USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 733 hydrogens (12 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 71 THR OG1 : rot 180:sc= -0.0231 USER MOD Set 1.2: A 74 GLN : amide:sc= 0.196 K(o=0.17,f=-3.7!) USER MOD Set 2.1: A 72 HIS :FLIP no HE2:sc= 0.509 F(o=-0.69,f=1) USER MOD Set 2.2: A 101 33B O62 : rot 141:sc= 0.537 USER MOD Set 3.1: A 29 THR OG1 : rot 180:sc= 0.385 USER MOD Set 3.2: A 30 SER OG : rot 180:sc= 0.0367 USER MOD Set 4.1: A 14 LYS NZ :NH3+ -143:sc= 1.94 (180deg=0.685) USER MOD Set 4.2: A 82 THR OG1 : rot -65:sc= 1.81 USER MOD Single : A 1 GLY N :NH3+ -124:sc= 0.151 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -0.0505 K(o=-0.051,f=-2.1!) USER MOD Single : A 17 ASN : amide:sc= -0.011 X(o=-0.011,f=-0.053) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 33 HIS : no HD1:sc= -0.401 X(o=-0.4,f=-0.39) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot 76:sc= 0.101 USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 55 LYS NZ :NH3+ -171:sc= -0.0133 (180deg=-0.129) USER MOD Single : A 63 ASN : amide:sc= 0.871 K(o=0.87,f=-6.7!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 75:sc= 1.17 USER MOD Single : A 81 ASN : amide:sc= -0.33 X(o=-0.33,f=-0.35) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.066) USER MOD Single : A 87 HIS :FLIP no HE2:sc= -0.0862 F(o=-2.5!,f=-0.086) USER MOD Single : A 92 LYS NZ :NH3+ 154:sc= 1.27 (180deg=1.07) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 33B O72 : rot 180:sc= 0.0464 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.452 0.178 -12.083 1.00 63.12 N ATOM 2 CA GLY A 1 -13.093 0.070 -11.580 1.00 51.41 C ATOM 3 C GLY A 1 -12.553 -1.270 -11.899 1.00 20.44 C ATOM 4 O GLY A 1 -13.167 -2.067 -12.626 1.00 34.33 O ATOM 0 H1 GLY A 1 -14.523 0.999 -12.718 1.00 63.12 H new ATOM 0 H2 GLY A 1 -14.698 -0.686 -12.606 1.00 63.12 H new ATOM 0 H3 GLY A 1 -15.109 0.299 -11.286 1.00 63.12 H new ATOM 0 HA2 GLY A 1 -12.466 0.842 -12.027 1.00 51.41 H new ATOM 0 HA3 GLY A 1 -13.079 0.232 -10.502 1.00 51.41 H new ATOM 10 N PRO A 2 -11.362 -1.534 -11.360 1.00 33.53 N ATOM 11 CA PRO A 2 -10.640 -2.768 -11.603 1.00 32.23 C ATOM 12 C PRO A 2 -11.399 -3.922 -10.983 1.00 61.21 C ATOM 13 O PRO A 2 -12.186 -3.707 -10.044 1.00 33.30 O ATOM 14 CB PRO A 2 -9.273 -2.549 -10.907 1.00 32.13 C ATOM 15 CG PRO A 2 -9.544 -1.472 -9.840 1.00 23.13 C ATOM 16 CD PRO A 2 -10.636 -0.610 -10.474 1.00 61.35 C ATOM 0 HA PRO A 2 -10.520 -3.005 -12.660 1.00 32.23 H new ATOM 0 HB2 PRO A 2 -8.907 -3.471 -10.455 1.00 32.13 H new ATOM 0 HB3 PRO A 2 -8.515 -2.220 -11.618 1.00 32.13 H new ATOM 0 HG2 PRO A 2 -9.876 -1.913 -8.900 1.00 23.13 H new ATOM 0 HG3 PRO A 2 -8.649 -0.890 -9.621 1.00 23.13 H new ATOM 0 HD2 PRO A 2 -11.295 -0.184 -9.718 1.00 61.35 H new ATOM 0 HD3 PRO A 2 -10.210 0.224 -11.032 1.00 61.35 H new ATOM 24 N LYS A 3 -11.160 -5.145 -11.509 1.00 0.23 N ATOM 25 CA LYS A 3 -11.776 -6.366 -11.000 1.00 22.13 C ATOM 26 C LYS A 3 -11.181 -6.615 -9.632 1.00 44.52 C ATOM 27 O LYS A 3 -10.184 -6.009 -9.259 1.00 51.11 O ATOM 28 CB LYS A 3 -11.404 -7.601 -11.861 1.00 10.42 C ATOM 29 CG LYS A 3 -11.607 -7.407 -13.353 1.00 21.13 C ATOM 30 CD LYS A 3 -10.898 -8.487 -14.145 1.00 33.51 C ATOM 31 CE LYS A 3 -10.941 -8.276 -15.659 1.00 1.12 C ATOM 32 NZ LYS A 3 -9.917 -9.110 -16.309 1.00 64.42 N ATOM 0 H LYS A 3 -10.533 -5.300 -12.298 1.00 0.23 H new ATOM 0 HA LYS A 3 -12.859 -6.239 -11.001 1.00 22.13 H new ATOM 0 HB2 LYS A 3 -10.360 -7.855 -11.678 1.00 10.42 H new ATOM 0 HB3 LYS A 3 -12.001 -8.451 -11.533 1.00 10.42 H new ATOM 0 HG2 LYS A 3 -12.672 -7.423 -13.583 1.00 21.13 H new ATOM 0 HG3 LYS A 3 -11.231 -6.428 -13.650 1.00 21.13 H new ATOM 0 HD2 LYS A 3 -9.857 -8.535 -13.824 1.00 33.51 H new ATOM 0 HD3 LYS A 3 -11.349 -9.451 -13.910 1.00 33.51 H new ATOM 0 HE2 LYS A 3 -11.929 -8.532 -16.043 1.00 1.12 H new ATOM 0 HE3 LYS A 3 -10.770 -7.225 -15.894 1.00 1.12 H new ATOM 0 HZ1 LYS A 3 -9.951 -8.962 -17.338 1.00 64.42 H new ATOM 0 HZ2 LYS A 3 -8.976 -8.846 -15.952 1.00 64.42 H new ATOM 0 HZ3 LYS A 3 -10.099 -10.112 -16.097 1.00 64.42 H new ATOM 46 N PRO A 4 -11.750 -7.554 -8.878 1.00 61.22 N ATOM 47 CA PRO A 4 -11.067 -8.123 -7.731 1.00 52.13 C ATOM 48 C PRO A 4 -9.844 -8.869 -8.250 1.00 21.54 C ATOM 49 O PRO A 4 -9.987 -9.687 -9.160 1.00 72.43 O ATOM 50 CB PRO A 4 -12.101 -9.080 -7.094 1.00 24.33 C ATOM 51 CG PRO A 4 -13.091 -9.404 -8.240 1.00 12.24 C ATOM 52 CD PRO A 4 -13.089 -8.130 -9.093 1.00 5.20 C ATOM 0 HA PRO A 4 -10.724 -7.393 -6.998 1.00 52.13 H new ATOM 0 HB2 PRO A 4 -11.624 -9.984 -6.715 1.00 24.33 H new ATOM 0 HB3 PRO A 4 -12.609 -8.611 -6.252 1.00 24.33 H new ATOM 0 HG2 PRO A 4 -12.768 -10.272 -8.815 1.00 12.24 H new ATOM 0 HG3 PRO A 4 -14.087 -9.628 -7.858 1.00 12.24 H new ATOM 0 HD2 PRO A 4 -13.262 -8.355 -10.145 1.00 5.20 H new ATOM 0 HD3 PRO A 4 -13.874 -7.441 -8.782 1.00 5.20 H new ATOM 60 N GLY A 5 -8.651 -8.592 -7.704 1.00 11.20 N ATOM 61 CA GLY A 5 -7.460 -9.329 -8.136 1.00 42.44 C ATOM 62 C GLY A 5 -6.868 -8.680 -9.357 1.00 61.41 C ATOM 63 O GLY A 5 -6.041 -9.281 -10.038 1.00 30.20 O ATOM 0 H GLY A 5 -8.489 -7.886 -6.986 1.00 11.20 H new ATOM 0 HA2 GLY A 5 -6.724 -9.350 -7.332 1.00 42.44 H new ATOM 0 HA3 GLY A 5 -7.722 -10.364 -8.355 1.00 42.44 H new ATOM 67 N ASP A 6 -7.305 -7.456 -9.678 1.00 23.53 N ATOM 68 CA ASP A 6 -6.810 -6.772 -10.874 1.00 14.45 C ATOM 69 C ASP A 6 -5.855 -5.723 -10.385 1.00 72.40 C ATOM 70 O ASP A 6 -6.002 -5.221 -9.269 1.00 64.13 O ATOM 71 CB ASP A 6 -7.930 -6.123 -11.717 1.00 3.14 C ATOM 72 CG ASP A 6 -7.371 -5.510 -12.984 1.00 61.25 C ATOM 73 OD1 ASP A 6 -6.578 -6.181 -13.688 1.00 33.21 O ATOM 74 OD2 ASP A 6 -7.758 -4.372 -13.303 1.00 3.33 O ATOM 0 H ASP A 6 -7.989 -6.928 -9.135 1.00 23.53 H new ATOM 0 HA ASP A 6 -6.336 -7.496 -11.537 1.00 14.45 H new ATOM 0 HB2 ASP A 6 -8.679 -6.873 -11.972 1.00 3.14 H new ATOM 0 HB3 ASP A 6 -8.434 -5.356 -11.129 1.00 3.14 H new ATOM 79 N ILE A 7 -4.812 -5.430 -11.192 1.00 64.54 N ATOM 80 CA ILE A 7 -3.727 -4.578 -10.761 1.00 72.13 C ATOM 81 C ILE A 7 -4.014 -3.226 -11.332 1.00 50.41 C ATOM 82 O ILE A 7 -4.344 -3.087 -12.507 1.00 32.31 O ATOM 83 CB ILE A 7 -2.336 -5.062 -11.241 1.00 3.44 C ATOM 84 CG1 ILE A 7 -1.879 -6.328 -10.480 1.00 53.23 C ATOM 85 CG2 ILE A 7 -1.300 -3.927 -11.096 1.00 31.10 C ATOM 86 CD1 ILE A 7 -2.661 -7.589 -10.797 1.00 44.42 C ATOM 0 H ILE A 7 -4.716 -5.781 -12.145 1.00 64.54 H new ATOM 0 HA ILE A 7 -3.678 -4.580 -9.672 1.00 72.13 H new ATOM 0 HB ILE A 7 -2.417 -5.331 -12.294 1.00 3.44 H new ATOM 0 HG12 ILE A 7 -0.827 -6.506 -10.702 1.00 53.23 H new ATOM 0 HG13 ILE A 7 -1.950 -6.135 -9.410 1.00 53.23 H new ATOM 0 HG21 ILE A 7 -0.326 -4.278 -11.436 1.00 31.10 H new ATOM 0 HG22 ILE A 7 -1.609 -3.073 -11.699 1.00 31.10 H new ATOM 0 HG23 ILE A 7 -1.233 -3.627 -10.050 1.00 31.10 H new ATOM 0 HD11 ILE A 7 -2.264 -8.420 -10.213 1.00 44.42 H new ATOM 0 HD12 ILE A 7 -3.711 -7.439 -10.546 1.00 44.42 H new ATOM 0 HD13 ILE A 7 -2.570 -7.816 -11.859 1.00 44.42 H new ATOM 98 N PHE A 8 -3.914 -2.202 -10.492 1.00 34.22 N ATOM 99 CA PHE A 8 -4.170 -0.854 -10.911 1.00 34.43 C ATOM 100 C PHE A 8 -3.047 -0.028 -10.368 1.00 11.22 C ATOM 101 O PHE A 8 -2.456 -0.365 -9.339 1.00 73.23 O ATOM 102 CB PHE A 8 -5.552 -0.263 -10.429 1.00 13.25 C ATOM 103 CG PHE A 8 -5.727 -0.394 -8.915 1.00 33.21 C ATOM 104 CD1 PHE A 8 -5.855 -1.669 -8.280 1.00 4.02 C ATOM 105 CD2 PHE A 8 -5.816 0.767 -8.111 1.00 70.14 C ATOM 106 CE1 PHE A 8 -6.032 -1.754 -6.882 1.00 21.40 C ATOM 107 CE2 PHE A 8 -6.007 0.668 -6.717 1.00 2.23 C ATOM 108 CZ PHE A 8 -6.111 -0.589 -6.107 1.00 2.20 C ATOM 0 H PHE A 8 -3.654 -2.295 -9.510 1.00 34.22 H new ATOM 0 HA PHE A 8 -4.231 -0.839 -11.999 1.00 34.43 H new ATOM 0 HB2 PHE A 8 -5.617 0.787 -10.713 1.00 13.25 H new ATOM 0 HB3 PHE A 8 -6.366 -0.782 -10.936 1.00 13.25 H new ATOM 0 HD1 PHE A 8 -5.816 -2.571 -8.873 1.00 4.02 H new ATOM 0 HD2 PHE A 8 -5.737 1.741 -8.570 1.00 70.14 H new ATOM 0 HE1 PHE A 8 -6.107 -2.721 -6.408 1.00 21.40 H new ATOM 0 HE2 PHE A 8 -6.073 1.564 -6.118 1.00 2.23 H new ATOM 0 HZ PHE A 8 -6.252 -0.660 -5.039 1.00 2.20 H new ATOM 118 N GLU A 9 -2.694 1.061 -11.078 1.00 72.13 N ATOM 119 CA GLU A 9 -1.609 1.895 -10.641 1.00 41.20 C ATOM 120 C GLU A 9 -2.238 3.091 -10.012 1.00 42.50 C ATOM 121 O GLU A 9 -3.236 3.630 -10.528 1.00 23.44 O ATOM 122 CB GLU A 9 -0.728 2.426 -11.799 1.00 12.51 C ATOM 123 CG GLU A 9 -0.182 1.324 -12.721 1.00 33.41 C ATOM 124 CD GLU A 9 0.787 1.963 -13.678 1.00 54.13 C ATOM 125 OE1 GLU A 9 0.404 2.934 -14.347 1.00 1.30 O ATOM 126 OE2 GLU A 9 1.948 1.530 -13.738 1.00 3.34 O ATOM 0 H GLU A 9 -3.149 1.362 -11.940 1.00 72.13 H new ATOM 0 HA GLU A 9 -0.973 1.304 -9.982 1.00 41.20 H new ATOM 0 HB2 GLU A 9 -1.312 3.128 -12.394 1.00 12.51 H new ATOM 0 HB3 GLU A 9 0.110 2.983 -11.379 1.00 12.51 H new ATOM 0 HG2 GLU A 9 0.313 0.548 -12.137 1.00 33.41 H new ATOM 0 HG3 GLU A 9 -0.995 0.843 -13.265 1.00 33.41 H new ATOM 133 N VAL A 10 -1.687 3.531 -8.885 1.00 24.12 N ATOM 134 CA VAL A 10 -2.148 4.727 -8.258 1.00 32.40 C ATOM 135 C VAL A 10 -0.928 5.530 -8.025 1.00 51.20 C ATOM 136 O VAL A 10 0.042 5.034 -7.450 1.00 51.32 O ATOM 137 CB VAL A 10 -2.827 4.471 -6.908 1.00 23.24 C ATOM 138 CG1 VAL A 10 -3.265 5.811 -6.287 1.00 62.14 C ATOM 139 CG2 VAL A 10 -4.009 3.512 -7.137 1.00 13.12 C ATOM 0 H VAL A 10 -0.921 3.064 -8.400 1.00 24.12 H new ATOM 0 HA VAL A 10 -2.891 5.214 -8.889 1.00 32.40 H new ATOM 0 HB VAL A 10 -2.140 4.004 -6.202 1.00 23.24 H new ATOM 0 HG11 VAL A 10 -3.748 5.627 -5.327 1.00 62.14 H new ATOM 0 HG12 VAL A 10 -2.392 6.446 -6.138 1.00 62.14 H new ATOM 0 HG13 VAL A 10 -3.966 6.310 -6.956 1.00 62.14 H new ATOM 0 HG21 VAL A 10 -4.507 3.316 -6.188 1.00 13.12 H new ATOM 0 HG22 VAL A 10 -4.716 3.966 -7.831 1.00 13.12 H new ATOM 0 HG23 VAL A 10 -3.641 2.575 -7.554 1.00 13.12 H new ATOM 149 N GLU A 11 -0.931 6.791 -8.476 1.00 11.22 N ATOM 150 CA GLU A 11 0.153 7.658 -8.160 1.00 24.15 C ATOM 151 C GLU A 11 -0.352 8.559 -7.085 1.00 4.32 C ATOM 152 O GLU A 11 -1.256 9.369 -7.288 1.00 2.13 O ATOM 153 CB GLU A 11 0.750 8.443 -9.353 1.00 73.25 C ATOM 154 CG GLU A 11 -0.213 9.356 -10.137 1.00 13.43 C ATOM 155 CD GLU A 11 0.545 9.923 -11.329 1.00 23.44 C ATOM 156 OE1 GLU A 11 1.714 9.525 -11.548 1.00 61.21 O ATOM 157 OE2 GLU A 11 -0.012 10.774 -12.043 1.00 14.23 O ATOM 0 H GLU A 11 -1.667 7.205 -9.048 1.00 11.22 H new ATOM 0 HA GLU A 11 1.004 7.059 -7.836 1.00 24.15 H new ATOM 0 HB2 GLU A 11 1.570 9.056 -8.980 1.00 73.25 H new ATOM 0 HB3 GLU A 11 1.180 7.725 -10.051 1.00 73.25 H new ATOM 0 HG2 GLU A 11 -1.084 8.793 -10.472 1.00 13.43 H new ATOM 0 HG3 GLU A 11 -0.579 10.161 -9.500 1.00 13.43 H new ATOM 164 N LEU A 12 0.167 8.356 -5.877 1.00 54.51 N ATOM 165 CA LEU A 12 -0.431 8.901 -4.708 1.00 55.22 C ATOM 166 C LEU A 12 0.372 10.079 -4.339 1.00 60.13 C ATOM 167 O LEU A 12 1.597 9.977 -4.167 1.00 44.32 O ATOM 168 CB LEU A 12 -0.368 7.887 -3.531 1.00 70.11 C ATOM 169 CG LEU A 12 -1.495 8.011 -2.488 1.00 33.43 C ATOM 170 CD1 LEU A 12 -1.426 9.282 -1.640 1.00 4.52 C ATOM 171 CD2 LEU A 12 -2.871 7.792 -3.115 1.00 22.41 C ATOM 0 H LEU A 12 1.010 7.809 -5.704 1.00 54.51 H new ATOM 0 HA LEU A 12 -1.476 9.146 -4.900 1.00 55.22 H new ATOM 0 HB2 LEU A 12 -0.387 6.878 -3.942 1.00 70.11 H new ATOM 0 HB3 LEU A 12 0.589 8.006 -3.022 1.00 70.11 H new ATOM 0 HG LEU A 12 -1.330 7.201 -1.777 1.00 33.43 H new ATOM 0 HD11 LEU A 12 -2.254 9.292 -0.931 1.00 4.52 H new ATOM 0 HD12 LEU A 12 -0.482 9.305 -1.095 1.00 4.52 H new ATOM 0 HD13 LEU A 12 -1.492 10.156 -2.288 1.00 4.52 H new ATOM 0 HD21 LEU A 12 -3.640 7.887 -2.348 1.00 22.41 H new ATOM 0 HD22 LEU A 12 -3.039 8.537 -3.892 1.00 22.41 H new ATOM 0 HD23 LEU A 12 -2.917 6.795 -3.553 1.00 22.41 H new ATOM 183 N ALA A 13 -0.286 11.241 -4.252 1.00 62.32 N ATOM 184 CA ALA A 13 0.393 12.441 -3.906 1.00 31.24 C ATOM 185 C ALA A 13 0.253 12.622 -2.431 1.00 2.23 C ATOM 186 O ALA A 13 -0.814 12.445 -1.865 1.00 74.41 O ATOM 187 CB ALA A 13 -0.181 13.698 -4.585 1.00 23.25 C ATOM 0 H ALA A 13 -1.286 11.350 -4.421 1.00 62.32 H new ATOM 0 HA ALA A 13 1.426 12.339 -4.238 1.00 31.24 H new ATOM 0 HB1 ALA A 13 0.389 14.573 -4.272 1.00 23.25 H new ATOM 0 HB2 ALA A 13 -0.114 13.589 -5.668 1.00 23.25 H new ATOM 0 HB3 ALA A 13 -1.225 13.823 -4.297 1.00 23.25 H new ATOM 193 N LYS A 14 1.345 13.034 -1.791 1.00 74.33 N ATOM 194 CA LYS A 14 1.372 13.396 -0.386 1.00 44.11 C ATOM 195 C LYS A 14 0.983 14.842 -0.315 1.00 11.44 C ATOM 196 O LYS A 14 1.518 15.590 0.501 1.00 33.42 O ATOM 197 CB LYS A 14 2.781 13.272 0.274 1.00 42.12 C ATOM 198 CG LYS A 14 3.163 11.863 0.738 1.00 63.24 C ATOM 199 CD LYS A 14 3.048 10.769 -0.317 1.00 12.43 C ATOM 200 CE LYS A 14 3.796 9.476 0.062 1.00 53.12 C ATOM 201 NZ LYS A 14 5.266 9.723 0.185 1.00 73.54 N ATOM 0 H LYS A 14 2.252 13.126 -2.249 1.00 74.33 H new ATOM 0 HA LYS A 14 0.705 12.717 0.146 1.00 44.11 H new ATOM 0 HB2 LYS A 14 3.530 13.618 -0.439 1.00 42.12 H new ATOM 0 HB3 LYS A 14 2.823 13.943 1.132 1.00 42.12 H new ATOM 0 HG2 LYS A 14 4.190 11.886 1.102 1.00 63.24 H new ATOM 0 HG3 LYS A 14 2.531 11.595 1.584 1.00 63.24 H new ATOM 0 HD2 LYS A 14 1.995 10.538 -0.477 1.00 12.43 H new ATOM 0 HD3 LYS A 14 3.440 11.143 -1.263 1.00 12.43 H new ATOM 0 HE2 LYS A 14 3.408 9.091 1.005 1.00 53.12 H new ATOM 0 HE3 LYS A 14 3.614 8.712 -0.694 1.00 53.12 H new ATOM 0 HZ1 LYS A 14 5.788 8.899 -0.177 1.00 73.54 H new ATOM 0 HZ2 LYS A 14 5.524 10.566 -0.367 1.00 73.54 H new ATOM 0 HZ3 LYS A 14 5.510 9.876 1.184 1.00 73.54 H new ATOM 215 N ASN A 15 0.088 15.295 -1.221 1.00 13.21 N ATOM 216 CA ASN A 15 -0.312 16.687 -1.251 1.00 41.50 C ATOM 217 C ASN A 15 -1.299 16.860 -0.116 1.00 30.11 C ATOM 218 O ASN A 15 -2.506 16.903 -0.322 1.00 63.21 O ATOM 219 CB ASN A 15 -0.994 17.107 -2.589 1.00 54.12 C ATOM 220 CG ASN A 15 -1.154 18.630 -2.604 1.00 1.31 C ATOM 221 OD1 ASN A 15 -0.532 19.334 -1.813 1.00 33.13 O ATOM 222 ND2 ASN A 15 -1.988 19.152 -3.516 1.00 3.12 N ATOM 0 H ASN A 15 -0.358 14.710 -1.928 1.00 13.21 H new ATOM 0 HA ASN A 15 0.573 17.316 -1.156 1.00 41.50 H new ATOM 0 HB2 ASN A 15 -0.392 16.782 -3.438 1.00 54.12 H new ATOM 0 HB3 ASN A 15 -1.967 16.624 -2.685 1.00 54.12 H new ATOM 0 HD21 ASN A 15 -2.120 20.162 -3.567 1.00 3.12 H new ATOM 0 HD22 ASN A 15 -2.490 18.539 -4.159 1.00 3.12 H new ATOM 229 N ASP A 16 -0.763 16.881 1.098 1.00 75.54 N ATOM 230 CA ASP A 16 -1.495 16.992 2.316 1.00 1.24 C ATOM 231 C ASP A 16 -0.374 17.046 3.316 1.00 50.15 C ATOM 232 O ASP A 16 0.588 17.782 3.113 1.00 12.45 O ATOM 233 CB ASP A 16 -2.425 15.765 2.650 1.00 42.03 C ATOM 234 CG ASP A 16 -3.279 16.110 3.863 1.00 75.20 C ATOM 235 OD1 ASP A 16 -4.158 16.986 3.747 1.00 15.23 O ATOM 236 OD2 ASP A 16 -3.050 15.523 4.949 1.00 43.41 O ATOM 0 H ASP A 16 0.244 16.817 1.248 1.00 75.54 H new ATOM 0 HA ASP A 16 -2.183 17.837 2.293 1.00 1.24 H new ATOM 0 HB2 ASP A 16 -3.060 15.530 1.796 1.00 42.03 H new ATOM 0 HB3 ASP A 16 -1.823 14.879 2.852 1.00 42.03 H new ATOM 241 N ASN A 17 -0.435 16.234 4.372 1.00 34.55 N ATOM 242 CA ASN A 17 0.663 16.114 5.309 1.00 55.33 C ATOM 243 C ASN A 17 0.582 14.732 5.837 1.00 61.15 C ATOM 244 O ASN A 17 1.587 14.032 5.938 1.00 15.04 O ATOM 245 CB ASN A 17 0.560 17.055 6.536 1.00 50.12 C ATOM 246 CG ASN A 17 0.914 18.464 6.097 1.00 63.24 C ATOM 247 OD1 ASN A 17 2.063 18.741 5.730 1.00 11.50 O ATOM 248 ND2 ASN A 17 -0.067 19.377 6.121 1.00 65.12 N ATOM 0 H ASN A 17 -1.241 15.650 4.593 1.00 34.55 H new ATOM 0 HA ASN A 17 1.584 16.368 4.784 1.00 55.33 H new ATOM 0 HB2 ASN A 17 -0.449 17.030 6.949 1.00 50.12 H new ATOM 0 HB3 ASN A 17 1.235 16.724 7.325 1.00 50.12 H new ATOM 0 HD21 ASN A 17 0.122 20.336 5.831 1.00 65.12 H new ATOM 0 HD22 ASN A 17 -1.002 19.112 6.430 1.00 65.12 H new ATOM 255 N SER A 18 -0.642 14.308 6.206 1.00 21.41 N ATOM 256 CA SER A 18 -0.841 13.030 6.825 1.00 64.41 C ATOM 257 C SER A 18 -0.710 11.991 5.743 1.00 42.41 C ATOM 258 O SER A 18 -1.427 12.032 4.744 1.00 1.34 O ATOM 259 CB SER A 18 -2.262 12.903 7.470 1.00 32.42 C ATOM 260 OG SER A 18 -2.415 11.693 8.235 1.00 11.42 O ATOM 0 H SER A 18 -1.496 14.851 6.076 1.00 21.41 H new ATOM 0 HA SER A 18 -0.107 12.901 7.620 1.00 64.41 H new ATOM 0 HB2 SER A 18 -2.442 13.762 8.116 1.00 32.42 H new ATOM 0 HB3 SER A 18 -3.017 12.930 6.685 1.00 32.42 H new ATOM 0 HG SER A 18 -3.316 11.660 8.618 1.00 11.42 H new ATOM 266 N LEU A 19 0.229 11.035 5.921 1.00 74.25 N ATOM 267 CA LEU A 19 0.310 9.898 5.030 1.00 74.41 C ATOM 268 C LEU A 19 -0.861 9.052 5.398 1.00 22.15 C ATOM 269 O LEU A 19 -1.758 8.786 4.606 1.00 20.21 O ATOM 270 CB LEU A 19 1.591 9.036 5.263 1.00 15.24 C ATOM 271 CG LEU A 19 2.904 9.839 5.257 1.00 32.13 C ATOM 272 CD1 LEU A 19 4.108 8.966 5.633 1.00 33.44 C ATOM 273 CD2 LEU A 19 3.130 10.620 3.961 1.00 40.51 C ATOM 0 H LEU A 19 0.924 11.043 6.668 1.00 74.25 H new ATOM 0 HA LEU A 19 0.332 10.239 3.995 1.00 74.41 H new ATOM 0 HB2 LEU A 19 1.499 8.520 6.219 1.00 15.24 H new ATOM 0 HB3 LEU A 19 1.644 8.269 4.490 1.00 15.24 H new ATOM 0 HG LEU A 19 2.800 10.595 6.036 1.00 32.13 H new ATOM 0 HD11 LEU A 19 5.015 9.571 5.617 1.00 33.44 H new ATOM 0 HD12 LEU A 19 3.962 8.556 6.633 1.00 33.44 H new ATOM 0 HD13 LEU A 19 4.203 8.150 4.917 1.00 33.44 H new ATOM 0 HD21 LEU A 19 4.073 11.163 4.023 1.00 40.51 H new ATOM 0 HD22 LEU A 19 3.165 9.927 3.120 1.00 40.51 H new ATOM 0 HD23 LEU A 19 2.313 11.326 3.815 1.00 40.51 H new ATOM 285 N GLY A 20 -0.867 8.698 6.688 1.00 53.03 N ATOM 286 CA GLY A 20 -1.938 7.980 7.315 1.00 71.45 C ATOM 287 C GLY A 20 -2.119 6.636 6.688 1.00 42.22 C ATOM 288 O GLY A 20 -3.251 6.165 6.551 1.00 21.31 O ATOM 0 H GLY A 20 -0.100 8.917 7.324 1.00 53.03 H new ATOM 0 HA2 GLY A 20 -1.730 7.864 8.379 1.00 71.45 H new ATOM 0 HA3 GLY A 20 -2.862 8.552 7.232 1.00 71.45 H new ATOM 292 N ILE A 21 -1.013 5.975 6.303 1.00 1.15 N ATOM 293 CA ILE A 21 -1.097 4.653 5.748 1.00 24.30 C ATOM 294 C ILE A 21 -0.468 3.776 6.789 1.00 14.13 C ATOM 295 O ILE A 21 0.309 4.255 7.615 1.00 74.04 O ATOM 296 CB ILE A 21 -0.282 4.480 4.439 1.00 32.32 C ATOM 297 CG1 ILE A 21 -0.277 5.761 3.585 1.00 64.51 C ATOM 298 CG2 ILE A 21 -0.783 3.219 3.673 1.00 41.21 C ATOM 299 CD1 ILE A 21 -1.601 6.044 2.965 1.00 31.11 C ATOM 0 H ILE A 21 -0.067 6.349 6.373 1.00 1.15 H new ATOM 0 HA ILE A 21 -2.134 4.421 5.503 1.00 24.30 H new ATOM 0 HB ILE A 21 0.765 4.313 4.691 1.00 32.32 H new ATOM 0 HG12 ILE A 21 0.016 6.606 4.207 1.00 64.51 H new ATOM 0 HG13 ILE A 21 0.474 5.667 2.801 1.00 64.51 H new ATOM 0 HG21 ILE A 21 -0.209 3.100 2.754 1.00 41.21 H new ATOM 0 HG22 ILE A 21 -0.652 2.337 4.300 1.00 41.21 H new ATOM 0 HG23 ILE A 21 -1.839 3.337 3.429 1.00 41.21 H new ATOM 0 HD11 ILE A 21 -1.538 6.958 2.375 1.00 31.11 H new ATOM 0 HD12 ILE A 21 -1.885 5.214 2.319 1.00 31.11 H new ATOM 0 HD13 ILE A 21 -2.350 6.168 3.747 1.00 31.11 H new ATOM 311 N CYS A 22 -0.738 2.477 6.744 1.00 73.10 N ATOM 312 CA CYS A 22 0.058 1.559 7.490 1.00 3.23 C ATOM 313 C CYS A 22 -0.094 0.297 6.720 1.00 54.15 C ATOM 314 O CYS A 22 -0.970 0.201 5.854 1.00 2.13 O ATOM 315 CB CYS A 22 -0.475 1.327 8.935 1.00 43.13 C ATOM 316 SG CYS A 22 0.768 0.636 10.083 1.00 20.32 S ATOM 0 H CYS A 22 -1.494 2.057 6.203 1.00 73.10 H new ATOM 0 HA CYS A 22 1.080 1.920 7.606 1.00 3.23 H new ATOM 0 HB2 CYS A 22 -0.837 2.275 9.334 1.00 43.13 H new ATOM 0 HB3 CYS A 22 -1.330 0.652 8.892 1.00 43.13 H new ATOM 321 N VAL A 23 0.833 -0.643 6.889 1.00 53.03 N ATOM 322 CA VAL A 23 0.894 -1.765 6.012 1.00 2.42 C ATOM 323 C VAL A 23 1.264 -2.934 6.867 1.00 54.12 C ATOM 324 O VAL A 23 1.653 -2.767 8.025 1.00 31.45 O ATOM 325 CB VAL A 23 1.948 -1.599 4.906 1.00 33.42 C ATOM 326 CG1 VAL A 23 1.329 -0.762 3.764 1.00 14.11 C ATOM 327 CG2 VAL A 23 3.213 -0.946 5.505 1.00 11.51 C ATOM 0 H VAL A 23 1.539 -0.633 7.625 1.00 53.03 H new ATOM 0 HA VAL A 23 -0.065 -1.887 5.508 1.00 2.42 H new ATOM 0 HB VAL A 23 2.248 -2.561 4.492 1.00 33.42 H new ATOM 0 HG11 VAL A 23 2.063 -0.633 2.968 1.00 14.11 H new ATOM 0 HG12 VAL A 23 0.453 -1.276 3.370 1.00 14.11 H new ATOM 0 HG13 VAL A 23 1.034 0.215 4.147 1.00 14.11 H new ATOM 0 HG21 VAL A 23 3.965 -0.826 4.725 1.00 11.51 H new ATOM 0 HG22 VAL A 23 2.958 0.030 5.917 1.00 11.51 H new ATOM 0 HG23 VAL A 23 3.610 -1.581 6.297 1.00 11.51 H new ATOM 337 N THR A 24 1.114 -4.128 6.312 1.00 71.12 N ATOM 338 CA THR A 24 1.436 -5.343 6.989 1.00 60.11 C ATOM 339 C THR A 24 1.894 -6.249 5.872 1.00 74.24 C ATOM 340 O THR A 24 1.693 -5.920 4.717 1.00 11.24 O ATOM 341 CB THR A 24 0.222 -5.944 7.755 1.00 54.23 C ATOM 342 OG1 THR A 24 0.544 -7.169 8.426 1.00 3.35 O ATOM 343 CG2 THR A 24 -0.964 -6.165 6.786 1.00 35.11 C ATOM 0 H THR A 24 0.759 -4.265 5.366 1.00 71.12 H new ATOM 0 HA THR A 24 2.189 -5.198 7.763 1.00 60.11 H new ATOM 0 HB THR A 24 -0.059 -5.223 8.522 1.00 54.23 H new ATOM 0 HG1 THR A 24 -0.250 -7.505 8.893 1.00 3.35 H new ATOM 0 HG21 THR A 24 -1.807 -6.586 7.333 1.00 35.11 H new ATOM 0 HG22 THR A 24 -1.256 -5.212 6.346 1.00 35.11 H new ATOM 0 HG23 THR A 24 -0.665 -6.853 5.996 1.00 35.11 H new ATOM 351 N GLY A 25 2.541 -7.377 6.197 1.00 12.35 N ATOM 352 CA GLY A 25 3.018 -8.294 5.164 1.00 22.12 C ATOM 353 C GLY A 25 4.484 -8.432 5.337 1.00 74.35 C ATOM 354 O GLY A 25 5.041 -7.953 6.321 1.00 21.03 O ATOM 0 H GLY A 25 2.742 -7.670 7.153 1.00 12.35 H new ATOM 0 HA2 GLY A 25 2.528 -9.263 5.255 1.00 22.12 H new ATOM 0 HA3 GLY A 25 2.783 -7.910 4.171 1.00 22.12 H new ATOM 358 N GLY A 26 5.156 -9.103 4.380 1.00 24.31 N ATOM 359 CA GLY A 26 6.592 -9.166 4.397 1.00 30.54 C ATOM 360 C GLY A 26 7.024 -10.605 4.371 1.00 54.32 C ATOM 361 O GLY A 26 6.603 -11.377 3.517 1.00 25.43 O ATOM 0 H GLY A 26 4.715 -9.596 3.604 1.00 24.31 H new ATOM 0 HA2 GLY A 26 7.001 -8.635 3.537 1.00 30.54 H new ATOM 0 HA3 GLY A 26 6.979 -8.674 5.289 1.00 30.54 H new ATOM 365 N VAL A 27 7.915 -10.966 5.329 1.00 2.40 N ATOM 366 CA VAL A 27 8.690 -12.220 5.401 1.00 0.21 C ATOM 367 C VAL A 27 7.838 -13.482 5.632 1.00 34.42 C ATOM 368 O VAL A 27 8.363 -14.479 6.134 1.00 0.41 O ATOM 369 CB VAL A 27 9.769 -12.142 6.468 1.00 12.33 C ATOM 370 CG1 VAL A 27 10.823 -11.128 5.996 1.00 25.34 C ATOM 371 CG2 VAL A 27 9.114 -11.740 7.812 1.00 1.22 C ATOM 0 H VAL A 27 8.120 -10.350 6.116 1.00 2.40 H new ATOM 0 HA VAL A 27 9.142 -12.320 4.414 1.00 0.21 H new ATOM 0 HB VAL A 27 10.263 -13.101 6.624 1.00 12.33 H new ATOM 0 HG11 VAL A 27 11.613 -11.050 6.743 1.00 25.34 H new ATOM 0 HG12 VAL A 27 11.250 -11.461 5.050 1.00 25.34 H new ATOM 0 HG13 VAL A 27 10.355 -10.153 5.860 1.00 25.34 H new ATOM 0 HG21 VAL A 27 9.879 -11.681 8.586 1.00 1.22 H new ATOM 0 HG22 VAL A 27 8.630 -10.769 7.705 1.00 1.22 H new ATOM 0 HG23 VAL A 27 8.371 -12.487 8.092 1.00 1.22 H new ATOM 381 N ASN A 28 6.530 -13.430 5.352 1.00 2.35 N ATOM 382 CA ASN A 28 5.580 -14.532 5.658 1.00 20.13 C ATOM 383 C ASN A 28 5.139 -14.344 7.057 1.00 42.02 C ATOM 384 O ASN A 28 5.368 -15.155 7.947 1.00 73.33 O ATOM 385 CB ASN A 28 6.015 -16.020 5.422 1.00 31.12 C ATOM 386 CG ASN A 28 6.309 -16.232 3.933 1.00 45.34 C ATOM 387 OD1 ASN A 28 7.328 -15.766 3.418 1.00 23.25 O ATOM 388 ND2 ASN A 28 5.419 -16.942 3.213 1.00 64.42 N ATOM 0 H ASN A 28 6.090 -12.625 4.906 1.00 2.35 H new ATOM 0 HA ASN A 28 4.795 -14.430 4.909 1.00 20.13 H new ATOM 0 HB2 ASN A 28 6.900 -16.251 6.016 1.00 31.12 H new ATOM 0 HB3 ASN A 28 5.226 -16.698 5.749 1.00 31.12 H new ATOM 0 HD21 ASN A 28 5.581 -17.104 2.219 1.00 64.42 H new ATOM 0 HD22 ASN A 28 4.583 -17.317 3.662 1.00 64.42 H new ATOM 395 N THR A 29 4.468 -13.229 7.221 1.00 21.02 N ATOM 396 CA THR A 29 3.848 -12.854 8.444 1.00 53.12 C ATOM 397 C THR A 29 2.424 -13.364 8.316 1.00 61.23 C ATOM 398 O THR A 29 2.157 -14.200 7.466 1.00 1.45 O ATOM 399 CB THR A 29 3.917 -11.358 8.744 1.00 4.12 C ATOM 400 OG1 THR A 29 3.456 -11.059 10.068 1.00 12.13 O ATOM 401 CG2 THR A 29 3.112 -10.565 7.699 1.00 45.43 C ATOM 0 H THR A 29 4.342 -12.544 6.476 1.00 21.02 H new ATOM 0 HA THR A 29 4.369 -13.287 9.298 1.00 53.12 H new ATOM 0 HB THR A 29 4.963 -11.057 8.687 1.00 4.12 H new ATOM 0 HG1 THR A 29 3.516 -10.094 10.225 1.00 12.13 H new ATOM 0 HG21 THR A 29 3.170 -9.500 7.926 1.00 45.43 H new ATOM 0 HG22 THR A 29 3.524 -10.748 6.707 1.00 45.43 H new ATOM 0 HG23 THR A 29 2.070 -10.884 7.723 1.00 45.43 H new ATOM 409 N SER A 30 1.527 -12.906 9.202 1.00 23.44 N ATOM 410 CA SER A 30 0.128 -13.318 9.287 1.00 1.13 C ATOM 411 C SER A 30 -0.529 -13.538 7.907 1.00 14.32 C ATOM 412 O SER A 30 -1.333 -14.467 7.743 1.00 24.03 O ATOM 413 CB SER A 30 -0.697 -12.258 10.041 1.00 70.12 C ATOM 414 OG SER A 30 0.003 -11.853 11.230 1.00 71.34 O ATOM 0 H SER A 30 1.772 -12.210 9.906 1.00 23.44 H new ATOM 0 HA SER A 30 0.132 -14.270 9.819 1.00 1.13 H new ATOM 0 HB2 SER A 30 -0.872 -11.395 9.399 1.00 70.12 H new ATOM 0 HB3 SER A 30 -1.674 -12.663 10.303 1.00 70.12 H new ATOM 0 HG SER A 30 -0.524 -11.178 11.706 1.00 71.34 H new ATOM 420 N VAL A 31 -0.209 -12.683 6.893 1.00 2.23 N ATOM 421 CA VAL A 31 -0.825 -12.826 5.591 1.00 64.43 C ATOM 422 C VAL A 31 -0.009 -13.843 4.802 1.00 10.14 C ATOM 423 O VAL A 31 1.231 -13.803 4.783 1.00 74.53 O ATOM 424 CB VAL A 31 -0.953 -11.521 4.818 1.00 21.03 C ATOM 425 CG1 VAL A 31 -2.015 -10.655 5.534 1.00 71.42 C ATOM 426 CG2 VAL A 31 0.426 -10.824 4.735 1.00 11.01 C ATOM 0 H VAL A 31 0.457 -11.915 6.972 1.00 2.23 H new ATOM 0 HA VAL A 31 -1.851 -13.164 5.738 1.00 64.43 H new ATOM 0 HB VAL A 31 -1.276 -11.693 3.791 1.00 21.03 H new ATOM 0 HG11 VAL A 31 -2.131 -9.710 5.004 1.00 71.42 H new ATOM 0 HG12 VAL A 31 -2.968 -11.184 5.546 1.00 71.42 H new ATOM 0 HG13 VAL A 31 -1.695 -10.460 6.558 1.00 71.42 H new ATOM 0 HG21 VAL A 31 0.329 -9.890 4.181 1.00 11.01 H new ATOM 0 HG22 VAL A 31 0.788 -10.613 5.741 1.00 11.01 H new ATOM 0 HG23 VAL A 31 1.134 -11.477 4.224 1.00 11.01 H new ATOM 436 N ARG A 32 -0.722 -14.813 4.184 1.00 35.31 N ATOM 437 CA ARG A 32 -0.115 -16.003 3.588 1.00 13.42 C ATOM 438 C ARG A 32 0.868 -15.636 2.500 1.00 20.01 C ATOM 439 O ARG A 32 1.994 -16.125 2.487 1.00 45.13 O ATOM 440 CB ARG A 32 -1.156 -16.952 2.966 1.00 35.20 C ATOM 441 CG ARG A 32 -2.237 -17.410 3.951 1.00 24.53 C ATOM 442 CD ARG A 32 -3.273 -18.310 3.280 1.00 51.23 C ATOM 443 NE ARG A 32 -4.339 -18.668 4.269 1.00 62.13 N ATOM 444 CZ ARG A 32 -5.395 -19.472 3.889 1.00 75.14 C ATOM 445 NH1 ARG A 32 -5.482 -19.931 2.594 1.00 44.02 N ATOM 446 NH2 ARG A 32 -6.349 -19.811 4.799 1.00 34.21 N ATOM 0 H ARG A 32 -1.737 -14.782 4.090 1.00 35.31 H new ATOM 0 HA ARG A 32 0.391 -16.508 4.411 1.00 13.42 H new ATOM 0 HB2 ARG A 32 -1.633 -16.452 2.123 1.00 35.20 H new ATOM 0 HB3 ARG A 32 -0.644 -17.828 2.568 1.00 35.20 H new ATOM 0 HG2 ARG A 32 -1.771 -17.946 4.778 1.00 24.53 H new ATOM 0 HG3 ARG A 32 -2.734 -16.538 4.376 1.00 24.53 H new ATOM 0 HD2 ARG A 32 -3.713 -17.800 2.423 1.00 51.23 H new ATOM 0 HD3 ARG A 32 -2.795 -19.213 2.902 1.00 51.23 H new ATOM 0 HE ARG A 32 -4.285 -18.317 5.225 1.00 62.13 H new ATOM 0 HH11 ARG A 32 -4.766 -19.677 1.914 1.00 44.02 H new ATOM 0 HH12 ARG A 32 -6.263 -20.525 2.315 1.00 44.02 H new ATOM 0 HH21 ARG A 32 -6.282 -19.471 5.758 1.00 34.21 H new ATOM 0 HH22 ARG A 32 -7.130 -20.405 4.521 1.00 34.21 H new ATOM 460 N HIS A 33 0.453 -14.786 1.543 1.00 2.04 N ATOM 461 CA HIS A 33 1.298 -14.490 0.370 1.00 20.20 C ATOM 462 C HIS A 33 2.436 -13.580 0.778 1.00 61.11 C ATOM 463 O HIS A 33 3.305 -13.251 -0.034 1.00 30.41 O ATOM 464 CB HIS A 33 0.522 -13.780 -0.773 1.00 75.12 C ATOM 465 CG HIS A 33 1.340 -13.608 -2.033 1.00 54.35 C ATOM 466 ND1 HIS A 33 1.737 -14.671 -2.788 1.00 63.21 N ATOM 467 CD2 HIS A 33 1.845 -12.494 -2.612 1.00 25.11 C ATOM 468 CE1 HIS A 33 2.461 -14.217 -3.808 1.00 21.41 C ATOM 469 NE2 HIS A 33 2.540 -12.894 -3.714 1.00 53.13 N ATOM 0 H HIS A 33 -0.444 -14.300 1.556 1.00 2.04 H new ATOM 0 HA HIS A 33 1.657 -15.451 0.002 1.00 20.20 H new ATOM 0 HB2 HIS A 33 -0.375 -14.354 -1.006 1.00 75.12 H new ATOM 0 HB3 HIS A 33 0.192 -12.801 -0.426 1.00 75.12 H new ATOM 0 HD2 HIS A 33 1.721 -11.479 -2.266 1.00 25.11 H new ATOM 0 HE1 HIS A 33 2.909 -14.822 -4.582 1.00 21.41 H new ATOM 0 HE2 HIS A 33 3.038 -12.280 -4.359 1.00 53.13 H new ATOM 478 N GLY A 34 2.451 -13.144 2.060 1.00 3.23 N ATOM 479 CA GLY A 34 3.446 -12.194 2.557 1.00 51.41 C ATOM 480 C GLY A 34 3.341 -10.887 1.812 1.00 52.43 C ATOM 481 O GLY A 34 4.238 -10.063 1.885 1.00 74.21 O ATOM 0 H GLY A 34 1.776 -13.444 2.764 1.00 3.23 H new ATOM 0 HA2 GLY A 34 3.297 -12.025 3.623 1.00 51.41 H new ATOM 0 HA3 GLY A 34 4.447 -12.609 2.437 1.00 51.41 H new ATOM 485 N GLY A 35 2.233 -10.676 1.069 1.00 23.23 N ATOM 486 CA GLY A 35 2.088 -9.484 0.266 1.00 73.44 C ATOM 487 C GLY A 35 1.849 -8.351 1.185 1.00 12.42 C ATOM 488 O GLY A 35 1.372 -8.540 2.301 1.00 53.04 O ATOM 0 H GLY A 35 1.443 -11.320 1.021 1.00 23.23 H new ATOM 0 HA2 GLY A 35 2.985 -9.312 -0.329 1.00 73.44 H new ATOM 0 HA3 GLY A 35 1.258 -9.592 -0.433 1.00 73.44 H new ATOM 492 N ILE A 36 2.201 -7.140 0.745 1.00 25.24 N ATOM 493 CA ILE A 36 2.077 -5.995 1.582 1.00 73.44 C ATOM 494 C ILE A 36 0.626 -5.552 1.501 1.00 74.34 C ATOM 495 O ILE A 36 0.182 -5.067 0.477 1.00 21.24 O ATOM 496 CB ILE A 36 2.993 -4.849 1.144 1.00 11.30 C ATOM 497 CG1 ILE A 36 4.448 -5.359 0.885 1.00 33.05 C ATOM 498 CG2 ILE A 36 2.929 -3.731 2.196 1.00 53.45 C ATOM 499 CD1 ILE A 36 5.107 -6.051 2.095 1.00 11.23 C ATOM 0 H ILE A 36 2.571 -6.951 -0.187 1.00 25.24 H new ATOM 0 HA ILE A 36 2.373 -6.254 2.599 1.00 73.44 H new ATOM 0 HB ILE A 36 2.650 -4.439 0.194 1.00 11.30 H new ATOM 0 HG12 ILE A 36 4.431 -6.057 0.048 1.00 33.05 H new ATOM 0 HG13 ILE A 36 5.067 -4.514 0.584 1.00 33.05 H new ATOM 0 HG21 ILE A 36 3.578 -2.909 1.894 1.00 53.45 H new ATOM 0 HG22 ILE A 36 1.904 -3.371 2.282 1.00 53.45 H new ATOM 0 HG23 ILE A 36 3.259 -4.119 3.160 1.00 53.45 H new ATOM 0 HD11 ILE A 36 6.113 -6.373 1.827 1.00 11.23 H new ATOM 0 HD12 ILE A 36 5.160 -5.352 2.930 1.00 11.23 H new ATOM 0 HD13 ILE A 36 4.514 -6.918 2.385 1.00 11.23 H new ATOM 511 N TYR A 37 -0.148 -5.748 2.574 1.00 22.24 N ATOM 512 CA TYR A 37 -1.546 -5.361 2.555 1.00 71.42 C ATOM 513 C TYR A 37 -1.619 -4.050 3.221 1.00 43.43 C ATOM 514 O TYR A 37 -0.915 -3.807 4.199 1.00 30.24 O ATOM 515 CB TYR A 37 -2.510 -6.305 3.346 1.00 42.21 C ATOM 516 CG TYR A 37 -2.832 -7.520 2.516 1.00 41.32 C ATOM 517 CD1 TYR A 37 -1.908 -8.583 2.389 1.00 64.51 C ATOM 518 CD2 TYR A 37 -4.088 -7.627 1.866 1.00 65.44 C ATOM 519 CE1 TYR A 37 -2.227 -9.722 1.622 1.00 34.21 C ATOM 520 CE2 TYR A 37 -4.401 -8.758 1.095 1.00 53.01 C ATOM 521 CZ TYR A 37 -3.477 -9.809 0.978 1.00 63.51 C ATOM 522 OH TYR A 37 -3.814 -10.944 0.222 1.00 3.04 O ATOM 0 H TYR A 37 0.171 -6.166 3.448 1.00 22.24 H new ATOM 0 HA TYR A 37 -1.865 -5.383 1.513 1.00 71.42 H new ATOM 0 HB2 TYR A 37 -2.047 -6.608 4.285 1.00 42.21 H new ATOM 0 HB3 TYR A 37 -3.427 -5.773 3.599 1.00 42.21 H new ATOM 0 HD1 TYR A 37 -0.950 -8.522 2.884 1.00 64.51 H new ATOM 0 HD2 TYR A 37 -4.811 -6.831 1.965 1.00 65.44 H new ATOM 0 HE1 TYR A 37 -1.514 -10.527 1.528 1.00 34.21 H new ATOM 0 HE2 TYR A 37 -5.354 -8.820 0.591 1.00 53.01 H new ATOM 0 HH TYR A 37 -4.714 -10.834 -0.150 1.00 3.04 H new ATOM 532 N VAL A 38 -2.507 -3.157 2.720 1.00 74.34 N ATOM 533 CA VAL A 38 -2.818 -1.950 3.424 1.00 42.30 C ATOM 534 C VAL A 38 -3.525 -2.384 4.689 1.00 32.50 C ATOM 535 O VAL A 38 -4.450 -3.210 4.658 1.00 63.45 O ATOM 536 CB VAL A 38 -3.709 -1.009 2.628 1.00 31.11 C ATOM 537 CG1 VAL A 38 -4.010 0.244 3.456 1.00 12.21 C ATOM 538 CG2 VAL A 38 -2.993 -0.681 1.292 1.00 33.52 C ATOM 0 H VAL A 38 -3.002 -3.274 1.836 1.00 74.34 H new ATOM 0 HA VAL A 38 -1.903 -1.390 3.620 1.00 42.30 H new ATOM 0 HB VAL A 38 -4.669 -1.472 2.400 1.00 31.11 H new ATOM 0 HG11 VAL A 38 -4.649 0.915 2.881 1.00 12.21 H new ATOM 0 HG12 VAL A 38 -4.519 -0.042 4.376 1.00 12.21 H new ATOM 0 HG13 VAL A 38 -3.077 0.752 3.700 1.00 12.21 H new ATOM 0 HG21 VAL A 38 -3.614 -0.006 0.703 1.00 33.52 H new ATOM 0 HG22 VAL A 38 -2.035 -0.204 1.500 1.00 33.52 H new ATOM 0 HG23 VAL A 38 -2.826 -1.602 0.733 1.00 33.52 H new ATOM 548 N LYS A 39 -3.019 -1.906 5.824 1.00 21.34 N ATOM 549 CA LYS A 39 -3.418 -2.418 7.102 1.00 63.01 C ATOM 550 C LYS A 39 -4.417 -1.479 7.662 1.00 75.51 C ATOM 551 O LYS A 39 -5.466 -1.885 8.143 1.00 3.42 O ATOM 552 CB LYS A 39 -2.223 -2.450 8.081 1.00 10.35 C ATOM 553 CG LYS A 39 -2.551 -3.019 9.475 1.00 3.11 C ATOM 554 CD LYS A 39 -1.393 -2.877 10.473 1.00 44.54 C ATOM 555 CE LYS A 39 -1.805 -3.156 11.932 1.00 51.11 C ATOM 556 NZ LYS A 39 -2.151 -4.577 12.136 1.00 35.10 N ATOM 0 H LYS A 39 -2.327 -1.158 5.868 1.00 21.34 H new ATOM 0 HA LYS A 39 -3.810 -3.427 6.977 1.00 63.01 H new ATOM 0 HB2 LYS A 39 -1.424 -3.045 7.639 1.00 10.35 H new ATOM 0 HB3 LYS A 39 -1.839 -1.437 8.198 1.00 10.35 H new ATOM 0 HG2 LYS A 39 -3.429 -2.509 9.872 1.00 3.11 H new ATOM 0 HG3 LYS A 39 -2.812 -4.073 9.378 1.00 3.11 H new ATOM 0 HD2 LYS A 39 -0.594 -3.563 10.191 1.00 44.54 H new ATOM 0 HD3 LYS A 39 -0.986 -1.868 10.405 1.00 44.54 H new ATOM 0 HE2 LYS A 39 -0.989 -2.880 12.600 1.00 51.11 H new ATOM 0 HE3 LYS A 39 -2.659 -2.531 12.196 1.00 51.11 H new ATOM 0 HZ1 LYS A 39 -2.423 -4.729 13.128 1.00 35.10 H new ATOM 0 HZ2 LYS A 39 -2.945 -4.833 11.516 1.00 35.10 H new ATOM 0 HZ3 LYS A 39 -1.328 -5.171 11.908 1.00 35.10 H new ATOM 570 N ALA A 40 -4.073 -0.201 7.643 1.00 0.44 N ATOM 571 CA ALA A 40 -4.861 0.774 8.315 1.00 11.21 C ATOM 572 C ALA A 40 -4.837 1.963 7.471 1.00 54.24 C ATOM 573 O ALA A 40 -3.851 2.211 6.769 1.00 54.11 O ATOM 574 CB ALA A 40 -4.313 1.182 9.701 1.00 21.44 C ATOM 0 H ALA A 40 -3.251 0.168 7.165 1.00 0.44 H new ATOM 0 HA ALA A 40 -5.852 0.352 8.480 1.00 11.21 H new ATOM 0 HB1 ALA A 40 -4.970 1.928 10.147 1.00 21.44 H new ATOM 0 HB2 ALA A 40 -4.268 0.305 10.347 1.00 21.44 H new ATOM 0 HB3 ALA A 40 -3.313 1.601 9.588 1.00 21.44 H new ATOM 580 N VAL A 41 -5.926 2.730 7.515 1.00 21.40 N ATOM 581 CA VAL A 41 -5.980 3.975 6.842 1.00 55.12 C ATOM 582 C VAL A 41 -6.442 4.940 7.890 1.00 71.15 C ATOM 583 O VAL A 41 -7.506 4.752 8.502 1.00 35.22 O ATOM 584 CB VAL A 41 -6.964 4.002 5.672 1.00 40.31 C ATOM 585 CG1 VAL A 41 -6.895 5.388 4.984 1.00 24.40 C ATOM 586 CG2 VAL A 41 -6.602 2.846 4.714 1.00 44.34 C ATOM 0 H VAL A 41 -6.777 2.485 8.021 1.00 21.40 H new ATOM 0 HA VAL A 41 -5.008 4.206 6.406 1.00 55.12 H new ATOM 0 HB VAL A 41 -7.992 3.859 6.005 1.00 40.31 H new ATOM 0 HG11 VAL A 41 -7.594 5.415 4.148 1.00 24.40 H new ATOM 0 HG12 VAL A 41 -7.158 6.164 5.702 1.00 24.40 H new ATOM 0 HG13 VAL A 41 -5.884 5.562 4.616 1.00 24.40 H new ATOM 0 HG21 VAL A 41 -7.291 2.844 3.869 1.00 44.34 H new ATOM 0 HG22 VAL A 41 -5.583 2.980 4.351 1.00 44.34 H new ATOM 0 HG23 VAL A 41 -6.676 1.897 5.245 1.00 44.34 H new ATOM 596 N ILE A 42 -5.637 5.975 8.142 1.00 44.41 N ATOM 597 CA ILE A 42 -6.011 7.003 9.090 1.00 52.41 C ATOM 598 C ILE A 42 -7.049 7.849 8.372 1.00 61.13 C ATOM 599 O ILE A 42 -6.902 8.124 7.175 1.00 62.53 O ATOM 600 CB ILE A 42 -4.863 7.850 9.509 1.00 64.30 C ATOM 601 CG1 ILE A 42 -3.787 6.948 10.123 1.00 44.43 C ATOM 602 CG2 ILE A 42 -5.326 8.958 10.501 1.00 5.42 C ATOM 603 CD1 ILE A 42 -2.706 7.772 10.707 1.00 73.30 C ATOM 0 H ILE A 42 -4.728 6.115 7.700 1.00 44.41 H new ATOM 0 HA ILE A 42 -6.388 6.551 10.008 1.00 52.41 H new ATOM 0 HB ILE A 42 -4.442 8.362 8.643 1.00 64.30 H new ATOM 0 HG12 ILE A 42 -4.228 6.314 10.892 1.00 44.43 H new ATOM 0 HG13 ILE A 42 -3.378 6.285 9.360 1.00 44.43 H new ATOM 0 HG21 ILE A 42 -4.469 9.565 10.794 1.00 5.42 H new ATOM 0 HG22 ILE A 42 -6.071 9.590 10.018 1.00 5.42 H new ATOM 0 HG23 ILE A 42 -5.762 8.495 11.386 1.00 5.42 H new ATOM 0 HD11 ILE A 42 -1.947 7.121 11.141 1.00 73.30 H new ATOM 0 HD12 ILE A 42 -2.255 8.387 9.928 1.00 73.30 H new ATOM 0 HD13 ILE A 42 -3.119 8.416 11.484 1.00 73.30 H new ATOM 615 N PRO A 43 -8.127 8.248 9.082 1.00 2.41 N ATOM 616 CA PRO A 43 -9.156 9.088 8.511 1.00 30.24 C ATOM 617 C PRO A 43 -8.529 10.361 7.984 1.00 5.43 C ATOM 618 O PRO A 43 -7.746 11.008 8.702 1.00 73.05 O ATOM 619 CB PRO A 43 -10.161 9.344 9.661 1.00 72.53 C ATOM 620 CG PRO A 43 -9.387 8.969 10.947 1.00 41.45 C ATOM 621 CD PRO A 43 -8.422 7.878 10.474 1.00 44.34 C ATOM 0 HA PRO A 43 -9.668 8.632 7.664 1.00 30.24 H new ATOM 0 HB2 PRO A 43 -10.483 10.385 9.682 1.00 72.53 H new ATOM 0 HB3 PRO A 43 -11.058 8.735 9.546 1.00 72.53 H new ATOM 0 HG2 PRO A 43 -8.854 9.826 11.360 1.00 41.45 H new ATOM 0 HG3 PRO A 43 -10.056 8.604 11.727 1.00 41.45 H new ATOM 0 HD2 PRO A 43 -7.517 7.854 11.081 1.00 44.34 H new ATOM 0 HD3 PRO A 43 -8.875 6.889 10.537 1.00 44.34 H new ATOM 629 N GLN A 44 -8.857 10.679 6.727 1.00 41.31 N ATOM 630 CA GLN A 44 -8.385 11.843 6.019 1.00 52.10 C ATOM 631 C GLN A 44 -6.887 11.793 5.815 1.00 22.22 C ATOM 632 O GLN A 44 -6.271 12.820 5.567 1.00 3.11 O ATOM 633 CB GLN A 44 -8.785 13.196 6.648 1.00 31.33 C ATOM 634 CG GLN A 44 -10.301 13.323 6.891 1.00 54.15 C ATOM 635 CD GLN A 44 -10.588 14.728 7.390 1.00 63.40 C ATOM 636 OE1 GLN A 44 -11.256 15.503 6.724 1.00 32.03 O ATOM 637 NE2 GLN A 44 -10.073 15.073 8.571 1.00 23.21 N ATOM 0 H GLN A 44 -9.483 10.102 6.166 1.00 41.31 H new ATOM 0 HA GLN A 44 -8.894 11.798 5.056 1.00 52.10 H new ATOM 0 HB2 GLN A 44 -8.259 13.320 7.595 1.00 31.33 H new ATOM 0 HB3 GLN A 44 -8.459 14.005 5.994 1.00 31.33 H new ATOM 0 HG2 GLN A 44 -10.851 13.127 5.970 1.00 54.15 H new ATOM 0 HG3 GLN A 44 -10.631 12.585 7.622 1.00 54.15 H new ATOM 0 HE21 GLN A 44 -9.519 14.401 9.102 1.00 23.21 H new ATOM 0 HE22 GLN A 44 -10.233 16.009 8.943 1.00 23.21 H new ATOM 646 N GLY A 45 -6.262 10.585 5.859 1.00 31.54 N ATOM 647 CA GLY A 45 -4.878 10.470 5.443 1.00 63.11 C ATOM 648 C GLY A 45 -4.852 10.596 3.942 1.00 5.53 C ATOM 649 O GLY A 45 -5.903 10.678 3.292 1.00 74.44 O ATOM 0 H GLY A 45 -6.696 9.716 6.171 1.00 31.54 H new ATOM 0 HA2 GLY A 45 -4.271 11.249 5.905 1.00 63.11 H new ATOM 0 HA3 GLY A 45 -4.460 9.513 5.756 1.00 63.11 H new ATOM 653 N ALA A 46 -3.634 10.600 3.354 1.00 22.34 N ATOM 654 CA ALA A 46 -3.444 10.870 1.927 1.00 61.41 C ATOM 655 C ALA A 46 -4.197 9.838 1.120 1.00 61.41 C ATOM 656 O ALA A 46 -4.736 10.145 0.061 1.00 23.21 O ATOM 657 CB ALA A 46 -1.948 10.831 1.490 1.00 50.42 C ATOM 0 H ALA A 46 -2.767 10.417 3.859 1.00 22.34 H new ATOM 0 HA ALA A 46 -3.818 11.878 1.746 1.00 61.41 H new ATOM 0 HB1 ALA A 46 -1.875 11.039 0.422 1.00 50.42 H new ATOM 0 HB2 ALA A 46 -1.387 11.583 2.045 1.00 50.42 H new ATOM 0 HB3 ALA A 46 -1.534 9.844 1.696 1.00 50.42 H new ATOM 663 N ALA A 47 -4.260 8.584 1.629 1.00 54.54 N ATOM 664 CA ALA A 47 -4.932 7.501 0.913 1.00 21.01 C ATOM 665 C ALA A 47 -6.413 7.771 0.882 1.00 35.22 C ATOM 666 O ALA A 47 -7.031 7.693 -0.163 1.00 44.23 O ATOM 667 CB ALA A 47 -4.743 6.117 1.570 1.00 42.13 C ATOM 0 H ALA A 47 -3.855 8.311 2.524 1.00 54.54 H new ATOM 0 HA ALA A 47 -4.486 7.475 -0.081 1.00 21.01 H new ATOM 0 HB1 ALA A 47 -5.268 5.362 0.985 1.00 42.13 H new ATOM 0 HB2 ALA A 47 -3.681 5.874 1.607 1.00 42.13 H new ATOM 0 HB3 ALA A 47 -5.146 6.137 2.583 1.00 42.13 H new ATOM 673 N GLU A 48 -7.019 8.084 2.057 1.00 1.52 N ATOM 674 CA GLU A 48 -8.479 8.206 2.136 1.00 64.11 C ATOM 675 C GLU A 48 -8.929 9.404 1.334 1.00 21.34 C ATOM 676 O GLU A 48 -9.973 9.358 0.669 1.00 61.21 O ATOM 677 CB GLU A 48 -9.046 8.346 3.572 1.00 25.42 C ATOM 678 CG GLU A 48 -10.581 8.178 3.606 1.00 63.32 C ATOM 679 CD GLU A 48 -11.066 8.347 5.017 1.00 62.45 C ATOM 680 OE1 GLU A 48 -10.902 9.445 5.565 1.00 14.14 O ATOM 681 OE2 GLU A 48 -11.643 7.398 5.576 1.00 63.55 O ATOM 0 H GLU A 48 -6.526 8.250 2.934 1.00 1.52 H new ATOM 0 HA GLU A 48 -8.867 7.269 1.736 1.00 64.11 H new ATOM 0 HB2 GLU A 48 -8.585 7.599 4.218 1.00 25.42 H new ATOM 0 HB3 GLU A 48 -8.779 9.324 3.974 1.00 25.42 H new ATOM 0 HG2 GLU A 48 -11.054 8.914 2.956 1.00 63.32 H new ATOM 0 HG3 GLU A 48 -10.859 7.194 3.229 1.00 63.32 H new ATOM 688 N SER A 49 -8.128 10.497 1.362 1.00 35.21 N ATOM 689 CA SER A 49 -8.459 11.701 0.617 1.00 73.52 C ATOM 690 C SER A 49 -8.405 11.381 -0.858 1.00 35.24 C ATOM 691 O SER A 49 -9.234 11.844 -1.644 1.00 31.51 O ATOM 692 CB SER A 49 -7.469 12.857 0.905 1.00 64.14 C ATOM 693 OG SER A 49 -7.524 13.209 2.297 1.00 72.33 O ATOM 0 H SER A 49 -7.259 10.554 1.893 1.00 35.21 H new ATOM 0 HA SER A 49 -9.454 12.025 0.924 1.00 73.52 H new ATOM 0 HB2 SER A 49 -6.456 12.556 0.636 1.00 64.14 H new ATOM 0 HB3 SER A 49 -7.718 13.723 0.291 1.00 64.14 H new ATOM 0 HG SER A 49 -7.046 12.535 2.824 1.00 72.33 H new ATOM 699 N ASP A 50 -7.423 10.544 -1.246 1.00 12.30 N ATOM 700 CA ASP A 50 -7.262 10.158 -2.641 1.00 44.15 C ATOM 701 C ASP A 50 -8.432 9.283 -3.028 1.00 55.04 C ATOM 702 O ASP A 50 -8.952 9.368 -4.128 1.00 33.20 O ATOM 703 CB ASP A 50 -5.977 9.359 -2.914 1.00 21.20 C ATOM 704 CG ASP A 50 -5.753 9.372 -4.398 1.00 1.02 C ATOM 705 OD1 ASP A 50 -5.462 10.453 -4.942 1.00 43.14 O ATOM 706 OD2 ASP A 50 -5.870 8.326 -5.035 1.00 21.10 O ATOM 0 H ASP A 50 -6.740 10.131 -0.611 1.00 12.30 H new ATOM 0 HA ASP A 50 -7.208 11.080 -3.221 1.00 44.15 H new ATOM 0 HB2 ASP A 50 -5.129 9.804 -2.393 1.00 21.20 H new ATOM 0 HB3 ASP A 50 -6.075 8.337 -2.549 1.00 21.20 H new ATOM 711 N GLY A 51 -8.877 8.436 -2.091 1.00 31.33 N ATOM 712 CA GLY A 51 -10.076 7.627 -2.280 1.00 12.22 C ATOM 713 C GLY A 51 -9.761 6.372 -3.046 1.00 13.33 C ATOM 714 O GLY A 51 -10.518 5.406 -2.995 1.00 2.42 O ATOM 0 H GLY A 51 -8.418 8.297 -1.191 1.00 31.33 H new ATOM 0 HA2 GLY A 51 -10.502 7.369 -1.310 1.00 12.22 H new ATOM 0 HA3 GLY A 51 -10.829 8.205 -2.815 1.00 12.22 H new ATOM 718 N ARG A 52 -8.656 6.357 -3.804 1.00 43.31 N ATOM 719 CA ARG A 52 -8.352 5.216 -4.638 1.00 1.24 C ATOM 720 C ARG A 52 -7.848 4.110 -3.768 1.00 14.15 C ATOM 721 O ARG A 52 -8.207 2.952 -3.967 1.00 34.22 O ATOM 722 CB ARG A 52 -7.298 5.514 -5.712 1.00 64.51 C ATOM 723 CG ARG A 52 -7.797 6.525 -6.745 1.00 4.54 C ATOM 724 CD ARG A 52 -6.746 6.877 -7.802 1.00 43.42 C ATOM 725 NE ARG A 52 -7.367 7.831 -8.784 1.00 24.22 N ATOM 726 CZ ARG A 52 -7.415 9.193 -8.548 1.00 52.14 C ATOM 727 NH1 ARG A 52 -6.968 9.704 -7.365 1.00 10.42 N ATOM 728 NH2 ARG A 52 -7.922 10.029 -9.505 1.00 72.55 N ATOM 0 H ARG A 52 -7.975 7.115 -3.848 1.00 43.31 H new ATOM 0 HA ARG A 52 -9.271 4.941 -5.156 1.00 1.24 H new ATOM 0 HB2 ARG A 52 -6.396 5.898 -5.236 1.00 64.51 H new ATOM 0 HB3 ARG A 52 -7.023 4.587 -6.216 1.00 64.51 H new ATOM 0 HG2 ARG A 52 -8.680 6.122 -7.241 1.00 4.54 H new ATOM 0 HG3 ARG A 52 -8.106 7.436 -6.232 1.00 4.54 H new ATOM 0 HD2 ARG A 52 -5.872 7.330 -7.333 1.00 43.42 H new ATOM 0 HD3 ARG A 52 -6.403 5.977 -8.312 1.00 43.42 H new ATOM 0 HE ARG A 52 -7.764 7.464 -9.649 1.00 24.22 H new ATOM 0 HH11 ARG A 52 -6.596 9.081 -6.648 1.00 10.42 H new ATOM 0 HH12 ARG A 52 -7.006 10.709 -7.197 1.00 10.42 H new ATOM 0 HH21 ARG A 52 -8.262 9.647 -10.387 1.00 72.55 H new ATOM 0 HH22 ARG A 52 -7.960 11.034 -9.336 1.00 72.55 H new ATOM 742 N ILE A 53 -7.010 4.440 -2.784 1.00 42.24 N ATOM 743 CA ILE A 53 -6.448 3.430 -1.926 1.00 1.42 C ATOM 744 C ILE A 53 -7.305 3.411 -0.682 1.00 63.33 C ATOM 745 O ILE A 53 -7.562 4.456 -0.083 1.00 23.41 O ATOM 746 CB ILE A 53 -5.001 3.729 -1.549 1.00 4.11 C ATOM 747 CG1 ILE A 53 -4.174 3.975 -2.837 1.00 52.14 C ATOM 748 CG2 ILE A 53 -4.448 2.564 -0.684 1.00 21.41 C ATOM 749 CD1 ILE A 53 -2.703 4.281 -2.580 1.00 52.13 C ATOM 0 H ILE A 53 -6.716 5.394 -2.573 1.00 42.24 H new ATOM 0 HA ILE A 53 -6.438 2.469 -2.441 1.00 1.42 H new ATOM 0 HB ILE A 53 -4.933 4.636 -0.949 1.00 4.11 H new ATOM 0 HG12 ILE A 53 -4.245 3.095 -3.476 1.00 52.14 H new ATOM 0 HG13 ILE A 53 -4.616 4.805 -3.388 1.00 52.14 H new ATOM 0 HG21 ILE A 53 -3.413 2.772 -0.411 1.00 21.41 H new ATOM 0 HG22 ILE A 53 -5.049 2.465 0.220 1.00 21.41 H new ATOM 0 HG23 ILE A 53 -4.493 1.635 -1.253 1.00 21.41 H new ATOM 0 HD11 ILE A 53 -2.193 4.441 -3.530 1.00 52.13 H new ATOM 0 HD12 ILE A 53 -2.620 5.179 -1.968 1.00 52.13 H new ATOM 0 HD13 ILE A 53 -2.243 3.442 -2.058 1.00 52.13 H new ATOM 761 N HIS A 54 -7.789 2.220 -0.295 1.00 71.34 N ATOM 762 CA HIS A 54 -8.565 2.075 0.913 1.00 64.10 C ATOM 763 C HIS A 54 -7.966 0.921 1.639 1.00 72.22 C ATOM 764 O HIS A 54 -7.041 0.275 1.156 1.00 4.32 O ATOM 765 CB HIS A 54 -10.064 1.724 0.661 1.00 5.15 C ATOM 766 CG HIS A 54 -10.909 2.912 0.311 1.00 32.22 C ATOM 767 ND1 HIS A 54 -11.207 3.884 1.226 1.00 31.12 N ATOM 768 CD2 HIS A 54 -11.541 3.230 -0.829 1.00 70.30 C ATOM 769 CE1 HIS A 54 -12.002 4.777 0.651 1.00 61.54 C ATOM 770 NE2 HIS A 54 -12.222 4.395 -0.603 1.00 71.32 N ATOM 0 H HIS A 54 -7.648 1.352 -0.812 1.00 71.34 H new ATOM 0 HA HIS A 54 -8.543 3.022 1.451 1.00 64.10 H new ATOM 0 HB2 HIS A 54 -10.127 0.994 -0.146 1.00 5.15 H new ATOM 0 HB3 HIS A 54 -10.472 1.249 1.553 1.00 5.15 H new ATOM 0 HD2 HIS A 54 -11.517 2.671 -1.753 1.00 70.30 H new ATOM 0 HE1 HIS A 54 -12.402 5.663 1.121 1.00 61.54 H new ATOM 0 HE2 HIS A 54 -12.801 4.888 -1.283 1.00 71.32 H new ATOM 779 N LYS A 55 -8.501 0.628 2.840 1.00 64.51 N ATOM 780 CA LYS A 55 -8.143 -0.570 3.564 1.00 2.14 C ATOM 781 C LYS A 55 -8.683 -1.715 2.746 1.00 63.32 C ATOM 782 O LYS A 55 -9.725 -1.580 2.119 1.00 33.30 O ATOM 783 CB LYS A 55 -8.802 -0.642 4.959 1.00 51.12 C ATOM 784 CG LYS A 55 -8.337 -1.810 5.832 1.00 21.04 C ATOM 785 CD LYS A 55 -9.272 -2.050 7.015 1.00 31.34 C ATOM 786 CE LYS A 55 -8.799 -3.153 7.966 1.00 13.30 C ATOM 787 NZ LYS A 55 -8.560 -4.409 7.232 1.00 73.22 N ATOM 0 H LYS A 55 -9.183 1.218 3.316 1.00 64.51 H new ATOM 0 HA LYS A 55 -7.063 -0.594 3.711 1.00 2.14 H new ATOM 0 HB2 LYS A 55 -8.602 0.290 5.488 1.00 51.12 H new ATOM 0 HB3 LYS A 55 -9.882 -0.710 4.831 1.00 51.12 H new ATOM 0 HG2 LYS A 55 -8.280 -2.714 5.226 1.00 21.04 H new ATOM 0 HG3 LYS A 55 -7.331 -1.609 6.200 1.00 21.04 H new ATOM 0 HD2 LYS A 55 -9.378 -1.121 7.576 1.00 31.34 H new ATOM 0 HD3 LYS A 55 -10.261 -2.309 6.637 1.00 31.34 H new ATOM 0 HE2 LYS A 55 -7.883 -2.839 8.467 1.00 13.30 H new ATOM 0 HE3 LYS A 55 -9.547 -3.316 8.742 1.00 13.30 H new ATOM 0 HZ1 LYS A 55 -8.389 -5.180 7.909 1.00 73.22 H new ATOM 0 HZ2 LYS A 55 -9.393 -4.636 6.652 1.00 73.22 H new ATOM 0 HZ3 LYS A 55 -7.729 -4.299 6.616 1.00 73.22 H new ATOM 801 N GLY A 56 -7.993 -2.862 2.707 1.00 15.41 N ATOM 802 CA GLY A 56 -8.511 -3.989 1.954 1.00 45.01 C ATOM 803 C GLY A 56 -7.796 -4.016 0.643 1.00 35.40 C ATOM 804 O GLY A 56 -7.788 -5.027 -0.058 1.00 15.11 O ATOM 0 H GLY A 56 -7.102 -3.024 3.176 1.00 15.41 H new ATOM 0 HA2 GLY A 56 -8.351 -4.920 2.498 1.00 45.01 H new ATOM 0 HA3 GLY A 56 -9.586 -3.889 1.803 1.00 45.01 H new ATOM 808 N ASP A 57 -7.152 -2.891 0.280 1.00 34.43 N ATOM 809 CA ASP A 57 -6.323 -2.857 -0.904 1.00 2.52 C ATOM 810 C ASP A 57 -5.006 -3.364 -0.472 1.00 14.34 C ATOM 811 O ASP A 57 -4.698 -3.365 0.724 1.00 44.10 O ATOM 812 CB ASP A 57 -6.127 -1.436 -1.502 1.00 15.21 C ATOM 813 CG ASP A 57 -7.391 -1.065 -2.273 1.00 11.20 C ATOM 814 OD1 ASP A 57 -7.859 -1.890 -3.107 1.00 54.42 O ATOM 815 OD2 ASP A 57 -7.931 0.037 -2.054 1.00 13.34 O ATOM 0 H ASP A 57 -7.199 -2.011 0.794 1.00 34.43 H new ATOM 0 HA ASP A 57 -6.802 -3.446 -1.686 1.00 2.52 H new ATOM 0 HB2 ASP A 57 -5.939 -0.712 -0.709 1.00 15.21 H new ATOM 0 HB3 ASP A 57 -5.260 -1.418 -2.162 1.00 15.21 H new ATOM 820 N ARG A 58 -4.192 -3.850 -1.407 1.00 54.32 N ATOM 821 CA ARG A 58 -2.905 -4.319 -1.033 1.00 33.44 C ATOM 822 C ARG A 58 -1.957 -3.829 -2.044 1.00 50.50 C ATOM 823 O ARG A 58 -2.322 -3.592 -3.186 1.00 43.51 O ATOM 824 CB ARG A 58 -2.790 -5.862 -0.837 1.00 2.44 C ATOM 825 CG ARG A 58 -3.348 -6.769 -1.959 1.00 74.44 C ATOM 826 CD ARG A 58 -2.494 -6.842 -3.228 1.00 62.33 C ATOM 827 NE ARG A 58 -1.046 -6.930 -2.820 1.00 21.00 N ATOM 828 CZ ARG A 58 -0.160 -7.824 -3.374 1.00 60.53 C ATOM 829 NH1 ARG A 58 -0.546 -8.717 -4.341 1.00 35.13 N ATOM 830 NH2 ARG A 58 1.121 -7.814 -2.937 1.00 51.25 N ATOM 0 H ARG A 58 -4.414 -3.919 -2.400 1.00 54.32 H new ATOM 0 HA ARG A 58 -2.679 -3.928 -0.041 1.00 33.44 H new ATOM 0 HB2 ARG A 58 -1.736 -6.106 -0.700 1.00 2.44 H new ATOM 0 HB3 ARG A 58 -3.300 -6.122 0.090 1.00 2.44 H new ATOM 0 HG2 ARG A 58 -3.467 -7.777 -1.563 1.00 74.44 H new ATOM 0 HG3 ARG A 58 -4.342 -6.414 -2.230 1.00 74.44 H new ATOM 0 HD2 ARG A 58 -2.774 -7.710 -3.824 1.00 62.33 H new ATOM 0 HD3 ARG A 58 -2.661 -5.962 -3.849 1.00 62.33 H new ATOM 0 HE ARG A 58 -0.706 -6.295 -2.097 1.00 21.00 H new ATOM 0 HH11 ARG A 58 -1.512 -8.729 -4.667 1.00 35.13 H new ATOM 0 HH12 ARG A 58 0.133 -9.369 -4.734 1.00 35.13 H new ATOM 0 HH21 ARG A 58 1.408 -7.154 -2.214 1.00 51.25 H new ATOM 0 HH22 ARG A 58 1.799 -8.466 -3.331 1.00 51.25 H new ATOM 844 N VAL A 59 -0.719 -3.617 -1.619 1.00 32.30 N ATOM 845 CA VAL A 59 0.274 -3.029 -2.438 1.00 20.25 C ATOM 846 C VAL A 59 1.162 -4.167 -2.839 1.00 51.05 C ATOM 847 O VAL A 59 1.354 -5.118 -2.068 1.00 31.44 O ATOM 848 CB VAL A 59 1.107 -1.986 -1.675 1.00 44.35 C ATOM 849 CG1 VAL A 59 1.979 -1.186 -2.668 1.00 53.24 C ATOM 850 CG2 VAL A 59 0.138 -1.079 -0.876 1.00 21.31 C ATOM 0 H VAL A 59 -0.395 -3.859 -0.682 1.00 32.30 H new ATOM 0 HA VAL A 59 -0.179 -2.509 -3.282 1.00 20.25 H new ATOM 0 HB VAL A 59 1.787 -2.466 -0.971 1.00 44.35 H new ATOM 0 HG11 VAL A 59 2.567 -0.448 -2.123 1.00 53.24 H new ATOM 0 HG12 VAL A 59 2.648 -1.866 -3.195 1.00 53.24 H new ATOM 0 HG13 VAL A 59 1.338 -0.678 -3.388 1.00 53.24 H new ATOM 0 HG21 VAL A 59 0.710 -0.331 -0.327 1.00 21.31 H new ATOM 0 HG22 VAL A 59 -0.545 -0.581 -1.564 1.00 21.31 H new ATOM 0 HG23 VAL A 59 -0.434 -1.686 -0.174 1.00 21.31 H new ATOM 860 N LEU A 60 1.697 -4.117 -4.047 1.00 1.44 N ATOM 861 CA LEU A 60 2.670 -5.095 -4.442 1.00 65.21 C ATOM 862 C LEU A 60 3.950 -4.372 -4.588 1.00 15.23 C ATOM 863 O LEU A 60 4.962 -4.808 -4.062 1.00 5.22 O ATOM 864 CB LEU A 60 2.371 -5.893 -5.746 1.00 21.24 C ATOM 865 CG LEU A 60 1.675 -5.131 -6.873 1.00 71.22 C ATOM 866 CD1 LEU A 60 1.956 -5.764 -8.222 1.00 24.31 C ATOM 867 CD2 LEU A 60 0.179 -5.015 -6.642 1.00 15.43 C ATOM 0 H LEU A 60 1.472 -3.417 -4.755 1.00 1.44 H new ATOM 0 HA LEU A 60 2.674 -5.865 -3.670 1.00 65.21 H new ATOM 0 HB2 LEU A 60 3.314 -6.282 -6.130 1.00 21.24 H new ATOM 0 HB3 LEU A 60 1.754 -6.753 -5.485 1.00 21.24 H new ATOM 0 HG LEU A 60 2.089 -4.123 -6.873 1.00 71.22 H new ATOM 0 HD11 LEU A 60 1.447 -5.199 -9.002 1.00 24.31 H new ATOM 0 HD12 LEU A 60 3.030 -5.757 -8.411 1.00 24.31 H new ATOM 0 HD13 LEU A 60 1.594 -6.792 -8.224 1.00 24.31 H new ATOM 0 HD21 LEU A 60 -0.275 -4.466 -7.467 1.00 15.43 H new ATOM 0 HD22 LEU A 60 -0.259 -6.012 -6.585 1.00 15.43 H new ATOM 0 HD23 LEU A 60 -0.005 -4.484 -5.708 1.00 15.43 H new ATOM 879 N ALA A 61 3.938 -3.236 -5.297 1.00 11.32 N ATOM 880 CA ALA A 61 5.178 -2.557 -5.550 1.00 61.25 C ATOM 881 C ALA A 61 5.055 -1.120 -5.199 1.00 11.14 C ATOM 882 O ALA A 61 3.965 -0.564 -5.066 1.00 1.15 O ATOM 883 CB ALA A 61 5.653 -2.646 -7.013 1.00 23.15 C ATOM 0 H ALA A 61 3.105 -2.794 -5.686 1.00 11.32 H new ATOM 0 HA ALA A 61 5.916 -3.063 -4.929 1.00 61.25 H new ATOM 0 HB1 ALA A 61 6.595 -2.109 -7.123 1.00 23.15 H new ATOM 0 HB2 ALA A 61 5.797 -3.691 -7.286 1.00 23.15 H new ATOM 0 HB3 ALA A 61 4.903 -2.201 -7.667 1.00 23.15 H new ATOM 889 N VAL A 62 6.233 -0.517 -5.031 1.00 13.22 N ATOM 890 CA VAL A 62 6.374 0.846 -4.631 1.00 23.52 C ATOM 891 C VAL A 62 7.548 1.336 -5.408 1.00 64.10 C ATOM 892 O VAL A 62 8.664 0.892 -5.184 1.00 2.42 O ATOM 893 CB VAL A 62 6.674 1.030 -3.140 1.00 74.52 C ATOM 894 CG1 VAL A 62 6.763 2.546 -2.828 1.00 43.25 C ATOM 895 CG2 VAL A 62 5.575 0.307 -2.323 1.00 44.15 C ATOM 0 H VAL A 62 7.124 -0.991 -5.178 1.00 13.22 H new ATOM 0 HA VAL A 62 5.441 1.380 -4.812 1.00 23.52 H new ATOM 0 HB VAL A 62 7.632 0.589 -2.864 1.00 74.52 H new ATOM 0 HG11 VAL A 62 6.976 2.688 -1.768 1.00 43.25 H new ATOM 0 HG12 VAL A 62 7.560 2.993 -3.422 1.00 43.25 H new ATOM 0 HG13 VAL A 62 5.815 3.024 -3.074 1.00 43.25 H new ATOM 0 HG21 VAL A 62 5.774 0.428 -1.258 1.00 44.15 H new ATOM 0 HG22 VAL A 62 4.602 0.737 -2.562 1.00 44.15 H new ATOM 0 HG23 VAL A 62 5.574 -0.754 -2.573 1.00 44.15 H new ATOM 905 N ASN A 63 7.300 2.248 -6.362 1.00 64.04 N ATOM 906 CA ASN A 63 8.343 2.816 -7.250 1.00 71.12 C ATOM 907 C ASN A 63 9.164 1.707 -7.881 1.00 54.31 C ATOM 908 O ASN A 63 10.366 1.837 -8.025 1.00 71.11 O ATOM 909 CB ASN A 63 9.331 3.821 -6.565 1.00 11.14 C ATOM 910 CG ASN A 63 8.605 5.121 -6.231 1.00 21.42 C ATOM 911 OD1 ASN A 63 7.486 5.367 -6.693 1.00 72.51 O ATOM 912 ND2 ASN A 63 9.247 5.991 -5.419 1.00 55.24 N ATOM 0 H ASN A 63 6.367 2.618 -6.545 1.00 64.04 H new ATOM 0 HA ASN A 63 7.782 3.382 -7.993 1.00 71.12 H new ATOM 0 HB2 ASN A 63 9.740 3.379 -5.656 1.00 11.14 H new ATOM 0 HB3 ASN A 63 10.173 4.025 -7.227 1.00 11.14 H new ATOM 0 HD21 ASN A 63 8.808 6.878 -5.173 1.00 55.24 H new ATOM 0 HD22 ASN A 63 10.171 5.760 -5.053 1.00 55.24 H new ATOM 919 N GLY A 64 8.520 0.594 -8.289 1.00 34.33 N ATOM 920 CA GLY A 64 9.228 -0.426 -9.050 1.00 53.52 C ATOM 921 C GLY A 64 9.911 -1.385 -8.113 1.00 11.21 C ATOM 922 O GLY A 64 10.656 -2.268 -8.555 1.00 20.41 O ATOM 0 H GLY A 64 7.537 0.392 -8.105 1.00 34.33 H new ATOM 0 HA2 GLY A 64 8.529 -0.965 -9.690 1.00 53.52 H new ATOM 0 HA3 GLY A 64 9.963 0.042 -9.705 1.00 53.52 H new ATOM 926 N VAL A 65 9.662 -1.269 -6.795 1.00 73.03 N ATOM 927 CA VAL A 65 10.273 -2.174 -5.860 1.00 20.43 C ATOM 928 C VAL A 65 9.149 -3.058 -5.395 1.00 31.53 C ATOM 929 O VAL A 65 8.201 -2.582 -4.813 1.00 30.41 O ATOM 930 CB VAL A 65 10.887 -1.463 -4.655 1.00 33.43 C ATOM 931 CG1 VAL A 65 11.606 -2.498 -3.761 1.00 32.31 C ATOM 932 CG2 VAL A 65 11.840 -0.361 -5.182 1.00 2.11 C ATOM 0 H VAL A 65 9.051 -0.565 -6.380 1.00 73.03 H new ATOM 0 HA VAL A 65 11.092 -2.713 -6.336 1.00 20.43 H new ATOM 0 HB VAL A 65 10.125 -0.987 -4.037 1.00 33.43 H new ATOM 0 HG11 VAL A 65 12.045 -1.993 -2.901 1.00 32.31 H new ATOM 0 HG12 VAL A 65 10.888 -3.243 -3.417 1.00 32.31 H new ATOM 0 HG13 VAL A 65 12.393 -2.989 -4.334 1.00 32.31 H new ATOM 0 HG21 VAL A 65 12.292 0.162 -4.340 1.00 2.11 H new ATOM 0 HG22 VAL A 65 12.623 -0.816 -5.789 1.00 2.11 H new ATOM 0 HG23 VAL A 65 11.277 0.347 -5.789 1.00 2.11 H new ATOM 942 N SER A 66 9.244 -4.366 -5.689 1.00 42.22 N ATOM 943 CA SER A 66 8.175 -5.325 -5.372 1.00 15.21 C ATOM 944 C SER A 66 8.220 -5.744 -3.897 1.00 11.32 C ATOM 945 O SER A 66 7.552 -6.710 -3.514 1.00 63.42 O ATOM 946 CB SER A 66 8.281 -6.595 -6.229 1.00 23.51 C ATOM 947 OG SER A 66 8.286 -6.262 -7.630 1.00 0.45 O ATOM 0 H SER A 66 10.054 -4.783 -6.147 1.00 42.22 H new ATOM 0 HA SER A 66 7.236 -4.815 -5.586 1.00 15.21 H new ATOM 0 HB2 SER A 66 9.192 -7.137 -5.975 1.00 23.51 H new ATOM 0 HB3 SER A 66 7.444 -7.259 -6.010 1.00 23.51 H new ATOM 0 HG SER A 66 8.356 -7.083 -8.161 1.00 0.45 H new ATOM 953 N LEU A 67 8.982 -4.976 -3.061 1.00 10.24 N ATOM 954 CA LEU A 67 9.137 -5.201 -1.590 1.00 21.43 C ATOM 955 C LEU A 67 9.205 -6.704 -1.257 1.00 42.21 C ATOM 956 O LEU A 67 8.649 -7.148 -0.249 1.00 22.01 O ATOM 957 CB LEU A 67 7.956 -4.575 -0.749 1.00 74.15 C ATOM 958 CG LEU A 67 8.113 -3.081 -0.365 1.00 11.24 C ATOM 959 CD1 LEU A 67 9.261 -2.833 0.625 1.00 13.50 C ATOM 960 CD2 LEU A 67 8.144 -2.122 -1.555 1.00 32.33 C ATOM 0 H LEU A 67 9.513 -4.172 -3.395 1.00 10.24 H new ATOM 0 HA LEU A 67 10.070 -4.706 -1.319 1.00 21.43 H new ATOM 0 HB2 LEU A 67 7.032 -4.689 -1.316 1.00 74.15 H new ATOM 0 HB3 LEU A 67 7.841 -5.155 0.167 1.00 74.15 H new ATOM 0 HG LEU A 67 7.191 -2.839 0.163 1.00 11.24 H new ATOM 0 HD11 LEU A 67 9.320 -1.769 0.855 1.00 13.50 H new ATOM 0 HD12 LEU A 67 9.078 -3.393 1.542 1.00 13.50 H new ATOM 0 HD13 LEU A 67 10.201 -3.161 0.182 1.00 13.50 H new ATOM 0 HD21 LEU A 67 8.256 -1.099 -1.195 1.00 32.33 H new ATOM 0 HD22 LEU A 67 8.984 -2.373 -2.203 1.00 32.33 H new ATOM 0 HD23 LEU A 67 7.214 -2.209 -2.117 1.00 32.33 H new ATOM 972 N GLU A 68 9.883 -7.529 -2.097 1.00 41.42 N ATOM 973 CA GLU A 68 9.865 -8.954 -1.854 1.00 42.32 C ATOM 974 C GLU A 68 10.780 -9.251 -0.718 1.00 41.51 C ATOM 975 O GLU A 68 11.964 -8.900 -0.750 1.00 62.32 O ATOM 976 CB GLU A 68 10.291 -9.849 -3.032 1.00 35.22 C ATOM 977 CG GLU A 68 9.414 -9.697 -4.281 1.00 1.52 C ATOM 978 CD GLU A 68 9.708 -10.856 -5.220 1.00 52.33 C ATOM 979 OE1 GLU A 68 10.510 -11.758 -4.850 1.00 40.04 O ATOM 980 OE2 GLU A 68 9.120 -10.901 -6.311 1.00 64.11 O ATOM 0 H GLU A 68 10.421 -7.228 -2.909 1.00 41.42 H new ATOM 0 HA GLU A 68 8.819 -9.191 -1.657 1.00 42.32 H new ATOM 0 HB2 GLU A 68 11.323 -9.618 -3.295 1.00 35.22 H new ATOM 0 HB3 GLU A 68 10.269 -10.890 -2.710 1.00 35.22 H new ATOM 0 HG2 GLU A 68 8.360 -9.691 -4.005 1.00 1.52 H new ATOM 0 HG3 GLU A 68 9.620 -8.747 -4.775 1.00 1.52 H new ATOM 987 N GLY A 69 10.248 -9.926 0.307 1.00 42.03 N ATOM 988 CA GLY A 69 11.063 -10.419 1.394 1.00 5.51 C ATOM 989 C GLY A 69 11.299 -9.323 2.385 1.00 14.32 C ATOM 990 O GLY A 69 11.867 -9.564 3.446 1.00 71.54 O ATOM 0 H GLY A 69 9.254 -10.137 0.396 1.00 42.03 H new ATOM 0 HA2 GLY A 69 10.569 -11.261 1.879 1.00 5.51 H new ATOM 0 HA3 GLY A 69 12.015 -10.786 1.010 1.00 5.51 H new ATOM 994 N ALA A 70 10.886 -8.069 2.068 1.00 64.23 N ATOM 995 CA ALA A 70 11.121 -6.969 2.973 1.00 12.42 C ATOM 996 C ALA A 70 10.221 -7.146 4.154 1.00 25.43 C ATOM 997 O ALA A 70 9.194 -7.799 4.070 1.00 14.35 O ATOM 998 CB ALA A 70 10.833 -5.586 2.353 1.00 24.00 C ATOM 0 H ALA A 70 10.401 -7.821 1.206 1.00 64.23 H new ATOM 0 HA ALA A 70 12.178 -6.987 3.239 1.00 12.42 H new ATOM 0 HB1 ALA A 70 11.031 -4.808 3.090 1.00 24.00 H new ATOM 0 HB2 ALA A 70 11.475 -5.436 1.485 1.00 24.00 H new ATOM 0 HB3 ALA A 70 9.789 -5.536 2.045 1.00 24.00 H new ATOM 1004 N THR A 71 10.620 -6.590 5.292 1.00 11.20 N ATOM 1005 CA THR A 71 9.850 -6.744 6.487 1.00 23.41 C ATOM 1006 C THR A 71 8.763 -5.700 6.483 1.00 34.02 C ATOM 1007 O THR A 71 8.778 -4.749 5.690 1.00 15.03 O ATOM 1008 CB THR A 71 10.684 -6.615 7.743 1.00 32.51 C ATOM 1009 OG1 THR A 71 11.623 -5.545 7.589 1.00 15.35 O ATOM 1010 CG2 THR A 71 11.442 -7.942 7.935 1.00 1.54 C ATOM 0 H THR A 71 11.469 -6.035 5.397 1.00 11.20 H new ATOM 0 HA THR A 71 9.431 -7.750 6.496 1.00 23.41 H new ATOM 0 HB THR A 71 10.051 -6.403 8.605 1.00 32.51 H new ATOM 0 HG1 THR A 71 12.161 -5.462 8.404 1.00 15.35 H new ATOM 0 HG21 THR A 71 12.055 -7.884 8.834 1.00 1.54 H new ATOM 0 HG22 THR A 71 10.727 -8.758 8.036 1.00 1.54 H new ATOM 0 HG23 THR A 71 12.081 -8.124 7.071 1.00 1.54 H new ATOM 1018 N HIS A 72 7.780 -5.891 7.379 1.00 34.21 N ATOM 1019 CA HIS A 72 6.642 -5.012 7.470 1.00 51.43 C ATOM 1020 C HIS A 72 7.112 -3.634 7.878 1.00 11.51 C ATOM 1021 O HIS A 72 6.607 -2.641 7.375 1.00 43.23 O ATOM 1022 CB HIS A 72 5.532 -5.515 8.427 1.00 14.10 C ATOM 1023 CG HIS A 72 5.933 -5.672 9.869 1.00 71.51 C ATOM 1024 ND1 HIS A 72 6.461 -6.728 10.513 1.00 40.53 N flip ATOM 1025 CD2 HIS A 72 5.725 -4.698 10.795 1.00 51.15 C flip ATOM 1026 CE1 HIS A 72 6.568 -6.388 11.826 1.00 65.31 C flip ATOM 1027 NE2 HIS A 72 6.117 -5.153 11.981 1.00 1.24 N flip ATOM 0 H HIS A 72 7.768 -6.660 8.049 1.00 34.21 H new ATOM 0 HA HIS A 72 6.182 -4.984 6.482 1.00 51.43 H new ATOM 0 HB2 HIS A 72 4.693 -4.821 8.376 1.00 14.10 H new ATOM 0 HB3 HIS A 72 5.173 -6.477 8.062 1.00 14.10 H new ATOM 0 HD1 HIS A 72 6.731 -7.618 10.095 1.00 40.53 H new ATOM 0 HD2 HIS A 72 5.311 -3.720 10.600 1.00 51.15 H new ATOM 0 HE1 HIS A 72 6.956 -7.020 12.611 1.00 65.31 H new ATOM 1036 N LYS A 73 8.147 -3.555 8.772 1.00 4.33 N ATOM 1037 CA LYS A 73 8.752 -2.271 9.135 1.00 44.33 C ATOM 1038 C LYS A 73 9.214 -1.554 7.884 1.00 4.33 C ATOM 1039 O LYS A 73 8.924 -0.383 7.707 1.00 61.32 O ATOM 1040 CB LYS A 73 9.979 -2.377 10.093 1.00 54.53 C ATOM 1041 CG LYS A 73 10.493 -0.994 10.561 1.00 22.14 C ATOM 1042 CD LYS A 73 11.708 -1.029 11.504 1.00 64.44 C ATOM 1043 CE LYS A 73 11.422 -1.669 12.876 1.00 42.04 C ATOM 1044 NZ LYS A 73 12.552 -1.446 13.804 1.00 64.44 N ATOM 0 H LYS A 73 8.561 -4.363 9.238 1.00 4.33 H new ATOM 0 HA LYS A 73 7.970 -1.728 9.665 1.00 44.33 H new ATOM 0 HB2 LYS A 73 9.704 -2.972 10.964 1.00 54.53 H new ATOM 0 HB3 LYS A 73 10.785 -2.907 9.587 1.00 54.53 H new ATOM 0 HG2 LYS A 73 10.753 -0.405 9.682 1.00 22.14 H new ATOM 0 HG3 LYS A 73 9.678 -0.473 11.064 1.00 22.14 H new ATOM 0 HD2 LYS A 73 12.515 -1.579 11.020 1.00 64.44 H new ATOM 0 HD3 LYS A 73 12.065 -0.010 11.658 1.00 64.44 H new ATOM 0 HE2 LYS A 73 10.510 -1.245 13.297 1.00 42.04 H new ATOM 0 HE3 LYS A 73 11.250 -2.739 12.755 1.00 42.04 H new ATOM 0 HZ1 LYS A 73 12.339 -1.885 14.722 1.00 64.44 H new ATOM 0 HZ2 LYS A 73 13.415 -1.871 13.409 1.00 64.44 H new ATOM 0 HZ3 LYS A 73 12.698 -0.425 13.934 1.00 64.44 H new ATOM 1058 N GLN A 74 9.950 -2.253 6.974 1.00 40.13 N ATOM 1059 CA GLN A 74 10.540 -1.592 5.820 1.00 31.51 C ATOM 1060 C GLN A 74 9.449 -1.163 4.881 1.00 14.44 C ATOM 1061 O GLN A 74 9.586 -0.173 4.205 1.00 5.04 O ATOM 1062 CB GLN A 74 11.508 -2.499 5.032 1.00 2.15 C ATOM 1063 CG GLN A 74 12.767 -2.871 5.828 1.00 40.10 C ATOM 1064 CD GLN A 74 13.598 -3.821 4.975 1.00 60.23 C ATOM 1065 OE1 GLN A 74 13.294 -5.021 4.879 1.00 70.15 O ATOM 1066 NE2 GLN A 74 14.659 -3.306 4.330 1.00 24.14 N ATOM 0 H GLN A 74 10.135 -3.254 7.032 1.00 40.13 H new ATOM 0 HA GLN A 74 11.106 -0.743 6.204 1.00 31.51 H new ATOM 0 HB2 GLN A 74 10.987 -3.411 4.741 1.00 2.15 H new ATOM 0 HB3 GLN A 74 11.803 -1.993 4.112 1.00 2.15 H new ATOM 0 HG2 GLN A 74 13.341 -1.977 6.073 1.00 40.10 H new ATOM 0 HG3 GLN A 74 12.496 -3.344 6.772 1.00 40.10 H new ATOM 0 HE21 GLN A 74 14.884 -2.316 4.428 1.00 24.14 H new ATOM 0 HE22 GLN A 74 15.239 -3.905 3.743 1.00 24.14 H new ATOM 1075 N ALA A 75 8.320 -1.903 4.842 1.00 3.24 N ATOM 1076 CA ALA A 75 7.181 -1.534 3.986 1.00 70.20 C ATOM 1077 C ALA A 75 6.701 -0.147 4.398 1.00 24.55 C ATOM 1078 O ALA A 75 6.402 0.696 3.550 1.00 5.35 O ATOM 1079 CB ALA A 75 5.999 -2.514 4.105 1.00 5.42 C ATOM 0 H ALA A 75 8.177 -2.752 5.390 1.00 3.24 H new ATOM 0 HA ALA A 75 7.524 -1.559 2.952 1.00 70.20 H new ATOM 0 HB1 ALA A 75 5.190 -2.189 3.451 1.00 5.42 H new ATOM 0 HB2 ALA A 75 6.324 -3.513 3.813 1.00 5.42 H new ATOM 0 HB3 ALA A 75 5.646 -2.535 5.136 1.00 5.42 H new ATOM 1085 N VAL A 76 6.678 0.117 5.727 1.00 13.14 N ATOM 1086 CA VAL A 76 6.282 1.428 6.232 1.00 73.45 C ATOM 1087 C VAL A 76 7.389 2.407 5.866 1.00 23.25 C ATOM 1088 O VAL A 76 7.113 3.471 5.288 1.00 15.11 O ATOM 1089 CB VAL A 76 6.074 1.468 7.754 1.00 70.31 C ATOM 1090 CG1 VAL A 76 5.607 2.887 8.169 1.00 71.44 C ATOM 1091 CG2 VAL A 76 5.058 0.378 8.146 1.00 51.10 C ATOM 0 H VAL A 76 6.927 -0.559 6.449 1.00 13.14 H new ATOM 0 HA VAL A 76 5.322 1.683 5.783 1.00 73.45 H new ATOM 0 HB VAL A 76 7.005 1.263 8.282 1.00 70.31 H new ATOM 0 HG11 VAL A 76 5.458 2.920 9.248 1.00 71.44 H new ATOM 0 HG12 VAL A 76 6.365 3.617 7.885 1.00 71.44 H new ATOM 0 HG13 VAL A 76 4.669 3.123 7.666 1.00 71.44 H new ATOM 0 HG21 VAL A 76 4.902 0.397 9.225 1.00 51.10 H new ATOM 0 HG22 VAL A 76 4.111 0.564 7.639 1.00 51.10 H new ATOM 0 HG23 VAL A 76 5.441 -0.599 7.852 1.00 51.10 H new ATOM 1101 N CYS A 77 8.685 2.041 6.212 1.00 62.44 N ATOM 1102 CA CYS A 77 9.857 2.985 5.982 1.00 72.12 C ATOM 1103 C CYS A 77 9.837 3.439 4.521 1.00 41.31 C ATOM 1104 O CYS A 77 10.486 4.384 4.147 1.00 41.13 O ATOM 1105 CB CYS A 77 11.256 2.327 6.209 1.00 0.04 C ATOM 1106 SG CYS A 77 11.521 1.678 7.894 1.00 73.24 S ATOM 0 H CYS A 77 8.936 1.145 6.630 1.00 62.44 H new ATOM 0 HA CYS A 77 9.735 3.796 6.700 1.00 72.12 H new ATOM 0 HB2 CYS A 77 11.381 1.512 5.496 1.00 0.04 H new ATOM 0 HB3 CYS A 77 12.030 3.063 5.991 1.00 0.04 H new ATOM 1111 N THR A 78 9.291 2.578 3.635 1.00 1.21 N ATOM 1112 CA THR A 78 9.382 2.818 2.220 1.00 22.20 C ATOM 1113 C THR A 78 8.454 3.954 1.888 1.00 5.11 C ATOM 1114 O THR A 78 8.886 4.965 1.377 1.00 4.50 O ATOM 1115 CB THR A 78 9.010 1.596 1.382 1.00 55.34 C ATOM 1116 OG1 THR A 78 9.856 0.501 1.719 1.00 14.20 O ATOM 1117 CG2 THR A 78 9.207 1.927 -0.116 1.00 40.02 C ATOM 0 H THR A 78 8.793 1.726 3.893 1.00 1.21 H new ATOM 0 HA THR A 78 10.418 3.055 1.979 1.00 22.20 H new ATOM 0 HB THR A 78 7.971 1.332 1.579 1.00 55.34 H new ATOM 0 HG1 THR A 78 9.590 0.138 2.589 1.00 14.20 H new ATOM 0 HG21 THR A 78 8.943 1.058 -0.718 1.00 40.02 H new ATOM 0 HG22 THR A 78 8.568 2.766 -0.390 1.00 40.02 H new ATOM 0 HG23 THR A 78 10.249 2.190 -0.296 1.00 40.02 H new ATOM 1125 N LEU A 79 7.142 3.811 2.216 1.00 14.51 N ATOM 1126 CA LEU A 79 6.146 4.817 1.823 1.00 74.11 C ATOM 1127 C LEU A 79 6.544 6.146 2.410 1.00 52.10 C ATOM 1128 O LEU A 79 6.731 7.116 1.710 1.00 73.41 O ATOM 1129 CB LEU A 79 4.718 4.475 2.325 1.00 22.42 C ATOM 1130 CG LEU A 79 4.227 3.072 1.892 1.00 10.03 C ATOM 1131 CD1 LEU A 79 2.831 2.738 2.452 1.00 70.54 C ATOM 1132 CD2 LEU A 79 4.318 2.842 0.371 1.00 75.21 C ATOM 0 H LEU A 79 6.765 3.022 2.741 1.00 14.51 H new ATOM 0 HA LEU A 79 6.122 4.842 0.734 1.00 74.11 H new ATOM 0 HB2 LEU A 79 4.700 4.537 3.413 1.00 22.42 H new ATOM 0 HB3 LEU A 79 4.021 5.226 1.952 1.00 22.42 H new ATOM 0 HG LEU A 79 4.922 2.364 2.343 1.00 10.03 H new ATOM 0 HD11 LEU A 79 2.534 1.744 2.119 1.00 70.54 H new ATOM 0 HD12 LEU A 79 2.861 2.762 3.541 1.00 70.54 H new ATOM 0 HD13 LEU A 79 2.110 3.472 2.093 1.00 70.54 H new ATOM 0 HD21 LEU A 79 3.959 1.841 0.132 1.00 75.21 H new ATOM 0 HD22 LEU A 79 3.705 3.580 -0.146 1.00 75.21 H new ATOM 0 HD23 LEU A 79 5.355 2.942 0.049 1.00 75.21 H new ATOM 1144 N ARG A 80 6.689 6.172 3.718 1.00 43.04 N ATOM 1145 CA ARG A 80 7.147 7.362 4.439 1.00 63.14 C ATOM 1146 C ARG A 80 8.394 8.013 3.795 1.00 32.33 C ATOM 1147 O ARG A 80 8.477 9.240 3.732 1.00 62.53 O ATOM 1148 CB ARG A 80 7.401 7.075 5.932 1.00 20.40 C ATOM 1149 CG ARG A 80 7.709 8.319 6.776 1.00 62.32 C ATOM 1150 CD ARG A 80 7.278 8.168 8.240 1.00 0.34 C ATOM 1151 NE ARG A 80 7.817 6.858 8.774 1.00 14.21 N ATOM 1152 CZ ARG A 80 7.096 6.108 9.704 1.00 21.21 C ATOM 1153 NH1 ARG A 80 5.885 6.567 10.194 1.00 3.20 N ATOM 1154 NH2 ARG A 80 7.581 4.912 10.132 1.00 24.21 N ATOM 0 H ARG A 80 6.495 5.372 4.321 1.00 43.04 H new ATOM 0 HA ARG A 80 6.330 8.079 4.364 1.00 63.14 H new ATOM 0 HB2 ARG A 80 6.525 6.578 6.347 1.00 20.40 H new ATOM 0 HB3 ARG A 80 8.234 6.378 6.018 1.00 20.40 H new ATOM 0 HG2 ARG A 80 8.779 8.523 6.737 1.00 62.32 H new ATOM 0 HG3 ARG A 80 7.204 9.181 6.341 1.00 62.32 H new ATOM 0 HD2 ARG A 80 7.656 9.001 8.833 1.00 0.34 H new ATOM 0 HD3 ARG A 80 6.191 8.189 8.318 1.00 0.34 H new ATOM 0 HE ARG A 80 8.722 6.518 8.449 1.00 14.21 H new ATOM 0 HH11 ARG A 80 5.512 7.461 9.875 1.00 3.20 H new ATOM 0 HH12 ARG A 80 5.366 6.011 10.874 1.00 3.20 H new ATOM 0 HH21 ARG A 80 8.470 4.565 9.773 1.00 24.21 H new ATOM 0 HH22 ARG A 80 7.055 4.362 10.812 1.00 24.21 H new ATOM 1168 N ASN A 81 9.359 7.218 3.289 1.00 62.14 N ATOM 1169 CA ASN A 81 10.620 7.791 2.769 1.00 4.40 C ATOM 1170 C ASN A 81 10.469 8.146 1.279 1.00 10.32 C ATOM 1171 O ASN A 81 11.394 8.681 0.671 1.00 21.35 O ATOM 1172 CB ASN A 81 11.808 6.797 2.912 1.00 22.24 C ATOM 1173 CG ASN A 81 13.137 7.480 2.566 1.00 63.50 C ATOM 1174 OD1 ASN A 81 13.728 7.213 1.520 1.00 32.50 O ATOM 1175 ND2 ASN A 81 13.630 8.366 3.454 1.00 24.53 N ATOM 0 H ASN A 81 9.295 6.202 3.229 1.00 62.14 H new ATOM 0 HA ASN A 81 10.830 8.684 3.358 1.00 4.40 H new ATOM 0 HB2 ASN A 81 11.846 6.414 3.932 1.00 22.24 H new ATOM 0 HB3 ASN A 81 11.652 5.941 2.255 1.00 22.24 H new ATOM 0 HD21 ASN A 81 14.516 8.836 3.267 1.00 24.53 H new ATOM 0 HD22 ASN A 81 13.117 8.567 4.313 1.00 24.53 H new ATOM 1182 N THR A 82 9.305 7.873 0.656 1.00 62.52 N ATOM 1183 CA THR A 82 9.176 8.167 -0.780 1.00 74.32 C ATOM 1184 C THR A 82 8.953 9.672 -0.941 1.00 10.32 C ATOM 1185 O THR A 82 8.874 10.423 0.046 1.00 21.34 O ATOM 1186 CB THR A 82 8.070 7.401 -1.514 1.00 63.43 C ATOM 1187 OG1 THR A 82 6.840 7.458 -0.800 1.00 1.13 O ATOM 1188 CG2 THR A 82 8.496 5.935 -1.731 1.00 12.32 C ATOM 0 H THR A 82 8.480 7.469 1.100 1.00 62.52 H new ATOM 0 HA THR A 82 10.102 7.830 -1.245 1.00 74.32 H new ATOM 0 HB THR A 82 7.916 7.875 -2.483 1.00 63.43 H new ATOM 0 HG1 THR A 82 6.935 6.986 0.054 1.00 1.13 H new ATOM 0 HG21 THR A 82 7.703 5.399 -2.253 1.00 12.32 H new ATOM 0 HG22 THR A 82 9.408 5.906 -2.327 1.00 12.32 H new ATOM 0 HG23 THR A 82 8.678 5.462 -0.766 1.00 12.32 H new ATOM 1196 N GLY A 83 8.882 10.132 -2.209 1.00 22.11 N ATOM 1197 CA GLY A 83 8.735 11.539 -2.509 1.00 24.43 C ATOM 1198 C GLY A 83 7.306 11.922 -2.322 1.00 1.01 C ATOM 1199 O GLY A 83 6.520 11.203 -1.686 1.00 4.45 O ATOM 0 H GLY A 83 8.926 9.531 -3.032 1.00 22.11 H new ATOM 0 HA2 GLY A 83 9.374 12.133 -1.856 1.00 24.43 H new ATOM 0 HA3 GLY A 83 9.050 11.742 -3.533 1.00 24.43 H new ATOM 1203 N GLN A 84 6.928 13.086 -2.876 1.00 4.41 N ATOM 1204 CA GLN A 84 5.615 13.619 -2.673 1.00 32.05 C ATOM 1205 C GLN A 84 4.701 12.887 -3.597 1.00 35.43 C ATOM 1206 O GLN A 84 3.571 12.630 -3.257 1.00 43.22 O ATOM 1207 CB GLN A 84 5.505 15.140 -2.978 1.00 30.44 C ATOM 1208 CG GLN A 84 4.132 15.748 -2.600 1.00 62.13 C ATOM 1209 CD GLN A 84 4.144 17.220 -2.988 1.00 13.54 C ATOM 1210 OE1 GLN A 84 4.365 17.557 -4.149 1.00 54.03 O ATOM 1211 NE2 GLN A 84 3.913 18.121 -2.017 1.00 52.24 N ATOM 0 H GLN A 84 7.531 13.660 -3.465 1.00 4.41 H new ATOM 0 HA GLN A 84 5.358 13.493 -1.621 1.00 32.05 H new ATOM 0 HB2 GLN A 84 6.289 15.669 -2.436 1.00 30.44 H new ATOM 0 HB3 GLN A 84 5.686 15.303 -4.040 1.00 30.44 H new ATOM 0 HG2 GLN A 84 3.328 15.224 -3.118 1.00 62.13 H new ATOM 0 HG3 GLN A 84 3.948 15.637 -1.531 1.00 62.13 H new ATOM 0 HE21 GLN A 84 3.733 17.808 -1.063 1.00 52.24 H new ATOM 0 HE22 GLN A 84 3.918 19.118 -2.234 1.00 52.24 H new ATOM 1220 N VAL A 85 5.201 12.507 -4.786 1.00 41.21 N ATOM 1221 CA VAL A 85 4.394 11.760 -5.715 1.00 70.24 C ATOM 1222 C VAL A 85 5.061 10.422 -5.781 1.00 41.51 C ATOM 1223 O VAL A 85 6.292 10.347 -5.894 1.00 43.11 O ATOM 1224 CB VAL A 85 4.327 12.364 -7.112 1.00 3.03 C ATOM 1225 CG1 VAL A 85 3.292 11.568 -7.946 1.00 24.20 C ATOM 1226 CG2 VAL A 85 3.952 13.856 -6.970 1.00 1.33 C ATOM 0 H VAL A 85 6.148 12.710 -5.106 1.00 41.21 H new ATOM 0 HA VAL A 85 3.359 11.737 -5.375 1.00 70.24 H new ATOM 0 HB VAL A 85 5.283 12.303 -7.631 1.00 3.03 H new ATOM 0 HG11 VAL A 85 3.233 11.989 -8.950 1.00 24.20 H new ATOM 0 HG12 VAL A 85 3.600 10.524 -8.008 1.00 24.20 H new ATOM 0 HG13 VAL A 85 2.314 11.630 -7.468 1.00 24.20 H new ATOM 0 HG21 VAL A 85 3.897 14.313 -7.958 1.00 1.33 H new ATOM 0 HG22 VAL A 85 2.984 13.942 -6.476 1.00 1.33 H new ATOM 0 HG23 VAL A 85 4.710 14.367 -6.376 1.00 1.33 H new ATOM 1236 N VAL A 86 4.290 9.340 -5.632 1.00 53.23 N ATOM 1237 CA VAL A 86 4.869 8.028 -5.554 1.00 53.41 C ATOM 1238 C VAL A 86 4.132 7.197 -6.542 1.00 44.24 C ATOM 1239 O VAL A 86 2.959 7.430 -6.782 1.00 51.54 O ATOM 1240 CB VAL A 86 4.679 7.403 -4.175 1.00 5.23 C ATOM 1241 CG1 VAL A 86 5.566 6.140 -4.042 1.00 60.01 C ATOM 1242 CG2 VAL A 86 5.006 8.472 -3.121 1.00 1.10 C ATOM 0 H VAL A 86 3.272 9.363 -5.565 1.00 53.23 H new ATOM 0 HA VAL A 86 5.940 8.086 -5.747 1.00 53.41 H new ATOM 0 HB VAL A 86 3.650 7.075 -4.026 1.00 5.23 H new ATOM 0 HG11 VAL A 86 5.425 5.699 -3.055 1.00 60.01 H new ATOM 0 HG12 VAL A 86 5.285 5.416 -4.807 1.00 60.01 H new ATOM 0 HG13 VAL A 86 6.613 6.415 -4.171 1.00 60.01 H new ATOM 0 HG21 VAL A 86 4.878 8.051 -2.124 1.00 1.10 H new ATOM 0 HG22 VAL A 86 6.037 8.802 -3.246 1.00 1.10 H new ATOM 0 HG23 VAL A 86 4.335 9.322 -3.245 1.00 1.10 H new ATOM 1252 N HIS A 87 4.808 6.194 -7.120 1.00 74.00 N ATOM 1253 CA HIS A 87 4.164 5.254 -7.988 1.00 35.13 C ATOM 1254 C HIS A 87 3.864 4.070 -7.128 1.00 55.20 C ATOM 1255 O HIS A 87 4.783 3.382 -6.675 1.00 12.24 O ATOM 1256 CB HIS A 87 5.086 4.768 -9.132 1.00 1.53 C ATOM 1257 CG HIS A 87 4.447 3.746 -10.029 1.00 4.33 C ATOM 1258 ND1 HIS A 87 4.697 2.429 -10.172 1.00 35.11 N flip ATOM 1259 CD2 HIS A 87 3.455 4.067 -10.900 1.00 31.12 C flip ATOM 1260 CE1 HIS A 87 3.854 1.967 -11.135 1.00 33.23 C flip ATOM 1261 NE2 HIS A 87 3.104 2.976 -11.560 1.00 73.24 N flip ATOM 0 H HIS A 87 5.806 6.030 -6.988 1.00 74.00 H new ATOM 0 HA HIS A 87 3.291 5.720 -8.445 1.00 35.13 H new ATOM 0 HB2 HIS A 87 5.389 5.626 -9.732 1.00 1.53 H new ATOM 0 HB3 HIS A 87 5.993 4.344 -8.701 1.00 1.53 H new ATOM 0 HD1 HIS A 87 5.387 1.883 -9.656 1.00 35.11 H new ATOM 0 HD2 HIS A 87 3.025 5.049 -11.031 1.00 31.12 H new ATOM 0 HE1 HIS A 87 3.804 0.949 -11.493 1.00 33.23 H new ATOM 1270 N LEU A 88 2.581 3.813 -6.863 1.00 13.40 N ATOM 1271 CA LEU A 88 2.209 2.691 -6.039 1.00 21.22 C ATOM 1272 C LEU A 88 1.518 1.753 -6.946 1.00 4.21 C ATOM 1273 O LEU A 88 0.739 2.171 -7.811 1.00 33.40 O ATOM 1274 CB LEU A 88 1.254 3.041 -4.866 1.00 14.52 C ATOM 1275 CG LEU A 88 1.842 4.085 -3.888 1.00 72.22 C ATOM 1276 CD1 LEU A 88 0.805 4.580 -2.878 1.00 75.42 C ATOM 1277 CD2 LEU A 88 3.135 3.604 -3.207 1.00 14.22 C ATOM 0 H LEU A 88 1.799 4.368 -7.209 1.00 13.40 H new ATOM 0 HA LEU A 88 3.107 2.289 -5.570 1.00 21.22 H new ATOM 0 HB2 LEU A 88 0.316 3.421 -5.271 1.00 14.52 H new ATOM 0 HB3 LEU A 88 1.017 2.131 -4.315 1.00 14.52 H new ATOM 0 HG LEU A 88 2.124 4.944 -4.497 1.00 72.22 H new ATOM 0 HD11 LEU A 88 1.265 5.311 -2.213 1.00 75.42 H new ATOM 0 HD12 LEU A 88 -0.027 5.044 -3.408 1.00 75.42 H new ATOM 0 HD13 LEU A 88 0.437 3.738 -2.292 1.00 75.42 H new ATOM 0 HD21 LEU A 88 3.501 4.378 -2.533 1.00 14.22 H new ATOM 0 HD22 LEU A 88 2.931 2.696 -2.640 1.00 14.22 H new ATOM 0 HD23 LEU A 88 3.890 3.397 -3.965 1.00 14.22 H new ATOM 1289 N LEU A 89 1.816 0.465 -6.806 1.00 52.13 N ATOM 1290 CA LEU A 89 1.205 -0.516 -7.639 1.00 43.22 C ATOM 1291 C LEU A 89 0.409 -1.354 -6.715 1.00 33.01 C ATOM 1292 O LEU A 89 0.944 -1.862 -5.713 1.00 62.51 O ATOM 1293 CB LEU A 89 2.233 -1.398 -8.386 1.00 33.30 C ATOM 1294 CG LEU A 89 1.648 -2.227 -9.547 1.00 40.44 C ATOM 1295 CD1 LEU A 89 0.882 -1.364 -10.552 1.00 41.13 C ATOM 1296 CD2 LEU A 89 2.725 -3.055 -10.250 1.00 12.33 C ATOM 0 H LEU A 89 2.476 0.096 -6.121 1.00 52.13 H new ATOM 0 HA LEU A 89 0.610 -0.036 -8.416 1.00 43.22 H new ATOM 0 HB2 LEU A 89 3.024 -0.758 -8.777 1.00 33.30 H new ATOM 0 HB3 LEU A 89 2.697 -2.077 -7.670 1.00 33.30 H new ATOM 0 HG LEU A 89 0.931 -2.916 -9.100 1.00 40.44 H new ATOM 0 HD11 LEU A 89 0.490 -1.995 -11.350 1.00 41.13 H new ATOM 0 HD12 LEU A 89 0.056 -0.863 -10.047 1.00 41.13 H new ATOM 0 HD13 LEU A 89 1.553 -0.618 -10.977 1.00 41.13 H new ATOM 0 HD21 LEU A 89 2.273 -3.625 -11.062 1.00 12.33 H new ATOM 0 HD22 LEU A 89 3.489 -2.391 -10.654 1.00 12.33 H new ATOM 0 HD23 LEU A 89 3.181 -3.740 -9.536 1.00 12.33 H new ATOM 1308 N LEU A 90 -0.892 -1.478 -6.984 1.00 41.21 N ATOM 1309 CA LEU A 90 -1.761 -2.135 -6.058 1.00 61.42 C ATOM 1310 C LEU A 90 -2.525 -3.128 -6.820 1.00 40.35 C ATOM 1311 O LEU A 90 -2.680 -3.014 -8.026 1.00 61.02 O ATOM 1312 CB LEU A 90 -2.761 -1.212 -5.327 1.00 44.23 C ATOM 1313 CG LEU A 90 -2.083 -0.135 -4.452 1.00 34.21 C ATOM 1314 CD1 LEU A 90 -1.865 1.192 -5.199 1.00 53.03 C ATOM 1315 CD2 LEU A 90 -2.796 0.059 -3.111 1.00 14.43 C ATOM 0 H LEU A 90 -1.345 -1.131 -7.829 1.00 41.21 H new ATOM 0 HA LEU A 90 -1.131 -2.562 -5.278 1.00 61.42 H new ATOM 0 HB2 LEU A 90 -3.396 -0.722 -6.065 1.00 44.23 H new ATOM 0 HB3 LEU A 90 -3.412 -1.821 -4.700 1.00 44.23 H new ATOM 0 HG LEU A 90 -1.088 -0.516 -4.222 1.00 34.21 H new ATOM 0 HD11 LEU A 90 -1.385 1.910 -4.533 1.00 53.03 H new ATOM 0 HD12 LEU A 90 -1.229 1.021 -6.067 1.00 53.03 H new ATOM 0 HD13 LEU A 90 -2.827 1.587 -5.527 1.00 53.03 H new ATOM 0 HD21 LEU A 90 -2.281 0.826 -2.533 1.00 14.43 H new ATOM 0 HD22 LEU A 90 -3.826 0.368 -3.288 1.00 14.43 H new ATOM 0 HD23 LEU A 90 -2.789 -0.879 -2.556 1.00 14.43 H new ATOM 1327 N GLU A 91 -2.994 -4.158 -6.129 1.00 5.41 N ATOM 1328 CA GLU A 91 -3.757 -5.183 -6.740 1.00 71.40 C ATOM 1329 C GLU A 91 -4.940 -5.292 -5.864 1.00 10.51 C ATOM 1330 O GLU A 91 -4.831 -5.199 -4.636 1.00 11.34 O ATOM 1331 CB GLU A 91 -3.031 -6.557 -6.758 1.00 33.21 C ATOM 1332 CG GLU A 91 -3.866 -7.742 -7.268 1.00 61.12 C ATOM 1333 CD GLU A 91 -3.101 -9.006 -6.953 1.00 72.41 C ATOM 1334 OE1 GLU A 91 -2.767 -9.217 -5.763 1.00 13.15 O ATOM 1335 OE2 GLU A 91 -2.820 -9.787 -7.888 1.00 12.51 O ATOM 0 H GLU A 91 -2.844 -4.286 -5.128 1.00 5.41 H new ATOM 0 HA GLU A 91 -3.967 -4.942 -7.782 1.00 71.40 H new ATOM 0 HB2 GLU A 91 -2.140 -6.469 -7.380 1.00 33.21 H new ATOM 0 HB3 GLU A 91 -2.693 -6.782 -5.747 1.00 33.21 H new ATOM 0 HG2 GLU A 91 -4.844 -7.756 -6.788 1.00 61.12 H new ATOM 0 HG3 GLU A 91 -4.039 -7.656 -8.341 1.00 61.12 H new ATOM 1342 N LYS A 92 -6.109 -5.432 -6.475 1.00 1.54 N ATOM 1343 CA LYS A 92 -7.320 -5.554 -5.726 1.00 42.24 C ATOM 1344 C LYS A 92 -7.335 -6.863 -4.998 1.00 72.23 C ATOM 1345 O LYS A 92 -6.787 -7.865 -5.443 1.00 41.14 O ATOM 1346 CB LYS A 92 -8.605 -5.439 -6.576 1.00 34.14 C ATOM 1347 CG LYS A 92 -8.936 -4.004 -6.981 1.00 42.03 C ATOM 1348 CD LYS A 92 -9.289 -3.152 -5.768 1.00 74.11 C ATOM 1349 CE LYS A 92 -9.558 -1.670 -6.071 1.00 1.43 C ATOM 1350 NZ LYS A 92 -9.742 -0.926 -4.812 1.00 53.31 N ATOM 0 H LYS A 92 -6.228 -5.462 -7.488 1.00 1.54 H new ATOM 0 HA LYS A 92 -7.327 -4.713 -5.033 1.00 42.24 H new ATOM 0 HB2 LYS A 92 -8.493 -6.046 -7.474 1.00 34.14 H new ATOM 0 HB3 LYS A 92 -9.442 -5.853 -6.014 1.00 34.14 H new ATOM 0 HG2 LYS A 92 -8.084 -3.565 -7.500 1.00 42.03 H new ATOM 0 HG3 LYS A 92 -9.771 -4.005 -7.682 1.00 42.03 H new ATOM 0 HD2 LYS A 92 -10.172 -3.576 -5.290 1.00 74.11 H new ATOM 0 HD3 LYS A 92 -8.474 -3.218 -5.047 1.00 74.11 H new ATOM 0 HE2 LYS A 92 -8.726 -1.248 -6.635 1.00 1.43 H new ATOM 0 HE3 LYS A 92 -10.447 -1.573 -6.694 1.00 1.43 H new ATOM 0 HZ1 LYS A 92 -9.488 0.072 -4.958 1.00 53.31 H new ATOM 0 HZ2 LYS A 92 -10.736 -0.990 -4.513 1.00 53.31 H new ATOM 0 HZ3 LYS A 92 -9.132 -1.334 -4.075 1.00 53.31 H new ATOM 1364 N GLY A 93 -7.984 -6.832 -3.854 1.00 3.23 N ATOM 1365 CA GLY A 93 -8.127 -7.985 -3.033 1.00 30.40 C ATOM 1366 C GLY A 93 -9.384 -8.627 -3.462 1.00 55.43 C ATOM 1367 O GLY A 93 -10.142 -8.070 -4.283 1.00 73.23 O ATOM 0 H GLY A 93 -8.426 -5.993 -3.477 1.00 3.23 H new ATOM 0 HA2 GLY A 93 -7.280 -8.661 -3.156 1.00 30.40 H new ATOM 0 HA3 GLY A 93 -8.167 -7.712 -1.978 1.00 30.40 H new ATOM 1371 N GLN A 94 -9.670 -9.807 -2.912 1.00 51.44 N ATOM 1372 CA GLN A 94 -10.908 -10.454 -3.203 1.00 22.44 C ATOM 1373 C GLN A 94 -11.888 -9.888 -2.226 1.00 33.10 C ATOM 1374 O GLN A 94 -11.509 -9.202 -1.265 1.00 51.12 O ATOM 1375 CB GLN A 94 -10.866 -11.990 -3.046 1.00 61.22 C ATOM 1376 CG GLN A 94 -9.932 -12.669 -4.064 1.00 24.13 C ATOM 1377 CD GLN A 94 -9.876 -14.153 -3.733 1.00 25.11 C ATOM 1378 OE1 GLN A 94 -9.383 -14.532 -2.669 1.00 22.44 O ATOM 1379 NE2 GLN A 94 -10.384 -15.013 -4.628 1.00 23.40 N ATOM 0 H GLN A 94 -9.057 -10.313 -2.273 1.00 51.44 H new ATOM 0 HA GLN A 94 -11.168 -10.277 -4.247 1.00 22.44 H new ATOM 0 HB2 GLN A 94 -10.538 -12.239 -2.037 1.00 61.22 H new ATOM 0 HB3 GLN A 94 -11.873 -12.390 -3.161 1.00 61.22 H new ATOM 0 HG2 GLN A 94 -10.300 -12.518 -5.079 1.00 24.13 H new ATOM 0 HG3 GLN A 94 -8.935 -12.230 -4.018 1.00 24.13 H new ATOM 0 HE21 GLN A 94 -10.785 -14.665 -5.499 1.00 23.40 H new ATOM 0 HE22 GLN A 94 -10.370 -16.015 -4.438 1.00 23.40 H new ATOM 1388 N SER A 95 -13.171 -10.123 -2.471 1.00 21.15 N ATOM 1389 CA SER A 95 -14.185 -9.566 -1.619 1.00 13.34 C ATOM 1390 C SER A 95 -14.212 -10.424 -0.368 1.00 54.24 C ATOM 1391 O SER A 95 -14.042 -11.650 -0.440 1.00 64.10 O ATOM 1392 CB SER A 95 -15.567 -9.560 -2.282 1.00 64.12 C ATOM 1393 OG SER A 95 -15.487 -8.822 -3.514 1.00 41.44 O ATOM 0 H SER A 95 -13.520 -10.689 -3.245 1.00 21.15 H new ATOM 0 HA SER A 95 -13.951 -8.525 -1.399 1.00 13.34 H new ATOM 0 HB2 SER A 95 -15.898 -10.581 -2.474 1.00 64.12 H new ATOM 0 HB3 SER A 95 -16.302 -9.106 -1.617 1.00 64.12 H new ATOM 0 HG SER A 95 -16.366 -8.813 -3.948 1.00 41.44 H new ATOM 1399 N PRO A 96 -14.314 -9.767 0.800 1.00 13.22 N ATOM 1400 CA PRO A 96 -14.128 -10.421 2.084 1.00 71.03 C ATOM 1401 C PRO A 96 -15.294 -11.329 2.318 1.00 20.42 C ATOM 1402 O PRO A 96 -16.366 -11.089 1.738 1.00 75.02 O ATOM 1403 CB PRO A 96 -14.110 -9.264 3.104 1.00 14.41 C ATOM 1404 CG PRO A 96 -14.916 -8.140 2.421 1.00 40.14 C ATOM 1405 CD PRO A 96 -14.610 -8.334 0.933 1.00 51.44 C ATOM 0 HA PRO A 96 -13.221 -11.022 2.151 1.00 71.03 H new ATOM 0 HB2 PRO A 96 -14.564 -9.560 4.050 1.00 14.41 H new ATOM 0 HB3 PRO A 96 -13.092 -8.945 3.325 1.00 14.41 H new ATOM 0 HG2 PRO A 96 -15.983 -8.229 2.626 1.00 40.14 H new ATOM 0 HG3 PRO A 96 -14.606 -7.155 2.769 1.00 40.14 H new ATOM 0 HD2 PRO A 96 -15.458 -8.045 0.313 1.00 51.44 H new ATOM 0 HD3 PRO A 96 -13.763 -7.723 0.619 1.00 51.44 H new ATOM 1413 N THR A 97 -15.109 -12.362 3.137 1.00 62.53 N ATOM 1414 CA THR A 97 -16.181 -13.225 3.479 1.00 2.45 C ATOM 1415 C THR A 97 -16.421 -12.957 4.970 1.00 73.12 C ATOM 1416 O THR A 97 -15.528 -13.286 5.781 1.00 50.33 O ATOM 1417 CB THR A 97 -15.848 -14.692 3.281 1.00 13.12 C ATOM 1418 OG1 THR A 97 -15.225 -14.877 2.007 1.00 53.42 O ATOM 1419 CG2 THR A 97 -17.161 -15.496 3.336 1.00 11.12 C ATOM 0 H THR A 97 -14.215 -12.603 3.565 1.00 62.53 H new ATOM 0 HA THR A 97 -17.046 -13.031 2.845 1.00 2.45 H new ATOM 0 HB THR A 97 -15.165 -15.031 4.059 1.00 13.12 H new ATOM 0 HG1 THR A 97 -15.010 -15.825 1.883 1.00 53.42 H new ATOM 0 HG21 THR A 97 -16.945 -16.555 3.196 1.00 11.12 H new ATOM 0 HG22 THR A 97 -17.638 -15.348 4.305 1.00 11.12 H new ATOM 0 HG23 THR A 97 -17.830 -15.154 2.546 1.00 11.12 H new TER 1427 THR A 97 HETATM 1428 C1 33B A 101 1.773 2.174 10.170 1.00 31.43 C HETATM 1429 C2 33B A 101 2.467 2.275 11.541 1.00 35.43 C HETATM 1430 O2 33B A 101 2.315 3.285 12.236 1.00 52.34 O HETATM 1431 N3 33B A 101 3.252 1.197 11.912 1.00 13.33 N HETATM 1432 C4 33B A 101 4.209 1.140 13.119 1.00 14.15 C HETATM 1433 C5 33B A 101 4.422 2.274 13.963 1.00 12.41 C HETATM 1434 C6 33B A 101 4.981 -0.078 13.411 1.00 44.34 C HETATM 1435 S6 33B A 101 4.829 -1.593 12.456 1.00 61.02 S HETATM 1436 C7 33B A 101 5.382 2.239 14.979 1.00 72.35 C HETATM 1437 C8 33B A 101 5.885 -0.065 14.485 1.00 22.24 C HETATM 1438 C9 33B A 101 6.121 1.081 15.234 1.00 23.32 C HETATM 1439 N10 33B A 101 7.189 1.068 16.281 1.00 44.01 N HETATM 1440 N11 33B A 101 8.408 1.456 16.114 1.00 54.24 N HETATM 1441 C12 33B A 101 9.026 2.021 14.833 1.00 31.43 C HETATM 1442 C13 33B A 101 8.662 1.547 13.561 1.00 64.44 C HETATM 1443 C14 33B A 101 10.029 2.992 14.929 1.00 24.40 C HETATM 1444 C15 33B A 101 9.238 2.053 12.406 1.00 33.11 C HETATM 1445 C16 33B A 101 10.697 3.506 13.780 1.00 73.25 C HETATM 1446 C17 33B A 101 10.274 3.028 12.455 1.00 40.33 C HETATM 1447 S17 33B A 101 12.032 4.692 14.028 1.00 23.25 S HETATM 1448 N18 33B A 101 10.961 3.509 11.155 1.00 2.32 N HETATM 1449 C19 33B A 101 10.519 3.181 9.885 1.00 53.44 C HETATM 1450 O19 33B A 101 9.366 2.840 9.645 1.00 22.01 O HETATM 1451 C20 33B A 101 11.521 3.289 8.748 1.00 2.51 C HETATM 1452 O61 33B A 101 4.683 -1.137 11.109 1.00 42.52 O HETATM 1453 O62 33B A 101 6.055 -2.312 12.717 1.00 61.25 O HETATM 1454 O63 33B A 101 3.646 -2.216 13.015 1.00 32.24 O HETATM 1455 O71 33B A 101 13.218 3.852 13.977 1.00 51.23 O HETATM 1456 O72 33B A 101 11.894 5.612 12.930 1.00 24.13 O HETATM 1457 O73 33B A 101 11.745 5.259 15.325 1.00 12.11 O HETATM 0 HO72 33B A 101 12.590 6.299 12.990 1.00 24.13 H new HETATM 0 HO62 33B A 101 5.861 -3.268 12.806 1.00 61.25 H new HETATM 0 HN18 33B A 101 11.787 4.102 11.239 1.00 2.32 H new HETATM 0 HN3 33B A 101 3.191 0.361 11.331 1.00 13.33 H new HETATM 0 H8 33B A 101 6.418 -0.981 14.739 1.00 22.24 H new HETATM 0 H7 33B A 101 5.557 3.130 15.582 1.00 72.35 H new HETATM 0 H5 33B A 101 3.829 3.176 13.813 1.00 12.41 H new HETATM 0 H15 33B A 101 8.889 1.696 11.437 1.00 33.11 H new HETATM 0 H14 33B A 101 10.308 3.367 15.914 1.00 24.40 H new HETATM 0 H13 33B A 101 7.909 0.763 13.481 1.00 64.44 H new