEU A 55 3.727 -9.096 -6.585 1.00 22.10 H new ATOM 0 HD21 LEU A 55 0.856 -8.902 -5.492 1.00 62.33 H new ATOM 0 HD22 LEU A 55 2.293 -9.158 -4.474 1.00 62.33 H new ATOM 0 HD23 LEU A 55 1.199 -7.795 -4.141 1.00 62.33 H new ATOM 888 N ASN A 56 5.129 -4.616 -3.562 1.00 72.10 N ATOM 889 CA ASN A 56 6.277 -4.183 -2.768 1.00 65.42 C ATOM 890 C ASN A 56 5.825 -3.528 -1.469 1.00 14.33 C ATOM 891 O ASN A 56 6.340 -3.839 -0.395 1.00 4.23 O ATOM 892 CB ASN A 56 7.157 -3.212 -3.564 1.00 44.34 C ATOM 893 CG ASN A 56 8.182 -3.919 -4.435 1.00 30.33 C ATOM 894 OD1 ASN A 56 9.307 -4.172 -4.006 1.00 54.21 O ATOM 895 ND2 ASN A 56 7.808 -4.235 -5.665 1.00 63.42 N ATOM 0 H ASN A 56 5.083 -4.206 -4.495 1.00 72.10 H new ATOM 0 HA ASN A 56 6.864 -5.069 -2.526 1.00 65.42 H new ATOM 0 HB2 ASN A 56 6.523 -2.587 -4.193 1.00 44.34 H new ATOM 0 HB3 ASN A 56 7.673 -2.547 -2.872 1.00 44.34 H new ATOM 0 HD21 ASN A 56 8.461 -4.704 -6.292 1.00 63.42 H new ATOM 0 HD22 ASN A 56 6.866 -4.009 -5.986 1.00 63.42 H new ATOM 902 N ASN A 57 4.845 -2.642 -1.568 1.00 1.52 N ATOM 903 CA ASN A 57 4.348 -1.928 -0.398 1.00 54.20 C ATOM 904 C ASN A 57 3.523 -2.844 0.501 1.00 21.31 C ATOM 905 O ASN A 57 3.632 -2.771 1.725 1.00 31.15 O ATOM 906 CB ASN A 57 3.542 -0.693 -0.811 1.00 25.21 C ATOM 907 CG ASN A 57 4.433 0.468 -1.225 1.00 75.12 C ATOM 908 OD1 ASN A 57 4.842 1.274 -0.394 1.00 65.52 O ATOM 909 ND2 ASN A 57 4.736 0.569 -2.509 1.00 61.40 N ATOM 0 H ASN A 57 4.379 -2.400 -2.442 1.00 1.52 H new ATOM 0 HA ASN A 57 5.211 -1.591 0.176 1.00 54.20 H new ATOM 0 HB2 ASN A 57 2.881 -0.953 -1.638 1.00 25.21 H new ATOM 0 HB3 ASN A 57 2.907 -0.382 0.019 1.00 25.21 H new ATOM 0 HD21 ASN A 57 5.326 1.334 -2.835 1.00 61.40 H new ATOM 0 HD22 ASN A 57 4.379 -0.118 -3.173 1.00 61.40 H new ATOM 916 N TYR A 58 2.717 -3.722 -0.096 1.00 44.21 N ATOM 917 CA TYR A 58 1.963 -4.707 0.679 1.00 22.31 C ATOM 918 C TYR A 58 2.911 -5.552 1.515 1.00 55.42 C ATOM 919 O TYR A 58 2.706 -5.738 2.714 1.00 13.43 O ATOM 920 CB TYR A 58 1.144 -5.634 -0.226 1.00 71.13 C ATOM 921 CG TYR A 58 -0.077 -4.999 -0.861 1.00 11.52 C ATOM 922 CD1 TYR A 58 -0.734 -3.930 -0.261 1.00 73.05 C ATOM 923 CD2 TYR A 58 -0.583 -5.490 -2.060 1.00 21.00 C ATOM 924 CE1 TYR A 58 -1.857 -3.367 -0.843 1.00 42.41 C ATOM 925 CE2 TYR A 58 -1.702 -4.931 -2.645 1.00 73.25 C ATOM 926 CZ TYR A 58 -2.335 -3.873 -2.035 1.00 4.15 C ATOM 927 OH TYR A 58 -3.451 -3.316 -2.618 1.00 54.04 O ATOM 0 H TYR A 58 2.570 -3.772 -1.104 1.00 44.21 H new ATOM 0 HA TYR A 58 1.279 -4.156 1.324 1.00 22.31 H new ATOM 0 HB2 TYR A 58 1.793 -6.009 -1.018 1.00 71.13 H new ATOM 0 HB3 TYR A 58 0.823 -6.496 0.358 1.00 71.13 H new ATOM 0 HD1 TYR A 58 -0.363 -3.533 0.672 1.00 73.05 H new ATOM 0 HD2 TYR A 58 -0.092 -6.323 -2.542 1.00 21.00 H new ATOM 0 HE1 TYR A 58 -2.356 -2.536 -0.367 1.00 42.41 H new ATOM 0 HE2 TYR A 58 -2.079 -5.323 -3.578 1.00 73.25 H new ATOM 0 HH TYR A 58 -3.637 -2.447 -2.205 1.00 54.04 H new ATOM 937 N GLN A 59 3.959 -6.049 0.870 1.00 52.40 N ATOM 938 CA GLN A 59 4.942 -6.895 1.529 1.00 71.24 C ATOM 939 C GLN A 59 5.638 -6.140 2.655 1.00 24.11 C ATOM 940 O GLN A 59 5.890 -6.699 3.721 1.00 41.22 O ATOM 941 CB GLN A 59 5.970 -7.395 0.509 1.00 34.14 C ATOM 942 CG GLN A 59 6.986 -8.376 1.074 1.00 54.05 C ATOM 943 CD GLN A 59 6.342 -9.607 1.684 1.00 2.43 C ATOM 944 OE1 GLN A 59 6.067 -10.585 0.990 1.00 3.45 O ATOM 945 NE2 GLN A 59 6.106 -9.572 2.985 1.00 41.41 N ATOM 0 H GLN A 59 4.149 -5.878 -0.117 1.00 52.40 H new ATOM 0 HA GLN A 59 4.426 -7.752 1.963 1.00 71.24 H new ATOM 0 HB2 GLN A 59 5.443 -7.872 -0.317 1.00 34.14 H new ATOM 0 HB3 GLN A 59 6.501 -6.538 0.096 1.00 34.14 H new ATOM 0 HG2 GLN A 59 7.667 -8.684 0.280 1.00 54.05 H new ATOM 0 HG3 GLN A 59 7.587 -7.873 1.832 1.00 54.05 H new ATOM 0 HE21 GLN A 59 6.349 -8.742 3.525 1.00 41.41 H new ATOM 0 HE22 GLN A 59 5.681 -10.375 3.448 1.00 41.41 H new ATOM 954 N SER A 60 5.923 -4.865 2.421 1.00 72.14 N ATOM 955 CA SER A 60 6.603 -4.038 3.409 1.00 15.12 C ATOM 956 C SER A 60 5.756 -3.879 4.673 1.00 73.31 C ATOM 957 O SER A 60 6.286 -3.815 5.781 1.00 21.24 O ATOM 958 CB SER A 60 6.935 -2.672 2.806 1.00 33.02 C ATOM 959 OG SER A 60 7.759 -2.809 1.658 1.00 42.52 O ATOM 0 H SER A 60 5.693 -4.381 1.553 1.00 72.14 H new ATOM 0 HA SER A 60 7.531 -4.534 3.693 1.00 15.12 H new ATOM 0 HB2 SER A 60 6.014 -2.156 2.537 1.00 33.02 H new ATOM 0 HB3 SER A 60 7.440 -2.056 3.549 1.00 33.02 H new ATOM 0 HG SER A 60 7.213 -3.094 0.896 1.00 42.52 H new ATOM 965 N ALA A 61 4.437 -3.834 4.504 1.00 52.14 N ATOM 966 CA ALA A 61 3.528 -3.744 5.640 1.00 63.43 C ATOM 967 C ALA A 61 3.502 -5.060 6.408 1.00 74.33 C ATOM 968 O ALA A 61 3.536 -5.077 7.642 1.00 73.41 O ATOM 969 CB ALA A 61 2.129 -3.380 5.168 1.00 75.40 C ATOM 0 H ALA A 61 3.976 -3.858 3.594 1.00 52.14 H new ATOM 0 HA ALA A 61 3.886 -2.961 6.309 1.00 63.43 H new ATOM 0 HB1 ALA A 61 1.460 -3.316 6.027 1.00 75.40 H new ATOM 0 HB2 ALA A 61 2.156 -2.418 4.657 1.00 75.40 H new ATOM 0 HB3 ALA A 61 1.766 -4.145 4.482 1.00 75.40 H new ATOM 975 N ILE A 62 3.460 -6.160 5.662 1.00 5.13 N ATOM 976 CA ILE A 62 3.413 -7.495 6.249 1.00 42.45 C ATOM 977 C ILE A 62 4.688 -7.795 7.035 1.00 33.15 C ATOM 978 O ILE A 62 4.643 -8.439 8.082 1.00 45.44 O ATOM 979 CB ILE A 62 3.215 -8.576 5.165 1.00 61.41 C ATOM 980 CG1 ILE A 62 1.968 -8.269 4.333 1.00 75.22 C ATOM 981 CG2 ILE A 62 3.104 -9.955 5.802 1.00 40.04 C ATOM 982 CD1 ILE A 62 1.750 -9.233 3.190 1.00 30.21 C ATOM 0 H ILE A 62 3.458 -6.152 4.642 1.00 5.13 H new ATOM 0 HA ILE A 62 2.562 -7.516 6.929 1.00 42.45 H new ATOM 0 HB ILE A 62 4.083 -8.571 4.506 1.00 61.41 H new ATOM 0 HG12 ILE A 62 1.094 -8.287 4.984 1.00 75.22 H new ATOM 0 HG13 ILE A 62 2.048 -7.258 3.934 1.00 75.22 H new ATOM 0 HG21 ILE A 62 2.965 -10.705 5.024 1.00 40.04 H new ATOM 0 HG22 ILE A 62 4.016 -10.174 6.358 1.00 40.04 H new ATOM 0 HG23 ILE A 62 2.252 -9.974 6.481 1.00 40.04 H new ATOM 0 HD11 ILE A 62 0.848 -8.953 2.645 1.00 30.21 H new ATOM 0 HD12 ILE A 62 2.606 -9.199 2.517 1.00 30.21 H new ATOM 0 HD13 ILE A 62 1.638 -10.244 3.583 1.00 30.21 H new ATOM 994 N GLU A 63 5.818 -7.306 6.524 1.00 52.43 N ATOM 995 CA GLU A 63 7.122 -7.515 7.156 1.00 4.31 C ATOM 996 C GLU A 63 7.129 -7.046 8.605 1.00 31.44 C ATOM 997 O GLU A 63 7.827 -7.611 9.450 1.00 24.25 O ATOM 998 CB GLU A 63 8.212 -6.772 6.382 1.00 62.43 C ATOM 999 CG GLU A 63 8.568 -7.414 5.055 1.00 74.54 C ATOM 1000 CD GLU A 63 9.089 -8.821 5.229 1.00 72.12 C ATOM 1001 OE1 GLU A 63 10.219 -8.978 5.737 1.00 1.44 O ATOM 1002 OE2 GLU A 63 8.372 -9.770 4.869 1.00 74.24 O ATOM 0 H GLU A 63 5.856 -6.757 5.665 1.00 52.43 H new ATOM 0 HA GLU A 63 7.320 -8.587 7.140 1.00 4.31 H new ATOM 0 HB2 GLU A 63 7.883 -5.748 6.203 1.00 62.43 H new ATOM 0 HB3 GLU A 63 9.108 -6.716 7.000 1.00 62.43 H new ATOM 0 HG2 GLU A 63 7.688 -7.430 4.412 1.00 74.54 H new ATOM 0 HG3 GLU A 63 9.320 -6.809 4.550 1.00 74.54 H new ATOM 1009 N LEU A 64 6.357 -6.010 8.880 1.00 72.12 N ATOM 1010 CA LEU A 64 6.328 -5.406 10.200 1.00 3.11 C ATOM 1011 C LEU A 64 5.153 -5.934 11.013 1.00 53.45 C ATOM 1012 O LEU A 64 5.334 -6.484 12.101 1.00 41.02 O ATOM 1013 CB LEU A 64 6.244 -3.889 10.056 1.00 25.03 C ATOM 1014 CG LEU A 64 7.390 -3.265 9.260 1.00 22.10 C ATOM 1015 CD1 LEU A 64 7.058 -1.837 8.883 1.00 20.42 C ATOM 1016 CD2 LEU A 64 8.682 -3.317 10.060 1.00 15.20 C ATOM 0 H LEU A 64 5.738 -5.567 8.201 1.00 72.12 H new ATOM 0 HA LEU A 64 7.242 -5.668 10.733 1.00 3.11 H new ATOM 0 HB2 LEU A 64 5.301 -3.634 9.572 1.00 25.03 H new ATOM 0 HB3 LEU A 64 6.223 -3.443 11.050 1.00 25.03 H new ATOM 0 HG LEU A 64 7.527 -3.840 8.344 1.00 22.10 H new ATOM 0 HD11 LEU A 64 7.885 -1.408 8.317 1.00 20.42 H new ATOM 0 HD12 LEU A 64 6.155 -1.822 8.273 1.00 20.42 H new ATOM 0 HD13 LEU A 64 6.895 -1.251 9.787 1.00 20.42 H new ATOM 0 HD21 LEU A 64 9.488 -2.869 9.479 1.00 15.20 H new ATOM 0 HD22 LEU A 64 8.556 -2.765 10.991 1.00 15.20 H new ATOM 0 HD23 LEU A 64 8.930 -4.355 10.284 1.00 15.20 H new ATOM 1028 N ASN A 65 3.953 -5.784 10.476 1.00 55.41 N ATOM 1029 CA ASN A 65 2.749 -6.207 11.175 1.00 41.34 C ATOM 1030 C ASN A 65 2.036 -7.310 10.408 1.00 60.44 C ATOM 1031 O ASN A 65 1.420 -7.059 9.375 1.00 55.02 O ATOM 1032 CB ASN A 65 1.794 -5.025 11.390 1.00 42.51 C ATOM 1033 CG ASN A 65 2.177 -4.165 12.580 1.00 34.11 C ATOM 1034 OD1 ASN A 65 3.344 -4.084 12.957 1.00 2.43 O ATOM 1035 ND2 ASN A 65 1.196 -3.503 13.173 1.00 43.20 N ATOM 0 H ASN A 65 3.786 -5.372 9.558 1.00 55.41 H new ATOM 0 HA ASN A 65 3.053 -6.594 12.148 1.00 41.34 H new ATOM 0 HB2 ASN A 65 1.780 -4.408 10.492 1.00 42.51 H new ATOM 0 HB3 ASN A 65 0.782 -5.404 11.533 1.00 42.51 H new ATOM 0 HD21 ASN A 65 1.397 -2.901 13.971 1.00 43.20 H new ATOM 0 HD22 ASN A 65 0.239 -3.595 12.832 1.00 43.20 H new ATOM 1042 N PRO A 66 2.111 -8.551 10.905 1.00 41.22 N ATOM 1043 CA PRO A 66 1.411 -9.690 10.307 1.00 64.23 C ATOM 1044 C PRO A 66 -0.092 -9.604 10.542 1.00 44.24 C ATOM 1045 O PRO A 66 -0.866 -10.398 10.014 1.00 12.35 O ATOM 1046 CB PRO A 66 2.000 -10.914 11.029 1.00 11.11 C ATOM 1047 CG PRO A 66 3.177 -10.401 11.796 1.00 52.55 C ATOM 1048 CD PRO A 66 2.893 -8.955 12.078 1.00 41.53 C ATOM 0 HA PRO A 66 1.543 -9.730 9.226 1.00 64.23 H new ATOM 0 HB2 PRO A 66 1.266 -11.367 11.695 1.00 11.11 H new ATOM 0 HB3 PRO A 66 2.301 -11.682 10.317 1.00 11.11 H new ATOM 0 HG2 PRO A 66 3.312 -10.959 12.722 1.00 52.55 H new ATOM 0 HG3 PRO A 66 4.096 -10.512 11.220 1.00 52.55 H new ATOM 0 HD2 PRO A 66 2.333 -8.824 13.004 1.00 41.53 H new ATOM 0 HD3 PRO A 66 3.809 -8.373 12.175 1.00 41.53 H new ATOM 1056 N ASP A 67 -0.493 -8.630 11.345 1.00 52.13 N ATOM 1057 CA ASP A 67 -1.898 -8.399 11.639 1.00 13.41 C ATOM 1058 C ASP A 67 -2.500 -7.453 10.609 1.00 73.23 C ATOM 1059 O ASP A 67 -3.701 -7.181 10.620 1.00 0.33 O ATOM 1060 CB ASP A 67 -2.056 -7.804 13.039 1.00 21.03 C ATOM 1061 CG ASP A 67 -1.421 -8.662 14.114 1.00 21.02 C ATOM 1062 OD1 ASP A 67 -0.181 -8.625 14.254 1.00 44.01 O ATOM 1063 OD2 ASP A 67 -2.158 -9.369 14.832 1.00 14.15 O ATOM 0 H ASP A 67 0.143 -7.981 11.809 1.00 52.13 H new ATOM 0 HA ASP A 67 -2.422 -9.354 11.598 1.00 13.41 H new ATOM 0 HB2 ASP A 67 -1.607 -6.811 13.060 1.00 21.03 H new ATOM 0 HB3 ASP A 67 -3.116 -7.679 13.259 1.00 21.03 H new ATOM 1068 N SER A 68 -1.647 -6.954 9.725 1.00 22.31 N ATOM 1069 CA SER A 68 -2.056 -6.020 8.691 1.00 1.21 C ATOM 1070 C SER A 68 -2.970 -6.703 7.676 1.00 32.52 C ATOM 1071 O SER A 68 -2.769 -7.867 7.330 1.00 61.03 O ATOM 1072 CB SER A 68 -0.813 -5.456 7.991 1.00 21.45 C ATOM 1073 OG SER A 68 -1.160 -4.600 6.917 1.00 2.30 O ATOM 0 H SER A 68 -0.654 -7.186 9.706 1.00 22.31 H new ATOM 0 HA SER A 68 -2.613 -5.204 9.152 1.00 1.21 H new ATOM 0 HB2 SER A 68 -0.207 -4.908 8.712 1.00 21.45 H new ATOM 0 HB3 SER A 68 -0.201 -6.277 7.619 1.00 21.45 H new ATOM 0 HG SER A 68 -0.397 -4.513 6.308 1.00 2.30 H new ATOM 1079 N PRO A 69 -3.992 -5.986 7.190 1.00 3.31 N ATOM 1080 CA PRO A 69 -4.882 -6.489 6.142 1.00 54.23 C ATOM 1081 C PRO A 69 -4.164 -6.615 4.797 1.00 75.13 C ATOM 1082 O PRO A 69 -4.727 -7.115 3.820 1.00 25.10 O ATOM 1083 CB PRO A 69 -5.984 -5.430 6.065 1.00 33.24 C ATOM 1084 CG PRO A 69 -5.367 -4.189 6.609 1.00 74.22 C ATOM 1085 CD PRO A 69 -4.375 -4.637 7.645 1.00 62.33 C ATOM 0 HA PRO A 69 -5.256 -7.488 6.366 1.00 54.23 H new ATOM 0 HB2 PRO A 69 -6.321 -5.286 5.039 1.00 33.24 H new ATOM 0 HB3 PRO A 69 -6.856 -5.725 6.648 1.00 33.24 H new ATOM 0 HG2 PRO A 69 -4.876 -3.619 5.820 1.00 74.22 H new ATOM 0 HG3 PRO A 69 -6.123 -3.538 7.049 1.00 74.22 H new ATOM 0 HD2 PRO A 69 -3.515 -3.970 7.693 1.00 62.33 H new ATOM 0 HD3 PRO A 69 -4.817 -4.659 8.641 1.00 62.33 H new ATOM 1093 N ALA A 70 -2.909 -6.167 4.761 1.00 31.05 N ATOM 1094 CA ALA A 70 -2.092 -6.234 3.556 1.00 42.34 C ATOM 1095 C ALA A 70 -1.796 -7.679 3.169 1.00 61.12 C ATOM 1096 O ALA A 70 -1.415 -7.956 2.033 1.00 43.12 O ATOM 1097 CB ALA A 70 -0.793 -5.464 3.751 1.00 3.45 C ATOM 0 H ALA A 70 -2.435 -5.750 5.563 1.00 31.05 H new ATOM 0 HA ALA A 70 -2.656 -5.775 2.744 1.00 42.34 H new ATOM 0 HB1 ALA A 70 -0.194 -5.524 2.842 1.00 3.45 H new ATOM 0 HB2 ALA A 70 -1.018 -4.420 3.969 1.00 3.45 H new ATOM 0 HB3 ALA A 70 -0.235 -5.896 4.582 1.00 3.45 H new ATOM 1103 N LEU A 71 -1.972 -8.596 4.116 1.00 12.42 N ATOM 1104 CA LEU A 71 -1.794 -10.018 3.845 1.00 71.43 C ATOM 1105 C LEU A 71 -2.780 -10.482 2.783 1.00 63.02 C ATOM 1106 O LEU A 71 -2.406 -11.145 1.811 1.00 1.34 O ATOM 1107 CB LEU A 71 -1.982 -10.848 5.118 1.00 32.44 C ATOM 1108 CG LEU A 71 -0.749 -10.984 6.018 1.00 41.41 C ATOM 1109 CD1 LEU A 71 -0.371 -9.650 6.638 1.00 2.34 C ATOM 1110 CD2 LEU A 71 -1.000 -12.021 7.097 1.00 0.44 C ATOM 0 H LEU A 71 -2.237 -8.380 5.077 1.00 12.42 H new ATOM 0 HA LEU A 71 -0.777 -10.164 3.481 1.00 71.43 H new ATOM 0 HB2 LEU A 71 -2.787 -10.403 5.703 1.00 32.44 H new ATOM 0 HB3 LEU A 71 -2.311 -11.847 4.832 1.00 32.44 H new ATOM 0 HG LEU A 71 0.087 -11.313 5.401 1.00 41.41 H new ATOM 0 HD11 LEU A 71 0.507 -9.779 7.271 1.00 2.34 H new ATOM 0 HD12 LEU A 71 -0.147 -8.932 5.849 1.00 2.34 H new ATOM 0 HD13 LEU A 71 -1.201 -9.280 7.240 1.00 2.34 H new ATOM 0 HD21 LEU A 71 -0.117 -12.109 7.730 1.00 0.44 H new ATOM 0 HD22 LEU A 71 -1.852 -11.716 7.704 1.00 0.44 H new ATOM 0 HD23 LEU A 71 -1.211 -12.985 6.633 1.00 0.44 H new ATOM 1122 N GLN A 72 -4.039 -10.102 2.966 1.00 1.02 N ATOM 1123 CA GLN A 72 -5.098 -10.472 2.039 1.00 3.11 C ATOM 1124 C GLN A 72 -4.902 -9.755 0.708 1.00 62.50 C ATOM 1125 O GLN A 72 -5.221 -10.286 -0.353 1.00 52.23 O ATOM 1126 CB GLN A 72 -6.465 -10.112 2.628 1.00 54.31 C ATOM 1127 CG GLN A 72 -6.707 -10.674 4.022 1.00 34.44 C ATOM 1128 CD GLN A 72 -6.679 -12.190 4.066 1.00 32.23 C ATOM 1129 OE1 GLN A 72 -7.020 -12.862 3.089 1.00 11.32 O ATOM 1130 NE2 GLN A 72 -6.267 -12.739 5.199 1.00 64.24 N ATOM 0 H GLN A 72 -4.351 -9.534 3.754 1.00 1.02 H new ATOM 0 HA GLN A 72 -5.057 -11.548 1.872 1.00 3.11 H new ATOM 0 HB2 GLN A 72 -6.559 -9.027 2.664 1.00 54.31 H new ATOM 0 HB3 GLN A 72 -7.245 -10.478 1.960 1.00 54.31 H new ATOM 0 HG2 GLN A 72 -5.950 -10.283 4.701 1.00 34.44 H new ATOM 0 HG3 GLN A 72 -7.673 -10.324 4.386 1.00 34.44 H new ATOM 0 HE21 GLN A 72 -5.994 -12.147 5.983 1.00 64.24 H new ATOM 0 HE22 GLN A 72 -6.223 -13.754 5.287 1.00 64.24 H new ATOM 1139 N ALA A 73 -4.351 -8.553 0.783 1.00 31.54 N ATOM 1140 CA ALA A 73 -4.120 -7.737 -0.398 1.00 34.11 C ATOM 1141 C ALA A 73 -2.962 -8.283 -1.235 1.00 10.11 C ATOM 1142 O ALA A 73 -3.037 -8.308 -2.464 1.00 72.32 O ATOM 1143 CB ALA A 73 -3.856 -6.297 0.012 1.00 74.13 C ATOM 0 H ALA A 73 -4.054 -8.119 1.657 1.00 31.54 H new ATOM 0 HA ALA A 73 -5.016 -7.771 -1.018 1.00 34.11 H new ATOM 0 HB1 ALA A 73 -3.684 -5.691 -0.878 1.00 74.13 H new ATOM 0 HB2 ALA A 73 -4.719 -5.909 0.554 1.00 74.13 H new ATOM 0 HB3 ALA A 73 -2.976 -6.257 0.654 1.00 74.13 H new ATOM 1149 N ARG A 74 -1.898 -8.725 -0.567 1.00 14.24 N ATOM 1150 CA ARG A 74 -0.737 -9.273 -1.264 1.00 54.40 C ATOM 1151 C ARG A 74 -1.127 -10.509 -2.063 1.00 44.12 C ATOM 1152 O ARG A 74 -0.830 -10.605 -3.253 1.00 53.44 O ATOM 1153 CB ARG A 74 0.382 -9.636 -0.283 1.00 54.12 C ATOM 1154 CG ARG A 74 1.667 -10.073 -0.976 1.00 62.21 C ATOM 1155 CD ARG A 74 2.676 -10.646 0.008 1.00 52.31 C ATOM 1156 NE ARG A 74 2.199 -11.891 0.613 1.00 31.31 N ATOM 1157 CZ ARG A 74 2.808 -12.524 1.617 1.00 33.31 C ATOM 1158 NH1 ARG A 74 3.954 -12.063 2.106 1.00 44.52 N ATOM 1159 NH2 ARG A 74 2.279 -13.636 2.111 1.00 52.12 N ATOM 0 H ARG A 74 -1.816 -8.715 0.450 1.00 14.24 H new ATOM 0 HA ARG A 74 -0.371 -8.502 -1.942 1.00 54.40 H new ATOM 0 HB2 ARG A 74 0.593 -8.776 0.352 1.00 54.12 H new ATOM 0 HB3 ARG A 74 0.038 -10.438 0.370 1.00 54.12 H new ATOM 0 HG2 ARG A 74 1.434 -10.821 -1.734 1.00 62.21 H new ATOM 0 HG3 ARG A 74 2.108 -9.221 -1.493 1.00 62.21 H new ATOM 0 HD2 ARG A 74 3.620 -10.830 -0.505 1.00 52.31 H new ATOM 0 HD3 ARG A 74 2.876 -9.915 0.791 1.00 52.31 H new ATOM 0 HE ARG A 74 1.343 -12.302 0.242 1.00 31.31 H new ATOM 0 HH11 ARG A 74 4.374 -11.220 1.714 1.00 44.52 H new ATOM 0 HH12 ARG A 74 4.414 -12.552 2.874 1.00 44.52 H new ATOM 0 HH21 ARG A 74 1.410 -14.004 1.723 1.00 52.12 H new ATOM 0 HH22 ARG A 74 2.741 -14.123 2.879 1.00 52.12 H new ATOM 1173 N LYS A 75 -1.801 -11.450 -1.408 1.00 14.43 N ATOM 1174 CA LYS A 75 -2.208 -12.682 -2.072 1.00 30.25 C ATOM 1175 C LYS A 75 -3.247 -12.397 -3.148 1.00 35.04 C ATOM 1176 O LYS A 75 -3.294 -13.084 -4.165 1.00 42.22 O ATOM 1177 CB LYS A 75 -2.731 -13.724 -1.073 1.00 61.02 C ATOM 1178 CG LYS A 75 -3.910 -13.265 -0.231 1.00 43.23 C ATOM 1179 CD LYS A 75 -4.425 -14.385 0.662 1.00 54.23 C ATOM 1180 CE LYS A 75 -3.366 -14.859 1.648 1.00 24.24 C ATOM 1181 NZ LYS A 75 -3.834 -16.020 2.453 1.00 4.40 N ATOM 0 H LYS A 75 -2.074 -11.384 -0.428 1.00 14.43 H new ATOM 0 HA LYS A 75 -1.322 -13.103 -2.548 1.00 30.25 H new ATOM 0 HB2 LYS A 75 -3.022 -14.619 -1.622 1.00 61.02 H new ATOM 0 HB3 LYS A 75 -1.916 -14.009 -0.407 1.00 61.02 H new ATOM 0 HG2 LYS A 75 -3.611 -12.416 0.384 1.00 43.23 H new ATOM 0 HG3 LYS A 75 -4.712 -12.920 -0.883 1.00 43.23 H new ATOM 0 HD2 LYS A 75 -5.301 -14.038 1.210 1.00 54.23 H new ATOM 0 HD3 LYS A 75 -4.746 -15.223 0.044 1.00 54.23 H new ATOM 0 HE2 LYS A 75 -2.462 -15.135 1.105 1.00 24.24 H new ATOM 0 HE3 LYS A 75 -3.099 -14.039 2.315 1.00 24.24 H new ATOM 0 HZ1 LYS A 75 -3.083 -16.311 3.111 1.00 4.40 H new ATOM 0 HZ2 LYS A 75 -4.681 -15.750 2.992 1.00 4.40 H new ATOM 0 HZ3 LYS A 75 -4.065 -16.812 1.819 1.00 4.40 H new ATOM 1195 N MET A 76 -4.069 -11.375 -2.921 1.00 2.33 N ATOM 1196 CA MET A 76 -5.053 -10.955 -3.912 1.00 43.13 C ATOM 1197 C MET A 76 -4.365 -10.582 -5.222 1.00 54.53 C ATOM 1198 O MET A 76 -4.743 -11.059 -6.290 1.00 41.52 O ATOM 1199 CB MET A 76 -5.854 -9.754 -3.410 1.00 54.01 C ATOM 1200 CG MET A 76 -6.947 -9.312 -4.373 1.00 1.24 C ATOM 1201 SD MET A 76 -7.462 -7.607 -4.117 1.00 4.40 S ATOM 1202 CE MET A 76 -5.969 -6.753 -4.615 1.00 45.41 C ATOM 0 H MET A 76 -4.072 -10.825 -2.062 1.00 2.33 H new ATOM 0 HA MET A 76 -5.731 -11.792 -4.081 1.00 43.13 H new ATOM 0 HB2 MET A 76 -6.305 -10.003 -2.450 1.00 54.01 H new ATOM 0 HB3 MET A 76 -5.174 -8.920 -3.236 1.00 54.01 H new ATOM 0 HG2 MET A 76 -6.591 -9.428 -5.397 1.00 1.24 H new ATOM 0 HG3 MET A 76 -7.810 -9.968 -4.260 1.00 1.24 H new ATOM 0 HE1 MET A 76 -5.739 -5.970 -3.892 1.00 45.41 H new ATOM 0 HE2 MET A 76 -5.142 -7.461 -4.658 1.00 45.41 H new ATOM 0 HE3 MET A 76 -6.116 -6.307 -5.598 1.00 45.41 H new ATOM 1212 N VAL A 77 -3.347 -9.732 -5.130 1.00 62.42 N ATOM 1213 CA VAL A 77 -2.616 -9.285 -6.310 1.00 33.24 C ATOM 1214 C VAL A 77 -1.862 -10.444 -6.951 1.00 20.44 C ATOM 1215 O VAL A 77 -1.814 -10.558 -8.171 1.00 33.12 O ATOM 1216 CB VAL A 77 -1.630 -8.145 -5.979 1.00 61.20 C ATOM 1217 CG1 VAL A 77 -0.882 -7.694 -7.226 1.00 10.13 C ATOM 1218 CG2 VAL A 77 -2.360 -6.973 -5.350 1.00 42.43 C ATOM 0 H VAL A 77 -3.010 -9.339 -4.251 1.00 62.42 H new ATOM 0 HA VAL A 77 -3.354 -8.902 -7.014 1.00 33.24 H new ATOM 0 HB VAL A 77 -0.902 -8.527 -5.263 1.00 61.20 H new ATOM 0 HG11 VAL A 77 -0.193 -6.890 -6.966 1.00 10.13 H new ATOM 0 HG12 VAL A 77 -0.321 -8.533 -7.637 1.00 10.13 H new ATOM 0 HG13 VAL A 77 -1.595 -7.335 -7.968 1.00 10.13 H new ATOM 0 HG21 VAL A 77 -1.648 -6.180 -5.124 1.00 42.43 H new ATOM 0 HG22 VAL A 77 -3.112 -6.598 -6.044 1.00 42.43 H new ATOM 0 HG23 VAL A 77 -2.845 -7.298 -4.430 1.00 42.43 H new ATOM 1228 N MET A 78 -1.291 -11.310 -6.120 1.00 63.42 N ATOM 1229 CA MET A 78 -0.591 -12.495 -6.614 1.00 12.40 C ATOM 1230 C MET A 78 -1.543 -13.388 -7.396 1.00 13.12 C ATOM 1231 O MET A 78 -1.164 -13.999 -8.397 1.00 30.41 O ATOM 1232 CB MET A 78 0.029 -13.285 -5.457 1.00 14.33 C ATOM 1233 CG MET A 78 1.196 -12.578 -4.790 1.00 63.42 C ATOM 1234 SD MET A 78 2.596 -12.356 -5.903 1.00 2.04 S ATOM 1235 CE MET A 78 3.708 -11.433 -4.849 1.00 15.52 C ATOM 0 H MET A 78 -1.298 -11.216 -5.104 1.00 63.42 H new ATOM 0 HA MET A 78 0.208 -12.161 -7.276 1.00 12.40 H new ATOM 0 HB2 MET A 78 -0.740 -13.482 -4.710 1.00 14.33 H new ATOM 0 HB3 MET A 78 0.367 -14.252 -5.829 1.00 14.33 H new ATOM 0 HG2 MET A 78 0.867 -11.604 -4.427 1.00 63.42 H new ATOM 0 HG3 MET A 78 1.515 -13.152 -3.920 1.00 63.42 H new ATOM 0 HE1 MET A 78 4.135 -10.602 -5.410 1.00 15.52 H new ATOM 0 HE2 MET A 78 3.159 -11.047 -3.990 1.00 15.52 H new ATOM 0 HE3 MET A 78 4.509 -12.087 -4.504 1.00 15.52 H new ATOM 1245 N ASP A 79 -2.780 -13.455 -6.930 1.00 14.22 N ATOM 1246 CA ASP A 79 -3.820 -14.228 -7.597 1.00 24.34 C ATOM 1247 C ASP A 79 -4.192 -13.569 -8.920 1.00 30.11 C ATOM 1248 O ASP A 79 -4.203 -14.214 -9.967 1.00 13.01 O ATOM 1249 CB ASP A 79 -5.053 -14.328 -6.689 1.00 3.42 C ATOM 1250 CG ASP A 79 -6.048 -15.383 -7.136 1.00 74.21 C ATOM 1251 OD1 ASP A 79 -6.899 -15.091 -7.995 1.00 25.50 O ATOM 1252 OD2 ASP A 79 -6.001 -16.508 -6.591 1.00 53.03 O ATOM 0 H ASP A 79 -3.092 -12.979 -6.084 1.00 14.22 H new ATOM 0 HA ASP A 79 -3.447 -15.232 -7.800 1.00 24.34 H new ATOM 0 HB2 ASP A 79 -4.729 -14.552 -5.673 1.00 3.42 H new ATOM 0 HB3 ASP A 79 -5.552 -13.359 -6.658 1.00 3.42 H new ATOM 1257 N ILE A 80 -4.452 -12.266 -8.863 1.00 15.33 N ATOM 1258 CA ILE A 80 -4.848 -11.504 -10.041 1.00 34.25 C ATOM 1259 C ILE A 80 -3.743 -11.507 -11.100 1.00 13.04 C ATOM 1260 O ILE A 80 -4.005 -11.737 -12.281 1.00 40.20 O ATOM 1261 CB ILE A 80 -5.208 -10.048 -9.666 1.00 42.03 C ATOM 1262 CG1 ILE A 80 -6.377 -10.024 -8.676 1.00 73.32 C ATOM 1263 CG2 ILE A 80 -5.557 -9.243 -10.908 1.00 51.35 C ATOM 1264 CD1 ILE A 80 -6.745 -8.634 -8.198 1.00 1.32 C ATOM 0 H ILE A 80 -4.395 -11.714 -8.007 1.00 15.33 H new ATOM 0 HA ILE A 80 -5.731 -11.988 -10.457 1.00 34.25 H new ATOM 0 HB ILE A 80 -4.338 -9.593 -9.193 1.00 42.03 H new ATOM 0 HG12 ILE A 80 -7.249 -10.479 -9.146 1.00 73.32 H new ATOM 0 HG13 ILE A 80 -6.123 -10.639 -7.813 1.00 73.32 H new ATOM 0 HG21 ILE A 80 -5.807 -8.222 -10.621 1.00 51.35 H new ATOM 0 HG22 ILE A 80 -4.703 -9.231 -11.586 1.00 51.35 H new ATOM 0 HG23 ILE A 80 -6.411 -9.699 -11.409 1.00 51.35 H new ATOM 0 HD11 ILE A 80 -7.580 -8.698 -7.501 1.00 1.32 H new ATOM 0 HD12 ILE A 80 -5.888 -8.183 -7.698 1.00 1.32 H new ATOM 0 HD13 ILE A 80 -7.032 -8.020 -9.052 1.00 1.32 H new ATOM 1276 N LEU A 81 -2.507 -11.268 -10.674 1.00 74.40 N ATOM 1277 CA LEU A 81 -1.372 -11.264 -11.596 1.00 13.34 C ATOM 1278 C LEU A 81 -1.171 -12.630 -12.238 1.00 65.13 C ATOM 1279 O LEU A 81 -0.775 -12.720 -13.399 1.00 5.10 O ATOM 1280 CB LEU A 81 -0.087 -10.825 -10.893 1.00 54.05 C ATOM 1281 CG LEU A 81 0.025 -9.323 -10.624 1.00 12.40 C ATOM 1282 CD1 LEU A 81 1.372 -8.991 -10.007 1.00 34.23 C ATOM 1283 CD2 LEU A 81 -0.179 -8.542 -11.913 1.00 12.22 C ATOM 0 H LEU A 81 -2.264 -11.075 -9.702 1.00 74.40 H new ATOM 0 HA LEU A 81 -1.602 -10.544 -12.381 1.00 13.34 H new ATOM 0 HB2 LEU A 81 -0.011 -11.355 -9.944 1.00 54.05 H new ATOM 0 HB3 LEU A 81 0.764 -11.134 -11.499 1.00 54.05 H new ATOM 0 HG LEU A 81 -0.754 -9.037 -9.917 1.00 12.40 H new ATOM 0 HD11 LEU A 81 1.433 -7.918 -9.823 1.00 34.23 H new ATOM 0 HD12 LEU A 81 1.483 -9.528 -9.065 1.00 34.23 H new ATOM 0 HD13 LEU A 81 2.168 -9.288 -10.690 1.00 34.23 H new ATOM 0 HD21 LEU A 81 -0.097 -7.475 -11.708 1.00 12.22 H new ATOM 0 HD22 LEU A 81 0.581 -8.832 -12.638 1.00 12.22 H new ATOM 0 HD23 LEU A 81 -1.168 -8.759 -12.317 1.00 12.22 H new ATOM 1295 N ASN A 82 -1.454 -13.688 -11.486 1.00 54.20 N ATOM 1296 CA ASN A 82 -1.346 -15.045 -12.011 1.00 64.20 C ATOM 1297 C ASN A 82 -2.316 -15.240 -13.170 1.00 44.13 C ATOM 1298 O ASN A 82 -2.007 -15.918 -14.148 1.00 22.30 O ATOM 1299 CB ASN A 82 -1.624 -16.075 -10.912 1.00 32.33 C ATOM 1300 CG ASN A 82 -1.507 -17.505 -11.408 1.00 14.15 C ATOM 1301 OD1 ASN A 82 -0.423 -18.086 -11.409 1.00 52.42 O ATOM 1302 ND2 ASN A 82 -2.626 -18.085 -11.824 1.00 71.11 N ATOM 0 H ASN A 82 -1.759 -13.633 -10.514 1.00 54.20 H new ATOM 0 HA ASN A 82 -0.328 -15.193 -12.372 1.00 64.20 H new ATOM 0 HB2 ASN A 82 -0.925 -15.921 -10.090 1.00 32.33 H new ATOM 0 HB3 ASN A 82 -2.625 -15.914 -10.513 1.00 32.33 H new ATOM 0 HD21 ASN A 82 -2.607 -19.048 -12.161 1.00 71.11 H new ATOM 0 HD22 ASN A 82 -3.505 -17.568 -11.807 1.00 71.11 H new ATOM 1309 N PHE A 83 -3.494 -14.641 -13.052 1.00 62.14 N ATOM 1310 CA PHE A 83 -4.474 -14.684 -14.124 1.00 11.00 C ATOM 1311 C PHE A 83 -4.069 -13.758 -15.268 1.00 12.21 C ATOM 1312 O PHE A 83 -4.175 -14.132 -16.436 1.00 75.40 O ATOM 1313 CB PHE A 83 -5.866 -14.322 -13.608 1.00 2.52 C ATOM 1314 CG PHE A 83 -6.547 -15.448 -12.881 1.00 1.12 C ATOM 1315 CD1 PHE A 83 -6.217 -15.755 -11.572 1.00 22.42 C ATOM 1316 CD2 PHE A 83 -7.525 -16.203 -13.513 1.00 5.31 C ATOM 1317 CE1 PHE A 83 -6.846 -16.791 -10.905 1.00 15.11 C ATOM 1318 CE2 PHE A 83 -8.156 -17.240 -12.853 1.00 41.41 C ATOM 1319 CZ PHE A 83 -7.816 -17.534 -11.546 1.00 51.24 C ATOM 0 H PHE A 83 -3.791 -14.121 -12.226 1.00 62.14 H new ATOM 0 HA PHE A 83 -4.508 -15.705 -14.505 1.00 11.00 H new ATOM 0 HB2 PHE A 83 -5.786 -13.465 -12.940 1.00 2.52 H new ATOM 0 HB3 PHE A 83 -6.488 -14.014 -14.449 1.00 2.52 H new ATOM 0 HD1 PHE A 83 -5.458 -15.178 -11.065 1.00 22.42 H new ATOM 0 HD2 PHE A 83 -7.796 -15.977 -14.534 1.00 5.31 H new ATOM 0 HE1 PHE A 83 -6.578 -17.018 -9.884 1.00 15.11 H new ATOM 0 HE2 PHE A 83 -8.914 -17.820 -13.358 1.00 41.41 H new ATOM 0 HZ PHE A 83 -8.308 -18.343 -11.028 1.00 51.24 H new ATOM 1329 N TYR A 84 -3.598 -12.556 -14.928 1.00 23.45 N ATOM 1330 CA TYR A 84 -3.123 -11.599 -15.928 1.00 1.11 C ATOM 1331 C TYR A 84 -2.054 -12.218 -16.819 1.00 22.51 C ATOM 1332 O TYR A 84 -2.283 -12.447 -18.007 1.00 75.02 O ATOM 1333 CB TYR A 84 -2.566 -10.333 -15.269 1.00 61.31 C ATOM 1334 CG TYR A 84 -3.549 -9.190 -15.226 1.00 15.45 C ATOM 1335 CD1 TYR A 84 -3.825 -8.450 -16.369 1.00 70.31 C ATOM 1336 CD2 TYR A 84 -4.203 -8.852 -14.052 1.00 61.13 C ATOM 1337 CE1 TYR A 84 -4.727 -7.405 -16.340 1.00 33.21 C ATOM 1338 CE2 TYR A 84 -5.106 -7.807 -14.017 1.00 1.15 C ATOM 1339 CZ TYR A 84 -5.365 -7.089 -15.162 1.00 74.15 C ATOM 1340 OH TYR A 84 -6.271 -6.053 -15.132 1.00 4.50 O ATOM 0 H TYR A 84 -3.536 -12.223 -13.966 1.00 23.45 H new ATOM 0 HA TYR A 84 -3.982 -11.327 -16.541 1.00 1.11 H new ATOM 0 HB2 TYR A 84 -2.254 -10.571 -14.252 1.00 61.31 H new ATOM 0 HB3 TYR A 84 -1.675 -10.014 -15.810 1.00 61.31 H new ATOM 0 HD1 TYR A 84 -3.326 -8.696 -17.295 1.00 70.31 H new ATOM 0 HD2 TYR A 84 -4.004 -9.414 -13.151 1.00 61.13 H new ATOM 0 HE1 TYR A 84 -4.931 -6.839 -17.237 1.00 33.21 H new ATOM 0 HE2 TYR A 84 -5.607 -7.554 -13.094 1.00 1.15 H new ATOM 0 HH TYR A 84 -6.633 -5.961 -14.226 1.00 4.50 H new ATOM 1350 N ASN A 85 -0.897 -12.493 -16.242 1.00 31.50 N ATOM 1351 CA ASN A 85 0.195 -13.109 -16.978 1.00 3.31 C ATOM 1352 C ASN A 85 1.233 -13.650 -16.010 1.00 13.03 C ATOM 1353 O ASN A 85 1.646 -12.965 -15.073 1.00 15.31 O ATOM 1354 CB ASN A 85 0.845 -12.119 -17.967 1.00 63.02 C ATOM 1355 CG ASN A 85 1.622 -10.999 -17.291 1.00 5.01 C ATOM 1356 OD1 ASN A 85 2.824 -11.123 -17.041 1.00 43.43 O ATOM 1357 ND2 ASN A 85 0.950 -9.891 -17.012 1.00 5.20 N ATOM 0 H ASN A 85 -0.689 -12.299 -15.263 1.00 31.50 H new ATOM 0 HA ASN A 85 -0.216 -13.933 -17.562 1.00 3.31 H new ATOM 0 HB2 ASN A 85 1.517 -12.668 -18.628 1.00 63.02 H new ATOM 0 HB3 ASN A 85 0.067 -11.683 -18.594 1.00 63.02 H new ATOM 0 HD21 ASN A 85 1.426 -9.102 -16.575 1.00 5.20 H new ATOM 0 HD22 ASN A 85 -0.043 -9.827 -17.234 1.00 5.20 H new ATOM 1364 N LYS A 86 1.638 -14.888 -16.222 1.00 50.43 N ATOM 1365 CA LYS A 86 2.658 -15.492 -15.385 1.00 42.14 C ATOM 1366 C LYS A 86 4.038 -15.097 -15.890 1.00 24.03 C ATOM 1367 O LYS A 86 5.044 -15.316 -15.218 1.00 3.35 O ATOM 1368 CB LYS A 86 2.504 -17.018 -15.349 1.00 70.22 C ATOM 1369 CG LYS A 86 3.560 -17.717 -14.503 1.00 72.41 C ATOM 1370 CD LYS A 86 3.236 -19.182 -14.284 1.00 62.41 C ATOM 1371 CE LYS A 86 2.017 -19.348 -13.398 1.00 71.22 C ATOM 1372 NZ LYS A 86 1.728 -20.778 -13.125 1.00 1.13 N ATOM 0 H LYS A 86 1.279 -15.492 -16.962 1.00 50.43 H new ATOM 0 HA LYS A 86 2.539 -15.125 -14.366 1.00 42.14 H new ATOM 0 HB2 LYS A 86 1.516 -17.266 -14.960 1.00 70.22 H new ATOM 0 HB3 LYS A 86 2.552 -17.404 -16.367 1.00 70.22 H new ATOM 0 HG2 LYS A 86 4.531 -17.630 -14.991 1.00 72.41 H new ATOM 0 HG3 LYS A 86 3.641 -17.216 -13.538 1.00 72.41 H new ATOM 0 HD2 LYS A 86 3.059 -19.665 -15.245 1.00 62.41 H new ATOM 0 HD3 LYS A 86 4.091 -19.682 -13.828 1.00 62.41 H new ATOM 0 HE2 LYS A 86 2.177 -18.823 -12.456 1.00 71.22 H new ATOM 0 HE3 LYS A 86 1.153 -18.887 -13.877 1.00 71.22 H new ATOM 0 HZ1 LYS A 86 0.888 -20.852 -12.516 1.00 1.13 H new ATOM 0 HZ2 LYS A 86 1.551 -21.274 -14.022 1.00 1.13 H new ATOM 0 HZ3 LYS A 86 2.543 -21.211 -12.645 1.00 1.13 H new ATOM 1386 N ASP A 87 4.066 -14.487 -17.069 1.00 12.21 N ATOM 1387 CA ASP A 87 5.310 -14.036 -17.680 1.00 75.30 C ATOM 1388 C ASP A 87 6.102 -13.171 -16.712 1.00 30.32 C ATOM 1389 O ASP A 87 7.205 -13.530 -16.309 1.00 50.42 O ATOM 1390 CB ASP A 87 5.031 -13.259 -18.967 1.00 2.14 C ATOM 1391 CG ASP A 87 4.479 -14.139 -20.067 1.00 61.25 C ATOM 1392 OD1 ASP A 87 5.281 -14.803 -20.758 1.00 35.23 O ATOM 1393 OD2 ASP A 87 3.242 -14.170 -20.248 1.00 31.35 O ATOM 0 H ASP A 87 3.233 -14.292 -17.625 1.00 12.21 H new ATOM 0 HA ASP A 87 5.902 -14.918 -17.926 1.00 75.30 H new ATOM 0 HB2 ASP A 87 4.323 -12.458 -18.757 1.00 2.14 H new ATOM 0 HB3 ASP A 87 5.952 -12.788 -19.310 1.00 2.14 H new ATOM 1398 N MET A 88 5.521 -12.049 -16.312 1.00 61.02 N ATOM 1399 CA MET A 88 6.173 -11.158 -15.360 1.00 74.22 C ATOM 1400 C MET A 88 6.266 -11.836 -13.995 1.00 62.41 C ATOM 1401 O MET A 88 7.224 -11.630 -13.252 1.00 53.11 O ATOM 1402 CB MET A 88 5.402 -9.832 -15.264 1.00 1.34 C ATOM 1403 CG MET A 88 6.065 -8.774 -14.386 1.00 40.35 C ATOM 1404 SD MET A 88 5.669 -8.946 -12.630 1.00 23.24 S ATOM 1405 CE MET A 88 3.890 -8.740 -12.667 1.00 20.10 C ATOM 0 H MET A 88 4.604 -11.734 -16.629 1.00 61.02 H new ATOM 0 HA MET A 88 7.183 -10.939 -15.705 1.00 74.22 H new ATOM 0 HB2 MET A 88 5.277 -9.426 -16.268 1.00 1.34 H new ATOM 0 HB3 MET A 88 4.404 -10.034 -14.875 1.00 1.34 H new ATOM 0 HG2 MET A 88 7.146 -8.832 -14.514 1.00 40.35 H new ATOM 0 HG3 MET A 88 5.756 -7.785 -14.725 1.00 40.35 H new ATOM 0 HE1 MET A 88 3.587 -8.054 -11.876 1.00 20.10 H new ATOM 0 HE2 MET A 88 3.591 -8.335 -13.634 1.00 20.10 H new ATOM 0 HE3 MET A 88 3.409 -9.706 -12.514 1.00 20.10 H new ATOM 1415 N TYR A 89 5.289 -12.694 -13.708 1.00 14.11 N ATOM 1416 CA TYR A 89 5.173 -13.358 -12.423 1.00 71.40 C ATOM 1417 C TYR A 89 6.355 -14.300 -12.147 1.00 71.03 C ATOM 1418 O TYR A 89 6.633 -14.631 -10.992 1.00 53.23 O ATOM 1419 CB TYR A 89 3.850 -14.119 -12.403 1.00 74.44 C ATOM 1420 CG TYR A 89 3.543 -14.799 -11.101 1.00 3.33 C ATOM 1421 CD1 TYR A 89 3.082 -14.078 -10.014 1.00 24.31 C ATOM 1422 CD2 TYR A 89 3.710 -16.164 -10.965 1.00 70.44 C ATOM 1423 CE1 TYR A 89 2.791 -14.702 -8.816 1.00 25.25 C ATOM 1424 CE2 TYR A 89 3.421 -16.801 -9.774 1.00 11.20 C ATOM 1425 CZ TYR A 89 2.963 -16.065 -8.702 1.00 12.31 C ATOM 1426 OH TYR A 89 2.674 -16.695 -7.513 1.00 52.32 O ATOM 0 H TYR A 89 4.554 -12.946 -14.369 1.00 14.11 H new ATOM 0 HA TYR A 89 5.193 -12.610 -11.631 1.00 71.40 H new ATOM 0 HB2 TYR A 89 3.042 -13.425 -12.635 1.00 74.44 H new ATOM 0 HB3 TYR A 89 3.864 -14.868 -13.195 1.00 74.44 H new ATOM 0 HD1 TYR A 89 2.947 -13.010 -10.103 1.00 24.31 H new ATOM 0 HD2 TYR A 89 4.072 -16.742 -11.803 1.00 70.44 H new ATOM 0 HE1 TYR A 89 2.432 -14.127 -7.976 1.00 25.25 H new ATOM 0 HE2 TYR A 89 3.553 -17.869 -9.683 1.00 11.20 H new ATOM 0 HH TYR A 89 2.848 -17.655 -7.601 1.00 52.32 H new ATOM 1436 N ASN A 90 7.045 -14.737 -13.198 1.00 22.23 N ATOM 1437 CA ASN A 90 8.236 -15.568 -13.019 1.00 11.14 C ATOM 1438 C ASN A 90 9.493 -14.844 -13.499 1.00 33.03 C ATOM 1439 O ASN A 90 10.614 -15.237 -13.172 1.00 52.53 O ATOM 1440 CB ASN A 90 8.099 -16.913 -13.745 1.00 13.41 C ATOM 1441 CG ASN A 90 8.345 -16.818 -15.235 1.00 52.01 C ATOM 1442 OD1 ASN A 90 9.466 -17.012 -15.709 1.00 51.41 O ATOM 1443 ND2 ASN A 90 7.306 -16.521 -15.985 1.00 11.23 N ATOM 0 H ASN A 90 6.806 -14.534 -14.169 1.00 22.23 H new ATOM 0 HA ASN A 90 8.331 -15.762 -11.951 1.00 11.14 H new ATOM 0 HB2 ASN A 90 8.802 -17.624 -13.313 1.00 13.41 H new ATOM 0 HB3 ASN A 90 7.098 -17.310 -13.574 1.00 13.41 H new ATOM 0 HD21 ASN A 90 7.412 -16.444 -16.997 1.00 11.23 H new ATOM 0 HD22 ASN A 90 6.394 -16.368 -15.555 1.00 11.23 H new ATOM 1450 N GLN A 91 9.300 -13.777 -14.264 1.00 30.20 N ATOM 1451 CA GLN A 91 10.413 -13.052 -14.871 1.00 12.14 C ATOM 1452 C GLN A 91 10.925 -11.947 -13.951 1.00 1.04 C ATOM 1453 O GLN A 91 12.084 -11.536 -14.052 1.00 70.31 O ATOM 1454 CB GLN A 91 9.973 -12.456 -16.209 1.00 60.40 C ATOM 1455 CG GLN A 91 11.105 -11.852 -17.024 1.00 52.00 C ATOM 1456 CD GLN A 91 10.622 -11.291 -18.344 1.00 55.32 C ATOM 1457 OE1 GLN A 91 10.245 -10.122 -18.435 1.00 34.40 O ATOM 1458 NE2 GLN A 91 10.630 -12.119 -19.374 1.00 33.45 N ATOM 0 H GLN A 91 8.380 -13.392 -14.480 1.00 30.20 H new ATOM 0 HA GLN A 91 11.228 -13.757 -15.035 1.00 12.14 H new ATOM 0 HB2 GLN A 91 9.490 -13.235 -16.800 1.00 60.40 H new ATOM 0 HB3 GLN A 91 9.224 -11.687 -16.023 1.00 60.40 H new ATOM 0 HG2 GLN A 91 11.583 -11.060 -16.448 1.00 52.00 H new ATOM 0 HG3 GLN A 91 11.863 -12.613 -17.210 1.00 52.00 H new ATOM 0 HE21 GLN A 91 10.951 -13.080 -19.254 1.00 33.45 H new ATOM 0 HE22 GLN A 91 10.316 -11.797 -20.289 1.00 33.45 H new ATOM 1467 N LEU A 92 10.062 -11.475 -13.054 1.00 31.32 N ATOM 1468 CA LEU A 92 10.420 -10.387 -12.138 1.00 43.33 C ATOM 1469 C LEU A 92 11.650 -10.748 -11.307 1.00 51.44 C ATOM 1470 O LEU A 92 12.402 -9.871 -10.880 1.00 74.35 O ATOM 1471 CB LEU A 92 9.244 -10.025 -11.211 1.00 45.01 C ATOM 1472 CG LEU A 92 9.048 -10.912 -9.970 1.00 23.12 C ATOM 1473 CD1 LEU A 92 7.974 -10.326 -9.065 1.00 32.12 C ATOM 1474 CD2 LEU A 92 8.683 -12.337 -10.356 1.00 34.11 C ATOM 0 H LEU A 92 9.111 -11.826 -12.940 1.00 31.32 H new ATOM 0 HA LEU A 92 10.657 -9.516 -12.749 1.00 43.33 H new ATOM 0 HB2 LEU A 92 9.378 -8.996 -10.877 1.00 45.01 H new ATOM 0 HB3 LEU A 92 8.326 -10.053 -11.798 1.00 45.01 H new ATOM 0 HG LEU A 92 9.995 -10.941 -9.431 1.00 23.12 H new ATOM 0 HD11 LEU A 92 7.846 -10.965 -8.191 1.00 32.12 H new ATOM 0 HD12 LEU A 92 8.273 -9.328 -8.745 1.00 32.12 H new ATOM 0 HD13 LEU A 92 7.032 -10.265 -9.610 1.00 32.12 H new ATOM 0 HD21 LEU A 92 8.552 -12.936 -9.455 1.00 34.11 H new ATOM 0 HD22 LEU A 92 7.755 -12.333 -10.927 1.00 34.11 H new ATOM 0 HD23 LEU A 92 9.481 -12.765 -10.963 1.00 34.11 H new ATOM 1486 N GLU A 93 11.853 -12.042 -11.093 1.00 13.03 N ATOM 1487 CA GLU A 93 13.010 -12.527 -10.368 1.00 4.20 C ATOM 1488 C GLU A 93 13.721 -13.598 -11.191 1.00 12.31 C ATOM 1489 O GLU A 93 13.543 -14.792 -10.962 1.00 4.33 O ATOM 1490 CB GLU A 93 12.593 -13.090 -9.006 1.00 71.32 C ATOM 1491 CG GLU A 93 13.763 -13.382 -8.077 1.00 24.21 C ATOM 1492 CD GLU A 93 13.330 -14.032 -6.778 1.00 13.00 C ATOM 1493 OE1 GLU A 93 12.645 -13.368 -5.969 1.00 3.34 O ATOM 1494 OE2 GLU A 93 13.676 -15.211 -6.561 1.00 71.02 O ATOM 0 H GLU A 93 11.223 -12.776 -11.416 1.00 13.03 H new ATOM 0 HA GLU A 93 13.694 -11.696 -10.198 1.00 4.20 H new ATOM 0 HB2 GLU A 93 11.923 -12.381 -8.520 1.00 71.32 H new ATOM 0 HB3 GLU A 93 12.026 -14.008 -9.161 1.00 71.32 H new ATOM 0 HG2 GLU A 93 14.472 -14.035 -8.586 1.00 24.21 H new ATOM 0 HG3 GLU A 93 14.287 -12.452 -7.856 1.00 24.21 H new ATOM 1501 N HIS A 94 14.477 -13.157 -12.190 1.00 14.24 N ATOM 1502 CA HIS A 94 15.271 -14.069 -13.009 1.00 63.11 C ATOM 1503 C HIS A 94 16.329 -14.754 -12.152 1.00 10.55 C ATOM 1504 O HIS A 94 17.171 -14.098 -11.536 1.00 40.13 O ATOM 1505 CB HIS A 94 15.905 -13.340 -14.211 1.00 64.21 C ATOM 1506 CG HIS A 94 16.586 -12.043 -13.881 1.00 53.51 C ATOM 1507 ND1 HIS A 94 17.955 -11.889 -13.839 1.00 63.13 N ATOM 1508 CD2 HIS A 94 16.066 -10.825 -13.598 1.00 30.41 C ATOM 1509 CE1 HIS A 94 18.246 -10.636 -13.542 1.00 41.32 C ATOM 1510 NE2 HIS A 94 17.118 -9.972 -13.393 1.00 33.44 N ATOM 0 H HIS A 94 14.558 -12.175 -12.453 1.00 14.24 H new ATOM 0 HA HIS A 94 14.608 -14.833 -13.415 1.00 63.11 H new ATOM 0 HB2 HIS A 94 16.631 -14.005 -14.678 1.00 64.21 H new ATOM 0 HB3 HIS A 94 15.128 -13.147 -14.950 1.00 64.21 H new ATOM 0 HD2 HIS A 94 15.017 -10.573 -13.544 1.00 30.41 H new ATOM 0 HE1 HIS A 94 19.240 -10.225 -13.439 1.00 41.32 H new ATOM 0 HE2 HIS A 94 17.040 -8.982 -13.162 1.00 33.44 H new ATOM 1519 N HIS A 95 16.277 -16.079 -12.122 1.00 42.21 N ATOM 1520 CA HIS A 95 17.044 -16.851 -11.153 1.00 41.15 C ATOM 1521 C HIS A 95 18.427 -17.206 -11.681 1.00 13.12 C ATOM 1522 O HIS A 95 18.609 -18.220 -12.357 1.00 63.53 O ATOM 1523 CB HIS A 95 16.299 -18.133 -10.768 1.00 61.34 C ATOM 1524 CG HIS A 95 14.914 -17.903 -10.247 1.00 10.05 C ATOM 1525 ND1 HIS A 95 14.646 -17.576 -8.937 1.00 31.32 N ATOM 1526 CD2 HIS A 95 13.714 -17.956 -10.872 1.00 11.41 C ATOM 1527 CE1 HIS A 95 13.344 -17.439 -8.778 1.00 21.52 C ATOM 1528 NE2 HIS A 95 12.755 -17.663 -9.935 1.00 44.51 N ATOM 0 H HIS A 95 15.712 -16.642 -12.758 1.00 42.21 H new ATOM 0 HA HIS A 95 17.165 -16.224 -10.270 1.00 41.15 H new ATOM 0 HB2 HIS A 95 16.244 -18.784 -11.640 1.00 61.34 H new ATOM 0 HB3 HIS A 95 16.877 -18.663 -10.011 1.00 61.34 H new ATOM 0 HD2 HIS A 95 13.543 -18.186 -11.913 1.00 11.41 H new ATOM 0 HE1 HIS A 95 12.845 -17.186 -7.855 1.00 21.52 H new ATOM 0 HE2 HIS A 95 11.750 -17.625 -10.106 1.00 44.51 H new ATOM 1537 N HIS A 96 19.392 -16.354 -11.381 1.00 31.05 N ATOM 1538 CA HIS A 96 20.789 -16.624 -11.695 1.00 21.01 C ATOM 1539 C HIS A 96 21.659 -16.265 -10.504 1.00 64.35 C ATOM 1540 O HIS A 96 21.764 -15.095 -10.129 1.00 52.15 O ATOM 1541 CB HIS A 96 21.251 -15.843 -12.928 1.00 32.42 C ATOM 1542 CG HIS A 96 20.738 -16.391 -14.224 1.00 30.22 C ATOM 1543 ND1 HIS A 96 20.198 -15.601 -15.214 1.00 44.23 N ATOM 1544 CD2 HIS A 96 20.700 -17.658 -14.698 1.00 10.54 C ATOM 1545 CE1 HIS A 96 19.849 -16.358 -16.236 1.00 32.11 C ATOM 1546 NE2 HIS A 96 20.142 -17.612 -15.951 1.00 54.50 N ATOM 0 H HIS A 96 19.233 -15.460 -10.916 1.00 31.05 H new ATOM 0 HA HIS A 96 20.885 -17.687 -11.917 1.00 21.01 H new ATOM 0 HB2 HIS A 96 20.928 -14.806 -12.831 1.00 32.42 H new ATOM 0 HB3 HIS A 96 22.341 -15.837 -12.954 1.00 32.42 H new ATOM 0 HD2 HIS A 96 21.045 -18.543 -14.184 1.00 10.54 H new ATOM 0 HE1 HIS A 96 19.398 -16.009 -17.153 1.00 32.11 H new ATOM 0 HE2 HIS A 96 19.981 -18.414 -16.560 1.00 54.50 H new ATOM 1555 N HIS A 97 22.280 -17.266 -9.910 1.00 10.03 N ATOM 1556 CA HIS A 97 23.073 -17.062 -8.714 1.00 33.42 C ATOM 1557 C HIS A 97 24.539 -16.850 -9.077 1.00 32.54 C ATOM 1558 O HIS A 97 25.272 -17.804 -9.333 1.00 51.31 O ATOM 1559 CB HIS A 97 22.916 -18.262 -7.771 1.00 42.35 C ATOM 1560 CG HIS A 97 23.500 -18.058 -6.405 1.00 45.44 C ATOM 1561 ND1 HIS A 97 22.767 -17.583 -5.338 1.00 52.43 N ATOM 1562 CD2 HIS A 97 24.747 -18.283 -5.931 1.00 52.33 C ATOM 1563 CE1 HIS A 97 23.540 -17.524 -4.270 1.00 73.14 C ATOM 1564 NE2 HIS A 97 24.743 -17.943 -4.603 1.00 32.10 N ATOM 0 H HIS A 97 22.250 -18.231 -10.238 1.00 10.03 H new ATOM 0 HA HIS A 97 22.717 -16.168 -8.202 1.00 33.42 H new ATOM 0 HB2 HIS A 97 21.855 -18.492 -7.669 1.00 42.35 H new ATOM 0 HB3 HIS A 97 23.388 -19.132 -8.228 1.00 42.35 H new ATOM 0 HD2 HIS A 97 25.588 -18.660 -6.494 1.00 52.33 H new ATOM 0 HE1 HIS A 97 23.237 -17.189 -3.289 1.00 73.14 H new ATOM 0 HE2 HIS A 97 25.543 -18.005 -3.974 1.00 32.10 H new ATOM 1573 N HIS A 98 24.957 -15.593 -9.122 1.00 33.43 N ATOM 1574 CA HIS A 98 26.354 -15.268 -9.383 1.00 51.31 C ATOM 1575 C HIS A 98 26.876 -14.328 -8.303 1.00 21.22 C ATOM 1576 O HIS A 98 26.118 -13.536 -7.742 1.00 5.13 O ATOM 1577 CB HIS A 98 26.543 -14.664 -10.791 1.00 75.14 C ATOM 1578 CG HIS A 98 26.019 -13.266 -10.978 1.00 54.22 C ATOM 1579 ND1 HIS A 98 24.864 -12.978 -11.674 1.00 34.24 N ATOM 1580 CD2 HIS A 98 26.527 -12.069 -10.597 1.00 41.54 C ATOM 1581 CE1 HIS A 98 24.687 -11.670 -11.712 1.00 34.40 C ATOM 1582 NE2 HIS A 98 25.682 -11.094 -11.066 1.00 43.04 N ATOM 0 H HIS A 98 24.352 -14.784 -8.982 1.00 33.43 H new ATOM 0 HA HIS A 98 26.934 -16.191 -9.354 1.00 51.31 H new ATOM 0 HB2 HIS A 98 27.607 -14.668 -11.028 1.00 75.14 H new ATOM 0 HB3 HIS A 98 26.053 -15.316 -11.514 1.00 75.14 H new ATOM 0 HD2 HIS A 98 27.431 -11.911 -10.028 1.00 41.54 H new ATOM 0 HE1 HIS A 98 23.866 -11.158 -12.191 1.00 34.40 H new ATOM 0 HE2 HIS A 98 25.804 -10.090 -10.936 1.00 43.04 H new ATOM 1591 N HIS A 99 28.162 -14.425 -8.010 1.00 71.11 N ATOM 1592 CA HIS A 99 28.771 -13.631 -6.947 1.00 70.42 C ATOM 1593 C HIS A 99 30.204 -13.263 -7.313 1.00 14.11 C ATOM 1594 O HIS A 99 30.657 -13.564 -8.418 1.00 41.14 O ATOM 1595 CB HIS A 99 28.733 -14.388 -5.606 1.00 72.45 C ATOM 1596 CG HIS A 99 29.575 -15.634 -5.560 1.00 63.41 C ATOM 1597 ND1 HIS A 99 30.428 -15.925 -4.519 1.00 74.31 N ATOM 1598 CD2 HIS A 99 29.675 -16.675 -6.423 1.00 52.54 C ATOM 1599 CE1 HIS A 99 31.017 -17.082 -4.743 1.00 3.33 C ATOM 1600 NE2 HIS A 99 30.579 -17.561 -5.892 1.00 43.51 N ATOM 0 H HIS A 99 28.810 -15.047 -8.493 1.00 71.11 H new ATOM 0 HA HIS A 99 28.195 -12.713 -6.834 1.00 70.42 H new ATOM 0 HB2 HIS A 99 29.063 -13.714 -4.815 1.00 72.45 H new ATOM 0 HB3 HIS A 99 27.700 -14.656 -5.386 1.00 72.45 H new ATOM 0 HD2 HIS A 99 29.142 -16.786 -7.356 1.00 52.54 H new ATOM 0 HE1 HIS A 99 31.738 -17.559 -4.095 1.00 3.33 H new ATOM 0 HE2 HIS A 99 30.865 -18.444 -6.316 1.00 43.51 H new TER 1609 HIS A 99