USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 587 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 46 HIS :FLIP no HE2:sc= -0.68 F(o=-1.9,f=-0.67) USER MOD Set 1.2: A 50 TYR OH : rot 88:sc= 0.00864 USER MOD Single : A 10 ASN : amide:sc= -3.83! C(o=-3.8!,f=-10!) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -0.175 X(o=-0.17,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0.175 K(o=0.18,f=-2.9!) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.138 X(o=-0.14,f=0) USER MOD Single : A 37 TYR OH : rot 93:sc= -0.503 USER MOD Single : A 38 GLN : amide:sc= -0.174 X(o=-0.17,f=-0.47) USER MOD Single : A 39 HIS : no HD1:sc= -0.155 X(o=-0.15,f=-0.044) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 148:sc= -0.216 (180deg=-0.919) USER MOD Single : A 53 GLN :FLIP amide:sc= -0.653 F(o=-1.5,f=-0.65) USER MOD Single : A 56 LYS NZ :NH3+ -151:sc= -0.0888 (180deg=-0.566) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -0.217 K(o=-0.22,f=-2.6!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 CYS SG : rot 160:sc= -1.56 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 30:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0299) USER MOD Single : A 78 TYR OH : rot 122:sc= -0.554 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 10 -1.189 13.347 3.231 1.00 43.50 N ATOM 2 CA ASN A 10 -0.419 12.181 2.815 1.00 73.50 C ATOM 3 C ASN A 10 -0.959 10.912 3.469 1.00 12.40 C ATOM 4 O ASN A 10 -0.930 9.835 2.874 1.00 51.30 O ATOM 5 CB ASN A 10 1.057 12.364 3.172 1.00 1.42 C ATOM 6 CG ASN A 10 1.254 12.787 4.615 1.00 3.35 C ATOM 7 OD1 ASN A 10 0.745 12.149 5.536 1.00 20.50 O ATOM 8 ND2 ASN A 10 1.997 13.869 4.817 1.00 75.40 N ATOM 0 HA ASN A 10 -0.514 12.081 1.734 1.00 73.50 H new ATOM 0 HB2 ASN A 10 1.590 11.430 2.994 1.00 1.42 H new ATOM 0 HB3 ASN A 10 1.497 13.113 2.513 1.00 1.42 H new ATOM 0 HD21 ASN A 10 2.165 14.202 5.766 1.00 75.40 H new ATOM 0 HD22 ASN A 10 2.399 14.367 4.023 1.00 75.40 H new ATOM 15 N LEU A 11 -1.451 11.048 4.696 1.00 75.10 N ATOM 16 CA LEU A 11 -1.997 9.913 5.431 1.00 23.30 C ATOM 17 C LEU A 11 -3.315 9.452 4.818 1.00 5.13 C ATOM 18 O LEU A 11 -3.548 8.255 4.649 1.00 25.30 O ATOM 19 CB LEU A 11 -2.206 10.283 6.900 1.00 0.32 C ATOM 20 CG LEU A 11 -2.648 9.129 7.802 1.00 2.41 C ATOM 21 CD1 LEU A 11 -1.439 8.388 8.352 1.00 3.15 C ATOM 22 CD2 LEU A 11 -3.521 9.644 8.935 1.00 61.20 C ATOM 0 H LEU A 11 -1.483 11.933 5.202 1.00 75.10 H new ATOM 0 HA LEU A 11 -1.281 9.093 5.369 1.00 23.30 H new ATOM 0 HB2 LEU A 11 -1.275 10.694 7.291 1.00 0.32 H new ATOM 0 HB3 LEU A 11 -2.953 11.075 6.957 1.00 0.32 H new ATOM 0 HG LEU A 11 -3.235 8.431 7.206 1.00 2.41 H new ATOM 0 HD11 LEU A 11 -1.773 7.571 8.991 1.00 3.15 H new ATOM 0 HD12 LEU A 11 -0.852 7.986 7.526 1.00 3.15 H new ATOM 0 HD13 LEU A 11 -0.824 9.075 8.933 1.00 3.15 H new ATOM 0 HD21 LEU A 11 -3.827 8.810 9.567 1.00 61.20 H new ATOM 0 HD22 LEU A 11 -2.958 10.363 9.530 1.00 61.20 H new ATOM 0 HD23 LEU A 11 -4.405 10.129 8.521 1.00 61.20 H new ATOM 34 N GLN A 12 -4.175 10.410 4.487 1.00 2.13 N ATOM 35 CA GLN A 12 -5.471 10.102 3.893 1.00 72.50 C ATOM 36 C GLN A 12 -5.301 9.362 2.571 1.00 54.40 C ATOM 37 O GLN A 12 -6.134 8.535 2.199 1.00 4.33 O ATOM 38 CB GLN A 12 -6.272 11.387 3.673 1.00 71.10 C ATOM 39 CG GLN A 12 -7.763 11.151 3.497 1.00 55.40 C ATOM 40 CD GLN A 12 -8.491 12.377 2.980 1.00 54.40 C ATOM 41 OE1 GLN A 12 -8.285 12.802 1.843 1.00 22.20 O ATOM 42 NE2 GLN A 12 -9.347 12.953 3.816 1.00 10.40 N ATOM 0 H GLN A 12 -3.998 11.406 4.620 1.00 2.13 H new ATOM 0 HA GLN A 12 -6.015 9.456 4.582 1.00 72.50 H new ATOM 0 HB2 GLN A 12 -6.116 12.053 4.522 1.00 71.10 H new ATOM 0 HB3 GLN A 12 -5.887 11.899 2.791 1.00 71.10 H new ATOM 0 HG2 GLN A 12 -7.917 10.323 2.805 1.00 55.40 H new ATOM 0 HG3 GLN A 12 -8.195 10.852 4.452 1.00 55.40 H new ATOM 0 HE21 GLN A 12 -9.486 12.567 4.750 1.00 10.40 H new ATOM 0 HE22 GLN A 12 -9.865 13.782 3.525 1.00 10.40 H new ATOM 51 N LYS A 13 -4.217 9.664 1.864 1.00 13.40 N ATOM 52 CA LYS A 13 -3.937 9.027 0.583 1.00 43.30 C ATOM 53 C LYS A 13 -3.476 7.587 0.780 1.00 61.00 C ATOM 54 O LYS A 13 -3.783 6.710 -0.027 1.00 2.55 O ATOM 55 CB LYS A 13 -2.872 9.816 -0.181 1.00 73.30 C ATOM 56 CG LYS A 13 -2.568 9.251 -1.559 1.00 41.10 C ATOM 57 CD LYS A 13 -3.713 9.499 -2.527 1.00 1.43 C ATOM 58 CE LYS A 13 -3.208 9.699 -3.947 1.00 63.10 C ATOM 59 NZ LYS A 13 -4.122 9.091 -4.953 1.00 30.20 N ATOM 0 H LYS A 13 -3.518 10.346 2.157 1.00 13.40 H new ATOM 0 HA LYS A 13 -4.859 9.018 0.002 1.00 43.30 H new ATOM 0 HB2 LYS A 13 -3.203 10.849 -0.286 1.00 73.30 H new ATOM 0 HB3 LYS A 13 -1.954 9.833 0.406 1.00 73.30 H new ATOM 0 HG2 LYS A 13 -1.657 9.706 -1.947 1.00 41.10 H new ATOM 0 HG3 LYS A 13 -2.381 8.180 -1.481 1.00 41.10 H new ATOM 0 HD2 LYS A 13 -4.403 8.655 -2.500 1.00 1.43 H new ATOM 0 HD3 LYS A 13 -4.273 10.379 -2.212 1.00 1.43 H new ATOM 0 HE2 LYS A 13 -3.104 10.765 -4.148 1.00 63.10 H new ATOM 0 HE3 LYS A 13 -2.216 9.258 -4.045 1.00 63.10 H new ATOM 0 HZ1 LYS A 13 -3.742 9.249 -5.908 1.00 30.20 H new ATOM 0 HZ2 LYS A 13 -4.201 8.069 -4.777 1.00 30.20 H new ATOM 0 HZ3 LYS A 13 -5.062 9.529 -4.878 1.00 30.20 H new ATOM 73 N ALA A 14 -2.737 7.350 1.859 1.00 21.50 N ATOM 74 CA ALA A 14 -2.234 6.016 2.163 1.00 62.30 C ATOM 75 C ALA A 14 -3.371 5.073 2.539 1.00 74.20 C ATOM 76 O ALA A 14 -3.348 3.889 2.200 1.00 5.43 O ATOM 77 CB ALA A 14 -1.208 6.082 3.284 1.00 14.20 C ATOM 0 H ALA A 14 -2.473 8.065 2.537 1.00 21.50 H new ATOM 0 HA ALA A 14 -1.753 5.623 1.267 1.00 62.30 H new ATOM 0 HB1 ALA A 14 -0.841 5.079 3.501 1.00 14.20 H new ATOM 0 HB2 ALA A 14 -0.375 6.715 2.978 1.00 14.20 H new ATOM 0 HB3 ALA A 14 -1.672 6.499 4.178 1.00 14.20 H new ATOM 83 N ILE A 15 -4.366 5.604 3.242 1.00 55.40 N ATOM 84 CA ILE A 15 -5.513 4.810 3.664 1.00 40.20 C ATOM 85 C ILE A 15 -6.487 4.594 2.511 1.00 40.10 C ATOM 86 O ILE A 15 -7.013 3.497 2.326 1.00 34.50 O ATOM 87 CB ILE A 15 -6.260 5.478 4.834 1.00 72.20 C ATOM 88 CG1 ILE A 15 -5.275 5.892 5.928 1.00 44.00 C ATOM 89 CG2 ILE A 15 -7.318 4.539 5.393 1.00 73.40 C ATOM 90 CD1 ILE A 15 -5.853 6.876 6.921 1.00 65.10 C ATOM 0 H ILE A 15 -4.401 6.581 3.531 1.00 55.40 H new ATOM 0 HA ILE A 15 -5.125 3.846 3.994 1.00 40.20 H new ATOM 0 HB ILE A 15 -6.758 6.374 4.463 1.00 72.20 H new ATOM 0 HG12 ILE A 15 -4.943 5.002 6.462 1.00 44.00 H new ATOM 0 HG13 ILE A 15 -4.393 6.333 5.464 1.00 44.00 H new ATOM 0 HG21 ILE A 15 -7.837 5.026 6.219 1.00 73.40 H new ATOM 0 HG22 ILE A 15 -8.035 4.291 4.610 1.00 73.40 H new ATOM 0 HG23 ILE A 15 -6.842 3.626 5.751 1.00 73.40 H new ATOM 0 HD11 ILE A 15 -5.099 7.125 7.668 1.00 65.10 H new ATOM 0 HD12 ILE A 15 -6.159 7.782 6.399 1.00 65.10 H new ATOM 0 HD13 ILE A 15 -6.718 6.431 7.413 1.00 65.10 H new ATOM 102 N ASP A 16 -6.723 5.649 1.738 1.00 13.10 N ATOM 103 CA ASP A 16 -7.635 5.576 0.602 1.00 41.10 C ATOM 104 C ASP A 16 -7.156 4.543 -0.413 1.00 51.40 C ATOM 105 O ASP A 16 -7.942 3.738 -0.913 1.00 62.10 O ATOM 106 CB ASP A 16 -7.760 6.945 -0.067 1.00 13.00 C ATOM 107 CG ASP A 16 -9.101 7.135 -0.749 1.00 0.22 C ATOM 108 OD1 ASP A 16 -9.633 6.147 -1.297 1.00 12.10 O ATOM 109 OD2 ASP A 16 -9.618 8.271 -0.736 1.00 60.30 O ATOM 0 H ASP A 16 -6.295 6.565 1.877 1.00 13.10 H new ATOM 0 HA ASP A 16 -8.614 5.270 0.972 1.00 41.10 H new ATOM 0 HB2 ASP A 16 -7.622 7.726 0.681 1.00 13.00 H new ATOM 0 HB3 ASP A 16 -6.962 7.062 -0.801 1.00 13.00 H new ATOM 114 N LEU A 17 -5.862 4.571 -0.714 1.00 12.10 N ATOM 115 CA LEU A 17 -5.278 3.637 -1.669 1.00 43.00 C ATOM 116 C LEU A 17 -5.175 2.238 -1.070 1.00 60.10 C ATOM 117 O LEU A 17 -5.311 1.238 -1.775 1.00 41.30 O ATOM 118 CB LEU A 17 -3.894 4.120 -2.107 1.00 12.10 C ATOM 119 CG LEU A 17 -3.899 5.262 -3.125 1.00 21.10 C ATOM 120 CD1 LEU A 17 -2.687 6.159 -2.925 1.00 13.20 C ATOM 121 CD2 LEU A 17 -3.928 4.710 -4.542 1.00 71.20 C ATOM 0 H LEU A 17 -5.198 5.231 -0.310 1.00 12.10 H new ATOM 0 HA LEU A 17 -5.932 3.592 -2.540 1.00 43.00 H new ATOM 0 HB2 LEU A 17 -3.342 4.443 -1.224 1.00 12.10 H new ATOM 0 HB3 LEU A 17 -3.349 3.277 -2.532 1.00 12.10 H new ATOM 0 HG LEU A 17 -4.797 5.860 -2.970 1.00 21.10 H new ATOM 0 HD11 LEU A 17 -2.707 6.966 -3.658 1.00 13.20 H new ATOM 0 HD12 LEU A 17 -2.708 6.581 -1.920 1.00 13.20 H new ATOM 0 HD13 LEU A 17 -1.776 5.574 -3.054 1.00 13.20 H new ATOM 0 HD21 LEU A 17 -3.931 5.535 -5.254 1.00 71.20 H new ATOM 0 HD22 LEU A 17 -3.047 4.090 -4.709 1.00 71.20 H new ATOM 0 HD23 LEU A 17 -4.826 4.108 -4.680 1.00 71.20 H new ATOM 133 N ALA A 18 -4.935 2.176 0.236 1.00 64.10 N ATOM 134 CA ALA A 18 -4.814 0.900 0.931 1.00 3.31 C ATOM 135 C ALA A 18 -6.141 0.150 0.936 1.00 40.10 C ATOM 136 O ALA A 18 -6.193 -1.043 0.638 1.00 71.30 O ATOM 137 CB ALA A 18 -4.324 1.119 2.354 1.00 21.40 C ATOM 0 H ALA A 18 -4.821 2.994 0.834 1.00 64.10 H new ATOM 0 HA ALA A 18 -4.085 0.291 0.397 1.00 3.31 H new ATOM 0 HB1 ALA A 18 -4.238 0.158 2.861 1.00 21.40 H new ATOM 0 HB2 ALA A 18 -3.349 1.606 2.332 1.00 21.40 H new ATOM 0 HB3 ALA A 18 -5.033 1.750 2.890 1.00 21.40 H new ATOM 143 N SER A 19 -7.214 0.858 1.276 1.00 12.50 N ATOM 144 CA SER A 19 -8.542 0.259 1.320 1.00 44.10 C ATOM 145 C SER A 19 -8.942 -0.279 -0.050 1.00 55.10 C ATOM 146 O SER A 19 -9.406 -1.413 -0.171 1.00 15.00 O ATOM 147 CB SER A 19 -9.572 1.285 1.798 1.00 74.30 C ATOM 148 OG SER A 19 -9.447 1.522 3.190 1.00 35.20 O ATOM 0 H SER A 19 -7.189 1.847 1.525 1.00 12.50 H new ATOM 0 HA SER A 19 -8.514 -0.573 2.024 1.00 44.10 H new ATOM 0 HB2 SER A 19 -9.439 2.220 1.253 1.00 74.30 H new ATOM 0 HB3 SER A 19 -10.577 0.927 1.576 1.00 74.30 H new ATOM 0 HG SER A 19 -10.115 2.182 3.471 1.00 35.20 H new ATOM 154 N LYS A 20 -8.760 0.542 -1.079 1.00 75.10 N ATOM 155 CA LYS A 20 -9.102 0.148 -2.440 1.00 50.30 C ATOM 156 C LYS A 20 -8.300 -1.076 -2.870 1.00 1.14 C ATOM 157 O LYS A 20 -8.829 -1.981 -3.515 1.00 63.40 O ATOM 158 CB LYS A 20 -8.845 1.305 -3.408 1.00 23.00 C ATOM 159 CG LYS A 20 -10.000 2.281 -3.510 1.00 43.20 C ATOM 160 CD LYS A 20 -10.900 1.953 -4.691 1.00 25.40 C ATOM 161 CE LYS A 20 -10.300 2.427 -6.002 1.00 65.10 C ATOM 162 NZ LYS A 20 -11.150 2.078 -7.168 1.00 21.40 N ATOM 0 H LYS A 20 -8.378 1.484 -0.996 1.00 75.10 H new ATOM 0 HA LYS A 20 -10.161 -0.107 -2.462 1.00 50.30 H new ATOM 0 HB2 LYS A 20 -7.953 1.843 -3.088 1.00 23.00 H new ATOM 0 HB3 LYS A 20 -8.635 0.899 -4.398 1.00 23.00 H new ATOM 0 HG2 LYS A 20 -10.582 2.256 -2.589 1.00 43.20 H new ATOM 0 HG3 LYS A 20 -9.614 3.295 -3.615 1.00 43.20 H new ATOM 0 HD2 LYS A 20 -11.066 0.877 -4.735 1.00 25.40 H new ATOM 0 HD3 LYS A 20 -11.874 2.420 -4.547 1.00 25.40 H new ATOM 0 HE2 LYS A 20 -10.162 3.508 -5.966 1.00 65.10 H new ATOM 0 HE3 LYS A 20 -9.313 1.983 -6.129 1.00 65.10 H new ATOM 0 HZ1 LYS A 20 -10.700 2.422 -8.041 1.00 21.40 H new ATOM 0 HZ2 LYS A 20 -11.262 1.045 -7.219 1.00 21.40 H new ATOM 0 HZ3 LYS A 20 -12.084 2.522 -7.062 1.00 21.40 H new ATOM 176 N ALA A 21 -7.021 -1.097 -2.508 1.00 22.40 N ATOM 177 CA ALA A 21 -6.147 -2.210 -2.856 1.00 41.20 C ATOM 178 C ALA A 21 -6.665 -3.519 -2.271 1.00 1.15 C ATOM 179 O ALA A 21 -6.756 -4.529 -2.968 1.00 35.20 O ATOM 180 CB ALA A 21 -4.730 -1.938 -2.374 1.00 52.50 C ATOM 0 H ALA A 21 -6.568 -0.356 -1.974 1.00 22.40 H new ATOM 0 HA ALA A 21 -6.138 -2.307 -3.942 1.00 41.20 H new ATOM 0 HB1 ALA A 21 -4.088 -2.777 -2.640 1.00 52.50 H new ATOM 0 HB2 ALA A 21 -4.354 -1.029 -2.844 1.00 52.50 H new ATOM 0 HB3 ALA A 21 -4.732 -1.812 -1.291 1.00 52.50 H new ATOM 186 N ALA A 22 -7.004 -3.493 -0.986 1.00 53.00 N ATOM 187 CA ALA A 22 -7.513 -4.678 -0.307 1.00 21.30 C ATOM 188 C ALA A 22 -8.813 -5.159 -0.942 1.00 54.20 C ATOM 189 O ALA A 22 -9.068 -6.360 -1.026 1.00 41.10 O ATOM 190 CB ALA A 22 -7.721 -4.389 1.172 1.00 32.10 C ATOM 0 H ALA A 22 -6.935 -2.665 -0.395 1.00 53.00 H new ATOM 0 HA ALA A 22 -6.774 -5.472 -0.411 1.00 21.30 H new ATOM 0 HB1 ALA A 22 -8.101 -5.282 1.667 1.00 32.10 H new ATOM 0 HB2 ALA A 22 -6.772 -4.100 1.623 1.00 32.10 H new ATOM 0 HB3 ALA A 22 -8.439 -3.577 1.287 1.00 32.10 H new ATOM 196 N GLN A 23 -9.633 -4.212 -1.387 1.00 55.30 N ATOM 197 CA GLN A 23 -10.900 -4.539 -2.015 1.00 34.10 C ATOM 198 C GLN A 23 -10.700 -4.979 -3.462 1.00 11.30 C ATOM 199 O GLN A 23 -11.420 -5.837 -3.967 1.00 53.30 O ATOM 200 CB GLN A 23 -11.850 -3.335 -1.963 1.00 34.20 C ATOM 201 CG GLN A 23 -12.680 -3.273 -0.697 1.00 33.10 C ATOM 202 CD GLN A 23 -14.090 -3.799 -0.905 1.00 2.55 C ATOM 203 OE1 GLN A 23 -15.060 -3.215 -0.423 1.00 12.40 O ATOM 204 NE2 GLN A 23 -14.210 -4.909 -1.624 1.00 22.50 N ATOM 0 H GLN A 23 -9.439 -3.213 -1.322 1.00 55.30 H new ATOM 0 HA GLN A 23 -11.342 -5.368 -1.462 1.00 34.10 H new ATOM 0 HB2 GLN A 23 -11.267 -2.418 -2.051 1.00 34.20 H new ATOM 0 HB3 GLN A 23 -12.517 -3.372 -2.824 1.00 34.20 H new ATOM 0 HG2 GLN A 23 -12.190 -3.853 0.085 1.00 33.10 H new ATOM 0 HG3 GLN A 23 -12.727 -2.242 -0.346 1.00 33.10 H new ATOM 0 HE21 GLN A 23 -13.379 -5.362 -2.006 1.00 22.50 H new ATOM 0 HE22 GLN A 23 -15.133 -5.309 -1.795 1.00 22.50 H new ATOM 213 N GLU A 24 -9.717 -4.384 -4.122 1.00 41.10 N ATOM 214 CA GLU A 24 -9.419 -4.714 -5.511 1.00 11.50 C ATOM 215 C GLU A 24 -8.955 -6.161 -5.639 1.00 4.41 C ATOM 216 O GLU A 24 -9.477 -6.921 -6.455 1.00 43.40 O ATOM 217 CB GLU A 24 -8.347 -3.772 -6.063 1.00 34.10 C ATOM 218 CG GLU A 24 -8.874 -2.389 -6.411 1.00 4.42 C ATOM 219 CD GLU A 24 -9.595 -2.359 -7.744 1.00 3.21 C ATOM 220 OE1 GLU A 24 -8.916 -2.445 -8.789 1.00 54.30 O ATOM 221 OE2 GLU A 24 -10.830 -2.249 -7.743 1.00 54.10 O ATOM 0 H GLU A 24 -9.111 -3.669 -3.719 1.00 41.10 H new ATOM 0 HA GLU A 24 -10.334 -4.592 -6.091 1.00 11.50 H new ATOM 0 HB2 GLU A 24 -7.548 -3.673 -5.328 1.00 34.10 H new ATOM 0 HB3 GLU A 24 -7.906 -4.219 -6.954 1.00 34.10 H new ATOM 0 HG2 GLU A 24 -9.554 -2.055 -5.627 1.00 4.42 H new ATOM 0 HG3 GLU A 24 -8.044 -1.683 -6.435 1.00 4.42 H new ATOM 228 N ASP A 25 -7.972 -6.536 -4.827 1.00 11.10 N ATOM 229 CA ASP A 25 -7.438 -7.892 -4.849 1.00 3.41 C ATOM 230 C ASP A 25 -8.524 -8.911 -4.519 1.00 23.50 C ATOM 231 O ASP A 25 -8.717 -9.885 -5.246 1.00 42.10 O ATOM 232 CB ASP A 25 -6.281 -8.023 -3.857 1.00 40.10 C ATOM 233 CG ASP A 25 -5.348 -9.167 -4.204 1.00 63.40 C ATOM 234 OD1 ASP A 25 -5.114 -9.397 -5.409 1.00 24.40 O ATOM 235 OD2 ASP A 25 -4.850 -9.831 -3.271 1.00 22.20 O ATOM 0 H ASP A 25 -7.529 -5.919 -4.146 1.00 11.10 H new ATOM 0 HA ASP A 25 -7.070 -8.094 -5.855 1.00 3.41 H new ATOM 0 HB2 ASP A 25 -5.716 -7.091 -3.837 1.00 40.10 H new ATOM 0 HB3 ASP A 25 -6.681 -8.175 -2.855 1.00 40.10 H new ATOM 240 N LYS A 26 -9.231 -8.678 -3.417 1.00 32.10 N ATOM 241 CA LYS A 26 -10.290 -9.575 -2.990 1.00 22.00 C ATOM 242 C LYS A 26 -11.400 -9.649 -4.042 1.00 44.10 C ATOM 243 O LYS A 26 -12.030 -10.680 -4.215 1.00 65.40 O ATOM 244 CB LYS A 26 -10.880 -9.109 -1.656 1.00 41.40 C ATOM 245 CG LYS A 26 -10.170 -9.694 -0.445 1.00 2.51 C ATOM 246 CD LYS A 26 -10.830 -10.980 0.021 1.00 2.14 C ATOM 247 CE LYS A 26 -9.893 -11.820 0.858 1.00 21.10 C ATOM 248 NZ LYS A 26 -10.600 -12.540 1.948 1.00 44.10 N ATOM 0 H LYS A 26 -9.087 -7.874 -2.806 1.00 32.10 H new ATOM 0 HA LYS A 26 -9.857 -10.568 -2.865 1.00 22.00 H new ATOM 0 HB2 LYS A 26 -10.832 -8.021 -1.606 1.00 41.40 H new ATOM 0 HB3 LYS A 26 -11.934 -9.383 -1.618 1.00 41.40 H new ATOM 0 HG2 LYS A 26 -9.127 -9.889 -0.693 1.00 2.51 H new ATOM 0 HG3 LYS A 26 -10.174 -8.967 0.367 1.00 2.51 H new ATOM 0 HD2 LYS A 26 -11.721 -10.742 0.602 1.00 2.14 H new ATOM 0 HD3 LYS A 26 -11.158 -11.555 -0.845 1.00 2.14 H new ATOM 0 HE2 LYS A 26 -9.387 -12.542 0.218 1.00 21.10 H new ATOM 0 HE3 LYS A 26 -9.122 -11.181 1.289 1.00 21.10 H new ATOM 0 HZ1 LYS A 26 -9.916 -13.102 2.494 1.00 44.10 H new ATOM 0 HZ2 LYS A 26 -11.062 -11.852 2.576 1.00 44.10 H new ATOM 0 HZ3 LYS A 26 -11.318 -13.171 1.538 1.00 44.10 H new ATOM 262 N ALA A 27 -11.610 -8.541 -4.743 1.00 1.33 N ATOM 263 CA ALA A 27 -12.640 -8.480 -5.779 1.00 72.50 C ATOM 264 C ALA A 27 -12.210 -9.246 -7.024 1.00 43.00 C ATOM 265 O ALA A 27 -13.040 -9.799 -7.744 1.00 2.55 O ATOM 266 CB ALA A 27 -12.950 -7.032 -6.129 1.00 31.20 C ATOM 0 H ALA A 27 -11.085 -7.676 -4.616 1.00 1.33 H new ATOM 0 HA ALA A 27 -13.543 -8.950 -5.389 1.00 72.50 H new ATOM 0 HB1 ALA A 27 -13.718 -7.001 -6.901 1.00 31.20 H new ATOM 0 HB2 ALA A 27 -13.307 -6.511 -5.241 1.00 31.20 H new ATOM 0 HB3 ALA A 27 -12.047 -6.545 -6.496 1.00 31.20 H new ATOM 272 N GLY A 28 -10.900 -9.276 -7.271 1.00 44.10 N ATOM 273 CA GLY A 28 -10.380 -9.978 -8.431 1.00 25.10 C ATOM 274 C GLY A 28 -9.257 -9.225 -9.107 1.00 50.10 C ATOM 275 O GLY A 28 -8.382 -9.830 -9.726 1.00 4.50 O ATOM 0 H GLY A 28 -10.193 -8.827 -6.689 1.00 44.10 H new ATOM 0 HA2 GLY A 28 -10.022 -10.961 -8.126 1.00 25.10 H new ATOM 0 HA3 GLY A 28 -11.187 -10.140 -9.146 1.00 25.10 H new ATOM 279 N ASN A 29 -9.278 -7.901 -8.990 1.00 34.30 N ATOM 280 CA ASN A 29 -8.249 -7.064 -9.596 1.00 11.20 C ATOM 281 C ASN A 29 -6.948 -7.142 -8.804 1.00 61.20 C ATOM 282 O ASN A 29 -6.847 -6.603 -7.702 1.00 22.30 O ATOM 283 CB ASN A 29 -8.724 -5.613 -9.676 1.00 2.23 C ATOM 284 CG ASN A 29 -10.080 -5.485 -10.340 1.00 12.20 C ATOM 285 OD1 ASN A 29 -10.670 -6.477 -10.760 1.00 14.10 O ATOM 286 ND2 ASN A 29 -10.580 -4.258 -10.430 1.00 12.50 N ATOM 0 H ASN A 29 -9.996 -7.385 -8.481 1.00 34.30 H new ATOM 0 HA ASN A 29 -8.063 -7.434 -10.604 1.00 11.20 H new ATOM 0 HB2 ASN A 29 -8.774 -5.194 -8.671 1.00 2.23 H new ATOM 0 HB3 ASN A 29 -7.994 -5.024 -10.231 1.00 2.23 H new ATOM 0 HD21 ASN A 29 -11.492 -4.109 -10.863 1.00 12.50 H new ATOM 0 HD22 ASN A 29 -10.052 -3.464 -10.066 1.00 12.50 H new ATOM 293 N TYR A 30 -5.954 -7.817 -9.373 1.00 33.20 N ATOM 294 CA TYR A 30 -4.659 -7.966 -8.720 1.00 52.40 C ATOM 295 C TYR A 30 -3.681 -6.899 -9.201 1.00 21.40 C ATOM 296 O TYR A 30 -2.918 -6.341 -8.413 1.00 10.20 O ATOM 297 CB TYR A 30 -4.085 -9.358 -8.988 1.00 4.01 C ATOM 298 CG TYR A 30 -4.646 -10.430 -8.080 1.00 12.10 C ATOM 299 CD1 TYR A 30 -6.003 -10.470 -7.786 1.00 14.10 C ATOM 300 CD2 TYR A 30 -3.818 -11.390 -7.518 1.00 41.20 C ATOM 301 CE1 TYR A 30 -6.518 -11.450 -6.956 1.00 62.40 C ATOM 302 CE2 TYR A 30 -4.326 -12.370 -6.688 1.00 23.00 C ATOM 303 CZ TYR A 30 -5.676 -12.400 -6.410 1.00 33.20 C ATOM 304 OH TYR A 30 -6.186 -13.370 -5.585 1.00 1.42 O ATOM 0 H TYR A 30 -6.021 -8.269 -10.285 1.00 33.20 H new ATOM 0 HA TYR A 30 -4.806 -7.842 -7.647 1.00 52.40 H new ATOM 0 HB2 TYR A 30 -4.284 -9.631 -10.024 1.00 4.01 H new ATOM 0 HB3 TYR A 30 -3.002 -9.324 -8.870 1.00 4.01 H new ATOM 0 HD1 TYR A 30 -6.663 -9.728 -8.210 1.00 14.10 H new ATOM 0 HD2 TYR A 30 -2.760 -11.371 -7.733 1.00 41.20 H new ATOM 0 HE1 TYR A 30 -7.575 -11.472 -6.736 1.00 62.40 H new ATOM 0 HE2 TYR A 30 -3.668 -13.111 -6.258 1.00 23.00 H new ATOM 0 HH TYR A 30 -5.462 -13.960 -5.287 1.00 1.42 H new ATOM 314 N GLU A 31 -3.709 -6.622 -10.500 1.00 23.30 N ATOM 315 CA GLU A 31 -2.825 -5.622 -11.080 1.00 21.20 C ATOM 316 C GLU A 31 -3.059 -4.252 -10.450 1.00 4.12 C ATOM 317 O GLU A 31 -2.127 -3.619 -9.962 1.00 33.40 O ATOM 318 CB GLU A 31 -3.041 -5.547 -12.600 1.00 0.40 C ATOM 319 CG GLU A 31 -1.748 -5.485 -13.390 1.00 72.30 C ATOM 320 CD GLU A 31 -1.824 -4.512 -14.550 1.00 13.10 C ATOM 321 OE1 GLU A 31 -1.703 -3.292 -14.310 1.00 72.10 O ATOM 322 OE2 GLU A 31 -2.003 -4.970 -15.700 1.00 45.30 O ATOM 0 H GLU A 31 -4.333 -7.075 -11.168 1.00 23.30 H new ATOM 0 HA GLU A 31 -1.796 -5.918 -10.877 1.00 21.20 H new ATOM 0 HB2 GLU A 31 -3.613 -6.417 -12.922 1.00 0.40 H new ATOM 0 HB3 GLU A 31 -3.642 -4.667 -12.831 1.00 0.40 H new ATOM 0 HG2 GLU A 31 -0.934 -5.192 -12.727 1.00 72.30 H new ATOM 0 HG3 GLU A 31 -1.509 -6.479 -13.768 1.00 72.30 H new ATOM 329 N GLU A 32 -4.308 -3.799 -10.480 1.00 34.20 N ATOM 330 CA GLU A 32 -4.664 -2.504 -9.918 1.00 54.10 C ATOM 331 C GLU A 32 -4.394 -2.475 -8.417 1.00 31.50 C ATOM 332 O GLU A 32 -3.917 -1.475 -7.881 1.00 60.00 O ATOM 333 CB GLU A 32 -6.137 -2.193 -10.180 1.00 12.00 C ATOM 334 CG GLU A 32 -6.440 -0.705 -10.260 1.00 23.40 C ATOM 335 CD GLU A 32 -6.230 -0.141 -11.650 1.00 73.30 C ATOM 336 OE1 GLU A 32 -5.176 -0.429 -12.260 1.00 54.10 O ATOM 337 OE2 GLU A 32 -7.120 0.589 -12.140 1.00 53.30 O ATOM 0 H GLU A 32 -5.090 -4.311 -10.888 1.00 34.20 H new ATOM 0 HA GLU A 32 -4.048 -1.746 -10.402 1.00 54.10 H new ATOM 0 HB2 GLU A 32 -6.439 -2.668 -11.113 1.00 12.00 H new ATOM 0 HB3 GLU A 32 -6.740 -2.636 -9.387 1.00 12.00 H new ATOM 0 HG2 GLU A 32 -7.471 -0.531 -9.954 1.00 23.40 H new ATOM 0 HG3 GLU A 32 -5.804 -0.170 -9.555 1.00 23.40 H new ATOM 344 N ALA A 33 -4.701 -3.579 -7.744 1.00 63.20 N ATOM 345 CA ALA A 33 -4.491 -3.681 -6.305 1.00 12.40 C ATOM 346 C ALA A 33 -3.006 -3.651 -5.964 1.00 4.01 C ATOM 347 O ALA A 33 -2.603 -3.086 -4.946 1.00 12.40 O ATOM 348 CB ALA A 33 -5.133 -4.951 -5.767 1.00 25.10 C ATOM 0 H ALA A 33 -5.096 -4.416 -8.173 1.00 63.20 H new ATOM 0 HA ALA A 33 -4.963 -2.820 -5.832 1.00 12.40 H new ATOM 0 HB1 ALA A 33 -4.968 -5.014 -4.691 1.00 25.10 H new ATOM 0 HB2 ALA A 33 -6.204 -4.931 -5.970 1.00 25.10 H new ATOM 0 HB3 ALA A 33 -4.687 -5.818 -6.254 1.00 25.10 H new ATOM 354 N LEU A 34 -2.195 -4.262 -6.821 1.00 33.10 N ATOM 355 CA LEU A 34 -0.752 -4.306 -6.610 1.00 53.40 C ATOM 356 C LEU A 34 -0.166 -2.898 -6.568 1.00 63.30 C ATOM 357 O LEU A 34 0.573 -2.550 -5.647 1.00 5.25 O ATOM 358 CB LEU A 34 -0.078 -5.119 -7.717 1.00 42.20 C ATOM 359 CG LEU A 34 1.447 -5.195 -7.627 1.00 52.30 C ATOM 360 CD1 LEU A 34 1.869 -6.083 -6.467 1.00 42.00 C ATOM 361 CD2 LEU A 34 2.031 -5.709 -8.934 1.00 12.50 C ATOM 0 H LEU A 34 -2.512 -4.734 -7.668 1.00 33.10 H new ATOM 0 HA LEU A 34 -0.564 -4.787 -5.650 1.00 53.40 H new ATOM 0 HB2 LEU A 34 -0.479 -6.132 -7.698 1.00 42.20 H new ATOM 0 HB3 LEU A 34 -0.349 -4.687 -8.680 1.00 42.20 H new ATOM 0 HG LEU A 34 1.833 -4.191 -7.448 1.00 52.30 H new ATOM 0 HD11 LEU A 34 2.957 -6.125 -6.418 1.00 42.00 H new ATOM 0 HD12 LEU A 34 1.480 -5.673 -5.535 1.00 42.00 H new ATOM 0 HD13 LEU A 34 1.473 -7.088 -6.615 1.00 42.00 H new ATOM 0 HD21 LEU A 34 3.117 -5.757 -8.853 1.00 12.50 H new ATOM 0 HD22 LEU A 34 1.638 -6.704 -9.142 1.00 12.50 H new ATOM 0 HD23 LEU A 34 1.757 -5.034 -9.745 1.00 12.50 H new ATOM 373 N GLN A 35 -0.500 -2.093 -7.571 1.00 71.10 N ATOM 374 CA GLN A 35 -0.007 -0.723 -7.648 1.00 2.21 C ATOM 375 C GLN A 35 -0.506 0.103 -6.467 1.00 4.13 C ATOM 376 O GLN A 35 0.175 1.018 -6.005 1.00 72.10 O ATOM 377 CB GLN A 35 -0.447 -0.074 -8.962 1.00 2.21 C ATOM 378 CG GLN A 35 -1.956 -0.021 -9.139 1.00 31.40 C ATOM 379 CD GLN A 35 -2.384 0.974 -10.190 1.00 2.33 C ATOM 380 OE1 GLN A 35 -3.361 1.702 -10.020 1.00 43.50 O ATOM 381 NE2 GLN A 35 -1.652 1.010 -11.300 1.00 53.50 N ATOM 0 H GLN A 35 -1.110 -2.366 -8.342 1.00 71.10 H new ATOM 0 HA GLN A 35 1.082 -0.753 -7.612 1.00 2.21 H new ATOM 0 HB2 GLN A 35 -0.048 0.939 -9.008 1.00 2.21 H new ATOM 0 HB3 GLN A 35 -0.011 -0.627 -9.794 1.00 2.21 H new ATOM 0 HG2 GLN A 35 -2.321 -1.011 -9.412 1.00 31.40 H new ATOM 0 HG3 GLN A 35 -2.420 0.239 -8.188 1.00 31.40 H new ATOM 0 HE21 GLN A 35 -0.849 0.389 -11.402 1.00 53.50 H new ATOM 0 HE22 GLN A 35 -1.894 1.658 -12.049 1.00 53.50 H new ATOM 390 N LEU A 36 -1.699 -0.227 -5.984 1.00 33.40 N ATOM 391 CA LEU A 36 -2.290 0.484 -4.856 1.00 72.40 C ATOM 392 C LEU A 36 -1.588 0.116 -3.553 1.00 24.40 C ATOM 393 O LEU A 36 -1.360 0.970 -2.696 1.00 30.30 O ATOM 394 CB LEU A 36 -3.783 0.167 -4.752 1.00 43.10 C ATOM 395 CG LEU A 36 -4.632 0.652 -5.928 1.00 70.30 C ATOM 396 CD1 LEU A 36 -5.905 -0.172 -6.043 1.00 41.50 C ATOM 397 CD2 LEU A 36 -4.963 2.129 -5.771 1.00 31.30 C ATOM 0 H LEU A 36 -2.275 -0.982 -6.356 1.00 33.40 H new ATOM 0 HA LEU A 36 -2.164 1.553 -5.026 1.00 72.40 H new ATOM 0 HB2 LEU A 36 -3.904 -0.912 -4.657 1.00 43.10 H new ATOM 0 HB3 LEU A 36 -4.170 0.613 -3.836 1.00 43.10 H new ATOM 0 HG LEU A 36 -4.057 0.523 -6.845 1.00 70.30 H new ATOM 0 HD11 LEU A 36 -6.496 0.188 -6.885 1.00 41.50 H new ATOM 0 HD12 LEU A 36 -5.647 -1.219 -6.201 1.00 41.50 H new ATOM 0 HD13 LEU A 36 -6.485 -0.076 -5.125 1.00 41.50 H new ATOM 0 HD21 LEU A 36 -5.568 2.458 -6.616 1.00 31.30 H new ATOM 0 HD22 LEU A 36 -5.519 2.281 -4.846 1.00 31.30 H new ATOM 0 HD23 LEU A 36 -4.040 2.707 -5.738 1.00 31.30 H new ATOM 409 N TYR A 37 -1.248 -1.161 -3.410 1.00 54.30 N ATOM 410 CA TYR A 37 -0.571 -1.642 -2.211 1.00 23.20 C ATOM 411 C TYR A 37 0.767 -0.936 -2.021 1.00 55.50 C ATOM 412 O TYR A 37 1.124 -0.548 -0.909 1.00 74.10 O ATOM 413 CB TYR A 37 -0.357 -3.154 -2.293 1.00 70.40 C ATOM 414 CG TYR A 37 -1.631 -3.956 -2.152 1.00 65.40 C ATOM 415 CD1 TYR A 37 -2.542 -3.676 -1.142 1.00 34.30 C ATOM 416 CD2 TYR A 37 -1.923 -4.992 -3.031 1.00 54.00 C ATOM 417 CE1 TYR A 37 -3.708 -4.407 -1.010 1.00 1.41 C ATOM 418 CE2 TYR A 37 -3.087 -5.727 -2.905 1.00 1.13 C ATOM 419 CZ TYR A 37 -3.975 -5.430 -1.894 1.00 1.14 C ATOM 420 OH TYR A 37 -5.135 -6.160 -1.766 1.00 4.44 O ATOM 0 H TYR A 37 -1.430 -1.881 -4.109 1.00 54.30 H new ATOM 0 HA TYR A 37 -1.204 -1.418 -1.352 1.00 23.20 H new ATOM 0 HB2 TYR A 37 0.110 -3.395 -3.248 1.00 70.40 H new ATOM 0 HB3 TYR A 37 0.341 -3.456 -1.512 1.00 70.40 H new ATOM 0 HD1 TYR A 37 -2.336 -2.874 -0.448 1.00 34.30 H new ATOM 0 HD2 TYR A 37 -1.230 -5.227 -3.825 1.00 54.00 H new ATOM 0 HE1 TYR A 37 -4.406 -4.178 -0.218 1.00 1.41 H new ATOM 0 HE2 TYR A 37 -3.299 -6.530 -3.595 1.00 1.13 H new ATOM 0 HH TYR A 37 -5.835 -5.763 -2.326 1.00 4.44 H new ATOM 430 N GLN A 38 1.505 -0.774 -3.115 1.00 55.40 N ATOM 431 CA GLN A 38 2.805 -0.114 -3.069 1.00 4.10 C ATOM 432 C GLN A 38 2.651 1.371 -2.757 1.00 43.30 C ATOM 433 O GLN A 38 3.427 1.937 -1.987 1.00 34.00 O ATOM 434 CB GLN A 38 3.539 -0.295 -4.399 1.00 23.30 C ATOM 435 CG GLN A 38 3.811 -1.748 -4.751 1.00 14.50 C ATOM 436 CD GLN A 38 4.527 -1.901 -6.079 1.00 22.10 C ATOM 437 OE1 GLN A 38 5.362 -1.075 -6.447 1.00 50.30 O ATOM 438 NE2 GLN A 38 4.202 -2.963 -6.807 1.00 42.40 N ATOM 0 H GLN A 38 1.225 -1.090 -4.043 1.00 55.40 H new ATOM 0 HA GLN A 38 3.391 -0.574 -2.273 1.00 4.10 H new ATOM 0 HB2 GLN A 38 2.948 0.159 -5.195 1.00 23.30 H new ATOM 0 HB3 GLN A 38 4.486 0.244 -4.358 1.00 23.30 H new ATOM 0 HG2 GLN A 38 4.412 -2.203 -3.964 1.00 14.50 H new ATOM 0 HG3 GLN A 38 2.867 -2.292 -4.786 1.00 14.50 H new ATOM 0 HE21 GLN A 38 3.504 -3.623 -6.463 1.00 42.40 H new ATOM 0 HE22 GLN A 38 4.650 -3.119 -7.710 1.00 42.40 H new ATOM 447 N HIS A 39 1.645 1.996 -3.360 1.00 15.30 N ATOM 448 CA HIS A 39 1.389 3.415 -3.146 1.00 60.10 C ATOM 449 C HIS A 39 1.093 3.699 -1.677 1.00 10.30 C ATOM 450 O HIS A 39 1.603 4.663 -1.106 1.00 62.30 O ATOM 451 CB HIS A 39 0.218 3.880 -4.014 1.00 1.53 C ATOM 452 CG HIS A 39 0.634 4.379 -5.363 1.00 4.53 C ATOM 453 ND1 HIS A 39 -0.222 5.040 -6.218 1.00 62.40 N ATOM 454 CD2 HIS A 39 1.826 4.312 -6.004 1.00 45.30 C ATOM 455 CE1 HIS A 39 0.424 5.356 -7.327 1.00 32.40 C ATOM 456 NE2 HIS A 39 1.667 4.927 -7.221 1.00 2.02 N ATOM 0 H HIS A 39 0.994 1.542 -4.001 1.00 15.30 H new ATOM 0 HA HIS A 39 2.285 3.967 -3.431 1.00 60.10 H new ATOM 0 HB2 HIS A 39 -0.480 3.053 -4.141 1.00 1.53 H new ATOM 0 HB3 HIS A 39 -0.318 4.672 -3.492 1.00 1.53 H new ATOM 0 HD2 HIS A 39 2.732 3.859 -5.628 1.00 45.30 H new ATOM 0 HE1 HIS A 39 0.005 5.877 -8.176 1.00 32.40 H new ATOM 0 HE2 HIS A 39 2.393 5.035 -7.929 1.00 2.02 H new ATOM 465 N ALA A 40 0.264 2.855 -1.072 1.00 22.50 N ATOM 466 CA ALA A 40 -0.100 3.015 0.331 1.00 65.00 C ATOM 467 C ALA A 40 1.131 2.954 1.228 1.00 42.40 C ATOM 468 O ALA A 40 1.262 3.732 2.173 1.00 10.40 O ATOM 469 CB ALA A 40 -1.106 1.950 0.739 1.00 23.30 C ATOM 0 H ALA A 40 -0.168 2.053 -1.531 1.00 22.50 H new ATOM 0 HA ALA A 40 -0.557 3.997 0.453 1.00 65.00 H new ATOM 0 HB1 ALA A 40 -1.369 2.081 1.789 1.00 23.30 H new ATOM 0 HB2 ALA A 40 -2.002 2.042 0.126 1.00 23.30 H new ATOM 0 HB3 ALA A 40 -0.668 0.962 0.595 1.00 23.30 H new ATOM 475 N VAL A 41 2.032 2.024 0.926 1.00 52.10 N ATOM 476 CA VAL A 41 3.253 1.862 1.706 1.00 12.30 C ATOM 477 C VAL A 41 4.157 3.082 1.569 1.00 24.10 C ATOM 478 O VAL A 41 4.840 3.471 2.517 1.00 23.10 O ATOM 479 CB VAL A 41 4.035 0.606 1.273 1.00 12.40 C ATOM 480 CG1 VAL A 41 5.219 0.367 2.197 1.00 43.30 C ATOM 481 CG2 VAL A 41 3.120 -0.610 1.242 1.00 50.20 C ATOM 0 H VAL A 41 1.939 1.372 0.147 1.00 52.10 H new ATOM 0 HA VAL A 41 2.951 1.751 2.747 1.00 12.30 H new ATOM 0 HB VAL A 41 4.418 0.770 0.266 1.00 12.40 H new ATOM 0 HG11 VAL A 41 5.758 -0.524 1.875 1.00 43.30 H new ATOM 0 HG12 VAL A 41 5.887 1.228 2.162 1.00 43.30 H new ATOM 0 HG13 VAL A 41 4.862 0.226 3.217 1.00 43.30 H new ATOM 0 HG21 VAL A 41 3.690 -1.487 0.934 1.00 50.20 H new ATOM 0 HG22 VAL A 41 2.704 -0.778 2.236 1.00 50.20 H new ATOM 0 HG23 VAL A 41 2.309 -0.437 0.534 1.00 50.20 H new ATOM 491 N GLN A 42 4.156 3.684 0.384 1.00 15.40 N ATOM 492 CA GLN A 42 4.976 4.861 0.124 1.00 42.10 C ATOM 493 C GLN A 42 4.518 6.042 0.974 1.00 2.14 C ATOM 494 O GLN A 42 5.328 6.702 1.624 1.00 43.30 O ATOM 495 CB GLN A 42 4.916 5.232 -1.359 1.00 63.50 C ATOM 496 CG GLN A 42 5.936 4.495 -2.212 1.00 55.10 C ATOM 497 CD GLN A 42 6.405 5.314 -3.398 1.00 1.11 C ATOM 498 OE1 GLN A 42 5.607 5.966 -4.072 1.00 74.20 O ATOM 499 NE2 GLN A 42 7.706 5.286 -3.660 1.00 44.00 N ATOM 0 H GLN A 42 3.596 3.376 -0.411 1.00 15.40 H new ATOM 0 HA GLN A 42 6.005 4.622 0.391 1.00 42.10 H new ATOM 0 HB2 GLN A 42 3.916 5.020 -1.738 1.00 63.50 H new ATOM 0 HB3 GLN A 42 5.075 6.305 -1.463 1.00 63.50 H new ATOM 0 HG2 GLN A 42 6.795 4.229 -1.596 1.00 55.10 H new ATOM 0 HG3 GLN A 42 5.499 3.562 -2.569 1.00 55.10 H new ATOM 0 HE21 GLN A 42 8.332 4.732 -3.076 1.00 44.00 H new ATOM 0 HE22 GLN A 42 8.080 5.818 -4.446 1.00 44.00 H new ATOM 508 N TYR A 43 3.215 6.302 0.963 1.00 33.40 N ATOM 509 CA TYR A 43 2.649 7.403 1.734 1.00 64.10 C ATOM 510 C TYR A 43 2.700 7.105 3.228 1.00 31.40 C ATOM 511 O TYR A 43 2.963 7.992 4.040 1.00 1.04 O ATOM 512 CB TYR A 43 1.205 7.665 1.303 1.00 20.30 C ATOM 513 CG TYR A 43 1.064 8.030 -0.158 1.00 71.40 C ATOM 514 CD1 TYR A 43 1.558 9.234 -0.643 1.00 62.30 C ATOM 515 CD2 TYR A 43 0.438 7.170 -1.051 1.00 32.40 C ATOM 516 CE1 TYR A 43 1.431 9.571 -1.977 1.00 34.10 C ATOM 517 CE2 TYR A 43 0.308 7.499 -2.386 1.00 3.10 C ATOM 518 CZ TYR A 43 0.805 8.701 -2.845 1.00 23.10 C ATOM 519 OH TYR A 43 0.677 9.032 -4.174 1.00 64.30 O ATOM 0 H TYR A 43 2.531 5.766 0.429 1.00 33.40 H new ATOM 0 HA TYR A 43 3.246 8.294 1.540 1.00 64.10 H new ATOM 0 HB2 TYR A 43 0.608 6.776 1.506 1.00 20.30 H new ATOM 0 HB3 TYR A 43 0.794 8.471 1.911 1.00 20.30 H new ATOM 0 HD1 TYR A 43 2.049 9.918 0.033 1.00 62.30 H new ATOM 0 HD2 TYR A 43 0.046 6.228 -0.696 1.00 32.40 H new ATOM 0 HE1 TYR A 43 1.820 10.511 -2.338 1.00 34.10 H new ATOM 0 HE2 TYR A 43 -0.181 6.818 -3.067 1.00 3.10 H new ATOM 0 HH TYR A 43 0.213 8.310 -4.648 1.00 64.30 H new ATOM 529 N PHE A 44 2.448 5.849 3.585 1.00 64.40 N ATOM 530 CA PHE A 44 2.466 5.433 4.982 1.00 4.42 C ATOM 531 C PHE A 44 3.839 5.667 5.602 1.00 23.20 C ATOM 532 O PHE A 44 3.967 6.369 6.606 1.00 63.20 O ATOM 533 CB PHE A 44 2.085 3.957 5.101 1.00 45.40 C ATOM 534 CG PHE A 44 0.604 3.726 5.213 1.00 73.40 C ATOM 535 CD1 PHE A 44 -0.154 4.443 6.125 1.00 31.20 C ATOM 536 CD2 PHE A 44 -0.027 2.792 4.408 1.00 21.00 C ATOM 537 CE1 PHE A 44 -1.516 4.233 6.230 1.00 2.52 C ATOM 538 CE2 PHE A 44 -1.389 2.578 4.509 1.00 44.10 C ATOM 539 CZ PHE A 44 -2.134 3.299 5.421 1.00 65.10 C ATOM 0 H PHE A 44 2.229 5.102 2.926 1.00 64.40 H new ATOM 0 HA PHE A 44 1.736 6.035 5.523 1.00 4.42 H new ATOM 0 HB2 PHE A 44 2.463 3.421 4.230 1.00 45.40 H new ATOM 0 HB3 PHE A 44 2.578 3.532 5.976 1.00 45.40 H new ATOM 0 HD1 PHE A 44 0.325 5.174 6.760 1.00 31.20 H new ATOM 0 HD2 PHE A 44 0.551 2.225 3.694 1.00 21.00 H new ATOM 0 HE1 PHE A 44 -2.097 4.798 6.944 1.00 2.52 H new ATOM 0 HE2 PHE A 44 -1.870 1.848 3.875 1.00 44.10 H new ATOM 0 HZ PHE A 44 -3.198 3.133 5.502 1.00 65.10 H new ATOM 549 N LEU A 45 4.864 5.076 4.998 1.00 60.20 N ATOM 550 CA LEU A 45 6.229 5.220 5.491 1.00 20.30 C ATOM 551 C LEU A 45 6.659 6.684 5.482 1.00 2.01 C ATOM 552 O LEU A 45 7.450 7.114 6.322 1.00 72.10 O ATOM 553 CB LEU A 45 7.192 4.388 4.641 1.00 75.20 C ATOM 554 CG LEU A 45 6.933 2.881 4.658 1.00 2.43 C ATOM 555 CD1 LEU A 45 7.882 2.166 3.709 1.00 45.00 C ATOM 556 CD2 LEU A 45 7.074 2.333 6.070 1.00 70.20 C ATOM 0 H LEU A 45 4.776 4.493 4.166 1.00 60.20 H new ATOM 0 HA LEU A 45 6.257 4.858 6.519 1.00 20.30 H new ATOM 0 HB2 LEU A 45 7.139 4.739 3.610 1.00 75.20 H new ATOM 0 HB3 LEU A 45 8.209 4.570 4.988 1.00 75.20 H new ATOM 0 HG LEU A 45 5.912 2.702 4.320 1.00 2.43 H new ATOM 0 HD11 LEU A 45 7.683 1.095 3.734 1.00 45.00 H new ATOM 0 HD12 LEU A 45 7.733 2.539 2.696 1.00 45.00 H new ATOM 0 HD13 LEU A 45 8.911 2.351 4.016 1.00 45.00 H new ATOM 0 HD21 LEU A 45 6.886 1.259 6.064 1.00 70.20 H new ATOM 0 HD22 LEU A 45 8.083 2.523 6.435 1.00 70.20 H new ATOM 0 HD23 LEU A 45 6.353 2.824 6.724 1.00 70.20 H new ATOM 568 N HIS A 46 6.133 7.444 4.527 1.00 72.40 N ATOM 569 CA HIS A 46 6.463 8.859 4.409 1.00 22.20 C ATOM 570 C HIS A 46 6.065 9.618 5.671 1.00 70.30 C ATOM 571 O HIS A 46 6.761 10.539 6.099 1.00 73.00 O ATOM 572 CB HIS A 46 5.763 9.467 3.192 1.00 1.11 C ATOM 573 CG HIS A 46 6.165 10.883 2.916 1.00 72.40 C ATOM 574 ND1 HIS A 46 5.631 12.054 3.335 1.00 40.40 N flip ATOM 575 CD2 HIS A 46 7.239 11.218 2.118 1.00 65.50 C flip ATOM 576 CE1 HIS A 46 6.384 13.064 2.789 1.00 31.20 C flip ATOM 577 NE2 HIS A 46 7.348 12.533 2.060 1.00 62.20 N flip ATOM 0 H HIS A 46 5.477 7.104 3.824 1.00 72.40 H new ATOM 0 HA HIS A 46 7.542 8.945 4.280 1.00 22.20 H new ATOM 0 HB2 HIS A 46 5.982 8.858 2.315 1.00 1.11 H new ATOM 0 HB3 HIS A 46 4.685 9.427 3.346 1.00 1.11 H new ATOM 0 HD1 HIS A 46 4.820 12.165 3.943 1.00 40.40 H new ATOM 0 HD2 HIS A 46 7.889 10.515 1.619 1.00 65.50 H new ATOM 0 HE1 HIS A 46 6.215 14.121 2.933 1.00 31.20 H new ATOM 586 N VAL A 47 4.941 9.225 6.262 1.00 62.40 N ATOM 587 CA VAL A 47 4.451 9.867 7.475 1.00 72.10 C ATOM 588 C VAL A 47 5.224 9.392 8.700 1.00 33.20 C ATOM 589 O VAL A 47 5.574 10.187 9.572 1.00 54.40 O ATOM 590 CB VAL A 47 2.951 9.591 7.691 1.00 33.10 C ATOM 591 CG1 VAL A 47 2.413 10.426 8.842 1.00 43.10 C ATOM 592 CG2 VAL A 47 2.169 9.862 6.414 1.00 1.44 C ATOM 0 H VAL A 47 4.353 8.465 5.920 1.00 62.40 H new ATOM 0 HA VAL A 47 4.601 10.939 7.347 1.00 72.10 H new ATOM 0 HB VAL A 47 2.828 8.539 7.949 1.00 33.10 H new ATOM 0 HG11 VAL A 47 1.352 10.217 8.979 1.00 43.10 H new ATOM 0 HG12 VAL A 47 2.953 10.177 9.756 1.00 43.10 H new ATOM 0 HG13 VAL A 47 2.548 11.484 8.618 1.00 43.10 H new ATOM 0 HG21 VAL A 47 1.111 9.662 6.586 1.00 1.44 H new ATOM 0 HG22 VAL A 47 2.298 10.904 6.122 1.00 1.44 H new ATOM 0 HG23 VAL A 47 2.536 9.214 5.618 1.00 1.44 H new ATOM 602 N VAL A 48 5.488 8.091 8.759 1.00 73.10 N ATOM 603 CA VAL A 48 6.221 7.510 9.877 1.00 54.40 C ATOM 604 C VAL A 48 7.663 8.004 9.905 1.00 5.44 C ATOM 605 O VAL A 48 8.199 8.327 10.965 1.00 23.20 O ATOM 606 CB VAL A 48 6.219 5.971 9.812 1.00 65.20 C ATOM 607 CG1 VAL A 48 6.811 5.381 11.082 1.00 53.20 C ATOM 608 CG2 VAL A 48 4.810 5.448 9.577 1.00 33.40 C ATOM 0 H VAL A 48 5.205 7.419 8.045 1.00 73.10 H new ATOM 0 HA VAL A 48 5.713 7.828 10.787 1.00 54.40 H new ATOM 0 HB VAL A 48 6.841 5.661 8.972 1.00 65.20 H new ATOM 0 HG11 VAL A 48 6.801 4.293 11.017 1.00 53.20 H new ATOM 0 HG12 VAL A 48 7.838 5.728 11.200 1.00 53.20 H new ATOM 0 HG13 VAL A 48 6.220 5.699 11.941 1.00 53.20 H new ATOM 0 HG21 VAL A 48 4.829 4.359 9.534 1.00 33.40 H new ATOM 0 HG22 VAL A 48 4.162 5.768 10.393 1.00 33.40 H new ATOM 0 HG23 VAL A 48 4.428 5.842 8.635 1.00 33.40 H new ATOM 618 N LYS A 49 8.287 8.060 8.733 1.00 13.10 N ATOM 619 CA LYS A 49 9.668 8.516 8.623 1.00 74.20 C ATOM 620 C LYS A 49 9.772 10.011 8.907 1.00 14.30 C ATOM 621 O LYS A 49 10.727 10.468 9.534 1.00 45.40 O ATOM 622 CB LYS A 49 10.219 8.209 7.229 1.00 64.50 C ATOM 623 CG LYS A 49 11.688 7.819 7.228 1.00 34.00 C ATOM 624 CD LYS A 49 12.390 8.299 5.968 1.00 62.50 C ATOM 625 CE LYS A 49 13.140 9.599 6.210 1.00 12.30 C ATOM 626 NZ LYS A 49 14.186 9.450 7.260 1.00 4.43 N ATOM 0 H LYS A 49 7.858 7.795 7.846 1.00 13.10 H new ATOM 0 HA LYS A 49 10.261 7.982 9.366 1.00 74.20 H new ATOM 0 HB2 LYS A 49 9.637 7.400 6.787 1.00 64.50 H new ATOM 0 HB3 LYS A 49 10.083 9.084 6.593 1.00 64.50 H new ATOM 0 HG2 LYS A 49 12.179 8.244 8.104 1.00 34.00 H new ATOM 0 HG3 LYS A 49 11.778 6.736 7.306 1.00 34.00 H new ATOM 0 HD2 LYS A 49 13.087 7.534 5.624 1.00 62.50 H new ATOM 0 HD3 LYS A 49 11.657 8.443 5.174 1.00 62.50 H new ATOM 0 HE2 LYS A 49 13.603 9.929 5.280 1.00 12.30 H new ATOM 0 HE3 LYS A 49 12.435 10.375 6.508 1.00 12.30 H new ATOM 0 HZ1 LYS A 49 14.984 10.083 7.048 1.00 4.43 H new ATOM 0 HZ2 LYS A 49 13.785 9.697 8.187 1.00 4.43 H new ATOM 0 HZ3 LYS A 49 14.521 8.466 7.279 1.00 4.43 H new ATOM 640 N TYR A 50 8.784 10.766 8.440 1.00 25.10 N ATOM 641 CA TYR A 50 8.764 12.210 8.644 1.00 2.22 C ATOM 642 C TYR A 50 8.240 12.557 10.033 1.00 13.10 C ATOM 643 O TYR A 50 8.985 13.039 10.887 1.00 62.10 O ATOM 644 CB TYR A 50 7.901 12.885 7.577 1.00 31.10 C ATOM 645 CG TYR A 50 8.575 12.989 6.227 1.00 55.20 C ATOM 646 CD1 TYR A 50 9.114 11.866 5.611 1.00 64.50 C ATOM 647 CD2 TYR A 50 8.673 14.209 5.570 1.00 64.10 C ATOM 648 CE1 TYR A 50 9.732 11.957 4.378 1.00 23.20 C ATOM 649 CE2 TYR A 50 9.288 14.307 4.336 1.00 73.10 C ATOM 650 CZ TYR A 50 9.816 13.179 3.745 1.00 24.30 C ATOM 651 OH TYR A 50 10.430 13.273 2.517 1.00 35.20 O ATOM 0 H TYR A 50 7.987 10.403 7.918 1.00 25.10 H new ATOM 0 HA TYR A 50 9.787 12.577 8.560 1.00 2.22 H new ATOM 0 HB2 TYR A 50 6.971 12.326 7.467 1.00 31.10 H new ATOM 0 HB3 TYR A 50 7.633 13.885 7.918 1.00 31.10 H new ATOM 0 HD1 TYR A 50 9.049 10.907 6.103 1.00 64.50 H new ATOM 0 HD2 TYR A 50 8.262 15.095 6.031 1.00 64.10 H new ATOM 0 HE1 TYR A 50 10.147 11.075 3.913 1.00 23.20 H new ATOM 0 HE2 TYR A 50 9.355 15.263 3.837 1.00 73.10 H new ATOM 0 HH TYR A 50 9.773 13.106 1.809 1.00 35.20 H new ATOM 661 N GLU A 51 6.953 12.308 10.253 1.00 51.20 N ATOM 662 CA GLU A 51 6.328 12.594 11.539 1.00 15.00 C ATOM 663 C GLU A 51 4.945 11.957 11.626 1.00 45.10 C ATOM 664 O GLU A 51 3.975 12.478 11.075 1.00 73.20 O ATOM 665 CB GLU A 51 6.221 14.105 11.754 1.00 43.50 C ATOM 666 CG GLU A 51 5.659 14.851 10.554 1.00 73.40 C ATOM 667 CD GLU A 51 5.822 16.354 10.674 1.00 53.50 C ATOM 668 OE1 GLU A 51 6.938 16.805 11.007 1.00 5.40 O ATOM 669 OE2 GLU A 51 4.834 17.079 10.434 1.00 70.00 O ATOM 0 H GLU A 51 6.323 11.909 9.557 1.00 51.20 H new ATOM 0 HA GLU A 51 6.955 12.167 12.322 1.00 15.00 H new ATOM 0 HB2 GLU A 51 5.587 14.297 12.620 1.00 43.50 H new ATOM 0 HB3 GLU A 51 7.209 14.501 11.988 1.00 43.50 H new ATOM 0 HG2 GLU A 51 6.159 14.506 9.649 1.00 73.40 H new ATOM 0 HG3 GLU A 51 4.601 14.611 10.444 1.00 73.40 H new ATOM 676 N ALA A 52 4.862 10.828 12.321 1.00 41.20 N ATOM 677 CA ALA A 52 3.597 10.120 12.480 1.00 35.20 C ATOM 678 C ALA A 52 2.709 10.808 13.511 1.00 43.50 C ATOM 679 O ALA A 52 3.056 11.865 14.038 1.00 20.10 O ATOM 680 CB ALA A 52 3.850 8.674 12.880 1.00 20.20 C ATOM 0 H ALA A 52 5.655 10.384 12.783 1.00 41.20 H new ATOM 0 HA ALA A 52 3.076 10.136 11.522 1.00 35.20 H new ATOM 0 HB1 ALA A 52 2.898 8.156 12.996 1.00 20.20 H new ATOM 0 HB2 ALA A 52 4.440 8.181 12.107 1.00 20.20 H new ATOM 0 HB3 ALA A 52 4.394 8.648 13.824 1.00 20.20 H new ATOM 686 N GLN A 53 1.561 10.202 13.794 1.00 54.00 N ATOM 687 CA GLN A 53 0.622 10.756 14.762 1.00 4.22 C ATOM 688 C GLN A 53 1.082 10.476 16.188 1.00 54.20 C ATOM 689 O GLN A 53 1.205 11.391 17.003 1.00 53.10 O ATOM 690 CB GLN A 53 -0.775 10.173 14.540 1.00 13.30 C ATOM 691 CG GLN A 53 -1.232 10.222 13.092 1.00 10.50 C ATOM 692 CD GLN A 53 -2.526 9.466 12.863 1.00 23.50 C ATOM 693 OE1 GLN A 53 -2.665 8.874 11.682 1.00 12.40 O flip ATOM 694 NE2 GLN A 53 -3.391 9.414 13.737 1.00 2.13 N flip ATOM 0 H GLN A 53 1.258 9.327 13.367 1.00 54.00 H new ATOM 0 HA GLN A 53 0.585 11.836 14.617 1.00 4.22 H new ATOM 0 HB2 GLN A 53 -0.786 9.138 14.881 1.00 13.30 H new ATOM 0 HB3 GLN A 53 -1.489 10.719 15.156 1.00 13.30 H new ATOM 0 HG2 GLN A 53 -1.365 11.261 12.792 1.00 10.50 H new ATOM 0 HG3 GLN A 53 -0.453 9.803 12.455 1.00 10.50 H new ATOM 0 HE21 GLN A 53 -3.242 9.884 14.630 1.00 2.13 H new ATOM 0 HE22 GLN A 53 -4.256 8.901 13.568 1.00 2.13 H new ATOM 703 N GLY A 54 1.336 9.205 16.484 1.00 15.30 N ATOM 704 CA GLY A 54 1.780 8.827 17.813 1.00 24.30 C ATOM 705 C GLY A 54 2.344 7.421 17.858 1.00 50.30 C ATOM 706 O GLY A 54 2.494 6.772 16.823 1.00 1.42 O ATOM 0 H GLY A 54 1.242 8.430 15.827 1.00 15.30 H new ATOM 0 HA2 GLY A 54 2.540 9.531 18.153 1.00 24.30 H new ATOM 0 HA3 GLY A 54 0.943 8.902 18.507 1.00 24.30 H new ATOM 710 N ASP A 55 2.657 6.949 19.060 1.00 65.20 N ATOM 711 CA ASP A 55 3.209 5.611 19.236 1.00 10.40 C ATOM 712 C ASP A 55 2.238 4.551 18.725 1.00 74.40 C ATOM 713 O ASP A 55 2.593 3.723 17.886 1.00 75.20 O ATOM 714 CB ASP A 55 3.528 5.358 20.711 1.00 64.10 C ATOM 715 CG ASP A 55 4.920 5.824 21.089 1.00 1.33 C ATOM 716 OD1 ASP A 55 5.100 7.040 21.310 1.00 4.55 O ATOM 717 OD2 ASP A 55 5.831 4.972 21.165 1.00 61.30 O ATOM 0 H ASP A 55 2.538 7.473 19.927 1.00 65.20 H new ATOM 0 HA ASP A 55 4.129 5.545 18.656 1.00 10.40 H new ATOM 0 HB2 ASP A 55 2.794 5.872 21.332 1.00 64.10 H new ATOM 0 HB3 ASP A 55 3.434 4.293 20.923 1.00 64.10 H new ATOM 722 N LYS A 56 1.012 4.583 19.237 1.00 41.30 N ATOM 723 CA LYS A 56 -0.010 3.625 18.833 1.00 11.00 C ATOM 724 C LYS A 56 -0.290 3.728 17.337 1.00 34.20 C ATOM 725 O LYS A 56 -0.582 2.728 16.680 1.00 2.12 O ATOM 726 CB LYS A 56 -1.300 3.859 19.622 1.00 74.50 C ATOM 727 CG LYS A 56 -1.363 3.084 20.928 1.00 55.40 C ATOM 728 CD LYS A 56 -2.654 3.363 21.679 1.00 31.40 C ATOM 729 CE LYS A 56 -3.178 2.114 22.370 1.00 24.20 C ATOM 730 NZ LYS A 56 -3.559 1.057 21.392 1.00 62.20 N ATOM 0 H LYS A 56 0.702 5.262 19.932 1.00 41.30 H new ATOM 0 HA LYS A 56 0.362 2.623 19.048 1.00 11.00 H new ATOM 0 HB2 LYS A 56 -1.397 4.923 19.836 1.00 74.50 H new ATOM 0 HB3 LYS A 56 -2.151 3.579 19.002 1.00 74.50 H new ATOM 0 HG2 LYS A 56 -1.283 2.016 20.723 1.00 55.40 H new ATOM 0 HG3 LYS A 56 -0.512 3.353 21.553 1.00 55.40 H new ATOM 0 HD2 LYS A 56 -2.484 4.145 22.419 1.00 31.40 H new ATOM 0 HD3 LYS A 56 -3.406 3.739 20.985 1.00 31.40 H new ATOM 0 HE2 LYS A 56 -2.416 1.726 23.046 1.00 24.20 H new ATOM 0 HE3 LYS A 56 -4.043 2.373 22.981 1.00 24.20 H new ATOM 0 HZ1 LYS A 56 -4.320 0.471 21.792 1.00 62.20 H new ATOM 0 HZ2 LYS A 56 -3.891 1.501 20.512 1.00 62.20 H new ATOM 0 HZ3 LYS A 56 -2.733 0.459 21.188 1.00 62.20 H new ATOM 744 N ALA A 57 -0.200 4.942 16.805 1.00 34.40 N ATOM 745 CA ALA A 57 -0.444 5.175 15.387 1.00 41.50 C ATOM 746 C ALA A 57 0.634 4.520 14.530 1.00 61.30 C ATOM 747 O ALA A 57 0.335 3.876 13.524 1.00 22.10 O ATOM 748 CB ALA A 57 -0.512 6.668 15.102 1.00 62.30 C ATOM 0 H ALA A 57 0.040 5.780 17.335 1.00 34.40 H new ATOM 0 HA ALA A 57 -1.402 4.723 15.129 1.00 41.50 H new ATOM 0 HB1 ALA A 57 -0.695 6.828 14.039 1.00 62.30 H new ATOM 0 HB2 ALA A 57 -1.322 7.112 15.680 1.00 62.30 H new ATOM 0 HB3 ALA A 57 0.432 7.135 15.382 1.00 62.30 H new ATOM 754 N LYS A 58 1.889 4.688 14.935 1.00 35.10 N ATOM 755 CA LYS A 58 3.011 4.113 14.204 1.00 14.20 C ATOM 756 C LYS A 58 2.900 2.593 14.143 1.00 12.30 C ATOM 757 O LYS A 58 3.105 1.987 13.091 1.00 31.00 O ATOM 758 CB LYS A 58 4.334 4.513 14.861 1.00 43.40 C ATOM 759 CG LYS A 58 4.594 6.010 14.843 1.00 43.20 C ATOM 760 CD LYS A 58 5.474 6.437 16.006 1.00 40.20 C ATOM 761 CE LYS A 58 5.391 7.935 16.247 1.00 50.30 C ATOM 762 NZ LYS A 58 6.498 8.421 17.116 1.00 30.20 N ATOM 0 H LYS A 58 2.154 5.218 15.765 1.00 35.10 H new ATOM 0 HA LYS A 58 2.986 4.502 13.186 1.00 14.20 H new ATOM 0 HB2 LYS A 58 4.337 4.165 15.894 1.00 43.40 H new ATOM 0 HB3 LYS A 58 5.152 4.004 14.351 1.00 43.40 H new ATOM 0 HG2 LYS A 58 5.072 6.286 13.903 1.00 43.20 H new ATOM 0 HG3 LYS A 58 3.646 6.546 14.887 1.00 43.20 H new ATOM 0 HD2 LYS A 58 5.170 5.905 16.908 1.00 40.20 H new ATOM 0 HD3 LYS A 58 6.508 6.157 15.803 1.00 40.20 H new ATOM 0 HE2 LYS A 58 5.423 8.459 15.291 1.00 50.30 H new ATOM 0 HE3 LYS A 58 4.434 8.175 16.710 1.00 50.30 H new ATOM 0 HZ1 LYS A 58 6.405 9.447 17.256 1.00 30.20 H new ATOM 0 HZ2 LYS A 58 6.453 7.941 18.037 1.00 30.20 H new ATOM 0 HZ3 LYS A 58 7.411 8.215 16.663 1.00 30.20 H new ATOM 776 N GLN A 59 2.573 1.983 15.278 1.00 41.40 N ATOM 777 CA GLN A 59 2.434 0.533 15.353 1.00 70.30 C ATOM 778 C GLN A 59 1.345 0.041 14.406 1.00 42.20 C ATOM 779 O GLN A 59 1.437 -1.056 13.855 1.00 23.10 O ATOM 780 CB GLN A 59 2.111 0.105 16.786 1.00 73.20 C ATOM 781 CG GLN A 59 3.335 0.008 17.682 1.00 21.40 C ATOM 782 CD GLN A 59 3.226 -1.114 18.697 1.00 40.20 C ATOM 783 OE1 GLN A 59 2.254 -1.869 18.703 1.00 52.20 O ATOM 784 NE2 GLN A 59 4.226 -1.227 19.563 1.00 74.30 N ATOM 0 H GLN A 59 2.400 2.470 16.157 1.00 41.40 H new ATOM 0 HA GLN A 59 3.381 0.086 15.052 1.00 70.30 H new ATOM 0 HB2 GLN A 59 1.409 0.817 17.220 1.00 73.20 H new ATOM 0 HB3 GLN A 59 1.610 -0.863 16.763 1.00 73.20 H new ATOM 0 HG2 GLN A 59 4.220 -0.149 17.066 1.00 21.40 H new ATOM 0 HG3 GLN A 59 3.474 0.954 18.205 1.00 21.40 H new ATOM 0 HE21 GLN A 59 5.012 -0.579 19.521 1.00 74.30 H new ATOM 0 HE22 GLN A 59 4.208 -1.962 20.270 1.00 74.30 H new ATOM 793 N SER A 60 0.314 0.860 14.220 1.00 20.40 N ATOM 794 CA SER A 60 -0.792 0.507 13.339 1.00 13.10 C ATOM 795 C SER A 60 -0.339 0.471 11.883 1.00 62.20 C ATOM 796 O SER A 60 -0.680 -0.448 11.139 1.00 0.41 O ATOM 797 CB SER A 60 -1.940 1.506 13.502 1.00 74.20 C ATOM 798 OG SER A 60 -3.033 1.168 12.667 1.00 42.00 O ATOM 0 H SER A 60 0.222 1.772 14.668 1.00 20.40 H new ATOM 0 HA SER A 60 -1.141 -0.487 13.617 1.00 13.10 H new ATOM 0 HB2 SER A 60 -2.265 1.524 14.542 1.00 74.20 H new ATOM 0 HB3 SER A 60 -1.590 2.509 13.260 1.00 74.20 H new ATOM 0 HG SER A 60 -3.754 1.821 12.791 1.00 42.00 H new ATOM 804 N ILE A 61 0.434 1.476 11.484 1.00 1.33 N ATOM 805 CA ILE A 61 0.935 1.558 10.117 1.00 71.40 C ATOM 806 C ILE A 61 2.025 0.521 9.869 1.00 1.54 C ATOM 807 O ILE A 61 2.146 -0.014 8.767 1.00 4.21 O ATOM 808 CB ILE A 61 1.495 2.960 9.807 1.00 15.30 C ATOM 809 CG1 ILE A 61 0.492 4.038 10.222 1.00 63.50 C ATOM 810 CG2 ILE A 61 1.830 3.081 8.328 1.00 3.40 C ATOM 811 CD1 ILE A 61 0.977 5.447 9.961 1.00 11.50 C ATOM 0 H ILE A 61 0.727 2.244 12.088 1.00 1.33 H new ATOM 0 HA ILE A 61 0.090 1.359 9.457 1.00 71.40 H new ATOM 0 HB ILE A 61 2.411 3.104 10.380 1.00 15.30 H new ATOM 0 HG12 ILE A 61 -0.443 3.879 9.685 1.00 63.50 H new ATOM 0 HG13 ILE A 61 0.272 3.929 11.284 1.00 63.50 H new ATOM 0 HG21 ILE A 61 2.224 4.077 8.125 1.00 3.40 H new ATOM 0 HG22 ILE A 61 2.577 2.333 8.062 1.00 3.40 H new ATOM 0 HG23 ILE A 61 0.929 2.920 7.736 1.00 3.40 H new ATOM 0 HD11 ILE A 61 0.215 6.159 10.279 1.00 11.50 H new ATOM 0 HD12 ILE A 61 1.896 5.625 10.520 1.00 11.50 H new ATOM 0 HD13 ILE A 61 1.170 5.574 8.896 1.00 11.50 H new ATOM 823 N ARG A 62 2.815 0.241 10.900 1.00 4.24 N ATOM 824 CA ARG A 62 3.895 -0.733 10.793 1.00 32.30 C ATOM 825 C ARG A 62 3.351 -2.111 10.431 1.00 75.40 C ATOM 826 O ARG A 62 3.907 -2.805 9.580 1.00 42.30 O ATOM 827 CB ARG A 62 4.674 -0.808 12.107 1.00 24.10 C ATOM 828 CG ARG A 62 5.703 0.298 12.269 1.00 0.31 C ATOM 829 CD ARG A 62 6.933 -0.191 13.017 1.00 20.20 C ATOM 830 NE ARG A 62 6.581 -0.924 14.230 1.00 23.20 N ATOM 831 CZ ARG A 62 7.474 -1.411 15.088 1.00 33.10 C ATOM 832 NH1 ARG A 62 8.773 -1.244 14.870 1.00 35.30 N ATOM 833 NH2 ARG A 62 7.068 -2.065 16.168 1.00 75.10 N ATOM 0 H ARG A 62 2.728 0.675 11.819 1.00 4.24 H new ATOM 0 HA ARG A 62 4.567 -0.408 9.999 1.00 32.30 H new ATOM 0 HB2 ARG A 62 3.971 -0.764 12.939 1.00 24.10 H new ATOM 0 HB3 ARG A 62 5.178 -1.773 12.166 1.00 24.10 H new ATOM 0 HG2 ARG A 62 5.997 0.670 11.287 1.00 0.31 H new ATOM 0 HG3 ARG A 62 5.258 1.135 12.807 1.00 0.31 H new ATOM 0 HD2 ARG A 62 7.523 -0.834 12.363 1.00 20.20 H new ATOM 0 HD3 ARG A 62 7.561 0.661 13.278 1.00 20.20 H new ATOM 0 HE ARG A 62 5.592 -1.071 14.432 1.00 23.20 H new ATOM 0 HH11 ARG A 62 9.091 -0.740 14.042 1.00 35.30 H new ATOM 0 HH12 ARG A 62 9.453 -1.619 15.531 1.00 35.30 H new ATOM 0 HH21 ARG A 62 6.071 -2.195 16.341 1.00 75.10 H new ATOM 0 HH22 ARG A 62 7.753 -2.438 16.826 1.00 75.10 H new ATOM 847 N ALA A 63 2.260 -2.500 11.083 1.00 14.30 N ATOM 848 CA ALA A 63 1.640 -3.795 10.829 1.00 2.01 C ATOM 849 C ALA A 63 0.999 -3.836 9.446 1.00 34.30 C ATOM 850 O ALA A 63 1.020 -4.865 8.771 1.00 63.30 O ATOM 851 CB ALA A 63 0.606 -4.104 11.902 1.00 4.42 C ATOM 0 H ALA A 63 1.788 -1.937 11.791 1.00 14.30 H new ATOM 0 HA ALA A 63 2.420 -4.556 10.861 1.00 2.01 H new ATOM 0 HB1 ALA A 63 0.151 -5.074 11.700 1.00 4.42 H new ATOM 0 HB2 ALA A 63 1.090 -4.127 12.878 1.00 4.42 H new ATOM 0 HB3 ALA A 63 -0.165 -3.333 11.897 1.00 4.42 H new ATOM 857 N LYS A 64 0.429 -2.710 9.031 1.00 63.30 N ATOM 858 CA LYS A 64 -0.219 -2.616 7.728 1.00 73.30 C ATOM 859 C LYS A 64 0.816 -2.553 6.609 1.00 14.40 C ATOM 860 O LYS A 64 0.666 -3.202 5.574 1.00 13.30 O ATOM 861 CB LYS A 64 -1.124 -1.384 7.671 1.00 43.20 C ATOM 862 CG LYS A 64 -2.355 -1.493 8.556 1.00 71.10 C ATOM 863 CD LYS A 64 -3.478 -0.598 8.059 1.00 64.30 C ATOM 864 CE LYS A 64 -3.316 0.829 8.559 1.00 32.20 C ATOM 865 NZ LYS A 64 -4.627 1.521 8.698 1.00 72.40 N ATOM 0 H LYS A 64 0.403 -1.850 9.578 1.00 63.30 H new ATOM 0 HA LYS A 64 -0.826 -3.510 7.588 1.00 73.30 H new ATOM 0 HB2 LYS A 64 -0.549 -0.507 7.969 1.00 43.20 H new ATOM 0 HB3 LYS A 64 -1.441 -1.223 6.640 1.00 43.20 H new ATOM 0 HG2 LYS A 64 -2.697 -2.528 8.580 1.00 71.10 H new ATOM 0 HG3 LYS A 64 -2.095 -1.219 9.578 1.00 71.10 H new ATOM 0 HD2 LYS A 64 -3.494 -0.603 6.969 1.00 64.30 H new ATOM 0 HD3 LYS A 64 -4.436 -0.995 8.393 1.00 64.30 H new ATOM 0 HE2 LYS A 64 -2.806 0.820 9.522 1.00 32.20 H new ATOM 0 HE3 LYS A 64 -2.683 1.386 7.868 1.00 32.20 H new ATOM 0 HZ1 LYS A 64 -4.473 2.491 9.041 1.00 72.40 H new ATOM 0 HZ2 LYS A 64 -5.103 1.552 7.774 1.00 72.40 H new ATOM 0 HZ3 LYS A 64 -5.222 1.004 9.376 1.00 72.40 H new ATOM 879 N CYS A 65 1.866 -1.768 6.825 1.00 1.24 N ATOM 880 CA CYS A 65 2.927 -1.620 5.835 1.00 74.20 C ATOM 881 C CYS A 65 3.588 -2.963 5.541 1.00 74.20 C ATOM 882 O CYS A 65 4.055 -3.206 4.428 1.00 72.20 O ATOM 883 CB CYS A 65 3.974 -0.619 6.325 1.00 64.30 C ATOM 884 SG CYS A 65 3.641 1.092 5.846 1.00 45.30 S ATOM 0 H CYS A 65 2.005 -1.224 7.677 1.00 1.24 H new ATOM 0 HA CYS A 65 2.481 -1.246 4.914 1.00 74.20 H new ATOM 0 HB2 CYS A 65 4.034 -0.675 7.412 1.00 64.30 H new ATOM 0 HB3 CYS A 65 4.950 -0.910 5.936 1.00 64.30 H new ATOM 0 HG CYS A 65 4.299 1.897 6.626 1.00 45.30 H new ATOM 890 N THR A 66 3.624 -3.832 6.546 1.00 43.20 N ATOM 891 CA THR A 66 4.228 -5.150 6.395 1.00 22.10 C ATOM 892 C THR A 66 3.241 -6.133 5.774 1.00 43.30 C ATOM 893 O THR A 66 3.633 -7.049 5.052 1.00 65.10 O ATOM 894 CB THR A 66 4.703 -5.675 7.751 1.00 3.41 C ATOM 895 OG1 THR A 66 5.358 -6.923 7.604 1.00 3.12 O ATOM 896 CG2 THR A 66 3.580 -5.860 8.748 1.00 60.40 C ATOM 0 H THR A 66 3.242 -3.647 7.473 1.00 43.20 H new ATOM 0 HA THR A 66 5.086 -5.055 5.729 1.00 22.10 H new ATOM 0 HB THR A 66 5.384 -4.914 8.133 1.00 3.41 H new ATOM 0 HG1 THR A 66 5.656 -7.242 8.482 1.00 3.12 H new ATOM 0 HG21 THR A 66 3.986 -6.234 9.688 1.00 60.40 H new ATOM 0 HG22 THR A 66 3.086 -4.904 8.921 1.00 60.40 H new ATOM 0 HG23 THR A 66 2.858 -6.575 8.354 1.00 60.40 H new ATOM 904 N GLU A 67 1.958 -5.936 6.060 1.00 21.20 N ATOM 905 CA GLU A 67 0.914 -6.805 5.529 1.00 63.20 C ATOM 906 C GLU A 67 0.696 -6.546 4.042 1.00 62.00 C ATOM 907 O GLU A 67 0.637 -7.480 3.241 1.00 71.00 O ATOM 908 CB GLU A 67 -0.394 -6.591 6.293 1.00 32.00 C ATOM 909 CG GLU A 67 -1.526 -7.489 5.823 1.00 33.30 C ATOM 910 CD GLU A 67 -2.706 -7.486 6.775 1.00 30.50 C ATOM 911 OE1 GLU A 67 -3.113 -6.389 7.213 1.00 24.20 O ATOM 912 OE2 GLU A 67 -3.223 -8.580 7.083 1.00 42.30 O ATOM 0 H GLU A 67 1.616 -5.182 6.656 1.00 21.20 H new ATOM 0 HA GLU A 67 1.236 -7.839 5.656 1.00 63.20 H new ATOM 0 HB2 GLU A 67 -0.218 -6.767 7.354 1.00 32.00 H new ATOM 0 HB3 GLU A 67 -0.700 -5.550 6.189 1.00 32.00 H new ATOM 0 HG2 GLU A 67 -1.858 -7.163 4.837 1.00 33.30 H new ATOM 0 HG3 GLU A 67 -1.155 -8.508 5.713 1.00 33.30 H new ATOM 919 N TYR A 68 0.576 -5.274 3.678 1.00 32.30 N ATOM 920 CA TYR A 68 0.365 -4.893 2.287 1.00 33.40 C ATOM 921 C TYR A 68 1.593 -5.214 1.442 1.00 44.40 C ATOM 922 O TYR A 68 1.475 -5.695 0.315 1.00 33.30 O ATOM 923 CB TYR A 68 0.040 -3.401 2.188 1.00 43.20 C ATOM 924 CG TYR A 68 -1.235 -3.010 2.902 1.00 63.30 C ATOM 925 CD1 TYR A 68 -2.383 -3.782 2.786 1.00 63.50 C ATOM 926 CD2 TYR A 68 -1.289 -1.868 3.691 1.00 32.50 C ATOM 927 CE1 TYR A 68 -3.550 -3.428 3.436 1.00 14.50 C ATOM 928 CE2 TYR A 68 -2.452 -1.507 4.345 1.00 32.50 C ATOM 929 CZ TYR A 68 -3.579 -2.290 4.214 1.00 73.30 C ATOM 930 OH TYR A 68 -4.739 -1.934 4.863 1.00 74.40 O ATOM 0 H TYR A 68 0.621 -4.489 4.328 1.00 32.30 H new ATOM 0 HA TYR A 68 -0.478 -5.468 1.904 1.00 33.40 H new ATOM 0 HB2 TYR A 68 0.869 -2.829 2.604 1.00 43.20 H new ATOM 0 HB3 TYR A 68 -0.043 -3.125 1.137 1.00 43.20 H new ATOM 0 HD1 TYR A 68 -2.364 -4.674 2.178 1.00 63.50 H new ATOM 0 HD2 TYR A 68 -0.408 -1.252 3.795 1.00 32.50 H new ATOM 0 HE1 TYR A 68 -4.435 -4.039 3.335 1.00 14.50 H new ATOM 0 HE2 TYR A 68 -2.478 -0.616 4.955 1.00 32.50 H new ATOM 0 HH TYR A 68 -5.253 -2.740 5.080 1.00 74.40 H new ATOM 940 N LEU A 69 2.772 -4.945 1.993 1.00 20.10 N ATOM 941 CA LEU A 69 4.022 -5.205 1.290 1.00 53.50 C ATOM 942 C LEU A 69 4.160 -6.688 0.957 1.00 75.10 C ATOM 943 O LEU A 69 4.683 -7.051 -0.096 1.00 3.51 O ATOM 944 CB LEU A 69 5.212 -4.747 2.135 1.00 42.40 C ATOM 945 CG LEU A 69 5.576 -3.269 1.993 1.00 64.20 C ATOM 946 CD1 LEU A 69 6.676 -2.893 2.973 1.00 44.20 C ATOM 947 CD2 LEU A 69 6.004 -2.961 0.566 1.00 22.30 C ATOM 0 H LEU A 69 2.888 -4.547 2.925 1.00 20.10 H new ATOM 0 HA LEU A 69 4.010 -4.641 0.357 1.00 53.50 H new ATOM 0 HB2 LEU A 69 4.994 -4.953 3.183 1.00 42.40 H new ATOM 0 HB3 LEU A 69 6.081 -5.347 1.866 1.00 42.40 H new ATOM 0 HG LEU A 69 4.693 -2.673 2.224 1.00 64.20 H new ATOM 0 HD11 LEU A 69 6.921 -1.837 2.857 1.00 44.20 H new ATOM 0 HD12 LEU A 69 6.334 -3.076 3.992 1.00 44.20 H new ATOM 0 HD13 LEU A 69 7.562 -3.496 2.774 1.00 44.20 H new ATOM 0 HD21 LEU A 69 6.260 -1.905 0.483 1.00 22.30 H new ATOM 0 HD22 LEU A 69 6.873 -3.566 0.308 1.00 22.30 H new ATOM 0 HD23 LEU A 69 5.186 -3.191 -0.117 1.00 22.30 H new ATOM 959 N ASP A 70 3.688 -7.538 1.862 1.00 3.12 N ATOM 960 CA ASP A 70 3.759 -8.982 1.665 1.00 61.40 C ATOM 961 C ASP A 70 2.742 -9.439 0.624 1.00 73.10 C ATOM 962 O ASP A 70 3.018 -10.330 -0.177 1.00 32.00 O ATOM 963 CB ASP A 70 3.516 -9.711 2.988 1.00 13.10 C ATOM 964 CG ASP A 70 4.072 -11.120 2.980 1.00 52.00 C ATOM 965 OD1 ASP A 70 3.703 -11.900 2.075 1.00 31.20 O ATOM 966 OD2 ASP A 70 4.874 -11.440 3.880 1.00 70.20 O ATOM 0 H ASP A 70 3.252 -7.253 2.739 1.00 3.12 H new ATOM 0 HA ASP A 70 4.758 -9.226 1.303 1.00 61.40 H new ATOM 0 HB2 ASP A 70 3.974 -9.147 3.800 1.00 13.10 H new ATOM 0 HB3 ASP A 70 2.445 -9.747 3.189 1.00 13.10 H new ATOM 971 N ARG A 71 1.566 -8.821 0.643 1.00 43.30 N ATOM 972 CA ARG A 71 0.507 -9.165 -0.299 1.00 70.20 C ATOM 973 C ARG A 71 0.843 -8.665 -1.701 1.00 21.40 C ATOM 974 O ARG A 71 0.502 -9.304 -2.696 1.00 21.40 O ATOM 975 CB ARG A 71 -0.826 -8.573 0.161 1.00 55.30 C ATOM 976 CG ARG A 71 -2.039 -9.324 -0.363 1.00 4.14 C ATOM 977 CD ARG A 71 -3.330 -8.584 -0.052 1.00 43.40 C ATOM 978 NE ARG A 71 -4.469 -9.142 -0.777 1.00 23.00 N ATOM 979 CZ ARG A 71 -5.059 -10.290 -0.458 1.00 63.20 C ATOM 980 NH1 ARG A 71 -4.622 -11.000 0.570 1.00 73.00 N ATOM 981 NH2 ARG A 71 -6.090 -10.720 -1.170 1.00 13.20 N ATOM 0 H ARG A 71 1.322 -8.080 1.300 1.00 43.30 H new ATOM 0 HA ARG A 71 0.422 -10.251 -0.331 1.00 70.20 H new ATOM 0 HB2 ARG A 71 -0.855 -8.568 1.251 1.00 55.30 H new ATOM 0 HB3 ARG A 71 -0.884 -7.534 -0.164 1.00 55.30 H new ATOM 0 HG2 ARG A 71 -1.947 -9.460 -1.441 1.00 4.14 H new ATOM 0 HG3 ARG A 71 -2.072 -10.319 0.082 1.00 4.14 H new ATOM 0 HD2 ARG A 71 -3.525 -8.629 1.019 1.00 43.40 H new ATOM 0 HD3 ARG A 71 -3.216 -7.531 -0.311 1.00 43.40 H new ATOM 0 HE ARG A 71 -4.833 -8.620 -1.574 1.00 23.00 H new ATOM 0 HH11 ARG A 71 -3.830 -10.667 1.120 1.00 73.00 H new ATOM 0 HH12 ARG A 71 -5.077 -11.880 0.812 1.00 73.00 H new ATOM 0 HH21 ARG A 71 -6.429 -10.171 -1.960 1.00 13.20 H new ATOM 0 HH22 ARG A 71 -6.545 -11.600 -0.928 1.00 13.20 H new ATOM 995 N ALA A 72 1.512 -7.520 -1.770 1.00 10.20 N ATOM 996 CA ALA A 72 1.894 -6.934 -3.049 1.00 54.20 C ATOM 997 C ALA A 72 3.151 -7.596 -3.603 1.00 71.10 C ATOM 998 O ALA A 72 3.305 -7.743 -4.815 1.00 10.20 O ATOM 999 CB ALA A 72 2.106 -5.435 -2.901 1.00 44.10 C ATOM 0 H ALA A 72 1.801 -6.979 -0.955 1.00 10.20 H new ATOM 0 HA ALA A 72 1.083 -7.107 -3.756 1.00 54.20 H new ATOM 0 HB1 ALA A 72 2.391 -5.011 -3.864 1.00 44.10 H new ATOM 0 HB2 ALA A 72 1.182 -4.969 -2.558 1.00 44.10 H new ATOM 0 HB3 ALA A 72 2.897 -5.249 -2.175 1.00 44.10 H new ATOM 1005 N GLU A 73 4.048 -7.993 -2.706 1.00 35.20 N ATOM 1006 CA GLU A 73 5.293 -8.640 -3.105 1.00 65.20 C ATOM 1007 C GLU A 73 5.015 -9.941 -3.850 1.00 41.10 C ATOM 1008 O GLU A 73 5.621 -10.210 -4.887 1.00 1.32 O ATOM 1009 CB GLU A 73 6.164 -8.917 -1.878 1.00 33.40 C ATOM 1010 CG GLU A 73 7.101 -7.774 -1.527 1.00 0.44 C ATOM 1011 CD GLU A 73 7.359 -7.668 -0.036 1.00 12.20 C ATOM 1012 OE1 GLU A 73 7.142 -8.670 0.676 1.00 73.10 O ATOM 1013 OE2 GLU A 73 7.778 -6.583 0.418 1.00 52.00 O ATOM 0 H GLU A 73 3.936 -7.878 -1.699 1.00 35.20 H new ATOM 0 HA GLU A 73 5.826 -7.965 -3.775 1.00 65.20 H new ATOM 0 HB2 GLU A 73 5.519 -9.122 -1.024 1.00 33.40 H new ATOM 0 HB3 GLU A 73 6.753 -9.817 -2.056 1.00 33.40 H new ATOM 0 HG2 GLU A 73 8.049 -7.913 -2.047 1.00 0.44 H new ATOM 0 HG3 GLU A 73 6.675 -6.837 -1.886 1.00 0.44 H new ATOM 1020 N LYS A 74 4.097 -10.730 -3.316 1.00 45.10 N ATOM 1021 CA LYS A 74 3.739 -12.010 -3.931 1.00 41.00 C ATOM 1022 C LYS A 74 2.898 -11.790 -5.185 1.00 11.20 C ATOM 1023 O LYS A 74 3.037 -12.510 -6.172 1.00 64.20 O ATOM 1024 CB LYS A 74 2.974 -12.880 -2.936 1.00 11.10 C ATOM 1025 CG LYS A 74 3.851 -13.470 -1.843 1.00 73.10 C ATOM 1026 CD LYS A 74 4.334 -14.860 -2.206 1.00 15.30 C ATOM 1027 CE LYS A 74 3.469 -15.940 -1.565 1.00 14.50 C ATOM 1028 NZ LYS A 74 2.440 -16.460 -2.507 1.00 73.00 N ATOM 0 H LYS A 74 3.584 -10.513 -2.461 1.00 45.10 H new ATOM 0 HA LYS A 74 4.659 -12.521 -4.215 1.00 41.00 H new ATOM 0 HB2 LYS A 74 2.186 -12.284 -2.476 1.00 11.10 H new ATOM 0 HB3 LYS A 74 2.486 -13.691 -3.476 1.00 11.10 H new ATOM 0 HG2 LYS A 74 4.708 -12.819 -1.672 1.00 73.10 H new ATOM 0 HG3 LYS A 74 3.291 -13.511 -0.909 1.00 73.10 H new ATOM 0 HD2 LYS A 74 4.322 -14.979 -3.289 1.00 15.30 H new ATOM 0 HD3 LYS A 74 5.368 -14.982 -1.884 1.00 15.30 H new ATOM 0 HE2 LYS A 74 4.103 -16.761 -1.230 1.00 14.50 H new ATOM 0 HE3 LYS A 74 2.979 -15.534 -0.680 1.00 14.50 H new ATOM 0 HZ1 LYS A 74 1.873 -17.192 -2.033 1.00 73.00 H new ATOM 0 HZ2 LYS A 74 1.819 -15.682 -2.807 1.00 73.00 H new ATOM 0 HZ3 LYS A 74 2.908 -16.870 -3.340 1.00 73.00 H new ATOM 1042 N LEU A 75 2.026 -10.790 -5.139 1.00 54.30 N ATOM 1043 CA LEU A 75 1.162 -10.470 -6.271 1.00 34.00 C ATOM 1044 C LEU A 75 1.989 -10.160 -7.515 1.00 61.30 C ATOM 1045 O LEU A 75 1.772 -10.740 -8.580 1.00 10.30 O ATOM 1046 CB LEU A 75 0.250 -9.294 -5.931 1.00 41.20 C ATOM 1047 CG LEU A 75 -1.241 -9.626 -5.861 1.00 21.10 C ATOM 1048 CD1 LEU A 75 -1.620 -10.080 -4.462 1.00 31.30 C ATOM 1049 CD2 LEU A 75 -2.074 -8.422 -6.273 1.00 33.40 C ATOM 0 H LEU A 75 1.898 -10.185 -4.328 1.00 54.30 H new ATOM 0 HA LEU A 75 0.542 -11.341 -6.482 1.00 34.00 H new ATOM 0 HB2 LEU A 75 0.559 -8.881 -4.971 1.00 41.20 H new ATOM 0 HB3 LEU A 75 0.397 -8.513 -6.677 1.00 41.20 H new ATOM 0 HG LEU A 75 -1.445 -10.441 -6.555 1.00 21.10 H new ATOM 0 HD11 LEU A 75 -2.685 -10.312 -4.431 1.00 31.30 H new ATOM 0 HD12 LEU A 75 -1.047 -10.969 -4.200 1.00 31.30 H new ATOM 0 HD13 LEU A 75 -1.401 -9.285 -3.750 1.00 31.30 H new ATOM 0 HD21 LEU A 75 -3.133 -8.676 -6.217 1.00 33.40 H new ATOM 0 HD22 LEU A 75 -1.865 -7.588 -5.603 1.00 33.40 H new ATOM 0 HD23 LEU A 75 -1.822 -8.138 -7.295 1.00 33.40 H new ATOM 1061 N LYS A 76 2.938 -9.245 -7.370 1.00 11.30 N ATOM 1062 CA LYS A 76 3.800 -8.855 -8.480 1.00 12.30 C ATOM 1063 C LYS A 76 4.721 -10.000 -8.882 1.00 74.30 C ATOM 1064 O LYS A 76 5.139 -10.100 -10.030 1.00 2.14 O ATOM 1065 CB LYS A 76 4.632 -7.628 -8.101 1.00 14.30 C ATOM 1066 CG LYS A 76 5.598 -7.878 -6.955 1.00 31.20 C ATOM 1067 CD LYS A 76 6.285 -6.595 -6.516 1.00 31.20 C ATOM 1068 CE LYS A 76 7.705 -6.858 -6.042 1.00 72.00 C ATOM 1069 NZ LYS A 76 8.630 -7.124 -7.178 1.00 10.30 N ATOM 0 H LYS A 76 3.131 -8.758 -6.495 1.00 11.30 H new ATOM 0 HA LYS A 76 3.164 -8.607 -9.330 1.00 12.30 H new ATOM 0 HB2 LYS A 76 5.195 -7.297 -8.974 1.00 14.30 H new ATOM 0 HB3 LYS A 76 3.960 -6.814 -7.828 1.00 14.30 H new ATOM 0 HG2 LYS A 76 5.060 -8.311 -6.112 1.00 31.20 H new ATOM 0 HG3 LYS A 76 6.348 -8.607 -7.262 1.00 31.20 H new ATOM 0 HD2 LYS A 76 6.302 -5.888 -7.345 1.00 31.20 H new ATOM 0 HD3 LYS A 76 5.712 -6.131 -5.713 1.00 31.20 H new ATOM 0 HE2 LYS A 76 8.064 -5.998 -5.476 1.00 72.00 H new ATOM 0 HE3 LYS A 76 7.709 -7.711 -5.363 1.00 72.00 H new ATOM 0 HZ1 LYS A 76 9.612 -7.114 -6.836 1.00 10.30 H new ATOM 0 HZ2 LYS A 76 8.416 -8.055 -7.589 1.00 10.30 H new ATOM 0 HZ3 LYS A 76 8.509 -6.389 -7.904 1.00 10.30 H new ATOM 1083 N GLU A 77 5.035 -10.860 -7.921 1.00 34.30 N ATOM 1084 CA GLU A 77 5.909 -12.010 -8.172 1.00 43.30 C ATOM 1085 C GLU A 77 5.396 -12.850 -9.337 1.00 61.30 C ATOM 1086 O GLU A 77 6.109 -13.070 -10.310 1.00 75.40 O ATOM 1087 CB GLU A 77 6.023 -12.870 -6.915 1.00 31.50 C ATOM 1088 CG GLU A 77 7.371 -13.560 -6.768 1.00 51.30 C ATOM 1089 CD GLU A 77 7.372 -14.620 -5.685 1.00 40.20 C ATOM 1090 OE1 GLU A 77 7.588 -14.260 -4.507 1.00 23.40 O ATOM 1091 OE2 GLU A 77 7.155 -15.800 -6.013 1.00 14.40 O ATOM 0 H GLU A 77 4.700 -10.787 -6.960 1.00 34.30 H new ATOM 0 HA GLU A 77 6.896 -11.631 -8.437 1.00 43.30 H new ATOM 0 HB2 GLU A 77 5.847 -12.244 -6.040 1.00 31.50 H new ATOM 0 HB3 GLU A 77 5.237 -13.625 -6.930 1.00 31.50 H new ATOM 0 HG2 GLU A 77 7.646 -14.018 -7.718 1.00 51.30 H new ATOM 0 HG3 GLU A 77 8.133 -12.814 -6.541 1.00 51.30 H new ATOM 1098 N TYR A 78 4.158 -13.320 -9.225 1.00 54.50 N ATOM 1099 CA TYR A 78 3.559 -14.140 -10.270 1.00 71.50 C ATOM 1100 C TYR A 78 3.329 -13.320 -11.540 1.00 55.30 C ATOM 1101 O TYR A 78 3.475 -13.830 -12.650 1.00 10.00 O ATOM 1102 CB TYR A 78 2.241 -14.760 -9.783 1.00 4.14 C ATOM 1103 CG TYR A 78 1.061 -13.810 -9.813 1.00 34.40 C ATOM 1104 CD1 TYR A 78 0.412 -13.510 -11.000 1.00 51.40 C ATOM 1105 CD2 TYR A 78 0.595 -13.210 -8.649 1.00 33.30 C ATOM 1106 CE1 TYR A 78 -0.667 -12.650 -11.030 1.00 2.24 C ATOM 1107 CE2 TYR A 78 -0.484 -12.340 -8.674 1.00 61.30 C ATOM 1108 CZ TYR A 78 -1.111 -12.070 -9.870 1.00 10.10 C ATOM 1109 OH TYR A 78 -2.185 -11.210 -9.898 1.00 12.40 O ATOM 0 H TYR A 78 3.552 -13.147 -8.423 1.00 54.50 H new ATOM 0 HA TYR A 78 4.252 -14.947 -10.506 1.00 71.50 H new ATOM 0 HB2 TYR A 78 2.010 -15.628 -10.401 1.00 4.14 H new ATOM 0 HB3 TYR A 78 2.377 -15.121 -8.764 1.00 4.14 H new ATOM 0 HD1 TYR A 78 0.757 -13.958 -11.920 1.00 51.40 H new ATOM 0 HD2 TYR A 78 1.082 -13.425 -7.709 1.00 33.30 H new ATOM 0 HE1 TYR A 78 -1.161 -12.434 -11.966 1.00 2.24 H new ATOM 0 HE2 TYR A 78 -0.830 -11.877 -7.762 1.00 61.30 H new ATOM 0 HH TYR A 78 -2.891 -11.549 -9.309 1.00 12.40 H new ATOM 1119 N LEU A 79 2.967 -12.050 -11.360 1.00 13.00 N ATOM 1120 CA LEU A 79 2.716 -11.170 -12.490 1.00 31.20 C ATOM 1121 C LEU A 79 3.981 -10.970 -13.320 1.00 64.30 C ATOM 1122 O LEU A 79 3.920 -10.850 -14.540 1.00 61.40 O ATOM 1123 CB LEU A 79 2.202 -9.817 -11.990 1.00 32.30 C ATOM 1124 CG LEU A 79 0.758 -9.818 -11.490 1.00 23.40 C ATOM 1125 CD1 LEU A 79 0.405 -8.473 -10.870 1.00 71.30 C ATOM 1126 CD2 LEU A 79 -0.200 -10.150 -12.620 1.00 11.20 C ATOM 0 H LEU A 79 2.843 -11.614 -10.446 1.00 13.00 H new ATOM 0 HA LEU A 79 1.961 -11.634 -13.125 1.00 31.20 H new ATOM 0 HB2 LEU A 79 2.850 -9.475 -11.183 1.00 32.30 H new ATOM 0 HB3 LEU A 79 2.290 -9.091 -12.798 1.00 32.30 H new ATOM 0 HG LEU A 79 0.663 -10.586 -10.723 1.00 23.40 H new ATOM 0 HD11 LEU A 79 -0.627 -8.493 -10.520 1.00 71.30 H new ATOM 0 HD12 LEU A 79 1.070 -8.274 -10.029 1.00 71.30 H new ATOM 0 HD13 LEU A 79 0.519 -7.687 -11.616 1.00 71.30 H new ATOM 0 HD21 LEU A 79 -1.223 -10.146 -12.243 1.00 11.20 H new ATOM 0 HD22 LEU A 79 -0.101 -9.406 -13.411 1.00 11.20 H new ATOM 0 HD23 LEU A 79 0.035 -11.137 -13.019 1.00 11.20 H new ATOM 1138 N LYS A 80 5.125 -10.930 -12.640 1.00 13.40 N ATOM 1139 CA LYS A 80 6.405 -10.750 -13.320 1.00 71.30 C ATOM 1140 C LYS A 80 6.891 -12.060 -13.920 1.00 24.00 C ATOM 1141 O LYS A 80 7.562 -12.070 -14.960 1.00 4.32 O ATOM 1142 CB LYS A 80 7.449 -10.210 -12.340 1.00 24.30 C ATOM 1143 CG LYS A 80 8.440 -9.254 -12.980 1.00 55.10 C ATOM 1144 CD LYS A 80 9.356 -8.627 -11.940 1.00 41.50 C ATOM 1145 CE LYS A 80 10.380 -7.706 -12.580 1.00 34.10 C ATOM 1146 NZ LYS A 80 11.116 -6.899 -11.570 1.00 22.50 N ATOM 0 H LYS A 80 5.192 -11.019 -11.626 1.00 13.40 H new ATOM 0 HA LYS A 80 6.263 -10.032 -14.128 1.00 71.30 H new ATOM 0 HB2 LYS A 80 6.939 -9.700 -11.523 1.00 24.30 H new ATOM 0 HB3 LYS A 80 7.993 -11.047 -11.903 1.00 24.30 H new ATOM 0 HG2 LYS A 80 9.038 -9.788 -13.719 1.00 55.10 H new ATOM 0 HG3 LYS A 80 7.901 -8.470 -13.512 1.00 55.10 H new ATOM 0 HD2 LYS A 80 8.760 -8.065 -11.221 1.00 41.50 H new ATOM 0 HD3 LYS A 80 9.869 -9.413 -11.385 1.00 41.50 H new ATOM 0 HE2 LYS A 80 11.090 -8.299 -13.157 1.00 34.10 H new ATOM 0 HE3 LYS A 80 9.879 -7.039 -13.281 1.00 34.10 H new ATOM 0 HZ1 LYS A 80 11.804 -6.285 -12.051 1.00 22.50 H new ATOM 0 HZ2 LYS A 80 10.443 -6.313 -11.036 1.00 22.50 H new ATOM 0 HZ3 LYS A 80 11.616 -7.534 -10.916 1.00 22.50 H new ATOM 1160 N ASN A 81 6.549 -13.170 -13.280 1.00 35.10 N ATOM 1161 CA ASN A 81 6.951 -14.490 -13.750 1.00 22.20 C ATOM 1162 C ASN A 81 6.148 -14.890 -14.980 1.00 42.30 C ATOM 1163 O ASN A 81 6.699 -15.410 -15.950 1.00 31.30 O ATOM 1164 CB ASN A 81 6.766 -15.530 -12.650 1.00 43.10 C ATOM 1165 CG ASN A 81 7.969 -15.620 -11.730 1.00 35.40 C ATOM 1166 OD1 ASN A 81 8.495 -14.600 -11.280 1.00 52.10 O ATOM 1167 ND2 ASN A 81 8.411 -16.840 -11.450 1.00 4.32 N ATOM 0 H ASN A 81 5.990 -13.182 -12.427 1.00 35.10 H new ATOM 0 HA ASN A 81 8.006 -14.445 -14.019 1.00 22.20 H new ATOM 0 HB2 ASN A 81 5.882 -15.281 -12.064 1.00 43.10 H new ATOM 0 HB3 ASN A 81 6.584 -16.505 -13.102 1.00 43.10 H new ATOM 0 HD21 ASN A 81 9.218 -16.962 -10.839 1.00 4.32 H new ATOM 0 HD22 ASN A 81 7.943 -17.655 -11.846 1.00 4.32 H new