USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 702 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 33 THR OG1 : rot -79:sc= 2.36 USER MOD Set 1.2: A 35 THR OG1 : rot -23:sc= 0.346 USER MOD Set 2.1: A 13 ASN : amide:sc= 0.829 K(o=0.83,f=-0.79) USER MOD Set 2.2: A 25 TYR OH : rot -147:sc= 0.00273 USER MOD Single : A 1 GLY N :NH3+ -141:sc= 0.0708 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.083 USER MOD Single : A 6 SER OG : rot 4:sc= 1.18 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc=-0.00117 (180deg=-0.00117) USER MOD Single : A 17 THR OG1 : rot 74:sc= 1.3 USER MOD Single : A 26 SER OG : rot -150:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0716 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0223 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.094) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 67:sc= 0.878 USER MOD Single : A 65 GLN : amide:sc= -1.13 K(o=-1.1,f=-0.55) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot -147:sc= 1.24 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0.0183 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 10:sc= 1.13 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.120 -17.540 -10.956 1.00 0.00 N ATOM 2 CA GLY A 1 -13.911 -16.722 -10.812 1.00 0.00 C ATOM 3 C GLY A 1 -13.874 -16.036 -9.461 1.00 0.00 C ATOM 4 O GLY A 1 -14.399 -16.589 -8.498 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.884 -18.424 -11.451 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.503 -17.762 -10.015 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.831 -17.015 -11.504 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.028 -17.350 -10.929 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.878 -15.974 -11.604 1.00 0.00 H new ATOM 8 N SER A 2 -13.306 -14.827 -9.405 1.00 0.00 N ATOM 9 CA SER A 2 -13.046 -13.999 -8.227 1.00 0.00 C ATOM 10 C SER A 2 -11.647 -14.341 -7.715 1.00 0.00 C ATOM 11 O SER A 2 -11.449 -15.348 -7.032 1.00 0.00 O ATOM 12 CB SER A 2 -14.148 -14.096 -7.154 1.00 0.00 C ATOM 13 OG SER A 2 -14.236 -12.909 -6.387 1.00 0.00 O ATOM 0 H SER A 2 -12.990 -14.365 -10.257 1.00 0.00 H new ATOM 0 HA SER A 2 -13.074 -12.946 -8.506 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.107 -14.292 -7.634 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.942 -14.940 -6.496 1.00 0.00 H new ATOM 0 HG SER A 2 -14.945 -13.004 -5.718 1.00 0.00 H new ATOM 19 N SER A 3 -10.656 -13.540 -8.115 1.00 0.00 N ATOM 20 CA SER A 3 -9.280 -13.693 -7.665 1.00 0.00 C ATOM 21 C SER A 3 -9.187 -13.305 -6.191 1.00 0.00 C ATOM 22 O SER A 3 -9.309 -12.130 -5.839 1.00 0.00 O ATOM 23 CB SER A 3 -8.341 -12.836 -8.509 1.00 0.00 C ATOM 24 OG SER A 3 -8.446 -13.180 -9.878 1.00 0.00 O ATOM 0 H SER A 3 -10.792 -12.765 -8.764 1.00 0.00 H new ATOM 0 HA SER A 3 -8.976 -14.733 -7.781 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.583 -11.782 -8.374 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.314 -12.973 -8.172 1.00 0.00 H new ATOM 0 HG SER A 3 -7.838 -12.619 -10.404 1.00 0.00 H new ATOM 30 N GLY A 4 -8.996 -14.301 -5.337 1.00 0.00 N ATOM 31 CA GLY A 4 -8.785 -14.148 -3.914 1.00 0.00 C ATOM 32 C GLY A 4 -7.433 -13.528 -3.574 1.00 0.00 C ATOM 33 O GLY A 4 -6.695 -13.031 -4.433 1.00 0.00 O ATOM 0 H GLY A 4 -8.984 -15.276 -5.635 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.578 -13.526 -3.500 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.862 -15.124 -3.434 1.00 0.00 H new ATOM 37 N SER A 5 -7.112 -13.524 -2.286 1.00 0.00 N ATOM 38 CA SER A 5 -5.879 -12.984 -1.731 1.00 0.00 C ATOM 39 C SER A 5 -5.412 -13.886 -0.575 1.00 0.00 C ATOM 40 O SER A 5 -6.194 -14.692 -0.056 1.00 0.00 O ATOM 41 CB SER A 5 -6.162 -11.540 -1.301 1.00 0.00 C ATOM 42 OG SER A 5 -6.626 -10.765 -2.398 1.00 0.00 O ATOM 0 H SER A 5 -7.728 -13.912 -1.572 1.00 0.00 H new ATOM 0 HA SER A 5 -5.066 -12.967 -2.457 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.907 -11.533 -0.505 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.255 -11.094 -0.893 1.00 0.00 H new ATOM 0 HG SER A 5 -6.802 -9.848 -2.100 1.00 0.00 H new ATOM 48 N SER A 6 -4.121 -13.848 -0.240 1.00 0.00 N ATOM 49 CA SER A 6 -3.445 -14.625 0.799 1.00 0.00 C ATOM 50 C SER A 6 -2.029 -14.054 0.967 1.00 0.00 C ATOM 51 O SER A 6 -1.581 -13.291 0.105 1.00 0.00 O ATOM 52 CB SER A 6 -3.326 -16.101 0.366 1.00 0.00 C ATOM 53 OG SER A 6 -4.579 -16.765 0.318 1.00 0.00 O ATOM 0 H SER A 6 -3.473 -13.227 -0.724 1.00 0.00 H new ATOM 0 HA SER A 6 -4.011 -14.568 1.729 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.857 -16.149 -0.617 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.669 -16.626 1.059 1.00 0.00 H new ATOM 0 HG SER A 6 -5.295 -16.127 0.518 1.00 0.00 H new ATOM 59 N GLY A 7 -1.305 -14.503 1.997 1.00 0.00 N ATOM 60 CA GLY A 7 0.129 -14.274 2.125 1.00 0.00 C ATOM 61 C GLY A 7 0.435 -12.789 2.289 1.00 0.00 C ATOM 62 O GLY A 7 -0.348 -12.066 2.907 1.00 0.00 O ATOM 0 H GLY A 7 -1.704 -15.038 2.768 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.513 -14.825 2.984 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.642 -14.659 1.244 1.00 0.00 H new ATOM 66 N PHE A 8 1.535 -12.329 1.684 1.00 0.00 N ATOM 67 CA PHE A 8 1.941 -10.924 1.619 1.00 0.00 C ATOM 68 C PHE A 8 0.762 -9.972 1.433 1.00 0.00 C ATOM 69 O PHE A 8 0.658 -8.974 2.139 1.00 0.00 O ATOM 70 CB PHE A 8 2.903 -10.726 0.445 1.00 0.00 C ATOM 71 CG PHE A 8 3.319 -9.287 0.234 1.00 0.00 C ATOM 72 CD1 PHE A 8 4.252 -8.701 1.106 1.00 0.00 C ATOM 73 CD2 PHE A 8 2.739 -8.523 -0.797 1.00 0.00 C ATOM 74 CE1 PHE A 8 4.601 -7.349 0.953 1.00 0.00 C ATOM 75 CE2 PHE A 8 3.090 -7.171 -0.946 1.00 0.00 C ATOM 76 CZ PHE A 8 4.013 -6.583 -0.066 1.00 0.00 C ATOM 0 H PHE A 8 2.191 -12.949 1.209 1.00 0.00 H new ATOM 0 HA PHE A 8 2.416 -10.691 2.572 1.00 0.00 H new ATOM 0 HB2 PHE A 8 3.794 -11.332 0.611 1.00 0.00 H new ATOM 0 HB3 PHE A 8 2.431 -11.096 -0.466 1.00 0.00 H new ATOM 0 HD1 PHE A 8 4.700 -9.289 1.893 1.00 0.00 H new ATOM 0 HD2 PHE A 8 2.027 -8.975 -1.471 1.00 0.00 H new ATOM 0 HE1 PHE A 8 5.322 -6.899 1.619 1.00 0.00 H new ATOM 0 HE2 PHE A 8 2.650 -6.583 -1.738 1.00 0.00 H new ATOM 0 HZ PHE A 8 4.271 -5.540 -0.173 1.00 0.00 H new ATOM 86 N LYS A 9 -0.119 -10.257 0.468 1.00 0.00 N ATOM 87 CA LYS A 9 -1.233 -9.375 0.154 1.00 0.00 C ATOM 88 C LYS A 9 -2.149 -9.178 1.369 1.00 0.00 C ATOM 89 O LYS A 9 -2.674 -8.075 1.506 1.00 0.00 O ATOM 90 CB LYS A 9 -1.954 -9.911 -1.096 1.00 0.00 C ATOM 91 CG LYS A 9 -3.148 -9.053 -1.538 1.00 0.00 C ATOM 92 CD LYS A 9 -3.704 -9.509 -2.895 1.00 0.00 C ATOM 93 CE LYS A 9 -2.995 -8.937 -4.122 1.00 0.00 C ATOM 94 NZ LYS A 9 -3.471 -7.574 -4.431 1.00 0.00 N ATOM 0 H LYS A 9 -0.076 -11.098 -0.108 1.00 0.00 H new ATOM 0 HA LYS A 9 -0.870 -8.375 -0.083 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.240 -9.974 -1.917 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.301 -10.925 -0.897 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -3.934 -9.109 -0.785 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.842 -8.009 -1.603 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -3.653 -10.597 -2.942 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -4.758 -9.237 -2.946 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -1.919 -8.918 -3.947 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -3.167 -9.587 -4.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -2.971 -7.213 -5.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -4.493 -7.598 -4.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -3.285 -6.949 -3.621 1.00 0.00 H new ATOM 108 N ALA A 10 -2.329 -10.180 2.234 1.00 0.00 N ATOM 109 CA ALA A 10 -3.092 -10.078 3.471 1.00 0.00 C ATOM 110 C ALA A 10 -2.304 -9.289 4.506 1.00 0.00 C ATOM 111 O ALA A 10 -2.848 -8.312 5.006 1.00 0.00 O ATOM 112 CB ALA A 10 -3.436 -11.470 4.020 1.00 0.00 C ATOM 0 H ALA A 10 -1.935 -11.109 2.084 1.00 0.00 H new ATOM 0 HA ALA A 10 -4.024 -9.556 3.256 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.006 -11.366 4.944 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.031 -12.014 3.286 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.516 -12.019 4.221 1.00 0.00 H new ATOM 118 N GLU A 11 -1.044 -9.646 4.788 1.00 0.00 N ATOM 119 CA GLU A 11 -0.220 -8.920 5.766 1.00 0.00 C ATOM 120 C GLU A 11 -0.220 -7.425 5.439 1.00 0.00 C ATOM 121 O GLU A 11 -0.376 -6.580 6.315 1.00 0.00 O ATOM 122 CB GLU A 11 1.244 -9.371 5.722 1.00 0.00 C ATOM 123 CG GLU A 11 1.686 -10.558 6.571 1.00 0.00 C ATOM 124 CD GLU A 11 2.433 -10.116 7.839 1.00 0.00 C ATOM 125 OE1 GLU A 11 3.622 -9.725 7.743 1.00 0.00 O ATOM 126 OE2 GLU A 11 1.849 -10.203 8.941 1.00 0.00 O ATOM 0 H GLU A 11 -0.571 -10.437 4.351 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.647 -9.124 6.748 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.484 -9.603 4.684 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.858 -8.517 6.008 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.813 -11.147 6.852 1.00 0.00 H new ATOM 0 HG3 GLU A 11 2.331 -11.207 5.978 1.00 0.00 H new ATOM 133 N LEU A 12 -0.009 -7.089 4.165 1.00 0.00 N ATOM 134 CA LEU A 12 0.086 -5.719 3.691 1.00 0.00 C ATOM 135 C LEU A 12 -1.238 -4.980 3.877 1.00 0.00 C ATOM 136 O LEU A 12 -1.237 -3.818 4.269 1.00 0.00 O ATOM 137 CB LEU A 12 0.532 -5.730 2.223 1.00 0.00 C ATOM 138 CG LEU A 12 1.056 -4.357 1.771 1.00 0.00 C ATOM 139 CD1 LEU A 12 2.450 -4.055 2.344 1.00 0.00 C ATOM 140 CD2 LEU A 12 1.098 -4.340 0.247 1.00 0.00 C ATOM 0 H LEU A 12 0.102 -7.781 3.424 1.00 0.00 H new ATOM 0 HA LEU A 12 0.828 -5.179 4.280 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.312 -6.479 2.087 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.306 -6.024 1.591 1.00 0.00 H new ATOM 0 HG LEU A 12 0.386 -3.584 2.147 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.781 -3.075 1.999 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.405 -4.060 3.433 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.154 -4.815 2.007 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.467 -3.374 -0.096 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.762 -5.129 -0.108 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.095 -4.506 -0.146 1.00 0.00 H new ATOM 152 N ASN A 13 -2.356 -5.650 3.602 1.00 0.00 N ATOM 153 CA ASN A 13 -3.706 -5.142 3.820 1.00 0.00 C ATOM 154 C ASN A 13 -3.925 -4.883 5.313 1.00 0.00 C ATOM 155 O ASN A 13 -4.346 -3.790 5.693 1.00 0.00 O ATOM 156 CB ASN A 13 -4.718 -6.171 3.284 1.00 0.00 C ATOM 157 CG ASN A 13 -5.299 -5.828 1.920 1.00 0.00 C ATOM 158 OD1 ASN A 13 -6.151 -4.963 1.765 1.00 0.00 O ATOM 159 ND2 ASN A 13 -4.934 -6.587 0.899 1.00 0.00 N ATOM 0 H ASN A 13 -2.345 -6.591 3.209 1.00 0.00 H new ATOM 0 HA ASN A 13 -3.845 -4.200 3.289 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.231 -7.144 3.224 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -5.534 -6.267 4.000 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -5.363 -6.451 -0.016 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -4.224 -7.308 1.028 1.00 0.00 H new ATOM 166 N GLU A 14 -3.642 -5.873 6.165 1.00 0.00 N ATOM 167 CA GLU A 14 -3.872 -5.815 7.609 1.00 0.00 C ATOM 168 C GLU A 14 -2.915 -4.822 8.287 1.00 0.00 C ATOM 169 O GLU A 14 -3.250 -4.253 9.322 1.00 0.00 O ATOM 170 CB GLU A 14 -3.757 -7.218 8.242 1.00 0.00 C ATOM 171 CG GLU A 14 -4.733 -8.285 7.687 1.00 0.00 C ATOM 172 CD GLU A 14 -6.022 -8.505 8.499 1.00 0.00 C ATOM 173 OE1 GLU A 14 -6.921 -7.637 8.546 1.00 0.00 O ATOM 174 OE2 GLU A 14 -6.254 -9.637 8.990 1.00 0.00 O ATOM 0 H GLU A 14 -3.237 -6.758 5.861 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.888 -5.455 7.770 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.737 -7.577 8.103 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -3.919 -7.127 9.316 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.010 -8.002 6.671 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.202 -9.235 7.620 1.00 0.00 H new ATOM 181 N PHE A 15 -1.734 -4.586 7.715 1.00 0.00 N ATOM 182 CA PHE A 15 -0.801 -3.529 8.087 1.00 0.00 C ATOM 183 C PHE A 15 -1.424 -2.173 7.747 1.00 0.00 C ATOM 184 O PHE A 15 -1.685 -1.365 8.640 1.00 0.00 O ATOM 185 CB PHE A 15 0.538 -3.762 7.356 1.00 0.00 C ATOM 186 CG PHE A 15 1.478 -2.574 7.294 1.00 0.00 C ATOM 187 CD1 PHE A 15 2.119 -2.117 8.457 1.00 0.00 C ATOM 188 CD2 PHE A 15 1.689 -1.901 6.073 1.00 0.00 C ATOM 189 CE1 PHE A 15 2.972 -1.004 8.391 1.00 0.00 C ATOM 190 CE2 PHE A 15 2.502 -0.754 6.018 1.00 0.00 C ATOM 191 CZ PHE A 15 3.162 -0.323 7.178 1.00 0.00 C ATOM 0 H PHE A 15 -1.388 -5.156 6.943 1.00 0.00 H new ATOM 0 HA PHE A 15 -0.599 -3.540 9.158 1.00 0.00 H new ATOM 0 HB2 PHE A 15 1.058 -4.586 7.845 1.00 0.00 H new ATOM 0 HB3 PHE A 15 0.322 -4.082 6.337 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.956 -2.620 9.399 1.00 0.00 H new ATOM 0 HD2 PHE A 15 1.222 -2.269 5.172 1.00 0.00 H new ATOM 0 HE1 PHE A 15 3.486 -0.669 9.280 1.00 0.00 H new ATOM 0 HE2 PHE A 15 2.617 -0.211 5.092 1.00 0.00 H new ATOM 0 HZ PHE A 15 3.818 0.534 7.138 1.00 0.00 H new ATOM 201 N LEU A 16 -1.670 -1.934 6.455 1.00 0.00 N ATOM 202 CA LEU A 16 -2.099 -0.644 5.926 1.00 0.00 C ATOM 203 C LEU A 16 -3.394 -0.169 6.560 1.00 0.00 C ATOM 204 O LEU A 16 -3.543 1.027 6.792 1.00 0.00 O ATOM 205 CB LEU A 16 -2.329 -0.768 4.419 1.00 0.00 C ATOM 206 CG LEU A 16 -1.032 -0.720 3.607 1.00 0.00 C ATOM 207 CD1 LEU A 16 -1.322 -1.156 2.175 1.00 0.00 C ATOM 208 CD2 LEU A 16 -0.421 0.681 3.652 1.00 0.00 C ATOM 0 H LEU A 16 -1.573 -2.650 5.736 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.314 0.078 6.153 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.845 -1.705 4.212 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.986 0.037 4.090 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.303 -1.405 4.041 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.402 -1.124 1.591 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.715 -2.173 2.177 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.056 -0.484 1.732 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.500 0.695 3.069 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.126 1.399 3.234 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.201 0.949 4.685 1.00 0.00 H new ATOM 220 N THR A 17 -4.305 -1.095 6.860 1.00 0.00 N ATOM 221 CA THR A 17 -5.562 -0.793 7.519 1.00 0.00 C ATOM 222 C THR A 17 -5.337 0.050 8.780 1.00 0.00 C ATOM 223 O THR A 17 -6.104 0.980 9.026 1.00 0.00 O ATOM 224 CB THR A 17 -6.287 -2.109 7.829 1.00 0.00 C ATOM 225 OG1 THR A 17 -6.652 -2.753 6.616 1.00 0.00 O ATOM 226 CG2 THR A 17 -7.545 -1.870 8.655 1.00 0.00 C ATOM 0 H THR A 17 -4.183 -2.085 6.647 1.00 0.00 H new ATOM 0 HA THR A 17 -6.189 -0.194 6.858 1.00 0.00 H new ATOM 0 HB THR A 17 -5.605 -2.737 8.403 1.00 0.00 H new ATOM 0 HG1 THR A 17 -5.853 -3.133 6.194 1.00 0.00 H new ATOM 0 HG21 THR A 17 -8.034 -2.823 8.857 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.276 -1.393 9.598 1.00 0.00 H new ATOM 0 HG23 THR A 17 -8.226 -1.223 8.102 1.00 0.00 H new ATOM 234 N ARG A 18 -4.332 -0.288 9.593 1.00 0.00 N ATOM 235 CA ARG A 18 -4.069 0.406 10.847 1.00 0.00 C ATOM 236 C ARG A 18 -3.270 1.666 10.590 1.00 0.00 C ATOM 237 O ARG A 18 -3.539 2.694 11.217 1.00 0.00 O ATOM 238 CB ARG A 18 -3.289 -0.490 11.822 1.00 0.00 C ATOM 239 CG ARG A 18 -4.206 -1.422 12.611 1.00 0.00 C ATOM 240 CD ARG A 18 -4.575 -2.679 11.834 1.00 0.00 C ATOM 241 NE ARG A 18 -6.021 -2.928 11.834 1.00 0.00 N ATOM 242 CZ ARG A 18 -6.599 -4.102 11.576 1.00 0.00 C ATOM 243 NH1 ARG A 18 -5.850 -5.171 11.332 1.00 0.00 N ATOM 244 NH2 ARG A 18 -7.921 -4.205 11.589 1.00 0.00 N ATOM 0 H ARG A 18 -3.682 -1.049 9.397 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.031 0.661 11.292 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -2.563 -1.083 11.266 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.726 0.135 12.515 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.715 -1.706 13.542 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.116 -0.887 12.881 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.225 -2.584 10.806 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -4.061 -3.536 12.268 1.00 0.00 H new ATOM 0 HE ARG A 18 -6.633 -2.141 12.048 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -4.833 -5.094 11.342 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.292 -6.069 11.135 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -8.494 -3.387 11.796 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -8.365 -5.102 11.392 1.00 0.00 H new ATOM 258 N GLU A 19 -2.266 1.586 9.724 1.00 0.00 N ATOM 259 CA GLU A 19 -1.331 2.669 9.518 1.00 0.00 C ATOM 260 C GLU A 19 -1.972 3.847 8.772 1.00 0.00 C ATOM 261 O GLU A 19 -1.477 4.968 8.908 1.00 0.00 O ATOM 262 CB GLU A 19 -0.102 2.095 8.792 1.00 0.00 C ATOM 263 CG GLU A 19 1.085 1.858 9.738 1.00 0.00 C ATOM 264 CD GLU A 19 0.954 0.762 10.809 1.00 0.00 C ATOM 265 OE1 GLU A 19 -0.118 0.548 11.407 1.00 0.00 O ATOM 266 OE2 GLU A 19 1.992 0.137 11.135 1.00 0.00 O ATOM 0 H GLU A 19 -2.083 0.764 9.148 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.019 3.086 10.476 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.374 1.154 8.313 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.200 2.780 8.000 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.956 1.623 9.126 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.297 2.798 10.248 1.00 0.00 H new ATOM 273 N LEU A 20 -3.068 3.617 8.033 1.00 0.00 N ATOM 274 CA LEU A 20 -3.859 4.604 7.292 1.00 0.00 C ATOM 275 C LEU A 20 -5.308 4.623 7.803 1.00 0.00 C ATOM 276 O LEU A 20 -6.249 4.866 7.042 1.00 0.00 O ATOM 277 CB LEU A 20 -3.793 4.308 5.777 1.00 0.00 C ATOM 278 CG LEU A 20 -2.390 4.424 5.164 1.00 0.00 C ATOM 279 CD1 LEU A 20 -2.461 3.920 3.723 1.00 0.00 C ATOM 280 CD2 LEU A 20 -1.887 5.869 5.168 1.00 0.00 C ATOM 0 H LEU A 20 -3.447 2.676 7.932 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.439 5.596 7.458 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.170 3.301 5.600 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.461 4.995 5.256 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.695 3.831 5.759 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.475 3.992 3.263 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.789 2.881 3.717 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.169 4.528 3.159 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.891 5.909 4.726 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.567 6.493 4.587 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.844 6.236 6.193 1.00 0.00 H new ATOM 292 N ALA A 21 -5.516 4.329 9.092 1.00 0.00 N ATOM 293 CA ALA A 21 -6.851 4.105 9.640 1.00 0.00 C ATOM 294 C ALA A 21 -7.809 5.279 9.421 1.00 0.00 C ATOM 295 O ALA A 21 -8.966 5.057 9.058 1.00 0.00 O ATOM 296 CB ALA A 21 -6.770 3.740 11.125 1.00 0.00 C ATOM 0 H ALA A 21 -4.766 4.241 9.778 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.271 3.266 9.085 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.775 3.577 11.515 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -6.182 2.830 11.244 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.295 4.553 11.674 1.00 0.00 H new ATOM 302 N GLU A 22 -7.376 6.519 9.655 1.00 0.00 N ATOM 303 CA GLU A 22 -8.257 7.684 9.526 1.00 0.00 C ATOM 304 C GLU A 22 -8.306 8.192 8.077 1.00 0.00 C ATOM 305 O GLU A 22 -9.137 9.038 7.738 1.00 0.00 O ATOM 306 CB GLU A 22 -7.848 8.789 10.516 1.00 0.00 C ATOM 307 CG GLU A 22 -7.987 8.305 11.974 1.00 0.00 C ATOM 308 CD GLU A 22 -7.927 9.416 13.032 1.00 0.00 C ATOM 309 OE1 GLU A 22 -8.390 10.550 12.773 1.00 0.00 O ATOM 310 OE2 GLU A 22 -7.492 9.117 14.168 1.00 0.00 O ATOM 0 H GLU A 22 -6.421 6.744 9.935 1.00 0.00 H new ATOM 0 HA GLU A 22 -9.270 7.375 9.783 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.818 9.089 10.326 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.471 9.670 10.361 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -8.934 7.776 12.077 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.195 7.584 12.179 1.00 0.00 H new ATOM 317 N ASP A 23 -7.460 7.660 7.193 1.00 0.00 N ATOM 318 CA ASP A 23 -7.243 8.187 5.859 1.00 0.00 C ATOM 319 C ASP A 23 -8.354 7.829 4.888 1.00 0.00 C ATOM 320 O ASP A 23 -8.409 8.428 3.817 1.00 0.00 O ATOM 321 CB ASP A 23 -5.954 7.626 5.255 1.00 0.00 C ATOM 322 CG ASP A 23 -4.693 8.061 5.993 1.00 0.00 C ATOM 323 OD1 ASP A 23 -4.642 7.895 7.224 1.00 0.00 O ATOM 324 OD2 ASP A 23 -3.780 8.612 5.336 1.00 0.00 O ATOM 0 H ASP A 23 -6.898 6.833 7.396 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.199 9.269 5.987 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.007 6.537 5.254 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.883 7.942 4.214 1.00 0.00 H new ATOM 329 N GLY A 24 -9.205 6.845 5.172 1.00 0.00 N ATOM 330 CA GLY A 24 -10.018 6.293 4.100 1.00 0.00 C ATOM 331 C GLY A 24 -9.187 5.320 3.280 1.00 0.00 C ATOM 332 O GLY A 24 -9.169 5.411 2.051 1.00 0.00 O ATOM 0 H GLY A 24 -9.345 6.431 6.094 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -10.888 5.784 4.515 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.391 7.095 3.463 1.00 0.00 H new ATOM 336 N TYR A 25 -8.474 4.411 3.946 1.00 0.00 N ATOM 337 CA TYR A 25 -7.851 3.286 3.283 1.00 0.00 C ATOM 338 C TYR A 25 -8.951 2.397 2.688 1.00 0.00 C ATOM 339 O TYR A 25 -10.001 2.224 3.309 1.00 0.00 O ATOM 340 CB TYR A 25 -7.007 2.554 4.326 1.00 0.00 C ATOM 341 CG TYR A 25 -6.353 1.313 3.779 1.00 0.00 C ATOM 342 CD1 TYR A 25 -5.357 1.426 2.798 1.00 0.00 C ATOM 343 CD2 TYR A 25 -6.791 0.052 4.207 1.00 0.00 C ATOM 344 CE1 TYR A 25 -4.830 0.269 2.195 1.00 0.00 C ATOM 345 CE2 TYR A 25 -6.212 -1.107 3.674 1.00 0.00 C ATOM 346 CZ TYR A 25 -5.242 -1.001 2.658 1.00 0.00 C ATOM 347 OH TYR A 25 -4.695 -2.122 2.129 1.00 0.00 O ATOM 0 H TYR A 25 -8.318 4.441 4.954 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.202 3.592 2.462 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -6.238 3.228 4.703 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -7.638 2.284 5.173 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -4.995 2.401 2.506 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -7.574 -0.026 4.947 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -4.118 0.351 1.387 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -6.508 -2.079 4.041 1.00 0.00 H new ATOM 0 HH TYR A 25 -5.362 -2.840 2.123 1.00 0.00 H new ATOM 357 N SER A 26 -8.724 1.828 1.501 1.00 0.00 N ATOM 358 CA SER A 26 -9.718 1.050 0.760 1.00 0.00 C ATOM 359 C SER A 26 -9.198 -0.343 0.379 1.00 0.00 C ATOM 360 O SER A 26 -9.984 -1.288 0.251 1.00 0.00 O ATOM 361 CB SER A 26 -10.133 1.844 -0.489 1.00 0.00 C ATOM 362 OG SER A 26 -11.404 2.440 -0.352 1.00 0.00 O ATOM 0 H SER A 26 -7.827 1.897 1.020 1.00 0.00 H new ATOM 0 HA SER A 26 -10.584 0.887 1.402 1.00 0.00 H new ATOM 0 HB2 SER A 26 -9.392 2.618 -0.686 1.00 0.00 H new ATOM 0 HB3 SER A 26 -10.138 1.180 -1.353 1.00 0.00 H new ATOM 0 HG SER A 26 -11.830 2.508 -1.232 1.00 0.00 H new ATOM 368 N GLY A 27 -7.888 -0.506 0.195 1.00 0.00 N ATOM 369 CA GLY A 27 -7.268 -1.772 -0.159 1.00 0.00 C ATOM 370 C GLY A 27 -5.911 -1.516 -0.781 1.00 0.00 C ATOM 371 O GLY A 27 -5.383 -0.405 -0.708 1.00 0.00 O ATOM 0 H GLY A 27 -7.219 0.258 0.291 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.161 -2.397 0.728 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.903 -2.317 -0.858 1.00 0.00 H new ATOM 375 N VAL A 28 -5.308 -2.540 -1.367 1.00 0.00 N ATOM 376 CA VAL A 28 -3.973 -2.436 -1.920 1.00 0.00 C ATOM 377 C VAL A 28 -3.834 -3.461 -3.038 1.00 0.00 C ATOM 378 O VAL A 28 -4.353 -4.580 -2.954 1.00 0.00 O ATOM 379 CB VAL A 28 -2.944 -2.602 -0.777 1.00 0.00 C ATOM 380 CG1 VAL A 28 -3.105 -3.907 0.023 1.00 0.00 C ATOM 381 CG2 VAL A 28 -1.499 -2.432 -1.240 1.00 0.00 C ATOM 0 H VAL A 28 -5.732 -3.462 -1.470 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.784 -1.458 -2.364 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.174 -1.782 -0.096 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.348 -3.950 0.806 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -4.096 -3.937 0.475 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.985 -4.760 -0.645 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.827 -2.560 -0.391 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.270 -3.179 -2.000 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.366 -1.435 -1.660 1.00 0.00 H new ATOM 391 N GLU A 29 -3.069 -3.087 -4.053 1.00 0.00 N ATOM 392 CA GLU A 29 -2.595 -3.944 -5.115 1.00 0.00 C ATOM 393 C GLU A 29 -1.071 -3.970 -5.070 1.00 0.00 C ATOM 394 O GLU A 29 -0.423 -3.212 -4.344 1.00 0.00 O ATOM 395 CB GLU A 29 -3.171 -3.497 -6.466 1.00 0.00 C ATOM 396 CG GLU A 29 -4.648 -3.915 -6.517 1.00 0.00 C ATOM 397 CD GLU A 29 -5.362 -3.684 -7.849 1.00 0.00 C ATOM 398 OE1 GLU A 29 -4.718 -3.612 -8.921 1.00 0.00 O ATOM 399 OE2 GLU A 29 -6.614 -3.721 -7.859 1.00 0.00 O ATOM 0 H GLU A 29 -2.748 -2.124 -4.158 1.00 0.00 H new ATOM 0 HA GLU A 29 -2.944 -4.967 -4.979 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -3.077 -2.417 -6.581 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.617 -3.955 -7.286 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.714 -4.975 -6.270 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -5.186 -3.373 -5.740 1.00 0.00 H new ATOM 406 N VAL A 30 -0.511 -4.939 -5.779 1.00 0.00 N ATOM 407 CA VAL A 30 0.899 -5.269 -5.753 1.00 0.00 C ATOM 408 C VAL A 30 1.310 -5.671 -7.160 1.00 0.00 C ATOM 409 O VAL A 30 0.552 -6.364 -7.849 1.00 0.00 O ATOM 410 CB VAL A 30 1.136 -6.347 -4.677 1.00 0.00 C ATOM 411 CG1 VAL A 30 0.292 -7.627 -4.836 1.00 0.00 C ATOM 412 CG2 VAL A 30 2.621 -6.720 -4.563 1.00 0.00 C ATOM 0 H VAL A 30 -1.048 -5.535 -6.409 1.00 0.00 H new ATOM 0 HA VAL A 30 1.529 -4.425 -5.471 1.00 0.00 H new ATOM 0 HB VAL A 30 0.799 -5.873 -3.755 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.531 -8.323 -4.032 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.767 -7.372 -4.793 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.514 -8.092 -5.796 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.747 -7.482 -3.794 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.973 -7.107 -5.519 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.199 -5.836 -4.295 1.00 0.00 H new ATOM 422 N ARG A 31 2.509 -5.272 -7.577 1.00 0.00 N ATOM 423 CA ARG A 31 3.071 -5.617 -8.874 1.00 0.00 C ATOM 424 C ARG A 31 4.434 -6.269 -8.701 1.00 0.00 C ATOM 425 O ARG A 31 5.018 -6.298 -7.611 1.00 0.00 O ATOM 426 CB ARG A 31 3.075 -4.373 -9.789 1.00 0.00 C ATOM 427 CG ARG A 31 1.797 -4.342 -10.632 1.00 0.00 C ATOM 428 CD ARG A 31 1.744 -3.145 -11.592 1.00 0.00 C ATOM 429 NE ARG A 31 0.557 -3.238 -12.460 1.00 0.00 N ATOM 430 CZ ARG A 31 0.414 -4.053 -13.514 1.00 0.00 C ATOM 431 NH1 ARG A 31 1.437 -4.780 -13.953 1.00 0.00 N ATOM 432 NH2 ARG A 31 -0.770 -4.153 -14.106 1.00 0.00 N ATOM 0 H ARG A 31 3.126 -4.690 -7.011 1.00 0.00 H new ATOM 0 HA ARG A 31 2.450 -6.361 -9.374 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.145 -3.468 -9.186 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.950 -4.392 -10.439 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.724 -5.266 -11.206 1.00 0.00 H new ATOM 0 HG3 ARG A 31 0.932 -4.309 -9.970 1.00 0.00 H new ATOM 0 HD2 ARG A 31 1.715 -2.215 -11.024 1.00 0.00 H new ATOM 0 HD3 ARG A 31 2.647 -3.118 -12.201 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.228 -2.626 -12.238 1.00 0.00 H new ATOM 0 HH11 ARG A 31 2.342 -4.721 -13.487 1.00 0.00 H new ATOM 0 HH12 ARG A 31 1.317 -5.397 -14.756 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.562 -3.612 -13.758 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -0.888 -4.771 -14.909 1.00 0.00 H new ATOM 446 N VAL A 32 4.914 -6.854 -9.788 1.00 0.00 N ATOM 447 CA VAL A 32 6.139 -7.623 -9.879 1.00 0.00 C ATOM 448 C VAL A 32 6.768 -7.168 -11.184 1.00 0.00 C ATOM 449 O VAL A 32 6.114 -7.209 -12.231 1.00 0.00 O ATOM 450 CB VAL A 32 5.822 -9.136 -9.781 1.00 0.00 C ATOM 451 CG1 VAL A 32 4.862 -9.653 -10.859 1.00 0.00 C ATOM 452 CG2 VAL A 32 7.093 -9.994 -9.784 1.00 0.00 C ATOM 0 H VAL A 32 4.427 -6.799 -10.682 1.00 0.00 H new ATOM 0 HA VAL A 32 6.845 -7.460 -9.065 1.00 0.00 H new ATOM 0 HB VAL A 32 5.314 -9.236 -8.822 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.695 -10.721 -10.716 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.912 -9.124 -10.784 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.296 -9.483 -11.844 1.00 0.00 H new ATOM 0 HG21 VAL A 32 6.821 -11.047 -9.714 1.00 0.00 H new ATOM 0 HG22 VAL A 32 7.645 -9.823 -10.708 1.00 0.00 H new ATOM 0 HG23 VAL A 32 7.717 -9.723 -8.933 1.00 0.00 H new ATOM 462 N THR A 33 7.960 -6.592 -11.126 1.00 0.00 N ATOM 463 CA THR A 33 8.687 -6.192 -12.321 1.00 0.00 C ATOM 464 C THR A 33 10.047 -6.895 -12.358 1.00 0.00 C ATOM 465 O THR A 33 10.463 -7.450 -11.331 1.00 0.00 O ATOM 466 CB THR A 33 8.766 -4.661 -12.391 1.00 0.00 C ATOM 467 OG1 THR A 33 9.678 -4.160 -11.447 1.00 0.00 O ATOM 468 CG2 THR A 33 7.416 -3.966 -12.227 1.00 0.00 C ATOM 0 H THR A 33 8.448 -6.390 -10.254 1.00 0.00 H new ATOM 0 HA THR A 33 8.160 -6.508 -13.221 1.00 0.00 H new ATOM 0 HB THR A 33 9.116 -4.434 -13.398 1.00 0.00 H new ATOM 0 HG1 THR A 33 9.259 -4.150 -10.561 1.00 0.00 H new ATOM 0 HG21 THR A 33 7.553 -2.886 -12.288 1.00 0.00 H new ATOM 0 HG22 THR A 33 6.741 -4.291 -13.018 1.00 0.00 H new ATOM 0 HG23 THR A 33 6.990 -4.224 -11.258 1.00 0.00 H new ATOM 476 N PRO A 34 10.788 -6.803 -13.476 1.00 0.00 N ATOM 477 CA PRO A 34 12.194 -7.166 -13.520 1.00 0.00 C ATOM 478 C PRO A 34 13.111 -6.083 -12.924 1.00 0.00 C ATOM 479 O PRO A 34 14.309 -6.093 -13.213 1.00 0.00 O ATOM 480 CB PRO A 34 12.476 -7.457 -14.997 1.00 0.00 C ATOM 481 CG PRO A 34 11.536 -6.512 -15.735 1.00 0.00 C ATOM 482 CD PRO A 34 10.327 -6.409 -14.806 1.00 0.00 C ATOM 0 HA PRO A 34 12.408 -8.035 -12.898 1.00 0.00 H new ATOM 0 HB2 PRO A 34 13.518 -7.265 -15.251 1.00 0.00 H new ATOM 0 HB3 PRO A 34 12.274 -8.499 -15.246 1.00 0.00 H new ATOM 0 HG2 PRO A 34 11.997 -5.538 -15.903 1.00 0.00 H new ATOM 0 HG3 PRO A 34 11.258 -6.906 -16.713 1.00 0.00 H new ATOM 0 HD2 PRO A 34 9.933 -5.393 -14.794 1.00 0.00 H new ATOM 0 HD3 PRO A 34 9.521 -7.060 -15.145 1.00 0.00 H new ATOM 490 N THR A 35 12.594 -5.108 -12.162 1.00 0.00 N ATOM 491 CA THR A 35 13.401 -4.028 -11.597 1.00 0.00 C ATOM 492 C THR A 35 13.195 -3.903 -10.084 1.00 0.00 C ATOM 493 O THR A 35 14.174 -3.892 -9.330 1.00 0.00 O ATOM 494 CB THR A 35 13.174 -2.716 -12.378 1.00 0.00 C ATOM 495 OG1 THR A 35 11.866 -2.201 -12.252 1.00 0.00 O ATOM 496 CG2 THR A 35 13.399 -2.906 -13.882 1.00 0.00 C ATOM 0 H THR A 35 11.604 -5.050 -11.923 1.00 0.00 H new ATOM 0 HA THR A 35 14.456 -4.272 -11.717 1.00 0.00 H new ATOM 0 HB THR A 35 13.893 -2.024 -11.939 1.00 0.00 H new ATOM 0 HG1 THR A 35 11.252 -2.924 -12.008 1.00 0.00 H new ATOM 0 HG21 THR A 35 13.230 -1.961 -14.397 1.00 0.00 H new ATOM 0 HG22 THR A 35 14.423 -3.237 -14.058 1.00 0.00 H new ATOM 0 HG23 THR A 35 12.705 -3.656 -14.262 1.00 0.00 H new ATOM 504 N ARG A 36 11.946 -3.804 -9.619 1.00 0.00 N ATOM 505 CA ARG A 36 11.602 -3.678 -8.205 1.00 0.00 C ATOM 506 C ARG A 36 10.190 -4.200 -7.937 1.00 0.00 C ATOM 507 O ARG A 36 9.362 -4.287 -8.848 1.00 0.00 O ATOM 508 CB ARG A 36 11.758 -2.209 -7.760 1.00 0.00 C ATOM 509 CG ARG A 36 10.899 -1.187 -8.519 1.00 0.00 C ATOM 510 CD ARG A 36 11.158 0.231 -7.996 1.00 0.00 C ATOM 511 NE ARG A 36 12.493 0.745 -8.366 1.00 0.00 N ATOM 512 CZ ARG A 36 12.878 2.030 -8.412 1.00 0.00 C ATOM 513 NH1 ARG A 36 12.011 3.012 -8.194 1.00 0.00 N ATOM 514 NH2 ARG A 36 14.152 2.308 -8.665 1.00 0.00 N ATOM 0 H ARG A 36 11.130 -3.810 -10.231 1.00 0.00 H new ATOM 0 HA ARG A 36 12.286 -4.290 -7.617 1.00 0.00 H new ATOM 0 HB2 ARG A 36 11.516 -2.143 -6.699 1.00 0.00 H new ATOM 0 HB3 ARG A 36 12.805 -1.926 -7.866 1.00 0.00 H new ATOM 0 HG2 ARG A 36 11.125 -1.234 -9.584 1.00 0.00 H new ATOM 0 HG3 ARG A 36 9.844 -1.435 -8.405 1.00 0.00 H new ATOM 0 HD2 ARG A 36 10.394 0.903 -8.388 1.00 0.00 H new ATOM 0 HD3 ARG A 36 11.060 0.236 -6.910 1.00 0.00 H new ATOM 0 HE ARG A 36 13.197 0.049 -8.613 1.00 0.00 H new ATOM 0 HH11 ARG A 36 11.036 2.795 -7.988 1.00 0.00 H new ATOM 0 HH12 ARG A 36 12.320 3.983 -8.233 1.00 0.00 H new ATOM 0 HH21 ARG A 36 14.818 1.551 -8.820 1.00 0.00 H new ATOM 0 HH22 ARG A 36 14.464 3.278 -8.704 1.00 0.00 H new ATOM 528 N THR A 37 9.899 -4.507 -6.679 1.00 0.00 N ATOM 529 CA THR A 37 8.534 -4.700 -6.222 1.00 0.00 C ATOM 530 C THR A 37 7.844 -3.332 -6.177 1.00 0.00 C ATOM 531 O THR A 37 8.492 -2.304 -5.976 1.00 0.00 O ATOM 532 CB THR A 37 8.566 -5.415 -4.863 1.00 0.00 C ATOM 533 OG1 THR A 37 9.313 -6.610 -5.031 1.00 0.00 O ATOM 534 CG2 THR A 37 7.151 -5.756 -4.388 1.00 0.00 C ATOM 0 H THR A 37 10.603 -4.628 -5.951 1.00 0.00 H new ATOM 0 HA THR A 37 7.958 -5.332 -6.898 1.00 0.00 H new ATOM 0 HB THR A 37 9.019 -4.767 -4.113 1.00 0.00 H new ATOM 0 HG1 THR A 37 9.355 -7.092 -4.179 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.203 -6.262 -3.424 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.570 -4.839 -4.286 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.671 -6.411 -5.115 1.00 0.00 H new ATOM 542 N GLU A 38 6.527 -3.322 -6.354 1.00 0.00 N ATOM 543 CA GLU A 38 5.708 -2.129 -6.477 1.00 0.00 C ATOM 544 C GLU A 38 4.436 -2.387 -5.673 1.00 0.00 C ATOM 545 O GLU A 38 3.845 -3.470 -5.776 1.00 0.00 O ATOM 546 CB GLU A 38 5.426 -1.884 -7.965 1.00 0.00 C ATOM 547 CG GLU A 38 6.687 -1.462 -8.735 1.00 0.00 C ATOM 548 CD GLU A 38 6.371 -0.813 -10.083 1.00 0.00 C ATOM 549 OE1 GLU A 38 5.892 -1.499 -11.010 1.00 0.00 O ATOM 550 OE2 GLU A 38 6.638 0.403 -10.215 1.00 0.00 O ATOM 0 H GLU A 38 5.982 -4.182 -6.418 1.00 0.00 H new ATOM 0 HA GLU A 38 6.196 -1.234 -6.091 1.00 0.00 H new ATOM 0 HB2 GLU A 38 5.018 -2.792 -8.410 1.00 0.00 H new ATOM 0 HB3 GLU A 38 4.665 -1.110 -8.066 1.00 0.00 H new ATOM 0 HG2 GLU A 38 7.261 -0.763 -8.127 1.00 0.00 H new ATOM 0 HG3 GLU A 38 7.317 -2.336 -8.897 1.00 0.00 H new ATOM 557 N ILE A 39 4.041 -1.414 -4.851 1.00 0.00 N ATOM 558 CA ILE A 39 2.958 -1.505 -3.875 1.00 0.00 C ATOM 559 C ILE A 39 2.045 -0.311 -4.119 1.00 0.00 C ATOM 560 O ILE A 39 2.523 0.824 -4.105 1.00 0.00 O ATOM 561 CB ILE A 39 3.547 -1.505 -2.443 1.00 0.00 C ATOM 562 CG1 ILE A 39 4.249 -2.852 -2.158 1.00 0.00 C ATOM 563 CG2 ILE A 39 2.453 -1.204 -1.404 1.00 0.00 C ATOM 564 CD1 ILE A 39 5.126 -2.820 -0.902 1.00 0.00 C ATOM 0 H ILE A 39 4.490 -0.498 -4.849 1.00 0.00 H new ATOM 0 HA ILE A 39 2.388 -2.428 -3.980 1.00 0.00 H new ATOM 0 HB ILE A 39 4.293 -0.714 -2.367 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.495 -3.631 -2.047 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.864 -3.123 -3.016 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.889 -1.209 -0.405 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.019 -0.225 -1.606 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.675 -1.965 -1.464 1.00 0.00 H new ATOM 0 HD11 ILE A 39 5.590 -3.795 -0.758 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.901 -2.063 -1.019 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.511 -2.579 -0.035 1.00 0.00 H new ATOM 576 N ILE A 40 0.755 -0.557 -4.363 1.00 0.00 N ATOM 577 CA ILE A 40 -0.180 0.458 -4.812 1.00 0.00 C ATOM 578 C ILE A 40 -1.387 0.443 -3.869 1.00 0.00 C ATOM 579 O ILE A 40 -2.293 -0.375 -4.020 1.00 0.00 O ATOM 580 CB ILE A 40 -0.525 0.272 -6.315 1.00 0.00 C ATOM 581 CG1 ILE A 40 0.719 0.164 -7.231 1.00 0.00 C ATOM 582 CG2 ILE A 40 -1.293 1.515 -6.786 1.00 0.00 C ATOM 583 CD1 ILE A 40 1.279 -1.245 -7.451 1.00 0.00 C ATOM 0 H ILE A 40 0.334 -1.479 -4.251 1.00 0.00 H new ATOM 0 HA ILE A 40 0.260 1.454 -4.761 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.092 -0.656 -6.390 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.466 0.587 -8.203 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.510 0.784 -6.809 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.547 1.408 -7.841 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.207 1.621 -6.202 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.671 2.400 -6.651 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.147 -1.193 -8.108 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.574 -1.673 -6.493 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.515 -1.873 -7.909 1.00 0.00 H new ATOM 595 N ILE A 41 -1.386 1.317 -2.860 1.00 0.00 N ATOM 596 CA ILE A 41 -2.510 1.539 -1.956 1.00 0.00 C ATOM 597 C ILE A 41 -3.635 2.198 -2.738 1.00 0.00 C ATOM 598 O ILE A 41 -3.415 3.190 -3.439 1.00 0.00 O ATOM 599 CB ILE A 41 -2.043 2.391 -0.760 1.00 0.00 C ATOM 600 CG1 ILE A 41 -1.122 1.523 0.119 1.00 0.00 C ATOM 601 CG2 ILE A 41 -3.225 2.910 0.070 1.00 0.00 C ATOM 602 CD1 ILE A 41 0.352 1.808 -0.124 1.00 0.00 C ATOM 0 H ILE A 41 -0.580 1.904 -2.646 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.886 0.599 -1.553 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.509 3.264 -1.136 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.355 1.700 1.169 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.323 0.470 -0.079 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.851 3.506 0.903 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.867 3.527 -0.558 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.797 2.066 0.456 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.957 1.170 0.520 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.595 1.605 -1.167 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.562 2.854 0.100 1.00 0.00 H new ATOM 614 N LEU A 42 -4.841 1.676 -2.564 1.00 0.00 N ATOM 615 CA LEU A 42 -6.092 2.234 -3.028 1.00 0.00 C ATOM 616 C LEU A 42 -6.698 2.915 -1.805 1.00 0.00 C ATOM 617 O LEU A 42 -6.997 2.230 -0.822 1.00 0.00 O ATOM 618 CB LEU A 42 -6.987 1.093 -3.545 1.00 0.00 C ATOM 619 CG LEU A 42 -6.371 0.272 -4.697 1.00 0.00 C ATOM 620 CD1 LEU A 42 -7.264 -0.938 -4.991 1.00 0.00 C ATOM 621 CD2 LEU A 42 -6.186 1.109 -5.969 1.00 0.00 C ATOM 0 H LEU A 42 -4.974 0.797 -2.063 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.974 2.943 -3.848 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -7.213 0.421 -2.717 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -7.934 1.515 -3.881 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.381 -0.059 -4.382 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.831 -1.520 -5.805 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.339 -1.560 -4.099 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.258 -0.595 -5.279 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.750 0.489 -6.752 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.154 1.485 -6.301 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.523 1.948 -5.759 1.00 0.00 H new ATOM 633 N ALA A 43 -6.832 4.241 -1.824 1.00 0.00 N ATOM 634 CA ALA A 43 -7.418 5.002 -0.713 1.00 0.00 C ATOM 635 C ALA A 43 -8.195 6.211 -1.245 1.00 0.00 C ATOM 636 O ALA A 43 -8.184 6.450 -2.451 1.00 0.00 O ATOM 637 CB ALA A 43 -6.312 5.422 0.257 1.00 0.00 C ATOM 0 H ALA A 43 -6.538 4.821 -2.610 1.00 0.00 H new ATOM 0 HA ALA A 43 -8.126 4.374 -0.172 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.747 5.987 1.082 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.814 4.534 0.648 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -5.586 6.044 -0.266 1.00 0.00 H new ATOM 643 N THR A 44 -8.884 6.988 -0.404 1.00 0.00 N ATOM 644 CA THR A 44 -9.707 8.092 -0.883 1.00 0.00 C ATOM 645 C THR A 44 -8.991 9.445 -0.741 1.00 0.00 C ATOM 646 O THR A 44 -8.929 10.242 -1.681 1.00 0.00 O ATOM 647 CB THR A 44 -11.089 8.019 -0.205 1.00 0.00 C ATOM 648 OG1 THR A 44 -11.145 8.666 1.047 1.00 0.00 O ATOM 649 CG2 THR A 44 -11.642 6.607 0.016 1.00 0.00 C ATOM 0 H THR A 44 -8.885 6.870 0.609 1.00 0.00 H new ATOM 0 HA THR A 44 -9.873 7.998 -1.956 1.00 0.00 H new ATOM 0 HB THR A 44 -11.706 8.535 -0.941 1.00 0.00 H new ATOM 0 HG1 THR A 44 -12.048 8.582 1.418 1.00 0.00 H new ATOM 0 HG21 THR A 44 -12.617 6.670 0.499 1.00 0.00 H new ATOM 0 HG22 THR A 44 -11.744 6.102 -0.944 1.00 0.00 H new ATOM 0 HG23 THR A 44 -10.958 6.044 0.651 1.00 0.00 H new ATOM 657 N ARG A 45 -8.441 9.722 0.437 1.00 0.00 N ATOM 658 CA ARG A 45 -7.749 10.945 0.833 1.00 0.00 C ATOM 659 C ARG A 45 -6.259 10.793 0.529 1.00 0.00 C ATOM 660 O ARG A 45 -5.432 10.858 1.435 1.00 0.00 O ATOM 661 CB ARG A 45 -7.960 11.175 2.343 1.00 0.00 C ATOM 662 CG ARG A 45 -9.432 11.197 2.796 1.00 0.00 C ATOM 663 CD ARG A 45 -9.469 11.356 4.325 1.00 0.00 C ATOM 664 NE ARG A 45 -10.620 12.147 4.790 1.00 0.00 N ATOM 665 CZ ARG A 45 -10.620 12.956 5.855 1.00 0.00 C ATOM 666 NH1 ARG A 45 -9.579 12.957 6.689 1.00 0.00 N ATOM 667 NH2 ARG A 45 -11.635 13.791 6.052 1.00 0.00 N ATOM 0 H ARG A 45 -8.470 9.045 1.199 1.00 0.00 H new ATOM 0 HA ARG A 45 -8.143 11.798 0.282 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -7.438 10.391 2.892 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -7.496 12.121 2.620 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -9.964 12.019 2.317 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -9.934 10.276 2.499 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -9.502 10.369 4.787 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -8.548 11.834 4.658 1.00 0.00 H new ATOM 0 HE ARG A 45 -11.487 12.072 4.257 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -8.785 12.341 6.514 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -9.577 13.573 7.502 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -12.412 13.814 5.392 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -11.637 14.409 6.864 1.00 0.00 H new ATOM 681 N THR A 46 -5.871 10.606 -0.725 1.00 0.00 N ATOM 682 CA THR A 46 -4.482 10.329 -1.094 1.00 0.00 C ATOM 683 C THR A 46 -3.491 11.398 -0.599 1.00 0.00 C ATOM 684 O THR A 46 -2.345 11.093 -0.273 1.00 0.00 O ATOM 685 CB THR A 46 -4.433 10.160 -2.612 1.00 0.00 C ATOM 686 OG1 THR A 46 -5.173 11.189 -3.243 1.00 0.00 O ATOM 687 CG2 THR A 46 -5.053 8.825 -3.010 1.00 0.00 C ATOM 0 H THR A 46 -6.509 10.641 -1.520 1.00 0.00 H new ATOM 0 HA THR A 46 -4.159 9.414 -0.597 1.00 0.00 H new ATOM 0 HB THR A 46 -3.389 10.201 -2.923 1.00 0.00 H new ATOM 0 HG1 THR A 46 -5.133 11.072 -4.215 1.00 0.00 H new ATOM 0 HG21 THR A 46 -5.013 8.714 -4.094 1.00 0.00 H new ATOM 0 HG22 THR A 46 -4.498 8.012 -2.541 1.00 0.00 H new ATOM 0 HG23 THR A 46 -6.091 8.793 -2.680 1.00 0.00 H new ATOM 695 N GLN A 47 -3.945 12.644 -0.450 1.00 0.00 N ATOM 696 CA GLN A 47 -3.197 13.723 0.187 1.00 0.00 C ATOM 697 C GLN A 47 -2.776 13.411 1.632 1.00 0.00 C ATOM 698 O GLN A 47 -1.671 13.784 2.032 1.00 0.00 O ATOM 699 CB GLN A 47 -4.015 15.024 0.113 1.00 0.00 C ATOM 700 CG GLN A 47 -5.459 14.884 0.626 1.00 0.00 C ATOM 701 CD GLN A 47 -6.190 16.219 0.601 1.00 0.00 C ATOM 702 OE1 GLN A 47 -6.158 16.939 -0.394 1.00 0.00 O ATOM 703 NE2 GLN A 47 -6.873 16.557 1.682 1.00 0.00 N ATOM 0 H GLN A 47 -4.866 12.935 -0.778 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.264 13.840 -0.365 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -3.507 15.794 0.693 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -4.039 15.368 -0.921 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -5.996 14.162 0.011 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -5.449 14.492 1.643 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -6.882 15.939 2.494 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -7.391 17.435 1.704 1.00 0.00 H new ATOM 712 N ASN A 48 -3.625 12.738 2.414 1.00 0.00 N ATOM 713 CA ASN A 48 -3.299 12.275 3.758 1.00 0.00 C ATOM 714 C ASN A 48 -2.224 11.195 3.662 1.00 0.00 C ATOM 715 O ASN A 48 -1.214 11.301 4.351 1.00 0.00 O ATOM 716 CB ASN A 48 -4.540 11.745 4.501 1.00 0.00 C ATOM 717 CG ASN A 48 -5.326 12.840 5.206 1.00 0.00 C ATOM 718 OD1 ASN A 48 -5.803 13.788 4.579 1.00 0.00 O ATOM 719 ND2 ASN A 48 -5.523 12.714 6.506 1.00 0.00 N ATOM 0 H ASN A 48 -4.572 12.498 2.122 1.00 0.00 H new ATOM 0 HA ASN A 48 -2.925 13.120 4.336 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -5.192 11.238 3.790 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.227 11.001 5.234 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -6.078 13.408 7.007 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -5.121 11.923 7.008 1.00 0.00 H new ATOM 726 N VAL A 49 -2.398 10.230 2.753 1.00 0.00 N ATOM 727 CA VAL A 49 -1.495 9.089 2.572 1.00 0.00 C ATOM 728 C VAL A 49 -0.088 9.582 2.212 1.00 0.00 C ATOM 729 O VAL A 49 0.910 9.042 2.687 1.00 0.00 O ATOM 730 CB VAL A 49 -2.058 8.137 1.487 1.00 0.00 C ATOM 731 CG1 VAL A 49 -1.234 6.852 1.337 1.00 0.00 C ATOM 732 CG2 VAL A 49 -3.516 7.740 1.766 1.00 0.00 C ATOM 0 H VAL A 49 -3.188 10.220 2.108 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.424 8.531 3.506 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.001 8.707 0.560 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.676 6.225 0.563 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.211 7.106 1.058 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.228 6.311 2.283 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -3.868 7.072 0.980 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.577 7.231 2.728 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.139 8.634 1.788 1.00 0.00 H new ATOM 742 N LEU A 50 0.006 10.625 1.381 1.00 0.00 N ATOM 743 CA LEU A 50 1.279 11.258 1.061 1.00 0.00 C ATOM 744 C LEU A 50 1.871 11.935 2.296 1.00 0.00 C ATOM 745 O LEU A 50 3.065 11.802 2.576 1.00 0.00 O ATOM 746 CB LEU A 50 1.070 12.287 -0.057 1.00 0.00 C ATOM 747 CG LEU A 50 0.973 11.643 -1.452 1.00 0.00 C ATOM 748 CD1 LEU A 50 0.387 12.652 -2.448 1.00 0.00 C ATOM 749 CD2 LEU A 50 2.357 11.183 -1.928 1.00 0.00 C ATOM 0 H LEU A 50 -0.797 11.049 0.916 1.00 0.00 H new ATOM 0 HA LEU A 50 1.979 10.493 0.725 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.159 12.852 0.141 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.895 12.999 -0.048 1.00 0.00 H new ATOM 0 HG LEU A 50 0.319 10.773 -1.392 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.320 12.193 -3.434 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.608 12.952 -2.119 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.032 13.529 -2.499 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.270 10.730 -2.916 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.028 12.041 -1.980 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.758 10.451 -1.227 1.00 0.00 H new ATOM 761 N GLY A 51 1.027 12.652 3.033 1.00 0.00 N ATOM 762 CA GLY A 51 1.401 13.433 4.190 1.00 0.00 C ATOM 763 C GLY A 51 2.033 14.762 3.805 1.00 0.00 C ATOM 764 O GLY A 51 2.277 15.050 2.624 1.00 0.00 O ATOM 0 H GLY A 51 0.029 12.701 2.826 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.519 13.616 4.803 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.101 12.863 4.801 1.00 0.00 H new ATOM 768 N GLU A 52 2.322 15.565 4.829 1.00 0.00 N ATOM 769 CA GLU A 52 2.882 16.903 4.692 1.00 0.00 C ATOM 770 C GLU A 52 4.172 16.843 3.880 1.00 0.00 C ATOM 771 O GLU A 52 5.136 16.204 4.306 1.00 0.00 O ATOM 772 CB GLU A 52 3.129 17.522 6.074 1.00 0.00 C ATOM 773 CG GLU A 52 3.752 18.921 5.951 1.00 0.00 C ATOM 774 CD GLU A 52 3.767 19.620 7.308 1.00 0.00 C ATOM 775 OE1 GLU A 52 4.656 19.304 8.129 1.00 0.00 O ATOM 776 OE2 GLU A 52 2.897 20.479 7.569 1.00 0.00 O ATOM 0 H GLU A 52 2.168 15.293 5.800 1.00 0.00 H new ATOM 0 HA GLU A 52 2.170 17.537 4.163 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.188 17.587 6.620 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.790 16.876 6.652 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.768 18.840 5.565 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.186 19.516 5.235 1.00 0.00 H new ATOM 783 N LYS A 53 4.198 17.486 2.707 1.00 0.00 N ATOM 784 CA LYS A 53 5.349 17.475 1.800 1.00 0.00 C ATOM 785 C LYS A 53 5.816 16.054 1.451 1.00 0.00 C ATOM 786 O LYS A 53 6.959 15.864 1.038 1.00 0.00 O ATOM 787 CB LYS A 53 6.464 18.376 2.373 1.00 0.00 C ATOM 788 CG LYS A 53 6.103 19.861 2.382 1.00 0.00 C ATOM 789 CD LYS A 53 6.222 20.443 0.970 1.00 0.00 C ATOM 790 CE LYS A 53 4.849 20.829 0.411 1.00 0.00 C ATOM 791 NZ LYS A 53 4.743 20.584 -1.043 1.00 0.00 N ATOM 0 H LYS A 53 3.412 18.034 2.358 1.00 0.00 H new ATOM 0 HA LYS A 53 5.046 17.895 0.841 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.689 18.059 3.391 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.372 18.234 1.787 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.087 19.993 2.753 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.763 20.399 3.062 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.869 21.320 0.989 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.693 19.713 0.312 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.076 20.262 0.930 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.661 21.883 0.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.797 20.861 -1.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.462 21.145 -1.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.896 19.574 -1.237 1.00 0.00 H new ATOM 805 N GLY A 54 4.940 15.052 1.560 1.00 0.00 N ATOM 806 CA GLY A 54 5.277 13.678 1.260 1.00 0.00 C ATOM 807 C GLY A 54 6.050 13.002 2.395 1.00 0.00 C ATOM 808 O GLY A 54 6.799 12.055 2.142 1.00 0.00 O ATOM 0 H GLY A 54 3.974 15.183 1.861 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.363 13.118 1.064 1.00 0.00 H new ATOM 0 HA3 GLY A 54 5.874 13.644 0.348 1.00 0.00 H new ATOM 812 N ARG A 55 5.896 13.455 3.648 1.00 0.00 N ATOM 813 CA ARG A 55 6.529 12.795 4.788 1.00 0.00 C ATOM 814 C ARG A 55 6.062 11.351 4.886 1.00 0.00 C ATOM 815 O ARG A 55 6.891 10.448 4.864 1.00 0.00 O ATOM 816 CB ARG A 55 6.265 13.557 6.100 1.00 0.00 C ATOM 817 CG ARG A 55 7.486 13.517 7.024 1.00 0.00 C ATOM 818 CD ARG A 55 7.214 14.327 8.299 1.00 0.00 C ATOM 819 NE ARG A 55 8.427 14.481 9.119 1.00 0.00 N ATOM 820 CZ ARG A 55 9.408 15.368 8.906 1.00 0.00 C ATOM 821 NH1 ARG A 55 9.334 16.257 7.918 1.00 0.00 N ATOM 822 NH2 ARG A 55 10.496 15.344 9.671 1.00 0.00 N ATOM 0 H ARG A 55 5.339 14.274 3.892 1.00 0.00 H new ATOM 0 HA ARG A 55 7.607 12.799 4.627 1.00 0.00 H new ATOM 0 HB2 ARG A 55 6.010 14.593 5.876 1.00 0.00 H new ATOM 0 HB3 ARG A 55 5.406 13.120 6.610 1.00 0.00 H new ATOM 0 HG2 ARG A 55 7.721 12.485 7.284 1.00 0.00 H new ATOM 0 HG3 ARG A 55 8.356 13.921 6.506 1.00 0.00 H new ATOM 0 HD2 ARG A 55 6.830 15.311 8.029 1.00 0.00 H new ATOM 0 HD3 ARG A 55 6.439 13.833 8.885 1.00 0.00 H new ATOM 0 HE ARG A 55 8.529 13.857 9.920 1.00 0.00 H new ATOM 0 HH11 ARG A 55 8.519 16.272 7.305 1.00 0.00 H new ATOM 0 HH12 ARG A 55 10.093 16.923 7.774 1.00 0.00 H new ATOM 0 HH21 ARG A 55 10.581 14.652 10.416 1.00 0.00 H new ATOM 0 HH22 ARG A 55 11.246 16.017 9.513 1.00 0.00 H new ATOM 836 N ARG A 56 4.751 11.118 5.004 1.00 0.00 N ATOM 837 CA ARG A 56 4.231 9.795 5.331 1.00 0.00 C ATOM 838 C ARG A 56 4.594 8.777 4.257 1.00 0.00 C ATOM 839 O ARG A 56 4.993 7.681 4.629 1.00 0.00 O ATOM 840 CB ARG A 56 2.705 9.833 5.566 1.00 0.00 C ATOM 841 CG ARG A 56 2.290 9.341 6.958 1.00 0.00 C ATOM 842 CD ARG A 56 2.613 10.325 8.094 1.00 0.00 C ATOM 843 NE ARG A 56 2.247 9.754 9.404 1.00 0.00 N ATOM 844 CZ ARG A 56 1.050 9.805 10.009 1.00 0.00 C ATOM 845 NH1 ARG A 56 0.058 10.537 9.506 1.00 0.00 N ATOM 846 NH2 ARG A 56 0.832 9.122 11.129 1.00 0.00 N ATOM 0 H ARG A 56 4.033 11.832 4.877 1.00 0.00 H new ATOM 0 HA ARG A 56 4.702 9.479 6.262 1.00 0.00 H new ATOM 0 HB2 ARG A 56 2.349 10.854 5.429 1.00 0.00 H new ATOM 0 HB3 ARG A 56 2.213 9.220 4.811 1.00 0.00 H new ATOM 0 HG2 ARG A 56 1.218 9.143 6.957 1.00 0.00 H new ATOM 0 HG3 ARG A 56 2.789 8.393 7.160 1.00 0.00 H new ATOM 0 HD2 ARG A 56 3.676 10.565 8.082 1.00 0.00 H new ATOM 0 HD3 ARG A 56 2.074 11.259 7.936 1.00 0.00 H new ATOM 0 HE ARG A 56 2.987 9.265 9.907 1.00 0.00 H new ATOM 0 HH11 ARG A 56 0.202 11.070 8.648 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -0.846 10.565 9.978 1.00 0.00 H new ATOM 0 HH21 ARG A 56 1.577 8.555 11.534 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -0.080 9.165 11.583 1.00 0.00 H new ATOM 860 N ILE A 57 4.519 9.111 2.963 1.00 0.00 N ATOM 861 CA ILE A 57 4.844 8.143 1.910 1.00 0.00 C ATOM 862 C ILE A 57 6.278 7.610 2.066 1.00 0.00 C ATOM 863 O ILE A 57 6.528 6.407 1.945 1.00 0.00 O ATOM 864 CB ILE A 57 4.548 8.727 0.512 1.00 0.00 C ATOM 865 CG1 ILE A 57 4.421 7.630 -0.564 1.00 0.00 C ATOM 866 CG2 ILE A 57 5.529 9.817 0.052 1.00 0.00 C ATOM 867 CD1 ILE A 57 2.964 7.212 -0.782 1.00 0.00 C ATOM 0 H ILE A 57 4.240 10.031 2.623 1.00 0.00 H new ATOM 0 HA ILE A 57 4.193 7.276 2.018 1.00 0.00 H new ATOM 0 HB ILE A 57 3.582 9.219 0.630 1.00 0.00 H new ATOM 0 HG12 ILE A 57 4.839 7.992 -1.503 1.00 0.00 H new ATOM 0 HG13 ILE A 57 5.008 6.761 -0.268 1.00 0.00 H new ATOM 0 HG21 ILE A 57 5.244 10.168 -0.940 1.00 0.00 H new ATOM 0 HG22 ILE A 57 5.502 10.650 0.754 1.00 0.00 H new ATOM 0 HG23 ILE A 57 6.538 9.406 0.015 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.918 6.438 -1.548 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.553 6.825 0.150 1.00 0.00 H new ATOM 0 HD13 ILE A 57 2.382 8.075 -1.104 1.00 0.00 H new ATOM 879 N ARG A 58 7.219 8.511 2.367 1.00 0.00 N ATOM 880 CA ARG A 58 8.614 8.185 2.593 1.00 0.00 C ATOM 881 C ARG A 58 8.786 7.426 3.898 1.00 0.00 C ATOM 882 O ARG A 58 9.552 6.464 3.916 1.00 0.00 O ATOM 883 CB ARG A 58 9.428 9.482 2.617 1.00 0.00 C ATOM 884 CG ARG A 58 9.898 9.875 1.218 1.00 0.00 C ATOM 885 CD ARG A 58 10.631 11.212 1.286 1.00 0.00 C ATOM 886 NE ARG A 58 11.282 11.514 0.008 1.00 0.00 N ATOM 887 CZ ARG A 58 11.351 12.705 -0.595 1.00 0.00 C ATOM 888 NH1 ARG A 58 10.871 13.815 -0.039 1.00 0.00 N ATOM 889 NH2 ARG A 58 11.934 12.758 -1.777 1.00 0.00 N ATOM 0 H ARG A 58 7.018 9.507 2.460 1.00 0.00 H new ATOM 0 HA ARG A 58 8.970 7.543 1.787 1.00 0.00 H new ATOM 0 HB2 ARG A 58 8.822 10.285 3.037 1.00 0.00 H new ATOM 0 HB3 ARG A 58 10.292 9.359 3.271 1.00 0.00 H new ATOM 0 HG2 ARG A 58 10.557 9.106 0.815 1.00 0.00 H new ATOM 0 HG3 ARG A 58 9.045 9.949 0.543 1.00 0.00 H new ATOM 0 HD2 ARG A 58 9.927 12.005 1.537 1.00 0.00 H new ATOM 0 HD3 ARG A 58 11.376 11.183 2.081 1.00 0.00 H new ATOM 0 HE ARG A 58 11.730 10.733 -0.472 1.00 0.00 H new ATOM 0 HH11 ARG A 58 10.431 13.776 0.880 1.00 0.00 H new ATOM 0 HH12 ARG A 58 10.943 14.705 -0.532 1.00 0.00 H new ATOM 0 HH21 ARG A 58 12.312 11.909 -2.198 1.00 0.00 H new ATOM 0 HH22 ARG A 58 12.007 13.648 -2.270 1.00 0.00 H new ATOM 903 N GLU A 59 8.092 7.840 4.963 1.00 0.00 N ATOM 904 CA GLU A 59 8.153 7.217 6.266 1.00 0.00 C ATOM 905 C GLU A 59 7.772 5.754 6.112 1.00 0.00 C ATOM 906 O GLU A 59 8.560 4.866 6.440 1.00 0.00 O ATOM 907 CB GLU A 59 7.321 8.026 7.291 1.00 0.00 C ATOM 908 CG GLU A 59 6.052 7.407 7.904 1.00 0.00 C ATOM 909 CD GLU A 59 5.491 8.178 9.116 1.00 0.00 C ATOM 910 OE1 GLU A 59 6.212 9.024 9.700 1.00 0.00 O ATOM 911 OE2 GLU A 59 4.332 7.916 9.523 1.00 0.00 O ATOM 0 H GLU A 59 7.459 8.639 4.930 1.00 0.00 H new ATOM 0 HA GLU A 59 9.161 7.228 6.680 1.00 0.00 H new ATOM 0 HB2 GLU A 59 7.985 8.288 8.114 1.00 0.00 H new ATOM 0 HB3 GLU A 59 7.028 8.958 6.808 1.00 0.00 H new ATOM 0 HG2 GLU A 59 5.281 7.352 7.135 1.00 0.00 H new ATOM 0 HG3 GLU A 59 6.272 6.384 8.209 1.00 0.00 H new ATOM 918 N LEU A 60 6.586 5.515 5.557 1.00 0.00 N ATOM 919 CA LEU A 60 6.010 4.191 5.359 1.00 0.00 C ATOM 920 C LEU A 60 6.847 3.322 4.430 1.00 0.00 C ATOM 921 O LEU A 60 6.787 2.108 4.582 1.00 0.00 O ATOM 922 CB LEU A 60 4.578 4.279 4.837 1.00 0.00 C ATOM 923 CG LEU A 60 3.496 4.528 5.904 1.00 0.00 C ATOM 924 CD1 LEU A 60 2.167 4.889 5.239 1.00 0.00 C ATOM 925 CD2 LEU A 60 3.239 3.269 6.737 1.00 0.00 C ATOM 0 H LEU A 60 5.981 6.265 5.222 1.00 0.00 H new ATOM 0 HA LEU A 60 6.002 3.716 6.340 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.527 5.080 4.100 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.342 3.351 4.316 1.00 0.00 H new ATOM 0 HG LEU A 60 3.858 5.338 6.537 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.412 5.062 6.006 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.292 5.793 4.642 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.848 4.070 4.594 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.470 3.476 7.482 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.904 2.463 6.084 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.159 2.971 7.239 1.00 0.00 H new ATOM 937 N THR A 61 7.663 3.883 3.535 1.00 0.00 N ATOM 938 CA THR A 61 8.598 3.074 2.757 1.00 0.00 C ATOM 939 C THR A 61 9.576 2.369 3.699 1.00 0.00 C ATOM 940 O THR A 61 9.726 1.153 3.603 1.00 0.00 O ATOM 941 CB THR A 61 9.290 3.930 1.690 1.00 0.00 C ATOM 942 OG1 THR A 61 8.317 4.490 0.826 1.00 0.00 O ATOM 943 CG2 THR A 61 10.289 3.117 0.858 1.00 0.00 C ATOM 0 H THR A 61 7.694 4.882 3.334 1.00 0.00 H new ATOM 0 HA THR A 61 8.060 2.296 2.217 1.00 0.00 H new ATOM 0 HB THR A 61 9.841 4.715 2.207 1.00 0.00 H new ATOM 0 HG1 THR A 61 7.776 5.141 1.321 1.00 0.00 H new ATOM 0 HG21 THR A 61 10.755 3.764 0.115 1.00 0.00 H new ATOM 0 HG22 THR A 61 11.057 2.704 1.513 1.00 0.00 H new ATOM 0 HG23 THR A 61 9.766 2.304 0.354 1.00 0.00 H new ATOM 951 N ALA A 62 10.182 3.096 4.643 1.00 0.00 N ATOM 952 CA ALA A 62 11.048 2.501 5.653 1.00 0.00 C ATOM 953 C ALA A 62 10.261 1.549 6.559 1.00 0.00 C ATOM 954 O ALA A 62 10.760 0.475 6.894 1.00 0.00 O ATOM 955 CB ALA A 62 11.687 3.609 6.488 1.00 0.00 C ATOM 0 H ALA A 62 10.084 4.108 4.724 1.00 0.00 H new ATOM 0 HA ALA A 62 11.825 1.924 5.152 1.00 0.00 H new ATOM 0 HB1 ALA A 62 12.335 3.167 7.244 1.00 0.00 H new ATOM 0 HB2 ALA A 62 12.276 4.259 5.841 1.00 0.00 H new ATOM 0 HB3 ALA A 62 10.907 4.193 6.976 1.00 0.00 H new ATOM 961 N VAL A 63 9.028 1.915 6.940 1.00 0.00 N ATOM 962 CA VAL A 63 8.177 1.041 7.746 1.00 0.00 C ATOM 963 C VAL A 63 8.019 -0.303 7.022 1.00 0.00 C ATOM 964 O VAL A 63 8.273 -1.344 7.615 1.00 0.00 O ATOM 965 CB VAL A 63 6.796 1.668 8.035 1.00 0.00 C ATOM 966 CG1 VAL A 63 5.985 0.781 8.982 1.00 0.00 C ATOM 967 CG2 VAL A 63 6.812 3.064 8.668 1.00 0.00 C ATOM 0 H VAL A 63 8.602 2.811 6.701 1.00 0.00 H new ATOM 0 HA VAL A 63 8.658 0.893 8.713 1.00 0.00 H new ATOM 0 HB VAL A 63 6.355 1.756 7.042 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.016 1.242 9.172 1.00 0.00 H new ATOM 0 HG12 VAL A 63 5.838 -0.198 8.527 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.523 0.666 9.923 1.00 0.00 H new ATOM 0 HG21 VAL A 63 5.788 3.404 8.826 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.332 3.024 9.625 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.327 3.759 8.004 1.00 0.00 H new ATOM 977 N VAL A 64 7.601 -0.295 5.756 1.00 0.00 N ATOM 978 CA VAL A 64 7.363 -1.482 4.948 1.00 0.00 C ATOM 979 C VAL A 64 8.663 -2.251 4.745 1.00 0.00 C ATOM 980 O VAL A 64 8.665 -3.471 4.891 1.00 0.00 O ATOM 981 CB VAL A 64 6.692 -1.060 3.624 1.00 0.00 C ATOM 982 CG1 VAL A 64 6.766 -2.106 2.505 1.00 0.00 C ATOM 983 CG2 VAL A 64 5.218 -0.753 3.906 1.00 0.00 C ATOM 0 H VAL A 64 7.413 0.571 5.251 1.00 0.00 H new ATOM 0 HA VAL A 64 6.683 -2.165 5.458 1.00 0.00 H new ATOM 0 HB VAL A 64 7.243 -0.191 3.265 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.269 -1.722 1.614 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.810 -2.319 2.274 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.272 -3.022 2.830 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.726 -0.452 2.981 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.731 -1.643 4.304 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.147 0.055 4.634 1.00 0.00 H new ATOM 993 N GLN A 65 9.767 -1.567 4.449 1.00 0.00 N ATOM 994 CA GLN A 65 11.075 -2.183 4.310 1.00 0.00 C ATOM 995 C GLN A 65 11.428 -2.989 5.568 1.00 0.00 C ATOM 996 O GLN A 65 11.951 -4.094 5.445 1.00 0.00 O ATOM 997 CB GLN A 65 12.102 -1.089 3.976 1.00 0.00 C ATOM 998 CG GLN A 65 12.220 -0.861 2.466 1.00 0.00 C ATOM 999 CD GLN A 65 13.201 0.255 2.097 1.00 0.00 C ATOM 1000 OE1 GLN A 65 13.665 1.046 2.924 1.00 0.00 O ATOM 1001 NE2 GLN A 65 13.538 0.346 0.821 1.00 0.00 N ATOM 0 H GLN A 65 9.773 -0.558 4.298 1.00 0.00 H new ATOM 0 HA GLN A 65 11.078 -2.901 3.490 1.00 0.00 H new ATOM 0 HB2 GLN A 65 11.812 -0.158 4.463 1.00 0.00 H new ATOM 0 HB3 GLN A 65 13.075 -1.369 4.378 1.00 0.00 H new ATOM 0 HG2 GLN A 65 12.539 -1.788 1.989 1.00 0.00 H new ATOM 0 HG3 GLN A 65 11.236 -0.618 2.064 1.00 0.00 H new ATOM 0 HE21 GLN A 65 13.151 -0.311 0.143 1.00 0.00 H new ATOM 0 HE22 GLN A 65 14.185 1.073 0.515 1.00 0.00 H new ATOM 1010 N LYS A 66 11.063 -2.515 6.767 1.00 0.00 N ATOM 1011 CA LYS A 66 11.219 -3.263 8.006 1.00 0.00 C ATOM 1012 C LYS A 66 10.174 -4.380 8.081 1.00 0.00 C ATOM 1013 O LYS A 66 10.517 -5.553 8.186 1.00 0.00 O ATOM 1014 CB LYS A 66 11.196 -2.254 9.171 1.00 0.00 C ATOM 1015 CG LYS A 66 10.803 -2.853 10.524 1.00 0.00 C ATOM 1016 CD LYS A 66 11.158 -1.906 11.679 1.00 0.00 C ATOM 1017 CE LYS A 66 10.479 -2.387 12.967 1.00 0.00 C ATOM 1018 NZ LYS A 66 11.147 -1.887 14.185 1.00 0.00 N ATOM 0 H LYS A 66 10.648 -1.592 6.897 1.00 0.00 H new ATOM 0 HA LYS A 66 12.175 -3.785 8.061 1.00 0.00 H new ATOM 0 HB2 LYS A 66 12.183 -1.801 9.262 1.00 0.00 H new ATOM 0 HB3 LYS A 66 10.499 -1.453 8.927 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.733 -3.059 10.536 1.00 0.00 H new ATOM 0 HG3 LYS A 66 11.312 -3.807 10.663 1.00 0.00 H new ATOM 0 HD2 LYS A 66 12.239 -1.873 11.816 1.00 0.00 H new ATOM 0 HD3 LYS A 66 10.836 -0.892 11.443 1.00 0.00 H new ATOM 0 HE2 LYS A 66 9.439 -2.061 12.968 1.00 0.00 H new ATOM 0 HE3 LYS A 66 10.471 -3.477 12.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 10.648 -2.242 15.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 12.132 -2.219 14.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 11.132 -0.847 14.187 1.00 0.00 H new ATOM 1032 N ARG A 67 8.888 -4.039 8.016 1.00 0.00 N ATOM 1033 CA ARG A 67 7.765 -4.947 8.259 1.00 0.00 C ATOM 1034 C ARG A 67 7.790 -6.167 7.332 1.00 0.00 C ATOM 1035 O ARG A 67 7.317 -7.236 7.715 1.00 0.00 O ATOM 1036 CB ARG A 67 6.461 -4.138 8.106 1.00 0.00 C ATOM 1037 CG ARG A 67 5.306 -4.588 9.014 1.00 0.00 C ATOM 1038 CD ARG A 67 4.521 -5.798 8.480 1.00 0.00 C ATOM 1039 NE ARG A 67 4.340 -6.839 9.501 1.00 0.00 N ATOM 1040 CZ ARG A 67 3.294 -7.024 10.313 1.00 0.00 C ATOM 1041 NH1 ARG A 67 2.244 -6.207 10.303 1.00 0.00 N ATOM 1042 NH2 ARG A 67 3.322 -8.033 11.170 1.00 0.00 N ATOM 0 H ARG A 67 8.588 -3.092 7.785 1.00 0.00 H new ATOM 0 HA ARG A 67 7.837 -5.351 9.269 1.00 0.00 H new ATOM 0 HB2 ARG A 67 6.676 -3.089 8.310 1.00 0.00 H new ATOM 0 HB3 ARG A 67 6.133 -4.200 7.068 1.00 0.00 H new ATOM 0 HG2 ARG A 67 5.706 -4.834 9.998 1.00 0.00 H new ATOM 0 HG3 ARG A 67 4.618 -3.753 9.149 1.00 0.00 H new ATOM 0 HD2 ARG A 67 3.545 -5.467 8.124 1.00 0.00 H new ATOM 0 HD3 ARG A 67 5.046 -6.220 7.623 1.00 0.00 H new ATOM 0 HE ARG A 67 5.108 -7.503 9.603 1.00 0.00 H new ATOM 0 HH11 ARG A 67 2.222 -5.413 9.663 1.00 0.00 H new ATOM 0 HH12 ARG A 67 1.461 -6.375 10.935 1.00 0.00 H new ATOM 0 HH21 ARG A 67 4.132 -8.652 11.202 1.00 0.00 H new ATOM 0 HH22 ARG A 67 2.534 -8.191 11.798 1.00 0.00 H new ATOM 1056 N PHE A 68 8.331 -6.009 6.125 1.00 0.00 N ATOM 1057 CA PHE A 68 8.294 -6.989 5.049 1.00 0.00 C ATOM 1058 C PHE A 68 9.702 -7.387 4.594 1.00 0.00 C ATOM 1059 O PHE A 68 9.832 -8.201 3.682 1.00 0.00 O ATOM 1060 CB PHE A 68 7.426 -6.419 3.915 1.00 0.00 C ATOM 1061 CG PHE A 68 5.982 -6.240 4.317 1.00 0.00 C ATOM 1062 CD1 PHE A 68 5.125 -7.343 4.226 1.00 0.00 C ATOM 1063 CD2 PHE A 68 5.499 -5.020 4.823 1.00 0.00 C ATOM 1064 CE1 PHE A 68 3.793 -7.236 4.632 1.00 0.00 C ATOM 1065 CE2 PHE A 68 4.169 -4.917 5.268 1.00 0.00 C ATOM 1066 CZ PHE A 68 3.321 -6.036 5.191 1.00 0.00 C ATOM 0 H PHE A 68 8.827 -5.157 5.863 1.00 0.00 H new ATOM 0 HA PHE A 68 7.844 -7.918 5.399 1.00 0.00 H new ATOM 0 HB2 PHE A 68 7.833 -5.458 3.600 1.00 0.00 H new ATOM 0 HB3 PHE A 68 7.479 -7.085 3.054 1.00 0.00 H new ATOM 0 HD1 PHE A 68 5.496 -8.281 3.840 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.151 -4.160 4.870 1.00 0.00 H new ATOM 0 HE1 PHE A 68 3.125 -8.077 4.516 1.00 0.00 H new ATOM 0 HE2 PHE A 68 3.801 -3.983 5.667 1.00 0.00 H new ATOM 0 HZ PHE A 68 2.308 -5.973 5.561 1.00 0.00 H new ATOM 1076 N GLY A 69 10.761 -6.863 5.224 1.00 0.00 N ATOM 1077 CA GLY A 69 12.141 -7.268 4.968 1.00 0.00 C ATOM 1078 C GLY A 69 12.623 -6.985 3.542 1.00 0.00 C ATOM 1079 O GLY A 69 13.534 -7.668 3.058 1.00 0.00 O ATOM 0 H GLY A 69 10.678 -6.136 5.935 1.00 0.00 H new ATOM 0 HA2 GLY A 69 12.796 -6.752 5.670 1.00 0.00 H new ATOM 0 HA3 GLY A 69 12.238 -8.335 5.167 1.00 0.00 H new ATOM 1083 N PHE A 70 11.987 -6.033 2.857 1.00 0.00 N ATOM 1084 CA PHE A 70 12.234 -5.765 1.448 1.00 0.00 C ATOM 1085 C PHE A 70 13.670 -5.288 1.217 1.00 0.00 C ATOM 1086 O PHE A 70 14.184 -4.516 2.028 1.00 0.00 O ATOM 1087 CB PHE A 70 11.278 -4.681 0.933 1.00 0.00 C ATOM 1088 CG PHE A 70 9.929 -5.187 0.482 1.00 0.00 C ATOM 1089 CD1 PHE A 70 9.837 -6.021 -0.644 1.00 0.00 C ATOM 1090 CD2 PHE A 70 8.761 -4.796 1.153 1.00 0.00 C ATOM 1091 CE1 PHE A 70 8.592 -6.471 -1.094 1.00 0.00 C ATOM 1092 CE2 PHE A 70 7.505 -5.224 0.687 1.00 0.00 C ATOM 1093 CZ PHE A 70 7.423 -6.060 -0.441 1.00 0.00 C ATOM 0 H PHE A 70 11.282 -5.424 3.272 1.00 0.00 H new ATOM 0 HA PHE A 70 12.071 -6.698 0.909 1.00 0.00 H new ATOM 0 HB2 PHE A 70 11.128 -3.944 1.722 1.00 0.00 H new ATOM 0 HB3 PHE A 70 11.753 -4.164 0.100 1.00 0.00 H new ATOM 0 HD1 PHE A 70 10.735 -6.317 -1.166 1.00 0.00 H new ATOM 0 HD2 PHE A 70 8.826 -4.166 2.028 1.00 0.00 H new ATOM 0 HE1 PHE A 70 8.532 -7.135 -1.944 1.00 0.00 H new ATOM 0 HE2 PHE A 70 6.605 -4.911 1.195 1.00 0.00 H new ATOM 0 HZ PHE A 70 6.459 -6.385 -0.804 1.00 0.00 H new ATOM 1103 N PRO A 71 14.277 -5.640 0.070 1.00 0.00 N ATOM 1104 CA PRO A 71 15.517 -5.034 -0.374 1.00 0.00 C ATOM 1105 C PRO A 71 15.332 -3.534 -0.597 1.00 0.00 C ATOM 1106 O PRO A 71 14.434 -3.098 -1.326 1.00 0.00 O ATOM 1107 CB PRO A 71 15.909 -5.760 -1.665 1.00 0.00 C ATOM 1108 CG PRO A 71 14.574 -6.289 -2.188 1.00 0.00 C ATOM 1109 CD PRO A 71 13.797 -6.590 -0.920 1.00 0.00 C ATOM 0 HA PRO A 71 16.305 -5.132 0.372 1.00 0.00 H new ATOM 0 HB2 PRO A 71 16.382 -5.085 -2.379 1.00 0.00 H new ATOM 0 HB3 PRO A 71 16.615 -6.568 -1.474 1.00 0.00 H new ATOM 0 HG2 PRO A 71 14.064 -5.551 -2.807 1.00 0.00 H new ATOM 0 HG3 PRO A 71 14.707 -7.181 -2.800 1.00 0.00 H new ATOM 0 HD2 PRO A 71 12.725 -6.479 -1.082 1.00 0.00 H new ATOM 0 HD3 PRO A 71 13.965 -7.616 -0.592 1.00 0.00 H new ATOM 1117 N GLU A 72 16.229 -2.747 -0.007 1.00 0.00 N ATOM 1118 CA GLU A 72 16.395 -1.353 -0.374 1.00 0.00 C ATOM 1119 C GLU A 72 16.748 -1.267 -1.865 1.00 0.00 C ATOM 1120 O GLU A 72 17.458 -2.124 -2.398 1.00 0.00 O ATOM 1121 CB GLU A 72 17.469 -0.688 0.503 1.00 0.00 C ATOM 1122 CG GLU A 72 16.918 -0.041 1.789 1.00 0.00 C ATOM 1123 CD GLU A 72 17.988 0.776 2.529 1.00 0.00 C ATOM 1124 OE1 GLU A 72 18.773 1.476 1.845 1.00 0.00 O ATOM 1125 OE2 GLU A 72 18.038 0.804 3.780 1.00 0.00 O ATOM 0 H GLU A 72 16.855 -3.061 0.734 1.00 0.00 H new ATOM 0 HA GLU A 72 15.464 -0.813 -0.204 1.00 0.00 H new ATOM 0 HB2 GLU A 72 18.214 -1.435 0.775 1.00 0.00 H new ATOM 0 HB3 GLU A 72 17.981 0.074 -0.084 1.00 0.00 H new ATOM 0 HG2 GLU A 72 16.078 0.606 1.537 1.00 0.00 H new ATOM 0 HG3 GLU A 72 16.535 -0.818 2.450 1.00 0.00 H new ATOM 1132 N GLY A 73 16.239 -0.240 -2.546 1.00 0.00 N ATOM 1133 CA GLY A 73 16.414 -0.042 -3.979 1.00 0.00 C ATOM 1134 C GLY A 73 15.518 -0.937 -4.843 1.00 0.00 C ATOM 1135 O GLY A 73 15.551 -0.807 -6.068 1.00 0.00 O ATOM 0 H GLY A 73 15.682 0.491 -2.104 1.00 0.00 H new ATOM 0 HA2 GLY A 73 16.209 1.001 -4.220 1.00 0.00 H new ATOM 0 HA3 GLY A 73 17.456 -0.230 -4.237 1.00 0.00 H new ATOM 1139 N SER A 74 14.723 -1.830 -4.248 1.00 0.00 N ATOM 1140 CA SER A 74 13.896 -2.801 -4.945 1.00 0.00 C ATOM 1141 C SER A 74 12.484 -2.925 -4.354 1.00 0.00 C ATOM 1142 O SER A 74 11.791 -3.900 -4.648 1.00 0.00 O ATOM 1143 CB SER A 74 14.656 -4.127 -5.016 1.00 0.00 C ATOM 1144 OG SER A 74 15.608 -4.072 -6.063 1.00 0.00 O ATOM 0 H SER A 74 14.639 -1.894 -3.233 1.00 0.00 H new ATOM 0 HA SER A 74 13.714 -2.454 -5.962 1.00 0.00 H new ATOM 0 HB2 SER A 74 15.155 -4.323 -4.067 1.00 0.00 H new ATOM 0 HB3 SER A 74 13.960 -4.948 -5.186 1.00 0.00 H new ATOM 0 HG SER A 74 16.096 -4.921 -6.107 1.00 0.00 H new ATOM 1150 N VAL A 75 12.005 -1.915 -3.626 1.00 0.00 N ATOM 1151 CA VAL A 75 10.585 -1.743 -3.324 1.00 0.00 C ATOM 1152 C VAL A 75 10.191 -0.284 -3.615 1.00 0.00 C ATOM 1153 O VAL A 75 10.952 0.630 -3.280 1.00 0.00 O ATOM 1154 CB VAL A 75 10.302 -2.245 -1.884 1.00 0.00 C ATOM 1155 CG1 VAL A 75 11.017 -1.455 -0.769 1.00 0.00 C ATOM 1156 CG2 VAL A 75 8.800 -2.289 -1.585 1.00 0.00 C ATOM 0 H VAL A 75 12.598 -1.188 -3.226 1.00 0.00 H new ATOM 0 HA VAL A 75 9.945 -2.351 -3.964 1.00 0.00 H new ATOM 0 HB VAL A 75 10.719 -3.252 -1.871 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.758 -1.879 0.201 1.00 0.00 H new ATOM 0 HG12 VAL A 75 12.096 -1.515 -0.915 1.00 0.00 H new ATOM 0 HG13 VAL A 75 10.703 -0.412 -0.804 1.00 0.00 H new ATOM 0 HG21 VAL A 75 8.642 -2.646 -0.567 1.00 0.00 H new ATOM 0 HG22 VAL A 75 8.379 -1.289 -1.689 1.00 0.00 H new ATOM 0 HG23 VAL A 75 8.309 -2.964 -2.286 1.00 0.00 H new ATOM 1166 N GLU A 76 9.019 -0.049 -4.214 1.00 0.00 N ATOM 1167 CA GLU A 76 8.385 1.269 -4.279 1.00 0.00 C ATOM 1168 C GLU A 76 6.958 1.204 -3.745 1.00 0.00 C ATOM 1169 O GLU A 76 6.304 0.160 -3.789 1.00 0.00 O ATOM 1170 CB GLU A 76 8.362 1.851 -5.708 1.00 0.00 C ATOM 1171 CG GLU A 76 9.319 3.048 -5.874 1.00 0.00 C ATOM 1172 CD GLU A 76 8.906 4.309 -5.096 1.00 0.00 C ATOM 1173 OE1 GLU A 76 8.571 4.236 -3.890 1.00 0.00 O ATOM 1174 OE2 GLU A 76 8.979 5.428 -5.645 1.00 0.00 O ATOM 0 H GLU A 76 8.477 -0.781 -4.674 1.00 0.00 H new ATOM 0 HA GLU A 76 8.990 1.930 -3.658 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.635 1.071 -6.419 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.347 2.165 -5.953 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.316 2.747 -5.551 1.00 0.00 H new ATOM 0 HG3 GLU A 76 9.389 3.297 -6.933 1.00 0.00 H new ATOM 1181 N LEU A 77 6.487 2.358 -3.275 1.00 0.00 N ATOM 1182 CA LEU A 77 5.261 2.570 -2.530 1.00 0.00 C ATOM 1183 C LEU A 77 4.543 3.764 -3.155 1.00 0.00 C ATOM 1184 O LEU A 77 5.043 4.895 -3.095 1.00 0.00 O ATOM 1185 CB LEU A 77 5.607 2.872 -1.062 1.00 0.00 C ATOM 1186 CG LEU A 77 5.642 1.647 -0.132 1.00 0.00 C ATOM 1187 CD1 LEU A 77 6.942 0.855 -0.271 1.00 0.00 C ATOM 1188 CD2 LEU A 77 5.489 2.143 1.307 1.00 0.00 C ATOM 0 H LEU A 77 6.995 3.230 -3.419 1.00 0.00 H new ATOM 0 HA LEU A 77 4.624 1.686 -2.563 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.580 3.362 -1.028 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.878 3.583 -0.673 1.00 0.00 H new ATOM 0 HG LEU A 77 4.829 0.974 -0.406 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.921 -0.000 0.405 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.046 0.504 -1.298 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.787 1.496 -0.019 1.00 0.00 H new ATOM 0 HD21 LEU A 77 5.510 1.293 1.989 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.308 2.822 1.547 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.540 2.668 1.412 1.00 0.00 H new ATOM 1200 N TYR A 78 3.376 3.521 -3.752 1.00 0.00 N ATOM 1201 CA TYR A 78 2.631 4.492 -4.533 1.00 0.00 C ATOM 1202 C TYR A 78 1.383 4.952 -3.770 1.00 0.00 C ATOM 1203 O TYR A 78 1.141 4.467 -2.658 1.00 0.00 O ATOM 1204 CB TYR A 78 2.366 3.816 -5.878 1.00 0.00 C ATOM 1205 CG TYR A 78 3.661 3.488 -6.617 1.00 0.00 C ATOM 1206 CD1 TYR A 78 4.449 4.542 -7.114 1.00 0.00 C ATOM 1207 CD2 TYR A 78 4.101 2.158 -6.811 1.00 0.00 C ATOM 1208 CE1 TYR A 78 5.580 4.279 -7.902 1.00 0.00 C ATOM 1209 CE2 TYR A 78 5.216 1.899 -7.618 1.00 0.00 C ATOM 1210 CZ TYR A 78 5.934 2.953 -8.210 1.00 0.00 C ATOM 1211 OH TYR A 78 6.963 2.695 -9.056 1.00 0.00 O ATOM 0 H TYR A 78 2.914 2.613 -3.700 1.00 0.00 H new ATOM 0 HA TYR A 78 3.174 5.420 -4.711 1.00 0.00 H new ATOM 0 HB2 TYR A 78 1.798 2.900 -5.718 1.00 0.00 H new ATOM 0 HB3 TYR A 78 1.750 4.469 -6.497 1.00 0.00 H new ATOM 0 HD1 TYR A 78 4.181 5.563 -6.887 1.00 0.00 H new ATOM 0 HD2 TYR A 78 3.577 1.342 -6.337 1.00 0.00 H new ATOM 0 HE1 TYR A 78 6.180 5.097 -8.273 1.00 0.00 H new ATOM 0 HE2 TYR A 78 5.528 0.879 -7.787 1.00 0.00 H new ATOM 0 HH TYR A 78 6.774 1.877 -9.562 1.00 0.00 H new ATOM 1221 N ALA A 79 0.616 5.907 -4.312 1.00 0.00 N ATOM 1222 CA ALA A 79 -0.669 6.299 -3.738 1.00 0.00 C ATOM 1223 C ALA A 79 -1.671 6.572 -4.860 1.00 0.00 C ATOM 1224 O ALA A 79 -1.510 7.535 -5.610 1.00 0.00 O ATOM 1225 CB ALA A 79 -0.502 7.500 -2.802 1.00 0.00 C ATOM 0 H ALA A 79 0.870 6.424 -5.154 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.061 5.482 -3.131 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.471 7.775 -2.386 1.00 0.00 H new ATOM 0 HB2 ALA A 79 0.179 7.238 -1.992 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -0.095 8.343 -3.361 1.00 0.00 H new ATOM 1231 N GLU A 80 -2.723 5.757 -4.947 1.00 0.00 N ATOM 1232 CA GLU A 80 -3.800 5.822 -5.918 1.00 0.00 C ATOM 1233 C GLU A 80 -5.101 6.150 -5.213 1.00 0.00 C ATOM 1234 O GLU A 80 -5.371 5.666 -4.109 1.00 0.00 O ATOM 1235 CB GLU A 80 -3.952 4.499 -6.683 1.00 0.00 C ATOM 1236 CG GLU A 80 -3.134 4.559 -7.980 1.00 0.00 C ATOM 1237 CD GLU A 80 -3.532 3.518 -9.024 1.00 0.00 C ATOM 1238 OE1 GLU A 80 -4.734 3.212 -9.183 1.00 0.00 O ATOM 1239 OE2 GLU A 80 -2.636 3.099 -9.794 1.00 0.00 O ATOM 0 H GLU A 80 -2.847 4.984 -4.293 1.00 0.00 H new ATOM 0 HA GLU A 80 -3.556 6.603 -6.638 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -3.612 3.668 -6.065 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -5.002 4.318 -6.911 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -3.239 5.552 -8.416 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -2.080 4.428 -7.737 1.00 0.00 H new ATOM 1246 N LYS A 81 -5.920 6.977 -5.859 1.00 0.00 N ATOM 1247 CA LYS A 81 -7.232 7.318 -5.372 1.00 0.00 C ATOM 1248 C LYS A 81 -8.235 6.292 -5.909 1.00 0.00 C ATOM 1249 O LYS A 81 -7.998 5.673 -6.947 1.00 0.00 O ATOM 1250 CB LYS A 81 -7.509 8.767 -5.784 1.00 0.00 C ATOM 1251 CG LYS A 81 -8.917 9.183 -5.368 1.00 0.00 C ATOM 1252 CD LYS A 81 -9.153 10.693 -5.336 1.00 0.00 C ATOM 1253 CE LYS A 81 -9.352 11.248 -6.747 1.00 0.00 C ATOM 1254 NZ LYS A 81 -9.501 12.715 -6.742 1.00 0.00 N ATOM 0 H LYS A 81 -5.679 7.427 -6.742 1.00 0.00 H new ATOM 0 HA LYS A 81 -7.317 7.273 -4.286 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -6.777 9.429 -5.321 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -7.397 8.872 -6.863 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -9.633 8.732 -6.055 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -9.124 8.775 -4.379 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -10.030 10.915 -4.728 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -8.304 11.187 -4.864 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -8.501 10.971 -7.370 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -10.236 10.794 -7.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -9.634 13.054 -7.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -10.328 12.978 -6.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -8.647 13.149 -6.338 1.00 0.00 H new ATOM 1268 N VAL A 82 -9.360 6.132 -5.219 1.00 0.00 N ATOM 1269 CA VAL A 82 -10.467 5.266 -5.606 1.00 0.00 C ATOM 1270 C VAL A 82 -11.533 6.063 -6.353 1.00 0.00 C ATOM 1271 O VAL A 82 -11.698 7.268 -6.140 1.00 0.00 O ATOM 1272 CB VAL A 82 -11.039 4.577 -4.348 1.00 0.00 C ATOM 1273 CG1 VAL A 82 -10.015 3.619 -3.732 1.00 0.00 C ATOM 1274 CG2 VAL A 82 -11.558 5.566 -3.317 1.00 0.00 C ATOM 0 H VAL A 82 -9.531 6.622 -4.341 1.00 0.00 H new ATOM 0 HA VAL A 82 -10.110 4.493 -6.287 1.00 0.00 H new ATOM 0 HB VAL A 82 -11.900 3.995 -4.676 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -10.444 3.147 -2.848 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -9.750 2.852 -4.460 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -9.121 4.175 -3.449 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -11.947 5.023 -2.456 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -10.745 6.219 -2.998 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -12.354 6.167 -3.757 1.00 0.00 H new ATOM 1284 N ALA A 83 -12.348 5.354 -7.130 1.00 0.00 N ATOM 1285 CA ALA A 83 -13.580 5.773 -7.791 1.00 0.00 C ATOM 1286 C ALA A 83 -13.369 6.732 -8.972 1.00 0.00 C ATOM 1287 O ALA A 83 -13.928 6.493 -10.050 1.00 0.00 O ATOM 1288 CB ALA A 83 -14.577 6.290 -6.758 1.00 0.00 C ATOM 0 H ALA A 83 -12.141 4.376 -7.332 1.00 0.00 H new ATOM 0 HA ALA A 83 -14.009 4.889 -8.263 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -15.493 6.600 -7.260 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -14.805 5.498 -6.044 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -14.146 7.141 -6.231 1.00 0.00 H new ATOM 1294 N THR A 84 -12.558 7.780 -8.788 1.00 0.00 N ATOM 1295 CA THR A 84 -12.045 8.680 -9.827 1.00 0.00 C ATOM 1296 C THR A 84 -13.179 9.457 -10.546 1.00 0.00 C ATOM 1297 O THR A 84 -14.370 9.199 -10.323 1.00 0.00 O ATOM 1298 CB THR A 84 -11.101 7.825 -10.715 1.00 0.00 C ATOM 1299 OG1 THR A 84 -10.131 7.220 -9.879 1.00 0.00 O ATOM 1300 CG2 THR A 84 -10.344 8.542 -11.838 1.00 0.00 C ATOM 0 H THR A 84 -12.224 8.037 -7.859 1.00 0.00 H new ATOM 0 HA THR A 84 -11.458 9.504 -9.421 1.00 0.00 H new ATOM 0 HB THR A 84 -11.772 7.130 -11.220 1.00 0.00 H new ATOM 0 HG1 THR A 84 -9.526 6.674 -10.423 1.00 0.00 H new ATOM 0 HG21 THR A 84 -9.724 7.824 -12.375 1.00 0.00 H new ATOM 0 HG22 THR A 84 -11.058 8.993 -12.528 1.00 0.00 H new ATOM 0 HG23 THR A 84 -9.711 9.320 -11.411 1.00 0.00 H new ATOM 1308 N ARG A 85 -12.862 10.465 -11.369 1.00 0.00 N ATOM 1309 CA ARG A 85 -13.815 11.085 -12.299 1.00 0.00 C ATOM 1310 C ARG A 85 -13.075 11.686 -13.499 1.00 0.00 C ATOM 1311 O ARG A 85 -11.839 11.691 -13.527 1.00 0.00 O ATOM 1312 CB ARG A 85 -14.720 12.114 -11.580 1.00 0.00 C ATOM 1313 CG ARG A 85 -16.152 12.073 -12.151 1.00 0.00 C ATOM 1314 CD ARG A 85 -17.079 13.168 -11.624 1.00 0.00 C ATOM 1315 NE ARG A 85 -17.474 12.958 -10.221 1.00 0.00 N ATOM 1316 CZ ARG A 85 -17.471 13.862 -9.239 1.00 0.00 C ATOM 1317 NH1 ARG A 85 -16.911 15.058 -9.409 1.00 0.00 N ATOM 1318 NH2 ARG A 85 -18.072 13.551 -8.099 1.00 0.00 N ATOM 0 H ARG A 85 -11.930 10.876 -11.408 1.00 0.00 H new ATOM 0 HA ARG A 85 -14.481 10.312 -12.682 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -14.743 11.901 -10.511 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -14.305 13.115 -11.697 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -16.098 12.152 -13.237 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -16.592 11.102 -11.923 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -16.581 14.133 -11.715 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -17.973 13.210 -12.246 1.00 0.00 H new ATOM 0 HE ARG A 85 -17.784 12.019 -9.972 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -16.475 15.295 -10.300 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -16.918 15.737 -8.648 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -18.520 12.641 -7.990 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -18.086 14.221 -7.330 1.00 0.00 H new ATOM 1332 N GLY A 86 -13.817 12.190 -14.483 1.00 0.00 N ATOM 1333 CA GLY A 86 -13.306 12.853 -15.668 1.00 0.00 C ATOM 1334 C GLY A 86 -12.927 11.809 -16.700 1.00 0.00 C ATOM 1335 O GLY A 86 -13.775 11.388 -17.487 1.00 0.00 O ATOM 0 H GLY A 86 -14.836 12.142 -14.470 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -14.059 13.527 -16.075 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -12.438 13.461 -15.413 1.00 0.00 H new ATOM 1339 N SER A 87 -11.667 11.370 -16.659 1.00 0.00 N ATOM 1340 CA SER A 87 -11.011 10.678 -17.761 1.00 0.00 C ATOM 1341 C SER A 87 -10.861 11.621 -18.968 1.00 0.00 C ATOM 1342 O SER A 87 -11.109 12.829 -18.872 1.00 0.00 O ATOM 1343 CB SER A 87 -11.751 9.368 -18.078 1.00 0.00 C ATOM 1344 OG SER A 87 -10.902 8.427 -18.695 1.00 0.00 O ATOM 0 H SER A 87 -11.067 11.490 -15.843 1.00 0.00 H new ATOM 0 HA SER A 87 -9.998 10.392 -17.477 1.00 0.00 H new ATOM 0 HB2 SER A 87 -12.155 8.946 -17.158 1.00 0.00 H new ATOM 0 HB3 SER A 87 -12.598 9.577 -18.731 1.00 0.00 H new ATOM 0 HG SER A 87 -11.404 7.606 -18.881 1.00 0.00 H new ATOM 1350 N GLY A 88 -10.392 11.080 -20.091 1.00 0.00 N ATOM 1351 CA GLY A 88 -10.102 11.805 -21.317 1.00 0.00 C ATOM 1352 C GLY A 88 -10.708 11.057 -22.498 1.00 0.00 C ATOM 1353 O GLY A 88 -10.137 10.036 -22.882 1.00 0.00 O ATOM 0 H GLY A 88 -10.197 10.082 -20.170 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -10.511 12.814 -21.262 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -9.025 11.904 -21.448 1.00 0.00 H new ATOM 1357 N PRO A 89 -11.866 11.471 -23.040 1.00 0.00 N ATOM 1358 CA PRO A 89 -12.395 10.892 -24.268 1.00 0.00 C ATOM 1359 C PRO A 89 -11.541 11.310 -25.477 1.00 0.00 C ATOM 1360 O PRO A 89 -10.799 12.296 -25.422 1.00 0.00 O ATOM 1361 CB PRO A 89 -13.840 11.389 -24.353 1.00 0.00 C ATOM 1362 CG PRO A 89 -13.807 12.727 -23.622 1.00 0.00 C ATOM 1363 CD PRO A 89 -12.751 12.516 -22.538 1.00 0.00 C ATOM 0 HA PRO A 89 -12.367 9.802 -24.269 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -14.163 11.506 -25.388 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -14.532 10.692 -23.880 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -13.537 13.544 -24.292 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -14.778 12.974 -23.193 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -12.199 13.436 -22.346 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -13.212 12.218 -21.596 1.00 0.00 H new ATOM 1371 N SER A 90 -11.708 10.596 -26.590 1.00 0.00 N ATOM 1372 CA SER A 90 -10.933 10.653 -27.831 1.00 0.00 C ATOM 1373 C SER A 90 -9.518 10.074 -27.701 1.00 0.00 C ATOM 1374 O SER A 90 -9.117 9.655 -26.610 1.00 0.00 O ATOM 1375 CB SER A 90 -11.020 12.050 -28.468 1.00 0.00 C ATOM 1376 OG SER A 90 -11.908 11.978 -29.569 1.00 0.00 O ATOM 0 H SER A 90 -12.453 9.903 -26.652 1.00 0.00 H new ATOM 0 HA SER A 90 -11.397 9.974 -28.546 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.375 12.779 -27.740 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.034 12.381 -28.795 1.00 0.00 H new ATOM 0 HG SER A 90 -11.980 12.860 -29.990 1.00 0.00 H new ATOM 1382 N SER A 91 -8.817 9.912 -28.828 1.00 0.00 N ATOM 1383 CA SER A 91 -7.479 9.336 -28.938 1.00 0.00 C ATOM 1384 C SER A 91 -6.872 9.744 -30.286 1.00 0.00 C ATOM 1385 O SER A 91 -6.981 9.027 -31.290 1.00 0.00 O ATOM 1386 CB SER A 91 -7.542 7.810 -28.792 1.00 0.00 C ATOM 1387 OG SER A 91 -7.784 7.467 -27.441 1.00 0.00 O ATOM 0 H SER A 91 -9.190 10.195 -29.734 1.00 0.00 H new ATOM 0 HA SER A 91 -6.844 9.714 -28.137 1.00 0.00 H new ATOM 0 HB2 SER A 91 -8.332 7.407 -29.426 1.00 0.00 H new ATOM 0 HB3 SER A 91 -6.606 7.364 -29.128 1.00 0.00 H new ATOM 0 HG SER A 91 -8.006 8.275 -26.933 1.00 0.00 H new ATOM 1393 N GLY A 92 -6.257 10.918 -30.314 1.00 0.00 N ATOM 1394 CA GLY A 92 -5.965 11.707 -31.494 1.00 0.00 C ATOM 1395 C GLY A 92 -6.571 13.051 -31.179 1.00 0.00 C ATOM 1396 O GLY A 92 -5.825 13.914 -30.643 1.00 0.00 O ATOM 0 H GLY A 92 -5.930 11.369 -29.459 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -4.892 11.782 -31.671 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -6.406 11.268 -32.389 1.00 0.00 H new TER 1400 GLY A 92