USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 796 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 67 THR OG1 : rot 91:sc= 1.21 USER MOD Set 1.2: A 72 TYR OH : rot 130:sc= 0.983 USER MOD Set 2.1: A 21 LYS NZ :NH3+ 143:sc= 0.0259 (180deg=-0.000456) USER MOD Set 2.2: A 59 ASN : amide:sc= -1.05 K(o=-1,f=-7.6!) USER MOD Set 3.1: A 19 THR OG1 : rot 180:sc= 1.03 USER MOD Set 3.2: A 62 THR OG1 : rot -118:sc= 1.19 USER MOD Set 4.1: A 12 ASN :FLIP amide:sc= -0.244 F(o=0.8,f=1.3) USER MOD Set 4.2: A 14 THR OG1 : rot 74:sc= 0.888 USER MOD Set 4.3: A 17 THR OG1 : rot 28:sc= 0.701 USER MOD Single : A 0 SER N :NH3+ -140:sc= 0.125 (180deg=0.000391) USER MOD Single : A 0 SER OG : rot 42:sc= 0.187 USER MOD Single : A 7 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0567) USER MOD Single : A 16 HIS : no HD1:sc= -0.0589 X(o=-0.059,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 164:sc= -0.0242 (180deg=-0.33) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -60:sc= 0.677 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN :FLIP amide:sc= -0.0287 F(o=-0.53,f=-0.029) USER MOD Single : A 50 LYS NZ :NH3+ -170:sc= -0.0366 (180deg=-0.126) USER MOD Single : A 52 ASN : amide:sc= -2.28 K(o=-2.3,f=-8.2!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.025 X(o=-0.025,f=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0.0451 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -8.89! C(o=-8.9!,f=-15!) USER MOD Single : A 86 SER OG : rot -130:sc= -0.473 USER MOD Single : A 89 SER OG : rot -102:sc= -0.692 USER MOD Single : A 92 SER OG : rot -107:sc= -0.297 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 CYS SG : rot -82:sc= -0.826 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 0 -25.372 -4.766 -4.430 1.00 2.05 N ATOM 2 CA SER A 0 -24.483 -3.576 -4.383 1.00 1.55 C ATOM 3 C SER A 0 -23.030 -3.964 -4.667 1.00 1.39 C ATOM 4 O SER A 0 -22.451 -4.782 -3.952 1.00 1.50 O ATOM 5 CB SER A 0 -24.600 -2.938 -2.997 1.00 2.08 C ATOM 6 OG SER A 0 -24.510 -3.916 -1.975 1.00 2.74 O ATOM 0 H1 SER A 0 -26.266 -4.513 -4.898 1.00 2.05 H new ATOM 0 H2 SER A 0 -24.905 -5.527 -4.963 1.00 2.05 H new ATOM 0 H3 SER A 0 -25.568 -5.091 -3.462 1.00 2.05 H new ATOM 0 HA SER A 0 -24.789 -2.865 -5.151 1.00 1.55 H new ATOM 0 HB2 SER A 0 -23.811 -2.198 -2.866 1.00 2.08 H new ATOM 0 HB3 SER A 0 -25.550 -2.409 -2.916 1.00 2.08 H new ATOM 0 HG SER A 0 -23.799 -4.554 -2.194 1.00 2.74 H new ATOM 12 N PRO A 1 -22.419 -3.384 -5.716 1.00 1.23 N ATOM 13 CA PRO A 1 -21.034 -3.680 -6.081 1.00 1.19 C ATOM 14 C PRO A 1 -20.031 -2.900 -5.239 1.00 1.24 C ATOM 15 O PRO A 1 -20.410 -2.060 -4.423 1.00 2.06 O ATOM 16 CB PRO A 1 -20.967 -3.235 -7.538 1.00 1.18 C ATOM 17 CG PRO A 1 -21.931 -2.102 -7.626 1.00 1.26 C ATOM 18 CD PRO A 1 -23.025 -2.396 -6.629 1.00 1.24 C ATOM 0 HA PRO A 1 -20.779 -4.728 -5.921 1.00 1.19 H new ATOM 0 HB2 PRO A 1 -19.960 -2.921 -7.811 1.00 1.18 H new ATOM 0 HB3 PRO A 1 -21.243 -4.045 -8.214 1.00 1.18 H new ATOM 0 HG2 PRO A 1 -21.441 -1.156 -7.397 1.00 1.26 H new ATOM 0 HG3 PRO A 1 -22.337 -2.015 -8.634 1.00 1.26 H new ATOM 0 HD2 PRO A 1 -23.332 -1.496 -6.096 1.00 1.24 H new ATOM 0 HD3 PRO A 1 -23.913 -2.796 -7.118 1.00 1.24 H new ATOM 26 N ILE A 2 -18.748 -3.182 -5.445 1.00 0.68 N ATOM 27 CA ILE A 2 -17.691 -2.502 -4.707 1.00 0.61 C ATOM 28 C ILE A 2 -16.481 -2.257 -5.601 1.00 0.57 C ATOM 29 O ILE A 2 -16.155 -3.076 -6.460 1.00 0.63 O ATOM 30 CB ILE A 2 -17.255 -3.313 -3.468 1.00 0.62 C ATOM 31 CG1 ILE A 2 -16.099 -2.604 -2.731 1.00 0.60 C ATOM 32 CG2 ILE A 2 -16.857 -4.721 -3.886 1.00 0.66 C ATOM 33 CD1 ILE A 2 -15.339 -3.480 -1.748 1.00 0.56 C ATOM 0 H ILE A 2 -18.417 -3.875 -6.116 1.00 0.68 H new ATOM 0 HA ILE A 2 -18.095 -1.546 -4.373 1.00 0.61 H new ATOM 0 HB ILE A 2 -18.095 -3.382 -2.776 1.00 0.62 H new ATOM 0 HG12 ILE A 2 -15.397 -2.218 -3.471 1.00 0.60 H new ATOM 0 HG13 ILE A 2 -16.501 -1.745 -2.195 1.00 0.60 H new ATOM 0 HG21 ILE A 2 -16.550 -5.288 -3.007 1.00 0.66 H new ATOM 0 HG22 ILE A 2 -17.707 -5.214 -4.358 1.00 0.66 H new ATOM 0 HG23 ILE A 2 -16.029 -4.670 -4.592 1.00 0.66 H new ATOM 0 HD11 ILE A 2 -14.546 -2.897 -1.279 1.00 0.56 H new ATOM 0 HD12 ILE A 2 -16.023 -3.845 -0.982 1.00 0.56 H new ATOM 0 HD13 ILE A 2 -14.902 -4.326 -2.278 1.00 0.56 H new ATOM 45 N ASP A 3 -15.815 -1.128 -5.392 1.00 0.55 N ATOM 46 CA ASP A 3 -14.637 -0.782 -6.181 1.00 0.54 C ATOM 47 C ASP A 3 -13.480 -0.369 -5.273 1.00 0.47 C ATOM 48 O ASP A 3 -13.655 0.444 -4.366 1.00 0.49 O ATOM 49 CB ASP A 3 -14.964 0.349 -7.159 1.00 0.61 C ATOM 50 CG ASP A 3 -15.791 -0.126 -8.337 1.00 1.15 C ATOM 51 OD1 ASP A 3 -16.861 -0.728 -8.107 1.00 1.64 O ATOM 52 OD2 ASP A 3 -15.367 0.102 -9.490 1.00 2.00 O ATOM 0 H ASP A 3 -16.069 -0.438 -4.685 1.00 0.55 H new ATOM 0 HA ASP A 3 -14.336 -1.664 -6.747 1.00 0.54 H new ATOM 0 HB2 ASP A 3 -15.505 1.136 -6.633 1.00 0.61 H new ATOM 0 HB3 ASP A 3 -14.036 0.789 -7.524 1.00 0.61 H new ATOM 57 N PRO A 4 -12.274 -0.923 -5.503 1.00 0.44 N ATOM 58 CA PRO A 4 -11.097 -0.603 -4.696 1.00 0.41 C ATOM 59 C PRO A 4 -10.475 0.738 -5.076 1.00 0.38 C ATOM 60 O PRO A 4 -10.739 1.277 -6.151 1.00 0.43 O ATOM 61 CB PRO A 4 -10.145 -1.756 -5.006 1.00 0.45 C ATOM 62 CG PRO A 4 -10.480 -2.139 -6.405 1.00 0.50 C ATOM 63 CD PRO A 4 -11.962 -1.906 -6.561 1.00 0.50 C ATOM 0 HA PRO A 4 -11.336 -0.503 -3.637 1.00 0.41 H new ATOM 0 HB2 PRO A 4 -9.103 -1.448 -4.916 1.00 0.45 H new ATOM 0 HB3 PRO A 4 -10.291 -2.589 -4.319 1.00 0.45 H new ATOM 0 HG2 PRO A 4 -9.914 -1.540 -7.119 1.00 0.50 H new ATOM 0 HG3 PRO A 4 -10.228 -3.182 -6.594 1.00 0.50 H new ATOM 0 HD2 PRO A 4 -12.205 -1.520 -7.551 1.00 0.50 H new ATOM 0 HD3 PRO A 4 -12.528 -2.828 -6.431 1.00 0.50 H new ATOM 71 N PRO A 5 -9.636 1.295 -4.187 1.00 0.37 N ATOM 72 CA PRO A 5 -8.967 2.581 -4.416 1.00 0.39 C ATOM 73 C PRO A 5 -8.134 2.588 -5.695 1.00 0.38 C ATOM 74 O PRO A 5 -8.082 1.595 -6.420 1.00 0.47 O ATOM 75 CB PRO A 5 -8.067 2.747 -3.182 1.00 0.46 C ATOM 76 CG PRO A 5 -7.962 1.381 -2.593 1.00 0.71 C ATOM 77 CD PRO A 5 -9.270 0.716 -2.886 1.00 0.43 C ATOM 0 HA PRO A 5 -9.684 3.392 -4.545 1.00 0.39 H new ATOM 0 HB2 PRO A 5 -7.086 3.134 -3.458 1.00 0.46 H new ATOM 0 HB3 PRO A 5 -8.499 3.451 -2.471 1.00 0.46 H new ATOM 0 HG2 PRO A 5 -7.133 0.827 -3.033 1.00 0.71 H new ATOM 0 HG3 PRO A 5 -7.779 1.430 -1.520 1.00 0.71 H new ATOM 0 HD2 PRO A 5 -9.172 -0.368 -2.937 1.00 0.43 H new ATOM 0 HD3 PRO A 5 -10.016 0.932 -2.121 1.00 0.43 H new ATOM 85 N GLY A 6 -7.489 3.719 -5.966 1.00 0.37 N ATOM 86 CA GLY A 6 -6.670 3.842 -7.158 1.00 0.39 C ATOM 87 C GLY A 6 -5.357 3.092 -7.049 1.00 0.42 C ATOM 88 O GLY A 6 -5.206 2.210 -6.203 1.00 0.66 O ATOM 0 H GLY A 6 -7.519 4.553 -5.380 1.00 0.37 H new ATOM 0 HA2 GLY A 6 -7.227 3.467 -8.016 1.00 0.39 H new ATOM 0 HA3 GLY A 6 -6.466 4.896 -7.346 1.00 0.39 H new ATOM 92 N LYS A 7 -4.405 3.444 -7.908 1.00 0.41 N ATOM 93 CA LYS A 7 -3.095 2.802 -7.909 1.00 0.44 C ATOM 94 C LYS A 7 -2.149 3.511 -6.940 1.00 0.37 C ATOM 95 O LYS A 7 -1.862 4.697 -7.106 1.00 0.42 O ATOM 96 CB LYS A 7 -2.502 2.819 -9.319 1.00 0.54 C ATOM 97 CG LYS A 7 -1.589 1.638 -9.607 1.00 0.64 C ATOM 98 CD LYS A 7 -0.375 2.056 -10.417 1.00 1.01 C ATOM 99 CE LYS A 7 0.844 2.252 -9.531 1.00 0.95 C ATOM 100 NZ LYS A 7 1.717 1.046 -9.513 1.00 1.52 N ATOM 0 H LYS A 7 -4.517 4.172 -8.614 1.00 0.41 H new ATOM 0 HA LYS A 7 -3.218 1.769 -7.585 1.00 0.44 H new ATOM 0 HB2 LYS A 7 -3.314 2.826 -10.046 1.00 0.54 H new ATOM 0 HB3 LYS A 7 -1.942 3.744 -9.458 1.00 0.54 H new ATOM 0 HG2 LYS A 7 -1.264 1.191 -8.668 1.00 0.64 H new ATOM 0 HG3 LYS A 7 -2.143 0.872 -10.150 1.00 0.64 H new ATOM 0 HD2 LYS A 7 -0.160 1.298 -11.171 1.00 1.01 H new ATOM 0 HD3 LYS A 7 -0.592 2.982 -10.949 1.00 1.01 H new ATOM 0 HE2 LYS A 7 1.416 3.109 -9.885 1.00 0.95 H new ATOM 0 HE3 LYS A 7 0.522 2.482 -8.516 1.00 0.95 H new ATOM 0 HZ1 LYS A 7 2.593 1.260 -8.996 1.00 1.52 H new ATOM 0 HZ2 LYS A 7 1.219 0.264 -9.042 1.00 1.52 H new ATOM 0 HZ3 LYS A 7 1.949 0.771 -10.489 1.00 1.52 H new ATOM 114 N PRO A 8 -1.649 2.802 -5.909 1.00 0.34 N ATOM 115 CA PRO A 8 -0.733 3.387 -4.916 1.00 0.32 C ATOM 116 C PRO A 8 0.579 3.856 -5.530 1.00 0.33 C ATOM 117 O PRO A 8 1.198 3.146 -6.321 1.00 0.44 O ATOM 118 CB PRO A 8 -0.496 2.236 -3.930 1.00 0.39 C ATOM 119 CG PRO A 8 -1.669 1.345 -4.133 1.00 0.44 C ATOM 120 CD PRO A 8 -1.921 1.384 -5.608 1.00 0.41 C ATOM 0 HA PRO A 8 -1.152 4.280 -4.453 1.00 0.32 H new ATOM 0 HB2 PRO A 8 0.440 1.718 -4.138 1.00 0.39 H new ATOM 0 HB3 PRO A 8 -0.440 2.595 -2.902 1.00 0.39 H new ATOM 0 HG2 PRO A 8 -1.460 0.331 -3.793 1.00 0.44 H new ATOM 0 HG3 PRO A 8 -2.536 1.697 -3.573 1.00 0.44 H new ATOM 0 HD2 PRO A 8 -1.260 0.713 -6.156 1.00 0.41 H new ATOM 0 HD3 PRO A 8 -2.943 1.099 -5.858 1.00 0.41 H new ATOM 128 N VAL A 9 0.992 5.064 -5.159 1.00 0.34 N ATOM 129 CA VAL A 9 2.228 5.643 -5.671 1.00 0.38 C ATOM 130 C VAL A 9 3.030 6.302 -4.550 1.00 0.34 C ATOM 131 O VAL A 9 2.671 7.382 -4.073 1.00 0.35 O ATOM 132 CB VAL A 9 1.961 6.700 -6.768 1.00 0.43 C ATOM 133 CG1 VAL A 9 3.124 6.757 -7.746 1.00 0.53 C ATOM 134 CG2 VAL A 9 0.655 6.422 -7.502 1.00 1.09 C ATOM 0 H VAL A 9 0.487 5.661 -4.504 1.00 0.34 H new ATOM 0 HA VAL A 9 2.797 4.819 -6.102 1.00 0.38 H new ATOM 0 HB VAL A 9 1.867 7.671 -6.281 1.00 0.43 H new ATOM 0 HG11 VAL A 9 2.920 7.506 -8.511 1.00 0.53 H new ATOM 0 HG12 VAL A 9 4.036 7.024 -7.212 1.00 0.53 H new ATOM 0 HG13 VAL A 9 3.251 5.782 -8.217 1.00 0.53 H new ATOM 0 HG21 VAL A 9 0.498 7.183 -8.266 1.00 1.09 H new ATOM 0 HG22 VAL A 9 0.704 5.440 -7.973 1.00 1.09 H new ATOM 0 HG23 VAL A 9 -0.173 6.443 -6.793 1.00 1.09 H new ATOM 144 N PRO A 10 4.121 5.657 -4.099 1.00 0.34 N ATOM 145 CA PRO A 10 4.952 6.190 -3.029 1.00 0.32 C ATOM 146 C PRO A 10 5.381 7.642 -3.264 1.00 0.37 C ATOM 147 O PRO A 10 6.337 7.894 -3.998 1.00 0.64 O ATOM 148 CB PRO A 10 6.182 5.293 -3.023 1.00 0.38 C ATOM 149 CG PRO A 10 5.751 4.018 -3.661 1.00 0.39 C ATOM 150 CD PRO A 10 4.609 4.355 -4.583 1.00 0.42 C ATOM 0 HA PRO A 10 4.402 6.198 -2.088 1.00 0.32 H new ATOM 0 HB2 PRO A 10 7.003 5.750 -3.576 1.00 0.38 H new ATOM 0 HB3 PRO A 10 6.538 5.122 -2.007 1.00 0.38 H new ATOM 0 HG2 PRO A 10 6.574 3.566 -4.215 1.00 0.39 H new ATOM 0 HG3 PRO A 10 5.439 3.295 -2.907 1.00 0.39 H new ATOM 0 HD2 PRO A 10 4.940 4.415 -5.620 1.00 0.42 H new ATOM 0 HD3 PRO A 10 3.827 3.597 -4.541 1.00 0.42 H new ATOM 158 N LEU A 11 4.693 8.599 -2.636 1.00 0.34 N ATOM 159 CA LEU A 11 5.050 10.007 -2.790 1.00 0.43 C ATOM 160 C LEU A 11 6.510 10.193 -2.411 1.00 0.43 C ATOM 161 O LEU A 11 7.241 10.970 -3.025 1.00 0.57 O ATOM 162 CB LEU A 11 4.172 10.896 -1.905 1.00 0.56 C ATOM 163 CG LEU A 11 2.669 10.621 -1.983 1.00 0.92 C ATOM 164 CD1 LEU A 11 2.033 10.764 -0.608 1.00 1.12 C ATOM 165 CD2 LEU A 11 2.005 11.559 -2.980 1.00 1.64 C ATOM 0 H LEU A 11 3.896 8.426 -2.024 1.00 0.34 H new ATOM 0 HA LEU A 11 4.891 10.297 -3.828 1.00 0.43 H new ATOM 0 HB2 LEU A 11 4.492 10.778 -0.870 1.00 0.56 H new ATOM 0 HB3 LEU A 11 4.348 11.937 -2.177 1.00 0.56 H new ATOM 0 HG LEU A 11 2.522 9.597 -2.327 1.00 0.92 H new ATOM 0 HD11 LEU A 11 0.964 10.565 -0.679 1.00 1.12 H new ATOM 0 HD12 LEU A 11 2.489 10.052 0.080 1.00 1.12 H new ATOM 0 HD13 LEU A 11 2.190 11.777 -0.238 1.00 1.12 H new ATOM 0 HD21 LEU A 11 0.936 11.348 -3.022 1.00 1.64 H new ATOM 0 HD22 LEU A 11 2.159 12.592 -2.667 1.00 1.64 H new ATOM 0 HD23 LEU A 11 2.443 11.410 -3.967 1.00 1.64 H new ATOM 177 N ASN A 12 6.919 9.448 -1.392 1.00 0.34 N ATOM 178 CA ASN A 12 8.286 9.475 -0.902 1.00 0.36 C ATOM 179 C ASN A 12 8.736 8.049 -0.640 1.00 0.37 C ATOM 180 O ASN A 12 7.909 7.174 -0.391 1.00 0.58 O ATOM 181 CB ASN A 12 8.392 10.312 0.376 1.00 0.42 C ATOM 182 CG ASN A 12 9.819 10.420 0.877 1.00 0.58 C ATOM 183 OD1 ASN A 12 10.252 9.430 1.648 1.00 0.72 O flip ATOM 184 ND2 ASN A 12 10.524 11.383 0.574 1.00 0.71 N flip ATOM 0 H ASN A 12 6.309 8.808 -0.883 1.00 0.34 H new ATOM 0 HA ASN A 12 8.930 9.935 -1.651 1.00 0.36 H new ATOM 0 HB2 ASN A 12 7.999 11.311 0.187 1.00 0.42 H new ATOM 0 HB3 ASN A 12 7.770 9.866 1.152 1.00 0.42 H new ATOM 0 HD21 ASN A 12 10.150 12.122 -0.022 1.00 0.71 H new ATOM 0 HD22 ASN A 12 11.482 11.442 0.919 1.00 0.71 H new ATOM 191 N ILE A 13 10.032 7.800 -0.710 1.00 0.38 N ATOM 192 CA ILE A 13 10.534 6.457 -0.493 1.00 0.43 C ATOM 193 C ILE A 13 11.869 6.453 0.237 1.00 0.53 C ATOM 194 O ILE A 13 12.923 6.643 -0.371 1.00 0.75 O ATOM 195 CB ILE A 13 10.678 5.721 -1.829 1.00 0.48 C ATOM 196 CG1 ILE A 13 11.414 6.609 -2.834 1.00 0.49 C ATOM 197 CG2 ILE A 13 9.296 5.330 -2.347 1.00 0.53 C ATOM 198 CD1 ILE A 13 11.383 6.082 -4.248 1.00 0.96 C ATOM 0 H ILE A 13 10.746 8.500 -0.912 1.00 0.38 H new ATOM 0 HA ILE A 13 9.808 5.942 0.136 1.00 0.43 H new ATOM 0 HB ILE A 13 11.263 4.812 -1.689 1.00 0.48 H new ATOM 0 HG12 ILE A 13 10.971 7.605 -2.817 1.00 0.49 H new ATOM 0 HG13 ILE A 13 12.452 6.716 -2.519 1.00 0.49 H new ATOM 0 HG21 ILE A 13 9.398 4.806 -3.298 1.00 0.53 H new ATOM 0 HG22 ILE A 13 8.808 4.677 -1.624 1.00 0.53 H new ATOM 0 HG23 ILE A 13 8.694 6.227 -2.490 1.00 0.53 H new ATOM 0 HD11 ILE A 13 11.925 6.765 -4.903 1.00 0.96 H new ATOM 0 HD12 ILE A 13 11.853 5.099 -4.280 1.00 0.96 H new ATOM 0 HD13 ILE A 13 10.349 6.002 -4.584 1.00 0.96 H new ATOM 210 N THR A 14 11.818 6.223 1.546 1.00 0.59 N ATOM 211 CA THR A 14 13.028 6.181 2.355 1.00 0.71 C ATOM 212 C THR A 14 13.512 4.743 2.500 1.00 0.79 C ATOM 213 O THR A 14 12.721 3.820 2.689 1.00 1.46 O ATOM 214 CB THR A 14 12.794 6.807 3.730 1.00 0.75 C ATOM 215 OG1 THR A 14 11.619 7.598 3.732 1.00 0.69 O ATOM 216 CG2 THR A 14 13.936 7.690 4.184 1.00 0.94 C ATOM 0 H THR A 14 10.955 6.064 2.066 1.00 0.59 H new ATOM 0 HA THR A 14 13.797 6.764 1.848 1.00 0.71 H new ATOM 0 HB THR A 14 12.704 5.966 4.417 1.00 0.75 H new ATOM 0 HG1 THR A 14 10.832 7.014 3.731 1.00 0.69 H new ATOM 0 HG21 THR A 14 13.708 8.103 5.166 1.00 0.94 H new ATOM 0 HG22 THR A 14 14.851 7.100 4.242 1.00 0.94 H new ATOM 0 HG23 THR A 14 14.073 8.503 3.471 1.00 0.94 H new ATOM 224 N ARG A 15 14.817 4.570 2.387 1.00 0.66 N ATOM 225 CA ARG A 15 15.442 3.251 2.477 1.00 0.67 C ATOM 226 C ARG A 15 14.831 2.361 3.569 1.00 0.71 C ATOM 227 O ARG A 15 14.890 1.137 3.464 1.00 1.19 O ATOM 228 CB ARG A 15 16.960 3.369 2.684 1.00 0.80 C ATOM 229 CG ARG A 15 17.434 4.685 3.281 1.00 0.96 C ATOM 230 CD ARG A 15 16.743 4.993 4.598 1.00 1.13 C ATOM 231 NE ARG A 15 17.370 6.117 5.288 1.00 1.43 N ATOM 232 CZ ARG A 15 16.973 6.571 6.470 1.00 1.67 C ATOM 233 NH1 ARG A 15 15.953 5.999 7.095 1.00 2.42 N ATOM 234 NH2 ARG A 15 17.595 7.598 7.031 1.00 1.90 N ATOM 0 H ARG A 15 15.476 5.333 2.231 1.00 0.66 H new ATOM 0 HA ARG A 15 15.244 2.765 1.522 1.00 0.67 H new ATOM 0 HB2 ARG A 15 17.286 2.556 3.333 1.00 0.80 H new ATOM 0 HB3 ARG A 15 17.453 3.226 1.723 1.00 0.80 H new ATOM 0 HG2 ARG A 15 18.512 4.645 3.438 1.00 0.96 H new ATOM 0 HG3 ARG A 15 17.245 5.493 2.574 1.00 0.96 H new ATOM 0 HD2 ARG A 15 15.693 5.219 4.414 1.00 1.13 H new ATOM 0 HD3 ARG A 15 16.771 4.111 5.238 1.00 1.13 H new ATOM 0 HE ARG A 15 18.158 6.580 4.835 1.00 1.43 H new ATOM 0 HH11 ARG A 15 15.472 5.208 6.667 1.00 2.42 H new ATOM 0 HH12 ARG A 15 15.650 6.350 8.003 1.00 2.42 H new ATOM 0 HH21 ARG A 15 18.380 8.041 6.554 1.00 1.90 H new ATOM 0 HH22 ARG A 15 17.288 7.946 7.940 1.00 1.90 H new ATOM 248 N HIS A 16 14.249 2.954 4.612 1.00 0.50 N ATOM 249 CA HIS A 16 13.652 2.154 5.686 1.00 0.54 C ATOM 250 C HIS A 16 12.140 2.352 5.773 1.00 0.57 C ATOM 251 O HIS A 16 11.432 1.524 6.347 1.00 0.97 O ATOM 252 CB HIS A 16 14.287 2.492 7.034 1.00 0.67 C ATOM 253 CG HIS A 16 15.407 1.575 7.415 1.00 0.68 C ATOM 254 ND1 HIS A 16 15.390 0.767 8.529 1.00 0.97 N ATOM 255 CD2 HIS A 16 16.595 1.344 6.802 1.00 0.78 C ATOM 256 CE1 HIS A 16 16.544 0.086 8.559 1.00 1.02 C ATOM 257 NE2 HIS A 16 17.310 0.400 7.534 1.00 0.86 N ATOM 0 H HIS A 16 14.178 3.964 4.737 1.00 0.50 H new ATOM 0 HA HIS A 16 13.847 1.109 5.445 1.00 0.54 H new ATOM 0 HB2 HIS A 16 14.661 3.515 7.004 1.00 0.67 H new ATOM 0 HB3 HIS A 16 13.520 2.456 7.807 1.00 0.67 H new ATOM 0 HD2 HIS A 16 16.932 1.817 5.891 1.00 0.78 H new ATOM 0 HE1 HIS A 16 16.811 -0.628 9.324 1.00 1.02 H new ATOM 0 HE2 HIS A 16 18.236 0.028 7.321 1.00 0.86 H new ATOM 265 N THR A 17 11.649 3.448 5.212 1.00 0.43 N ATOM 266 CA THR A 17 10.221 3.742 5.237 1.00 0.42 C ATOM 267 C THR A 17 9.806 4.495 3.982 1.00 0.38 C ATOM 268 O THR A 17 10.338 5.564 3.690 1.00 0.56 O ATOM 269 CB THR A 17 9.870 4.568 6.474 1.00 0.56 C ATOM 270 OG1 THR A 17 10.472 5.849 6.410 1.00 0.65 O ATOM 271 CG2 THR A 17 10.309 3.918 7.767 1.00 0.68 C ATOM 0 H THR A 17 12.216 4.148 4.734 1.00 0.43 H new ATOM 0 HA THR A 17 9.680 2.796 5.274 1.00 0.42 H new ATOM 0 HB THR A 17 8.783 4.644 6.474 1.00 0.56 H new ATOM 0 HG1 THR A 17 10.595 6.106 5.472 1.00 0.65 H new ATOM 0 HG21 THR A 17 10.031 4.554 8.607 1.00 0.68 H new ATOM 0 HG22 THR A 17 9.823 2.948 7.870 1.00 0.68 H new ATOM 0 HG23 THR A 17 11.391 3.783 7.757 1.00 0.68 H new ATOM 279 N VAL A 18 8.858 3.941 3.234 1.00 0.27 N ATOM 280 CA VAL A 18 8.398 4.586 2.015 1.00 0.33 C ATOM 281 C VAL A 18 6.969 5.104 2.148 1.00 0.32 C ATOM 282 O VAL A 18 6.055 4.353 2.483 1.00 0.51 O ATOM 283 CB VAL A 18 8.477 3.645 0.794 1.00 0.44 C ATOM 284 CG1 VAL A 18 9.884 3.085 0.609 1.00 0.46 C ATOM 285 CG2 VAL A 18 7.445 2.542 0.866 1.00 0.80 C ATOM 0 H VAL A 18 8.399 3.056 3.449 1.00 0.27 H new ATOM 0 HA VAL A 18 9.070 5.429 1.856 1.00 0.33 H new ATOM 0 HB VAL A 18 8.245 4.243 -0.087 1.00 0.44 H new ATOM 0 HG11 VAL A 18 9.902 2.427 -0.260 1.00 0.46 H new ATOM 0 HG12 VAL A 18 10.585 3.906 0.457 1.00 0.46 H new ATOM 0 HG13 VAL A 18 10.171 2.522 1.497 1.00 0.46 H new ATOM 0 HG21 VAL A 18 7.534 1.902 -0.012 1.00 0.80 H new ATOM 0 HG22 VAL A 18 7.609 1.949 1.766 1.00 0.80 H new ATOM 0 HG23 VAL A 18 6.447 2.979 0.896 1.00 0.80 H new ATOM 295 N THR A 19 6.776 6.389 1.871 1.00 0.27 N ATOM 296 CA THR A 19 5.447 6.977 1.948 1.00 0.24 C ATOM 297 C THR A 19 4.721 6.794 0.630 1.00 0.22 C ATOM 298 O THR A 19 5.344 6.856 -0.424 1.00 0.34 O ATOM 299 CB THR A 19 5.499 8.462 2.281 1.00 0.28 C ATOM 300 OG1 THR A 19 5.999 8.675 3.589 1.00 0.35 O ATOM 301 CG2 THR A 19 4.135 9.114 2.189 1.00 0.32 C ATOM 0 H THR A 19 7.515 7.036 1.594 1.00 0.27 H new ATOM 0 HA THR A 19 4.914 6.464 2.749 1.00 0.24 H new ATOM 0 HB THR A 19 6.164 8.913 1.545 1.00 0.28 H new ATOM 0 HG1 THR A 19 6.023 9.636 3.777 1.00 0.35 H new ATOM 0 HG21 THR A 19 4.220 10.173 2.435 1.00 0.32 H new ATOM 0 HG22 THR A 19 3.748 9.007 1.176 1.00 0.32 H new ATOM 0 HG23 THR A 19 3.454 8.633 2.890 1.00 0.32 H new ATOM 309 N LEU A 20 3.406 6.579 0.704 1.00 0.28 N ATOM 310 CA LEU A 20 2.594 6.385 -0.491 1.00 0.26 C ATOM 311 C LEU A 20 1.210 7.001 -0.361 1.00 0.28 C ATOM 312 O LEU A 20 0.654 7.114 0.735 1.00 0.40 O ATOM 313 CB LEU A 20 2.471 4.898 -0.836 1.00 0.33 C ATOM 314 CG LEU A 20 2.975 3.931 0.235 1.00 0.39 C ATOM 315 CD1 LEU A 20 1.992 2.801 0.452 1.00 0.52 C ATOM 316 CD2 LEU A 20 4.337 3.414 -0.164 1.00 0.50 C ATOM 0 H LEU A 20 2.884 6.535 1.579 1.00 0.28 H new ATOM 0 HA LEU A 20 3.110 6.900 -1.301 1.00 0.26 H new ATOM 0 HB2 LEU A 20 1.423 4.675 -1.038 1.00 0.33 H new ATOM 0 HB3 LEU A 20 3.021 4.710 -1.758 1.00 0.33 H new ATOM 0 HG LEU A 20 3.065 4.458 1.185 1.00 0.39 H new ATOM 0 HD11 LEU A 20 2.375 2.128 1.219 1.00 0.52 H new ATOM 0 HD12 LEU A 20 1.034 3.209 0.773 1.00 0.52 H new ATOM 0 HD13 LEU A 20 1.858 2.251 -0.480 1.00 0.52 H new ATOM 0 HD21 LEU A 20 4.701 2.724 0.597 1.00 0.50 H new ATOM 0 HD22 LEU A 20 4.264 2.895 -1.120 1.00 0.50 H new ATOM 0 HD23 LEU A 20 5.030 4.250 -0.257 1.00 0.50 H new ATOM 328 N LYS A 21 0.665 7.391 -1.507 1.00 0.25 N ATOM 329 CA LYS A 21 -0.660 7.995 -1.568 1.00 0.31 C ATOM 330 C LYS A 21 -1.373 7.564 -2.842 1.00 0.31 C ATOM 331 O LYS A 21 -0.732 7.330 -3.869 1.00 0.51 O ATOM 332 CB LYS A 21 -0.561 9.522 -1.508 1.00 0.40 C ATOM 333 CG LYS A 21 -1.875 10.232 -1.805 1.00 0.81 C ATOM 334 CD LYS A 21 -2.880 10.037 -0.681 1.00 0.95 C ATOM 335 CE LYS A 21 -3.714 11.289 -0.460 1.00 1.26 C ATOM 336 NZ LYS A 21 -4.598 11.581 -1.623 1.00 1.84 N ATOM 0 H LYS A 21 1.125 7.299 -2.413 1.00 0.25 H new ATOM 0 HA LYS A 21 -1.235 7.654 -0.707 1.00 0.31 H new ATOM 0 HB2 LYS A 21 -0.215 9.816 -0.517 1.00 0.40 H new ATOM 0 HB3 LYS A 21 0.192 9.857 -2.221 1.00 0.40 H new ATOM 0 HG2 LYS A 21 -1.690 11.297 -1.949 1.00 0.81 H new ATOM 0 HG3 LYS A 21 -2.292 9.852 -2.738 1.00 0.81 H new ATOM 0 HD2 LYS A 21 -3.535 9.199 -0.918 1.00 0.95 H new ATOM 0 HD3 LYS A 21 -2.354 9.781 0.239 1.00 0.95 H new ATOM 0 HE2 LYS A 21 -4.322 11.166 0.436 1.00 1.26 H new ATOM 0 HE3 LYS A 21 -3.054 12.138 -0.284 1.00 1.26 H new ATOM 0 HZ1 LYS A 21 -5.507 11.955 -1.283 1.00 1.84 H new ATOM 0 HZ2 LYS A 21 -4.142 12.285 -2.238 1.00 1.84 H new ATOM 0 HZ3 LYS A 21 -4.763 10.707 -2.162 1.00 1.84 H new ATOM 350 N TRP A 22 -2.694 7.450 -2.777 1.00 0.25 N ATOM 351 CA TRP A 22 -3.466 7.035 -3.936 1.00 0.24 C ATOM 352 C TRP A 22 -4.776 7.797 -4.058 1.00 0.24 C ATOM 353 O TRP A 22 -5.065 8.701 -3.274 1.00 0.40 O ATOM 354 CB TRP A 22 -3.747 5.542 -3.857 1.00 0.27 C ATOM 355 CG TRP A 22 -4.405 5.115 -2.584 1.00 0.26 C ATOM 356 CD1 TRP A 22 -5.730 4.853 -2.396 1.00 0.32 C ATOM 357 CD2 TRP A 22 -3.766 4.891 -1.325 1.00 0.25 C ATOM 358 NE1 TRP A 22 -5.954 4.482 -1.096 1.00 0.33 N ATOM 359 CE2 TRP A 22 -4.765 4.496 -0.416 1.00 0.28 C ATOM 360 CE3 TRP A 22 -2.447 4.986 -0.877 1.00 0.27 C ATOM 361 CZ2 TRP A 22 -4.486 4.195 0.914 1.00 0.31 C ATOM 362 CZ3 TRP A 22 -2.167 4.688 0.444 1.00 0.31 C ATOM 363 CH2 TRP A 22 -3.183 4.296 1.326 1.00 0.32 C ATOM 0 H TRP A 22 -3.247 7.638 -1.941 1.00 0.25 H new ATOM 0 HA TRP A 22 -2.873 7.259 -4.822 1.00 0.24 H new ATOM 0 HB2 TRP A 22 -4.382 5.257 -4.696 1.00 0.27 H new ATOM 0 HB3 TRP A 22 -2.808 4.999 -3.969 1.00 0.27 H new ATOM 0 HD1 TRP A 22 -6.491 4.927 -3.159 1.00 0.32 H new ATOM 0 HE1 TRP A 22 -6.860 4.235 -0.699 1.00 0.33 H new ATOM 0 HE3 TRP A 22 -1.659 5.287 -1.551 1.00 0.27 H new ATOM 0 HZ2 TRP A 22 -5.267 3.893 1.596 1.00 0.31 H new ATOM 0 HZ3 TRP A 22 -1.150 4.758 0.801 1.00 0.31 H new ATOM 0 HH2 TRP A 22 -2.934 4.069 2.352 1.00 0.32 H new ATOM 374 N ALA A 23 -5.566 7.416 -5.057 1.00 0.31 N ATOM 375 CA ALA A 23 -6.853 8.045 -5.307 1.00 0.33 C ATOM 376 C ALA A 23 -7.934 7.459 -4.405 1.00 0.36 C ATOM 377 O ALA A 23 -7.638 6.859 -3.372 1.00 0.83 O ATOM 378 CB ALA A 23 -7.233 7.880 -6.772 1.00 0.36 C ATOM 0 H ALA A 23 -5.332 6.668 -5.710 1.00 0.31 H new ATOM 0 HA ALA A 23 -6.769 9.107 -5.079 1.00 0.33 H new ATOM 0 HB1 ALA A 23 -8.198 8.353 -6.953 1.00 0.36 H new ATOM 0 HB2 ALA A 23 -6.475 8.349 -7.400 1.00 0.36 H new ATOM 0 HB3 ALA A 23 -7.298 6.819 -7.014 1.00 0.36 H new ATOM 384 N LYS A 24 -9.188 7.638 -4.805 1.00 0.59 N ATOM 385 CA LYS A 24 -10.319 7.131 -4.042 1.00 0.61 C ATOM 386 C LYS A 24 -11.271 6.370 -4.957 1.00 0.59 C ATOM 387 O LYS A 24 -11.481 6.764 -6.103 1.00 0.69 O ATOM 388 CB LYS A 24 -11.054 8.295 -3.371 1.00 0.74 C ATOM 389 CG LYS A 24 -11.917 7.887 -2.189 1.00 1.21 C ATOM 390 CD LYS A 24 -13.311 7.465 -2.636 1.00 1.22 C ATOM 391 CE LYS A 24 -14.073 6.779 -1.514 1.00 1.55 C ATOM 392 NZ LYS A 24 -13.786 7.393 -0.188 1.00 2.11 N ATOM 0 H LYS A 24 -9.446 8.133 -5.658 1.00 0.59 H new ATOM 0 HA LYS A 24 -9.953 6.450 -3.274 1.00 0.61 H new ATOM 0 HB2 LYS A 24 -10.321 9.028 -3.035 1.00 0.74 H new ATOM 0 HB3 LYS A 24 -11.682 8.789 -4.112 1.00 0.74 H new ATOM 0 HG2 LYS A 24 -11.440 7.065 -1.655 1.00 1.21 H new ATOM 0 HG3 LYS A 24 -11.994 8.719 -1.489 1.00 1.21 H new ATOM 0 HD2 LYS A 24 -13.867 8.340 -2.972 1.00 1.22 H new ATOM 0 HD3 LYS A 24 -13.232 6.791 -3.489 1.00 1.22 H new ATOM 0 HE2 LYS A 24 -15.143 6.835 -1.715 1.00 1.55 H new ATOM 0 HE3 LYS A 24 -13.808 5.722 -1.489 1.00 1.55 H new ATOM 0 HZ1 LYS A 24 -14.508 7.092 0.497 1.00 2.11 H new ATOM 0 HZ2 LYS A 24 -12.848 7.087 0.140 1.00 2.11 H new ATOM 0 HZ3 LYS A 24 -13.802 8.429 -0.275 1.00 2.11 H new ATOM 406 N PRO A 25 -11.862 5.268 -4.468 1.00 0.56 N ATOM 407 CA PRO A 25 -12.796 4.464 -5.258 1.00 0.63 C ATOM 408 C PRO A 25 -13.795 5.322 -6.031 1.00 0.75 C ATOM 409 O PRO A 25 -13.863 6.537 -5.847 1.00 0.89 O ATOM 410 CB PRO A 25 -13.509 3.640 -4.198 1.00 0.63 C ATOM 411 CG PRO A 25 -12.491 3.451 -3.130 1.00 0.71 C ATOM 412 CD PRO A 25 -11.675 4.715 -3.109 1.00 0.58 C ATOM 0 HA PRO A 25 -12.290 3.871 -6.020 1.00 0.63 H new ATOM 0 HB2 PRO A 25 -14.391 4.157 -3.819 1.00 0.63 H new ATOM 0 HB3 PRO A 25 -13.847 2.684 -4.598 1.00 0.63 H new ATOM 0 HG2 PRO A 25 -12.966 3.277 -2.164 1.00 0.71 H new ATOM 0 HG3 PRO A 25 -11.863 2.584 -3.338 1.00 0.71 H new ATOM 0 HD2 PRO A 25 -12.025 5.406 -2.342 1.00 0.58 H new ATOM 0 HD3 PRO A 25 -10.625 4.512 -2.899 1.00 0.58 H new ATOM 420 N GLU A 26 -14.567 4.681 -6.902 1.00 0.85 N ATOM 421 CA GLU A 26 -15.557 5.388 -7.710 1.00 1.05 C ATOM 422 C GLU A 26 -16.983 5.115 -7.238 1.00 0.95 C ATOM 423 O GLU A 26 -17.807 6.028 -7.183 1.00 1.12 O ATOM 424 CB GLU A 26 -15.417 4.991 -9.179 1.00 1.29 C ATOM 425 CG GLU A 26 -14.224 5.628 -9.873 1.00 1.83 C ATOM 426 CD GLU A 26 -13.603 6.746 -9.057 1.00 2.18 C ATOM 427 OE1 GLU A 26 -13.378 6.542 -7.845 1.00 2.77 O ATOM 428 OE2 GLU A 26 -13.344 7.825 -9.629 1.00 2.53 O ATOM 0 H GLU A 26 -14.527 3.675 -7.067 1.00 0.85 H new ATOM 0 HA GLU A 26 -15.367 6.455 -7.596 1.00 1.05 H new ATOM 0 HB2 GLU A 26 -15.329 3.907 -9.246 1.00 1.29 H new ATOM 0 HB3 GLU A 26 -16.327 5.270 -9.710 1.00 1.29 H new ATOM 0 HG2 GLU A 26 -13.471 4.864 -10.068 1.00 1.83 H new ATOM 0 HG3 GLU A 26 -14.538 6.020 -10.840 1.00 1.83 H new ATOM 435 N TYR A 27 -17.281 3.862 -6.909 1.00 0.85 N ATOM 436 CA TYR A 27 -18.623 3.505 -6.459 1.00 0.84 C ATOM 437 C TYR A 27 -18.628 2.962 -5.033 1.00 0.86 C ATOM 438 O TYR A 27 -19.119 3.620 -4.115 1.00 1.37 O ATOM 439 CB TYR A 27 -19.250 2.478 -7.405 1.00 0.86 C ATOM 440 CG TYR A 27 -20.761 2.441 -7.335 1.00 0.94 C ATOM 441 CD1 TYR A 27 -21.518 3.524 -7.762 1.00 1.15 C ATOM 442 CD2 TYR A 27 -21.427 1.328 -6.838 1.00 0.93 C ATOM 443 CE1 TYR A 27 -22.898 3.498 -7.699 1.00 1.28 C ATOM 444 CE2 TYR A 27 -22.807 1.295 -6.772 1.00 1.04 C ATOM 445 CZ TYR A 27 -23.538 2.382 -7.202 1.00 1.19 C ATOM 446 OH TYR A 27 -24.911 2.353 -7.138 1.00 1.35 O ATOM 0 H TYR A 27 -16.621 3.085 -6.944 1.00 0.85 H new ATOM 0 HA TYR A 27 -19.215 4.420 -6.469 1.00 0.84 H new ATOM 0 HB2 TYR A 27 -18.946 2.704 -8.427 1.00 0.86 H new ATOM 0 HB3 TYR A 27 -18.858 1.489 -7.167 1.00 0.86 H new ATOM 0 HD1 TYR A 27 -21.020 4.401 -8.150 1.00 1.15 H new ATOM 0 HD2 TYR A 27 -20.858 0.475 -6.498 1.00 0.93 H new ATOM 0 HE1 TYR A 27 -23.473 4.347 -8.037 1.00 1.28 H new ATOM 0 HE2 TYR A 27 -23.311 0.421 -6.385 1.00 1.04 H new ATOM 0 HH TYR A 27 -25.203 1.495 -6.765 1.00 1.35 H new ATOM 456 N THR A 28 -18.095 1.757 -4.854 1.00 0.65 N ATOM 457 CA THR A 28 -18.057 1.126 -3.537 1.00 0.61 C ATOM 458 C THR A 28 -19.466 0.940 -2.996 1.00 0.66 C ATOM 459 O THR A 28 -19.743 1.251 -1.838 1.00 0.81 O ATOM 460 CB THR A 28 -17.234 1.959 -2.558 1.00 0.64 C ATOM 461 OG1 THR A 28 -17.987 3.050 -2.060 1.00 0.91 O ATOM 462 CG2 THR A 28 -15.971 2.513 -3.168 1.00 0.79 C ATOM 0 H THR A 28 -17.684 1.198 -5.602 1.00 0.65 H new ATOM 0 HA THR A 28 -17.585 0.150 -3.646 1.00 0.61 H new ATOM 0 HB THR A 28 -16.964 1.274 -1.755 1.00 0.64 H new ATOM 0 HG1 THR A 28 -18.260 3.626 -2.804 1.00 0.91 H new ATOM 0 HG21 THR A 28 -15.431 3.095 -2.421 1.00 0.79 H new ATOM 0 HG22 THR A 28 -15.342 1.692 -3.512 1.00 0.79 H new ATOM 0 HG23 THR A 28 -16.225 3.153 -4.013 1.00 0.79 H new ATOM 470 N GLY A 29 -20.359 0.434 -3.843 1.00 0.75 N ATOM 471 CA GLY A 29 -21.735 0.218 -3.432 1.00 0.80 C ATOM 472 C GLY A 29 -22.303 1.409 -2.682 1.00 0.85 C ATOM 473 O GLY A 29 -22.533 2.469 -3.265 1.00 1.01 O ATOM 0 H GLY A 29 -20.154 0.170 -4.807 1.00 0.75 H new ATOM 0 HA2 GLY A 29 -22.348 0.018 -4.311 1.00 0.80 H new ATOM 0 HA3 GLY A 29 -21.788 -0.667 -2.798 1.00 0.80 H new ATOM 477 N GLY A 30 -22.512 1.237 -1.384 1.00 0.83 N ATOM 478 CA GLY A 30 -23.033 2.307 -0.558 1.00 0.89 C ATOM 479 C GLY A 30 -22.164 2.506 0.661 1.00 0.85 C ATOM 480 O GLY A 30 -22.643 2.864 1.737 1.00 0.98 O ATOM 0 H GLY A 30 -22.328 0.367 -0.885 1.00 0.83 H new ATOM 0 HA2 GLY A 30 -23.077 3.231 -1.135 1.00 0.89 H new ATOM 0 HA3 GLY A 30 -24.052 2.074 -0.251 1.00 0.89 H new ATOM 484 N PHE A 31 -20.874 2.245 0.482 1.00 0.73 N ATOM 485 CA PHE A 31 -19.899 2.362 1.558 1.00 0.69 C ATOM 486 C PHE A 31 -18.893 3.478 1.282 1.00 0.67 C ATOM 487 O PHE A 31 -18.987 4.179 0.275 1.00 0.74 O ATOM 488 CB PHE A 31 -19.149 1.036 1.741 1.00 0.63 C ATOM 489 CG PHE A 31 -19.813 -0.164 1.108 1.00 0.67 C ATOM 490 CD1 PHE A 31 -20.929 -0.753 1.690 1.00 0.79 C ATOM 491 CD2 PHE A 31 -19.318 -0.699 -0.070 1.00 0.64 C ATOM 492 CE1 PHE A 31 -21.532 -1.852 1.106 1.00 0.87 C ATOM 493 CE2 PHE A 31 -19.918 -1.796 -0.657 1.00 0.73 C ATOM 494 CZ PHE A 31 -21.044 -2.377 -0.044 1.00 0.83 C ATOM 0 H PHE A 31 -20.477 1.948 -0.409 1.00 0.73 H new ATOM 0 HA PHE A 31 -20.444 2.606 2.470 1.00 0.69 H new ATOM 0 HB2 PHE A 31 -18.148 1.141 1.323 1.00 0.63 H new ATOM 0 HB3 PHE A 31 -19.031 0.847 2.808 1.00 0.63 H new ATOM 0 HD1 PHE A 31 -21.329 -0.348 2.608 1.00 0.79 H new ATOM 0 HD2 PHE A 31 -18.452 -0.253 -0.535 1.00 0.64 H new ATOM 0 HE1 PHE A 31 -22.400 -2.296 1.571 1.00 0.87 H new ATOM 0 HE2 PHE A 31 -19.527 -2.204 -1.577 1.00 0.73 H new ATOM 0 HZ PHE A 31 -21.518 -3.239 -0.489 1.00 0.83 H new ATOM 504 N LYS A 32 -17.928 3.630 2.189 1.00 0.68 N ATOM 505 CA LYS A 32 -16.899 4.657 2.050 1.00 0.72 C ATOM 506 C LYS A 32 -15.549 4.185 2.597 1.00 0.66 C ATOM 507 O LYS A 32 -14.647 4.993 2.816 1.00 0.74 O ATOM 508 CB LYS A 32 -17.328 5.936 2.770 1.00 0.86 C ATOM 509 CG LYS A 32 -17.444 5.776 4.277 1.00 1.38 C ATOM 510 CD LYS A 32 -16.475 6.687 5.013 1.00 1.38 C ATOM 511 CE LYS A 32 -16.282 6.242 6.453 1.00 1.50 C ATOM 512 NZ LYS A 32 -17.057 7.087 7.402 1.00 2.26 N ATOM 0 H LYS A 32 -17.838 3.055 3.027 1.00 0.68 H new ATOM 0 HA LYS A 32 -16.780 4.859 0.986 1.00 0.72 H new ATOM 0 HB2 LYS A 32 -16.609 6.725 2.551 1.00 0.86 H new ATOM 0 HB3 LYS A 32 -18.289 6.262 2.373 1.00 0.86 H new ATOM 0 HG2 LYS A 32 -18.464 6.000 4.590 1.00 1.38 H new ATOM 0 HG3 LYS A 32 -17.248 4.739 4.550 1.00 1.38 H new ATOM 0 HD2 LYS A 32 -15.514 6.689 4.499 1.00 1.38 H new ATOM 0 HD3 LYS A 32 -16.849 7.711 4.994 1.00 1.38 H new ATOM 0 HE2 LYS A 32 -16.591 5.202 6.556 1.00 1.50 H new ATOM 0 HE3 LYS A 32 -15.223 6.286 6.708 1.00 1.50 H new ATOM 0 HZ1 LYS A 32 -16.899 6.752 8.374 1.00 2.26 H new ATOM 0 HZ2 LYS A 32 -16.744 8.076 7.322 1.00 2.26 H new ATOM 0 HZ3 LYS A 32 -18.070 7.025 7.175 1.00 2.26 H new ATOM 526 N ILE A 33 -15.408 2.878 2.809 1.00 0.67 N ATOM 527 CA ILE A 33 -14.159 2.320 3.323 1.00 0.66 C ATOM 528 C ILE A 33 -13.826 2.885 4.704 1.00 0.80 C ATOM 529 O ILE A 33 -14.222 4.003 5.035 1.00 1.71 O ATOM 530 CB ILE A 33 -12.994 2.606 2.357 1.00 0.59 C ATOM 531 CG1 ILE A 33 -13.416 2.237 0.913 1.00 0.79 C ATOM 532 CG2 ILE A 33 -11.741 1.866 2.817 1.00 0.58 C ATOM 533 CD1 ILE A 33 -12.384 1.482 0.092 1.00 0.91 C ATOM 0 H ILE A 33 -16.139 2.189 2.634 1.00 0.67 H new ATOM 0 HA ILE A 33 -14.296 1.242 3.410 1.00 0.66 H new ATOM 0 HB ILE A 33 -12.751 3.669 2.361 1.00 0.59 H new ATOM 0 HG12 ILE A 33 -14.323 1.635 0.963 1.00 0.79 H new ATOM 0 HG13 ILE A 33 -13.672 3.155 0.384 1.00 0.79 H new ATOM 0 HG21 ILE A 33 -10.922 2.074 2.128 1.00 0.58 H new ATOM 0 HG22 ILE A 33 -11.467 2.201 3.818 1.00 0.58 H new ATOM 0 HG23 ILE A 33 -11.937 0.794 2.834 1.00 0.58 H new ATOM 0 HD11 ILE A 33 -12.787 1.277 -0.900 1.00 0.91 H new ATOM 0 HD12 ILE A 33 -11.481 2.085 -0.001 1.00 0.91 H new ATOM 0 HD13 ILE A 33 -12.143 0.541 0.587 1.00 0.91 H new ATOM 545 N THR A 34 -13.104 2.107 5.512 1.00 0.72 N ATOM 546 CA THR A 34 -12.737 2.543 6.859 1.00 0.73 C ATOM 547 C THR A 34 -11.309 2.140 7.238 1.00 0.59 C ATOM 548 O THR A 34 -10.903 2.300 8.389 1.00 0.76 O ATOM 549 CB THR A 34 -13.718 1.969 7.880 1.00 0.99 C ATOM 550 OG1 THR A 34 -13.667 0.554 7.881 1.00 1.09 O ATOM 551 CG2 THR A 34 -15.153 2.376 7.627 1.00 1.15 C ATOM 0 H THR A 34 -12.764 1.179 5.259 1.00 0.72 H new ATOM 0 HA THR A 34 -12.783 3.632 6.865 1.00 0.73 H new ATOM 0 HB THR A 34 -13.407 2.377 8.841 1.00 0.99 H new ATOM 0 HG1 THR A 34 -14.300 0.204 8.542 1.00 1.09 H new ATOM 0 HG21 THR A 34 -15.796 1.934 8.388 1.00 1.15 H new ATOM 0 HG22 THR A 34 -15.236 3.462 7.668 1.00 1.15 H new ATOM 0 HG23 THR A 34 -15.462 2.025 6.642 1.00 1.15 H new ATOM 559 N SER A 35 -10.548 1.621 6.280 1.00 0.49 N ATOM 560 CA SER A 35 -9.172 1.208 6.545 1.00 0.47 C ATOM 561 C SER A 35 -8.504 0.693 5.278 1.00 0.45 C ATOM 562 O SER A 35 -9.016 -0.211 4.620 1.00 0.72 O ATOM 563 CB SER A 35 -9.137 0.124 7.620 1.00 0.64 C ATOM 564 OG SER A 35 -7.811 -0.320 7.855 1.00 1.58 O ATOM 0 H SER A 35 -10.857 1.476 5.319 1.00 0.49 H new ATOM 0 HA SER A 35 -8.624 2.081 6.899 1.00 0.47 H new ATOM 0 HB2 SER A 35 -9.563 0.511 8.545 1.00 0.64 H new ATOM 0 HB3 SER A 35 -9.756 -0.718 7.312 1.00 0.64 H new ATOM 0 HG SER A 35 -7.816 -1.012 8.548 1.00 1.58 H new ATOM 570 N TYR A 36 -7.359 1.276 4.941 1.00 0.27 N ATOM 571 CA TYR A 36 -6.628 0.872 3.750 1.00 0.28 C ATOM 572 C TYR A 36 -5.353 0.117 4.105 1.00 0.33 C ATOM 573 O TYR A 36 -4.324 0.721 4.408 1.00 0.68 O ATOM 574 CB TYR A 36 -6.293 2.099 2.904 1.00 0.29 C ATOM 575 CG TYR A 36 -7.513 2.806 2.372 1.00 0.33 C ATOM 576 CD1 TYR A 36 -8.411 3.421 3.231 1.00 0.57 C ATOM 577 CD2 TYR A 36 -7.765 2.857 1.010 1.00 0.53 C ATOM 578 CE1 TYR A 36 -9.530 4.068 2.748 1.00 0.67 C ATOM 579 CE2 TYR A 36 -8.881 3.503 0.516 1.00 0.64 C ATOM 580 CZ TYR A 36 -9.760 4.108 1.389 1.00 0.60 C ATOM 581 OH TYR A 36 -10.874 4.753 0.902 1.00 0.76 O ATOM 0 H TYR A 36 -6.920 2.027 5.474 1.00 0.27 H new ATOM 0 HA TYR A 36 -7.265 0.198 3.177 1.00 0.28 H new ATOM 0 HB2 TYR A 36 -5.709 2.797 3.504 1.00 0.29 H new ATOM 0 HB3 TYR A 36 -5.664 1.795 2.067 1.00 0.29 H new ATOM 0 HD1 TYR A 36 -8.232 3.393 4.296 1.00 0.57 H new ATOM 0 HD2 TYR A 36 -7.078 2.384 0.324 1.00 0.53 H new ATOM 0 HE1 TYR A 36 -10.221 4.540 3.430 1.00 0.67 H new ATOM 0 HE2 TYR A 36 -9.064 3.534 -0.548 1.00 0.64 H new ATOM 0 HH TYR A 36 -10.887 4.690 -0.076 1.00 0.76 H new ATOM 591 N ILE A 37 -5.429 -1.208 4.055 1.00 0.24 N ATOM 592 CA ILE A 37 -4.279 -2.050 4.360 1.00 0.26 C ATOM 593 C ILE A 37 -3.495 -2.348 3.089 1.00 0.33 C ATOM 594 O ILE A 37 -4.054 -2.846 2.111 1.00 0.70 O ATOM 595 CB ILE A 37 -4.700 -3.385 5.010 1.00 0.36 C ATOM 596 CG1 ILE A 37 -5.906 -3.183 5.932 1.00 0.41 C ATOM 597 CG2 ILE A 37 -3.535 -3.989 5.779 1.00 0.46 C ATOM 598 CD1 ILE A 37 -7.174 -3.834 5.423 1.00 1.14 C ATOM 0 H ILE A 37 -6.274 -1.722 3.806 1.00 0.24 H new ATOM 0 HA ILE A 37 -3.658 -1.501 5.068 1.00 0.26 H new ATOM 0 HB ILE A 37 -4.990 -4.076 4.219 1.00 0.36 H new ATOM 0 HG12 ILE A 37 -5.671 -3.586 6.917 1.00 0.41 H new ATOM 0 HG13 ILE A 37 -6.081 -2.115 6.058 1.00 0.41 H new ATOM 0 HG21 ILE A 37 -3.847 -4.930 6.232 1.00 0.46 H new ATOM 0 HG22 ILE A 37 -2.705 -4.172 5.097 1.00 0.46 H new ATOM 0 HG23 ILE A 37 -3.217 -3.298 6.560 1.00 0.46 H new ATOM 0 HD11 ILE A 37 -7.986 -3.649 6.127 1.00 1.14 H new ATOM 0 HD12 ILE A 37 -7.434 -3.414 4.451 1.00 1.14 H new ATOM 0 HD13 ILE A 37 -7.017 -4.908 5.324 1.00 1.14 H new ATOM 610 N VAL A 38 -2.204 -2.036 3.097 1.00 0.36 N ATOM 611 CA VAL A 38 -1.371 -2.273 1.924 1.00 0.42 C ATOM 612 C VAL A 38 -0.372 -3.401 2.165 1.00 0.35 C ATOM 613 O VAL A 38 0.484 -3.319 3.046 1.00 0.48 O ATOM 614 CB VAL A 38 -0.664 -0.959 1.435 1.00 0.63 C ATOM 615 CG1 VAL A 38 -0.483 0.024 2.579 1.00 0.46 C ATOM 616 CG2 VAL A 38 0.659 -1.207 0.712 1.00 0.51 C ATOM 0 H VAL A 38 -1.716 -1.623 3.892 1.00 0.36 H new ATOM 0 HA VAL A 38 -2.031 -2.595 1.119 1.00 0.42 H new ATOM 0 HB VAL A 38 -1.333 -0.519 0.695 1.00 0.63 H new ATOM 0 HG11 VAL A 38 0.009 0.924 2.211 1.00 0.46 H new ATOM 0 HG12 VAL A 38 -1.457 0.286 2.991 1.00 0.46 H new ATOM 0 HG13 VAL A 38 0.129 -0.432 3.357 1.00 0.46 H new ATOM 0 HG21 VAL A 38 1.089 -0.254 0.404 1.00 0.51 H new ATOM 0 HG22 VAL A 38 1.350 -1.717 1.383 1.00 0.51 H new ATOM 0 HG23 VAL A 38 0.483 -1.827 -0.167 1.00 0.51 H new ATOM 626 N GLU A 39 -0.491 -4.453 1.355 1.00 0.30 N ATOM 627 CA GLU A 39 0.397 -5.598 1.453 1.00 0.33 C ATOM 628 C GLU A 39 1.760 -5.229 0.892 1.00 0.32 C ATOM 629 O GLU A 39 1.854 -4.564 -0.142 1.00 0.43 O ATOM 630 CB GLU A 39 -0.187 -6.794 0.699 1.00 0.42 C ATOM 631 CG GLU A 39 -1.640 -7.071 1.048 1.00 0.51 C ATOM 632 CD GLU A 39 -2.023 -8.522 0.840 1.00 0.92 C ATOM 633 OE1 GLU A 39 -2.188 -8.931 -0.329 1.00 1.52 O ATOM 634 OE2 GLU A 39 -2.157 -9.251 1.846 1.00 1.67 O ATOM 0 H GLU A 39 -1.198 -4.530 0.624 1.00 0.30 H new ATOM 0 HA GLU A 39 0.505 -5.879 2.501 1.00 0.33 H new ATOM 0 HB2 GLU A 39 -0.106 -6.614 -0.373 1.00 0.42 H new ATOM 0 HB3 GLU A 39 0.408 -7.680 0.920 1.00 0.42 H new ATOM 0 HG2 GLU A 39 -1.818 -6.798 2.088 1.00 0.51 H new ATOM 0 HG3 GLU A 39 -2.284 -6.438 0.437 1.00 0.51 H new ATOM 641 N LYS A 40 2.811 -5.648 1.579 1.00 0.28 N ATOM 642 CA LYS A 40 4.151 -5.358 1.174 1.00 0.31 C ATOM 643 C LYS A 40 4.790 -6.582 0.554 1.00 0.29 C ATOM 644 O LYS A 40 4.515 -7.712 0.961 1.00 0.35 O ATOM 645 CB LYS A 40 4.935 -4.942 2.401 1.00 0.43 C ATOM 646 CG LYS A 40 6.380 -4.729 2.126 1.00 0.92 C ATOM 647 CD LYS A 40 7.098 -4.130 3.325 1.00 1.14 C ATOM 648 CE LYS A 40 7.483 -5.198 4.334 1.00 1.65 C ATOM 649 NZ LYS A 40 6.719 -5.062 5.604 1.00 1.97 N ATOM 0 H LYS A 40 2.744 -6.200 2.434 1.00 0.28 H new ATOM 0 HA LYS A 40 4.148 -4.559 0.432 1.00 0.31 H new ATOM 0 HB2 LYS A 40 4.509 -4.023 2.803 1.00 0.43 H new ATOM 0 HB3 LYS A 40 4.827 -5.707 3.170 1.00 0.43 H new ATOM 0 HG2 LYS A 40 6.844 -5.679 1.861 1.00 0.92 H new ATOM 0 HG3 LYS A 40 6.493 -4.068 1.266 1.00 0.92 H new ATOM 0 HD2 LYS A 40 7.993 -3.605 2.990 1.00 1.14 H new ATOM 0 HD3 LYS A 40 6.455 -3.391 3.803 1.00 1.14 H new ATOM 0 HE2 LYS A 40 7.303 -6.184 3.906 1.00 1.65 H new ATOM 0 HE3 LYS A 40 8.551 -5.132 4.544 1.00 1.65 H new ATOM 0 HZ1 LYS A 40 7.011 -5.809 6.266 1.00 1.97 H new ATOM 0 HZ2 LYS A 40 6.910 -4.131 6.026 1.00 1.97 H new ATOM 0 HZ3 LYS A 40 5.701 -5.151 5.408 1.00 1.97 H new ATOM 663 N ARG A 41 5.646 -6.363 -0.421 1.00 0.36 N ATOM 664 CA ARG A 41 6.316 -7.462 -1.076 1.00 0.40 C ATOM 665 C ARG A 41 7.818 -7.230 -1.107 1.00 0.41 C ATOM 666 O ARG A 41 8.358 -6.688 -2.074 1.00 0.43 O ATOM 667 CB ARG A 41 5.760 -7.649 -2.490 1.00 0.46 C ATOM 668 CG ARG A 41 6.479 -8.705 -3.311 1.00 0.58 C ATOM 669 CD ARG A 41 5.536 -9.819 -3.735 1.00 0.88 C ATOM 670 NE ARG A 41 5.200 -9.744 -5.154 1.00 0.95 N ATOM 671 CZ ARG A 41 4.576 -10.714 -5.814 1.00 1.13 C ATOM 672 NH1 ARG A 41 4.224 -11.827 -5.183 1.00 1.44 N ATOM 673 NH2 ARG A 41 4.303 -10.573 -7.104 1.00 1.44 N ATOM 0 H ARG A 41 5.892 -5.439 -0.775 1.00 0.36 H new ATOM 0 HA ARG A 41 6.130 -8.375 -0.510 1.00 0.40 H new ATOM 0 HB2 ARG A 41 4.705 -7.916 -2.421 1.00 0.46 H new ATOM 0 HB3 ARG A 41 5.814 -6.697 -3.018 1.00 0.46 H new ATOM 0 HG2 ARG A 41 6.919 -8.243 -4.195 1.00 0.58 H new ATOM 0 HG3 ARG A 41 7.300 -9.124 -2.729 1.00 0.58 H new ATOM 0 HD2 ARG A 41 5.997 -10.784 -3.523 1.00 0.88 H new ATOM 0 HD3 ARG A 41 4.622 -9.765 -3.143 1.00 0.88 H new ATOM 0 HE ARG A 41 5.458 -8.901 -5.667 1.00 0.95 H new ATOM 0 HH11 ARG A 41 4.432 -11.938 -4.191 1.00 1.44 H new ATOM 0 HH12 ARG A 41 3.745 -12.571 -5.690 1.00 1.44 H new ATOM 0 HH21 ARG A 41 4.572 -9.719 -7.592 1.00 1.44 H new ATOM 0 HH22 ARG A 41 3.824 -11.319 -7.608 1.00 1.44 H new ATOM 687 N ASP A 42 8.483 -7.641 -0.032 1.00 0.50 N ATOM 688 CA ASP A 42 9.924 -7.484 0.086 1.00 0.57 C ATOM 689 C ASP A 42 10.639 -8.271 -1.001 1.00 0.62 C ATOM 690 O ASP A 42 11.029 -9.421 -0.797 1.00 0.91 O ATOM 691 CB ASP A 42 10.395 -7.951 1.461 1.00 0.71 C ATOM 692 CG ASP A 42 9.262 -8.497 2.307 1.00 0.93 C ATOM 693 OD1 ASP A 42 8.091 -8.349 1.898 1.00 1.49 O ATOM 694 OD2 ASP A 42 9.545 -9.074 3.378 1.00 1.59 O ATOM 0 H ASP A 42 8.042 -8.087 0.772 1.00 0.50 H new ATOM 0 HA ASP A 42 10.165 -6.428 -0.033 1.00 0.57 H new ATOM 0 HB2 ASP A 42 11.157 -8.721 1.339 1.00 0.71 H new ATOM 0 HB3 ASP A 42 10.865 -7.118 1.983 1.00 0.71 H new ATOM 699 N LEU A 43 10.803 -7.646 -2.157 1.00 0.63 N ATOM 700 CA LEU A 43 11.468 -8.285 -3.284 1.00 0.68 C ATOM 701 C LEU A 43 12.945 -8.533 -2.981 1.00 0.81 C ATOM 702 O LEU A 43 13.566 -7.777 -2.234 1.00 0.90 O ATOM 703 CB LEU A 43 11.316 -7.423 -4.541 1.00 0.62 C ATOM 704 CG LEU A 43 9.868 -7.096 -4.909 1.00 0.64 C ATOM 705 CD1 LEU A 43 9.798 -6.186 -6.127 1.00 0.80 C ATOM 706 CD2 LEU A 43 9.089 -8.376 -5.156 1.00 0.70 C ATOM 0 H LEU A 43 10.484 -6.695 -2.340 1.00 0.63 H new ATOM 0 HA LEU A 43 10.995 -9.251 -3.459 1.00 0.68 H new ATOM 0 HB2 LEU A 43 11.861 -6.490 -4.396 1.00 0.62 H new ATOM 0 HB3 LEU A 43 11.784 -7.939 -5.380 1.00 0.62 H new ATOM 0 HG LEU A 43 9.418 -6.564 -4.071 1.00 0.64 H new ATOM 0 HD11 LEU A 43 8.755 -5.973 -6.362 1.00 0.80 H new ATOM 0 HD12 LEU A 43 10.320 -5.253 -5.915 1.00 0.80 H new ATOM 0 HD13 LEU A 43 10.268 -6.680 -6.977 1.00 0.80 H new ATOM 0 HD21 LEU A 43 8.060 -8.131 -5.417 1.00 0.70 H new ATOM 0 HD22 LEU A 43 9.549 -8.930 -5.975 1.00 0.70 H new ATOM 0 HD23 LEU A 43 9.099 -8.988 -4.254 1.00 0.70 H new ATOM 718 N PRO A 44 13.530 -9.605 -3.554 1.00 0.92 N ATOM 719 CA PRO A 44 12.838 -10.530 -4.446 1.00 0.99 C ATOM 720 C PRO A 44 12.258 -11.737 -3.710 1.00 1.15 C ATOM 721 O PRO A 44 12.105 -12.811 -4.291 1.00 1.43 O ATOM 722 CB PRO A 44 13.964 -10.964 -5.375 1.00 1.15 C ATOM 723 CG PRO A 44 15.179 -10.987 -4.502 1.00 1.25 C ATOM 724 CD PRO A 44 14.938 -10.000 -3.379 1.00 1.08 C ATOM 0 HA PRO A 44 11.980 -10.076 -4.943 1.00 0.99 H new ATOM 0 HB2 PRO A 44 13.767 -11.945 -5.807 1.00 1.15 H new ATOM 0 HB3 PRO A 44 14.084 -10.268 -6.205 1.00 1.15 H new ATOM 0 HG2 PRO A 44 15.350 -11.988 -4.105 1.00 1.25 H new ATOM 0 HG3 PRO A 44 16.068 -10.714 -5.071 1.00 1.25 H new ATOM 0 HD2 PRO A 44 15.107 -10.455 -2.403 1.00 1.08 H new ATOM 0 HD3 PRO A 44 15.606 -9.142 -3.451 1.00 1.08 H new ATOM 732 N ASN A 45 11.940 -11.556 -2.430 1.00 1.14 N ATOM 733 CA ASN A 45 11.382 -12.640 -1.627 1.00 1.33 C ATOM 734 C ASN A 45 10.214 -12.155 -0.773 1.00 1.43 C ATOM 735 O ASN A 45 10.124 -12.479 0.411 1.00 2.42 O ATOM 736 CB ASN A 45 12.461 -13.244 -0.725 1.00 1.66 C ATOM 737 CG ASN A 45 13.599 -13.859 -1.514 1.00 1.93 C ATOM 738 OD1 ASN A 45 14.612 -13.056 -1.811 1.00 2.66 O flip ATOM 739 ND2 ASN A 45 13.567 -15.042 -1.853 1.00 1.89 N flip ATOM 0 H ASN A 45 12.058 -10.675 -1.930 1.00 1.14 H new ATOM 0 HA ASN A 45 11.013 -13.403 -2.313 1.00 1.33 H new ATOM 0 HB2 ASN A 45 12.856 -12.469 -0.068 1.00 1.66 H new ATOM 0 HB3 ASN A 45 12.012 -14.005 -0.087 1.00 1.66 H new ATOM 0 HD21 ASN A 45 12.767 -15.623 -1.602 1.00 1.89 H new ATOM 0 HD22 ASN A 45 14.341 -15.441 -2.385 1.00 1.89 H new ATOM 746 N GLY A 46 9.318 -11.381 -1.377 1.00 0.90 N ATOM 747 CA GLY A 46 8.171 -10.876 -0.647 1.00 1.12 C ATOM 748 C GLY A 46 7.003 -11.842 -0.669 1.00 0.76 C ATOM 749 O GLY A 46 7.088 -12.911 -1.274 1.00 0.96 O ATOM 0 H GLY A 46 9.366 -11.096 -2.355 1.00 0.90 H new ATOM 0 HA2 GLY A 46 8.458 -10.680 0.386 1.00 1.12 H new ATOM 0 HA3 GLY A 46 7.860 -9.924 -1.077 1.00 1.12 H new ATOM 753 N ARG A 47 5.910 -11.474 -0.007 1.00 0.80 N ATOM 754 CA ARG A 47 4.725 -12.329 0.045 1.00 0.76 C ATOM 755 C ARG A 47 3.479 -11.515 0.385 1.00 0.85 C ATOM 756 O ARG A 47 2.551 -12.016 1.020 1.00 1.71 O ATOM 757 CB ARG A 47 4.898 -13.464 1.073 1.00 0.99 C ATOM 758 CG ARG A 47 6.251 -13.491 1.778 1.00 1.31 C ATOM 759 CD ARG A 47 6.479 -12.231 2.600 1.00 1.11 C ATOM 760 NE ARG A 47 6.907 -12.535 3.962 1.00 1.41 N ATOM 761 CZ ARG A 47 8.141 -12.912 4.279 1.00 1.71 C ATOM 762 NH1 ARG A 47 9.063 -13.031 3.334 1.00 2.41 N ATOM 763 NH2 ARG A 47 8.456 -13.170 5.543 1.00 2.03 N ATOM 0 H ARG A 47 5.819 -10.593 0.500 1.00 0.80 H new ATOM 0 HA ARG A 47 4.602 -12.771 -0.944 1.00 0.76 H new ATOM 0 HB2 ARG A 47 4.114 -13.376 1.825 1.00 0.99 H new ATOM 0 HB3 ARG A 47 4.749 -14.418 0.568 1.00 0.99 H new ATOM 0 HG2 ARG A 47 6.306 -14.365 2.427 1.00 1.31 H new ATOM 0 HG3 ARG A 47 7.045 -13.593 1.039 1.00 1.31 H new ATOM 0 HD2 ARG A 47 7.233 -11.612 2.113 1.00 1.11 H new ATOM 0 HD3 ARG A 47 5.559 -11.647 2.631 1.00 1.11 H new ATOM 0 HE ARG A 47 6.221 -12.453 4.712 1.00 1.41 H new ATOM 0 HH11 ARG A 47 8.826 -12.833 2.362 1.00 2.41 H new ATOM 0 HH12 ARG A 47 10.010 -13.320 3.579 1.00 2.41 H new ATOM 0 HH21 ARG A 47 7.750 -13.079 6.273 1.00 2.03 H new ATOM 0 HH22 ARG A 47 9.404 -13.459 5.783 1.00 2.03 H new ATOM 777 N TRP A 48 3.467 -10.255 -0.041 1.00 0.50 N ATOM 778 CA TRP A 48 2.341 -9.363 0.213 1.00 0.43 C ATOM 779 C TRP A 48 1.873 -9.463 1.660 1.00 0.45 C ATOM 780 O TRP A 48 0.838 -10.063 1.947 1.00 0.65 O ATOM 781 CB TRP A 48 1.189 -9.689 -0.723 1.00 0.47 C ATOM 782 CG TRP A 48 1.575 -9.624 -2.163 1.00 0.45 C ATOM 783 CD1 TRP A 48 1.501 -10.631 -3.076 1.00 0.52 C ATOM 784 CD2 TRP A 48 2.108 -8.491 -2.854 1.00 0.39 C ATOM 785 NE1 TRP A 48 1.952 -10.193 -4.295 1.00 0.50 N ATOM 786 CE2 TRP A 48 2.330 -8.884 -4.186 1.00 0.42 C ATOM 787 CE3 TRP A 48 2.416 -7.182 -2.477 1.00 0.36 C ATOM 788 CZ2 TRP A 48 2.846 -8.018 -5.142 1.00 0.41 C ATOM 789 CZ3 TRP A 48 2.929 -6.321 -3.429 1.00 0.36 C ATOM 790 CH2 TRP A 48 3.140 -6.743 -4.749 1.00 0.38 C ATOM 0 H TRP A 48 4.229 -9.827 -0.567 1.00 0.50 H new ATOM 0 HA TRP A 48 2.677 -8.342 0.031 1.00 0.43 H new ATOM 0 HB2 TRP A 48 0.815 -10.688 -0.497 1.00 0.47 H new ATOM 0 HB3 TRP A 48 0.370 -8.993 -0.540 1.00 0.47 H new ATOM 0 HD1 TRP A 48 1.140 -11.628 -2.871 1.00 0.52 H new ATOM 0 HE1 TRP A 48 1.998 -10.754 -5.146 1.00 0.50 H new ATOM 0 HE3 TRP A 48 2.257 -6.849 -1.462 1.00 0.36 H new ATOM 0 HZ2 TRP A 48 3.009 -8.341 -6.160 1.00 0.41 H new ATOM 0 HZ3 TRP A 48 3.171 -5.306 -3.151 1.00 0.36 H new ATOM 0 HH2 TRP A 48 3.543 -6.047 -5.469 1.00 0.38 H new ATOM 801 N LEU A 49 2.642 -8.876 2.566 1.00 0.38 N ATOM 802 CA LEU A 49 2.303 -8.907 3.983 1.00 0.42 C ATOM 803 C LEU A 49 1.862 -7.531 4.470 1.00 0.36 C ATOM 804 O LEU A 49 2.509 -6.524 4.187 1.00 0.39 O ATOM 805 CB LEU A 49 3.497 -9.402 4.801 1.00 0.52 C ATOM 806 CG LEU A 49 3.287 -10.751 5.493 1.00 0.67 C ATOM 807 CD1 LEU A 49 2.961 -11.828 4.469 1.00 0.84 C ATOM 808 CD2 LEU A 49 4.518 -11.136 6.301 1.00 1.28 C ATOM 0 H LEU A 49 3.502 -8.374 2.347 1.00 0.38 H new ATOM 0 HA LEU A 49 1.470 -9.597 4.119 1.00 0.42 H new ATOM 0 HB2 LEU A 49 4.363 -9.478 4.144 1.00 0.52 H new ATOM 0 HB3 LEU A 49 3.736 -8.655 5.558 1.00 0.52 H new ATOM 0 HG LEU A 49 2.444 -10.659 6.178 1.00 0.67 H new ATOM 0 HD11 LEU A 49 2.815 -12.781 4.977 1.00 0.84 H new ATOM 0 HD12 LEU A 49 2.050 -11.558 3.935 1.00 0.84 H new ATOM 0 HD13 LEU A 49 3.784 -11.918 3.760 1.00 0.84 H new ATOM 0 HD21 LEU A 49 4.349 -12.098 6.785 1.00 1.28 H new ATOM 0 HD22 LEU A 49 5.380 -11.210 5.638 1.00 1.28 H new ATOM 0 HD23 LEU A 49 4.708 -10.376 7.059 1.00 1.28 H new ATOM 820 N LYS A 50 0.753 -7.499 5.205 1.00 0.40 N ATOM 821 CA LYS A 50 0.222 -6.246 5.732 1.00 0.40 C ATOM 822 C LYS A 50 1.312 -5.454 6.446 1.00 0.47 C ATOM 823 O LYS A 50 1.628 -5.719 7.605 1.00 0.85 O ATOM 824 CB LYS A 50 -0.942 -6.504 6.697 1.00 0.59 C ATOM 825 CG LYS A 50 -1.853 -7.651 6.283 1.00 0.72 C ATOM 826 CD LYS A 50 -3.302 -7.386 6.665 1.00 1.03 C ATOM 827 CE LYS A 50 -3.437 -7.000 8.132 1.00 0.86 C ATOM 828 NZ LYS A 50 -2.779 -7.984 9.034 1.00 1.30 N ATOM 0 H LYS A 50 0.206 -8.325 5.448 1.00 0.40 H new ATOM 0 HA LYS A 50 -0.145 -5.664 4.887 1.00 0.40 H new ATOM 0 HB2 LYS A 50 -0.538 -6.715 7.687 1.00 0.59 H new ATOM 0 HB3 LYS A 50 -1.537 -5.595 6.782 1.00 0.59 H new ATOM 0 HG2 LYS A 50 -1.782 -7.801 5.206 1.00 0.72 H new ATOM 0 HG3 LYS A 50 -1.515 -8.573 6.756 1.00 0.72 H new ATOM 0 HD2 LYS A 50 -3.703 -6.588 6.040 1.00 1.03 H new ATOM 0 HD3 LYS A 50 -3.899 -8.276 6.467 1.00 1.03 H new ATOM 0 HE2 LYS A 50 -2.997 -6.015 8.289 1.00 0.86 H new ATOM 0 HE3 LYS A 50 -4.493 -6.922 8.390 1.00 0.86 H new ATOM 0 HZ1 LYS A 50 -3.037 -7.778 10.020 1.00 1.30 H new ATOM 0 HZ2 LYS A 50 -3.093 -8.945 8.788 1.00 1.30 H new ATOM 0 HZ3 LYS A 50 -1.747 -7.918 8.925 1.00 1.30 H new ATOM 842 N ALA A 51 1.885 -4.480 5.746 1.00 0.45 N ATOM 843 CA ALA A 51 2.939 -3.653 6.318 1.00 0.63 C ATOM 844 C ALA A 51 2.406 -2.827 7.482 1.00 0.55 C ATOM 845 O ALA A 51 2.951 -2.861 8.584 1.00 0.72 O ATOM 846 CB ALA A 51 3.535 -2.747 5.252 1.00 0.86 C ATOM 0 H ALA A 51 1.637 -4.245 4.785 1.00 0.45 H new ATOM 0 HA ALA A 51 3.723 -4.309 6.697 1.00 0.63 H new ATOM 0 HB1 ALA A 51 4.321 -2.135 5.693 1.00 0.86 H new ATOM 0 HB2 ALA A 51 3.955 -3.355 4.451 1.00 0.86 H new ATOM 0 HB3 ALA A 51 2.756 -2.101 4.847 1.00 0.86 H new ATOM 852 N ASN A 52 1.332 -2.087 7.227 1.00 0.42 N ATOM 853 CA ASN A 52 0.719 -1.253 8.252 1.00 0.43 C ATOM 854 C ASN A 52 0.016 -2.110 9.302 1.00 0.59 C ATOM 855 O ASN A 52 -0.783 -2.984 8.967 1.00 1.60 O ATOM 856 CB ASN A 52 -0.278 -0.283 7.617 1.00 0.38 C ATOM 857 CG ASN A 52 -1.518 -0.979 7.093 1.00 0.96 C ATOM 858 OD1 ASN A 52 -1.573 -1.384 5.931 1.00 2.01 O ATOM 859 ND2 ASN A 52 -2.524 -1.121 7.949 1.00 0.62 N ATOM 0 H ASN A 52 0.869 -2.048 6.319 1.00 0.42 H new ATOM 0 HA ASN A 52 1.508 -0.683 8.744 1.00 0.43 H new ATOM 0 HB2 ASN A 52 -0.570 0.465 8.354 1.00 0.38 H new ATOM 0 HB3 ASN A 52 0.209 0.248 6.799 1.00 0.38 H new ATOM 0 HD21 ASN A 52 -3.385 -1.581 7.652 1.00 0.62 H new ATOM 0 HD22 ASN A 52 -2.435 -0.770 8.903 1.00 0.62 H new ATOM 866 N PHE A 53 0.318 -1.854 10.573 1.00 0.81 N ATOM 867 CA PHE A 53 -0.290 -2.606 11.665 1.00 0.82 C ATOM 868 C PHE A 53 -0.971 -1.673 12.661 1.00 0.84 C ATOM 869 O PHE A 53 -0.974 -1.931 13.865 1.00 1.20 O ATOM 870 CB PHE A 53 0.760 -3.453 12.385 1.00 0.96 C ATOM 871 CG PHE A 53 1.186 -4.666 11.609 1.00 1.15 C ATOM 872 CD1 PHE A 53 0.258 -5.408 10.897 1.00 1.32 C ATOM 873 CD2 PHE A 53 2.513 -5.064 11.592 1.00 1.68 C ATOM 874 CE1 PHE A 53 0.646 -6.524 10.182 1.00 1.66 C ATOM 875 CE2 PHE A 53 2.906 -6.177 10.881 1.00 2.08 C ATOM 876 CZ PHE A 53 1.974 -6.910 10.174 1.00 1.96 C ATOM 0 H PHE A 53 0.977 -1.135 10.870 1.00 0.81 H new ATOM 0 HA PHE A 53 -1.044 -3.264 11.234 1.00 0.82 H new ATOM 0 HB2 PHE A 53 1.635 -2.836 12.589 1.00 0.96 H new ATOM 0 HB3 PHE A 53 0.361 -3.770 13.349 1.00 0.96 H new ATOM 0 HD1 PHE A 53 -0.780 -5.111 10.901 1.00 1.32 H new ATOM 0 HD2 PHE A 53 3.248 -4.495 12.142 1.00 1.68 H new ATOM 0 HE1 PHE A 53 -0.086 -7.094 9.630 1.00 1.66 H new ATOM 0 HE2 PHE A 53 3.944 -6.476 10.877 1.00 2.08 H new ATOM 0 HZ PHE A 53 2.281 -7.782 9.616 1.00 1.96 H new ATOM 886 N SER A 54 -1.546 -0.589 12.153 1.00 0.79 N ATOM 887 CA SER A 54 -2.231 0.379 13.002 1.00 0.89 C ATOM 888 C SER A 54 -3.618 0.700 12.453 1.00 0.95 C ATOM 889 O SER A 54 -4.613 0.103 12.869 1.00 1.89 O ATOM 890 CB SER A 54 -1.404 1.662 13.120 1.00 1.00 C ATOM 891 OG SER A 54 -0.263 1.461 13.937 1.00 1.71 O ATOM 0 H SER A 54 -1.552 -0.358 11.159 1.00 0.79 H new ATOM 0 HA SER A 54 -2.346 -0.061 13.992 1.00 0.89 H new ATOM 0 HB2 SER A 54 -1.092 1.989 12.128 1.00 1.00 H new ATOM 0 HB3 SER A 54 -2.020 2.458 13.539 1.00 1.00 H new ATOM 0 HG SER A 54 0.249 2.295 13.995 1.00 1.71 H new ATOM 897 N ASN A 55 -3.682 1.645 11.519 1.00 0.75 N ATOM 898 CA ASN A 55 -4.951 2.039 10.920 1.00 0.69 C ATOM 899 C ASN A 55 -4.742 3.109 9.853 1.00 0.66 C ATOM 900 O ASN A 55 -4.261 4.204 10.141 1.00 1.05 O ATOM 901 CB ASN A 55 -5.909 2.557 11.994 1.00 0.84 C ATOM 902 CG ASN A 55 -7.296 1.961 11.866 1.00 1.11 C ATOM 903 OD1 ASN A 55 -7.853 1.443 12.834 1.00 1.87 O ATOM 904 ND2 ASN A 55 -7.861 2.030 10.667 1.00 0.83 N ATOM 0 H ASN A 55 -2.871 2.150 11.162 1.00 0.75 H new ATOM 0 HA ASN A 55 -5.387 1.159 10.447 1.00 0.69 H new ATOM 0 HB2 ASN A 55 -5.506 2.324 12.980 1.00 0.84 H new ATOM 0 HB3 ASN A 55 -5.975 3.643 11.925 1.00 0.84 H new ATOM 0 HD21 ASN A 55 -8.794 1.645 10.520 1.00 0.83 H new ATOM 0 HD22 ASN A 55 -7.362 2.469 9.893 1.00 0.83 H new ATOM 911 N ILE A 56 -5.109 2.782 8.618 1.00 0.40 N ATOM 912 CA ILE A 56 -4.964 3.713 7.506 1.00 0.33 C ATOM 913 C ILE A 56 -6.324 4.224 7.041 1.00 0.31 C ATOM 914 O ILE A 56 -6.826 3.820 5.992 1.00 0.53 O ATOM 915 CB ILE A 56 -4.232 3.056 6.319 1.00 0.32 C ATOM 916 CG1 ILE A 56 -2.945 2.382 6.807 1.00 0.43 C ATOM 917 CG2 ILE A 56 -3.933 4.095 5.246 1.00 0.28 C ATOM 918 CD1 ILE A 56 -2.076 1.830 5.696 1.00 0.69 C ATOM 0 H ILE A 56 -5.509 1.879 8.363 1.00 0.40 H new ATOM 0 HA ILE A 56 -4.370 4.553 7.865 1.00 0.33 H new ATOM 0 HB ILE A 56 -4.874 2.292 5.880 1.00 0.32 H new ATOM 0 HG12 ILE A 56 -2.365 3.104 7.382 1.00 0.43 H new ATOM 0 HG13 ILE A 56 -3.207 1.570 7.486 1.00 0.43 H new ATOM 0 HG21 ILE A 56 -3.416 3.619 4.413 1.00 0.28 H new ATOM 0 HG22 ILE A 56 -4.867 4.531 4.892 1.00 0.28 H new ATOM 0 HG23 ILE A 56 -3.302 4.879 5.665 1.00 0.28 H new ATOM 0 HD11 ILE A 56 -1.186 1.370 6.125 1.00 0.69 H new ATOM 0 HD12 ILE A 56 -2.636 1.083 5.134 1.00 0.69 H new ATOM 0 HD13 ILE A 56 -1.780 2.640 5.029 1.00 0.69 H new ATOM 930 N LEU A 57 -6.915 5.116 7.831 1.00 0.44 N ATOM 931 CA LEU A 57 -8.218 5.684 7.504 1.00 0.45 C ATOM 932 C LEU A 57 -8.195 6.351 6.132 1.00 0.42 C ATOM 933 O LEU A 57 -8.864 5.902 5.201 1.00 0.60 O ATOM 934 CB LEU A 57 -8.637 6.696 8.573 1.00 0.48 C ATOM 935 CG LEU A 57 -9.945 6.366 9.298 1.00 0.85 C ATOM 936 CD1 LEU A 57 -11.013 5.931 8.306 1.00 0.72 C ATOM 937 CD2 LEU A 57 -9.712 5.289 10.346 1.00 1.60 C ATOM 0 H LEU A 57 -6.512 5.461 8.702 1.00 0.44 H new ATOM 0 HA LEU A 57 -8.945 4.872 7.477 1.00 0.45 H new ATOM 0 HB2 LEU A 57 -7.839 6.773 9.312 1.00 0.48 H new ATOM 0 HB3 LEU A 57 -8.735 7.676 8.106 1.00 0.48 H new ATOM 0 HG LEU A 57 -10.298 7.266 9.802 1.00 0.85 H new ATOM 0 HD11 LEU A 57 -11.934 5.701 8.841 1.00 0.72 H new ATOM 0 HD12 LEU A 57 -11.198 6.736 7.594 1.00 0.72 H new ATOM 0 HD13 LEU A 57 -10.673 5.044 7.771 1.00 0.72 H new ATOM 0 HD21 LEU A 57 -10.651 5.065 10.853 1.00 1.60 H new ATOM 0 HD22 LEU A 57 -9.336 4.387 9.863 1.00 1.60 H new ATOM 0 HD23 LEU A 57 -8.982 5.642 11.074 1.00 1.60 H new ATOM 949 N GLU A 58 -7.419 7.424 6.013 1.00 0.39 N ATOM 950 CA GLU A 58 -7.309 8.149 4.755 1.00 0.43 C ATOM 951 C GLU A 58 -6.471 7.362 3.756 1.00 0.51 C ATOM 952 O GLU A 58 -6.014 6.258 4.049 1.00 1.09 O ATOM 953 CB GLU A 58 -6.687 9.527 4.988 1.00 0.44 C ATOM 954 CG GLU A 58 -5.454 9.498 5.877 1.00 0.44 C ATOM 955 CD GLU A 58 -5.741 9.959 7.292 1.00 0.75 C ATOM 956 OE1 GLU A 58 -6.822 10.541 7.519 1.00 1.54 O ATOM 957 OE2 GLU A 58 -4.885 9.737 8.174 1.00 1.29 O ATOM 0 H GLU A 58 -6.858 7.809 6.773 1.00 0.39 H new ATOM 0 HA GLU A 58 -8.311 8.278 4.345 1.00 0.43 H new ATOM 0 HB2 GLU A 58 -6.420 9.963 4.025 1.00 0.44 H new ATOM 0 HB3 GLU A 58 -7.433 10.181 5.438 1.00 0.44 H new ATOM 0 HG2 GLU A 58 -5.054 8.484 5.904 1.00 0.44 H new ATOM 0 HG3 GLU A 58 -4.683 10.133 5.442 1.00 0.44 H new ATOM 964 N ASN A 59 -6.272 7.937 2.577 1.00 0.31 N ATOM 965 CA ASN A 59 -5.486 7.282 1.541 1.00 0.28 C ATOM 966 C ASN A 59 -4.014 7.697 1.601 1.00 0.28 C ATOM 967 O ASN A 59 -3.213 7.275 0.768 1.00 0.49 O ATOM 968 CB ASN A 59 -6.061 7.595 0.160 1.00 0.32 C ATOM 969 CG ASN A 59 -6.387 9.066 -0.012 1.00 0.86 C ATOM 970 OD1 ASN A 59 -6.063 9.888 0.846 1.00 1.75 O ATOM 971 ND2 ASN A 59 -7.032 9.405 -1.122 1.00 0.91 N ATOM 0 H ASN A 59 -6.642 8.851 2.316 1.00 0.31 H new ATOM 0 HA ASN A 59 -5.539 6.208 1.718 1.00 0.28 H new ATOM 0 HB2 ASN A 59 -5.346 7.292 -0.605 1.00 0.32 H new ATOM 0 HB3 ASN A 59 -6.964 7.005 0.003 1.00 0.32 H new ATOM 0 HD21 ASN A 59 -7.279 10.380 -1.291 1.00 0.91 H new ATOM 0 HD22 ASN A 59 -7.281 8.690 -1.806 1.00 0.91 H new ATOM 978 N GLU A 60 -3.657 8.518 2.589 1.00 0.29 N ATOM 979 CA GLU A 60 -2.279 8.968 2.746 1.00 0.29 C ATOM 980 C GLU A 60 -1.606 8.203 3.876 1.00 0.27 C ATOM 981 O GLU A 60 -1.832 8.489 5.051 1.00 0.35 O ATOM 982 CB GLU A 60 -2.233 10.469 3.033 1.00 0.34 C ATOM 983 CG GLU A 60 -0.903 11.114 2.677 1.00 0.49 C ATOM 984 CD GLU A 60 -0.931 12.624 2.817 1.00 1.26 C ATOM 985 OE1 GLU A 60 -1.152 13.112 3.946 1.00 2.05 O ATOM 986 OE2 GLU A 60 -0.733 13.318 1.798 1.00 1.91 O ATOM 0 H GLU A 60 -4.303 8.883 3.289 1.00 0.29 H new ATOM 0 HA GLU A 60 -1.745 8.775 1.816 1.00 0.29 H new ATOM 0 HB2 GLU A 60 -3.028 10.962 2.474 1.00 0.34 H new ATOM 0 HB3 GLU A 60 -2.437 10.635 4.091 1.00 0.34 H new ATOM 0 HG2 GLU A 60 -0.123 10.708 3.320 1.00 0.49 H new ATOM 0 HG3 GLU A 60 -0.639 10.853 1.652 1.00 0.49 H new ATOM 993 N PHE A 61 -0.788 7.220 3.517 1.00 0.24 N ATOM 994 CA PHE A 61 -0.097 6.411 4.511 1.00 0.24 C ATOM 995 C PHE A 61 1.370 6.214 4.147 1.00 0.24 C ATOM 996 O PHE A 61 1.775 6.431 3.006 1.00 0.25 O ATOM 997 CB PHE A 61 -0.783 5.047 4.650 1.00 0.28 C ATOM 998 CG PHE A 61 -0.031 4.085 5.525 1.00 0.33 C ATOM 999 CD1 PHE A 61 -0.192 4.108 6.901 1.00 0.41 C ATOM 1000 CD2 PHE A 61 0.844 3.165 4.969 1.00 0.37 C ATOM 1001 CE1 PHE A 61 0.504 3.227 7.706 1.00 0.48 C ATOM 1002 CE2 PHE A 61 1.540 2.284 5.768 1.00 0.44 C ATOM 1003 CZ PHE A 61 1.371 2.314 7.139 1.00 0.48 C ATOM 0 H PHE A 61 -0.588 6.966 2.550 1.00 0.24 H new ATOM 0 HA PHE A 61 -0.143 6.941 5.462 1.00 0.24 H new ATOM 0 HB2 PHE A 61 -1.783 5.192 5.059 1.00 0.28 H new ATOM 0 HB3 PHE A 61 -0.904 4.607 3.660 1.00 0.28 H new ATOM 0 HD1 PHE A 61 -0.868 4.821 7.349 1.00 0.41 H new ATOM 0 HD2 PHE A 61 0.982 3.138 3.898 1.00 0.37 H new ATOM 0 HE1 PHE A 61 0.370 3.252 8.777 1.00 0.48 H new ATOM 0 HE2 PHE A 61 2.217 1.570 5.323 1.00 0.44 H new ATOM 0 HZ PHE A 61 1.916 1.624 7.766 1.00 0.48 H new ATOM 1013 N THR A 62 2.156 5.785 5.131 1.00 0.25 N ATOM 1014 CA THR A 62 3.571 5.540 4.926 1.00 0.27 C ATOM 1015 C THR A 62 3.930 4.130 5.352 1.00 0.29 C ATOM 1016 O THR A 62 3.656 3.725 6.482 1.00 0.35 O ATOM 1017 CB THR A 62 4.417 6.554 5.694 1.00 0.33 C ATOM 1018 OG1 THR A 62 4.179 7.867 5.220 1.00 0.42 O ATOM 1019 CG2 THR A 62 5.904 6.290 5.594 1.00 0.37 C ATOM 0 H THR A 62 1.830 5.601 6.080 1.00 0.25 H new ATOM 0 HA THR A 62 3.783 5.652 3.863 1.00 0.27 H new ATOM 0 HB THR A 62 4.116 6.451 6.737 1.00 0.33 H new ATOM 0 HG1 THR A 62 5.008 8.236 4.850 1.00 0.42 H new ATOM 0 HG21 THR A 62 6.447 7.046 6.161 1.00 0.37 H new ATOM 0 HG22 THR A 62 6.126 5.303 5.999 1.00 0.37 H new ATOM 0 HG23 THR A 62 6.211 6.331 4.549 1.00 0.37 H new ATOM 1027 N VAL A 63 4.538 3.375 4.444 1.00 0.31 N ATOM 1028 CA VAL A 63 4.912 2.007 4.744 1.00 0.36 C ATOM 1029 C VAL A 63 6.240 1.936 5.474 1.00 0.38 C ATOM 1030 O VAL A 63 7.303 1.849 4.858 1.00 0.50 O ATOM 1031 CB VAL A 63 4.971 1.148 3.473 1.00 0.44 C ATOM 1032 CG1 VAL A 63 5.126 -0.317 3.832 1.00 1.08 C ATOM 1033 CG2 VAL A 63 3.724 1.368 2.632 1.00 0.58 C ATOM 0 H VAL A 63 4.779 3.688 3.503 1.00 0.31 H new ATOM 0 HA VAL A 63 4.137 1.608 5.398 1.00 0.36 H new ATOM 0 HB VAL A 63 5.839 1.449 2.886 1.00 0.44 H new ATOM 0 HG11 VAL A 63 5.166 -0.913 2.920 1.00 1.08 H new ATOM 0 HG12 VAL A 63 6.047 -0.457 4.398 1.00 1.08 H new ATOM 0 HG13 VAL A 63 4.276 -0.635 4.436 1.00 1.08 H new ATOM 0 HG21 VAL A 63 3.778 0.753 1.734 1.00 0.58 H new ATOM 0 HG22 VAL A 63 2.842 1.090 3.209 1.00 0.58 H new ATOM 0 HG23 VAL A 63 3.656 2.419 2.349 1.00 0.58 H new ATOM 1043 N SER A 64 6.164 1.970 6.797 1.00 0.49 N ATOM 1044 CA SER A 64 7.350 1.906 7.635 1.00 0.55 C ATOM 1045 C SER A 64 7.654 0.466 8.025 1.00 0.63 C ATOM 1046 O SER A 64 6.752 -0.306 8.352 1.00 0.99 O ATOM 1047 CB SER A 64 7.167 2.760 8.888 1.00 0.63 C ATOM 1048 OG SER A 64 5.824 2.721 9.342 1.00 1.33 O ATOM 0 H SER A 64 5.288 2.042 7.314 1.00 0.49 H new ATOM 0 HA SER A 64 8.191 2.298 7.063 1.00 0.55 H new ATOM 0 HB2 SER A 64 7.831 2.403 9.675 1.00 0.63 H new ATOM 0 HB3 SER A 64 7.452 3.790 8.674 1.00 0.63 H new ATOM 0 HG SER A 64 5.734 3.274 10.146 1.00 1.33 H new ATOM 1054 N GLY A 65 8.929 0.113 7.981 1.00 0.71 N ATOM 1055 CA GLY A 65 9.342 -1.235 8.323 1.00 0.78 C ATOM 1056 C GLY A 65 10.186 -1.877 7.235 1.00 0.72 C ATOM 1057 O GLY A 65 10.701 -2.980 7.414 1.00 0.90 O ATOM 0 H GLY A 65 9.690 0.738 7.714 1.00 0.71 H new ATOM 0 HA2 GLY A 65 9.909 -1.213 9.253 1.00 0.78 H new ATOM 0 HA3 GLY A 65 8.459 -1.848 8.503 1.00 0.78 H new ATOM 1061 N LEU A 66 10.326 -1.183 6.105 1.00 0.64 N ATOM 1062 CA LEU A 66 11.106 -1.673 4.988 1.00 0.65 C ATOM 1063 C LEU A 66 12.479 -2.161 5.434 1.00 0.59 C ATOM 1064 O LEU A 66 12.815 -2.121 6.618 1.00 0.65 O ATOM 1065 CB LEU A 66 11.258 -0.544 3.966 1.00 0.74 C ATOM 1066 CG LEU A 66 10.038 -0.259 3.076 1.00 0.89 C ATOM 1067 CD1 LEU A 66 8.738 -0.779 3.682 1.00 1.47 C ATOM 1068 CD2 LEU A 66 9.940 1.232 2.799 1.00 0.89 C ATOM 0 H LEU A 66 9.900 -0.270 5.947 1.00 0.64 H new ATOM 0 HA LEU A 66 10.588 -2.522 4.543 1.00 0.65 H new ATOM 0 HB2 LEU A 66 11.511 0.371 4.502 1.00 0.74 H new ATOM 0 HB3 LEU A 66 12.104 -0.779 3.321 1.00 0.74 H new ATOM 0 HG LEU A 66 10.183 -0.796 2.139 1.00 0.89 H new ATOM 0 HD11 LEU A 66 7.908 -0.551 3.013 1.00 1.47 H new ATOM 0 HD12 LEU A 66 8.807 -1.858 3.820 1.00 1.47 H new ATOM 0 HD13 LEU A 66 8.569 -0.300 4.646 1.00 1.47 H new ATOM 0 HD21 LEU A 66 9.073 1.429 2.168 1.00 0.89 H new ATOM 0 HD22 LEU A 66 9.833 1.771 3.740 1.00 0.89 H new ATOM 0 HD23 LEU A 66 10.843 1.568 2.290 1.00 0.89 H new ATOM 1080 N THR A 67 13.268 -2.617 4.472 1.00 0.65 N ATOM 1081 CA THR A 67 14.609 -3.113 4.740 1.00 0.69 C ATOM 1082 C THR A 67 15.559 -2.681 3.631 1.00 0.72 C ATOM 1083 O THR A 67 15.372 -3.037 2.468 1.00 1.06 O ATOM 1084 CB THR A 67 14.599 -4.637 4.865 1.00 0.75 C ATOM 1085 OG1 THR A 67 13.416 -5.079 5.506 1.00 0.96 O ATOM 1086 CG2 THR A 67 15.774 -5.183 5.648 1.00 0.99 C ATOM 0 H THR A 67 12.998 -2.653 3.489 1.00 0.65 H new ATOM 0 HA THR A 67 14.955 -2.691 5.683 1.00 0.69 H new ATOM 0 HB THR A 67 14.660 -5.010 3.843 1.00 0.75 H new ATOM 0 HG1 THR A 67 12.726 -5.257 4.833 1.00 0.96 H new ATOM 0 HG21 THR A 67 15.704 -6.270 5.698 1.00 0.99 H new ATOM 0 HG22 THR A 67 16.703 -4.901 5.153 1.00 0.99 H new ATOM 0 HG23 THR A 67 15.761 -4.772 6.657 1.00 0.99 H new ATOM 1094 N GLU A 68 16.573 -1.908 3.997 1.00 0.66 N ATOM 1095 CA GLU A 68 17.551 -1.416 3.032 1.00 0.67 C ATOM 1096 C GLU A 68 18.016 -2.527 2.090 1.00 0.60 C ATOM 1097 O GLU A 68 17.949 -3.710 2.425 1.00 0.69 O ATOM 1098 CB GLU A 68 18.750 -0.811 3.762 1.00 0.76 C ATOM 1099 CG GLU A 68 18.834 0.703 3.646 1.00 0.96 C ATOM 1100 CD GLU A 68 20.261 1.203 3.549 1.00 1.32 C ATOM 1101 OE1 GLU A 68 20.954 0.836 2.577 1.00 1.89 O ATOM 1102 OE2 GLU A 68 20.686 1.961 4.445 1.00 1.91 O ATOM 0 H GLU A 68 16.741 -1.607 4.957 1.00 0.66 H new ATOM 0 HA GLU A 68 17.069 -0.646 2.430 1.00 0.67 H new ATOM 0 HB2 GLU A 68 18.698 -1.084 4.816 1.00 0.76 H new ATOM 0 HB3 GLU A 68 19.666 -1.249 3.364 1.00 0.76 H new ATOM 0 HG2 GLU A 68 18.279 1.027 2.766 1.00 0.96 H new ATOM 0 HG3 GLU A 68 18.352 1.157 4.512 1.00 0.96 H new ATOM 1109 N ASP A 69 18.487 -2.130 0.913 1.00 0.52 N ATOM 1110 CA ASP A 69 18.964 -3.077 -0.088 1.00 0.49 C ATOM 1111 C ASP A 69 17.918 -4.147 -0.376 1.00 0.44 C ATOM 1112 O ASP A 69 18.195 -5.342 -0.270 1.00 0.54 O ATOM 1113 CB ASP A 69 20.268 -3.729 0.377 1.00 0.59 C ATOM 1114 CG ASP A 69 21.476 -2.863 0.086 1.00 1.06 C ATOM 1115 OD1 ASP A 69 21.342 -1.622 0.127 1.00 1.66 O ATOM 1116 OD2 ASP A 69 22.559 -3.426 -0.184 1.00 1.87 O ATOM 0 H ASP A 69 18.549 -1.153 0.628 1.00 0.52 H new ATOM 0 HA ASP A 69 19.150 -2.526 -1.010 1.00 0.49 H new ATOM 0 HB2 ASP A 69 20.213 -3.925 1.448 1.00 0.59 H new ATOM 0 HB3 ASP A 69 20.387 -4.693 -0.117 1.00 0.59 H new ATOM 1121 N ALA A 70 16.716 -3.713 -0.742 1.00 0.40 N ATOM 1122 CA ALA A 70 15.636 -4.641 -1.046 1.00 0.40 C ATOM 1123 C ALA A 70 14.461 -3.927 -1.699 1.00 0.35 C ATOM 1124 O ALA A 70 13.880 -3.011 -1.116 1.00 0.36 O ATOM 1125 CB ALA A 70 15.182 -5.349 0.220 1.00 0.49 C ATOM 0 H ALA A 70 16.467 -2.728 -0.835 1.00 0.40 H new ATOM 0 HA ALA A 70 16.015 -5.380 -1.752 1.00 0.40 H new ATOM 0 HB1 ALA A 70 14.374 -6.040 -0.020 1.00 0.49 H new ATOM 0 HB2 ALA A 70 16.018 -5.902 0.647 1.00 0.49 H new ATOM 0 HB3 ALA A 70 14.828 -4.613 0.941 1.00 0.49 H new ATOM 1131 N ALA A 71 14.105 -4.355 -2.906 1.00 0.33 N ATOM 1132 CA ALA A 71 12.988 -3.753 -3.620 1.00 0.30 C ATOM 1133 C ALA A 71 11.684 -4.082 -2.913 1.00 0.27 C ATOM 1134 O ALA A 71 11.488 -5.205 -2.446 1.00 0.36 O ATOM 1135 CB ALA A 71 12.961 -4.223 -5.066 1.00 0.34 C ATOM 0 H ALA A 71 14.571 -5.112 -3.406 1.00 0.33 H new ATOM 0 HA ALA A 71 13.113 -2.670 -3.626 1.00 0.30 H new ATOM 0 HB1 ALA A 71 12.119 -3.762 -5.583 1.00 0.34 H new ATOM 0 HB2 ALA A 71 13.890 -3.937 -5.559 1.00 0.34 H new ATOM 0 HB3 ALA A 71 12.854 -5.307 -5.094 1.00 0.34 H new ATOM 1141 N TYR A 72 10.800 -3.097 -2.805 1.00 0.24 N ATOM 1142 CA TYR A 72 9.536 -3.302 -2.114 1.00 0.24 C ATOM 1143 C TYR A 72 8.316 -2.869 -2.924 1.00 0.21 C ATOM 1144 O TYR A 72 8.101 -1.680 -3.158 1.00 0.23 O ATOM 1145 CB TYR A 72 9.563 -2.532 -0.802 1.00 0.30 C ATOM 1146 CG TYR A 72 10.148 -3.317 0.337 1.00 0.31 C ATOM 1147 CD1 TYR A 72 9.372 -4.201 1.072 1.00 0.49 C ATOM 1148 CD2 TYR A 72 11.481 -3.169 0.674 1.00 0.36 C ATOM 1149 CE1 TYR A 72 9.920 -4.917 2.119 1.00 0.56 C ATOM 1150 CE2 TYR A 72 12.042 -3.876 1.712 1.00 0.42 C ATOM 1151 CZ TYR A 72 11.200 -4.780 2.447 1.00 0.46 C ATOM 1152 OH TYR A 72 11.807 -5.465 3.476 1.00 0.56 O ATOM 0 H TYR A 72 10.934 -2.159 -3.183 1.00 0.24 H new ATOM 0 HA TYR A 72 9.435 -4.375 -1.949 1.00 0.24 H new ATOM 0 HB2 TYR A 72 10.140 -1.617 -0.938 1.00 0.30 H new ATOM 0 HB3 TYR A 72 8.547 -2.233 -0.544 1.00 0.30 H new ATOM 0 HD1 TYR A 72 8.329 -4.331 0.823 1.00 0.49 H new ATOM 0 HD2 TYR A 72 12.095 -2.483 0.110 1.00 0.36 H new ATOM 0 HE1 TYR A 72 9.298 -5.599 2.680 1.00 0.56 H new ATOM 0 HE2 TYR A 72 13.084 -3.755 1.967 1.00 0.42 H new ATOM 0 HH TYR A 72 12.635 -5.877 3.151 1.00 0.56 H new ATOM 1162 N GLU A 73 7.500 -3.847 -3.313 1.00 0.21 N ATOM 1163 CA GLU A 73 6.273 -3.582 -4.059 1.00 0.21 C ATOM 1164 C GLU A 73 5.098 -3.686 -3.096 1.00 0.23 C ATOM 1165 O GLU A 73 5.049 -4.615 -2.294 1.00 0.32 O ATOM 1166 CB GLU A 73 6.106 -4.584 -5.203 1.00 0.25 C ATOM 1167 CG GLU A 73 5.638 -3.955 -6.503 1.00 0.65 C ATOM 1168 CD GLU A 73 5.719 -4.912 -7.674 1.00 0.68 C ATOM 1169 OE1 GLU A 73 6.750 -5.605 -7.803 1.00 1.32 O ATOM 1170 OE2 GLU A 73 4.752 -4.970 -8.462 1.00 1.50 O ATOM 0 H GLU A 73 7.668 -4.835 -3.122 1.00 0.21 H new ATOM 0 HA GLU A 73 6.318 -2.584 -4.495 1.00 0.21 H new ATOM 0 HB2 GLU A 73 7.058 -5.087 -5.375 1.00 0.25 H new ATOM 0 HB3 GLU A 73 5.391 -5.349 -4.902 1.00 0.25 H new ATOM 0 HG2 GLU A 73 4.609 -3.614 -6.388 1.00 0.65 H new ATOM 0 HG3 GLU A 73 6.244 -3.074 -6.715 1.00 0.65 H new ATOM 1177 N PHE A 74 4.162 -2.743 -3.138 1.00 0.22 N ATOM 1178 CA PHE A 74 3.030 -2.814 -2.188 1.00 0.28 C ATOM 1179 C PHE A 74 1.672 -2.432 -2.778 1.00 0.25 C ATOM 1180 O PHE A 74 1.492 -1.342 -3.316 1.00 0.30 O ATOM 1181 CB PHE A 74 3.286 -1.943 -0.942 1.00 0.39 C ATOM 1182 CG PHE A 74 4.595 -1.212 -0.947 1.00 0.36 C ATOM 1183 CD1 PHE A 74 4.868 -0.284 -1.935 1.00 0.52 C ATOM 1184 CD2 PHE A 74 5.544 -1.452 0.029 1.00 0.42 C ATOM 1185 CE1 PHE A 74 6.066 0.394 -1.953 1.00 0.60 C ATOM 1186 CE2 PHE A 74 6.748 -0.776 0.017 1.00 0.49 C ATOM 1187 CZ PHE A 74 7.009 0.149 -0.977 1.00 0.53 C ATOM 0 H PHE A 74 4.150 -1.952 -3.782 1.00 0.22 H new ATOM 0 HA PHE A 74 2.977 -3.869 -1.919 1.00 0.28 H new ATOM 0 HB2 PHE A 74 2.479 -1.215 -0.852 1.00 0.39 H new ATOM 0 HB3 PHE A 74 3.243 -2.578 -0.057 1.00 0.39 H new ATOM 0 HD1 PHE A 74 4.133 -0.089 -2.702 1.00 0.52 H new ATOM 0 HD2 PHE A 74 5.342 -2.174 0.807 1.00 0.42 H new ATOM 0 HE1 PHE A 74 6.267 1.117 -2.730 1.00 0.60 H new ATOM 0 HE2 PHE A 74 7.485 -0.969 0.783 1.00 0.49 H new ATOM 0 HZ PHE A 74 7.950 0.679 -0.989 1.00 0.53 H new ATOM 1197 N ARG A 75 0.709 -3.340 -2.623 1.00 0.27 N ATOM 1198 CA ARG A 75 -0.662 -3.123 -3.092 1.00 0.34 C ATOM 1199 C ARG A 75 -1.548 -2.791 -1.899 1.00 0.31 C ATOM 1200 O ARG A 75 -1.142 -3.010 -0.764 1.00 0.45 O ATOM 1201 CB ARG A 75 -1.204 -4.374 -3.785 1.00 0.46 C ATOM 1202 CG ARG A 75 -0.660 -5.676 -3.217 1.00 0.94 C ATOM 1203 CD ARG A 75 -1.414 -6.875 -3.764 1.00 1.08 C ATOM 1204 NE ARG A 75 -0.626 -7.617 -4.741 1.00 0.87 N ATOM 1205 CZ ARG A 75 -1.153 -8.401 -5.678 1.00 1.39 C ATOM 1206 NH1 ARG A 75 -2.470 -8.546 -5.768 1.00 2.11 N ATOM 1207 NH2 ARG A 75 -0.364 -9.041 -6.529 1.00 1.87 N ATOM 0 H ARG A 75 0.854 -4.243 -2.171 1.00 0.27 H new ATOM 0 HA ARG A 75 -0.661 -2.300 -3.807 1.00 0.34 H new ATOM 0 HB2 ARG A 75 -2.291 -4.380 -3.705 1.00 0.46 H new ATOM 0 HB3 ARG A 75 -0.963 -4.323 -4.847 1.00 0.46 H new ATOM 0 HG2 ARG A 75 0.398 -5.767 -3.461 1.00 0.94 H new ATOM 0 HG3 ARG A 75 -0.736 -5.661 -2.130 1.00 0.94 H new ATOM 0 HD2 ARG A 75 -1.688 -7.536 -2.942 1.00 1.08 H new ATOM 0 HD3 ARG A 75 -2.342 -6.539 -4.227 1.00 1.08 H new ATOM 0 HE ARG A 75 0.390 -7.530 -4.704 1.00 0.87 H new ATOM 0 HH11 ARG A 75 -3.083 -8.055 -5.117 1.00 2.11 H new ATOM 0 HH12 ARG A 75 -2.869 -9.148 -6.488 1.00 2.11 H new ATOM 0 HH21 ARG A 75 0.648 -8.933 -6.466 1.00 1.87 H new ATOM 0 HH22 ARG A 75 -0.769 -9.642 -7.247 1.00 1.87 H new ATOM 1221 N VAL A 76 -2.756 -2.274 -2.131 1.00 0.32 N ATOM 1222 CA VAL A 76 -3.631 -1.952 -1.001 1.00 0.39 C ATOM 1223 C VAL A 76 -5.051 -2.482 -1.162 1.00 0.31 C ATOM 1224 O VAL A 76 -5.768 -2.150 -2.105 1.00 0.43 O ATOM 1225 CB VAL A 76 -3.626 -0.423 -0.618 1.00 0.60 C ATOM 1226 CG1 VAL A 76 -2.954 0.423 -1.682 1.00 0.54 C ATOM 1227 CG2 VAL A 76 -5.006 0.147 -0.290 1.00 0.47 C ATOM 0 H VAL A 76 -3.141 -2.075 -3.054 1.00 0.32 H new ATOM 0 HA VAL A 76 -3.191 -2.487 -0.159 1.00 0.39 H new ATOM 0 HB VAL A 76 -3.043 -0.374 0.302 1.00 0.60 H new ATOM 0 HG11 VAL A 76 -2.972 1.470 -1.379 1.00 0.54 H new ATOM 0 HG12 VAL A 76 -1.921 0.099 -1.806 1.00 0.54 H new ATOM 0 HG13 VAL A 76 -3.486 0.309 -2.627 1.00 0.54 H new ATOM 0 HG21 VAL A 76 -4.913 1.203 -0.037 1.00 0.47 H new ATOM 0 HG22 VAL A 76 -5.660 0.037 -1.155 1.00 0.47 H new ATOM 0 HG23 VAL A 76 -5.431 -0.392 0.557 1.00 0.47 H new ATOM 1237 N ILE A 77 -5.433 -3.289 -0.180 1.00 0.33 N ATOM 1238 CA ILE A 77 -6.743 -3.874 -0.098 1.00 0.31 C ATOM 1239 C ILE A 77 -7.495 -3.155 1.006 1.00 0.30 C ATOM 1240 O ILE A 77 -6.881 -2.711 1.976 1.00 0.42 O ATOM 1241 CB ILE A 77 -6.652 -5.369 0.245 1.00 0.40 C ATOM 1242 CG1 ILE A 77 -5.846 -6.111 -0.818 1.00 0.45 C ATOM 1243 CG2 ILE A 77 -8.038 -5.958 0.388 1.00 0.70 C ATOM 1244 CD1 ILE A 77 -5.184 -7.375 -0.315 1.00 0.42 C ATOM 0 H ILE A 77 -4.820 -3.553 0.591 1.00 0.33 H new ATOM 0 HA ILE A 77 -7.252 -3.775 -1.057 1.00 0.31 H new ATOM 0 HB ILE A 77 -6.135 -5.482 1.198 1.00 0.40 H new ATOM 0 HG12 ILE A 77 -6.505 -6.364 -1.649 1.00 0.45 H new ATOM 0 HG13 ILE A 77 -5.080 -5.443 -1.211 1.00 0.45 H new ATOM 0 HG21 ILE A 77 -7.960 -7.018 0.631 1.00 0.70 H new ATOM 0 HG22 ILE A 77 -8.572 -5.441 1.185 1.00 0.70 H new ATOM 0 HG23 ILE A 77 -8.582 -5.840 -0.549 1.00 0.70 H new ATOM 0 HD11 ILE A 77 -4.631 -7.844 -1.128 1.00 0.42 H new ATOM 0 HD12 ILE A 77 -4.498 -7.129 0.496 1.00 0.42 H new ATOM 0 HD13 ILE A 77 -5.946 -8.064 0.051 1.00 0.42 H new ATOM 1256 N ALA A 78 -8.801 -3.016 0.882 1.00 0.27 N ATOM 1257 CA ALA A 78 -9.542 -2.318 1.923 1.00 0.30 C ATOM 1258 C ALA A 78 -11.014 -2.659 1.919 1.00 0.34 C ATOM 1259 O ALA A 78 -11.745 -2.295 1.004 1.00 0.60 O ATOM 1260 CB ALA A 78 -9.360 -0.817 1.771 1.00 0.39 C ATOM 0 H ALA A 78 -9.358 -3.362 0.101 1.00 0.27 H new ATOM 0 HA ALA A 78 -9.138 -2.649 2.880 1.00 0.30 H new ATOM 0 HB1 ALA A 78 -9.917 -0.302 2.553 1.00 0.39 H new ATOM 0 HB2 ALA A 78 -8.302 -0.568 1.855 1.00 0.39 H new ATOM 0 HB3 ALA A 78 -9.730 -0.503 0.795 1.00 0.39 H new ATOM 1266 N LYS A 79 -11.465 -3.337 2.963 1.00 0.38 N ATOM 1267 CA LYS A 79 -12.869 -3.683 3.060 1.00 0.43 C ATOM 1268 C LYS A 79 -13.705 -2.419 2.969 1.00 0.59 C ATOM 1269 O LYS A 79 -13.173 -1.329 2.756 1.00 1.31 O ATOM 1270 CB LYS A 79 -13.178 -4.405 4.369 1.00 0.56 C ATOM 1271 CG LYS A 79 -12.674 -5.835 4.443 1.00 1.07 C ATOM 1272 CD LYS A 79 -13.615 -6.696 5.273 1.00 1.50 C ATOM 1273 CE LYS A 79 -13.678 -8.123 4.752 1.00 1.71 C ATOM 1274 NZ LYS A 79 -12.997 -9.078 5.671 1.00 1.98 N ATOM 0 H LYS A 79 -10.888 -3.653 3.742 1.00 0.38 H new ATOM 0 HA LYS A 79 -13.112 -4.356 2.238 1.00 0.43 H new ATOM 0 HB2 LYS A 79 -12.742 -3.838 5.192 1.00 0.56 H new ATOM 0 HB3 LYS A 79 -14.257 -4.407 4.520 1.00 0.56 H new ATOM 0 HG2 LYS A 79 -12.587 -6.248 3.438 1.00 1.07 H new ATOM 0 HG3 LYS A 79 -11.676 -5.852 4.881 1.00 1.07 H new ATOM 0 HD2 LYS A 79 -13.283 -6.702 6.311 1.00 1.50 H new ATOM 0 HD3 LYS A 79 -14.614 -6.260 5.261 1.00 1.50 H new ATOM 0 HE2 LYS A 79 -14.720 -8.419 4.627 1.00 1.71 H new ATOM 0 HE3 LYS A 79 -13.213 -8.171 3.767 1.00 1.71 H new ATOM 0 HZ1 LYS A 79 -13.061 -10.040 5.282 1.00 1.98 H new ATOM 0 HZ2 LYS A 79 -11.997 -8.811 5.770 1.00 1.98 H new ATOM 0 HZ3 LYS A 79 -13.457 -9.050 6.603 1.00 1.98 H new ATOM 1288 N ASN A 80 -15.005 -2.560 3.126 1.00 0.65 N ATOM 1289 CA ASN A 80 -15.889 -1.417 3.057 1.00 0.70 C ATOM 1290 C ASN A 80 -16.879 -1.436 4.214 1.00 0.87 C ATOM 1291 O ASN A 80 -16.966 -2.416 4.951 1.00 1.55 O ATOM 1292 CB ASN A 80 -16.620 -1.413 1.720 1.00 0.67 C ATOM 1293 CG ASN A 80 -15.659 -1.312 0.551 1.00 1.39 C ATOM 1294 OD1 ASN A 80 -14.722 -2.101 0.437 1.00 2.19 O ATOM 1295 ND2 ASN A 80 -15.881 -0.333 -0.316 1.00 2.05 N ATOM 0 H ASN A 80 -15.470 -3.451 3.301 1.00 0.65 H new ATOM 0 HA ASN A 80 -15.298 -0.505 3.137 1.00 0.70 H new ATOM 0 HB2 ASN A 80 -17.211 -2.324 1.627 1.00 0.67 H new ATOM 0 HB3 ASN A 80 -17.318 -0.576 1.690 1.00 0.67 H new ATOM 0 HD21 ASN A 80 -15.262 -0.211 -1.117 1.00 2.05 H new ATOM 0 HD22 ASN A 80 -16.671 0.298 -0.181 1.00 2.05 H new ATOM 1302 N ALA A 81 -17.619 -0.349 4.374 1.00 0.76 N ATOM 1303 CA ALA A 81 -18.607 -0.231 5.444 1.00 0.82 C ATOM 1304 C ALA A 81 -19.405 -1.524 5.654 1.00 0.88 C ATOM 1305 O ALA A 81 -19.887 -1.784 6.757 1.00 1.08 O ATOM 1306 CB ALA A 81 -19.557 0.920 5.152 1.00 0.83 C ATOM 0 H ALA A 81 -17.555 0.472 3.772 1.00 0.76 H new ATOM 0 HA ALA A 81 -18.058 -0.036 6.365 1.00 0.82 H new ATOM 0 HB1 ALA A 81 -20.290 1.000 5.955 1.00 0.83 H new ATOM 0 HB2 ALA A 81 -18.992 1.850 5.083 1.00 0.83 H new ATOM 0 HB3 ALA A 81 -20.071 0.737 4.209 1.00 0.83 H new ATOM 1312 N ALA A 82 -19.557 -2.324 4.598 1.00 0.81 N ATOM 1313 CA ALA A 82 -20.319 -3.570 4.694 1.00 0.90 C ATOM 1314 C ALA A 82 -19.427 -4.815 4.684 1.00 0.88 C ATOM 1315 O ALA A 82 -19.918 -5.928 4.492 1.00 1.06 O ATOM 1316 CB ALA A 82 -21.333 -3.645 3.563 1.00 0.94 C ATOM 0 H ALA A 82 -19.167 -2.135 3.675 1.00 0.81 H new ATOM 0 HA ALA A 82 -20.833 -3.557 5.655 1.00 0.90 H new ATOM 0 HB1 ALA A 82 -21.897 -4.575 3.641 1.00 0.94 H new ATOM 0 HB2 ALA A 82 -22.017 -2.799 3.631 1.00 0.94 H new ATOM 0 HB3 ALA A 82 -20.813 -3.615 2.606 1.00 0.94 H new ATOM 1322 N GLY A 83 -18.126 -4.637 4.894 1.00 0.82 N ATOM 1323 CA GLY A 83 -17.220 -5.772 4.906 1.00 0.86 C ATOM 1324 C GLY A 83 -16.669 -6.103 3.533 1.00 0.78 C ATOM 1325 O GLY A 83 -15.660 -6.798 3.416 1.00 0.93 O ATOM 0 H GLY A 83 -17.684 -3.732 5.055 1.00 0.82 H new ATOM 0 HA2 GLY A 83 -16.392 -5.562 5.583 1.00 0.86 H new ATOM 0 HA3 GLY A 83 -17.742 -6.643 5.302 1.00 0.86 H new ATOM 1329 N ALA A 84 -17.325 -5.608 2.488 1.00 0.72 N ATOM 1330 CA ALA A 84 -16.881 -5.864 1.119 1.00 0.78 C ATOM 1331 C ALA A 84 -15.376 -5.643 0.984 1.00 0.76 C ATOM 1332 O ALA A 84 -14.904 -4.506 0.979 1.00 1.38 O ATOM 1333 CB ALA A 84 -17.636 -4.975 0.144 1.00 0.92 C ATOM 0 H ALA A 84 -18.162 -5.030 2.560 1.00 0.72 H new ATOM 0 HA ALA A 84 -17.094 -6.906 0.881 1.00 0.78 H new ATOM 0 HB1 ALA A 84 -17.295 -5.177 -0.871 1.00 0.92 H new ATOM 0 HB2 ALA A 84 -18.704 -5.181 0.216 1.00 0.92 H new ATOM 0 HB3 ALA A 84 -17.451 -3.929 0.388 1.00 0.92 H new ATOM 1339 N ILE A 85 -14.628 -6.736 0.883 1.00 0.50 N ATOM 1340 CA ILE A 85 -13.179 -6.656 0.761 1.00 0.40 C ATOM 1341 C ILE A 85 -12.760 -6.075 -0.581 1.00 0.38 C ATOM 1342 O ILE A 85 -12.702 -6.781 -1.586 1.00 0.48 O ATOM 1343 CB ILE A 85 -12.512 -8.034 0.947 1.00 0.48 C ATOM 1344 CG1 ILE A 85 -10.987 -7.889 0.959 1.00 0.54 C ATOM 1345 CG2 ILE A 85 -12.951 -8.997 -0.147 1.00 0.57 C ATOM 1346 CD1 ILE A 85 -10.363 -8.207 2.302 1.00 0.79 C ATOM 0 H ILE A 85 -15.001 -7.685 0.883 1.00 0.50 H new ATOM 0 HA ILE A 85 -12.842 -5.991 1.556 1.00 0.40 H new ATOM 0 HB ILE A 85 -12.829 -8.444 1.906 1.00 0.48 H new ATOM 0 HG12 ILE A 85 -10.561 -8.549 0.203 1.00 0.54 H new ATOM 0 HG13 ILE A 85 -10.724 -6.869 0.677 1.00 0.54 H new ATOM 0 HG21 ILE A 85 -12.469 -9.963 0.003 1.00 0.57 H new ATOM 0 HG22 ILE A 85 -14.033 -9.122 -0.109 1.00 0.57 H new ATOM 0 HG23 ILE A 85 -12.666 -8.597 -1.120 1.00 0.57 H new ATOM 0 HD11 ILE A 85 -9.282 -8.084 2.239 1.00 0.79 H new ATOM 0 HD12 ILE A 85 -10.762 -7.530 3.058 1.00 0.79 H new ATOM 0 HD13 ILE A 85 -10.596 -9.236 2.577 1.00 0.79 H new ATOM 1358 N SER A 86 -12.459 -4.780 -0.598 1.00 0.39 N ATOM 1359 CA SER A 86 -12.038 -4.140 -1.841 1.00 0.45 C ATOM 1360 C SER A 86 -10.766 -4.803 -2.363 1.00 0.44 C ATOM 1361 O SER A 86 -9.700 -4.673 -1.750 1.00 0.43 O ATOM 1362 CB SER A 86 -11.792 -2.645 -1.640 1.00 0.54 C ATOM 1363 OG SER A 86 -10.519 -2.405 -1.057 1.00 0.59 O ATOM 0 H SER A 86 -12.497 -4.164 0.214 1.00 0.39 H new ATOM 0 HA SER A 86 -12.840 -4.260 -2.569 1.00 0.45 H new ATOM 0 HB2 SER A 86 -11.858 -2.131 -2.599 1.00 0.54 H new ATOM 0 HB3 SER A 86 -12.571 -2.229 -1.001 1.00 0.54 H new ATOM 0 HG SER A 86 -10.619 -1.806 -0.288 1.00 0.59 H new ATOM 1369 N PRO A 87 -10.855 -5.524 -3.500 1.00 0.52 N ATOM 1370 CA PRO A 87 -9.707 -6.207 -4.096 1.00 0.61 C ATOM 1371 C PRO A 87 -8.433 -5.368 -4.048 1.00 0.54 C ATOM 1372 O PRO A 87 -8.482 -4.142 -4.149 1.00 0.63 O ATOM 1373 CB PRO A 87 -10.154 -6.431 -5.538 1.00 0.85 C ATOM 1374 CG PRO A 87 -11.634 -6.581 -5.453 1.00 0.74 C ATOM 1375 CD PRO A 87 -12.085 -5.730 -4.292 1.00 0.59 C ATOM 0 HA PRO A 87 -9.451 -7.123 -3.563 1.00 0.61 H new ATOM 0 HB2 PRO A 87 -9.877 -5.591 -6.174 1.00 0.85 H new ATOM 0 HB3 PRO A 87 -9.689 -7.320 -5.964 1.00 0.85 H new ATOM 0 HG2 PRO A 87 -12.110 -6.258 -6.379 1.00 0.74 H new ATOM 0 HG3 PRO A 87 -11.910 -7.624 -5.300 1.00 0.74 H new ATOM 0 HD2 PRO A 87 -12.505 -4.783 -4.631 1.00 0.59 H new ATOM 0 HD3 PRO A 87 -12.857 -6.230 -3.707 1.00 0.59 H new ATOM 1383 N PRO A 88 -7.269 -6.023 -3.888 1.00 0.55 N ATOM 1384 CA PRO A 88 -5.982 -5.338 -3.819 1.00 0.56 C ATOM 1385 C PRO A 88 -5.813 -4.291 -4.907 1.00 0.48 C ATOM 1386 O PRO A 88 -6.213 -4.493 -6.054 1.00 0.68 O ATOM 1387 CB PRO A 88 -4.942 -6.456 -3.988 1.00 0.69 C ATOM 1388 CG PRO A 88 -5.710 -7.724 -4.209 1.00 0.76 C ATOM 1389 CD PRO A 88 -7.120 -7.477 -3.754 1.00 0.72 C ATOM 0 HA PRO A 88 -5.881 -4.792 -2.881 1.00 0.56 H new ATOM 0 HB2 PRO A 88 -4.284 -6.249 -4.832 1.00 0.69 H new ATOM 0 HB3 PRO A 88 -4.310 -6.535 -3.103 1.00 0.69 H new ATOM 0 HG2 PRO A 88 -5.690 -8.007 -5.261 1.00 0.76 H new ATOM 0 HG3 PRO A 88 -5.264 -8.546 -3.649 1.00 0.76 H new ATOM 0 HD2 PRO A 88 -7.841 -8.014 -4.370 1.00 0.72 H new ATOM 0 HD3 PRO A 88 -7.274 -7.804 -2.726 1.00 0.72 H new ATOM 1397 N SER A 89 -5.212 -3.170 -4.530 1.00 0.43 N ATOM 1398 CA SER A 89 -4.976 -2.079 -5.459 1.00 0.42 C ATOM 1399 C SER A 89 -3.559 -2.157 -6.022 1.00 0.35 C ATOM 1400 O SER A 89 -2.594 -1.897 -5.299 1.00 0.51 O ATOM 1401 CB SER A 89 -5.185 -0.737 -4.757 1.00 0.56 C ATOM 1402 OG SER A 89 -6.535 -0.315 -4.854 1.00 1.28 O ATOM 0 H SER A 89 -4.879 -2.995 -3.582 1.00 0.43 H new ATOM 0 HA SER A 89 -5.685 -2.164 -6.282 1.00 0.42 H new ATOM 0 HB2 SER A 89 -4.902 -0.824 -3.708 1.00 0.56 H new ATOM 0 HB3 SER A 89 -4.533 0.015 -5.201 1.00 0.56 H new ATOM 0 HG SER A 89 -6.612 0.379 -5.541 1.00 1.28 H new ATOM 1408 N GLU A 90 -3.468 -2.523 -7.314 1.00 0.38 N ATOM 1409 CA GLU A 90 -2.195 -2.665 -8.065 1.00 0.37 C ATOM 1410 C GLU A 90 -0.953 -2.284 -7.252 1.00 0.34 C ATOM 1411 O GLU A 90 -0.728 -1.114 -6.973 1.00 0.44 O ATOM 1412 CB GLU A 90 -2.250 -1.804 -9.328 1.00 0.49 C ATOM 1413 CG GLU A 90 -1.716 -2.502 -10.569 1.00 0.90 C ATOM 1414 CD GLU A 90 -0.946 -1.565 -11.480 1.00 1.10 C ATOM 1415 OE1 GLU A 90 -1.591 -0.802 -12.228 1.00 1.76 O ATOM 1416 OE2 GLU A 90 0.302 -1.596 -11.444 1.00 1.77 O ATOM 0 H GLU A 90 -4.289 -2.734 -7.881 1.00 0.38 H new ATOM 0 HA GLU A 90 -2.098 -3.723 -8.310 1.00 0.37 H new ATOM 0 HB2 GLU A 90 -3.282 -1.503 -9.507 1.00 0.49 H new ATOM 0 HB3 GLU A 90 -1.677 -0.892 -9.160 1.00 0.49 H new ATOM 0 HG2 GLU A 90 -1.067 -3.324 -10.268 1.00 0.90 H new ATOM 0 HG3 GLU A 90 -2.548 -2.938 -11.122 1.00 0.90 H new ATOM 1423 N PRO A 91 -0.127 -3.267 -6.861 1.00 0.30 N ATOM 1424 CA PRO A 91 1.083 -3.008 -6.076 1.00 0.29 C ATOM 1425 C PRO A 91 1.922 -1.850 -6.622 1.00 0.31 C ATOM 1426 O PRO A 91 2.095 -1.710 -7.833 1.00 0.55 O ATOM 1427 CB PRO A 91 1.855 -4.320 -6.181 1.00 0.36 C ATOM 1428 CG PRO A 91 0.807 -5.363 -6.375 1.00 0.36 C ATOM 1429 CD PRO A 91 -0.306 -4.706 -7.146 1.00 0.39 C ATOM 0 HA PRO A 91 0.841 -2.711 -5.056 1.00 0.29 H new ATOM 0 HB2 PRO A 91 2.555 -4.302 -7.017 1.00 0.36 H new ATOM 0 HB3 PRO A 91 2.439 -4.509 -5.280 1.00 0.36 H new ATOM 0 HG2 PRO A 91 1.206 -6.218 -6.921 1.00 0.36 H new ATOM 0 HG3 PRO A 91 0.448 -5.736 -5.416 1.00 0.36 H new ATOM 0 HD2 PRO A 91 -0.232 -4.915 -8.213 1.00 0.39 H new ATOM 0 HD3 PRO A 91 -1.283 -5.061 -6.819 1.00 0.39 H new ATOM 1437 N SER A 92 2.446 -1.031 -5.711 1.00 0.27 N ATOM 1438 CA SER A 92 3.278 0.106 -6.076 1.00 0.31 C ATOM 1439 C SER A 92 4.664 -0.382 -6.459 1.00 0.27 C ATOM 1440 O SER A 92 5.149 -1.377 -5.907 1.00 0.24 O ATOM 1441 CB SER A 92 3.370 1.113 -4.913 1.00 0.39 C ATOM 1442 OG SER A 92 4.714 1.470 -4.621 1.00 1.23 O ATOM 0 H SER A 92 2.305 -1.139 -4.707 1.00 0.27 H new ATOM 0 HA SER A 92 2.825 0.614 -6.927 1.00 0.31 H new ATOM 0 HB2 SER A 92 2.804 2.010 -5.165 1.00 0.39 H new ATOM 0 HB3 SER A 92 2.908 0.683 -4.024 1.00 0.39 H new ATOM 0 HG SER A 92 4.992 1.041 -3.785 1.00 1.23 H new ATOM 1448 N ASP A 93 5.289 0.327 -7.399 1.00 0.33 N ATOM 1449 CA ASP A 93 6.626 -0.011 -7.877 1.00 0.36 C ATOM 1450 C ASP A 93 7.525 -0.474 -6.742 1.00 0.32 C ATOM 1451 O ASP A 93 7.402 -0.017 -5.605 1.00 0.56 O ATOM 1452 CB ASP A 93 7.257 1.190 -8.579 1.00 0.45 C ATOM 1453 CG ASP A 93 6.633 1.456 -9.934 1.00 0.89 C ATOM 1454 OD1 ASP A 93 6.923 0.695 -10.880 1.00 1.55 O ATOM 1455 OD2 ASP A 93 5.852 2.425 -10.047 1.00 1.63 O ATOM 0 H ASP A 93 4.883 1.148 -7.848 1.00 0.33 H new ATOM 0 HA ASP A 93 6.524 -0.833 -8.585 1.00 0.36 H new ATOM 0 HB2 ASP A 93 7.148 2.074 -7.951 1.00 0.45 H new ATOM 0 HB3 ASP A 93 8.326 1.016 -8.701 1.00 0.45 H new ATOM 1460 N ALA A 94 8.426 -1.388 -7.060 1.00 0.33 N ATOM 1461 CA ALA A 94 9.343 -1.922 -6.074 1.00 0.28 C ATOM 1462 C ALA A 94 10.481 -0.946 -5.791 1.00 0.29 C ATOM 1463 O ALA A 94 11.275 -0.634 -6.677 1.00 0.41 O ATOM 1464 CB ALA A 94 9.901 -3.252 -6.550 1.00 0.34 C ATOM 0 H ALA A 94 8.540 -1.775 -7.997 1.00 0.33 H new ATOM 0 HA ALA A 94 8.792 -2.074 -5.146 1.00 0.28 H new ATOM 0 HB1 ALA A 94 10.589 -3.646 -5.803 1.00 0.34 H new ATOM 0 HB2 ALA A 94 9.083 -3.957 -6.698 1.00 0.34 H new ATOM 0 HB3 ALA A 94 10.431 -3.108 -7.491 1.00 0.34 H new ATOM 1470 N ILE A 95 10.561 -0.476 -4.551 1.00 0.25 N ATOM 1471 CA ILE A 95 11.613 0.452 -4.160 1.00 0.28 C ATOM 1472 C ILE A 95 12.780 -0.296 -3.529 1.00 0.26 C ATOM 1473 O ILE A 95 12.641 -0.886 -2.456 1.00 0.25 O ATOM 1474 CB ILE A 95 11.102 1.511 -3.166 1.00 0.33 C ATOM 1475 CG1 ILE A 95 9.875 2.225 -3.733 1.00 0.41 C ATOM 1476 CG2 ILE A 95 12.205 2.513 -2.857 1.00 0.41 C ATOM 1477 CD1 ILE A 95 8.559 1.623 -3.288 1.00 0.44 C ATOM 0 H ILE A 95 9.913 -0.722 -3.803 1.00 0.25 H new ATOM 0 HA ILE A 95 11.943 0.957 -5.068 1.00 0.28 H new ATOM 0 HB ILE A 95 10.813 1.013 -2.240 1.00 0.33 H new ATOM 0 HG12 ILE A 95 9.905 3.273 -3.433 1.00 0.41 H new ATOM 0 HG13 ILE A 95 9.924 2.204 -4.822 1.00 0.41 H new ATOM 0 HG21 ILE A 95 11.833 3.258 -2.153 1.00 0.41 H new ATOM 0 HG22 ILE A 95 13.057 1.993 -2.419 1.00 0.41 H new ATOM 0 HG23 ILE A 95 12.516 3.007 -3.777 1.00 0.41 H new ATOM 0 HD11 ILE A 95 7.735 2.183 -3.730 1.00 0.44 H new ATOM 0 HD12 ILE A 95 8.507 0.583 -3.611 1.00 0.44 H new ATOM 0 HD13 ILE A 95 8.487 1.669 -2.201 1.00 0.44 H new ATOM 1489 N THR A 96 13.928 -0.276 -4.201 1.00 0.29 N ATOM 1490 CA THR A 96 15.118 -0.963 -3.704 1.00 0.32 C ATOM 1491 C THR A 96 15.418 -0.565 -2.265 1.00 0.32 C ATOM 1492 O THR A 96 15.927 -1.368 -1.483 1.00 0.38 O ATOM 1493 CB THR A 96 16.328 -0.650 -4.584 1.00 0.37 C ATOM 1494 OG1 THR A 96 16.083 -1.008 -5.933 1.00 0.44 O ATOM 1495 CG2 THR A 96 17.585 -1.365 -4.139 1.00 0.43 C ATOM 0 H THR A 96 14.060 0.207 -5.089 1.00 0.29 H new ATOM 0 HA THR A 96 14.919 -2.034 -3.737 1.00 0.32 H new ATOM 0 HB THR A 96 16.483 0.425 -4.489 1.00 0.37 H new ATOM 0 HG1 THR A 96 16.871 -0.796 -6.476 1.00 0.44 H new ATOM 0 HG21 THR A 96 18.408 -1.102 -4.803 1.00 0.43 H new ATOM 0 HG22 THR A 96 17.832 -1.067 -3.120 1.00 0.43 H new ATOM 0 HG23 THR A 96 17.422 -2.442 -4.173 1.00 0.43 H new ATOM 1503 N CYS A 97 15.108 0.680 -1.922 1.00 0.32 N ATOM 1504 CA CYS A 97 15.356 1.174 -0.576 1.00 0.36 C ATOM 1505 C CYS A 97 16.818 0.968 -0.203 1.00 0.43 C ATOM 1506 O CYS A 97 17.185 -0.064 0.349 1.00 0.64 O ATOM 1507 CB CYS A 97 14.455 0.449 0.424 1.00 0.38 C ATOM 1508 SG CYS A 97 12.831 1.210 0.645 1.00 1.10 S ATOM 0 H CYS A 97 14.687 1.361 -2.554 1.00 0.32 H new ATOM 0 HA CYS A 97 15.131 2.240 -0.547 1.00 0.36 H new ATOM 0 HB2 CYS A 97 14.319 -0.581 0.094 1.00 0.38 H new ATOM 0 HB3 CYS A 97 14.960 0.410 1.389 1.00 0.38 H new ATOM 0 HG CYS A 97 12.926 2.200 1.482 1.00 1.10 H new ATOM 1514 N ARG A 98 17.649 1.955 -0.515 1.00 0.53 N ATOM 1515 CA ARG A 98 19.079 1.880 -0.215 1.00 0.63 C ATOM 1516 C ARG A 98 19.541 3.131 0.516 1.00 0.80 C ATOM 1517 O ARG A 98 19.720 3.129 1.735 1.00 1.04 O ATOM 1518 CB ARG A 98 19.922 1.682 -1.491 1.00 0.68 C ATOM 1519 CG ARG A 98 19.130 1.546 -2.785 1.00 0.74 C ATOM 1520 CD ARG A 98 18.953 2.887 -3.476 1.00 0.92 C ATOM 1521 NE ARG A 98 17.595 3.399 -3.326 1.00 1.64 N ATOM 1522 CZ ARG A 98 16.617 3.210 -4.215 1.00 2.31 C ATOM 1523 NH1 ARG A 98 16.857 2.519 -5.321 1.00 2.68 N ATOM 1524 NH2 ARG A 98 15.403 3.710 -4.009 1.00 3.00 N ATOM 0 H ARG A 98 17.360 2.818 -0.976 1.00 0.53 H new ATOM 0 HA ARG A 98 19.227 1.012 0.428 1.00 0.63 H new ATOM 0 HB2 ARG A 98 20.604 2.527 -1.590 1.00 0.68 H new ATOM 0 HB3 ARG A 98 20.536 0.790 -1.365 1.00 0.68 H new ATOM 0 HG2 ARG A 98 19.642 0.856 -3.455 1.00 0.74 H new ATOM 0 HG3 ARG A 98 18.152 1.115 -2.570 1.00 0.74 H new ATOM 0 HD2 ARG A 98 19.660 3.606 -3.062 1.00 0.92 H new ATOM 0 HD3 ARG A 98 19.188 2.784 -4.535 1.00 0.92 H new ATOM 0 HE ARG A 98 17.379 3.937 -2.487 1.00 1.64 H new ATOM 0 HH11 ARG A 98 17.786 2.134 -5.490 1.00 2.68 H new ATOM 0 HH12 ARG A 98 16.112 2.372 -6.002 1.00 2.68 H new ATOM 0 HH21 ARG A 98 15.209 4.246 -3.163 1.00 3.00 H new ATOM 0 HH22 ARG A 98 14.665 3.558 -4.697 1.00 3.00 H new ATOM 1538 N ASP A 99 19.724 4.196 -0.241 1.00 0.92 N ATOM 1539 CA ASP A 99 20.159 5.473 0.307 1.00 1.20 C ATOM 1540 C ASP A 99 19.204 6.597 -0.095 1.00 1.03 C ATOM 1541 O ASP A 99 19.421 7.756 0.255 1.00 1.20 O ATOM 1542 CB ASP A 99 21.574 5.799 -0.172 1.00 1.61 C ATOM 1543 CG ASP A 99 21.585 6.429 -1.550 1.00 1.71 C ATOM 1544 OD1 ASP A 99 21.459 5.683 -2.544 1.00 2.08 O ATOM 1545 OD2 ASP A 99 21.717 7.668 -1.636 1.00 2.14 O ATOM 0 H ASP A 99 19.577 4.204 -1.250 1.00 0.92 H new ATOM 0 HA ASP A 99 20.157 5.391 1.394 1.00 1.20 H new ATOM 0 HB2 ASP A 99 22.048 6.476 0.538 1.00 1.61 H new ATOM 0 HB3 ASP A 99 22.169 4.886 -0.188 1.00 1.61 H new ATOM 1550 N ASP A 100 18.149 6.251 -0.838 1.00 0.85 N ATOM 1551 CA ASP A 100 17.169 7.230 -1.291 1.00 0.92 C ATOM 1552 C ASP A 100 17.849 8.437 -1.934 1.00 1.22 C ATOM 1553 O ASP A 100 17.283 9.529 -1.979 1.00 1.38 O ATOM 1554 CB ASP A 100 16.276 7.668 -0.123 1.00 0.87 C ATOM 1555 CG ASP A 100 14.890 7.049 -0.166 1.00 1.32 C ATOM 1556 OD1 ASP A 100 14.723 5.931 0.364 1.00 2.06 O ATOM 1557 OD2 ASP A 100 13.974 7.683 -0.731 1.00 2.03 O ATOM 0 H ASP A 100 17.955 5.295 -1.137 1.00 0.85 H new ATOM 0 HA ASP A 100 16.545 6.759 -2.050 1.00 0.92 H new ATOM 0 HB2 ASP A 100 16.759 7.398 0.816 1.00 0.87 H new ATOM 0 HB3 ASP A 100 16.183 8.754 -0.133 1.00 0.87 H new ATOM 1562 N VAL A 101 19.066 8.232 -2.434 1.00 1.43 N ATOM 1563 CA VAL A 101 19.819 9.303 -3.076 1.00 1.90 C ATOM 1564 C VAL A 101 20.414 8.863 -4.414 1.00 2.23 C ATOM 1565 O VAL A 101 21.088 9.645 -5.084 1.00 2.80 O ATOM 1566 CB VAL A 101 20.953 9.811 -2.170 1.00 2.20 C ATOM 1567 CG1 VAL A 101 21.690 10.961 -2.836 1.00 2.67 C ATOM 1568 CG2 VAL A 101 20.403 10.228 -0.816 1.00 2.22 C ATOM 0 H VAL A 101 19.550 7.334 -2.406 1.00 1.43 H new ATOM 0 HA VAL A 101 19.108 10.109 -3.256 1.00 1.90 H new ATOM 0 HB VAL A 101 21.664 9.000 -2.012 1.00 2.20 H new ATOM 0 HG11 VAL A 101 22.489 11.309 -2.181 1.00 2.67 H new ATOM 0 HG12 VAL A 101 22.116 10.622 -3.780 1.00 2.67 H new ATOM 0 HG13 VAL A 101 20.994 11.778 -3.025 1.00 2.67 H new ATOM 0 HG21 VAL A 101 21.218 10.585 -0.186 1.00 2.22 H new ATOM 0 HG22 VAL A 101 19.672 11.025 -0.950 1.00 2.22 H new ATOM 0 HG23 VAL A 101 19.924 9.373 -0.339 1.00 2.22 H new ATOM 1578 N GLU A 102 20.166 7.615 -4.809 1.00 1.99 N ATOM 1579 CA GLU A 102 20.683 7.107 -6.069 1.00 2.40 C ATOM 1580 C GLU A 102 19.549 6.675 -6.998 1.00 2.00 C ATOM 1581 O GLU A 102 19.786 6.298 -8.146 1.00 2.49 O ATOM 1582 CB GLU A 102 21.639 5.937 -5.825 1.00 3.22 C ATOM 1583 CG GLU A 102 21.074 4.864 -4.910 1.00 3.87 C ATOM 1584 CD GLU A 102 21.336 3.463 -5.426 1.00 4.18 C ATOM 1585 OE1 GLU A 102 20.855 3.138 -6.532 1.00 4.58 O ATOM 1586 OE2 GLU A 102 22.024 2.691 -4.726 1.00 4.47 O ATOM 0 H GLU A 102 19.613 6.944 -4.275 1.00 1.99 H new ATOM 0 HA GLU A 102 21.231 7.915 -6.554 1.00 2.40 H new ATOM 0 HB2 GLU A 102 21.897 5.485 -6.783 1.00 3.22 H new ATOM 0 HB3 GLU A 102 22.564 6.320 -5.393 1.00 3.22 H new ATOM 0 HG2 GLU A 102 21.512 4.970 -3.918 1.00 3.87 H new ATOM 0 HG3 GLU A 102 20.000 5.013 -4.802 1.00 3.87 H new ATOM 1593 N ALA A 103 18.312 6.734 -6.501 1.00 1.84 N ATOM 1594 CA ALA A 103 17.152 6.352 -7.294 1.00 2.56 C ATOM 1595 C ALA A 103 16.735 7.479 -8.234 1.00 3.21 C ATOM 1596 O ALA A 103 17.060 7.396 -9.437 1.00 3.72 O ATOM 1597 CB ALA A 103 15.996 5.968 -6.382 1.00 3.26 C ATOM 1598 OXT ALA A 103 16.087 8.435 -7.760 1.00 3.79 O ATOM 0 H ALA A 103 18.092 7.043 -5.554 1.00 1.84 H new ATOM 0 HA ALA A 103 17.424 5.489 -7.902 1.00 2.56 H new ATOM 0 HB1 ALA A 103 15.134 5.684 -6.986 1.00 3.26 H new ATOM 0 HB2 ALA A 103 16.292 5.127 -5.754 1.00 3.26 H new ATOM 0 HB3 ALA A 103 15.733 6.817 -5.751 1.00 3.26 H new TER 1604 ALA A 103