USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 560 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 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 2 GLN : amide:sc= -0.165 K(o=-0.16,f=-1.8!) USER MOD Single : A 4 TYR OH : rot 180:sc= -0.0972 USER MOD Single : A 5 ASN : amide:sc= -0.363 X(o=-0.36,f=-0.014) USER MOD Single : A 8 ASN : amide:sc= -1.25 K(o=-1.3,f=-0.58) USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.116 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 117:sc=0.000224 USER MOD Single : A 18 ASN : amide:sc= -1.2! K(o=-1.2!,f=-0.15) USER MOD Single : A 21 SER OG : rot -46:sc= 0.00309 USER MOD Single : A 29 THR OG1 : rot 180:sc=-0.00789 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -6.91! C(o=-6.9!,f=-21!) USER MOD Single : A 36 TYR OH : rot 72:sc= 0.0179 USER MOD Single : A 37 ASN : amide:sc= -1.33! C(o=-1.3!,f=-3.9!) USER MOD Single : A 38 LYS NZ :NH3+ -158:sc= 0.111 (180deg=0.0271) USER MOD Single : A 41 LYS NZ :NH3+ 158:sc= -0.294 (180deg=-1.14) USER MOD Single : A 44 HIS : no HD1:sc= -1.58 K(o=-1.6,f=-0.24) USER MOD Single : A 46 ASN : amide:sc= -0.345 X(o=-0.35,f=-0.67) USER MOD Single : A 48 ASN : amide:sc= -1.94! K(o=-1.9!,f=-0.61) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0331 USER MOD Single : A 52 THR OG1 : rot 98:sc= 0.782 USER MOD Single : A 57 ASN : amide:sc= -0.276 X(o=-0.28,f=0) USER MOD Single : A 60 THR OG1 : rot -160:sc= 0.0252 USER MOD Single : A 61 TYR OH : rot 130:sc= -4.81! USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -7.89! C(o=-7.9!,f=-12!) USER MOD Single : A 72 ASN : amide:sc= -0.0391 X(o=-0.039,f=0) USER MOD Single : A 74 GLN : amide:sc= -2.29 K(o=-2.3,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 3.423 -11.974 -5.007 1.00 0.00 N ATOM 2 CA LEU A 1 3.807 -10.676 -5.629 1.00 0.00 C ATOM 3 C LEU A 1 4.377 -9.746 -4.556 1.00 0.00 C ATOM 4 O LEU A 1 3.818 -9.600 -3.487 1.00 0.00 O ATOM 5 CB LEU A 1 2.577 -10.027 -6.266 1.00 0.00 C ATOM 6 CG LEU A 1 3.006 -9.194 -7.475 1.00 0.00 C ATOM 7 CD1 LEU A 1 2.921 -10.046 -8.743 1.00 0.00 C ATOM 8 CD2 LEU A 1 2.078 -7.986 -7.612 1.00 0.00 C ATOM 0 H1 LEU A 1 3.035 -12.607 -5.736 1.00 0.00 H new ATOM 0 H2 LEU A 1 4.261 -12.414 -4.576 1.00 0.00 H new ATOM 0 H3 LEU A 1 2.704 -11.808 -4.274 1.00 0.00 H new ATOM 0 HA LEU A 1 4.561 -10.852 -6.397 1.00 0.00 H new ATOM 0 HB2 LEU A 1 1.867 -10.794 -6.574 1.00 0.00 H new ATOM 0 HB3 LEU A 1 2.068 -9.395 -5.538 1.00 0.00 H new ATOM 0 HG LEU A 1 4.032 -8.855 -7.336 1.00 0.00 H new ATOM 0 HD11 LEU A 1 3.227 -9.450 -9.603 1.00 0.00 H new ATOM 0 HD12 LEU A 1 3.580 -10.909 -8.646 1.00 0.00 H new ATOM 0 HD13 LEU A 1 1.895 -10.387 -8.884 1.00 0.00 H new ATOM 0 HD21 LEU A 1 2.381 -7.390 -8.473 1.00 0.00 H new ATOM 0 HD22 LEU A 1 1.053 -8.329 -7.751 1.00 0.00 H new ATOM 0 HD23 LEU A 1 2.138 -7.377 -6.710 1.00 0.00 H new ATOM 22 N GLN A 2 5.486 -9.119 -4.832 1.00 0.00 N ATOM 23 CA GLN A 2 6.094 -8.203 -3.828 1.00 0.00 C ATOM 24 C GLN A 2 5.781 -6.752 -4.201 1.00 0.00 C ATOM 25 O GLN A 2 5.549 -6.432 -5.349 1.00 0.00 O ATOM 26 CB GLN A 2 7.610 -8.409 -3.805 1.00 0.00 C ATOM 27 CG GLN A 2 7.937 -9.732 -3.108 1.00 0.00 C ATOM 28 CD GLN A 2 9.225 -10.315 -3.692 1.00 0.00 C ATOM 29 OE1 GLN A 2 9.503 -10.152 -4.864 1.00 0.00 O ATOM 30 NE2 GLN A 2 10.030 -10.993 -2.920 1.00 0.00 N ATOM 0 H GLN A 2 5.998 -9.201 -5.710 1.00 0.00 H new ATOM 0 HA GLN A 2 5.682 -8.419 -2.842 1.00 0.00 H new ATOM 0 HB2 GLN A 2 8.002 -8.415 -4.822 1.00 0.00 H new ATOM 0 HB3 GLN A 2 8.092 -7.582 -3.283 1.00 0.00 H new ATOM 0 HG2 GLN A 2 8.052 -9.571 -2.036 1.00 0.00 H new ATOM 0 HG3 GLN A 2 7.115 -10.436 -3.238 1.00 0.00 H new ATOM 0 HE21 GLN A 2 9.798 -11.130 -1.936 1.00 0.00 H new ATOM 0 HE22 GLN A 2 10.891 -11.385 -3.300 1.00 0.00 H new ATOM 39 N CYS A 3 5.768 -5.874 -3.237 1.00 0.00 N ATOM 40 CA CYS A 3 5.467 -4.446 -3.536 1.00 0.00 C ATOM 41 C CYS A 3 6.075 -3.551 -2.454 1.00 0.00 C ATOM 42 O CYS A 3 6.406 -4.002 -1.376 1.00 0.00 O ATOM 43 CB CYS A 3 3.954 -4.243 -3.570 1.00 0.00 C ATOM 44 SG CYS A 3 3.290 -4.896 -5.122 1.00 0.00 S ATOM 0 H CYS A 3 5.953 -6.083 -2.256 1.00 0.00 H new ATOM 0 HA CYS A 3 5.895 -4.183 -4.503 1.00 0.00 H new ATOM 0 HB2 CYS A 3 3.490 -4.748 -2.723 1.00 0.00 H new ATOM 0 HB3 CYS A 3 3.717 -3.183 -3.478 1.00 0.00 H new ATOM 49 N TYR A 4 6.223 -2.285 -2.733 1.00 0.00 N ATOM 50 CA TYR A 4 6.806 -1.363 -1.718 1.00 0.00 C ATOM 51 C TYR A 4 5.691 -0.832 -0.816 1.00 0.00 C ATOM 52 O TYR A 4 4.997 0.106 -1.156 1.00 0.00 O ATOM 53 CB TYR A 4 7.491 -0.190 -2.424 1.00 0.00 C ATOM 54 CG TYR A 4 8.607 -0.710 -3.297 1.00 0.00 C ATOM 55 CD1 TYR A 4 8.341 -1.102 -4.615 1.00 0.00 C ATOM 56 CD2 TYR A 4 9.910 -0.798 -2.790 1.00 0.00 C ATOM 57 CE1 TYR A 4 9.377 -1.582 -5.424 1.00 0.00 C ATOM 58 CE2 TYR A 4 10.945 -1.278 -3.600 1.00 0.00 C ATOM 59 CZ TYR A 4 10.679 -1.670 -4.917 1.00 0.00 C ATOM 60 OH TYR A 4 11.700 -2.142 -5.714 1.00 0.00 O ATOM 0 H TYR A 4 5.966 -1.850 -3.619 1.00 0.00 H new ATOM 0 HA TYR A 4 7.538 -1.901 -1.117 1.00 0.00 H new ATOM 0 HB2 TYR A 4 6.767 0.357 -3.028 1.00 0.00 H new ATOM 0 HB3 TYR A 4 7.887 0.510 -1.688 1.00 0.00 H new ATOM 0 HD1 TYR A 4 7.337 -1.034 -5.007 1.00 0.00 H new ATOM 0 HD2 TYR A 4 10.116 -0.495 -1.774 1.00 0.00 H new ATOM 0 HE1 TYR A 4 9.172 -1.885 -6.440 1.00 0.00 H new ATOM 0 HE2 TYR A 4 11.949 -1.346 -3.209 1.00 0.00 H new ATOM 0 HH TYR A 4 12.539 -2.137 -5.208 1.00 0.00 H new ATOM 70 N ASN A 5 5.510 -1.425 0.332 1.00 0.00 N ATOM 71 CA ASN A 5 4.437 -0.952 1.252 1.00 0.00 C ATOM 72 C ASN A 5 5.059 -0.138 2.388 1.00 0.00 C ATOM 73 O ASN A 5 6.051 -0.527 2.973 1.00 0.00 O ATOM 74 CB ASN A 5 3.695 -2.158 1.832 1.00 0.00 C ATOM 75 CG ASN A 5 2.605 -1.678 2.790 1.00 0.00 C ATOM 76 OD1 ASN A 5 2.791 -1.677 3.991 1.00 0.00 O ATOM 77 ND2 ASN A 5 1.462 -1.267 2.308 1.00 0.00 N ATOM 0 H ASN A 5 6.058 -2.215 0.672 1.00 0.00 H new ATOM 0 HA ASN A 5 3.736 -0.325 0.701 1.00 0.00 H new ATOM 0 HB2 ASN A 5 3.253 -2.747 1.028 1.00 0.00 H new ATOM 0 HB3 ASN A 5 4.394 -2.809 2.357 1.00 0.00 H new ATOM 0 HD21 ASN A 5 0.728 -0.946 2.939 1.00 0.00 H new ATOM 0 HD22 ASN A 5 1.304 -1.267 1.300 1.00 0.00 H new ATOM 84 N CYS A 6 4.488 0.991 2.702 1.00 0.00 N ATOM 85 CA CYS A 6 5.047 1.829 3.799 1.00 0.00 C ATOM 86 C CYS A 6 3.923 2.222 4.761 1.00 0.00 C ATOM 87 O CYS A 6 2.762 2.024 4.469 1.00 0.00 O ATOM 88 CB CYS A 6 5.675 3.092 3.205 1.00 0.00 C ATOM 89 SG CYS A 6 7.477 2.920 3.185 1.00 0.00 S ATOM 0 H CYS A 6 3.658 1.370 2.246 1.00 0.00 H new ATOM 0 HA CYS A 6 5.807 1.264 4.339 1.00 0.00 H new ATOM 0 HB2 CYS A 6 5.303 3.254 2.193 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.389 3.964 3.793 1.00 0.00 H new ATOM 94 N PRO A 7 4.308 2.772 5.885 1.00 0.00 N ATOM 95 CA PRO A 7 3.357 3.210 6.918 1.00 0.00 C ATOM 96 C PRO A 7 2.734 4.552 6.526 1.00 0.00 C ATOM 97 O PRO A 7 1.716 4.956 7.054 1.00 0.00 O ATOM 98 CB PRO A 7 4.228 3.357 8.168 1.00 0.00 C ATOM 99 CG PRO A 7 5.680 3.551 7.668 1.00 0.00 C ATOM 100 CD PRO A 7 5.726 3.005 6.229 1.00 0.00 C ATOM 0 HA PRO A 7 2.528 2.518 7.063 1.00 0.00 H new ATOM 0 HB2 PRO A 7 3.907 4.209 8.767 1.00 0.00 H new ATOM 0 HB3 PRO A 7 4.150 2.474 8.802 1.00 0.00 H new ATOM 0 HG2 PRO A 7 5.961 4.604 7.692 1.00 0.00 H new ATOM 0 HG3 PRO A 7 6.384 3.019 8.307 1.00 0.00 H new ATOM 0 HD2 PRO A 7 6.189 3.718 5.547 1.00 0.00 H new ATOM 0 HD3 PRO A 7 6.307 2.084 6.171 1.00 0.00 H new ATOM 108 N ASN A 8 3.340 5.246 5.602 1.00 0.00 N ATOM 109 CA ASN A 8 2.789 6.560 5.172 1.00 0.00 C ATOM 110 C ASN A 8 2.881 6.674 3.649 1.00 0.00 C ATOM 111 O ASN A 8 3.659 5.982 3.024 1.00 0.00 O ATOM 112 CB ASN A 8 3.595 7.690 5.819 1.00 0.00 C ATOM 113 CG ASN A 8 4.106 7.237 7.189 1.00 0.00 C ATOM 114 OD1 ASN A 8 3.361 7.205 8.149 1.00 0.00 O ATOM 115 ND2 ASN A 8 5.355 6.883 7.321 1.00 0.00 N ATOM 0 H ASN A 8 4.195 4.958 5.126 1.00 0.00 H new ATOM 0 HA ASN A 8 1.747 6.637 5.481 1.00 0.00 H new ATOM 0 HB2 ASN A 8 4.434 7.964 5.179 1.00 0.00 H new ATOM 0 HB3 ASN A 8 2.973 8.578 5.927 1.00 0.00 H new ATOM 0 HD21 ASN A 8 5.706 6.580 8.229 1.00 0.00 H new ATOM 0 HD22 ASN A 8 5.980 6.910 6.516 1.00 0.00 H new ATOM 122 N PRO A 9 2.078 7.546 3.097 1.00 0.00 N ATOM 123 CA PRO A 9 2.041 7.778 1.644 1.00 0.00 C ATOM 124 C PRO A 9 3.239 8.619 1.207 1.00 0.00 C ATOM 125 O PRO A 9 3.143 9.814 1.013 1.00 0.00 O ATOM 126 CB PRO A 9 0.724 8.530 1.431 1.00 0.00 C ATOM 127 CG PRO A 9 0.364 9.172 2.793 1.00 0.00 C ATOM 128 CD PRO A 9 1.136 8.383 3.869 1.00 0.00 C ATOM 0 HA PRO A 9 2.094 6.859 1.060 1.00 0.00 H new ATOM 0 HB2 PRO A 9 0.832 9.292 0.659 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.062 7.851 1.101 1.00 0.00 H new ATOM 0 HG2 PRO A 9 0.643 10.226 2.810 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -0.710 9.123 2.973 1.00 0.00 H new ATOM 0 HD2 PRO A 9 1.663 9.050 4.551 1.00 0.00 H new ATOM 0 HD3 PRO A 9 0.465 7.773 4.474 1.00 0.00 H new ATOM 136 N THR A 10 4.370 7.992 1.052 1.00 0.00 N ATOM 137 CA THR A 10 5.589 8.736 0.624 1.00 0.00 C ATOM 138 C THR A 10 5.865 8.455 -0.856 1.00 0.00 C ATOM 139 O THR A 10 5.375 7.494 -1.416 1.00 0.00 O ATOM 140 CB THR A 10 6.787 8.283 1.463 1.00 0.00 C ATOM 141 OG1 THR A 10 7.983 8.801 0.896 1.00 0.00 O ATOM 142 CG2 THR A 10 6.849 6.755 1.487 1.00 0.00 C ATOM 0 H THR A 10 4.505 6.992 1.204 1.00 0.00 H new ATOM 0 HA THR A 10 5.431 9.805 0.767 1.00 0.00 H new ATOM 0 HB THR A 10 6.678 8.654 2.482 1.00 0.00 H new ATOM 0 HG1 THR A 10 8.751 8.513 1.433 1.00 0.00 H new ATOM 0 HG21 THR A 10 7.702 6.435 2.085 1.00 0.00 H new ATOM 0 HG22 THR A 10 5.932 6.360 1.924 1.00 0.00 H new ATOM 0 HG23 THR A 10 6.957 6.379 0.470 1.00 0.00 H new ATOM 150 N ALA A 11 6.642 9.288 -1.494 1.00 0.00 N ATOM 151 CA ALA A 11 6.945 9.069 -2.938 1.00 0.00 C ATOM 152 C ALA A 11 8.359 8.503 -3.086 1.00 0.00 C ATOM 153 O ALA A 11 9.071 8.817 -4.020 1.00 0.00 O ATOM 154 CB ALA A 11 6.848 10.400 -3.686 1.00 0.00 C ATOM 0 H ALA A 11 7.080 10.110 -1.078 1.00 0.00 H new ATOM 0 HA ALA A 11 6.227 8.363 -3.355 1.00 0.00 H new ATOM 0 HB1 ALA A 11 7.069 10.241 -4.741 1.00 0.00 H new ATOM 0 HB2 ALA A 11 5.840 10.803 -3.583 1.00 0.00 H new ATOM 0 HB3 ALA A 11 7.565 11.106 -3.267 1.00 0.00 H new ATOM 160 N ASP A 12 8.772 7.669 -2.173 1.00 0.00 N ATOM 161 CA ASP A 12 10.138 7.083 -2.262 1.00 0.00 C ATOM 162 C ASP A 12 10.270 5.964 -1.228 1.00 0.00 C ATOM 163 O ASP A 12 11.323 5.744 -0.664 1.00 0.00 O ATOM 164 CB ASP A 12 11.179 8.167 -1.982 1.00 0.00 C ATOM 165 CG ASP A 12 12.422 7.914 -2.837 1.00 0.00 C ATOM 166 OD1 ASP A 12 12.323 8.045 -4.047 1.00 0.00 O ATOM 167 OD2 ASP A 12 13.453 7.595 -2.268 1.00 0.00 O ATOM 0 H ASP A 12 8.222 7.368 -1.368 1.00 0.00 H new ATOM 0 HA ASP A 12 10.301 6.680 -3.261 1.00 0.00 H new ATOM 0 HB2 ASP A 12 10.765 9.150 -2.205 1.00 0.00 H new ATOM 0 HB3 ASP A 12 11.445 8.166 -0.925 1.00 0.00 H new ATOM 172 N CYS A 13 9.202 5.259 -0.975 1.00 0.00 N ATOM 173 CA CYS A 13 9.250 4.155 0.023 1.00 0.00 C ATOM 174 C CYS A 13 10.125 3.018 -0.510 1.00 0.00 C ATOM 175 O CYS A 13 9.883 2.481 -1.571 1.00 0.00 O ATOM 176 CB CYS A 13 7.829 3.637 0.265 1.00 0.00 C ATOM 177 SG CYS A 13 7.884 2.187 1.347 1.00 0.00 S ATOM 0 H CYS A 13 8.295 5.401 -1.419 1.00 0.00 H new ATOM 0 HA CYS A 13 9.672 4.524 0.958 1.00 0.00 H new ATOM 0 HB2 CYS A 13 7.219 4.418 0.719 1.00 0.00 H new ATOM 0 HB3 CYS A 13 7.360 3.377 -0.684 1.00 0.00 H new ATOM 182 N LYS A 14 11.144 2.648 0.219 1.00 0.00 N ATOM 183 CA LYS A 14 12.033 1.546 -0.247 1.00 0.00 C ATOM 184 C LYS A 14 11.837 0.316 0.644 1.00 0.00 C ATOM 185 O LYS A 14 12.721 -0.504 0.791 1.00 0.00 O ATOM 186 CB LYS A 14 13.493 2.000 -0.177 1.00 0.00 C ATOM 187 CG LYS A 14 13.708 2.844 1.080 1.00 0.00 C ATOM 188 CD LYS A 14 15.205 3.093 1.279 1.00 0.00 C ATOM 189 CE LYS A 14 15.938 1.754 1.376 1.00 0.00 C ATOM 190 NZ LYS A 14 17.017 1.848 2.400 1.00 0.00 N ATOM 0 H LYS A 14 11.398 3.061 1.116 1.00 0.00 H new ATOM 0 HA LYS A 14 11.782 1.291 -1.277 1.00 0.00 H new ATOM 0 HB2 LYS A 14 14.154 1.133 -0.163 1.00 0.00 H new ATOM 0 HB3 LYS A 14 13.747 2.580 -1.064 1.00 0.00 H new ATOM 0 HG2 LYS A 14 13.180 3.793 0.988 1.00 0.00 H new ATOM 0 HG3 LYS A 14 13.295 2.332 1.949 1.00 0.00 H new ATOM 0 HD2 LYS A 14 15.601 3.677 0.448 1.00 0.00 H new ATOM 0 HD3 LYS A 14 15.370 3.676 2.185 1.00 0.00 H new ATOM 0 HE2 LYS A 14 15.237 0.963 1.643 1.00 0.00 H new ATOM 0 HE3 LYS A 14 16.363 1.490 0.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 17.514 0.937 2.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 17.691 2.592 2.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 16.600 2.081 3.324 1.00 0.00 H new ATOM 204 N THR A 15 10.684 0.179 1.238 1.00 0.00 N ATOM 205 CA THR A 15 10.432 -0.998 2.115 1.00 0.00 C ATOM 206 C THR A 15 9.956 -2.176 1.264 1.00 0.00 C ATOM 207 O THR A 15 8.834 -2.627 1.382 1.00 0.00 O ATOM 208 CB THR A 15 9.358 -0.649 3.148 1.00 0.00 C ATOM 209 OG1 THR A 15 9.896 0.256 4.103 1.00 0.00 O ATOM 210 CG2 THR A 15 8.894 -1.924 3.856 1.00 0.00 C ATOM 0 H THR A 15 9.905 0.832 1.154 1.00 0.00 H new ATOM 0 HA THR A 15 11.354 -1.269 2.629 1.00 0.00 H new ATOM 0 HB THR A 15 8.509 -0.185 2.646 1.00 0.00 H new ATOM 0 HG1 THR A 15 9.414 1.108 4.055 1.00 0.00 H new ATOM 0 HG21 THR A 15 8.129 -1.674 4.591 1.00 0.00 H new ATOM 0 HG22 THR A 15 8.480 -2.617 3.123 1.00 0.00 H new ATOM 0 HG23 THR A 15 9.742 -2.390 4.358 1.00 0.00 H new ATOM 218 N ALA A 16 10.799 -2.679 0.405 1.00 0.00 N ATOM 219 CA ALA A 16 10.393 -3.828 -0.452 1.00 0.00 C ATOM 220 C ALA A 16 9.964 -4.997 0.437 1.00 0.00 C ATOM 221 O ALA A 16 10.728 -5.489 1.241 1.00 0.00 O ATOM 222 CB ALA A 16 11.573 -4.258 -1.324 1.00 0.00 C ATOM 0 H ALA A 16 11.751 -2.344 0.260 1.00 0.00 H new ATOM 0 HA ALA A 16 9.561 -3.530 -1.090 1.00 0.00 H new ATOM 0 HB1 ALA A 16 11.275 -5.099 -1.951 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.881 -3.425 -1.956 1.00 0.00 H new ATOM 0 HB3 ALA A 16 12.406 -4.557 -0.688 1.00 0.00 H new ATOM 228 N VAL A 17 8.748 -5.446 0.297 1.00 0.00 N ATOM 229 CA VAL A 17 8.272 -6.583 1.133 1.00 0.00 C ATOM 230 C VAL A 17 7.142 -7.308 0.402 1.00 0.00 C ATOM 231 O VAL A 17 6.351 -6.701 -0.293 1.00 0.00 O ATOM 232 CB VAL A 17 7.756 -6.052 2.472 1.00 0.00 C ATOM 233 CG1 VAL A 17 6.793 -4.890 2.226 1.00 0.00 C ATOM 234 CG2 VAL A 17 7.022 -7.173 3.214 1.00 0.00 C ATOM 0 H VAL A 17 8.063 -5.074 -0.361 1.00 0.00 H new ATOM 0 HA VAL A 17 9.095 -7.275 1.312 1.00 0.00 H new ATOM 0 HB VAL A 17 8.597 -5.705 3.073 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.426 -4.513 3.181 1.00 0.00 H new ATOM 0 HG12 VAL A 17 7.313 -4.092 1.696 1.00 0.00 H new ATOM 0 HG13 VAL A 17 5.952 -5.236 1.625 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.653 -6.797 4.168 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.182 -7.519 2.612 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.707 -8.002 3.391 1.00 0.00 H new ATOM 244 N ASN A 18 7.055 -8.600 0.552 1.00 0.00 N ATOM 245 CA ASN A 18 5.966 -9.347 -0.139 1.00 0.00 C ATOM 246 C ASN A 18 4.707 -9.310 0.725 1.00 0.00 C ATOM 247 O ASN A 18 4.736 -9.624 1.898 1.00 0.00 O ATOM 248 CB ASN A 18 6.379 -10.804 -0.393 1.00 0.00 C ATOM 249 CG ASN A 18 7.337 -11.286 0.698 1.00 0.00 C ATOM 250 OD1 ASN A 18 6.935 -11.926 1.649 1.00 0.00 O ATOM 251 ND2 ASN A 18 8.602 -10.982 0.559 1.00 0.00 N ATOM 0 H ASN A 18 7.685 -9.168 1.118 1.00 0.00 H new ATOM 0 HA ASN A 18 5.771 -8.875 -1.102 1.00 0.00 H new ATOM 0 HB2 ASN A 18 5.494 -11.440 -0.416 1.00 0.00 H new ATOM 0 HB3 ASN A 18 6.857 -10.888 -1.369 1.00 0.00 H new ATOM 0 HD21 ASN A 18 9.279 -11.284 1.260 1.00 0.00 H new ATOM 0 HD22 ASN A 18 8.911 -10.443 -0.250 1.00 0.00 H new ATOM 257 N CYS A 19 3.601 -8.923 0.152 1.00 0.00 N ATOM 258 CA CYS A 19 2.338 -8.861 0.945 1.00 0.00 C ATOM 259 C CYS A 19 1.453 -10.062 0.599 1.00 0.00 C ATOM 260 O CYS A 19 1.124 -10.863 1.451 1.00 0.00 O ATOM 261 CB CYS A 19 1.582 -7.554 0.652 1.00 0.00 C ATOM 262 SG CYS A 19 1.759 -7.092 -1.092 1.00 0.00 S ATOM 0 H CYS A 19 3.516 -8.648 -0.826 1.00 0.00 H new ATOM 0 HA CYS A 19 2.588 -8.888 2.006 1.00 0.00 H new ATOM 0 HB2 CYS A 19 0.527 -7.675 0.896 1.00 0.00 H new ATOM 0 HB3 CYS A 19 1.966 -6.755 1.286 1.00 0.00 H new ATOM 267 N SER A 20 1.068 -10.197 -0.642 1.00 0.00 N ATOM 268 CA SER A 20 0.206 -11.347 -1.040 1.00 0.00 C ATOM 269 C SER A 20 -0.875 -11.571 0.020 1.00 0.00 C ATOM 270 O SER A 20 -1.123 -10.726 0.857 1.00 0.00 O ATOM 271 CB SER A 20 1.064 -12.606 -1.170 1.00 0.00 C ATOM 272 OG SER A 20 0.838 -13.196 -2.443 1.00 0.00 O ATOM 0 H SER A 20 1.314 -9.559 -1.399 1.00 0.00 H new ATOM 0 HA SER A 20 -0.268 -11.130 -1.997 1.00 0.00 H new ATOM 0 HB2 SER A 20 2.118 -12.356 -1.054 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.815 -13.313 -0.379 1.00 0.00 H new ATOM 0 HG SER A 20 1.387 -14.003 -2.532 1.00 0.00 H new ATOM 278 N SER A 21 -1.522 -12.704 -0.010 1.00 0.00 N ATOM 279 CA SER A 21 -2.587 -12.985 0.997 1.00 0.00 C ATOM 280 C SER A 21 -3.860 -12.212 0.636 1.00 0.00 C ATOM 281 O SER A 21 -4.875 -12.338 1.291 1.00 0.00 O ATOM 282 CB SER A 21 -2.107 -12.553 2.382 1.00 0.00 C ATOM 283 OG SER A 21 -2.815 -13.287 3.372 1.00 0.00 O ATOM 0 H SER A 21 -1.360 -13.448 -0.688 1.00 0.00 H new ATOM 0 HA SER A 21 -2.803 -14.053 1.001 1.00 0.00 H new ATOM 0 HB2 SER A 21 -1.036 -12.728 2.480 1.00 0.00 H new ATOM 0 HB3 SER A 21 -2.269 -11.484 2.519 1.00 0.00 H new ATOM 0 HG SER A 21 -3.771 -13.291 3.155 1.00 0.00 H new ATOM 289 N ASP A 22 -3.814 -11.416 -0.398 1.00 0.00 N ATOM 290 CA ASP A 22 -5.021 -10.637 -0.797 1.00 0.00 C ATOM 291 C ASP A 22 -4.605 -9.495 -1.725 1.00 0.00 C ATOM 292 O ASP A 22 -5.139 -8.405 -1.663 1.00 0.00 O ATOM 293 CB ASP A 22 -5.694 -10.060 0.450 1.00 0.00 C ATOM 294 CG ASP A 22 -6.955 -10.865 0.770 1.00 0.00 C ATOM 295 OD1 ASP A 22 -7.055 -11.983 0.294 1.00 0.00 O ATOM 296 OD2 ASP A 22 -7.797 -10.351 1.487 1.00 0.00 O ATOM 0 H ASP A 22 -2.992 -11.272 -0.984 1.00 0.00 H new ATOM 0 HA ASP A 22 -5.721 -11.293 -1.316 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -5.006 -10.091 1.295 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -5.950 -9.013 0.286 1.00 0.00 H new ATOM 301 N PHE A 23 -3.653 -9.734 -2.584 1.00 0.00 N ATOM 302 CA PHE A 23 -3.199 -8.662 -3.514 1.00 0.00 C ATOM 303 C PHE A 23 -2.619 -9.297 -4.778 1.00 0.00 C ATOM 304 O PHE A 23 -1.597 -9.954 -4.741 1.00 0.00 O ATOM 305 CB PHE A 23 -2.125 -7.816 -2.828 1.00 0.00 C ATOM 306 CG PHE A 23 -2.499 -7.605 -1.380 1.00 0.00 C ATOM 307 CD1 PHE A 23 -3.372 -6.569 -1.026 1.00 0.00 C ATOM 308 CD2 PHE A 23 -1.974 -8.445 -0.391 1.00 0.00 C ATOM 309 CE1 PHE A 23 -3.719 -6.374 0.316 1.00 0.00 C ATOM 310 CE2 PHE A 23 -2.320 -8.250 0.951 1.00 0.00 C ATOM 311 CZ PHE A 23 -3.194 -7.214 1.304 1.00 0.00 C ATOM 0 H PHE A 23 -3.169 -10.627 -2.682 1.00 0.00 H new ATOM 0 HA PHE A 23 -4.045 -8.029 -3.782 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -1.157 -8.313 -2.896 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -2.026 -6.855 -3.333 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -3.778 -5.920 -1.788 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -1.301 -9.245 -0.664 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -4.392 -5.575 0.589 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -1.913 -8.898 1.714 1.00 0.00 H new ATOM 0 HZ PHE A 23 -3.463 -7.064 2.339 1.00 0.00 H new ATOM 321 N ASP A 24 -3.261 -9.107 -5.897 1.00 0.00 N ATOM 322 CA ASP A 24 -2.744 -9.701 -7.162 1.00 0.00 C ATOM 323 C ASP A 24 -2.412 -8.581 -8.151 1.00 0.00 C ATOM 324 O ASP A 24 -2.222 -8.815 -9.327 1.00 0.00 O ATOM 325 CB ASP A 24 -3.809 -10.617 -7.769 1.00 0.00 C ATOM 326 CG ASP A 24 -3.823 -11.950 -7.020 1.00 0.00 C ATOM 327 OD1 ASP A 24 -3.682 -11.927 -5.808 1.00 0.00 O ATOM 328 OD2 ASP A 24 -3.975 -12.970 -7.670 1.00 0.00 O ATOM 0 H ASP A 24 -4.121 -8.566 -5.991 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.845 -10.280 -6.951 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.789 -10.143 -7.708 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.601 -10.784 -8.826 1.00 0.00 H new ATOM 333 N ALA A 25 -2.343 -7.366 -7.681 1.00 0.00 N ATOM 334 CA ALA A 25 -2.026 -6.233 -8.594 1.00 0.00 C ATOM 335 C ALA A 25 -1.327 -5.122 -7.809 1.00 0.00 C ATOM 336 O ALA A 25 -1.950 -4.390 -7.065 1.00 0.00 O ATOM 337 CB ALA A 25 -3.325 -5.687 -9.194 1.00 0.00 C ATOM 0 H ALA A 25 -2.492 -7.109 -6.705 1.00 0.00 H new ATOM 0 HA ALA A 25 -1.370 -6.583 -9.391 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.096 -4.857 -9.863 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.827 -6.476 -9.753 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.977 -5.338 -8.393 1.00 0.00 H new ATOM 343 N CYS A 26 -0.039 -4.976 -7.973 1.00 0.00 N ATOM 344 CA CYS A 26 0.676 -3.897 -7.238 1.00 0.00 C ATOM 345 C CYS A 26 -0.025 -2.576 -7.537 1.00 0.00 C ATOM 346 O CYS A 26 -0.512 -2.362 -8.628 1.00 0.00 O ATOM 347 CB CYS A 26 2.133 -3.830 -7.703 1.00 0.00 C ATOM 348 SG CYS A 26 3.180 -3.283 -6.332 1.00 0.00 S ATOM 0 H CYS A 26 0.544 -5.553 -8.580 1.00 0.00 H new ATOM 0 HA CYS A 26 0.663 -4.097 -6.167 1.00 0.00 H new ATOM 0 HB2 CYS A 26 2.459 -4.809 -8.055 1.00 0.00 H new ATOM 0 HB3 CYS A 26 2.226 -3.142 -8.543 1.00 0.00 H new ATOM 353 N LEU A 27 -0.115 -1.692 -6.585 1.00 0.00 N ATOM 354 CA LEU A 27 -0.825 -0.415 -6.859 1.00 0.00 C ATOM 355 C LEU A 27 0.086 0.785 -6.612 1.00 0.00 C ATOM 356 O LEU A 27 0.686 0.929 -5.566 1.00 0.00 O ATOM 357 CB LEU A 27 -2.053 -0.330 -5.957 1.00 0.00 C ATOM 358 CG LEU A 27 -2.717 1.036 -6.103 1.00 0.00 C ATOM 359 CD1 LEU A 27 -3.953 0.901 -6.994 1.00 0.00 C ATOM 360 CD2 LEU A 27 -3.136 1.541 -4.721 1.00 0.00 C ATOM 0 H LEU A 27 0.265 -1.795 -5.644 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.126 -0.396 -7.906 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.761 -1.117 -6.218 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.763 -0.493 -4.919 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.019 1.742 -6.553 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.432 1.874 -7.102 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.655 0.532 -7.976 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.654 0.200 -6.540 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.611 2.517 -4.819 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.839 0.838 -4.275 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.256 1.628 -4.083 1.00 0.00 H new ATOM 372 N ILE A 28 0.166 1.658 -7.576 1.00 0.00 N ATOM 373 CA ILE A 28 1.004 2.875 -7.428 1.00 0.00 C ATOM 374 C ILE A 28 0.121 4.095 -7.685 1.00 0.00 C ATOM 375 O ILE A 28 -0.002 4.566 -8.800 1.00 0.00 O ATOM 376 CB ILE A 28 2.149 2.840 -8.442 1.00 0.00 C ATOM 377 CG1 ILE A 28 2.789 4.227 -8.538 1.00 0.00 C ATOM 378 CG2 ILE A 28 1.608 2.437 -9.814 1.00 0.00 C ATOM 379 CD1 ILE A 28 4.272 4.082 -8.882 1.00 0.00 C ATOM 0 H ILE A 28 -0.320 1.577 -8.469 1.00 0.00 H new ATOM 0 HA ILE A 28 1.428 2.922 -6.425 1.00 0.00 H new ATOM 0 HB ILE A 28 2.895 2.114 -8.118 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.284 4.820 -9.301 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.674 4.758 -7.593 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.425 2.413 -10.535 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.152 1.449 -9.749 1.00 0.00 H new ATOM 0 HG23 ILE A 28 0.861 3.161 -10.137 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.728 5.070 -8.950 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.771 3.505 -8.104 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.375 3.568 -9.838 1.00 0.00 H new ATOM 391 N THR A 29 -0.515 4.596 -6.663 1.00 0.00 N ATOM 392 CA THR A 29 -1.408 5.773 -6.841 1.00 0.00 C ATOM 393 C THR A 29 -0.633 7.055 -6.543 1.00 0.00 C ATOM 394 O THR A 29 0.304 7.062 -5.770 1.00 0.00 O ATOM 395 CB THR A 29 -2.597 5.648 -5.883 1.00 0.00 C ATOM 396 OG1 THR A 29 -3.494 4.660 -6.373 1.00 0.00 O ATOM 397 CG2 THR A 29 -3.325 6.990 -5.777 1.00 0.00 C ATOM 0 H THR A 29 -0.454 4.239 -5.709 1.00 0.00 H new ATOM 0 HA THR A 29 -1.770 5.809 -7.868 1.00 0.00 H new ATOM 0 HB THR A 29 -2.235 5.359 -4.896 1.00 0.00 H new ATOM 0 HG1 THR A 29 -4.255 4.577 -5.761 1.00 0.00 H new ATOM 0 HG21 THR A 29 -4.169 6.893 -5.094 1.00 0.00 H new ATOM 0 HG22 THR A 29 -2.638 7.748 -5.400 1.00 0.00 H new ATOM 0 HG23 THR A 29 -3.687 7.286 -6.762 1.00 0.00 H new ATOM 405 N LYS A 30 -1.015 8.141 -7.155 1.00 0.00 N ATOM 406 CA LYS A 30 -0.301 9.425 -6.910 1.00 0.00 C ATOM 407 C LYS A 30 -1.305 10.577 -6.949 1.00 0.00 C ATOM 408 O LYS A 30 -1.522 11.192 -7.975 1.00 0.00 O ATOM 409 CB LYS A 30 0.758 9.632 -7.994 1.00 0.00 C ATOM 410 CG LYS A 30 2.101 9.960 -7.338 1.00 0.00 C ATOM 411 CD LYS A 30 2.959 10.768 -8.314 1.00 0.00 C ATOM 412 CE LYS A 30 4.438 10.590 -7.965 1.00 0.00 C ATOM 413 NZ LYS A 30 5.125 9.860 -9.068 1.00 0.00 N ATOM 0 H LYS A 30 -1.791 8.195 -7.815 1.00 0.00 H new ATOM 0 HA LYS A 30 0.181 9.396 -5.933 1.00 0.00 H new ATOM 0 HB2 LYS A 30 0.849 8.734 -8.605 1.00 0.00 H new ATOM 0 HB3 LYS A 30 0.459 10.441 -8.660 1.00 0.00 H new ATOM 0 HG2 LYS A 30 1.941 10.527 -6.421 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.616 9.041 -7.059 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.774 10.438 -9.336 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.688 11.823 -8.265 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.906 11.562 -7.812 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.538 10.037 -7.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.130 9.739 -8.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 4.684 8.927 -9.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 5.041 10.404 -9.950 1.00 0.00 H new ATOM 427 N ALA A 31 -1.919 10.874 -5.838 1.00 0.00 N ATOM 428 CA ALA A 31 -2.910 11.987 -5.810 1.00 0.00 C ATOM 429 C ALA A 31 -2.177 13.321 -5.961 1.00 0.00 C ATOM 430 O ALA A 31 -1.017 13.366 -6.320 1.00 0.00 O ATOM 431 CB ALA A 31 -3.664 11.962 -4.479 1.00 0.00 C ATOM 0 H ALA A 31 -1.778 10.395 -4.949 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.619 11.868 -6.629 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.389 12.775 -4.456 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.183 11.010 -4.373 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.957 12.083 -3.658 1.00 0.00 H new ATOM 437 N GLY A 32 -2.842 14.411 -5.690 1.00 0.00 N ATOM 438 CA GLY A 32 -2.179 15.740 -5.822 1.00 0.00 C ATOM 439 C GLY A 32 -1.649 16.185 -4.459 1.00 0.00 C ATOM 440 O GLY A 32 -1.683 17.352 -4.121 1.00 0.00 O ATOM 0 H GLY A 32 -3.814 14.439 -5.383 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.361 15.680 -6.540 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -2.887 16.475 -6.206 1.00 0.00 H new ATOM 444 N LEU A 33 -1.159 15.269 -3.670 1.00 0.00 N ATOM 445 CA LEU A 33 -0.628 15.648 -2.330 1.00 0.00 C ATOM 446 C LEU A 33 0.463 14.660 -1.913 1.00 0.00 C ATOM 447 O LEU A 33 1.594 15.034 -1.676 1.00 0.00 O ATOM 448 CB LEU A 33 -1.763 15.616 -1.305 1.00 0.00 C ATOM 449 CG LEU A 33 -1.609 16.788 -0.335 1.00 0.00 C ATOM 450 CD1 LEU A 33 -1.943 18.094 -1.057 1.00 0.00 C ATOM 451 CD2 LEU A 33 -2.562 16.602 0.848 1.00 0.00 C ATOM 0 H LEU A 33 -1.103 14.276 -3.895 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.208 16.653 -2.378 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.726 15.674 -1.812 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.747 14.673 -0.758 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.582 16.825 0.029 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.833 18.930 -0.366 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.264 18.228 -1.899 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.970 18.056 -1.421 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.452 17.438 1.539 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.589 16.564 0.485 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.325 15.671 1.363 1.00 0.00 H new ATOM 463 N GLN A 34 0.133 13.401 -1.818 1.00 0.00 N ATOM 464 CA GLN A 34 1.152 12.392 -1.411 1.00 0.00 C ATOM 465 C GLN A 34 1.052 11.164 -2.319 1.00 0.00 C ATOM 466 O GLN A 34 0.208 11.091 -3.192 1.00 0.00 O ATOM 467 CB GLN A 34 0.898 11.975 0.040 1.00 0.00 C ATOM 468 CG GLN A 34 1.284 13.122 0.977 1.00 0.00 C ATOM 469 CD GLN A 34 0.019 13.831 1.465 1.00 0.00 C ATOM 470 OE1 GLN A 34 -0.398 14.818 0.893 1.00 0.00 O ATOM 471 NE2 GLN A 34 -0.615 13.366 2.507 1.00 0.00 N ATOM 0 H GLN A 34 -0.798 13.027 -2.004 1.00 0.00 H new ATOM 0 HA GLN A 34 2.148 12.825 -1.500 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -0.152 11.718 0.177 1.00 0.00 H new ATOM 0 HB3 GLN A 34 1.478 11.084 0.280 1.00 0.00 H new ATOM 0 HG2 GLN A 34 1.849 12.737 1.826 1.00 0.00 H new ATOM 0 HG3 GLN A 34 1.932 13.828 0.457 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -0.266 12.537 2.988 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -1.459 13.831 2.840 1.00 0.00 H new ATOM 480 N VAL A 35 1.907 10.196 -2.120 1.00 0.00 N ATOM 481 CA VAL A 35 1.864 8.971 -2.969 1.00 0.00 C ATOM 482 C VAL A 35 1.378 7.786 -2.130 1.00 0.00 C ATOM 483 O VAL A 35 1.655 7.694 -0.951 1.00 0.00 O ATOM 484 CB VAL A 35 3.268 8.675 -3.506 1.00 0.00 C ATOM 485 CG1 VAL A 35 3.236 7.403 -4.356 1.00 0.00 C ATOM 486 CG2 VAL A 35 3.744 9.848 -4.366 1.00 0.00 C ATOM 0 H VAL A 35 2.634 10.201 -1.405 1.00 0.00 H new ATOM 0 HA VAL A 35 1.181 9.129 -3.803 1.00 0.00 H new ATOM 0 HB VAL A 35 3.952 8.535 -2.669 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.236 7.195 -4.737 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.899 6.566 -3.745 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.551 7.541 -5.192 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.743 9.637 -4.748 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.058 9.988 -5.201 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.770 10.755 -3.762 1.00 0.00 H new ATOM 496 N TYR A 36 0.656 6.878 -2.729 1.00 0.00 N ATOM 497 CA TYR A 36 0.153 5.699 -1.967 1.00 0.00 C ATOM 498 C TYR A 36 0.796 4.423 -2.521 1.00 0.00 C ATOM 499 O TYR A 36 0.516 4.007 -3.628 1.00 0.00 O ATOM 500 CB TYR A 36 -1.367 5.611 -2.112 1.00 0.00 C ATOM 501 CG TYR A 36 -2.020 6.665 -1.248 1.00 0.00 C ATOM 502 CD1 TYR A 36 -1.866 8.022 -1.560 1.00 0.00 C ATOM 503 CD2 TYR A 36 -2.780 6.286 -0.134 1.00 0.00 C ATOM 504 CE1 TYR A 36 -2.472 8.998 -0.759 1.00 0.00 C ATOM 505 CE2 TYR A 36 -3.385 7.262 0.667 1.00 0.00 C ATOM 506 CZ TYR A 36 -3.231 8.618 0.355 1.00 0.00 C ATOM 507 OH TYR A 36 -3.828 9.581 1.143 1.00 0.00 O ATOM 0 H TYR A 36 0.392 6.902 -3.714 1.00 0.00 H new ATOM 0 HA TYR A 36 0.411 5.807 -0.914 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.652 5.753 -3.154 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.714 4.620 -1.819 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -1.280 8.316 -2.418 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -2.899 5.240 0.107 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -2.354 10.044 -1.000 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -3.971 6.969 1.526 1.00 0.00 H new ATOM 0 HH TYR A 36 -4.582 9.979 0.659 1.00 0.00 H new ATOM 517 N ASN A 37 1.656 3.799 -1.762 1.00 0.00 N ATOM 518 CA ASN A 37 2.315 2.553 -2.249 1.00 0.00 C ATOM 519 C ASN A 37 1.778 1.350 -1.469 1.00 0.00 C ATOM 520 O ASN A 37 2.261 1.028 -0.401 1.00 0.00 O ATOM 521 CB ASN A 37 3.827 2.659 -2.040 1.00 0.00 C ATOM 522 CG ASN A 37 4.293 4.074 -2.388 1.00 0.00 C ATOM 523 OD1 ASN A 37 3.841 5.036 -1.801 1.00 0.00 O ATOM 524 ND2 ASN A 37 5.186 4.240 -3.326 1.00 0.00 N ATOM 0 H ASN A 37 1.931 4.098 -0.826 1.00 0.00 H new ATOM 0 HA ASN A 37 2.102 2.423 -3.310 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.079 2.426 -1.005 1.00 0.00 H new ATOM 0 HB3 ASN A 37 4.343 1.931 -2.666 1.00 0.00 H new ATOM 0 HD21 ASN A 37 5.505 5.179 -3.566 1.00 0.00 H new ATOM 0 HD22 ASN A 37 5.565 3.431 -3.818 1.00 0.00 H new ATOM 531 N LYS A 38 0.785 0.684 -1.993 1.00 0.00 N ATOM 532 CA LYS A 38 0.219 -0.495 -1.278 1.00 0.00 C ATOM 533 C LYS A 38 -0.161 -1.583 -2.284 1.00 0.00 C ATOM 534 O LYS A 38 -0.311 -1.337 -3.465 1.00 0.00 O ATOM 535 CB LYS A 38 -1.036 -0.071 -0.508 1.00 0.00 C ATOM 536 CG LYS A 38 -0.673 0.988 0.534 1.00 0.00 C ATOM 537 CD LYS A 38 -1.428 2.284 0.228 1.00 0.00 C ATOM 538 CE LYS A 38 -2.159 2.757 1.485 1.00 0.00 C ATOM 539 NZ LYS A 38 -1.407 3.885 2.102 1.00 0.00 N ATOM 0 H LYS A 38 0.342 0.905 -2.885 1.00 0.00 H new ATOM 0 HA LYS A 38 0.968 -0.883 -0.587 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.780 0.326 -1.198 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.483 -0.937 -0.019 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.928 0.633 1.533 1.00 0.00 H new ATOM 0 HG3 LYS A 38 0.402 1.170 0.525 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -0.732 3.051 -0.111 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -2.141 2.120 -0.580 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.170 3.075 1.232 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.251 1.936 2.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -1.662 3.964 3.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -0.386 3.709 2.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -1.647 4.771 1.613 1.00 0.00 H new ATOM 553 N CYS A 39 -0.333 -2.785 -1.811 1.00 0.00 N ATOM 554 CA CYS A 39 -0.727 -3.897 -2.720 1.00 0.00 C ATOM 555 C CYS A 39 -2.227 -3.787 -2.979 1.00 0.00 C ATOM 556 O CYS A 39 -3.002 -3.561 -2.071 1.00 0.00 O ATOM 557 CB CYS A 39 -0.429 -5.247 -2.062 1.00 0.00 C ATOM 558 SG CYS A 39 1.145 -5.168 -1.170 1.00 0.00 S ATOM 0 H CYS A 39 -0.218 -3.046 -0.832 1.00 0.00 H new ATOM 0 HA CYS A 39 -0.166 -3.830 -3.652 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -1.233 -5.511 -1.375 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -0.388 -6.029 -2.820 1.00 0.00 H new ATOM 563 N TRP A 40 -2.652 -3.929 -4.201 1.00 0.00 N ATOM 564 CA TRP A 40 -4.103 -3.813 -4.481 1.00 0.00 C ATOM 565 C TRP A 40 -4.557 -4.985 -5.352 1.00 0.00 C ATOM 566 O TRP A 40 -3.791 -5.541 -6.114 1.00 0.00 O ATOM 567 CB TRP A 40 -4.361 -2.491 -5.198 1.00 0.00 C ATOM 568 CG TRP A 40 -5.733 -2.013 -4.876 1.00 0.00 C ATOM 569 CD1 TRP A 40 -6.869 -2.532 -5.381 1.00 0.00 C ATOM 570 CD2 TRP A 40 -6.131 -0.933 -3.985 1.00 0.00 C ATOM 571 NE1 TRP A 40 -7.948 -1.841 -4.855 1.00 0.00 N ATOM 572 CE2 TRP A 40 -7.542 -0.843 -3.988 1.00 0.00 C ATOM 573 CE3 TRP A 40 -5.410 -0.032 -3.183 1.00 0.00 C ATOM 574 CZ2 TRP A 40 -8.215 0.108 -3.220 1.00 0.00 C ATOM 575 CZ3 TRP A 40 -6.083 0.928 -2.411 1.00 0.00 C ATOM 576 CH2 TRP A 40 -7.483 0.997 -2.430 1.00 0.00 C ATOM 0 H TRP A 40 -2.061 -4.119 -5.011 1.00 0.00 H new ATOM 0 HA TRP A 40 -4.666 -3.837 -3.548 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -3.624 -1.749 -4.891 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -4.253 -2.622 -6.275 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -6.929 -3.352 -6.081 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -8.922 -2.043 -5.079 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -4.331 -0.078 -3.160 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -9.294 0.156 -3.236 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -5.519 1.617 -1.799 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -7.995 1.738 -1.834 1.00 0.00 H new ATOM 587 N LYS A 41 -5.798 -5.370 -5.236 1.00 0.00 N ATOM 588 CA LYS A 41 -6.304 -6.513 -6.047 1.00 0.00 C ATOM 589 C LYS A 41 -6.623 -6.036 -7.464 1.00 0.00 C ATOM 590 O LYS A 41 -6.889 -4.872 -7.695 1.00 0.00 O ATOM 591 CB LYS A 41 -7.573 -7.072 -5.401 1.00 0.00 C ATOM 592 CG LYS A 41 -7.778 -8.524 -5.841 1.00 0.00 C ATOM 593 CD LYS A 41 -6.901 -9.443 -4.988 1.00 0.00 C ATOM 594 CE LYS A 41 -7.387 -9.408 -3.537 1.00 0.00 C ATOM 595 NZ LYS A 41 -8.853 -9.677 -3.497 1.00 0.00 N ATOM 0 H LYS A 41 -6.484 -4.942 -4.614 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.542 -7.291 -6.090 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -7.494 -7.018 -4.315 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -8.435 -6.470 -5.688 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.826 -8.803 -5.735 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.523 -8.635 -6.895 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.942 -10.462 -5.372 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -5.860 -9.124 -5.042 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.854 -10.152 -2.946 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.173 -8.435 -3.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -9.117 -10.019 -2.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -9.373 -8.801 -3.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.093 -10.399 -4.206 1.00 0.00 H new ATOM 609 N PHE A 42 -6.606 -6.929 -8.413 1.00 0.00 N ATOM 610 CA PHE A 42 -6.917 -6.533 -9.812 1.00 0.00 C ATOM 611 C PHE A 42 -8.430 -6.392 -9.958 1.00 0.00 C ATOM 612 O PHE A 42 -8.921 -5.711 -10.836 1.00 0.00 O ATOM 613 CB PHE A 42 -6.405 -7.607 -10.773 1.00 0.00 C ATOM 614 CG PHE A 42 -6.382 -7.053 -12.177 1.00 0.00 C ATOM 615 CD1 PHE A 42 -5.616 -5.917 -12.467 1.00 0.00 C ATOM 616 CD2 PHE A 42 -7.124 -7.675 -13.187 1.00 0.00 C ATOM 617 CE1 PHE A 42 -5.595 -5.401 -13.770 1.00 0.00 C ATOM 618 CE2 PHE A 42 -7.103 -7.159 -14.490 1.00 0.00 C ATOM 619 CZ PHE A 42 -6.338 -6.024 -14.780 1.00 0.00 C ATOM 0 H PHE A 42 -6.390 -7.917 -8.279 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.433 -5.585 -10.047 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -5.405 -7.926 -10.480 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -7.047 -8.487 -10.728 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -5.042 -5.439 -11.687 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -7.713 -8.552 -12.963 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -5.006 -4.524 -13.995 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -7.677 -7.637 -15.270 1.00 0.00 H new ATOM 0 HZ PHE A 42 -6.321 -5.628 -15.785 1.00 0.00 H new ATOM 629 N GLU A 43 -9.172 -7.031 -9.096 1.00 0.00 N ATOM 630 CA GLU A 43 -10.654 -6.932 -9.172 1.00 0.00 C ATOM 631 C GLU A 43 -11.081 -5.541 -8.712 1.00 0.00 C ATOM 632 O GLU A 43 -12.057 -4.990 -9.182 1.00 0.00 O ATOM 633 CB GLU A 43 -11.283 -7.993 -8.266 1.00 0.00 C ATOM 634 CG GLU A 43 -12.801 -7.800 -8.219 1.00 0.00 C ATOM 635 CD GLU A 43 -13.446 -8.531 -9.399 1.00 0.00 C ATOM 636 OE1 GLU A 43 -12.870 -8.502 -10.474 1.00 0.00 O ATOM 637 OE2 GLU A 43 -14.504 -9.106 -9.207 1.00 0.00 O ATOM 0 H GLU A 43 -8.814 -7.618 -8.342 1.00 0.00 H new ATOM 0 HA GLU A 43 -10.986 -7.097 -10.197 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -11.045 -8.990 -8.638 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.867 -7.920 -7.261 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -13.198 -8.184 -7.279 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -13.045 -6.738 -8.258 1.00 0.00 H new ATOM 644 N HIS A 44 -10.349 -4.966 -7.802 1.00 0.00 N ATOM 645 CA HIS A 44 -10.697 -3.605 -7.314 1.00 0.00 C ATOM 646 C HIS A 44 -9.795 -2.591 -8.017 1.00 0.00 C ATOM 647 O HIS A 44 -9.620 -1.478 -7.564 1.00 0.00 O ATOM 648 CB HIS A 44 -10.475 -3.534 -5.802 1.00 0.00 C ATOM 649 CG HIS A 44 -11.432 -4.465 -5.111 1.00 0.00 C ATOM 650 ND1 HIS A 44 -11.787 -4.307 -3.781 1.00 0.00 N ATOM 651 CD2 HIS A 44 -12.120 -5.567 -5.554 1.00 0.00 C ATOM 652 CE1 HIS A 44 -12.653 -5.290 -3.473 1.00 0.00 C ATOM 653 NE2 HIS A 44 -12.890 -6.086 -4.519 1.00 0.00 N ATOM 0 H HIS A 44 -9.522 -5.381 -7.374 1.00 0.00 H new ATOM 0 HA HIS A 44 -11.742 -3.384 -7.530 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -9.448 -3.807 -5.561 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -10.625 -2.514 -5.449 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -12.071 -5.970 -6.555 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -13.102 -5.419 -2.499 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -13.504 -6.900 -4.552 1.00 0.00 H new ATOM 661 N CYS A 45 -9.218 -2.976 -9.124 1.00 0.00 N ATOM 662 CA CYS A 45 -8.319 -2.044 -9.861 1.00 0.00 C ATOM 663 C CYS A 45 -9.141 -1.178 -10.816 1.00 0.00 C ATOM 664 O CYS A 45 -9.086 -1.338 -12.019 1.00 0.00 O ATOM 665 CB CYS A 45 -7.295 -2.852 -10.660 1.00 0.00 C ATOM 666 SG CYS A 45 -5.749 -2.958 -9.726 1.00 0.00 S ATOM 0 H CYS A 45 -9.331 -3.896 -9.549 1.00 0.00 H new ATOM 0 HA CYS A 45 -7.803 -1.402 -9.147 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -7.681 -3.852 -10.860 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -7.117 -2.380 -11.626 1.00 0.00 H new ATOM 671 N ASN A 46 -9.900 -0.258 -10.288 1.00 0.00 N ATOM 672 CA ASN A 46 -10.722 0.625 -11.162 1.00 0.00 C ATOM 673 C ASN A 46 -10.730 2.038 -10.578 1.00 0.00 C ATOM 674 O ASN A 46 -10.228 2.273 -9.496 1.00 0.00 O ATOM 675 CB ASN A 46 -12.155 0.091 -11.228 1.00 0.00 C ATOM 676 CG ASN A 46 -12.134 -1.437 -11.168 1.00 0.00 C ATOM 677 OD1 ASN A 46 -11.840 -2.090 -12.149 1.00 0.00 O ATOM 678 ND2 ASN A 46 -12.435 -2.039 -10.050 1.00 0.00 N ATOM 0 H ASN A 46 -9.987 -0.079 -9.287 1.00 0.00 H new ATOM 0 HA ASN A 46 -10.299 0.644 -12.166 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -12.741 0.490 -10.400 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -12.636 0.423 -12.148 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -12.423 -3.058 -10.000 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -12.682 -1.491 -9.226 1.00 0.00 H new ATOM 685 N PHE A 47 -11.300 2.985 -11.274 1.00 0.00 N ATOM 686 CA PHE A 47 -11.336 4.375 -10.739 1.00 0.00 C ATOM 687 C PHE A 47 -12.560 4.534 -9.836 1.00 0.00 C ATOM 688 O PHE A 47 -13.281 5.510 -9.909 1.00 0.00 O ATOM 689 CB PHE A 47 -11.418 5.373 -11.894 1.00 0.00 C ATOM 690 CG PHE A 47 -10.657 6.626 -11.529 1.00 0.00 C ATOM 691 CD1 PHE A 47 -11.134 7.464 -10.513 1.00 0.00 C ATOM 692 CD2 PHE A 47 -9.475 6.950 -12.205 1.00 0.00 C ATOM 693 CE1 PHE A 47 -10.429 8.625 -10.175 1.00 0.00 C ATOM 694 CE2 PHE A 47 -8.771 8.112 -11.867 1.00 0.00 C ATOM 695 CZ PHE A 47 -9.247 8.950 -10.851 1.00 0.00 C ATOM 0 H PHE A 47 -11.740 2.856 -12.185 1.00 0.00 H new ATOM 0 HA PHE A 47 -10.429 4.568 -10.166 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -11.002 4.932 -12.800 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -12.459 5.615 -12.107 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -12.046 7.214 -9.991 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -9.106 6.304 -12.987 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -10.797 9.271 -9.392 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -7.860 8.362 -12.390 1.00 0.00 H new ATOM 0 HZ PHE A 47 -8.703 9.846 -10.589 1.00 0.00 H new ATOM 705 N ASN A 48 -12.797 3.577 -8.984 1.00 0.00 N ATOM 706 CA ASN A 48 -13.966 3.656 -8.069 1.00 0.00 C ATOM 707 C ASN A 48 -13.704 2.753 -6.864 1.00 0.00 C ATOM 708 O ASN A 48 -13.955 3.118 -5.735 1.00 0.00 O ATOM 709 CB ASN A 48 -15.225 3.186 -8.802 1.00 0.00 C ATOM 710 CG ASN A 48 -16.374 3.042 -7.805 1.00 0.00 C ATOM 711 OD1 ASN A 48 -17.271 3.862 -7.770 1.00 0.00 O ATOM 712 ND2 ASN A 48 -16.388 2.026 -6.986 1.00 0.00 N ATOM 0 H ASN A 48 -12.226 2.738 -8.882 1.00 0.00 H new ATOM 0 HA ASN A 48 -14.112 4.684 -7.738 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -15.493 3.900 -9.581 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -15.036 2.233 -9.295 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -17.151 1.920 -6.317 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -15.636 1.338 -7.015 1.00 0.00 H new ATOM 719 N ASP A 49 -13.187 1.578 -7.101 1.00 0.00 N ATOM 720 CA ASP A 49 -12.893 0.651 -5.975 1.00 0.00 C ATOM 721 C ASP A 49 -11.654 1.149 -5.228 1.00 0.00 C ATOM 722 O ASP A 49 -11.434 0.822 -4.079 1.00 0.00 O ATOM 723 CB ASP A 49 -12.629 -0.752 -6.524 1.00 0.00 C ATOM 724 CG ASP A 49 -13.959 -1.480 -6.720 1.00 0.00 C ATOM 725 OD1 ASP A 49 -14.532 -1.904 -5.729 1.00 0.00 O ATOM 726 OD2 ASP A 49 -14.383 -1.600 -7.857 1.00 0.00 O ATOM 0 H ASP A 49 -12.956 1.221 -8.028 1.00 0.00 H new ATOM 0 HA ASP A 49 -13.744 0.617 -5.295 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -12.094 -0.689 -7.471 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -11.994 -1.310 -5.836 1.00 0.00 H new ATOM 731 N VAL A 50 -10.843 1.942 -5.875 1.00 0.00 N ATOM 732 CA VAL A 50 -9.621 2.465 -5.205 1.00 0.00 C ATOM 733 C VAL A 50 -9.962 3.763 -4.470 1.00 0.00 C ATOM 734 O VAL A 50 -9.528 3.988 -3.358 1.00 0.00 O ATOM 735 CB VAL A 50 -8.538 2.736 -6.250 1.00 0.00 C ATOM 736 CG1 VAL A 50 -7.404 3.544 -5.617 1.00 0.00 C ATOM 737 CG2 VAL A 50 -7.987 1.404 -6.764 1.00 0.00 C ATOM 0 H VAL A 50 -10.975 2.249 -6.839 1.00 0.00 H new ATOM 0 HA VAL A 50 -9.254 1.728 -4.491 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.966 3.301 -7.078 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.633 3.736 -6.364 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -7.795 4.492 -5.247 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.974 2.981 -4.789 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.215 1.593 -7.509 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.560 0.842 -5.933 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.794 0.827 -7.216 1.00 0.00 H new ATOM 747 N THR A 51 -10.741 4.613 -5.079 1.00 0.00 N ATOM 748 CA THR A 51 -11.112 5.890 -4.407 1.00 0.00 C ATOM 749 C THR A 51 -12.077 5.595 -3.255 1.00 0.00 C ATOM 750 O THR A 51 -12.442 6.472 -2.498 1.00 0.00 O ATOM 751 CB THR A 51 -11.786 6.823 -5.417 1.00 0.00 C ATOM 752 OG1 THR A 51 -12.560 6.054 -6.327 1.00 0.00 O ATOM 753 CG2 THR A 51 -10.717 7.603 -6.185 1.00 0.00 C ATOM 0 H THR A 51 -11.136 4.480 -6.010 1.00 0.00 H new ATOM 0 HA THR A 51 -10.215 6.371 -4.016 1.00 0.00 H new ATOM 0 HB THR A 51 -12.435 7.523 -4.890 1.00 0.00 H new ATOM 0 HG1 THR A 51 -12.993 6.650 -6.973 1.00 0.00 H new ATOM 0 HG21 THR A 51 -11.197 8.267 -6.904 1.00 0.00 H new ATOM 0 HG22 THR A 51 -10.124 8.193 -5.486 1.00 0.00 H new ATOM 0 HG23 THR A 51 -10.067 6.906 -6.713 1.00 0.00 H new ATOM 761 N THR A 52 -12.490 4.363 -3.116 1.00 0.00 N ATOM 762 CA THR A 52 -13.425 4.007 -2.015 1.00 0.00 C ATOM 763 C THR A 52 -12.624 3.536 -0.801 1.00 0.00 C ATOM 764 O THR A 52 -12.829 3.995 0.305 1.00 0.00 O ATOM 765 CB THR A 52 -14.342 2.877 -2.482 1.00 0.00 C ATOM 766 OG1 THR A 52 -15.018 3.267 -3.671 1.00 0.00 O ATOM 767 CG2 THR A 52 -15.363 2.565 -1.391 1.00 0.00 C ATOM 0 H THR A 52 -12.218 3.588 -3.720 1.00 0.00 H new ATOM 0 HA THR A 52 -14.021 4.879 -1.744 1.00 0.00 H new ATOM 0 HB THR A 52 -13.744 1.988 -2.684 1.00 0.00 H new ATOM 0 HG1 THR A 52 -14.550 2.898 -4.449 1.00 0.00 H new ATOM 0 HG21 THR A 52 -16.017 1.759 -1.724 1.00 0.00 H new ATOM 0 HG22 THR A 52 -14.843 2.259 -0.483 1.00 0.00 H new ATOM 0 HG23 THR A 52 -15.959 3.454 -1.185 1.00 0.00 H new ATOM 775 N ARG A 53 -11.707 2.627 -0.999 1.00 0.00 N ATOM 776 CA ARG A 53 -10.894 2.134 0.136 1.00 0.00 C ATOM 777 C ARG A 53 -9.999 3.280 0.615 1.00 0.00 C ATOM 778 O ARG A 53 -9.822 3.494 1.799 1.00 0.00 O ATOM 779 CB ARG A 53 -10.070 0.928 -0.348 1.00 0.00 C ATOM 780 CG ARG A 53 -8.665 0.938 0.253 1.00 0.00 C ATOM 781 CD ARG A 53 -8.747 0.663 1.756 1.00 0.00 C ATOM 782 NE ARG A 53 -7.372 0.530 2.314 1.00 0.00 N ATOM 783 CZ ARG A 53 -7.167 0.711 3.591 1.00 0.00 C ATOM 784 NH1 ARG A 53 -7.982 0.182 4.463 1.00 0.00 N ATOM 785 NH2 ARG A 53 -6.148 1.420 3.994 1.00 0.00 N ATOM 0 H ARG A 53 -11.490 2.207 -1.903 1.00 0.00 H new ATOM 0 HA ARG A 53 -11.515 1.810 0.971 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -10.579 0.004 -0.074 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -10.003 0.944 -1.436 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.046 0.183 -0.232 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -8.189 1.902 0.075 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -9.277 1.474 2.256 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -9.315 -0.249 1.939 1.00 0.00 H new ATOM 0 HE ARG A 53 -6.592 0.298 1.699 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -8.778 -0.372 4.147 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -7.823 0.323 5.461 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -5.512 1.833 3.312 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.988 1.562 4.991 1.00 0.00 H new ATOM 799 N LEU A 54 -9.444 4.026 -0.300 1.00 0.00 N ATOM 800 CA LEU A 54 -8.575 5.166 0.094 1.00 0.00 C ATOM 801 C LEU A 54 -9.453 6.316 0.586 1.00 0.00 C ATOM 802 O LEU A 54 -8.971 7.287 1.136 1.00 0.00 O ATOM 803 CB LEU A 54 -7.763 5.626 -1.116 1.00 0.00 C ATOM 804 CG LEU A 54 -6.964 4.448 -1.672 1.00 0.00 C ATOM 805 CD1 LEU A 54 -6.505 4.771 -3.094 1.00 0.00 C ATOM 806 CD2 LEU A 54 -5.742 4.203 -0.787 1.00 0.00 C ATOM 0 H LEU A 54 -9.556 3.893 -1.305 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.896 4.856 0.889 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -8.427 6.023 -1.883 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.089 6.433 -0.829 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.590 3.556 -1.686 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.935 3.931 -3.492 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.375 4.950 -3.725 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.877 5.662 -3.080 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.170 3.363 -1.181 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -5.116 5.095 -0.776 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -6.068 3.976 0.228 1.00 0.00 H new ATOM 818 N ARG A 55 -10.742 6.217 0.391 1.00 0.00 N ATOM 819 CA ARG A 55 -11.648 7.306 0.848 1.00 0.00 C ATOM 820 C ARG A 55 -11.278 8.611 0.142 1.00 0.00 C ATOM 821 O ARG A 55 -11.265 9.669 0.740 1.00 0.00 O ATOM 822 CB ARG A 55 -11.505 7.488 2.360 1.00 0.00 C ATOM 823 CG ARG A 55 -12.524 6.604 3.081 1.00 0.00 C ATOM 824 CD ARG A 55 -12.440 6.852 4.587 1.00 0.00 C ATOM 825 NE ARG A 55 -13.231 8.066 4.936 1.00 0.00 N ATOM 826 CZ ARG A 55 -14.410 7.944 5.480 1.00 0.00 C ATOM 827 NH1 ARG A 55 -14.527 7.858 6.777 1.00 0.00 N ATOM 828 NH2 ARG A 55 -15.476 7.905 4.727 1.00 0.00 N ATOM 0 H ARG A 55 -11.204 5.430 -0.064 1.00 0.00 H new ATOM 0 HA ARG A 55 -12.678 7.043 0.608 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -10.495 7.226 2.674 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -11.661 8.533 2.627 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -13.530 6.822 2.721 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -12.329 5.554 2.863 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -12.822 5.988 5.130 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -11.400 6.984 4.887 1.00 0.00 H new ATOM 0 HE ARG A 55 -12.850 8.993 4.749 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -13.695 7.886 7.367 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -15.450 7.763 7.201 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -15.387 7.970 3.713 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -16.398 7.810 5.153 1.00 0.00 H new ATOM 842 N GLU A 56 -10.976 8.548 -1.124 1.00 0.00 N ATOM 843 CA GLU A 56 -10.606 9.788 -1.862 1.00 0.00 C ATOM 844 C GLU A 56 -11.415 9.876 -3.157 1.00 0.00 C ATOM 845 O GLU A 56 -12.343 9.122 -3.375 1.00 0.00 O ATOM 846 CB GLU A 56 -9.115 9.754 -2.199 1.00 0.00 C ATOM 847 CG GLU A 56 -8.300 9.696 -0.906 1.00 0.00 C ATOM 848 CD GLU A 56 -7.135 10.682 -0.992 1.00 0.00 C ATOM 849 OE1 GLU A 56 -7.382 11.871 -0.888 1.00 0.00 O ATOM 850 OE2 GLU A 56 -6.013 10.231 -1.161 1.00 0.00 O ATOM 0 H GLU A 56 -10.969 7.693 -1.680 1.00 0.00 H new ATOM 0 HA GLU A 56 -10.821 10.656 -1.239 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.892 8.887 -2.821 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -8.841 10.638 -2.774 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.934 9.939 -0.053 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.924 8.686 -0.746 1.00 0.00 H new ATOM 857 N ASN A 57 -11.066 10.791 -4.016 1.00 0.00 N ATOM 858 CA ASN A 57 -11.805 10.935 -5.300 1.00 0.00 C ATOM 859 C ASN A 57 -11.055 11.916 -6.200 1.00 0.00 C ATOM 860 O ASN A 57 -11.625 12.840 -6.746 1.00 0.00 O ATOM 861 CB ASN A 57 -13.213 11.464 -5.026 1.00 0.00 C ATOM 862 CG ASN A 57 -14.218 10.710 -5.899 1.00 0.00 C ATOM 863 OD1 ASN A 57 -14.872 11.297 -6.738 1.00 0.00 O ATOM 864 ND2 ASN A 57 -14.367 9.425 -5.738 1.00 0.00 N ATOM 0 H ASN A 57 -10.297 11.448 -3.884 1.00 0.00 H new ATOM 0 HA ASN A 57 -11.877 9.965 -5.793 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -13.462 11.337 -3.973 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -13.260 12.532 -5.238 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -15.033 8.912 -6.316 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -13.818 8.932 -5.034 1.00 0.00 H new ATOM 871 N GLU A 58 -9.775 11.723 -6.355 1.00 0.00 N ATOM 872 CA GLU A 58 -8.976 12.640 -7.212 1.00 0.00 C ATOM 873 C GLU A 58 -7.526 12.157 -7.241 1.00 0.00 C ATOM 874 O GLU A 58 -6.631 12.824 -6.764 1.00 0.00 O ATOM 875 CB GLU A 58 -9.029 14.055 -6.633 1.00 0.00 C ATOM 876 CG GLU A 58 -9.418 15.045 -7.732 1.00 0.00 C ATOM 877 CD GLU A 58 -10.636 15.854 -7.283 1.00 0.00 C ATOM 878 OE1 GLU A 58 -10.534 16.525 -6.269 1.00 0.00 O ATOM 879 OE2 GLU A 58 -11.649 15.788 -7.960 1.00 0.00 O ATOM 0 H GLU A 58 -9.246 10.966 -5.922 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.383 12.648 -8.223 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.752 14.098 -5.818 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.059 14.324 -6.214 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.584 15.713 -7.946 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -9.643 14.510 -8.655 1.00 0.00 H new ATOM 886 N LEU A 59 -7.288 10.996 -7.790 1.00 0.00 N ATOM 887 CA LEU A 59 -5.896 10.473 -7.835 1.00 0.00 C ATOM 888 C LEU A 59 -5.785 9.379 -8.900 1.00 0.00 C ATOM 889 O LEU A 59 -6.703 8.610 -9.111 1.00 0.00 O ATOM 890 CB LEU A 59 -5.535 9.889 -6.470 1.00 0.00 C ATOM 891 CG LEU A 59 -6.715 9.071 -5.941 1.00 0.00 C ATOM 892 CD1 LEU A 59 -6.784 7.734 -6.683 1.00 0.00 C ATOM 893 CD2 LEU A 59 -6.524 8.812 -4.444 1.00 0.00 C ATOM 0 H LEU A 59 -7.995 10.391 -8.207 1.00 0.00 H new ATOM 0 HA LEU A 59 -5.213 11.285 -8.083 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.650 9.259 -6.554 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.291 10.690 -5.772 1.00 0.00 H new ATOM 0 HG LEU A 59 -7.641 9.624 -6.101 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -7.625 7.152 -6.306 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.918 7.916 -7.749 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.859 7.181 -6.523 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.364 8.229 -4.065 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.598 8.259 -4.286 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.474 9.763 -3.914 1.00 0.00 H new ATOM 905 N THR A 60 -4.665 9.297 -9.565 1.00 0.00 N ATOM 906 CA THR A 60 -4.492 8.247 -10.607 1.00 0.00 C ATOM 907 C THR A 60 -3.914 6.988 -9.957 1.00 0.00 C ATOM 908 O THR A 60 -3.084 7.060 -9.073 1.00 0.00 O ATOM 909 CB THR A 60 -3.535 8.751 -11.691 1.00 0.00 C ATOM 910 OG1 THR A 60 -2.413 9.372 -11.080 1.00 0.00 O ATOM 911 CG2 THR A 60 -4.256 9.763 -12.584 1.00 0.00 C ATOM 0 H THR A 60 -3.862 9.912 -9.431 1.00 0.00 H new ATOM 0 HA THR A 60 -5.456 8.017 -11.060 1.00 0.00 H new ATOM 0 HB THR A 60 -3.200 7.909 -12.297 1.00 0.00 H new ATOM 0 HG1 THR A 60 -1.972 9.960 -11.728 1.00 0.00 H new ATOM 0 HG21 THR A 60 -3.573 10.120 -13.355 1.00 0.00 H new ATOM 0 HG22 THR A 60 -5.116 9.286 -13.054 1.00 0.00 H new ATOM 0 HG23 THR A 60 -4.594 10.605 -11.980 1.00 0.00 H new ATOM 919 N TYR A 61 -4.351 5.835 -10.383 1.00 0.00 N ATOM 920 CA TYR A 61 -3.832 4.573 -9.782 1.00 0.00 C ATOM 921 C TYR A 61 -3.383 3.622 -10.892 1.00 0.00 C ATOM 922 O TYR A 61 -4.135 3.311 -11.793 1.00 0.00 O ATOM 923 CB TYR A 61 -4.944 3.903 -8.977 1.00 0.00 C ATOM 924 CG TYR A 61 -6.043 3.473 -9.919 1.00 0.00 C ATOM 925 CD1 TYR A 61 -6.886 4.433 -10.494 1.00 0.00 C ATOM 926 CD2 TYR A 61 -6.214 2.118 -10.225 1.00 0.00 C ATOM 927 CE1 TYR A 61 -7.899 4.037 -11.374 1.00 0.00 C ATOM 928 CE2 TYR A 61 -7.230 1.723 -11.104 1.00 0.00 C ATOM 929 CZ TYR A 61 -8.072 2.682 -11.679 1.00 0.00 C ATOM 930 OH TYR A 61 -9.071 2.293 -12.547 1.00 0.00 O ATOM 0 H TYR A 61 -5.045 5.712 -11.121 1.00 0.00 H new ATOM 0 HA TYR A 61 -2.988 4.804 -9.132 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -4.551 3.041 -8.438 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -5.337 4.593 -8.231 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -6.754 5.479 -10.258 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -5.563 1.378 -9.784 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -8.548 4.777 -11.818 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -7.364 0.677 -11.339 1.00 0.00 H new ATOM 0 HH TYR A 61 -8.697 1.700 -13.232 1.00 0.00 H new ATOM 940 N TYR A 62 -2.168 3.150 -10.832 1.00 0.00 N ATOM 941 CA TYR A 62 -1.691 2.211 -11.885 1.00 0.00 C ATOM 942 C TYR A 62 -1.457 0.831 -11.266 1.00 0.00 C ATOM 943 O TYR A 62 -0.657 0.673 -10.365 1.00 0.00 O ATOM 944 CB TYR A 62 -0.383 2.729 -12.487 1.00 0.00 C ATOM 945 CG TYR A 62 0.209 1.665 -13.380 1.00 0.00 C ATOM 946 CD1 TYR A 62 -0.184 1.577 -14.721 1.00 0.00 C ATOM 947 CD2 TYR A 62 1.151 0.765 -12.866 1.00 0.00 C ATOM 948 CE1 TYR A 62 0.364 0.590 -15.548 1.00 0.00 C ATOM 949 CE2 TYR A 62 1.699 -0.222 -13.694 1.00 0.00 C ATOM 950 CZ TYR A 62 1.305 -0.311 -15.034 1.00 0.00 C ATOM 951 OH TYR A 62 1.844 -1.285 -15.850 1.00 0.00 O ATOM 0 H TYR A 62 -1.489 3.372 -10.104 1.00 0.00 H new ATOM 0 HA TYR A 62 -2.443 2.137 -12.671 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -0.567 3.639 -13.058 1.00 0.00 H new ATOM 0 HB3 TYR A 62 0.319 2.987 -11.694 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -0.910 2.271 -15.117 1.00 0.00 H new ATOM 0 HD2 TYR A 62 1.454 0.832 -11.832 1.00 0.00 H new ATOM 0 HE1 TYR A 62 0.061 0.523 -16.583 1.00 0.00 H new ATOM 0 HE2 TYR A 62 2.426 -0.915 -13.298 1.00 0.00 H new ATOM 0 HH TYR A 62 2.481 -1.825 -15.338 1.00 0.00 H new ATOM 961 N CYS A 63 -2.151 -0.168 -11.740 1.00 0.00 N ATOM 962 CA CYS A 63 -1.969 -1.536 -11.178 1.00 0.00 C ATOM 963 C CYS A 63 -0.841 -2.245 -11.924 1.00 0.00 C ATOM 964 O CYS A 63 -0.521 -1.913 -13.048 1.00 0.00 O ATOM 965 CB CYS A 63 -3.266 -2.332 -11.339 1.00 0.00 C ATOM 966 SG CYS A 63 -4.610 -1.471 -10.484 1.00 0.00 S ATOM 0 H CYS A 63 -2.836 -0.096 -12.492 1.00 0.00 H new ATOM 0 HA CYS A 63 -1.717 -1.464 -10.120 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -3.507 -2.446 -12.396 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -3.143 -3.335 -10.930 1.00 0.00 H new ATOM 971 N CYS A 64 -0.231 -3.216 -11.305 1.00 0.00 N ATOM 972 CA CYS A 64 0.880 -3.945 -11.979 1.00 0.00 C ATOM 973 C CYS A 64 0.864 -5.416 -11.563 1.00 0.00 C ATOM 974 O CYS A 64 0.110 -5.822 -10.701 1.00 0.00 O ATOM 975 CB CYS A 64 2.216 -3.318 -11.579 1.00 0.00 C ATOM 976 SG CYS A 64 3.374 -3.435 -12.965 1.00 0.00 S ATOM 0 H CYS A 64 -0.453 -3.537 -10.362 1.00 0.00 H new ATOM 0 HA CYS A 64 0.751 -3.876 -13.059 1.00 0.00 H new ATOM 0 HB2 CYS A 64 2.071 -2.275 -11.299 1.00 0.00 H new ATOM 0 HB3 CYS A 64 2.623 -3.829 -10.706 1.00 0.00 H new ATOM 981 N LYS A 65 1.696 -6.218 -12.170 1.00 0.00 N ATOM 982 CA LYS A 65 1.737 -7.664 -11.812 1.00 0.00 C ATOM 983 C LYS A 65 3.185 -8.156 -11.865 1.00 0.00 C ATOM 984 O LYS A 65 3.449 -9.312 -12.130 1.00 0.00 O ATOM 985 CB LYS A 65 0.889 -8.461 -12.807 1.00 0.00 C ATOM 986 CG LYS A 65 -0.573 -8.457 -12.354 1.00 0.00 C ATOM 987 CD LYS A 65 -1.151 -9.869 -12.473 1.00 0.00 C ATOM 988 CE LYS A 65 -2.307 -9.866 -13.474 1.00 0.00 C ATOM 989 NZ LYS A 65 -2.238 -11.095 -14.315 1.00 0.00 N ATOM 0 H LYS A 65 2.350 -5.934 -12.899 1.00 0.00 H new ATOM 0 HA LYS A 65 1.340 -7.803 -10.806 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.973 -8.025 -13.803 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.256 -9.485 -12.875 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -0.644 -8.110 -11.323 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -1.152 -7.764 -12.964 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.377 -10.564 -12.798 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.500 -10.213 -11.500 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -3.260 -9.827 -12.946 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -2.255 -8.978 -14.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -3.024 -11.094 -14.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -1.334 -11.114 -14.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -2.308 -11.936 -13.707 1.00 0.00 H new ATOM 1003 N LYS A 66 4.126 -7.286 -11.617 1.00 0.00 N ATOM 1004 CA LYS A 66 5.556 -7.702 -11.653 1.00 0.00 C ATOM 1005 C LYS A 66 6.177 -7.523 -10.264 1.00 0.00 C ATOM 1006 O LYS A 66 5.834 -6.616 -9.532 1.00 0.00 O ATOM 1007 CB LYS A 66 6.312 -6.841 -12.669 1.00 0.00 C ATOM 1008 CG LYS A 66 5.400 -6.537 -13.861 1.00 0.00 C ATOM 1009 CD LYS A 66 6.241 -6.038 -15.037 1.00 0.00 C ATOM 1010 CE LYS A 66 6.441 -7.174 -16.043 1.00 0.00 C ATOM 1011 NZ LYS A 66 7.598 -6.858 -16.928 1.00 0.00 N ATOM 0 H LYS A 66 3.966 -6.304 -11.391 1.00 0.00 H new ATOM 0 HA LYS A 66 5.623 -8.750 -11.945 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.639 -5.912 -12.202 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.208 -7.361 -13.007 1.00 0.00 H new ATOM 0 HG2 LYS A 66 4.850 -7.433 -14.149 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.661 -5.785 -13.584 1.00 0.00 H new ATOM 0 HD2 LYS A 66 5.746 -5.195 -15.519 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.207 -5.680 -14.681 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.618 -8.112 -15.517 1.00 0.00 H new ATOM 0 HE3 LYS A 66 5.539 -7.308 -16.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 7.733 -7.630 -17.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.412 -5.972 -17.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.457 -6.751 -16.352 1.00 0.00 H new ATOM 1025 N ASP A 67 7.083 -8.386 -9.895 1.00 0.00 N ATOM 1026 CA ASP A 67 7.723 -8.273 -8.553 1.00 0.00 C ATOM 1027 C ASP A 67 8.209 -6.840 -8.322 1.00 0.00 C ATOM 1028 O ASP A 67 8.965 -6.295 -9.101 1.00 0.00 O ATOM 1029 CB ASP A 67 8.914 -9.229 -8.477 1.00 0.00 C ATOM 1030 CG ASP A 67 8.443 -10.658 -8.746 1.00 0.00 C ATOM 1031 OD1 ASP A 67 7.250 -10.844 -8.921 1.00 0.00 O ATOM 1032 OD2 ASP A 67 9.282 -11.544 -8.771 1.00 0.00 O ATOM 0 H ASP A 67 7.409 -9.166 -10.466 1.00 0.00 H new ATOM 0 HA ASP A 67 6.992 -8.531 -7.787 1.00 0.00 H new ATOM 0 HB2 ASP A 67 9.671 -8.942 -9.207 1.00 0.00 H new ATOM 0 HB3 ASP A 67 9.380 -9.168 -7.493 1.00 0.00 H new ATOM 1037 N LEU A 68 7.784 -6.232 -7.247 1.00 0.00 N ATOM 1038 CA LEU A 68 8.218 -4.841 -6.947 1.00 0.00 C ATOM 1039 C LEU A 68 8.040 -3.967 -8.188 1.00 0.00 C ATOM 1040 O LEU A 68 8.927 -3.234 -8.579 1.00 0.00 O ATOM 1041 CB LEU A 68 9.689 -4.847 -6.524 1.00 0.00 C ATOM 1042 CG LEU A 68 9.847 -5.681 -5.251 1.00 0.00 C ATOM 1043 CD1 LEU A 68 11.303 -6.123 -5.104 1.00 0.00 C ATOM 1044 CD2 LEU A 68 9.447 -4.840 -4.037 1.00 0.00 C ATOM 0 H LEU A 68 7.151 -6.643 -6.561 1.00 0.00 H new ATOM 0 HA LEU A 68 7.611 -4.438 -6.137 1.00 0.00 H new ATOM 0 HB2 LEU A 68 10.307 -5.260 -7.322 1.00 0.00 H new ATOM 0 HB3 LEU A 68 10.033 -3.828 -6.349 1.00 0.00 H new ATOM 0 HG LEU A 68 9.206 -6.560 -5.314 1.00 0.00 H new ATOM 0 HD11 LEU A 68 11.413 -6.717 -4.197 1.00 0.00 H new ATOM 0 HD12 LEU A 68 11.590 -6.723 -5.967 1.00 0.00 H new ATOM 0 HD13 LEU A 68 11.945 -5.245 -5.043 1.00 0.00 H new ATOM 0 HD21 LEU A 68 9.559 -5.434 -3.130 1.00 0.00 H new ATOM 0 HD22 LEU A 68 10.088 -3.960 -3.977 1.00 0.00 H new ATOM 0 HD23 LEU A 68 8.408 -4.526 -4.138 1.00 0.00 H new ATOM 1056 N CYS A 69 6.894 -4.037 -8.807 1.00 0.00 N ATOM 1057 CA CYS A 69 6.651 -3.210 -10.023 1.00 0.00 C ATOM 1058 C CYS A 69 6.381 -1.762 -9.609 1.00 0.00 C ATOM 1059 O CYS A 69 6.775 -0.830 -10.282 1.00 0.00 O ATOM 1060 CB CYS A 69 5.437 -3.757 -10.776 1.00 0.00 C ATOM 1061 SG CYS A 69 5.108 -2.717 -12.220 1.00 0.00 S ATOM 0 H CYS A 69 6.115 -4.631 -8.524 1.00 0.00 H new ATOM 0 HA CYS A 69 7.528 -3.247 -10.669 1.00 0.00 H new ATOM 0 HB2 CYS A 69 5.622 -4.785 -11.089 1.00 0.00 H new ATOM 0 HB3 CYS A 69 4.566 -3.775 -10.121 1.00 0.00 H new ATOM 1066 N ASN A 70 5.709 -1.564 -8.508 1.00 0.00 N ATOM 1067 CA ASN A 70 5.414 -0.175 -8.056 1.00 0.00 C ATOM 1068 C ASN A 70 6.716 0.527 -7.665 1.00 0.00 C ATOM 1069 O ASN A 70 7.427 0.094 -6.780 1.00 0.00 O ATOM 1070 CB ASN A 70 4.474 -0.220 -6.849 1.00 0.00 C ATOM 1071 CG ASN A 70 4.405 1.165 -6.205 1.00 0.00 C ATOM 1072 OD1 ASN A 70 4.606 2.165 -6.864 1.00 0.00 O ATOM 1073 ND2 ASN A 70 4.125 1.268 -4.936 1.00 0.00 N ATOM 0 H ASN A 70 5.352 -2.303 -7.903 1.00 0.00 H new ATOM 0 HA ASN A 70 4.938 0.376 -8.867 1.00 0.00 H new ATOM 0 HB2 ASN A 70 3.479 -0.538 -7.161 1.00 0.00 H new ATOM 0 HB3 ASN A 70 4.830 -0.952 -6.124 1.00 0.00 H new ATOM 0 HD21 ASN A 70 4.075 2.188 -4.498 1.00 0.00 H new ATOM 0 HD22 ASN A 70 3.956 0.429 -4.381 1.00 0.00 H new ATOM 1080 N PHE A 71 7.031 1.611 -8.319 1.00 0.00 N ATOM 1081 CA PHE A 71 8.285 2.347 -7.988 1.00 0.00 C ATOM 1082 C PHE A 71 8.144 3.804 -8.434 1.00 0.00 C ATOM 1083 O PHE A 71 7.068 4.255 -8.772 1.00 0.00 O ATOM 1084 CB PHE A 71 9.468 1.700 -8.712 1.00 0.00 C ATOM 1085 CG PHE A 71 9.029 1.201 -10.070 1.00 0.00 C ATOM 1086 CD1 PHE A 71 8.278 2.028 -10.917 1.00 0.00 C ATOM 1087 CD2 PHE A 71 9.375 -0.091 -10.484 1.00 0.00 C ATOM 1088 CE1 PHE A 71 7.874 1.563 -12.173 1.00 0.00 C ATOM 1089 CE2 PHE A 71 8.971 -0.556 -11.741 1.00 0.00 C ATOM 1090 CZ PHE A 71 8.221 0.270 -12.585 1.00 0.00 C ATOM 0 H PHE A 71 6.474 2.020 -9.069 1.00 0.00 H new ATOM 0 HA PHE A 71 8.459 2.308 -6.913 1.00 0.00 H new ATOM 0 HB2 PHE A 71 10.276 2.423 -8.824 1.00 0.00 H new ATOM 0 HB3 PHE A 71 9.860 0.873 -8.120 1.00 0.00 H new ATOM 0 HD1 PHE A 71 8.011 3.025 -10.600 1.00 0.00 H new ATOM 0 HD2 PHE A 71 9.954 -0.729 -9.833 1.00 0.00 H new ATOM 0 HE1 PHE A 71 7.295 2.201 -12.825 1.00 0.00 H new ATOM 0 HE2 PHE A 71 9.238 -1.553 -12.059 1.00 0.00 H new ATOM 0 HZ PHE A 71 7.909 -0.089 -13.555 1.00 0.00 H new ATOM 1100 N ASN A 72 9.219 4.542 -8.447 1.00 0.00 N ATOM 1101 CA ASN A 72 9.129 5.964 -8.880 1.00 0.00 C ATOM 1102 C ASN A 72 9.523 6.071 -10.353 1.00 0.00 C ATOM 1103 O ASN A 72 10.470 6.747 -10.706 1.00 0.00 O ATOM 1104 CB ASN A 72 10.074 6.820 -8.034 1.00 0.00 C ATOM 1105 CG ASN A 72 9.253 7.719 -7.107 1.00 0.00 C ATOM 1106 OD1 ASN A 72 9.432 8.921 -7.093 1.00 0.00 O ATOM 1107 ND2 ASN A 72 8.356 7.184 -6.326 1.00 0.00 N ATOM 0 H ASN A 72 10.150 4.225 -8.178 1.00 0.00 H new ATOM 0 HA ASN A 72 8.107 6.319 -8.749 1.00 0.00 H new ATOM 0 HB2 ASN A 72 10.735 6.181 -7.448 1.00 0.00 H new ATOM 0 HB3 ASN A 72 10.708 7.427 -8.680 1.00 0.00 H new ATOM 0 HD21 ASN A 72 7.805 7.774 -5.703 1.00 0.00 H new ATOM 0 HD22 ASN A 72 8.206 6.175 -6.338 1.00 0.00 H new ATOM 1114 N GLU A 73 8.804 5.410 -11.216 1.00 0.00 N ATOM 1115 CA GLU A 73 9.134 5.472 -12.668 1.00 0.00 C ATOM 1116 C GLU A 73 7.966 4.905 -13.477 1.00 0.00 C ATOM 1117 O GLU A 73 8.154 4.266 -14.493 1.00 0.00 O ATOM 1118 CB GLU A 73 10.395 4.648 -12.940 1.00 0.00 C ATOM 1119 CG GLU A 73 11.023 5.095 -14.262 1.00 0.00 C ATOM 1120 CD GLU A 73 12.134 6.109 -13.983 1.00 0.00 C ATOM 1121 OE1 GLU A 73 12.105 6.712 -12.922 1.00 0.00 O ATOM 1122 OE2 GLU A 73 12.993 6.266 -14.834 1.00 0.00 O ATOM 0 H GLU A 73 8.000 4.828 -10.979 1.00 0.00 H new ATOM 0 HA GLU A 73 9.310 6.507 -12.960 1.00 0.00 H new ATOM 0 HB2 GLU A 73 11.108 4.775 -12.125 1.00 0.00 H new ATOM 0 HB3 GLU A 73 10.147 3.588 -12.984 1.00 0.00 H new ATOM 0 HG2 GLU A 73 11.427 4.234 -14.794 1.00 0.00 H new ATOM 0 HG3 GLU A 73 10.264 5.540 -14.905 1.00 0.00 H new ATOM 1129 N GLN A 74 6.760 5.135 -13.034 1.00 0.00 N ATOM 1130 CA GLN A 74 5.579 4.612 -13.775 1.00 0.00 C ATOM 1131 C GLN A 74 4.669 5.776 -14.168 1.00 0.00 C ATOM 1132 O GLN A 74 4.565 6.132 -15.326 1.00 0.00 O ATOM 1133 CB GLN A 74 4.804 3.644 -12.879 1.00 0.00 C ATOM 1134 CG GLN A 74 4.094 2.602 -13.744 1.00 0.00 C ATOM 1135 CD GLN A 74 5.114 1.589 -14.265 1.00 0.00 C ATOM 1136 OE1 GLN A 74 5.638 1.740 -15.350 1.00 0.00 O ATOM 1137 NE2 GLN A 74 5.421 0.556 -13.530 1.00 0.00 N ATOM 0 H GLN A 74 6.542 5.664 -12.189 1.00 0.00 H new ATOM 0 HA GLN A 74 5.914 4.091 -14.672 1.00 0.00 H new ATOM 0 HB2 GLN A 74 5.484 3.152 -12.184 1.00 0.00 H new ATOM 0 HB3 GLN A 74 4.076 4.191 -12.279 1.00 0.00 H new ATOM 0 HG2 GLN A 74 3.326 2.093 -13.162 1.00 0.00 H new ATOM 0 HG3 GLN A 74 3.591 3.089 -14.579 1.00 0.00 H new ATOM 0 HE21 GLN A 74 4.981 0.430 -12.619 1.00 0.00 H new ATOM 0 HE22 GLN A 74 6.101 -0.125 -13.867 1.00 0.00 H new ATOM 1146 N LEU A 75 4.010 6.372 -13.213 1.00 0.00 N ATOM 1147 CA LEU A 75 3.106 7.513 -13.529 1.00 0.00 C ATOM 1148 C LEU A 75 3.850 8.831 -13.309 1.00 0.00 C ATOM 1149 O LEU A 75 3.252 9.856 -13.047 1.00 0.00 O ATOM 1150 CB LEU A 75 1.881 7.462 -12.612 1.00 0.00 C ATOM 1151 CG LEU A 75 0.611 7.375 -13.460 1.00 0.00 C ATOM 1152 CD1 LEU A 75 -0.442 6.549 -12.719 1.00 0.00 C ATOM 1153 CD2 LEU A 75 0.069 8.783 -13.711 1.00 0.00 C ATOM 0 H LEU A 75 4.059 6.118 -12.226 1.00 0.00 H new ATOM 0 HA LEU A 75 2.787 7.445 -14.569 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.947 6.601 -11.947 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.849 8.350 -11.981 1.00 0.00 H new ATOM 0 HG LEU A 75 0.842 6.898 -14.413 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.347 6.487 -13.323 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.057 5.545 -12.539 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.674 7.025 -11.766 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.836 8.722 -14.315 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.162 9.259 -12.758 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.819 9.373 -14.239 1.00 0.00 H new