USER MOD reduce.3.24.130724 H: found=0, std=0, add=833, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 830 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 58 ASN : amide:sc= -1.71 K(o=-8.1,f=-12!) USER MOD Set 1.2: A 60 TYR OH : rot 68:sc= -6.39! USER MOD Set 2.1: A 56 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 50 SER OG : rot 155:sc= -3.99! USER MOD Set 3.2: A 54 ASN : amide:sc= -8.42! K(o=-12!,f=-8) USER MOD Set 4.1: A 14 GLN : amide:sc= -8.55! C(o=-33!,f=-37!) USER MOD Set 4.2: A 32 HIS : no HD1:sc= -18.3! C(o=-33!,f=-40!) USER MOD Set 4.3: A 36 HIS : no HD1:sc= -2.12! C(o=-33!,f=-41!) USER MOD Set 4.4: A 37 TYR OH : rot -113:sc= -3.61! USER MOD Set 5.1: A 8 TYR OH : rot 150:sc= -1.12! USER MOD Set 5.2: A 40 TYR OH : rot -129:sc= 1.38 USER MOD Single : A 1 GLU N :NH3+ 129:sc= -0.175 (180deg=-1.26!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 93:sc= 0.692 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -7.73! C(o=-7.7!,f=-6.2!) USER MOD Single : A 17 SER OG : rot 64:sc= -4.42! USER MOD Single : A 18 SER OG : rot -103:sc= -3.41! USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 25 THR OG1 : rot 39:sc= 0.53 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot -94:sc= 0.799 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.806 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 30:sc= -0.147 USER MOD Single : A 42 THR OG1 : rot -64:sc= 1.18 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -6.89! C(o=-6.9!,f=-3.4!) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 HIS : no HD1:sc= -0.0217 X(o=-0.022,f=-0.094) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.473 K(o=-0.47,f=-3.8!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc=-0.00212 X(o=-0.0021,f=-0.14) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 17.515 9.264 -0.606 1.00 0.00 N ATOM 2 CA GLU A 1 17.427 10.590 -1.281 1.00 0.00 C ATOM 3 C GLU A 1 16.683 10.437 -2.610 1.00 0.00 C ATOM 4 O GLU A 1 16.339 9.345 -3.018 1.00 0.00 O ATOM 5 CB GLU A 1 18.837 11.124 -1.541 1.00 0.00 C ATOM 6 CG GLU A 1 19.582 10.168 -2.473 1.00 0.00 C ATOM 7 CD GLU A 1 21.089 10.330 -2.271 1.00 0.00 C ATOM 8 OE1 GLU A 1 21.615 9.707 -1.363 1.00 0.00 O ATOM 9 OE2 GLU A 1 21.692 11.073 -3.026 1.00 0.00 O ATOM 0 H1 GLU A 1 18.501 9.078 -0.334 1.00 0.00 H new ATOM 0 H2 GLU A 1 16.916 9.267 0.244 1.00 0.00 H new ATOM 0 H3 GLU A 1 17.190 8.521 -1.257 1.00 0.00 H new ATOM 0 HA GLU A 1 16.887 11.289 -0.642 1.00 0.00 H new ATOM 0 HB2 GLU A 1 18.784 12.117 -1.988 1.00 0.00 H new ATOM 0 HB3 GLU A 1 19.378 11.226 -0.600 1.00 0.00 H new ATOM 0 HG2 GLU A 1 19.285 9.139 -2.269 1.00 0.00 H new ATOM 0 HG3 GLU A 1 19.319 10.376 -3.510 1.00 0.00 H new ATOM 18 N SER A 2 16.428 11.523 -3.289 1.00 0.00 N ATOM 19 CA SER A 2 15.704 11.435 -4.588 1.00 0.00 C ATOM 20 C SER A 2 14.503 10.502 -4.433 1.00 0.00 C ATOM 21 O SER A 2 14.109 10.163 -3.336 1.00 0.00 O ATOM 22 CB SER A 2 16.644 10.886 -5.661 1.00 0.00 C ATOM 23 OG SER A 2 16.960 11.920 -6.584 1.00 0.00 O ATOM 0 H SER A 2 16.690 12.466 -3.000 1.00 0.00 H new ATOM 0 HA SER A 2 15.361 12.426 -4.884 1.00 0.00 H new ATOM 0 HB2 SER A 2 17.555 10.503 -5.201 1.00 0.00 H new ATOM 0 HB3 SER A 2 16.173 10.051 -6.180 1.00 0.00 H new ATOM 0 HG SER A 2 17.564 11.571 -7.272 1.00 0.00 H new ATOM 29 N LYS A 3 13.918 10.081 -5.522 1.00 0.00 N ATOM 30 CA LYS A 3 12.745 9.168 -5.426 1.00 0.00 C ATOM 31 C LYS A 3 13.160 7.754 -5.852 1.00 0.00 C ATOM 32 O LYS A 3 13.348 7.497 -7.025 1.00 0.00 O ATOM 33 CB LYS A 3 11.628 9.668 -6.345 1.00 0.00 C ATOM 34 CG LYS A 3 11.323 11.134 -6.032 1.00 0.00 C ATOM 35 CD LYS A 3 12.426 12.021 -6.615 1.00 0.00 C ATOM 36 CE LYS A 3 11.820 13.339 -7.104 1.00 0.00 C ATOM 37 NZ LYS A 3 12.913 14.308 -7.398 1.00 0.00 N ATOM 0 H LYS A 3 14.201 10.329 -6.470 1.00 0.00 H new ATOM 0 HA LYS A 3 12.387 9.148 -4.397 1.00 0.00 H new ATOM 0 HB2 LYS A 3 11.927 9.563 -7.388 1.00 0.00 H new ATOM 0 HB3 LYS A 3 10.732 9.062 -6.208 1.00 0.00 H new ATOM 0 HG2 LYS A 3 10.357 11.413 -6.452 1.00 0.00 H new ATOM 0 HG3 LYS A 3 11.256 11.280 -4.954 1.00 0.00 H new ATOM 0 HD2 LYS A 3 13.187 12.217 -5.859 1.00 0.00 H new ATOM 0 HD3 LYS A 3 12.921 11.508 -7.440 1.00 0.00 H new ATOM 0 HE2 LYS A 3 11.221 13.167 -7.999 1.00 0.00 H new ATOM 0 HE3 LYS A 3 11.151 13.747 -6.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 12.503 15.204 -7.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 13.466 14.480 -6.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 13.534 13.917 -8.135 1.00 0.00 H new ATOM 51 N PRO A 4 13.282 6.871 -4.885 1.00 0.00 N ATOM 52 CA PRO A 4 13.663 5.463 -5.124 1.00 0.00 C ATOM 53 C PRO A 4 12.475 4.486 -5.393 1.00 0.00 C ATOM 54 O PRO A 4 12.704 3.292 -5.373 1.00 0.00 O ATOM 55 CB PRO A 4 14.320 5.069 -3.798 1.00 0.00 C ATOM 56 CG PRO A 4 13.749 6.024 -2.717 1.00 0.00 C ATOM 57 CD PRO A 4 13.100 7.206 -3.460 1.00 0.00 C ATOM 0 HA PRO A 4 14.280 5.390 -6.019 1.00 0.00 H new ATOM 0 HB2 PRO A 4 14.101 4.030 -3.551 1.00 0.00 H new ATOM 0 HB3 PRO A 4 15.404 5.160 -3.861 1.00 0.00 H new ATOM 0 HG2 PRO A 4 13.016 5.509 -2.096 1.00 0.00 H new ATOM 0 HG3 PRO A 4 14.540 6.373 -2.053 1.00 0.00 H new ATOM 0 HD2 PRO A 4 12.045 7.308 -3.205 1.00 0.00 H new ATOM 0 HD3 PRO A 4 13.582 8.150 -3.207 1.00 0.00 H new ATOM 65 N PRO A 5 11.250 4.946 -5.625 1.00 0.00 N ATOM 66 CA PRO A 5 10.129 4.017 -5.864 1.00 0.00 C ATOM 67 C PRO A 5 10.152 3.514 -7.306 1.00 0.00 C ATOM 68 O PRO A 5 11.070 3.782 -8.056 1.00 0.00 O ATOM 69 CB PRO A 5 8.884 4.862 -5.600 1.00 0.00 C ATOM 70 CG PRO A 5 9.312 6.332 -5.783 1.00 0.00 C ATOM 71 CD PRO A 5 10.846 6.365 -5.678 1.00 0.00 C ATOM 0 HA PRO A 5 10.171 3.131 -5.231 1.00 0.00 H new ATOM 0 HB2 PRO A 5 8.083 4.601 -6.292 1.00 0.00 H new ATOM 0 HB3 PRO A 5 8.504 4.690 -4.593 1.00 0.00 H new ATOM 0 HG2 PRO A 5 8.982 6.713 -6.750 1.00 0.00 H new ATOM 0 HG3 PRO A 5 8.859 6.964 -5.020 1.00 0.00 H new ATOM 0 HD2 PRO A 5 11.291 6.871 -6.535 1.00 0.00 H new ATOM 0 HD3 PRO A 5 11.170 6.902 -4.787 1.00 0.00 H new ATOM 79 N TYR A 6 9.155 2.771 -7.695 1.00 0.00 N ATOM 80 CA TYR A 6 9.124 2.233 -9.080 1.00 0.00 C ATOM 81 C TYR A 6 8.003 2.909 -9.865 1.00 0.00 C ATOM 82 O TYR A 6 7.333 3.792 -9.367 1.00 0.00 O ATOM 83 CB TYR A 6 8.899 0.719 -9.021 1.00 0.00 C ATOM 84 CG TYR A 6 9.522 0.170 -7.753 1.00 0.00 C ATOM 85 CD1 TYR A 6 10.730 0.704 -7.281 1.00 0.00 C ATOM 86 CD2 TYR A 6 8.894 -0.861 -7.047 1.00 0.00 C ATOM 87 CE1 TYR A 6 11.306 0.206 -6.107 1.00 0.00 C ATOM 88 CE2 TYR A 6 9.472 -1.360 -5.873 1.00 0.00 C ATOM 89 CZ TYR A 6 10.678 -0.827 -5.402 1.00 0.00 C ATOM 90 OH TYR A 6 11.246 -1.319 -4.246 1.00 0.00 O ATOM 0 H TYR A 6 8.359 2.513 -7.111 1.00 0.00 H new ATOM 0 HA TYR A 6 10.070 2.435 -9.582 1.00 0.00 H new ATOM 0 HB2 TYR A 6 7.832 0.497 -9.041 1.00 0.00 H new ATOM 0 HB3 TYR A 6 9.341 0.240 -9.894 1.00 0.00 H new ATOM 0 HD1 TYR A 6 11.216 1.501 -7.824 1.00 0.00 H new ATOM 0 HD2 TYR A 6 7.963 -1.273 -7.407 1.00 0.00 H new ATOM 0 HE1 TYR A 6 12.236 0.619 -5.745 1.00 0.00 H new ATOM 0 HE2 TYR A 6 8.987 -2.157 -5.330 1.00 0.00 H new ATOM 0 HH TYR A 6 10.874 -0.847 -3.472 1.00 0.00 H new ATOM 100 N SER A 7 7.789 2.512 -11.089 1.00 0.00 N ATOM 101 CA SER A 7 6.707 3.150 -11.883 1.00 0.00 C ATOM 102 C SER A 7 5.447 3.186 -11.023 1.00 0.00 C ATOM 103 O SER A 7 5.194 2.276 -10.265 1.00 0.00 O ATOM 104 CB SER A 7 6.446 2.328 -13.146 1.00 0.00 C ATOM 105 OG SER A 7 7.612 2.335 -13.959 1.00 0.00 O ATOM 0 H SER A 7 8.313 1.780 -11.569 1.00 0.00 H new ATOM 0 HA SER A 7 6.994 4.160 -12.174 1.00 0.00 H new ATOM 0 HB2 SER A 7 6.180 1.305 -12.880 1.00 0.00 H new ATOM 0 HB3 SER A 7 5.602 2.744 -13.697 1.00 0.00 H new ATOM 0 HG SER A 7 7.449 1.808 -14.769 1.00 0.00 H new ATOM 111 N TYR A 8 4.669 4.233 -11.112 1.00 0.00 N ATOM 112 CA TYR A 8 3.441 4.315 -10.267 1.00 0.00 C ATOM 113 C TYR A 8 2.514 3.144 -10.585 1.00 0.00 C ATOM 114 O TYR A 8 1.621 3.234 -11.404 1.00 0.00 O ATOM 115 CB TYR A 8 2.735 5.652 -10.495 1.00 0.00 C ATOM 116 CG TYR A 8 3.262 6.632 -9.472 1.00 0.00 C ATOM 117 CD1 TYR A 8 4.560 6.475 -8.968 1.00 0.00 C ATOM 118 CD2 TYR A 8 2.457 7.679 -9.013 1.00 0.00 C ATOM 119 CE1 TYR A 8 5.054 7.363 -8.010 1.00 0.00 C ATOM 120 CE2 TYR A 8 2.951 8.568 -8.049 1.00 0.00 C ATOM 121 CZ TYR A 8 4.250 8.409 -7.548 1.00 0.00 C ATOM 122 OH TYR A 8 4.737 9.284 -6.598 1.00 0.00 O ATOM 0 H TYR A 8 4.829 5.030 -11.729 1.00 0.00 H new ATOM 0 HA TYR A 8 3.721 4.255 -9.215 1.00 0.00 H new ATOM 0 HB2 TYR A 8 2.923 6.016 -11.505 1.00 0.00 H new ATOM 0 HB3 TYR A 8 1.656 5.537 -10.393 1.00 0.00 H new ATOM 0 HD1 TYR A 8 5.180 5.665 -9.322 1.00 0.00 H new ATOM 0 HD2 TYR A 8 1.457 7.802 -9.401 1.00 0.00 H new ATOM 0 HE1 TYR A 8 6.056 7.242 -7.626 1.00 0.00 H new ATOM 0 HE2 TYR A 8 2.330 9.376 -7.692 1.00 0.00 H new ATOM 0 HH TYR A 8 4.322 10.163 -6.720 1.00 0.00 H new ATOM 132 N ALA A 9 2.743 2.043 -9.931 1.00 0.00 N ATOM 133 CA ALA A 9 1.921 0.827 -10.148 1.00 0.00 C ATOM 134 C ALA A 9 2.524 -0.306 -9.312 1.00 0.00 C ATOM 135 O ALA A 9 1.844 -1.211 -8.874 1.00 0.00 O ATOM 136 CB ALA A 9 1.945 0.456 -11.631 1.00 0.00 C ATOM 0 H ALA A 9 3.484 1.934 -9.239 1.00 0.00 H new ATOM 0 HA ALA A 9 0.887 1.002 -9.850 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.342 -0.437 -11.792 1.00 0.00 H new ATOM 0 HB2 ALA A 9 1.539 1.279 -12.219 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.972 0.261 -11.941 1.00 0.00 H new ATOM 142 N GLN A 10 3.816 -0.245 -9.098 1.00 0.00 N ATOM 143 CA GLN A 10 4.517 -1.287 -8.304 1.00 0.00 C ATOM 144 C GLN A 10 4.381 -0.960 -6.819 1.00 0.00 C ATOM 145 O GLN A 10 4.370 -1.839 -5.985 1.00 0.00 O ATOM 146 CB GLN A 10 5.997 -1.293 -8.693 1.00 0.00 C ATOM 147 CG GLN A 10 6.130 -1.110 -10.208 1.00 0.00 C ATOM 148 CD GLN A 10 6.796 -2.342 -10.819 1.00 0.00 C ATOM 149 OE1 GLN A 10 6.437 -2.767 -11.899 1.00 0.00 O ATOM 150 NE2 GLN A 10 7.757 -2.938 -10.171 1.00 0.00 N ATOM 0 H GLN A 10 4.420 0.499 -9.449 1.00 0.00 H new ATOM 0 HA GLN A 10 4.081 -2.266 -8.502 1.00 0.00 H new ATOM 0 HB2 GLN A 10 6.524 -0.493 -8.172 1.00 0.00 H new ATOM 0 HB3 GLN A 10 6.460 -2.231 -8.388 1.00 0.00 H new ATOM 0 HG2 GLN A 10 5.147 -0.958 -10.653 1.00 0.00 H new ATOM 0 HG3 GLN A 10 6.720 -0.220 -10.426 1.00 0.00 H new ATOM 0 HE21 GLN A 10 8.058 -2.581 -9.264 1.00 0.00 H new ATOM 0 HE22 GLN A 10 8.208 -3.761 -10.571 1.00 0.00 H new ATOM 159 N LEU A 11 4.249 0.293 -6.475 1.00 0.00 N ATOM 160 CA LEU A 11 4.081 0.623 -5.030 1.00 0.00 C ATOM 161 C LEU A 11 2.781 -0.014 -4.614 1.00 0.00 C ATOM 162 O LEU A 11 2.569 -0.344 -3.466 1.00 0.00 O ATOM 163 CB LEU A 11 3.982 2.138 -4.744 1.00 0.00 C ATOM 164 CG LEU A 11 4.633 2.973 -5.837 1.00 0.00 C ATOM 165 CD1 LEU A 11 5.909 2.296 -6.332 1.00 0.00 C ATOM 166 CD2 LEU A 11 3.638 3.130 -6.978 1.00 0.00 C ATOM 0 H LEU A 11 4.250 1.087 -7.116 1.00 0.00 H new ATOM 0 HA LEU A 11 4.954 0.262 -4.486 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.933 2.420 -4.649 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.459 2.358 -3.789 1.00 0.00 H new ATOM 0 HG LEU A 11 4.904 3.953 -5.445 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.364 2.904 -7.114 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.608 2.188 -5.503 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.667 1.312 -6.733 1.00 0.00 H new ATOM 0 HD21 LEU A 11 4.087 3.726 -7.772 1.00 0.00 H new ATOM 0 HD22 LEU A 11 3.373 2.147 -7.368 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.741 3.629 -6.612 1.00 0.00 H new ATOM 178 N ILE A 12 1.898 -0.197 -5.557 1.00 0.00 N ATOM 179 CA ILE A 12 0.610 -0.821 -5.212 1.00 0.00 C ATOM 180 C ILE A 12 0.800 -2.327 -5.112 1.00 0.00 C ATOM 181 O ILE A 12 0.462 -2.938 -4.136 1.00 0.00 O ATOM 182 CB ILE A 12 -0.441 -0.542 -6.269 1.00 0.00 C ATOM 183 CG1 ILE A 12 -0.297 0.879 -6.818 1.00 0.00 C ATOM 184 CG2 ILE A 12 -1.807 -0.700 -5.618 1.00 0.00 C ATOM 185 CD1 ILE A 12 -0.422 1.878 -5.674 1.00 0.00 C ATOM 0 H ILE A 12 2.019 0.058 -6.537 1.00 0.00 H new ATOM 0 HA ILE A 12 0.274 -0.402 -4.263 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.321 -1.237 -7.100 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.668 0.994 -7.312 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.064 1.070 -7.568 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.586 -0.505 -6.355 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.913 -1.716 -5.237 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.902 0.008 -4.794 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.320 2.891 -6.063 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.397 1.768 -5.200 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.362 1.690 -4.940 1.00 0.00 H new ATOM 197 N VAL A 13 1.330 -2.934 -6.124 1.00 0.00 N ATOM 198 CA VAL A 13 1.527 -4.404 -6.078 1.00 0.00 C ATOM 199 C VAL A 13 2.220 -4.789 -4.771 1.00 0.00 C ATOM 200 O VAL A 13 1.717 -5.585 -4.008 1.00 0.00 O ATOM 201 CB VAL A 13 2.406 -4.812 -7.246 1.00 0.00 C ATOM 202 CG1 VAL A 13 2.598 -6.328 -7.217 1.00 0.00 C ATOM 203 CG2 VAL A 13 1.726 -4.379 -8.546 1.00 0.00 C ATOM 0 H VAL A 13 1.637 -2.479 -6.984 1.00 0.00 H new ATOM 0 HA VAL A 13 0.562 -4.908 -6.136 1.00 0.00 H new ATOM 0 HB VAL A 13 3.383 -4.333 -7.179 1.00 0.00 H new ATOM 0 HG11 VAL A 13 3.229 -6.631 -8.053 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.074 -6.617 -6.280 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.628 -6.819 -7.297 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.347 -4.666 -9.395 1.00 0.00 H new ATOM 0 HG22 VAL A 13 0.754 -4.865 -8.627 1.00 0.00 H new ATOM 0 HG23 VAL A 13 1.592 -3.297 -8.544 1.00 0.00 H new ATOM 213 N GLN A 14 3.361 -4.233 -4.496 1.00 0.00 N ATOM 214 CA GLN A 14 4.052 -4.577 -3.228 1.00 0.00 C ATOM 215 C GLN A 14 3.216 -4.049 -2.062 1.00 0.00 C ATOM 216 O GLN A 14 3.327 -4.505 -0.944 1.00 0.00 O ATOM 217 CB GLN A 14 5.438 -3.934 -3.201 1.00 0.00 C ATOM 218 CG GLN A 14 6.224 -4.473 -2.003 1.00 0.00 C ATOM 219 CD GLN A 14 7.537 -3.702 -1.867 1.00 0.00 C ATOM 220 OE1 GLN A 14 7.682 -2.876 -0.987 1.00 0.00 O ATOM 221 NE2 GLN A 14 8.508 -3.940 -2.703 1.00 0.00 N ATOM 0 H GLN A 14 3.844 -3.559 -5.090 1.00 0.00 H new ATOM 0 HA GLN A 14 4.166 -5.658 -3.148 1.00 0.00 H new ATOM 0 HB2 GLN A 14 5.970 -4.151 -4.127 1.00 0.00 H new ATOM 0 HB3 GLN A 14 5.347 -2.850 -3.133 1.00 0.00 H new ATOM 0 HG2 GLN A 14 5.634 -4.372 -1.092 1.00 0.00 H new ATOM 0 HG3 GLN A 14 6.426 -5.536 -2.135 1.00 0.00 H new ATOM 0 HE21 GLN A 14 8.387 -4.633 -3.442 1.00 0.00 H new ATOM 0 HE22 GLN A 14 9.389 -3.433 -2.619 1.00 0.00 H new ATOM 230 N ALA A 15 2.379 -3.083 -2.321 1.00 0.00 N ATOM 231 CA ALA A 15 1.530 -2.515 -1.239 1.00 0.00 C ATOM 232 C ALA A 15 0.469 -3.546 -0.803 1.00 0.00 C ATOM 233 O ALA A 15 0.425 -3.958 0.338 1.00 0.00 O ATOM 234 CB ALA A 15 0.854 -1.238 -1.761 1.00 0.00 C ATOM 0 H ALA A 15 2.247 -2.661 -3.240 1.00 0.00 H new ATOM 0 HA ALA A 15 2.146 -2.273 -0.373 1.00 0.00 H new ATOM 0 HB1 ALA A 15 0.228 -0.811 -0.977 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.617 -0.515 -2.051 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.237 -1.481 -2.626 1.00 0.00 H new ATOM 240 N ILE A 16 -0.385 -3.962 -1.703 1.00 0.00 N ATOM 241 CA ILE A 16 -1.445 -4.962 -1.348 1.00 0.00 C ATOM 242 C ILE A 16 -0.906 -6.388 -1.496 1.00 0.00 C ATOM 243 O ILE A 16 -1.097 -7.228 -0.641 1.00 0.00 O ATOM 244 CB ILE A 16 -2.678 -4.810 -2.262 1.00 0.00 C ATOM 245 CG1 ILE A 16 -2.442 -3.749 -3.349 1.00 0.00 C ATOM 246 CG2 ILE A 16 -3.871 -4.387 -1.411 1.00 0.00 C ATOM 247 CD1 ILE A 16 -3.782 -3.325 -3.952 1.00 0.00 C ATOM 0 H ILE A 16 -0.396 -3.652 -2.675 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.735 -4.777 -0.314 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.866 -5.766 -2.750 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.934 -2.884 -2.923 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.792 -4.149 -4.127 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.750 -4.276 -2.046 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -4.065 -5.146 -0.653 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.652 -3.436 -0.925 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -3.613 -2.573 -4.722 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -4.273 -4.192 -4.393 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.417 -2.907 -3.171 1.00 0.00 H new ATOM 259 N SER A 17 -0.263 -6.672 -2.593 1.00 0.00 N ATOM 260 CA SER A 17 0.267 -8.048 -2.828 1.00 0.00 C ATOM 261 C SER A 17 1.216 -8.471 -1.702 1.00 0.00 C ATOM 262 O SER A 17 1.138 -9.575 -1.200 1.00 0.00 O ATOM 263 CB SER A 17 1.023 -8.075 -4.156 1.00 0.00 C ATOM 264 OG SER A 17 0.365 -7.228 -5.088 1.00 0.00 O ATOM 0 H SER A 17 -0.079 -6.007 -3.344 1.00 0.00 H new ATOM 0 HA SER A 17 -0.573 -8.742 -2.854 1.00 0.00 H new ATOM 0 HB2 SER A 17 2.051 -7.744 -4.009 1.00 0.00 H new ATOM 0 HB3 SER A 17 1.068 -9.094 -4.541 1.00 0.00 H new ATOM 0 HG SER A 17 0.404 -6.301 -4.772 1.00 0.00 H new ATOM 270 N SER A 18 2.125 -7.618 -1.310 1.00 0.00 N ATOM 271 CA SER A 18 3.082 -8.003 -0.231 1.00 0.00 C ATOM 272 C SER A 18 2.403 -7.909 1.135 1.00 0.00 C ATOM 273 O SER A 18 2.989 -8.228 2.150 1.00 0.00 O ATOM 274 CB SER A 18 4.291 -7.067 -0.258 1.00 0.00 C ATOM 275 OG SER A 18 4.735 -6.898 -1.600 1.00 0.00 O ATOM 0 H SER A 18 2.246 -6.678 -1.687 1.00 0.00 H new ATOM 0 HA SER A 18 3.407 -9.030 -0.400 1.00 0.00 H new ATOM 0 HB2 SER A 18 4.025 -6.101 0.172 1.00 0.00 H new ATOM 0 HB3 SER A 18 5.095 -7.478 0.353 1.00 0.00 H new ATOM 0 HG SER A 18 5.539 -7.439 -1.749 1.00 0.00 H new ATOM 281 N ALA A 19 1.171 -7.485 1.176 1.00 0.00 N ATOM 282 CA ALA A 19 0.470 -7.387 2.484 1.00 0.00 C ATOM 283 C ALA A 19 -0.416 -8.620 2.664 1.00 0.00 C ATOM 284 O ALA A 19 -1.097 -9.033 1.747 1.00 0.00 O ATOM 285 CB ALA A 19 -0.397 -6.127 2.506 1.00 0.00 C ATOM 0 H ALA A 19 0.622 -7.203 0.364 1.00 0.00 H new ATOM 0 HA ALA A 19 1.200 -7.334 3.292 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.911 -6.055 3.465 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.234 -5.249 2.366 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.133 -6.177 1.703 1.00 0.00 H new ATOM 291 N GLN A 20 -0.417 -9.213 3.831 1.00 0.00 N ATOM 292 CA GLN A 20 -1.271 -10.416 4.047 1.00 0.00 C ATOM 293 C GLN A 20 -2.637 -10.159 3.414 1.00 0.00 C ATOM 294 O GLN A 20 -3.253 -11.040 2.850 1.00 0.00 O ATOM 295 CB GLN A 20 -1.433 -10.666 5.550 1.00 0.00 C ATOM 296 CG GLN A 20 -2.132 -12.008 5.773 1.00 0.00 C ATOM 297 CD GLN A 20 -1.170 -12.977 6.463 1.00 0.00 C ATOM 298 OE1 GLN A 20 -0.192 -13.399 5.878 1.00 0.00 O ATOM 299 NE2 GLN A 20 -1.405 -13.348 7.692 1.00 0.00 N ATOM 0 H GLN A 20 0.133 -8.917 4.637 1.00 0.00 H new ATOM 0 HA GLN A 20 -0.810 -11.292 3.592 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -0.457 -10.667 6.036 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -2.014 -9.862 6.002 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -3.024 -11.868 6.384 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -2.460 -12.422 4.820 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -2.226 -12.994 8.183 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -0.768 -13.992 8.161 1.00 0.00 H new ATOM 308 N ASP A 21 -3.103 -8.943 3.493 1.00 0.00 N ATOM 309 CA ASP A 21 -4.415 -8.603 2.883 1.00 0.00 C ATOM 310 C ASP A 21 -4.194 -8.122 1.443 1.00 0.00 C ATOM 311 O ASP A 21 -3.783 -7.002 1.212 1.00 0.00 O ATOM 312 CB ASP A 21 -5.085 -7.492 3.693 1.00 0.00 C ATOM 313 CG ASP A 21 -6.001 -8.111 4.751 1.00 0.00 C ATOM 314 OD1 ASP A 21 -6.959 -8.761 4.369 1.00 0.00 O ATOM 315 OD2 ASP A 21 -5.728 -7.923 5.925 1.00 0.00 O ATOM 0 H ASP A 21 -2.628 -8.168 3.956 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.055 -9.485 2.881 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -4.329 -6.870 4.171 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.661 -6.843 3.033 1.00 0.00 H new ATOM 320 N ARG A 22 -4.464 -8.954 0.472 1.00 0.00 N ATOM 321 CA ARG A 22 -4.274 -8.540 -0.949 1.00 0.00 C ATOM 322 C ARG A 22 -5.145 -7.314 -1.255 1.00 0.00 C ATOM 323 O ARG A 22 -5.007 -6.684 -2.290 1.00 0.00 O ATOM 324 CB ARG A 22 -4.676 -9.694 -1.871 1.00 0.00 C ATOM 325 CG ARG A 22 -5.984 -10.317 -1.374 1.00 0.00 C ATOM 326 CD ARG A 22 -5.703 -11.703 -0.790 1.00 0.00 C ATOM 327 NE ARG A 22 -6.635 -12.697 -1.396 1.00 0.00 N ATOM 328 CZ ARG A 22 -7.527 -13.295 -0.654 1.00 0.00 C ATOM 329 NH1 ARG A 22 -8.710 -12.765 -0.501 1.00 0.00 N ATOM 330 NH2 ARG A 22 -7.238 -14.425 -0.066 1.00 0.00 N ATOM 0 H ARG A 22 -4.809 -9.905 0.602 1.00 0.00 H new ATOM 0 HA ARG A 22 -3.227 -8.286 -1.114 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.799 -9.332 -2.892 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -3.888 -10.447 -1.893 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.439 -9.678 -0.617 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.697 -10.395 -2.195 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.670 -11.990 -0.987 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -5.827 -11.685 0.293 1.00 0.00 H new ATOM 0 HE ARG A 22 -6.575 -12.910 -2.392 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -8.937 -11.884 -0.961 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -9.407 -13.232 0.079 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -6.314 -14.841 -0.186 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -7.936 -14.891 0.514 1.00 0.00 H new ATOM 344 N GLN A 23 -6.042 -6.971 -0.367 1.00 0.00 N ATOM 345 CA GLN A 23 -6.915 -5.791 -0.602 1.00 0.00 C ATOM 346 C GLN A 23 -6.524 -4.666 0.364 1.00 0.00 C ATOM 347 O GLN A 23 -6.295 -4.890 1.535 1.00 0.00 O ATOM 348 CB GLN A 23 -8.375 -6.184 -0.367 1.00 0.00 C ATOM 349 CG GLN A 23 -8.581 -6.530 1.108 1.00 0.00 C ATOM 350 CD GLN A 23 -9.156 -7.941 1.226 1.00 0.00 C ATOM 351 OE1 GLN A 23 -8.437 -8.914 1.112 1.00 0.00 O ATOM 352 NE2 GLN A 23 -10.431 -8.097 1.451 1.00 0.00 N ATOM 0 H GLN A 23 -6.205 -7.461 0.512 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.793 -5.445 -1.629 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -9.034 -5.364 -0.654 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -8.638 -7.038 -0.992 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -7.634 -6.466 1.643 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -9.257 -5.811 1.570 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -11.036 -7.281 1.547 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -10.824 -9.035 1.531 1.00 0.00 H new ATOM 361 N LEU A 24 -6.447 -3.460 -0.123 1.00 0.00 N ATOM 362 CA LEU A 24 -6.077 -2.318 0.753 1.00 0.00 C ATOM 363 C LEU A 24 -7.131 -1.227 0.614 1.00 0.00 C ATOM 364 O LEU A 24 -7.758 -1.090 -0.417 1.00 0.00 O ATOM 365 CB LEU A 24 -4.734 -1.736 0.300 1.00 0.00 C ATOM 366 CG LEU A 24 -3.578 -2.515 0.927 1.00 0.00 C ATOM 367 CD1 LEU A 24 -2.269 -2.112 0.244 1.00 0.00 C ATOM 368 CD2 LEU A 24 -3.494 -2.190 2.419 1.00 0.00 C ATOM 0 H LEU A 24 -6.626 -3.216 -1.097 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.009 -2.664 1.784 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.661 -1.776 -0.787 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.671 -0.686 0.585 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.745 -3.584 0.798 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.442 -2.665 0.688 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.329 -2.340 -0.820 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.103 -1.043 0.377 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.670 -2.745 2.867 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.325 -1.121 2.550 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.428 -2.471 2.906 1.00 0.00 H new ATOM 380 N THR A 25 -7.306 -0.422 1.618 1.00 0.00 N ATOM 381 CA THR A 25 -8.289 0.682 1.496 1.00 0.00 C ATOM 382 C THR A 25 -7.610 1.782 0.688 1.00 0.00 C ATOM 383 O THR A 25 -6.453 1.663 0.339 1.00 0.00 O ATOM 384 CB THR A 25 -8.662 1.207 2.886 1.00 0.00 C ATOM 385 OG1 THR A 25 -9.582 2.283 2.752 1.00 0.00 O ATOM 386 CG2 THR A 25 -7.399 1.687 3.606 1.00 0.00 C ATOM 0 H THR A 25 -6.816 -0.479 2.511 1.00 0.00 H new ATOM 0 HA THR A 25 -9.204 0.343 1.010 1.00 0.00 H new ATOM 0 HB THR A 25 -9.124 0.410 3.468 1.00 0.00 H new ATOM 0 HG1 THR A 25 -10.213 2.086 2.029 1.00 0.00 H new ATOM 0 HG21 THR A 25 -7.664 2.061 4.595 1.00 0.00 H new ATOM 0 HG22 THR A 25 -6.700 0.857 3.707 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.933 2.486 3.029 1.00 0.00 H new ATOM 394 N LEU A 26 -8.283 2.847 0.375 1.00 0.00 N ATOM 395 CA LEU A 26 -7.595 3.905 -0.414 1.00 0.00 C ATOM 396 C LEU A 26 -6.376 4.382 0.378 1.00 0.00 C ATOM 397 O LEU A 26 -5.328 4.652 -0.176 1.00 0.00 O ATOM 398 CB LEU A 26 -8.535 5.085 -0.686 1.00 0.00 C ATOM 399 CG LEU A 26 -8.336 5.558 -2.128 1.00 0.00 C ATOM 400 CD1 LEU A 26 -9.456 6.528 -2.507 1.00 0.00 C ATOM 401 CD2 LEU A 26 -6.986 6.270 -2.250 1.00 0.00 C ATOM 0 H LEU A 26 -9.255 3.032 0.622 1.00 0.00 H new ATOM 0 HA LEU A 26 -7.287 3.495 -1.376 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -9.571 4.785 -0.528 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -8.329 5.899 0.009 1.00 0.00 H new ATOM 0 HG LEU A 26 -8.357 4.698 -2.797 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -9.314 6.865 -3.534 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -10.419 6.024 -2.420 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -9.435 7.388 -1.837 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.844 6.607 -3.277 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.966 7.129 -1.580 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.186 5.581 -1.980 1.00 0.00 H new ATOM 413 N SER A 27 -6.505 4.481 1.675 1.00 0.00 N ATOM 414 CA SER A 27 -5.355 4.930 2.511 1.00 0.00 C ATOM 415 C SER A 27 -4.666 3.720 3.153 1.00 0.00 C ATOM 416 O SER A 27 -4.143 3.802 4.247 1.00 0.00 O ATOM 417 CB SER A 27 -5.863 5.859 3.610 1.00 0.00 C ATOM 418 OG SER A 27 -5.428 7.186 3.341 1.00 0.00 O ATOM 0 H SER A 27 -7.359 4.270 2.191 1.00 0.00 H new ATOM 0 HA SER A 27 -4.639 5.456 1.879 1.00 0.00 H new ATOM 0 HB2 SER A 27 -6.951 5.823 3.658 1.00 0.00 H new ATOM 0 HB3 SER A 27 -5.490 5.531 4.580 1.00 0.00 H new ATOM 0 HG SER A 27 -5.754 7.786 4.044 1.00 0.00 H new ATOM 424 N GLY A 28 -4.653 2.601 2.484 1.00 0.00 N ATOM 425 CA GLY A 28 -3.987 1.394 3.060 1.00 0.00 C ATOM 426 C GLY A 28 -2.626 1.229 2.398 1.00 0.00 C ATOM 427 O GLY A 28 -1.610 1.056 3.042 1.00 0.00 O ATOM 0 H GLY A 28 -5.073 2.468 1.564 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.873 1.503 4.138 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.599 0.508 2.893 1.00 0.00 H new ATOM 431 N ILE A 29 -2.623 1.289 1.102 1.00 0.00 N ATOM 432 CA ILE A 29 -1.376 1.147 0.321 1.00 0.00 C ATOM 433 C ILE A 29 -0.337 2.145 0.803 1.00 0.00 C ATOM 434 O ILE A 29 0.848 1.894 0.772 1.00 0.00 O ATOM 435 CB ILE A 29 -1.722 1.464 -1.116 1.00 0.00 C ATOM 436 CG1 ILE A 29 -0.473 1.274 -1.993 1.00 0.00 C ATOM 437 CG2 ILE A 29 -2.252 2.899 -1.184 1.00 0.00 C ATOM 438 CD1 ILE A 29 -0.259 2.488 -2.898 1.00 0.00 C ATOM 0 H ILE A 29 -3.460 1.435 0.537 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.970 0.141 0.431 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.495 0.792 -1.490 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.403 1.127 -1.361 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.582 0.376 -2.601 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.507 3.144 -2.215 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.141 2.989 -0.559 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -1.486 3.587 -0.826 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.630 2.333 -3.510 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.127 2.617 -3.544 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.127 3.380 -2.285 1.00 0.00 H new ATOM 450 N TYR A 30 -0.773 3.285 1.226 1.00 0.00 N ATOM 451 CA TYR A 30 0.188 4.319 1.696 1.00 0.00 C ATOM 452 C TYR A 30 0.862 3.852 2.985 1.00 0.00 C ATOM 453 O TYR A 30 2.070 3.885 3.110 1.00 0.00 O ATOM 454 CB TYR A 30 -0.565 5.623 1.945 1.00 0.00 C ATOM 455 CG TYR A 30 -1.449 5.885 0.757 1.00 0.00 C ATOM 456 CD1 TYR A 30 -0.962 5.652 -0.528 1.00 0.00 C ATOM 457 CD2 TYR A 30 -2.757 6.332 0.938 1.00 0.00 C ATOM 458 CE1 TYR A 30 -1.780 5.867 -1.637 1.00 0.00 C ATOM 459 CE2 TYR A 30 -3.581 6.547 -0.173 1.00 0.00 C ATOM 460 CZ TYR A 30 -3.092 6.315 -1.461 1.00 0.00 C ATOM 461 OH TYR A 30 -3.903 6.526 -2.557 1.00 0.00 O ATOM 0 H TYR A 30 -1.756 3.553 1.269 1.00 0.00 H new ATOM 0 HA TYR A 30 0.954 4.480 0.938 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -1.161 5.551 2.855 1.00 0.00 H new ATOM 0 HB3 TYR A 30 0.135 6.446 2.087 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.051 5.304 -0.665 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -3.134 6.512 1.934 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -1.400 5.687 -2.632 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -4.595 6.892 -0.034 1.00 0.00 H new ATOM 0 HH TYR A 30 -3.851 7.467 -2.826 1.00 0.00 H new ATOM 471 N ALA A 31 0.096 3.416 3.940 1.00 0.00 N ATOM 472 CA ALA A 31 0.699 2.948 5.218 1.00 0.00 C ATOM 473 C ALA A 31 1.445 1.629 4.984 1.00 0.00 C ATOM 474 O ALA A 31 2.284 1.236 5.770 1.00 0.00 O ATOM 475 CB ALA A 31 -0.408 2.731 6.251 1.00 0.00 C ATOM 0 H ALA A 31 -0.922 3.363 3.893 1.00 0.00 H new ATOM 0 HA ALA A 31 1.400 3.698 5.584 1.00 0.00 H new ATOM 0 HB1 ALA A 31 0.031 2.388 7.188 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -0.937 3.669 6.420 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -1.108 1.981 5.882 1.00 0.00 H new ATOM 481 N HIS A 32 1.146 0.941 3.914 1.00 0.00 N ATOM 482 CA HIS A 32 1.840 -0.349 3.642 1.00 0.00 C ATOM 483 C HIS A 32 3.239 -0.080 3.086 1.00 0.00 C ATOM 484 O HIS A 32 4.231 -0.579 3.575 1.00 0.00 O ATOM 485 CB HIS A 32 1.046 -1.137 2.602 1.00 0.00 C ATOM 486 CG HIS A 32 1.796 -2.396 2.282 1.00 0.00 C ATOM 487 ND1 HIS A 32 1.298 -3.657 2.570 1.00 0.00 N ATOM 488 CD2 HIS A 32 3.026 -2.599 1.710 1.00 0.00 C ATOM 489 CE1 HIS A 32 2.217 -4.555 2.170 1.00 0.00 C ATOM 490 NE2 HIS A 32 3.291 -3.963 1.639 1.00 0.00 N ATOM 0 H HIS A 32 0.453 1.217 3.219 1.00 0.00 H new ATOM 0 HA HIS A 32 1.916 -0.915 4.570 1.00 0.00 H new ATOM 0 HB2 HIS A 32 0.053 -1.375 2.984 1.00 0.00 H new ATOM 0 HB3 HIS A 32 0.906 -0.540 1.701 1.00 0.00 H new ATOM 0 HD2 HIS A 32 3.689 -1.818 1.367 1.00 0.00 H new ATOM 0 HE1 HIS A 32 2.101 -5.624 2.266 1.00 0.00 H new ATOM 0 HE2 HIS A 32 4.125 -4.414 1.263 1.00 0.00 H new ATOM 498 N ILE A 33 3.300 0.693 2.044 1.00 0.00 N ATOM 499 CA ILE A 33 4.599 1.019 1.386 1.00 0.00 C ATOM 500 C ILE A 33 5.561 1.682 2.374 1.00 0.00 C ATOM 501 O ILE A 33 6.764 1.546 2.272 1.00 0.00 O ATOM 502 CB ILE A 33 4.310 1.986 0.239 1.00 0.00 C ATOM 503 CG1 ILE A 33 5.468 1.971 -0.759 1.00 0.00 C ATOM 504 CG2 ILE A 33 4.125 3.402 0.788 1.00 0.00 C ATOM 505 CD1 ILE A 33 5.315 3.146 -1.728 1.00 0.00 C ATOM 0 H ILE A 33 2.486 1.125 1.607 1.00 0.00 H new ATOM 0 HA ILE A 33 5.065 0.103 1.023 1.00 0.00 H new ATOM 0 HB ILE A 33 3.396 1.673 -0.266 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.419 2.041 -0.231 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.477 1.030 -1.309 1.00 0.00 H new ATOM 0 HG21 ILE A 33 3.919 4.087 -0.034 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.290 3.414 1.488 1.00 0.00 H new ATOM 0 HG23 ILE A 33 5.034 3.715 1.302 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.139 3.139 -2.441 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.370 3.055 -2.264 1.00 0.00 H new ATOM 0 HD13 ILE A 33 5.327 4.082 -1.170 1.00 0.00 H new ATOM 517 N THR A 34 5.042 2.426 3.301 1.00 0.00 N ATOM 518 CA THR A 34 5.928 3.132 4.273 1.00 0.00 C ATOM 519 C THR A 34 6.824 2.122 4.993 1.00 0.00 C ATOM 520 O THR A 34 7.834 2.476 5.569 1.00 0.00 O ATOM 521 CB THR A 34 5.066 3.874 5.296 1.00 0.00 C ATOM 522 OG1 THR A 34 4.095 2.983 5.829 1.00 0.00 O ATOM 523 CG2 THR A 34 4.369 5.052 4.615 1.00 0.00 C ATOM 0 H THR A 34 4.042 2.580 3.433 1.00 0.00 H new ATOM 0 HA THR A 34 6.556 3.844 3.737 1.00 0.00 H new ATOM 0 HB THR A 34 5.695 4.247 6.104 1.00 0.00 H new ATOM 0 HG1 THR A 34 3.542 3.456 6.486 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.754 5.581 5.343 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.118 5.732 4.209 1.00 0.00 H new ATOM 0 HG23 THR A 34 3.737 4.683 3.807 1.00 0.00 H new ATOM 531 N LYS A 35 6.473 0.868 4.962 1.00 0.00 N ATOM 532 CA LYS A 35 7.313 -0.158 5.638 1.00 0.00 C ATOM 533 C LYS A 35 8.416 -0.631 4.684 1.00 0.00 C ATOM 534 O LYS A 35 9.489 -1.015 5.105 1.00 0.00 O ATOM 535 CB LYS A 35 6.442 -1.347 6.045 1.00 0.00 C ATOM 536 CG LYS A 35 7.126 -2.113 7.178 1.00 0.00 C ATOM 537 CD LYS A 35 7.356 -3.562 6.748 1.00 0.00 C ATOM 538 CE LYS A 35 6.613 -4.501 7.700 1.00 0.00 C ATOM 539 NZ LYS A 35 7.593 -5.392 8.383 1.00 0.00 N ATOM 0 H LYS A 35 5.639 0.509 4.497 1.00 0.00 H new ATOM 0 HA LYS A 35 7.768 0.278 6.528 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.460 -1.000 6.367 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.283 -2.005 5.191 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.076 -1.642 7.428 1.00 0.00 H new ATOM 0 HG3 LYS A 35 6.509 -2.083 8.076 1.00 0.00 H new ATOM 0 HD2 LYS A 35 7.005 -3.710 5.727 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.422 -3.789 6.754 1.00 0.00 H new ATOM 0 HE2 LYS A 35 6.056 -3.923 8.437 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.887 -5.097 7.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.089 -6.031 9.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 8.106 -5.953 7.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.269 -4.815 8.923 1.00 0.00 H new ATOM 553 N HIS A 36 8.157 -0.616 3.404 1.00 0.00 N ATOM 554 CA HIS A 36 9.189 -1.072 2.427 1.00 0.00 C ATOM 555 C HIS A 36 10.040 0.119 1.974 1.00 0.00 C ATOM 556 O HIS A 36 11.148 0.308 2.438 1.00 0.00 O ATOM 557 CB HIS A 36 8.498 -1.703 1.215 1.00 0.00 C ATOM 558 CG HIS A 36 7.549 -2.770 1.683 1.00 0.00 C ATOM 559 ND1 HIS A 36 7.869 -4.118 1.637 1.00 0.00 N ATOM 560 CD2 HIS A 36 6.283 -2.702 2.209 1.00 0.00 C ATOM 561 CE1 HIS A 36 6.815 -4.801 2.123 1.00 0.00 C ATOM 562 NE2 HIS A 36 5.820 -3.985 2.486 1.00 0.00 N ATOM 0 H HIS A 36 7.276 -0.308 2.992 1.00 0.00 H new ATOM 0 HA HIS A 36 9.835 -1.810 2.903 1.00 0.00 H new ATOM 0 HB2 HIS A 36 7.958 -0.941 0.653 1.00 0.00 H new ATOM 0 HB3 HIS A 36 9.240 -2.131 0.541 1.00 0.00 H new ATOM 0 HD2 HIS A 36 5.730 -1.791 2.382 1.00 0.00 H new ATOM 0 HE1 HIS A 36 6.778 -5.877 2.209 1.00 0.00 H new ATOM 0 HE2 HIS A 36 4.917 -4.246 2.881 1.00 0.00 H new ATOM 570 N TYR A 37 9.538 0.927 1.077 1.00 0.00 N ATOM 571 CA TYR A 37 10.331 2.101 0.612 1.00 0.00 C ATOM 572 C TYR A 37 10.211 3.219 1.658 1.00 0.00 C ATOM 573 O TYR A 37 9.124 3.687 1.931 1.00 0.00 O ATOM 574 CB TYR A 37 9.786 2.592 -0.735 1.00 0.00 C ATOM 575 CG TYR A 37 9.254 1.428 -1.526 1.00 0.00 C ATOM 576 CD1 TYR A 37 9.963 0.226 -1.565 1.00 0.00 C ATOM 577 CD2 TYR A 37 8.043 1.551 -2.211 1.00 0.00 C ATOM 578 CE1 TYR A 37 9.461 -0.857 -2.294 1.00 0.00 C ATOM 579 CE2 TYR A 37 7.536 0.468 -2.938 1.00 0.00 C ATOM 580 CZ TYR A 37 8.246 -0.737 -2.980 1.00 0.00 C ATOM 581 OH TYR A 37 7.744 -1.806 -3.693 1.00 0.00 O ATOM 0 H TYR A 37 8.618 0.825 0.649 1.00 0.00 H new ATOM 0 HA TYR A 37 11.376 1.819 0.488 1.00 0.00 H new ATOM 0 HB2 TYR A 37 8.995 3.324 -0.572 1.00 0.00 H new ATOM 0 HB3 TYR A 37 10.575 3.094 -1.295 1.00 0.00 H new ATOM 0 HD1 TYR A 37 10.898 0.132 -1.033 1.00 0.00 H new ATOM 0 HD2 TYR A 37 7.497 2.483 -2.180 1.00 0.00 H new ATOM 0 HE1 TYR A 37 10.011 -1.786 -2.328 1.00 0.00 H new ATOM 0 HE2 TYR A 37 6.598 0.562 -3.466 1.00 0.00 H new ATOM 0 HH TYR A 37 7.758 -1.596 -4.650 1.00 0.00 H new ATOM 591 N PRO A 38 11.330 3.607 2.222 1.00 0.00 N ATOM 592 CA PRO A 38 11.372 4.659 3.256 1.00 0.00 C ATOM 593 C PRO A 38 11.219 6.048 2.631 1.00 0.00 C ATOM 594 O PRO A 38 11.288 7.053 3.312 1.00 0.00 O ATOM 595 CB PRO A 38 12.757 4.492 3.885 1.00 0.00 C ATOM 596 CG PRO A 38 13.626 3.759 2.837 1.00 0.00 C ATOM 597 CD PRO A 38 12.652 3.043 1.884 1.00 0.00 C ATOM 0 HA PRO A 38 10.564 4.570 3.982 1.00 0.00 H new ATOM 0 HB2 PRO A 38 13.188 5.461 4.138 1.00 0.00 H new ATOM 0 HB3 PRO A 38 12.697 3.918 4.810 1.00 0.00 H new ATOM 0 HG2 PRO A 38 14.254 4.464 2.292 1.00 0.00 H new ATOM 0 HG3 PRO A 38 14.293 3.044 3.318 1.00 0.00 H new ATOM 0 HD2 PRO A 38 12.908 3.228 0.841 1.00 0.00 H new ATOM 0 HD3 PRO A 38 12.673 1.963 2.031 1.00 0.00 H new ATOM 605 N TYR A 39 11.012 6.118 1.346 1.00 0.00 N ATOM 606 CA TYR A 39 10.855 7.448 0.695 1.00 0.00 C ATOM 607 C TYR A 39 9.377 7.847 0.702 1.00 0.00 C ATOM 608 O TYR A 39 9.039 9.008 0.810 1.00 0.00 O ATOM 609 CB TYR A 39 11.359 7.379 -0.748 1.00 0.00 C ATOM 610 CG TYR A 39 11.372 8.768 -1.342 1.00 0.00 C ATOM 611 CD1 TYR A 39 12.397 9.662 -1.012 1.00 0.00 C ATOM 612 CD2 TYR A 39 10.356 9.162 -2.221 1.00 0.00 C ATOM 613 CE1 TYR A 39 12.406 10.950 -1.561 1.00 0.00 C ATOM 614 CE2 TYR A 39 10.366 10.450 -2.771 1.00 0.00 C ATOM 615 CZ TYR A 39 11.392 11.343 -2.440 1.00 0.00 C ATOM 616 OH TYR A 39 11.401 12.613 -2.980 1.00 0.00 O ATOM 0 H TYR A 39 10.945 5.315 0.720 1.00 0.00 H new ATOM 0 HA TYR A 39 11.436 8.190 1.244 1.00 0.00 H new ATOM 0 HB2 TYR A 39 12.361 6.951 -0.775 1.00 0.00 H new ATOM 0 HB3 TYR A 39 10.717 6.725 -1.338 1.00 0.00 H new ATOM 0 HD1 TYR A 39 13.181 9.358 -0.334 1.00 0.00 H new ATOM 0 HD2 TYR A 39 9.564 8.473 -2.475 1.00 0.00 H new ATOM 0 HE1 TYR A 39 13.196 11.640 -1.305 1.00 0.00 H new ATOM 0 HE2 TYR A 39 9.583 10.754 -3.450 1.00 0.00 H new ATOM 0 HH TYR A 39 12.326 12.926 -3.064 1.00 0.00 H new ATOM 626 N TYR A 40 8.494 6.892 0.583 1.00 0.00 N ATOM 627 CA TYR A 40 7.040 7.220 0.580 1.00 0.00 C ATOM 628 C TYR A 40 6.495 7.178 2.009 1.00 0.00 C ATOM 629 O TYR A 40 5.986 6.172 2.463 1.00 0.00 O ATOM 630 CB TYR A 40 6.294 6.208 -0.299 1.00 0.00 C ATOM 631 CG TYR A 40 6.419 6.615 -1.752 1.00 0.00 C ATOM 632 CD1 TYR A 40 7.378 7.564 -2.134 1.00 0.00 C ATOM 633 CD2 TYR A 40 5.576 6.049 -2.717 1.00 0.00 C ATOM 634 CE1 TYR A 40 7.492 7.948 -3.470 1.00 0.00 C ATOM 635 CE2 TYR A 40 5.693 6.433 -4.059 1.00 0.00 C ATOM 636 CZ TYR A 40 6.651 7.383 -4.434 1.00 0.00 C ATOM 637 OH TYR A 40 6.766 7.765 -5.754 1.00 0.00 O ATOM 0 H TYR A 40 8.716 5.901 0.488 1.00 0.00 H new ATOM 0 HA TYR A 40 6.893 8.223 0.179 1.00 0.00 H new ATOM 0 HB2 TYR A 40 6.706 5.210 -0.153 1.00 0.00 H new ATOM 0 HB3 TYR A 40 5.244 6.165 -0.011 1.00 0.00 H new ATOM 0 HD1 TYR A 40 8.030 7.999 -1.391 1.00 0.00 H new ATOM 0 HD2 TYR A 40 4.837 5.317 -2.427 1.00 0.00 H new ATOM 0 HE1 TYR A 40 8.230 8.682 -3.760 1.00 0.00 H new ATOM 0 HE2 TYR A 40 5.045 5.997 -4.804 1.00 0.00 H new ATOM 0 HH TYR A 40 5.883 8.009 -6.102 1.00 0.00 H new ATOM 647 N ARG A 41 6.595 8.269 2.719 1.00 0.00 N ATOM 648 CA ARG A 41 6.082 8.302 4.117 1.00 0.00 C ATOM 649 C ARG A 41 5.744 9.746 4.496 1.00 0.00 C ATOM 650 O ARG A 41 4.759 10.011 5.155 1.00 0.00 O ATOM 651 CB ARG A 41 7.154 7.762 5.068 1.00 0.00 C ATOM 652 CG ARG A 41 8.531 8.252 4.620 1.00 0.00 C ATOM 653 CD ARG A 41 9.583 7.836 5.650 1.00 0.00 C ATOM 654 NE ARG A 41 10.648 8.875 5.720 1.00 0.00 N ATOM 655 CZ ARG A 41 11.736 8.651 6.405 1.00 0.00 C ATOM 656 NH1 ARG A 41 12.595 7.760 5.991 1.00 0.00 N ATOM 657 NH2 ARG A 41 11.966 9.315 7.504 1.00 0.00 N ATOM 0 H ARG A 41 7.011 9.140 2.390 1.00 0.00 H new ATOM 0 HA ARG A 41 5.187 7.684 4.193 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.952 8.095 6.086 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.130 6.672 5.078 1.00 0.00 H new ATOM 0 HG2 ARG A 41 8.777 7.834 3.644 1.00 0.00 H new ATOM 0 HG3 ARG A 41 8.524 9.336 4.510 1.00 0.00 H new ATOM 0 HD2 ARG A 41 9.119 7.709 6.628 1.00 0.00 H new ATOM 0 HD3 ARG A 41 10.016 6.874 5.375 1.00 0.00 H new ATOM 0 HE ARG A 41 10.527 9.762 5.232 1.00 0.00 H new ATOM 0 HH11 ARG A 41 12.416 7.239 5.132 1.00 0.00 H new ATOM 0 HH12 ARG A 41 13.446 7.584 6.526 1.00 0.00 H new ATOM 0 HH21 ARG A 41 11.295 10.011 7.829 1.00 0.00 H new ATOM 0 HH22 ARG A 41 12.817 9.138 8.038 1.00 0.00 H new ATOM 671 N THR A 42 6.555 10.683 4.081 1.00 0.00 N ATOM 672 CA THR A 42 6.283 12.111 4.413 1.00 0.00 C ATOM 673 C THR A 42 7.238 13.008 3.622 1.00 0.00 C ATOM 674 O THR A 42 7.937 13.830 4.180 1.00 0.00 O ATOM 675 CB THR A 42 6.497 12.337 5.911 1.00 0.00 C ATOM 676 OG1 THR A 42 6.475 13.732 6.185 1.00 0.00 O ATOM 677 CG2 THR A 42 7.849 11.755 6.327 1.00 0.00 C ATOM 0 H THR A 42 7.395 10.520 3.526 1.00 0.00 H new ATOM 0 HA THR A 42 5.253 12.355 4.152 1.00 0.00 H new ATOM 0 HB THR A 42 5.703 11.843 6.472 1.00 0.00 H new ATOM 0 HG1 THR A 42 7.230 14.166 5.735 1.00 0.00 H new ATOM 0 HG21 THR A 42 8.002 11.916 7.394 1.00 0.00 H new ATOM 0 HG22 THR A 42 7.866 10.686 6.115 1.00 0.00 H new ATOM 0 HG23 THR A 42 8.645 12.248 5.768 1.00 0.00 H new ATOM 685 N ALA A 43 7.274 12.856 2.326 1.00 0.00 N ATOM 686 CA ALA A 43 8.186 13.700 1.504 1.00 0.00 C ATOM 687 C ALA A 43 7.363 14.662 0.646 1.00 0.00 C ATOM 688 O ALA A 43 7.399 15.862 0.832 1.00 0.00 O ATOM 689 CB ALA A 43 9.027 12.802 0.595 1.00 0.00 C ATOM 0 H ALA A 43 6.712 12.185 1.802 1.00 0.00 H new ATOM 0 HA ALA A 43 8.841 14.272 2.162 1.00 0.00 H new ATOM 0 HB1 ALA A 43 9.695 13.418 -0.007 1.00 0.00 H new ATOM 0 HB2 ALA A 43 9.616 12.117 1.205 1.00 0.00 H new ATOM 0 HB3 ALA A 43 8.370 12.231 -0.061 1.00 0.00 H new ATOM 695 N ASP A 44 6.626 14.144 -0.298 1.00 0.00 N ATOM 696 CA ASP A 44 5.806 15.029 -1.173 1.00 0.00 C ATOM 697 C ASP A 44 4.375 14.490 -1.250 1.00 0.00 C ATOM 698 O ASP A 44 4.153 13.296 -1.287 1.00 0.00 O ATOM 699 CB ASP A 44 6.418 15.056 -2.576 1.00 0.00 C ATOM 700 CG ASP A 44 7.819 15.665 -2.508 1.00 0.00 C ATOM 701 OD1 ASP A 44 8.677 15.060 -1.886 1.00 0.00 O ATOM 702 OD2 ASP A 44 8.011 16.726 -3.078 1.00 0.00 O ATOM 0 H ASP A 44 6.556 13.147 -0.501 1.00 0.00 H new ATOM 0 HA ASP A 44 5.789 16.038 -0.760 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.468 14.046 -2.982 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.788 15.639 -3.248 1.00 0.00 H new ATOM 707 N LYS A 45 3.401 15.360 -1.278 1.00 0.00 N ATOM 708 CA LYS A 45 1.989 14.895 -1.360 1.00 0.00 C ATOM 709 C LYS A 45 1.591 14.751 -2.831 1.00 0.00 C ATOM 710 O LYS A 45 1.155 15.695 -3.460 1.00 0.00 O ATOM 711 CB LYS A 45 1.075 15.917 -0.678 1.00 0.00 C ATOM 712 CG LYS A 45 -0.386 15.511 -0.881 1.00 0.00 C ATOM 713 CD LYS A 45 -1.192 15.863 0.372 1.00 0.00 C ATOM 714 CE LYS A 45 -1.996 17.139 0.118 1.00 0.00 C ATOM 715 NZ LYS A 45 -1.144 18.330 0.398 1.00 0.00 N ATOM 0 H LYS A 45 3.524 16.372 -1.248 1.00 0.00 H new ATOM 0 HA LYS A 45 1.890 13.932 -0.859 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.304 15.972 0.386 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.249 16.910 -1.093 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.800 16.024 -1.749 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.453 14.442 -1.081 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -1.862 15.043 0.629 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -0.522 16.005 1.220 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.344 17.162 -0.915 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -2.882 17.155 0.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.692 19.197 0.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.833 18.309 1.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -0.312 18.316 -0.226 1.00 0.00 H new ATOM 729 N GLY A 46 1.743 13.580 -3.386 1.00 0.00 N ATOM 730 CA GLY A 46 1.379 13.384 -4.820 1.00 0.00 C ATOM 731 C GLY A 46 0.968 11.928 -5.063 1.00 0.00 C ATOM 732 O GLY A 46 -0.104 11.653 -5.566 1.00 0.00 O ATOM 0 H GLY A 46 2.102 12.752 -2.911 1.00 0.00 H new ATOM 0 HA2 GLY A 46 0.561 14.051 -5.090 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.225 13.643 -5.457 1.00 0.00 H new ATOM 736 N TRP A 47 1.814 10.989 -4.725 1.00 0.00 N ATOM 737 CA TRP A 47 1.473 9.557 -4.955 1.00 0.00 C ATOM 738 C TRP A 47 0.178 9.191 -4.226 1.00 0.00 C ATOM 739 O TRP A 47 -0.405 8.154 -4.473 1.00 0.00 O ATOM 740 CB TRP A 47 2.609 8.667 -4.448 1.00 0.00 C ATOM 741 CG TRP A 47 2.706 8.745 -2.954 1.00 0.00 C ATOM 742 CD1 TRP A 47 2.933 9.877 -2.242 1.00 0.00 C ATOM 743 CD2 TRP A 47 2.600 7.667 -1.977 1.00 0.00 C ATOM 744 NE1 TRP A 47 2.978 9.561 -0.900 1.00 0.00 N ATOM 745 CE2 TRP A 47 2.779 8.215 -0.684 1.00 0.00 C ATOM 746 CE3 TRP A 47 2.369 6.280 -2.082 1.00 0.00 C ATOM 747 CZ2 TRP A 47 2.738 7.421 0.460 1.00 0.00 C ATOM 748 CZ3 TRP A 47 2.328 5.481 -0.929 1.00 0.00 C ATOM 749 CH2 TRP A 47 2.514 6.051 0.339 1.00 0.00 C ATOM 0 H TRP A 47 2.726 11.154 -4.300 1.00 0.00 H new ATOM 0 HA TRP A 47 1.334 9.401 -6.025 1.00 0.00 H new ATOM 0 HB2 TRP A 47 2.436 7.635 -4.754 1.00 0.00 H new ATOM 0 HB3 TRP A 47 3.552 8.979 -4.897 1.00 0.00 H new ATOM 0 HD1 TRP A 47 3.058 10.866 -2.658 1.00 0.00 H new ATOM 0 HE1 TRP A 47 3.139 10.242 -0.157 1.00 0.00 H new ATOM 0 HE3 TRP A 47 2.223 5.831 -3.053 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 2.879 7.865 1.435 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 2.152 4.419 -1.019 1.00 0.00 H new ATOM 0 HH2 TRP A 47 2.484 5.428 1.221 1.00 0.00 H new ATOM 760 N GLN A 48 -0.285 10.025 -3.338 1.00 0.00 N ATOM 761 CA GLN A 48 -1.546 9.703 -2.617 1.00 0.00 C ATOM 762 C GLN A 48 -2.672 9.506 -3.637 1.00 0.00 C ATOM 763 O GLN A 48 -3.182 8.416 -3.810 1.00 0.00 O ATOM 764 CB GLN A 48 -1.904 10.851 -1.672 1.00 0.00 C ATOM 765 CG GLN A 48 -0.713 11.154 -0.761 1.00 0.00 C ATOM 766 CD GLN A 48 -0.399 9.925 0.092 1.00 0.00 C ATOM 767 OE1 GLN A 48 -0.688 9.901 1.273 1.00 0.00 O ATOM 768 NE2 GLN A 48 0.182 8.894 -0.459 1.00 0.00 N ATOM 0 H GLN A 48 0.152 10.910 -3.082 1.00 0.00 H new ATOM 0 HA GLN A 48 -1.414 8.790 -2.037 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -2.171 11.738 -2.246 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -2.775 10.585 -1.073 1.00 0.00 H new ATOM 0 HG2 GLN A 48 0.156 11.426 -1.359 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -0.939 12.007 -0.120 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.424 8.914 -1.450 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.394 8.068 0.101 1.00 0.00 H new ATOM 777 N ASN A 49 -3.062 10.552 -4.316 1.00 0.00 N ATOM 778 CA ASN A 49 -4.152 10.426 -5.330 1.00 0.00 C ATOM 779 C ASN A 49 -3.633 9.670 -6.554 1.00 0.00 C ATOM 780 O ASN A 49 -4.356 8.918 -7.178 1.00 0.00 O ATOM 781 CB ASN A 49 -4.622 11.820 -5.749 1.00 0.00 C ATOM 782 CG ASN A 49 -5.977 11.713 -6.452 1.00 0.00 C ATOM 783 OD1 ASN A 49 -7.006 11.655 -5.807 1.00 0.00 O ATOM 784 ND2 ASN A 49 -6.022 11.686 -7.756 1.00 0.00 N ATOM 0 H ASN A 49 -2.673 11.489 -4.213 1.00 0.00 H new ATOM 0 HA ASN A 49 -4.987 9.876 -4.896 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -4.704 12.466 -4.875 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -3.890 12.277 -6.415 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -6.920 11.616 -8.234 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -5.159 11.735 -8.297 1.00 0.00 H new ATOM 791 N SER A 50 -2.391 9.852 -6.904 1.00 0.00 N ATOM 792 CA SER A 50 -1.850 9.127 -8.089 1.00 0.00 C ATOM 793 C SER A 50 -2.040 7.628 -7.877 1.00 0.00 C ATOM 794 O SER A 50 -2.176 6.872 -8.814 1.00 0.00 O ATOM 795 CB SER A 50 -0.359 9.427 -8.263 1.00 0.00 C ATOM 796 OG SER A 50 0.399 8.448 -7.566 1.00 0.00 O ATOM 0 H SER A 50 -1.731 10.466 -6.426 1.00 0.00 H new ATOM 0 HA SER A 50 -2.381 9.454 -8.983 1.00 0.00 H new ATOM 0 HB2 SER A 50 -0.096 9.423 -9.321 1.00 0.00 H new ATOM 0 HB3 SER A 50 -0.129 10.422 -7.881 1.00 0.00 H new ATOM 0 HG SER A 50 1.288 8.373 -7.972 1.00 0.00 H new ATOM 802 N ILE A 51 -2.049 7.197 -6.645 1.00 0.00 N ATOM 803 CA ILE A 51 -2.231 5.748 -6.357 1.00 0.00 C ATOM 804 C ILE A 51 -3.680 5.357 -6.661 1.00 0.00 C ATOM 805 O ILE A 51 -3.931 4.506 -7.484 1.00 0.00 O ATOM 806 CB ILE A 51 -1.881 5.487 -4.875 1.00 0.00 C ATOM 807 CG1 ILE A 51 -0.406 5.065 -4.727 1.00 0.00 C ATOM 808 CG2 ILE A 51 -2.753 4.369 -4.302 1.00 0.00 C ATOM 809 CD1 ILE A 51 0.430 5.584 -5.896 1.00 0.00 C ATOM 0 H ILE A 51 -1.937 7.790 -5.823 1.00 0.00 H new ATOM 0 HA ILE A 51 -1.573 5.143 -6.981 1.00 0.00 H new ATOM 0 HB ILE A 51 -2.059 6.415 -4.332 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.006 5.450 -3.789 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.338 3.978 -4.680 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -2.490 4.201 -3.258 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -3.803 4.655 -4.371 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.589 3.453 -4.869 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.467 5.273 -5.768 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.042 5.177 -6.830 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.379 6.672 -5.925 1.00 0.00 H new ATOM 821 N ARG A 52 -4.634 5.975 -6.017 1.00 0.00 N ATOM 822 CA ARG A 52 -6.055 5.625 -6.302 1.00 0.00 C ATOM 823 C ARG A 52 -6.264 5.653 -7.813 1.00 0.00 C ATOM 824 O ARG A 52 -7.079 4.935 -8.358 1.00 0.00 O ATOM 825 CB ARG A 52 -6.983 6.647 -5.641 1.00 0.00 C ATOM 826 CG ARG A 52 -8.401 6.488 -6.198 1.00 0.00 C ATOM 827 CD ARG A 52 -8.765 7.721 -7.026 1.00 0.00 C ATOM 828 NE ARG A 52 -9.843 8.484 -6.336 1.00 0.00 N ATOM 829 CZ ARG A 52 -10.608 9.291 -7.018 1.00 0.00 C ATOM 830 NH1 ARG A 52 -10.122 9.946 -8.035 1.00 0.00 N ATOM 831 NH2 ARG A 52 -11.861 9.444 -6.681 1.00 0.00 N ATOM 0 H ARG A 52 -4.493 6.700 -5.313 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.281 4.635 -5.907 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -6.988 6.504 -4.560 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -6.619 7.658 -5.827 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -8.462 5.591 -6.815 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -9.112 6.362 -5.381 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -7.887 8.353 -7.161 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -9.097 7.420 -8.019 1.00 0.00 H new ATOM 0 HE ARG A 52 -9.983 8.375 -5.331 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -9.144 9.827 -8.297 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -10.720 10.577 -8.568 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -12.241 8.932 -5.885 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -12.459 10.075 -7.214 1.00 0.00 H new ATOM 845 N HIS A 53 -5.520 6.480 -8.486 1.00 0.00 N ATOM 846 CA HIS A 53 -5.642 6.575 -9.963 1.00 0.00 C ATOM 847 C HIS A 53 -4.982 5.348 -10.606 1.00 0.00 C ATOM 848 O HIS A 53 -5.466 4.805 -11.580 1.00 0.00 O ATOM 849 CB HIS A 53 -4.936 7.852 -10.424 1.00 0.00 C ATOM 850 CG HIS A 53 -5.720 8.497 -11.533 1.00 0.00 C ATOM 851 ND1 HIS A 53 -5.344 8.393 -12.861 1.00 0.00 N ATOM 852 CD2 HIS A 53 -6.861 9.262 -11.524 1.00 0.00 C ATOM 853 CE1 HIS A 53 -6.241 9.080 -13.591 1.00 0.00 C ATOM 854 NE2 HIS A 53 -7.187 9.629 -12.825 1.00 0.00 N ATOM 0 H HIS A 53 -4.825 7.101 -8.071 1.00 0.00 H new ATOM 0 HA HIS A 53 -6.691 6.606 -10.258 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -4.835 8.544 -9.588 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -3.929 7.617 -10.768 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -7.420 9.536 -10.641 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -6.201 9.176 -14.666 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -7.979 10.196 -13.129 1.00 0.00 H new ATOM 862 N ASN A 54 -3.875 4.916 -10.066 1.00 0.00 N ATOM 863 CA ASN A 54 -3.162 3.732 -10.629 1.00 0.00 C ATOM 864 C ASN A 54 -3.948 2.443 -10.356 1.00 0.00 C ATOM 865 O ASN A 54 -3.773 1.451 -11.037 1.00 0.00 O ATOM 866 CB ASN A 54 -1.781 3.626 -9.983 1.00 0.00 C ATOM 867 CG ASN A 54 -0.993 4.909 -10.254 1.00 0.00 C ATOM 868 OD1 ASN A 54 -1.020 5.433 -11.350 1.00 0.00 O ATOM 869 ND2 ASN A 54 -0.286 5.439 -9.296 1.00 0.00 N ATOM 0 H ASN A 54 -3.429 5.337 -9.251 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.067 3.860 -11.707 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -1.881 3.468 -8.909 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -1.245 2.766 -10.384 1.00 0.00 H new ATOM 0 HD21 ASN A 54 0.244 6.293 -9.466 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.263 4.999 -8.376 1.00 0.00 H new ATOM 876 N LEU A 55 -4.803 2.433 -9.366 1.00 0.00 N ATOM 877 CA LEU A 55 -5.572 1.185 -9.072 1.00 0.00 C ATOM 878 C LEU A 55 -6.654 0.982 -10.138 1.00 0.00 C ATOM 879 O LEU A 55 -6.886 -0.120 -10.595 1.00 0.00 O ATOM 880 CB LEU A 55 -6.228 1.276 -7.688 1.00 0.00 C ATOM 881 CG LEU A 55 -5.366 2.127 -6.752 1.00 0.00 C ATOM 882 CD1 LEU A 55 -5.934 2.074 -5.337 1.00 0.00 C ATOM 883 CD2 LEU A 55 -3.934 1.589 -6.755 1.00 0.00 C ATOM 0 H LEU A 55 -5.001 3.225 -8.754 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.884 0.339 -9.083 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.223 1.713 -7.777 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.355 0.277 -7.271 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.367 3.161 -7.097 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.317 2.681 -4.674 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.953 2.460 -5.339 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.938 1.042 -4.985 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.317 2.193 -6.089 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.933 0.555 -6.412 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.530 1.636 -7.766 1.00 0.00 H new ATOM 895 N SER A 56 -7.323 2.031 -10.536 1.00 0.00 N ATOM 896 CA SER A 56 -8.391 1.886 -11.569 1.00 0.00 C ATOM 897 C SER A 56 -7.796 2.070 -12.969 1.00 0.00 C ATOM 898 O SER A 56 -8.449 1.828 -13.964 1.00 0.00 O ATOM 899 CB SER A 56 -9.473 2.940 -11.335 1.00 0.00 C ATOM 900 OG SER A 56 -9.732 3.049 -9.942 1.00 0.00 O ATOM 0 H SER A 56 -7.177 2.980 -10.192 1.00 0.00 H new ATOM 0 HA SER A 56 -8.826 0.889 -11.494 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.151 3.902 -11.733 1.00 0.00 H new ATOM 0 HB3 SER A 56 -10.385 2.665 -11.865 1.00 0.00 H new ATOM 0 HG SER A 56 -10.424 3.726 -9.790 1.00 0.00 H new ATOM 906 N LEU A 57 -6.568 2.501 -13.056 1.00 0.00 N ATOM 907 CA LEU A 57 -5.942 2.705 -14.396 1.00 0.00 C ATOM 908 C LEU A 57 -5.244 1.424 -14.846 1.00 0.00 C ATOM 909 O LEU A 57 -5.322 1.028 -15.992 1.00 0.00 O ATOM 910 CB LEU A 57 -4.900 3.817 -14.300 1.00 0.00 C ATOM 911 CG LEU A 57 -5.501 5.129 -14.783 1.00 0.00 C ATOM 912 CD1 LEU A 57 -6.012 4.962 -16.214 1.00 0.00 C ATOM 913 CD2 LEU A 57 -6.659 5.523 -13.865 1.00 0.00 C ATOM 0 H LEU A 57 -5.970 2.721 -12.259 1.00 0.00 H new ATOM 0 HA LEU A 57 -6.718 2.972 -15.113 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.559 3.920 -13.270 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.027 3.563 -14.901 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.740 5.909 -14.763 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.442 5.902 -16.559 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.184 4.681 -16.865 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -6.774 4.183 -16.240 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.092 6.463 -14.208 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.421 4.744 -13.885 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.291 5.644 -12.846 1.00 0.00 H new ATOM 925 N ASN A 58 -4.548 0.785 -13.952 1.00 0.00 N ATOM 926 CA ASN A 58 -3.822 -0.462 -14.323 1.00 0.00 C ATOM 927 C ASN A 58 -4.821 -1.596 -14.553 1.00 0.00 C ATOM 928 O ASN A 58 -5.852 -1.671 -13.915 1.00 0.00 O ATOM 929 CB ASN A 58 -2.851 -0.830 -13.201 1.00 0.00 C ATOM 930 CG ASN A 58 -1.671 0.147 -13.220 1.00 0.00 C ATOM 931 OD1 ASN A 58 -0.535 -0.258 -13.358 1.00 0.00 O ATOM 932 ND2 ASN A 58 -1.896 1.430 -13.092 1.00 0.00 N ATOM 0 H ASN A 58 -4.449 1.071 -12.978 1.00 0.00 H new ATOM 0 HA ASN A 58 -3.262 -0.301 -15.244 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -3.358 -0.789 -12.237 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -2.495 -1.852 -13.331 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -1.117 2.088 -13.108 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -2.850 1.771 -12.976 1.00 0.00 H new ATOM 939 N ARG A 59 -4.525 -2.473 -15.474 1.00 0.00 N ATOM 940 CA ARG A 59 -5.457 -3.598 -15.768 1.00 0.00 C ATOM 941 C ARG A 59 -5.300 -4.705 -14.722 1.00 0.00 C ATOM 942 O ARG A 59 -6.151 -5.563 -14.588 1.00 0.00 O ATOM 943 CB ARG A 59 -5.145 -4.165 -17.155 1.00 0.00 C ATOM 944 CG ARG A 59 -3.772 -4.839 -17.131 1.00 0.00 C ATOM 945 CD ARG A 59 -3.054 -4.587 -18.459 1.00 0.00 C ATOM 946 NE ARG A 59 -2.959 -3.121 -18.704 1.00 0.00 N ATOM 947 CZ ARG A 59 -2.441 -2.679 -19.817 1.00 0.00 C ATOM 948 NH1 ARG A 59 -2.801 -3.203 -20.956 1.00 0.00 N ATOM 949 NH2 ARG A 59 -1.564 -1.714 -19.790 1.00 0.00 N ATOM 0 H ARG A 59 -3.675 -2.458 -16.037 1.00 0.00 H new ATOM 0 HA ARG A 59 -6.481 -3.226 -15.740 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -5.910 -4.884 -17.447 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -5.158 -3.367 -17.898 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -3.178 -4.448 -16.305 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -3.884 -5.910 -16.964 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -2.057 -5.027 -18.435 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -3.595 -5.068 -19.274 1.00 0.00 H new ATOM 0 HE ARG A 59 -3.299 -2.463 -18.002 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -3.487 -3.958 -20.976 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -2.397 -2.858 -21.827 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -1.283 -1.305 -18.899 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -1.159 -1.368 -20.660 1.00 0.00 H new ATOM 963 N TYR A 60 -4.223 -4.708 -13.983 1.00 0.00 N ATOM 964 CA TYR A 60 -4.040 -5.779 -12.963 1.00 0.00 C ATOM 965 C TYR A 60 -4.458 -5.268 -11.584 1.00 0.00 C ATOM 966 O TYR A 60 -3.981 -5.731 -10.569 1.00 0.00 O ATOM 967 CB TYR A 60 -2.581 -6.228 -12.926 1.00 0.00 C ATOM 968 CG TYR A 60 -1.665 -5.038 -12.766 1.00 0.00 C ATOM 969 CD1 TYR A 60 -1.230 -4.342 -13.897 1.00 0.00 C ATOM 970 CD2 TYR A 60 -1.232 -4.647 -11.492 1.00 0.00 C ATOM 971 CE1 TYR A 60 -0.366 -3.251 -13.759 1.00 0.00 C ATOM 972 CE2 TYR A 60 -0.365 -3.558 -11.356 1.00 0.00 C ATOM 973 CZ TYR A 60 0.069 -2.860 -12.488 1.00 0.00 C ATOM 974 OH TYR A 60 0.926 -1.789 -12.352 1.00 0.00 O ATOM 0 H TYR A 60 -3.470 -4.023 -14.040 1.00 0.00 H new ATOM 0 HA TYR A 60 -4.666 -6.629 -13.234 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -2.430 -6.924 -12.101 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -2.336 -6.763 -13.844 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -1.561 -4.647 -14.879 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -1.567 -5.185 -10.617 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -0.035 -2.710 -14.633 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -0.030 -3.255 -10.375 1.00 0.00 H new ATOM 0 HH TYR A 60 0.457 -0.962 -12.592 1.00 0.00 H new ATOM 984 N PHE A 61 -5.361 -4.332 -11.547 1.00 0.00 N ATOM 985 CA PHE A 61 -5.847 -3.792 -10.247 1.00 0.00 C ATOM 986 C PHE A 61 -7.360 -3.575 -10.373 1.00 0.00 C ATOM 987 O PHE A 61 -7.849 -3.194 -11.417 1.00 0.00 O ATOM 988 CB PHE A 61 -5.150 -2.459 -9.942 1.00 0.00 C ATOM 989 CG PHE A 61 -3.750 -2.680 -9.377 1.00 0.00 C ATOM 990 CD1 PHE A 61 -3.363 -3.913 -8.809 1.00 0.00 C ATOM 991 CD2 PHE A 61 -2.821 -1.632 -9.430 1.00 0.00 C ATOM 992 CE1 PHE A 61 -2.066 -4.076 -8.308 1.00 0.00 C ATOM 993 CE2 PHE A 61 -1.531 -1.802 -8.927 1.00 0.00 C ATOM 994 CZ PHE A 61 -1.155 -3.022 -8.366 1.00 0.00 C ATOM 0 H PHE A 61 -5.789 -3.912 -12.372 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.626 -4.486 -9.436 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -5.087 -1.863 -10.852 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -5.746 -1.890 -9.229 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.067 -4.730 -8.761 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -3.106 -0.685 -9.864 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -1.770 -5.020 -7.876 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.823 -0.988 -8.972 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.156 -3.151 -7.976 1.00 0.00 H new ATOM 1004 N ILE A 62 -8.112 -3.830 -9.334 1.00 0.00 N ATOM 1005 CA ILE A 62 -9.595 -3.651 -9.433 1.00 0.00 C ATOM 1006 C ILE A 62 -10.192 -3.425 -8.039 1.00 0.00 C ATOM 1007 O ILE A 62 -9.513 -3.521 -7.042 1.00 0.00 O ATOM 1008 CB ILE A 62 -10.221 -4.905 -10.063 1.00 0.00 C ATOM 1009 CG1 ILE A 62 -10.330 -6.018 -9.014 1.00 0.00 C ATOM 1010 CG2 ILE A 62 -9.346 -5.393 -11.220 1.00 0.00 C ATOM 1011 CD1 ILE A 62 -10.966 -7.258 -9.645 1.00 0.00 C ATOM 0 H ILE A 62 -7.770 -4.152 -8.429 1.00 0.00 H new ATOM 0 HA ILE A 62 -9.809 -2.782 -10.056 1.00 0.00 H new ATOM 0 HB ILE A 62 -11.215 -4.655 -10.433 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -9.342 -6.262 -8.624 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -10.930 -5.679 -8.170 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -9.793 -6.282 -11.664 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -9.270 -4.610 -11.974 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -8.351 -5.635 -10.847 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -11.043 -8.048 -8.898 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -11.961 -7.009 -10.013 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -10.348 -7.602 -10.474 1.00 0.00 H new ATOM 1023 N LYS A 63 -11.463 -3.130 -7.966 1.00 0.00 N ATOM 1024 CA LYS A 63 -12.104 -2.898 -6.636 1.00 0.00 C ATOM 1025 C LYS A 63 -12.601 -4.226 -6.055 1.00 0.00 C ATOM 1026 O LYS A 63 -12.563 -5.252 -6.706 1.00 0.00 O ATOM 1027 CB LYS A 63 -13.284 -1.939 -6.803 1.00 0.00 C ATOM 1028 CG LYS A 63 -12.848 -0.732 -7.637 1.00 0.00 C ATOM 1029 CD LYS A 63 -13.276 0.556 -6.932 1.00 0.00 C ATOM 1030 CE LYS A 63 -12.039 1.284 -6.401 1.00 0.00 C ATOM 1031 NZ LYS A 63 -11.947 2.631 -7.032 1.00 0.00 N ATOM 0 H LYS A 63 -12.086 -3.039 -8.769 1.00 0.00 H new ATOM 0 HA LYS A 63 -11.372 -2.464 -5.955 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -14.115 -2.450 -7.290 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -13.640 -1.610 -5.827 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -11.767 -0.742 -7.774 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -13.295 -0.782 -8.630 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -13.820 1.199 -7.625 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -13.955 0.325 -6.111 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -12.099 1.382 -5.317 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -11.141 0.706 -6.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -11.107 3.126 -6.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -11.871 2.527 -8.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -12.799 3.181 -6.801 1.00 0.00 H new ATOM 1045 N VAL A 64 -13.065 -4.215 -4.830 1.00 0.00 N ATOM 1046 CA VAL A 64 -13.559 -5.476 -4.206 1.00 0.00 C ATOM 1047 C VAL A 64 -14.870 -5.922 -4.878 1.00 0.00 C ATOM 1048 O VAL A 64 -14.982 -7.046 -5.326 1.00 0.00 O ATOM 1049 CB VAL A 64 -13.753 -5.254 -2.692 1.00 0.00 C ATOM 1050 CG1 VAL A 64 -14.972 -6.030 -2.172 1.00 0.00 C ATOM 1051 CG2 VAL A 64 -12.505 -5.743 -1.953 1.00 0.00 C ATOM 0 H VAL A 64 -13.122 -3.387 -4.237 1.00 0.00 H new ATOM 0 HA VAL A 64 -12.826 -6.270 -4.350 1.00 0.00 H new ATOM 0 HB VAL A 64 -13.915 -4.191 -2.516 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -15.085 -5.855 -1.102 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -15.868 -5.691 -2.692 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -14.829 -7.095 -2.353 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -12.633 -5.590 -0.881 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -12.356 -6.804 -2.153 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -11.635 -5.184 -2.298 1.00 0.00 H new ATOM 1061 N PRO A 65 -15.818 -5.027 -4.920 1.00 0.00 N ATOM 1062 CA PRO A 65 -17.136 -5.288 -5.521 1.00 0.00 C ATOM 1063 C PRO A 65 -17.049 -5.225 -7.048 1.00 0.00 C ATOM 1064 O PRO A 65 -15.977 -5.196 -7.617 1.00 0.00 O ATOM 1065 CB PRO A 65 -18.009 -4.156 -4.974 1.00 0.00 C ATOM 1066 CG PRO A 65 -17.040 -3.021 -4.563 1.00 0.00 C ATOM 1067 CD PRO A 65 -15.658 -3.673 -4.373 1.00 0.00 C ATOM 0 HA PRO A 65 -17.530 -6.276 -5.282 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -18.715 -3.810 -5.729 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -18.595 -4.495 -4.120 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -17.002 -2.247 -5.330 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -17.373 -2.541 -3.642 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -14.881 -3.120 -4.901 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -15.372 -3.700 -3.322 1.00 0.00 H new ATOM 1075 N ARG A 66 -18.171 -5.209 -7.713 1.00 0.00 N ATOM 1076 CA ARG A 66 -18.154 -5.152 -9.201 1.00 0.00 C ATOM 1077 C ARG A 66 -19.231 -4.180 -9.687 1.00 0.00 C ATOM 1078 O ARG A 66 -19.908 -4.426 -10.665 1.00 0.00 O ATOM 1079 CB ARG A 66 -18.435 -6.546 -9.762 1.00 0.00 C ATOM 1080 CG ARG A 66 -19.792 -7.034 -9.249 1.00 0.00 C ATOM 1081 CD ARG A 66 -19.822 -8.563 -9.243 1.00 0.00 C ATOM 1082 NE ARG A 66 -20.867 -9.034 -8.291 1.00 0.00 N ATOM 1083 CZ ARG A 66 -20.843 -10.262 -7.847 1.00 0.00 C ATOM 1084 NH1 ARG A 66 -19.848 -10.669 -7.108 1.00 0.00 N ATOM 1085 NH2 ARG A 66 -21.816 -11.080 -8.140 1.00 0.00 N ATOM 0 H ARG A 66 -19.099 -5.233 -7.290 1.00 0.00 H new ATOM 0 HA ARG A 66 -17.177 -4.810 -9.543 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -18.434 -6.519 -10.852 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -17.649 -7.238 -9.459 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -19.970 -6.653 -8.243 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -20.591 -6.648 -9.882 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -20.032 -8.937 -10.245 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -18.847 -8.956 -8.954 1.00 0.00 H new ATOM 0 HE ARG A 66 -21.602 -8.396 -7.986 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -19.089 -10.028 -6.877 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -19.829 -11.628 -6.761 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -22.595 -10.760 -8.716 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -21.798 -12.039 -7.794 1.00 0.00 H new ATOM 1099 N SER A 67 -19.396 -3.076 -9.010 1.00 0.00 N ATOM 1100 CA SER A 67 -20.430 -2.090 -9.432 1.00 0.00 C ATOM 1101 C SER A 67 -19.768 -0.735 -9.700 1.00 0.00 C ATOM 1102 O SER A 67 -18.823 -0.356 -9.038 1.00 0.00 O ATOM 1103 CB SER A 67 -21.470 -1.938 -8.322 1.00 0.00 C ATOM 1104 OG SER A 67 -22.772 -1.951 -8.892 1.00 0.00 O ATOM 0 H SER A 67 -18.859 -2.815 -8.183 1.00 0.00 H new ATOM 0 HA SER A 67 -20.916 -2.441 -10.342 1.00 0.00 H new ATOM 0 HB2 SER A 67 -21.369 -2.748 -7.600 1.00 0.00 H new ATOM 0 HB3 SER A 67 -21.307 -1.006 -7.781 1.00 0.00 H new ATOM 0 HG SER A 67 -23.441 -1.855 -8.182 1.00 0.00 H new ATOM 1110 N GLN A 68 -20.258 0.000 -10.662 1.00 0.00 N ATOM 1111 CA GLN A 68 -19.653 1.331 -10.962 1.00 0.00 C ATOM 1112 C GLN A 68 -20.502 2.428 -10.313 1.00 0.00 C ATOM 1113 O GLN A 68 -20.855 3.406 -10.942 1.00 0.00 O ATOM 1114 CB GLN A 68 -19.605 1.552 -12.477 1.00 0.00 C ATOM 1115 CG GLN A 68 -18.187 1.291 -12.988 1.00 0.00 C ATOM 1116 CD GLN A 68 -18.196 0.077 -13.919 1.00 0.00 C ATOM 1117 OE1 GLN A 68 -19.211 -0.572 -14.080 1.00 0.00 O ATOM 1118 NE2 GLN A 68 -17.101 -0.259 -14.543 1.00 0.00 N ATOM 0 H GLN A 68 -21.048 -0.262 -11.251 1.00 0.00 H new ATOM 0 HA GLN A 68 -18.639 1.365 -10.564 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -20.310 0.886 -12.974 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -19.907 2.572 -12.716 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -17.813 2.167 -13.518 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -17.513 1.115 -12.149 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -16.249 0.286 -14.408 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -17.096 -1.066 -15.166 1.00 0.00 H new ATOM 1127 N GLU A 69 -20.832 2.269 -9.061 1.00 0.00 N ATOM 1128 CA GLU A 69 -21.658 3.300 -8.371 1.00 0.00 C ATOM 1129 C GLU A 69 -21.645 3.033 -6.863 1.00 0.00 C ATOM 1130 O GLU A 69 -22.435 2.265 -6.353 1.00 0.00 O ATOM 1131 CB GLU A 69 -23.097 3.228 -8.890 1.00 0.00 C ATOM 1132 CG GLU A 69 -23.519 1.763 -9.022 1.00 0.00 C ATOM 1133 CD GLU A 69 -25.000 1.689 -9.394 1.00 0.00 C ATOM 1134 OE1 GLU A 69 -25.823 1.843 -8.506 1.00 0.00 O ATOM 1135 OE2 GLU A 69 -25.289 1.478 -10.562 1.00 0.00 O ATOM 0 H GLU A 69 -20.566 1.470 -8.486 1.00 0.00 H new ATOM 0 HA GLU A 69 -21.249 4.291 -8.569 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -23.768 3.751 -8.208 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -23.172 3.728 -9.856 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -22.917 1.268 -9.784 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -23.342 1.237 -8.084 1.00 0.00 H new ATOM 1142 N GLU A 70 -20.751 3.659 -6.146 1.00 0.00 N ATOM 1143 CA GLU A 70 -20.690 3.436 -4.673 1.00 0.00 C ATOM 1144 C GLU A 70 -20.247 4.725 -3.975 1.00 0.00 C ATOM 1145 O GLU A 70 -19.214 4.758 -3.337 1.00 0.00 O ATOM 1146 CB GLU A 70 -19.686 2.322 -4.368 1.00 0.00 C ATOM 1147 CG GLU A 70 -20.377 1.219 -3.563 1.00 0.00 C ATOM 1148 CD GLU A 70 -19.322 0.289 -2.961 1.00 0.00 C ATOM 1149 OE1 GLU A 70 -18.734 -0.472 -3.712 1.00 0.00 O ATOM 1150 OE2 GLU A 70 -19.121 0.352 -1.759 1.00 0.00 O ATOM 0 H GLU A 70 -20.062 4.314 -6.516 1.00 0.00 H new ATOM 0 HA GLU A 70 -21.677 3.149 -4.310 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -19.287 1.914 -5.296 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -18.842 2.722 -3.807 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -20.984 1.658 -2.771 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -21.052 0.653 -4.206 1.00 0.00 H new ATOM 1157 N PRO A 71 -21.049 5.750 -4.117 1.00 0.00 N ATOM 1158 CA PRO A 71 -20.775 7.063 -3.509 1.00 0.00 C ATOM 1159 C PRO A 71 -21.143 7.050 -2.021 1.00 0.00 C ATOM 1160 O PRO A 71 -22.091 7.684 -1.601 1.00 0.00 O ATOM 1161 CB PRO A 71 -21.688 8.014 -4.288 1.00 0.00 C ATOM 1162 CG PRO A 71 -22.821 7.144 -4.883 1.00 0.00 C ATOM 1163 CD PRO A 71 -22.301 5.694 -4.899 1.00 0.00 C ATOM 0 HA PRO A 71 -19.725 7.350 -3.559 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -22.094 8.785 -3.634 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -21.135 8.524 -5.077 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -23.727 7.224 -4.282 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -23.076 7.475 -5.890 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -23.020 5.008 -4.451 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -22.120 5.347 -5.916 1.00 0.00 H new ATOM 1171 N GLY A 72 -20.400 6.332 -1.221 1.00 0.00 N ATOM 1172 CA GLY A 72 -20.710 6.280 0.236 1.00 0.00 C ATOM 1173 C GLY A 72 -19.410 6.367 1.042 1.00 0.00 C ATOM 1174 O GLY A 72 -18.549 7.177 0.761 1.00 0.00 O ATOM 0 H GLY A 72 -19.593 5.780 -1.514 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -21.373 7.102 0.506 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -21.236 5.355 0.473 1.00 0.00 H new ATOM 1178 N LYS A 73 -19.263 5.541 2.043 1.00 0.00 N ATOM 1179 CA LYS A 73 -18.020 5.581 2.867 1.00 0.00 C ATOM 1180 C LYS A 73 -17.321 4.221 2.810 1.00 0.00 C ATOM 1181 O LYS A 73 -16.787 3.748 3.794 1.00 0.00 O ATOM 1182 CB LYS A 73 -18.380 5.903 4.319 1.00 0.00 C ATOM 1183 CG LYS A 73 -19.274 7.144 4.360 1.00 0.00 C ATOM 1184 CD LYS A 73 -20.433 6.904 5.330 1.00 0.00 C ATOM 1185 CE LYS A 73 -20.159 7.640 6.642 1.00 0.00 C ATOM 1186 NZ LYS A 73 -21.314 8.524 6.963 1.00 0.00 N ATOM 0 H LYS A 73 -19.949 4.841 2.326 1.00 0.00 H new ATOM 0 HA LYS A 73 -17.353 6.349 2.475 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -18.894 5.056 4.774 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -17.474 6.075 4.900 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -18.695 8.012 4.675 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -19.658 7.362 3.364 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -21.367 7.255 4.892 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -20.550 5.837 5.517 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -20.000 6.923 7.448 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -19.247 8.231 6.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -21.130 9.026 7.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -21.445 9.216 6.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -22.175 7.949 7.061 1.00 0.00 H new ATOM 1200 N GLY A 74 -17.313 3.592 1.668 1.00 0.00 N ATOM 1201 CA GLY A 74 -16.643 2.267 1.552 1.00 0.00 C ATOM 1202 C GLY A 74 -15.606 2.322 0.428 1.00 0.00 C ATOM 1203 O GLY A 74 -15.931 2.190 -0.735 1.00 0.00 O ATOM 0 H GLY A 74 -17.742 3.938 0.810 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -16.161 2.006 2.494 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -17.380 1.491 1.345 1.00 0.00 H new ATOM 1207 N SER A 75 -14.361 2.521 0.765 1.00 0.00 N ATOM 1208 CA SER A 75 -13.306 2.591 -0.286 1.00 0.00 C ATOM 1209 C SER A 75 -12.296 1.459 -0.079 1.00 0.00 C ATOM 1210 O SER A 75 -11.219 1.665 0.442 1.00 0.00 O ATOM 1211 CB SER A 75 -12.585 3.938 -0.189 1.00 0.00 C ATOM 1212 OG SER A 75 -12.949 4.578 1.026 1.00 0.00 O ATOM 0 H SER A 75 -14.029 2.638 1.722 1.00 0.00 H new ATOM 0 HA SER A 75 -13.766 2.489 -1.269 1.00 0.00 H new ATOM 0 HB2 SER A 75 -11.506 3.790 -0.226 1.00 0.00 H new ATOM 0 HB3 SER A 75 -12.850 4.567 -1.039 1.00 0.00 H new ATOM 0 HG SER A 75 -12.488 5.440 1.092 1.00 0.00 H new ATOM 1218 N PHE A 76 -12.634 0.267 -0.489 1.00 0.00 N ATOM 1219 CA PHE A 76 -11.689 -0.873 -0.319 1.00 0.00 C ATOM 1220 C PHE A 76 -11.501 -1.588 -1.658 1.00 0.00 C ATOM 1221 O PHE A 76 -12.428 -2.147 -2.212 1.00 0.00 O ATOM 1222 CB PHE A 76 -12.251 -1.858 0.705 1.00 0.00 C ATOM 1223 CG PHE A 76 -11.171 -2.227 1.692 1.00 0.00 C ATOM 1224 CD1 PHE A 76 -10.000 -2.847 1.244 1.00 0.00 C ATOM 1225 CD2 PHE A 76 -11.340 -1.947 3.051 1.00 0.00 C ATOM 1226 CE1 PHE A 76 -8.996 -3.190 2.158 1.00 0.00 C ATOM 1227 CE2 PHE A 76 -10.337 -2.288 3.967 1.00 0.00 C ATOM 1228 CZ PHE A 76 -9.164 -2.911 3.520 1.00 0.00 C ATOM 0 H PHE A 76 -13.522 0.033 -0.933 1.00 0.00 H new ATOM 0 HA PHE A 76 -10.729 -0.494 0.030 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -13.099 -1.413 1.226 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -12.620 -2.752 0.202 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -9.870 -3.061 0.193 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -12.245 -1.467 3.395 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -8.092 -3.670 1.813 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -10.467 -2.071 5.017 1.00 0.00 H new ATOM 0 HZ PHE A 76 -8.390 -3.176 4.225 1.00 0.00 H new ATOM 1238 N TRP A 77 -10.309 -1.575 -2.186 1.00 0.00 N ATOM 1239 CA TRP A 77 -10.065 -2.250 -3.490 1.00 0.00 C ATOM 1240 C TRP A 77 -8.935 -3.279 -3.336 1.00 0.00 C ATOM 1241 O TRP A 77 -8.223 -3.282 -2.357 1.00 0.00 O ATOM 1242 CB TRP A 77 -9.678 -1.194 -4.531 1.00 0.00 C ATOM 1243 CG TRP A 77 -8.256 -0.793 -4.334 1.00 0.00 C ATOM 1244 CD1 TRP A 77 -7.801 0.021 -3.357 1.00 0.00 C ATOM 1245 CD2 TRP A 77 -7.100 -1.176 -5.122 1.00 0.00 C ATOM 1246 NE1 TRP A 77 -6.435 0.164 -3.499 1.00 0.00 N ATOM 1247 CE2 TRP A 77 -5.958 -0.557 -4.575 1.00 0.00 C ATOM 1248 CE3 TRP A 77 -6.936 -1.993 -6.251 1.00 0.00 C ATOM 1249 CZ2 TRP A 77 -4.697 -0.737 -5.128 1.00 0.00 C ATOM 1250 CZ3 TRP A 77 -5.668 -2.179 -6.812 1.00 0.00 C ATOM 1251 CH2 TRP A 77 -4.550 -1.551 -6.254 1.00 0.00 C ATOM 0 H TRP A 77 -9.493 -1.126 -1.770 1.00 0.00 H new ATOM 0 HA TRP A 77 -10.967 -2.768 -3.815 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -9.818 -1.592 -5.536 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -10.328 -0.324 -4.439 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -8.406 0.484 -2.591 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -5.851 0.732 -2.885 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -7.794 -2.481 -6.689 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -3.837 -0.252 -4.691 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -5.552 -2.811 -7.680 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -3.574 -1.695 -6.693 1.00 0.00 H new ATOM 1262 N ARG A 78 -8.770 -4.148 -4.298 1.00 0.00 N ATOM 1263 CA ARG A 78 -7.687 -5.174 -4.209 1.00 0.00 C ATOM 1264 C ARG A 78 -7.045 -5.360 -5.584 1.00 0.00 C ATOM 1265 O ARG A 78 -7.583 -4.938 -6.587 1.00 0.00 O ATOM 1266 CB ARG A 78 -8.283 -6.509 -3.764 1.00 0.00 C ATOM 1267 CG ARG A 78 -9.595 -6.753 -4.514 1.00 0.00 C ATOM 1268 CD ARG A 78 -9.979 -8.231 -4.414 1.00 0.00 C ATOM 1269 NE ARG A 78 -11.279 -8.449 -5.110 1.00 0.00 N ATOM 1270 CZ ARG A 78 -11.556 -9.612 -5.635 1.00 0.00 C ATOM 1271 NH1 ARG A 78 -10.773 -10.121 -6.548 1.00 0.00 N ATOM 1272 NH2 ARG A 78 -12.619 -10.265 -5.252 1.00 0.00 N ATOM 0 H ARG A 78 -9.339 -4.192 -5.143 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.939 -4.841 -3.490 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -7.581 -7.318 -3.964 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.462 -6.500 -2.689 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -10.386 -6.132 -4.093 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -9.486 -6.466 -5.560 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -9.204 -8.851 -4.864 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -10.059 -8.528 -3.368 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.954 -7.687 -5.176 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -9.944 -9.610 -6.852 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -10.990 -11.030 -6.957 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -13.234 -9.867 -4.542 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -12.835 -11.173 -5.662 1.00 0.00 H new ATOM 1286 N ILE A 79 -5.909 -6.003 -5.646 1.00 0.00 N ATOM 1287 CA ILE A 79 -5.265 -6.223 -6.978 1.00 0.00 C ATOM 1288 C ILE A 79 -5.909 -7.435 -7.643 1.00 0.00 C ATOM 1289 O ILE A 79 -6.478 -8.283 -6.985 1.00 0.00 O ATOM 1290 CB ILE A 79 -3.765 -6.479 -6.820 1.00 0.00 C ATOM 1291 CG1 ILE A 79 -3.534 -7.800 -6.082 1.00 0.00 C ATOM 1292 CG2 ILE A 79 -3.133 -5.337 -6.034 1.00 0.00 C ATOM 1293 CD1 ILE A 79 -2.067 -7.892 -5.651 1.00 0.00 C ATOM 0 H ILE A 79 -5.403 -6.381 -4.845 1.00 0.00 H new ATOM 0 HA ILE A 79 -5.405 -5.331 -7.589 1.00 0.00 H new ATOM 0 HB ILE A 79 -3.307 -6.538 -7.807 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -4.185 -7.861 -5.210 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -3.788 -8.640 -6.729 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -2.064 -5.520 -5.922 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.286 -4.399 -6.568 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -3.596 -5.274 -5.049 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.901 -8.832 -5.125 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.426 -7.850 -6.531 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.829 -7.059 -4.989 1.00 0.00 H new ATOM 1305 N ASP A 80 -5.823 -7.536 -8.939 1.00 0.00 N ATOM 1306 CA ASP A 80 -6.433 -8.711 -9.620 1.00 0.00 C ATOM 1307 C ASP A 80 -5.784 -9.983 -9.065 1.00 0.00 C ATOM 1308 O ASP A 80 -4.618 -9.982 -8.721 1.00 0.00 O ATOM 1309 CB ASP A 80 -6.201 -8.614 -11.129 1.00 0.00 C ATOM 1310 CG ASP A 80 -7.503 -8.927 -11.868 1.00 0.00 C ATOM 1311 OD1 ASP A 80 -8.488 -8.259 -11.602 1.00 0.00 O ATOM 1312 OD2 ASP A 80 -7.493 -9.830 -12.689 1.00 0.00 O ATOM 0 H ASP A 80 -5.362 -6.863 -9.551 1.00 0.00 H new ATOM 0 HA ASP A 80 -7.507 -8.735 -9.438 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -5.854 -7.614 -11.390 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -5.421 -9.312 -11.433 1.00 0.00 H new ATOM 1317 N PRO A 81 -6.568 -11.027 -8.969 1.00 0.00 N ATOM 1318 CA PRO A 81 -6.108 -12.319 -8.425 1.00 0.00 C ATOM 1319 C PRO A 81 -5.262 -13.093 -9.443 1.00 0.00 C ATOM 1320 O PRO A 81 -4.205 -13.596 -9.121 1.00 0.00 O ATOM 1321 CB PRO A 81 -7.412 -13.060 -8.119 1.00 0.00 C ATOM 1322 CG PRO A 81 -8.505 -12.410 -9.000 1.00 0.00 C ATOM 1323 CD PRO A 81 -7.981 -11.017 -9.396 1.00 0.00 C ATOM 0 HA PRO A 81 -5.466 -12.200 -7.552 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -7.316 -14.123 -8.342 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -7.666 -12.978 -7.062 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -8.701 -13.016 -9.885 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -9.445 -12.329 -8.454 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -8.072 -10.848 -10.469 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -8.541 -10.225 -8.900 1.00 0.00 H new ATOM 1331 N ALA A 82 -5.718 -13.210 -10.659 1.00 0.00 N ATOM 1332 CA ALA A 82 -4.932 -13.973 -11.671 1.00 0.00 C ATOM 1333 C ALA A 82 -3.823 -13.096 -12.251 1.00 0.00 C ATOM 1334 O ALA A 82 -3.141 -13.482 -13.179 1.00 0.00 O ATOM 1335 CB ALA A 82 -5.859 -14.433 -12.798 1.00 0.00 C ATOM 0 H ALA A 82 -6.595 -12.813 -10.995 1.00 0.00 H new ATOM 0 HA ALA A 82 -4.482 -14.840 -11.188 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -5.284 -14.991 -13.537 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -6.640 -15.073 -12.388 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -6.314 -13.564 -13.273 1.00 0.00 H new ATOM 1341 N SER A 83 -3.618 -11.930 -11.708 1.00 0.00 N ATOM 1342 CA SER A 83 -2.537 -11.059 -12.230 1.00 0.00 C ATOM 1343 C SER A 83 -1.578 -10.749 -11.092 1.00 0.00 C ATOM 1344 O SER A 83 -0.523 -10.210 -11.300 1.00 0.00 O ATOM 1345 CB SER A 83 -3.124 -9.752 -12.767 1.00 0.00 C ATOM 1346 OG SER A 83 -4.016 -10.041 -13.836 1.00 0.00 O ATOM 0 H SER A 83 -4.151 -11.546 -10.928 1.00 0.00 H new ATOM 0 HA SER A 83 -2.016 -11.568 -13.041 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.650 -9.223 -11.972 1.00 0.00 H new ATOM 0 HB3 SER A 83 -2.325 -9.096 -13.112 1.00 0.00 H new ATOM 0 HG SER A 83 -4.395 -9.206 -14.181 1.00 0.00 H new ATOM 1352 N GLU A 84 -1.939 -11.083 -9.884 1.00 0.00 N ATOM 1353 CA GLU A 84 -1.043 -10.791 -8.738 1.00 0.00 C ATOM 1354 C GLU A 84 0.296 -11.496 -8.927 1.00 0.00 C ATOM 1355 O GLU A 84 1.337 -10.902 -8.757 1.00 0.00 O ATOM 1356 CB GLU A 84 -1.701 -11.269 -7.441 1.00 0.00 C ATOM 1357 CG GLU A 84 -1.720 -12.799 -7.410 1.00 0.00 C ATOM 1358 CD GLU A 84 -2.624 -13.275 -6.272 1.00 0.00 C ATOM 1359 OE1 GLU A 84 -2.147 -13.347 -5.151 1.00 0.00 O ATOM 1360 OE2 GLU A 84 -3.779 -13.562 -6.540 1.00 0.00 O ATOM 0 H GLU A 84 -2.816 -11.545 -9.644 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.871 -9.716 -8.684 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.154 -10.884 -6.580 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.717 -10.881 -7.372 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -2.081 -13.188 -8.362 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.709 -13.183 -7.271 1.00 0.00 H new ATOM 1367 N ALA A 85 0.287 -12.750 -9.278 1.00 0.00 N ATOM 1368 CA ALA A 85 1.582 -13.465 -9.466 1.00 0.00 C ATOM 1369 C ALA A 85 2.387 -12.788 -10.579 1.00 0.00 C ATOM 1370 O ALA A 85 3.582 -12.981 -10.696 1.00 0.00 O ATOM 1371 CB ALA A 85 1.311 -14.922 -9.842 1.00 0.00 C ATOM 0 H ALA A 85 -0.551 -13.308 -9.442 1.00 0.00 H new ATOM 0 HA ALA A 85 2.152 -13.431 -8.538 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.258 -15.444 -9.979 1.00 0.00 H new ATOM 0 HB2 ALA A 85 0.743 -15.404 -9.046 1.00 0.00 H new ATOM 0 HB3 ALA A 85 0.739 -14.958 -10.769 1.00 0.00 H new ATOM 1377 N LYS A 86 1.748 -11.996 -11.394 1.00 0.00 N ATOM 1378 CA LYS A 86 2.486 -11.308 -12.492 1.00 0.00 C ATOM 1379 C LYS A 86 2.983 -9.946 -11.997 1.00 0.00 C ATOM 1380 O LYS A 86 4.159 -9.654 -12.028 1.00 0.00 O ATOM 1381 CB LYS A 86 1.551 -11.104 -13.687 1.00 0.00 C ATOM 1382 CG LYS A 86 2.347 -10.541 -14.867 1.00 0.00 C ATOM 1383 CD LYS A 86 1.950 -9.081 -15.102 1.00 0.00 C ATOM 1384 CE LYS A 86 3.210 -8.222 -15.231 1.00 0.00 C ATOM 1385 NZ LYS A 86 3.048 -7.271 -16.367 1.00 0.00 N ATOM 0 H LYS A 86 0.749 -11.795 -11.348 1.00 0.00 H new ATOM 0 HA LYS A 86 3.336 -11.919 -12.796 1.00 0.00 H new ATOM 0 HB2 LYS A 86 1.088 -12.050 -13.966 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.745 -10.421 -13.419 1.00 0.00 H new ATOM 0 HG2 LYS A 86 3.416 -10.610 -14.664 1.00 0.00 H new ATOM 0 HG3 LYS A 86 2.154 -11.130 -15.764 1.00 0.00 H new ATOM 0 HD2 LYS A 86 1.347 -8.998 -16.006 1.00 0.00 H new ATOM 0 HD3 LYS A 86 1.336 -8.723 -14.276 1.00 0.00 H new ATOM 0 HE2 LYS A 86 3.386 -7.673 -14.306 1.00 0.00 H new ATOM 0 HE3 LYS A 86 4.081 -8.857 -15.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 3.904 -6.687 -16.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 2.900 -7.804 -17.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 2.227 -6.658 -16.192 1.00 0.00 H new ATOM 1399 N LEU A 87 2.091 -9.110 -11.547 1.00 0.00 N ATOM 1400 CA LEU A 87 2.501 -7.768 -11.057 1.00 0.00 C ATOM 1401 C LEU A 87 3.620 -7.905 -10.037 1.00 0.00 C ATOM 1402 O LEU A 87 4.679 -7.322 -10.165 1.00 0.00 O ATOM 1403 CB LEU A 87 1.307 -7.054 -10.400 1.00 0.00 C ATOM 1404 CG LEU A 87 0.342 -8.050 -9.731 1.00 0.00 C ATOM 1405 CD1 LEU A 87 0.224 -7.739 -8.243 1.00 0.00 C ATOM 1406 CD2 LEU A 87 -1.048 -7.909 -10.344 1.00 0.00 C ATOM 0 H LEU A 87 1.090 -9.301 -11.498 1.00 0.00 H new ATOM 0 HA LEU A 87 2.851 -7.183 -11.907 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.672 -6.346 -9.656 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.770 -6.477 -11.153 1.00 0.00 H new ATOM 0 HG LEU A 87 0.729 -9.058 -9.880 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.460 -8.448 -7.776 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.205 -7.820 -7.775 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.157 -6.726 -8.112 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.729 -8.615 -9.869 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.413 -6.893 -10.189 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.997 -8.118 -11.413 1.00 0.00 H new ATOM 1418 N VAL A 88 3.380 -8.661 -9.020 1.00 0.00 N ATOM 1419 CA VAL A 88 4.392 -8.852 -7.956 1.00 0.00 C ATOM 1420 C VAL A 88 5.776 -9.154 -8.540 1.00 0.00 C ATOM 1421 O VAL A 88 6.786 -8.826 -7.952 1.00 0.00 O ATOM 1422 CB VAL A 88 3.969 -10.037 -7.129 1.00 0.00 C ATOM 1423 CG1 VAL A 88 2.677 -9.715 -6.375 1.00 0.00 C ATOM 1424 CG2 VAL A 88 3.747 -11.224 -8.064 1.00 0.00 C ATOM 0 H VAL A 88 2.507 -9.168 -8.874 1.00 0.00 H new ATOM 0 HA VAL A 88 4.457 -7.937 -7.367 1.00 0.00 H new ATOM 0 HB VAL A 88 4.742 -10.277 -6.399 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.379 -10.578 -5.780 1.00 0.00 H new ATOM 0 HG12 VAL A 88 2.842 -8.861 -5.719 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.889 -9.477 -7.089 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.440 -12.093 -7.482 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.969 -10.977 -8.787 1.00 0.00 H new ATOM 0 HG23 VAL A 88 4.674 -11.450 -8.592 1.00 0.00 H new ATOM 1434 N GLU A 89 5.838 -9.800 -9.671 1.00 0.00 N ATOM 1435 CA GLU A 89 7.173 -10.139 -10.247 1.00 0.00 C ATOM 1436 C GLU A 89 8.016 -8.871 -10.337 1.00 0.00 C ATOM 1437 O GLU A 89 9.171 -8.857 -9.961 1.00 0.00 O ATOM 1438 CB GLU A 89 7.002 -10.737 -11.646 1.00 0.00 C ATOM 1439 CG GLU A 89 6.877 -12.258 -11.543 1.00 0.00 C ATOM 1440 CD GLU A 89 8.271 -12.880 -11.453 1.00 0.00 C ATOM 1441 OE1 GLU A 89 9.074 -12.616 -12.332 1.00 0.00 O ATOM 1442 OE2 GLU A 89 8.513 -13.610 -10.506 1.00 0.00 O ATOM 0 H GLU A 89 5.033 -10.106 -10.218 1.00 0.00 H new ATOM 0 HA GLU A 89 7.668 -10.868 -9.606 1.00 0.00 H new ATOM 0 HB2 GLU A 89 6.115 -10.321 -12.124 1.00 0.00 H new ATOM 0 HB3 GLU A 89 7.855 -10.474 -12.272 1.00 0.00 H new ATOM 0 HG2 GLU A 89 6.290 -12.527 -10.665 1.00 0.00 H new ATOM 0 HG3 GLU A 89 6.348 -12.650 -12.412 1.00 0.00 H new ATOM 1449 N GLN A 90 7.448 -7.801 -10.808 1.00 0.00 N ATOM 1450 CA GLN A 90 8.223 -6.536 -10.889 1.00 0.00 C ATOM 1451 C GLN A 90 8.208 -5.874 -9.511 1.00 0.00 C ATOM 1452 O GLN A 90 9.031 -5.037 -9.197 1.00 0.00 O ATOM 1453 CB GLN A 90 7.582 -5.601 -11.918 1.00 0.00 C ATOM 1454 CG GLN A 90 7.350 -6.362 -13.225 1.00 0.00 C ATOM 1455 CD GLN A 90 8.194 -5.735 -14.338 1.00 0.00 C ATOM 1456 OE1 GLN A 90 9.373 -5.498 -14.161 1.00 0.00 O ATOM 1457 NE2 GLN A 90 7.637 -5.453 -15.483 1.00 0.00 N ATOM 0 H GLN A 90 6.485 -7.747 -11.139 1.00 0.00 H new ATOM 0 HA GLN A 90 9.248 -6.744 -11.195 1.00 0.00 H new ATOM 0 HB2 GLN A 90 6.636 -5.216 -11.536 1.00 0.00 H new ATOM 0 HB3 GLN A 90 8.228 -4.741 -12.095 1.00 0.00 H new ATOM 0 HG2 GLN A 90 7.616 -7.411 -13.099 1.00 0.00 H new ATOM 0 HG3 GLN A 90 6.294 -6.331 -13.494 1.00 0.00 H new ATOM 0 HE21 GLN A 90 6.648 -5.652 -15.632 1.00 0.00 H new ATOM 0 HE22 GLN A 90 8.191 -5.034 -16.230 1.00 0.00 H new ATOM 1466 N ALA A 91 7.271 -6.253 -8.682 1.00 0.00 N ATOM 1467 CA ALA A 91 7.185 -5.656 -7.321 1.00 0.00 C ATOM 1468 C ALA A 91 8.456 -5.971 -6.530 1.00 0.00 C ATOM 1469 O ALA A 91 8.977 -5.134 -5.818 1.00 0.00 O ATOM 1470 CB ALA A 91 5.970 -6.226 -6.592 1.00 0.00 C ATOM 0 H ALA A 91 6.560 -6.953 -8.892 1.00 0.00 H new ATOM 0 HA ALA A 91 7.082 -4.574 -7.409 1.00 0.00 H new ATOM 0 HB1 ALA A 91 5.906 -5.790 -5.595 1.00 0.00 H new ATOM 0 HB2 ALA A 91 5.065 -5.988 -7.151 1.00 0.00 H new ATOM 0 HB3 ALA A 91 6.070 -7.308 -6.508 1.00 0.00 H new ATOM 1476 N PHE A 92 8.960 -7.169 -6.644 1.00 0.00 N ATOM 1477 CA PHE A 92 10.194 -7.532 -5.890 1.00 0.00 C ATOM 1478 C PHE A 92 11.413 -6.868 -6.533 1.00 0.00 C ATOM 1479 O PHE A 92 12.323 -6.435 -5.854 1.00 0.00 O ATOM 1480 CB PHE A 92 10.371 -9.052 -5.906 1.00 0.00 C ATOM 1481 CG PHE A 92 9.064 -9.712 -5.542 1.00 0.00 C ATOM 1482 CD1 PHE A 92 8.185 -9.080 -4.654 1.00 0.00 C ATOM 1483 CD2 PHE A 92 8.729 -10.956 -6.091 1.00 0.00 C ATOM 1484 CE1 PHE A 92 6.972 -9.691 -4.315 1.00 0.00 C ATOM 1485 CE2 PHE A 92 7.516 -11.567 -5.753 1.00 0.00 C ATOM 1486 CZ PHE A 92 6.637 -10.934 -4.865 1.00 0.00 C ATOM 0 H PHE A 92 8.572 -7.912 -7.226 1.00 0.00 H new ATOM 0 HA PHE A 92 10.101 -7.185 -4.861 1.00 0.00 H new ATOM 0 HB2 PHE A 92 10.695 -9.381 -6.893 1.00 0.00 H new ATOM 0 HB3 PHE A 92 11.149 -9.346 -5.201 1.00 0.00 H new ATOM 0 HD1 PHE A 92 8.443 -8.121 -4.230 1.00 0.00 H new ATOM 0 HD2 PHE A 92 9.407 -11.444 -6.776 1.00 0.00 H new ATOM 0 HE1 PHE A 92 6.295 -9.204 -3.629 1.00 0.00 H new ATOM 0 HE2 PHE A 92 7.258 -12.526 -6.177 1.00 0.00 H new ATOM 0 HZ PHE A 92 5.701 -11.405 -4.605 1.00 0.00 H new ATOM 1496 N ARG A 93 11.448 -6.789 -7.835 1.00 0.00 N ATOM 1497 CA ARG A 93 12.619 -6.157 -8.509 1.00 0.00 C ATOM 1498 C ARG A 93 12.140 -5.090 -9.496 1.00 0.00 C ATOM 1499 O ARG A 93 11.230 -5.310 -10.271 1.00 0.00 O ATOM 1500 CB ARG A 93 13.405 -7.230 -9.267 1.00 0.00 C ATOM 1501 CG ARG A 93 14.903 -6.954 -9.141 1.00 0.00 C ATOM 1502 CD ARG A 93 15.347 -7.190 -7.697 1.00 0.00 C ATOM 1503 NE ARG A 93 15.646 -5.883 -7.049 1.00 0.00 N ATOM 1504 CZ ARG A 93 16.339 -5.847 -5.945 1.00 0.00 C ATOM 1505 NH1 ARG A 93 17.620 -6.091 -5.971 1.00 0.00 N ATOM 1506 NH2 ARG A 93 15.749 -5.568 -4.814 1.00 0.00 N ATOM 0 H ARG A 93 10.719 -7.133 -8.460 1.00 0.00 H new ATOM 0 HA ARG A 93 13.257 -5.691 -7.758 1.00 0.00 H new ATOM 0 HB2 ARG A 93 13.172 -8.217 -8.867 1.00 0.00 H new ATOM 0 HB3 ARG A 93 13.113 -7.235 -10.317 1.00 0.00 H new ATOM 0 HG2 ARG A 93 15.461 -7.604 -9.815 1.00 0.00 H new ATOM 0 HG3 ARG A 93 15.120 -5.927 -9.436 1.00 0.00 H new ATOM 0 HD2 ARG A 93 14.564 -7.711 -7.145 1.00 0.00 H new ATOM 0 HD3 ARG A 93 16.230 -7.828 -7.677 1.00 0.00 H new ATOM 0 HE ARG A 93 15.309 -5.016 -7.468 1.00 0.00 H new ATOM 0 HH11 ARG A 93 18.080 -6.310 -6.855 1.00 0.00 H new ATOM 0 HH12 ARG A 93 18.162 -6.063 -5.107 1.00 0.00 H new ATOM 0 HH21 ARG A 93 14.747 -5.378 -4.795 1.00 0.00 H new ATOM 0 HH22 ARG A 93 16.290 -5.540 -3.950 1.00 0.00 H new ATOM 1520 N LYS A 94 12.752 -3.936 -9.480 1.00 0.00 N ATOM 1521 CA LYS A 94 12.336 -2.858 -10.422 1.00 0.00 C ATOM 1522 C LYS A 94 13.463 -1.830 -10.560 1.00 0.00 C ATOM 1523 O LYS A 94 14.038 -1.663 -11.617 1.00 0.00 O ATOM 1524 CB LYS A 94 11.078 -2.168 -9.894 1.00 0.00 C ATOM 1525 CG LYS A 94 10.153 -1.837 -11.068 1.00 0.00 C ATOM 1526 CD LYS A 94 10.842 -0.830 -11.993 1.00 0.00 C ATOM 1527 CE LYS A 94 9.826 -0.288 -13.001 1.00 0.00 C ATOM 1528 NZ LYS A 94 10.530 0.095 -14.259 1.00 0.00 N ATOM 0 H LYS A 94 13.521 -3.694 -8.856 1.00 0.00 H new ATOM 0 HA LYS A 94 12.125 -3.297 -11.397 1.00 0.00 H new ATOM 0 HB2 LYS A 94 10.565 -2.816 -9.183 1.00 0.00 H new ATOM 0 HB3 LYS A 94 11.346 -1.257 -9.359 1.00 0.00 H new ATOM 0 HG2 LYS A 94 9.908 -2.745 -11.619 1.00 0.00 H new ATOM 0 HG3 LYS A 94 9.214 -1.425 -10.700 1.00 0.00 H new ATOM 0 HD2 LYS A 94 11.263 -0.012 -11.409 1.00 0.00 H new ATOM 0 HD3 LYS A 94 11.670 -1.308 -12.516 1.00 0.00 H new ATOM 0 HE2 LYS A 94 9.068 -1.043 -13.211 1.00 0.00 H new ATOM 0 HE3 LYS A 94 9.309 0.576 -12.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 9.840 0.463 -14.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 11.237 0.829 -14.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 11.004 -0.740 -14.659 1.00 0.00 H new ATOM 1542 N ARG A 95 13.776 -1.133 -9.503 1.00 0.00 N ATOM 1543 CA ARG A 95 14.860 -0.111 -9.575 1.00 0.00 C ATOM 1544 C ARG A 95 16.180 -0.780 -9.960 1.00 0.00 C ATOM 1545 O ARG A 95 16.497 -1.862 -9.504 1.00 0.00 O ATOM 1546 CB ARG A 95 15.009 0.567 -8.213 1.00 0.00 C ATOM 1547 CG ARG A 95 13.933 1.643 -8.059 1.00 0.00 C ATOM 1548 CD ARG A 95 14.432 2.956 -8.665 1.00 0.00 C ATOM 1549 NE ARG A 95 15.615 3.441 -7.900 1.00 0.00 N ATOM 1550 CZ ARG A 95 15.841 4.722 -7.794 1.00 0.00 C ATOM 1551 NH1 ARG A 95 15.310 5.551 -8.650 1.00 0.00 N ATOM 1552 NH2 ARG A 95 16.599 5.173 -6.832 1.00 0.00 N ATOM 0 H ARG A 95 13.328 -1.226 -8.591 1.00 0.00 H new ATOM 0 HA ARG A 95 14.604 0.634 -10.329 1.00 0.00 H new ATOM 0 HB2 ARG A 95 14.918 -0.171 -7.416 1.00 0.00 H new ATOM 0 HB3 ARG A 95 16.000 1.013 -8.123 1.00 0.00 H new ATOM 0 HG2 ARG A 95 13.015 1.327 -8.555 1.00 0.00 H new ATOM 0 HG3 ARG A 95 13.694 1.785 -7.005 1.00 0.00 H new ATOM 0 HD2 ARG A 95 14.699 2.807 -9.711 1.00 0.00 H new ATOM 0 HD3 ARG A 95 13.639 3.704 -8.641 1.00 0.00 H new ATOM 0 HE ARG A 95 16.247 2.773 -7.460 1.00 0.00 H new ATOM 0 HH11 ARG A 95 14.718 5.198 -9.402 1.00 0.00 H new ATOM 0 HH12 ARG A 95 15.487 6.552 -8.567 1.00 0.00 H new ATOM 0 HH21 ARG A 95 17.015 4.524 -6.163 1.00 0.00 H new ATOM 0 HH22 ARG A 95 16.776 6.174 -6.749 1.00 0.00 H new ATOM 1566 N ARG A 96 16.955 -0.146 -10.798 1.00 0.00 N ATOM 1567 CA ARG A 96 18.255 -0.744 -11.213 1.00 0.00 C ATOM 1568 C ARG A 96 19.407 0.150 -10.746 1.00 0.00 C ATOM 1569 O ARG A 96 19.246 0.985 -9.878 1.00 0.00 O ATOM 1570 CB ARG A 96 18.294 -0.869 -12.739 1.00 0.00 C ATOM 1571 CG ARG A 96 16.894 -1.197 -13.263 1.00 0.00 C ATOM 1572 CD ARG A 96 16.934 -1.317 -14.788 1.00 0.00 C ATOM 1573 NE ARG A 96 15.718 -0.679 -15.369 1.00 0.00 N ATOM 1574 CZ ARG A 96 15.837 0.283 -16.244 1.00 0.00 C ATOM 1575 NH1 ARG A 96 16.869 0.316 -17.041 1.00 0.00 N ATOM 1576 NH2 ARG A 96 14.923 1.212 -16.322 1.00 0.00 N ATOM 0 H ARG A 96 16.743 0.761 -11.213 1.00 0.00 H new ATOM 0 HA ARG A 96 18.358 -1.731 -10.762 1.00 0.00 H new ATOM 0 HB2 ARG A 96 18.650 0.061 -13.181 1.00 0.00 H new ATOM 0 HB3 ARG A 96 18.995 -1.650 -13.032 1.00 0.00 H new ATOM 0 HG2 ARG A 96 16.539 -2.129 -12.824 1.00 0.00 H new ATOM 0 HG3 ARG A 96 16.192 -0.418 -12.967 1.00 0.00 H new ATOM 0 HD2 ARG A 96 17.831 -0.836 -15.178 1.00 0.00 H new ATOM 0 HD3 ARG A 96 16.982 -2.366 -15.080 1.00 0.00 H new ATOM 0 HE ARG A 96 14.791 -0.995 -15.082 1.00 0.00 H new ATOM 0 HH11 ARG A 96 17.583 -0.410 -16.981 1.00 0.00 H new ATOM 0 HH12 ARG A 96 16.962 1.067 -17.724 1.00 0.00 H new ATOM 0 HH21 ARG A 96 14.116 1.187 -15.699 1.00 0.00 H new ATOM 0 HH22 ARG A 96 15.016 1.963 -17.006 1.00 0.00 H new ATOM 1590 N GLN A 97 20.570 -0.018 -11.319 1.00 0.00 N ATOM 1591 CA GLN A 97 21.732 0.823 -10.910 1.00 0.00 C ATOM 1592 C GLN A 97 21.875 1.999 -11.878 1.00 0.00 C ATOM 1593 O GLN A 97 21.012 2.249 -12.697 1.00 0.00 O ATOM 1594 CB GLN A 97 23.014 -0.017 -10.940 1.00 0.00 C ATOM 1595 CG GLN A 97 22.990 -0.951 -12.151 1.00 0.00 C ATOM 1596 CD GLN A 97 24.423 -1.328 -12.532 1.00 0.00 C ATOM 1597 OE1 GLN A 97 25.149 -0.526 -13.084 1.00 0.00 O ATOM 1598 NE2 GLN A 97 24.863 -2.526 -12.260 1.00 0.00 N ATOM 0 H GLN A 97 20.765 -0.701 -12.052 1.00 0.00 H new ATOM 0 HA GLN A 97 21.568 1.197 -9.900 1.00 0.00 H new ATOM 0 HB2 GLN A 97 23.886 0.635 -10.989 1.00 0.00 H new ATOM 0 HB3 GLN A 97 23.101 -0.598 -10.022 1.00 0.00 H new ATOM 0 HG2 GLN A 97 22.415 -1.848 -11.921 1.00 0.00 H new ATOM 0 HG3 GLN A 97 22.495 -0.463 -12.991 1.00 0.00 H new ATOM 0 HE21 GLN A 97 24.254 -3.200 -11.796 1.00 0.00 H new ATOM 0 HE22 GLN A 97 25.816 -2.788 -12.511 1.00 0.00 H new ATOM 1607 N ARG A 98 22.956 2.725 -11.790 1.00 0.00 N ATOM 1608 CA ARG A 98 23.151 3.885 -12.706 1.00 0.00 C ATOM 1609 C ARG A 98 24.552 3.824 -13.316 1.00 0.00 C ATOM 1610 O ARG A 98 25.270 4.804 -13.347 1.00 0.00 O ATOM 1611 CB ARG A 98 22.995 5.189 -11.920 1.00 0.00 C ATOM 1612 CG ARG A 98 21.875 6.028 -12.539 1.00 0.00 C ATOM 1613 CD ARG A 98 21.141 6.791 -11.435 1.00 0.00 C ATOM 1614 NE ARG A 98 19.742 7.066 -11.868 1.00 0.00 N ATOM 1615 CZ ARG A 98 19.501 8.020 -12.724 1.00 0.00 C ATOM 1616 NH1 ARG A 98 20.046 9.195 -12.563 1.00 0.00 N ATOM 1617 NH2 ARG A 98 18.713 7.800 -13.741 1.00 0.00 N ATOM 0 H ARG A 98 23.712 2.565 -11.124 1.00 0.00 H new ATOM 0 HA ARG A 98 22.406 3.848 -13.501 1.00 0.00 H new ATOM 0 HB2 ARG A 98 22.767 4.972 -10.877 1.00 0.00 H new ATOM 0 HB3 ARG A 98 23.931 5.747 -11.932 1.00 0.00 H new ATOM 0 HG2 ARG A 98 22.289 6.727 -13.266 1.00 0.00 H new ATOM 0 HG3 ARG A 98 21.178 5.385 -13.076 1.00 0.00 H new ATOM 0 HD2 ARG A 98 21.140 6.208 -10.514 1.00 0.00 H new ATOM 0 HD3 ARG A 98 21.657 7.727 -11.220 1.00 0.00 H new ATOM 0 HE ARG A 98 18.973 6.509 -11.495 1.00 0.00 H new ATOM 0 HH11 ARG A 98 20.661 9.367 -11.767 1.00 0.00 H new ATOM 0 HH12 ARG A 98 19.857 9.941 -13.233 1.00 0.00 H new ATOM 0 HH21 ARG A 98 18.286 6.882 -13.866 1.00 0.00 H new ATOM 0 HH22 ARG A 98 18.524 8.546 -14.411 1.00 0.00 H new ATOM 1631 N GLY A 99 24.949 2.680 -13.800 1.00 0.00 N ATOM 1632 CA GLY A 99 26.304 2.558 -14.405 1.00 0.00 C ATOM 1633 C GLY A 99 26.247 1.598 -15.595 1.00 0.00 C ATOM 1634 O GLY A 99 25.186 1.223 -16.053 1.00 0.00 O ATOM 0 H GLY A 99 24.393 1.825 -13.803 1.00 0.00 H new ATOM 0 HA2 GLY A 99 26.658 3.536 -14.730 1.00 0.00 H new ATOM 0 HA3 GLY A 99 27.014 2.192 -13.663 1.00 0.00 H new ATOM 1638 N VAL A 100 27.382 1.197 -16.098 1.00 0.00 N ATOM 1639 CA VAL A 100 27.394 0.263 -17.257 1.00 0.00 C ATOM 1640 C VAL A 100 28.558 -0.718 -17.109 1.00 0.00 C ATOM 1641 O VAL A 100 29.633 -0.359 -16.668 1.00 0.00 O ATOM 1642 CB VAL A 100 27.556 1.060 -18.552 1.00 0.00 C ATOM 1643 CG1 VAL A 100 26.246 1.783 -18.871 1.00 0.00 C ATOM 1644 CG2 VAL A 100 28.678 2.090 -18.383 1.00 0.00 C ATOM 0 H VAL A 100 28.301 1.476 -15.756 1.00 0.00 H new ATOM 0 HA VAL A 100 26.456 -0.291 -17.288 1.00 0.00 H new ATOM 0 HB VAL A 100 27.806 0.381 -19.367 1.00 0.00 H new ATOM 0 HG11 VAL A 100 26.360 2.352 -19.794 1.00 0.00 H new ATOM 0 HG12 VAL A 100 25.447 1.052 -18.992 1.00 0.00 H new ATOM 0 HG13 VAL A 100 25.997 2.461 -18.055 1.00 0.00 H new ATOM 0 HG21 VAL A 100 28.793 2.658 -19.306 1.00 0.00 H new ATOM 0 HG22 VAL A 100 28.428 2.769 -17.568 1.00 0.00 H new ATOM 0 HG23 VAL A 100 29.612 1.577 -18.154 1.00 0.00 H new ATOM 1654 N SER A 101 28.355 -1.954 -17.474 1.00 0.00 N ATOM 1655 CA SER A 101 29.449 -2.957 -17.354 1.00 0.00 C ATOM 1656 C SER A 101 29.408 -3.905 -18.554 1.00 0.00 C ATOM 1657 O SER A 101 29.664 -5.082 -18.364 1.00 0.00 O ATOM 1658 CB SER A 101 29.266 -3.760 -16.065 1.00 0.00 C ATOM 1659 OG SER A 101 27.969 -4.344 -16.056 1.00 0.00 O ATOM 1660 OXT SER A 101 29.122 -3.437 -19.644 1.00 0.00 O ATOM 0 H SER A 101 27.477 -2.312 -17.851 1.00 0.00 H new ATOM 0 HA SER A 101 30.410 -2.443 -17.330 1.00 0.00 H new ATOM 0 HB2 SER A 101 30.028 -4.537 -15.995 1.00 0.00 H new ATOM 0 HB3 SER A 101 29.392 -3.112 -15.198 1.00 0.00 H new ATOM 0 HG SER A 101 27.849 -4.861 -15.232 1.00 0.00 H new TER 1666 SER A 101