USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=11 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 : no HD1:sc= -4.23! K(o=-4.2!,f=-1.9) USER MOD Set 1.2: A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) 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 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ -118:sc= 0 (180deg=-0.131) USER MOD Single : A 29 ASN : amide:sc= 0.732 K(o=0.73,f=-1.7) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.171 K(o=-0.17,f=-2.2!) USER MOD Single : A 37 TYR OH : rot 96:sc= -0.163 USER MOD Single : A 38 GLN : amide:sc= -0.665 K(o=-0.66,f=-2.7!) USER MOD Single : A 39 HIS : no HD1:sc= -0.153 X(o=-0.15,f=-0.04) USER MOD Single : A 42 GLN : amide:sc=-0.00624 X(o=-0.0062,f=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -1.01 K(o=-1,f=-0.28) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -0.0771 K(o=-0.077,f=-1.9!) 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 -18:sc= 0.0447 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= -0.462 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 126:sc= -0.581! 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) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 10 -3.690 13.531 3.707 1.00 74.30 N ATOM 2 CA ASN A 10 -2.838 12.490 3.145 1.00 25.20 C ATOM 3 C ASN A 10 -3.157 11.133 3.762 1.00 30.20 C ATOM 4 O ASN A 10 -3.049 10.099 3.103 1.00 25.10 O ATOM 5 CB ASN A 10 -1.364 12.832 3.370 1.00 45.20 C ATOM 6 CG ASN A 10 -1.033 14.257 2.973 1.00 55.40 C ATOM 7 OD1 ASN A 10 -1.187 14.642 1.814 1.00 61.10 O ATOM 8 ND2 ASN A 10 -0.576 15.049 3.936 1.00 71.30 N ATOM 0 HA ASN A 10 -3.032 12.436 2.074 1.00 25.20 H new ATOM 0 HB2 ASN A 10 -1.116 12.684 4.421 1.00 45.20 H new ATOM 0 HB3 ASN A 10 -0.743 12.144 2.796 1.00 45.20 H new ATOM 0 HD21 ASN A 10 -0.337 16.019 3.728 1.00 71.30 H new ATOM 0 HD22 ASN A 10 -0.464 14.688 4.883 1.00 71.30 H new ATOM 15 N LEU A 11 -3.551 11.143 5.032 1.00 45.10 N ATOM 16 CA LEU A 11 -3.886 9.913 5.738 1.00 61.40 C ATOM 17 C LEU A 11 -5.162 9.293 5.177 1.00 1.53 C ATOM 18 O LEU A 11 -5.230 8.084 4.953 1.00 65.30 O ATOM 19 CB LEU A 11 -4.055 10.188 7.234 1.00 5.14 C ATOM 20 CG LEU A 11 -4.325 8.952 8.093 1.00 31.30 C ATOM 21 CD1 LEU A 11 -3.021 8.258 8.455 1.00 20.30 C ATOM 22 CD2 LEU A 11 -5.093 9.336 9.349 1.00 32.10 C ATOM 0 H LEU A 11 -3.646 11.990 5.592 1.00 45.10 H new ATOM 0 HA LEU A 11 -3.067 9.208 5.595 1.00 61.40 H new ATOM 0 HB2 LEU A 11 -3.153 10.677 7.602 1.00 5.14 H new ATOM 0 HB3 LEU A 11 -4.877 10.891 7.368 1.00 5.14 H new ATOM 0 HG LEU A 11 -4.934 8.257 7.515 1.00 31.30 H new ATOM 0 HD11 LEU A 11 -3.233 7.381 9.066 1.00 20.30 H new ATOM 0 HD12 LEU A 11 -2.508 7.950 7.544 1.00 20.30 H new ATOM 0 HD13 LEU A 11 -2.386 8.945 9.014 1.00 20.30 H new ATOM 0 HD21 LEU A 11 -5.277 8.445 9.949 1.00 32.10 H new ATOM 0 HD22 LEU A 11 -4.508 10.050 9.929 1.00 32.10 H new ATOM 0 HD23 LEU A 11 -6.045 9.788 9.070 1.00 32.10 H new ATOM 34 N GLN A 12 -6.170 10.128 4.951 1.00 44.40 N ATOM 35 CA GLN A 12 -7.444 9.662 4.415 1.00 1.50 C ATOM 36 C GLN A 12 -7.255 9.017 3.046 1.00 72.10 C ATOM 37 O GLN A 12 -7.983 8.095 2.678 1.00 24.30 O ATOM 38 CB GLN A 12 -8.433 10.824 4.312 1.00 53.20 C ATOM 39 CG GLN A 12 -9.883 10.380 4.200 1.00 61.10 C ATOM 40 CD GLN A 12 -10.810 11.526 3.868 1.00 43.10 C ATOM 41 OE1 GLN A 12 -11.420 12.126 4.756 1.00 4.13 O ATOM 42 NE2 GLN A 12 -10.940 11.835 2.583 1.00 5.40 N ATOM 0 H GLN A 12 -6.130 11.131 5.131 1.00 44.40 H new ATOM 0 HA GLN A 12 -7.845 8.912 5.097 1.00 1.50 H new ATOM 0 HB2 GLN A 12 -8.324 11.462 5.189 1.00 53.20 H new ATOM 0 HB3 GLN A 12 -8.179 11.431 3.443 1.00 53.20 H new ATOM 0 HG2 GLN A 12 -9.967 9.613 3.430 1.00 61.10 H new ATOM 0 HG3 GLN A 12 -10.195 9.924 5.140 1.00 61.10 H new ATOM 0 HE21 GLN A 12 -10.418 11.315 1.878 1.00 5.40 H new ATOM 0 HE22 GLN A 12 -11.562 12.593 2.301 1.00 5.40 H new ATOM 51 N LYS A 13 -6.273 9.507 2.297 1.00 30.10 N ATOM 52 CA LYS A 13 -5.989 8.978 0.968 1.00 63.40 C ATOM 53 C LYS A 13 -5.299 7.621 1.059 1.00 55.40 C ATOM 54 O LYS A 13 -5.476 6.764 0.193 1.00 24.50 O ATOM 55 CB LYS A 13 -5.113 9.957 0.183 1.00 50.40 C ATOM 56 CG LYS A 13 -4.956 9.590 -1.284 1.00 44.20 C ATOM 57 CD LYS A 13 -6.295 9.581 -2.003 1.00 34.20 C ATOM 58 CE LYS A 13 -6.171 10.122 -3.418 1.00 64.10 C ATOM 59 NZ LYS A 13 -6.237 11.610 -3.451 1.00 34.30 N ATOM 0 H LYS A 13 -5.661 10.269 2.587 1.00 30.10 H new ATOM 0 HA LYS A 13 -6.937 8.849 0.445 1.00 63.40 H new ATOM 0 HB2 LYS A 13 -5.544 10.956 0.255 1.00 50.40 H new ATOM 0 HB3 LYS A 13 -4.127 10.001 0.646 1.00 50.40 H new ATOM 0 HG2 LYS A 13 -4.287 10.301 -1.768 1.00 44.20 H new ATOM 0 HG3 LYS A 13 -4.491 8.608 -1.367 1.00 44.20 H new ATOM 0 HD2 LYS A 13 -6.686 8.564 -2.034 1.00 34.20 H new ATOM 0 HD3 LYS A 13 -7.013 10.181 -1.444 1.00 34.20 H new ATOM 0 HE2 LYS A 13 -5.228 9.791 -3.852 1.00 64.10 H new ATOM 0 HE3 LYS A 13 -6.969 9.709 -4.036 1.00 64.10 H new ATOM 0 HZ1 LYS A 13 -6.149 11.940 -4.433 1.00 34.30 H new ATOM 0 HZ2 LYS A 13 -7.148 11.926 -3.060 1.00 34.30 H new ATOM 0 HZ3 LYS A 13 -5.461 12.005 -2.882 1.00 34.30 H new ATOM 73 N ALA A 14 -4.512 7.432 2.114 1.00 70.50 N ATOM 74 CA ALA A 14 -3.796 6.180 2.318 1.00 3.43 C ATOM 75 C ALA A 14 -4.749 5.063 2.732 1.00 44.30 C ATOM 76 O ALA A 14 -4.580 3.911 2.334 1.00 20.40 O ATOM 77 CB ALA A 14 -2.706 6.360 3.364 1.00 22.20 C ATOM 0 H ALA A 14 -4.355 8.131 2.840 1.00 70.50 H new ATOM 0 HA ALA A 14 -3.334 5.896 1.372 1.00 3.43 H new ATOM 0 HB1 ALA A 14 -2.179 5.417 3.506 1.00 22.20 H new ATOM 0 HB2 ALA A 14 -2.002 7.122 3.029 1.00 22.20 H new ATOM 0 HB3 ALA A 14 -3.155 6.671 4.307 1.00 22.20 H new ATOM 83 N ILE A 15 -5.750 5.413 3.532 1.00 3.32 N ATOM 84 CA ILE A 15 -6.730 4.441 4.000 1.00 71.50 C ATOM 85 C ILE A 15 -7.749 4.121 2.911 1.00 10.30 C ATOM 86 O ILE A 15 -8.192 2.980 2.778 1.00 15.00 O ATOM 87 CB ILE A 15 -7.474 4.948 5.250 1.00 62.40 C ATOM 88 CG1 ILE A 15 -6.478 5.466 6.288 1.00 21.10 C ATOM 89 CG2 ILE A 15 -8.336 3.842 5.839 1.00 72.40 C ATOM 90 CD1 ILE A 15 -7.114 6.325 7.360 1.00 24.40 C ATOM 0 H ILE A 15 -5.904 6.363 3.870 1.00 3.32 H new ATOM 0 HA ILE A 15 -6.179 3.536 4.257 1.00 71.50 H new ATOM 0 HB ILE A 15 -8.125 5.772 4.958 1.00 62.40 H new ATOM 0 HG12 ILE A 15 -5.983 4.617 6.760 1.00 21.10 H new ATOM 0 HG13 ILE A 15 -5.705 6.044 5.781 1.00 21.10 H new ATOM 0 HG21 ILE A 15 -8.855 4.216 6.721 1.00 72.40 H new ATOM 0 HG22 ILE A 15 -9.067 3.517 5.099 1.00 72.40 H new ATOM 0 HG23 ILE A 15 -7.705 2.999 6.120 1.00 72.40 H new ATOM 0 HD11 ILE A 15 -6.349 6.657 8.062 1.00 24.40 H new ATOM 0 HD12 ILE A 15 -7.585 7.193 6.899 1.00 24.40 H new ATOM 0 HD13 ILE A 15 -7.867 5.744 7.893 1.00 24.40 H new ATOM 102 N ASP A 16 -8.116 5.135 2.135 1.00 4.15 N ATOM 103 CA ASP A 16 -9.083 4.962 1.057 1.00 75.10 C ATOM 104 C ASP A 16 -8.579 3.951 0.032 1.00 53.20 C ATOM 105 O ASP A 16 -9.322 3.070 -0.402 1.00 71.50 O ATOM 106 CB ASP A 16 -9.363 6.302 0.374 1.00 33.20 C ATOM 107 CG ASP A 16 -10.760 6.380 -0.193 1.00 72.30 C ATOM 108 OD1 ASP A 16 -11.680 6.796 0.546 1.00 15.30 O ATOM 109 OD2 ASP A 16 -10.940 6.024 -1.376 1.00 2.22 O ATOM 0 H ASP A 16 -7.759 6.085 2.232 1.00 4.15 H new ATOM 0 HA ASP A 16 -10.009 4.583 1.490 1.00 75.10 H new ATOM 0 HB2 ASP A 16 -9.220 7.109 1.092 1.00 33.20 H new ATOM 0 HB3 ASP A 16 -8.640 6.456 -0.427 1.00 33.20 H new ATOM 114 N LEU A 17 -7.313 4.083 -0.350 1.00 71.20 N ATOM 115 CA LEU A 17 -6.710 3.181 -1.324 1.00 31.20 C ATOM 116 C LEU A 17 -6.477 1.802 -0.716 1.00 21.30 C ATOM 117 O LEU A 17 -6.644 0.782 -1.384 1.00 74.50 O ATOM 118 CB LEU A 17 -5.388 3.757 -1.833 1.00 71.30 C ATOM 119 CG LEU A 17 -5.525 4.910 -2.829 1.00 22.50 C ATOM 120 CD1 LEU A 17 -4.368 5.886 -2.678 1.00 25.10 C ATOM 121 CD2 LEU A 17 -5.593 4.378 -4.253 1.00 55.50 C ATOM 0 H LEU A 17 -6.685 4.806 0.000 1.00 71.20 H new ATOM 0 HA LEU A 17 -7.399 3.077 -2.162 1.00 31.20 H new ATOM 0 HB2 LEU A 17 -4.807 4.103 -0.978 1.00 71.30 H new ATOM 0 HB3 LEU A 17 -4.818 2.956 -2.304 1.00 71.30 H new ATOM 0 HG LEU A 17 -6.452 5.442 -2.615 1.00 22.50 H new ATOM 0 HD11 LEU A 17 -4.482 6.699 -3.394 1.00 25.10 H new ATOM 0 HD12 LEU A 17 -4.364 6.292 -1.666 1.00 25.10 H new ATOM 0 HD13 LEU A 17 -3.428 5.367 -2.865 1.00 25.10 H new ATOM 0 HD21 LEU A 17 -5.690 5.212 -4.949 1.00 55.50 H new ATOM 0 HD22 LEU A 17 -4.683 3.822 -4.478 1.00 55.50 H new ATOM 0 HD23 LEU A 17 -6.455 3.718 -4.354 1.00 55.50 H new ATOM 133 N ALA A 18 -6.090 1.779 0.555 1.00 44.10 N ATOM 134 CA ALA A 18 -5.834 0.525 1.253 1.00 60.20 C ATOM 135 C ALA A 18 -7.081 -0.351 1.283 1.00 64.40 C ATOM 136 O ALA A 18 -6.991 -1.578 1.237 1.00 63.20 O ATOM 137 CB ALA A 18 -5.345 0.800 2.668 1.00 62.40 C ATOM 0 H ALA A 18 -5.947 2.614 1.122 1.00 44.10 H new ATOM 0 HA ALA A 18 -5.057 -0.013 0.710 1.00 60.20 H new ATOM 0 HB1 ALA A 18 -5.158 -0.145 3.178 1.00 62.40 H new ATOM 0 HB2 ALA A 18 -4.423 1.380 2.628 1.00 62.40 H new ATOM 0 HB3 ALA A 18 -6.104 1.362 3.212 1.00 62.40 H new ATOM 143 N SER A 19 -8.244 0.287 1.361 1.00 41.20 N ATOM 144 CA SER A 19 -9.511 -0.435 1.397 1.00 71.00 C ATOM 145 C SER A 19 -9.868 -0.976 0.016 1.00 34.20 C ATOM 146 O SER A 19 -10.250 -2.136 -0.126 1.00 21.50 O ATOM 147 CB SER A 19 -10.620 0.478 1.904 1.00 44.40 C ATOM 148 OG SER A 19 -11.590 -0.254 2.644 1.00 1.33 O ATOM 0 H SER A 19 -8.336 1.302 1.400 1.00 41.20 H new ATOM 0 HA SER A 19 -9.404 -1.279 2.078 1.00 71.00 H new ATOM 0 HB2 SER A 19 -10.193 1.259 2.532 1.00 44.40 H new ATOM 0 HB3 SER A 19 -11.100 0.974 1.061 1.00 44.40 H new ATOM 0 HG SER A 19 -12.289 0.356 2.959 1.00 1.33 H new ATOM 154 N LYS A 20 -9.734 -0.128 -0.999 1.00 2.13 N ATOM 155 CA LYS A 20 -10.040 -0.522 -2.369 1.00 2.23 C ATOM 156 C LYS A 20 -9.044 -1.558 -2.875 1.00 52.40 C ATOM 157 O LYS A 20 -9.421 -2.528 -3.533 1.00 33.50 O ATOM 158 CB LYS A 20 -10.030 0.702 -3.287 1.00 55.10 C ATOM 159 CG LYS A 20 -11.380 1.392 -3.392 1.00 10.10 C ATOM 160 CD LYS A 20 -11.570 2.036 -4.756 1.00 41.30 C ATOM 161 CE LYS A 20 -11.800 0.993 -5.838 1.00 23.10 C ATOM 162 NZ LYS A 20 -13.230 0.591 -5.929 1.00 21.10 N ATOM 0 H LYS A 20 -9.416 0.836 -0.898 1.00 2.13 H new ATOM 0 HA LYS A 20 -11.035 -0.968 -2.378 1.00 2.23 H new ATOM 0 HB2 LYS A 20 -9.293 1.416 -2.919 1.00 55.10 H new ATOM 0 HB3 LYS A 20 -9.708 0.397 -4.283 1.00 55.10 H new ATOM 0 HG2 LYS A 20 -12.175 0.667 -3.216 1.00 10.10 H new ATOM 0 HG3 LYS A 20 -11.463 2.152 -2.615 1.00 10.10 H new ATOM 0 HD2 LYS A 20 -12.419 2.719 -4.722 1.00 41.30 H new ATOM 0 HD3 LYS A 20 -10.691 2.631 -5.004 1.00 41.30 H new ATOM 0 HE2 LYS A 20 -11.473 1.389 -6.799 1.00 23.10 H new ATOM 0 HE3 LYS A 20 -11.189 0.115 -5.631 1.00 23.10 H new ATOM 0 HZ1 LYS A 20 -13.343 -0.121 -6.678 1.00 21.10 H new ATOM 0 HZ2 LYS A 20 -13.536 0.189 -5.020 1.00 21.10 H new ATOM 0 HZ3 LYS A 20 -13.811 1.424 -6.152 1.00 21.10 H new ATOM 176 N ALA A 21 -7.770 -1.345 -2.565 1.00 70.00 N ATOM 177 CA ALA A 21 -6.717 -2.261 -2.988 1.00 70.50 C ATOM 178 C ALA A 21 -6.951 -3.661 -2.432 1.00 25.50 C ATOM 179 O ALA A 21 -6.888 -4.649 -3.163 1.00 23.30 O ATOM 180 CB ALA A 21 -5.357 -1.738 -2.552 1.00 12.50 C ATOM 0 H ALA A 21 -7.441 -0.546 -2.022 1.00 70.00 H new ATOM 0 HA ALA A 21 -6.739 -2.323 -4.076 1.00 70.50 H new ATOM 0 HB1 ALA A 21 -4.580 -2.431 -2.874 1.00 12.50 H new ATOM 0 HB2 ALA A 21 -5.181 -0.761 -3.003 1.00 12.50 H new ATOM 0 HB3 ALA A 21 -5.334 -1.646 -1.466 1.00 12.50 H new ATOM 186 N ALA A 22 -7.222 -3.738 -1.133 1.00 34.10 N ATOM 187 CA ALA A 22 -7.466 -5.018 -0.479 1.00 42.30 C ATOM 188 C ALA A 22 -8.663 -5.731 -1.097 1.00 15.50 C ATOM 189 O ALA A 22 -8.680 -6.958 -1.205 1.00 4.51 O ATOM 190 CB ALA A 22 -7.684 -4.814 1.013 1.00 32.50 C ATOM 0 H ALA A 22 -7.278 -2.930 -0.513 1.00 34.10 H new ATOM 0 HA ALA A 22 -6.587 -5.646 -0.625 1.00 42.30 H new ATOM 0 HB1 ALA A 22 -7.865 -5.778 1.489 1.00 32.50 H new ATOM 0 HB2 ALA A 22 -6.798 -4.354 1.451 1.00 32.50 H new ATOM 0 HB3 ALA A 22 -8.545 -4.164 1.169 1.00 32.50 H new ATOM 196 N GLN A 23 -9.663 -4.956 -1.502 1.00 53.50 N ATOM 197 CA GLN A 23 -10.860 -5.514 -2.110 1.00 63.10 C ATOM 198 C GLN A 23 -10.610 -5.888 -3.568 1.00 41.10 C ATOM 199 O GLN A 23 -11.150 -6.875 -4.067 1.00 62.10 O ATOM 200 CB GLN A 23 -12.020 -4.514 -2.020 1.00 33.40 C ATOM 201 CG GLN A 23 -12.790 -4.594 -0.713 1.00 41.40 C ATOM 202 CD GLN A 23 -14.270 -4.363 -0.900 1.00 14.30 C ATOM 203 OE1 GLN A 23 -14.730 -3.223 -0.986 1.00 21.40 O ATOM 204 NE2 GLN A 23 -15.040 -5.448 -0.963 1.00 24.00 N ATOM 0 H GLN A 23 -9.666 -3.939 -1.419 1.00 53.50 H new ATOM 0 HA GLN A 23 -11.124 -6.419 -1.562 1.00 63.10 H new ATOM 0 HB2 GLN A 23 -11.628 -3.504 -2.140 1.00 33.40 H new ATOM 0 HB3 GLN A 23 -12.706 -4.691 -2.848 1.00 33.40 H new ATOM 0 HG2 GLN A 23 -12.632 -5.573 -0.261 1.00 41.40 H new ATOM 0 HG3 GLN A 23 -12.395 -3.855 -0.016 1.00 41.40 H new ATOM 0 HE21 GLN A 23 -14.622 -6.375 -0.888 1.00 24.00 H new ATOM 0 HE22 GLN A 23 -16.048 -5.352 -1.087 1.00 24.00 H new ATOM 213 N GLU A 24 -9.793 -5.092 -4.244 1.00 2.14 N ATOM 214 CA GLU A 24 -9.470 -5.339 -5.645 1.00 33.20 C ATOM 215 C GLU A 24 -8.799 -6.698 -5.816 1.00 70.00 C ATOM 216 O GLU A 24 -9.230 -7.516 -6.630 1.00 53.50 O ATOM 217 CB GLU A 24 -8.558 -4.236 -6.182 1.00 31.30 C ATOM 218 CG GLU A 24 -9.263 -2.903 -6.374 1.00 10.30 C ATOM 219 CD GLU A 24 -9.613 -2.632 -7.824 1.00 61.10 C ATOM 220 OE1 GLU A 24 -9.759 -3.606 -8.591 1.00 73.30 O ATOM 221 OE2 GLU A 24 -9.741 -1.445 -8.192 1.00 3.41 O ATOM 0 H GLU A 24 -9.341 -4.269 -3.846 1.00 2.14 H new ATOM 0 HA GLU A 24 -10.401 -5.339 -6.212 1.00 33.20 H new ATOM 0 HB2 GLU A 24 -7.723 -4.100 -5.495 1.00 31.30 H new ATOM 0 HB3 GLU A 24 -8.138 -4.556 -7.135 1.00 31.30 H new ATOM 0 HG2 GLU A 24 -10.174 -2.888 -5.775 1.00 10.30 H new ATOM 0 HG3 GLU A 24 -8.624 -2.102 -6.002 1.00 10.30 H new ATOM 228 N ASP A 25 -7.743 -6.933 -5.045 1.00 65.20 N ATOM 229 CA ASP A 25 -7.012 -8.193 -5.112 1.00 43.40 C ATOM 230 C ASP A 25 -7.915 -9.365 -4.742 1.00 33.10 C ATOM 231 O ASP A 25 -7.946 -10.380 -5.437 1.00 33.00 O ATOM 232 CB ASP A 25 -5.800 -8.153 -4.180 1.00 32.30 C ATOM 233 CG ASP A 25 -4.834 -9.293 -4.439 1.00 54.00 C ATOM 234 OD1 ASP A 25 -5.286 -10.450 -4.483 1.00 11.40 O ATOM 235 OD2 ASP A 25 -3.625 -9.022 -4.598 1.00 34.10 O ATOM 0 H ASP A 25 -7.374 -6.267 -4.366 1.00 65.20 H new ATOM 0 HA ASP A 25 -6.668 -8.332 -6.137 1.00 43.40 H new ATOM 0 HB2 ASP A 25 -5.280 -7.204 -4.306 1.00 32.30 H new ATOM 0 HB3 ASP A 25 -6.139 -8.196 -3.145 1.00 32.30 H new ATOM 240 N LYS A 26 -8.647 -9.218 -3.643 1.00 73.30 N ATOM 241 CA LYS A 26 -9.551 -10.260 -3.180 1.00 21.50 C ATOM 242 C LYS A 26 -10.630 -10.550 -4.220 1.00 41.20 C ATOM 243 O LYS A 26 -11.100 -11.670 -4.342 1.00 30.50 O ATOM 244 CB LYS A 26 -10.190 -9.860 -1.855 1.00 11.20 C ATOM 245 CG LYS A 26 -9.255 -9.948 -0.666 1.00 34.20 C ATOM 246 CD LYS A 26 -9.904 -9.411 0.600 1.00 72.20 C ATOM 247 CE LYS A 26 -10.530 -10.520 1.421 1.00 24.30 C ATOM 248 NZ LYS A 26 -11.950 -10.750 1.057 1.00 55.40 N ATOM 0 H LYS A 26 -8.630 -8.384 -3.056 1.00 73.30 H new ATOM 0 HA LYS A 26 -8.969 -11.169 -3.030 1.00 21.50 H new ATOM 0 HB2 LYS A 26 -10.561 -8.838 -1.937 1.00 11.20 H new ATOM 0 HB3 LYS A 26 -11.054 -10.500 -1.673 1.00 11.20 H new ATOM 0 HG2 LYS A 26 -8.959 -10.986 -0.511 1.00 34.20 H new ATOM 0 HG3 LYS A 26 -8.345 -9.385 -0.876 1.00 34.20 H new ATOM 0 HD2 LYS A 26 -9.157 -8.891 1.200 1.00 72.20 H new ATOM 0 HD3 LYS A 26 -10.667 -8.679 0.336 1.00 72.20 H new ATOM 0 HE2 LYS A 26 -9.965 -11.441 1.276 1.00 24.30 H new ATOM 0 HE3 LYS A 26 -10.464 -10.269 2.480 1.00 24.30 H new ATOM 0 HZ1 LYS A 26 -12.555 -10.559 1.881 1.00 55.40 H new ATOM 0 HZ2 LYS A 26 -12.216 -10.115 0.278 1.00 55.40 H new ATOM 0 HZ3 LYS A 26 -12.076 -11.738 0.756 1.00 55.40 H new ATOM 262 N ALA A 27 -11.010 -9.520 -4.967 1.00 62.40 N ATOM 263 CA ALA A 27 -12.030 -9.660 -5.996 1.00 15.20 C ATOM 264 C ALA A 27 -11.480 -10.380 -7.222 1.00 61.00 C ATOM 265 O ALA A 27 -12.170 -11.190 -7.841 1.00 72.10 O ATOM 266 CB ALA A 27 -12.580 -8.295 -6.387 1.00 44.30 C ATOM 0 H ALA A 27 -10.626 -8.579 -4.878 1.00 62.40 H new ATOM 0 HA ALA A 27 -12.841 -10.262 -5.586 1.00 15.20 H new ATOM 0 HB1 ALA A 27 -13.342 -8.417 -7.157 1.00 44.30 H new ATOM 0 HB2 ALA A 27 -13.021 -7.817 -5.513 1.00 44.30 H new ATOM 0 HB3 ALA A 27 -11.771 -7.673 -6.771 1.00 44.30 H new ATOM 272 N GLY A 28 -10.230 -10.080 -7.566 1.00 75.40 N ATOM 273 CA GLY A 28 -9.615 -10.710 -8.716 1.00 3.53 C ATOM 274 C GLY A 28 -8.635 -9.797 -9.421 1.00 12.10 C ATOM 275 O GLY A 28 -7.673 -10.250 -10.030 1.00 65.40 O ATOM 0 H GLY A 28 -9.637 -9.415 -7.070 1.00 75.40 H new ATOM 0 HA2 GLY A 28 -9.099 -11.616 -8.397 1.00 3.53 H new ATOM 0 HA3 GLY A 28 -10.391 -11.016 -9.417 1.00 3.53 H new ATOM 279 N ASN A 29 -8.881 -8.494 -9.335 1.00 31.20 N ATOM 280 CA ASN A 29 -8.013 -7.509 -9.970 1.00 15.40 C ATOM 281 C ASN A 29 -6.682 -7.401 -9.233 1.00 31.30 C ATOM 282 O ASN A 29 -6.639 -7.032 -8.060 1.00 62.20 O ATOM 283 CB ASN A 29 -8.700 -6.143 -10.000 1.00 65.20 C ATOM 284 CG ASN A 29 -10.020 -6.182 -10.750 1.00 12.20 C ATOM 285 OD1 ASN A 29 -10.400 -7.209 -11.310 1.00 53.40 O ATOM 286 ND2 ASN A 29 -10.730 -5.058 -10.750 1.00 13.40 N ATOM 0 H ASN A 29 -9.674 -8.096 -8.832 1.00 31.20 H new ATOM 0 HA ASN A 29 -7.818 -7.837 -10.991 1.00 15.40 H new ATOM 0 HB2 ASN A 29 -8.874 -5.803 -8.979 1.00 65.20 H new ATOM 0 HB3 ASN A 29 -8.038 -5.415 -10.470 1.00 65.20 H new ATOM 0 HD21 ASN A 29 -11.630 -5.023 -11.228 1.00 13.40 H new ATOM 0 HD22 ASN A 29 -10.374 -4.230 -10.272 1.00 13.40 H new ATOM 293 N TYR A 30 -5.598 -7.725 -9.930 1.00 33.30 N ATOM 294 CA TYR A 30 -4.265 -7.665 -9.342 1.00 64.10 C ATOM 295 C TYR A 30 -3.515 -6.425 -9.819 1.00 2.02 C ATOM 296 O TYR A 30 -2.846 -5.752 -9.036 1.00 55.30 O ATOM 297 CB TYR A 30 -3.471 -8.923 -9.695 1.00 74.40 C ATOM 298 CG TYR A 30 -3.730 -10.080 -8.764 1.00 41.20 C ATOM 299 CD1 TYR A 30 -5.019 -10.390 -8.346 1.00 64.40 C ATOM 300 CD2 TYR A 30 -2.685 -10.870 -8.302 1.00 71.20 C ATOM 301 CE1 TYR A 30 -5.260 -11.450 -7.495 1.00 1.13 C ATOM 302 CE2 TYR A 30 -2.918 -11.940 -7.451 1.00 34.00 C ATOM 303 CZ TYR A 30 -4.207 -12.220 -7.050 1.00 35.30 C ATOM 304 OH TYR A 30 -4.443 -13.280 -6.203 1.00 2.51 O ATOM 0 H TYR A 30 -5.617 -8.032 -10.903 1.00 33.30 H new ATOM 0 HA TYR A 30 -4.376 -7.606 -8.259 1.00 64.10 H new ATOM 0 HB2 TYR A 30 -3.717 -9.224 -10.713 1.00 74.40 H new ATOM 0 HB3 TYR A 30 -2.407 -8.687 -9.681 1.00 74.40 H new ATOM 0 HD1 TYR A 30 -5.847 -9.790 -8.693 1.00 64.40 H new ATOM 0 HD2 TYR A 30 -1.674 -10.647 -8.611 1.00 71.20 H new ATOM 0 HE1 TYR A 30 -6.268 -11.675 -7.180 1.00 1.13 H new ATOM 0 HE2 TYR A 30 -2.096 -12.549 -7.105 1.00 34.00 H new ATOM 0 HH TYR A 30 -3.595 -13.720 -5.985 1.00 2.51 H new ATOM 314 N GLU A 31 -3.632 -6.130 -11.110 1.00 12.10 N ATOM 315 CA GLU A 31 -2.965 -4.972 -11.690 1.00 54.10 C ATOM 316 C GLU A 31 -3.427 -3.682 -11.020 1.00 50.20 C ATOM 317 O GLU A 31 -2.615 -2.910 -10.510 1.00 52.00 O ATOM 318 CB GLU A 31 -3.237 -4.905 -13.190 1.00 71.10 C ATOM 319 CG GLU A 31 -2.002 -4.586 -14.020 1.00 34.40 C ATOM 320 CD GLU A 31 -2.297 -3.637 -15.160 1.00 3.25 C ATOM 321 OE1 GLU A 31 -2.480 -2.430 -14.900 1.00 1.30 O ATOM 322 OE2 GLU A 31 -2.343 -4.102 -16.320 1.00 44.00 O ATOM 0 H GLU A 31 -4.182 -6.677 -11.773 1.00 12.10 H new ATOM 0 HA GLU A 31 -1.893 -5.080 -11.524 1.00 54.10 H new ATOM 0 HB2 GLU A 31 -3.649 -5.859 -13.519 1.00 71.10 H new ATOM 0 HB3 GLU A 31 -3.997 -4.147 -13.379 1.00 71.10 H new ATOM 0 HG2 GLU A 31 -1.239 -4.149 -13.376 1.00 34.40 H new ATOM 0 HG3 GLU A 31 -1.589 -5.512 -14.420 1.00 34.40 H new ATOM 329 N GLU A 32 -4.737 -3.456 -11.020 1.00 51.30 N ATOM 330 CA GLU A 32 -5.308 -2.261 -10.410 1.00 2.21 C ATOM 331 C GLU A 32 -5.020 -2.223 -8.916 1.00 42.30 C ATOM 332 O GLU A 32 -4.682 -1.176 -8.365 1.00 32.00 O ATOM 333 CB GLU A 32 -6.817 -2.210 -10.650 1.00 12.30 C ATOM 334 CG GLU A 32 -7.403 -0.811 -10.540 1.00 25.00 C ATOM 335 CD GLU A 32 -7.618 -0.163 -11.900 1.00 33.40 C ATOM 336 OE1 GLU A 32 -8.052 -0.870 -12.830 1.00 35.50 O ATOM 337 OE2 GLU A 32 -7.352 1.050 -12.020 1.00 1.53 O ATOM 0 H GLU A 32 -5.423 -4.086 -11.436 1.00 51.30 H new ATOM 0 HA GLU A 32 -4.844 -1.391 -10.874 1.00 2.21 H new ATOM 0 HB2 GLU A 32 -7.033 -2.608 -11.641 1.00 12.30 H new ATOM 0 HB3 GLU A 32 -7.313 -2.861 -9.930 1.00 12.30 H new ATOM 0 HG2 GLU A 32 -8.354 -0.859 -10.009 1.00 25.00 H new ATOM 0 HG3 GLU A 32 -6.737 -0.187 -9.945 1.00 25.00 H new ATOM 344 N ALA A 33 -5.158 -3.373 -8.264 1.00 23.10 N ATOM 345 CA ALA A 33 -4.913 -3.472 -6.830 1.00 11.10 C ATOM 346 C ALA A 33 -3.458 -3.156 -6.499 1.00 31.40 C ATOM 347 O ALA A 33 -3.163 -2.552 -5.467 1.00 24.10 O ATOM 348 CB ALA A 33 -5.282 -4.859 -6.326 1.00 74.20 C ATOM 0 H ALA A 33 -5.438 -4.249 -8.706 1.00 23.10 H new ATOM 0 HA ALA A 33 -5.541 -2.736 -6.327 1.00 11.10 H new ATOM 0 HB1 ALA A 33 -5.094 -4.919 -5.254 1.00 74.20 H new ATOM 0 HB2 ALA A 33 -6.338 -5.048 -6.520 1.00 74.20 H new ATOM 0 HB3 ALA A 33 -4.679 -5.606 -6.842 1.00 74.20 H new ATOM 354 N LEU A 34 -2.553 -3.569 -7.380 1.00 32.00 N ATOM 355 CA LEU A 34 -1.128 -3.330 -7.181 1.00 15.30 C ATOM 356 C LEU A 34 -0.830 -1.835 -7.130 1.00 10.40 C ATOM 357 O LEU A 34 -0.144 -1.359 -6.225 1.00 23.20 O ATOM 358 CB LEU A 34 -0.319 -3.986 -8.301 1.00 2.33 C ATOM 359 CG LEU A 34 1.192 -3.760 -8.226 1.00 23.20 C ATOM 360 CD1 LEU A 34 1.774 -4.449 -7.001 1.00 25.20 C ATOM 361 CD2 LEU A 34 1.869 -4.261 -9.493 1.00 74.30 C ATOM 0 H LEU A 34 -2.781 -4.071 -8.238 1.00 32.00 H new ATOM 0 HA LEU A 34 -0.840 -3.772 -6.227 1.00 15.30 H new ATOM 0 HB2 LEU A 34 -0.512 -5.059 -8.287 1.00 2.33 H new ATOM 0 HB3 LEU A 34 -0.680 -3.609 -9.258 1.00 2.33 H new ATOM 0 HG LEU A 34 1.376 -2.689 -8.138 1.00 23.20 H new ATOM 0 HD11 LEU A 34 2.850 -4.278 -6.964 1.00 25.20 H new ATOM 0 HD12 LEU A 34 1.311 -4.044 -6.101 1.00 25.20 H new ATOM 0 HD13 LEU A 34 1.579 -5.520 -7.059 1.00 25.20 H new ATOM 0 HD21 LEU A 34 2.944 -4.092 -9.422 1.00 74.30 H new ATOM 0 HD22 LEU A 34 1.676 -5.327 -9.611 1.00 74.30 H new ATOM 0 HD23 LEU A 34 1.473 -3.723 -10.354 1.00 74.30 H new ATOM 373 N GLN A 35 -1.349 -1.099 -8.108 1.00 10.40 N ATOM 374 CA GLN A 35 -1.137 0.342 -8.174 1.00 33.40 C ATOM 375 C GLN A 35 -1.712 1.033 -6.942 1.00 60.40 C ATOM 376 O GLN A 35 -1.156 2.018 -6.455 1.00 41.30 O ATOM 377 CB GLN A 35 -1.779 0.915 -9.440 1.00 42.10 C ATOM 378 CG GLN A 35 -1.179 0.370 -10.720 1.00 10.40 C ATOM 379 CD GLN A 35 -2.137 0.453 -11.890 1.00 41.30 C ATOM 380 OE1 GLN A 35 -3.355 0.438 -11.720 1.00 63.10 O ATOM 381 NE2 GLN A 35 -1.591 0.541 -13.100 1.00 64.00 N ATOM 0 H GLN A 35 -1.919 -1.477 -8.865 1.00 10.40 H new ATOM 0 HA GLN A 35 -0.063 0.526 -8.204 1.00 33.40 H new ATOM 0 HB2 GLN A 35 -2.847 0.697 -9.427 1.00 42.10 H new ATOM 0 HB3 GLN A 35 -1.675 2.000 -9.432 1.00 42.10 H new ATOM 0 HG2 GLN A 35 -0.272 0.925 -10.957 1.00 10.40 H new ATOM 0 HG3 GLN A 35 -0.886 -0.669 -10.567 1.00 10.40 H new ATOM 0 HE21 GLN A 35 -0.576 0.551 -13.202 1.00 64.00 H new ATOM 0 HE22 GLN A 35 -2.187 0.599 -13.926 1.00 64.00 H new ATOM 390 N LEU A 36 -2.827 0.511 -6.442 1.00 33.40 N ATOM 391 CA LEU A 36 -3.476 1.078 -5.266 1.00 72.00 C ATOM 392 C LEU A 36 -2.670 0.784 -4.005 1.00 52.20 C ATOM 393 O LEU A 36 -2.553 1.632 -3.120 1.00 32.00 O ATOM 394 CB LEU A 36 -4.893 0.520 -5.121 1.00 73.10 C ATOM 395 CG LEU A 36 -5.829 0.816 -6.295 1.00 42.00 C ATOM 396 CD1 LEU A 36 -6.943 -0.217 -6.363 1.00 62.10 C ATOM 397 CD2 LEU A 36 -6.406 2.218 -6.175 1.00 30.10 C ATOM 0 H LEU A 36 -3.300 -0.304 -6.833 1.00 33.40 H new ATOM 0 HA LEU A 36 -3.530 2.159 -5.397 1.00 72.00 H new ATOM 0 HB2 LEU A 36 -4.830 -0.560 -4.990 1.00 73.10 H new ATOM 0 HB3 LEU A 36 -5.336 0.926 -4.212 1.00 73.10 H new ATOM 0 HG LEU A 36 -5.253 0.759 -7.218 1.00 42.00 H new ATOM 0 HD11 LEU A 36 -7.599 0.010 -7.204 1.00 62.10 H new ATOM 0 HD12 LEU A 36 -6.512 -1.209 -6.496 1.00 62.10 H new ATOM 0 HD13 LEU A 36 -7.518 -0.193 -5.438 1.00 62.10 H new ATOM 0 HD21 LEU A 36 -7.069 2.412 -7.018 1.00 30.10 H new ATOM 0 HD22 LEU A 36 -6.968 2.302 -5.245 1.00 30.10 H new ATOM 0 HD23 LEU A 36 -5.595 2.946 -6.176 1.00 30.10 H new ATOM 409 N TYR A 37 -2.117 -0.422 -3.930 1.00 2.11 N ATOM 410 CA TYR A 37 -1.322 -0.827 -2.777 1.00 14.20 C ATOM 411 C TYR A 37 -0.108 0.080 -2.607 1.00 12.10 C ATOM 412 O TYR A 37 0.139 0.607 -1.522 1.00 44.10 O ATOM 413 CB TYR A 37 -0.869 -2.280 -2.929 1.00 63.20 C ATOM 414 CG TYR A 37 -1.980 -3.286 -2.729 1.00 20.30 C ATOM 415 CD1 TYR A 37 -2.849 -3.184 -1.649 1.00 70.10 C ATOM 416 CD2 TYR A 37 -2.161 -4.337 -3.620 1.00 1.44 C ATOM 417 CE1 TYR A 37 -3.866 -4.101 -1.463 1.00 64.10 C ATOM 418 CE2 TYR A 37 -3.176 -5.257 -3.440 1.00 74.10 C ATOM 419 CZ TYR A 37 -4.025 -5.135 -2.361 1.00 25.40 C ATOM 420 OH TYR A 37 -5.036 -6.050 -2.179 1.00 20.10 O ATOM 0 H TYR A 37 -2.205 -1.135 -4.654 1.00 2.11 H new ATOM 0 HA TYR A 37 -1.946 -0.739 -1.888 1.00 14.20 H new ATOM 0 HB2 TYR A 37 -0.442 -2.416 -3.922 1.00 63.20 H new ATOM 0 HB3 TYR A 37 -0.075 -2.481 -2.210 1.00 63.20 H new ATOM 0 HD1 TYR A 37 -2.727 -2.375 -0.944 1.00 70.10 H new ATOM 0 HD2 TYR A 37 -1.498 -4.436 -4.467 1.00 1.44 H new ATOM 0 HE1 TYR A 37 -4.533 -4.008 -0.619 1.00 64.10 H new ATOM 0 HE2 TYR A 37 -3.304 -6.068 -4.142 1.00 74.10 H new ATOM 0 HH TYR A 37 -5.814 -5.789 -2.716 1.00 20.10 H new ATOM 430 N GLN A 38 0.648 0.258 -3.686 1.00 45.40 N ATOM 431 CA GLN A 38 1.836 1.102 -3.656 1.00 0.53 C ATOM 432 C GLN A 38 1.477 2.536 -3.279 1.00 22.20 C ATOM 433 O GLN A 38 2.217 3.203 -2.556 1.00 22.40 O ATOM 434 CB GLN A 38 2.537 1.081 -5.015 1.00 20.20 C ATOM 435 CG GLN A 38 3.153 -0.265 -5.361 1.00 33.30 C ATOM 436 CD GLN A 38 3.027 -0.604 -6.833 1.00 52.50 C ATOM 437 OE1 GLN A 38 2.469 0.168 -7.614 1.00 2.21 O ATOM 438 NE2 GLN A 38 3.546 -1.763 -7.221 1.00 45.30 N ATOM 0 H GLN A 38 0.458 -0.171 -4.592 1.00 45.40 H new ATOM 0 HA GLN A 38 2.513 0.705 -2.899 1.00 0.53 H new ATOM 0 HB2 GLN A 38 1.819 1.352 -5.789 1.00 20.20 H new ATOM 0 HB3 GLN A 38 3.318 1.842 -5.024 1.00 20.20 H new ATOM 0 HG2 GLN A 38 4.207 -0.260 -5.082 1.00 33.30 H new ATOM 0 HG3 GLN A 38 2.670 -1.044 -4.770 1.00 33.30 H new ATOM 0 HE21 GLN A 38 4.000 -2.372 -6.540 1.00 45.30 H new ATOM 0 HE22 GLN A 38 3.491 -2.044 -8.200 1.00 45.30 H new ATOM 447 N HIS A 39 0.335 3.004 -3.773 1.00 1.44 N ATOM 448 CA HIS A 39 -0.122 4.359 -3.488 1.00 62.50 C ATOM 449 C HIS A 39 -0.325 4.560 -1.990 1.00 4.53 C ATOM 450 O HIS A 39 0.104 5.567 -1.425 1.00 31.30 O ATOM 451 CB HIS A 39 -1.427 4.646 -4.234 1.00 54.40 C ATOM 452 CG HIS A 39 -1.221 5.250 -5.588 1.00 25.00 C ATOM 453 ND1 HIS A 39 -2.256 5.720 -6.369 1.00 44.10 N ATOM 454 CD2 HIS A 39 -0.089 5.461 -6.302 1.00 73.40 C ATOM 455 CE1 HIS A 39 -1.770 6.193 -7.503 1.00 61.20 C ATOM 456 NE2 HIS A 39 -0.459 6.048 -7.487 1.00 42.30 N ATOM 0 H HIS A 39 -0.290 2.465 -4.372 1.00 1.44 H new ATOM 0 HA HIS A 39 0.645 5.054 -3.829 1.00 62.50 H new ATOM 0 HB2 HIS A 39 -1.987 3.717 -4.341 1.00 54.40 H new ATOM 0 HB3 HIS A 39 -2.039 5.320 -3.634 1.00 54.40 H new ATOM 0 HD2 HIS A 39 0.917 5.214 -5.996 1.00 73.40 H new ATOM 0 HE1 HIS A 39 -2.348 6.625 -8.307 1.00 61.20 H new ATOM 0 HE2 HIS A 39 0.177 6.327 -8.234 1.00 42.30 H new ATOM 465 N ALA A 40 -0.981 3.597 -1.351 1.00 22.40 N ATOM 466 CA ALA A 40 -1.241 3.668 0.082 1.00 45.20 C ATOM 467 C ALA A 40 0.059 3.784 0.871 1.00 63.40 C ATOM 468 O ALA A 40 0.128 4.499 1.871 1.00 71.00 O ATOM 469 CB ALA A 40 -2.029 2.449 0.536 1.00 54.40 C ATOM 0 H ALA A 40 -1.343 2.757 -1.804 1.00 22.40 H new ATOM 0 HA ALA A 40 -1.833 4.562 0.275 1.00 45.20 H new ATOM 0 HB1 ALA A 40 -2.216 2.515 1.608 1.00 54.40 H new ATOM 0 HB2 ALA A 40 -2.979 2.411 0.003 1.00 54.40 H new ATOM 0 HB3 ALA A 40 -1.457 1.546 0.323 1.00 54.40 H new ATOM 475 N VAL A 41 1.087 3.077 0.415 1.00 25.00 N ATOM 476 CA VAL A 41 2.385 3.101 1.079 1.00 23.50 C ATOM 477 C VAL A 41 3.010 4.490 1.013 1.00 54.40 C ATOM 478 O VAL A 41 3.519 5.001 2.010 1.00 24.10 O ATOM 479 CB VAL A 41 3.356 2.083 0.452 1.00 0.13 C ATOM 480 CG1 VAL A 41 4.629 1.980 1.278 1.00 3.34 C ATOM 481 CG2 VAL A 41 2.689 0.723 0.315 1.00 73.00 C ATOM 0 H VAL A 41 1.047 2.480 -0.411 1.00 25.00 H new ATOM 0 HA VAL A 41 2.212 2.832 2.121 1.00 23.50 H new ATOM 0 HB VAL A 41 3.625 2.432 -0.545 1.00 0.13 H new ATOM 0 HG11 VAL A 41 5.303 1.256 0.819 1.00 3.34 H new ATOM 0 HG12 VAL A 41 5.116 2.954 1.319 1.00 3.34 H new ATOM 0 HG13 VAL A 41 4.382 1.656 2.289 1.00 3.34 H new ATOM 0 HG21 VAL A 41 3.390 0.017 -0.130 1.00 73.00 H new ATOM 0 HG22 VAL A 41 2.388 0.364 1.299 1.00 73.00 H new ATOM 0 HG23 VAL A 41 1.810 0.812 -0.323 1.00 73.00 H new ATOM 491 N GLN A 42 2.968 5.096 -0.169 1.00 31.40 N ATOM 492 CA GLN A 42 3.530 6.427 -0.366 1.00 20.50 C ATOM 493 C GLN A 42 2.838 7.448 0.532 1.00 62.50 C ATOM 494 O GLN A 42 3.478 8.351 1.070 1.00 25.10 O ATOM 495 CB GLN A 42 3.399 6.848 -1.831 1.00 71.30 C ATOM 496 CG GLN A 42 4.567 6.406 -2.697 1.00 5.31 C ATOM 497 CD GLN A 42 5.626 7.481 -2.840 1.00 15.10 C ATOM 498 OE1 GLN A 42 5.667 8.200 -3.838 1.00 24.50 O ATOM 499 NE2 GLN A 42 6.492 7.596 -1.839 1.00 51.40 N ATOM 0 H GLN A 42 2.551 4.686 -1.005 1.00 31.40 H new ATOM 0 HA GLN A 42 4.586 6.391 -0.099 1.00 20.50 H new ATOM 0 HB2 GLN A 42 2.477 6.433 -2.239 1.00 71.30 H new ATOM 0 HB3 GLN A 42 3.310 7.933 -1.882 1.00 71.30 H new ATOM 0 HG2 GLN A 42 5.017 5.513 -2.265 1.00 5.31 H new ATOM 0 HG3 GLN A 42 4.198 6.131 -3.685 1.00 5.31 H new ATOM 0 HE21 GLN A 42 6.421 6.979 -1.030 1.00 51.40 H new ATOM 0 HE22 GLN A 42 7.227 8.302 -1.879 1.00 51.40 H new ATOM 508 N TYR A 43 1.527 7.298 0.689 1.00 42.40 N ATOM 509 CA TYR A 43 0.747 8.207 1.522 1.00 21.20 C ATOM 510 C TYR A 43 0.980 7.923 3.002 1.00 53.10 C ATOM 511 O TYR A 43 0.923 8.828 3.834 1.00 33.30 O ATOM 512 CB TYR A 43 -0.742 8.082 1.194 1.00 31.10 C ATOM 513 CG TYR A 43 -1.095 8.537 -0.203 1.00 53.20 C ATOM 514 CD1 TYR A 43 -0.877 9.850 -0.603 1.00 22.00 C ATOM 515 CD2 TYR A 43 -1.647 7.655 -1.123 1.00 22.00 C ATOM 516 CE1 TYR A 43 -1.199 10.270 -1.879 1.00 40.10 C ATOM 517 CE2 TYR A 43 -1.971 8.067 -2.402 1.00 32.50 C ATOM 518 CZ TYR A 43 -1.746 9.376 -2.775 1.00 3.13 C ATOM 519 OH TYR A 43 -2.067 9.790 -4.047 1.00 33.20 O ATOM 0 H TYR A 43 0.982 6.556 0.250 1.00 42.40 H new ATOM 0 HA TYR A 43 1.074 9.225 1.310 1.00 21.20 H new ATOM 0 HB2 TYR A 43 -1.046 7.042 1.316 1.00 31.10 H new ATOM 0 HB3 TYR A 43 -1.314 8.668 1.913 1.00 31.10 H new ATOM 0 HD1 TYR A 43 -0.449 10.554 0.095 1.00 22.00 H new ATOM 0 HD2 TYR A 43 -1.826 6.630 -0.834 1.00 22.00 H new ATOM 0 HE1 TYR A 43 -1.023 11.294 -2.174 1.00 40.10 H new ATOM 0 HE2 TYR A 43 -2.398 7.368 -3.106 1.00 32.50 H new ATOM 0 HH TYR A 43 -2.441 9.038 -4.551 1.00 33.20 H new ATOM 529 N PHE A 44 1.242 6.660 3.324 1.00 54.40 N ATOM 530 CA PHE A 44 1.484 6.258 4.705 1.00 34.30 C ATOM 531 C PHE A 44 2.896 6.632 5.141 1.00 1.41 C ATOM 532 O PHE A 44 3.090 7.247 6.190 1.00 0.50 O ATOM 533 CB PHE A 44 1.270 4.751 4.863 1.00 10.10 C ATOM 534 CG PHE A 44 -0.176 4.356 4.959 1.00 12.00 C ATOM 535 CD1 PHE A 44 -1.040 5.040 5.799 1.00 64.30 C ATOM 536 CD2 PHE A 44 -0.671 3.302 4.209 1.00 32.10 C ATOM 537 CE1 PHE A 44 -2.371 4.679 5.889 1.00 21.40 C ATOM 538 CE2 PHE A 44 -2.001 2.936 4.295 1.00 63.10 C ATOM 539 CZ PHE A 44 -2.852 3.626 5.136 1.00 53.00 C ATOM 0 H PHE A 44 1.292 5.898 2.648 1.00 54.40 H new ATOM 0 HA PHE A 44 0.775 6.788 5.342 1.00 34.30 H new ATOM 0 HB2 PHE A 44 1.723 4.237 4.015 1.00 10.10 H new ATOM 0 HB3 PHE A 44 1.791 4.410 5.758 1.00 10.10 H new ATOM 0 HD1 PHE A 44 -0.669 5.864 6.390 1.00 64.30 H new ATOM 0 HD2 PHE A 44 -0.010 2.760 3.549 1.00 32.10 H new ATOM 0 HE1 PHE A 44 -3.034 5.220 6.548 1.00 21.40 H new ATOM 0 HE2 PHE A 44 -2.374 2.112 3.705 1.00 63.10 H new ATOM 0 HZ PHE A 44 -3.892 3.343 5.205 1.00 53.00 H new ATOM 549 N LEU A 45 3.879 6.256 4.330 1.00 42.30 N ATOM 550 CA LEU A 45 5.275 6.552 4.631 1.00 30.30 C ATOM 551 C LEU A 45 5.519 8.058 4.654 1.00 53.40 C ATOM 552 O LEU A 45 6.369 8.548 5.397 1.00 24.50 O ATOM 553 CB LEU A 45 6.192 5.889 3.601 1.00 42.50 C ATOM 554 CG LEU A 45 6.622 4.460 3.940 1.00 33.40 C ATOM 555 CD1 LEU A 45 5.409 3.594 4.244 1.00 4.41 C ATOM 556 CD2 LEU A 45 7.431 3.865 2.797 1.00 44.40 C ATOM 0 H LEU A 45 3.735 5.745 3.459 1.00 42.30 H new ATOM 0 HA LEU A 45 5.501 6.151 5.619 1.00 30.30 H new ATOM 0 HB2 LEU A 45 5.683 5.880 2.637 1.00 42.50 H new ATOM 0 HB3 LEU A 45 7.085 6.503 3.484 1.00 42.50 H new ATOM 0 HG LEU A 45 7.251 4.491 4.830 1.00 33.40 H new ATOM 0 HD11 LEU A 45 5.735 2.582 4.483 1.00 4.41 H new ATOM 0 HD12 LEU A 45 4.868 4.011 5.094 1.00 4.41 H new ATOM 0 HD13 LEU A 45 4.753 3.568 3.374 1.00 4.41 H new ATOM 0 HD21 LEU A 45 7.730 2.848 3.053 1.00 44.40 H new ATOM 0 HD22 LEU A 45 6.824 3.848 1.892 1.00 44.40 H new ATOM 0 HD23 LEU A 45 8.320 4.472 2.626 1.00 44.40 H new ATOM 568 N HIS A 46 4.768 8.786 3.834 1.00 62.50 N ATOM 569 CA HIS A 46 4.903 10.236 3.759 1.00 13.50 C ATOM 570 C HIS A 46 4.440 10.893 5.056 1.00 4.31 C ATOM 571 O HIS A 46 5.137 11.737 5.619 1.00 34.40 O ATOM 572 CB HIS A 46 4.098 10.784 2.580 1.00 12.00 C ATOM 573 CG HIS A 46 4.245 12.262 2.391 1.00 31.10 C ATOM 574 ND1 HIS A 46 5.161 12.823 1.526 1.00 50.40 N ATOM 575 CD2 HIS A 46 3.585 13.299 2.961 1.00 70.10 C ATOM 576 CE1 HIS A 46 5.059 14.140 1.572 1.00 43.40 C ATOM 577 NE2 HIS A 46 4.110 14.453 2.435 1.00 75.30 N ATOM 0 H HIS A 46 4.060 8.396 3.212 1.00 62.50 H new ATOM 0 HA HIS A 46 5.957 10.471 3.610 1.00 13.50 H new ATOM 0 HB2 HIS A 46 4.413 10.276 1.668 1.00 12.00 H new ATOM 0 HB3 HIS A 46 3.044 10.548 2.729 1.00 12.00 H new ATOM 0 HD2 HIS A 46 2.794 13.230 3.693 1.00 70.10 H new ATOM 0 HE1 HIS A 46 5.651 14.840 1.001 1.00 43.40 H new ATOM 0 HE2 HIS A 46 3.815 15.400 2.673 1.00 75.30 H new ATOM 586 N VAL A 47 3.260 10.500 5.524 1.00 1.21 N ATOM 587 CA VAL A 47 2.704 11.050 6.754 1.00 33.40 C ATOM 588 C VAL A 47 3.582 10.709 7.953 1.00 23.10 C ATOM 589 O VAL A 47 3.923 11.580 8.753 1.00 70.30 O ATOM 590 CB VAL A 47 1.278 10.527 7.010 1.00 64.40 C ATOM 591 CG1 VAL A 47 0.657 11.228 8.209 1.00 24.30 C ATOM 592 CG2 VAL A 47 0.411 10.705 5.773 1.00 33.30 C ATOM 0 H VAL A 47 2.670 9.803 5.070 1.00 1.21 H new ATOM 0 HA VAL A 47 2.668 12.132 6.629 1.00 33.40 H new ATOM 0 HB VAL A 47 1.339 9.462 7.232 1.00 64.40 H new ATOM 0 HG11 VAL A 47 -0.350 10.845 8.373 1.00 24.30 H new ATOM 0 HG12 VAL A 47 1.265 11.042 9.094 1.00 24.30 H new ATOM 0 HG13 VAL A 47 0.610 12.300 8.020 1.00 24.30 H new ATOM 0 HG21 VAL A 47 -0.592 10.329 5.975 1.00 33.30 H new ATOM 0 HG22 VAL A 47 0.357 11.763 5.515 1.00 33.30 H new ATOM 0 HG23 VAL A 47 0.846 10.151 4.941 1.00 33.30 H new ATOM 602 N VAL A 48 3.946 9.436 8.071 1.00 14.30 N ATOM 603 CA VAL A 48 4.785 8.980 9.173 1.00 33.40 C ATOM 604 C VAL A 48 6.161 9.637 9.122 1.00 44.30 C ATOM 605 O VAL A 48 6.749 9.948 10.157 1.00 30.10 O ATOM 606 CB VAL A 48 4.957 7.449 9.152 1.00 23.10 C ATOM 607 CG1 VAL A 48 5.701 6.977 10.393 1.00 0.40 C ATOM 608 CG2 VAL A 48 3.606 6.759 9.038 1.00 5.22 C ATOM 0 H VAL A 48 3.673 8.702 7.417 1.00 14.30 H new ATOM 0 HA VAL A 48 4.281 9.268 10.096 1.00 33.40 H new ATOM 0 HB VAL A 48 5.550 7.182 8.277 1.00 23.10 H new ATOM 0 HG11 VAL A 48 5.813 5.893 10.360 1.00 0.40 H new ATOM 0 HG12 VAL A 48 6.686 7.443 10.426 1.00 0.40 H new ATOM 0 HG13 VAL A 48 5.138 7.257 11.283 1.00 0.40 H new ATOM 0 HG21 VAL A 48 3.749 5.679 9.025 1.00 5.22 H new ATOM 0 HG22 VAL A 48 2.985 7.032 9.891 1.00 5.22 H new ATOM 0 HG23 VAL A 48 3.115 7.071 8.116 1.00 5.22 H new ATOM 618 N LYS A 49 6.667 9.844 7.911 1.00 34.20 N ATOM 619 CA LYS A 49 7.974 10.464 7.725 1.00 41.10 C ATOM 620 C LYS A 49 7.909 11.963 7.995 1.00 11.30 C ATOM 621 O LYS A 49 8.820 12.537 8.592 1.00 72.00 O ATOM 622 CB LYS A 49 8.485 10.211 6.306 1.00 53.20 C ATOM 623 CG LYS A 49 9.865 10.790 6.043 1.00 73.20 C ATOM 624 CD LYS A 49 10.000 11.281 4.611 1.00 52.20 C ATOM 625 CE LYS A 49 11.110 12.311 4.478 1.00 32.30 C ATOM 626 NZ LYS A 49 12.456 11.676 4.443 1.00 64.30 N ATOM 0 H LYS A 49 6.192 9.592 7.044 1.00 34.20 H new ATOM 0 HA LYS A 49 8.666 10.015 8.438 1.00 41.10 H new ATOM 0 HB2 LYS A 49 8.511 9.137 6.124 1.00 53.20 H new ATOM 0 HB3 LYS A 49 7.779 10.638 5.593 1.00 53.20 H new ATOM 0 HG2 LYS A 49 10.052 11.615 6.731 1.00 73.20 H new ATOM 0 HG3 LYS A 49 10.623 10.032 6.242 1.00 73.20 H new ATOM 0 HD2 LYS A 49 10.205 10.436 3.953 1.00 52.20 H new ATOM 0 HD3 LYS A 49 9.056 11.717 4.284 1.00 52.20 H new ATOM 0 HE2 LYS A 49 10.959 12.892 3.568 1.00 32.30 H new ATOM 0 HE3 LYS A 49 11.060 13.009 5.314 1.00 32.30 H new ATOM 0 HZ1 LYS A 49 13.185 12.412 4.352 1.00 64.30 H new ATOM 0 HZ2 LYS A 49 12.611 11.142 5.322 1.00 64.30 H new ATOM 0 HZ3 LYS A 49 12.514 11.029 3.631 1.00 64.30 H new ATOM 640 N TYR A 50 6.826 12.593 7.551 1.00 3.43 N ATOM 641 CA TYR A 50 6.641 14.026 7.745 1.00 43.30 C ATOM 642 C TYR A 50 6.202 14.330 9.173 1.00 52.20 C ATOM 643 O TYR A 50 6.982 14.838 9.979 1.00 43.20 O ATOM 644 CB TYR A 50 5.608 14.567 6.755 1.00 60.20 C ATOM 645 CG TYR A 50 6.193 14.943 5.412 1.00 24.10 C ATOM 646 CD1 TYR A 50 6.880 14.008 4.646 1.00 33.10 C ATOM 647 CD2 TYR A 50 6.060 16.231 4.911 1.00 32.20 C ATOM 648 CE1 TYR A 50 7.416 14.348 3.419 1.00 25.10 C ATOM 649 CE2 TYR A 50 6.593 16.578 3.684 1.00 42.40 C ATOM 650 CZ TYR A 50 7.270 15.634 2.942 1.00 3.42 C ATOM 651 OH TYR A 50 7.803 15.975 1.721 1.00 73.00 O ATOM 0 H TYR A 50 6.063 12.133 7.054 1.00 3.43 H new ATOM 0 HA TYR A 50 7.597 14.518 7.566 1.00 43.30 H new ATOM 0 HB2 TYR A 50 4.832 13.816 6.606 1.00 60.20 H new ATOM 0 HB3 TYR A 50 5.125 15.442 7.189 1.00 60.20 H new ATOM 0 HD1 TYR A 50 6.996 13.000 5.016 1.00 33.10 H new ATOM 0 HD2 TYR A 50 5.531 16.974 5.490 1.00 32.20 H new ATOM 0 HE1 TYR A 50 7.947 13.610 2.836 1.00 25.10 H new ATOM 0 HE2 TYR A 50 6.480 17.584 3.308 1.00 42.40 H new ATOM 0 HH TYR A 50 7.611 16.917 1.532 1.00 73.00 H new ATOM 661 N GLU A 51 4.947 14.017 9.480 1.00 51.40 N ATOM 662 CA GLU A 51 4.404 14.257 10.812 1.00 24.40 C ATOM 663 C GLU A 51 3.146 13.426 11.044 1.00 31.20 C ATOM 664 O GLU A 51 2.044 13.835 10.681 1.00 41.20 O ATOM 665 CB GLU A 51 4.089 15.742 10.997 1.00 1.31 C ATOM 666 CG GLU A 51 3.354 16.360 9.819 1.00 61.40 C ATOM 667 CD GLU A 51 2.418 17.478 10.236 1.00 25.30 C ATOM 668 OE1 GLU A 51 1.605 17.258 11.158 1.00 73.30 O ATOM 669 OE2 GLU A 51 2.500 18.573 9.642 1.00 21.00 O ATOM 0 H GLU A 51 4.288 13.597 8.825 1.00 51.40 H new ATOM 0 HA GLU A 51 5.155 13.958 11.543 1.00 24.40 H new ATOM 0 HB2 GLU A 51 3.487 15.868 11.897 1.00 1.31 H new ATOM 0 HB3 GLU A 51 5.020 16.285 11.159 1.00 1.31 H new ATOM 0 HG2 GLU A 51 4.081 16.747 9.105 1.00 61.40 H new ATOM 0 HG3 GLU A 51 2.783 15.586 9.305 1.00 61.40 H new ATOM 676 N ALA A 52 3.320 12.256 11.652 1.00 33.50 N ATOM 677 CA ALA A 52 2.199 11.368 11.933 1.00 74.20 C ATOM 678 C ALA A 52 1.252 11.985 12.955 1.00 72.10 C ATOM 679 O ALA A 52 1.438 13.126 13.380 1.00 31.50 O ATOM 680 CB ALA A 52 2.706 10.021 12.426 1.00 73.10 C ATOM 0 H ALA A 52 4.226 11.902 11.959 1.00 33.50 H new ATOM 0 HA ALA A 52 1.644 11.219 11.007 1.00 74.20 H new ATOM 0 HB1 ALA A 52 1.859 9.367 12.632 1.00 73.10 H new ATOM 0 HB2 ALA A 52 3.337 9.568 11.661 1.00 73.10 H new ATOM 0 HB3 ALA A 52 3.286 10.162 13.338 1.00 73.10 H new ATOM 686 N GLN A 53 0.235 11.225 13.347 1.00 35.10 N ATOM 687 CA GLN A 53 -0.743 11.698 14.320 1.00 13.10 C ATOM 688 C GLN A 53 -0.225 11.517 15.744 1.00 55.00 C ATOM 689 O GLN A 53 -0.433 12.373 16.604 1.00 13.00 O ATOM 690 CB GLN A 53 -2.067 10.951 14.149 1.00 43.40 C ATOM 691 CG GLN A 53 -2.582 10.947 12.719 1.00 34.30 C ATOM 692 CD GLN A 53 -3.180 9.612 12.319 1.00 52.20 C ATOM 693 OE1 GLN A 53 -4.252 9.233 12.790 1.00 64.50 O ATOM 694 NE2 GLN A 53 -2.487 8.891 11.445 1.00 0.15 N ATOM 0 H GLN A 53 0.066 10.279 13.006 1.00 35.10 H new ATOM 0 HA GLN A 53 -0.908 12.761 14.144 1.00 13.10 H new ATOM 0 HB2 GLN A 53 -1.940 9.921 14.484 1.00 43.40 H new ATOM 0 HB3 GLN A 53 -2.817 11.406 14.796 1.00 43.40 H new ATOM 0 HG2 GLN A 53 -3.335 11.727 12.606 1.00 34.30 H new ATOM 0 HG3 GLN A 53 -1.764 11.192 12.041 1.00 34.30 H new ATOM 0 HE21 GLN A 53 -1.602 9.244 11.080 1.00 0.15 H new ATOM 0 HE22 GLN A 53 -2.839 7.984 11.139 1.00 0.15 H new ATOM 703 N GLY A 54 0.451 10.399 15.985 1.00 1.44 N ATOM 704 CA GLY A 54 0.988 10.126 17.305 1.00 52.00 C ATOM 705 C GLY A 54 1.907 8.921 17.320 1.00 62.40 C ATOM 706 O GLY A 54 2.104 8.269 16.295 1.00 4.24 O ATOM 0 H GLY A 54 0.637 9.677 15.289 1.00 1.44 H new ATOM 0 HA2 GLY A 54 1.534 11.000 17.659 1.00 52.00 H new ATOM 0 HA3 GLY A 54 0.166 9.960 18.001 1.00 52.00 H new ATOM 710 N ASP A 55 2.473 8.625 18.486 1.00 12.00 N ATOM 711 CA ASP A 55 3.377 7.491 18.630 1.00 22.20 C ATOM 712 C ASP A 55 2.673 6.185 18.278 1.00 3.44 C ATOM 713 O ASP A 55 3.131 5.433 17.417 1.00 24.40 O ATOM 714 CB ASP A 55 3.918 7.422 20.060 1.00 14.10 C ATOM 715 CG ASP A 55 5.210 8.197 20.227 1.00 41.50 C ATOM 716 OD1 ASP A 55 6.008 8.236 19.266 1.00 4.21 O ATOM 717 OD2 ASP A 55 5.424 8.766 21.318 1.00 25.30 O ATOM 0 H ASP A 55 2.321 9.155 19.344 1.00 12.00 H new ATOM 0 HA ASP A 55 4.209 7.632 17.940 1.00 22.20 H new ATOM 0 HB2 ASP A 55 3.170 7.816 20.748 1.00 14.10 H new ATOM 0 HB3 ASP A 55 4.085 6.380 20.333 1.00 14.10 H new ATOM 722 N LYS A 56 1.556 5.921 18.949 1.00 74.10 N ATOM 723 CA LYS A 56 0.788 4.705 18.706 1.00 0.43 C ATOM 724 C LYS A 56 0.310 4.644 17.259 1.00 34.30 C ATOM 725 O LYS A 56 0.201 3.566 16.676 1.00 54.10 O ATOM 726 CB LYS A 56 -0.410 4.636 19.655 1.00 22.10 C ATOM 727 CG LYS A 56 -0.772 3.221 20.075 1.00 34.00 C ATOM 728 CD LYS A 56 -1.369 3.190 21.472 1.00 50.20 C ATOM 729 CE LYS A 56 -2.500 2.179 21.573 1.00 1.42 C ATOM 730 NZ LYS A 56 -3.835 2.822 21.434 1.00 30.40 N ATOM 0 H LYS A 56 1.163 6.532 19.665 1.00 74.10 H new ATOM 0 HA LYS A 56 1.439 3.850 18.891 1.00 0.43 H new ATOM 0 HB2 LYS A 56 -0.192 5.226 20.545 1.00 22.10 H new ATOM 0 HB3 LYS A 56 -1.273 5.095 19.172 1.00 22.10 H new ATOM 0 HG2 LYS A 56 -1.484 2.800 19.365 1.00 34.00 H new ATOM 0 HG3 LYS A 56 0.118 2.592 20.045 1.00 34.00 H new ATOM 0 HD2 LYS A 56 -0.592 2.942 22.195 1.00 50.20 H new ATOM 0 HD3 LYS A 56 -1.741 4.181 21.732 1.00 50.20 H new ATOM 0 HE2 LYS A 56 -2.380 1.422 20.798 1.00 1.42 H new ATOM 0 HE3 LYS A 56 -2.443 1.665 22.533 1.00 1.42 H new ATOM 0 HZ1 LYS A 56 -4.578 2.098 21.509 1.00 30.40 H new ATOM 0 HZ2 LYS A 56 -3.961 3.527 22.188 1.00 30.40 H new ATOM 0 HZ3 LYS A 56 -3.900 3.291 20.508 1.00 30.40 H new ATOM 744 N ALA A 57 0.025 5.809 16.685 1.00 60.10 N ATOM 745 CA ALA A 57 -0.442 5.888 15.307 1.00 53.00 C ATOM 746 C ALA A 57 0.636 5.418 14.335 1.00 24.40 C ATOM 747 O ALA A 57 0.345 4.737 13.352 1.00 0.20 O ATOM 748 CB ALA A 57 -0.871 7.309 14.976 1.00 61.10 C ATOM 0 H ALA A 57 0.110 6.711 17.154 1.00 60.10 H new ATOM 0 HA ALA A 57 -1.302 5.227 15.202 1.00 53.00 H new ATOM 0 HB1 ALA A 57 -1.218 7.353 13.943 1.00 61.10 H new ATOM 0 HB2 ALA A 57 -1.679 7.610 15.643 1.00 61.10 H new ATOM 0 HB3 ALA A 57 -0.025 7.984 15.104 1.00 61.10 H new ATOM 754 N LYS A 58 1.881 5.788 14.617 1.00 31.30 N ATOM 755 CA LYS A 58 3.002 5.404 13.767 1.00 24.30 C ATOM 756 C LYS A 58 3.150 3.887 13.713 1.00 51.00 C ATOM 757 O LYS A 58 3.318 3.308 12.640 1.00 52.10 O ATOM 758 CB LYS A 58 4.298 6.036 14.280 1.00 52.50 C ATOM 759 CG LYS A 58 4.310 7.553 14.193 1.00 4.53 C ATOM 760 CD LYS A 58 5.329 8.158 15.146 1.00 32.20 C ATOM 761 CE LYS A 58 5.382 9.671 15.017 1.00 74.40 C ATOM 762 NZ LYS A 58 6.543 10.250 15.748 1.00 32.30 N ATOM 0 H LYS A 58 2.139 6.353 15.426 1.00 31.30 H new ATOM 0 HA LYS A 58 2.802 5.768 12.759 1.00 24.30 H new ATOM 0 HB2 LYS A 58 4.452 5.739 15.317 1.00 52.50 H new ATOM 0 HB3 LYS A 58 5.137 5.641 13.707 1.00 52.50 H new ATOM 0 HG2 LYS A 58 4.539 7.858 13.172 1.00 4.53 H new ATOM 0 HG3 LYS A 58 3.318 7.940 14.426 1.00 4.53 H new ATOM 0 HD2 LYS A 58 5.075 7.888 16.171 1.00 32.20 H new ATOM 0 HD3 LYS A 58 6.314 7.739 14.941 1.00 32.20 H new ATOM 0 HE2 LYS A 58 5.444 9.944 13.963 1.00 74.40 H new ATOM 0 HE3 LYS A 58 4.458 10.101 15.404 1.00 74.40 H new ATOM 0 HZ1 LYS A 58 6.544 11.284 15.635 1.00 32.30 H new ATOM 0 HZ2 LYS A 58 6.471 10.012 16.758 1.00 32.30 H new ATOM 0 HZ3 LYS A 58 7.426 9.859 15.362 1.00 32.30 H new ATOM 776 N GLN A 59 3.086 3.250 14.878 1.00 22.10 N ATOM 777 CA GLN A 59 3.212 1.799 14.963 1.00 62.30 C ATOM 778 C GLN A 59 2.115 1.110 14.157 1.00 10.20 C ATOM 779 O GLN A 59 2.327 0.036 13.593 1.00 32.20 O ATOM 780 CB GLN A 59 3.150 1.346 16.423 1.00 71.10 C ATOM 781 CG GLN A 59 4.475 1.477 17.157 1.00 25.20 C ATOM 782 CD GLN A 59 5.421 0.330 16.860 1.00 52.20 C ATOM 783 OE1 GLN A 59 5.885 0.169 15.731 1.00 13.20 O ATOM 784 NE2 GLN A 59 5.712 -0.475 17.875 1.00 45.00 N ATOM 0 H GLN A 59 2.948 3.715 15.775 1.00 22.10 H new ATOM 0 HA GLN A 59 4.178 1.517 14.543 1.00 62.30 H new ATOM 0 HB2 GLN A 59 2.395 1.934 16.945 1.00 71.10 H new ATOM 0 HB3 GLN A 59 2.826 0.306 16.459 1.00 71.10 H new ATOM 0 HG2 GLN A 59 4.950 2.417 16.877 1.00 25.20 H new ATOM 0 HG3 GLN A 59 4.289 1.521 18.230 1.00 25.20 H new ATOM 0 HE21 GLN A 59 5.305 -0.304 18.794 1.00 45.00 H new ATOM 0 HE22 GLN A 59 6.343 -1.264 17.735 1.00 45.00 H new ATOM 793 N SER A 60 0.943 1.735 14.108 1.00 40.30 N ATOM 794 CA SER A 60 -0.187 1.182 13.370 1.00 0.43 C ATOM 795 C SER A 60 0.050 1.271 11.866 1.00 12.00 C ATOM 796 O SER A 60 -0.213 0.320 11.129 1.00 50.30 O ATOM 797 CB SER A 60 -1.475 1.920 13.741 1.00 64.00 C ATOM 798 OG SER A 60 -2.585 1.039 13.741 1.00 1.31 O ATOM 0 H SER A 60 0.751 2.624 14.570 1.00 40.30 H new ATOM 0 HA SER A 60 -0.288 0.131 13.642 1.00 0.43 H new ATOM 0 HB2 SER A 60 -1.367 2.374 14.726 1.00 64.00 H new ATOM 0 HB3 SER A 60 -1.650 2.731 13.034 1.00 64.00 H new ATOM 0 HG SER A 60 -3.396 1.534 13.983 1.00 1.31 H new ATOM 804 N ILE A 61 0.548 2.418 11.418 1.00 54.30 N ATOM 805 CA ILE A 61 0.822 2.631 10.002 1.00 53.50 C ATOM 806 C ILE A 61 2.029 1.816 9.549 1.00 23.40 C ATOM 807 O ILE A 61 2.081 1.345 8.413 1.00 63.30 O ATOM 808 CB ILE A 61 1.075 4.120 9.696 1.00 35.40 C ATOM 809 CG1 ILE A 61 -0.051 4.981 10.271 1.00 61.30 C ATOM 810 CG2 ILE A 61 1.203 4.339 8.195 1.00 35.10 C ATOM 811 CD1 ILE A 61 0.341 6.427 10.481 1.00 11.40 C ATOM 0 H ILE A 61 0.770 3.215 12.015 1.00 54.30 H new ATOM 0 HA ILE A 61 -0.061 2.302 9.455 1.00 53.50 H new ATOM 0 HB ILE A 61 2.011 4.418 10.168 1.00 35.40 H new ATOM 0 HG12 ILE A 61 -0.908 4.939 9.599 1.00 61.30 H new ATOM 0 HG13 ILE A 61 -0.371 4.558 11.223 1.00 61.30 H new ATOM 0 HG21 ILE A 61 1.381 5.396 7.995 1.00 35.10 H new ATOM 0 HG22 ILE A 61 2.037 3.751 7.811 1.00 35.10 H new ATOM 0 HG23 ILE A 61 0.282 4.027 7.702 1.00 35.10 H new ATOM 0 HD11 ILE A 61 -0.506 6.978 10.891 1.00 11.40 H new ATOM 0 HD12 ILE A 61 1.179 6.480 11.176 1.00 11.40 H new ATOM 0 HD13 ILE A 61 0.633 6.867 9.527 1.00 11.40 H new ATOM 823 N ARG A 62 2.997 1.654 10.446 1.00 51.00 N ATOM 824 CA ARG A 62 4.203 0.895 10.138 1.00 32.10 C ATOM 825 C ARG A 62 3.861 -0.545 9.773 1.00 52.40 C ATOM 826 O ARG A 62 4.386 -1.093 8.803 1.00 62.30 O ATOM 827 CB ARG A 62 5.162 0.917 11.330 1.00 22.10 C ATOM 828 CG ARG A 62 5.936 2.219 11.464 1.00 41.30 C ATOM 829 CD ARG A 62 7.404 2.037 11.110 1.00 63.20 C ATOM 830 NE ARG A 62 7.934 3.180 10.370 1.00 73.10 N ATOM 831 CZ ARG A 62 8.298 4.327 10.939 1.00 51.10 C ATOM 832 NH1 ARG A 62 8.190 4.489 12.252 1.00 35.40 N ATOM 833 NH2 ARG A 62 8.771 5.316 10.193 1.00 3.25 N ATOM 0 H ARG A 62 2.969 2.038 11.391 1.00 51.00 H new ATOM 0 HA ARG A 62 4.688 1.363 9.281 1.00 32.10 H new ATOM 0 HB2 ARG A 62 4.595 0.745 12.245 1.00 22.10 H new ATOM 0 HB3 ARG A 62 5.868 0.092 11.233 1.00 22.10 H new ATOM 0 HG2 ARG A 62 5.495 2.974 10.813 1.00 41.30 H new ATOM 0 HG3 ARG A 62 5.851 2.590 12.485 1.00 41.30 H new ATOM 0 HD2 ARG A 62 7.982 1.896 12.023 1.00 63.20 H new ATOM 0 HD3 ARG A 62 7.524 1.132 10.514 1.00 63.20 H new ATOM 0 HE ARG A 62 8.031 3.094 9.358 1.00 73.10 H new ATOM 0 HH11 ARG A 62 7.826 3.732 12.831 1.00 35.40 H new ATOM 0 HH12 ARG A 62 8.471 5.370 12.682 1.00 35.40 H new ATOM 0 HH21 ARG A 62 8.856 5.198 9.183 1.00 3.25 H new ATOM 0 HH22 ARG A 62 9.050 6.195 10.629 1.00 3.25 H new ATOM 847 N ALA A 63 2.976 -1.154 10.555 1.00 33.00 N ATOM 848 CA ALA A 63 2.563 -2.531 10.314 1.00 25.10 C ATOM 849 C ALA A 63 1.660 -2.628 9.088 1.00 71.00 C ATOM 850 O ALA A 63 1.615 -3.660 8.419 1.00 45.40 O ATOM 851 CB ALA A 63 1.855 -3.091 11.538 1.00 20.10 C ATOM 0 H ALA A 63 2.531 -0.715 11.361 1.00 33.00 H new ATOM 0 HA ALA A 63 3.457 -3.124 10.122 1.00 25.10 H new ATOM 0 HB1 ALA A 63 1.552 -4.120 11.344 1.00 20.10 H new ATOM 0 HB2 ALA A 63 2.531 -3.067 12.392 1.00 20.10 H new ATOM 0 HB3 ALA A 63 0.973 -2.488 11.756 1.00 20.10 H new ATOM 857 N LYS A 64 0.942 -1.547 8.800 1.00 74.30 N ATOM 858 CA LYS A 64 0.040 -1.512 7.655 1.00 13.50 C ATOM 859 C LYS A 64 0.809 -1.279 6.358 1.00 0.31 C ATOM 860 O LYS A 64 0.583 -1.962 5.360 1.00 25.40 O ATOM 861 CB LYS A 64 -1.011 -0.416 7.841 1.00 43.50 C ATOM 862 CG LYS A 64 -1.930 -0.653 9.028 1.00 1.51 C ATOM 863 CD LYS A 64 -2.475 0.654 9.581 1.00 22.00 C ATOM 864 CE LYS A 64 -3.898 0.908 9.110 1.00 23.30 C ATOM 865 NZ LYS A 64 -4.893 0.142 9.911 1.00 12.20 N ATOM 0 H LYS A 64 0.967 -0.684 9.344 1.00 74.30 H new ATOM 0 HA LYS A 64 -0.459 -2.479 7.590 1.00 13.50 H new ATOM 0 HB2 LYS A 64 -0.507 0.542 7.967 1.00 43.50 H new ATOM 0 HB3 LYS A 64 -1.612 -0.343 6.935 1.00 43.50 H new ATOM 0 HG2 LYS A 64 -2.758 -1.295 8.726 1.00 1.51 H new ATOM 0 HG3 LYS A 64 -1.386 -1.182 9.811 1.00 1.51 H new ATOM 0 HD2 LYS A 64 -2.450 0.628 10.670 1.00 22.00 H new ATOM 0 HD3 LYS A 64 -1.834 1.478 9.268 1.00 22.00 H new ATOM 0 HE2 LYS A 64 -4.119 1.973 9.179 1.00 23.30 H new ATOM 0 HE3 LYS A 64 -3.988 0.632 8.059 1.00 23.30 H new ATOM 0 HZ1 LYS A 64 -5.851 0.343 9.559 1.00 12.20 H new ATOM 0 HZ2 LYS A 64 -4.698 -0.876 9.825 1.00 12.20 H new ATOM 0 HZ3 LYS A 64 -4.826 0.424 10.910 1.00 12.20 H new ATOM 879 N CYS A 65 1.718 -0.310 6.380 1.00 31.40 N ATOM 880 CA CYS A 65 2.519 0.012 5.204 1.00 73.50 C ATOM 881 C CYS A 65 3.348 -1.190 4.763 1.00 52.10 C ATOM 882 O CYS A 65 3.596 -1.383 3.573 1.00 22.10 O ATOM 883 CB CYS A 65 3.433 1.206 5.491 1.00 43.40 C ATOM 884 SG CYS A 65 4.759 0.862 6.672 1.00 14.20 S ATOM 0 H CYS A 65 1.918 0.265 7.198 1.00 31.40 H new ATOM 0 HA CYS A 65 1.839 0.275 4.394 1.00 73.50 H new ATOM 0 HB2 CYS A 65 3.876 1.543 4.554 1.00 43.40 H new ATOM 0 HB3 CYS A 65 2.828 2.029 5.872 1.00 43.40 H new ATOM 0 HG CYS A 65 4.474 -0.215 7.343 1.00 14.20 H new ATOM 890 N THR A 66 3.775 -1.996 5.730 1.00 63.10 N ATOM 891 CA THR A 66 4.577 -3.179 5.440 1.00 64.30 C ATOM 892 C THR A 66 3.698 -4.326 4.954 1.00 14.00 C ATOM 893 O THR A 66 4.127 -5.152 4.149 1.00 21.40 O ATOM 894 CB THR A 66 5.359 -3.609 6.683 1.00 41.20 C ATOM 895 OG1 THR A 66 6.230 -4.684 6.379 1.00 74.30 O ATOM 896 CG2 THR A 66 4.471 -4.048 7.827 1.00 44.30 C ATOM 0 H THR A 66 3.579 -1.851 6.721 1.00 63.10 H new ATOM 0 HA THR A 66 5.281 -2.925 4.648 1.00 64.30 H new ATOM 0 HB THR A 66 5.915 -2.725 6.995 1.00 41.20 H new ATOM 0 HG1 THR A 66 6.722 -4.944 7.185 1.00 74.30 H new ATOM 0 HG21 THR A 66 5.089 -4.340 8.676 1.00 44.30 H new ATOM 0 HG22 THR A 66 3.819 -3.224 8.118 1.00 44.30 H new ATOM 0 HG23 THR A 66 3.864 -4.897 7.512 1.00 44.30 H new ATOM 904 N GLU A 67 2.465 -4.371 5.448 1.00 11.40 N ATOM 905 CA GLU A 67 1.525 -5.417 5.064 1.00 25.30 C ATOM 906 C GLU A 67 1.218 -5.351 3.571 1.00 53.30 C ATOM 907 O GLU A 67 1.263 -6.364 2.873 1.00 72.10 O ATOM 908 CB GLU A 67 0.230 -5.289 5.868 1.00 0.40 C ATOM 909 CG GLU A 67 -0.792 -6.369 5.552 1.00 50.20 C ATOM 910 CD GLU A 67 -1.641 -6.737 6.753 1.00 23.20 C ATOM 911 OE1 GLU A 67 -2.142 -5.815 7.431 1.00 42.00 O ATOM 912 OE2 GLU A 67 -1.806 -7.947 7.015 1.00 2.05 O ATOM 0 H GLU A 67 2.094 -3.695 6.115 1.00 11.40 H new ATOM 0 HA GLU A 67 1.985 -6.381 5.280 1.00 25.30 H new ATOM 0 HB2 GLU A 67 0.467 -5.325 6.931 1.00 0.40 H new ATOM 0 HB3 GLU A 67 -0.214 -4.313 5.673 1.00 0.40 H new ATOM 0 HG2 GLU A 67 -1.440 -6.026 4.745 1.00 50.20 H new ATOM 0 HG3 GLU A 67 -0.276 -7.258 5.190 1.00 50.20 H new ATOM 919 N TYR A 68 0.906 -4.153 3.088 1.00 43.20 N ATOM 920 CA TYR A 68 0.592 -3.955 1.678 1.00 2.20 C ATOM 921 C TYR A 68 1.845 -4.085 0.818 1.00 44.10 C ATOM 922 O TYR A 68 1.784 -4.554 -0.318 1.00 14.40 O ATOM 923 CB TYR A 68 -0.047 -2.582 1.464 1.00 23.50 C ATOM 924 CG TYR A 68 -1.230 -2.317 2.368 1.00 64.00 C ATOM 925 CD1 TYR A 68 -2.292 -3.210 2.434 1.00 2.31 C ATOM 926 CD2 TYR A 68 -1.285 -1.174 3.156 1.00 2.53 C ATOM 927 CE1 TYR A 68 -3.375 -2.971 3.259 1.00 41.20 C ATOM 928 CE2 TYR A 68 -2.364 -0.928 3.983 1.00 63.30 C ATOM 929 CZ TYR A 68 -3.406 -1.829 4.031 1.00 31.00 C ATOM 930 OH TYR A 68 -4.483 -1.588 4.853 1.00 55.10 O ATOM 0 H TYR A 68 0.864 -3.304 3.652 1.00 43.20 H new ATOM 0 HA TYR A 68 -0.115 -4.728 1.377 1.00 2.20 H new ATOM 0 HB2 TYR A 68 0.705 -1.811 1.629 1.00 23.50 H new ATOM 0 HB3 TYR A 68 -0.368 -2.498 0.426 1.00 23.50 H new ATOM 0 HD1 TYR A 68 -2.271 -4.106 1.831 1.00 2.31 H new ATOM 0 HD2 TYR A 68 -0.470 -0.466 3.121 1.00 2.53 H new ATOM 0 HE1 TYR A 68 -4.193 -3.675 3.299 1.00 41.20 H new ATOM 0 HE2 TYR A 68 -2.391 -0.034 4.589 1.00 63.30 H new ATOM 0 HH TYR A 68 -4.348 -0.742 5.329 1.00 55.10 H new ATOM 940 N LEU A 69 2.980 -3.667 1.368 1.00 53.40 N ATOM 941 CA LEU A 69 4.248 -3.737 0.651 1.00 45.10 C ATOM 942 C LEU A 69 4.586 -5.178 0.283 1.00 4.44 C ATOM 943 O LEU A 69 5.003 -5.460 -0.840 1.00 54.50 O ATOM 944 CB LEU A 69 5.371 -3.138 1.500 1.00 23.00 C ATOM 945 CG LEU A 69 5.556 -1.626 1.355 1.00 34.10 C ATOM 946 CD1 LEU A 69 6.614 -1.123 2.325 1.00 53.20 C ATOM 947 CD2 LEU A 69 5.931 -1.272 -0.076 1.00 42.30 C ATOM 0 H LEU A 69 3.048 -3.276 2.308 1.00 53.40 H new ATOM 0 HA LEU A 69 4.150 -3.160 -0.269 1.00 45.10 H new ATOM 0 HB2 LEU A 69 5.175 -3.366 2.548 1.00 23.00 H new ATOM 0 HB3 LEU A 69 6.307 -3.630 1.237 1.00 23.00 H new ATOM 0 HG LEU A 69 4.611 -1.138 1.595 1.00 34.10 H new ATOM 0 HD11 LEU A 69 6.732 -0.046 2.208 1.00 53.20 H new ATOM 0 HD12 LEU A 69 6.306 -1.345 3.347 1.00 53.20 H new ATOM 0 HD13 LEU A 69 7.563 -1.617 2.117 1.00 53.20 H new ATOM 0 HD21 LEU A 69 6.059 -0.193 -0.162 1.00 42.30 H new ATOM 0 HD22 LEU A 69 6.863 -1.770 -0.342 1.00 42.30 H new ATOM 0 HD23 LEU A 69 5.140 -1.599 -0.751 1.00 42.30 H new ATOM 959 N ASP A 70 4.404 -6.085 1.237 1.00 21.20 N ATOM 960 CA ASP A 70 4.690 -7.497 1.013 1.00 4.11 C ATOM 961 C ASP A 70 3.752 -8.083 -0.037 1.00 72.40 C ATOM 962 O ASP A 70 4.182 -8.812 -0.931 1.00 33.10 O ATOM 963 CB ASP A 70 4.561 -8.279 2.321 1.00 25.10 C ATOM 964 CG ASP A 70 5.481 -9.483 2.369 1.00 52.20 C ATOM 965 OD1 ASP A 70 6.679 -9.328 2.051 1.00 34.20 O ATOM 966 OD2 ASP A 70 5.004 -10.580 2.724 1.00 31.00 O ATOM 0 H ASP A 70 4.060 -5.867 2.172 1.00 21.20 H new ATOM 0 HA ASP A 70 5.713 -7.580 0.647 1.00 4.11 H new ATOM 0 HB2 ASP A 70 4.787 -7.619 3.159 1.00 25.10 H new ATOM 0 HB3 ASP A 70 3.529 -8.609 2.444 1.00 25.10 H new ATOM 971 N ARG A 71 2.468 -7.757 0.076 1.00 25.10 N ATOM 972 CA ARG A 71 1.469 -8.251 -0.864 1.00 30.30 C ATOM 973 C ARG A 71 1.694 -7.665 -2.254 1.00 34.00 C ATOM 974 O ARG A 71 1.687 -8.387 -3.251 1.00 71.20 O ATOM 975 CB ARG A 71 0.062 -7.904 -0.373 1.00 34.30 C ATOM 976 CG ARG A 71 -1.043 -8.432 -1.274 1.00 51.10 C ATOM 977 CD ARG A 71 -1.077 -9.951 -1.282 1.00 55.30 C ATOM 978 NE ARG A 71 -2.104 -10.470 -2.181 1.00 14.50 N ATOM 979 CZ ARG A 71 -2.462 -11.750 -2.237 1.00 52.40 C ATOM 980 NH1 ARG A 71 -1.878 -12.640 -1.448 1.00 52.10 N ATOM 981 NH2 ARG A 71 -3.405 -12.140 -3.083 1.00 34.20 N ATOM 0 H ARG A 71 2.096 -7.153 0.809 1.00 25.10 H new ATOM 0 HA ARG A 71 1.568 -9.335 -0.926 1.00 30.30 H new ATOM 0 HB2 ARG A 71 -0.074 -8.308 0.630 1.00 34.30 H new ATOM 0 HB3 ARG A 71 -0.030 -6.821 -0.295 1.00 34.30 H new ATOM 0 HG2 ARG A 71 -2.005 -8.047 -0.935 1.00 51.10 H new ATOM 0 HG3 ARG A 71 -0.893 -8.065 -2.289 1.00 51.10 H new ATOM 0 HD2 ARG A 71 -0.103 -10.334 -1.585 1.00 55.30 H new ATOM 0 HD3 ARG A 71 -1.262 -10.315 -0.271 1.00 55.30 H new ATOM 0 HE ARG A 71 -2.575 -9.812 -2.803 1.00 14.50 H new ATOM 0 HH11 ARG A 71 -1.152 -12.344 -0.795 1.00 52.10 H new ATOM 0 HH12 ARG A 71 -2.155 -13.621 -1.493 1.00 52.10 H new ATOM 0 HH21 ARG A 71 -3.857 -11.458 -3.692 1.00 34.20 H new ATOM 0 HH22 ARG A 71 -3.678 -13.122 -3.125 1.00 34.20 H new ATOM 995 N ALA A 72 1.893 -6.353 -2.313 1.00 62.20 N ATOM 996 CA ALA A 72 2.120 -5.670 -3.581 1.00 1.10 C ATOM 997 C ALA A 72 3.468 -6.058 -4.179 1.00 24.50 C ATOM 998 O ALA A 72 3.622 -6.122 -5.399 1.00 24.40 O ATOM 999 CB ALA A 72 2.039 -4.163 -3.390 1.00 23.00 C ATOM 0 H ALA A 72 1.902 -5.741 -1.497 1.00 62.20 H new ATOM 0 HA ALA A 72 1.341 -5.979 -4.277 1.00 1.10 H new ATOM 0 HB1 ALA A 72 2.210 -3.666 -4.345 1.00 23.00 H new ATOM 0 HB2 ALA A 72 1.051 -3.896 -3.014 1.00 23.00 H new ATOM 0 HB3 ALA A 72 2.797 -3.846 -2.674 1.00 23.00 H new ATOM 1005 N GLU A 73 4.442 -6.317 -3.312 1.00 31.20 N ATOM 1006 CA GLU A 73 5.778 -6.699 -3.755 1.00 3.50 C ATOM 1007 C GLU A 73 5.733 -7.987 -4.571 1.00 73.30 C ATOM 1008 O GLU A 73 6.384 -8.099 -5.609 1.00 43.30 O ATOM 1009 CB GLU A 73 6.706 -6.876 -2.552 1.00 71.30 C ATOM 1010 CG GLU A 73 7.419 -5.598 -2.140 1.00 23.30 C ATOM 1011 CD GLU A 73 7.959 -5.662 -0.725 1.00 1.45 C ATOM 1012 OE1 GLU A 73 8.379 -6.758 -0.299 1.00 73.30 O ATOM 1013 OE2 GLU A 73 7.963 -4.615 -0.043 1.00 24.20 O ATOM 0 H GLU A 73 4.331 -6.269 -2.299 1.00 31.20 H new ATOM 0 HA GLU A 73 6.165 -5.902 -4.389 1.00 3.50 H new ATOM 0 HB2 GLU A 73 6.125 -7.247 -1.707 1.00 71.30 H new ATOM 0 HB3 GLU A 73 7.450 -7.638 -2.786 1.00 71.30 H new ATOM 0 HG2 GLU A 73 8.241 -5.406 -2.830 1.00 23.30 H new ATOM 0 HG3 GLU A 73 6.729 -4.758 -2.224 1.00 23.30 H new ATOM 1020 N LYS A 74 4.960 -8.957 -4.093 1.00 62.40 N ATOM 1021 CA LYS A 74 4.830 -10.230 -4.778 1.00 21.50 C ATOM 1022 C LYS A 74 3.959 -10.100 -6.023 1.00 54.10 C ATOM 1023 O LYS A 74 4.242 -10.700 -7.059 1.00 23.30 O ATOM 1024 CB LYS A 74 4.234 -11.280 -3.836 1.00 15.50 C ATOM 1025 CG LYS A 74 5.262 -11.940 -2.930 1.00 30.30 C ATOM 1026 CD LYS A 74 4.829 -13.340 -2.521 1.00 42.30 C ATOM 1027 CE LYS A 74 3.719 -13.300 -1.483 1.00 54.00 C ATOM 1028 NZ LYS A 74 2.747 -14.410 -1.664 1.00 62.30 N ATOM 0 H LYS A 74 4.416 -8.882 -3.234 1.00 62.40 H new ATOM 0 HA LYS A 74 5.826 -10.546 -5.088 1.00 21.50 H new ATOM 0 HB2 LYS A 74 3.468 -10.810 -3.220 1.00 15.50 H new ATOM 0 HB3 LYS A 74 3.738 -12.048 -4.429 1.00 15.50 H new ATOM 0 HG2 LYS A 74 6.222 -11.991 -3.444 1.00 30.30 H new ATOM 0 HG3 LYS A 74 5.409 -11.329 -2.039 1.00 30.30 H new ATOM 0 HD2 LYS A 74 4.487 -13.887 -3.400 1.00 42.30 H new ATOM 0 HD3 LYS A 74 5.684 -13.884 -2.120 1.00 42.30 H new ATOM 0 HE2 LYS A 74 4.154 -13.358 -0.485 1.00 54.00 H new ATOM 0 HE3 LYS A 74 3.196 -12.346 -1.548 1.00 54.00 H new ATOM 0 HZ1 LYS A 74 2.007 -14.346 -0.936 1.00 62.30 H new ATOM 0 HZ2 LYS A 74 2.313 -14.341 -2.606 1.00 62.30 H new ATOM 0 HZ3 LYS A 74 3.240 -15.321 -1.576 1.00 62.30 H new ATOM 1042 N LEU A 75 2.898 -9.309 -5.914 1.00 60.40 N ATOM 1043 CA LEU A 75 1.985 -9.095 -7.032 1.00 45.40 C ATOM 1044 C LEU A 75 2.726 -8.522 -8.236 1.00 3.02 C ATOM 1045 O LEU A 75 2.631 -9.049 -9.345 1.00 12.40 O ATOM 1046 CB LEU A 75 0.849 -8.156 -6.616 1.00 3.12 C ATOM 1047 CG LEU A 75 -0.540 -8.795 -6.589 1.00 1.45 C ATOM 1048 CD1 LEU A 75 -0.810 -9.429 -5.233 1.00 51.10 C ATOM 1049 CD2 LEU A 75 -1.607 -7.761 -6.917 1.00 13.30 C ATOM 0 H LEU A 75 2.648 -8.805 -5.063 1.00 60.40 H new ATOM 0 HA LEU A 75 1.562 -10.059 -7.316 1.00 45.40 H new ATOM 0 HB2 LEU A 75 1.070 -7.760 -5.625 1.00 3.12 H new ATOM 0 HB3 LEU A 75 0.829 -7.308 -7.301 1.00 3.12 H new ATOM 0 HG LEU A 75 -0.574 -9.578 -7.346 1.00 1.45 H new ATOM 0 HD11 LEU A 75 -1.803 -9.879 -5.233 1.00 51.10 H new ATOM 0 HD12 LEU A 75 -0.063 -10.198 -5.036 1.00 51.10 H new ATOM 0 HD13 LEU A 75 -0.757 -8.665 -4.457 1.00 51.10 H new ATOM 0 HD21 LEU A 75 -2.590 -8.232 -6.894 1.00 13.30 H new ATOM 0 HD22 LEU A 75 -1.573 -6.957 -6.182 1.00 13.30 H new ATOM 0 HD23 LEU A 75 -1.424 -7.352 -7.911 1.00 13.30 H new ATOM 1061 N LYS A 76 3.465 -7.442 -8.010 1.00 11.00 N ATOM 1062 CA LYS A 76 4.225 -6.799 -9.076 1.00 55.30 C ATOM 1063 C LYS A 76 5.363 -7.697 -9.550 1.00 63.00 C ATOM 1064 O LYS A 76 5.790 -7.619 -10.700 1.00 42.40 O ATOM 1065 CB LYS A 76 4.784 -5.458 -8.595 1.00 3.34 C ATOM 1066 CG LYS A 76 5.781 -5.589 -7.455 1.00 30.10 C ATOM 1067 CD LYS A 76 5.984 -4.264 -6.738 1.00 73.00 C ATOM 1068 CE LYS A 76 7.395 -4.139 -6.187 1.00 73.30 C ATOM 1069 NZ LYS A 76 7.654 -2.786 -5.622 1.00 72.20 N ATOM 0 H LYS A 76 3.554 -6.993 -7.098 1.00 11.00 H new ATOM 0 HA LYS A 76 3.551 -6.624 -9.914 1.00 55.30 H new ATOM 0 HB2 LYS A 76 5.266 -4.953 -9.432 1.00 3.34 H new ATOM 0 HB3 LYS A 76 3.958 -4.824 -8.273 1.00 3.34 H new ATOM 0 HG2 LYS A 76 5.428 -6.337 -6.746 1.00 30.10 H new ATOM 0 HG3 LYS A 76 6.736 -5.944 -7.844 1.00 30.10 H new ATOM 0 HD2 LYS A 76 5.787 -3.443 -7.427 1.00 73.00 H new ATOM 0 HD3 LYS A 76 5.265 -4.176 -5.923 1.00 73.00 H new ATOM 0 HE2 LYS A 76 7.550 -4.891 -5.413 1.00 73.30 H new ATOM 0 HE3 LYS A 76 8.114 -4.345 -6.980 1.00 73.30 H new ATOM 0 HZ1 LYS A 76 8.627 -2.743 -5.257 1.00 72.20 H new ATOM 0 HZ2 LYS A 76 7.531 -2.070 -6.366 1.00 72.20 H new ATOM 0 HZ3 LYS A 76 6.985 -2.599 -4.848 1.00 72.20 H new ATOM 1083 N GLU A 77 5.853 -8.549 -8.653 1.00 74.50 N ATOM 1084 CA GLU A 77 6.944 -9.462 -8.976 1.00 61.10 C ATOM 1085 C GLU A 77 6.615 -10.300 -10.200 1.00 10.20 C ATOM 1086 O GLU A 77 7.356 -10.290 -11.190 1.00 33.20 O ATOM 1087 CB GLU A 77 7.238 -10.370 -7.786 1.00 25.20 C ATOM 1088 CG GLU A 77 8.630 -10.980 -7.818 1.00 72.00 C ATOM 1089 CD GLU A 77 8.908 -11.860 -6.615 1.00 60.40 C ATOM 1090 OE1 GLU A 77 8.562 -13.060 -6.665 1.00 11.40 O ATOM 1091 OE2 GLU A 77 9.472 -11.350 -5.624 1.00 14.20 O ATOM 0 H GLU A 77 5.510 -8.626 -7.695 1.00 74.50 H new ATOM 0 HA GLU A 77 7.828 -8.865 -9.200 1.00 61.10 H new ATOM 0 HB2 GLU A 77 7.122 -9.798 -6.865 1.00 25.20 H new ATOM 0 HB3 GLU A 77 6.499 -11.171 -7.759 1.00 25.20 H new ATOM 0 HG2 GLU A 77 8.744 -11.569 -8.728 1.00 72.00 H new ATOM 0 HG3 GLU A 77 9.372 -10.182 -7.859 1.00 72.00 H new ATOM 1098 N TYR A 78 5.503 -11.020 -10.140 1.00 25.10 N ATOM 1099 CA TYR A 78 5.085 -11.870 -11.260 1.00 11.40 C ATOM 1100 C TYR A 78 4.688 -11.020 -12.460 1.00 45.20 C ATOM 1101 O TYR A 78 4.940 -11.400 -13.610 1.00 63.40 O ATOM 1102 CB TYR A 78 3.924 -12.780 -10.830 1.00 30.30 C ATOM 1103 CG TYR A 78 2.572 -12.090 -10.810 1.00 21.00 C ATOM 1104 CD1 TYR A 78 1.875 -11.850 -11.990 1.00 63.20 C ATOM 1105 CD2 TYR A 78 1.994 -11.690 -9.615 1.00 11.20 C ATOM 1106 CE1 TYR A 78 0.641 -11.230 -11.970 1.00 34.50 C ATOM 1107 CE2 TYR A 78 0.760 -11.070 -9.591 1.00 73.20 C ATOM 1108 CZ TYR A 78 0.088 -10.840 -10.770 1.00 23.00 C ATOM 1109 OH TYR A 78 -1.141 -10.220 -10.750 1.00 15.30 O ATOM 0 H TYR A 78 4.875 -11.037 -9.337 1.00 25.10 H new ATOM 0 HA TYR A 78 5.926 -12.497 -11.554 1.00 11.40 H new ATOM 0 HB2 TYR A 78 3.875 -13.633 -11.507 1.00 30.30 H new ATOM 0 HB3 TYR A 78 4.134 -13.174 -9.836 1.00 30.30 H new ATOM 0 HD1 TYR A 78 2.304 -12.152 -12.934 1.00 63.20 H new ATOM 0 HD2 TYR A 78 2.518 -11.866 -8.687 1.00 11.20 H new ATOM 0 HE1 TYR A 78 0.110 -11.051 -12.894 1.00 34.50 H new ATOM 0 HE2 TYR A 78 0.324 -10.767 -8.651 1.00 73.20 H new ATOM 0 HH TYR A 78 -1.743 -10.706 -10.148 1.00 15.30 H new ATOM 1119 N LEU A 79 4.065 -9.881 -12.200 1.00 34.10 N ATOM 1120 CA LEU A 79 3.633 -8.981 -13.260 1.00 43.20 C ATOM 1121 C LEU A 79 4.827 -8.470 -14.060 1.00 23.40 C ATOM 1122 O LEU A 79 4.770 -8.369 -15.290 1.00 41.30 O ATOM 1123 CB LEU A 79 2.855 -7.802 -12.670 1.00 42.10 C ATOM 1124 CG LEU A 79 1.446 -8.136 -12.180 1.00 73.50 C ATOM 1125 CD1 LEU A 79 0.831 -6.943 -11.470 1.00 23.10 C ATOM 1126 CD2 LEU A 79 0.567 -8.574 -13.350 1.00 65.20 C ATOM 0 H LEU A 79 3.846 -9.556 -11.258 1.00 34.10 H new ATOM 0 HA LEU A 79 2.980 -9.537 -13.933 1.00 43.20 H new ATOM 0 HB2 LEU A 79 3.425 -7.391 -11.837 1.00 42.10 H new ATOM 0 HB3 LEU A 79 2.784 -7.019 -13.425 1.00 42.10 H new ATOM 0 HG LEU A 79 1.513 -8.960 -11.469 1.00 73.50 H new ATOM 0 HD11 LEU A 79 -0.172 -7.200 -11.129 1.00 23.10 H new ATOM 0 HD12 LEU A 79 1.448 -6.672 -10.613 1.00 23.10 H new ATOM 0 HD13 LEU A 79 0.775 -6.099 -12.158 1.00 23.10 H new ATOM 0 HD21 LEU A 79 -0.433 -8.809 -12.986 1.00 65.20 H new ATOM 0 HD22 LEU A 79 0.507 -7.768 -14.082 1.00 65.20 H new ATOM 0 HD23 LEU A 79 0.999 -9.458 -13.819 1.00 65.20 H new ATOM 1138 N LYS A 80 5.909 -8.148 -13.360 1.00 23.40 N ATOM 1139 CA LYS A 80 7.117 -7.647 -14.000 1.00 53.10 C ATOM 1140 C LYS A 80 7.901 -8.785 -14.650 1.00 71.50 C ATOM 1141 O LYS A 80 8.561 -8.596 -15.670 1.00 11.10 O ATOM 1142 CB LYS A 80 7.997 -6.919 -12.980 1.00 15.10 C ATOM 1143 CG LYS A 80 7.738 -5.422 -12.920 1.00 51.30 C ATOM 1144 CD LYS A 80 8.977 -4.662 -12.470 1.00 65.10 C ATOM 1145 CE LYS A 80 8.941 -4.363 -10.980 1.00 14.10 C ATOM 1146 NZ LYS A 80 9.605 -3.070 -10.660 1.00 54.50 N ATOM 0 H LYS A 80 5.973 -8.226 -12.345 1.00 23.40 H new ATOM 0 HA LYS A 80 6.821 -6.944 -14.779 1.00 53.10 H new ATOM 0 HB2 LYS A 80 7.829 -7.349 -11.993 1.00 15.10 H new ATOM 0 HB3 LYS A 80 9.045 -7.090 -13.228 1.00 15.10 H new ATOM 0 HG2 LYS A 80 7.427 -5.065 -13.902 1.00 51.30 H new ATOM 0 HG3 LYS A 80 6.916 -5.221 -12.233 1.00 51.30 H new ATOM 0 HD2 LYS A 80 9.867 -5.246 -12.703 1.00 65.10 H new ATOM 0 HD3 LYS A 80 9.054 -3.728 -13.027 1.00 65.10 H new ATOM 0 HE2 LYS A 80 7.906 -4.334 -10.640 1.00 14.10 H new ATOM 0 HE3 LYS A 80 9.433 -5.169 -10.435 1.00 14.10 H new ATOM 0 HZ1 LYS A 80 9.560 -2.901 -9.635 1.00 54.50 H new ATOM 0 HZ2 LYS A 80 10.600 -3.107 -10.962 1.00 54.50 H new ATOM 0 HZ3 LYS A 80 9.120 -2.298 -11.160 1.00 54.50 H new ATOM 1160 N ASN A 81 7.823 -9.967 -14.050 1.00 3.11 N ATOM 1161 CA ASN A 81 8.526 -11.130 -14.560 1.00 31.10 C ATOM 1162 C ASN A 81 7.924 -11.590 -15.890 1.00 41.10 C ATOM 1163 O ASN A 81 8.642 -11.810 -16.860 1.00 25.40 O ATOM 1164 CB ASN A 81 8.472 -12.270 -13.550 1.00 53.40 C ATOM 1165 CG ASN A 81 9.748 -13.090 -13.530 1.00 33.10 C ATOM 1166 OD1 ASN A 81 9.810 -14.180 -14.100 1.00 74.30 O ATOM 1167 ND2 ASN A 81 10.776 -12.570 -12.870 1.00 62.00 N ATOM 0 H ASN A 81 7.277 -10.142 -13.207 1.00 3.11 H new ATOM 0 HA ASN A 81 9.566 -10.848 -14.725 1.00 31.10 H new ATOM 0 HB2 ASN A 81 8.291 -11.862 -12.556 1.00 53.40 H new ATOM 0 HB3 ASN A 81 7.630 -12.920 -13.786 1.00 53.40 H new ATOM 0 HD21 ASN A 81 11.660 -13.077 -12.821 1.00 62.00 H new ATOM 0 HD22 ASN A 81 10.682 -11.664 -12.412 1.00 62.00 H new