USER MOD reduce.3.24.130724 H: found=0, std=0, add=880, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 880 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 44 GLN : amide:sc= 1.12 K(o=0.3,f=-0.84) USER MOD Set 1.2: B 64 HIS : no HE2:sc= -0.821 K(o=0.3,f=-2.7) USER MOD Set 2.1: A 64 HIS : no HE2:sc= -0.73 K(o=0.44,f=-2.3) USER MOD Set 2.2: B 44 GLN : amide:sc= 1.17 K(o=0.44,f=-0.75) USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 163:sc= 1.19 (180deg=1.01) USER MOD Single : A 34 LYS NZ :NH3+ 176:sc= 1.76 (180deg=1.51) USER MOD Single : A 36 LYS NZ :NH3+ 170:sc= -0.0271 (180deg=-0.162) USER MOD Single : A 38 THR OG1 : rot 145:sc= 1.29 USER MOD Single : A 41 TYR OH : rot -53:sc= 0.0225 USER MOD Single : A 43 MET CE :methyl 161:sc= -0.448 (180deg=-1.15) USER MOD Single : A 46 MET CE :methyl -148:sc= -0.966 (180deg=-2.08!) USER MOD Single : A 47 ASN : amide:sc= -0.498 X(o=-0.5,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 148:sc= -0.532 (180deg=-1.87!) USER MOD Single : A 50 LYS NZ :NH3+ 166:sc= -0.0141 (180deg=-0.179) USER MOD Single : A 52 MET CE :methyl -114:sc= -3.6! (180deg=-4.79!) USER MOD Single : A 53 SER OG : rot -29:sc= 0.246 USER MOD Single : A 54 SER OG : rot -32:sc= 0.226 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -178:sc= 1.25 (180deg=1.22) USER MOD Single : A 80 MET CE :methyl -135:sc= -0.296 (180deg=-2.52!) USER MOD Single : A 81 TYR OH : rot 180:sc= -0.234 USER MOD Single : B -1 SER OG : rot 180:sc= 0 USER MOD Single : B -2 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 LYS NZ :NH3+ 173:sc= 1.28 (180deg=1.1) USER MOD Single : B 34 LYS NZ :NH3+ 176:sc= 1.88 (180deg=1.68) USER MOD Single : B 36 LYS NZ :NH3+ 169:sc= -0.0142 (180deg=-0.158) USER MOD Single : B 38 THR OG1 : rot 146:sc= 1.28 USER MOD Single : B 41 TYR OH : rot -56:sc= 0.0165 USER MOD Single : B 43 MET CE :methyl 162:sc= -0.486 (180deg=-1.2) USER MOD Single : B 46 MET CE :methyl -153:sc= -0.978 (180deg=-2.02!) USER MOD Single : B 47 ASN : amide:sc= -0.431 X(o=-0.43,f=0) USER MOD Single : B 49 LYS NZ :NH3+ 151:sc= -0.526 (180deg=-1.85!) USER MOD Single : B 50 LYS NZ :NH3+ 166:sc=-0.00739 (180deg=-0.152) USER MOD Single : B 52 MET CE :methyl -111:sc= -3.54! (180deg=-4.72!) USER MOD Single : B 53 SER OG : rot -28:sc= 0.36 USER MOD Single : B 54 SER OG : rot -36:sc= 0.262 USER MOD Single : B 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 59 SER OG : rot 180:sc= 0 USER MOD Single : B 63 THR OG1 : rot 180:sc= 0 USER MOD Single : B 74 SER OG : rot 180:sc= 0 USER MOD Single : B 78 LYS NZ :NH3+ -155:sc= 1.22 (180deg=1.13) USER MOD Single : B 80 MET CE :methyl -134:sc= -0.293 (180deg=-2.53!) USER MOD Single : B 81 TYR OH : rot 180:sc= -0.255 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 3.978 -22.388 5.511 1.00 7.36 N ATOM 2 CA GLY A -2 4.579 -21.037 5.435 1.00 7.04 C ATOM 3 C GLY A -2 4.893 -20.636 4.012 1.00 6.49 C ATOM 4 O GLY A -2 5.630 -21.331 3.313 1.00 6.41 O ATOM 0 H1 GLY A -2 3.778 -22.624 6.504 1.00 7.36 H new ATOM 0 H2 GLY A -2 3.092 -22.405 4.966 1.00 7.36 H new ATOM 0 H3 GLY A -2 4.641 -23.085 5.116 1.00 7.36 H new ATOM 0 HA2 GLY A -2 3.895 -20.311 5.874 1.00 7.04 H new ATOM 0 HA3 GLY A -2 5.493 -21.013 6.028 1.00 7.04 H new ATOM 10 N SER A -1 4.328 -19.521 3.577 1.00 6.40 N ATOM 11 CA SER A -1 4.540 -19.041 2.225 1.00 6.10 C ATOM 12 C SER A -1 4.500 -17.516 2.181 1.00 5.78 C ATOM 13 O SER A -1 5.529 -16.875 1.959 1.00 6.08 O ATOM 14 CB SER A -1 3.483 -19.633 1.283 1.00 6.39 C ATOM 15 OG SER A -1 3.696 -19.231 -0.063 1.00 6.63 O ATOM 0 H SER A -1 3.718 -18.932 4.144 1.00 6.40 H new ATOM 0 HA SER A -1 5.527 -19.365 1.893 1.00 6.10 H new ATOM 0 HB2 SER A -1 3.507 -20.721 1.346 1.00 6.39 H new ATOM 0 HB3 SER A -1 2.491 -19.317 1.605 1.00 6.39 H new ATOM 0 HG SER A -1 3.006 -19.627 -0.636 1.00 6.63 H new ATOM 21 N LYS A 32 3.317 -16.944 2.435 1.00 5.46 N ATOM 22 CA LYS A 32 3.095 -15.508 2.257 1.00 5.30 C ATOM 23 C LYS A 32 3.553 -15.089 0.867 1.00 4.83 C ATOM 24 O LYS A 32 4.547 -14.379 0.717 1.00 4.65 O ATOM 25 CB LYS A 32 3.825 -14.672 3.321 1.00 5.58 C ATOM 26 CG LYS A 32 3.165 -14.665 4.696 1.00 6.00 C ATOM 27 CD LYS A 32 3.272 -16.011 5.390 1.00 6.38 C ATOM 28 CE LYS A 32 2.841 -15.927 6.848 1.00 7.09 C ATOM 29 NZ LYS A 32 1.423 -15.508 6.994 1.00 7.47 N ATOM 0 H LYS A 32 2.499 -17.456 2.765 1.00 5.46 H new ATOM 0 HA LYS A 32 2.027 -15.322 2.372 1.00 5.30 H new ATOM 0 HB2 LYS A 32 4.842 -15.050 3.424 1.00 5.58 H new ATOM 0 HB3 LYS A 32 3.901 -13.644 2.965 1.00 5.58 H new ATOM 0 HG2 LYS A 32 3.631 -13.900 5.317 1.00 6.00 H new ATOM 0 HG3 LYS A 32 2.114 -14.394 4.591 1.00 6.00 H new ATOM 0 HD2 LYS A 32 2.652 -16.740 4.868 1.00 6.38 H new ATOM 0 HD3 LYS A 32 4.300 -16.369 5.334 1.00 6.38 H new ATOM 0 HE2 LYS A 32 2.981 -16.898 7.322 1.00 7.09 H new ATOM 0 HE3 LYS A 32 3.482 -15.220 7.374 1.00 7.09 H new ATOM 0 HZ1 LYS A 32 1.090 -15.737 7.952 1.00 7.47 H new ATOM 0 HZ2 LYS A 32 1.346 -14.483 6.837 1.00 7.47 H new ATOM 0 HZ3 LYS A 32 0.839 -16.010 6.295 1.00 7.47 H new ATOM 43 N GLU A 33 2.832 -15.549 -0.140 1.00 4.81 N ATOM 44 CA GLU A 33 3.224 -15.332 -1.523 1.00 4.46 C ATOM 45 C GLU A 33 2.673 -14.014 -2.060 1.00 3.99 C ATOM 46 O GLU A 33 1.459 -13.830 -2.178 1.00 4.06 O ATOM 47 CB GLU A 33 2.742 -16.495 -2.385 1.00 4.70 C ATOM 48 CG GLU A 33 3.283 -16.480 -3.806 1.00 4.79 C ATOM 49 CD GLU A 33 2.801 -17.666 -4.613 1.00 4.98 C ATOM 50 OE1 GLU A 33 1.694 -17.591 -5.180 1.00 5.29 O ATOM 51 OE2 GLU A 33 3.519 -18.689 -4.670 1.00 5.18 O ATOM 0 H GLU A 33 1.967 -16.078 -0.026 1.00 4.81 H new ATOM 0 HA GLU A 33 4.312 -15.277 -1.563 1.00 4.46 H new ATOM 0 HB2 GLU A 33 3.031 -17.431 -1.908 1.00 4.70 H new ATOM 0 HB3 GLU A 33 1.653 -16.479 -2.422 1.00 4.70 H new ATOM 0 HG2 GLU A 33 2.977 -15.558 -4.300 1.00 4.79 H new ATOM 0 HG3 GLU A 33 4.373 -16.480 -3.778 1.00 4.79 H new ATOM 58 N LYS A 34 3.584 -13.103 -2.365 1.00 3.73 N ATOM 59 CA LYS A 34 3.253 -11.820 -2.978 1.00 3.43 C ATOM 60 C LYS A 34 4.083 -11.663 -4.246 1.00 3.03 C ATOM 61 O LYS A 34 4.977 -12.474 -4.499 1.00 3.00 O ATOM 62 CB LYS A 34 3.560 -10.643 -2.029 1.00 3.71 C ATOM 63 CG LYS A 34 2.820 -10.668 -0.696 1.00 4.14 C ATOM 64 CD LYS A 34 3.504 -11.565 0.324 1.00 4.58 C ATOM 65 CE LYS A 34 4.912 -11.084 0.654 1.00 5.29 C ATOM 66 NZ LYS A 34 5.625 -12.039 1.536 1.00 5.78 N ATOM 0 H LYS A 34 4.581 -13.231 -2.194 1.00 3.73 H new ATOM 0 HA LYS A 34 2.186 -11.806 -3.201 1.00 3.43 H new ATOM 0 HB2 LYS A 34 4.632 -10.629 -1.830 1.00 3.71 H new ATOM 0 HB3 LYS A 34 3.318 -9.712 -2.542 1.00 3.71 H new ATOM 0 HG2 LYS A 34 2.754 -9.655 -0.300 1.00 4.14 H new ATOM 0 HG3 LYS A 34 1.799 -11.015 -0.856 1.00 4.14 H new ATOM 0 HD2 LYS A 34 2.908 -11.596 1.236 1.00 4.58 H new ATOM 0 HD3 LYS A 34 3.550 -12.583 -0.062 1.00 4.58 H new ATOM 0 HE2 LYS A 34 5.476 -10.950 -0.269 1.00 5.29 H new ATOM 0 HE3 LYS A 34 4.859 -10.110 1.140 1.00 5.29 H new ATOM 0 HZ1 LYS A 34 6.601 -11.712 1.684 1.00 5.78 H new ATOM 0 HZ2 LYS A 34 5.137 -12.096 2.452 1.00 5.78 H new ATOM 0 HZ3 LYS A 34 5.638 -12.979 1.091 1.00 5.78 H new ATOM 80 N PRO A 35 3.782 -10.660 -5.084 1.00 2.87 N ATOM 81 CA PRO A 35 4.658 -10.283 -6.195 1.00 2.61 C ATOM 82 C PRO A 35 6.080 -10.024 -5.698 1.00 2.27 C ATOM 83 O PRO A 35 6.275 -9.324 -4.701 1.00 2.34 O ATOM 84 CB PRO A 35 4.025 -8.998 -6.749 1.00 2.80 C ATOM 85 CG PRO A 35 2.984 -8.591 -5.759 1.00 3.20 C ATOM 86 CD PRO A 35 2.563 -9.844 -5.051 1.00 3.15 C ATOM 0 HA PRO A 35 4.742 -11.065 -6.950 1.00 2.61 H new ATOM 0 HB2 PRO A 35 4.774 -8.216 -6.871 1.00 2.80 H new ATOM 0 HB3 PRO A 35 3.583 -9.172 -7.730 1.00 2.80 H new ATOM 0 HG2 PRO A 35 3.382 -7.861 -5.054 1.00 3.20 H new ATOM 0 HG3 PRO A 35 2.135 -8.122 -6.258 1.00 3.20 H new ATOM 0 HD2 PRO A 35 2.239 -9.642 -4.030 1.00 3.15 H new ATOM 0 HD3 PRO A 35 1.733 -10.336 -5.558 1.00 3.15 H new ATOM 94 N LYS A 36 7.060 -10.600 -6.394 1.00 2.07 N ATOM 95 CA LYS A 36 8.444 -10.610 -5.926 1.00 1.82 C ATOM 96 C LYS A 36 8.969 -9.219 -5.601 1.00 1.56 C ATOM 97 O LYS A 36 8.840 -8.284 -6.395 1.00 1.53 O ATOM 98 CB LYS A 36 9.373 -11.271 -6.941 1.00 1.80 C ATOM 99 CG LYS A 36 9.318 -10.665 -8.336 1.00 2.24 C ATOM 100 CD LYS A 36 10.320 -11.331 -9.267 1.00 2.52 C ATOM 101 CE LYS A 36 10.261 -10.752 -10.673 1.00 3.04 C ATOM 102 NZ LYS A 36 10.581 -9.302 -10.698 1.00 3.62 N ATOM 0 H LYS A 36 6.919 -11.068 -7.289 1.00 2.07 H new ATOM 0 HA LYS A 36 8.437 -11.192 -5.005 1.00 1.82 H new ATOM 0 HB2 LYS A 36 10.397 -11.209 -6.572 1.00 1.80 H new ATOM 0 HB3 LYS A 36 9.122 -12.330 -7.008 1.00 1.80 H new ATOM 0 HG2 LYS A 36 8.313 -10.773 -8.743 1.00 2.24 H new ATOM 0 HG3 LYS A 36 9.525 -9.596 -8.279 1.00 2.24 H new ATOM 0 HD2 LYS A 36 11.326 -11.208 -8.866 1.00 2.52 H new ATOM 0 HD3 LYS A 36 10.122 -12.402 -9.307 1.00 2.52 H new ATOM 0 HE2 LYS A 36 10.961 -11.288 -11.314 1.00 3.04 H new ATOM 0 HE3 LYS A 36 9.265 -10.909 -11.087 1.00 3.04 H new ATOM 0 HZ1 LYS A 36 10.695 -8.989 -11.683 1.00 3.62 H new ATOM 0 HZ2 LYS A 36 9.808 -8.768 -10.252 1.00 3.62 H new ATOM 0 HZ3 LYS A 36 11.465 -9.132 -10.176 1.00 3.62 H new ATOM 116 N PRO A 37 9.569 -9.079 -4.418 1.00 1.50 N ATOM 117 CA PRO A 37 10.181 -7.837 -3.976 1.00 1.33 C ATOM 118 C PRO A 37 11.655 -7.741 -4.369 1.00 1.14 C ATOM 119 O PRO A 37 12.342 -8.755 -4.500 1.00 1.27 O ATOM 120 CB PRO A 37 10.027 -7.948 -2.470 1.00 1.52 C ATOM 121 CG PRO A 37 10.231 -9.395 -2.187 1.00 1.74 C ATOM 122 CD PRO A 37 9.682 -10.132 -3.385 1.00 1.75 C ATOM 0 HA PRO A 37 9.728 -6.950 -4.418 1.00 1.33 H new ATOM 0 HB2 PRO A 37 10.760 -7.333 -1.948 1.00 1.52 H new ATOM 0 HB3 PRO A 37 9.042 -7.614 -2.145 1.00 1.52 H new ATOM 0 HG2 PRO A 37 11.288 -9.619 -2.041 1.00 1.74 H new ATOM 0 HG3 PRO A 37 9.713 -9.691 -1.275 1.00 1.74 H new ATOM 0 HD2 PRO A 37 10.348 -10.935 -3.702 1.00 1.75 H new ATOM 0 HD3 PRO A 37 8.715 -10.586 -3.168 1.00 1.75 H new ATOM 130 N THR A 38 12.130 -6.521 -4.567 1.00 0.97 N ATOM 131 CA THR A 38 13.521 -6.292 -4.922 1.00 0.83 C ATOM 132 C THR A 38 14.068 -5.079 -4.164 1.00 0.72 C ATOM 133 O THR A 38 13.284 -4.292 -3.628 1.00 0.65 O ATOM 134 CB THR A 38 13.680 -6.071 -6.442 1.00 0.79 C ATOM 135 OG1 THR A 38 12.783 -5.044 -6.883 1.00 0.85 O ATOM 136 CG2 THR A 38 13.413 -7.352 -7.220 1.00 0.95 C ATOM 0 H THR A 38 11.570 -5.672 -4.487 1.00 0.97 H new ATOM 0 HA THR A 38 14.088 -7.180 -4.642 1.00 0.83 H new ATOM 0 HB THR A 38 14.709 -5.766 -6.630 1.00 0.79 H new ATOM 0 HG1 THR A 38 13.205 -4.527 -7.601 1.00 0.85 H new ATOM 0 HG21 THR A 38 13.533 -7.162 -8.287 1.00 0.95 H new ATOM 0 HG22 THR A 38 14.118 -8.122 -6.907 1.00 0.95 H new ATOM 0 HG23 THR A 38 12.396 -7.691 -7.024 1.00 0.95 H new ATOM 144 N PRO A 39 15.401 -4.913 -4.077 1.00 0.74 N ATOM 145 CA PRO A 39 16.003 -3.760 -3.395 1.00 0.70 C ATOM 146 C PRO A 39 15.457 -2.425 -3.900 1.00 0.62 C ATOM 147 O PRO A 39 15.059 -1.575 -3.107 1.00 0.56 O ATOM 148 CB PRO A 39 17.487 -3.882 -3.721 1.00 0.78 C ATOM 149 CG PRO A 39 17.700 -5.337 -3.971 1.00 0.87 C ATOM 150 CD PRO A 39 16.427 -5.839 -4.598 1.00 0.83 C ATOM 0 HA PRO A 39 15.785 -3.769 -2.327 1.00 0.70 H new ATOM 0 HB2 PRO A 39 17.751 -3.287 -4.595 1.00 0.78 H new ATOM 0 HB3 PRO A 39 18.104 -3.527 -2.896 1.00 0.78 H new ATOM 0 HG2 PRO A 39 18.551 -5.499 -4.632 1.00 0.87 H new ATOM 0 HG3 PRO A 39 17.913 -5.866 -3.042 1.00 0.87 H new ATOM 0 HD2 PRO A 39 16.477 -5.812 -5.687 1.00 0.83 H new ATOM 0 HD3 PRO A 39 16.219 -6.871 -4.314 1.00 0.83 H new ATOM 158 N ASP A 40 15.414 -2.258 -5.223 1.00 0.66 N ATOM 159 CA ASP A 40 14.908 -1.024 -5.831 1.00 0.64 C ATOM 160 C ASP A 40 13.474 -0.759 -5.383 1.00 0.58 C ATOM 161 O ASP A 40 13.079 0.386 -5.150 1.00 0.58 O ATOM 162 CB ASP A 40 14.977 -1.100 -7.364 1.00 0.72 C ATOM 163 CG ASP A 40 14.072 -2.168 -7.950 1.00 1.44 C ATOM 164 OD1 ASP A 40 14.459 -3.352 -7.934 1.00 2.22 O ATOM 165 OD2 ASP A 40 12.967 -1.830 -8.428 1.00 2.15 O ATOM 0 H ASP A 40 15.723 -2.961 -5.895 1.00 0.66 H new ATOM 0 HA ASP A 40 15.539 -0.200 -5.499 1.00 0.64 H new ATOM 0 HB2 ASP A 40 14.703 -0.131 -7.782 1.00 0.72 H new ATOM 0 HB3 ASP A 40 16.005 -1.298 -7.666 1.00 0.72 H new ATOM 170 N TYR A 41 12.710 -1.834 -5.243 1.00 0.57 N ATOM 171 CA TYR A 41 11.345 -1.745 -4.754 1.00 0.54 C ATOM 172 C TYR A 41 11.332 -1.194 -3.328 1.00 0.46 C ATOM 173 O TYR A 41 10.456 -0.411 -2.959 1.00 0.43 O ATOM 174 CB TYR A 41 10.664 -3.122 -4.799 1.00 0.61 C ATOM 175 CG TYR A 41 9.195 -3.081 -4.441 1.00 0.63 C ATOM 176 CD1 TYR A 41 8.782 -3.115 -3.117 1.00 0.64 C ATOM 177 CD2 TYR A 41 8.221 -2.986 -5.429 1.00 0.83 C ATOM 178 CE1 TYR A 41 7.446 -3.050 -2.785 1.00 0.69 C ATOM 179 CE2 TYR A 41 6.882 -2.928 -5.103 1.00 0.88 C ATOM 180 CZ TYR A 41 6.500 -2.956 -3.779 1.00 0.73 C ATOM 181 OH TYR A 41 5.173 -2.874 -3.446 1.00 0.81 O ATOM 0 H TYR A 41 13.017 -2.782 -5.463 1.00 0.57 H new ATOM 0 HA TYR A 41 10.789 -1.065 -5.400 1.00 0.54 H new ATOM 0 HB2 TYR A 41 10.774 -3.541 -5.799 1.00 0.61 H new ATOM 0 HB3 TYR A 41 11.178 -3.795 -4.113 1.00 0.61 H new ATOM 0 HD1 TYR A 41 9.520 -3.194 -2.333 1.00 0.64 H new ATOM 0 HD2 TYR A 41 8.517 -2.957 -6.467 1.00 0.83 H new ATOM 0 HE1 TYR A 41 7.143 -3.073 -1.749 1.00 0.69 H new ATOM 0 HE2 TYR A 41 6.136 -2.861 -5.882 1.00 0.88 H new ATOM 0 HH TYR A 41 4.940 -3.613 -2.846 1.00 0.81 H new ATOM 191 N LEU A 42 12.330 -1.576 -2.543 1.00 0.44 N ATOM 192 CA LEU A 42 12.383 -1.196 -1.139 1.00 0.39 C ATOM 193 C LEU A 42 12.943 0.211 -0.967 1.00 0.37 C ATOM 194 O LEU A 42 12.577 0.918 -0.032 1.00 0.34 O ATOM 195 CB LEU A 42 13.231 -2.195 -0.344 1.00 0.43 C ATOM 196 CG LEU A 42 13.362 -1.897 1.154 1.00 0.41 C ATOM 197 CD1 LEU A 42 12.000 -1.883 1.821 1.00 0.37 C ATOM 198 CD2 LEU A 42 14.269 -2.915 1.825 1.00 0.48 C ATOM 0 H LEU A 42 13.114 -2.149 -2.855 1.00 0.44 H new ATOM 0 HA LEU A 42 11.363 -1.208 -0.755 1.00 0.39 H new ATOM 0 HB2 LEU A 42 12.799 -3.189 -0.464 1.00 0.43 H new ATOM 0 HB3 LEU A 42 14.229 -2.227 -0.780 1.00 0.43 H new ATOM 0 HG LEU A 42 13.809 -0.909 1.265 1.00 0.41 H new ATOM 0 HD11 LEU A 42 12.117 -1.670 2.883 1.00 0.37 H new ATOM 0 HD12 LEU A 42 11.378 -1.114 1.363 1.00 0.37 H new ATOM 0 HD13 LEU A 42 11.524 -2.856 1.697 1.00 0.37 H new ATOM 0 HD21 LEU A 42 14.349 -2.686 2.888 1.00 0.48 H new ATOM 0 HD22 LEU A 42 13.851 -3.914 1.699 1.00 0.48 H new ATOM 0 HD23 LEU A 42 15.259 -2.876 1.370 1.00 0.48 H new ATOM 210 N MET A 43 13.798 0.636 -1.889 1.00 0.40 N ATOM 211 CA MET A 43 14.488 1.912 -1.743 1.00 0.40 C ATOM 212 C MET A 43 13.509 3.050 -1.968 1.00 0.37 C ATOM 213 O MET A 43 13.567 4.089 -1.309 1.00 0.36 O ATOM 214 CB MET A 43 15.655 2.030 -2.728 1.00 0.47 C ATOM 215 CG MET A 43 16.722 0.950 -2.586 1.00 0.63 C ATOM 216 SD MET A 43 17.397 0.820 -0.917 1.00 0.85 S ATOM 217 CE MET A 43 16.475 -0.578 -0.273 1.00 0.55 C ATOM 0 H MET A 43 14.029 0.121 -2.739 1.00 0.40 H new ATOM 0 HA MET A 43 14.892 1.967 -0.732 1.00 0.40 H new ATOM 0 HB2 MET A 43 15.260 2.000 -3.743 1.00 0.47 H new ATOM 0 HB3 MET A 43 16.125 3.005 -2.598 1.00 0.47 H new ATOM 0 HG2 MET A 43 16.295 -0.011 -2.873 1.00 0.63 H new ATOM 0 HG3 MET A 43 17.534 1.159 -3.283 1.00 0.63 H new ATOM 0 HE1 MET A 43 16.995 -0.990 0.592 1.00 0.55 H new ATOM 0 HE2 MET A 43 15.479 -0.251 0.024 1.00 0.55 H new ATOM 0 HE3 MET A 43 16.390 -1.344 -1.044 1.00 0.55 H new ATOM 227 N GLN A 44 12.591 2.823 -2.890 1.00 0.36 N ATOM 228 CA GLN A 44 11.549 3.793 -3.189 1.00 0.35 C ATOM 229 C GLN A 44 10.576 3.891 -2.021 1.00 0.30 C ATOM 230 O GLN A 44 10.096 4.972 -1.686 1.00 0.30 O ATOM 231 CB GLN A 44 10.814 3.397 -4.466 1.00 0.42 C ATOM 232 CG GLN A 44 11.687 3.470 -5.707 1.00 0.52 C ATOM 233 CD GLN A 44 11.054 2.793 -6.902 1.00 0.64 C ATOM 234 OE1 GLN A 44 10.300 3.406 -7.654 1.00 0.91 O ATOM 235 NE2 GLN A 44 11.360 1.520 -7.084 1.00 0.75 N ATOM 0 H GLN A 44 12.545 1.971 -3.448 1.00 0.36 H new ATOM 0 HA GLN A 44 12.007 4.770 -3.342 1.00 0.35 H new ATOM 0 HB2 GLN A 44 10.432 2.382 -4.358 1.00 0.42 H new ATOM 0 HB3 GLN A 44 9.951 4.050 -4.598 1.00 0.42 H new ATOM 0 HG2 GLN A 44 11.884 4.515 -5.948 1.00 0.52 H new ATOM 0 HG3 GLN A 44 12.650 3.004 -5.498 1.00 0.52 H new ATOM 0 HE21 GLN A 44 11.991 1.049 -6.435 1.00 0.75 H new ATOM 0 HE22 GLN A 44 10.966 1.008 -7.873 1.00 0.75 H new ATOM 244 N LEU A 45 10.316 2.751 -1.388 1.00 0.27 N ATOM 245 CA LEU A 45 9.448 2.706 -0.216 1.00 0.25 C ATOM 246 C LEU A 45 10.050 3.485 0.945 1.00 0.23 C ATOM 247 O LEU A 45 9.324 4.047 1.768 1.00 0.23 O ATOM 248 CB LEU A 45 9.194 1.261 0.215 1.00 0.29 C ATOM 249 CG LEU A 45 8.097 0.528 -0.556 1.00 0.32 C ATOM 250 CD1 LEU A 45 7.984 -0.913 -0.088 1.00 0.38 C ATOM 251 CD2 LEU A 45 6.768 1.241 -0.374 1.00 0.31 C ATOM 0 H LEU A 45 10.694 1.846 -1.667 1.00 0.27 H new ATOM 0 HA LEU A 45 8.501 3.168 -0.493 1.00 0.25 H new ATOM 0 HB2 LEU A 45 10.123 0.701 0.111 1.00 0.29 H new ATOM 0 HB3 LEU A 45 8.935 1.256 1.274 1.00 0.29 H new ATOM 0 HG LEU A 45 8.359 0.527 -1.614 1.00 0.32 H new ATOM 0 HD11 LEU A 45 7.197 -1.417 -0.649 1.00 0.38 H new ATOM 0 HD12 LEU A 45 8.932 -1.424 -0.253 1.00 0.38 H new ATOM 0 HD13 LEU A 45 7.741 -0.933 0.974 1.00 0.38 H new ATOM 0 HD21 LEU A 45 5.992 0.711 -0.927 1.00 0.31 H new ATOM 0 HD22 LEU A 45 6.509 1.262 0.684 1.00 0.31 H new ATOM 0 HD23 LEU A 45 6.848 2.261 -0.749 1.00 0.31 H new ATOM 263 N MET A 46 11.376 3.534 0.997 1.00 0.26 N ATOM 264 CA MET A 46 12.061 4.226 2.078 1.00 0.28 C ATOM 265 C MET A 46 11.764 5.713 2.036 1.00 0.27 C ATOM 266 O MET A 46 11.631 6.354 3.079 1.00 0.41 O ATOM 267 CB MET A 46 13.573 4.025 2.016 1.00 0.33 C ATOM 268 CG MET A 46 14.025 2.581 2.140 1.00 0.39 C ATOM 269 SD MET A 46 15.808 2.432 2.387 1.00 0.49 S ATOM 270 CE MET A 46 16.436 3.528 1.115 1.00 0.49 C ATOM 0 H MET A 46 11.993 3.105 0.307 1.00 0.26 H new ATOM 0 HA MET A 46 11.689 3.798 3.009 1.00 0.28 H new ATOM 0 HB2 MET A 46 13.941 4.427 1.072 1.00 0.33 H new ATOM 0 HB3 MET A 46 14.036 4.607 2.813 1.00 0.33 H new ATOM 0 HG2 MET A 46 13.505 2.112 2.975 1.00 0.39 H new ATOM 0 HG3 MET A 46 13.739 2.036 1.240 1.00 0.39 H new ATOM 0 HE1 MET A 46 17.393 3.154 0.752 1.00 0.49 H new ATOM 0 HE2 MET A 46 15.726 3.571 0.289 1.00 0.49 H new ATOM 0 HE3 MET A 46 16.571 4.527 1.530 1.00 0.49 H new ATOM 280 N ASN A 47 11.633 6.267 0.834 1.00 0.24 N ATOM 281 CA ASN A 47 11.404 7.695 0.686 1.00 0.30 C ATOM 282 C ASN A 47 9.925 7.999 0.865 1.00 0.26 C ATOM 283 O ASN A 47 9.555 9.074 1.328 1.00 0.27 O ATOM 284 CB ASN A 47 11.872 8.164 -0.700 1.00 0.42 C ATOM 285 CG ASN A 47 11.686 9.659 -0.929 1.00 0.80 C ATOM 286 OD1 ASN A 47 11.348 10.091 -2.032 1.00 1.61 O ATOM 287 ND2 ASN A 47 11.937 10.465 0.093 1.00 1.42 N ATOM 0 H ASN A 47 11.682 5.750 -0.044 1.00 0.24 H new ATOM 0 HA ASN A 47 11.974 8.227 1.448 1.00 0.30 H new ATOM 0 HB2 ASN A 47 12.926 7.914 -0.823 1.00 0.42 H new ATOM 0 HB3 ASN A 47 11.323 7.616 -1.465 1.00 0.42 H new ATOM 0 HD21 ASN A 47 11.852 11.475 -0.021 1.00 1.42 H new ATOM 0 HD22 ASN A 47 12.215 10.075 0.994 1.00 1.42 H new ATOM 294 N ASP A 48 9.082 7.024 0.542 1.00 0.24 N ATOM 295 CA ASP A 48 7.638 7.212 0.610 1.00 0.24 C ATOM 296 C ASP A 48 7.180 7.271 2.061 1.00 0.25 C ATOM 297 O ASP A 48 6.477 8.199 2.461 1.00 0.30 O ATOM 298 CB ASP A 48 6.903 6.078 -0.119 1.00 0.25 C ATOM 299 CG ASP A 48 6.886 6.235 -1.632 1.00 0.29 C ATOM 300 OD1 ASP A 48 7.261 7.316 -2.131 1.00 0.93 O ATOM 301 OD2 ASP A 48 6.469 5.284 -2.330 1.00 0.74 O ATOM 0 H ASP A 48 9.373 6.097 0.231 1.00 0.24 H new ATOM 0 HA ASP A 48 7.398 8.155 0.119 1.00 0.24 H new ATOM 0 HB2 ASP A 48 7.376 5.129 0.134 1.00 0.25 H new ATOM 0 HB3 ASP A 48 5.876 6.030 0.244 1.00 0.25 H new ATOM 306 N LYS A 49 7.611 6.289 2.852 1.00 0.22 N ATOM 307 CA LYS A 49 7.234 6.206 4.261 1.00 0.27 C ATOM 308 C LYS A 49 7.813 7.384 5.045 1.00 0.32 C ATOM 309 O LYS A 49 7.266 7.802 6.067 1.00 0.44 O ATOM 310 CB LYS A 49 7.728 4.884 4.864 1.00 0.31 C ATOM 311 CG LYS A 49 6.761 4.251 5.860 1.00 0.59 C ATOM 312 CD LYS A 49 6.588 5.079 7.127 1.00 0.92 C ATOM 313 CE LYS A 49 7.662 4.787 8.168 1.00 1.45 C ATOM 314 NZ LYS A 49 8.989 5.357 7.809 1.00 2.10 N ATOM 0 H LYS A 49 8.224 5.537 2.538 1.00 0.22 H new ATOM 0 HA LYS A 49 6.147 6.245 4.328 1.00 0.27 H new ATOM 0 HB2 LYS A 49 7.915 4.176 4.056 1.00 0.31 H new ATOM 0 HB3 LYS A 49 8.682 5.059 5.362 1.00 0.31 H new ATOM 0 HG2 LYS A 49 5.790 4.120 5.383 1.00 0.59 H new ATOM 0 HG3 LYS A 49 7.122 3.258 6.128 1.00 0.59 H new ATOM 0 HD2 LYS A 49 6.614 6.138 6.871 1.00 0.92 H new ATOM 0 HD3 LYS A 49 5.606 4.879 7.557 1.00 0.92 H new ATOM 0 HE2 LYS A 49 7.347 5.191 9.130 1.00 1.45 H new ATOM 0 HE3 LYS A 49 7.757 3.708 8.291 1.00 1.45 H new ATOM 0 HZ1 LYS A 49 9.499 5.622 8.676 1.00 2.10 H new ATOM 0 HZ2 LYS A 49 9.541 4.648 7.285 1.00 2.10 H new ATOM 0 HZ3 LYS A 49 8.855 6.200 7.215 1.00 2.10 H new ATOM 328 N LYS A 50 8.902 7.942 4.551 1.00 0.30 N ATOM 329 CA LYS A 50 9.573 9.016 5.257 1.00 0.37 C ATOM 330 C LYS A 50 8.937 10.349 4.890 1.00 0.39 C ATOM 331 O LYS A 50 8.663 11.176 5.757 1.00 0.43 O ATOM 332 CB LYS A 50 11.068 9.025 4.932 1.00 0.42 C ATOM 333 CG LYS A 50 11.888 9.898 5.870 1.00 1.14 C ATOM 334 CD LYS A 50 13.380 9.722 5.636 1.00 1.67 C ATOM 335 CE LYS A 50 13.825 10.323 4.312 1.00 2.35 C ATOM 336 NZ LYS A 50 13.708 11.807 4.304 1.00 3.05 N ATOM 0 H LYS A 50 9.338 7.672 3.670 1.00 0.30 H new ATOM 0 HA LYS A 50 9.463 8.855 6.329 1.00 0.37 H new ATOM 0 HB2 LYS A 50 11.447 8.004 4.975 1.00 0.42 H new ATOM 0 HB3 LYS A 50 11.207 9.374 3.909 1.00 0.42 H new ATOM 0 HG2 LYS A 50 11.617 10.944 5.725 1.00 1.14 H new ATOM 0 HG3 LYS A 50 11.649 9.647 6.904 1.00 1.14 H new ATOM 0 HD2 LYS A 50 13.932 10.191 6.450 1.00 1.67 H new ATOM 0 HD3 LYS A 50 13.627 8.660 5.653 1.00 1.67 H new ATOM 0 HE2 LYS A 50 14.859 10.040 4.115 1.00 2.35 H new ATOM 0 HE3 LYS A 50 13.222 9.908 3.505 1.00 2.35 H new ATOM 0 HZ1 LYS A 50 14.233 12.192 3.493 1.00 3.05 H new ATOM 0 HZ2 LYS A 50 12.706 12.076 4.227 1.00 3.05 H new ATOM 0 HZ3 LYS A 50 14.103 12.191 5.186 1.00 3.05 H new ATOM 350 N LEU A 51 8.677 10.530 3.601 1.00 0.38 N ATOM 351 CA LEU A 51 8.074 11.756 3.100 1.00 0.44 C ATOM 352 C LEU A 51 6.659 11.924 3.645 1.00 0.42 C ATOM 353 O LEU A 51 6.255 13.030 3.999 1.00 0.47 O ATOM 354 CB LEU A 51 8.077 11.747 1.563 1.00 0.48 C ATOM 355 CG LEU A 51 7.680 13.061 0.875 1.00 0.70 C ATOM 356 CD1 LEU A 51 8.339 13.156 -0.491 1.00 1.10 C ATOM 357 CD2 LEU A 51 6.170 13.163 0.722 1.00 1.22 C ATOM 0 H LEU A 51 8.877 9.837 2.880 1.00 0.38 H new ATOM 0 HA LEU A 51 8.663 12.606 3.444 1.00 0.44 H new ATOM 0 HB2 LEU A 51 9.076 11.471 1.224 1.00 0.48 H new ATOM 0 HB3 LEU A 51 7.398 10.964 1.224 1.00 0.48 H new ATOM 0 HG LEU A 51 8.021 13.886 1.501 1.00 0.70 H new ATOM 0 HD11 LEU A 51 8.050 14.092 -0.970 1.00 1.10 H new ATOM 0 HD12 LEU A 51 9.422 13.127 -0.375 1.00 1.10 H new ATOM 0 HD13 LEU A 51 8.017 12.318 -1.109 1.00 1.10 H new ATOM 0 HD21 LEU A 51 5.917 14.103 0.232 1.00 1.22 H new ATOM 0 HD22 LEU A 51 5.808 12.330 0.119 1.00 1.22 H new ATOM 0 HD23 LEU A 51 5.702 13.129 1.706 1.00 1.22 H new ATOM 369 N MET A 52 5.911 10.823 3.740 1.00 0.39 N ATOM 370 CA MET A 52 4.531 10.884 4.212 1.00 0.37 C ATOM 371 C MET A 52 4.468 11.378 5.657 1.00 0.41 C ATOM 372 O MET A 52 3.545 12.095 6.034 1.00 0.47 O ATOM 373 CB MET A 52 3.839 9.514 4.095 1.00 0.33 C ATOM 374 CG MET A 52 4.462 8.423 4.946 1.00 1.29 C ATOM 375 SD MET A 52 3.567 6.860 4.847 1.00 1.25 S ATOM 376 CE MET A 52 3.641 6.520 3.088 1.00 0.31 C ATOM 0 H MET A 52 6.236 9.887 3.498 1.00 0.39 H new ATOM 0 HA MET A 52 4.001 11.593 3.576 1.00 0.37 H new ATOM 0 HB2 MET A 52 2.792 9.624 4.377 1.00 0.33 H new ATOM 0 HB3 MET A 52 3.857 9.199 3.052 1.00 0.33 H new ATOM 0 HG2 MET A 52 5.493 8.266 4.629 1.00 1.29 H new ATOM 0 HG3 MET A 52 4.494 8.753 5.984 1.00 1.29 H new ATOM 0 HE1 MET A 52 2.637 6.566 2.666 1.00 0.31 H new ATOM 0 HE2 MET A 52 4.274 7.262 2.600 1.00 0.31 H new ATOM 0 HE3 MET A 52 4.057 5.526 2.927 1.00 0.31 H new ATOM 386 N SER A 53 5.467 11.013 6.453 1.00 0.40 N ATOM 387 CA SER A 53 5.497 11.388 7.860 1.00 0.47 C ATOM 388 C SER A 53 5.866 12.866 8.038 1.00 0.50 C ATOM 389 O SER A 53 5.804 13.404 9.144 1.00 0.62 O ATOM 390 CB SER A 53 6.486 10.493 8.615 1.00 0.52 C ATOM 391 OG SER A 53 6.438 10.729 10.011 1.00 1.15 O ATOM 0 H SER A 53 6.266 10.458 6.147 1.00 0.40 H new ATOM 0 HA SER A 53 4.498 11.247 8.273 1.00 0.47 H new ATOM 0 HB2 SER A 53 6.258 9.446 8.414 1.00 0.52 H new ATOM 0 HB3 SER A 53 7.496 10.675 8.249 1.00 0.52 H new ATOM 0 HG SER A 53 6.172 11.658 10.177 1.00 1.15 H new ATOM 397 N SER A 54 6.239 13.522 6.946 1.00 0.49 N ATOM 398 CA SER A 54 6.618 14.927 6.996 1.00 0.53 C ATOM 399 C SER A 54 5.463 15.808 6.521 1.00 0.53 C ATOM 400 O SER A 54 5.546 17.037 6.547 1.00 0.53 O ATOM 401 CB SER A 54 7.862 15.159 6.130 1.00 0.60 C ATOM 402 OG SER A 54 8.394 16.461 6.316 1.00 1.30 O ATOM 0 H SER A 54 6.287 13.104 6.017 1.00 0.49 H new ATOM 0 HA SER A 54 6.850 15.196 8.027 1.00 0.53 H new ATOM 0 HB2 SER A 54 8.621 14.417 6.377 1.00 0.60 H new ATOM 0 HB3 SER A 54 7.606 15.017 5.080 1.00 0.60 H new ATOM 0 HG SER A 54 7.666 17.086 6.517 1.00 1.30 H new ATOM 408 N LEU A 55 4.386 15.164 6.091 1.00 0.54 N ATOM 409 CA LEU A 55 3.227 15.870 5.559 1.00 0.57 C ATOM 410 C LEU A 55 2.151 16.068 6.626 1.00 0.65 C ATOM 411 O LEU A 55 1.557 15.099 7.103 1.00 0.65 O ATOM 412 CB LEU A 55 2.636 15.086 4.392 1.00 0.51 C ATOM 413 CG LEU A 55 3.585 14.807 3.231 1.00 0.53 C ATOM 414 CD1 LEU A 55 2.881 13.966 2.184 1.00 0.56 C ATOM 415 CD2 LEU A 55 4.095 16.103 2.619 1.00 0.64 C ATOM 0 H LEU A 55 4.291 14.149 6.100 1.00 0.54 H new ATOM 0 HA LEU A 55 3.562 16.851 5.223 1.00 0.57 H new ATOM 0 HB2 LEU A 55 2.265 14.133 4.770 1.00 0.51 H new ATOM 0 HB3 LEU A 55 1.775 15.634 4.009 1.00 0.51 H new ATOM 0 HG LEU A 55 4.446 14.257 3.611 1.00 0.53 H new ATOM 0 HD11 LEU A 55 3.563 13.769 1.357 1.00 0.56 H new ATOM 0 HD12 LEU A 55 2.566 13.021 2.627 1.00 0.56 H new ATOM 0 HD13 LEU A 55 2.007 14.502 1.814 1.00 0.56 H new ATOM 0 HD21 LEU A 55 4.769 15.875 1.794 1.00 0.64 H new ATOM 0 HD22 LEU A 55 3.252 16.687 2.248 1.00 0.64 H new ATOM 0 HD23 LEU A 55 4.629 16.677 3.376 1.00 0.64 H new ATOM 427 N PRO A 56 1.870 17.327 7.003 1.00 0.81 N ATOM 428 CA PRO A 56 0.818 17.650 7.973 1.00 0.94 C ATOM 429 C PRO A 56 -0.583 17.401 7.414 1.00 0.88 C ATOM 430 O PRO A 56 -1.541 17.206 8.165 1.00 1.19 O ATOM 431 CB PRO A 56 1.014 19.148 8.250 1.00 1.14 C ATOM 432 CG PRO A 56 2.344 19.496 7.669 1.00 1.26 C ATOM 433 CD PRO A 56 2.569 18.533 6.542 1.00 0.98 C ATOM 0 HA PRO A 56 0.893 17.027 8.864 1.00 0.94 H new ATOM 0 HB2 PRO A 56 0.220 19.738 7.792 1.00 1.14 H new ATOM 0 HB3 PRO A 56 0.988 19.355 9.320 1.00 1.14 H new ATOM 0 HG2 PRO A 56 2.356 20.525 7.311 1.00 1.26 H new ATOM 0 HG3 PRO A 56 3.131 19.410 8.418 1.00 1.26 H new ATOM 0 HD2 PRO A 56 2.158 18.905 5.603 1.00 0.98 H new ATOM 0 HD3 PRO A 56 3.630 18.347 6.374 1.00 0.98 H new ATOM 441 N ASN A 57 -0.695 17.400 6.090 1.00 0.63 N ATOM 442 CA ASN A 57 -1.983 17.184 5.433 1.00 0.62 C ATOM 443 C ASN A 57 -2.241 15.698 5.253 1.00 0.57 C ATOM 444 O ASN A 57 -3.382 15.270 5.077 1.00 0.59 O ATOM 445 CB ASN A 57 -2.038 17.883 4.071 1.00 0.68 C ATOM 446 CG ASN A 57 -2.014 19.394 4.180 1.00 1.32 C ATOM 447 OD1 ASN A 57 -3.054 20.033 4.319 1.00 2.22 O ATOM 448 ND2 ASN A 57 -0.829 19.977 4.101 1.00 1.73 N ATOM 0 H ASN A 57 0.086 17.546 5.451 1.00 0.63 H new ATOM 0 HA ASN A 57 -2.756 17.612 6.072 1.00 0.62 H new ATOM 0 HB2 ASN A 57 -1.193 17.554 3.466 1.00 0.68 H new ATOM 0 HB3 ASN A 57 -2.944 17.576 3.548 1.00 0.68 H new ATOM 0 HD21 ASN A 57 -0.756 20.993 4.155 1.00 1.73 H new ATOM 0 HD22 ASN A 57 0.011 19.411 3.986 1.00 1.73 H new ATOM 455 N PHE A 58 -1.170 14.917 5.302 1.00 0.62 N ATOM 456 CA PHE A 58 -1.272 13.479 5.118 1.00 0.70 C ATOM 457 C PHE A 58 -2.108 12.849 6.225 1.00 0.90 C ATOM 458 O PHE A 58 -2.895 11.944 5.967 1.00 1.77 O ATOM 459 CB PHE A 58 0.112 12.841 5.055 1.00 0.69 C ATOM 460 CG PHE A 58 0.083 11.364 4.810 1.00 0.65 C ATOM 461 CD1 PHE A 58 0.836 10.512 5.592 1.00 0.89 C ATOM 462 CD2 PHE A 58 -0.694 10.825 3.799 1.00 1.13 C ATOM 463 CE1 PHE A 58 0.816 9.153 5.372 1.00 0.90 C ATOM 464 CE2 PHE A 58 -0.717 9.463 3.577 1.00 1.15 C ATOM 465 CZ PHE A 58 0.040 8.626 4.365 1.00 0.69 C ATOM 0 H PHE A 58 -0.222 15.256 5.468 1.00 0.62 H new ATOM 0 HA PHE A 58 -1.774 13.295 4.168 1.00 0.70 H new ATOM 0 HB2 PHE A 58 0.688 13.320 4.263 1.00 0.69 H new ATOM 0 HB3 PHE A 58 0.635 13.035 5.992 1.00 0.69 H new ATOM 0 HD1 PHE A 58 1.448 10.916 6.385 1.00 0.89 H new ATOM 0 HD2 PHE A 58 -1.289 11.478 3.177 1.00 1.13 H new ATOM 0 HE1 PHE A 58 1.411 8.499 5.992 1.00 0.90 H new ATOM 0 HE2 PHE A 58 -1.328 9.054 2.786 1.00 1.15 H new ATOM 0 HZ PHE A 58 0.025 7.560 4.194 1.00 0.69 H new ATOM 475 N SER A 59 -1.917 13.308 7.460 1.00 0.91 N ATOM 476 CA SER A 59 -2.799 12.931 8.564 1.00 1.02 C ATOM 477 C SER A 59 -4.217 13.481 8.352 1.00 1.10 C ATOM 478 O SER A 59 -4.706 14.310 9.122 1.00 1.84 O ATOM 479 CB SER A 59 -2.222 13.442 9.884 1.00 1.21 C ATOM 480 OG SER A 59 -0.887 12.991 10.060 1.00 1.84 O ATOM 0 H SER A 59 -1.161 13.941 7.722 1.00 0.91 H new ATOM 0 HA SER A 59 -2.864 11.843 8.598 1.00 1.02 H new ATOM 0 HB2 SER A 59 -2.247 14.532 9.899 1.00 1.21 H new ATOM 0 HB3 SER A 59 -2.839 13.097 10.713 1.00 1.21 H new ATOM 0 HG SER A 59 -0.536 13.331 10.910 1.00 1.84 H new ATOM 486 N GLY A 60 -4.846 13.026 7.282 1.00 0.91 N ATOM 487 CA GLY A 60 -6.195 13.421 6.949 1.00 0.87 C ATOM 488 C GLY A 60 -6.641 12.746 5.671 1.00 0.66 C ATOM 489 O GLY A 60 -7.822 12.453 5.483 1.00 0.73 O ATOM 0 H GLY A 60 -4.430 12.370 6.621 1.00 0.91 H new ATOM 0 HA2 GLY A 60 -6.870 13.156 7.763 1.00 0.87 H new ATOM 0 HA3 GLY A 60 -6.246 14.504 6.833 1.00 0.87 H new ATOM 493 N ILE A 61 -5.679 12.498 4.791 1.00 0.50 N ATOM 494 CA ILE A 61 -5.925 11.753 3.567 1.00 0.54 C ATOM 495 C ILE A 61 -5.311 10.365 3.689 1.00 0.73 C ATOM 496 O ILE A 61 -4.380 10.174 4.471 1.00 1.81 O ATOM 497 CB ILE A 61 -5.316 12.455 2.325 1.00 0.58 C ATOM 498 CG1 ILE A 61 -3.780 12.435 2.392 1.00 0.64 C ATOM 499 CG2 ILE A 61 -5.832 13.885 2.214 1.00 0.79 C ATOM 500 CD1 ILE A 61 -3.095 13.098 1.217 1.00 0.78 C ATOM 0 H ILE A 61 -4.713 12.806 4.906 1.00 0.50 H new ATOM 0 HA ILE A 61 -7.005 11.693 3.431 1.00 0.54 H new ATOM 0 HB ILE A 61 -5.625 11.909 1.434 1.00 0.58 H new ATOM 0 HG12 ILE A 61 -3.462 12.930 3.309 1.00 0.64 H new ATOM 0 HG13 ILE A 61 -3.445 11.400 2.456 1.00 0.64 H new ATOM 0 HG21 ILE A 61 -5.395 14.363 1.337 1.00 0.79 H new ATOM 0 HG22 ILE A 61 -6.918 13.874 2.117 1.00 0.79 H new ATOM 0 HG23 ILE A 61 -5.553 14.443 3.108 1.00 0.79 H new ATOM 0 HD11 ILE A 61 -2.014 13.039 1.345 1.00 0.78 H new ATOM 0 HD12 ILE A 61 -3.380 12.590 0.296 1.00 0.78 H new ATOM 0 HD13 ILE A 61 -3.397 14.144 1.162 1.00 0.78 H new ATOM 512 N PHE A 62 -5.846 9.407 2.942 1.00 0.58 N ATOM 513 CA PHE A 62 -5.233 8.083 2.808 1.00 0.50 C ATOM 514 C PHE A 62 -5.165 7.350 4.147 1.00 0.51 C ATOM 515 O PHE A 62 -4.180 7.461 4.878 1.00 0.76 O ATOM 516 CB PHE A 62 -3.816 8.194 2.237 1.00 0.50 C ATOM 517 CG PHE A 62 -3.687 8.947 0.939 1.00 0.48 C ATOM 518 CD1 PHE A 62 -4.799 9.366 0.225 1.00 0.48 C ATOM 519 CD2 PHE A 62 -2.431 9.246 0.442 1.00 0.63 C ATOM 520 CE1 PHE A 62 -4.657 10.068 -0.948 1.00 0.53 C ATOM 521 CE2 PHE A 62 -2.284 9.943 -0.734 1.00 0.68 C ATOM 522 CZ PHE A 62 -3.396 10.357 -1.427 1.00 0.59 C ATOM 0 H PHE A 62 -6.711 9.520 2.414 1.00 0.58 H new ATOM 0 HA PHE A 62 -5.865 7.514 2.126 1.00 0.50 H new ATOM 0 HB2 PHE A 62 -3.183 8.678 2.980 1.00 0.50 H new ATOM 0 HB3 PHE A 62 -3.424 7.187 2.091 1.00 0.50 H new ATOM 0 HD1 PHE A 62 -5.788 9.138 0.595 1.00 0.48 H new ATOM 0 HD2 PHE A 62 -1.554 8.927 0.985 1.00 0.63 H new ATOM 0 HE1 PHE A 62 -5.531 10.393 -1.494 1.00 0.53 H new ATOM 0 HE2 PHE A 62 -1.297 10.165 -1.112 1.00 0.68 H new ATOM 0 HZ PHE A 62 -3.283 10.909 -2.348 1.00 0.59 H new ATOM 532 N THR A 63 -6.188 6.576 4.449 1.00 0.34 N ATOM 533 CA THR A 63 -6.230 5.845 5.704 1.00 0.38 C ATOM 534 C THR A 63 -5.370 4.580 5.642 1.00 0.30 C ATOM 535 O THR A 63 -4.592 4.297 6.552 1.00 0.38 O ATOM 536 CB THR A 63 -7.680 5.468 6.065 1.00 0.48 C ATOM 537 OG1 THR A 63 -8.483 6.656 6.128 1.00 0.78 O ATOM 538 CG2 THR A 63 -7.745 4.736 7.398 1.00 0.66 C ATOM 0 H THR A 63 -6.999 6.436 3.847 1.00 0.34 H new ATOM 0 HA THR A 63 -5.826 6.500 6.476 1.00 0.38 H new ATOM 0 HB THR A 63 -8.062 4.801 5.292 1.00 0.48 H new ATOM 0 HG1 THR A 63 -9.405 6.416 6.356 1.00 0.78 H new ATOM 0 HG21 THR A 63 -8.781 4.484 7.624 1.00 0.66 H new ATOM 0 HG22 THR A 63 -7.153 3.822 7.341 1.00 0.66 H new ATOM 0 HG23 THR A 63 -7.347 5.377 8.185 1.00 0.66 H new ATOM 546 N HIS A 64 -5.495 3.834 4.551 1.00 0.26 N ATOM 547 CA HIS A 64 -4.854 2.522 4.453 1.00 0.25 C ATOM 548 C HIS A 64 -3.467 2.597 3.837 1.00 0.25 C ATOM 549 O HIS A 64 -2.676 1.668 3.972 1.00 0.54 O ATOM 550 CB HIS A 64 -5.727 1.555 3.662 1.00 0.33 C ATOM 551 CG HIS A 64 -6.886 1.045 4.453 1.00 0.43 C ATOM 552 ND1 HIS A 64 -7.353 -0.243 4.363 1.00 0.86 N ATOM 553 CD2 HIS A 64 -7.661 1.663 5.370 1.00 0.71 C ATOM 554 CE1 HIS A 64 -8.367 -0.394 5.194 1.00 0.83 C ATOM 555 NE2 HIS A 64 -8.576 0.746 5.819 1.00 0.68 N ATOM 0 H HIS A 64 -6.029 4.109 3.727 1.00 0.26 H new ATOM 0 HA HIS A 64 -4.738 2.152 5.472 1.00 0.25 H new ATOM 0 HB2 HIS A 64 -6.096 2.055 2.766 1.00 0.33 H new ATOM 0 HB3 HIS A 64 -5.120 0.713 3.330 1.00 0.33 H new ATOM 0 HD1 HIS A 64 -6.976 -0.967 3.752 1.00 0.86 H new ATOM 0 HD2 HIS A 64 -7.576 2.691 5.691 1.00 0.71 H new ATOM 0 HE1 HIS A 64 -8.932 -1.303 5.338 1.00 0.83 H new ATOM 564 N LEU A 65 -3.172 3.708 3.188 1.00 0.32 N ATOM 565 CA LEU A 65 -1.907 3.878 2.480 1.00 0.22 C ATOM 566 C LEU A 65 -0.733 3.780 3.448 1.00 0.20 C ATOM 567 O LEU A 65 0.250 3.089 3.186 1.00 0.24 O ATOM 568 CB LEU A 65 -1.880 5.237 1.768 1.00 0.29 C ATOM 569 CG LEU A 65 -2.707 5.353 0.473 1.00 0.36 C ATOM 570 CD1 LEU A 65 -2.176 4.416 -0.590 1.00 0.84 C ATOM 571 CD2 LEU A 65 -4.177 5.066 0.719 1.00 0.99 C ATOM 0 H LEU A 65 -3.794 4.515 3.134 1.00 0.32 H new ATOM 0 HA LEU A 65 -1.818 3.083 1.740 1.00 0.22 H new ATOM 0 HB2 LEU A 65 -2.233 5.995 2.467 1.00 0.29 H new ATOM 0 HB3 LEU A 65 -0.843 5.478 1.533 1.00 0.29 H new ATOM 0 HG LEU A 65 -2.613 6.381 0.124 1.00 0.36 H new ATOM 0 HD11 LEU A 65 -2.775 4.515 -1.495 1.00 0.84 H new ATOM 0 HD12 LEU A 65 -1.139 4.668 -0.812 1.00 0.84 H new ATOM 0 HD13 LEU A 65 -2.231 3.389 -0.230 1.00 0.84 H new ATOM 0 HD21 LEU A 65 -4.727 5.158 -0.217 1.00 0.99 H new ATOM 0 HD22 LEU A 65 -4.290 4.054 1.109 1.00 0.99 H new ATOM 0 HD23 LEU A 65 -4.571 5.780 1.443 1.00 0.99 H new ATOM 583 N GLU A 66 -0.863 4.474 4.571 1.00 0.30 N ATOM 584 CA GLU A 66 0.173 4.520 5.596 1.00 0.40 C ATOM 585 C GLU A 66 0.538 3.107 6.069 1.00 0.38 C ATOM 586 O GLU A 66 1.706 2.718 6.050 1.00 0.38 O ATOM 587 CB GLU A 66 -0.344 5.381 6.757 1.00 0.53 C ATOM 588 CG GLU A 66 0.735 6.028 7.616 1.00 0.88 C ATOM 589 CD GLU A 66 1.324 5.097 8.652 1.00 1.12 C ATOM 590 OE1 GLU A 66 0.548 4.411 9.351 1.00 1.75 O ATOM 591 OE2 GLU A 66 2.561 5.080 8.803 1.00 1.75 O ATOM 0 H GLU A 66 -1.692 5.023 4.798 1.00 0.30 H new ATOM 0 HA GLU A 66 1.083 4.961 5.189 1.00 0.40 H new ATOM 0 HB2 GLU A 66 -0.981 6.166 6.350 1.00 0.53 H new ATOM 0 HB3 GLU A 66 -0.972 4.761 7.397 1.00 0.53 H new ATOM 0 HG2 GLU A 66 1.534 6.390 6.969 1.00 0.88 H new ATOM 0 HG3 GLU A 66 0.314 6.898 8.119 1.00 0.88 H new ATOM 598 N ARG A 67 -0.473 2.340 6.468 1.00 0.42 N ATOM 599 CA ARG A 67 -0.253 0.984 6.970 1.00 0.44 C ATOM 600 C ARG A 67 0.311 0.064 5.890 1.00 0.39 C ATOM 601 O ARG A 67 1.126 -0.813 6.181 1.00 0.40 O ATOM 602 CB ARG A 67 -1.547 0.384 7.517 1.00 0.54 C ATOM 603 CG ARG A 67 -1.309 -0.724 8.530 1.00 0.74 C ATOM 604 CD ARG A 67 -2.587 -1.474 8.865 1.00 0.86 C ATOM 605 NE ARG A 67 -2.862 -2.542 7.905 1.00 1.08 N ATOM 606 CZ ARG A 67 -3.922 -3.341 7.962 1.00 1.45 C ATOM 607 NH1 ARG A 67 -4.853 -3.157 8.893 1.00 1.71 N ATOM 608 NH2 ARG A 67 -4.049 -4.325 7.083 1.00 2.07 N ATOM 0 H ARG A 67 -1.450 2.632 6.454 1.00 0.42 H new ATOM 0 HA ARG A 67 0.477 1.063 7.775 1.00 0.44 H new ATOM 0 HB2 ARG A 67 -2.138 1.173 7.982 1.00 0.54 H new ATOM 0 HB3 ARG A 67 -2.137 -0.009 6.689 1.00 0.54 H new ATOM 0 HG2 ARG A 67 -0.571 -1.423 8.136 1.00 0.74 H new ATOM 0 HG3 ARG A 67 -0.889 -0.298 9.441 1.00 0.74 H new ATOM 0 HD2 ARG A 67 -2.507 -1.898 9.866 1.00 0.86 H new ATOM 0 HD3 ARG A 67 -3.424 -0.776 8.880 1.00 0.86 H new ATOM 0 HE ARG A 67 -2.198 -2.683 7.143 1.00 1.08 H new ATOM 0 HH11 ARG A 67 -4.756 -2.399 9.569 1.00 1.71 H new ATOM 0 HH12 ARG A 67 -5.665 -3.774 8.932 1.00 1.71 H new ATOM 0 HH21 ARG A 67 -3.335 -4.465 6.368 1.00 2.07 H new ATOM 0 HH22 ARG A 67 -4.860 -4.942 7.122 1.00 2.07 H new ATOM 622 N LEU A 68 -0.109 0.274 4.644 1.00 0.35 N ATOM 623 CA LEU A 68 0.327 -0.578 3.537 1.00 0.34 C ATOM 624 C LEU A 68 1.838 -0.497 3.312 1.00 0.31 C ATOM 625 O LEU A 68 2.428 -1.390 2.709 1.00 0.40 O ATOM 626 CB LEU A 68 -0.429 -0.230 2.248 1.00 0.33 C ATOM 627 CG LEU A 68 -1.863 -0.767 2.164 1.00 0.41 C ATOM 628 CD1 LEU A 68 -2.485 -0.423 0.818 1.00 0.37 C ATOM 629 CD2 LEU A 68 -1.891 -2.272 2.390 1.00 0.61 C ATOM 0 H LEU A 68 -0.748 1.023 4.375 1.00 0.35 H new ATOM 0 HA LEU A 68 0.092 -1.606 3.812 1.00 0.34 H new ATOM 0 HB2 LEU A 68 -0.458 0.855 2.145 1.00 0.33 H new ATOM 0 HB3 LEU A 68 0.136 -0.616 1.399 1.00 0.33 H new ATOM 0 HG LEU A 68 -2.449 -0.291 2.950 1.00 0.41 H new ATOM 0 HD11 LEU A 68 -3.502 -0.812 0.777 1.00 0.37 H new ATOM 0 HD12 LEU A 68 -2.505 0.660 0.693 1.00 0.37 H new ATOM 0 HD13 LEU A 68 -1.893 -0.870 0.019 1.00 0.37 H new ATOM 0 HD21 LEU A 68 -2.918 -2.631 2.326 1.00 0.61 H new ATOM 0 HD22 LEU A 68 -1.286 -2.765 1.629 1.00 0.61 H new ATOM 0 HD23 LEU A 68 -1.488 -2.499 3.377 1.00 0.61 H new ATOM 641 N LEU A 69 2.469 0.544 3.835 1.00 0.27 N ATOM 642 CA LEU A 69 3.922 0.649 3.756 1.00 0.24 C ATOM 643 C LEU A 69 4.542 -0.162 4.888 1.00 0.25 C ATOM 644 O LEU A 69 5.490 -0.939 4.695 1.00 0.26 O ATOM 645 CB LEU A 69 4.403 2.109 3.841 1.00 0.25 C ATOM 646 CG LEU A 69 4.433 2.901 2.523 1.00 0.23 C ATOM 647 CD1 LEU A 69 5.821 3.458 2.272 1.00 0.25 C ATOM 648 CD2 LEU A 69 3.997 2.046 1.346 1.00 0.30 C ATOM 0 H LEU A 69 2.008 1.319 4.312 1.00 0.27 H new ATOM 0 HA LEU A 69 4.236 0.258 2.788 1.00 0.24 H new ATOM 0 HB2 LEU A 69 3.760 2.640 4.543 1.00 0.25 H new ATOM 0 HB3 LEU A 69 5.408 2.113 4.264 1.00 0.25 H new ATOM 0 HG LEU A 69 3.727 3.726 2.620 1.00 0.23 H new ATOM 0 HD11 LEU A 69 5.825 4.016 1.336 1.00 0.25 H new ATOM 0 HD12 LEU A 69 6.100 4.121 3.091 1.00 0.25 H new ATOM 0 HD13 LEU A 69 6.536 2.638 2.209 1.00 0.25 H new ATOM 0 HD21 LEU A 69 4.031 2.640 0.433 1.00 0.30 H new ATOM 0 HD22 LEU A 69 4.667 1.192 1.249 1.00 0.30 H new ATOM 0 HD23 LEU A 69 2.979 1.692 1.511 1.00 0.30 H new ATOM 660 N ASP A 70 3.939 -0.061 6.062 1.00 0.29 N ATOM 661 CA ASP A 70 4.508 -0.697 7.231 1.00 0.35 C ATOM 662 C ASP A 70 4.416 -2.195 7.085 1.00 0.38 C ATOM 663 O ASP A 70 5.239 -2.929 7.627 1.00 0.43 O ATOM 664 CB ASP A 70 3.826 -0.260 8.524 1.00 0.43 C ATOM 665 CG ASP A 70 4.525 0.912 9.178 1.00 0.91 C ATOM 666 OD1 ASP A 70 5.775 0.916 9.227 1.00 1.62 O ATOM 667 OD2 ASP A 70 3.832 1.820 9.673 1.00 1.56 O ATOM 0 H ASP A 70 3.070 0.447 6.226 1.00 0.29 H new ATOM 0 HA ASP A 70 5.551 -0.387 7.297 1.00 0.35 H new ATOM 0 HB2 ASP A 70 2.791 0.010 8.312 1.00 0.43 H new ATOM 0 HB3 ASP A 70 3.801 -1.099 9.220 1.00 0.43 H new ATOM 672 N GLU A 71 3.415 -2.658 6.345 1.00 0.42 N ATOM 673 CA GLU A 71 3.304 -4.063 6.039 1.00 0.50 C ATOM 674 C GLU A 71 4.223 -4.439 4.881 1.00 0.45 C ATOM 675 O GLU A 71 5.058 -5.314 5.037 1.00 0.48 O ATOM 676 CB GLU A 71 1.852 -4.428 5.716 1.00 0.61 C ATOM 677 CG GLU A 71 0.885 -4.082 6.839 1.00 0.94 C ATOM 678 CD GLU A 71 -0.522 -4.590 6.592 1.00 1.47 C ATOM 679 OE1 GLU A 71 -1.349 -3.833 6.045 1.00 2.14 O ATOM 680 OE2 GLU A 71 -0.809 -5.748 6.963 1.00 2.18 O ATOM 0 H GLU A 71 2.675 -2.076 5.951 1.00 0.42 H new ATOM 0 HA GLU A 71 3.615 -4.630 6.917 1.00 0.50 H new ATOM 0 HB2 GLU A 71 1.546 -3.908 4.808 1.00 0.61 H new ATOM 0 HB3 GLU A 71 1.790 -5.496 5.507 1.00 0.61 H new ATOM 0 HG2 GLU A 71 1.258 -4.502 7.773 1.00 0.94 H new ATOM 0 HG3 GLU A 71 0.857 -3.000 6.965 1.00 0.94 H new ATOM 687 N GLU A 72 4.112 -3.740 3.741 1.00 0.43 N ATOM 688 CA GLU A 72 4.862 -4.123 2.534 1.00 0.45 C ATOM 689 C GLU A 72 6.362 -3.935 2.738 1.00 0.42 C ATOM 690 O GLU A 72 7.158 -4.797 2.382 1.00 0.47 O ATOM 691 CB GLU A 72 4.409 -3.322 1.309 1.00 0.46 C ATOM 692 CG GLU A 72 5.127 -3.733 0.029 1.00 0.57 C ATOM 693 CD GLU A 72 4.761 -5.136 -0.426 1.00 0.91 C ATOM 694 OE1 GLU A 72 5.164 -6.107 0.249 1.00 1.69 O ATOM 695 OE2 GLU A 72 4.083 -5.270 -1.466 1.00 1.33 O ATOM 0 H GLU A 72 3.519 -2.918 3.629 1.00 0.43 H new ATOM 0 HA GLU A 72 4.655 -5.178 2.354 1.00 0.45 H new ATOM 0 HB2 GLU A 72 3.335 -3.451 1.174 1.00 0.46 H new ATOM 0 HB3 GLU A 72 4.582 -2.261 1.491 1.00 0.46 H new ATOM 0 HG2 GLU A 72 4.884 -3.024 -0.762 1.00 0.57 H new ATOM 0 HG3 GLU A 72 6.204 -3.677 0.188 1.00 0.57 H new ATOM 702 N ILE A 73 6.730 -2.823 3.358 1.00 0.35 N ATOM 703 CA ILE A 73 8.126 -2.560 3.671 1.00 0.34 C ATOM 704 C ILE A 73 8.629 -3.672 4.561 1.00 0.40 C ATOM 705 O ILE A 73 9.742 -4.170 4.406 1.00 0.45 O ATOM 706 CB ILE A 73 8.324 -1.199 4.377 1.00 0.29 C ATOM 707 CG1 ILE A 73 8.123 -0.057 3.385 1.00 0.27 C ATOM 708 CG2 ILE A 73 9.699 -1.109 5.027 1.00 0.33 C ATOM 709 CD1 ILE A 73 8.229 1.313 4.010 1.00 0.27 C ATOM 0 H ILE A 73 6.084 -2.091 3.653 1.00 0.35 H new ATOM 0 HA ILE A 73 8.687 -2.519 2.737 1.00 0.34 H new ATOM 0 HB ILE A 73 7.578 -1.114 5.167 1.00 0.29 H new ATOM 0 HG12 ILE A 73 8.864 -0.143 2.590 1.00 0.27 H new ATOM 0 HG13 ILE A 73 7.143 -0.160 2.919 1.00 0.27 H new ATOM 0 HG21 ILE A 73 9.808 -0.141 5.515 1.00 0.33 H new ATOM 0 HG22 ILE A 73 9.804 -1.902 5.767 1.00 0.33 H new ATOM 0 HG23 ILE A 73 10.470 -1.220 4.264 1.00 0.33 H new ATOM 0 HD11 ILE A 73 8.075 2.075 3.245 1.00 0.27 H new ATOM 0 HD12 ILE A 73 7.470 1.419 4.785 1.00 0.27 H new ATOM 0 HD13 ILE A 73 9.218 1.436 4.451 1.00 0.27 H new ATOM 721 N SER A 74 7.764 -4.091 5.468 1.00 0.41 N ATOM 722 CA SER A 74 8.095 -5.188 6.371 1.00 0.49 C ATOM 723 C SER A 74 8.223 -6.524 5.618 1.00 0.54 C ATOM 724 O SER A 74 9.070 -7.355 5.962 1.00 0.60 O ATOM 725 CB SER A 74 7.053 -5.309 7.483 1.00 0.52 C ATOM 726 OG SER A 74 7.410 -6.313 8.416 1.00 1.34 O ATOM 0 H SER A 74 6.834 -3.695 5.601 1.00 0.41 H new ATOM 0 HA SER A 74 9.063 -4.959 6.818 1.00 0.49 H new ATOM 0 HB2 SER A 74 6.952 -4.352 7.996 1.00 0.52 H new ATOM 0 HB3 SER A 74 6.081 -5.542 7.049 1.00 0.52 H new ATOM 0 HG SER A 74 6.726 -6.367 9.116 1.00 1.34 H new ATOM 732 N ARG A 75 7.387 -6.731 4.598 1.00 0.55 N ATOM 733 CA ARG A 75 7.433 -7.967 3.808 1.00 0.63 C ATOM 734 C ARG A 75 8.726 -8.008 3.036 1.00 0.65 C ATOM 735 O ARG A 75 9.500 -8.960 3.124 1.00 0.72 O ATOM 736 CB ARG A 75 6.315 -8.046 2.769 1.00 0.74 C ATOM 737 CG ARG A 75 4.982 -7.476 3.186 1.00 0.76 C ATOM 738 CD ARG A 75 4.145 -8.455 3.993 1.00 1.25 C ATOM 739 NE ARG A 75 4.610 -8.578 5.373 1.00 1.84 N ATOM 740 CZ ARG A 75 3.833 -8.387 6.438 1.00 2.73 C ATOM 741 NH1 ARG A 75 2.557 -8.052 6.285 1.00 3.05 N ATOM 742 NH2 ARG A 75 4.331 -8.531 7.657 1.00 3.67 N ATOM 0 H ARG A 75 6.674 -6.065 4.300 1.00 0.55 H new ATOM 0 HA ARG A 75 7.330 -8.791 4.514 1.00 0.63 H new ATOM 0 HB2 ARG A 75 6.645 -7.526 1.870 1.00 0.74 H new ATOM 0 HB3 ARG A 75 6.172 -9.092 2.498 1.00 0.74 H new ATOM 0 HG2 ARG A 75 5.147 -6.575 3.776 1.00 0.76 H new ATOM 0 HG3 ARG A 75 4.426 -7.178 2.297 1.00 0.76 H new ATOM 0 HD2 ARG A 75 3.105 -8.128 3.990 1.00 1.25 H new ATOM 0 HD3 ARG A 75 4.173 -9.434 3.514 1.00 1.25 H new ATOM 0 HE ARG A 75 5.587 -8.825 5.530 1.00 1.84 H new ATOM 0 HH11 ARG A 75 2.168 -7.940 5.349 1.00 3.05 H new ATOM 0 HH12 ARG A 75 1.966 -7.907 7.104 1.00 3.05 H new ATOM 0 HH21 ARG A 75 5.310 -8.788 7.781 1.00 3.67 H new ATOM 0 HH22 ARG A 75 3.735 -8.385 8.472 1.00 3.67 H new ATOM 756 N VAL A 76 8.952 -6.925 2.309 1.00 0.62 N ATOM 757 CA VAL A 76 10.064 -6.800 1.377 1.00 0.67 C ATOM 758 C VAL A 76 11.414 -7.006 2.067 1.00 0.71 C ATOM 759 O VAL A 76 12.341 -7.559 1.480 1.00 0.84 O ATOM 760 CB VAL A 76 10.022 -5.403 0.709 1.00 0.61 C ATOM 761 CG1 VAL A 76 11.255 -5.143 -0.132 1.00 0.64 C ATOM 762 CG2 VAL A 76 8.770 -5.251 -0.139 1.00 0.58 C ATOM 0 H VAL A 76 8.360 -6.095 2.350 1.00 0.62 H new ATOM 0 HA VAL A 76 9.959 -7.579 0.622 1.00 0.67 H new ATOM 0 HB VAL A 76 10.002 -4.663 1.509 1.00 0.61 H new ATOM 0 HG11 VAL A 76 11.186 -4.153 -0.583 1.00 0.64 H new ATOM 0 HG12 VAL A 76 12.143 -5.194 0.498 1.00 0.64 H new ATOM 0 HG13 VAL A 76 11.325 -5.895 -0.918 1.00 0.64 H new ATOM 0 HG21 VAL A 76 8.760 -4.263 -0.599 1.00 0.58 H new ATOM 0 HG22 VAL A 76 8.763 -6.014 -0.917 1.00 0.58 H new ATOM 0 HG23 VAL A 76 7.888 -5.367 0.491 1.00 0.58 H new ATOM 772 N ARG A 77 11.509 -6.590 3.324 1.00 0.65 N ATOM 773 CA ARG A 77 12.768 -6.678 4.059 1.00 0.73 C ATOM 774 C ARG A 77 13.107 -8.126 4.395 1.00 0.86 C ATOM 775 O ARG A 77 14.254 -8.549 4.270 1.00 0.98 O ATOM 776 CB ARG A 77 12.717 -5.847 5.343 1.00 0.75 C ATOM 777 CG ARG A 77 12.633 -4.350 5.097 1.00 0.81 C ATOM 778 CD ARG A 77 12.660 -3.561 6.398 1.00 0.84 C ATOM 779 NE ARG A 77 11.580 -3.939 7.312 1.00 1.39 N ATOM 780 CZ ARG A 77 11.014 -3.099 8.181 1.00 1.71 C ATOM 781 NH1 ARG A 77 11.397 -1.828 8.225 1.00 1.45 N ATOM 782 NH2 ARG A 77 10.064 -3.530 9.003 1.00 2.73 N ATOM 0 H ARG A 77 10.735 -6.190 3.855 1.00 0.65 H new ATOM 0 HA ARG A 77 13.549 -6.276 3.414 1.00 0.73 H new ATOM 0 HB2 ARG A 77 11.855 -6.158 5.933 1.00 0.75 H new ATOM 0 HB3 ARG A 77 13.605 -6.059 5.939 1.00 0.75 H new ATOM 0 HG2 ARG A 77 13.465 -4.038 4.466 1.00 0.81 H new ATOM 0 HG3 ARG A 77 11.717 -4.122 4.553 1.00 0.81 H new ATOM 0 HD2 ARG A 77 13.619 -3.716 6.892 1.00 0.84 H new ATOM 0 HD3 ARG A 77 12.585 -2.497 6.174 1.00 0.84 H new ATOM 0 HE ARG A 77 11.241 -4.900 7.283 1.00 1.39 H new ATOM 0 HH11 ARG A 77 12.125 -1.493 7.594 1.00 1.45 H new ATOM 0 HH12 ARG A 77 10.963 -1.187 8.890 1.00 1.45 H new ATOM 0 HH21 ARG A 77 9.766 -4.505 8.971 1.00 2.73 H new ATOM 0 HH22 ARG A 77 9.633 -2.886 9.666 1.00 2.73 H new ATOM 796 N LYS A 78 12.105 -8.884 4.813 1.00 0.90 N ATOM 797 CA LYS A 78 12.315 -10.256 5.218 1.00 1.08 C ATOM 798 C LYS A 78 12.338 -11.184 4.005 1.00 1.11 C ATOM 799 O LYS A 78 13.138 -12.118 3.946 1.00 1.32 O ATOM 800 CB LYS A 78 11.238 -10.652 6.245 1.00 1.13 C ATOM 801 CG LYS A 78 10.954 -12.140 6.328 1.00 1.35 C ATOM 802 CD LYS A 78 9.901 -12.535 5.314 1.00 2.01 C ATOM 803 CE LYS A 78 8.498 -12.289 5.835 1.00 2.67 C ATOM 804 NZ LYS A 78 7.469 -12.751 4.871 1.00 3.44 N ATOM 0 H LYS A 78 11.138 -8.567 4.879 1.00 0.90 H new ATOM 0 HA LYS A 78 13.289 -10.355 5.696 1.00 1.08 H new ATOM 0 HB2 LYS A 78 11.548 -10.300 7.229 1.00 1.13 H new ATOM 0 HB3 LYS A 78 10.312 -10.133 5.998 1.00 1.13 H new ATOM 0 HG2 LYS A 78 11.870 -12.702 6.148 1.00 1.35 H new ATOM 0 HG3 LYS A 78 10.615 -12.396 7.332 1.00 1.35 H new ATOM 0 HD2 LYS A 78 10.052 -11.970 4.394 1.00 2.01 H new ATOM 0 HD3 LYS A 78 10.016 -13.589 5.062 1.00 2.01 H new ATOM 0 HE2 LYS A 78 8.366 -12.807 6.785 1.00 2.67 H new ATOM 0 HE3 LYS A 78 8.363 -11.225 6.030 1.00 2.67 H new ATOM 0 HZ1 LYS A 78 6.522 -12.537 5.244 1.00 3.44 H new ATOM 0 HZ2 LYS A 78 7.601 -12.264 3.962 1.00 3.44 H new ATOM 0 HZ3 LYS A 78 7.561 -13.777 4.730 1.00 3.44 H new ATOM 818 N ASP A 79 11.462 -10.921 3.036 1.00 1.01 N ATOM 819 CA ASP A 79 11.373 -11.732 1.830 1.00 1.19 C ATOM 820 C ASP A 79 12.532 -11.485 0.866 1.00 1.41 C ATOM 821 O ASP A 79 12.518 -11.987 -0.260 1.00 1.67 O ATOM 822 CB ASP A 79 10.042 -11.461 1.126 1.00 1.23 C ATOM 823 CG ASP A 79 8.898 -12.300 1.671 1.00 1.58 C ATOM 824 OD1 ASP A 79 8.785 -13.487 1.294 1.00 2.21 O ATOM 825 OD2 ASP A 79 8.090 -11.778 2.475 1.00 1.94 O ATOM 0 H ASP A 79 10.800 -10.145 3.067 1.00 1.01 H new ATOM 0 HA ASP A 79 11.431 -12.776 2.137 1.00 1.19 H new ATOM 0 HB2 ASP A 79 9.792 -10.405 1.229 1.00 1.23 H new ATOM 0 HB3 ASP A 79 10.155 -11.659 0.060 1.00 1.23 H new ATOM 830 N MET A 80 13.527 -10.712 1.295 1.00 1.50 N ATOM 831 CA MET A 80 14.733 -10.514 0.497 1.00 1.83 C ATOM 832 C MET A 80 15.403 -11.850 0.205 1.00 2.15 C ATOM 833 O MET A 80 15.469 -12.728 1.067 1.00 2.62 O ATOM 834 CB MET A 80 15.717 -9.578 1.203 1.00 2.04 C ATOM 835 CG MET A 80 15.342 -8.109 1.099 1.00 1.57 C ATOM 836 SD MET A 80 15.344 -7.517 -0.605 1.00 1.42 S ATOM 837 CE MET A 80 14.781 -5.834 -0.376 1.00 0.99 C ATOM 0 H MET A 80 13.522 -10.215 2.186 1.00 1.50 H new ATOM 0 HA MET A 80 14.437 -10.051 -0.444 1.00 1.83 H new ATOM 0 HB2 MET A 80 15.777 -9.855 2.255 1.00 2.04 H new ATOM 0 HB3 MET A 80 16.710 -9.722 0.778 1.00 2.04 H new ATOM 0 HG2 MET A 80 14.353 -7.958 1.532 1.00 1.57 H new ATOM 0 HG3 MET A 80 16.042 -7.516 1.688 1.00 1.57 H new ATOM 0 HE1 MET A 80 14.023 -5.599 -1.123 1.00 0.99 H new ATOM 0 HE2 MET A 80 14.354 -5.726 0.621 1.00 0.99 H new ATOM 0 HE3 MET A 80 15.623 -5.151 -0.486 1.00 0.99 H new ATOM 847 N TYR A 81 15.887 -12.003 -1.014 1.00 2.56 N ATOM 848 CA TYR A 81 16.464 -13.261 -1.454 1.00 3.12 C ATOM 849 C TYR A 81 17.939 -13.335 -1.091 1.00 3.69 C ATOM 850 O TYR A 81 18.271 -13.999 -0.090 1.00 4.24 O ATOM 851 CB TYR A 81 16.280 -13.424 -2.962 1.00 3.70 C ATOM 852 CG TYR A 81 14.834 -13.348 -3.398 1.00 4.11 C ATOM 853 CD1 TYR A 81 14.295 -12.162 -3.883 1.00 4.28 C ATOM 854 CD2 TYR A 81 14.006 -14.458 -3.310 1.00 4.77 C ATOM 855 CE1 TYR A 81 12.972 -12.087 -4.268 1.00 4.93 C ATOM 856 CE2 TYR A 81 12.682 -14.390 -3.695 1.00 5.51 C ATOM 857 CZ TYR A 81 12.171 -13.203 -4.173 1.00 5.52 C ATOM 858 OH TYR A 81 10.851 -13.133 -4.555 1.00 6.40 O ATOM 859 OXT TYR A 81 18.761 -12.724 -1.800 1.00 4.07 O ATOM 0 H TYR A 81 15.892 -11.268 -1.721 1.00 2.56 H new ATOM 0 HA TYR A 81 15.947 -14.074 -0.945 1.00 3.12 H new ATOM 0 HB2 TYR A 81 16.849 -12.650 -3.477 1.00 3.70 H new ATOM 0 HB3 TYR A 81 16.696 -14.383 -3.271 1.00 3.70 H new ATOM 0 HD1 TYR A 81 14.921 -11.286 -3.960 1.00 4.28 H new ATOM 0 HD2 TYR A 81 14.403 -15.389 -2.935 1.00 4.77 H new ATOM 0 HE1 TYR A 81 12.567 -11.158 -4.642 1.00 4.93 H new ATOM 0 HE2 TYR A 81 12.050 -15.263 -3.622 1.00 5.51 H new ATOM 0 HH TYR A 81 10.426 -14.007 -4.426 1.00 6.40 H new TER 869 TYR A 81 ATOM 870 N GLY B -2 -1.684 -22.821 -4.648 1.00 7.36 N ATOM 871 CA GLY B -2 -2.430 -21.543 -4.611 1.00 7.05 C ATOM 872 C GLY B -2 -2.785 -21.140 -3.199 1.00 6.50 C ATOM 873 O GLY B -2 -3.434 -21.897 -2.475 1.00 6.41 O ATOM 0 H1 GLY B -2 -1.459 -23.063 -5.634 1.00 7.36 H new ATOM 0 H2 GLY B -2 -0.802 -22.724 -4.105 1.00 7.36 H new ATOM 0 H3 GLY B -2 -2.266 -23.575 -4.231 1.00 7.36 H new ATOM 0 HA2 GLY B -2 -1.830 -20.759 -5.073 1.00 7.05 H new ATOM 0 HA3 GLY B -2 -3.341 -21.637 -5.202 1.00 7.05 H new ATOM 879 N SER B -1 -2.346 -19.958 -2.796 1.00 6.41 N ATOM 880 CA SER B -1 -2.612 -19.467 -1.458 1.00 6.10 C ATOM 881 C SER B -1 -2.733 -17.946 -1.455 1.00 5.79 C ATOM 882 O SER B -1 -3.826 -17.411 -1.259 1.00 6.09 O ATOM 883 CB SER B -1 -1.503 -19.920 -0.499 1.00 6.39 C ATOM 884 OG SER B -1 -1.761 -19.502 0.832 1.00 6.64 O ATOM 0 H SER B -1 -1.803 -19.322 -3.380 1.00 6.41 H new ATOM 0 HA SER B -1 -3.560 -19.883 -1.119 1.00 6.10 H new ATOM 0 HB2 SER B -1 -1.416 -21.006 -0.530 1.00 6.39 H new ATOM 0 HB3 SER B -1 -0.547 -19.514 -0.830 1.00 6.39 H new ATOM 0 HG SER B -1 -1.037 -19.808 1.417 1.00 6.64 H new ATOM 890 N LYS B 32 -1.615 -17.260 -1.716 1.00 5.47 N ATOM 891 CA LYS B 32 -1.545 -15.805 -1.581 1.00 5.31 C ATOM 892 C LYS B 32 -2.052 -15.399 -0.204 1.00 4.83 C ATOM 893 O LYS B 32 -3.117 -14.798 -0.071 1.00 4.65 O ATOM 894 CB LYS B 32 -2.351 -15.084 -2.673 1.00 5.58 C ATOM 895 CG LYS B 32 -1.691 -15.045 -4.045 1.00 6.01 C ATOM 896 CD LYS B 32 -1.656 -16.414 -4.700 1.00 6.39 C ATOM 897 CE LYS B 32 -1.236 -16.324 -6.160 1.00 7.09 C ATOM 898 NZ LYS B 32 0.132 -15.765 -6.322 1.00 7.47 N ATOM 0 H LYS B 32 -0.744 -17.693 -2.023 1.00 5.47 H new ATOM 0 HA LYS B 32 -0.503 -15.507 -1.698 1.00 5.31 H new ATOM 0 HB2 LYS B 32 -3.321 -15.571 -2.768 1.00 5.58 H new ATOM 0 HB3 LYS B 32 -2.539 -14.061 -2.348 1.00 5.58 H new ATOM 0 HG2 LYS B 32 -2.232 -14.350 -4.687 1.00 6.01 H new ATOM 0 HG3 LYS B 32 -0.674 -14.664 -3.947 1.00 6.01 H new ATOM 0 HD2 LYS B 32 -0.963 -17.059 -4.160 1.00 6.39 H new ATOM 0 HD3 LYS B 32 -2.641 -16.876 -4.632 1.00 6.39 H new ATOM 0 HE2 LYS B 32 -1.276 -17.317 -6.609 1.00 7.09 H new ATOM 0 HE3 LYS B 32 -1.947 -15.701 -6.702 1.00 7.09 H new ATOM 0 HZ1 LYS B 32 0.419 -15.833 -7.319 1.00 7.47 H new ATOM 0 HZ2 LYS B 32 0.137 -14.768 -6.028 1.00 7.47 H new ATOM 0 HZ3 LYS B 32 0.799 -16.303 -5.732 1.00 7.47 H new ATOM 912 N GLU B 33 -1.291 -15.753 0.816 1.00 4.82 N ATOM 913 CA GLU B 33 -1.711 -15.543 2.191 1.00 4.46 C ATOM 914 C GLU B 33 -1.312 -14.157 2.696 1.00 4.00 C ATOM 915 O GLU B 33 -0.126 -13.841 2.829 1.00 4.07 O ATOM 916 CB GLU B 33 -1.108 -16.623 3.085 1.00 4.70 C ATOM 917 CG GLU B 33 -1.651 -16.626 4.504 1.00 4.79 C ATOM 918 CD GLU B 33 -1.044 -17.727 5.344 1.00 4.98 C ATOM 919 OE1 GLU B 33 0.036 -17.508 5.931 1.00 5.29 O ATOM 920 OE2 GLU B 33 -1.632 -18.826 5.415 1.00 5.19 O ATOM 0 H GLU B 33 -0.374 -16.189 0.718 1.00 4.82 H new ATOM 0 HA GLU B 33 -2.799 -15.606 2.226 1.00 4.46 H new ATOM 0 HB2 GLU B 33 -1.293 -17.598 2.634 1.00 4.70 H new ATOM 0 HB3 GLU B 33 -0.027 -16.488 3.121 1.00 4.70 H new ATOM 0 HG2 GLU B 33 -1.449 -15.662 4.971 1.00 4.79 H new ATOM 0 HG3 GLU B 33 -2.734 -16.747 4.477 1.00 4.79 H new ATOM 927 N LYS B 34 -2.318 -13.341 2.969 1.00 3.73 N ATOM 928 CA LYS B 34 -2.127 -12.014 3.548 1.00 3.44 C ATOM 929 C LYS B 34 -2.973 -11.910 4.810 1.00 3.03 C ATOM 930 O LYS B 34 -3.784 -12.801 5.076 1.00 3.00 O ATOM 931 CB LYS B 34 -2.550 -10.902 2.568 1.00 3.71 C ATOM 932 CG LYS B 34 -1.802 -10.887 1.240 1.00 4.14 C ATOM 933 CD LYS B 34 -2.383 -11.877 0.241 1.00 4.59 C ATOM 934 CE LYS B 34 -3.832 -11.554 -0.109 1.00 5.29 C ATOM 935 NZ LYS B 34 -4.433 -12.605 -0.969 1.00 5.79 N ATOM 0 H LYS B 34 -3.295 -13.578 2.796 1.00 3.73 H new ATOM 0 HA LYS B 34 -1.068 -11.883 3.772 1.00 3.44 H new ATOM 0 HB2 LYS B 34 -3.616 -11.005 2.365 1.00 3.71 H new ATOM 0 HB3 LYS B 34 -2.410 -9.937 3.056 1.00 3.71 H new ATOM 0 HG2 LYS B 34 -1.837 -9.883 0.817 1.00 4.14 H new ATOM 0 HG3 LYS B 34 -0.752 -11.123 1.414 1.00 4.14 H new ATOM 0 HD2 LYS B 34 -1.781 -11.870 -0.668 1.00 4.59 H new ATOM 0 HD3 LYS B 34 -2.326 -12.884 0.654 1.00 4.59 H new ATOM 0 HE2 LYS B 34 -4.415 -11.455 0.807 1.00 5.29 H new ATOM 0 HE3 LYS B 34 -3.878 -10.593 -0.622 1.00 5.29 H new ATOM 0 HZ1 LYS B 34 -5.437 -12.388 -1.132 1.00 5.79 H new ATOM 0 HZ2 LYS B 34 -3.933 -12.636 -1.880 1.00 5.79 H new ATOM 0 HZ3 LYS B 34 -4.350 -13.528 -0.498 1.00 5.79 H new ATOM 949 N PRO B 35 -2.776 -10.863 5.626 1.00 2.88 N ATOM 950 CA PRO B 35 -3.689 -10.554 6.728 1.00 2.61 C ATOM 951 C PRO B 35 -5.131 -10.457 6.226 1.00 2.27 C ATOM 952 O PRO B 35 -5.397 -9.800 5.217 1.00 2.34 O ATOM 953 CB PRO B 35 -3.195 -9.197 7.253 1.00 2.80 C ATOM 954 CG PRO B 35 -2.202 -8.706 6.250 1.00 3.20 C ATOM 955 CD PRO B 35 -1.648 -9.925 5.573 1.00 3.15 C ATOM 0 HA PRO B 35 -3.692 -11.323 7.501 1.00 2.61 H new ATOM 0 HB2 PRO B 35 -4.022 -8.495 7.360 1.00 2.80 H new ATOM 0 HB3 PRO B 35 -2.737 -9.302 8.237 1.00 2.80 H new ATOM 0 HG2 PRO B 35 -2.676 -8.042 5.527 1.00 3.20 H new ATOM 0 HG3 PRO B 35 -1.409 -8.136 6.735 1.00 3.20 H new ATOM 0 HD2 PRO B 35 -1.343 -9.716 4.548 1.00 3.15 H new ATOM 0 HD3 PRO B 35 -0.773 -10.314 6.093 1.00 3.15 H new ATOM 963 N LYS B 36 -6.045 -11.120 6.932 1.00 2.08 N ATOM 964 CA LYS B 36 -7.420 -11.288 6.464 1.00 1.82 C ATOM 965 C LYS B 36 -8.088 -9.969 6.101 1.00 1.56 C ATOM 966 O LYS B 36 -8.058 -9.003 6.867 1.00 1.53 O ATOM 967 CB LYS B 36 -8.281 -12.015 7.495 1.00 1.80 C ATOM 968 CG LYS B 36 -8.290 -11.372 8.874 1.00 2.24 C ATOM 969 CD LYS B 36 -9.220 -12.112 9.824 1.00 2.52 C ATOM 970 CE LYS B 36 -9.229 -11.486 11.210 1.00 3.04 C ATOM 971 NZ LYS B 36 -9.699 -10.075 11.189 1.00 3.62 N ATOM 0 H LYS B 36 -5.856 -11.552 7.836 1.00 2.08 H new ATOM 0 HA LYS B 36 -7.346 -11.892 5.560 1.00 1.82 H new ATOM 0 HB2 LYS B 36 -9.305 -12.065 7.124 1.00 1.80 H new ATOM 0 HB3 LYS B 36 -7.925 -13.041 7.589 1.00 1.80 H new ATOM 0 HG2 LYS B 36 -7.279 -11.367 9.282 1.00 2.24 H new ATOM 0 HG3 LYS B 36 -8.605 -10.332 8.790 1.00 2.24 H new ATOM 0 HD2 LYS B 36 -10.231 -12.109 9.418 1.00 2.52 H new ATOM 0 HD3 LYS B 36 -8.909 -13.154 9.898 1.00 2.52 H new ATOM 0 HE2 LYS B 36 -9.873 -12.071 11.866 1.00 3.04 H new ATOM 0 HE3 LYS B 36 -8.224 -11.526 11.631 1.00 3.04 H new ATOM 0 HZ1 LYS B 36 -9.866 -9.750 12.163 1.00 3.62 H new ATOM 0 HZ2 LYS B 36 -8.976 -9.475 10.743 1.00 3.62 H new ATOM 0 HZ3 LYS B 36 -10.584 -10.012 10.646 1.00 3.62 H new ATOM 985 N PRO B 37 -8.696 -9.925 4.914 1.00 1.50 N ATOM 986 CA PRO B 37 -9.434 -8.767 4.439 1.00 1.33 C ATOM 987 C PRO B 37 -10.911 -8.816 4.830 1.00 1.15 C ATOM 988 O PRO B 37 -11.488 -9.894 4.989 1.00 1.28 O ATOM 989 CB PRO B 37 -9.267 -8.903 2.935 1.00 1.52 C ATOM 990 CG PRO B 37 -9.315 -10.372 2.693 1.00 1.75 C ATOM 991 CD PRO B 37 -8.693 -11.012 3.910 1.00 1.75 C ATOM 0 HA PRO B 37 -9.077 -7.826 4.856 1.00 1.33 H new ATOM 0 HB2 PRO B 37 -10.061 -8.385 2.398 1.00 1.52 H new ATOM 0 HB3 PRO B 37 -8.323 -8.475 2.599 1.00 1.52 H new ATOM 0 HG2 PRO B 37 -10.341 -10.712 2.555 1.00 1.75 H new ATOM 0 HG3 PRO B 37 -8.767 -10.637 1.789 1.00 1.75 H new ATOM 0 HD2 PRO B 37 -9.269 -11.873 4.249 1.00 1.75 H new ATOM 0 HD3 PRO B 37 -7.683 -11.366 3.705 1.00 1.75 H new ATOM 999 N THR B 38 -11.515 -7.650 4.990 1.00 0.97 N ATOM 1000 CA THR B 38 -12.926 -7.559 5.337 1.00 0.84 C ATOM 1001 C THR B 38 -13.595 -6.433 4.545 1.00 0.72 C ATOM 1002 O THR B 38 -12.899 -5.582 3.987 1.00 0.66 O ATOM 1003 CB THR B 38 -13.111 -7.312 6.851 1.00 0.79 C ATOM 1004 OG1 THR B 38 -12.331 -6.183 7.263 1.00 0.85 O ATOM 1005 CG2 THR B 38 -12.709 -8.537 7.664 1.00 0.95 C ATOM 0 H THR B 38 -11.049 -6.749 4.885 1.00 0.97 H new ATOM 0 HA THR B 38 -13.396 -8.509 5.082 1.00 0.84 H new ATOM 0 HB THR B 38 -14.167 -7.112 7.032 1.00 0.79 H new ATOM 0 HG1 THR B 38 -12.804 -5.700 7.973 1.00 0.85 H new ATOM 0 HG21 THR B 38 -12.850 -8.332 8.725 1.00 0.95 H new ATOM 0 HG22 THR B 38 -13.328 -9.386 7.373 1.00 0.95 H new ATOM 0 HG23 THR B 38 -11.661 -8.770 7.476 1.00 0.95 H new ATOM 1013 N PRO B 39 -14.936 -6.414 4.451 1.00 0.74 N ATOM 1014 CA PRO B 39 -15.656 -5.351 3.740 1.00 0.70 C ATOM 1015 C PRO B 39 -15.257 -3.955 4.212 1.00 0.62 C ATOM 1016 O PRO B 39 -14.951 -3.087 3.397 1.00 0.56 O ATOM 1017 CB PRO B 39 -17.119 -5.624 4.067 1.00 0.78 C ATOM 1018 CG PRO B 39 -17.176 -7.084 4.353 1.00 0.87 C ATOM 1019 CD PRO B 39 -15.858 -7.431 4.993 1.00 0.83 C ATOM 0 HA PRO B 39 -15.436 -5.363 2.673 1.00 0.70 H new ATOM 0 HB2 PRO B 39 -17.449 -5.039 4.926 1.00 0.78 H new ATOM 0 HB3 PRO B 39 -17.768 -5.358 3.232 1.00 0.78 H new ATOM 0 HG2 PRO B 39 -18.007 -7.320 5.018 1.00 0.87 H new ATOM 0 HG3 PRO B 39 -17.328 -7.656 3.438 1.00 0.87 H new ATOM 0 HD2 PRO B 39 -15.915 -7.383 6.080 1.00 0.83 H new ATOM 0 HD3 PRO B 39 -15.539 -8.441 4.734 1.00 0.83 H new ATOM 1027 N ASP B 40 -15.238 -3.751 5.529 1.00 0.65 N ATOM 1028 CA ASP B 40 -14.868 -2.454 6.103 1.00 0.64 C ATOM 1029 C ASP B 40 -13.470 -2.047 5.651 1.00 0.57 C ATOM 1030 O ASP B 40 -13.197 -0.870 5.398 1.00 0.57 O ATOM 1031 CB ASP B 40 -14.937 -2.489 7.637 1.00 0.72 C ATOM 1032 CG ASP B 40 -13.933 -3.439 8.262 1.00 1.44 C ATOM 1033 OD1 ASP B 40 -14.202 -4.657 8.296 1.00 2.22 O ATOM 1034 OD2 ASP B 40 -12.874 -2.972 8.729 1.00 2.16 O ATOM 0 H ASP B 40 -15.474 -4.465 6.219 1.00 0.65 H new ATOM 0 HA ASP B 40 -15.584 -1.714 5.744 1.00 0.64 H new ATOM 0 HB2 ASP B 40 -14.766 -1.485 8.024 1.00 0.72 H new ATOM 0 HB3 ASP B 40 -15.942 -2.781 7.942 1.00 0.72 H new ATOM 1039 N TYR B 41 -12.593 -3.036 5.536 1.00 0.57 N ATOM 1040 CA TYR B 41 -11.243 -2.815 5.044 1.00 0.54 C ATOM 1041 C TYR B 41 -11.283 -2.304 3.604 1.00 0.46 C ATOM 1042 O TYR B 41 -10.494 -1.444 3.214 1.00 0.43 O ATOM 1043 CB TYR B 41 -10.421 -4.108 5.125 1.00 0.61 C ATOM 1044 CG TYR B 41 -8.963 -3.922 4.768 1.00 0.63 C ATOM 1045 CD1 TYR B 41 -8.544 -3.948 3.445 1.00 0.64 C ATOM 1046 CD2 TYR B 41 -8.009 -3.698 5.753 1.00 0.84 C ATOM 1047 CE1 TYR B 41 -7.220 -3.749 3.113 1.00 0.69 C ATOM 1048 CE2 TYR B 41 -6.681 -3.506 5.425 1.00 0.88 C ATOM 1049 CZ TYR B 41 -6.295 -3.528 4.104 1.00 0.73 C ATOM 1050 OH TYR B 41 -4.983 -3.313 3.770 1.00 0.82 O ATOM 0 H TYR B 41 -12.797 -4.005 5.779 1.00 0.57 H new ATOM 0 HA TYR B 41 -10.766 -2.063 5.672 1.00 0.54 H new ATOM 0 HB2 TYR B 41 -10.490 -4.510 6.136 1.00 0.61 H new ATOM 0 HB3 TYR B 41 -10.858 -4.849 4.456 1.00 0.61 H new ATOM 0 HD1 TYR B 41 -9.267 -4.127 2.663 1.00 0.64 H new ATOM 0 HD2 TYR B 41 -8.310 -3.674 6.790 1.00 0.84 H new ATOM 0 HE1 TYR B 41 -6.912 -3.767 2.078 1.00 0.69 H new ATOM 0 HE2 TYR B 41 -5.949 -3.339 6.201 1.00 0.88 H new ATOM 0 HH TYR B 41 -4.656 -4.063 3.231 1.00 0.82 H new ATOM 1060 N LEU B 42 -12.231 -2.813 2.830 1.00 0.44 N ATOM 1061 CA LEU B 42 -12.322 -2.480 1.415 1.00 0.39 C ATOM 1062 C LEU B 42 -13.031 -1.146 1.205 1.00 0.36 C ATOM 1063 O LEU B 42 -12.742 -0.429 0.250 1.00 0.34 O ATOM 1064 CB LEU B 42 -13.057 -3.585 0.650 1.00 0.43 C ATOM 1065 CG LEU B 42 -13.213 -3.344 -0.856 1.00 0.41 C ATOM 1066 CD1 LEU B 42 -11.856 -3.200 -1.521 1.00 0.37 C ATOM 1067 CD2 LEU B 42 -14.004 -4.470 -1.501 1.00 0.48 C ATOM 0 H LEU B 42 -12.949 -3.459 3.158 1.00 0.44 H new ATOM 0 HA LEU B 42 -11.306 -2.393 1.030 1.00 0.39 H new ATOM 0 HB2 LEU B 42 -12.523 -4.524 0.798 1.00 0.43 H new ATOM 0 HB3 LEU B 42 -14.048 -3.709 1.086 1.00 0.43 H new ATOM 0 HG LEU B 42 -13.763 -2.414 -0.995 1.00 0.41 H new ATOM 0 HD11 LEU B 42 -11.991 -3.030 -2.589 1.00 0.37 H new ATOM 0 HD12 LEU B 42 -11.324 -2.355 -1.083 1.00 0.37 H new ATOM 0 HD13 LEU B 42 -11.278 -4.111 -1.369 1.00 0.37 H new ATOM 0 HD21 LEU B 42 -14.103 -4.279 -2.570 1.00 0.48 H new ATOM 0 HD22 LEU B 42 -13.483 -5.415 -1.348 1.00 0.48 H new ATOM 0 HD23 LEU B 42 -14.994 -4.524 -1.049 1.00 0.48 H new ATOM 1079 N MET B 43 -13.932 -0.792 2.114 1.00 0.39 N ATOM 1080 CA MET B 43 -14.751 0.399 1.933 1.00 0.40 C ATOM 1081 C MET B 43 -13.896 1.638 2.126 1.00 0.36 C ATOM 1082 O MET B 43 -14.058 2.644 1.435 1.00 0.36 O ATOM 1083 CB MET B 43 -15.928 0.420 2.915 1.00 0.47 C ATOM 1084 CG MET B 43 -16.873 -0.772 2.803 1.00 0.63 C ATOM 1085 SD MET B 43 -17.524 -1.020 1.136 1.00 0.85 S ATOM 1086 CE MET B 43 -16.451 -2.326 0.532 1.00 0.54 C ATOM 0 H MET B 43 -14.113 -1.307 2.976 1.00 0.39 H new ATOM 0 HA MET B 43 -15.157 0.385 0.921 1.00 0.40 H new ATOM 0 HB2 MET B 43 -15.535 0.461 3.931 1.00 0.47 H new ATOM 0 HB3 MET B 43 -16.499 1.335 2.757 1.00 0.47 H new ATOM 0 HG2 MET B 43 -16.347 -1.674 3.117 1.00 0.63 H new ATOM 0 HG3 MET B 43 -17.705 -0.632 3.493 1.00 0.63 H new ATOM 0 HE1 MET B 43 -16.911 -2.804 -0.333 1.00 0.54 H new ATOM 0 HE2 MET B 43 -15.489 -1.902 0.244 1.00 0.54 H new ATOM 0 HE3 MET B 43 -16.300 -3.066 1.318 1.00 0.54 H new ATOM 1096 N GLN B 44 -12.962 1.535 3.055 1.00 0.36 N ATOM 1097 CA GLN B 44 -12.033 2.620 3.329 1.00 0.35 C ATOM 1098 C GLN B 44 -11.073 2.792 2.159 1.00 0.30 C ATOM 1099 O GLN B 44 -10.709 3.909 1.797 1.00 0.30 O ATOM 1100 CB GLN B 44 -11.264 2.340 4.617 1.00 0.42 C ATOM 1101 CG GLN B 44 -12.141 2.352 5.857 1.00 0.52 C ATOM 1102 CD GLN B 44 -11.439 1.777 7.068 1.00 0.64 C ATOM 1103 OE1 GLN B 44 -10.756 2.486 7.803 1.00 0.92 O ATOM 1104 NE2 GLN B 44 -11.609 0.483 7.284 1.00 0.75 N ATOM 0 H GLN B 44 -12.826 0.707 3.635 1.00 0.36 H new ATOM 0 HA GLN B 44 -12.595 3.545 3.456 1.00 0.35 H new ATOM 0 HB2 GLN B 44 -10.775 1.369 4.536 1.00 0.42 H new ATOM 0 HB3 GLN B 44 -10.476 3.085 4.731 1.00 0.42 H new ATOM 0 HG2 GLN B 44 -12.448 3.376 6.071 1.00 0.52 H new ATOM 0 HG3 GLN B 44 -13.049 1.781 5.662 1.00 0.52 H new ATOM 0 HE21 GLN B 44 -12.185 -0.069 6.648 1.00 0.75 H new ATOM 0 HE22 GLN B 44 -11.164 0.037 8.086 1.00 0.75 H new ATOM 1113 N LEU B 45 -10.688 1.671 1.556 1.00 0.27 N ATOM 1114 CA LEU B 45 -9.818 1.687 0.388 1.00 0.25 C ATOM 1115 C LEU B 45 -10.495 2.367 -0.794 1.00 0.23 C ATOM 1116 O LEU B 45 -9.830 2.984 -1.629 1.00 0.23 O ATOM 1117 CB LEU B 45 -9.410 0.267 -0.002 1.00 0.29 C ATOM 1118 CG LEU B 45 -8.243 -0.322 0.789 1.00 0.32 C ATOM 1119 CD1 LEU B 45 -7.975 -1.756 0.360 1.00 0.38 C ATOM 1120 CD2 LEU B 45 -6.997 0.522 0.588 1.00 0.31 C ATOM 0 H LEU B 45 -10.967 0.738 1.859 1.00 0.27 H new ATOM 0 HA LEU B 45 -8.926 2.255 0.652 1.00 0.25 H new ATOM 0 HB2 LEU B 45 -10.274 -0.387 0.118 1.00 0.29 H new ATOM 0 HB3 LEU B 45 -9.149 0.260 -1.060 1.00 0.29 H new ATOM 0 HG LEU B 45 -8.507 -0.320 1.846 1.00 0.32 H new ATOM 0 HD11 LEU B 45 -7.141 -2.158 0.935 1.00 0.38 H new ATOM 0 HD12 LEU B 45 -8.864 -2.361 0.539 1.00 0.38 H new ATOM 0 HD13 LEU B 45 -7.728 -1.778 -0.702 1.00 0.38 H new ATOM 0 HD21 LEU B 45 -6.172 0.093 1.156 1.00 0.31 H new ATOM 0 HD22 LEU B 45 -6.738 0.541 -0.470 1.00 0.31 H new ATOM 0 HD23 LEU B 45 -7.186 1.538 0.934 1.00 0.31 H new ATOM 1132 N MET B 46 -11.819 2.271 -0.849 1.00 0.26 N ATOM 1133 CA MET B 46 -12.571 2.855 -1.949 1.00 0.27 C ATOM 1134 C MET B 46 -12.432 4.364 -1.950 1.00 0.26 C ATOM 1135 O MET B 46 -12.361 4.986 -3.012 1.00 0.40 O ATOM 1136 CB MET B 46 -14.054 2.497 -1.880 1.00 0.33 C ATOM 1137 CG MET B 46 -14.352 1.010 -1.966 1.00 0.38 C ATOM 1138 SD MET B 46 -16.109 0.666 -2.212 1.00 0.49 S ATOM 1139 CE MET B 46 -16.850 1.723 -0.966 1.00 0.49 C ATOM 0 H MET B 46 -12.389 1.797 -0.148 1.00 0.26 H new ATOM 0 HA MET B 46 -12.155 2.442 -2.868 1.00 0.27 H new ATOM 0 HB2 MET B 46 -14.464 2.883 -0.947 1.00 0.33 H new ATOM 0 HB3 MET B 46 -14.575 3.006 -2.691 1.00 0.33 H new ATOM 0 HG2 MET B 46 -13.782 0.576 -2.788 1.00 0.38 H new ATOM 0 HG3 MET B 46 -14.015 0.522 -1.051 1.00 0.38 H new ATOM 0 HE1 MET B 46 -17.808 1.305 -0.657 1.00 0.49 H new ATOM 0 HE2 MET B 46 -16.187 1.788 -0.103 1.00 0.49 H new ATOM 0 HE3 MET B 46 -17.006 2.719 -1.380 1.00 0.49 H new ATOM 1149 N ASN B 47 -12.367 4.964 -0.766 1.00 0.24 N ATOM 1150 CA ASN B 47 -12.292 6.411 -0.658 1.00 0.30 C ATOM 1151 C ASN B 47 -10.854 6.866 -0.842 1.00 0.26 C ATOM 1152 O ASN B 47 -10.598 7.964 -1.329 1.00 0.28 O ATOM 1153 CB ASN B 47 -12.812 6.866 0.712 1.00 0.42 C ATOM 1154 CG ASN B 47 -12.783 8.376 0.904 1.00 0.80 C ATOM 1155 OD1 ASN B 47 -12.487 8.864 1.995 1.00 1.60 O ATOM 1156 ND2 ASN B 47 -13.120 9.126 -0.136 1.00 1.43 N ATOM 0 H ASN B 47 -12.365 4.471 0.127 1.00 0.24 H new ATOM 0 HA ASN B 47 -12.912 6.857 -1.436 1.00 0.30 H new ATOM 0 HB2 ASN B 47 -13.835 6.512 0.839 1.00 0.42 H new ATOM 0 HB3 ASN B 47 -12.213 6.397 1.493 1.00 0.42 H new ATOM 0 HD21 ASN B 47 -13.140 10.142 -0.047 1.00 1.43 H new ATOM 0 HD22 ASN B 47 -13.359 8.687 -1.025 1.00 1.43 H new ATOM 1163 N ASP B 48 -9.914 5.995 -0.495 1.00 0.24 N ATOM 1164 CA ASP B 48 -8.499 6.335 -0.562 1.00 0.25 C ATOM 1165 C ASP B 48 -8.043 6.403 -2.013 1.00 0.25 C ATOM 1166 O ASP B 48 -7.442 7.389 -2.439 1.00 0.30 O ATOM 1167 CB ASP B 48 -7.648 5.309 0.201 1.00 0.25 C ATOM 1168 CG ASP B 48 -7.653 5.513 1.709 1.00 0.29 C ATOM 1169 OD1 ASP B 48 -8.148 6.563 2.175 1.00 0.93 O ATOM 1170 OD2 ASP B 48 -7.135 4.633 2.435 1.00 0.74 O ATOM 0 H ASP B 48 -10.106 5.049 -0.165 1.00 0.24 H new ATOM 0 HA ASP B 48 -8.365 7.311 -0.095 1.00 0.25 H new ATOM 0 HB2 ASP B 48 -8.015 4.307 -0.023 1.00 0.25 H new ATOM 0 HB3 ASP B 48 -6.621 5.361 -0.161 1.00 0.25 H new ATOM 1175 N LYS B 49 -8.364 5.360 -2.776 1.00 0.22 N ATOM 1176 CA LYS B 49 -7.974 5.280 -4.183 1.00 0.27 C ATOM 1177 C LYS B 49 -8.672 6.369 -4.998 1.00 0.33 C ATOM 1178 O LYS B 49 -8.166 6.818 -6.026 1.00 0.44 O ATOM 1179 CB LYS B 49 -8.321 3.899 -4.749 1.00 0.31 C ATOM 1180 CG LYS B 49 -7.290 3.346 -5.729 1.00 0.58 C ATOM 1181 CD LYS B 49 -7.203 4.153 -7.019 1.00 0.92 C ATOM 1182 CE LYS B 49 -8.239 3.721 -8.051 1.00 1.45 C ATOM 1183 NZ LYS B 49 -9.621 4.150 -7.703 1.00 2.10 N ATOM 0 H LYS B 49 -8.895 4.556 -2.442 1.00 0.22 H new ATOM 0 HA LYS B 49 -6.897 5.432 -4.251 1.00 0.27 H new ATOM 0 HB2 LYS B 49 -8.432 3.198 -3.922 1.00 0.31 H new ATOM 0 HB3 LYS B 49 -9.287 3.957 -5.250 1.00 0.31 H new ATOM 0 HG2 LYS B 49 -6.311 3.332 -5.249 1.00 0.58 H new ATOM 0 HG3 LYS B 49 -7.542 2.313 -5.969 1.00 0.58 H new ATOM 0 HD2 LYS B 49 -7.340 5.210 -6.792 1.00 0.92 H new ATOM 0 HD3 LYS B 49 -6.205 4.045 -7.444 1.00 0.92 H new ATOM 0 HE2 LYS B 49 -7.970 4.135 -9.023 1.00 1.45 H new ATOM 0 HE3 LYS B 49 -8.215 2.636 -8.149 1.00 1.45 H new ATOM 0 HZ1 LYS B 49 -10.172 4.288 -8.575 1.00 2.10 H new ATOM 0 HZ2 LYS B 49 -10.075 3.419 -7.119 1.00 2.10 H new ATOM 0 HZ3 LYS B 49 -9.584 5.044 -7.172 1.00 2.10 H new ATOM 1197 N LYS B 50 -9.817 6.821 -4.520 1.00 0.30 N ATOM 1198 CA LYS B 50 -10.596 7.798 -5.258 1.00 0.37 C ATOM 1199 C LYS B 50 -10.107 9.199 -4.928 1.00 0.39 C ATOM 1200 O LYS B 50 -9.922 10.031 -5.815 1.00 0.44 O ATOM 1201 CB LYS B 50 -12.085 7.656 -4.935 1.00 0.42 C ATOM 1202 CG LYS B 50 -12.990 8.411 -5.895 1.00 1.14 C ATOM 1203 CD LYS B 50 -14.458 8.087 -5.661 1.00 1.67 C ATOM 1204 CE LYS B 50 -14.969 8.666 -4.352 1.00 2.35 C ATOM 1205 NZ LYS B 50 -15.005 10.153 -4.371 1.00 3.05 N ATOM 0 H LYS B 50 -10.225 6.530 -3.632 1.00 0.30 H new ATOM 0 HA LYS B 50 -10.465 7.621 -6.326 1.00 0.37 H new ATOM 0 HB2 LYS B 50 -12.353 6.600 -4.951 1.00 0.42 H new ATOM 0 HB3 LYS B 50 -12.264 8.015 -3.921 1.00 0.42 H new ATOM 0 HG2 LYS B 50 -12.831 9.483 -5.777 1.00 1.14 H new ATOM 0 HG3 LYS B 50 -12.721 8.160 -6.921 1.00 1.14 H new ATOM 0 HD2 LYS B 50 -15.052 8.479 -6.487 1.00 1.67 H new ATOM 0 HD3 LYS B 50 -14.594 7.006 -5.656 1.00 1.67 H new ATOM 0 HE2 LYS B 50 -15.970 8.283 -4.153 1.00 2.35 H new ATOM 0 HE3 LYS B 50 -14.331 8.330 -3.535 1.00 2.35 H new ATOM 0 HZ1 LYS B 50 -15.571 10.497 -3.569 1.00 3.05 H new ATOM 0 HZ2 LYS B 50 -14.037 10.525 -4.296 1.00 3.05 H new ATOM 0 HZ3 LYS B 50 -15.432 10.479 -5.261 1.00 3.05 H new ATOM 1219 N LEU B 51 -9.872 9.441 -3.643 1.00 0.38 N ATOM 1220 CA LEU B 51 -9.405 10.737 -3.176 1.00 0.44 C ATOM 1221 C LEU B 51 -8.014 11.041 -3.724 1.00 0.43 C ATOM 1222 O LEU B 51 -7.732 12.175 -4.109 1.00 0.47 O ATOM 1223 CB LEU B 51 -9.412 10.771 -1.639 1.00 0.48 C ATOM 1224 CG LEU B 51 -9.161 12.137 -0.987 1.00 0.70 C ATOM 1225 CD1 LEU B 51 -9.829 12.197 0.376 1.00 1.10 C ATOM 1226 CD2 LEU B 51 -7.671 12.404 -0.835 1.00 1.22 C ATOM 0 H LEU B 51 -9.999 8.750 -2.903 1.00 0.38 H new ATOM 0 HA LEU B 51 -10.081 11.509 -3.544 1.00 0.44 H new ATOM 0 HB2 LEU B 51 -10.376 10.399 -1.293 1.00 0.48 H new ATOM 0 HB3 LEU B 51 -8.654 10.076 -1.278 1.00 0.48 H new ATOM 0 HG LEU B 51 -9.587 12.902 -1.636 1.00 0.70 H new ATOM 0 HD11 LEU B 51 -9.644 13.171 0.829 1.00 1.10 H new ATOM 0 HD12 LEU B 51 -10.903 12.048 0.262 1.00 1.10 H new ATOM 0 HD13 LEU B 51 -9.420 11.415 1.016 1.00 1.10 H new ATOM 0 HD21 LEU B 51 -7.522 13.379 -0.370 1.00 1.22 H new ATOM 0 HD22 LEU B 51 -7.225 11.631 -0.209 1.00 1.22 H new ATOM 0 HD23 LEU B 51 -7.198 12.394 -1.817 1.00 1.22 H new ATOM 1238 N MET B 52 -7.152 10.025 -3.791 1.00 0.39 N ATOM 1239 CA MET B 52 -5.784 10.221 -4.262 1.00 0.37 C ATOM 1240 C MET B 52 -5.770 10.680 -5.720 1.00 0.41 C ATOM 1241 O MET B 52 -4.934 11.487 -6.116 1.00 0.47 O ATOM 1242 CB MET B 52 -4.952 8.936 -4.105 1.00 0.33 C ATOM 1243 CG MET B 52 -5.456 7.762 -4.924 1.00 1.29 C ATOM 1244 SD MET B 52 -4.404 6.303 -4.786 1.00 1.25 S ATOM 1245 CE MET B 52 -4.440 6.004 -3.019 1.00 0.32 C ATOM 0 H MET B 52 -7.376 9.066 -3.527 1.00 0.39 H new ATOM 0 HA MET B 52 -5.334 10.999 -3.646 1.00 0.37 H new ATOM 0 HB2 MET B 52 -3.921 9.147 -4.390 1.00 0.33 H new ATOM 0 HB3 MET B 52 -4.940 8.651 -3.053 1.00 0.33 H new ATOM 0 HG2 MET B 52 -6.465 7.507 -4.601 1.00 1.29 H new ATOM 0 HG3 MET B 52 -5.522 8.058 -5.971 1.00 1.29 H new ATOM 0 HE1 MET B 52 -3.459 6.216 -2.594 1.00 0.32 H new ATOM 0 HE2 MET B 52 -5.184 6.652 -2.555 1.00 0.32 H new ATOM 0 HE3 MET B 52 -4.699 4.962 -2.832 1.00 0.32 H new ATOM 1255 N SER B 53 -6.722 10.187 -6.506 1.00 0.41 N ATOM 1256 CA SER B 53 -6.788 10.519 -7.923 1.00 0.47 C ATOM 1257 C SER B 53 -7.322 11.939 -8.139 1.00 0.51 C ATOM 1258 O SER B 53 -7.343 12.444 -9.260 1.00 0.62 O ATOM 1259 CB SER B 53 -7.667 9.502 -8.659 1.00 0.52 C ATOM 1260 OG SER B 53 -7.620 9.698 -10.064 1.00 1.15 O ATOM 0 H SER B 53 -7.457 9.557 -6.185 1.00 0.41 H new ATOM 0 HA SER B 53 -5.777 10.478 -8.328 1.00 0.47 H new ATOM 0 HB2 SER B 53 -7.335 8.492 -8.420 1.00 0.52 H new ATOM 0 HB3 SER B 53 -8.697 9.590 -8.312 1.00 0.52 H new ATOM 0 HG SER B 53 -7.437 10.641 -10.257 1.00 1.15 H new ATOM 1266 N SER B 54 -7.755 12.583 -7.065 1.00 0.49 N ATOM 1267 CA SER B 54 -8.283 13.935 -7.156 1.00 0.54 C ATOM 1268 C SER B 54 -7.232 14.947 -6.702 1.00 0.53 C ATOM 1269 O SER B 54 -7.452 16.159 -6.753 1.00 0.53 O ATOM 1270 CB SER B 54 -9.549 14.056 -6.302 1.00 0.60 C ATOM 1271 OG SER B 54 -10.223 15.282 -6.539 1.00 1.30 O ATOM 0 H SER B 54 -7.751 12.192 -6.123 1.00 0.49 H new ATOM 0 HA SER B 54 -8.537 14.148 -8.194 1.00 0.54 H new ATOM 0 HB2 SER B 54 -10.218 13.224 -6.522 1.00 0.60 H new ATOM 0 HB3 SER B 54 -9.285 13.983 -5.247 1.00 0.60 H new ATOM 0 HG SER B 54 -9.566 15.993 -6.689 1.00 1.30 H new ATOM 1277 N LEU B 55 -6.092 14.437 -6.260 1.00 0.55 N ATOM 1278 CA LEU B 55 -5.018 15.278 -5.746 1.00 0.57 C ATOM 1279 C LEU B 55 -3.968 15.560 -6.819 1.00 0.65 C ATOM 1280 O LEU B 55 -3.282 14.647 -7.276 1.00 0.65 O ATOM 1281 CB LEU B 55 -4.350 14.593 -4.559 1.00 0.51 C ATOM 1282 CG LEU B 55 -5.268 14.247 -3.390 1.00 0.53 C ATOM 1283 CD1 LEU B 55 -4.481 13.514 -2.320 1.00 0.56 C ATOM 1284 CD2 LEU B 55 -5.914 15.498 -2.814 1.00 0.65 C ATOM 0 H LEU B 55 -5.885 13.438 -6.247 1.00 0.55 H new ATOM 0 HA LEU B 55 -5.456 16.226 -5.434 1.00 0.57 H new ATOM 0 HB2 LEU B 55 -3.879 13.675 -4.911 1.00 0.51 H new ATOM 0 HB3 LEU B 55 -3.553 15.239 -4.192 1.00 0.51 H new ATOM 0 HG LEU B 55 -6.065 13.599 -3.754 1.00 0.53 H new ATOM 0 HD11 LEU B 55 -5.140 13.269 -1.487 1.00 0.56 H new ATOM 0 HD12 LEU B 55 -4.067 12.596 -2.737 1.00 0.56 H new ATOM 0 HD13 LEU B 55 -3.670 14.150 -1.965 1.00 0.56 H new ATOM 0 HD21 LEU B 55 -6.563 15.223 -1.983 1.00 0.65 H new ATOM 0 HD22 LEU B 55 -5.139 16.178 -2.460 1.00 0.65 H new ATOM 0 HD23 LEU B 55 -6.504 15.992 -3.586 1.00 0.65 H new ATOM 1296 N PRO B 56 -3.820 16.832 -7.230 1.00 0.81 N ATOM 1297 CA PRO B 56 -2.802 17.240 -8.205 1.00 0.95 C ATOM 1298 C PRO B 56 -1.383 17.154 -7.637 1.00 0.88 C ATOM 1299 O PRO B 56 -0.407 17.034 -8.381 1.00 1.19 O ATOM 1300 CB PRO B 56 -3.153 18.700 -8.523 1.00 1.14 C ATOM 1301 CG PRO B 56 -4.515 18.920 -7.956 1.00 1.26 C ATOM 1302 CD PRO B 56 -4.645 17.971 -6.804 1.00 0.98 C ATOM 0 HA PRO B 56 -2.807 16.589 -9.079 1.00 0.95 H new ATOM 0 HB2 PRO B 56 -2.429 19.383 -8.078 1.00 1.14 H new ATOM 0 HB3 PRO B 56 -3.143 18.880 -9.598 1.00 1.14 H new ATOM 0 HG2 PRO B 56 -4.638 19.952 -7.626 1.00 1.26 H new ATOM 0 HG3 PRO B 56 -5.284 18.731 -8.705 1.00 1.26 H new ATOM 0 HD2 PRO B 56 -4.281 18.410 -5.875 1.00 0.98 H new ATOM 0 HD3 PRO B 56 -5.681 17.679 -6.634 1.00 0.98 H new ATOM 1310 N ASN B 57 -1.276 17.203 -6.313 1.00 0.63 N ATOM 1311 CA ASN B 57 0.024 17.143 -5.651 1.00 0.62 C ATOM 1312 C ASN B 57 0.438 15.698 -5.430 1.00 0.57 C ATOM 1313 O ASN B 57 1.616 15.397 -5.240 1.00 0.59 O ATOM 1314 CB ASN B 57 0.003 17.880 -4.307 1.00 0.68 C ATOM 1315 CG ASN B 57 -0.180 19.378 -4.454 1.00 1.32 C ATOM 1316 OD1 ASN B 57 0.789 20.124 -4.607 1.00 2.22 O ATOM 1317 ND2 ASN B 57 -1.420 19.832 -4.392 1.00 1.73 N ATOM 0 H ASN B 57 -2.070 17.284 -5.678 1.00 0.63 H new ATOM 0 HA ASN B 57 0.747 17.634 -6.302 1.00 0.62 H new ATOM 0 HB2 ASN B 57 -0.803 17.480 -3.692 1.00 0.68 H new ATOM 0 HB3 ASN B 57 0.935 17.684 -3.777 1.00 0.68 H new ATOM 0 HD21 ASN B 57 -1.601 20.833 -4.472 1.00 1.73 H new ATOM 0 HD22 ASN B 57 -2.195 19.182 -4.265 1.00 1.73 H new ATOM 1324 N PHE B 58 -0.545 14.806 -5.457 1.00 0.62 N ATOM 1325 CA PHE B 58 -0.291 13.393 -5.235 1.00 0.70 C ATOM 1326 C PHE B 58 0.612 12.829 -6.322 1.00 0.90 C ATOM 1327 O PHE B 58 1.494 12.024 -6.034 1.00 1.77 O ATOM 1328 CB PHE B 58 -1.599 12.616 -5.156 1.00 0.69 C ATOM 1329 CG PHE B 58 -1.415 11.155 -4.872 1.00 0.65 C ATOM 1330 CD1 PHE B 58 -2.068 10.208 -5.631 1.00 0.90 C ATOM 1331 CD2 PHE B 58 -0.586 10.730 -3.846 1.00 1.13 C ATOM 1332 CE1 PHE B 58 -1.902 8.864 -5.376 1.00 0.90 C ATOM 1333 CE2 PHE B 58 -0.419 9.385 -3.588 1.00 1.15 C ATOM 1334 CZ PHE B 58 -1.077 8.450 -4.354 1.00 0.69 C ATOM 0 H PHE B 58 -1.523 15.038 -5.630 1.00 0.62 H new ATOM 0 HA PHE B 58 0.224 13.285 -4.280 1.00 0.70 H new ATOM 0 HB2 PHE B 58 -2.224 13.053 -4.377 1.00 0.69 H new ATOM 0 HB3 PHE B 58 -2.136 12.729 -6.098 1.00 0.69 H new ATOM 0 HD1 PHE B 58 -2.717 10.523 -6.435 1.00 0.90 H new ATOM 0 HD2 PHE B 58 -0.066 11.459 -3.242 1.00 1.13 H new ATOM 0 HE1 PHE B 58 -2.420 8.133 -5.979 1.00 0.90 H new ATOM 0 HE2 PHE B 58 0.228 9.066 -2.785 1.00 1.15 H new ATOM 0 HZ PHE B 58 -0.947 7.397 -4.155 1.00 0.69 H new ATOM 1344 N SER B 59 0.379 13.228 -7.571 1.00 0.91 N ATOM 1345 CA SER B 59 1.301 12.916 -8.664 1.00 1.02 C ATOM 1346 C SER B 59 2.653 13.615 -8.464 1.00 1.10 C ATOM 1347 O SER B 59 3.063 14.456 -9.264 1.00 1.84 O ATOM 1348 CB SER B 59 0.684 13.333 -9.999 1.00 1.21 C ATOM 1349 OG SER B 59 -0.592 12.744 -10.176 1.00 1.84 O ATOM 0 H SER B 59 -0.440 13.768 -7.852 1.00 0.91 H new ATOM 0 HA SER B 59 1.476 11.840 -8.668 1.00 1.02 H new ATOM 0 HB2 SER B 59 0.596 14.419 -10.039 1.00 1.21 H new ATOM 0 HB3 SER B 59 1.342 13.036 -10.816 1.00 1.21 H new ATOM 0 HG SER B 59 -0.967 13.027 -11.036 1.00 1.84 H new ATOM 1355 N GLY B 60 3.320 13.263 -7.380 1.00 0.91 N ATOM 1356 CA GLY B 60 4.617 13.814 -7.057 1.00 0.88 C ATOM 1357 C GLY B 60 5.128 13.233 -5.758 1.00 0.67 C ATOM 1358 O GLY B 60 6.334 13.088 -5.553 1.00 0.74 O ATOM 0 H GLY B 60 2.974 12.586 -6.700 1.00 0.91 H new ATOM 0 HA2 GLY B 60 5.321 13.599 -7.861 1.00 0.88 H new ATOM 0 HA3 GLY B 60 4.548 14.899 -6.975 1.00 0.88 H new ATOM 1362 N ILE B 61 4.195 12.896 -4.878 1.00 0.51 N ATOM 1363 CA ILE B 61 4.516 12.214 -3.635 1.00 0.54 C ATOM 1364 C ILE B 61 4.056 10.767 -3.720 1.00 0.73 C ATOM 1365 O ILE B 61 3.160 10.453 -4.502 1.00 1.81 O ATOM 1366 CB ILE B 61 3.831 12.879 -2.413 1.00 0.58 C ATOM 1367 CG1 ILE B 61 2.307 12.695 -2.481 1.00 0.64 C ATOM 1368 CG2 ILE B 61 4.191 14.356 -2.343 1.00 0.79 C ATOM 1369 CD1 ILE B 61 1.550 13.314 -1.325 1.00 0.79 C ATOM 0 H ILE B 61 3.201 13.087 -5.006 1.00 0.51 H new ATOM 0 HA ILE B 61 5.596 12.274 -3.497 1.00 0.54 H new ATOM 0 HB ILE B 61 4.192 12.393 -1.507 1.00 0.58 H new ATOM 0 HG12 ILE B 61 1.942 13.129 -3.412 1.00 0.64 H new ATOM 0 HG13 ILE B 61 2.083 11.629 -2.517 1.00 0.64 H new ATOM 0 HG21 ILE B 61 3.703 14.809 -1.480 1.00 0.79 H new ATOM 0 HG22 ILE B 61 5.271 14.463 -2.246 1.00 0.79 H new ATOM 0 HG23 ILE B 61 3.857 14.855 -3.252 1.00 0.79 H new ATOM 0 HD11 ILE B 61 0.482 13.137 -1.453 1.00 0.79 H new ATOM 0 HD12 ILE B 61 1.883 12.864 -0.390 1.00 0.79 H new ATOM 0 HD13 ILE B 61 1.739 14.387 -1.299 1.00 0.79 H new ATOM 1381 N PHE B 62 4.689 9.891 -2.947 1.00 0.58 N ATOM 1382 CA PHE B 62 4.219 8.516 -2.775 1.00 0.50 C ATOM 1383 C PHE B 62 4.235 7.743 -4.093 1.00 0.51 C ATOM 1384 O PHE B 62 3.250 7.738 -4.835 1.00 0.76 O ATOM 1385 CB PHE B 62 2.795 8.491 -2.210 1.00 0.50 C ATOM 1386 CG PHE B 62 2.581 9.261 -0.935 1.00 0.48 C ATOM 1387 CD1 PHE B 62 3.640 9.815 -0.232 1.00 0.48 C ATOM 1388 CD2 PHE B 62 1.298 9.437 -0.445 1.00 0.64 C ATOM 1389 CE1 PHE B 62 3.420 10.529 0.923 1.00 0.53 C ATOM 1390 CE2 PHE B 62 1.075 10.146 0.711 1.00 0.68 C ATOM 1391 CZ PHE B 62 2.135 10.694 1.393 1.00 0.59 C ATOM 0 H PHE B 62 5.537 10.109 -2.424 1.00 0.58 H new ATOM 0 HA PHE B 62 4.904 8.038 -2.075 1.00 0.50 H new ATOM 0 HB2 PHE B 62 2.117 8.884 -2.968 1.00 0.50 H new ATOM 0 HB3 PHE B 62 2.512 7.453 -2.037 1.00 0.50 H new ATOM 0 HD1 PHE B 62 4.649 9.684 -0.595 1.00 0.48 H new ATOM 0 HD2 PHE B 62 0.461 9.011 -0.979 1.00 0.64 H new ATOM 0 HE1 PHE B 62 4.252 10.959 1.460 1.00 0.53 H new ATOM 0 HE2 PHE B 62 0.069 10.272 1.083 1.00 0.68 H new ATOM 0 HZ PHE B 62 1.961 11.255 2.299 1.00 0.59 H new ATOM 1401 N THR B 63 5.334 7.072 -4.373 1.00 0.35 N ATOM 1402 CA THR B 63 5.456 6.319 -5.609 1.00 0.38 C ATOM 1403 C THR B 63 4.739 4.971 -5.514 1.00 0.30 C ATOM 1404 O THR B 63 3.999 4.584 -6.417 1.00 0.38 O ATOM 1405 CB THR B 63 6.938 6.091 -5.965 1.00 0.49 C ATOM 1406 OG1 THR B 63 7.608 7.355 -6.069 1.00 0.79 O ATOM 1407 CG2 THR B 63 7.080 5.330 -7.276 1.00 0.66 C ATOM 0 H THR B 63 6.153 7.031 -3.766 1.00 0.35 H new ATOM 0 HA THR B 63 4.984 6.908 -6.396 1.00 0.38 H new ATOM 0 HB THR B 63 7.390 5.494 -5.173 1.00 0.49 H new ATOM 0 HG1 THR B 63 8.551 7.208 -6.294 1.00 0.79 H new ATOM 0 HG21 THR B 63 8.137 5.185 -7.500 1.00 0.66 H new ATOM 0 HG22 THR B 63 6.591 4.360 -7.188 1.00 0.66 H new ATOM 0 HG23 THR B 63 6.614 5.900 -8.080 1.00 0.66 H new ATOM 1415 N HIS B 64 4.935 4.271 -4.405 1.00 0.26 N ATOM 1416 CA HIS B 64 4.438 2.903 -4.273 1.00 0.25 C ATOM 1417 C HIS B 64 3.049 2.846 -3.660 1.00 0.25 C ATOM 1418 O HIS B 64 2.358 1.837 -3.774 1.00 0.54 O ATOM 1419 CB HIS B 64 5.406 2.058 -3.453 1.00 0.34 C ATOM 1420 CG HIS B 64 6.616 1.655 -4.226 1.00 0.43 C ATOM 1421 ND1 HIS B 64 7.215 0.428 -4.100 1.00 0.86 N ATOM 1422 CD2 HIS B 64 7.326 2.324 -5.159 1.00 0.71 C ATOM 1423 CE1 HIS B 64 8.242 0.359 -4.924 1.00 0.83 C ATOM 1424 NE2 HIS B 64 8.333 1.497 -5.582 1.00 0.68 N ATOM 0 H HIS B 64 5.431 4.623 -3.586 1.00 0.26 H new ATOM 0 HA HIS B 64 4.366 2.495 -5.281 1.00 0.25 H new ATOM 0 HB2 HIS B 64 5.714 2.619 -2.571 1.00 0.34 H new ATOM 0 HB3 HIS B 64 4.892 1.164 -3.099 1.00 0.34 H new ATOM 0 HD1 HIS B 64 6.914 -0.314 -3.469 1.00 0.86 H new ATOM 0 HD2 HIS B 64 7.135 3.328 -5.508 1.00 0.71 H new ATOM 0 HE1 HIS B 64 8.900 -0.490 -5.040 1.00 0.83 H new ATOM 1433 N LEU B 65 2.635 3.938 -3.038 1.00 0.32 N ATOM 1434 CA LEU B 65 1.355 3.991 -2.336 1.00 0.22 C ATOM 1435 C LEU B 65 0.203 3.743 -3.302 1.00 0.21 C ATOM 1436 O LEU B 65 -0.700 2.957 -3.022 1.00 0.24 O ATOM 1437 CB LEU B 65 1.181 5.357 -1.662 1.00 0.29 C ATOM 1438 CG LEU B 65 1.987 5.595 -0.370 1.00 0.36 C ATOM 1439 CD1 LEU B 65 1.555 4.637 0.720 1.00 0.84 C ATOM 1440 CD2 LEU B 65 3.481 5.459 -0.608 1.00 0.99 C ATOM 0 H LEU B 65 3.168 4.807 -3.003 1.00 0.32 H new ATOM 0 HA LEU B 65 1.347 3.211 -1.575 1.00 0.22 H new ATOM 0 HB2 LEU B 65 1.454 6.129 -2.381 1.00 0.29 H new ATOM 0 HB3 LEU B 65 0.124 5.493 -1.434 1.00 0.29 H new ATOM 0 HG LEU B 65 1.783 6.617 -0.049 1.00 0.36 H new ATOM 0 HD11 LEU B 65 2.138 4.825 1.622 1.00 0.84 H new ATOM 0 HD12 LEU B 65 0.497 4.784 0.935 1.00 0.84 H new ATOM 0 HD13 LEU B 65 1.719 3.611 0.389 1.00 0.84 H new ATOM 0 HD21 LEU B 65 4.016 5.634 0.326 1.00 0.99 H new ATOM 0 HD22 LEU B 65 3.702 4.455 -0.970 1.00 0.99 H new ATOM 0 HD23 LEU B 65 3.799 6.191 -1.351 1.00 0.99 H new ATOM 1452 N GLU B 66 0.261 4.417 -4.441 1.00 0.31 N ATOM 1453 CA GLU B 66 -0.768 4.324 -5.468 1.00 0.40 C ATOM 1454 C GLU B 66 -0.978 2.866 -5.898 1.00 0.38 C ATOM 1455 O GLU B 66 -2.097 2.351 -5.861 1.00 0.38 O ATOM 1456 CB GLU B 66 -0.339 5.197 -6.655 1.00 0.53 C ATOM 1457 CG GLU B 66 -1.475 5.695 -7.536 1.00 0.88 C ATOM 1458 CD GLU B 66 -1.948 4.668 -8.542 1.00 1.12 C ATOM 1459 OE1 GLU B 66 -1.094 4.045 -9.214 1.00 1.75 O ATOM 1460 OE2 GLU B 66 -3.173 4.505 -8.688 1.00 1.75 O ATOM 0 H GLU B 66 1.027 5.047 -4.681 1.00 0.31 H new ATOM 0 HA GLU B 66 -1.721 4.680 -5.077 1.00 0.40 H new ATOM 0 HB2 GLU B 66 0.208 6.059 -6.273 1.00 0.53 H new ATOM 0 HB3 GLU B 66 0.355 4.627 -7.272 1.00 0.53 H new ATOM 0 HG2 GLU B 66 -2.314 5.987 -6.904 1.00 0.88 H new ATOM 0 HG3 GLU B 66 -1.149 6.589 -8.067 1.00 0.88 H new ATOM 1467 N ARG B 67 0.111 2.202 -6.274 1.00 0.42 N ATOM 1468 CA ARG B 67 0.041 0.818 -6.741 1.00 0.44 C ATOM 1469 C ARG B 67 -0.430 -0.128 -5.639 1.00 0.39 C ATOM 1470 O ARG B 67 -1.146 -1.095 -5.909 1.00 0.40 O ATOM 1471 CB ARG B 67 1.396 0.347 -7.265 1.00 0.54 C ATOM 1472 CG ARG B 67 1.278 -0.808 -8.249 1.00 0.74 C ATOM 1473 CD ARG B 67 2.625 -1.432 -8.562 1.00 0.86 C ATOM 1474 NE ARG B 67 3.009 -2.440 -7.579 1.00 1.08 N ATOM 1475 CZ ARG B 67 4.151 -3.120 -7.617 1.00 1.45 C ATOM 1476 NH1 ARG B 67 5.057 -2.859 -8.555 1.00 1.71 N ATOM 1477 NH2 ARG B 67 4.379 -4.063 -6.712 1.00 2.07 N ATOM 0 H ARG B 67 1.051 2.597 -6.265 1.00 0.42 H new ATOM 0 HA ARG B 67 -0.687 0.797 -7.552 1.00 0.44 H new ATOM 0 HB2 ARG B 67 1.903 1.181 -7.750 1.00 0.54 H new ATOM 0 HB3 ARG B 67 2.019 0.040 -6.425 1.00 0.54 H new ATOM 0 HG2 ARG B 67 0.614 -1.568 -7.837 1.00 0.74 H new ATOM 0 HG3 ARG B 67 0.821 -0.452 -9.172 1.00 0.74 H new ATOM 0 HD2 ARG B 67 2.591 -1.887 -9.552 1.00 0.86 H new ATOM 0 HD3 ARG B 67 3.386 -0.652 -8.596 1.00 0.86 H new ATOM 0 HE ARG B 67 2.361 -2.635 -6.816 1.00 1.08 H new ATOM 0 HH11 ARG B 67 4.877 -2.134 -9.250 1.00 1.71 H new ATOM 0 HH12 ARG B 67 5.931 -3.384 -8.580 1.00 1.71 H new ATOM 0 HH21 ARG B 67 3.681 -4.261 -5.995 1.00 2.07 H new ATOM 0 HH22 ARG B 67 5.252 -4.590 -6.733 1.00 2.07 H new ATOM 1491 N LEU B 68 -0.040 0.156 -4.398 1.00 0.36 N ATOM 1492 CA LEU B 68 -0.387 -0.707 -3.269 1.00 0.34 C ATOM 1493 C LEU B 68 -1.899 -0.779 -3.050 1.00 0.31 C ATOM 1494 O LEU B 68 -2.393 -1.712 -2.423 1.00 0.41 O ATOM 1495 CB LEU B 68 0.324 -0.245 -1.990 1.00 0.33 C ATOM 1496 CG LEU B 68 1.807 -0.623 -1.893 1.00 0.41 C ATOM 1497 CD1 LEU B 68 2.383 -0.180 -0.557 1.00 0.37 C ATOM 1498 CD2 LEU B 68 1.996 -2.122 -2.079 1.00 0.62 C ATOM 0 H LEU B 68 0.515 0.975 -4.148 1.00 0.36 H new ATOM 0 HA LEU B 68 -0.044 -1.712 -3.513 1.00 0.34 H new ATOM 0 HB2 LEU B 68 0.237 0.839 -1.916 1.00 0.33 H new ATOM 0 HB3 LEU B 68 -0.198 -0.666 -1.131 1.00 0.33 H new ATOM 0 HG LEU B 68 2.342 -0.108 -2.691 1.00 0.41 H new ATOM 0 HD11 LEU B 68 3.436 -0.456 -0.505 1.00 0.37 H new ATOM 0 HD12 LEU B 68 2.286 0.901 -0.460 1.00 0.37 H new ATOM 0 HD13 LEU B 68 1.840 -0.667 0.253 1.00 0.37 H new ATOM 0 HD21 LEU B 68 3.056 -2.367 -2.006 1.00 0.62 H new ATOM 0 HD22 LEU B 68 1.446 -2.657 -1.305 1.00 0.62 H new ATOM 0 HD23 LEU B 68 1.622 -2.417 -3.059 1.00 0.62 H new ATOM 1510 N LEU B 69 -2.636 0.176 -3.599 1.00 0.27 N ATOM 1511 CA LEU B 69 -4.091 0.125 -3.523 1.00 0.24 C ATOM 1512 C LEU B 69 -4.617 -0.780 -4.630 1.00 0.25 C ATOM 1513 O LEU B 69 -5.474 -1.651 -4.413 1.00 0.26 O ATOM 1514 CB LEU B 69 -4.727 1.521 -3.648 1.00 0.25 C ATOM 1515 CG LEU B 69 -4.846 2.341 -2.353 1.00 0.24 C ATOM 1516 CD1 LEU B 69 -6.285 2.754 -2.117 1.00 0.26 C ATOM 1517 CD2 LEU B 69 -4.325 1.570 -1.153 1.00 0.30 C ATOM 0 H LEU B 69 -2.259 0.984 -4.095 1.00 0.27 H new ATOM 0 HA LEU B 69 -4.364 -0.271 -2.545 1.00 0.24 H new ATOM 0 HB2 LEU B 69 -4.143 2.099 -4.365 1.00 0.25 H new ATOM 0 HB3 LEU B 69 -5.725 1.404 -4.070 1.00 0.25 H new ATOM 0 HG LEU B 69 -4.232 3.233 -2.473 1.00 0.24 H new ATOM 0 HD11 LEU B 69 -6.351 3.334 -1.196 1.00 0.26 H new ATOM 0 HD12 LEU B 69 -6.631 3.361 -2.953 1.00 0.26 H new ATOM 0 HD13 LEU B 69 -6.909 1.865 -2.031 1.00 0.26 H new ATOM 0 HD21 LEU B 69 -4.425 2.181 -0.256 1.00 0.30 H new ATOM 0 HD22 LEU B 69 -4.900 0.652 -1.033 1.00 0.30 H new ATOM 0 HD23 LEU B 69 -3.275 1.322 -1.308 1.00 0.30 H new ATOM 1529 N ASP B 70 -4.026 -0.645 -5.806 1.00 0.30 N ATOM 1530 CA ASP B 70 -4.522 -1.369 -6.960 1.00 0.35 C ATOM 1531 C ASP B 70 -4.274 -2.845 -6.769 1.00 0.38 C ATOM 1532 O ASP B 70 -5.020 -3.675 -7.284 1.00 0.43 O ATOM 1533 CB ASP B 70 -3.884 -0.901 -8.265 1.00 0.43 C ATOM 1534 CG ASP B 70 -4.699 0.167 -8.961 1.00 0.91 C ATOM 1535 OD1 ASP B 70 -5.939 0.022 -9.041 1.00 1.62 O ATOM 1536 OD2 ASP B 70 -4.103 1.137 -9.463 1.00 1.56 O ATOM 0 H ASP B 70 -3.216 -0.051 -5.984 1.00 0.30 H new ATOM 0 HA ASP B 70 -5.591 -1.170 -7.038 1.00 0.35 H new ATOM 0 HB2 ASP B 70 -2.886 -0.515 -8.059 1.00 0.43 H new ATOM 0 HB3 ASP B 70 -3.764 -1.754 -8.933 1.00 0.43 H new ATOM 1541 N GLU B 71 -3.230 -3.178 -6.021 1.00 0.42 N ATOM 1542 CA GLU B 71 -2.970 -4.556 -5.675 1.00 0.50 C ATOM 1543 C GLU B 71 -3.845 -4.996 -4.506 1.00 0.46 C ATOM 1544 O GLU B 71 -4.578 -5.963 -4.637 1.00 0.49 O ATOM 1545 CB GLU B 71 -1.488 -4.754 -5.344 1.00 0.61 C ATOM 1546 CG GLU B 71 -0.562 -4.338 -6.478 1.00 0.94 C ATOM 1547 CD GLU B 71 0.889 -4.689 -6.222 1.00 1.47 C ATOM 1548 OE1 GLU B 71 1.629 -3.836 -5.692 1.00 2.14 O ATOM 1549 OE2 GLU B 71 1.298 -5.813 -6.578 1.00 2.18 O ATOM 0 H GLU B 71 -2.556 -2.510 -5.647 1.00 0.42 H new ATOM 0 HA GLU B 71 -3.218 -5.177 -6.536 1.00 0.50 H new ATOM 0 HB2 GLU B 71 -1.241 -4.179 -4.452 1.00 0.61 H new ATOM 0 HB3 GLU B 71 -1.312 -5.803 -5.106 1.00 0.61 H new ATOM 0 HG2 GLU B 71 -0.888 -4.819 -7.400 1.00 0.94 H new ATOM 0 HG3 GLU B 71 -0.647 -3.262 -6.632 1.00 0.94 H new ATOM 1556 N GLU B 72 -3.813 -4.258 -3.387 1.00 0.43 N ATOM 1557 CA GLU B 72 -4.519 -4.685 -2.169 1.00 0.45 C ATOM 1558 C GLU B 72 -6.030 -4.666 -2.380 1.00 0.42 C ATOM 1559 O GLU B 72 -6.732 -5.595 -1.998 1.00 0.47 O ATOM 1560 CB GLU B 72 -4.162 -3.808 -0.966 1.00 0.46 C ATOM 1561 CG GLU B 72 -4.836 -4.262 0.325 1.00 0.57 C ATOM 1562 CD GLU B 72 -4.318 -5.602 0.818 1.00 0.91 C ATOM 1563 OE1 GLU B 72 -4.609 -6.633 0.172 1.00 1.69 O ATOM 1564 OE2 GLU B 72 -3.617 -5.631 1.852 1.00 1.33 O ATOM 0 H GLU B 72 -3.313 -3.373 -3.299 1.00 0.43 H new ATOM 0 HA GLU B 72 -4.196 -5.705 -1.959 1.00 0.45 H new ATOM 0 HB2 GLU B 72 -3.081 -3.815 -0.827 1.00 0.46 H new ATOM 0 HB3 GLU B 72 -4.450 -2.778 -1.176 1.00 0.46 H new ATOM 0 HG2 GLU B 72 -4.677 -3.509 1.097 1.00 0.57 H new ATOM 0 HG3 GLU B 72 -5.912 -4.330 0.164 1.00 0.57 H new ATOM 1571 N ILE B 73 -6.513 -3.617 -3.032 1.00 0.35 N ATOM 1572 CA ILE B 73 -7.929 -3.512 -3.353 1.00 0.35 C ATOM 1573 C ILE B 73 -8.306 -4.697 -4.213 1.00 0.40 C ATOM 1574 O ILE B 73 -9.361 -5.305 -4.043 1.00 0.45 O ATOM 1575 CB ILE B 73 -8.270 -2.200 -4.097 1.00 0.29 C ATOM 1576 CG1 ILE B 73 -8.195 -1.019 -3.135 1.00 0.27 C ATOM 1577 CG2 ILE B 73 -9.645 -2.274 -4.750 1.00 0.33 C ATOM 1578 CD1 ILE B 73 -8.443 0.315 -3.796 1.00 0.27 C ATOM 0 H ILE B 73 -5.947 -2.829 -3.348 1.00 0.35 H new ATOM 0 HA ILE B 73 -8.494 -3.504 -2.421 1.00 0.35 H new ATOM 0 HB ILE B 73 -7.536 -2.058 -4.890 1.00 0.29 H new ATOM 0 HG12 ILE B 73 -8.926 -1.162 -2.339 1.00 0.27 H new ATOM 0 HG13 ILE B 73 -7.211 -1.005 -2.666 1.00 0.27 H new ATOM 0 HG21 ILE B 73 -9.854 -1.336 -5.265 1.00 0.33 H new ATOM 0 HG22 ILE B 73 -9.663 -3.094 -5.468 1.00 0.33 H new ATOM 0 HG23 ILE B 73 -10.402 -2.445 -3.985 1.00 0.33 H new ATOM 0 HD11 ILE B 73 -8.374 1.108 -3.052 1.00 0.27 H new ATOM 0 HD12 ILE B 73 -7.697 0.480 -4.573 1.00 0.27 H new ATOM 0 HD13 ILE B 73 -9.438 0.321 -4.241 1.00 0.27 H new ATOM 1590 N SER B 74 -7.399 -5.046 -5.107 1.00 0.41 N ATOM 1591 CA SER B 74 -7.609 -6.197 -5.978 1.00 0.49 C ATOM 1592 C SER B 74 -7.596 -7.516 -5.186 1.00 0.54 C ATOM 1593 O SER B 74 -8.351 -8.441 -5.498 1.00 0.60 O ATOM 1594 CB SER B 74 -6.557 -6.238 -7.087 1.00 0.52 C ATOM 1595 OG SER B 74 -6.807 -7.295 -7.998 1.00 1.34 O ATOM 0 H SER B 74 -6.516 -4.556 -5.252 1.00 0.41 H new ATOM 0 HA SER B 74 -8.594 -6.086 -6.431 1.00 0.49 H new ATOM 0 HB2 SER B 74 -6.553 -5.288 -7.622 1.00 0.52 H new ATOM 0 HB3 SER B 74 -5.567 -6.361 -6.647 1.00 0.52 H new ATOM 0 HG SER B 74 -6.119 -7.295 -8.696 1.00 1.34 H new ATOM 1601 N ARG B 75 -6.749 -7.605 -4.162 1.00 0.56 N ATOM 1602 CA ARG B 75 -6.665 -8.817 -3.341 1.00 0.63 C ATOM 1603 C ARG B 75 -7.950 -8.975 -2.566 1.00 0.65 C ATOM 1604 O ARG B 75 -8.614 -10.006 -2.626 1.00 0.72 O ATOM 1605 CB ARG B 75 -5.545 -8.748 -2.302 1.00 0.74 C ATOM 1606 CG ARG B 75 -4.283 -8.046 -2.738 1.00 0.76 C ATOM 1607 CD ARG B 75 -3.339 -8.947 -3.513 1.00 1.26 C ATOM 1608 NE ARG B 75 -3.785 -9.160 -4.891 1.00 1.84 N ATOM 1609 CZ ARG B 75 -3.030 -8.922 -5.964 1.00 2.74 C ATOM 1610 NH1 ARG B 75 -1.792 -8.456 -5.826 1.00 3.06 N ATOM 1611 NH2 ARG B 75 -3.516 -9.151 -7.175 1.00 3.67 N ATOM 0 H ARG B 75 -6.114 -6.859 -3.880 1.00 0.56 H new ATOM 0 HA ARG B 75 -6.475 -9.645 -4.024 1.00 0.63 H new ATOM 0 HB2 ARG B 75 -5.929 -8.245 -1.415 1.00 0.74 H new ATOM 0 HB3 ARG B 75 -5.288 -9.765 -2.005 1.00 0.74 H new ATOM 0 HG2 ARG B 75 -4.547 -7.188 -3.356 1.00 0.76 H new ATOM 0 HG3 ARG B 75 -3.767 -7.659 -1.859 1.00 0.76 H new ATOM 0 HD2 ARG B 75 -2.342 -8.506 -3.520 1.00 1.26 H new ATOM 0 HD3 ARG B 75 -3.259 -9.909 -3.006 1.00 1.26 H new ATOM 0 HE ARG B 75 -4.731 -9.512 -5.039 1.00 1.84 H new ATOM 0 HH11 ARG B 75 -1.415 -8.279 -4.895 1.00 3.06 H new ATOM 0 HH12 ARG B 75 -1.220 -8.276 -6.651 1.00 3.06 H new ATOM 0 HH21 ARG B 75 -4.465 -9.508 -7.284 1.00 3.67 H new ATOM 0 HH22 ARG B 75 -2.941 -8.970 -7.998 1.00 3.67 H new ATOM 1625 N VAL B 76 -8.292 -7.902 -1.871 1.00 0.62 N ATOM 1626 CA VAL B 76 -9.413 -7.869 -0.944 1.00 0.67 C ATOM 1627 C VAL B 76 -10.730 -8.239 -1.629 1.00 0.71 C ATOM 1628 O VAL B 76 -11.592 -8.875 -1.028 1.00 0.84 O ATOM 1629 CB VAL B 76 -9.522 -6.459 -0.315 1.00 0.61 C ATOM 1630 CG1 VAL B 76 -10.779 -6.308 0.517 1.00 0.64 C ATOM 1631 CG2 VAL B 76 -8.296 -6.152 0.529 1.00 0.59 C ATOM 0 H VAL B 76 -7.791 -7.016 -1.936 1.00 0.62 H new ATOM 0 HA VAL B 76 -9.229 -8.610 -0.166 1.00 0.67 H new ATOM 0 HB VAL B 76 -9.578 -5.743 -1.135 1.00 0.61 H new ATOM 0 HG11 VAL B 76 -10.817 -5.304 0.940 1.00 0.64 H new ATOM 0 HG12 VAL B 76 -11.654 -6.469 -0.113 1.00 0.64 H new ATOM 0 HG13 VAL B 76 -10.772 -7.042 1.323 1.00 0.64 H new ATOM 0 HG21 VAL B 76 -8.392 -5.156 0.962 1.00 0.59 H new ATOM 0 HG22 VAL B 76 -8.211 -6.889 1.328 1.00 0.59 H new ATOM 0 HG23 VAL B 76 -7.404 -6.191 -0.097 1.00 0.59 H new ATOM 1641 N ARG B 77 -10.865 -7.867 -2.896 1.00 0.66 N ATOM 1642 CA ARG B 77 -12.104 -8.112 -3.630 1.00 0.73 C ATOM 1643 C ARG B 77 -12.284 -9.596 -3.924 1.00 0.87 C ATOM 1644 O ARG B 77 -13.380 -10.136 -3.786 1.00 0.98 O ATOM 1645 CB ARG B 77 -12.137 -7.317 -4.936 1.00 0.75 C ATOM 1646 CG ARG B 77 -12.214 -5.815 -4.730 1.00 0.80 C ATOM 1647 CD ARG B 77 -12.323 -5.067 -6.049 1.00 0.84 C ATOM 1648 NE ARG B 77 -11.208 -5.351 -6.954 1.00 1.38 N ATOM 1649 CZ ARG B 77 -10.736 -4.478 -7.845 1.00 1.70 C ATOM 1650 NH1 ARG B 77 -11.244 -3.251 -7.922 1.00 1.45 N ATOM 1651 NH2 ARG B 77 -9.750 -4.832 -8.659 1.00 2.73 N ATOM 0 H ARG B 77 -10.138 -7.397 -3.435 1.00 0.66 H new ATOM 0 HA ARG B 77 -12.927 -7.779 -2.997 1.00 0.73 H new ATOM 0 HB2 ARG B 77 -11.245 -7.551 -5.517 1.00 0.75 H new ATOM 0 HB3 ARG B 77 -12.995 -7.639 -5.526 1.00 0.75 H new ATOM 0 HG2 ARG B 77 -13.076 -5.578 -4.106 1.00 0.80 H new ATOM 0 HG3 ARG B 77 -11.328 -5.476 -4.193 1.00 0.80 H new ATOM 0 HD2 ARG B 77 -13.260 -5.335 -6.538 1.00 0.84 H new ATOM 0 HD3 ARG B 77 -12.362 -3.996 -5.852 1.00 0.84 H new ATOM 0 HE ARG B 77 -10.767 -6.269 -6.900 1.00 1.38 H new ATOM 0 HH11 ARG B 77 -12.000 -2.972 -7.297 1.00 1.45 H new ATOM 0 HH12 ARG B 77 -10.877 -2.589 -8.606 1.00 1.45 H new ATOM 0 HH21 ARG B 77 -9.354 -5.770 -8.603 1.00 2.73 H new ATOM 0 HH22 ARG B 77 -9.388 -4.166 -9.341 1.00 2.73 H new ATOM 1665 N LYS B 78 -11.206 -10.253 -4.323 1.00 0.90 N ATOM 1666 CA LYS B 78 -11.269 -11.648 -4.690 1.00 1.08 C ATOM 1667 C LYS B 78 -11.202 -12.535 -3.448 1.00 1.12 C ATOM 1668 O LYS B 78 -11.906 -13.541 -3.354 1.00 1.32 O ATOM 1669 CB LYS B 78 -10.153 -11.959 -5.703 1.00 1.13 C ATOM 1670 CG LYS B 78 -9.711 -13.410 -5.743 1.00 1.35 C ATOM 1671 CD LYS B 78 -8.626 -13.661 -4.718 1.00 2.01 C ATOM 1672 CE LYS B 78 -7.255 -13.281 -5.244 1.00 2.67 C ATOM 1673 NZ LYS B 78 -6.187 -13.609 -4.266 1.00 3.44 N ATOM 0 H LYS B 78 -10.278 -9.836 -4.399 1.00 0.90 H new ATOM 0 HA LYS B 78 -12.223 -11.863 -5.170 1.00 1.08 H new ATOM 0 HB2 LYS B 78 -10.495 -11.671 -6.697 1.00 1.13 H new ATOM 0 HB3 LYS B 78 -9.288 -11.337 -5.471 1.00 1.13 H new ATOM 0 HG2 LYS B 78 -10.563 -14.061 -5.547 1.00 1.35 H new ATOM 0 HG3 LYS B 78 -9.343 -13.657 -6.739 1.00 1.35 H new ATOM 0 HD2 LYS B 78 -8.840 -13.089 -3.815 1.00 2.01 H new ATOM 0 HD3 LYS B 78 -8.628 -14.714 -4.437 1.00 2.01 H new ATOM 0 HE2 LYS B 78 -7.065 -13.805 -6.181 1.00 2.67 H new ATOM 0 HE3 LYS B 78 -7.232 -12.214 -5.465 1.00 2.67 H new ATOM 0 HZ1 LYS B 78 -5.365 -12.993 -4.430 1.00 3.44 H new ATOM 0 HZ2 LYS B 78 -6.543 -13.461 -3.300 1.00 3.44 H new ATOM 0 HZ3 LYS B 78 -5.903 -14.603 -4.382 1.00 3.44 H new ATOM 1687 N ASP B 79 -10.361 -12.154 -2.490 1.00 1.02 N ATOM 1688 CA ASP B 79 -10.189 -12.912 -1.261 1.00 1.20 C ATOM 1689 C ASP B 79 -11.367 -12.765 -0.302 1.00 1.42 C ATOM 1690 O ASP B 79 -11.292 -13.224 0.839 1.00 1.68 O ATOM 1691 CB ASP B 79 -8.904 -12.479 -0.562 1.00 1.24 C ATOM 1692 CG ASP B 79 -7.686 -13.222 -1.061 1.00 1.59 C ATOM 1693 OD1 ASP B 79 -7.476 -14.377 -0.628 1.00 2.21 O ATOM 1694 OD2 ASP B 79 -6.922 -12.659 -1.876 1.00 1.94 O ATOM 0 H ASP B 79 -9.784 -11.315 -2.546 1.00 1.02 H new ATOM 0 HA ASP B 79 -10.133 -13.964 -1.543 1.00 1.20 H new ATOM 0 HB2 ASP B 79 -8.758 -11.409 -0.711 1.00 1.24 H new ATOM 0 HB3 ASP B 79 -9.008 -12.640 0.511 1.00 1.24 H new ATOM 1699 N MET B 80 -12.436 -12.119 -0.751 1.00 1.50 N ATOM 1700 CA MET B 80 -13.657 -12.031 0.040 1.00 1.83 C ATOM 1701 C MET B 80 -14.181 -13.422 0.361 1.00 2.16 C ATOM 1702 O MET B 80 -14.154 -14.319 -0.484 1.00 2.63 O ATOM 1703 CB MET B 80 -14.731 -11.225 -0.693 1.00 2.04 C ATOM 1704 CG MET B 80 -14.514 -9.725 -0.630 1.00 1.58 C ATOM 1705 SD MET B 80 -14.583 -9.091 1.056 1.00 1.43 S ATOM 1706 CE MET B 80 -14.207 -7.364 0.779 1.00 0.99 C ATOM 0 H MET B 80 -12.482 -11.650 -1.656 1.00 1.50 H new ATOM 0 HA MET B 80 -13.417 -11.517 0.971 1.00 1.83 H new ATOM 0 HB2 MET B 80 -14.757 -11.536 -1.737 1.00 2.04 H new ATOM 0 HB3 MET B 80 -15.705 -11.461 -0.265 1.00 2.04 H new ATOM 0 HG2 MET B 80 -13.546 -9.482 -1.067 1.00 1.58 H new ATOM 0 HG3 MET B 80 -15.271 -9.225 -1.234 1.00 1.58 H new ATOM 0 HE1 MET B 80 -13.467 -7.032 1.507 1.00 0.99 H new ATOM 0 HE2 MET B 80 -13.810 -7.235 -0.228 1.00 0.99 H new ATOM 0 HE3 MET B 80 -15.115 -6.772 0.889 1.00 0.99 H new ATOM 1716 N TYR B 81 -14.652 -13.595 1.582 1.00 2.56 N ATOM 1717 CA TYR B 81 -15.092 -14.894 2.055 1.00 3.13 C ATOM 1718 C TYR B 81 -16.548 -15.127 1.691 1.00 3.70 C ATOM 1719 O TYR B 81 -16.808 -15.843 0.703 1.00 4.25 O ATOM 1720 CB TYR B 81 -14.896 -14.999 3.568 1.00 3.71 C ATOM 1721 CG TYR B 81 -13.468 -14.756 4.002 1.00 4.11 C ATOM 1722 CD1 TYR B 81 -13.063 -13.508 4.460 1.00 4.28 C ATOM 1723 CD2 TYR B 81 -12.523 -15.770 3.942 1.00 4.77 C ATOM 1724 CE1 TYR B 81 -11.758 -13.280 4.845 1.00 4.93 C ATOM 1725 CE2 TYR B 81 -11.215 -15.548 4.327 1.00 5.51 C ATOM 1726 CZ TYR B 81 -10.838 -14.302 4.776 1.00 5.53 C ATOM 1727 OH TYR B 81 -9.537 -14.078 5.163 1.00 6.40 O ATOM 1728 OXT TYR B 81 -17.431 -14.581 2.381 1.00 4.07 O ATOM 0 H TYR B 81 -14.740 -12.846 2.269 1.00 2.56 H new ATOM 0 HA TYR B 81 -14.490 -15.663 1.571 1.00 3.13 H new ATOM 0 HB2 TYR B 81 -15.547 -14.278 4.063 1.00 3.71 H new ATOM 0 HB3 TYR B 81 -15.206 -15.990 3.900 1.00 3.71 H new ATOM 0 HD1 TYR B 81 -13.782 -12.704 4.515 1.00 4.28 H new ATOM 0 HD2 TYR B 81 -12.814 -16.748 3.589 1.00 4.77 H new ATOM 0 HE1 TYR B 81 -11.459 -12.304 5.199 1.00 4.93 H new ATOM 0 HE2 TYR B 81 -10.491 -16.348 4.276 1.00 5.51 H new ATOM 0 HH TYR B 81 -9.017 -14.901 5.054 1.00 6.40 H new TER 1738 TYR B 81