USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 732 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 109 GLN :FLIP amide:sc= -0.913! F(o=-1.7,f=-0.91!) USER MOD Set 1.2: A 110 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 83 SER OG : rot -99:sc= 1.16 USER MOD Set 2.2: A 86 GLN : amide:sc= 1.07 K(o=2.2,f=-2.7) USER MOD Set 3.1: A 37 LYS NZ :NH3+ 164:sc=-0.00521 (180deg=-0.144) USER MOD Set 3.2: A 50 ASN : amide:sc= -4.93 K(o=-4.9,f=-9.2!) USER MOD Set 3.3: A 52 THR OG1 : rot -9:sc= 0.0654 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.045 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.0724 X(o=-0.072,f=0) USER MOD Single : A 55 THR OG1 : rot 171:sc= 1.39 USER MOD Single : A 56 ASN : amide:sc= -0.777 K(o=-0.78,f=-2.5!) USER MOD Single : A 58 HIS : no HD1:sc= -3.83 K(o=-3.8,f=-7.9!) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 THR OG1 : rot 45:sc= 0.192 USER MOD Single : A 72 THR OG1 : rot 38:sc= 0.389 USER MOD Single : A 75 SER OG : rot 180:sc= -0.634 USER MOD Single : A 78 MET CE :methyl -122:sc= -0.674 (180deg=-1.85) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ -128:sc= 0 (180deg=-0.179) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=-0.083) USER MOD Single : A 98 THR OG1 : rot -39:sc= -1.1 USER MOD Single : A 104 THR OG1 : rot 180:sc= -0.772 USER MOD Single : A 105 ASN : amide:sc= -0.847 K(o=-0.85,f=-2.2) USER MOD Single : A 108 ASN : amide:sc= -1.92 K(o=-1.9,f=-3.5) USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 28 90.610 20.047 10.265 1.00 0.00 N ATOM 2 CA GLY A 28 91.480 21.204 9.908 1.00 0.00 C ATOM 3 C GLY A 28 91.049 21.771 8.543 1.00 0.00 C ATOM 4 O GLY A 28 89.883 21.690 8.203 1.00 0.00 O ATOM 0 HA2 GLY A 28 91.408 21.977 10.674 1.00 0.00 H new ATOM 0 HA3 GLY A 28 92.523 20.890 9.870 1.00 0.00 H new ATOM 10 N PRO A 29 91.992 22.330 7.792 1.00 0.00 N ATOM 11 CA PRO A 29 91.667 22.904 6.443 1.00 0.00 C ATOM 12 C PRO A 29 91.054 21.844 5.516 1.00 0.00 C ATOM 13 O PRO A 29 91.671 20.832 5.232 1.00 0.00 O ATOM 14 CB PRO A 29 93.035 23.350 5.920 1.00 0.00 C ATOM 15 CG PRO A 29 93.823 23.601 7.157 1.00 0.00 C ATOM 16 CD PRO A 29 93.428 22.504 8.098 1.00 0.00 C ATOM 0 HA PRO A 29 90.934 23.709 6.491 1.00 0.00 H new ATOM 0 HB2 PRO A 29 93.497 22.581 5.301 1.00 0.00 H new ATOM 0 HB3 PRO A 29 92.956 24.248 5.307 1.00 0.00 H new ATOM 0 HG2 PRO A 29 94.894 23.580 6.954 1.00 0.00 H new ATOM 0 HG3 PRO A 29 93.597 24.581 7.577 1.00 0.00 H new ATOM 0 HD2 PRO A 29 93.996 21.591 7.919 1.00 0.00 H new ATOM 0 HD3 PRO A 29 93.591 22.782 9.139 1.00 0.00 H new ATOM 24 N GLU A 30 89.847 22.078 5.049 1.00 0.00 N ATOM 25 CA GLU A 30 89.167 21.107 4.128 1.00 0.00 C ATOM 26 C GLU A 30 89.483 21.433 2.659 1.00 0.00 C ATOM 27 O GLU A 30 88.599 21.473 1.817 1.00 0.00 O ATOM 28 CB GLU A 30 87.667 21.272 4.413 1.00 0.00 C ATOM 29 CG GLU A 30 87.355 20.794 5.833 1.00 0.00 C ATOM 30 CD GLU A 30 85.849 20.893 6.086 1.00 0.00 C ATOM 31 OE1 GLU A 30 85.158 19.925 5.814 1.00 0.00 O ATOM 32 OE2 GLU A 30 85.414 21.936 6.545 1.00 0.00 O ATOM 0 H GLU A 30 89.299 22.909 5.269 1.00 0.00 H new ATOM 0 HA GLU A 30 89.504 20.084 4.294 1.00 0.00 H new ATOM 0 HB2 GLU A 30 87.378 22.317 4.299 1.00 0.00 H new ATOM 0 HB3 GLU A 30 87.085 20.700 3.690 1.00 0.00 H new ATOM 0 HG2 GLU A 30 87.689 19.765 5.963 1.00 0.00 H new ATOM 0 HG3 GLU A 30 87.897 21.400 6.559 1.00 0.00 H new ATOM 39 N ASP A 31 90.740 21.662 2.353 1.00 0.00 N ATOM 40 CA ASP A 31 91.132 22.038 0.954 1.00 0.00 C ATOM 41 C ASP A 31 91.154 20.786 0.064 1.00 0.00 C ATOM 42 O ASP A 31 92.199 20.211 -0.194 1.00 0.00 O ATOM 43 CB ASP A 31 92.529 22.664 1.066 1.00 0.00 C ATOM 44 CG ASP A 31 92.444 23.977 1.848 1.00 0.00 C ATOM 45 OD1 ASP A 31 91.538 24.748 1.579 1.00 0.00 O ATOM 46 OD2 ASP A 31 93.286 24.188 2.705 1.00 0.00 O ATOM 0 H ASP A 31 91.514 21.604 3.014 1.00 0.00 H new ATOM 0 HA ASP A 31 90.428 22.736 0.502 1.00 0.00 H new ATOM 0 HB2 ASP A 31 93.208 21.974 1.567 1.00 0.00 H new ATOM 0 HB3 ASP A 31 92.937 22.847 0.072 1.00 0.00 H new ATOM 51 N THR A 32 89.996 20.368 -0.400 1.00 0.00 N ATOM 52 CA THR A 32 89.910 19.168 -1.288 1.00 0.00 C ATOM 53 C THR A 32 88.877 19.403 -2.394 1.00 0.00 C ATOM 54 O THR A 32 87.707 19.605 -2.121 1.00 0.00 O ATOM 55 CB THR A 32 89.461 18.030 -0.369 1.00 0.00 C ATOM 56 OG1 THR A 32 90.293 17.999 0.784 1.00 0.00 O ATOM 57 CG2 THR A 32 89.572 16.697 -1.113 1.00 0.00 C ATOM 0 H THR A 32 89.101 20.814 -0.197 1.00 0.00 H new ATOM 0 HA THR A 32 90.857 18.947 -1.780 1.00 0.00 H new ATOM 0 HB THR A 32 88.426 18.192 -0.069 1.00 0.00 H new ATOM 0 HG1 THR A 32 90.006 17.272 1.375 1.00 0.00 H new ATOM 0 HG21 THR A 32 89.252 15.887 -0.458 1.00 0.00 H new ATOM 0 HG22 THR A 32 88.936 16.720 -1.998 1.00 0.00 H new ATOM 0 HG23 THR A 32 90.607 16.533 -1.414 1.00 0.00 H new ATOM 65 N LEU A 33 89.312 19.375 -3.635 1.00 0.00 N ATOM 66 CA LEU A 33 88.367 19.573 -4.784 1.00 0.00 C ATOM 67 C LEU A 33 87.601 18.268 -5.062 1.00 0.00 C ATOM 68 O LEU A 33 88.168 17.205 -4.901 1.00 0.00 O ATOM 69 CB LEU A 33 89.244 19.941 -5.985 1.00 0.00 C ATOM 70 CG LEU A 33 89.889 21.307 -5.749 1.00 0.00 C ATOM 71 CD1 LEU A 33 91.129 21.447 -6.634 1.00 0.00 C ATOM 72 CD2 LEU A 33 88.888 22.411 -6.097 1.00 0.00 C ATOM 0 H LEU A 33 90.285 19.223 -3.902 1.00 0.00 H new ATOM 0 HA LEU A 33 87.629 20.348 -4.576 1.00 0.00 H new ATOM 0 HB2 LEU A 33 90.015 19.184 -6.131 1.00 0.00 H new ATOM 0 HB3 LEU A 33 88.643 19.963 -6.894 1.00 0.00 H new ATOM 0 HG LEU A 33 90.178 21.395 -4.702 1.00 0.00 H new ATOM 0 HD11 LEU A 33 91.588 22.421 -6.465 1.00 0.00 H new ATOM 0 HD12 LEU A 33 91.843 20.661 -6.387 1.00 0.00 H new ATOM 0 HD13 LEU A 33 90.840 21.359 -7.681 1.00 0.00 H new ATOM 0 HD21 LEU A 33 89.348 23.385 -5.929 1.00 0.00 H new ATOM 0 HD22 LEU A 33 88.598 22.322 -7.144 1.00 0.00 H new ATOM 0 HD23 LEU A 33 88.004 22.313 -5.466 1.00 0.00 H new ATOM 84 N PRO A 34 86.339 18.365 -5.466 1.00 0.00 N ATOM 85 CA PRO A 34 85.554 17.141 -5.842 1.00 0.00 C ATOM 86 C PRO A 34 86.201 16.407 -7.028 1.00 0.00 C ATOM 87 O PRO A 34 86.657 17.032 -7.970 1.00 0.00 O ATOM 88 CB PRO A 34 84.190 17.717 -6.244 1.00 0.00 C ATOM 89 CG PRO A 34 84.122 19.013 -5.516 1.00 0.00 C ATOM 90 CD PRO A 34 85.504 19.578 -5.603 1.00 0.00 C ATOM 0 HA PRO A 34 85.498 16.408 -5.037 1.00 0.00 H new ATOM 0 HB2 PRO A 34 84.118 17.860 -7.322 1.00 0.00 H new ATOM 0 HB3 PRO A 34 83.375 17.053 -5.956 1.00 0.00 H new ATOM 0 HG2 PRO A 34 83.392 19.683 -5.970 1.00 0.00 H new ATOM 0 HG3 PRO A 34 83.819 18.868 -4.479 1.00 0.00 H new ATOM 0 HD2 PRO A 34 85.678 20.088 -6.550 1.00 0.00 H new ATOM 0 HD3 PRO A 34 85.700 20.301 -4.811 1.00 0.00 H new ATOM 98 N PHE A 35 86.245 15.091 -6.978 1.00 0.00 N ATOM 99 CA PHE A 35 86.711 14.291 -8.158 1.00 0.00 C ATOM 100 C PHE A 35 86.125 12.868 -8.118 1.00 0.00 C ATOM 101 O PHE A 35 86.829 11.892 -8.312 1.00 0.00 O ATOM 102 CB PHE A 35 88.250 14.289 -8.067 1.00 0.00 C ATOM 103 CG PHE A 35 88.832 13.484 -6.919 1.00 0.00 C ATOM 104 CD1 PHE A 35 88.858 14.028 -5.598 1.00 0.00 C ATOM 105 CD2 PHE A 35 89.361 12.177 -7.160 1.00 0.00 C ATOM 106 CE1 PHE A 35 89.411 13.270 -4.520 1.00 0.00 C ATOM 107 CE2 PHE A 35 89.914 11.418 -6.083 1.00 0.00 C ATOM 108 CZ PHE A 35 89.939 11.963 -4.764 1.00 0.00 C ATOM 0 H PHE A 35 85.976 14.537 -6.165 1.00 0.00 H new ATOM 0 HA PHE A 35 86.378 14.717 -9.104 1.00 0.00 H new ATOM 0 HB2 PHE A 35 88.652 13.900 -9.002 1.00 0.00 H new ATOM 0 HB3 PHE A 35 88.593 15.320 -7.977 1.00 0.00 H new ATOM 0 HD1 PHE A 35 88.459 15.014 -5.414 1.00 0.00 H new ATOM 0 HD2 PHE A 35 89.342 11.763 -8.157 1.00 0.00 H new ATOM 0 HE1 PHE A 35 89.430 13.683 -3.522 1.00 0.00 H new ATOM 0 HE2 PHE A 35 90.313 10.432 -6.267 1.00 0.00 H new ATOM 0 HZ PHE A 35 90.357 11.389 -3.950 1.00 0.00 H new ATOM 118 N LEU A 36 84.839 12.756 -7.878 1.00 0.00 N ATOM 119 CA LEU A 36 84.204 11.419 -7.666 1.00 0.00 C ATOM 120 C LEU A 36 82.696 11.499 -7.916 1.00 0.00 C ATOM 121 O LEU A 36 81.953 11.988 -7.083 1.00 0.00 O ATOM 122 CB LEU A 36 84.492 11.086 -6.203 1.00 0.00 C ATOM 123 CG LEU A 36 84.090 9.641 -5.902 1.00 0.00 C ATOM 124 CD1 LEU A 36 85.053 8.678 -6.601 1.00 0.00 C ATOM 125 CD2 LEU A 36 84.148 9.411 -4.391 1.00 0.00 C ATOM 0 H LEU A 36 84.196 13.546 -7.820 1.00 0.00 H new ATOM 0 HA LEU A 36 84.592 10.660 -8.346 1.00 0.00 H new ATOM 0 HB2 LEU A 36 85.552 11.228 -5.992 1.00 0.00 H new ATOM 0 HB3 LEU A 36 83.943 11.767 -5.552 1.00 0.00 H new ATOM 0 HG LEU A 36 83.078 9.461 -6.266 1.00 0.00 H new ATOM 0 HD11 LEU A 36 84.762 7.650 -6.383 1.00 0.00 H new ATOM 0 HD12 LEU A 36 85.017 8.845 -7.678 1.00 0.00 H new ATOM 0 HD13 LEU A 36 86.067 8.852 -6.241 1.00 0.00 H new ATOM 0 HD21 LEU A 36 83.863 8.383 -4.168 1.00 0.00 H new ATOM 0 HD22 LEU A 36 85.162 9.592 -4.034 1.00 0.00 H new ATOM 0 HD23 LEU A 36 83.461 10.094 -3.892 1.00 0.00 H new ATOM 137 N LYS A 37 82.255 11.024 -9.058 1.00 0.00 N ATOM 138 CA LYS A 37 80.793 11.004 -9.376 1.00 0.00 C ATOM 139 C LYS A 37 80.215 9.606 -9.131 1.00 0.00 C ATOM 140 O LYS A 37 80.640 8.642 -9.746 1.00 0.00 O ATOM 141 CB LYS A 37 80.708 11.362 -10.861 1.00 0.00 C ATOM 142 CG LYS A 37 79.250 11.619 -11.243 1.00 0.00 C ATOM 143 CD LYS A 37 79.158 11.926 -12.739 1.00 0.00 C ATOM 144 CE LYS A 37 77.725 12.327 -13.092 1.00 0.00 C ATOM 145 NZ LYS A 37 77.624 13.765 -12.714 1.00 0.00 N ATOM 0 H LYS A 37 82.855 10.645 -9.791 1.00 0.00 H new ATOM 0 HA LYS A 37 80.226 11.696 -8.753 1.00 0.00 H new ATOM 0 HB2 LYS A 37 81.310 12.247 -11.067 1.00 0.00 H new ATOM 0 HB3 LYS A 37 81.115 10.551 -11.465 1.00 0.00 H new ATOM 0 HG2 LYS A 37 78.641 10.747 -11.002 1.00 0.00 H new ATOM 0 HG3 LYS A 37 78.854 12.454 -10.665 1.00 0.00 H new ATOM 0 HD2 LYS A 37 79.846 12.730 -12.999 1.00 0.00 H new ATOM 0 HD3 LYS A 37 79.456 11.052 -13.319 1.00 0.00 H new ATOM 0 HE2 LYS A 37 77.525 12.183 -14.154 1.00 0.00 H new ATOM 0 HE3 LYS A 37 77.000 11.723 -12.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 76.784 14.184 -13.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 77.542 13.847 -11.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 78.475 14.269 -13.035 1.00 0.00 H new ATOM 159 N CYS A 38 79.263 9.496 -8.233 1.00 0.00 N ATOM 160 CA CYS A 38 78.661 8.164 -7.902 1.00 0.00 C ATOM 161 C CYS A 38 77.150 8.170 -8.148 1.00 0.00 C ATOM 162 O CYS A 38 76.480 9.146 -7.864 1.00 0.00 O ATOM 163 CB CYS A 38 78.972 7.949 -6.425 1.00 0.00 C ATOM 164 SG CYS A 38 80.737 7.610 -6.243 1.00 0.00 S ATOM 0 H CYS A 38 78.874 10.281 -7.710 1.00 0.00 H new ATOM 0 HA CYS A 38 79.066 7.366 -8.525 1.00 0.00 H new ATOM 0 HB2 CYS A 38 78.696 8.832 -5.849 1.00 0.00 H new ATOM 0 HB3 CYS A 38 78.386 7.118 -6.033 1.00 0.00 H new ATOM 169 N TYR A 39 76.622 7.087 -8.673 1.00 0.00 N ATOM 170 CA TYR A 39 75.155 7.019 -8.982 1.00 0.00 C ATOM 171 C TYR A 39 74.362 6.728 -7.705 1.00 0.00 C ATOM 172 O TYR A 39 74.886 6.161 -6.763 1.00 0.00 O ATOM 173 CB TYR A 39 74.995 5.873 -9.985 1.00 0.00 C ATOM 174 CG TYR A 39 73.583 5.708 -10.497 1.00 0.00 C ATOM 175 CD1 TYR A 39 73.160 6.410 -11.668 1.00 0.00 C ATOM 176 CD2 TYR A 39 72.670 4.850 -9.809 1.00 0.00 C ATOM 177 CE1 TYR A 39 71.822 6.255 -12.149 1.00 0.00 C ATOM 178 CE2 TYR A 39 71.334 4.694 -10.291 1.00 0.00 C ATOM 179 CZ TYR A 39 70.909 5.397 -11.461 1.00 0.00 C ATOM 180 OH TYR A 39 69.620 5.246 -11.927 1.00 0.00 O ATOM 0 H TYR A 39 77.147 6.243 -8.902 1.00 0.00 H new ATOM 0 HA TYR A 39 74.781 7.959 -9.387 1.00 0.00 H new ATOM 0 HB2 TYR A 39 75.661 6.046 -10.830 1.00 0.00 H new ATOM 0 HB3 TYR A 39 75.313 4.943 -9.514 1.00 0.00 H new ATOM 0 HD1 TYR A 39 73.850 7.057 -12.189 1.00 0.00 H new ATOM 0 HD2 TYR A 39 72.990 4.319 -8.924 1.00 0.00 H new ATOM 0 HE1 TYR A 39 71.501 6.787 -13.033 1.00 0.00 H new ATOM 0 HE2 TYR A 39 70.645 4.045 -9.771 1.00 0.00 H new ATOM 0 HH TYR A 39 69.132 4.627 -11.344 1.00 0.00 H new ATOM 190 N CYS A 40 73.104 7.113 -7.675 1.00 0.00 N ATOM 191 CA CYS A 40 72.253 6.883 -6.460 1.00 0.00 C ATOM 192 C CYS A 40 71.052 5.993 -6.805 1.00 0.00 C ATOM 193 O CYS A 40 70.465 6.123 -7.866 1.00 0.00 O ATOM 194 CB CYS A 40 71.805 8.281 -5.984 1.00 0.00 C ATOM 195 SG CYS A 40 70.851 9.160 -7.262 1.00 0.00 S ATOM 0 H CYS A 40 72.628 7.580 -8.447 1.00 0.00 H new ATOM 0 HA CYS A 40 72.801 6.364 -5.674 1.00 0.00 H new ATOM 0 HB2 CYS A 40 71.199 8.181 -5.083 1.00 0.00 H new ATOM 0 HB3 CYS A 40 72.681 8.871 -5.715 1.00 0.00 H new ATOM 200 N SER A 41 70.692 5.097 -5.913 1.00 0.00 N ATOM 201 CA SER A 41 69.501 4.220 -6.138 1.00 0.00 C ATOM 202 C SER A 41 68.502 4.382 -4.990 1.00 0.00 C ATOM 203 O SER A 41 68.890 4.462 -3.837 1.00 0.00 O ATOM 204 CB SER A 41 70.058 2.797 -6.167 1.00 0.00 C ATOM 205 OG SER A 41 71.018 2.688 -7.209 1.00 0.00 O ATOM 0 H SER A 41 71.179 4.937 -5.031 1.00 0.00 H new ATOM 0 HA SER A 41 68.971 4.469 -7.057 1.00 0.00 H new ATOM 0 HB2 SER A 41 70.516 2.554 -5.208 1.00 0.00 H new ATOM 0 HB3 SER A 41 69.251 2.082 -6.325 1.00 0.00 H new ATOM 0 HG SER A 41 71.378 1.777 -7.228 1.00 0.00 H new ATOM 211 N GLY A 42 67.227 4.430 -5.303 1.00 0.00 N ATOM 212 CA GLY A 42 66.179 4.564 -4.244 1.00 0.00 C ATOM 213 C GLY A 42 66.185 5.991 -3.691 1.00 0.00 C ATOM 214 O GLY A 42 65.250 6.744 -3.901 1.00 0.00 O ATOM 0 H GLY A 42 66.867 4.381 -6.256 1.00 0.00 H new ATOM 0 HA2 GLY A 42 65.198 4.328 -4.657 1.00 0.00 H new ATOM 0 HA3 GLY A 42 66.367 3.851 -3.441 1.00 0.00 H new ATOM 218 N HIS A 43 67.234 6.359 -2.987 1.00 0.00 N ATOM 219 CA HIS A 43 67.293 7.706 -2.340 1.00 0.00 C ATOM 220 C HIS A 43 68.378 8.569 -2.993 1.00 0.00 C ATOM 221 O HIS A 43 69.525 8.167 -3.083 1.00 0.00 O ATOM 222 CB HIS A 43 67.642 7.427 -0.878 1.00 0.00 C ATOM 223 CG HIS A 43 67.623 8.655 -0.011 1.00 0.00 C ATOM 224 ND1 HIS A 43 66.457 9.354 0.256 1.00 0.00 N ATOM 225 CD2 HIS A 43 68.621 9.321 0.659 1.00 0.00 C ATOM 226 CE1 HIS A 43 66.778 10.389 1.054 1.00 0.00 C ATOM 227 NE2 HIS A 43 68.084 10.416 1.330 1.00 0.00 N ATOM 0 H HIS A 43 68.057 5.776 -2.834 1.00 0.00 H new ATOM 0 HA HIS A 43 66.354 8.250 -2.442 1.00 0.00 H new ATOM 0 HB2 HIS A 43 66.937 6.698 -0.477 1.00 0.00 H new ATOM 0 HB3 HIS A 43 68.632 6.973 -0.829 1.00 0.00 H new ATOM 0 HD2 HIS A 43 69.663 9.038 0.664 1.00 0.00 H new ATOM 0 HE1 HIS A 43 66.066 11.110 1.426 1.00 0.00 H new ATOM 0 HE2 HIS A 43 68.581 11.093 1.908 1.00 0.00 H new ATOM 235 N CYS A 44 68.014 9.748 -3.447 1.00 0.00 N ATOM 236 CA CYS A 44 69.014 10.699 -4.024 1.00 0.00 C ATOM 237 C CYS A 44 68.711 12.124 -3.523 1.00 0.00 C ATOM 238 O CYS A 44 67.554 12.504 -3.486 1.00 0.00 O ATOM 239 CB CYS A 44 68.812 10.601 -5.545 1.00 0.00 C ATOM 240 SG CYS A 44 70.373 10.926 -6.406 1.00 0.00 S ATOM 0 H CYS A 44 67.054 10.093 -3.441 1.00 0.00 H new ATOM 0 HA CYS A 44 70.040 10.467 -3.738 1.00 0.00 H new ATOM 0 HB2 CYS A 44 68.443 9.609 -5.807 1.00 0.00 H new ATOM 0 HB3 CYS A 44 68.055 11.317 -5.866 1.00 0.00 H new ATOM 245 N PRO A 45 69.738 12.886 -3.151 1.00 0.00 N ATOM 246 CA PRO A 45 69.503 14.227 -2.531 1.00 0.00 C ATOM 247 C PRO A 45 68.751 15.158 -3.496 1.00 0.00 C ATOM 248 O PRO A 45 68.873 15.039 -4.702 1.00 0.00 O ATOM 249 CB PRO A 45 70.912 14.760 -2.238 1.00 0.00 C ATOM 250 CG PRO A 45 71.834 13.937 -3.075 1.00 0.00 C ATOM 251 CD PRO A 45 71.181 12.597 -3.258 1.00 0.00 C ATOM 0 HA PRO A 45 68.886 14.168 -1.635 1.00 0.00 H new ATOM 0 HB2 PRO A 45 70.992 15.817 -2.491 1.00 0.00 H new ATOM 0 HB3 PRO A 45 71.154 14.666 -1.179 1.00 0.00 H new ATOM 0 HG2 PRO A 45 72.010 14.415 -4.039 1.00 0.00 H new ATOM 0 HG3 PRO A 45 72.804 13.830 -2.590 1.00 0.00 H new ATOM 0 HD2 PRO A 45 71.430 12.160 -4.225 1.00 0.00 H new ATOM 0 HD3 PRO A 45 71.504 11.888 -2.496 1.00 0.00 H new ATOM 259 N ASP A 46 67.981 16.082 -2.962 1.00 0.00 N ATOM 260 CA ASP A 46 67.086 16.940 -3.819 1.00 0.00 C ATOM 261 C ASP A 46 67.895 17.744 -4.847 1.00 0.00 C ATOM 262 O ASP A 46 67.388 18.086 -5.902 1.00 0.00 O ATOM 263 CB ASP A 46 66.371 17.892 -2.854 1.00 0.00 C ATOM 264 CG ASP A 46 65.228 18.598 -3.585 1.00 0.00 C ATOM 265 OD1 ASP A 46 64.128 18.070 -3.575 1.00 0.00 O ATOM 266 OD2 ASP A 46 65.471 19.655 -4.143 1.00 0.00 O ATOM 0 H ASP A 46 67.932 16.281 -1.963 1.00 0.00 H new ATOM 0 HA ASP A 46 66.386 16.324 -4.385 1.00 0.00 H new ATOM 0 HB2 ASP A 46 65.982 17.337 -2.000 1.00 0.00 H new ATOM 0 HB3 ASP A 46 67.075 18.626 -2.463 1.00 0.00 H new ATOM 271 N ASP A 47 69.141 18.042 -4.546 1.00 0.00 N ATOM 272 CA ASP A 47 69.980 18.869 -5.475 1.00 0.00 C ATOM 273 C ASP A 47 70.785 17.990 -6.453 1.00 0.00 C ATOM 274 O ASP A 47 71.701 18.473 -7.096 1.00 0.00 O ATOM 275 CB ASP A 47 70.913 19.694 -4.570 1.00 0.00 C ATOM 276 CG ASP A 47 71.825 18.786 -3.729 1.00 0.00 C ATOM 277 OD1 ASP A 47 72.616 18.067 -4.318 1.00 0.00 O ATOM 278 OD2 ASP A 47 71.714 18.829 -2.515 1.00 0.00 O ATOM 0 H ASP A 47 69.614 17.746 -3.692 1.00 0.00 H new ATOM 0 HA ASP A 47 69.358 19.509 -6.101 1.00 0.00 H new ATOM 0 HB2 ASP A 47 71.523 20.358 -5.183 1.00 0.00 H new ATOM 0 HB3 ASP A 47 70.318 20.326 -3.911 1.00 0.00 H new ATOM 283 N ALA A 48 70.452 16.720 -6.570 1.00 0.00 N ATOM 284 CA ALA A 48 71.286 15.785 -7.394 1.00 0.00 C ATOM 285 C ALA A 48 70.965 15.956 -8.881 1.00 0.00 C ATOM 286 O ALA A 48 69.935 16.503 -9.236 1.00 0.00 O ATOM 287 CB ALA A 48 70.920 14.372 -6.926 1.00 0.00 C ATOM 0 H ALA A 48 69.637 16.293 -6.129 1.00 0.00 H new ATOM 0 HA ALA A 48 72.351 15.983 -7.270 1.00 0.00 H new ATOM 0 HB1 ALA A 48 71.497 13.640 -7.491 1.00 0.00 H new ATOM 0 HB2 ALA A 48 71.146 14.270 -5.865 1.00 0.00 H new ATOM 0 HB3 ALA A 48 69.856 14.199 -7.089 1.00 0.00 H new ATOM 293 N ILE A 49 71.843 15.489 -9.740 1.00 0.00 N ATOM 294 CA ILE A 49 71.636 15.645 -11.217 1.00 0.00 C ATOM 295 C ILE A 49 71.724 14.266 -11.880 1.00 0.00 C ATOM 296 O ILE A 49 72.543 13.457 -11.498 1.00 0.00 O ATOM 297 CB ILE A 49 72.768 16.577 -11.703 1.00 0.00 C ATOM 298 CG1 ILE A 49 72.683 17.932 -10.989 1.00 0.00 C ATOM 299 CG2 ILE A 49 72.643 16.816 -13.214 1.00 0.00 C ATOM 300 CD1 ILE A 49 73.984 18.709 -11.206 1.00 0.00 C ATOM 0 H ILE A 49 72.701 15.003 -9.478 1.00 0.00 H new ATOM 0 HA ILE A 49 70.662 16.065 -11.467 1.00 0.00 H new ATOM 0 HB ILE A 49 73.722 16.099 -11.479 1.00 0.00 H new ATOM 0 HG12 ILE A 49 71.838 18.504 -11.372 1.00 0.00 H new ATOM 0 HG13 ILE A 49 72.510 17.783 -9.923 1.00 0.00 H new ATOM 0 HG21 ILE A 49 73.446 17.474 -13.546 1.00 0.00 H new ATOM 0 HG22 ILE A 49 72.713 15.864 -13.740 1.00 0.00 H new ATOM 0 HG23 ILE A 49 71.681 17.280 -13.431 1.00 0.00 H new ATOM 0 HD11 ILE A 49 73.922 19.671 -10.698 1.00 0.00 H new ATOM 0 HD12 ILE A 49 74.820 18.139 -10.802 1.00 0.00 H new ATOM 0 HD13 ILE A 49 74.137 18.871 -12.273 1.00 0.00 H new ATOM 312 N ASN A 50 70.874 14.006 -12.859 1.00 0.00 N ATOM 313 CA ASN A 50 70.823 12.678 -13.582 1.00 0.00 C ATOM 314 C ASN A 50 71.037 11.465 -12.648 1.00 0.00 C ATOM 315 O ASN A 50 71.738 10.529 -12.984 1.00 0.00 O ATOM 316 CB ASN A 50 71.893 12.752 -14.688 1.00 0.00 C ATOM 317 CG ASN A 50 73.305 12.865 -14.102 1.00 0.00 C ATOM 318 OD1 ASN A 50 73.762 13.946 -13.788 1.00 0.00 O ATOM 319 ND2 ASN A 50 74.019 11.783 -13.944 1.00 0.00 N ATOM 0 H ASN A 50 70.190 14.683 -13.198 1.00 0.00 H new ATOM 0 HA ASN A 50 69.829 12.516 -14.000 1.00 0.00 H new ATOM 0 HB2 ASN A 50 71.829 11.864 -15.316 1.00 0.00 H new ATOM 0 HB3 ASN A 50 71.695 13.611 -15.329 1.00 0.00 H new ATOM 0 HD21 ASN A 50 74.961 11.845 -13.557 1.00 0.00 H new ATOM 0 HD22 ASN A 50 73.635 10.876 -14.208 1.00 0.00 H new ATOM 326 N ASN A 51 70.426 11.496 -11.477 1.00 0.00 N ATOM 327 CA ASN A 51 70.574 10.388 -10.463 1.00 0.00 C ATOM 328 C ASN A 51 72.054 10.123 -10.131 1.00 0.00 C ATOM 329 O ASN A 51 72.477 8.985 -10.015 1.00 0.00 O ATOM 330 CB ASN A 51 69.915 9.147 -11.087 1.00 0.00 C ATOM 331 CG ASN A 51 68.415 9.395 -11.260 1.00 0.00 C ATOM 332 OD1 ASN A 51 67.880 9.225 -12.338 1.00 0.00 O ATOM 333 ND2 ASN A 51 67.709 9.792 -10.236 1.00 0.00 N ATOM 0 H ASN A 51 69.819 12.258 -11.176 1.00 0.00 H new ATOM 0 HA ASN A 51 70.099 10.656 -9.520 1.00 0.00 H new ATOM 0 HB2 ASN A 51 70.371 8.927 -12.052 1.00 0.00 H new ATOM 0 HB3 ASN A 51 70.079 8.277 -10.451 1.00 0.00 H new ATOM 0 HD21 ASN A 51 66.708 9.960 -10.341 1.00 0.00 H new ATOM 0 HD22 ASN A 51 68.158 9.935 -9.331 1.00 0.00 H new ATOM 340 N THR A 52 72.834 11.172 -9.980 1.00 0.00 N ATOM 341 CA THR A 52 74.251 11.015 -9.520 1.00 0.00 C ATOM 342 C THR A 52 74.621 12.136 -8.544 1.00 0.00 C ATOM 343 O THR A 52 73.960 13.160 -8.492 1.00 0.00 O ATOM 344 CB THR A 52 75.110 11.110 -10.784 1.00 0.00 C ATOM 345 OG1 THR A 52 74.815 12.319 -11.468 1.00 0.00 O ATOM 346 CG2 THR A 52 74.821 9.918 -11.700 1.00 0.00 C ATOM 0 H THR A 52 72.546 12.134 -10.157 1.00 0.00 H new ATOM 0 HA THR A 52 74.402 10.070 -8.999 1.00 0.00 H new ATOM 0 HB THR A 52 76.163 11.098 -10.504 1.00 0.00 H new ATOM 0 HG1 THR A 52 74.033 12.744 -11.058 1.00 0.00 H new ATOM 0 HG21 THR A 52 75.435 9.991 -12.597 1.00 0.00 H new ATOM 0 HG22 THR A 52 75.054 8.991 -11.176 1.00 0.00 H new ATOM 0 HG23 THR A 52 73.768 9.921 -11.980 1.00 0.00 H new ATOM 354 N CYS A 53 75.674 11.941 -7.781 1.00 0.00 N ATOM 355 CA CYS A 53 76.120 12.978 -6.798 1.00 0.00 C ATOM 356 C CYS A 53 77.648 13.109 -6.810 1.00 0.00 C ATOM 357 O CYS A 53 78.347 12.243 -7.303 1.00 0.00 O ATOM 358 CB CYS A 53 75.599 12.522 -5.419 1.00 0.00 C ATOM 359 SG CYS A 53 76.236 10.880 -4.965 1.00 0.00 S ATOM 0 H CYS A 53 76.248 11.098 -7.800 1.00 0.00 H new ATOM 0 HA CYS A 53 75.726 13.963 -7.048 1.00 0.00 H new ATOM 0 HB2 CYS A 53 75.893 13.248 -4.661 1.00 0.00 H new ATOM 0 HB3 CYS A 53 74.509 12.498 -5.432 1.00 0.00 H new ATOM 364 N ILE A 54 78.153 14.188 -6.264 1.00 0.00 N ATOM 365 CA ILE A 54 79.599 14.542 -6.431 1.00 0.00 C ATOM 366 C ILE A 54 80.204 14.829 -5.050 1.00 0.00 C ATOM 367 O ILE A 54 79.696 15.657 -4.313 1.00 0.00 O ATOM 368 CB ILE A 54 79.605 15.808 -7.321 1.00 0.00 C ATOM 369 CG1 ILE A 54 78.961 15.502 -8.683 1.00 0.00 C ATOM 370 CG2 ILE A 54 81.040 16.295 -7.563 1.00 0.00 C ATOM 371 CD1 ILE A 54 78.651 16.812 -9.411 1.00 0.00 C ATOM 0 H ILE A 54 77.617 14.849 -5.701 1.00 0.00 H new ATOM 0 HA ILE A 54 80.188 13.744 -6.884 1.00 0.00 H new ATOM 0 HB ILE A 54 79.038 16.582 -6.803 1.00 0.00 H new ATOM 0 HG12 ILE A 54 79.633 14.890 -9.285 1.00 0.00 H new ATOM 0 HG13 ILE A 54 78.046 14.927 -8.543 1.00 0.00 H new ATOM 0 HG21 ILE A 54 81.021 17.186 -8.191 1.00 0.00 H new ATOM 0 HG22 ILE A 54 81.509 16.534 -6.608 1.00 0.00 H new ATOM 0 HG23 ILE A 54 81.611 15.512 -8.062 1.00 0.00 H new ATOM 0 HD11 ILE A 54 78.195 16.593 -10.376 1.00 0.00 H new ATOM 0 HD12 ILE A 54 77.963 17.408 -8.811 1.00 0.00 H new ATOM 0 HD13 ILE A 54 79.575 17.370 -9.565 1.00 0.00 H new ATOM 383 N THR A 55 81.275 14.150 -4.703 1.00 0.00 N ATOM 384 CA THR A 55 81.895 14.341 -3.349 1.00 0.00 C ATOM 385 C THR A 55 83.424 14.252 -3.418 1.00 0.00 C ATOM 386 O THR A 55 83.978 13.685 -4.341 1.00 0.00 O ATOM 387 CB THR A 55 81.315 13.219 -2.465 1.00 0.00 C ATOM 388 OG1 THR A 55 81.867 13.326 -1.160 1.00 0.00 O ATOM 389 CG2 THR A 55 81.634 11.828 -3.036 1.00 0.00 C ATOM 0 H THR A 55 81.747 13.471 -5.300 1.00 0.00 H new ATOM 0 HA THR A 55 81.670 15.328 -2.945 1.00 0.00 H new ATOM 0 HB THR A 55 80.231 13.333 -2.435 1.00 0.00 H new ATOM 0 HG1 THR A 55 81.404 12.707 -0.557 1.00 0.00 H new ATOM 0 HG21 THR A 55 81.210 11.062 -2.387 1.00 0.00 H new ATOM 0 HG22 THR A 55 81.204 11.737 -4.034 1.00 0.00 H new ATOM 0 HG23 THR A 55 82.715 11.697 -3.093 1.00 0.00 H new ATOM 397 N ASN A 56 84.095 14.819 -2.442 1.00 0.00 N ATOM 398 CA ASN A 56 85.549 14.518 -2.230 1.00 0.00 C ATOM 399 C ASN A 56 85.745 13.686 -0.953 1.00 0.00 C ATOM 400 O ASN A 56 86.777 13.770 -0.308 1.00 0.00 O ATOM 401 CB ASN A 56 86.255 15.883 -2.118 1.00 0.00 C ATOM 402 CG ASN A 56 85.676 16.718 -0.966 1.00 0.00 C ATOM 403 OD1 ASN A 56 84.565 17.202 -1.049 1.00 0.00 O ATOM 404 ND2 ASN A 56 86.389 16.904 0.112 1.00 0.00 N ATOM 0 H ASN A 56 83.695 15.482 -1.778 1.00 0.00 H new ATOM 0 HA ASN A 56 85.962 13.931 -3.051 1.00 0.00 H new ATOM 0 HB2 ASN A 56 87.323 15.731 -1.959 1.00 0.00 H new ATOM 0 HB3 ASN A 56 86.147 16.429 -3.055 1.00 0.00 H new ATOM 0 HD21 ASN A 56 86.013 17.455 0.883 1.00 0.00 H new ATOM 0 HD22 ASN A 56 87.322 16.498 0.183 1.00 0.00 H new ATOM 411 N GLY A 57 84.762 12.889 -0.588 1.00 0.00 N ATOM 412 CA GLY A 57 84.873 12.022 0.626 1.00 0.00 C ATOM 413 C GLY A 57 84.920 10.556 0.192 1.00 0.00 C ATOM 414 O GLY A 57 85.937 10.076 -0.278 1.00 0.00 O ATOM 0 H GLY A 57 83.878 12.805 -1.090 1.00 0.00 H new ATOM 0 HA2 GLY A 57 85.771 12.276 1.189 1.00 0.00 H new ATOM 0 HA3 GLY A 57 84.024 12.191 1.288 1.00 0.00 H new ATOM 418 N HIS A 58 83.824 9.851 0.351 1.00 0.00 N ATOM 419 CA HIS A 58 83.699 8.481 -0.242 1.00 0.00 C ATOM 420 C HIS A 58 82.243 8.233 -0.638 1.00 0.00 C ATOM 421 O HIS A 58 81.342 8.884 -0.140 1.00 0.00 O ATOM 422 CB HIS A 58 84.125 7.480 0.844 1.00 0.00 C ATOM 423 CG HIS A 58 85.443 7.794 1.509 1.00 0.00 C ATOM 424 ND1 HIS A 58 85.577 8.812 2.439 1.00 0.00 N ATOM 425 CD2 HIS A 58 86.689 7.230 1.389 1.00 0.00 C ATOM 426 CE1 HIS A 58 86.861 8.833 2.838 1.00 0.00 C ATOM 427 NE2 HIS A 58 87.584 7.888 2.230 1.00 0.00 N ATOM 0 H HIS A 58 83.005 10.169 0.870 1.00 0.00 H new ATOM 0 HA HIS A 58 84.322 8.375 -1.130 1.00 0.00 H new ATOM 0 HB2 HIS A 58 83.348 7.441 1.608 1.00 0.00 H new ATOM 0 HB3 HIS A 58 84.185 6.486 0.400 1.00 0.00 H new ATOM 0 HD2 HIS A 58 86.938 6.402 0.741 1.00 0.00 H new ATOM 0 HE1 HIS A 58 87.259 9.529 3.562 1.00 0.00 H new ATOM 0 HE2 HIS A 58 88.577 7.691 2.355 1.00 0.00 H new ATOM 435 N CYS A 59 82.017 7.302 -1.532 1.00 0.00 N ATOM 436 CA CYS A 59 80.620 6.934 -1.925 1.00 0.00 C ATOM 437 C CYS A 59 80.180 5.708 -1.128 1.00 0.00 C ATOM 438 O CYS A 59 80.958 4.791 -0.931 1.00 0.00 O ATOM 439 CB CYS A 59 80.677 6.616 -3.424 1.00 0.00 C ATOM 440 SG CYS A 59 81.118 8.106 -4.353 1.00 0.00 S ATOM 0 H CYS A 59 82.748 6.776 -2.011 1.00 0.00 H new ATOM 0 HA CYS A 59 79.907 7.733 -1.723 1.00 0.00 H new ATOM 0 HB2 CYS A 59 81.409 5.830 -3.610 1.00 0.00 H new ATOM 0 HB3 CYS A 59 79.712 6.239 -3.762 1.00 0.00 H new ATOM 445 N PHE A 60 78.948 5.689 -0.672 1.00 0.00 N ATOM 446 CA PHE A 60 78.504 4.622 0.280 1.00 0.00 C ATOM 447 C PHE A 60 77.209 3.962 -0.211 1.00 0.00 C ATOM 448 O PHE A 60 76.470 4.538 -0.992 1.00 0.00 O ATOM 449 CB PHE A 60 78.307 5.329 1.634 1.00 0.00 C ATOM 450 CG PHE A 60 77.113 6.263 1.710 1.00 0.00 C ATOM 451 CD1 PHE A 60 75.843 5.757 2.130 1.00 0.00 C ATOM 452 CD2 PHE A 60 77.251 7.643 1.363 1.00 0.00 C ATOM 453 CE1 PHE A 60 74.714 6.628 2.205 1.00 0.00 C ATOM 454 CE2 PHE A 60 76.120 8.515 1.437 1.00 0.00 C ATOM 455 CZ PHE A 60 74.852 8.008 1.858 1.00 0.00 C ATOM 0 H PHE A 60 78.230 6.369 -0.920 1.00 0.00 H new ATOM 0 HA PHE A 60 79.236 3.819 0.363 1.00 0.00 H new ATOM 0 HB2 PHE A 60 78.204 4.570 2.410 1.00 0.00 H new ATOM 0 HB3 PHE A 60 79.208 5.898 1.863 1.00 0.00 H new ATOM 0 HD1 PHE A 60 75.738 4.714 2.391 1.00 0.00 H new ATOM 0 HD2 PHE A 60 78.209 8.027 1.045 1.00 0.00 H new ATOM 0 HE1 PHE A 60 73.756 6.244 2.524 1.00 0.00 H new ATOM 0 HE2 PHE A 60 76.224 9.557 1.175 1.00 0.00 H new ATOM 0 HZ PHE A 60 73.998 8.667 1.914 1.00 0.00 H new ATOM 465 N ALA A 61 76.944 2.763 0.253 1.00 0.00 N ATOM 466 CA ALA A 61 75.677 2.057 -0.099 1.00 0.00 C ATOM 467 C ALA A 61 75.291 1.118 1.044 1.00 0.00 C ATOM 468 O ALA A 61 76.148 0.525 1.674 1.00 0.00 O ATOM 469 CB ALA A 61 75.999 1.264 -1.367 1.00 0.00 C ATOM 0 H ALA A 61 77.564 2.239 0.870 1.00 0.00 H new ATOM 0 HA ALA A 61 74.842 2.739 -0.259 1.00 0.00 H new ATOM 0 HB1 ALA A 61 75.113 0.716 -1.688 1.00 0.00 H new ATOM 0 HB2 ALA A 61 76.308 1.949 -2.156 1.00 0.00 H new ATOM 0 HB3 ALA A 61 76.806 0.560 -1.161 1.00 0.00 H new ATOM 475 N ILE A 62 74.012 0.983 1.307 1.00 0.00 N ATOM 476 CA ILE A 62 73.558 0.259 2.533 1.00 0.00 C ATOM 477 C ILE A 62 72.296 -0.569 2.232 1.00 0.00 C ATOM 478 O ILE A 62 71.493 -0.204 1.390 1.00 0.00 O ATOM 479 CB ILE A 62 73.297 1.364 3.580 1.00 0.00 C ATOM 480 CG1 ILE A 62 72.901 0.730 4.918 1.00 0.00 C ATOM 481 CG2 ILE A 62 72.180 2.313 3.117 1.00 0.00 C ATOM 482 CD1 ILE A 62 72.999 1.776 6.030 1.00 0.00 C ATOM 0 H ILE A 62 73.261 1.346 0.720 1.00 0.00 H new ATOM 0 HA ILE A 62 74.297 -0.455 2.897 1.00 0.00 H new ATOM 0 HB ILE A 62 74.215 1.940 3.699 1.00 0.00 H new ATOM 0 HG12 ILE A 62 71.885 0.340 4.860 1.00 0.00 H new ATOM 0 HG13 ILE A 62 73.554 -0.114 5.140 1.00 0.00 H new ATOM 0 HG21 ILE A 62 72.018 3.081 3.874 1.00 0.00 H new ATOM 0 HG22 ILE A 62 72.469 2.785 2.178 1.00 0.00 H new ATOM 0 HG23 ILE A 62 71.260 1.748 2.971 1.00 0.00 H new ATOM 0 HD11 ILE A 62 72.717 1.324 6.981 1.00 0.00 H new ATOM 0 HD12 ILE A 62 74.023 2.145 6.093 1.00 0.00 H new ATOM 0 HD13 ILE A 62 72.327 2.606 5.809 1.00 0.00 H new ATOM 494 N ILE A 63 72.136 -1.676 2.921 1.00 0.00 N ATOM 495 CA ILE A 63 70.927 -2.541 2.738 1.00 0.00 C ATOM 496 C ILE A 63 70.428 -3.020 4.112 1.00 0.00 C ATOM 497 O ILE A 63 71.216 -3.275 5.004 1.00 0.00 O ATOM 498 CB ILE A 63 71.389 -3.714 1.845 1.00 0.00 C ATOM 499 CG1 ILE A 63 70.220 -4.673 1.590 1.00 0.00 C ATOM 500 CG2 ILE A 63 72.534 -4.492 2.506 1.00 0.00 C ATOM 501 CD1 ILE A 63 70.564 -5.606 0.426 1.00 0.00 C ATOM 0 H ILE A 63 72.802 -2.020 3.612 1.00 0.00 H new ATOM 0 HA ILE A 63 70.094 -2.015 2.272 1.00 0.00 H new ATOM 0 HB ILE A 63 71.742 -3.296 0.902 1.00 0.00 H new ATOM 0 HG12 ILE A 63 70.013 -5.256 2.487 1.00 0.00 H new ATOM 0 HG13 ILE A 63 69.316 -4.108 1.361 1.00 0.00 H new ATOM 0 HG21 ILE A 63 72.840 -5.312 1.856 1.00 0.00 H new ATOM 0 HG22 ILE A 63 73.380 -3.825 2.670 1.00 0.00 H new ATOM 0 HG23 ILE A 63 72.197 -4.893 3.462 1.00 0.00 H new ATOM 0 HD11 ILE A 63 69.732 -6.286 0.247 1.00 0.00 H new ATOM 0 HD12 ILE A 63 70.749 -5.015 -0.471 1.00 0.00 H new ATOM 0 HD13 ILE A 63 71.456 -6.181 0.672 1.00 0.00 H new ATOM 513 N GLU A 64 69.130 -3.149 4.266 1.00 0.00 N ATOM 514 CA GLU A 64 68.535 -3.394 5.615 1.00 0.00 C ATOM 515 C GLU A 64 67.246 -4.208 5.482 1.00 0.00 C ATOM 516 O GLU A 64 66.468 -3.992 4.569 1.00 0.00 O ATOM 517 CB GLU A 64 68.236 -2.006 6.185 1.00 0.00 C ATOM 518 CG GLU A 64 69.494 -1.435 6.842 1.00 0.00 C ATOM 519 CD GLU A 64 69.235 0.010 7.269 1.00 0.00 C ATOM 520 OE1 GLU A 64 69.482 0.898 6.470 1.00 0.00 O ATOM 521 OE2 GLU A 64 68.794 0.205 8.391 1.00 0.00 O ATOM 0 H GLU A 64 68.453 -3.094 3.505 1.00 0.00 H new ATOM 0 HA GLU A 64 69.206 -3.959 6.262 1.00 0.00 H new ATOM 0 HB2 GLU A 64 67.896 -1.342 5.390 1.00 0.00 H new ATOM 0 HB3 GLU A 64 67.429 -2.069 6.915 1.00 0.00 H new ATOM 0 HG2 GLU A 64 69.770 -2.037 7.707 1.00 0.00 H new ATOM 0 HG3 GLU A 64 70.331 -1.475 6.145 1.00 0.00 H new ATOM 528 N GLU A 65 67.024 -5.134 6.388 1.00 0.00 N ATOM 529 CA GLU A 65 65.794 -5.983 6.342 1.00 0.00 C ATOM 530 C GLU A 65 64.770 -5.477 7.363 1.00 0.00 C ATOM 531 O GLU A 65 65.015 -5.500 8.557 1.00 0.00 O ATOM 532 CB GLU A 65 66.291 -7.387 6.708 1.00 0.00 C ATOM 533 CG GLU A 65 65.151 -8.412 6.595 1.00 0.00 C ATOM 534 CD GLU A 65 64.406 -8.536 7.933 1.00 0.00 C ATOM 535 OE1 GLU A 65 65.045 -8.421 8.967 1.00 0.00 O ATOM 536 OE2 GLU A 65 63.208 -8.759 7.896 1.00 0.00 O ATOM 0 H GLU A 65 67.652 -5.338 7.165 1.00 0.00 H new ATOM 0 HA GLU A 65 65.298 -5.965 5.372 1.00 0.00 H new ATOM 0 HB2 GLU A 65 67.110 -7.672 6.048 1.00 0.00 H new ATOM 0 HB3 GLU A 65 66.686 -7.385 7.724 1.00 0.00 H new ATOM 0 HG2 GLU A 65 64.457 -8.108 5.812 1.00 0.00 H new ATOM 0 HG3 GLU A 65 65.554 -9.382 6.305 1.00 0.00 H new ATOM 543 N ASP A 66 63.628 -5.024 6.893 1.00 0.00 N ATOM 544 CA ASP A 66 62.606 -4.414 7.806 1.00 0.00 C ATOM 545 C ASP A 66 61.693 -5.499 8.396 1.00 0.00 C ATOM 546 O ASP A 66 61.790 -6.655 8.034 1.00 0.00 O ATOM 547 CB ASP A 66 61.807 -3.413 6.948 1.00 0.00 C ATOM 548 CG ASP A 66 61.116 -4.112 5.768 1.00 0.00 C ATOM 549 OD1 ASP A 66 60.292 -4.976 6.015 1.00 0.00 O ATOM 550 OD2 ASP A 66 61.424 -3.766 4.639 1.00 0.00 O ATOM 0 H ASP A 66 63.360 -5.051 5.909 1.00 0.00 H new ATOM 0 HA ASP A 66 63.074 -3.911 8.653 1.00 0.00 H new ATOM 0 HB2 ASP A 66 61.060 -2.917 7.567 1.00 0.00 H new ATOM 0 HB3 ASP A 66 62.476 -2.638 6.573 1.00 0.00 H new ATOM 555 N ASP A 67 60.809 -5.120 9.291 1.00 0.00 N ATOM 556 CA ASP A 67 59.983 -6.133 10.042 1.00 0.00 C ATOM 557 C ASP A 67 59.114 -6.982 9.098 1.00 0.00 C ATOM 558 O ASP A 67 58.639 -8.035 9.489 1.00 0.00 O ATOM 559 CB ASP A 67 59.090 -5.325 10.992 1.00 0.00 C ATOM 560 CG ASP A 67 59.956 -4.623 12.040 1.00 0.00 C ATOM 561 OD1 ASP A 67 60.847 -5.265 12.573 1.00 0.00 O ATOM 562 OD2 ASP A 67 59.715 -3.454 12.291 1.00 0.00 O ATOM 0 H ASP A 67 60.621 -4.148 9.537 1.00 0.00 H new ATOM 0 HA ASP A 67 60.630 -6.831 10.573 1.00 0.00 H new ATOM 0 HB2 ASP A 67 58.515 -4.590 10.429 1.00 0.00 H new ATOM 0 HB3 ASP A 67 58.373 -5.984 11.481 1.00 0.00 H new ATOM 567 N GLN A 68 58.903 -6.541 7.875 1.00 0.00 N ATOM 568 CA GLN A 68 58.100 -7.348 6.897 1.00 0.00 C ATOM 569 C GLN A 68 58.994 -8.265 6.039 1.00 0.00 C ATOM 570 O GLN A 68 58.489 -9.124 5.338 1.00 0.00 O ATOM 571 CB GLN A 68 57.390 -6.321 6.014 1.00 0.00 C ATOM 572 CG GLN A 68 56.301 -5.614 6.824 1.00 0.00 C ATOM 573 CD GLN A 68 55.579 -4.602 5.934 1.00 0.00 C ATOM 574 OE1 GLN A 68 56.050 -3.497 5.746 1.00 0.00 O ATOM 575 NE2 GLN A 68 54.446 -4.932 5.376 1.00 0.00 N ATOM 0 H GLN A 68 59.254 -5.654 7.513 1.00 0.00 H new ATOM 0 HA GLN A 68 57.402 -8.007 7.414 1.00 0.00 H new ATOM 0 HB2 GLN A 68 58.108 -5.592 5.637 1.00 0.00 H new ATOM 0 HB3 GLN A 68 56.950 -6.814 5.147 1.00 0.00 H new ATOM 0 HG2 GLN A 68 55.591 -6.344 7.213 1.00 0.00 H new ATOM 0 HG3 GLN A 68 56.742 -5.109 7.683 1.00 0.00 H new ATOM 0 HE21 GLN A 68 54.051 -5.859 5.534 1.00 0.00 H new ATOM 0 HE22 GLN A 68 53.956 -4.263 4.782 1.00 0.00 H new ATOM 584 N GLY A 69 60.300 -8.092 6.087 1.00 0.00 N ATOM 585 CA GLY A 69 61.226 -9.002 5.341 1.00 0.00 C ATOM 586 C GLY A 69 61.499 -8.474 3.924 1.00 0.00 C ATOM 587 O GLY A 69 61.892 -9.232 3.055 1.00 0.00 O ATOM 0 H GLY A 69 60.763 -7.353 6.616 1.00 0.00 H new ATOM 0 HA2 GLY A 69 62.166 -9.095 5.885 1.00 0.00 H new ATOM 0 HA3 GLY A 69 60.791 -10.000 5.283 1.00 0.00 H new ATOM 591 N GLU A 70 61.291 -7.195 3.681 1.00 0.00 N ATOM 592 CA GLU A 70 61.750 -6.576 2.398 1.00 0.00 C ATOM 593 C GLU A 70 63.096 -5.877 2.612 1.00 0.00 C ATOM 594 O GLU A 70 63.329 -5.289 3.653 1.00 0.00 O ATOM 595 CB GLU A 70 60.667 -5.558 2.034 1.00 0.00 C ATOM 596 CG GLU A 70 59.374 -6.290 1.676 1.00 0.00 C ATOM 597 CD GLU A 70 58.315 -5.277 1.237 1.00 0.00 C ATOM 598 OE1 GLU A 70 57.768 -4.611 2.101 1.00 0.00 O ATOM 599 OE2 GLU A 70 58.072 -5.183 0.046 1.00 0.00 O ATOM 0 H GLU A 70 60.821 -6.555 4.322 1.00 0.00 H new ATOM 0 HA GLU A 70 61.891 -7.313 1.608 1.00 0.00 H new ATOM 0 HB2 GLU A 70 60.494 -4.881 2.871 1.00 0.00 H new ATOM 0 HB3 GLU A 70 60.996 -4.947 1.193 1.00 0.00 H new ATOM 0 HG2 GLU A 70 59.560 -7.007 0.876 1.00 0.00 H new ATOM 0 HG3 GLU A 70 59.015 -6.857 2.535 1.00 0.00 H new ATOM 606 N THR A 71 63.971 -5.944 1.633 1.00 0.00 N ATOM 607 CA THR A 71 65.295 -5.251 1.740 1.00 0.00 C ATOM 608 C THR A 71 65.227 -3.873 1.079 1.00 0.00 C ATOM 609 O THR A 71 64.800 -3.747 -0.056 1.00 0.00 O ATOM 610 CB THR A 71 66.289 -6.149 0.998 1.00 0.00 C ATOM 611 OG1 THR A 71 65.723 -6.579 -0.234 1.00 0.00 O ATOM 612 CG2 THR A 71 66.621 -7.366 1.863 1.00 0.00 C ATOM 0 H THR A 71 63.823 -6.452 0.761 1.00 0.00 H new ATOM 0 HA THR A 71 65.588 -5.095 2.778 1.00 0.00 H new ATOM 0 HB THR A 71 67.201 -5.587 0.796 1.00 0.00 H new ATOM 0 HG1 THR A 71 65.299 -5.818 -0.683 1.00 0.00 H new ATOM 0 HG21 THR A 71 67.329 -8.005 1.335 1.00 0.00 H new ATOM 0 HG22 THR A 71 67.063 -7.035 2.803 1.00 0.00 H new ATOM 0 HG23 THR A 71 65.709 -7.926 2.068 1.00 0.00 H new ATOM 620 N THR A 72 65.647 -2.848 1.787 1.00 0.00 N ATOM 621 CA THR A 72 65.670 -1.470 1.205 1.00 0.00 C ATOM 622 C THR A 72 67.077 -1.130 0.704 1.00 0.00 C ATOM 623 O THR A 72 68.006 -1.020 1.481 1.00 0.00 O ATOM 624 CB THR A 72 65.274 -0.542 2.357 1.00 0.00 C ATOM 625 OG1 THR A 72 66.022 -0.876 3.517 1.00 0.00 O ATOM 626 CG2 THR A 72 63.780 -0.701 2.645 1.00 0.00 C ATOM 0 H THR A 72 65.977 -2.911 2.750 1.00 0.00 H new ATOM 0 HA THR A 72 64.996 -1.373 0.354 1.00 0.00 H new ATOM 0 HB THR A 72 65.483 0.491 2.081 1.00 0.00 H new ATOM 0 HG1 THR A 72 66.938 -1.110 3.259 1.00 0.00 H new ATOM 0 HG21 THR A 72 63.495 -0.041 3.465 1.00 0.00 H new ATOM 0 HG22 THR A 72 63.208 -0.441 1.754 1.00 0.00 H new ATOM 0 HG23 THR A 72 63.571 -1.734 2.921 1.00 0.00 H new ATOM 634 N LEU A 73 67.225 -0.964 -0.593 1.00 0.00 N ATOM 635 CA LEU A 73 68.559 -0.622 -1.178 1.00 0.00 C ATOM 636 C LEU A 73 68.671 0.889 -1.393 1.00 0.00 C ATOM 637 O LEU A 73 67.846 1.483 -2.065 1.00 0.00 O ATOM 638 CB LEU A 73 68.606 -1.353 -2.522 1.00 0.00 C ATOM 639 CG LEU A 73 68.642 -2.865 -2.286 1.00 0.00 C ATOM 640 CD1 LEU A 73 68.372 -3.594 -3.604 1.00 0.00 C ATOM 641 CD2 LEU A 73 70.021 -3.266 -1.756 1.00 0.00 C ATOM 0 H LEU A 73 66.470 -1.052 -1.274 1.00 0.00 H new ATOM 0 HA LEU A 73 69.380 -0.915 -0.524 1.00 0.00 H new ATOM 0 HB2 LEU A 73 67.734 -1.089 -3.121 1.00 0.00 H new ATOM 0 HB3 LEU A 73 69.486 -1.042 -3.085 1.00 0.00 H new ATOM 0 HG LEU A 73 67.879 -3.137 -1.557 1.00 0.00 H new ATOM 0 HD11 LEU A 73 68.398 -4.671 -3.436 1.00 0.00 H new ATOM 0 HD12 LEU A 73 67.391 -3.309 -3.983 1.00 0.00 H new ATOM 0 HD13 LEU A 73 69.135 -3.322 -4.333 1.00 0.00 H new ATOM 0 HD21 LEU A 73 70.047 -4.343 -1.588 1.00 0.00 H new ATOM 0 HD22 LEU A 73 70.784 -2.994 -2.485 1.00 0.00 H new ATOM 0 HD23 LEU A 73 70.215 -2.747 -0.817 1.00 0.00 H new ATOM 653 N ALA A 74 69.684 1.506 -0.824 1.00 0.00 N ATOM 654 CA ALA A 74 69.889 2.977 -1.013 1.00 0.00 C ATOM 655 C ALA A 74 71.384 3.308 -1.058 1.00 0.00 C ATOM 656 O ALA A 74 72.186 2.653 -0.418 1.00 0.00 O ATOM 657 CB ALA A 74 69.235 3.626 0.209 1.00 0.00 C ATOM 0 H ALA A 74 70.380 1.049 -0.234 1.00 0.00 H new ATOM 0 HA ALA A 74 69.459 3.335 -1.948 1.00 0.00 H new ATOM 0 HB1 ALA A 74 69.342 4.709 0.147 1.00 0.00 H new ATOM 0 HB2 ALA A 74 68.177 3.367 0.236 1.00 0.00 H new ATOM 0 HB3 ALA A 74 69.720 3.265 1.116 1.00 0.00 H new ATOM 663 N SER A 75 71.749 4.318 -1.816 1.00 0.00 N ATOM 664 CA SER A 75 73.174 4.774 -1.860 1.00 0.00 C ATOM 665 C SER A 75 73.225 6.299 -1.989 1.00 0.00 C ATOM 666 O SER A 75 72.230 6.927 -2.311 1.00 0.00 O ATOM 667 CB SER A 75 73.775 4.102 -3.094 1.00 0.00 C ATOM 668 OG SER A 75 73.169 4.635 -4.263 1.00 0.00 O ATOM 0 H SER A 75 71.113 4.849 -2.411 1.00 0.00 H new ATOM 0 HA SER A 75 73.724 4.511 -0.957 1.00 0.00 H new ATOM 0 HB2 SER A 75 74.852 4.266 -3.123 1.00 0.00 H new ATOM 0 HB3 SER A 75 73.617 3.024 -3.048 1.00 0.00 H new ATOM 0 HG SER A 75 73.554 4.207 -5.056 1.00 0.00 H new ATOM 674 N GLY A 76 74.373 6.890 -1.740 1.00 0.00 N ATOM 675 CA GLY A 76 74.492 8.381 -1.798 1.00 0.00 C ATOM 676 C GLY A 76 75.955 8.802 -1.617 1.00 0.00 C ATOM 677 O GLY A 76 76.834 7.968 -1.476 1.00 0.00 O ATOM 0 H GLY A 76 75.234 6.400 -1.498 1.00 0.00 H new ATOM 0 HA2 GLY A 76 74.116 8.746 -2.754 1.00 0.00 H new ATOM 0 HA3 GLY A 76 73.877 8.833 -1.020 1.00 0.00 H new ATOM 681 N CYS A 77 76.208 10.092 -1.625 1.00 0.00 N ATOM 682 CA CYS A 77 77.606 10.612 -1.498 1.00 0.00 C ATOM 683 C CYS A 77 77.875 11.069 -0.060 1.00 0.00 C ATOM 684 O CYS A 77 77.068 11.766 0.531 1.00 0.00 O ATOM 685 CB CYS A 77 77.661 11.808 -2.451 1.00 0.00 C ATOM 686 SG CYS A 77 78.043 11.250 -4.132 1.00 0.00 S ATOM 0 H CYS A 77 75.494 10.814 -1.715 1.00 0.00 H new ATOM 0 HA CYS A 77 78.353 9.855 -1.736 1.00 0.00 H new ATOM 0 HB2 CYS A 77 76.706 12.334 -2.442 1.00 0.00 H new ATOM 0 HB3 CYS A 77 78.418 12.516 -2.114 1.00 0.00 H new ATOM 691 N MET A 78 79.002 10.679 0.498 1.00 0.00 N ATOM 692 CA MET A 78 79.382 11.142 1.870 1.00 0.00 C ATOM 693 C MET A 78 80.389 12.293 1.779 1.00 0.00 C ATOM 694 O MET A 78 81.442 12.150 1.182 1.00 0.00 O ATOM 695 CB MET A 78 80.024 9.925 2.538 1.00 0.00 C ATOM 696 CG MET A 78 79.938 10.069 4.059 1.00 0.00 C ATOM 697 SD MET A 78 80.557 8.561 4.846 1.00 0.00 S ATOM 698 CE MET A 78 79.155 7.492 4.435 1.00 0.00 C ATOM 0 H MET A 78 79.677 10.055 0.056 1.00 0.00 H new ATOM 0 HA MET A 78 78.524 11.511 2.432 1.00 0.00 H new ATOM 0 HB2 MET A 78 79.518 9.014 2.220 1.00 0.00 H new ATOM 0 HB3 MET A 78 81.066 9.835 2.229 1.00 0.00 H new ATOM 0 HG2 MET A 78 80.522 10.929 4.387 1.00 0.00 H new ATOM 0 HG3 MET A 78 78.906 10.251 4.360 1.00 0.00 H new ATOM 0 HE1 MET A 78 78.724 7.089 5.351 1.00 0.00 H new ATOM 0 HE2 MET A 78 78.400 8.071 3.903 1.00 0.00 H new ATOM 0 HE3 MET A 78 79.496 6.672 3.803 1.00 0.00 H new ATOM 708 N LYS A 79 80.067 13.425 2.368 1.00 0.00 N ATOM 709 CA LYS A 79 81.026 14.584 2.384 1.00 0.00 C ATOM 710 C LYS A 79 82.276 14.233 3.206 1.00 0.00 C ATOM 711 O LYS A 79 82.318 13.211 3.870 1.00 0.00 O ATOM 712 CB LYS A 79 80.265 15.774 3.004 1.00 0.00 C ATOM 713 CG LYS A 79 79.813 15.462 4.440 1.00 0.00 C ATOM 714 CD LYS A 79 79.218 16.723 5.071 1.00 0.00 C ATOM 715 CE LYS A 79 79.282 16.615 6.596 1.00 0.00 C ATOM 716 NZ LYS A 79 79.293 18.024 7.078 1.00 0.00 N ATOM 0 H LYS A 79 79.179 13.597 2.840 1.00 0.00 H new ATOM 0 HA LYS A 79 81.370 14.831 1.380 1.00 0.00 H new ATOM 0 HB2 LYS A 79 80.905 16.656 3.006 1.00 0.00 H new ATOM 0 HB3 LYS A 79 79.396 16.012 2.391 1.00 0.00 H new ATOM 0 HG2 LYS A 79 79.074 14.661 4.434 1.00 0.00 H new ATOM 0 HG3 LYS A 79 80.659 15.111 5.031 1.00 0.00 H new ATOM 0 HD2 LYS A 79 79.767 17.603 4.736 1.00 0.00 H new ATOM 0 HD3 LYS A 79 78.185 16.850 4.749 1.00 0.00 H new ATOM 0 HE2 LYS A 79 78.425 16.069 6.990 1.00 0.00 H new ATOM 0 HE3 LYS A 79 80.176 16.080 6.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 79.336 18.035 8.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 80.124 18.517 6.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 78.427 18.506 6.762 1.00 0.00 H new ATOM 730 N TYR A 80 83.286 15.076 3.160 1.00 0.00 N ATOM 731 CA TYR A 80 84.554 14.802 3.922 1.00 0.00 C ATOM 732 C TYR A 80 84.288 14.831 5.431 1.00 0.00 C ATOM 733 O TYR A 80 83.481 15.611 5.906 1.00 0.00 O ATOM 734 CB TYR A 80 85.528 15.920 3.538 1.00 0.00 C ATOM 735 CG TYR A 80 86.927 15.708 4.067 1.00 0.00 C ATOM 736 CD1 TYR A 80 87.851 14.899 3.336 1.00 0.00 C ATOM 737 CD2 TYR A 80 87.326 16.316 5.298 1.00 0.00 C ATOM 738 CE1 TYR A 80 89.175 14.699 3.836 1.00 0.00 C ATOM 739 CE2 TYR A 80 88.650 16.114 5.797 1.00 0.00 C ATOM 740 CZ TYR A 80 89.575 15.304 5.066 1.00 0.00 C ATOM 741 OH TYR A 80 90.853 15.110 5.550 1.00 0.00 O ATOM 0 H TYR A 80 83.287 15.945 2.626 1.00 0.00 H new ATOM 0 HA TYR A 80 84.956 13.818 3.682 1.00 0.00 H new ATOM 0 HB2 TYR A 80 85.567 16.000 2.452 1.00 0.00 H new ATOM 0 HB3 TYR A 80 85.146 16.869 3.914 1.00 0.00 H new ATOM 0 HD1 TYR A 80 87.549 14.439 2.407 1.00 0.00 H new ATOM 0 HD2 TYR A 80 86.628 16.927 5.850 1.00 0.00 H new ATOM 0 HE1 TYR A 80 89.874 14.089 3.283 1.00 0.00 H new ATOM 0 HE2 TYR A 80 88.952 16.573 6.727 1.00 0.00 H new ATOM 0 HH TYR A 80 90.959 15.593 6.396 1.00 0.00 H new ATOM 751 N GLU A 81 84.966 13.985 6.173 1.00 0.00 N ATOM 752 CA GLU A 81 84.751 13.914 7.652 1.00 0.00 C ATOM 753 C GLU A 81 86.053 13.530 8.360 1.00 0.00 C ATOM 754 O GLU A 81 86.443 14.160 9.327 1.00 0.00 O ATOM 755 CB GLU A 81 83.695 12.823 7.849 1.00 0.00 C ATOM 756 CG GLU A 81 82.354 13.297 7.286 1.00 0.00 C ATOM 757 CD GLU A 81 81.241 12.353 7.749 1.00 0.00 C ATOM 758 OE1 GLU A 81 81.228 12.010 8.920 1.00 0.00 O ATOM 759 OE2 GLU A 81 80.419 11.989 6.924 1.00 0.00 O ATOM 0 H GLU A 81 85.665 13.336 5.812 1.00 0.00 H new ATOM 0 HA GLU A 81 84.433 14.870 8.067 1.00 0.00 H new ATOM 0 HB2 GLU A 81 84.007 11.906 7.348 1.00 0.00 H new ATOM 0 HB3 GLU A 81 83.593 12.589 8.909 1.00 0.00 H new ATOM 0 HG2 GLU A 81 82.146 14.313 7.621 1.00 0.00 H new ATOM 0 HG3 GLU A 81 82.394 13.322 6.197 1.00 0.00 H new ATOM 766 N GLY A 82 86.718 12.503 7.879 1.00 0.00 N ATOM 767 CA GLY A 82 87.983 12.034 8.524 1.00 0.00 C ATOM 768 C GLY A 82 88.110 10.516 8.368 1.00 0.00 C ATOM 769 O GLY A 82 89.201 9.998 8.203 1.00 0.00 O ATOM 0 H GLY A 82 86.433 11.967 7.059 1.00 0.00 H new ATOM 0 HA2 GLY A 82 88.840 12.529 8.068 1.00 0.00 H new ATOM 0 HA3 GLY A 82 87.985 12.302 9.581 1.00 0.00 H new ATOM 773 N SER A 83 87.002 9.808 8.420 1.00 0.00 N ATOM 774 CA SER A 83 87.039 8.313 8.281 1.00 0.00 C ATOM 775 C SER A 83 87.328 7.929 6.827 1.00 0.00 C ATOM 776 O SER A 83 86.613 8.328 5.922 1.00 0.00 O ATOM 777 CB SER A 83 85.650 7.817 8.697 1.00 0.00 C ATOM 778 OG SER A 83 85.408 8.177 10.050 1.00 0.00 O ATOM 0 H SER A 83 86.071 10.203 8.553 1.00 0.00 H new ATOM 0 HA SER A 83 87.821 7.870 8.898 1.00 0.00 H new ATOM 0 HB2 SER A 83 84.887 8.252 8.051 1.00 0.00 H new ATOM 0 HB3 SER A 83 85.588 6.735 8.580 1.00 0.00 H new ATOM 0 HG SER A 83 85.590 7.409 10.631 1.00 0.00 H new ATOM 784 N ASP A 84 88.369 7.158 6.605 1.00 0.00 N ATOM 785 CA ASP A 84 88.735 6.744 5.209 1.00 0.00 C ATOM 786 C ASP A 84 87.819 5.611 4.736 1.00 0.00 C ATOM 787 O ASP A 84 87.309 5.644 3.629 1.00 0.00 O ATOM 788 CB ASP A 84 90.188 6.259 5.282 1.00 0.00 C ATOM 789 CG ASP A 84 91.105 7.434 5.628 1.00 0.00 C ATOM 790 OD1 ASP A 84 90.930 8.490 5.043 1.00 0.00 O ATOM 791 OD2 ASP A 84 91.968 7.256 6.472 1.00 0.00 O ATOM 0 H ASP A 84 88.984 6.796 7.334 1.00 0.00 H new ATOM 0 HA ASP A 84 88.623 7.567 4.503 1.00 0.00 H new ATOM 0 HB2 ASP A 84 90.283 5.476 6.035 1.00 0.00 H new ATOM 0 HB3 ASP A 84 90.484 5.822 4.328 1.00 0.00 H new ATOM 796 N PHE A 85 87.611 4.615 5.570 1.00 0.00 N ATOM 797 CA PHE A 85 86.737 3.462 5.190 1.00 0.00 C ATOM 798 C PHE A 85 86.172 2.783 6.444 1.00 0.00 C ATOM 799 O PHE A 85 85.978 1.579 6.464 1.00 0.00 O ATOM 800 CB PHE A 85 87.645 2.510 4.402 1.00 0.00 C ATOM 801 CG PHE A 85 88.843 2.010 5.181 1.00 0.00 C ATOM 802 CD1 PHE A 85 90.073 2.739 5.148 1.00 0.00 C ATOM 803 CD2 PHE A 85 88.745 0.809 5.949 1.00 0.00 C ATOM 804 CE1 PHE A 85 91.203 2.266 5.883 1.00 0.00 C ATOM 805 CE2 PHE A 85 89.877 0.337 6.685 1.00 0.00 C ATOM 806 CZ PHE A 85 91.105 1.065 6.651 1.00 0.00 C ATOM 0 H PHE A 85 88.014 4.555 6.505 1.00 0.00 H new ATOM 0 HA PHE A 85 85.877 3.773 4.597 1.00 0.00 H new ATOM 0 HB2 PHE A 85 87.056 1.654 4.073 1.00 0.00 H new ATOM 0 HB3 PHE A 85 87.996 3.020 3.505 1.00 0.00 H new ATOM 0 HD1 PHE A 85 90.148 3.647 4.568 1.00 0.00 H new ATOM 0 HD2 PHE A 85 87.817 0.258 5.974 1.00 0.00 H new ATOM 0 HE1 PHE A 85 92.132 2.816 5.858 1.00 0.00 H new ATOM 0 HE2 PHE A 85 89.803 -0.570 7.266 1.00 0.00 H new ATOM 0 HZ PHE A 85 91.960 0.708 7.206 1.00 0.00 H new ATOM 816 N GLN A 86 85.910 3.549 7.480 1.00 0.00 N ATOM 817 CA GLN A 86 85.337 2.966 8.739 1.00 0.00 C ATOM 818 C GLN A 86 83.841 2.664 8.546 1.00 0.00 C ATOM 819 O GLN A 86 82.984 3.262 9.179 1.00 0.00 O ATOM 820 CB GLN A 86 85.557 4.029 9.827 1.00 0.00 C ATOM 821 CG GLN A 86 87.057 4.194 10.084 1.00 0.00 C ATOM 822 CD GLN A 86 87.278 5.242 11.176 1.00 0.00 C ATOM 823 OE1 GLN A 86 86.584 6.239 11.228 1.00 0.00 O ATOM 824 NE2 GLN A 86 88.222 5.060 12.057 1.00 0.00 N ATOM 0 H GLN A 86 86.069 4.556 7.508 1.00 0.00 H new ATOM 0 HA GLN A 86 85.814 2.025 9.012 1.00 0.00 H new ATOM 0 HB2 GLN A 86 85.124 4.979 9.515 1.00 0.00 H new ATOM 0 HB3 GLN A 86 85.050 3.734 10.746 1.00 0.00 H new ATOM 0 HG2 GLN A 86 87.491 3.241 10.387 1.00 0.00 H new ATOM 0 HG3 GLN A 86 87.562 4.497 9.167 1.00 0.00 H new ATOM 0 HE21 GLN A 86 88.805 4.224 12.015 1.00 0.00 H new ATOM 0 HE22 GLN A 86 88.377 5.754 12.789 1.00 0.00 H new ATOM 833 N CYS A 87 83.531 1.734 7.669 1.00 0.00 N ATOM 834 CA CYS A 87 82.104 1.374 7.397 1.00 0.00 C ATOM 835 C CYS A 87 81.808 -0.042 7.906 1.00 0.00 C ATOM 836 O CYS A 87 81.016 -0.762 7.322 1.00 0.00 O ATOM 837 CB CYS A 87 81.966 1.442 5.874 1.00 0.00 C ATOM 838 SG CYS A 87 82.068 3.167 5.334 1.00 0.00 S ATOM 0 H CYS A 87 84.214 1.206 7.127 1.00 0.00 H new ATOM 0 HA CYS A 87 81.404 2.041 7.900 1.00 0.00 H new ATOM 0 HB2 CYS A 87 82.753 0.855 5.400 1.00 0.00 H new ATOM 0 HB3 CYS A 87 81.015 1.009 5.565 1.00 0.00 H new ATOM 843 N LYS A 88 82.440 -0.434 8.991 1.00 0.00 N ATOM 844 CA LYS A 88 82.233 -1.815 9.542 1.00 0.00 C ATOM 845 C LYS A 88 80.942 -1.871 10.364 1.00 0.00 C ATOM 846 O LYS A 88 80.339 -0.852 10.645 1.00 0.00 O ATOM 847 CB LYS A 88 83.447 -2.091 10.438 1.00 0.00 C ATOM 848 CG LYS A 88 84.710 -2.171 9.579 1.00 0.00 C ATOM 849 CD LYS A 88 85.901 -2.557 10.458 1.00 0.00 C ATOM 850 CE LYS A 88 87.186 -2.507 9.627 1.00 0.00 C ATOM 851 NZ LYS A 88 87.166 -3.756 8.816 1.00 0.00 N ATOM 0 H LYS A 88 83.092 0.145 9.520 1.00 0.00 H new ATOM 0 HA LYS A 88 82.142 -2.556 8.748 1.00 0.00 H new ATOM 0 HB2 LYS A 88 83.550 -1.301 11.182 1.00 0.00 H new ATOM 0 HB3 LYS A 88 83.305 -3.025 10.982 1.00 0.00 H new ATOM 0 HG2 LYS A 88 84.577 -2.906 8.785 1.00 0.00 H new ATOM 0 HG3 LYS A 88 84.896 -1.211 9.097 1.00 0.00 H new ATOM 0 HD2 LYS A 88 85.977 -1.876 11.306 1.00 0.00 H new ATOM 0 HD3 LYS A 88 85.757 -3.558 10.865 1.00 0.00 H new ATOM 0 HE2 LYS A 88 87.211 -1.623 8.990 1.00 0.00 H new ATOM 0 HE3 LYS A 88 88.068 -2.465 10.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 88.066 -4.263 8.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 86.381 -4.362 9.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 87.037 -3.516 7.812 1.00 0.00 H new ATOM 865 N ASP A 89 80.525 -3.058 10.745 1.00 0.00 N ATOM 866 CA ASP A 89 79.282 -3.214 11.562 1.00 0.00 C ATOM 867 C ASP A 89 79.644 -3.638 12.987 1.00 0.00 C ATOM 868 O ASP A 89 80.437 -4.542 13.184 1.00 0.00 O ATOM 869 CB ASP A 89 78.480 -4.313 10.862 1.00 0.00 C ATOM 870 CG ASP A 89 77.995 -3.809 9.501 1.00 0.00 C ATOM 871 OD1 ASP A 89 77.514 -2.689 9.441 1.00 0.00 O ATOM 872 OD2 ASP A 89 78.114 -4.552 8.540 1.00 0.00 O ATOM 0 H ASP A 89 81.000 -3.932 10.521 1.00 0.00 H new ATOM 0 HA ASP A 89 78.716 -2.286 11.638 1.00 0.00 H new ATOM 0 HB2 ASP A 89 79.098 -5.201 10.733 1.00 0.00 H new ATOM 0 HB3 ASP A 89 77.629 -4.604 11.478 1.00 0.00 H new ATOM 877 N SER A 90 79.064 -2.990 13.974 1.00 0.00 N ATOM 878 CA SER A 90 79.438 -3.274 15.397 1.00 0.00 C ATOM 879 C SER A 90 78.760 -4.571 15.874 1.00 0.00 C ATOM 880 O SER A 90 77.629 -4.823 15.500 1.00 0.00 O ATOM 881 CB SER A 90 78.926 -2.078 16.209 1.00 0.00 C ATOM 882 OG SER A 90 79.724 -1.924 17.374 1.00 0.00 O ATOM 0 H SER A 90 78.346 -2.275 13.853 1.00 0.00 H new ATOM 0 HA SER A 90 80.514 -3.407 15.513 1.00 0.00 H new ATOM 0 HB2 SER A 90 78.965 -1.171 15.606 1.00 0.00 H new ATOM 0 HB3 SER A 90 77.883 -2.232 16.487 1.00 0.00 H new ATOM 0 HG SER A 90 79.400 -1.159 17.894 1.00 0.00 H new ATOM 888 N PRO A 91 79.453 -5.364 16.681 1.00 0.00 N ATOM 889 CA PRO A 91 78.818 -6.570 17.293 1.00 0.00 C ATOM 890 C PRO A 91 77.933 -6.166 18.485 1.00 0.00 C ATOM 891 O PRO A 91 78.168 -6.571 19.614 1.00 0.00 O ATOM 892 CB PRO A 91 80.032 -7.384 17.739 1.00 0.00 C ATOM 893 CG PRO A 91 81.019 -6.338 18.123 1.00 0.00 C ATOM 894 CD PRO A 91 80.869 -5.248 17.100 1.00 0.00 C ATOM 0 HA PRO A 91 78.159 -7.120 16.621 1.00 0.00 H new ATOM 0 HB2 PRO A 91 79.792 -8.039 18.577 1.00 0.00 H new ATOM 0 HB3 PRO A 91 80.409 -8.018 16.937 1.00 0.00 H new ATOM 0 HG2 PRO A 91 80.822 -5.963 19.127 1.00 0.00 H new ATOM 0 HG3 PRO A 91 82.033 -6.737 18.125 1.00 0.00 H new ATOM 0 HD2 PRO A 91 81.084 -4.267 17.524 1.00 0.00 H new ATOM 0 HD3 PRO A 91 81.549 -5.389 16.260 1.00 0.00 H new ATOM 902 N LYS A 92 76.916 -5.371 18.232 1.00 0.00 N ATOM 903 CA LYS A 92 76.030 -4.877 19.330 1.00 0.00 C ATOM 904 C LYS A 92 74.649 -4.517 18.765 1.00 0.00 C ATOM 905 O LYS A 92 74.094 -3.474 19.069 1.00 0.00 O ATOM 906 CB LYS A 92 76.656 -3.675 20.038 1.00 0.00 C ATOM 907 CG LYS A 92 76.003 -3.327 21.366 1.00 0.00 C ATOM 908 CD LYS A 92 76.256 -1.876 21.743 1.00 0.00 C ATOM 909 CE LYS A 92 77.618 -1.703 22.393 1.00 0.00 C ATOM 910 NZ LYS A 92 77.921 -0.273 22.679 1.00 0.00 N ATOM 0 H LYS A 92 76.663 -5.042 17.300 1.00 0.00 H new ATOM 0 HA LYS A 92 75.912 -5.672 20.067 1.00 0.00 H new ATOM 0 HB2 LYS A 92 77.714 -3.877 20.207 1.00 0.00 H new ATOM 0 HB3 LYS A 92 76.599 -2.809 19.379 1.00 0.00 H new ATOM 0 HG2 LYS A 92 74.930 -3.507 21.304 1.00 0.00 H new ATOM 0 HG3 LYS A 92 76.391 -3.981 22.147 1.00 0.00 H new ATOM 0 HD2 LYS A 92 76.194 -1.251 20.852 1.00 0.00 H new ATOM 0 HD3 LYS A 92 75.479 -1.535 22.427 1.00 0.00 H new ATOM 0 HE2 LYS A 92 77.652 -2.274 23.321 1.00 0.00 H new ATOM 0 HE3 LYS A 92 78.387 -2.113 21.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 78.859 -0.199 23.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 77.914 0.268 21.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 77.202 0.112 23.324 1.00 0.00 H new ATOM 924 N ALA A 93 74.101 -5.386 17.947 1.00 0.00 N ATOM 925 CA ALA A 93 72.765 -5.123 17.326 1.00 0.00 C ATOM 926 C ALA A 93 72.098 -6.449 16.942 1.00 0.00 C ATOM 927 O ALA A 93 72.762 -7.382 16.529 1.00 0.00 O ATOM 928 CB ALA A 93 73.056 -4.276 16.086 1.00 0.00 C ATOM 0 H ALA A 93 74.528 -6.274 17.682 1.00 0.00 H new ATOM 0 HA ALA A 93 72.084 -4.611 18.006 1.00 0.00 H new ATOM 0 HB1 ALA A 93 72.121 -4.043 15.577 1.00 0.00 H new ATOM 0 HB2 ALA A 93 73.547 -3.350 16.385 1.00 0.00 H new ATOM 0 HB3 ALA A 93 73.708 -4.831 15.411 1.00 0.00 H new ATOM 934 N GLN A 94 70.793 -6.526 17.079 1.00 0.00 N ATOM 935 CA GLN A 94 70.062 -7.800 16.794 1.00 0.00 C ATOM 936 C GLN A 94 69.218 -7.653 15.517 1.00 0.00 C ATOM 937 O GLN A 94 68.003 -7.784 15.538 1.00 0.00 O ATOM 938 CB GLN A 94 69.180 -8.025 18.027 1.00 0.00 C ATOM 939 CG GLN A 94 68.558 -9.421 17.962 1.00 0.00 C ATOM 940 CD GLN A 94 67.567 -9.592 19.116 1.00 0.00 C ATOM 941 OE1 GLN A 94 66.652 -8.809 19.267 1.00 0.00 O ATOM 942 NE2 GLN A 94 67.712 -10.593 19.942 1.00 0.00 N ATOM 0 H GLN A 94 70.200 -5.752 17.379 1.00 0.00 H new ATOM 0 HA GLN A 94 70.731 -8.643 16.621 1.00 0.00 H new ATOM 0 HB2 GLN A 94 69.773 -7.922 18.935 1.00 0.00 H new ATOM 0 HB3 GLN A 94 68.397 -7.268 18.070 1.00 0.00 H new ATOM 0 HG2 GLN A 94 68.049 -9.560 17.008 1.00 0.00 H new ATOM 0 HG3 GLN A 94 69.337 -10.181 18.022 1.00 0.00 H new ATOM 0 HE21 GLN A 94 68.481 -11.251 19.816 1.00 0.00 H new ATOM 0 HE22 GLN A 94 67.056 -10.717 20.714 1.00 0.00 H new ATOM 951 N LEU A 95 69.865 -7.379 14.405 1.00 0.00 N ATOM 952 CA LEU A 95 69.143 -7.238 13.103 1.00 0.00 C ATOM 953 C LEU A 95 70.093 -7.541 11.941 1.00 0.00 C ATOM 954 O LEU A 95 71.295 -7.380 12.065 1.00 0.00 O ATOM 955 CB LEU A 95 68.687 -5.778 13.063 1.00 0.00 C ATOM 956 CG LEU A 95 67.734 -5.573 11.883 1.00 0.00 C ATOM 957 CD1 LEU A 95 66.384 -6.225 12.195 1.00 0.00 C ATOM 958 CD2 LEU A 95 67.533 -4.074 11.644 1.00 0.00 C ATOM 0 H LEU A 95 70.875 -7.246 14.347 1.00 0.00 H new ATOM 0 HA LEU A 95 68.304 -7.928 13.014 1.00 0.00 H new ATOM 0 HB2 LEU A 95 68.189 -5.516 13.996 1.00 0.00 H new ATOM 0 HB3 LEU A 95 69.550 -5.119 12.966 1.00 0.00 H new ATOM 0 HG LEU A 95 68.160 -6.030 10.990 1.00 0.00 H new ATOM 0 HD11 LEU A 95 65.706 -6.078 11.354 1.00 0.00 H new ATOM 0 HD12 LEU A 95 66.526 -7.292 12.365 1.00 0.00 H new ATOM 0 HD13 LEU A 95 65.958 -5.769 13.089 1.00 0.00 H new ATOM 0 HD21 LEU A 95 66.854 -3.927 10.804 1.00 0.00 H new ATOM 0 HD22 LEU A 95 67.108 -3.617 12.538 1.00 0.00 H new ATOM 0 HD23 LEU A 95 68.493 -3.609 11.420 1.00 0.00 H new ATOM 970 N ARG A 96 69.557 -7.976 10.823 1.00 0.00 N ATOM 971 CA ARG A 96 70.415 -8.295 9.635 1.00 0.00 C ATOM 972 C ARG A 96 70.639 -7.034 8.797 1.00 0.00 C ATOM 973 O ARG A 96 69.696 -6.364 8.413 1.00 0.00 O ATOM 974 CB ARG A 96 69.634 -9.340 8.831 1.00 0.00 C ATOM 975 CG ARG A 96 69.531 -10.640 9.635 1.00 0.00 C ATOM 976 CD ARG A 96 70.798 -11.480 9.429 1.00 0.00 C ATOM 977 NE ARG A 96 71.771 -11.016 10.475 1.00 0.00 N ATOM 978 CZ ARG A 96 73.077 -11.188 10.352 1.00 0.00 C ATOM 979 NH1 ARG A 96 73.619 -11.792 9.317 1.00 0.00 N ATOM 980 NH2 ARG A 96 73.859 -10.748 11.300 1.00 0.00 N ATOM 0 H ARG A 96 68.558 -8.124 10.682 1.00 0.00 H new ATOM 0 HA ARG A 96 71.396 -8.667 9.929 1.00 0.00 H new ATOM 0 HB2 ARG A 96 68.637 -8.964 8.600 1.00 0.00 H new ATOM 0 HB3 ARG A 96 70.132 -9.528 7.880 1.00 0.00 H new ATOM 0 HG2 ARG A 96 69.401 -10.414 10.693 1.00 0.00 H new ATOM 0 HG3 ARG A 96 68.654 -11.205 9.320 1.00 0.00 H new ATOM 0 HD2 ARG A 96 70.584 -12.543 9.538 1.00 0.00 H new ATOM 0 HD3 ARG A 96 71.203 -11.337 8.427 1.00 0.00 H new ATOM 0 HE ARG A 96 71.412 -10.552 11.309 1.00 0.00 H new ATOM 0 HH11 ARG A 96 73.027 -12.150 8.568 1.00 0.00 H new ATOM 0 HH12 ARG A 96 74.632 -11.903 9.264 1.00 0.00 H new ATOM 0 HH21 ARG A 96 73.460 -10.282 12.115 1.00 0.00 H new ATOM 0 HH22 ARG A 96 74.869 -10.870 11.226 1.00 0.00 H new ATOM 994 N ARG A 97 71.884 -6.714 8.515 1.00 0.00 N ATOM 995 CA ARG A 97 72.204 -5.469 7.751 1.00 0.00 C ATOM 996 C ARG A 97 73.616 -5.558 7.165 1.00 0.00 C ATOM 997 O ARG A 97 74.506 -6.135 7.763 1.00 0.00 O ATOM 998 CB ARG A 97 72.118 -4.338 8.776 1.00 0.00 C ATOM 999 CG ARG A 97 72.220 -2.987 8.068 1.00 0.00 C ATOM 1000 CD ARG A 97 71.913 -1.866 9.065 1.00 0.00 C ATOM 1001 NE ARG A 97 73.137 -1.766 9.922 1.00 0.00 N ATOM 1002 CZ ARG A 97 74.239 -1.157 9.515 1.00 0.00 C ATOM 1003 NH1 ARG A 97 74.341 -0.598 8.329 1.00 0.00 N ATOM 1004 NH2 ARG A 97 75.263 -1.111 10.322 1.00 0.00 N ATOM 0 H ARG A 97 72.696 -7.269 8.785 1.00 0.00 H new ATOM 0 HA ARG A 97 71.522 -5.311 6.915 1.00 0.00 H new ATOM 0 HB2 ARG A 97 71.177 -4.402 9.323 1.00 0.00 H new ATOM 0 HB3 ARG A 97 72.920 -4.437 9.508 1.00 0.00 H new ATOM 0 HG2 ARG A 97 73.219 -2.856 7.653 1.00 0.00 H new ATOM 0 HG3 ARG A 97 71.520 -2.948 7.233 1.00 0.00 H new ATOM 0 HD2 ARG A 97 71.712 -0.925 8.552 1.00 0.00 H new ATOM 0 HD3 ARG A 97 71.031 -2.099 9.662 1.00 0.00 H new ATOM 0 HE ARG A 97 73.121 -2.182 10.853 1.00 0.00 H new ATOM 0 HH11 ARG A 97 73.552 -0.624 7.683 1.00 0.00 H new ATOM 0 HH12 ARG A 97 75.209 -0.138 8.055 1.00 0.00 H new ATOM 0 HH21 ARG A 97 75.204 -1.539 11.246 1.00 0.00 H new ATOM 0 HH22 ARG A 97 76.123 -0.647 10.029 1.00 0.00 H new ATOM 1018 N THR A 98 73.813 -4.986 5.998 1.00 0.00 N ATOM 1019 CA THR A 98 75.187 -4.881 5.416 1.00 0.00 C ATOM 1020 C THR A 98 75.422 -3.469 4.874 1.00 0.00 C ATOM 1021 O THR A 98 74.496 -2.812 4.434 1.00 0.00 O ATOM 1022 CB THR A 98 75.232 -5.907 4.282 1.00 0.00 C ATOM 1023 OG1 THR A 98 74.712 -7.146 4.743 1.00 0.00 O ATOM 1024 CG2 THR A 98 76.679 -6.100 3.825 1.00 0.00 C ATOM 0 H THR A 98 73.073 -4.585 5.422 1.00 0.00 H new ATOM 0 HA THR A 98 75.961 -5.072 6.159 1.00 0.00 H new ATOM 0 HB THR A 98 74.632 -5.550 3.445 1.00 0.00 H new ATOM 0 HG1 THR A 98 75.011 -7.304 5.663 1.00 0.00 H new ATOM 0 HG21 THR A 98 76.711 -6.831 3.017 1.00 0.00 H new ATOM 0 HG22 THR A 98 77.078 -5.150 3.471 1.00 0.00 H new ATOM 0 HG23 THR A 98 77.280 -6.457 4.661 1.00 0.00 H new ATOM 1032 N ILE A 99 76.652 -3.005 4.909 1.00 0.00 N ATOM 1033 CA ILE A 99 76.985 -1.661 4.343 1.00 0.00 C ATOM 1034 C ILE A 99 78.367 -1.705 3.672 1.00 0.00 C ATOM 1035 O ILE A 99 79.195 -2.537 4.003 1.00 0.00 O ATOM 1036 CB ILE A 99 76.943 -0.686 5.539 1.00 0.00 C ATOM 1037 CG1 ILE A 99 77.207 0.745 5.049 1.00 0.00 C ATOM 1038 CG2 ILE A 99 77.990 -1.066 6.596 1.00 0.00 C ATOM 1039 CD1 ILE A 99 76.837 1.743 6.148 1.00 0.00 C ATOM 0 H ILE A 99 77.444 -3.507 5.310 1.00 0.00 H new ATOM 0 HA ILE A 99 76.285 -1.342 3.571 1.00 0.00 H new ATOM 0 HB ILE A 99 75.954 -0.745 5.994 1.00 0.00 H new ATOM 0 HG12 ILE A 99 78.257 0.859 4.779 1.00 0.00 H new ATOM 0 HG13 ILE A 99 76.623 0.946 4.151 1.00 0.00 H new ATOM 0 HG21 ILE A 99 77.939 -0.363 7.428 1.00 0.00 H new ATOM 0 HG22 ILE A 99 77.790 -2.074 6.960 1.00 0.00 H new ATOM 0 HG23 ILE A 99 78.985 -1.031 6.152 1.00 0.00 H new ATOM 0 HD11 ILE A 99 77.026 2.757 5.797 1.00 0.00 H new ATOM 0 HD12 ILE A 99 75.781 1.636 6.397 1.00 0.00 H new ATOM 0 HD13 ILE A 99 77.440 1.548 7.035 1.00 0.00 H new ATOM 1051 N GLU A 100 78.607 -0.813 2.737 1.00 0.00 N ATOM 1052 CA GLU A 100 79.911 -0.803 2.001 1.00 0.00 C ATOM 1053 C GLU A 100 80.319 0.631 1.654 1.00 0.00 C ATOM 1054 O GLU A 100 79.486 1.515 1.572 1.00 0.00 O ATOM 1055 CB GLU A 100 79.658 -1.611 0.727 1.00 0.00 C ATOM 1056 CG GLU A 100 79.415 -3.078 1.086 1.00 0.00 C ATOM 1057 CD GLU A 100 79.413 -3.923 -0.191 1.00 0.00 C ATOM 1058 OE1 GLU A 100 78.439 -3.851 -0.923 1.00 0.00 O ATOM 1059 OE2 GLU A 100 80.383 -4.627 -0.413 1.00 0.00 O ATOM 0 H GLU A 100 77.950 -0.087 2.452 1.00 0.00 H new ATOM 0 HA GLU A 100 80.720 -1.225 2.598 1.00 0.00 H new ATOM 0 HB2 GLU A 100 78.795 -1.209 0.195 1.00 0.00 H new ATOM 0 HB3 GLU A 100 80.513 -1.528 0.056 1.00 0.00 H new ATOM 0 HG2 GLU A 100 80.190 -3.430 1.766 1.00 0.00 H new ATOM 0 HG3 GLU A 100 78.463 -3.183 1.606 1.00 0.00 H new ATOM 1066 N CYS A 101 81.600 0.854 1.449 1.00 0.00 N ATOM 1067 CA CYS A 101 82.101 2.215 1.074 1.00 0.00 C ATOM 1068 C CYS A 101 83.230 2.085 0.048 1.00 0.00 C ATOM 1069 O CYS A 101 83.909 1.075 -0.002 1.00 0.00 O ATOM 1070 CB CYS A 101 82.625 2.819 2.378 1.00 0.00 C ATOM 1071 SG CYS A 101 81.237 3.164 3.490 1.00 0.00 S ATOM 0 H CYS A 101 82.325 0.141 1.527 1.00 0.00 H new ATOM 0 HA CYS A 101 81.327 2.837 0.625 1.00 0.00 H new ATOM 0 HB2 CYS A 101 83.323 2.131 2.854 1.00 0.00 H new ATOM 0 HB3 CYS A 101 83.174 3.737 2.170 1.00 0.00 H new ATOM 1076 N CYS A 102 83.430 3.101 -0.762 1.00 0.00 N ATOM 1077 CA CYS A 102 84.367 2.975 -1.929 1.00 0.00 C ATOM 1078 C CYS A 102 84.867 4.354 -2.379 1.00 0.00 C ATOM 1079 O CYS A 102 84.092 5.284 -2.521 1.00 0.00 O ATOM 1080 CB CYS A 102 83.572 2.267 -3.046 1.00 0.00 C ATOM 1081 SG CYS A 102 82.061 3.181 -3.482 1.00 0.00 S ATOM 0 H CYS A 102 82.984 4.013 -0.665 1.00 0.00 H new ATOM 0 HA CYS A 102 85.256 2.402 -1.666 1.00 0.00 H new ATOM 0 HB2 CYS A 102 84.201 2.162 -3.930 1.00 0.00 H new ATOM 0 HB3 CYS A 102 83.307 1.260 -2.722 1.00 0.00 H new ATOM 1086 N ARG A 103 86.159 4.480 -2.597 1.00 0.00 N ATOM 1087 CA ARG A 103 86.748 5.789 -3.021 1.00 0.00 C ATOM 1088 C ARG A 103 87.209 5.723 -4.485 1.00 0.00 C ATOM 1089 O ARG A 103 88.300 6.154 -4.827 1.00 0.00 O ATOM 1090 CB ARG A 103 87.936 6.004 -2.078 1.00 0.00 C ATOM 1091 CG ARG A 103 88.393 7.462 -2.151 1.00 0.00 C ATOM 1092 CD ARG A 103 89.703 7.626 -1.377 1.00 0.00 C ATOM 1093 NE ARG A 103 90.078 9.066 -1.555 1.00 0.00 N ATOM 1094 CZ ARG A 103 89.507 10.039 -0.864 1.00 0.00 C ATOM 1095 NH1 ARG A 103 88.567 9.815 0.030 1.00 0.00 N ATOM 1096 NH2 ARG A 103 89.891 11.267 -1.075 1.00 0.00 N ATOM 0 H ARG A 103 86.834 3.722 -2.497 1.00 0.00 H new ATOM 0 HA ARG A 103 86.030 6.607 -2.964 1.00 0.00 H new ATOM 0 HB2 ARG A 103 87.652 5.752 -1.056 1.00 0.00 H new ATOM 0 HB3 ARG A 103 88.756 5.341 -2.353 1.00 0.00 H new ATOM 0 HG2 ARG A 103 88.533 7.759 -3.190 1.00 0.00 H new ATOM 0 HG3 ARG A 103 87.627 8.116 -1.733 1.00 0.00 H new ATOM 0 HD2 ARG A 103 89.573 7.379 -0.323 1.00 0.00 H new ATOM 0 HD3 ARG A 103 90.477 6.965 -1.766 1.00 0.00 H new ATOM 0 HE ARG A 103 90.800 9.305 -2.234 1.00 0.00 H new ATOM 0 HH11 ARG A 103 88.253 8.862 0.212 1.00 0.00 H new ATOM 0 HH12 ARG A 103 88.153 10.595 0.541 1.00 0.00 H new ATOM 0 HH21 ARG A 103 90.619 11.463 -1.762 1.00 0.00 H new ATOM 0 HH22 ARG A 103 89.464 12.032 -0.553 1.00 0.00 H new ATOM 1110 N THR A 104 86.377 5.184 -5.346 1.00 0.00 N ATOM 1111 CA THR A 104 86.700 5.133 -6.807 1.00 0.00 C ATOM 1112 C THR A 104 85.458 5.476 -7.631 1.00 0.00 C ATOM 1113 O THR A 104 84.342 5.244 -7.206 1.00 0.00 O ATOM 1114 CB THR A 104 87.152 3.692 -7.078 1.00 0.00 C ATOM 1115 OG1 THR A 104 86.149 2.783 -6.640 1.00 0.00 O ATOM 1116 CG2 THR A 104 88.466 3.417 -6.342 1.00 0.00 C ATOM 0 H THR A 104 85.478 4.773 -5.094 1.00 0.00 H new ATOM 0 HA THR A 104 87.473 5.851 -7.082 1.00 0.00 H new ATOM 0 HB THR A 104 87.309 3.558 -8.148 1.00 0.00 H new ATOM 0 HG1 THR A 104 86.441 1.864 -6.816 1.00 0.00 H new ATOM 0 HG21 THR A 104 88.784 2.393 -6.536 1.00 0.00 H new ATOM 0 HG22 THR A 104 89.232 4.108 -6.694 1.00 0.00 H new ATOM 0 HG23 THR A 104 88.319 3.554 -5.271 1.00 0.00 H new ATOM 1124 N ASN A 105 85.651 6.019 -8.809 1.00 0.00 N ATOM 1125 CA ASN A 105 84.499 6.602 -9.582 1.00 0.00 C ATOM 1126 C ASN A 105 83.483 5.519 -9.964 1.00 0.00 C ATOM 1127 O ASN A 105 83.842 4.414 -10.323 1.00 0.00 O ATOM 1128 CB ASN A 105 85.101 7.266 -10.836 1.00 0.00 C ATOM 1129 CG ASN A 105 85.887 6.246 -11.674 1.00 0.00 C ATOM 1130 OD1 ASN A 105 85.320 5.311 -12.204 1.00 0.00 O ATOM 1131 ND2 ASN A 105 87.177 6.390 -11.813 1.00 0.00 N ATOM 0 H ASN A 105 86.557 6.086 -9.273 1.00 0.00 H new ATOM 0 HA ASN A 105 83.957 7.330 -8.979 1.00 0.00 H new ATOM 0 HB2 ASN A 105 84.305 7.701 -11.439 1.00 0.00 H new ATOM 0 HB3 ASN A 105 85.759 8.083 -10.539 1.00 0.00 H new ATOM 0 HD21 ASN A 105 87.709 5.718 -12.366 1.00 0.00 H new ATOM 0 HD22 ASN A 105 87.653 7.175 -11.368 1.00 0.00 H new ATOM 1138 N LEU A 106 82.206 5.844 -9.884 1.00 0.00 N ATOM 1139 CA LEU A 106 81.102 4.879 -10.231 1.00 0.00 C ATOM 1140 C LEU A 106 81.232 3.548 -9.474 1.00 0.00 C ATOM 1141 O LEU A 106 80.758 2.528 -9.945 1.00 0.00 O ATOM 1142 CB LEU A 106 81.208 4.639 -11.747 1.00 0.00 C ATOM 1143 CG LEU A 106 80.971 5.949 -12.505 1.00 0.00 C ATOM 1144 CD1 LEU A 106 81.590 5.850 -13.900 1.00 0.00 C ATOM 1145 CD2 LEU A 106 79.467 6.199 -12.633 1.00 0.00 C ATOM 0 H LEU A 106 81.876 6.762 -9.585 1.00 0.00 H new ATOM 0 HA LEU A 106 80.136 5.295 -9.945 1.00 0.00 H new ATOM 0 HB2 LEU A 106 82.193 4.241 -11.992 1.00 0.00 H new ATOM 0 HB3 LEU A 106 80.476 3.893 -12.057 1.00 0.00 H new ATOM 0 HG LEU A 106 81.432 6.772 -11.960 1.00 0.00 H new ATOM 0 HD11 LEU A 106 81.422 6.782 -14.440 1.00 0.00 H new ATOM 0 HD12 LEU A 106 82.661 5.671 -13.811 1.00 0.00 H new ATOM 0 HD13 LEU A 106 81.129 5.027 -14.445 1.00 0.00 H new ATOM 0 HD21 LEU A 106 79.298 7.131 -13.172 1.00 0.00 H new ATOM 0 HD22 LEU A 106 79.006 5.375 -13.178 1.00 0.00 H new ATOM 0 HD23 LEU A 106 79.024 6.269 -11.640 1.00 0.00 H new ATOM 1157 N CYS A 107 81.867 3.546 -8.318 1.00 0.00 N ATOM 1158 CA CYS A 107 81.873 2.306 -7.466 1.00 0.00 C ATOM 1159 C CYS A 107 80.470 2.005 -6.914 1.00 0.00 C ATOM 1160 O CYS A 107 80.161 0.866 -6.609 1.00 0.00 O ATOM 1161 CB CYS A 107 82.888 2.547 -6.331 1.00 0.00 C ATOM 1162 SG CYS A 107 82.431 3.973 -5.306 1.00 0.00 S ATOM 0 H CYS A 107 82.376 4.341 -7.932 1.00 0.00 H new ATOM 0 HA CYS A 107 82.160 1.434 -8.054 1.00 0.00 H new ATOM 0 HB2 CYS A 107 82.952 1.656 -5.706 1.00 0.00 H new ATOM 0 HB3 CYS A 107 83.878 2.709 -6.758 1.00 0.00 H new ATOM 1167 N ASN A 108 79.626 3.011 -6.785 1.00 0.00 N ATOM 1168 CA ASN A 108 78.240 2.781 -6.252 1.00 0.00 C ATOM 1169 C ASN A 108 77.320 2.257 -7.360 1.00 0.00 C ATOM 1170 O ASN A 108 76.429 1.465 -7.103 1.00 0.00 O ATOM 1171 CB ASN A 108 77.752 4.147 -5.746 1.00 0.00 C ATOM 1172 CG ASN A 108 78.129 4.325 -4.273 1.00 0.00 C ATOM 1173 OD1 ASN A 108 79.173 3.878 -3.840 1.00 0.00 O ATOM 1174 ND2 ASN A 108 77.316 4.964 -3.478 1.00 0.00 N ATOM 0 H ASN A 108 79.839 3.979 -7.026 1.00 0.00 H new ATOM 0 HA ASN A 108 78.235 2.036 -5.456 1.00 0.00 H new ATOM 0 HB2 ASN A 108 78.195 4.944 -6.342 1.00 0.00 H new ATOM 0 HB3 ASN A 108 76.671 4.223 -5.865 1.00 0.00 H new ATOM 0 HD21 ASN A 108 77.557 5.088 -2.495 1.00 0.00 H new ATOM 0 HD22 ASN A 108 76.439 5.340 -3.840 1.00 0.00 H new ATOM 1181 N GLN A 109 77.533 2.694 -8.582 1.00 0.00 N ATOM 1182 CA GLN A 109 76.638 2.276 -9.719 1.00 0.00 C ATOM 1183 C GLN A 109 76.717 0.761 -9.949 1.00 0.00 C ATOM 1184 O GLN A 109 75.713 0.117 -10.196 1.00 0.00 O ATOM 1185 CB GLN A 109 77.153 3.023 -10.954 1.00 0.00 C ATOM 1186 CG GLN A 109 76.144 2.883 -12.095 1.00 0.00 C ATOM 1187 CD GLN A 109 76.727 3.496 -13.370 1.00 0.00 C ATOM 1188 OE1 GLN A 109 76.076 4.450 -13.978 1.00 0.00 O flip ATOM 1189 NE2 GLN A 109 77.786 3.103 -13.817 1.00 0.00 N flip ATOM 0 H GLN A 109 78.291 3.325 -8.844 1.00 0.00 H new ATOM 0 HA GLN A 109 75.595 2.512 -9.506 1.00 0.00 H new ATOM 0 HB2 GLN A 109 77.306 4.076 -10.717 1.00 0.00 H new ATOM 0 HB3 GLN A 109 78.119 2.621 -11.258 1.00 0.00 H new ATOM 0 HG2 GLN A 109 75.908 1.832 -12.259 1.00 0.00 H new ATOM 0 HG3 GLN A 109 75.211 3.382 -11.833 1.00 0.00 H new ATOM 0 HE21 GLN A 109 78.295 2.357 -13.342 1.00 0.00 H new ATOM 0 HE22 GLN A 109 78.166 3.519 -14.667 1.00 0.00 H new ATOM 1198 N TYR A 110 77.903 0.200 -9.865 1.00 0.00 N ATOM 1199 CA TYR A 110 78.095 -1.247 -10.200 1.00 0.00 C ATOM 1200 C TYR A 110 78.212 -2.119 -8.939 1.00 0.00 C ATOM 1201 O TYR A 110 78.658 -3.251 -9.020 1.00 0.00 O ATOM 1202 CB TYR A 110 79.405 -1.288 -10.989 1.00 0.00 C ATOM 1203 CG TYR A 110 79.346 -0.536 -12.297 1.00 0.00 C ATOM 1204 CD1 TYR A 110 78.494 -0.996 -13.348 1.00 0.00 C ATOM 1205 CD2 TYR A 110 80.143 0.637 -12.484 1.00 0.00 C ATOM 1206 CE1 TYR A 110 78.438 -0.284 -14.587 1.00 0.00 C ATOM 1207 CE2 TYR A 110 80.087 1.348 -13.723 1.00 0.00 C ATOM 1208 CZ TYR A 110 79.235 0.888 -14.774 1.00 0.00 C ATOM 1209 OH TYR A 110 79.181 1.574 -15.969 1.00 0.00 O ATOM 0 H TYR A 110 78.751 0.688 -9.576 1.00 0.00 H new ATOM 0 HA TYR A 110 77.245 -1.640 -10.758 1.00 0.00 H new ATOM 0 HB2 TYR A 110 80.203 -0.870 -10.375 1.00 0.00 H new ATOM 0 HB3 TYR A 110 79.667 -2.327 -11.188 1.00 0.00 H new ATOM 0 HD1 TYR A 110 77.892 -1.882 -13.207 1.00 0.00 H new ATOM 0 HD2 TYR A 110 80.787 0.985 -11.690 1.00 0.00 H new ATOM 0 HE1 TYR A 110 77.794 -0.632 -15.381 1.00 0.00 H new ATOM 0 HE2 TYR A 110 80.689 2.233 -13.865 1.00 0.00 H new ATOM 0 HH TYR A 110 79.783 2.347 -15.930 1.00 0.00 H new ATOM 1219 N LEU A 111 77.818 -1.613 -7.785 1.00 0.00 N ATOM 1220 CA LEU A 111 77.975 -2.390 -6.514 1.00 0.00 C ATOM 1221 C LEU A 111 76.631 -2.499 -5.786 1.00 0.00 C ATOM 1222 O LEU A 111 76.131 -1.525 -5.250 1.00 0.00 O ATOM 1223 CB LEU A 111 78.976 -1.582 -5.685 1.00 0.00 C ATOM 1224 CG LEU A 111 79.376 -2.376 -4.439 1.00 0.00 C ATOM 1225 CD1 LEU A 111 80.435 -3.415 -4.813 1.00 0.00 C ATOM 1226 CD2 LEU A 111 79.949 -1.421 -3.388 1.00 0.00 C ATOM 0 H LEU A 111 77.394 -0.692 -7.674 1.00 0.00 H new ATOM 0 HA LEU A 111 78.318 -3.410 -6.690 1.00 0.00 H new ATOM 0 HB2 LEU A 111 79.859 -1.356 -6.283 1.00 0.00 H new ATOM 0 HB3 LEU A 111 78.536 -0.628 -5.394 1.00 0.00 H new ATOM 0 HG LEU A 111 78.499 -2.881 -4.034 1.00 0.00 H new ATOM 0 HD11 LEU A 111 80.720 -3.980 -3.925 1.00 0.00 H new ATOM 0 HD12 LEU A 111 80.029 -4.095 -5.562 1.00 0.00 H new ATOM 0 HD13 LEU A 111 81.312 -2.911 -5.219 1.00 0.00 H new ATOM 0 HD21 LEU A 111 80.234 -1.986 -2.500 1.00 0.00 H new ATOM 0 HD22 LEU A 111 80.826 -0.916 -3.794 1.00 0.00 H new ATOM 0 HD23 LEU A 111 79.196 -0.680 -3.120 1.00 0.00 H new ATOM 1238 N GLN A 112 76.054 -3.679 -5.769 1.00 0.00 N ATOM 1239 CA GLN A 112 74.816 -3.920 -4.963 1.00 0.00 C ATOM 1240 C GLN A 112 75.179 -4.583 -3.617 1.00 0.00 C ATOM 1241 O GLN A 112 75.760 -5.653 -3.628 1.00 0.00 O ATOM 1242 CB GLN A 112 73.976 -4.878 -5.811 1.00 0.00 C ATOM 1243 CG GLN A 112 72.570 -4.988 -5.216 1.00 0.00 C ATOM 1244 CD GLN A 112 71.737 -5.963 -6.051 1.00 0.00 C ATOM 1245 OE1 GLN A 112 71.556 -5.763 -7.236 1.00 0.00 O ATOM 1246 NE2 GLN A 112 71.219 -7.014 -5.480 1.00 0.00 N ATOM 0 H GLN A 112 76.392 -4.492 -6.284 1.00 0.00 H new ATOM 0 HA GLN A 112 74.285 -2.996 -4.735 1.00 0.00 H new ATOM 0 HB2 GLN A 112 73.920 -4.518 -6.838 1.00 0.00 H new ATOM 0 HB3 GLN A 112 74.447 -5.861 -5.843 1.00 0.00 H new ATOM 0 HG2 GLN A 112 72.627 -5.333 -4.184 1.00 0.00 H new ATOM 0 HG3 GLN A 112 72.093 -4.008 -5.199 1.00 0.00 H new ATOM 0 HE21 GLN A 112 71.371 -7.181 -4.485 1.00 0.00 H new ATOM 0 HE22 GLN A 112 70.661 -7.669 -6.028 1.00 0.00 H new ATOM 1255 N PRO A 113 74.842 -3.948 -2.498 1.00 0.00 N ATOM 1256 CA PRO A 113 75.080 -4.589 -1.171 1.00 0.00 C ATOM 1257 C PRO A 113 74.145 -5.791 -0.988 1.00 0.00 C ATOM 1258 O PRO A 113 73.027 -5.790 -1.474 1.00 0.00 O ATOM 1259 CB PRO A 113 74.758 -3.486 -0.162 1.00 0.00 C ATOM 1260 CG PRO A 113 73.859 -2.542 -0.889 1.00 0.00 C ATOM 1261 CD PRO A 113 74.232 -2.612 -2.343 1.00 0.00 C ATOM 0 HA PRO A 113 76.095 -4.969 -1.057 1.00 0.00 H new ATOM 0 HB2 PRO A 113 74.269 -3.893 0.723 1.00 0.00 H new ATOM 0 HB3 PRO A 113 75.665 -2.985 0.176 1.00 0.00 H new ATOM 0 HG2 PRO A 113 72.814 -2.817 -0.745 1.00 0.00 H new ATOM 0 HG3 PRO A 113 73.977 -1.527 -0.509 1.00 0.00 H new ATOM 0 HD2 PRO A 113 73.358 -2.497 -2.984 1.00 0.00 H new ATOM 0 HD3 PRO A 113 74.932 -1.821 -2.613 1.00 0.00 H new ATOM 1269 N THR A 114 74.603 -6.806 -0.291 1.00 0.00 N ATOM 1270 CA THR A 114 73.762 -8.020 -0.052 1.00 0.00 C ATOM 1271 C THR A 114 73.939 -8.510 1.389 1.00 0.00 C ATOM 1272 O THR A 114 74.990 -8.338 1.980 1.00 0.00 O ATOM 1273 CB THR A 114 74.275 -9.065 -1.044 1.00 0.00 C ATOM 1274 OG1 THR A 114 75.681 -9.194 -0.908 1.00 0.00 O ATOM 1275 CG2 THR A 114 73.935 -8.629 -2.471 1.00 0.00 C ATOM 0 H THR A 114 75.533 -6.843 0.126 1.00 0.00 H new ATOM 0 HA THR A 114 72.700 -7.819 -0.191 1.00 0.00 H new ATOM 0 HB THR A 114 73.801 -10.025 -0.838 1.00 0.00 H new ATOM 0 HG1 THR A 114 76.011 -9.865 -1.542 1.00 0.00 H new ATOM 0 HG21 THR A 114 74.301 -9.375 -3.176 1.00 0.00 H new ATOM 0 HG22 THR A 114 72.854 -8.532 -2.574 1.00 0.00 H new ATOM 0 HG23 THR A 114 74.407 -7.669 -2.680 1.00 0.00 H new ATOM 1283 N LEU A 115 72.914 -9.118 1.947 1.00 0.00 N ATOM 1284 CA LEU A 115 73.002 -9.636 3.354 1.00 0.00 C ATOM 1285 C LEU A 115 73.916 -10.873 3.407 1.00 0.00 C ATOM 1286 O LEU A 115 74.063 -11.547 2.402 1.00 0.00 O ATOM 1287 CB LEU A 115 71.571 -10.015 3.754 1.00 0.00 C ATOM 1288 CG LEU A 115 70.752 -8.744 3.982 1.00 0.00 C ATOM 1289 CD1 LEU A 115 69.264 -9.097 4.032 1.00 0.00 C ATOM 1290 CD2 LEU A 115 71.167 -8.100 5.308 1.00 0.00 C ATOM 0 H LEU A 115 72.018 -9.278 1.487 1.00 0.00 H new ATOM 0 HA LEU A 115 73.422 -8.891 4.031 1.00 0.00 H new ATOM 0 HB2 LEU A 115 71.112 -10.621 2.973 1.00 0.00 H new ATOM 0 HB3 LEU A 115 71.584 -10.620 4.661 1.00 0.00 H new ATOM 0 HG LEU A 115 70.933 -8.045 3.165 1.00 0.00 H new ATOM 0 HD11 LEU A 115 68.680 -8.191 4.195 1.00 0.00 H new ATOM 0 HD12 LEU A 115 68.967 -9.556 3.089 1.00 0.00 H new ATOM 0 HD13 LEU A 115 69.083 -9.796 4.848 1.00 0.00 H new ATOM 0 HD21 LEU A 115 70.583 -7.194 5.471 1.00 0.00 H new ATOM 0 HD22 LEU A 115 70.987 -8.799 6.124 1.00 0.00 H new ATOM 0 HD23 LEU A 115 72.227 -7.848 5.274 1.00 0.00 H new ATOM 1302 N PRO A 116 74.507 -11.149 4.565 1.00 0.00 N ATOM 1303 CA PRO A 116 75.377 -12.353 4.707 1.00 0.00 C ATOM 1304 C PRO A 116 74.550 -13.644 4.532 1.00 0.00 C ATOM 1305 O PRO A 116 73.350 -13.616 4.738 1.00 0.00 O ATOM 1306 CB PRO A 116 75.943 -12.252 6.130 1.00 0.00 C ATOM 1307 CG PRO A 116 75.648 -10.859 6.588 1.00 0.00 C ATOM 1308 CD PRO A 116 74.438 -10.394 5.831 1.00 0.00 C ATOM 0 HA PRO A 116 76.164 -12.391 3.953 1.00 0.00 H new ATOM 0 HB2 PRO A 116 75.479 -12.987 6.788 1.00 0.00 H new ATOM 0 HB3 PRO A 116 77.015 -12.448 6.139 1.00 0.00 H new ATOM 0 HG2 PRO A 116 75.463 -10.837 7.662 1.00 0.00 H new ATOM 0 HG3 PRO A 116 76.497 -10.203 6.398 1.00 0.00 H new ATOM 0 HD2 PRO A 116 73.518 -10.608 6.375 1.00 0.00 H new ATOM 0 HD3 PRO A 116 74.463 -9.318 5.658 1.00 0.00 H new ATOM 1316 N PRO A 117 75.206 -14.738 4.160 1.00 0.00 N ATOM 1317 CA PRO A 117 74.485 -16.036 4.009 1.00 0.00 C ATOM 1318 C PRO A 117 74.021 -16.547 5.378 1.00 0.00 C ATOM 1319 O PRO A 117 74.679 -16.328 6.382 1.00 0.00 O ATOM 1320 CB PRO A 117 75.530 -16.972 3.399 1.00 0.00 C ATOM 1321 CG PRO A 117 76.851 -16.368 3.747 1.00 0.00 C ATOM 1322 CD PRO A 117 76.642 -14.882 3.846 1.00 0.00 C ATOM 0 HA PRO A 117 73.590 -15.958 3.392 1.00 0.00 H new ATOM 0 HB2 PRO A 117 75.439 -17.980 3.804 1.00 0.00 H new ATOM 0 HB3 PRO A 117 75.405 -17.050 2.319 1.00 0.00 H new ATOM 0 HG2 PRO A 117 77.222 -16.769 4.690 1.00 0.00 H new ATOM 0 HG3 PRO A 117 77.595 -16.603 2.986 1.00 0.00 H new ATOM 0 HD2 PRO A 117 77.266 -14.443 4.625 1.00 0.00 H new ATOM 0 HD3 PRO A 117 76.898 -14.381 2.912 1.00 0.00 H new ATOM 1330 N VAL A 118 72.894 -17.225 5.417 1.00 0.00 N ATOM 1331 CA VAL A 118 72.363 -17.761 6.715 1.00 0.00 C ATOM 1332 C VAL A 118 73.157 -19.014 7.106 1.00 0.00 C ATOM 1333 O VAL A 118 73.437 -19.235 8.272 1.00 0.00 O ATOM 1334 CB VAL A 118 70.876 -18.098 6.467 1.00 0.00 C ATOM 1335 CG1 VAL A 118 70.230 -18.628 7.754 1.00 0.00 C ATOM 1336 CG2 VAL A 118 70.116 -16.841 6.024 1.00 0.00 C ATOM 0 H VAL A 118 72.317 -17.431 4.601 1.00 0.00 H new ATOM 0 HA VAL A 118 72.460 -17.044 7.530 1.00 0.00 H new ATOM 0 HB VAL A 118 70.825 -18.858 5.687 1.00 0.00 H new ATOM 0 HG11 VAL A 118 69.182 -18.862 7.566 1.00 0.00 H new ATOM 0 HG12 VAL A 118 70.750 -19.529 8.078 1.00 0.00 H new ATOM 0 HG13 VAL A 118 70.298 -17.870 8.534 1.00 0.00 H new ATOM 0 HG21 VAL A 118 69.069 -17.091 5.852 1.00 0.00 H new ATOM 0 HG22 VAL A 118 70.185 -16.081 6.802 1.00 0.00 H new ATOM 0 HG23 VAL A 118 70.554 -16.457 5.102 1.00 0.00 H new ATOM 1346 N VAL A 119 73.517 -19.825 6.136 1.00 0.00 N ATOM 1347 CA VAL A 119 74.304 -21.069 6.423 1.00 0.00 C ATOM 1348 C VAL A 119 75.803 -20.746 6.364 1.00 0.00 C ATOM 1349 O VAL A 119 76.249 -20.020 5.491 1.00 0.00 O ATOM 1350 CB VAL A 119 73.910 -22.080 5.323 1.00 0.00 C ATOM 1351 CG1 VAL A 119 74.642 -23.411 5.538 1.00 0.00 C ATOM 1352 CG2 VAL A 119 72.398 -22.346 5.369 1.00 0.00 C ATOM 0 H VAL A 119 73.297 -19.676 5.151 1.00 0.00 H new ATOM 0 HA VAL A 119 74.097 -21.475 7.413 1.00 0.00 H new ATOM 0 HB VAL A 119 74.186 -21.657 4.357 1.00 0.00 H new ATOM 0 HG11 VAL A 119 74.355 -24.114 4.756 1.00 0.00 H new ATOM 0 HG12 VAL A 119 75.719 -23.245 5.500 1.00 0.00 H new ATOM 0 HG13 VAL A 119 74.373 -23.821 6.511 1.00 0.00 H new ATOM 0 HG21 VAL A 119 72.130 -23.060 4.590 1.00 0.00 H new ATOM 0 HG22 VAL A 119 72.130 -22.755 6.343 1.00 0.00 H new ATOM 0 HG23 VAL A 119 71.859 -21.412 5.207 1.00 0.00 H new ATOM 1362 N ILE A 120 76.570 -21.280 7.287 1.00 0.00 N ATOM 1363 CA ILE A 120 78.042 -21.012 7.318 1.00 0.00 C ATOM 1364 C ILE A 120 78.781 -22.185 7.989 1.00 0.00 C ATOM 1365 O ILE A 120 79.317 -22.054 9.077 1.00 0.00 O ATOM 1366 CB ILE A 120 78.192 -19.688 8.099 1.00 0.00 C ATOM 1367 CG1 ILE A 120 79.665 -19.266 8.128 1.00 0.00 C ATOM 1368 CG2 ILE A 120 77.674 -19.830 9.539 1.00 0.00 C ATOM 1369 CD1 ILE A 120 80.030 -18.596 6.801 1.00 0.00 C ATOM 0 H ILE A 120 76.234 -21.896 8.027 1.00 0.00 H new ATOM 0 HA ILE A 120 78.481 -20.922 6.324 1.00 0.00 H new ATOM 0 HB ILE A 120 77.598 -18.928 7.592 1.00 0.00 H new ATOM 0 HG12 ILE A 120 79.841 -18.579 8.955 1.00 0.00 H new ATOM 0 HG13 ILE A 120 80.300 -20.136 8.295 1.00 0.00 H new ATOM 0 HG21 ILE A 120 77.793 -18.882 10.064 1.00 0.00 H new ATOM 0 HG22 ILE A 120 76.619 -20.105 9.521 1.00 0.00 H new ATOM 0 HG23 ILE A 120 78.242 -20.604 10.055 1.00 0.00 H new ATOM 0 HD11 ILE A 120 81.078 -18.296 6.821 1.00 0.00 H new ATOM 0 HD12 ILE A 120 79.869 -19.298 5.983 1.00 0.00 H new ATOM 0 HD13 ILE A 120 79.403 -17.717 6.653 1.00 0.00 H new ATOM 1381 N GLY A 121 78.804 -23.326 7.334 1.00 0.00 N ATOM 1382 CA GLY A 121 79.506 -24.522 7.894 1.00 0.00 C ATOM 1383 C GLY A 121 79.529 -25.511 6.716 1.00 0.00 C ATOM 1384 O GLY A 121 80.354 -25.371 5.835 1.00 0.00 O ATOM 0 H GLY A 121 78.361 -23.477 6.428 1.00 0.00 H new ATOM 0 HA2 GLY A 121 80.513 -24.275 8.230 1.00 0.00 H new ATOM 0 HA3 GLY A 121 78.975 -24.933 8.753 1.00 0.00 H new ATOM 1388 N PRO A 122 78.626 -26.487 6.724 1.00 0.00 N ATOM 1389 CA PRO A 122 78.543 -27.473 5.594 1.00 0.00 C ATOM 1390 C PRO A 122 78.746 -26.872 4.196 1.00 0.00 C ATOM 1391 O PRO A 122 78.369 -25.739 3.946 1.00 0.00 O ATOM 1392 CB PRO A 122 77.140 -28.074 5.723 1.00 0.00 C ATOM 1393 CG PRO A 122 76.770 -27.808 7.140 1.00 0.00 C ATOM 1394 CD PRO A 122 77.292 -26.435 7.427 1.00 0.00 C ATOM 0 HA PRO A 122 79.351 -28.200 5.676 1.00 0.00 H new ATOM 0 HB2 PRO A 122 76.439 -27.606 5.032 1.00 0.00 H new ATOM 0 HB3 PRO A 122 77.140 -29.142 5.503 1.00 0.00 H new ATOM 0 HG2 PRO A 122 75.690 -27.857 7.282 1.00 0.00 H new ATOM 0 HG3 PRO A 122 77.213 -28.546 7.809 1.00 0.00 H new ATOM 0 HD2 PRO A 122 76.644 -25.655 7.027 1.00 0.00 H new ATOM 0 HD3 PRO A 122 77.395 -26.247 8.496 1.00 0.00 H new ATOM 1402 N PHE A 123 79.337 -27.627 3.296 1.00 0.00 N ATOM 1403 CA PHE A 123 79.557 -27.128 1.900 1.00 0.00 C ATOM 1404 C PHE A 123 78.304 -27.359 1.044 1.00 0.00 C ATOM 1405 O PHE A 123 77.696 -28.414 1.103 1.00 0.00 O ATOM 1406 CB PHE A 123 80.761 -27.914 1.348 1.00 0.00 C ATOM 1407 CG PHE A 123 80.534 -29.404 1.167 1.00 0.00 C ATOM 1408 CD1 PHE A 123 80.027 -29.897 -0.075 1.00 0.00 C ATOM 1409 CD2 PHE A 123 80.827 -30.315 2.230 1.00 0.00 C ATOM 1410 CE1 PHE A 123 79.811 -31.299 -0.254 1.00 0.00 C ATOM 1411 CE2 PHE A 123 80.610 -31.716 2.051 1.00 0.00 C ATOM 1412 CZ PHE A 123 80.102 -32.208 0.809 1.00 0.00 C ATOM 0 H PHE A 123 79.678 -28.572 3.471 1.00 0.00 H new ATOM 0 HA PHE A 123 79.753 -26.056 1.883 1.00 0.00 H new ATOM 0 HB2 PHE A 123 81.043 -27.486 0.386 1.00 0.00 H new ATOM 0 HB3 PHE A 123 81.607 -27.771 2.021 1.00 0.00 H new ATOM 0 HD1 PHE A 123 79.807 -29.210 -0.879 1.00 0.00 H new ATOM 0 HD2 PHE A 123 81.212 -29.944 3.168 1.00 0.00 H new ATOM 0 HE1 PHE A 123 79.428 -31.671 -1.193 1.00 0.00 H new ATOM 0 HE2 PHE A 123 80.830 -32.403 2.855 1.00 0.00 H new ATOM 0 HZ PHE A 123 79.938 -33.267 0.674 1.00 0.00 H new ATOM 1422 N PHE A 124 77.923 -26.376 0.258 1.00 0.00 N ATOM 1423 CA PHE A 124 76.738 -26.524 -0.643 1.00 0.00 C ATOM 1424 C PHE A 124 76.854 -25.559 -1.827 1.00 0.00 C ATOM 1425 O PHE A 124 77.642 -24.631 -1.797 1.00 0.00 O ATOM 1426 CB PHE A 124 75.513 -26.201 0.220 1.00 0.00 C ATOM 1427 CG PHE A 124 75.535 -24.816 0.828 1.00 0.00 C ATOM 1428 CD1 PHE A 124 75.016 -23.705 0.094 1.00 0.00 C ATOM 1429 CD2 PHE A 124 76.073 -24.618 2.137 1.00 0.00 C ATOM 1430 CE1 PHE A 124 75.035 -22.396 0.668 1.00 0.00 C ATOM 1431 CE2 PHE A 124 76.093 -23.310 2.712 1.00 0.00 C ATOM 1432 CZ PHE A 124 75.574 -22.198 1.977 1.00 0.00 C ATOM 0 H PHE A 124 78.389 -25.470 0.204 1.00 0.00 H new ATOM 0 HA PHE A 124 76.665 -27.528 -1.062 1.00 0.00 H new ATOM 0 HB2 PHE A 124 74.615 -26.305 -0.389 1.00 0.00 H new ATOM 0 HB3 PHE A 124 75.442 -26.937 1.021 1.00 0.00 H new ATOM 0 HD1 PHE A 124 74.609 -23.855 -0.895 1.00 0.00 H new ATOM 0 HD2 PHE A 124 76.465 -25.458 2.692 1.00 0.00 H new ATOM 0 HE1 PHE A 124 74.642 -21.557 0.113 1.00 0.00 H new ATOM 0 HE2 PHE A 124 76.500 -23.161 3.701 1.00 0.00 H new ATOM 0 HZ PHE A 124 75.589 -21.209 2.411 1.00 0.00 H new ATOM 1442 N ASP A 125 76.072 -25.780 -2.861 1.00 0.00 N ATOM 1443 CA ASP A 125 76.121 -24.897 -4.068 1.00 0.00 C ATOM 1444 C ASP A 125 74.784 -24.950 -4.814 1.00 0.00 C ATOM 1445 O ASP A 125 74.046 -25.912 -4.699 1.00 0.00 O ATOM 1446 CB ASP A 125 77.244 -25.466 -4.937 1.00 0.00 C ATOM 1447 CG ASP A 125 78.597 -24.970 -4.420 1.00 0.00 C ATOM 1448 OD1 ASP A 125 78.704 -23.788 -4.134 1.00 0.00 O ATOM 1449 OD2 ASP A 125 79.502 -25.782 -4.317 1.00 0.00 O ATOM 0 H ASP A 125 75.397 -26.542 -2.918 1.00 0.00 H new ATOM 0 HA ASP A 125 76.300 -23.854 -3.808 1.00 0.00 H new ATOM 0 HB2 ASP A 125 77.214 -26.555 -4.920 1.00 0.00 H new ATOM 0 HB3 ASP A 125 77.105 -25.160 -5.974 1.00 0.00 H new ATOM 1454 N GLY A 126 74.479 -23.920 -5.573 1.00 0.00 N ATOM 1455 CA GLY A 126 73.198 -23.884 -6.343 1.00 0.00 C ATOM 1456 C GLY A 126 72.080 -23.334 -5.452 1.00 0.00 C ATOM 1457 O GLY A 126 72.261 -23.173 -4.257 1.00 0.00 O ATOM 0 H GLY A 126 75.071 -23.097 -5.690 1.00 0.00 H new ATOM 0 HA2 GLY A 126 73.312 -23.259 -7.229 1.00 0.00 H new ATOM 0 HA3 GLY A 126 72.942 -24.885 -6.690 1.00 0.00 H new ATOM 1461 N SER A 127 70.935 -23.052 -6.030 1.00 0.00 N ATOM 1462 CA SER A 127 69.783 -22.519 -5.231 1.00 0.00 C ATOM 1463 C SER A 127 69.053 -23.665 -4.525 1.00 0.00 C ATOM 1464 O SER A 127 69.171 -24.813 -4.917 1.00 0.00 O ATOM 1465 CB SER A 127 68.855 -21.838 -6.243 1.00 0.00 C ATOM 1466 OG SER A 127 68.286 -22.822 -7.096 1.00 0.00 O ATOM 0 H SER A 127 70.748 -23.169 -7.026 1.00 0.00 H new ATOM 0 HA SER A 127 70.114 -21.824 -4.459 1.00 0.00 H new ATOM 0 HB2 SER A 127 68.068 -21.293 -5.722 1.00 0.00 H new ATOM 0 HB3 SER A 127 69.412 -21.109 -6.831 1.00 0.00 H new ATOM 0 HG SER A 127 67.691 -22.389 -7.743 1.00 0.00 H new ATOM 1472 N ILE A 128 68.305 -23.353 -3.490 1.00 0.00 N ATOM 1473 CA ILE A 128 67.542 -24.409 -2.744 1.00 0.00 C ATOM 1474 C ILE A 128 66.147 -24.560 -3.371 1.00 0.00 C ATOM 1475 O ILE A 128 65.463 -23.581 -3.610 1.00 0.00 O ATOM 1476 CB ILE A 128 67.450 -23.911 -1.287 1.00 0.00 C ATOM 1477 CG1 ILE A 128 68.856 -23.727 -0.699 1.00 0.00 C ATOM 1478 CG2 ILE A 128 66.692 -24.931 -0.425 1.00 0.00 C ATOM 1479 CD1 ILE A 128 68.769 -22.916 0.597 1.00 0.00 C ATOM 0 H ILE A 128 68.190 -22.406 -3.128 1.00 0.00 H new ATOM 0 HA ILE A 128 68.025 -25.385 -2.786 1.00 0.00 H new ATOM 0 HB ILE A 128 66.921 -22.958 -1.287 1.00 0.00 H new ATOM 0 HG12 ILE A 128 69.309 -24.699 -0.502 1.00 0.00 H new ATOM 0 HG13 ILE A 128 69.497 -23.216 -1.417 1.00 0.00 H new ATOM 0 HG21 ILE A 128 66.634 -24.568 0.601 1.00 0.00 H new ATOM 0 HG22 ILE A 128 65.685 -25.065 -0.820 1.00 0.00 H new ATOM 0 HG23 ILE A 128 67.218 -25.885 -0.443 1.00 0.00 H new ATOM 0 HD11 ILE A 128 69.768 -22.786 1.013 1.00 0.00 H new ATOM 0 HD12 ILE A 128 68.334 -21.939 0.386 1.00 0.00 H new ATOM 0 HD13 ILE A 128 68.143 -23.445 1.316 1.00 0.00 H new ATOM 1491 N ARG A 129 65.735 -25.782 -3.630 1.00 0.00 N ATOM 1492 CA ARG A 129 64.389 -26.026 -4.240 1.00 0.00 C ATOM 1493 C ARG A 129 63.334 -26.194 -3.143 1.00 0.00 C ATOM 1494 O ARG A 129 62.504 -25.311 -3.005 1.00 0.00 O ATOM 1495 CB ARG A 129 64.535 -27.321 -5.044 1.00 0.00 C ATOM 1496 CG ARG A 129 63.292 -27.527 -5.912 1.00 0.00 C ATOM 1497 CD ARG A 129 63.428 -28.836 -6.697 1.00 0.00 C ATOM 1498 NE ARG A 129 62.236 -28.889 -7.611 1.00 0.00 N ATOM 1499 CZ ARG A 129 61.781 -30.025 -8.115 1.00 0.00 C ATOM 1500 NH1 ARG A 129 62.345 -31.186 -7.868 1.00 0.00 N ATOM 1501 NH2 ARG A 129 60.734 -29.989 -8.893 1.00 0.00 N ATOM 1502 OXT ARG A 129 63.376 -27.204 -2.460 1.00 0.00 O ATOM 0 H ARG A 129 66.279 -26.624 -3.443 1.00 0.00 H new ATOM 0 HA ARG A 129 64.069 -25.195 -4.868 1.00 0.00 H new ATOM 0 HB2 ARG A 129 65.425 -27.274 -5.671 1.00 0.00 H new ATOM 0 HB3 ARG A 129 64.665 -28.167 -4.370 1.00 0.00 H new ATOM 0 HG2 ARG A 129 62.400 -27.557 -5.287 1.00 0.00 H new ATOM 0 HG3 ARG A 129 63.172 -26.689 -6.599 1.00 0.00 H new ATOM 0 HD2 ARG A 129 64.358 -28.857 -7.265 1.00 0.00 H new ATOM 0 HD3 ARG A 129 63.445 -29.695 -6.026 1.00 0.00 H new ATOM 0 HE ARG A 129 61.761 -28.019 -7.851 1.00 0.00 H new ATOM 0 HH11 ARG A 129 63.167 -31.236 -7.266 1.00 0.00 H new ATOM 0 HH12 ARG A 129 61.961 -32.037 -8.278 1.00 0.00 H new ATOM 0 HH21 ARG A 129 60.284 -29.098 -9.101 1.00 0.00 H new ATOM 0 HH22 ARG A 129 60.366 -30.852 -9.293 1.00 0.00 H new TER 1516 ARG A 129