USER MOD reduce.3.24.130724 H: found=0, std=0, add=1380, rem=0, adj=45 USER MOD reduce.3.24.130724 removed 1376 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 114 CYS SG : rot 91:sc= 0.253 USER MOD Set 1.2: A 120 GLN : amide:sc= -3.12! C(o=-2.9!,f=-9.1!) USER MOD Set 2.1: A 106 GLN : amide:sc= -3.07! C(o=-6!,f=-9!) USER MOD Set 2.2: A 108 TYR OH : rot 150:sc= -2.97! USER MOD Set 3.1: A 49 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 22 CYS SG : rot -99:sc= 0.681 USER MOD Set 4.2: A 26 CYS SG : rot 114:sc= 0.175! USER MOD Single : A 1 SER N :NH3+ -155:sc= 0.00158 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.119 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= -0.135 USER MOD Single : A 14 ASN :FLIP amide:sc= -1.53! C(o=-3.1!,f=-1.5!) USER MOD Single : A 16 GLN : amide:sc= 0.209 X(o=0.21,f=-0.0057) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 CYS SG : rot 24:sc= 0.168 USER MOD Single : A 31 SER OG : rot -7:sc= 0.125! USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -20:sc= 0.371! USER MOD Single : A 36 CYS SG : rot 180:sc= -1.09 USER MOD Single : A 37 ASN : amide:sc= -2.45! C(o=-2.4!,f=-3.6!) USER MOD Single : A 38 SER OG : rot 51:sc= 1.26 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN :FLIP amide:sc= -0.984 F(o=-2.8!,f=-0.98) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HD1:sc= -0.1 X(o=-0.1,f=-0.25) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 TYR OH : rot 180:sc= -0.0297 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN :FLIP amide:sc= -1.27! C(o=-4.1!,f=-1.3!) USER MOD Single : A 81 SER OG : rot -80:sc= -0.0392 USER MOD Single : A 82 CYS SG : rot 21:sc= 0.364 USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 88 SER OG : rot 45:sc= 0.634 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= -0.726 K(o=-0.73,f=-1.3!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= -2.68! C(o=-2.7!,f=-6.4!) USER MOD Single : A 107 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0.0533 USER MOD Single : A 111 THR OG1 : rot 98:sc= 0.358 USER MOD Single : A 116 SER OG : rot 35:sc= 0.0416 USER MOD Single : A 118 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 122 HIS : no HD1:sc= -0.239 X(o=-0.24,f=-0.45) USER MOD Single : A 127 HIS : no HD1:sc=-0.00846 X(o=-0.0085,f=0) USER MOD Single : A 128 SER OG : rot 17:sc= 0.405 USER MOD Single : A 129 CYS SG : rot 37:sc= -1.85! USER MOD Single : A 130 LYS NZ :NH3+ 161:sc= -0.132 (180deg=-0.725) USER MOD Single : A 135 THR OG1 : rot 4:sc= -0.828! USER MOD Single : A 139 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 ASN :FLIP amide:sc= -0.0673 F(o=-0.58,f=-0.067) USER MOD Single : A 144 TYR OH : rot 180:sc= 0 USER MOD Single : A 148 GLN : amide:sc= -0.572 K(o=-0.57,f=-2.1!) USER MOD Single : A 149 TYR OH : rot 180:sc= -0.0807 USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 LYS NZ :NH3+ -161:sc= -0.0276 (180deg=-0.32) USER MOD Single : A 156 TYR OH : rot -23:sc= -1.28! USER MOD Single : A 158 LYS NZ :NH3+ -159:sc= -0.0722 (180deg=-0.751) USER MOD Single : A 166 SER OG : rot 180:sc= 0 USER MOD Single : A 170 GLN : amide:sc= -0.0543 K(o=-0.054,f=-2.5!) USER MOD Single : A 171 SER OG : rot -132:sc= -0.574! USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -14.538 -16.254 -21.406 1.00 4.50 N ATOM 2 CA SER A 1 -15.397 -15.785 -20.283 1.00 4.52 C ATOM 3 C SER A 1 -14.957 -14.383 -19.855 1.00 3.57 C ATOM 4 O SER A 1 -14.718 -13.518 -20.675 1.00 3.03 O ATOM 5 CB SER A 1 -15.256 -16.746 -19.103 1.00 4.81 C ATOM 6 OG SER A 1 -16.282 -16.477 -18.154 1.00 5.28 O ATOM 0 H1 SER A 1 -15.055 -16.961 -21.966 1.00 4.50 H new ATOM 0 H2 SER A 1 -14.288 -15.447 -22.013 1.00 4.50 H new ATOM 0 H3 SER A 1 -13.670 -16.681 -21.024 1.00 4.50 H new ATOM 0 HA SER A 1 -16.437 -15.755 -20.607 1.00 4.52 H new ATOM 0 HB2 SER A 1 -15.325 -17.777 -19.449 1.00 4.81 H new ATOM 0 HB3 SER A 1 -14.276 -16.630 -18.640 1.00 4.81 H new ATOM 0 HG SER A 1 -16.196 -17.092 -17.396 1.00 5.28 H new ATOM 14 N LYS A 2 -14.848 -14.150 -18.572 1.00 3.60 N ATOM 15 CA LYS A 2 -14.423 -12.805 -18.086 1.00 3.08 C ATOM 16 C LYS A 2 -13.709 -12.954 -16.741 1.00 2.11 C ATOM 17 O LYS A 2 -14.160 -12.456 -15.729 1.00 2.12 O ATOM 18 CB LYS A 2 -15.654 -11.909 -17.920 1.00 3.28 C ATOM 19 CG LYS A 2 -16.286 -11.647 -19.289 1.00 3.95 C ATOM 20 CD LYS A 2 -17.294 -10.503 -19.176 1.00 4.66 C ATOM 21 CE LYS A 2 -18.029 -10.338 -20.508 1.00 5.66 C ATOM 22 NZ LYS A 2 -19.027 -9.235 -20.393 1.00 5.96 N ATOM 0 H LYS A 2 -15.036 -14.835 -17.840 1.00 3.60 H new ATOM 0 HA LYS A 2 -13.744 -12.353 -18.809 1.00 3.08 H new ATOM 0 HB2 LYS A 2 -16.378 -12.387 -17.259 1.00 3.28 H new ATOM 0 HB3 LYS A 2 -15.370 -10.966 -17.453 1.00 3.28 H new ATOM 0 HG2 LYS A 2 -15.514 -11.395 -20.015 1.00 3.95 H new ATOM 0 HG3 LYS A 2 -16.782 -12.548 -19.651 1.00 3.95 H new ATOM 0 HD2 LYS A 2 -18.007 -10.710 -18.378 1.00 4.66 H new ATOM 0 HD3 LYS A 2 -16.782 -9.577 -18.914 1.00 4.66 H new ATOM 0 HE2 LYS A 2 -17.317 -10.117 -21.303 1.00 5.66 H new ATOM 0 HE3 LYS A 2 -18.529 -11.268 -20.777 1.00 5.66 H new ATOM 0 HZ1 LYS A 2 -19.526 -9.123 -21.298 1.00 5.96 H new ATOM 0 HZ2 LYS A 2 -19.713 -9.464 -19.645 1.00 5.96 H new ATOM 0 HZ3 LYS A 2 -18.538 -8.348 -20.155 1.00 5.96 H new ATOM 36 N THR A 3 -12.580 -13.608 -16.732 1.00 1.72 N ATOM 37 CA THR A 3 -11.824 -13.753 -15.456 1.00 1.18 C ATOM 38 C THR A 3 -11.035 -12.464 -15.213 1.00 1.02 C ATOM 39 O THR A 3 -10.526 -11.865 -16.139 1.00 1.63 O ATOM 40 CB THR A 3 -10.814 -14.898 -15.558 1.00 1.48 C ATOM 41 OG1 THR A 3 -10.090 -15.001 -14.339 1.00 2.13 O ATOM 42 CG2 THR A 3 -9.844 -14.627 -16.708 1.00 2.22 C ATOM 0 H THR A 3 -12.151 -14.046 -17.547 1.00 1.72 H new ATOM 0 HA THR A 3 -12.529 -13.955 -14.650 1.00 1.18 H new ATOM 0 HB THR A 3 -11.344 -15.832 -15.746 1.00 1.48 H new ATOM 0 HG1 THR A 3 -9.444 -15.735 -14.403 1.00 2.13 H new ATOM 0 HG21 THR A 3 -9.126 -15.444 -16.778 1.00 2.22 H new ATOM 0 HG22 THR A 3 -10.400 -14.551 -17.643 1.00 2.22 H new ATOM 0 HG23 THR A 3 -9.314 -13.693 -16.524 1.00 2.22 H new ATOM 50 N GLY A 4 -10.919 -12.024 -13.990 1.00 0.52 N ATOM 51 CA GLY A 4 -10.149 -10.768 -13.761 1.00 0.30 C ATOM 52 C GLY A 4 -10.140 -10.361 -12.287 1.00 0.41 C ATOM 53 O GLY A 4 -10.723 -11.002 -11.434 1.00 0.81 O ATOM 0 H GLY A 4 -11.312 -12.466 -13.159 1.00 0.52 H new ATOM 0 HA2 GLY A 4 -9.124 -10.904 -14.106 1.00 0.30 H new ATOM 0 HA3 GLY A 4 -10.582 -9.964 -14.356 1.00 0.30 H new ATOM 57 N GLY A 5 -9.472 -9.275 -12.005 1.00 0.01 N ATOM 58 CA GLY A 5 -9.389 -8.762 -10.609 1.00 0.01 C ATOM 59 C GLY A 5 -10.684 -8.025 -10.260 1.00 0.01 C ATOM 60 O GLY A 5 -11.396 -7.562 -11.127 1.00 0.01 O ATOM 0 H GLY A 5 -8.973 -8.714 -12.695 1.00 0.01 H new ATOM 0 HA2 GLY A 5 -9.229 -9.588 -9.915 1.00 0.01 H new ATOM 0 HA3 GLY A 5 -8.537 -8.090 -10.507 1.00 0.01 H new ATOM 64 N LYS A 6 -10.991 -7.911 -8.995 1.00 0.00 N ATOM 65 CA LYS A 6 -12.242 -7.201 -8.583 1.00 0.01 C ATOM 66 C LYS A 6 -12.033 -6.468 -7.257 1.00 0.01 C ATOM 67 O LYS A 6 -11.487 -7.000 -6.311 1.00 0.00 O ATOM 68 CB LYS A 6 -13.389 -8.203 -8.430 1.00 0.02 C ATOM 69 CG LYS A 6 -14.722 -7.453 -8.372 1.00 0.02 C ATOM 70 CD LYS A 6 -15.824 -8.400 -7.891 1.00 0.02 C ATOM 71 CE LYS A 6 -16.024 -9.523 -8.913 1.00 0.02 C ATOM 72 NZ LYS A 6 -17.339 -10.183 -8.676 1.00 0.02 N ATOM 0 H LYS A 6 -10.430 -8.279 -8.227 1.00 0.00 H new ATOM 0 HA LYS A 6 -12.492 -6.474 -9.356 1.00 0.01 H new ATOM 0 HB2 LYS A 6 -13.389 -8.901 -9.267 1.00 0.02 H new ATOM 0 HB3 LYS A 6 -13.252 -8.792 -7.523 1.00 0.02 H new ATOM 0 HG2 LYS A 6 -14.642 -6.600 -7.698 1.00 0.02 H new ATOM 0 HG3 LYS A 6 -14.972 -7.059 -9.357 1.00 0.02 H new ATOM 0 HD2 LYS A 6 -15.557 -8.821 -6.922 1.00 0.02 H new ATOM 0 HD3 LYS A 6 -16.755 -7.850 -7.754 1.00 0.02 H new ATOM 0 HE2 LYS A 6 -15.985 -9.119 -9.925 1.00 0.02 H new ATOM 0 HE3 LYS A 6 -15.219 -10.253 -8.829 1.00 0.02 H new ATOM 0 HZ1 LYS A 6 -17.475 -10.946 -9.370 1.00 0.02 H new ATOM 0 HZ2 LYS A 6 -17.359 -10.581 -7.716 1.00 0.02 H new ATOM 0 HZ3 LYS A 6 -18.102 -9.483 -8.777 1.00 0.02 H new ATOM 86 N ILE A 7 -12.494 -5.244 -7.194 1.00 0.02 N ATOM 87 CA ILE A 7 -12.377 -4.427 -5.945 1.00 0.00 C ATOM 88 C ILE A 7 -13.760 -3.855 -5.619 1.00 0.02 C ATOM 89 O ILE A 7 -14.485 -3.437 -6.500 1.00 0.01 O ATOM 90 CB ILE A 7 -11.346 -3.313 -6.150 1.00 0.02 C ATOM 91 CG1 ILE A 7 -11.408 -2.330 -4.978 1.00 0.02 C ATOM 92 CG2 ILE A 7 -11.638 -2.570 -7.450 1.00 0.01 C ATOM 93 CD1 ILE A 7 -10.202 -1.386 -5.038 1.00 0.02 C ATOM 0 H ILE A 7 -12.955 -4.767 -7.969 1.00 0.02 H new ATOM 0 HA ILE A 7 -12.037 -5.040 -5.111 1.00 0.00 H new ATOM 0 HB ILE A 7 -10.351 -3.755 -6.202 1.00 0.02 H new ATOM 0 HG12 ILE A 7 -12.334 -1.757 -5.019 1.00 0.02 H new ATOM 0 HG13 ILE A 7 -11.411 -2.874 -4.033 1.00 0.02 H new ATOM 0 HG21 ILE A 7 -10.901 -1.779 -7.590 1.00 0.01 H new ATOM 0 HG22 ILE A 7 -11.586 -3.267 -8.287 1.00 0.01 H new ATOM 0 HG23 ILE A 7 -12.635 -2.133 -7.403 1.00 0.01 H new ATOM 0 HD11 ILE A 7 -10.246 -0.686 -4.204 1.00 0.02 H new ATOM 0 HD12 ILE A 7 -9.282 -1.967 -4.976 1.00 0.02 H new ATOM 0 HD13 ILE A 7 -10.219 -0.833 -5.977 1.00 0.02 H new ATOM 105 N SER A 8 -14.134 -3.836 -4.361 1.00 0.02 N ATOM 106 CA SER A 8 -15.479 -3.295 -3.966 1.00 0.02 C ATOM 107 C SER A 8 -15.313 -2.119 -2.999 1.00 0.01 C ATOM 108 O SER A 8 -14.624 -2.216 -2.005 1.00 0.02 O ATOM 109 CB SER A 8 -16.303 -4.388 -3.282 1.00 0.30 C ATOM 110 OG SER A 8 -16.178 -5.597 -4.018 1.00 0.39 O ATOM 0 H SER A 8 -13.564 -4.173 -3.585 1.00 0.02 H new ATOM 0 HA SER A 8 -15.992 -2.957 -4.866 1.00 0.02 H new ATOM 0 HB2 SER A 8 -15.957 -4.534 -2.259 1.00 0.30 H new ATOM 0 HB3 SER A 8 -17.350 -4.089 -3.225 1.00 0.30 H new ATOM 0 HG SER A 8 -16.703 -6.301 -3.583 1.00 0.39 H new ATOM 116 N PHE A 9 -15.964 -1.012 -3.283 1.00 0.02 N ATOM 117 CA PHE A 9 -15.885 0.188 -2.388 1.00 0.01 C ATOM 118 C PHE A 9 -17.242 0.388 -1.698 1.00 0.01 C ATOM 119 O PHE A 9 -18.282 0.220 -2.309 1.00 0.02 O ATOM 120 CB PHE A 9 -15.569 1.437 -3.223 1.00 0.02 C ATOM 121 CG PHE A 9 -14.480 1.141 -4.227 1.00 0.01 C ATOM 122 CD1 PHE A 9 -14.786 0.450 -5.404 1.00 0.01 C ATOM 123 CD2 PHE A 9 -13.169 1.574 -3.991 1.00 0.01 C ATOM 124 CE1 PHE A 9 -13.782 0.188 -6.343 1.00 0.02 C ATOM 125 CE2 PHE A 9 -12.165 1.314 -4.931 1.00 0.02 C ATOM 126 CZ PHE A 9 -12.473 0.621 -6.108 1.00 0.02 C ATOM 0 H PHE A 9 -16.553 -0.889 -4.107 1.00 0.02 H new ATOM 0 HA PHE A 9 -15.101 0.034 -1.646 1.00 0.01 H new ATOM 0 HB2 PHE A 9 -16.468 1.772 -3.741 1.00 0.02 H new ATOM 0 HB3 PHE A 9 -15.256 2.250 -2.568 1.00 0.02 H new ATOM 0 HD1 PHE A 9 -15.797 0.119 -5.588 1.00 0.01 H new ATOM 0 HD2 PHE A 9 -12.933 2.109 -3.083 1.00 0.01 H new ATOM 0 HE1 PHE A 9 -14.018 -0.349 -7.250 1.00 0.02 H new ATOM 0 HE2 PHE A 9 -11.154 1.647 -4.749 1.00 0.02 H new ATOM 0 HZ PHE A 9 -11.700 0.421 -6.835 1.00 0.02 H new ATOM 136 N TYR A 10 -17.247 0.744 -0.433 1.00 0.02 N ATOM 137 CA TYR A 10 -18.542 0.954 0.300 1.00 0.01 C ATOM 138 C TYR A 10 -18.594 2.388 0.835 1.00 0.02 C ATOM 139 O TYR A 10 -17.610 2.919 1.315 1.00 0.01 O ATOM 140 CB TYR A 10 -18.627 -0.024 1.476 1.00 0.02 C ATOM 141 CG TYR A 10 -18.215 -1.408 1.029 1.00 0.02 C ATOM 142 CD1 TYR A 10 -16.868 -1.686 0.767 1.00 0.02 C ATOM 143 CD2 TYR A 10 -19.177 -2.416 0.879 1.00 0.00 C ATOM 144 CE1 TYR A 10 -16.482 -2.969 0.361 1.00 0.02 C ATOM 145 CE2 TYR A 10 -18.790 -3.699 0.473 1.00 0.02 C ATOM 146 CZ TYR A 10 -17.444 -3.974 0.209 1.00 0.00 C ATOM 147 OH TYR A 10 -17.062 -5.238 -0.193 1.00 0.02 O ATOM 0 H TYR A 10 -16.408 0.899 0.126 1.00 0.02 H new ATOM 0 HA TYR A 10 -19.377 0.783 -0.380 1.00 0.01 H new ATOM 0 HB2 TYR A 10 -17.981 0.313 2.287 1.00 0.02 H new ATOM 0 HB3 TYR A 10 -19.644 -0.047 1.868 1.00 0.02 H new ATOM 0 HD1 TYR A 10 -16.126 -0.910 0.878 1.00 0.02 H new ATOM 0 HD2 TYR A 10 -20.217 -2.203 1.077 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -15.442 -3.183 0.165 1.00 0.02 H new ATOM 0 HE2 TYR A 10 -19.531 -4.477 0.364 1.00 0.02 H new ATOM 0 HH TYR A 10 -17.851 -5.816 -0.248 1.00 0.02 H new ATOM 157 N GLU A 11 -19.728 3.036 0.727 1.00 0.00 N ATOM 158 CA GLU A 11 -19.825 4.446 1.195 1.00 0.02 C ATOM 159 C GLU A 11 -19.747 4.538 2.720 1.00 0.03 C ATOM 160 O GLU A 11 -19.318 5.545 3.248 1.00 0.03 O ATOM 161 CB GLU A 11 -21.155 5.040 0.731 1.00 0.00 C ATOM 162 CG GLU A 11 -21.135 5.207 -0.790 1.00 0.00 C ATOM 163 CD GLU A 11 -22.397 5.946 -1.241 1.00 0.02 C ATOM 164 OE1 GLU A 11 -23.440 5.706 -0.657 1.00 0.01 O ATOM 165 OE2 GLU A 11 -22.299 6.739 -2.161 1.00 0.02 O ATOM 0 H GLU A 11 -20.586 2.648 0.336 1.00 0.00 H new ATOM 0 HA GLU A 11 -18.986 5.000 0.773 1.00 0.02 H new ATOM 0 HB2 GLU A 11 -21.979 4.390 1.026 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -21.323 6.004 1.211 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -20.248 5.763 -1.093 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -21.081 4.231 -1.273 1.00 0.00 H new ATOM 172 N ASP A 12 -20.153 3.515 3.443 1.00 0.02 N ATOM 173 CA ASP A 12 -20.093 3.580 4.941 1.00 0.01 C ATOM 174 C ASP A 12 -19.073 2.566 5.471 1.00 0.02 C ATOM 175 O ASP A 12 -18.568 1.728 4.750 1.00 0.02 O ATOM 176 CB ASP A 12 -21.469 3.254 5.529 1.00 0.01 C ATOM 177 CG ASP A 12 -21.509 3.662 7.004 1.00 0.01 C ATOM 178 OD1 ASP A 12 -21.415 4.847 7.273 1.00 0.02 O ATOM 179 OD2 ASP A 12 -21.632 2.780 7.838 1.00 0.03 O ATOM 0 H ASP A 12 -20.521 2.643 3.062 1.00 0.02 H new ATOM 0 HA ASP A 12 -19.794 4.586 5.235 1.00 0.01 H new ATOM 0 HB2 ASP A 12 -22.246 3.780 4.975 1.00 0.01 H new ATOM 0 HB3 ASP A 12 -21.674 2.188 5.431 1.00 0.01 H new ATOM 184 N ARG A 13 -18.769 2.664 6.733 1.00 0.02 N ATOM 185 CA ARG A 13 -17.778 1.745 7.364 1.00 0.02 C ATOM 186 C ARG A 13 -18.399 0.361 7.587 1.00 0.00 C ATOM 187 O ARG A 13 -19.600 0.209 7.681 1.00 0.02 O ATOM 188 CB ARG A 13 -17.370 2.344 8.715 1.00 0.00 C ATOM 189 CG ARG A 13 -17.201 3.859 8.572 1.00 0.01 C ATOM 190 CD ARG A 13 -16.433 4.407 9.778 1.00 0.02 C ATOM 191 NE ARG A 13 -16.425 5.897 9.725 1.00 0.03 N ATOM 192 CZ ARG A 13 -16.088 6.588 10.779 1.00 0.02 C ATOM 193 NH1 ARG A 13 -15.769 5.975 11.886 1.00 0.02 N ATOM 194 NH2 ARG A 13 -16.073 7.892 10.726 1.00 0.02 N ATOM 0 H ARG A 13 -19.172 3.354 7.367 1.00 0.02 H new ATOM 0 HA ARG A 13 -16.911 1.633 6.713 1.00 0.02 H new ATOM 0 HB2 ARG A 13 -18.127 2.121 9.467 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -16.438 1.894 9.058 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -16.665 4.090 7.651 1.00 0.01 H new ATOM 0 HG3 ARG A 13 -18.177 4.339 8.501 1.00 0.01 H new ATOM 0 HD2 ARG A 13 -16.898 4.068 10.704 1.00 0.02 H new ATOM 0 HD3 ARG A 13 -15.412 4.027 9.776 1.00 0.02 H new ATOM 0 HE ARG A 13 -16.684 6.377 8.863 1.00 0.03 H new ATOM 0 HH11 ARG A 13 -15.783 4.956 11.927 1.00 0.02 H new ATOM 0 HH12 ARG A 13 -15.505 6.515 12.710 1.00 0.02 H new ATOM 0 HH21 ARG A 13 -16.325 8.370 9.861 1.00 0.02 H new ATOM 0 HH22 ARG A 13 -15.810 8.433 11.550 1.00 0.02 H new ATOM 208 N ASN A 14 -17.566 -0.644 7.694 1.00 0.02 N ATOM 209 CA ASN A 14 -18.060 -2.034 7.938 1.00 0.02 C ATOM 210 C ASN A 14 -18.860 -2.559 6.740 1.00 0.02 C ATOM 211 O ASN A 14 -19.786 -3.335 6.879 1.00 0.02 O ATOM 212 CB ASN A 14 -18.918 -2.045 9.208 1.00 0.26 C ATOM 213 CG ASN A 14 -18.319 -1.084 10.236 1.00 0.12 C ATOM 214 OD1 ASN A 14 -17.054 -0.774 10.160 1.00 0.74 O flip ATOM 215 ND2 ASN A 14 -19.008 -0.614 11.118 1.00 0.46 N flip ATOM 0 H ASN A 14 -16.552 -0.559 7.622 1.00 0.02 H new ATOM 0 HA ASN A 14 -17.204 -2.695 8.070 1.00 0.02 H new ATOM 0 HB2 ASN A 14 -19.940 -1.750 8.972 1.00 0.26 H new ATOM 0 HB3 ASN A 14 -18.964 -3.053 9.620 1.00 0.26 H new ATOM 0 HD21 ASN A 14 -19.997 -0.857 11.177 1.00 0.46 H new ATOM 0 HD22 ASN A 14 -18.598 0.024 11.800 1.00 0.46 H new ATOM 222 N PHE A 15 -18.465 -2.158 5.563 1.00 0.02 N ATOM 223 CA PHE A 15 -19.137 -2.634 4.316 1.00 0.02 C ATOM 224 C PHE A 15 -20.642 -2.355 4.353 1.00 0.00 C ATOM 225 O PHE A 15 -21.443 -3.165 3.934 1.00 0.02 O ATOM 226 CB PHE A 15 -18.902 -4.146 4.157 1.00 0.02 C ATOM 227 CG PHE A 15 -17.553 -4.518 4.726 1.00 0.02 C ATOM 228 CD1 PHE A 15 -16.391 -4.293 3.978 1.00 0.02 C ATOM 229 CD2 PHE A 15 -17.464 -5.089 6.001 1.00 0.02 C ATOM 230 CE1 PHE A 15 -15.143 -4.638 4.505 1.00 0.02 C ATOM 231 CE2 PHE A 15 -16.215 -5.435 6.528 1.00 0.02 C ATOM 232 CZ PHE A 15 -15.054 -5.210 5.780 1.00 0.02 C ATOM 0 H PHE A 15 -17.693 -1.510 5.408 1.00 0.02 H new ATOM 0 HA PHE A 15 -18.711 -2.094 3.470 1.00 0.02 H new ATOM 0 HB2 PHE A 15 -19.688 -4.701 4.669 1.00 0.02 H new ATOM 0 HB3 PHE A 15 -18.951 -4.422 3.104 1.00 0.02 H new ATOM 0 HD1 PHE A 15 -16.459 -3.853 2.994 1.00 0.02 H new ATOM 0 HD2 PHE A 15 -18.360 -5.263 6.578 1.00 0.02 H new ATOM 0 HE1 PHE A 15 -14.247 -4.463 3.928 1.00 0.02 H new ATOM 0 HE2 PHE A 15 -16.147 -5.876 7.512 1.00 0.02 H new ATOM 0 HZ PHE A 15 -14.090 -5.477 6.186 1.00 0.02 H new ATOM 242 N GLN A 16 -21.020 -1.202 4.834 1.00 0.02 N ATOM 243 CA GLN A 16 -22.466 -0.827 4.891 1.00 0.02 C ATOM 244 C GLN A 16 -22.696 0.335 3.921 1.00 0.02 C ATOM 245 O GLN A 16 -21.760 0.961 3.462 1.00 0.02 O ATOM 246 CB GLN A 16 -22.816 -0.378 6.314 1.00 0.02 C ATOM 247 CG GLN A 16 -22.971 -1.606 7.216 1.00 0.00 C ATOM 248 CD GLN A 16 -23.054 -1.160 8.677 1.00 0.00 C ATOM 249 OE1 GLN A 16 -23.993 -1.490 9.373 1.00 0.02 O ATOM 250 NE2 GLN A 16 -22.103 -0.415 9.174 1.00 0.02 N ATOM 0 H GLN A 16 -20.381 -0.493 5.195 1.00 0.02 H new ATOM 0 HA GLN A 16 -23.091 -1.677 4.618 1.00 0.02 H new ATOM 0 HB2 GLN A 16 -22.035 0.275 6.703 1.00 0.02 H new ATOM 0 HB3 GLN A 16 -23.740 0.200 6.307 1.00 0.02 H new ATOM 0 HG2 GLN A 16 -23.869 -2.160 6.942 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -22.126 -2.280 7.078 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -21.314 -0.138 8.590 1.00 0.02 H new ATOM 0 HE22 GLN A 16 -22.149 -0.111 10.146 1.00 0.02 H new ATOM 259 N GLY A 17 -23.927 0.631 3.599 1.00 0.03 N ATOM 260 CA GLY A 17 -24.196 1.757 2.657 1.00 0.03 C ATOM 261 C GLY A 17 -24.176 1.267 1.205 1.00 0.02 C ATOM 262 O GLY A 17 -24.191 0.082 0.936 1.00 0.02 O ATOM 0 H GLY A 17 -24.754 0.145 3.945 1.00 0.03 H new ATOM 0 HA2 GLY A 17 -25.165 2.202 2.882 1.00 0.03 H new ATOM 0 HA3 GLY A 17 -23.447 2.538 2.793 1.00 0.03 H new ATOM 266 N ARG A 18 -24.136 2.177 0.272 1.00 0.00 N ATOM 267 CA ARG A 18 -24.104 1.788 -1.168 1.00 0.02 C ATOM 268 C ARG A 18 -22.763 1.126 -1.482 1.00 0.02 C ATOM 269 O ARG A 18 -21.729 1.520 -0.979 1.00 0.02 O ATOM 270 CB ARG A 18 -24.269 3.046 -2.027 1.00 0.79 C ATOM 271 CG ARG A 18 -24.554 2.654 -3.487 1.00 1.49 C ATOM 272 CD ARG A 18 -26.050 2.303 -3.676 1.00 1.42 C ATOM 273 NE ARG A 18 -26.184 1.054 -4.490 1.00 2.07 N ATOM 274 CZ ARG A 18 -25.509 0.889 -5.599 1.00 2.35 C ATOM 275 NH1 ARG A 18 -24.779 1.857 -6.079 1.00 2.53 N ATOM 276 NH2 ARG A 18 -25.590 -0.242 -6.245 1.00 2.76 N ATOM 0 H ARG A 18 -24.124 3.182 0.446 1.00 0.00 H new ATOM 0 HA ARG A 18 -24.912 1.088 -1.383 1.00 0.02 H new ATOM 0 HB2 ARG A 18 -25.085 3.656 -1.640 1.00 0.79 H new ATOM 0 HB3 ARG A 18 -23.365 3.653 -1.975 1.00 0.79 H new ATOM 0 HG2 ARG A 18 -24.281 3.476 -4.149 1.00 1.49 H new ATOM 0 HG3 ARG A 18 -23.937 1.800 -3.767 1.00 1.49 H new ATOM 0 HD2 ARG A 18 -26.526 2.167 -2.705 1.00 1.42 H new ATOM 0 HD3 ARG A 18 -26.566 3.126 -4.171 1.00 1.42 H new ATOM 0 HE ARG A 18 -26.814 0.317 -4.174 1.00 2.07 H new ATOM 0 HH11 ARG A 18 -24.731 2.751 -5.590 1.00 2.53 H new ATOM 0 HH12 ARG A 18 -24.256 1.721 -6.944 1.00 2.53 H new ATOM 0 HH21 ARG A 18 -26.178 -0.994 -5.885 1.00 2.76 H new ATOM 0 HH22 ARG A 18 -25.065 -0.374 -7.110 1.00 2.76 H new ATOM 290 N ARG A 19 -22.782 0.104 -2.307 1.00 0.02 N ATOM 291 CA ARG A 19 -21.527 -0.628 -2.665 1.00 0.02 C ATOM 292 C ARG A 19 -21.319 -0.592 -4.181 1.00 0.02 C ATOM 293 O ARG A 19 -22.261 -0.574 -4.950 1.00 0.02 O ATOM 294 CB ARG A 19 -21.670 -2.088 -2.223 1.00 0.85 C ATOM 295 CG ARG A 19 -20.339 -2.827 -2.401 1.00 1.31 C ATOM 296 CD ARG A 19 -20.545 -4.324 -2.145 1.00 1.34 C ATOM 297 NE ARG A 19 -21.179 -4.950 -3.340 1.00 1.50 N ATOM 298 CZ ARG A 19 -21.183 -6.248 -3.471 1.00 1.63 C ATOM 299 NH1 ARG A 19 -20.626 -6.994 -2.556 1.00 1.72 N ATOM 300 NH2 ARG A 19 -21.741 -6.800 -4.513 1.00 1.89 N ATOM 0 H ARG A 19 -23.626 -0.257 -2.752 1.00 0.02 H new ATOM 0 HA ARG A 19 -20.677 -0.158 -2.171 1.00 0.02 H new ATOM 0 HB2 ARG A 19 -21.982 -2.131 -1.179 1.00 0.85 H new ATOM 0 HB3 ARG A 19 -22.448 -2.578 -2.808 1.00 0.85 H new ATOM 0 HG2 ARG A 19 -19.956 -2.669 -3.409 1.00 1.31 H new ATOM 0 HG3 ARG A 19 -19.595 -2.429 -1.711 1.00 1.31 H new ATOM 0 HD2 ARG A 19 -19.589 -4.803 -1.935 1.00 1.34 H new ATOM 0 HD3 ARG A 19 -21.175 -4.470 -1.267 1.00 1.34 H new ATOM 0 HE ARG A 19 -21.610 -4.364 -4.055 1.00 1.50 H new ATOM 0 HH11 ARG A 19 -20.189 -6.562 -1.742 1.00 1.72 H new ATOM 0 HH12 ARG A 19 -20.627 -8.009 -2.655 1.00 1.72 H new ATOM 0 HH21 ARG A 19 -22.176 -6.216 -5.228 1.00 1.89 H new ATOM 0 HH22 ARG A 19 -21.743 -7.815 -4.613 1.00 1.89 H new ATOM 314 N TYR A 20 -20.083 -0.619 -4.612 1.00 0.02 N ATOM 315 CA TYR A 20 -19.789 -0.629 -6.082 1.00 0.02 C ATOM 316 C TYR A 20 -18.662 -1.616 -6.374 1.00 0.02 C ATOM 317 O TYR A 20 -17.650 -1.619 -5.707 1.00 0.02 O ATOM 318 CB TYR A 20 -19.386 0.763 -6.575 1.00 0.02 C ATOM 319 CG TYR A 20 -19.588 0.819 -8.074 1.00 0.01 C ATOM 320 CD1 TYR A 20 -18.664 0.204 -8.924 1.00 0.01 C ATOM 321 CD2 TYR A 20 -20.700 1.479 -8.607 1.00 0.02 C ATOM 322 CE1 TYR A 20 -18.849 0.248 -10.311 1.00 0.02 C ATOM 323 CE2 TYR A 20 -20.887 1.526 -9.994 1.00 0.02 C ATOM 324 CZ TYR A 20 -19.961 0.911 -10.847 1.00 0.02 C ATOM 325 OH TYR A 20 -20.144 0.956 -12.214 1.00 0.01 O ATOM 0 H TYR A 20 -19.261 -0.635 -4.009 1.00 0.02 H new ATOM 0 HA TYR A 20 -20.695 -0.932 -6.607 1.00 0.02 H new ATOM 0 HB2 TYR A 20 -19.987 1.528 -6.083 1.00 0.02 H new ATOM 0 HB3 TYR A 20 -18.345 0.966 -6.325 1.00 0.02 H new ATOM 0 HD1 TYR A 20 -17.806 -0.306 -8.510 1.00 0.01 H new ATOM 0 HD2 TYR A 20 -21.414 1.952 -7.949 1.00 0.02 H new ATOM 0 HE1 TYR A 20 -18.136 -0.228 -10.967 1.00 0.02 H new ATOM 0 HE2 TYR A 20 -21.745 2.036 -10.406 1.00 0.02 H new ATOM 0 HH TYR A 20 -20.964 1.453 -12.418 1.00 0.01 H new ATOM 335 N ASP A 21 -18.816 -2.438 -7.380 1.00 0.01 N ATOM 336 CA ASP A 21 -17.746 -3.423 -7.742 1.00 0.02 C ATOM 337 C ASP A 21 -17.098 -2.989 -9.061 1.00 0.00 C ATOM 338 O ASP A 21 -17.769 -2.605 -9.998 1.00 0.01 O ATOM 339 CB ASP A 21 -18.390 -4.800 -7.920 1.00 0.12 C ATOM 340 CG ASP A 21 -18.738 -5.384 -6.550 1.00 0.41 C ATOM 341 OD1 ASP A 21 -19.095 -4.614 -5.674 1.00 0.56 O ATOM 342 OD2 ASP A 21 -18.645 -6.593 -6.400 1.00 1.12 O ATOM 0 H ASP A 21 -19.645 -2.471 -7.974 1.00 0.01 H new ATOM 0 HA ASP A 21 -16.989 -3.466 -6.959 1.00 0.02 H new ATOM 0 HB2 ASP A 21 -19.289 -4.716 -8.530 1.00 0.12 H new ATOM 0 HB3 ASP A 21 -17.708 -5.466 -8.448 1.00 0.12 H new ATOM 347 N CYS A 22 -15.784 -3.041 -9.130 1.00 0.01 N ATOM 348 CA CYS A 22 -15.059 -2.624 -10.377 1.00 0.00 C ATOM 349 C CYS A 22 -14.119 -3.748 -10.809 1.00 0.02 C ATOM 350 O CYS A 22 -13.462 -4.367 -9.992 1.00 0.01 O ATOM 351 CB CYS A 22 -14.253 -1.351 -10.095 1.00 0.00 C ATOM 352 SG CYS A 22 -13.897 -0.504 -11.655 1.00 0.02 S ATOM 0 H CYS A 22 -15.180 -3.357 -8.371 1.00 0.01 H new ATOM 0 HA CYS A 22 -15.776 -2.425 -11.174 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -14.813 -0.693 -9.431 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -13.323 -1.602 -9.585 1.00 0.00 H new ATOM 0 HG CYS A 22 -12.688 -0.791 -12.038 1.00 0.02 H new ATOM 358 N ASP A 23 -14.061 -4.024 -12.091 1.00 0.01 N ATOM 359 CA ASP A 23 -13.179 -5.118 -12.610 1.00 0.02 C ATOM 360 C ASP A 23 -12.126 -4.552 -13.574 1.00 0.00 C ATOM 361 O ASP A 23 -11.447 -5.293 -14.255 1.00 0.02 O ATOM 362 CB ASP A 23 -14.046 -6.141 -13.348 1.00 0.16 C ATOM 363 CG ASP A 23 -14.768 -5.456 -14.509 1.00 0.17 C ATOM 364 OD1 ASP A 23 -14.191 -5.387 -15.581 1.00 0.20 O ATOM 365 OD2 ASP A 23 -15.885 -5.011 -14.306 1.00 0.17 O ATOM 0 H ASP A 23 -14.594 -3.532 -12.808 1.00 0.01 H new ATOM 0 HA ASP A 23 -12.664 -5.590 -11.773 1.00 0.02 H new ATOM 0 HB2 ASP A 23 -13.426 -6.956 -13.722 1.00 0.16 H new ATOM 0 HB3 ASP A 23 -14.771 -6.580 -12.663 1.00 0.16 H new ATOM 370 N CYS A 24 -11.967 -3.251 -13.638 1.00 0.01 N ATOM 371 CA CYS A 24 -10.940 -2.667 -14.558 1.00 0.01 C ATOM 372 C CYS A 24 -10.588 -1.251 -14.078 1.00 0.01 C ATOM 373 O CYS A 24 -11.189 -0.739 -13.156 1.00 0.01 O ATOM 374 CB CYS A 24 -11.506 -2.609 -15.981 1.00 0.62 C ATOM 375 SG CYS A 24 -11.399 -4.247 -16.743 1.00 1.23 S ATOM 0 H CYS A 24 -12.501 -2.572 -13.096 1.00 0.01 H new ATOM 0 HA CYS A 24 -10.043 -3.286 -14.556 1.00 0.01 H new ATOM 0 HB2 CYS A 24 -12.543 -2.275 -15.957 1.00 0.62 H new ATOM 0 HB3 CYS A 24 -10.951 -1.883 -16.575 1.00 0.62 H new ATOM 0 HG CYS A 24 -11.369 -5.156 -15.815 1.00 1.23 H new ATOM 381 N ASP A 25 -9.620 -0.610 -14.685 1.00 0.02 N ATOM 382 CA ASP A 25 -9.236 0.768 -14.250 1.00 0.01 C ATOM 383 C ASP A 25 -10.408 1.733 -14.438 1.00 0.02 C ATOM 384 O ASP A 25 -11.174 1.624 -15.376 1.00 0.00 O ATOM 385 CB ASP A 25 -8.067 1.251 -15.110 1.00 0.01 C ATOM 386 CG ASP A 25 -6.906 0.261 -14.994 1.00 0.01 C ATOM 387 OD1 ASP A 25 -7.153 -0.871 -14.614 1.00 0.01 O ATOM 388 OD2 ASP A 25 -5.789 0.653 -15.284 1.00 0.01 O ATOM 0 H ASP A 25 -9.078 -0.983 -15.465 1.00 0.02 H new ATOM 0 HA ASP A 25 -8.957 0.741 -13.197 1.00 0.01 H new ATOM 0 HB2 ASP A 25 -8.380 1.341 -16.150 1.00 0.01 H new ATOM 0 HB3 ASP A 25 -7.748 2.242 -14.786 1.00 0.01 H new ATOM 393 N CYS A 26 -10.530 2.701 -13.560 1.00 0.01 N ATOM 394 CA CYS A 26 -11.626 3.718 -13.678 1.00 0.01 C ATOM 395 C CYS A 26 -11.027 5.120 -13.460 1.00 0.01 C ATOM 396 O CYS A 26 -10.486 5.415 -12.412 1.00 0.01 O ATOM 397 CB CYS A 26 -12.703 3.435 -12.628 1.00 0.01 C ATOM 398 SG CYS A 26 -13.794 2.123 -13.229 1.00 0.02 S ATOM 0 H CYS A 26 -9.912 2.831 -12.759 1.00 0.01 H new ATOM 0 HA CYS A 26 -12.080 3.666 -14.667 1.00 0.01 H new ATOM 0 HB2 CYS A 26 -12.240 3.137 -11.687 1.00 0.01 H new ATOM 0 HB3 CYS A 26 -13.278 4.339 -12.428 1.00 0.01 H new ATOM 0 HG CYS A 26 -13.658 1.069 -12.480 1.00 0.02 H new ATOM 404 N ALA A 27 -11.086 5.966 -14.459 1.00 0.01 N ATOM 405 CA ALA A 27 -10.477 7.328 -14.337 1.00 0.01 C ATOM 406 C ALA A 27 -11.365 8.282 -13.526 1.00 0.01 C ATOM 407 O ALA A 27 -10.903 9.290 -13.031 1.00 0.02 O ATOM 408 CB ALA A 27 -10.265 7.906 -15.737 1.00 0.24 C ATOM 0 H ALA A 27 -11.531 5.772 -15.356 1.00 0.01 H new ATOM 0 HA ALA A 27 -9.527 7.228 -13.811 1.00 0.01 H new ATOM 0 HB1 ALA A 27 -9.822 8.899 -15.658 1.00 0.24 H new ATOM 0 HB2 ALA A 27 -9.598 7.255 -16.302 1.00 0.24 H new ATOM 0 HB3 ALA A 27 -11.224 7.977 -16.250 1.00 0.24 H new ATOM 414 N ASP A 28 -12.631 8.001 -13.398 1.00 0.01 N ATOM 415 CA ASP A 28 -13.522 8.930 -12.629 1.00 0.02 C ATOM 416 C ASP A 28 -14.670 8.140 -12.010 1.00 0.01 C ATOM 417 O ASP A 28 -15.577 7.699 -12.688 1.00 0.02 O ATOM 418 CB ASP A 28 -14.077 10.010 -13.560 1.00 0.67 C ATOM 419 CG ASP A 28 -12.939 10.602 -14.397 1.00 0.90 C ATOM 420 OD1 ASP A 28 -12.680 10.076 -15.468 1.00 0.87 O ATOM 421 OD2 ASP A 28 -12.345 11.572 -13.954 1.00 1.14 O ATOM 0 H ASP A 28 -13.090 7.177 -13.787 1.00 0.01 H new ATOM 0 HA ASP A 28 -12.945 9.408 -11.837 1.00 0.02 H new ATOM 0 HB2 ASP A 28 -14.839 9.585 -14.213 1.00 0.67 H new ATOM 0 HB3 ASP A 28 -14.559 10.795 -12.977 1.00 0.67 H new ATOM 426 N PHE A 29 -14.620 7.933 -10.720 1.00 0.02 N ATOM 427 CA PHE A 29 -15.674 7.143 -10.013 1.00 0.02 C ATOM 428 C PHE A 29 -16.666 8.086 -9.311 1.00 0.00 C ATOM 429 O PHE A 29 -17.518 7.663 -8.553 1.00 0.02 O ATOM 430 CB PHE A 29 -14.954 6.249 -8.966 1.00 2.87 C ATOM 431 CG PHE A 29 -15.330 4.799 -9.158 1.00 3.99 C ATOM 432 CD1 PHE A 29 -16.570 4.345 -8.712 1.00 4.52 C ATOM 433 CD2 PHE A 29 -14.440 3.917 -9.780 1.00 4.68 C ATOM 434 CE1 PHE A 29 -16.928 3.010 -8.888 1.00 5.75 C ATOM 435 CE2 PHE A 29 -14.798 2.577 -9.959 1.00 5.85 C ATOM 436 CZ PHE A 29 -16.042 2.123 -9.512 1.00 6.37 C ATOM 0 H PHE A 29 -13.879 8.285 -10.114 1.00 0.02 H new ATOM 0 HA PHE A 29 -16.237 6.534 -10.720 1.00 0.02 H new ATOM 0 HB2 PHE A 29 -13.874 6.366 -9.061 1.00 2.87 H new ATOM 0 HB3 PHE A 29 -15.222 6.570 -7.959 1.00 2.87 H new ATOM 0 HD1 PHE A 29 -17.254 5.028 -8.230 1.00 4.52 H new ATOM 0 HD2 PHE A 29 -13.478 4.270 -10.121 1.00 4.68 H new ATOM 0 HE1 PHE A 29 -17.889 2.659 -8.543 1.00 5.75 H new ATOM 0 HE2 PHE A 29 -14.114 1.894 -10.442 1.00 5.85 H new ATOM 0 HZ PHE A 29 -16.320 1.088 -9.648 1.00 6.37 H new ATOM 446 N ARG A 30 -16.513 9.364 -9.512 1.00 0.01 N ATOM 447 CA ARG A 30 -17.393 10.351 -8.824 1.00 0.00 C ATOM 448 C ARG A 30 -18.869 10.170 -9.197 1.00 0.01 C ATOM 449 O ARG A 30 -19.743 10.521 -8.428 1.00 0.02 O ATOM 450 CB ARG A 30 -16.960 11.768 -9.205 1.00 0.32 C ATOM 451 CG ARG A 30 -15.560 12.038 -8.649 1.00 0.86 C ATOM 452 CD ARG A 30 -15.075 13.407 -9.128 1.00 1.62 C ATOM 453 NE ARG A 30 -16.096 14.440 -8.798 1.00 2.25 N ATOM 454 CZ ARG A 30 -15.783 15.707 -8.840 1.00 2.70 C ATOM 455 NH1 ARG A 30 -14.572 16.070 -9.170 1.00 3.11 N ATOM 456 NH2 ARG A 30 -16.678 16.610 -8.554 1.00 3.02 N ATOM 0 H ARG A 30 -15.810 9.772 -10.129 1.00 0.01 H new ATOM 0 HA ARG A 30 -17.293 10.187 -7.751 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -16.961 11.881 -10.289 1.00 0.32 H new ATOM 0 HB3 ARG A 30 -17.668 12.496 -8.808 1.00 0.32 H new ATOM 0 HG2 ARG A 30 -15.578 12.008 -7.560 1.00 0.86 H new ATOM 0 HG3 ARG A 30 -14.870 11.261 -8.978 1.00 0.86 H new ATOM 0 HD2 ARG A 30 -14.125 13.655 -8.653 1.00 1.62 H new ATOM 0 HD3 ARG A 30 -14.898 13.386 -10.203 1.00 1.62 H new ATOM 0 HE ARG A 30 -17.041 14.157 -8.539 1.00 2.25 H new ATOM 0 HH11 ARG A 30 -13.871 15.364 -9.395 1.00 3.11 H new ATOM 0 HH12 ARG A 30 -14.327 17.060 -9.203 1.00 3.11 H new ATOM 0 HH21 ARG A 30 -17.624 16.327 -8.297 1.00 3.02 H new ATOM 0 HH22 ARG A 30 -16.433 17.600 -8.587 1.00 3.02 H new ATOM 470 N SER A 31 -19.180 9.673 -10.365 1.00 0.02 N ATOM 471 CA SER A 31 -20.619 9.536 -10.753 1.00 0.02 C ATOM 472 C SER A 31 -21.266 8.305 -10.111 1.00 0.01 C ATOM 473 O SER A 31 -22.475 8.192 -10.059 1.00 0.02 O ATOM 474 CB SER A 31 -20.714 9.413 -12.274 1.00 0.37 C ATOM 475 OG SER A 31 -22.022 8.989 -12.632 1.00 0.88 O ATOM 0 H SER A 31 -18.507 9.358 -11.064 1.00 0.02 H new ATOM 0 HA SER A 31 -21.151 10.420 -10.400 1.00 0.02 H new ATOM 0 HB2 SER A 31 -20.489 10.371 -12.742 1.00 0.37 H new ATOM 0 HB3 SER A 31 -19.976 8.699 -12.639 1.00 0.37 H new ATOM 0 HG SER A 31 -22.528 8.771 -11.822 1.00 0.88 H new ATOM 481 N TYR A 32 -20.477 7.362 -9.657 1.00 0.01 N ATOM 482 CA TYR A 32 -21.051 6.110 -9.059 1.00 0.01 C ATOM 483 C TYR A 32 -20.902 6.121 -7.535 1.00 0.02 C ATOM 484 O TYR A 32 -21.605 5.425 -6.829 1.00 0.02 O ATOM 485 CB TYR A 32 -20.290 4.912 -9.628 1.00 0.02 C ATOM 486 CG TYR A 32 -20.543 4.816 -11.116 1.00 0.02 C ATOM 487 CD1 TYR A 32 -21.799 4.413 -11.585 1.00 0.01 C ATOM 488 CD2 TYR A 32 -19.524 5.129 -12.025 1.00 0.01 C ATOM 489 CE1 TYR A 32 -22.038 4.324 -12.960 1.00 0.02 C ATOM 490 CE2 TYR A 32 -19.763 5.040 -13.401 1.00 0.00 C ATOM 491 CZ TYR A 32 -21.019 4.636 -13.868 1.00 0.02 C ATOM 492 OH TYR A 32 -21.257 4.547 -15.225 1.00 0.02 O ATOM 0 H TYR A 32 -19.458 7.403 -9.674 1.00 0.01 H new ATOM 0 HA TYR A 32 -22.112 6.048 -9.303 1.00 0.01 H new ATOM 0 HB2 TYR A 32 -19.223 5.021 -9.436 1.00 0.02 H new ATOM 0 HB3 TYR A 32 -20.611 3.995 -9.134 1.00 0.02 H new ATOM 0 HD1 TYR A 32 -22.584 4.171 -10.884 1.00 0.01 H new ATOM 0 HD2 TYR A 32 -18.554 5.439 -11.664 1.00 0.01 H new ATOM 0 HE1 TYR A 32 -23.008 4.015 -13.321 1.00 0.02 H new ATOM 0 HE2 TYR A 32 -18.978 5.283 -14.102 1.00 0.00 H new ATOM 0 HH TYR A 32 -20.447 4.799 -15.716 1.00 0.02 H new ATOM 502 N LEU A 33 -19.985 6.890 -7.020 1.00 0.02 N ATOM 503 CA LEU A 33 -19.778 6.929 -5.537 1.00 0.02 C ATOM 504 C LEU A 33 -19.298 8.321 -5.136 1.00 0.02 C ATOM 505 O LEU A 33 -18.359 8.858 -5.690 1.00 0.02 O ATOM 506 CB LEU A 33 -18.686 5.920 -5.151 1.00 1.66 C ATOM 507 CG LEU A 33 -19.232 4.482 -5.191 1.00 2.38 C ATOM 508 CD1 LEU A 33 -18.076 3.503 -4.938 1.00 3.32 C ATOM 509 CD2 LEU A 33 -20.325 4.289 -4.115 1.00 2.80 C ATOM 0 H LEU A 33 -19.366 7.496 -7.559 1.00 0.02 H new ATOM 0 HA LEU A 33 -20.715 6.687 -5.035 1.00 0.02 H new ATOM 0 HB2 LEU A 33 -17.841 6.012 -5.834 1.00 1.66 H new ATOM 0 HB3 LEU A 33 -18.314 6.145 -4.152 1.00 1.66 H new ATOM 0 HG LEU A 33 -19.674 4.292 -6.169 1.00 2.38 H new ATOM 0 HD11 LEU A 33 -18.453 2.481 -4.964 1.00 3.32 H new ATOM 0 HD12 LEU A 33 -17.316 3.630 -5.709 1.00 3.32 H new ATOM 0 HD13 LEU A 33 -17.637 3.703 -3.960 1.00 3.32 H new ATOM 0 HD21 LEU A 33 -20.700 3.267 -4.157 1.00 2.80 H new ATOM 0 HD22 LEU A 33 -19.902 4.480 -3.129 1.00 2.80 H new ATOM 0 HD23 LEU A 33 -21.144 4.984 -4.300 1.00 2.80 H new ATOM 521 N SER A 34 -19.957 8.912 -4.175 1.00 0.02 N ATOM 522 CA SER A 34 -19.577 10.276 -3.720 1.00 0.02 C ATOM 523 C SER A 34 -18.477 10.197 -2.661 1.00 0.00 C ATOM 524 O SER A 34 -17.882 11.194 -2.302 1.00 0.01 O ATOM 525 CB SER A 34 -20.802 10.969 -3.127 1.00 0.02 C ATOM 526 OG SER A 34 -20.404 12.198 -2.537 1.00 0.02 O ATOM 0 H SER A 34 -20.750 8.501 -3.682 1.00 0.02 H new ATOM 0 HA SER A 34 -19.205 10.843 -4.573 1.00 0.02 H new ATOM 0 HB2 SER A 34 -21.545 11.149 -3.904 1.00 0.02 H new ATOM 0 HB3 SER A 34 -21.271 10.328 -2.380 1.00 0.02 H new ATOM 0 HG SER A 34 -19.441 12.177 -2.355 1.00 0.02 H new ATOM 532 N ARG A 35 -18.197 9.023 -2.155 1.00 0.02 N ATOM 533 CA ARG A 35 -17.138 8.870 -1.119 1.00 0.01 C ATOM 534 C ARG A 35 -16.929 7.371 -0.867 1.00 0.02 C ATOM 535 O ARG A 35 -17.771 6.556 -1.197 1.00 0.02 O ATOM 536 CB ARG A 35 -17.578 9.551 0.178 1.00 0.02 C ATOM 537 CG ARG A 35 -18.918 8.969 0.632 1.00 0.02 C ATOM 538 CD ARG A 35 -19.484 9.819 1.771 1.00 0.02 C ATOM 539 NE ARG A 35 -20.628 9.102 2.402 1.00 0.02 N ATOM 540 CZ ARG A 35 -21.075 9.485 3.568 1.00 0.02 C ATOM 541 NH1 ARG A 35 -20.524 10.497 4.179 1.00 0.00 N ATOM 542 NH2 ARG A 35 -22.076 8.855 4.121 1.00 0.02 N ATOM 0 H ARG A 35 -18.664 8.156 -2.420 1.00 0.02 H new ATOM 0 HA ARG A 35 -16.211 9.331 -1.459 1.00 0.01 H new ATOM 0 HB2 ARG A 35 -16.825 9.404 0.952 1.00 0.02 H new ATOM 0 HB3 ARG A 35 -17.670 10.626 0.023 1.00 0.02 H new ATOM 0 HG2 ARG A 35 -19.619 8.947 -0.203 1.00 0.02 H new ATOM 0 HG3 ARG A 35 -18.786 7.939 0.964 1.00 0.02 H new ATOM 0 HD2 ARG A 35 -18.710 10.015 2.513 1.00 0.02 H new ATOM 0 HD3 ARG A 35 -19.812 10.786 1.390 1.00 0.02 H new ATOM 0 HE ARG A 35 -21.062 8.312 1.924 1.00 0.02 H new ATOM 0 HH11 ARG A 35 -19.743 10.990 3.746 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -20.874 10.795 5.090 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -22.508 8.065 3.643 1.00 0.02 H new ATOM 0 HH22 ARG A 35 -22.426 9.153 5.032 1.00 0.02 H new ATOM 556 N CYS A 36 -15.825 6.998 -0.272 1.00 0.02 N ATOM 557 CA CYS A 36 -15.567 5.551 0.018 1.00 0.02 C ATOM 558 C CYS A 36 -14.832 5.444 1.356 1.00 0.02 C ATOM 559 O CYS A 36 -13.739 5.956 1.492 1.00 0.02 O ATOM 560 CB CYS A 36 -14.697 4.956 -1.090 1.00 0.02 C ATOM 561 SG CYS A 36 -15.393 5.397 -2.701 1.00 0.02 S ATOM 0 H CYS A 36 -15.087 7.635 0.028 1.00 0.02 H new ATOM 0 HA CYS A 36 -16.510 5.006 0.065 1.00 0.02 H new ATOM 0 HB2 CYS A 36 -13.677 5.330 -1.007 1.00 0.02 H new ATOM 0 HB3 CYS A 36 -14.648 3.872 -0.987 1.00 0.02 H new ATOM 0 HG CYS A 36 -14.654 4.894 -3.645 1.00 0.02 H new ATOM 567 N ASN A 37 -15.420 4.827 2.364 1.00 0.02 N ATOM 568 CA ASN A 37 -14.728 4.756 3.699 1.00 0.01 C ATOM 569 C ASN A 37 -14.237 3.338 4.007 1.00 0.02 C ATOM 570 O ASN A 37 -13.638 3.084 5.034 1.00 0.02 O ATOM 571 CB ASN A 37 -15.696 5.196 4.801 1.00 0.02 C ATOM 572 CG ASN A 37 -14.927 5.406 6.104 1.00 0.01 C ATOM 573 OD1 ASN A 37 -14.528 4.455 6.748 1.00 0.03 O ATOM 574 ND2 ASN A 37 -14.698 6.619 6.527 1.00 0.02 N ATOM 0 H ASN A 37 -16.334 4.377 2.321 1.00 0.02 H new ATOM 0 HA ASN A 37 -13.863 5.419 3.661 1.00 0.01 H new ATOM 0 HB2 ASN A 37 -16.198 6.119 4.511 1.00 0.02 H new ATOM 0 HB3 ASN A 37 -16.470 4.442 4.941 1.00 0.02 H new ATOM 0 HD21 ASN A 37 -14.185 6.768 7.396 1.00 0.02 H new ATOM 0 HD22 ASN A 37 -15.032 7.418 5.988 1.00 0.02 H new ATOM 581 N SER A 38 -14.462 2.418 3.111 1.00 0.02 N ATOM 582 CA SER A 38 -13.990 1.018 3.320 1.00 0.02 C ATOM 583 C SER A 38 -13.842 0.359 1.950 1.00 0.01 C ATOM 584 O SER A 38 -14.482 0.750 0.992 1.00 0.02 O ATOM 585 CB SER A 38 -14.986 0.234 4.179 1.00 0.01 C ATOM 586 OG SER A 38 -14.703 -1.154 4.077 1.00 0.02 O ATOM 0 H SER A 38 -14.958 2.577 2.234 1.00 0.02 H new ATOM 0 HA SER A 38 -13.034 1.024 3.843 1.00 0.02 H new ATOM 0 HB2 SER A 38 -14.919 0.555 5.218 1.00 0.01 H new ATOM 0 HB3 SER A 38 -16.005 0.434 3.849 1.00 0.01 H new ATOM 0 HG SER A 38 -13.750 -1.307 4.248 1.00 0.02 H new ATOM 592 N ILE A 39 -12.980 -0.621 1.833 1.00 0.02 N ATOM 593 CA ILE A 39 -12.773 -1.274 0.501 1.00 0.02 C ATOM 594 C ILE A 39 -12.448 -2.760 0.667 1.00 0.02 C ATOM 595 O ILE A 39 -11.781 -3.176 1.597 1.00 0.02 O ATOM 596 CB ILE A 39 -11.587 -0.599 -0.198 1.00 0.00 C ATOM 597 CG1 ILE A 39 -11.723 0.923 -0.088 1.00 0.01 C ATOM 598 CG2 ILE A 39 -11.563 -1.001 -1.674 1.00 0.01 C ATOM 599 CD1 ILE A 39 -10.634 1.602 -0.923 1.00 0.00 C ATOM 0 H ILE A 39 -12.414 -0.995 2.595 1.00 0.02 H new ATOM 0 HA ILE A 39 -13.687 -1.172 -0.083 1.00 0.02 H new ATOM 0 HB ILE A 39 -10.661 -0.917 0.280 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -12.708 1.235 -0.435 1.00 0.01 H new ATOM 0 HG13 ILE A 39 -11.640 1.230 0.954 1.00 0.01 H new ATOM 0 HG21 ILE A 39 -10.719 -0.520 -2.168 1.00 0.01 H new ATOM 0 HG22 ILE A 39 -11.462 -2.083 -1.755 1.00 0.01 H new ATOM 0 HG23 ILE A 39 -12.491 -0.687 -2.152 1.00 0.01 H new ATOM 0 HD11 ILE A 39 -10.735 2.684 -0.842 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -9.653 1.300 -0.556 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -10.738 1.305 -1.967 1.00 0.00 H new ATOM 611 N ARG A 40 -12.878 -3.556 -0.284 1.00 0.02 N ATOM 612 CA ARG A 40 -12.574 -5.019 -0.270 1.00 0.02 C ATOM 613 C ARG A 40 -11.872 -5.373 -1.584 1.00 0.01 C ATOM 614 O ARG A 40 -12.411 -5.154 -2.650 1.00 0.02 O ATOM 615 CB ARG A 40 -13.855 -5.852 -0.147 1.00 0.01 C ATOM 616 CG ARG A 40 -13.494 -7.300 0.198 1.00 0.02 C ATOM 617 CD ARG A 40 -14.764 -8.154 0.226 1.00 0.02 C ATOM 618 NE ARG A 40 -14.477 -9.443 0.913 1.00 0.02 N ATOM 619 CZ ARG A 40 -15.460 -10.197 1.321 1.00 0.02 C ATOM 620 NH1 ARG A 40 -16.696 -9.821 1.129 1.00 0.02 N ATOM 621 NH2 ARG A 40 -15.209 -11.327 1.922 1.00 0.02 N ATOM 0 H ARG A 40 -13.435 -3.247 -1.080 1.00 0.02 H new ATOM 0 HA ARG A 40 -11.941 -5.242 0.589 1.00 0.02 H new ATOM 0 HB2 ARG A 40 -14.500 -5.433 0.625 1.00 0.01 H new ATOM 0 HB3 ARG A 40 -14.414 -5.819 -1.082 1.00 0.01 H new ATOM 0 HG2 ARG A 40 -12.794 -7.696 -0.538 1.00 0.02 H new ATOM 0 HG3 ARG A 40 -12.995 -7.340 1.166 1.00 0.02 H new ATOM 0 HD2 ARG A 40 -15.562 -7.622 0.745 1.00 0.02 H new ATOM 0 HD3 ARG A 40 -15.113 -8.340 -0.790 1.00 0.02 H new ATOM 0 HE ARG A 40 -13.512 -9.737 1.065 1.00 0.02 H new ATOM 0 HH11 ARG A 40 -16.893 -8.937 0.660 1.00 0.02 H new ATOM 0 HH12 ARG A 40 -17.464 -10.411 1.448 1.00 0.02 H new ATOM 0 HH21 ARG A 40 -14.244 -11.621 2.073 1.00 0.02 H new ATOM 0 HH22 ARG A 40 -15.978 -11.917 2.241 1.00 0.02 H new ATOM 635 N VAL A 41 -10.704 -5.962 -1.521 1.00 0.02 N ATOM 636 CA VAL A 41 -9.999 -6.381 -2.773 1.00 0.01 C ATOM 637 C VAL A 41 -10.112 -7.901 -2.859 1.00 0.02 C ATOM 638 O VAL A 41 -9.604 -8.615 -2.020 1.00 0.02 O ATOM 639 CB VAL A 41 -8.535 -5.947 -2.728 1.00 0.01 C ATOM 640 CG1 VAL A 41 -7.864 -6.287 -4.061 1.00 0.02 C ATOM 641 CG2 VAL A 41 -8.471 -4.433 -2.510 1.00 0.00 C ATOM 0 H VAL A 41 -10.207 -6.171 -0.655 1.00 0.02 H new ATOM 0 HA VAL A 41 -10.447 -5.913 -3.650 1.00 0.01 H new ATOM 0 HB VAL A 41 -8.023 -6.464 -1.916 1.00 0.01 H new ATOM 0 HG11 VAL A 41 -6.819 -5.978 -4.032 1.00 0.02 H new ATOM 0 HG12 VAL A 41 -7.920 -7.362 -4.233 1.00 0.02 H new ATOM 0 HG13 VAL A 41 -8.374 -5.763 -4.869 1.00 0.02 H new ATOM 0 HG21 VAL A 41 -7.429 -4.114 -2.476 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -8.980 -3.926 -3.330 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -8.958 -4.180 -1.568 1.00 0.00 H new ATOM 651 N GLU A 42 -10.802 -8.399 -3.851 1.00 0.01 N ATOM 652 CA GLU A 42 -10.982 -9.875 -3.970 1.00 0.01 C ATOM 653 C GLU A 42 -9.776 -10.513 -4.656 1.00 0.02 C ATOM 654 O GLU A 42 -9.404 -11.629 -4.353 1.00 0.01 O ATOM 655 CB GLU A 42 -12.251 -10.172 -4.771 1.00 0.99 C ATOM 656 CG GLU A 42 -13.429 -9.406 -4.166 1.00 1.86 C ATOM 657 CD GLU A 42 -14.741 -9.962 -4.720 1.00 3.10 C ATOM 658 OE1 GLU A 42 -14.683 -10.727 -5.668 1.00 3.67 O ATOM 659 OE2 GLU A 42 -15.783 -9.612 -4.186 1.00 3.81 O ATOM 0 H GLU A 42 -11.248 -7.847 -4.584 1.00 0.01 H new ATOM 0 HA GLU A 42 -11.073 -10.298 -2.970 1.00 0.01 H new ATOM 0 HB2 GLU A 42 -12.112 -9.883 -5.813 1.00 0.99 H new ATOM 0 HB3 GLU A 42 -12.457 -11.242 -4.762 1.00 0.99 H new ATOM 0 HG2 GLU A 42 -13.414 -9.495 -3.080 1.00 1.86 H new ATOM 0 HG3 GLU A 42 -13.344 -8.345 -4.400 1.00 1.86 H new ATOM 666 N GLY A 43 -9.160 -9.834 -5.582 1.00 0.01 N ATOM 667 CA GLY A 43 -7.988 -10.447 -6.263 1.00 0.02 C ATOM 668 C GLY A 43 -7.170 -9.386 -6.996 1.00 0.02 C ATOM 669 O GLY A 43 -7.693 -8.377 -7.429 1.00 0.02 O ATOM 0 H GLY A 43 -9.412 -8.896 -5.893 1.00 0.01 H new ATOM 0 HA2 GLY A 43 -7.360 -10.954 -5.530 1.00 0.02 H new ATOM 0 HA3 GLY A 43 -8.328 -11.204 -6.970 1.00 0.02 H new ATOM 673 N GLY A 44 -5.893 -9.607 -7.157 1.00 0.00 N ATOM 674 CA GLY A 44 -5.058 -8.610 -7.886 1.00 0.01 C ATOM 675 C GLY A 44 -4.604 -7.492 -6.944 1.00 0.01 C ATOM 676 O GLY A 44 -5.042 -7.393 -5.815 1.00 0.01 O ATOM 0 H GLY A 44 -5.395 -10.430 -6.818 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -4.188 -9.104 -8.318 1.00 0.01 H new ATOM 0 HA3 GLY A 44 -5.628 -8.186 -8.713 1.00 0.01 H new ATOM 680 N THR A 45 -3.750 -6.629 -7.435 1.00 0.01 N ATOM 681 CA THR A 45 -3.268 -5.466 -6.624 1.00 0.00 C ATOM 682 C THR A 45 -3.673 -4.182 -7.351 1.00 0.01 C ATOM 683 O THR A 45 -3.568 -4.098 -8.557 1.00 0.01 O ATOM 684 CB THR A 45 -1.740 -5.530 -6.500 1.00 0.73 C ATOM 685 OG1 THR A 45 -1.380 -6.639 -5.688 1.00 0.88 O ATOM 686 CG2 THR A 45 -1.215 -4.240 -5.866 1.00 1.48 C ATOM 0 H THR A 45 -3.360 -6.681 -8.376 1.00 0.01 H new ATOM 0 HA THR A 45 -3.705 -5.488 -5.626 1.00 0.00 H new ATOM 0 HB THR A 45 -1.302 -5.644 -7.492 1.00 0.73 H new ATOM 0 HG1 THR A 45 -0.404 -6.683 -5.609 1.00 0.88 H new ATOM 0 HG21 THR A 45 -0.130 -4.292 -5.781 1.00 1.48 H new ATOM 0 HG22 THR A 45 -1.490 -3.390 -6.490 1.00 1.48 H new ATOM 0 HG23 THR A 45 -1.651 -4.118 -4.875 1.00 1.48 H new ATOM 694 N TRP A 46 -4.203 -3.201 -6.650 1.00 0.02 N ATOM 695 CA TRP A 46 -4.679 -1.953 -7.340 1.00 0.01 C ATOM 696 C TRP A 46 -4.073 -0.688 -6.730 1.00 0.01 C ATOM 697 O TRP A 46 -3.726 -0.624 -5.570 1.00 0.01 O ATOM 698 CB TRP A 46 -6.201 -1.877 -7.208 1.00 0.00 C ATOM 699 CG TRP A 46 -6.822 -3.039 -7.913 1.00 0.01 C ATOM 700 CD1 TRP A 46 -6.728 -4.329 -7.516 1.00 0.01 C ATOM 701 CD2 TRP A 46 -7.629 -3.039 -9.125 1.00 0.01 C ATOM 702 NE1 TRP A 46 -7.429 -5.120 -8.408 1.00 0.00 N ATOM 703 CE2 TRP A 46 -8.001 -4.372 -9.418 1.00 0.01 C ATOM 704 CE3 TRP A 46 -8.071 -2.021 -9.991 1.00 0.01 C ATOM 705 CZ2 TRP A 46 -8.783 -4.685 -10.530 1.00 0.01 C ATOM 706 CZ3 TRP A 46 -8.859 -2.332 -11.112 1.00 0.02 C ATOM 707 CH2 TRP A 46 -9.214 -3.662 -11.381 1.00 0.01 C ATOM 0 H TRP A 46 -4.326 -3.210 -5.637 1.00 0.02 H new ATOM 0 HA TRP A 46 -4.367 -2.004 -8.383 1.00 0.01 H new ATOM 0 HB2 TRP A 46 -6.486 -1.882 -6.156 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -6.567 -0.942 -7.633 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -6.194 -4.683 -6.646 1.00 0.01 H new ATOM 0 HE1 TRP A 46 -7.513 -6.133 -8.329 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -7.803 -0.994 -9.792 1.00 0.01 H new ATOM 0 HZ2 TRP A 46 -9.054 -5.711 -10.733 1.00 0.01 H new ATOM 0 HZ3 TRP A 46 -9.193 -1.543 -11.770 1.00 0.02 H new ATOM 0 HH2 TRP A 46 -9.819 -3.896 -12.244 1.00 0.01 H new ATOM 718 N ALA A 47 -4.020 0.343 -7.533 1.00 0.01 N ATOM 719 CA ALA A 47 -3.527 1.675 -7.077 1.00 0.01 C ATOM 720 C ALA A 47 -4.759 2.576 -7.031 1.00 0.01 C ATOM 721 O ALA A 47 -5.543 2.607 -7.957 1.00 0.01 O ATOM 722 CB ALA A 47 -2.500 2.224 -8.071 1.00 0.24 C ATOM 0 H ALA A 47 -4.306 0.315 -8.512 1.00 0.01 H new ATOM 0 HA ALA A 47 -3.037 1.616 -6.105 1.00 0.01 H new ATOM 0 HB1 ALA A 47 -2.146 3.197 -7.729 1.00 0.24 H new ATOM 0 HB2 ALA A 47 -1.658 1.536 -8.141 1.00 0.24 H new ATOM 0 HB3 ALA A 47 -2.964 2.331 -9.052 1.00 0.24 H new ATOM 728 N VAL A 48 -4.922 3.327 -5.968 1.00 0.01 N ATOM 729 CA VAL A 48 -6.092 4.254 -5.857 1.00 0.02 C ATOM 730 C VAL A 48 -5.583 5.688 -5.739 1.00 0.01 C ATOM 731 O VAL A 48 -4.562 5.937 -5.127 1.00 0.01 O ATOM 732 CB VAL A 48 -6.930 3.894 -4.628 1.00 0.09 C ATOM 733 CG1 VAL A 48 -7.544 2.503 -4.818 1.00 0.48 C ATOM 734 CG2 VAL A 48 -6.038 3.894 -3.383 1.00 0.65 C ATOM 0 H VAL A 48 -4.290 3.337 -5.167 1.00 0.01 H new ATOM 0 HA VAL A 48 -6.717 4.160 -6.745 1.00 0.02 H new ATOM 0 HB VAL A 48 -7.726 4.628 -4.503 1.00 0.09 H new ATOM 0 HG11 VAL A 48 -8.141 2.246 -3.943 1.00 0.48 H new ATOM 0 HG12 VAL A 48 -8.180 2.504 -5.703 1.00 0.48 H new ATOM 0 HG13 VAL A 48 -6.749 1.768 -4.943 1.00 0.48 H new ATOM 0 HG21 VAL A 48 -6.635 3.638 -2.508 1.00 0.65 H new ATOM 0 HG22 VAL A 48 -5.241 3.161 -3.506 1.00 0.65 H new ATOM 0 HG23 VAL A 48 -5.602 4.884 -3.248 1.00 0.65 H new ATOM 744 N TYR A 49 -6.282 6.630 -6.329 1.00 0.01 N ATOM 745 CA TYR A 49 -5.838 8.061 -6.267 1.00 0.01 C ATOM 746 C TYR A 49 -6.923 8.919 -5.620 1.00 0.01 C ATOM 747 O TYR A 49 -8.107 8.666 -5.739 1.00 0.02 O ATOM 748 CB TYR A 49 -5.553 8.563 -7.682 1.00 0.01 C ATOM 749 CG TYR A 49 -4.257 7.959 -8.179 1.00 0.00 C ATOM 750 CD1 TYR A 49 -4.188 6.588 -8.456 1.00 0.01 C ATOM 751 CD2 TYR A 49 -3.129 8.769 -8.369 1.00 0.01 C ATOM 752 CE1 TYR A 49 -2.991 6.026 -8.920 1.00 0.01 C ATOM 753 CE2 TYR A 49 -1.933 8.206 -8.833 1.00 0.01 C ATOM 754 CZ TYR A 49 -1.864 6.836 -9.109 1.00 0.02 C ATOM 755 OH TYR A 49 -0.686 6.281 -9.567 1.00 0.01 O ATOM 0 H TYR A 49 -7.143 6.469 -6.852 1.00 0.01 H new ATOM 0 HA TYR A 49 -4.931 8.132 -5.666 1.00 0.01 H new ATOM 0 HB2 TYR A 49 -6.372 8.292 -8.348 1.00 0.01 H new ATOM 0 HB3 TYR A 49 -5.485 9.651 -7.687 1.00 0.01 H new ATOM 0 HD1 TYR A 49 -5.057 5.964 -8.312 1.00 0.01 H new ATOM 0 HD2 TYR A 49 -3.182 9.827 -8.158 1.00 0.01 H new ATOM 0 HE1 TYR A 49 -2.937 4.968 -9.132 1.00 0.01 H new ATOM 0 HE2 TYR A 49 -1.063 8.830 -8.978 1.00 0.01 H new ATOM 0 HH TYR A 49 -0.003 6.980 -9.644 1.00 0.01 H new ATOM 765 N GLU A 50 -6.500 9.916 -4.892 1.00 0.01 N ATOM 766 CA GLU A 50 -7.450 10.801 -4.163 1.00 0.01 C ATOM 767 C GLU A 50 -8.314 11.604 -5.140 1.00 0.01 C ATOM 768 O GLU A 50 -9.456 11.897 -4.850 1.00 0.02 O ATOM 769 CB GLU A 50 -6.639 11.764 -3.291 1.00 0.02 C ATOM 770 CG GLU A 50 -7.543 12.384 -2.219 1.00 0.01 C ATOM 771 CD GLU A 50 -7.769 11.375 -1.089 1.00 0.02 C ATOM 772 OE1 GLU A 50 -7.421 10.221 -1.273 1.00 0.01 O ATOM 773 OE2 GLU A 50 -8.286 11.774 -0.060 1.00 0.02 O ATOM 0 H GLU A 50 -5.517 10.158 -4.770 1.00 0.01 H new ATOM 0 HA GLU A 50 -8.112 10.188 -3.551 1.00 0.01 H new ATOM 0 HB2 GLU A 50 -5.812 11.233 -2.819 1.00 0.02 H new ATOM 0 HB3 GLU A 50 -6.202 12.548 -3.909 1.00 0.02 H new ATOM 0 HG2 GLU A 50 -7.086 13.291 -1.824 1.00 0.01 H new ATOM 0 HG3 GLU A 50 -8.498 12.674 -2.658 1.00 0.01 H new ATOM 780 N ARG A 51 -7.783 11.987 -6.282 1.00 0.02 N ATOM 781 CA ARG A 51 -8.587 12.801 -7.257 1.00 0.02 C ATOM 782 C ARG A 51 -8.595 12.095 -8.632 1.00 0.01 C ATOM 783 O ARG A 51 -7.720 11.296 -8.925 1.00 0.02 O ATOM 784 CB ARG A 51 -7.920 14.191 -7.380 1.00 0.02 C ATOM 785 CG ARG A 51 -8.588 15.188 -6.423 1.00 0.01 C ATOM 786 CD ARG A 51 -7.763 16.474 -6.366 1.00 0.02 C ATOM 787 NE ARG A 51 -8.524 17.521 -5.627 1.00 0.02 N ATOM 788 CZ ARG A 51 -7.912 18.591 -5.199 1.00 0.02 C ATOM 789 NH1 ARG A 51 -6.636 18.743 -5.417 1.00 0.02 N ATOM 790 NH2 ARG A 51 -8.577 19.507 -4.550 1.00 0.01 N ATOM 0 H ARG A 51 -6.831 11.772 -6.580 1.00 0.02 H new ATOM 0 HA ARG A 51 -9.616 12.908 -6.914 1.00 0.02 H new ATOM 0 HB2 ARG A 51 -6.857 14.113 -7.152 1.00 0.02 H new ATOM 0 HB3 ARG A 51 -8.000 14.551 -8.406 1.00 0.02 H new ATOM 0 HG2 ARG A 51 -9.601 15.408 -6.760 1.00 0.01 H new ATOM 0 HG3 ARG A 51 -8.671 14.752 -5.427 1.00 0.01 H new ATOM 0 HD2 ARG A 51 -6.810 16.285 -5.872 1.00 0.02 H new ATOM 0 HD3 ARG A 51 -7.536 16.818 -7.375 1.00 0.02 H new ATOM 0 HE ARG A 51 -9.522 17.401 -5.456 1.00 0.02 H new ATOM 0 HH11 ARG A 51 -6.116 18.026 -5.922 1.00 0.02 H new ATOM 0 HH12 ARG A 51 -6.158 19.579 -5.082 1.00 0.02 H new ATOM 0 HH21 ARG A 51 -9.575 19.387 -4.377 1.00 0.01 H new ATOM 0 HH22 ARG A 51 -8.099 20.343 -4.215 1.00 0.01 H new ATOM 804 N PRO A 52 -9.580 12.389 -9.470 1.00 0.02 N ATOM 805 CA PRO A 52 -9.681 11.752 -10.818 1.00 0.02 C ATOM 806 C PRO A 52 -8.399 11.891 -11.647 1.00 0.01 C ATOM 807 O PRO A 52 -7.517 12.673 -11.355 1.00 0.02 O ATOM 808 CB PRO A 52 -10.861 12.509 -11.469 1.00 0.02 C ATOM 809 CG PRO A 52 -11.324 13.613 -10.500 1.00 0.01 C ATOM 810 CD PRO A 52 -10.661 13.364 -9.138 1.00 0.01 C ATOM 0 HA PRO A 52 -9.831 10.674 -10.754 1.00 0.02 H new ATOM 0 HB2 PRO A 52 -10.554 12.944 -12.420 1.00 0.02 H new ATOM 0 HB3 PRO A 52 -11.681 11.823 -11.682 1.00 0.02 H new ATOM 0 HG2 PRO A 52 -11.048 14.595 -10.883 1.00 0.01 H new ATOM 0 HG3 PRO A 52 -12.410 13.602 -10.402 1.00 0.01 H new ATOM 0 HD2 PRO A 52 -10.260 14.282 -8.709 1.00 0.01 H new ATOM 0 HD3 PRO A 52 -11.366 12.956 -8.414 1.00 0.01 H new ATOM 818 N ASN A 53 -8.339 11.134 -12.709 1.00 0.02 N ATOM 819 CA ASN A 53 -7.174 11.189 -13.631 1.00 0.02 C ATOM 820 C ASN A 53 -5.894 10.741 -12.928 1.00 0.01 C ATOM 821 O ASN A 53 -4.817 11.246 -13.181 1.00 0.01 O ATOM 822 CB ASN A 53 -7.017 12.621 -14.151 1.00 0.01 C ATOM 823 CG ASN A 53 -8.396 13.221 -14.425 1.00 0.02 C ATOM 824 OD1 ASN A 53 -9.409 12.428 -14.641 1.00 0.02 O flip ATOM 825 ND2 ASN A 53 -8.554 14.426 -14.444 1.00 0.01 N flip ATOM 0 H ASN A 53 -9.063 10.468 -12.979 1.00 0.02 H new ATOM 0 HA ASN A 53 -7.350 10.509 -14.464 1.00 0.02 H new ATOM 0 HB2 ASN A 53 -6.484 13.228 -13.419 1.00 0.01 H new ATOM 0 HB3 ASN A 53 -6.420 12.624 -15.063 1.00 0.01 H new ATOM 0 HD21 ASN A 53 -7.763 15.047 -14.275 1.00 0.01 H new ATOM 0 HD22 ASN A 53 -9.478 14.816 -14.629 1.00 0.01 H new ATOM 832 N PHE A 54 -6.013 9.772 -12.061 1.00 0.02 N ATOM 833 CA PHE A 54 -4.825 9.242 -11.339 1.00 0.01 C ATOM 834 C PHE A 54 -3.948 10.385 -10.823 1.00 0.01 C ATOM 835 O PHE A 54 -2.756 10.427 -11.055 1.00 0.02 O ATOM 836 CB PHE A 54 -4.021 8.346 -12.291 1.00 1.78 C ATOM 837 CG PHE A 54 -4.967 7.586 -13.192 1.00 2.32 C ATOM 838 CD1 PHE A 54 -5.962 6.778 -12.633 1.00 2.53 C ATOM 839 CD2 PHE A 54 -4.851 7.689 -14.586 1.00 2.77 C ATOM 840 CE1 PHE A 54 -6.842 6.073 -13.463 1.00 3.03 C ATOM 841 CE2 PHE A 54 -5.730 6.983 -15.416 1.00 3.32 C ATOM 842 CZ PHE A 54 -6.725 6.175 -14.855 1.00 3.39 C ATOM 0 H PHE A 54 -6.895 9.321 -11.821 1.00 0.02 H new ATOM 0 HA PHE A 54 -5.159 8.661 -10.479 1.00 0.01 H new ATOM 0 HB2 PHE A 54 -3.341 8.952 -12.889 1.00 1.78 H new ATOM 0 HB3 PHE A 54 -3.408 7.649 -11.720 1.00 1.78 H new ATOM 0 HD1 PHE A 54 -6.052 6.698 -11.560 1.00 2.53 H new ATOM 0 HD2 PHE A 54 -4.083 8.313 -15.019 1.00 2.77 H new ATOM 0 HE1 PHE A 54 -7.611 5.451 -13.030 1.00 3.03 H new ATOM 0 HE2 PHE A 54 -5.640 7.062 -16.489 1.00 3.32 H new ATOM 0 HZ PHE A 54 -7.403 5.630 -15.495 1.00 3.39 H new ATOM 852 N SER A 55 -4.553 11.314 -10.121 1.00 0.02 N ATOM 853 CA SER A 55 -3.792 12.483 -9.566 1.00 0.02 C ATOM 854 C SER A 55 -4.032 12.591 -8.057 1.00 0.01 C ATOM 855 O SER A 55 -4.949 12.000 -7.523 1.00 0.01 O ATOM 856 CB SER A 55 -4.276 13.763 -10.248 1.00 1.90 C ATOM 857 OG SER A 55 -3.373 14.821 -9.954 1.00 2.33 O ATOM 0 H SER A 55 -5.550 11.314 -9.906 1.00 0.02 H new ATOM 0 HA SER A 55 -2.727 12.343 -9.750 1.00 0.02 H new ATOM 0 HB2 SER A 55 -4.340 13.613 -11.326 1.00 1.90 H new ATOM 0 HB3 SER A 55 -5.278 14.017 -9.901 1.00 1.90 H new ATOM 0 HG SER A 55 -3.679 15.643 -10.391 1.00 2.33 H new ATOM 863 N GLY A 56 -3.205 13.330 -7.360 1.00 0.02 N ATOM 864 CA GLY A 56 -3.371 13.466 -5.881 1.00 0.02 C ATOM 865 C GLY A 56 -2.611 12.340 -5.168 1.00 0.02 C ATOM 866 O GLY A 56 -1.728 11.726 -5.734 1.00 0.00 O ATOM 0 H GLY A 56 -2.419 13.847 -7.754 1.00 0.02 H new ATOM 0 HA2 GLY A 56 -2.997 14.435 -5.551 1.00 0.02 H new ATOM 0 HA3 GLY A 56 -4.428 13.426 -5.619 1.00 0.02 H new ATOM 870 N HIS A 57 -2.929 12.076 -3.929 1.00 0.02 N ATOM 871 CA HIS A 57 -2.205 11.003 -3.184 1.00 0.02 C ATOM 872 C HIS A 57 -2.481 9.643 -3.825 1.00 0.01 C ATOM 873 O HIS A 57 -3.595 9.352 -4.207 1.00 0.01 O ATOM 874 CB HIS A 57 -2.683 10.987 -1.732 1.00 0.00 C ATOM 875 CG HIS A 57 -2.684 12.390 -1.189 1.00 0.01 C ATOM 876 ND1 HIS A 57 -3.857 13.083 -0.937 1.00 0.01 N ATOM 877 CD2 HIS A 57 -1.664 13.243 -0.845 1.00 0.01 C ATOM 878 CE1 HIS A 57 -3.518 14.296 -0.462 1.00 0.02 C ATOM 879 NE2 HIS A 57 -2.193 14.445 -0.387 1.00 0.01 N ATOM 0 H HIS A 57 -3.658 12.556 -3.400 1.00 0.02 H new ATOM 0 HA HIS A 57 -1.134 11.202 -3.219 1.00 0.02 H new ATOM 0 HB2 HIS A 57 -3.685 10.562 -1.672 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -2.031 10.353 -1.130 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -0.611 13.015 -0.919 1.00 0.01 H new ATOM 0 HE1 HIS A 57 -4.230 15.056 -0.176 1.00 0.02 H new ATOM 0 HE2 HIS A 57 -1.679 15.265 -0.063 1.00 0.01 H new ATOM 887 N MET A 58 -1.472 8.806 -3.936 1.00 0.02 N ATOM 888 CA MET A 58 -1.657 7.449 -4.547 1.00 0.02 C ATOM 889 C MET A 58 -1.309 6.369 -3.513 1.00 0.01 C ATOM 890 O MET A 58 -0.334 6.473 -2.794 1.00 0.01 O ATOM 891 CB MET A 58 -0.726 7.312 -5.756 1.00 2.61 C ATOM 892 CG MET A 58 0.730 7.336 -5.285 1.00 3.46 C ATOM 893 SD MET A 58 1.819 7.560 -6.713 1.00 4.50 S ATOM 894 CE MET A 58 2.061 5.809 -7.095 1.00 5.01 C ATOM 0 H MET A 58 -0.521 9.008 -3.626 1.00 0.02 H new ATOM 0 HA MET A 58 -2.693 7.328 -4.863 1.00 0.02 H new ATOM 0 HB2 MET A 58 -0.933 6.381 -6.284 1.00 2.61 H new ATOM 0 HB3 MET A 58 -0.905 8.125 -6.460 1.00 2.61 H new ATOM 0 HG2 MET A 58 0.879 8.145 -4.569 1.00 3.46 H new ATOM 0 HG3 MET A 58 0.973 6.406 -4.771 1.00 3.46 H new ATOM 0 HE1 MET A 58 2.715 5.713 -7.961 1.00 5.01 H new ATOM 0 HE2 MET A 58 2.516 5.309 -6.240 1.00 5.01 H new ATOM 0 HE3 MET A 58 1.098 5.348 -7.315 1.00 5.01 H new ATOM 904 N TYR A 59 -2.107 5.331 -3.437 1.00 0.02 N ATOM 905 CA TYR A 59 -1.851 4.224 -2.457 1.00 0.01 C ATOM 906 C TYR A 59 -2.004 2.866 -3.154 1.00 0.01 C ATOM 907 O TYR A 59 -2.906 2.648 -3.938 1.00 0.02 O ATOM 908 CB TYR A 59 -2.865 4.305 -1.316 1.00 0.01 C ATOM 909 CG TYR A 59 -2.581 5.527 -0.476 1.00 0.01 C ATOM 910 CD1 TYR A 59 -1.674 5.447 0.588 1.00 0.01 C ATOM 911 CD2 TYR A 59 -3.228 6.736 -0.755 1.00 0.01 C ATOM 912 CE1 TYR A 59 -1.414 6.577 1.371 1.00 0.02 C ATOM 913 CE2 TYR A 59 -2.967 7.866 0.028 1.00 0.01 C ATOM 914 CZ TYR A 59 -2.060 7.787 1.091 1.00 0.01 C ATOM 915 OH TYR A 59 -1.803 8.902 1.863 1.00 0.01 O ATOM 0 H TYR A 59 -2.935 5.201 -4.018 1.00 0.02 H new ATOM 0 HA TYR A 59 -0.839 4.326 -2.066 1.00 0.01 H new ATOM 0 HB2 TYR A 59 -3.877 4.354 -1.718 1.00 0.01 H new ATOM 0 HB3 TYR A 59 -2.809 3.407 -0.701 1.00 0.01 H new ATOM 0 HD1 TYR A 59 -1.176 4.514 0.804 1.00 0.01 H new ATOM 0 HD2 TYR A 59 -3.929 6.797 -1.575 1.00 0.01 H new ATOM 0 HE1 TYR A 59 -0.715 6.516 2.192 1.00 0.02 H new ATOM 0 HE2 TYR A 59 -3.466 8.799 -0.188 1.00 0.01 H new ATOM 0 HH TYR A 59 -2.333 9.657 1.533 1.00 0.01 H new ATOM 925 N ILE A 60 -1.117 1.947 -2.854 1.00 0.02 N ATOM 926 CA ILE A 60 -1.178 0.582 -3.466 1.00 0.01 C ATOM 927 C ILE A 60 -1.925 -0.360 -2.515 1.00 0.01 C ATOM 928 O ILE A 60 -1.649 -0.391 -1.330 1.00 0.01 O ATOM 929 CB ILE A 60 0.244 0.059 -3.684 1.00 0.45 C ATOM 930 CG1 ILE A 60 1.101 1.145 -4.350 1.00 1.35 C ATOM 931 CG2 ILE A 60 0.203 -1.180 -4.579 1.00 1.21 C ATOM 932 CD1 ILE A 60 0.386 1.694 -5.587 1.00 1.72 C ATOM 0 H ILE A 60 -0.344 2.087 -2.203 1.00 0.02 H new ATOM 0 HA ILE A 60 -1.698 0.630 -4.423 1.00 0.01 H new ATOM 0 HB ILE A 60 0.681 -0.203 -2.720 1.00 0.45 H new ATOM 0 HG12 ILE A 60 1.293 1.952 -3.643 1.00 1.35 H new ATOM 0 HG13 ILE A 60 2.069 0.732 -4.633 1.00 1.35 H new ATOM 0 HG21 ILE A 60 1.216 -1.551 -4.733 1.00 1.21 H new ATOM 0 HG22 ILE A 60 -0.398 -1.954 -4.102 1.00 1.21 H new ATOM 0 HG23 ILE A 60 -0.238 -0.919 -5.541 1.00 1.21 H new ATOM 0 HD11 ILE A 60 1.002 2.464 -6.052 1.00 1.72 H new ATOM 0 HD12 ILE A 60 0.217 0.886 -6.298 1.00 1.72 H new ATOM 0 HD13 ILE A 60 -0.571 2.124 -5.293 1.00 1.72 H new ATOM 944 N LEU A 61 -2.882 -1.111 -3.016 1.00 0.01 N ATOM 945 CA LEU A 61 -3.670 -2.037 -2.131 1.00 0.01 C ATOM 946 C LEU A 61 -3.535 -3.508 -2.612 1.00 0.01 C ATOM 947 O LEU A 61 -4.076 -3.860 -3.643 1.00 0.00 O ATOM 948 CB LEU A 61 -5.162 -1.632 -2.201 1.00 0.01 C ATOM 949 CG LEU A 61 -5.507 -0.602 -1.107 1.00 0.02 C ATOM 950 CD1 LEU A 61 -6.947 -0.119 -1.317 1.00 0.01 C ATOM 951 CD2 LEU A 61 -5.374 -1.238 0.298 1.00 0.01 C ATOM 0 H LEU A 61 -3.152 -1.123 -4.000 1.00 0.01 H new ATOM 0 HA LEU A 61 -3.289 -1.962 -1.113 1.00 0.01 H new ATOM 0 HB2 LEU A 61 -5.383 -1.213 -3.183 1.00 0.01 H new ATOM 0 HB3 LEU A 61 -5.788 -2.516 -2.083 1.00 0.01 H new ATOM 0 HG LEU A 61 -4.815 0.238 -1.174 1.00 0.02 H new ATOM 0 HD11 LEU A 61 -7.202 0.610 -0.548 1.00 0.01 H new ATOM 0 HD12 LEU A 61 -7.036 0.344 -2.300 1.00 0.01 H new ATOM 0 HD13 LEU A 61 -7.628 -0.967 -1.252 1.00 0.01 H new ATOM 0 HD21 LEU A 61 -5.621 -0.497 1.058 1.00 0.01 H new ATOM 0 HD22 LEU A 61 -6.057 -2.084 0.381 1.00 0.01 H new ATOM 0 HD23 LEU A 61 -4.350 -1.582 0.446 1.00 0.01 H new ATOM 963 N PRO A 62 -2.871 -4.386 -1.873 1.00 0.02 N ATOM 964 CA PRO A 62 -2.790 -5.812 -2.295 1.00 0.01 C ATOM 965 C PRO A 62 -4.114 -6.525 -1.981 1.00 0.00 C ATOM 966 O PRO A 62 -4.965 -5.984 -1.303 1.00 0.02 O ATOM 967 CB PRO A 62 -1.634 -6.347 -1.435 1.00 1.47 C ATOM 968 CG PRO A 62 -1.412 -5.359 -0.273 1.00 1.29 C ATOM 969 CD PRO A 62 -2.153 -4.048 -0.606 1.00 0.82 C ATOM 0 HA PRO A 62 -2.623 -5.960 -3.362 1.00 0.01 H new ATOM 0 HB2 PRO A 62 -1.871 -7.340 -1.052 1.00 1.47 H new ATOM 0 HB3 PRO A 62 -0.727 -6.444 -2.032 1.00 1.47 H new ATOM 0 HG2 PRO A 62 -1.786 -5.780 0.660 1.00 1.29 H new ATOM 0 HG3 PRO A 62 -0.348 -5.169 -0.134 1.00 1.29 H new ATOM 0 HD2 PRO A 62 -2.844 -3.762 0.187 1.00 0.82 H new ATOM 0 HD3 PRO A 62 -1.462 -3.216 -0.742 1.00 0.82 H new ATOM 977 N GLN A 63 -4.307 -7.722 -2.465 1.00 0.02 N ATOM 978 CA GLN A 63 -5.586 -8.437 -2.182 1.00 0.00 C ATOM 979 C GLN A 63 -5.859 -8.464 -0.673 1.00 0.00 C ATOM 980 O GLN A 63 -4.955 -8.627 0.122 1.00 0.02 O ATOM 981 CB GLN A 63 -5.488 -9.872 -2.704 1.00 1.27 C ATOM 982 CG GLN A 63 -4.159 -10.487 -2.262 1.00 1.67 C ATOM 983 CD GLN A 63 -4.136 -11.972 -2.628 1.00 2.43 C ATOM 984 OE1 GLN A 63 -4.004 -12.819 -1.767 1.00 4.25 O ATOM 985 NE2 GLN A 63 -4.256 -12.327 -3.878 1.00 3.04 N ATOM 0 H GLN A 63 -3.639 -8.234 -3.041 1.00 0.02 H new ATOM 0 HA GLN A 63 -6.402 -7.914 -2.680 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -6.320 -10.466 -2.324 1.00 1.27 H new ATOM 0 HB3 GLN A 63 -5.561 -9.880 -3.792 1.00 1.27 H new ATOM 0 HG2 GLN A 63 -3.329 -9.970 -2.744 1.00 1.67 H new ATOM 0 HG3 GLN A 63 -4.030 -10.365 -1.187 1.00 1.67 H new ATOM 0 HE21 GLN A 63 -4.367 -11.617 -4.602 1.00 3.04 H new ATOM 0 HE22 GLN A 63 -4.239 -13.315 -4.132 1.00 3.04 H new ATOM 994 N GLY A 64 -7.096 -8.306 -0.265 1.00 0.02 N ATOM 995 CA GLY A 64 -7.400 -8.330 1.198 1.00 0.01 C ATOM 996 C GLY A 64 -8.688 -7.556 1.496 1.00 0.02 C ATOM 997 O GLY A 64 -9.356 -7.061 0.610 1.00 0.02 O ATOM 0 H GLY A 64 -7.900 -8.163 -0.876 1.00 0.02 H new ATOM 0 HA2 GLY A 64 -7.503 -9.361 1.536 1.00 0.01 H new ATOM 0 HA3 GLY A 64 -6.570 -7.893 1.754 1.00 0.01 H new ATOM 1001 N GLU A 65 -9.044 -7.462 2.755 1.00 0.02 N ATOM 1002 CA GLU A 65 -10.292 -6.736 3.160 1.00 0.02 C ATOM 1003 C GLU A 65 -9.938 -5.585 4.105 1.00 0.02 C ATOM 1004 O GLU A 65 -9.213 -5.753 5.067 1.00 0.02 O ATOM 1005 CB GLU A 65 -11.219 -7.717 3.883 1.00 0.77 C ATOM 1006 CG GLU A 65 -12.429 -6.965 4.438 1.00 0.49 C ATOM 1007 CD GLU A 65 -13.502 -7.968 4.866 1.00 0.67 C ATOM 1008 OE1 GLU A 65 -14.057 -8.620 3.998 1.00 0.96 O ATOM 1009 OE2 GLU A 65 -13.749 -8.067 6.056 1.00 0.71 O ATOM 0 H GLU A 65 -8.516 -7.863 3.530 1.00 0.02 H new ATOM 0 HA GLU A 65 -10.786 -6.334 2.276 1.00 0.02 H new ATOM 0 HB2 GLU A 65 -11.547 -8.497 3.196 1.00 0.77 H new ATOM 0 HB3 GLU A 65 -10.682 -8.211 4.693 1.00 0.77 H new ATOM 0 HG2 GLU A 65 -12.130 -6.351 5.288 1.00 0.49 H new ATOM 0 HG3 GLU A 65 -12.829 -6.289 3.682 1.00 0.49 H new ATOM 1016 N TYR A 66 -10.469 -4.414 3.836 1.00 0.02 N ATOM 1017 CA TYR A 66 -10.209 -3.223 4.702 1.00 0.02 C ATOM 1018 C TYR A 66 -11.566 -2.703 5.225 1.00 0.02 C ATOM 1019 O TYR A 66 -12.267 -2.013 4.506 1.00 0.02 O ATOM 1020 CB TYR A 66 -9.543 -2.144 3.846 1.00 0.01 C ATOM 1021 CG TYR A 66 -8.214 -2.664 3.352 1.00 0.02 C ATOM 1022 CD1 TYR A 66 -8.155 -3.441 2.189 1.00 0.02 C ATOM 1023 CD2 TYR A 66 -7.042 -2.379 4.063 1.00 0.01 C ATOM 1024 CE1 TYR A 66 -6.924 -3.930 1.738 1.00 0.02 C ATOM 1025 CE2 TYR A 66 -5.812 -2.871 3.612 1.00 0.02 C ATOM 1026 CZ TYR A 66 -5.753 -3.646 2.449 1.00 0.02 C ATOM 1027 OH TYR A 66 -4.541 -4.133 2.002 1.00 0.01 O ATOM 0 H TYR A 66 -11.081 -4.233 3.040 1.00 0.02 H new ATOM 0 HA TYR A 66 -9.562 -3.480 5.541 1.00 0.02 H new ATOM 0 HB2 TYR A 66 -10.183 -1.883 3.003 1.00 0.01 H new ATOM 0 HB3 TYR A 66 -9.399 -1.235 4.430 1.00 0.01 H new ATOM 0 HD1 TYR A 66 -9.059 -3.663 1.641 1.00 0.02 H new ATOM 0 HD2 TYR A 66 -7.087 -1.779 4.960 1.00 0.01 H new ATOM 0 HE1 TYR A 66 -6.878 -4.528 0.840 1.00 0.02 H new ATOM 0 HE2 TYR A 66 -4.908 -2.652 4.162 1.00 0.02 H new ATOM 0 HH TYR A 66 -3.828 -3.844 2.609 1.00 0.01 H new ATOM 1037 N PRO A 67 -11.965 -3.040 6.444 1.00 0.01 N ATOM 1038 CA PRO A 67 -13.285 -2.584 6.971 1.00 0.02 C ATOM 1039 C PRO A 67 -13.346 -1.078 7.273 1.00 0.02 C ATOM 1040 O PRO A 67 -14.390 -0.564 7.634 1.00 0.02 O ATOM 1041 CB PRO A 67 -13.451 -3.422 8.256 1.00 0.02 C ATOM 1042 CG PRO A 67 -12.122 -4.153 8.537 1.00 0.02 C ATOM 1043 CD PRO A 67 -11.156 -3.891 7.364 1.00 0.01 C ATOM 0 HA PRO A 67 -14.081 -2.726 6.240 1.00 0.02 H new ATOM 0 HB2 PRO A 67 -13.715 -2.780 9.096 1.00 0.02 H new ATOM 0 HB3 PRO A 67 -14.261 -4.141 8.137 1.00 0.02 H new ATOM 0 HG2 PRO A 67 -11.686 -3.799 9.471 1.00 0.02 H new ATOM 0 HG3 PRO A 67 -12.296 -5.223 8.651 1.00 0.02 H new ATOM 0 HD2 PRO A 67 -10.251 -3.381 7.693 1.00 0.01 H new ATOM 0 HD3 PRO A 67 -10.843 -4.818 6.885 1.00 0.01 H new ATOM 1051 N GLU A 68 -12.263 -0.361 7.123 1.00 0.01 N ATOM 1052 CA GLU A 68 -12.302 1.105 7.397 1.00 0.01 C ATOM 1053 C GLU A 68 -11.150 1.762 6.637 1.00 0.03 C ATOM 1054 O GLU A 68 -10.167 1.134 6.301 1.00 0.02 O ATOM 1055 CB GLU A 68 -12.120 1.368 8.897 1.00 0.69 C ATOM 1056 CG GLU A 68 -13.349 0.879 9.666 1.00 1.09 C ATOM 1057 CD GLU A 68 -13.327 1.457 11.082 1.00 1.35 C ATOM 1058 OE1 GLU A 68 -13.047 2.638 11.214 1.00 2.02 O ATOM 1059 OE2 GLU A 68 -13.589 0.710 12.010 1.00 1.55 O ATOM 0 H GLU A 68 -11.358 -0.725 6.824 1.00 0.01 H new ATOM 0 HA GLU A 68 -13.262 1.512 7.080 1.00 0.01 H new ATOM 0 HB2 GLU A 68 -11.227 0.857 9.259 1.00 0.69 H new ATOM 0 HB3 GLU A 68 -11.971 2.433 9.073 1.00 0.69 H new ATOM 0 HG2 GLU A 68 -14.259 1.185 9.151 1.00 1.09 H new ATOM 0 HG3 GLU A 68 -13.357 -0.210 9.706 1.00 1.09 H new ATOM 1066 N TYR A 69 -11.297 3.018 6.323 1.00 0.02 N ATOM 1067 CA TYR A 69 -10.251 3.718 5.530 1.00 0.02 C ATOM 1068 C TYR A 69 -8.897 3.726 6.249 1.00 0.01 C ATOM 1069 O TYR A 69 -7.859 3.578 5.635 1.00 0.01 O ATOM 1070 CB TYR A 69 -10.716 5.141 5.204 1.00 0.02 C ATOM 1071 CG TYR A 69 -10.613 6.020 6.428 1.00 0.02 C ATOM 1072 CD1 TYR A 69 -11.578 5.926 7.438 1.00 0.02 C ATOM 1073 CD2 TYR A 69 -9.560 6.937 6.550 1.00 0.02 C ATOM 1074 CE1 TYR A 69 -11.490 6.746 8.568 1.00 0.02 C ATOM 1075 CE2 TYR A 69 -9.472 7.756 7.681 1.00 0.02 C ATOM 1076 CZ TYR A 69 -10.437 7.662 8.690 1.00 0.02 C ATOM 1077 OH TYR A 69 -10.349 8.471 9.806 1.00 0.01 O ATOM 0 H TYR A 69 -12.100 3.591 6.583 1.00 0.02 H new ATOM 0 HA TYR A 69 -10.105 3.171 4.598 1.00 0.02 H new ATOM 0 HB2 TYR A 69 -10.108 5.554 4.399 1.00 0.02 H new ATOM 0 HB3 TYR A 69 -11.746 5.122 4.848 1.00 0.02 H new ATOM 0 HD1 TYR A 69 -12.390 5.220 7.345 1.00 0.02 H new ATOM 0 HD2 TYR A 69 -8.816 7.011 5.771 1.00 0.02 H new ATOM 0 HE1 TYR A 69 -12.234 6.673 9.347 1.00 0.02 H new ATOM 0 HE2 TYR A 69 -8.659 8.461 7.775 1.00 0.02 H new ATOM 0 HH TYR A 69 -9.559 9.046 9.731 1.00 0.01 H new ATOM 1087 N GLN A 70 -8.892 3.900 7.545 1.00 0.01 N ATOM 1088 CA GLN A 70 -7.604 3.911 8.296 1.00 0.02 C ATOM 1089 C GLN A 70 -6.869 2.576 8.111 1.00 0.01 C ATOM 1090 O GLN A 70 -5.666 2.493 8.249 1.00 0.02 O ATOM 1091 CB GLN A 70 -7.888 4.112 9.787 1.00 0.01 C ATOM 1092 CG GLN A 70 -8.856 5.280 9.976 1.00 0.01 C ATOM 1093 CD GLN A 70 -9.016 5.574 11.469 1.00 0.02 C ATOM 1094 OE1 GLN A 70 -9.826 4.964 12.137 1.00 0.01 O ATOM 1095 NE2 GLN A 70 -8.269 6.490 12.023 1.00 0.02 N ATOM 0 H GLN A 70 -9.727 4.035 8.116 1.00 0.01 H new ATOM 0 HA GLN A 70 -6.983 4.722 7.916 1.00 0.02 H new ATOM 0 HB2 GLN A 70 -8.313 3.203 10.212 1.00 0.01 H new ATOM 0 HB3 GLN A 70 -6.958 4.308 10.321 1.00 0.01 H new ATOM 0 HG2 GLN A 70 -8.482 6.163 9.459 1.00 0.01 H new ATOM 0 HG3 GLN A 70 -9.824 5.039 9.536 1.00 0.01 H new ATOM 0 HE21 GLN A 70 -7.589 7.002 11.461 1.00 0.02 H new ATOM 0 HE22 GLN A 70 -8.365 6.694 13.018 1.00 0.02 H new ATOM 1104 N ARG A 71 -7.595 1.535 7.796 1.00 0.01 N ATOM 1105 CA ARG A 71 -6.950 0.207 7.598 1.00 0.02 C ATOM 1106 C ARG A 71 -6.138 0.243 6.304 1.00 0.01 C ATOM 1107 O ARG A 71 -5.258 -0.565 6.074 1.00 0.02 O ATOM 1108 CB ARG A 71 -8.021 -0.886 7.511 1.00 0.34 C ATOM 1109 CG ARG A 71 -7.376 -2.277 7.685 1.00 0.72 C ATOM 1110 CD ARG A 71 -7.286 -2.638 9.174 1.00 1.04 C ATOM 1111 NE ARG A 71 -6.248 -3.689 9.366 1.00 1.67 N ATOM 1112 CZ ARG A 71 -5.787 -3.944 10.559 1.00 2.47 C ATOM 1113 NH1 ARG A 71 -6.239 -3.280 11.587 1.00 2.54 N ATOM 1114 NH2 ARG A 71 -4.875 -4.862 10.724 1.00 3.42 N ATOM 0 H ARG A 71 -8.607 1.549 7.668 1.00 0.01 H new ATOM 0 HA ARG A 71 -6.294 -0.014 8.440 1.00 0.02 H new ATOM 0 HB2 ARG A 71 -8.776 -0.728 8.281 1.00 0.34 H new ATOM 0 HB3 ARG A 71 -8.530 -0.831 6.549 1.00 0.34 H new ATOM 0 HG2 ARG A 71 -7.964 -3.027 7.157 1.00 0.72 H new ATOM 0 HG3 ARG A 71 -6.380 -2.282 7.241 1.00 0.72 H new ATOM 0 HD2 ARG A 71 -7.036 -1.753 9.760 1.00 1.04 H new ATOM 0 HD3 ARG A 71 -8.252 -2.995 9.532 1.00 1.04 H new ATOM 0 HE ARG A 71 -5.897 -4.210 8.563 1.00 1.67 H new ATOM 0 HH11 ARG A 71 -6.952 -2.562 11.457 1.00 2.54 H new ATOM 0 HH12 ARG A 71 -5.879 -3.479 12.521 1.00 2.54 H new ATOM 0 HH21 ARG A 71 -4.522 -5.381 9.920 1.00 3.42 H new ATOM 0 HH22 ARG A 71 -4.515 -5.061 11.657 1.00 3.42 H new ATOM 1128 N TRP A 72 -6.439 1.194 5.459 1.00 0.02 N ATOM 1129 CA TRP A 72 -5.720 1.342 4.160 1.00 0.01 C ATOM 1130 C TRP A 72 -4.822 2.584 4.268 1.00 0.01 C ATOM 1131 O TRP A 72 -4.245 3.046 3.305 1.00 0.02 O ATOM 1132 CB TRP A 72 -6.794 1.488 3.055 1.00 0.02 C ATOM 1133 CG TRP A 72 -6.341 2.365 1.928 1.00 0.01 C ATOM 1134 CD1 TRP A 72 -5.297 2.112 1.108 1.00 0.01 C ATOM 1135 CD2 TRP A 72 -6.920 3.625 1.481 1.00 0.02 C ATOM 1136 NE1 TRP A 72 -5.195 3.141 0.189 1.00 0.02 N ATOM 1137 CE2 TRP A 72 -6.172 4.098 0.379 1.00 0.02 C ATOM 1138 CE3 TRP A 72 -8.009 4.395 1.924 1.00 0.01 C ATOM 1139 CZ2 TRP A 72 -6.493 5.297 -0.262 1.00 0.02 C ATOM 1140 CZ3 TRP A 72 -8.336 5.601 1.283 1.00 0.02 C ATOM 1141 CH2 TRP A 72 -7.579 6.051 0.193 1.00 0.02 C ATOM 0 H TRP A 72 -7.169 1.889 5.619 1.00 0.02 H new ATOM 0 HA TRP A 72 -5.090 0.486 3.918 1.00 0.01 H new ATOM 0 HB2 TRP A 72 -7.046 0.502 2.665 1.00 0.02 H new ATOM 0 HB3 TRP A 72 -7.704 1.901 3.490 1.00 0.02 H new ATOM 0 HD1 TRP A 72 -4.649 1.249 1.161 1.00 0.01 H new ATOM 0 HE1 TRP A 72 -4.484 3.187 -0.541 1.00 0.02 H new ATOM 0 HE3 TRP A 72 -8.599 4.057 2.763 1.00 0.01 H new ATOM 0 HZ2 TRP A 72 -5.907 5.639 -1.102 1.00 0.02 H new ATOM 0 HZ3 TRP A 72 -9.175 6.185 1.632 1.00 0.02 H new ATOM 0 HH2 TRP A 72 -7.834 6.980 -0.295 1.00 0.02 H new ATOM 1152 N MET A 73 -4.703 3.111 5.455 1.00 0.02 N ATOM 1153 CA MET A 73 -3.853 4.317 5.676 1.00 0.02 C ATOM 1154 C MET A 73 -4.378 5.503 4.854 1.00 0.01 C ATOM 1155 O MET A 73 -3.657 6.433 4.549 1.00 0.02 O ATOM 1156 CB MET A 73 -2.408 4.014 5.269 1.00 0.02 C ATOM 1157 CG MET A 73 -2.012 2.624 5.773 1.00 0.01 C ATOM 1158 SD MET A 73 -0.212 2.445 5.694 1.00 0.01 S ATOM 1159 CE MET A 73 -0.058 1.121 6.918 1.00 0.01 C ATOM 0 H MET A 73 -5.164 2.754 6.292 1.00 0.02 H new ATOM 0 HA MET A 73 -3.889 4.578 6.734 1.00 0.02 H new ATOM 0 HB2 MET A 73 -2.308 4.061 4.185 1.00 0.02 H new ATOM 0 HB3 MET A 73 -1.738 4.767 5.684 1.00 0.02 H new ATOM 0 HG2 MET A 73 -2.358 2.485 6.797 1.00 0.01 H new ATOM 0 HG3 MET A 73 -2.492 1.855 5.167 1.00 0.01 H new ATOM 0 HE1 MET A 73 0.992 0.849 7.030 1.00 0.01 H new ATOM 0 HE2 MET A 73 -0.448 1.464 7.876 1.00 0.01 H new ATOM 0 HE3 MET A 73 -0.625 0.251 6.586 1.00 0.01 H new ATOM 1169 N GLY A 74 -5.635 5.467 4.493 1.00 0.02 N ATOM 1170 CA GLY A 74 -6.214 6.580 3.691 1.00 0.02 C ATOM 1171 C GLY A 74 -6.086 7.892 4.461 1.00 0.01 C ATOM 1172 O GLY A 74 -6.234 7.934 5.666 1.00 0.01 O ATOM 0 H GLY A 74 -6.284 4.713 4.720 1.00 0.02 H new ATOM 0 HA2 GLY A 74 -5.698 6.657 2.734 1.00 0.02 H new ATOM 0 HA3 GLY A 74 -7.262 6.376 3.473 1.00 0.02 H new ATOM 1176 N LEU A 75 -5.851 8.978 3.771 1.00 0.02 N ATOM 1177 CA LEU A 75 -5.766 10.291 4.471 1.00 0.02 C ATOM 1178 C LEU A 75 -7.206 10.765 4.733 1.00 0.01 C ATOM 1179 O LEU A 75 -7.495 11.410 5.723 1.00 0.02 O ATOM 1180 CB LEU A 75 -5.003 11.298 3.585 1.00 0.55 C ATOM 1181 CG LEU A 75 -4.260 12.323 4.453 1.00 0.58 C ATOM 1182 CD1 LEU A 75 -3.627 13.386 3.550 1.00 0.98 C ATOM 1183 CD2 LEU A 75 -5.239 12.992 5.427 1.00 0.42 C ATOM 0 H LEU A 75 -5.715 9.011 2.761 1.00 0.02 H new ATOM 0 HA LEU A 75 -5.227 10.205 5.415 1.00 0.02 H new ATOM 0 HB2 LEU A 75 -4.293 10.768 2.950 1.00 0.55 H new ATOM 0 HB3 LEU A 75 -5.701 11.811 2.923 1.00 0.55 H new ATOM 0 HG LEU A 75 -3.482 11.816 5.024 1.00 0.58 H new ATOM 0 HD11 LEU A 75 -3.098 14.116 4.163 1.00 0.98 H new ATOM 0 HD12 LEU A 75 -2.925 12.910 2.865 1.00 0.98 H new ATOM 0 HD13 LEU A 75 -4.407 13.889 2.978 1.00 0.98 H new ATOM 0 HD21 LEU A 75 -4.704 13.718 6.039 1.00 0.42 H new ATOM 0 HD22 LEU A 75 -6.023 13.499 4.864 1.00 0.42 H new ATOM 0 HD23 LEU A 75 -5.687 12.235 6.070 1.00 0.42 H new ATOM 1195 N ASN A 76 -8.113 10.412 3.858 1.00 0.01 N ATOM 1196 CA ASN A 76 -9.546 10.778 4.019 1.00 0.02 C ATOM 1197 C ASN A 76 -10.345 9.760 3.199 1.00 0.02 C ATOM 1198 O ASN A 76 -9.793 8.784 2.730 1.00 0.02 O ATOM 1199 CB ASN A 76 -9.788 12.196 3.493 1.00 0.02 C ATOM 1200 CG ASN A 76 -11.180 12.667 3.917 1.00 0.02 C ATOM 1201 OD1 ASN A 76 -12.152 12.652 3.049 1.00 0.01 O flip ATOM 1202 ND2 ASN A 76 -11.384 13.053 5.051 1.00 0.02 N flip ATOM 0 H ASN A 76 -7.910 9.871 3.017 1.00 0.01 H new ATOM 0 HA ASN A 76 -9.847 10.762 5.066 1.00 0.02 H new ATOM 0 HB2 ASN A 76 -9.029 12.874 3.882 1.00 0.02 H new ATOM 0 HB3 ASN A 76 -9.702 12.212 2.406 1.00 0.02 H new ATOM 0 HD21 ASN A 76 -10.623 13.065 5.730 1.00 0.02 H new ATOM 0 HD22 ASN A 76 -12.316 13.365 5.324 1.00 0.02 H new ATOM 1209 N ASP A 77 -11.629 9.946 3.025 1.00 0.01 N ATOM 1210 CA ASP A 77 -12.429 8.947 2.240 1.00 0.01 C ATOM 1211 C ASP A 77 -12.627 9.423 0.798 1.00 0.01 C ATOM 1212 O ASP A 77 -13.615 9.098 0.171 1.00 0.01 O ATOM 1213 CB ASP A 77 -13.802 8.779 2.894 1.00 0.01 C ATOM 1214 CG ASP A 77 -14.422 10.155 3.144 1.00 0.01 C ATOM 1215 OD1 ASP A 77 -14.205 11.038 2.331 1.00 0.02 O ATOM 1216 OD2 ASP A 77 -15.105 10.302 4.143 1.00 0.01 O ATOM 0 H ASP A 77 -12.158 10.739 3.388 1.00 0.01 H new ATOM 0 HA ASP A 77 -11.889 8.000 2.231 1.00 0.01 H new ATOM 0 HB2 ASP A 77 -14.453 8.187 2.250 1.00 0.01 H new ATOM 0 HB3 ASP A 77 -13.704 8.236 3.834 1.00 0.01 H new ATOM 1221 N ARG A 78 -11.716 10.203 0.263 1.00 0.01 N ATOM 1222 CA ARG A 78 -11.890 10.703 -1.141 1.00 0.01 C ATOM 1223 C ARG A 78 -11.111 9.830 -2.136 1.00 0.02 C ATOM 1224 O ARG A 78 -9.908 9.685 -2.044 1.00 0.02 O ATOM 1225 CB ARG A 78 -11.398 12.150 -1.228 1.00 0.43 C ATOM 1226 CG ARG A 78 -11.869 12.770 -2.545 1.00 0.80 C ATOM 1227 CD ARG A 78 -11.471 14.247 -2.589 1.00 1.00 C ATOM 1228 NE ARG A 78 -12.342 15.022 -1.661 1.00 1.30 N ATOM 1229 CZ ARG A 78 -12.007 16.235 -1.314 1.00 2.30 C ATOM 1230 NH1 ARG A 78 -10.914 16.770 -1.785 1.00 2.72 N ATOM 1231 NH2 ARG A 78 -12.765 16.913 -0.497 1.00 3.20 N ATOM 0 H ARG A 78 -10.866 10.513 0.733 1.00 0.01 H new ATOM 0 HA ARG A 78 -12.948 10.654 -1.400 1.00 0.01 H new ATOM 0 HB2 ARG A 78 -11.780 12.726 -0.385 1.00 0.43 H new ATOM 0 HB3 ARG A 78 -10.310 12.180 -1.168 1.00 0.43 H new ATOM 0 HG2 ARG A 78 -11.426 12.239 -3.387 1.00 0.80 H new ATOM 0 HG3 ARG A 78 -12.950 12.672 -2.639 1.00 0.80 H new ATOM 0 HD2 ARG A 78 -10.425 14.362 -2.305 1.00 1.00 H new ATOM 0 HD3 ARG A 78 -11.569 14.632 -3.604 1.00 1.00 H new ATOM 0 HE ARG A 78 -13.199 14.605 -1.297 1.00 1.30 H new ATOM 0 HH11 ARG A 78 -10.321 16.240 -2.424 1.00 2.72 H new ATOM 0 HH12 ARG A 78 -10.652 17.718 -1.514 1.00 2.72 H new ATOM 0 HH21 ARG A 78 -13.620 16.495 -0.129 1.00 3.20 H new ATOM 0 HH22 ARG A 78 -12.503 17.861 -0.226 1.00 3.20 H new ATOM 1245 N LEU A 79 -11.792 9.271 -3.104 1.00 0.01 N ATOM 1246 CA LEU A 79 -11.115 8.430 -4.144 1.00 0.01 C ATOM 1247 C LEU A 79 -11.792 8.717 -5.483 1.00 0.01 C ATOM 1248 O LEU A 79 -12.985 8.530 -5.625 1.00 0.02 O ATOM 1249 CB LEU A 79 -11.278 6.946 -3.804 1.00 1.04 C ATOM 1250 CG LEU A 79 -10.408 6.584 -2.591 1.00 1.85 C ATOM 1251 CD1 LEU A 79 -10.672 5.126 -2.200 1.00 2.40 C ATOM 1252 CD2 LEU A 79 -8.911 6.774 -2.926 1.00 2.61 C ATOM 0 H LEU A 79 -12.801 9.361 -3.221 1.00 0.01 H new ATOM 0 HA LEU A 79 -10.051 8.664 -4.186 1.00 0.01 H new ATOM 0 HB2 LEU A 79 -12.324 6.727 -3.590 1.00 1.04 H new ATOM 0 HB3 LEU A 79 -10.993 6.335 -4.661 1.00 1.04 H new ATOM 0 HG LEU A 79 -10.662 7.241 -1.759 1.00 1.85 H new ATOM 0 HD11 LEU A 79 -10.057 4.863 -1.339 1.00 2.40 H new ATOM 0 HD12 LEU A 79 -11.725 5.002 -1.945 1.00 2.40 H new ATOM 0 HD13 LEU A 79 -10.422 4.474 -3.037 1.00 2.40 H new ATOM 0 HD21 LEU A 79 -8.308 6.513 -2.056 1.00 2.61 H new ATOM 0 HD22 LEU A 79 -8.640 6.129 -3.762 1.00 2.61 H new ATOM 0 HD23 LEU A 79 -8.728 7.814 -3.196 1.00 2.61 H new ATOM 1264 N GLY A 80 -11.060 9.215 -6.455 1.00 0.02 N ATOM 1265 CA GLY A 80 -11.680 9.566 -7.774 1.00 0.02 C ATOM 1266 C GLY A 80 -11.268 8.601 -8.892 1.00 0.02 C ATOM 1267 O GLY A 80 -11.915 8.543 -9.918 1.00 0.01 O ATOM 0 H GLY A 80 -10.058 9.393 -6.390 1.00 0.02 H new ATOM 0 HA2 GLY A 80 -12.765 9.560 -7.675 1.00 0.02 H new ATOM 0 HA3 GLY A 80 -11.391 10.580 -8.049 1.00 0.02 H new ATOM 1271 N SER A 81 -10.213 7.840 -8.740 1.00 0.01 N ATOM 1272 CA SER A 81 -9.822 6.914 -9.848 1.00 0.01 C ATOM 1273 C SER A 81 -8.998 5.748 -9.304 1.00 0.02 C ATOM 1274 O SER A 81 -8.370 5.839 -8.267 1.00 0.01 O ATOM 1275 CB SER A 81 -8.997 7.684 -10.877 1.00 0.01 C ATOM 1276 OG SER A 81 -7.839 8.220 -10.249 1.00 0.01 O ATOM 0 H SER A 81 -9.615 7.818 -7.914 1.00 0.01 H new ATOM 0 HA SER A 81 -10.724 6.517 -10.314 1.00 0.01 H new ATOM 0 HB2 SER A 81 -8.708 7.024 -11.695 1.00 0.01 H new ATOM 0 HB3 SER A 81 -9.593 8.487 -11.311 1.00 0.01 H new ATOM 0 HG SER A 81 -8.078 9.039 -9.767 1.00 0.01 H new ATOM 1282 N CYS A 82 -9.003 4.644 -10.012 1.00 0.02 N ATOM 1283 CA CYS A 82 -8.225 3.449 -9.560 1.00 0.01 C ATOM 1284 C CYS A 82 -7.668 2.696 -10.774 1.00 0.01 C ATOM 1285 O CYS A 82 -8.273 2.665 -11.828 1.00 0.01 O ATOM 1286 CB CYS A 82 -9.136 2.518 -8.756 1.00 0.01 C ATOM 1287 SG CYS A 82 -10.389 1.806 -9.850 1.00 0.02 S ATOM 0 H CYS A 82 -9.514 4.520 -10.886 1.00 0.02 H new ATOM 0 HA CYS A 82 -7.397 3.780 -8.934 1.00 0.01 H new ATOM 0 HB2 CYS A 82 -8.547 1.725 -8.295 1.00 0.01 H new ATOM 0 HB3 CYS A 82 -9.615 3.070 -7.947 1.00 0.01 H new ATOM 0 HG CYS A 82 -9.979 1.875 -11.082 1.00 0.02 H new ATOM 1293 N ARG A 83 -6.520 2.081 -10.627 1.00 0.01 N ATOM 1294 CA ARG A 83 -5.909 1.314 -11.766 1.00 0.01 C ATOM 1295 C ARG A 83 -5.343 -0.011 -11.242 1.00 0.01 C ATOM 1296 O ARG A 83 -4.810 -0.086 -10.153 1.00 0.01 O ATOM 1297 CB ARG A 83 -4.745 2.116 -12.362 1.00 0.01 C ATOM 1298 CG ARG A 83 -5.273 3.392 -13.020 1.00 0.01 C ATOM 1299 CD ARG A 83 -4.107 4.341 -13.309 1.00 0.01 C ATOM 1300 NE ARG A 83 -2.970 3.568 -13.884 1.00 0.01 N ATOM 1301 CZ ARG A 83 -1.984 4.192 -14.471 1.00 0.01 C ATOM 1302 NH1 ARG A 83 -1.992 5.496 -14.552 1.00 0.01 N ATOM 1303 NH2 ARG A 83 -0.990 3.514 -14.975 1.00 0.01 N ATOM 0 H ARG A 83 -5.975 2.075 -9.765 1.00 0.01 H new ATOM 0 HA ARG A 83 -6.675 1.135 -12.521 1.00 0.01 H new ATOM 0 HB2 ARG A 83 -4.029 2.369 -11.580 1.00 0.01 H new ATOM 0 HB3 ARG A 83 -4.214 1.511 -13.097 1.00 0.01 H new ATOM 0 HG2 ARG A 83 -5.794 3.147 -13.946 1.00 0.01 H new ATOM 0 HG3 ARG A 83 -5.997 3.878 -12.366 1.00 0.01 H new ATOM 0 HD2 ARG A 83 -4.421 5.119 -14.005 1.00 0.01 H new ATOM 0 HD3 ARG A 83 -3.795 4.841 -12.392 1.00 0.01 H new ATOM 0 HE ARG A 83 -2.962 2.550 -13.819 1.00 0.01 H new ATOM 0 HH11 ARG A 83 -2.768 6.027 -14.157 1.00 0.01 H new ATOM 0 HH12 ARG A 83 -1.222 5.983 -15.010 1.00 0.01 H new ATOM 0 HH21 ARG A 83 -0.982 2.496 -14.911 1.00 0.01 H new ATOM 0 HH22 ARG A 83 -0.220 4.002 -15.433 1.00 0.01 H new ATOM 1317 N ALA A 84 -5.462 -1.062 -12.014 1.00 0.01 N ATOM 1318 CA ALA A 84 -4.937 -2.385 -11.566 1.00 0.01 C ATOM 1319 C ALA A 84 -3.421 -2.445 -11.785 1.00 0.01 C ATOM 1320 O ALA A 84 -2.917 -2.112 -12.838 1.00 0.00 O ATOM 1321 CB ALA A 84 -5.602 -3.498 -12.381 1.00 0.43 C ATOM 0 H ALA A 84 -5.900 -1.060 -12.935 1.00 0.01 H new ATOM 0 HA ALA A 84 -5.157 -2.516 -10.507 1.00 0.01 H new ATOM 0 HB1 ALA A 84 -5.220 -4.465 -12.055 1.00 0.43 H new ATOM 0 HB2 ALA A 84 -6.681 -3.465 -12.230 1.00 0.43 H new ATOM 0 HB3 ALA A 84 -5.379 -3.357 -13.439 1.00 0.43 H new ATOM 1327 N VAL A 85 -2.700 -2.892 -10.790 1.00 0.01 N ATOM 1328 CA VAL A 85 -1.217 -3.010 -10.909 1.00 0.01 C ATOM 1329 C VAL A 85 -0.866 -4.417 -11.402 1.00 0.01 C ATOM 1330 O VAL A 85 -1.255 -5.403 -10.808 1.00 0.01 O ATOM 1331 CB VAL A 85 -0.575 -2.772 -9.540 1.00 0.98 C ATOM 1332 CG1 VAL A 85 0.941 -2.663 -9.694 1.00 1.25 C ATOM 1333 CG2 VAL A 85 -1.116 -1.472 -8.943 1.00 1.12 C ATOM 0 H VAL A 85 -3.081 -3.184 -9.890 1.00 0.01 H new ATOM 0 HA VAL A 85 -0.843 -2.269 -11.616 1.00 0.01 H new ATOM 0 HB VAL A 85 -0.814 -3.607 -8.881 1.00 0.98 H new ATOM 0 HG11 VAL A 85 1.395 -2.494 -8.717 1.00 1.25 H new ATOM 0 HG12 VAL A 85 1.331 -3.588 -10.120 1.00 1.25 H new ATOM 0 HG13 VAL A 85 1.181 -1.830 -10.355 1.00 1.25 H new ATOM 0 HG21 VAL A 85 -0.659 -1.302 -7.968 1.00 1.12 H new ATOM 0 HG22 VAL A 85 -0.877 -0.640 -9.606 1.00 1.12 H new ATOM 0 HG23 VAL A 85 -2.197 -1.546 -8.829 1.00 1.12 H new ATOM 1343 N HIS A 86 -0.132 -4.532 -12.478 1.00 0.01 N ATOM 1344 CA HIS A 86 0.241 -5.887 -12.989 1.00 0.01 C ATOM 1345 C HIS A 86 1.613 -6.275 -12.434 1.00 0.01 C ATOM 1346 O HIS A 86 2.552 -5.505 -12.476 1.00 0.00 O ATOM 1347 CB HIS A 86 0.311 -5.850 -14.516 1.00 0.21 C ATOM 1348 CG HIS A 86 -1.042 -5.497 -15.069 1.00 0.71 C ATOM 1349 ND1 HIS A 86 -1.433 -4.186 -15.285 1.00 1.26 N ATOM 1350 CD2 HIS A 86 -2.105 -6.274 -15.457 1.00 1.20 C ATOM 1351 CE1 HIS A 86 -2.682 -4.211 -15.782 1.00 1.77 C ATOM 1352 NE2 HIS A 86 -3.140 -5.460 -15.907 1.00 1.71 N ATOM 0 H HIS A 86 0.225 -3.749 -13.025 1.00 0.01 H new ATOM 0 HA HIS A 86 -0.505 -6.616 -12.672 1.00 0.01 H new ATOM 0 HB2 HIS A 86 1.051 -5.118 -14.840 1.00 0.21 H new ATOM 0 HB3 HIS A 86 0.632 -6.818 -14.900 1.00 0.21 H new ATOM 0 HD2 HIS A 86 -2.134 -7.353 -15.419 1.00 1.20 H new ATOM 0 HE1 HIS A 86 -3.246 -3.329 -16.048 1.00 1.77 H new ATOM 0 HE2 HIS A 86 -4.052 -5.754 -16.257 1.00 1.71 H new ATOM 1360 N LEU A 87 1.735 -7.469 -11.912 1.00 0.01 N ATOM 1361 CA LEU A 87 3.043 -7.924 -11.348 1.00 0.01 C ATOM 1362 C LEU A 87 3.780 -8.740 -12.415 1.00 0.01 C ATOM 1363 O LEU A 87 3.186 -9.537 -13.115 1.00 0.01 O ATOM 1364 CB LEU A 87 2.771 -8.808 -10.115 1.00 0.67 C ATOM 1365 CG LEU A 87 1.546 -8.289 -9.353 1.00 1.25 C ATOM 1366 CD1 LEU A 87 1.350 -9.121 -8.082 1.00 1.63 C ATOM 1367 CD2 LEU A 87 1.762 -6.823 -8.970 1.00 1.34 C ATOM 0 H LEU A 87 0.980 -8.153 -11.852 1.00 0.01 H new ATOM 0 HA LEU A 87 3.652 -7.068 -11.056 1.00 0.01 H new ATOM 0 HB2 LEU A 87 2.605 -9.839 -10.427 1.00 0.67 H new ATOM 0 HB3 LEU A 87 3.642 -8.810 -9.460 1.00 0.67 H new ATOM 0 HG LEU A 87 0.663 -8.372 -9.987 1.00 1.25 H new ATOM 0 HD11 LEU A 87 0.480 -8.754 -7.538 1.00 1.63 H new ATOM 0 HD12 LEU A 87 1.196 -10.166 -8.351 1.00 1.63 H new ATOM 0 HD13 LEU A 87 2.235 -9.036 -7.451 1.00 1.63 H new ATOM 0 HD21 LEU A 87 0.890 -6.456 -8.428 1.00 1.34 H new ATOM 0 HD22 LEU A 87 2.645 -6.739 -8.336 1.00 1.34 H new ATOM 0 HD23 LEU A 87 1.905 -6.229 -9.872 1.00 1.34 H new ATOM 1379 N SER A 88 5.075 -8.563 -12.530 1.00 0.01 N ATOM 1380 CA SER A 88 5.877 -9.334 -13.530 1.00 0.01 C ATOM 1381 C SER A 88 6.799 -10.309 -12.794 1.00 0.01 C ATOM 1382 O SER A 88 7.562 -9.894 -11.945 1.00 0.01 O ATOM 1383 CB SER A 88 6.734 -8.375 -14.358 1.00 0.81 C ATOM 1384 OG SER A 88 7.638 -7.692 -13.499 1.00 1.08 O ATOM 0 H SER A 88 5.616 -7.908 -11.965 1.00 0.01 H new ATOM 0 HA SER A 88 5.200 -9.880 -14.187 1.00 0.01 H new ATOM 0 HB2 SER A 88 7.285 -8.927 -15.120 1.00 0.81 H new ATOM 0 HB3 SER A 88 6.099 -7.659 -14.880 1.00 0.81 H new ATOM 0 HG SER A 88 8.045 -8.331 -12.878 1.00 1.08 H new ATOM 1390 N SER A 89 6.801 -11.576 -13.125 1.00 0.01 N ATOM 1391 CA SER A 89 7.750 -12.524 -12.454 1.00 0.01 C ATOM 1392 C SER A 89 8.864 -12.813 -13.460 1.00 0.01 C ATOM 1393 O SER A 89 9.094 -12.018 -14.349 1.00 0.01 O ATOM 1394 CB SER A 89 7.017 -13.818 -12.098 1.00 0.43 C ATOM 1395 OG SER A 89 5.996 -13.535 -11.150 1.00 1.26 O ATOM 0 H SER A 89 6.191 -11.996 -13.827 1.00 0.01 H new ATOM 0 HA SER A 89 8.154 -12.099 -11.535 1.00 0.01 H new ATOM 0 HB2 SER A 89 6.584 -14.262 -12.994 1.00 0.43 H new ATOM 0 HB3 SER A 89 7.718 -14.545 -11.688 1.00 0.43 H new ATOM 0 HG SER A 89 5.523 -14.363 -10.921 1.00 1.26 H new ATOM 1401 N GLY A 90 9.535 -13.940 -13.386 1.00 0.01 N ATOM 1402 CA GLY A 90 10.594 -14.246 -14.404 1.00 0.00 C ATOM 1403 C GLY A 90 11.855 -14.856 -13.782 1.00 0.00 C ATOM 1404 O GLY A 90 12.307 -15.898 -14.210 1.00 0.01 O ATOM 0 H GLY A 90 9.397 -14.655 -12.672 1.00 0.01 H new ATOM 0 HA2 GLY A 90 10.190 -14.935 -15.146 1.00 0.00 H new ATOM 0 HA3 GLY A 90 10.861 -13.330 -14.931 1.00 0.00 H new ATOM 1408 N GLY A 91 12.437 -14.241 -12.785 1.00 0.00 N ATOM 1409 CA GLY A 91 13.662 -14.850 -12.192 1.00 0.00 C ATOM 1410 C GLY A 91 14.231 -13.998 -11.051 1.00 0.00 C ATOM 1411 O GLY A 91 13.738 -14.050 -9.942 1.00 0.01 O ATOM 0 H GLY A 91 12.126 -13.365 -12.365 1.00 0.00 H new ATOM 0 HA2 GLY A 91 13.427 -15.847 -11.818 1.00 0.00 H new ATOM 0 HA3 GLY A 91 14.419 -14.970 -12.967 1.00 0.00 H new ATOM 1415 N GLN A 92 15.275 -13.239 -11.295 1.00 1.80 N ATOM 1416 CA GLN A 92 15.892 -12.409 -10.200 1.00 2.31 C ATOM 1417 C GLN A 92 15.884 -10.925 -10.578 1.00 1.91 C ATOM 1418 O GLN A 92 16.472 -10.507 -11.556 1.00 2.31 O ATOM 1419 CB GLN A 92 17.326 -12.888 -9.970 1.00 2.11 C ATOM 1420 CG GLN A 92 17.875 -12.261 -8.687 1.00 2.86 C ATOM 1421 CD GLN A 92 19.325 -12.702 -8.479 1.00 3.70 C ATOM 1422 OE1 GLN A 92 19.645 -13.325 -7.487 1.00 3.99 O ATOM 1423 NE2 GLN A 92 20.222 -12.403 -9.378 1.00 4.43 N ATOM 0 H GLN A 92 15.729 -13.156 -12.205 1.00 1.80 H new ATOM 0 HA GLN A 92 15.311 -12.525 -9.285 1.00 2.31 H new ATOM 0 HB2 GLN A 92 17.350 -13.975 -9.895 1.00 2.11 H new ATOM 0 HB3 GLN A 92 17.953 -12.613 -10.818 1.00 2.11 H new ATOM 0 HG2 GLN A 92 17.820 -11.174 -8.749 1.00 2.86 H new ATOM 0 HG3 GLN A 92 17.267 -12.562 -7.834 1.00 2.86 H new ATOM 0 HE21 GLN A 92 19.954 -11.880 -10.212 1.00 4.43 H new ATOM 0 HE22 GLN A 92 21.191 -12.693 -9.247 1.00 4.43 H new ATOM 1432 N ALA A 93 15.207 -10.135 -9.788 1.00 0.01 N ATOM 1433 CA ALA A 93 15.141 -8.673 -10.079 1.00 0.01 C ATOM 1434 C ALA A 93 16.435 -7.997 -9.603 1.00 0.01 C ATOM 1435 O ALA A 93 16.866 -8.187 -8.483 1.00 0.01 O ATOM 1436 CB ALA A 93 13.944 -8.059 -9.350 1.00 2.99 C ATOM 0 H ALA A 93 14.699 -10.437 -8.957 1.00 0.01 H new ATOM 0 HA ALA A 93 15.027 -8.522 -11.152 1.00 0.01 H new ATOM 0 HB1 ALA A 93 13.897 -6.991 -9.563 1.00 2.99 H new ATOM 0 HB2 ALA A 93 13.026 -8.538 -9.690 1.00 2.99 H new ATOM 0 HB3 ALA A 93 14.055 -8.210 -8.276 1.00 2.99 H new ATOM 1442 N LYS A 94 17.056 -7.216 -10.450 1.00 0.00 N ATOM 1443 CA LYS A 94 18.331 -6.520 -10.069 1.00 0.01 C ATOM 1444 C LYS A 94 18.210 -5.030 -10.412 1.00 0.01 C ATOM 1445 O LYS A 94 17.615 -4.668 -11.408 1.00 0.01 O ATOM 1446 CB LYS A 94 19.474 -7.151 -10.867 1.00 2.49 C ATOM 1447 CG LYS A 94 20.813 -6.589 -10.374 1.00 3.43 C ATOM 1448 CD LYS A 94 21.956 -7.082 -11.275 1.00 4.11 C ATOM 1449 CE LYS A 94 22.332 -8.523 -10.908 1.00 5.23 C ATOM 1450 NZ LYS A 94 23.558 -8.919 -11.657 1.00 6.36 N ATOM 0 H LYS A 94 16.734 -7.027 -11.399 1.00 0.00 H new ATOM 0 HA LYS A 94 18.524 -6.622 -9.001 1.00 0.01 H new ATOM 0 HB2 LYS A 94 19.458 -8.235 -10.751 1.00 2.49 H new ATOM 0 HB3 LYS A 94 19.349 -6.942 -11.929 1.00 2.49 H new ATOM 0 HG2 LYS A 94 20.782 -5.499 -10.376 1.00 3.43 H new ATOM 0 HG3 LYS A 94 20.990 -6.901 -9.345 1.00 3.43 H new ATOM 0 HD2 LYS A 94 21.653 -7.032 -12.321 1.00 4.11 H new ATOM 0 HD3 LYS A 94 22.824 -6.432 -11.164 1.00 4.11 H new ATOM 0 HE2 LYS A 94 22.506 -8.603 -9.835 1.00 5.23 H new ATOM 0 HE3 LYS A 94 21.511 -9.198 -11.149 1.00 5.23 H new ATOM 0 HZ1 LYS A 94 23.815 -9.896 -11.410 1.00 6.36 H new ATOM 0 HZ2 LYS A 94 23.376 -8.857 -12.679 1.00 6.36 H new ATOM 0 HZ3 LYS A 94 24.340 -8.281 -11.405 1.00 6.36 H new ATOM 1464 N ILE A 95 18.752 -4.161 -9.584 1.00 0.00 N ATOM 1465 CA ILE A 95 18.652 -2.686 -9.851 1.00 0.01 C ATOM 1466 C ILE A 95 20.041 -2.039 -9.775 1.00 0.01 C ATOM 1467 O ILE A 95 20.864 -2.387 -8.949 1.00 0.01 O ATOM 1468 CB ILE A 95 17.731 -2.057 -8.796 1.00 0.34 C ATOM 1469 CG1 ILE A 95 17.846 -0.526 -8.842 1.00 0.30 C ATOM 1470 CG2 ILE A 95 18.131 -2.554 -7.406 1.00 0.36 C ATOM 1471 CD1 ILE A 95 16.670 0.101 -8.092 1.00 1.09 C ATOM 0 H ILE A 95 19.259 -4.411 -8.735 1.00 0.00 H new ATOM 0 HA ILE A 95 18.246 -2.522 -10.849 1.00 0.01 H new ATOM 0 HB ILE A 95 16.701 -2.345 -9.007 1.00 0.34 H new ATOM 0 HG12 ILE A 95 18.787 -0.209 -8.393 1.00 0.30 H new ATOM 0 HG13 ILE A 95 17.855 -0.183 -9.877 1.00 0.30 H new ATOM 0 HG21 ILE A 95 17.477 -2.107 -6.658 1.00 0.36 H new ATOM 0 HG22 ILE A 95 18.038 -3.639 -7.367 1.00 0.36 H new ATOM 0 HG23 ILE A 95 19.163 -2.270 -7.201 1.00 0.36 H new ATOM 0 HD11 ILE A 95 16.754 1.187 -8.126 1.00 1.09 H new ATOM 0 HD12 ILE A 95 15.735 -0.205 -8.560 1.00 1.09 H new ATOM 0 HD13 ILE A 95 16.682 -0.231 -7.054 1.00 1.09 H new ATOM 1483 N GLN A 96 20.276 -1.053 -10.610 1.00 0.01 N ATOM 1484 CA GLN A 96 21.572 -0.305 -10.589 1.00 0.01 C ATOM 1485 C GLN A 96 21.249 1.171 -10.340 1.00 0.01 C ATOM 1486 O GLN A 96 20.353 1.712 -10.956 1.00 0.00 O ATOM 1487 CB GLN A 96 22.302 -0.465 -11.925 1.00 0.53 C ATOM 1488 CG GLN A 96 21.332 -0.229 -13.076 1.00 0.82 C ATOM 1489 CD GLN A 96 22.062 -0.430 -14.407 1.00 1.25 C ATOM 1490 OE1 GLN A 96 22.821 0.418 -14.831 1.00 1.75 O ATOM 1491 NE2 GLN A 96 21.861 -1.526 -15.089 1.00 2.05 N ATOM 0 H GLN A 96 19.613 -0.731 -11.315 1.00 0.01 H new ATOM 0 HA GLN A 96 22.222 -0.694 -9.805 1.00 0.01 H new ATOM 0 HB2 GLN A 96 23.130 0.242 -11.984 1.00 0.53 H new ATOM 0 HB3 GLN A 96 22.731 -1.465 -11.998 1.00 0.53 H new ATOM 0 HG2 GLN A 96 20.490 -0.917 -13.003 1.00 0.82 H new ATOM 0 HG3 GLN A 96 20.924 0.780 -13.021 1.00 0.82 H new ATOM 0 HE21 GLN A 96 21.224 -2.238 -14.733 1.00 2.05 H new ATOM 0 HE22 GLN A 96 22.341 -1.669 -15.977 1.00 2.05 H new ATOM 1500 N VAL A 97 21.952 1.838 -9.454 1.00 0.01 N ATOM 1501 CA VAL A 97 21.657 3.289 -9.182 1.00 0.01 C ATOM 1502 C VAL A 97 22.923 4.128 -9.395 1.00 0.01 C ATOM 1503 O VAL A 97 24.025 3.682 -9.145 1.00 0.01 O ATOM 1504 CB VAL A 97 21.185 3.444 -7.735 1.00 0.77 C ATOM 1505 CG1 VAL A 97 19.787 2.844 -7.577 1.00 1.10 C ATOM 1506 CG2 VAL A 97 22.159 2.717 -6.806 1.00 1.03 C ATOM 0 H VAL A 97 22.717 1.444 -8.906 1.00 0.01 H new ATOM 0 HA VAL A 97 20.880 3.633 -9.865 1.00 0.01 H new ATOM 0 HB VAL A 97 21.151 4.503 -7.478 1.00 0.77 H new ATOM 0 HG11 VAL A 97 19.457 2.958 -6.544 1.00 1.10 H new ATOM 0 HG12 VAL A 97 19.092 3.361 -8.239 1.00 1.10 H new ATOM 0 HG13 VAL A 97 19.814 1.785 -7.835 1.00 1.10 H new ATOM 0 HG21 VAL A 97 21.826 2.825 -5.774 1.00 1.03 H new ATOM 0 HG22 VAL A 97 22.191 1.659 -7.068 1.00 1.03 H new ATOM 0 HG23 VAL A 97 23.154 3.148 -6.913 1.00 1.03 H new ATOM 1516 N PHE A 98 22.760 5.339 -9.881 1.00 0.01 N ATOM 1517 CA PHE A 98 23.940 6.230 -10.152 1.00 0.01 C ATOM 1518 C PHE A 98 23.862 7.510 -9.311 1.00 0.01 C ATOM 1519 O PHE A 98 22.807 8.062 -9.077 1.00 0.01 O ATOM 1520 CB PHE A 98 23.956 6.599 -11.634 1.00 0.25 C ATOM 1521 CG PHE A 98 24.261 5.366 -12.454 1.00 0.36 C ATOM 1522 CD1 PHE A 98 23.241 4.457 -12.762 1.00 0.42 C ATOM 1523 CD2 PHE A 98 25.565 5.134 -12.907 1.00 0.58 C ATOM 1524 CE1 PHE A 98 23.526 3.318 -13.524 1.00 0.56 C ATOM 1525 CE2 PHE A 98 25.849 3.994 -13.669 1.00 0.73 C ATOM 1526 CZ PHE A 98 24.830 3.087 -13.978 1.00 0.69 C ATOM 0 H PHE A 98 21.854 5.752 -10.103 1.00 0.01 H new ATOM 0 HA PHE A 98 24.852 5.696 -9.885 1.00 0.01 H new ATOM 0 HB2 PHE A 98 22.992 7.015 -11.927 1.00 0.25 H new ATOM 0 HB3 PHE A 98 24.705 7.368 -11.821 1.00 0.25 H new ATOM 0 HD1 PHE A 98 22.235 4.635 -12.412 1.00 0.42 H new ATOM 0 HD2 PHE A 98 26.352 5.834 -12.669 1.00 0.58 H new ATOM 0 HE1 PHE A 98 22.740 2.617 -13.762 1.00 0.56 H new ATOM 0 HE2 PHE A 98 26.855 3.815 -14.018 1.00 0.73 H new ATOM 0 HZ PHE A 98 25.049 2.209 -14.567 1.00 0.69 H new ATOM 1536 N GLU A 99 24.993 7.949 -8.828 1.00 0.01 N ATOM 1537 CA GLU A 99 25.031 9.161 -7.961 1.00 0.01 C ATOM 1538 C GLU A 99 24.655 10.433 -8.740 1.00 0.01 C ATOM 1539 O GLU A 99 24.114 11.360 -8.170 1.00 0.01 O ATOM 1540 CB GLU A 99 26.441 9.319 -7.380 1.00 0.01 C ATOM 1541 CG GLU A 99 26.553 10.653 -6.630 1.00 0.01 C ATOM 1542 CD GLU A 99 27.773 10.623 -5.707 1.00 0.01 C ATOM 1543 OE1 GLU A 99 27.786 9.803 -4.803 1.00 0.02 O ATOM 1544 OE2 GLU A 99 28.671 11.418 -5.920 1.00 0.01 O ATOM 0 H GLU A 99 25.900 7.515 -8.999 1.00 0.01 H new ATOM 0 HA GLU A 99 24.300 9.029 -7.163 1.00 0.01 H new ATOM 0 HB2 GLU A 99 26.659 8.493 -6.704 1.00 0.01 H new ATOM 0 HB3 GLU A 99 27.180 9.279 -8.181 1.00 0.01 H new ATOM 0 HG2 GLU A 99 26.642 11.475 -7.341 1.00 0.01 H new ATOM 0 HG3 GLU A 99 25.649 10.832 -6.048 1.00 0.01 H new ATOM 1551 N LYS A 100 24.940 10.501 -10.024 1.00 0.01 N ATOM 1552 CA LYS A 100 24.599 11.735 -10.813 1.00 0.01 C ATOM 1553 C LYS A 100 23.572 11.408 -11.902 1.00 0.01 C ATOM 1554 O LYS A 100 23.288 10.260 -12.193 1.00 0.01 O ATOM 1555 CB LYS A 100 25.865 12.302 -11.456 1.00 0.94 C ATOM 1556 CG LYS A 100 26.827 12.773 -10.365 1.00 1.63 C ATOM 1557 CD LYS A 100 28.189 13.098 -10.985 1.00 2.19 C ATOM 1558 CE LYS A 100 29.018 13.933 -10.005 1.00 2.84 C ATOM 1559 NZ LYS A 100 30.303 14.321 -10.649 1.00 3.18 N ATOM 0 H LYS A 100 25.392 9.759 -10.558 1.00 0.01 H new ATOM 0 HA LYS A 100 24.170 12.474 -10.137 1.00 0.01 H new ATOM 0 HB2 LYS A 100 26.343 11.542 -12.073 1.00 0.94 H new ATOM 0 HB3 LYS A 100 25.610 13.133 -12.114 1.00 0.94 H new ATOM 0 HG2 LYS A 100 26.424 13.654 -9.866 1.00 1.63 H new ATOM 0 HG3 LYS A 100 26.938 11.999 -9.605 1.00 1.63 H new ATOM 0 HD2 LYS A 100 28.717 12.176 -11.229 1.00 2.19 H new ATOM 0 HD3 LYS A 100 28.053 13.644 -11.918 1.00 2.19 H new ATOM 0 HE2 LYS A 100 28.463 14.824 -9.709 1.00 2.84 H new ATOM 0 HE3 LYS A 100 29.212 13.362 -9.097 1.00 2.84 H new ATOM 0 HZ1 LYS A 100 30.867 14.888 -9.984 1.00 3.18 H new ATOM 0 HZ2 LYS A 100 30.833 13.465 -10.910 1.00 3.18 H new ATOM 0 HZ3 LYS A 100 30.108 14.881 -11.503 1.00 3.18 H new ATOM 1573 N GLY A 101 23.014 12.428 -12.497 1.00 0.01 N ATOM 1574 CA GLY A 101 21.983 12.230 -13.559 1.00 0.01 C ATOM 1575 C GLY A 101 22.596 11.592 -14.808 1.00 0.00 C ATOM 1576 O GLY A 101 23.796 11.582 -15.001 1.00 0.01 O ATOM 0 H GLY A 101 23.231 13.403 -12.290 1.00 0.01 H new ATOM 0 HA2 GLY A 101 21.182 11.596 -13.179 1.00 0.01 H new ATOM 0 HA3 GLY A 101 21.535 13.189 -13.819 1.00 0.01 H new ATOM 1580 N ASP A 102 21.755 11.077 -15.665 1.00 0.01 N ATOM 1581 CA ASP A 102 22.226 10.445 -16.929 1.00 0.00 C ATOM 1582 C ASP A 102 23.215 9.316 -16.643 1.00 0.00 C ATOM 1583 O ASP A 102 24.177 9.114 -17.358 1.00 0.01 O ATOM 1584 CB ASP A 102 22.901 11.504 -17.803 1.00 0.01 C ATOM 1585 CG ASP A 102 23.127 10.938 -19.206 1.00 0.01 C ATOM 1586 OD1 ASP A 102 22.354 10.085 -19.613 1.00 0.01 O ATOM 1587 OD2 ASP A 102 24.069 11.366 -19.851 1.00 0.01 O ATOM 0 H ASP A 102 20.743 11.068 -15.538 1.00 0.01 H new ATOM 0 HA ASP A 102 21.364 10.024 -17.447 1.00 0.00 H new ATOM 0 HB2 ASP A 102 22.279 12.398 -17.856 1.00 0.01 H new ATOM 0 HB3 ASP A 102 23.852 11.803 -17.362 1.00 0.01 H new ATOM 1592 N PHE A 103 22.954 8.554 -15.615 1.00 0.01 N ATOM 1593 CA PHE A 103 23.833 7.402 -15.279 1.00 0.01 C ATOM 1594 C PHE A 103 25.298 7.836 -15.195 1.00 0.00 C ATOM 1595 O PHE A 103 26.152 7.285 -15.860 1.00 0.01 O ATOM 1596 CB PHE A 103 23.684 6.329 -16.359 1.00 0.01 C ATOM 1597 CG PHE A 103 22.222 6.149 -16.692 1.00 0.00 C ATOM 1598 CD1 PHE A 103 21.409 5.366 -15.865 1.00 0.01 C ATOM 1599 CD2 PHE A 103 21.683 6.765 -17.828 1.00 0.01 C ATOM 1600 CE1 PHE A 103 20.053 5.199 -16.175 1.00 0.01 C ATOM 1601 CE2 PHE A 103 20.330 6.598 -18.137 1.00 0.01 C ATOM 1602 CZ PHE A 103 19.514 5.816 -17.311 1.00 0.01 C ATOM 0 H PHE A 103 22.160 8.684 -14.988 1.00 0.01 H new ATOM 0 HA PHE A 103 23.535 7.007 -14.308 1.00 0.01 H new ATOM 0 HB2 PHE A 103 24.238 6.617 -17.252 1.00 0.01 H new ATOM 0 HB3 PHE A 103 24.107 5.387 -16.011 1.00 0.01 H new ATOM 0 HD1 PHE A 103 21.826 4.891 -14.989 1.00 0.01 H new ATOM 0 HD2 PHE A 103 22.312 7.369 -18.465 1.00 0.01 H new ATOM 0 HE1 PHE A 103 19.424 4.595 -15.538 1.00 0.01 H new ATOM 0 HE2 PHE A 103 19.914 7.073 -19.013 1.00 0.01 H new ATOM 0 HZ PHE A 103 18.468 5.688 -17.550 1.00 0.01 H new ATOM 1612 N ASN A 104 25.600 8.801 -14.361 1.00 0.00 N ATOM 1613 CA ASN A 104 27.017 9.259 -14.200 1.00 0.01 C ATOM 1614 C ASN A 104 27.341 9.279 -12.705 1.00 0.01 C ATOM 1615 O ASN A 104 26.457 9.194 -11.877 1.00 0.01 O ATOM 1616 CB ASN A 104 27.177 10.669 -14.782 1.00 1.68 C ATOM 1617 CG ASN A 104 28.563 11.218 -14.433 1.00 2.31 C ATOM 1618 OD1 ASN A 104 28.693 12.058 -13.565 1.00 3.15 O ATOM 1619 ND2 ASN A 104 29.609 10.776 -15.077 1.00 2.38 N ATOM 0 H ASN A 104 24.922 9.295 -13.781 1.00 0.00 H new ATOM 0 HA ASN A 104 27.694 8.586 -14.727 1.00 0.01 H new ATOM 0 HB2 ASN A 104 27.048 10.643 -15.864 1.00 1.68 H new ATOM 0 HB3 ASN A 104 26.404 11.327 -14.384 1.00 1.68 H new ATOM 0 HD21 ASN A 104 30.536 11.136 -14.852 1.00 2.38 H new ATOM 0 HD22 ASN A 104 29.499 10.071 -15.806 1.00 2.38 H new ATOM 1626 N GLY A 105 28.593 9.377 -12.345 1.00 0.01 N ATOM 1627 CA GLY A 105 28.955 9.391 -10.895 1.00 0.01 C ATOM 1628 C GLY A 105 29.248 7.962 -10.438 1.00 0.01 C ATOM 1629 O GLY A 105 29.433 7.073 -11.244 1.00 0.01 O ATOM 0 H GLY A 105 29.380 9.448 -12.990 1.00 0.01 H new ATOM 0 HA2 GLY A 105 29.827 10.024 -10.731 1.00 0.01 H new ATOM 0 HA3 GLY A 105 28.140 9.814 -10.308 1.00 0.01 H new ATOM 1633 N GLN A 106 29.278 7.723 -9.156 1.00 0.01 N ATOM 1634 CA GLN A 106 29.540 6.342 -8.671 1.00 0.01 C ATOM 1635 C GLN A 106 28.275 5.509 -8.868 1.00 0.01 C ATOM 1636 O GLN A 106 27.170 5.999 -8.747 1.00 0.01 O ATOM 1637 CB GLN A 106 29.908 6.386 -7.185 1.00 0.01 C ATOM 1638 CG GLN A 106 30.401 5.009 -6.735 1.00 0.01 C ATOM 1639 CD GLN A 106 31.042 5.127 -5.352 1.00 0.01 C ATOM 1640 OE1 GLN A 106 31.245 6.217 -4.855 1.00 0.01 O ATOM 1641 NE2 GLN A 106 31.376 4.045 -4.705 1.00 0.01 N ATOM 0 H GLN A 106 29.133 8.422 -8.427 1.00 0.01 H new ATOM 0 HA GLN A 106 30.365 5.897 -9.227 1.00 0.01 H new ATOM 0 HB2 GLN A 106 30.682 7.134 -7.014 1.00 0.01 H new ATOM 0 HB3 GLN A 106 29.042 6.684 -6.594 1.00 0.01 H new ATOM 0 HG2 GLN A 106 29.569 4.305 -6.704 1.00 0.01 H new ATOM 0 HG3 GLN A 106 31.124 4.617 -7.451 1.00 0.01 H new ATOM 0 HE21 GLN A 106 31.206 3.129 -5.121 1.00 0.01 H new ATOM 0 HE22 GLN A 106 31.807 4.115 -3.783 1.00 0.01 H new ATOM 1650 N MET A 107 28.443 4.251 -9.193 1.00 0.01 N ATOM 1651 CA MET A 107 27.268 3.351 -9.426 1.00 0.01 C ATOM 1652 C MET A 107 27.254 2.234 -8.384 1.00 0.01 C ATOM 1653 O MET A 107 28.279 1.696 -8.012 1.00 0.01 O ATOM 1654 CB MET A 107 27.376 2.728 -10.823 1.00 0.00 C ATOM 1655 CG MET A 107 26.192 1.782 -11.069 1.00 0.01 C ATOM 1656 SD MET A 107 26.554 0.158 -10.355 1.00 0.01 S ATOM 1657 CE MET A 107 27.370 -0.553 -11.805 1.00 0.01 C ATOM 0 H MET A 107 29.352 3.804 -9.308 1.00 0.01 H new ATOM 0 HA MET A 107 26.350 3.934 -9.346 1.00 0.01 H new ATOM 0 HB2 MET A 107 27.389 3.512 -11.580 1.00 0.00 H new ATOM 0 HB3 MET A 107 28.314 2.181 -10.915 1.00 0.00 H new ATOM 0 HG2 MET A 107 25.286 2.193 -10.623 1.00 0.01 H new ATOM 0 HG3 MET A 107 26.006 1.687 -12.139 1.00 0.01 H new ATOM 0 HE1 MET A 107 27.682 -1.574 -11.583 1.00 0.01 H new ATOM 0 HE2 MET A 107 26.676 -0.560 -12.646 1.00 0.01 H new ATOM 0 HE3 MET A 107 28.244 0.046 -12.061 1.00 0.01 H new ATOM 1667 N TYR A 108 26.082 1.867 -7.931 1.00 0.01 N ATOM 1668 CA TYR A 108 25.943 0.767 -6.928 1.00 0.00 C ATOM 1669 C TYR A 108 24.861 -0.203 -7.422 1.00 0.01 C ATOM 1670 O TYR A 108 23.826 0.200 -7.919 1.00 0.01 O ATOM 1671 CB TYR A 108 25.524 1.350 -5.575 1.00 0.54 C ATOM 1672 CG TYR A 108 26.379 2.557 -5.259 1.00 0.60 C ATOM 1673 CD1 TYR A 108 26.134 3.774 -5.903 1.00 0.93 C ATOM 1674 CD2 TYR A 108 27.414 2.458 -4.319 1.00 1.24 C ATOM 1675 CE1 TYR A 108 26.923 4.894 -5.609 1.00 1.51 C ATOM 1676 CE2 TYR A 108 28.202 3.577 -4.025 1.00 1.76 C ATOM 1677 CZ TYR A 108 27.956 4.794 -4.670 1.00 1.82 C ATOM 1678 OH TYR A 108 28.733 5.899 -4.381 1.00 2.48 O ATOM 0 H TYR A 108 25.200 2.291 -8.219 1.00 0.01 H new ATOM 0 HA TYR A 108 26.894 0.247 -6.811 1.00 0.00 H new ATOM 0 HB2 TYR A 108 24.472 1.633 -5.599 1.00 0.54 H new ATOM 0 HB3 TYR A 108 25.634 0.598 -4.793 1.00 0.54 H new ATOM 0 HD1 TYR A 108 25.336 3.851 -6.627 1.00 0.93 H new ATOM 0 HD2 TYR A 108 27.604 1.518 -3.822 1.00 1.24 H new ATOM 0 HE1 TYR A 108 26.734 5.834 -6.107 1.00 1.51 H new ATOM 0 HE2 TYR A 108 28.999 3.501 -3.301 1.00 1.76 H new ATOM 0 HH TYR A 108 29.045 5.846 -3.454 1.00 2.48 H new ATOM 1688 N GLU A 109 25.119 -1.481 -7.313 1.00 0.01 N ATOM 1689 CA GLU A 109 24.148 -2.517 -7.799 1.00 0.01 C ATOM 1690 C GLU A 109 23.633 -3.344 -6.620 1.00 0.01 C ATOM 1691 O GLU A 109 24.395 -3.782 -5.782 1.00 0.01 O ATOM 1692 CB GLU A 109 24.896 -3.424 -8.784 1.00 0.01 C ATOM 1693 CG GLU A 109 23.908 -4.362 -9.498 1.00 0.01 C ATOM 1694 CD GLU A 109 23.292 -3.652 -10.708 1.00 0.00 C ATOM 1695 OE1 GLU A 109 24.027 -3.367 -11.640 1.00 0.00 O ATOM 1696 OE2 GLU A 109 22.098 -3.408 -10.683 1.00 0.00 O ATOM 0 H GLU A 109 25.973 -1.859 -6.902 1.00 0.01 H new ATOM 0 HA GLU A 109 23.294 -2.044 -8.283 1.00 0.01 H new ATOM 0 HB2 GLU A 109 25.427 -2.817 -9.517 1.00 0.01 H new ATOM 0 HB3 GLU A 109 25.646 -4.010 -8.252 1.00 0.01 H new ATOM 0 HG2 GLU A 109 24.422 -5.268 -9.820 1.00 0.01 H new ATOM 0 HG3 GLU A 109 23.122 -4.670 -8.808 1.00 0.01 H new ATOM 1703 N THR A 110 22.338 -3.562 -6.539 1.00 0.01 N ATOM 1704 CA THR A 110 21.795 -4.364 -5.399 1.00 0.00 C ATOM 1705 C THR A 110 20.545 -5.149 -5.819 1.00 0.01 C ATOM 1706 O THR A 110 19.768 -4.733 -6.659 1.00 0.01 O ATOM 1707 CB THR A 110 21.433 -3.436 -4.237 1.00 1.21 C ATOM 1708 OG1 THR A 110 20.902 -4.207 -3.166 1.00 1.65 O ATOM 1709 CG2 THR A 110 20.392 -2.415 -4.700 1.00 1.69 C ATOM 0 H THR A 110 21.644 -3.223 -7.205 1.00 0.01 H new ATOM 0 HA THR A 110 22.565 -5.070 -5.089 1.00 0.00 H new ATOM 0 HB THR A 110 22.326 -2.910 -3.899 1.00 1.21 H new ATOM 0 HG1 THR A 110 20.671 -3.615 -2.420 1.00 1.65 H new ATOM 0 HG21 THR A 110 20.136 -1.755 -3.871 1.00 1.69 H new ATOM 0 HG22 THR A 110 20.801 -1.825 -5.520 1.00 1.69 H new ATOM 0 HG23 THR A 110 19.497 -2.936 -5.039 1.00 1.69 H new ATOM 1717 N THR A 111 20.374 -6.298 -5.217 1.00 0.00 N ATOM 1718 CA THR A 111 19.204 -7.183 -5.524 1.00 0.01 C ATOM 1719 C THR A 111 18.254 -7.244 -4.320 1.00 0.01 C ATOM 1720 O THR A 111 17.359 -8.065 -4.282 1.00 0.01 O ATOM 1721 CB THR A 111 19.712 -8.593 -5.833 1.00 0.01 C ATOM 1722 OG1 THR A 111 20.626 -8.998 -4.824 1.00 0.01 O ATOM 1723 CG2 THR A 111 20.416 -8.597 -7.191 1.00 0.01 C ATOM 0 H THR A 111 21.009 -6.670 -4.510 1.00 0.00 H new ATOM 0 HA THR A 111 18.666 -6.779 -6.382 1.00 0.01 H new ATOM 0 HB THR A 111 18.870 -9.284 -5.860 1.00 0.01 H new ATOM 0 HG1 THR A 111 20.163 -9.564 -4.171 1.00 0.01 H new ATOM 0 HG21 THR A 111 20.778 -9.602 -7.410 1.00 0.01 H new ATOM 0 HG22 THR A 111 19.715 -8.287 -7.965 1.00 0.01 H new ATOM 0 HG23 THR A 111 21.258 -7.906 -7.166 1.00 0.01 H new ATOM 1731 N GLU A 112 18.460 -6.412 -3.321 1.00 0.01 N ATOM 1732 CA GLU A 112 17.583 -6.455 -2.096 1.00 0.01 C ATOM 1733 C GLU A 112 16.885 -5.109 -1.849 1.00 0.01 C ATOM 1734 O GLU A 112 17.278 -4.081 -2.365 1.00 0.01 O ATOM 1735 CB GLU A 112 18.453 -6.789 -0.882 1.00 0.85 C ATOM 1736 CG GLU A 112 18.874 -8.258 -0.944 1.00 1.61 C ATOM 1737 CD GLU A 112 19.778 -8.477 -2.158 1.00 2.51 C ATOM 1738 OE1 GLU A 112 20.463 -7.539 -2.537 1.00 3.21 O ATOM 1739 OE2 GLU A 112 19.773 -9.578 -2.686 1.00 3.07 O ATOM 0 H GLU A 112 19.196 -5.706 -3.299 1.00 0.01 H new ATOM 0 HA GLU A 112 16.815 -7.213 -2.252 1.00 0.01 H new ATOM 0 HB2 GLU A 112 19.334 -6.148 -0.865 1.00 0.85 H new ATOM 0 HB3 GLU A 112 17.901 -6.596 0.038 1.00 0.85 H new ATOM 0 HG2 GLU A 112 19.400 -8.536 -0.031 1.00 1.61 H new ATOM 0 HG3 GLU A 112 17.994 -8.897 -1.012 1.00 1.61 H new ATOM 1746 N ASP A 113 15.861 -5.119 -1.031 1.00 0.01 N ATOM 1747 CA ASP A 113 15.132 -3.856 -0.698 1.00 0.01 C ATOM 1748 C ASP A 113 16.063 -2.967 0.129 1.00 0.00 C ATOM 1749 O ASP A 113 16.965 -3.448 0.783 1.00 0.01 O ATOM 1750 CB ASP A 113 13.892 -4.192 0.132 1.00 0.01 C ATOM 1751 CG ASP A 113 12.800 -4.748 -0.786 1.00 0.01 C ATOM 1752 OD1 ASP A 113 13.096 -4.993 -1.944 1.00 0.00 O ATOM 1753 OD2 ASP A 113 11.689 -4.920 -0.315 1.00 0.00 O ATOM 0 H ASP A 113 15.496 -5.956 -0.576 1.00 0.01 H new ATOM 0 HA ASP A 113 14.829 -3.343 -1.611 1.00 0.01 H new ATOM 0 HB2 ASP A 113 14.143 -4.923 0.901 1.00 0.01 H new ATOM 0 HB3 ASP A 113 13.532 -3.300 0.645 1.00 0.01 H new ATOM 1758 N CYS A 114 15.825 -1.672 0.132 1.00 0.01 N ATOM 1759 CA CYS A 114 16.670 -0.738 0.950 1.00 0.01 C ATOM 1760 C CYS A 114 15.755 0.099 1.875 1.00 0.01 C ATOM 1761 O CYS A 114 14.998 0.917 1.384 1.00 0.01 O ATOM 1762 CB CYS A 114 17.409 0.220 0.016 1.00 0.01 C ATOM 1763 SG CYS A 114 18.632 1.156 0.966 1.00 0.01 S ATOM 0 H CYS A 114 15.079 -1.222 -0.399 1.00 0.01 H new ATOM 0 HA CYS A 114 17.380 -1.316 1.541 1.00 0.01 H new ATOM 0 HB2 CYS A 114 17.900 -0.338 -0.781 1.00 0.01 H new ATOM 0 HB3 CYS A 114 16.702 0.900 -0.459 1.00 0.01 H new ATOM 0 HG CYS A 114 19.766 0.520 0.960 1.00 0.01 H new ATOM 1769 N PRO A 115 15.819 -0.051 3.192 1.00 0.01 N ATOM 1770 CA PRO A 115 14.959 0.782 4.082 1.00 0.01 C ATOM 1771 C PRO A 115 15.495 2.218 4.180 1.00 0.01 C ATOM 1772 O PRO A 115 14.741 3.159 4.355 1.00 0.01 O ATOM 1773 CB PRO A 115 15.066 0.043 5.428 1.00 0.01 C ATOM 1774 CG PRO A 115 16.296 -0.882 5.361 1.00 0.01 C ATOM 1775 CD PRO A 115 16.710 -1.031 3.883 1.00 0.01 C ATOM 0 HA PRO A 115 13.933 0.889 3.730 1.00 0.01 H new ATOM 0 HB2 PRO A 115 15.167 0.755 6.247 1.00 0.01 H new ATOM 0 HB3 PRO A 115 14.162 -0.536 5.619 1.00 0.01 H new ATOM 0 HG2 PRO A 115 17.117 -0.465 5.945 1.00 0.01 H new ATOM 0 HG3 PRO A 115 16.062 -1.856 5.790 1.00 0.01 H new ATOM 0 HD2 PRO A 115 17.764 -0.797 3.732 1.00 0.01 H new ATOM 0 HD3 PRO A 115 16.554 -2.047 3.519 1.00 0.01 H new ATOM 1783 N SER A 116 16.788 2.390 4.075 1.00 0.01 N ATOM 1784 CA SER A 116 17.382 3.759 4.161 1.00 0.02 C ATOM 1785 C SER A 116 18.545 3.861 3.170 1.00 0.01 C ATOM 1786 O SER A 116 19.588 3.258 3.341 1.00 0.00 O ATOM 1787 CB SER A 116 17.889 4.000 5.585 1.00 0.01 C ATOM 1788 OG SER A 116 18.630 2.865 6.021 1.00 0.01 O ATOM 0 H SER A 116 17.461 1.637 3.933 1.00 0.01 H new ATOM 0 HA SER A 116 16.630 4.509 3.916 1.00 0.02 H new ATOM 0 HB2 SER A 116 18.517 4.891 5.614 1.00 0.01 H new ATOM 0 HB3 SER A 116 17.049 4.180 6.256 1.00 0.01 H new ATOM 0 HG SER A 116 19.115 2.479 5.262 1.00 0.01 H new ATOM 1794 N ILE A 117 18.343 4.604 2.113 1.00 0.01 N ATOM 1795 CA ILE A 117 19.391 4.750 1.062 1.00 0.01 C ATOM 1796 C ILE A 117 20.639 5.422 1.632 1.00 0.01 C ATOM 1797 O ILE A 117 21.745 5.086 1.262 1.00 0.00 O ATOM 1798 CB ILE A 117 18.838 5.607 -0.077 1.00 0.57 C ATOM 1799 CG1 ILE A 117 17.586 4.939 -0.655 1.00 1.44 C ATOM 1800 CG2 ILE A 117 19.892 5.748 -1.175 1.00 0.93 C ATOM 1801 CD1 ILE A 117 16.839 5.935 -1.542 1.00 1.83 C ATOM 0 H ILE A 117 17.484 5.123 1.932 1.00 0.01 H new ATOM 0 HA ILE A 117 19.663 3.760 0.697 1.00 0.01 H new ATOM 0 HB ILE A 117 18.582 6.595 0.306 1.00 0.57 H new ATOM 0 HG12 ILE A 117 17.865 4.059 -1.234 1.00 1.44 H new ATOM 0 HG13 ILE A 117 16.938 4.597 0.152 1.00 1.44 H new ATOM 0 HG21 ILE A 117 19.494 6.359 -1.985 1.00 0.93 H new ATOM 0 HG22 ILE A 117 20.783 6.224 -0.765 1.00 0.93 H new ATOM 0 HG23 ILE A 117 20.152 4.761 -1.559 1.00 0.93 H new ATOM 0 HD11 ILE A 117 15.948 5.459 -1.953 1.00 1.83 H new ATOM 0 HD12 ILE A 117 16.547 6.802 -0.949 1.00 1.83 H new ATOM 0 HD13 ILE A 117 17.488 6.255 -2.357 1.00 1.83 H new ATOM 1813 N MET A 118 20.479 6.388 2.494 1.00 0.02 N ATOM 1814 CA MET A 118 21.680 7.082 3.036 1.00 0.01 C ATOM 1815 C MET A 118 22.479 6.135 3.929 1.00 0.01 C ATOM 1816 O MET A 118 23.692 6.169 3.947 1.00 0.02 O ATOM 1817 CB MET A 118 21.262 8.320 3.835 1.00 0.24 C ATOM 1818 CG MET A 118 22.510 9.096 4.263 1.00 0.63 C ATOM 1819 SD MET A 118 22.015 10.648 5.050 1.00 1.20 S ATOM 1820 CE MET A 118 23.623 11.470 4.969 1.00 1.34 C ATOM 0 H MET A 118 19.581 6.723 2.843 1.00 0.02 H new ATOM 0 HA MET A 118 22.306 7.395 2.200 1.00 0.01 H new ATOM 0 HB2 MET A 118 20.615 8.955 3.230 1.00 0.24 H new ATOM 0 HB3 MET A 118 20.687 8.023 4.712 1.00 0.24 H new ATOM 0 HG2 MET A 118 23.103 8.498 4.955 1.00 0.63 H new ATOM 0 HG3 MET A 118 23.139 9.300 3.397 1.00 0.63 H new ATOM 0 HE1 MET A 118 23.546 12.464 5.409 1.00 1.34 H new ATOM 0 HE2 MET A 118 24.359 10.885 5.521 1.00 1.34 H new ATOM 0 HE3 MET A 118 23.935 11.557 3.928 1.00 1.34 H new ATOM 1830 N GLU A 119 21.832 5.289 4.672 1.00 0.01 N ATOM 1831 CA GLU A 119 22.593 4.364 5.554 1.00 0.02 C ATOM 1832 C GLU A 119 23.321 3.313 4.708 1.00 0.02 C ATOM 1833 O GLU A 119 24.416 2.899 5.029 1.00 0.01 O ATOM 1834 CB GLU A 119 21.620 3.667 6.514 1.00 0.30 C ATOM 1835 CG GLU A 119 22.389 3.059 7.693 1.00 0.99 C ATOM 1836 CD GLU A 119 23.247 1.892 7.202 1.00 1.69 C ATOM 1837 OE1 GLU A 119 22.680 0.937 6.695 1.00 2.07 O ATOM 1838 OE2 GLU A 119 24.456 1.973 7.342 1.00 2.11 O ATOM 0 H GLU A 119 20.817 5.196 4.709 1.00 0.01 H new ATOM 0 HA GLU A 119 23.329 4.932 6.123 1.00 0.02 H new ATOM 0 HB2 GLU A 119 20.883 4.382 6.880 1.00 0.30 H new ATOM 0 HB3 GLU A 119 21.072 2.887 5.986 1.00 0.30 H new ATOM 0 HG2 GLU A 119 23.020 3.817 8.158 1.00 0.99 H new ATOM 0 HG3 GLU A 119 21.691 2.714 8.456 1.00 0.99 H new ATOM 1845 N GLN A 120 22.693 2.836 3.665 1.00 0.00 N ATOM 1846 CA GLN A 120 23.324 1.761 2.841 1.00 0.01 C ATOM 1847 C GLN A 120 24.375 2.309 1.868 1.00 0.01 C ATOM 1848 O GLN A 120 25.443 1.746 1.729 1.00 0.01 O ATOM 1849 CB GLN A 120 22.235 1.045 2.040 1.00 0.52 C ATOM 1850 CG GLN A 120 22.872 -0.038 1.166 1.00 1.07 C ATOM 1851 CD GLN A 120 21.788 -0.994 0.661 1.00 1.08 C ATOM 1852 OE1 GLN A 120 20.644 -0.613 0.517 1.00 0.98 O ATOM 1853 NE2 GLN A 120 22.105 -2.230 0.385 1.00 2.08 N ATOM 0 H GLN A 120 21.773 3.143 3.348 1.00 0.00 H new ATOM 0 HA GLN A 120 23.829 1.077 3.523 1.00 0.01 H new ATOM 0 HB2 GLN A 120 21.505 0.599 2.716 1.00 0.52 H new ATOM 0 HB3 GLN A 120 21.697 1.760 1.417 1.00 0.52 H new ATOM 0 HG2 GLN A 120 23.390 0.419 0.323 1.00 1.07 H new ATOM 0 HG3 GLN A 120 23.619 -0.589 1.738 1.00 1.07 H new ATOM 0 HE21 GLN A 120 23.066 -2.549 0.506 1.00 2.08 H new ATOM 0 HE22 GLN A 120 21.392 -2.876 0.048 1.00 2.08 H new ATOM 1862 N PHE A 121 24.056 3.356 1.145 1.00 0.02 N ATOM 1863 CA PHE A 121 25.014 3.888 0.115 1.00 0.01 C ATOM 1864 C PHE A 121 25.606 5.242 0.504 1.00 0.01 C ATOM 1865 O PHE A 121 26.385 5.812 -0.235 1.00 0.01 O ATOM 1866 CB PHE A 121 24.276 4.033 -1.215 1.00 0.01 C ATOM 1867 CG PHE A 121 23.524 2.759 -1.518 1.00 0.01 C ATOM 1868 CD1 PHE A 121 22.229 2.572 -1.022 1.00 0.01 C ATOM 1869 CD2 PHE A 121 24.123 1.765 -2.303 1.00 0.01 C ATOM 1870 CE1 PHE A 121 21.534 1.392 -1.308 1.00 0.01 C ATOM 1871 CE2 PHE A 121 23.428 0.584 -2.588 1.00 0.01 C ATOM 1872 CZ PHE A 121 22.133 0.398 -2.091 1.00 0.01 C ATOM 0 H PHE A 121 23.176 3.867 1.221 1.00 0.02 H new ATOM 0 HA PHE A 121 25.840 3.181 0.037 1.00 0.01 H new ATOM 0 HB2 PHE A 121 23.584 4.874 -1.169 1.00 0.01 H new ATOM 0 HB3 PHE A 121 24.985 4.248 -2.015 1.00 0.01 H new ATOM 0 HD1 PHE A 121 21.766 3.339 -0.418 1.00 0.01 H new ATOM 0 HD2 PHE A 121 25.121 1.910 -2.688 1.00 0.01 H new ATOM 0 HE1 PHE A 121 20.535 1.248 -0.924 1.00 0.01 H new ATOM 0 HE2 PHE A 121 23.891 -0.183 -3.191 1.00 0.01 H new ATOM 0 HZ PHE A 121 21.596 -0.513 -2.312 1.00 0.01 H new ATOM 1882 N HIS A 122 25.251 5.776 1.637 1.00 0.01 N ATOM 1883 CA HIS A 122 25.807 7.099 2.028 1.00 0.01 C ATOM 1884 C HIS A 122 25.430 8.133 0.966 1.00 0.01 C ATOM 1885 O HIS A 122 26.166 9.063 0.699 1.00 0.02 O ATOM 1886 CB HIS A 122 27.331 6.992 2.154 1.00 0.01 C ATOM 1887 CG HIS A 122 27.688 5.672 2.781 1.00 0.01 C ATOM 1888 ND1 HIS A 122 27.099 5.230 3.956 1.00 0.01 N ATOM 1889 CD2 HIS A 122 28.570 4.687 2.409 1.00 0.01 C ATOM 1890 CE1 HIS A 122 27.629 4.028 4.246 1.00 0.00 C ATOM 1891 NE2 HIS A 122 28.531 3.650 3.336 1.00 0.01 N ATOM 0 H HIS A 122 24.604 5.357 2.305 1.00 0.01 H new ATOM 0 HA HIS A 122 25.397 7.410 2.989 1.00 0.01 H new ATOM 0 HB2 HIS A 122 27.795 7.078 1.172 1.00 0.01 H new ATOM 0 HB3 HIS A 122 27.715 7.812 2.761 1.00 0.01 H new ATOM 0 HD2 HIS A 122 29.198 4.713 1.531 1.00 0.01 H new ATOM 0 HE1 HIS A 122 27.358 3.440 5.110 1.00 0.00 H new ATOM 0 HE2 HIS A 122 29.074 2.787 3.323 1.00 0.01 H new ATOM 1899 N LEU A 123 24.274 7.973 0.361 1.00 0.01 N ATOM 1900 CA LEU A 123 23.815 8.938 -0.695 1.00 0.01 C ATOM 1901 C LEU A 123 22.609 9.711 -0.155 1.00 0.02 C ATOM 1902 O LEU A 123 21.707 9.145 0.430 1.00 0.01 O ATOM 1903 CB LEU A 123 23.397 8.155 -1.962 1.00 0.01 C ATOM 1904 CG LEU A 123 24.598 7.978 -2.915 1.00 0.01 C ATOM 1905 CD1 LEU A 123 24.353 6.789 -3.852 1.00 0.01 C ATOM 1906 CD2 LEU A 123 24.777 9.236 -3.775 1.00 0.01 C ATOM 0 H LEU A 123 23.624 7.211 0.554 1.00 0.01 H new ATOM 0 HA LEU A 123 24.621 9.627 -0.948 1.00 0.01 H new ATOM 0 HB2 LEU A 123 23.004 7.178 -1.679 1.00 0.01 H new ATOM 0 HB3 LEU A 123 22.594 8.685 -2.475 1.00 0.01 H new ATOM 0 HG LEU A 123 25.490 7.805 -2.313 1.00 0.01 H new ATOM 0 HD11 LEU A 123 25.205 6.671 -4.521 1.00 0.01 H new ATOM 0 HD12 LEU A 123 24.227 5.881 -3.262 1.00 0.01 H new ATOM 0 HD13 LEU A 123 23.453 6.968 -4.440 1.00 0.01 H new ATOM 0 HD21 LEU A 123 25.627 9.101 -4.444 1.00 0.01 H new ATOM 0 HD22 LEU A 123 23.875 9.406 -4.363 1.00 0.01 H new ATOM 0 HD23 LEU A 123 24.956 10.096 -3.129 1.00 0.01 H new ATOM 1918 N ARG A 124 22.586 11.003 -0.347 1.00 0.01 N ATOM 1919 CA ARG A 124 21.442 11.816 0.153 1.00 0.00 C ATOM 1920 C ARG A 124 20.366 11.930 -0.931 1.00 0.01 C ATOM 1921 O ARG A 124 19.216 12.198 -0.648 1.00 0.01 O ATOM 1922 CB ARG A 124 21.935 13.215 0.524 1.00 1.67 C ATOM 1923 CG ARG A 124 22.793 13.775 -0.613 1.00 1.98 C ATOM 1924 CD ARG A 124 23.035 15.268 -0.382 1.00 2.92 C ATOM 1925 NE ARG A 124 23.765 15.456 0.902 1.00 3.54 N ATOM 1926 CZ ARG A 124 24.330 16.601 1.171 1.00 4.57 C ATOM 1927 NH1 ARG A 124 24.254 17.581 0.314 1.00 5.25 N ATOM 1928 NH2 ARG A 124 24.972 16.765 2.295 1.00 5.32 N ATOM 0 H ARG A 124 23.313 11.531 -0.830 1.00 0.01 H new ATOM 0 HA ARG A 124 21.017 11.330 1.031 1.00 0.00 H new ATOM 0 HB2 ARG A 124 21.086 13.873 0.711 1.00 1.67 H new ATOM 0 HB3 ARG A 124 22.516 13.174 1.445 1.00 1.67 H new ATOM 0 HG2 ARG A 124 23.744 13.245 -0.660 1.00 1.98 H new ATOM 0 HG3 ARG A 124 22.294 13.620 -1.570 1.00 1.98 H new ATOM 0 HD2 ARG A 124 23.613 15.686 -1.206 1.00 2.92 H new ATOM 0 HD3 ARG A 124 22.085 15.802 -0.355 1.00 2.92 H new ATOM 0 HE ARG A 124 23.823 14.689 1.572 1.00 3.54 H new ATOM 0 HH11 ARG A 124 23.753 17.452 -0.565 1.00 5.25 H new ATOM 0 HH12 ARG A 124 24.695 18.477 0.523 1.00 5.25 H new ATOM 0 HH21 ARG A 124 25.033 15.998 2.964 1.00 5.32 H new ATOM 0 HH22 ARG A 124 25.413 17.660 2.504 1.00 5.32 H new ATOM 1942 N GLU A 125 20.737 11.745 -2.174 1.00 0.01 N ATOM 1943 CA GLU A 125 19.746 11.864 -3.286 1.00 0.01 C ATOM 1944 C GLU A 125 20.141 10.937 -4.442 1.00 0.01 C ATOM 1945 O GLU A 125 21.267 10.491 -4.538 1.00 0.01 O ATOM 1946 CB GLU A 125 19.735 13.304 -3.801 1.00 0.01 C ATOM 1947 CG GLU A 125 19.236 14.237 -2.695 1.00 0.01 C ATOM 1948 CD GLU A 125 18.898 15.603 -3.292 1.00 0.02 C ATOM 1949 OE1 GLU A 125 19.401 15.899 -4.363 1.00 0.02 O ATOM 1950 OE2 GLU A 125 18.139 16.330 -2.670 1.00 0.01 O ATOM 0 H GLU A 125 21.687 11.516 -2.466 1.00 0.01 H new ATOM 0 HA GLU A 125 18.760 11.586 -2.912 1.00 0.01 H new ATOM 0 HB2 GLU A 125 20.737 13.597 -4.114 1.00 0.01 H new ATOM 0 HB3 GLU A 125 19.091 13.384 -4.677 1.00 0.01 H new ATOM 0 HG2 GLU A 125 18.355 13.810 -2.215 1.00 0.01 H new ATOM 0 HG3 GLU A 125 19.999 14.344 -1.924 1.00 0.01 H new ATOM 1957 N ILE A 126 19.222 10.680 -5.341 1.00 0.01 N ATOM 1958 CA ILE A 126 19.521 9.818 -6.532 1.00 0.01 C ATOM 1959 C ILE A 126 19.012 10.556 -7.773 1.00 0.01 C ATOM 1960 O ILE A 126 17.886 11.014 -7.798 1.00 0.01 O ATOM 1961 CB ILE A 126 18.798 8.470 -6.397 1.00 1.33 C ATOM 1962 CG1 ILE A 126 19.519 7.630 -5.338 1.00 1.49 C ATOM 1963 CG2 ILE A 126 18.817 7.729 -7.744 1.00 2.17 C ATOM 1964 CD1 ILE A 126 18.729 6.349 -5.065 1.00 1.70 C ATOM 0 H ILE A 126 18.266 11.034 -5.301 1.00 0.01 H new ATOM 0 HA ILE A 126 20.591 9.627 -6.608 1.00 0.01 H new ATOM 0 HB ILE A 126 17.762 8.636 -6.101 1.00 1.33 H new ATOM 0 HG12 ILE A 126 20.524 7.382 -5.680 1.00 1.49 H new ATOM 0 HG13 ILE A 126 19.628 8.204 -4.418 1.00 1.49 H new ATOM 0 HG21 ILE A 126 18.302 6.774 -7.641 1.00 2.17 H new ATOM 0 HG22 ILE A 126 18.313 8.333 -8.499 1.00 2.17 H new ATOM 0 HG23 ILE A 126 19.849 7.554 -8.049 1.00 2.17 H new ATOM 0 HD11 ILE A 126 19.247 5.756 -4.311 1.00 1.70 H new ATOM 0 HD12 ILE A 126 17.733 6.606 -4.704 1.00 1.70 H new ATOM 0 HD13 ILE A 126 18.643 5.771 -5.985 1.00 1.70 H new ATOM 1976 N HIS A 127 19.840 10.716 -8.783 1.00 0.01 N ATOM 1977 CA HIS A 127 19.402 11.478 -10.001 1.00 0.01 C ATOM 1978 C HIS A 127 19.168 10.564 -11.207 1.00 0.01 C ATOM 1979 O HIS A 127 18.579 10.966 -12.190 1.00 0.01 O ATOM 1980 CB HIS A 127 20.457 12.528 -10.359 1.00 0.02 C ATOM 1981 CG HIS A 127 20.589 13.510 -9.226 1.00 0.01 C ATOM 1982 ND1 HIS A 127 19.930 14.730 -9.226 1.00 0.01 N ATOM 1983 CD2 HIS A 127 21.302 13.469 -8.053 1.00 0.01 C ATOM 1984 CE1 HIS A 127 20.257 15.367 -8.086 1.00 0.01 C ATOM 1985 NE2 HIS A 127 21.090 14.642 -7.335 1.00 0.02 N ATOM 0 H HIS A 127 20.793 10.355 -8.817 1.00 0.01 H new ATOM 0 HA HIS A 127 18.453 11.957 -9.760 1.00 0.01 H new ATOM 0 HB2 HIS A 127 21.416 12.046 -10.551 1.00 0.02 H new ATOM 0 HB3 HIS A 127 20.173 13.048 -11.274 1.00 0.02 H new ATOM 0 HD2 HIS A 127 21.932 12.651 -7.736 1.00 0.01 H new ATOM 0 HE1 HIS A 127 19.890 16.345 -7.812 1.00 0.01 H new ATOM 0 HE2 HIS A 127 21.486 14.894 -6.429 1.00 0.02 H new ATOM 1993 N SER A 128 19.590 9.329 -11.136 1.00 0.01 N ATOM 1994 CA SER A 128 19.350 8.392 -12.272 1.00 0.01 C ATOM 1995 C SER A 128 19.452 6.951 -11.760 1.00 0.01 C ATOM 1996 O SER A 128 20.136 6.674 -10.793 1.00 0.01 O ATOM 1997 CB SER A 128 20.399 8.629 -13.364 1.00 0.01 C ATOM 1998 OG SER A 128 20.032 9.773 -14.125 1.00 0.01 O ATOM 0 H SER A 128 20.090 8.929 -10.342 1.00 0.01 H new ATOM 0 HA SER A 128 18.358 8.563 -12.689 1.00 0.01 H new ATOM 0 HB2 SER A 128 21.381 8.776 -12.915 1.00 0.01 H new ATOM 0 HB3 SER A 128 20.471 7.755 -14.011 1.00 0.01 H new ATOM 0 HG SER A 128 19.372 10.299 -13.627 1.00 0.01 H new ATOM 2004 N CYS A 129 18.766 6.035 -12.389 1.00 0.01 N ATOM 2005 CA CYS A 129 18.809 4.617 -11.935 1.00 0.01 C ATOM 2006 C CYS A 129 18.152 3.738 -13.001 1.00 0.00 C ATOM 2007 O CYS A 129 17.231 4.161 -13.665 1.00 0.01 O ATOM 2008 CB CYS A 129 18.052 4.476 -10.614 1.00 0.69 C ATOM 2009 SG CYS A 129 17.806 2.722 -10.243 1.00 1.22 S ATOM 0 H CYS A 129 18.175 6.210 -13.202 1.00 0.01 H new ATOM 0 HA CYS A 129 19.843 4.308 -11.786 1.00 0.01 H new ATOM 0 HB2 CYS A 129 18.611 4.954 -9.810 1.00 0.69 H new ATOM 0 HB3 CYS A 129 17.089 4.983 -10.678 1.00 0.69 H new ATOM 0 HG CYS A 129 18.855 2.049 -10.612 1.00 1.22 H new ATOM 2015 N LYS A 130 18.618 2.520 -13.176 1.00 0.01 N ATOM 2016 CA LYS A 130 18.014 1.617 -14.213 1.00 0.01 C ATOM 2017 C LYS A 130 17.477 0.349 -13.538 1.00 0.01 C ATOM 2018 O LYS A 130 18.210 -0.475 -13.017 1.00 0.01 O ATOM 2019 CB LYS A 130 19.081 1.247 -15.259 1.00 0.55 C ATOM 2020 CG LYS A 130 18.413 0.909 -16.598 1.00 0.80 C ATOM 2021 CD LYS A 130 19.486 0.518 -17.615 1.00 0.29 C ATOM 2022 CE LYS A 130 18.820 -0.054 -18.868 1.00 0.33 C ATOM 2023 NZ LYS A 130 17.582 0.719 -19.171 1.00 1.41 N ATOM 0 H LYS A 130 19.389 2.113 -12.646 1.00 0.01 H new ATOM 0 HA LYS A 130 17.192 2.131 -14.711 1.00 0.01 H new ATOM 0 HB2 LYS A 130 19.776 2.076 -15.390 1.00 0.55 H new ATOM 0 HB3 LYS A 130 19.664 0.395 -14.909 1.00 0.55 H new ATOM 0 HG2 LYS A 130 17.704 0.091 -16.468 1.00 0.80 H new ATOM 0 HG3 LYS A 130 17.847 1.766 -16.961 1.00 0.80 H new ATOM 0 HD2 LYS A 130 20.089 1.388 -17.876 1.00 0.29 H new ATOM 0 HD3 LYS A 130 20.162 -0.219 -17.181 1.00 0.29 H new ATOM 0 HE2 LYS A 130 19.508 -0.005 -19.712 1.00 0.33 H new ATOM 0 HE3 LYS A 130 18.577 -1.105 -18.715 1.00 0.33 H new ATOM 0 HZ1 LYS A 130 17.308 0.561 -20.162 1.00 1.41 H new ATOM 0 HZ2 LYS A 130 16.814 0.404 -18.545 1.00 1.41 H new ATOM 0 HZ3 LYS A 130 17.759 1.732 -19.018 1.00 1.41 H new ATOM 2037 N VAL A 131 16.182 0.216 -13.551 1.00 0.01 N ATOM 2038 CA VAL A 131 15.490 -0.958 -12.945 1.00 0.01 C ATOM 2039 C VAL A 131 14.839 -1.753 -14.077 1.00 0.01 C ATOM 2040 O VAL A 131 14.097 -1.195 -14.862 1.00 0.01 O ATOM 2041 CB VAL A 131 14.405 -0.454 -11.978 1.00 0.01 C ATOM 2042 CG1 VAL A 131 14.059 -1.544 -10.961 1.00 0.01 C ATOM 2043 CG2 VAL A 131 14.917 0.790 -11.244 1.00 0.01 C ATOM 0 H VAL A 131 15.551 0.897 -13.972 1.00 0.01 H new ATOM 0 HA VAL A 131 16.194 -1.586 -12.398 1.00 0.01 H new ATOM 0 HB VAL A 131 13.509 -0.203 -12.545 1.00 0.01 H new ATOM 0 HG11 VAL A 131 13.290 -1.177 -10.281 1.00 0.01 H new ATOM 0 HG12 VAL A 131 13.690 -2.426 -11.484 1.00 0.01 H new ATOM 0 HG13 VAL A 131 14.951 -1.807 -10.392 1.00 0.01 H new ATOM 0 HG21 VAL A 131 14.150 1.149 -10.558 1.00 0.01 H new ATOM 0 HG22 VAL A 131 15.816 0.537 -10.682 1.00 0.01 H new ATOM 0 HG23 VAL A 131 15.150 1.570 -11.969 1.00 0.01 H new ATOM 2053 N VAL A 132 15.047 -3.050 -14.156 1.00 0.01 N ATOM 2054 CA VAL A 132 14.376 -3.855 -15.207 1.00 0.01 C ATOM 2055 C VAL A 132 13.729 -5.043 -14.510 1.00 0.00 C ATOM 2056 O VAL A 132 14.313 -6.094 -14.325 1.00 0.01 O ATOM 2057 CB VAL A 132 15.414 -4.352 -16.216 1.00 1.22 C ATOM 2058 CG1 VAL A 132 14.718 -5.176 -17.301 1.00 1.00 C ATOM 2059 CG2 VAL A 132 16.114 -3.151 -16.857 1.00 1.98 C ATOM 0 H VAL A 132 15.656 -3.578 -13.531 1.00 0.01 H new ATOM 0 HA VAL A 132 13.633 -3.262 -15.741 1.00 0.01 H new ATOM 0 HB VAL A 132 16.150 -4.973 -15.706 1.00 1.22 H new ATOM 0 HG11 VAL A 132 15.457 -5.530 -18.020 1.00 1.00 H new ATOM 0 HG12 VAL A 132 14.218 -6.030 -16.845 1.00 1.00 H new ATOM 0 HG13 VAL A 132 13.982 -4.556 -17.813 1.00 1.00 H new ATOM 0 HG21 VAL A 132 16.854 -3.502 -17.576 1.00 1.98 H new ATOM 0 HG22 VAL A 132 15.378 -2.531 -17.368 1.00 1.98 H new ATOM 0 HG23 VAL A 132 16.610 -2.564 -16.084 1.00 1.98 H new ATOM 2069 N GLU A 133 12.505 -4.862 -14.169 1.00 0.01 N ATOM 2070 CA GLU A 133 11.689 -5.923 -13.516 1.00 0.01 C ATOM 2071 C GLU A 133 10.260 -5.709 -14.005 1.00 0.01 C ATOM 2072 O GLU A 133 9.751 -6.446 -14.828 1.00 0.01 O ATOM 2073 CB GLU A 133 11.760 -5.776 -11.992 1.00 0.00 C ATOM 2074 CG GLU A 133 11.216 -7.042 -11.324 1.00 0.00 C ATOM 2075 CD GLU A 133 9.712 -7.155 -11.583 1.00 0.00 C ATOM 2076 OE1 GLU A 133 9.038 -6.140 -11.499 1.00 0.00 O ATOM 2077 OE2 GLU A 133 9.259 -8.254 -11.863 1.00 0.00 O ATOM 0 H GLU A 133 12.003 -3.986 -14.318 1.00 0.01 H new ATOM 0 HA GLU A 133 12.050 -6.921 -13.764 1.00 0.01 H new ATOM 0 HB2 GLU A 133 12.791 -5.604 -11.681 1.00 0.00 H new ATOM 0 HB3 GLU A 133 11.182 -4.908 -11.674 1.00 0.00 H new ATOM 0 HG2 GLU A 133 11.729 -7.921 -11.715 1.00 0.00 H new ATOM 0 HG3 GLU A 133 11.409 -7.011 -10.252 1.00 0.00 H new ATOM 2084 N GLY A 134 9.605 -4.706 -13.493 1.00 0.01 N ATOM 2085 CA GLY A 134 8.208 -4.433 -13.905 1.00 0.01 C ATOM 2086 C GLY A 134 7.619 -3.378 -12.968 1.00 0.01 C ATOM 2087 O GLY A 134 7.379 -2.256 -13.364 1.00 0.01 O ATOM 0 H GLY A 134 9.984 -4.060 -12.801 1.00 0.01 H new ATOM 0 HA2 GLY A 134 8.180 -4.081 -14.936 1.00 0.01 H new ATOM 0 HA3 GLY A 134 7.616 -5.347 -13.864 1.00 0.01 H new ATOM 2091 N THR A 135 7.385 -3.735 -11.725 1.00 0.01 N ATOM 2092 CA THR A 135 6.809 -2.759 -10.741 1.00 0.01 C ATOM 2093 C THR A 135 7.754 -2.579 -9.543 1.00 0.01 C ATOM 2094 O THR A 135 8.025 -3.503 -8.803 1.00 0.01 O ATOM 2095 CB THR A 135 5.463 -3.286 -10.250 1.00 1.43 C ATOM 2096 OG1 THR A 135 5.679 -4.359 -9.346 1.00 1.92 O ATOM 2097 CG2 THR A 135 4.641 -3.777 -11.442 1.00 2.30 C ATOM 0 H THR A 135 7.569 -4.665 -11.348 1.00 0.01 H new ATOM 0 HA THR A 135 6.680 -1.794 -11.231 1.00 0.01 H new ATOM 0 HB THR A 135 4.921 -2.487 -9.743 1.00 1.43 H new ATOM 0 HG1 THR A 135 6.641 -4.477 -9.202 1.00 1.92 H new ATOM 0 HG21 THR A 135 3.680 -4.153 -11.091 1.00 2.30 H new ATOM 0 HG22 THR A 135 4.476 -2.952 -12.135 1.00 2.30 H new ATOM 0 HG23 THR A 135 5.180 -4.576 -11.951 1.00 2.30 H new ATOM 2105 N TRP A 136 8.234 -1.377 -9.341 1.00 0.01 N ATOM 2106 CA TRP A 136 9.144 -1.075 -8.184 1.00 0.01 C ATOM 2107 C TRP A 136 8.554 0.131 -7.452 1.00 0.01 C ATOM 2108 O TRP A 136 7.942 0.975 -8.075 1.00 0.00 O ATOM 2109 CB TRP A 136 10.554 -0.750 -8.702 1.00 0.01 C ATOM 2110 CG TRP A 136 11.341 -2.015 -8.850 1.00 0.01 C ATOM 2111 CD1 TRP A 136 11.052 -3.015 -9.713 1.00 0.01 C ATOM 2112 CD2 TRP A 136 12.535 -2.428 -8.128 1.00 0.01 C ATOM 2113 NE1 TRP A 136 11.992 -4.017 -9.565 1.00 0.00 N ATOM 2114 CE2 TRP A 136 12.929 -3.701 -8.600 1.00 0.01 C ATOM 2115 CE3 TRP A 136 13.306 -1.825 -7.120 1.00 0.01 C ATOM 2116 CZ2 TRP A 136 14.050 -4.355 -8.087 1.00 0.01 C ATOM 2117 CZ3 TRP A 136 14.434 -2.479 -6.603 1.00 0.01 C ATOM 2118 CH2 TRP A 136 14.805 -3.742 -7.085 1.00 0.01 C ATOM 0 H TRP A 136 8.032 -0.575 -9.938 1.00 0.01 H new ATOM 0 HA TRP A 136 9.223 -1.930 -7.512 1.00 0.01 H new ATOM 0 HB2 TRP A 136 10.490 -0.236 -9.661 1.00 0.01 H new ATOM 0 HB3 TRP A 136 11.059 -0.075 -8.011 1.00 0.01 H new ATOM 0 HD1 TRP A 136 10.223 -3.028 -10.405 1.00 0.01 H new ATOM 0 HE1 TRP A 136 11.994 -4.884 -10.102 1.00 0.00 H new ATOM 0 HE3 TRP A 136 13.029 -0.852 -6.741 1.00 0.01 H new ATOM 0 HZ2 TRP A 136 14.331 -5.328 -8.462 1.00 0.01 H new ATOM 0 HZ3 TRP A 136 15.020 -2.007 -5.829 1.00 0.01 H new ATOM 0 HH2 TRP A 136 15.674 -4.241 -6.682 1.00 0.01 H new ATOM 2129 N ILE A 137 8.716 0.251 -6.146 1.00 0.01 N ATOM 2130 CA ILE A 137 8.141 1.438 -5.426 1.00 0.00 C ATOM 2131 C ILE A 137 9.240 2.191 -4.671 1.00 0.01 C ATOM 2132 O ILE A 137 10.092 1.609 -4.028 1.00 0.01 O ATOM 2133 CB ILE A 137 7.092 0.969 -4.416 1.00 0.60 C ATOM 2134 CG1 ILE A 137 5.965 0.242 -5.154 1.00 1.32 C ATOM 2135 CG2 ILE A 137 6.515 2.187 -3.686 1.00 1.37 C ATOM 2136 CD1 ILE A 137 5.017 -0.422 -4.147 1.00 1.69 C ATOM 0 H ILE A 137 9.216 -0.415 -5.557 1.00 0.01 H new ATOM 0 HA ILE A 137 7.687 2.100 -6.164 1.00 0.00 H new ATOM 0 HB ILE A 137 7.553 0.292 -3.697 1.00 0.60 H new ATOM 0 HG12 ILE A 137 5.412 0.947 -5.775 1.00 1.32 H new ATOM 0 HG13 ILE A 137 6.384 -0.511 -5.822 1.00 1.32 H new ATOM 0 HG21 ILE A 137 5.767 1.858 -2.965 1.00 1.37 H new ATOM 0 HG22 ILE A 137 7.316 2.712 -3.165 1.00 1.37 H new ATOM 0 HG23 ILE A 137 6.052 2.859 -4.409 1.00 1.37 H new ATOM 0 HD11 ILE A 137 4.219 -0.936 -4.683 1.00 1.69 H new ATOM 0 HD12 ILE A 137 5.572 -1.141 -3.545 1.00 1.69 H new ATOM 0 HD13 ILE A 137 4.586 0.339 -3.497 1.00 1.69 H new ATOM 2148 N PHE A 138 9.189 3.494 -4.735 1.00 0.01 N ATOM 2149 CA PHE A 138 10.179 4.357 -4.019 1.00 0.01 C ATOM 2150 C PHE A 138 9.417 5.147 -2.954 1.00 0.01 C ATOM 2151 O PHE A 138 8.294 5.544 -3.177 1.00 0.00 O ATOM 2152 CB PHE A 138 10.835 5.309 -5.018 1.00 1.11 C ATOM 2153 CG PHE A 138 11.770 4.519 -5.903 1.00 1.11 C ATOM 2154 CD1 PHE A 138 13.107 4.346 -5.530 1.00 1.46 C ATOM 2155 CD2 PHE A 138 11.295 3.952 -7.091 1.00 1.54 C ATOM 2156 CE1 PHE A 138 13.972 3.607 -6.346 1.00 2.01 C ATOM 2157 CE2 PHE A 138 12.161 3.213 -7.908 1.00 2.35 C ATOM 2158 CZ PHE A 138 13.499 3.041 -7.535 1.00 2.49 C ATOM 0 H PHE A 138 8.487 4.010 -5.265 1.00 0.01 H new ATOM 0 HA PHE A 138 10.960 3.756 -3.553 1.00 0.01 H new ATOM 0 HB2 PHE A 138 10.075 5.806 -5.621 1.00 1.11 H new ATOM 0 HB3 PHE A 138 11.384 6.089 -4.491 1.00 1.11 H new ATOM 0 HD1 PHE A 138 13.472 4.783 -4.612 1.00 1.46 H new ATOM 0 HD2 PHE A 138 10.262 4.084 -7.378 1.00 1.54 H new ATOM 0 HE1 PHE A 138 15.004 3.474 -6.058 1.00 2.01 H new ATOM 0 HE2 PHE A 138 11.796 2.776 -8.826 1.00 2.35 H new ATOM 0 HZ PHE A 138 14.166 2.471 -8.165 1.00 2.49 H new ATOM 2168 N TYR A 139 10.011 5.389 -1.804 1.00 0.01 N ATOM 2169 CA TYR A 139 9.310 6.166 -0.728 1.00 0.01 C ATOM 2170 C TYR A 139 10.152 7.388 -0.345 1.00 0.01 C ATOM 2171 O TYR A 139 11.369 7.353 -0.371 1.00 0.01 O ATOM 2172 CB TYR A 139 9.117 5.280 0.504 1.00 0.01 C ATOM 2173 CG TYR A 139 8.474 3.971 0.099 1.00 0.01 C ATOM 2174 CD1 TYR A 139 9.223 3.010 -0.586 1.00 0.01 C ATOM 2175 CD2 TYR A 139 7.132 3.719 0.413 1.00 0.01 C ATOM 2176 CE1 TYR A 139 8.634 1.795 -0.957 1.00 0.01 C ATOM 2177 CE2 TYR A 139 6.542 2.504 0.042 1.00 0.02 C ATOM 2178 CZ TYR A 139 7.294 1.543 -0.644 1.00 0.02 C ATOM 2179 OH TYR A 139 6.714 0.346 -1.012 1.00 0.00 O ATOM 0 H TYR A 139 10.953 5.080 -1.565 1.00 0.01 H new ATOM 0 HA TYR A 139 8.338 6.493 -1.097 1.00 0.01 H new ATOM 0 HB2 TYR A 139 10.078 5.091 0.981 1.00 0.01 H new ATOM 0 HB3 TYR A 139 8.492 5.791 1.237 1.00 0.01 H new ATOM 0 HD1 TYR A 139 10.257 3.205 -0.829 1.00 0.01 H new ATOM 0 HD2 TYR A 139 6.552 4.462 0.941 1.00 0.01 H new ATOM 0 HE1 TYR A 139 9.214 1.053 -1.485 1.00 0.01 H new ATOM 0 HE2 TYR A 139 5.508 2.309 0.285 1.00 0.02 H new ATOM 0 HH TYR A 139 5.779 0.331 -0.718 1.00 0.00 H new ATOM 2189 N GLU A 140 9.508 8.486 -0.041 1.00 0.01 N ATOM 2190 CA GLU A 140 10.248 9.743 0.278 1.00 0.02 C ATOM 2191 C GLU A 140 10.877 9.701 1.675 1.00 0.01 C ATOM 2192 O GLU A 140 11.881 10.346 1.907 1.00 0.01 O ATOM 2193 CB GLU A 140 9.243 10.893 0.222 1.00 0.01 C ATOM 2194 CG GLU A 140 9.993 12.226 0.232 1.00 0.02 C ATOM 2195 CD GLU A 140 8.997 13.374 0.071 1.00 0.02 C ATOM 2196 OE1 GLU A 140 7.831 13.167 0.367 1.00 0.01 O ATOM 2197 OE2 GLU A 140 9.413 14.440 -0.349 1.00 0.02 O ATOM 0 H GLU A 140 8.492 8.565 0.000 1.00 0.01 H new ATOM 0 HA GLU A 140 11.057 9.870 -0.442 1.00 0.02 H new ATOM 0 HB2 GLU A 140 8.633 10.813 -0.678 1.00 0.01 H new ATOM 0 HB3 GLU A 140 8.564 10.839 1.073 1.00 0.01 H new ATOM 0 HG2 GLU A 140 10.545 12.338 1.165 1.00 0.02 H new ATOM 0 HG3 GLU A 140 10.725 12.250 -0.576 1.00 0.02 H new ATOM 2204 N LEU A 141 10.314 8.978 2.618 1.00 0.01 N ATOM 2205 CA LEU A 141 10.907 8.942 4.000 1.00 0.02 C ATOM 2206 C LEU A 141 11.398 7.512 4.299 1.00 0.01 C ATOM 2207 O LEU A 141 10.855 6.555 3.778 1.00 0.01 O ATOM 2208 CB LEU A 141 9.803 9.322 5.000 1.00 0.57 C ATOM 2209 CG LEU A 141 9.190 10.676 4.615 1.00 0.81 C ATOM 2210 CD1 LEU A 141 7.975 10.947 5.503 1.00 1.48 C ATOM 2211 CD2 LEU A 141 10.226 11.797 4.806 1.00 1.24 C ATOM 0 H LEU A 141 9.474 8.413 2.493 1.00 0.01 H new ATOM 0 HA LEU A 141 11.745 9.635 4.078 1.00 0.02 H new ATOM 0 HB2 LEU A 141 9.030 8.553 5.011 1.00 0.57 H new ATOM 0 HB3 LEU A 141 10.215 9.373 6.008 1.00 0.57 H new ATOM 0 HG LEU A 141 8.885 10.650 3.569 1.00 0.81 H new ATOM 0 HD11 LEU A 141 7.535 11.907 5.234 1.00 1.48 H new ATOM 0 HD12 LEU A 141 7.237 10.157 5.361 1.00 1.48 H new ATOM 0 HD13 LEU A 141 8.286 10.970 6.548 1.00 1.48 H new ATOM 0 HD21 LEU A 141 9.782 12.754 4.530 1.00 1.24 H new ATOM 0 HD22 LEU A 141 10.539 11.829 5.850 1.00 1.24 H new ATOM 0 HD23 LEU A 141 11.092 11.603 4.173 1.00 1.24 H new ATOM 2223 N PRO A 142 12.408 7.348 5.142 1.00 0.01 N ATOM 2224 CA PRO A 142 12.921 5.986 5.467 1.00 0.01 C ATOM 2225 C PRO A 142 11.815 5.043 5.961 1.00 0.01 C ATOM 2226 O PRO A 142 10.719 5.445 6.297 1.00 0.01 O ATOM 2227 CB PRO A 142 13.959 6.263 6.579 1.00 0.01 C ATOM 2228 CG PRO A 142 13.984 7.779 6.861 1.00 0.02 C ATOM 2229 CD PRO A 142 13.113 8.484 5.807 1.00 0.01 C ATOM 0 HA PRO A 142 13.337 5.480 4.596 1.00 0.01 H new ATOM 0 HB2 PRO A 142 13.700 5.714 7.484 1.00 0.01 H new ATOM 0 HB3 PRO A 142 14.946 5.919 6.270 1.00 0.01 H new ATOM 0 HG2 PRO A 142 13.607 7.984 7.863 1.00 0.02 H new ATOM 0 HG3 PRO A 142 15.006 8.155 6.821 1.00 0.02 H new ATOM 0 HD2 PRO A 142 12.412 9.182 6.264 1.00 0.01 H new ATOM 0 HD3 PRO A 142 13.716 9.054 5.100 1.00 0.01 H new ATOM 2237 N ASN A 143 12.146 3.783 6.020 1.00 0.01 N ATOM 2238 CA ASN A 143 11.190 2.752 6.508 1.00 0.01 C ATOM 2239 C ASN A 143 9.921 2.727 5.655 1.00 0.01 C ATOM 2240 O ASN A 143 8.853 2.373 6.113 1.00 0.01 O ATOM 2241 CB ASN A 143 10.812 3.062 7.959 1.00 0.23 C ATOM 2242 CG ASN A 143 12.073 3.407 8.755 1.00 0.11 C ATOM 2243 OD1 ASN A 143 13.197 2.809 8.463 1.00 0.75 O flip ATOM 2244 ND2 ASN A 143 12.034 4.227 9.649 1.00 0.56 N flip ATOM 0 H ASN A 143 13.058 3.418 5.745 1.00 0.01 H new ATOM 0 HA ASN A 143 11.672 1.777 6.439 1.00 0.01 H new ATOM 0 HB2 ASN A 143 10.109 3.895 7.993 1.00 0.23 H new ATOM 0 HB3 ASN A 143 10.311 2.204 8.406 1.00 0.23 H new ATOM 0 HD21 ASN A 143 11.155 4.693 9.876 1.00 0.56 H new ATOM 0 HD22 ASN A 143 12.880 4.450 10.174 1.00 0.56 H new ATOM 2251 N TYR A 144 10.045 3.063 4.399 1.00 0.01 N ATOM 2252 CA TYR A 144 8.874 3.023 3.476 1.00 0.02 C ATOM 2253 C TYR A 144 7.731 3.917 3.979 1.00 0.01 C ATOM 2254 O TYR A 144 6.597 3.486 4.078 1.00 0.01 O ATOM 2255 CB TYR A 144 8.388 1.569 3.356 1.00 0.01 C ATOM 2256 CG TYR A 144 9.582 0.641 3.458 1.00 0.01 C ATOM 2257 CD1 TYR A 144 10.630 0.752 2.536 1.00 0.01 C ATOM 2258 CD2 TYR A 144 9.648 -0.317 4.479 1.00 0.01 C ATOM 2259 CE1 TYR A 144 11.743 -0.095 2.632 1.00 0.01 C ATOM 2260 CE2 TYR A 144 10.761 -1.162 4.577 1.00 0.01 C ATOM 2261 CZ TYR A 144 11.808 -1.052 3.653 1.00 0.01 C ATOM 2262 OH TYR A 144 12.905 -1.884 3.750 1.00 0.01 O ATOM 0 H TYR A 144 10.918 3.367 3.968 1.00 0.01 H new ATOM 0 HA TYR A 144 9.183 3.401 2.501 1.00 0.02 H new ATOM 0 HB2 TYR A 144 7.669 1.346 4.144 1.00 0.01 H new ATOM 0 HB3 TYR A 144 7.875 1.420 2.406 1.00 0.01 H new ATOM 0 HD1 TYR A 144 10.581 1.491 1.750 1.00 0.01 H new ATOM 0 HD2 TYR A 144 8.840 -0.404 5.191 1.00 0.01 H new ATOM 0 HE1 TYR A 144 12.550 -0.010 1.919 1.00 0.01 H new ATOM 0 HE2 TYR A 144 10.812 -1.899 5.365 1.00 0.01 H new ATOM 0 HH TYR A 144 12.791 -2.488 4.514 1.00 0.01 H new ATOM 2272 N ARG A 145 8.020 5.160 4.289 1.00 0.02 N ATOM 2273 CA ARG A 145 6.947 6.095 4.778 1.00 0.01 C ATOM 2274 C ARG A 145 6.926 7.363 3.917 1.00 0.01 C ATOM 2275 O ARG A 145 7.853 7.641 3.183 1.00 0.01 O ATOM 2276 CB ARG A 145 7.237 6.485 6.229 1.00 0.01 C ATOM 2277 CG ARG A 145 6.954 5.291 7.143 1.00 0.02 C ATOM 2278 CD ARG A 145 7.454 5.599 8.556 1.00 0.01 C ATOM 2279 NE ARG A 145 7.101 4.471 9.464 1.00 0.01 N ATOM 2280 CZ ARG A 145 7.674 4.368 10.631 1.00 0.01 C ATOM 2281 NH1 ARG A 145 8.557 5.253 11.007 1.00 0.02 N ATOM 2282 NH2 ARG A 145 7.366 3.379 11.423 1.00 0.01 N ATOM 0 H ARG A 145 8.952 5.570 4.225 1.00 0.02 H new ATOM 0 HA ARG A 145 5.981 5.594 4.711 1.00 0.01 H new ATOM 0 HB2 ARG A 145 8.276 6.798 6.332 1.00 0.01 H new ATOM 0 HB3 ARG A 145 6.618 7.334 6.519 1.00 0.01 H new ATOM 0 HG2 ARG A 145 5.885 5.080 7.162 1.00 0.02 H new ATOM 0 HG3 ARG A 145 7.448 4.399 6.757 1.00 0.02 H new ATOM 0 HD2 ARG A 145 8.534 5.749 8.547 1.00 0.01 H new ATOM 0 HD3 ARG A 145 7.007 6.525 8.918 1.00 0.01 H new ATOM 0 HE ARG A 145 6.411 3.779 9.172 1.00 0.01 H new ATOM 0 HH11 ARG A 145 8.800 6.026 10.388 1.00 0.02 H new ATOM 0 HH12 ARG A 145 9.004 5.171 11.920 1.00 0.02 H new ATOM 0 HH21 ARG A 145 6.677 2.686 11.130 1.00 0.01 H new ATOM 0 HH22 ARG A 145 7.814 3.298 12.336 1.00 0.01 H new ATOM 2296 N GLY A 146 5.866 8.136 3.991 1.00 0.01 N ATOM 2297 CA GLY A 146 5.775 9.384 3.177 1.00 0.02 C ATOM 2298 C GLY A 146 5.142 9.085 1.814 1.00 0.01 C ATOM 2299 O GLY A 146 4.548 8.046 1.602 1.00 0.02 O ATOM 0 H GLY A 146 5.058 7.951 4.585 1.00 0.01 H new ATOM 0 HA2 GLY A 146 5.181 10.129 3.706 1.00 0.02 H new ATOM 0 HA3 GLY A 146 6.769 9.809 3.039 1.00 0.02 H new ATOM 2303 N ARG A 147 5.268 10.002 0.892 1.00 0.01 N ATOM 2304 CA ARG A 147 4.677 9.800 -0.464 1.00 0.01 C ATOM 2305 C ARG A 147 5.446 8.699 -1.185 1.00 0.01 C ATOM 2306 O ARG A 147 6.647 8.565 -1.050 1.00 0.01 O ATOM 2307 CB ARG A 147 4.789 11.104 -1.255 1.00 0.01 C ATOM 2308 CG ARG A 147 4.006 10.978 -2.564 1.00 0.01 C ATOM 2309 CD ARG A 147 3.976 12.331 -3.273 1.00 0.01 C ATOM 2310 NE ARG A 147 3.387 13.354 -2.363 1.00 0.02 N ATOM 2311 CZ ARG A 147 3.529 14.622 -2.630 1.00 0.02 C ATOM 2312 NH1 ARG A 147 4.192 14.995 -3.691 1.00 0.01 N ATOM 2313 NH2 ARG A 147 3.012 15.519 -1.834 1.00 0.02 N ATOM 0 H ARG A 147 5.758 10.888 1.020 1.00 0.01 H new ATOM 0 HA ARG A 147 3.629 9.514 -0.376 1.00 0.01 H new ATOM 0 HB2 ARG A 147 4.400 11.934 -0.665 1.00 0.01 H new ATOM 0 HB3 ARG A 147 5.835 11.325 -1.465 1.00 0.01 H new ATOM 0 HG2 ARG A 147 4.469 10.229 -3.206 1.00 0.01 H new ATOM 0 HG3 ARG A 147 2.990 10.639 -2.361 1.00 0.01 H new ATOM 0 HD2 ARG A 147 4.985 12.624 -3.563 1.00 0.01 H new ATOM 0 HD3 ARG A 147 3.389 12.261 -4.188 1.00 0.01 H new ATOM 0 HE ARG A 147 2.873 13.062 -1.532 1.00 0.02 H new ATOM 0 HH11 ARG A 147 4.599 14.294 -4.311 1.00 0.01 H new ATOM 0 HH12 ARG A 147 4.303 15.987 -3.900 1.00 0.01 H new ATOM 0 HH21 ARG A 147 2.497 15.227 -1.003 1.00 0.02 H new ATOM 0 HH22 ARG A 147 3.123 16.511 -2.043 1.00 0.02 H new ATOM 2327 N GLN A 148 4.737 7.882 -1.931 1.00 0.01 N ATOM 2328 CA GLN A 148 5.378 6.739 -2.651 1.00 0.01 C ATOM 2329 C GLN A 148 5.260 6.944 -4.167 1.00 0.01 C ATOM 2330 O GLN A 148 4.306 7.520 -4.652 1.00 0.01 O ATOM 2331 CB GLN A 148 4.618 5.463 -2.254 1.00 0.00 C ATOM 2332 CG GLN A 148 4.224 5.540 -0.777 1.00 0.02 C ATOM 2333 CD GLN A 148 3.770 4.162 -0.294 1.00 0.02 C ATOM 2334 OE1 GLN A 148 3.639 3.242 -1.077 1.00 0.02 O ATOM 2335 NE2 GLN A 148 3.524 3.978 0.975 1.00 0.01 N ATOM 0 H GLN A 148 3.730 7.962 -2.071 1.00 0.01 H new ATOM 0 HA GLN A 148 6.434 6.667 -2.389 1.00 0.01 H new ATOM 0 HB2 GLN A 148 3.728 5.350 -2.873 1.00 0.00 H new ATOM 0 HB3 GLN A 148 5.242 4.586 -2.429 1.00 0.00 H new ATOM 0 HG2 GLN A 148 5.070 5.884 -0.182 1.00 0.02 H new ATOM 0 HG3 GLN A 148 3.422 6.266 -0.642 1.00 0.02 H new ATOM 0 HE21 GLN A 148 3.634 4.750 1.633 1.00 0.01 H new ATOM 0 HE22 GLN A 148 3.222 3.063 1.308 1.00 0.01 H new ATOM 2344 N TYR A 149 6.220 6.456 -4.911 1.00 0.01 N ATOM 2345 CA TYR A 149 6.189 6.585 -6.404 1.00 0.01 C ATOM 2346 C TYR A 149 6.317 5.192 -7.032 1.00 0.01 C ATOM 2347 O TYR A 149 7.128 4.394 -6.606 1.00 0.01 O ATOM 2348 CB TYR A 149 7.355 7.468 -6.871 1.00 0.01 C ATOM 2349 CG TYR A 149 7.438 7.442 -8.384 1.00 0.01 C ATOM 2350 CD1 TYR A 149 6.367 7.919 -9.150 1.00 0.01 C ATOM 2351 CD2 TYR A 149 8.581 6.934 -9.019 1.00 0.01 C ATOM 2352 CE1 TYR A 149 6.440 7.891 -10.548 1.00 0.01 C ATOM 2353 CE2 TYR A 149 8.652 6.907 -10.417 1.00 0.01 C ATOM 2354 CZ TYR A 149 7.582 7.383 -11.181 1.00 0.01 C ATOM 2355 OH TYR A 149 7.651 7.356 -12.558 1.00 0.01 O ATOM 0 H TYR A 149 7.036 5.967 -4.544 1.00 0.01 H new ATOM 0 HA TYR A 149 5.248 7.042 -6.712 1.00 0.01 H new ATOM 0 HB2 TYR A 149 7.212 8.491 -6.522 1.00 0.01 H new ATOM 0 HB3 TYR A 149 8.290 7.111 -6.439 1.00 0.01 H new ATOM 0 HD1 TYR A 149 5.485 8.308 -8.663 1.00 0.01 H new ATOM 0 HD2 TYR A 149 9.407 6.564 -8.429 1.00 0.01 H new ATOM 0 HE1 TYR A 149 5.615 8.261 -11.139 1.00 0.01 H new ATOM 0 HE2 TYR A 149 9.533 6.518 -10.905 1.00 0.01 H new ATOM 0 HH TYR A 149 8.510 6.975 -12.835 1.00 0.01 H new ATOM 2365 N LEU A 150 5.527 4.882 -8.033 1.00 0.01 N ATOM 2366 CA LEU A 150 5.618 3.530 -8.669 1.00 0.01 C ATOM 2367 C LEU A 150 6.469 3.638 -9.941 1.00 0.01 C ATOM 2368 O LEU A 150 6.143 4.370 -10.855 1.00 0.01 O ATOM 2369 CB LEU A 150 4.192 3.062 -9.011 1.00 0.01 C ATOM 2370 CG LEU A 150 4.133 1.529 -9.081 1.00 0.01 C ATOM 2371 CD1 LEU A 150 2.678 1.084 -9.250 1.00 0.01 C ATOM 2372 CD2 LEU A 150 4.963 1.029 -10.269 1.00 0.01 C ATOM 0 H LEU A 150 4.826 5.504 -8.435 1.00 0.01 H new ATOM 0 HA LEU A 150 6.083 2.810 -7.996 1.00 0.01 H new ATOM 0 HB2 LEU A 150 3.493 3.425 -8.258 1.00 0.01 H new ATOM 0 HB3 LEU A 150 3.882 3.488 -9.965 1.00 0.01 H new ATOM 0 HG LEU A 150 4.539 1.111 -8.160 1.00 0.01 H new ATOM 0 HD11 LEU A 150 2.634 -0.004 -9.300 1.00 0.01 H new ATOM 0 HD12 LEU A 150 2.090 1.433 -8.401 1.00 0.01 H new ATOM 0 HD13 LEU A 150 2.273 1.506 -10.170 1.00 0.01 H new ATOM 0 HD21 LEU A 150 4.917 -0.059 -10.313 1.00 0.01 H new ATOM 0 HD22 LEU A 150 4.564 1.447 -11.193 1.00 0.01 H new ATOM 0 HD23 LEU A 150 5.999 1.344 -10.147 1.00 0.01 H new ATOM 2384 N LEU A 151 7.550 2.905 -10.014 1.00 0.01 N ATOM 2385 CA LEU A 151 8.419 2.948 -11.232 1.00 0.01 C ATOM 2386 C LEU A 151 8.077 1.754 -12.126 1.00 0.01 C ATOM 2387 O LEU A 151 7.673 0.711 -11.648 1.00 0.01 O ATOM 2388 CB LEU A 151 9.893 2.887 -10.804 1.00 0.01 C ATOM 2389 CG LEU A 151 10.827 3.017 -12.040 1.00 0.01 C ATOM 2390 CD1 LEU A 151 12.048 3.880 -11.695 1.00 0.01 C ATOM 2391 CD2 LEU A 151 11.317 1.631 -12.482 1.00 0.01 C ATOM 0 H LEU A 151 7.871 2.275 -9.279 1.00 0.01 H new ATOM 0 HA LEU A 151 8.250 3.872 -11.785 1.00 0.01 H new ATOM 0 HB2 LEU A 151 10.105 3.688 -10.095 1.00 0.01 H new ATOM 0 HB3 LEU A 151 10.090 1.946 -10.290 1.00 0.01 H new ATOM 0 HG LEU A 151 10.261 3.484 -12.846 1.00 0.01 H new ATOM 0 HD11 LEU A 151 12.694 3.963 -12.569 1.00 0.01 H new ATOM 0 HD12 LEU A 151 11.717 4.874 -11.393 1.00 0.01 H new ATOM 0 HD13 LEU A 151 12.601 3.417 -10.878 1.00 0.01 H new ATOM 0 HD21 LEU A 151 11.970 1.735 -13.348 1.00 0.01 H new ATOM 0 HD22 LEU A 151 11.868 1.163 -11.666 1.00 0.01 H new ATOM 0 HD23 LEU A 151 10.461 1.010 -12.746 1.00 0.01 H new ATOM 2403 N ASP A 152 8.230 1.899 -13.421 1.00 0.01 N ATOM 2404 CA ASP A 152 7.903 0.775 -14.361 1.00 0.01 C ATOM 2405 C ASP A 152 9.194 0.129 -14.875 1.00 0.00 C ATOM 2406 O ASP A 152 9.789 -0.699 -14.215 1.00 0.01 O ATOM 2407 CB ASP A 152 7.107 1.329 -15.547 1.00 1.04 C ATOM 2408 CG ASP A 152 7.748 2.631 -16.030 1.00 1.54 C ATOM 2409 OD1 ASP A 152 7.567 3.639 -15.368 1.00 1.57 O ATOM 2410 OD2 ASP A 152 8.405 2.599 -17.056 1.00 2.27 O ATOM 0 H ASP A 152 8.568 2.750 -13.871 1.00 0.01 H new ATOM 0 HA ASP A 152 7.314 0.024 -13.834 1.00 0.01 H new ATOM 0 HB2 ASP A 152 7.086 0.600 -16.357 1.00 1.04 H new ATOM 0 HB3 ASP A 152 6.073 1.508 -15.252 1.00 1.04 H new ATOM 2415 N LYS A 153 9.630 0.494 -16.051 1.00 0.01 N ATOM 2416 CA LYS A 153 10.878 -0.109 -16.602 1.00 0.01 C ATOM 2417 C LYS A 153 11.340 0.695 -17.819 1.00 0.01 C ATOM 2418 O LYS A 153 11.635 0.144 -18.861 1.00 0.01 O ATOM 2419 CB LYS A 153 10.604 -1.555 -17.019 1.00 0.38 C ATOM 2420 CG LYS A 153 9.348 -1.605 -17.893 1.00 0.71 C ATOM 2421 CD LYS A 153 9.110 -3.041 -18.365 1.00 0.72 C ATOM 2422 CE LYS A 153 8.019 -3.056 -19.436 1.00 1.09 C ATOM 2423 NZ LYS A 153 7.721 -4.463 -19.825 1.00 1.84 N ATOM 0 H LYS A 153 9.177 1.182 -16.653 1.00 0.01 H new ATOM 0 HA LYS A 153 11.657 -0.092 -15.840 1.00 0.01 H new ATOM 0 HB2 LYS A 153 11.457 -1.955 -17.567 1.00 0.38 H new ATOM 0 HB3 LYS A 153 10.471 -2.180 -16.136 1.00 0.38 H new ATOM 0 HG2 LYS A 153 8.486 -1.249 -17.329 1.00 0.71 H new ATOM 0 HG3 LYS A 153 9.463 -0.943 -18.752 1.00 0.71 H new ATOM 0 HD2 LYS A 153 10.033 -3.460 -18.766 1.00 0.72 H new ATOM 0 HD3 LYS A 153 8.815 -3.667 -17.523 1.00 0.72 H new ATOM 0 HE2 LYS A 153 7.118 -2.574 -19.058 1.00 1.09 H new ATOM 0 HE3 LYS A 153 8.343 -2.488 -20.308 1.00 1.09 H new ATOM 0 HZ1 LYS A 153 6.979 -4.472 -20.553 1.00 1.84 H new ATOM 0 HZ2 LYS A 153 8.582 -4.909 -20.202 1.00 1.84 H new ATOM 0 HZ3 LYS A 153 7.394 -4.992 -18.991 1.00 1.84 H new ATOM 2437 N LYS A 154 11.407 1.996 -17.687 1.00 0.00 N ATOM 2438 CA LYS A 154 11.849 2.868 -18.822 1.00 0.01 C ATOM 2439 C LYS A 154 13.189 3.516 -18.460 1.00 0.01 C ATOM 2440 O LYS A 154 13.762 3.234 -17.428 1.00 0.00 O ATOM 2441 CB LYS A 154 10.787 3.954 -19.050 1.00 0.39 C ATOM 2442 CG LYS A 154 11.144 4.814 -20.280 1.00 0.48 C ATOM 2443 CD LYS A 154 9.866 5.373 -20.919 1.00 0.97 C ATOM 2444 CE LYS A 154 10.236 6.336 -22.047 1.00 1.44 C ATOM 2445 NZ LYS A 154 10.804 7.585 -21.464 1.00 2.28 N ATOM 0 H LYS A 154 11.172 2.498 -16.831 1.00 0.00 H new ATOM 0 HA LYS A 154 11.969 2.279 -19.731 1.00 0.01 H new ATOM 0 HB2 LYS A 154 9.811 3.491 -19.194 1.00 0.39 H new ATOM 0 HB3 LYS A 154 10.712 4.588 -18.166 1.00 0.39 H new ATOM 0 HG2 LYS A 154 11.800 5.632 -19.984 1.00 0.48 H new ATOM 0 HG3 LYS A 154 11.691 4.214 -21.007 1.00 0.48 H new ATOM 0 HD2 LYS A 154 9.256 4.558 -21.308 1.00 0.97 H new ATOM 0 HD3 LYS A 154 9.268 5.889 -20.168 1.00 0.97 H new ATOM 0 HE2 LYS A 154 10.961 5.870 -22.715 1.00 1.44 H new ATOM 0 HE3 LYS A 154 9.355 6.568 -22.645 1.00 1.44 H new ATOM 0 HZ1 LYS A 154 10.757 8.349 -22.168 1.00 2.28 H new ATOM 0 HZ2 LYS A 154 10.256 7.856 -20.622 1.00 2.28 H new ATOM 0 HZ3 LYS A 154 11.795 7.423 -21.194 1.00 2.28 H new ATOM 2459 N GLU A 155 13.692 4.386 -19.299 1.00 0.01 N ATOM 2460 CA GLU A 155 14.995 5.059 -19.003 1.00 0.01 C ATOM 2461 C GLU A 155 14.711 6.457 -18.457 1.00 0.01 C ATOM 2462 O GLU A 155 14.256 7.333 -19.166 1.00 0.01 O ATOM 2463 CB GLU A 155 15.810 5.174 -20.294 1.00 0.01 C ATOM 2464 CG GLU A 155 16.086 3.775 -20.851 1.00 0.01 C ATOM 2465 CD GLU A 155 17.109 3.871 -21.984 1.00 0.01 C ATOM 2466 OE1 GLU A 155 17.317 4.969 -22.475 1.00 0.01 O ATOM 2467 OE2 GLU A 155 17.666 2.846 -22.341 1.00 0.01 O ATOM 0 H GLU A 155 13.256 4.660 -20.179 1.00 0.01 H new ATOM 0 HA GLU A 155 15.557 4.480 -18.270 1.00 0.01 H new ATOM 0 HB2 GLU A 155 15.266 5.768 -21.028 1.00 0.01 H new ATOM 0 HB3 GLU A 155 16.750 5.691 -20.099 1.00 0.01 H new ATOM 0 HG2 GLU A 155 16.462 3.125 -20.061 1.00 0.01 H new ATOM 0 HG3 GLU A 155 15.162 3.329 -21.218 1.00 0.01 H new ATOM 2474 N TYR A 156 14.958 6.665 -17.189 1.00 0.00 N ATOM 2475 CA TYR A 156 14.688 7.998 -16.572 1.00 0.01 C ATOM 2476 C TYR A 156 15.981 8.814 -16.497 1.00 0.01 C ATOM 2477 O TYR A 156 16.914 8.449 -15.809 1.00 0.01 O ATOM 2478 CB TYR A 156 14.125 7.778 -15.169 1.00 0.01 C ATOM 2479 CG TYR A 156 13.010 6.760 -15.234 1.00 0.00 C ATOM 2480 CD1 TYR A 156 11.694 7.177 -15.462 1.00 0.01 C ATOM 2481 CD2 TYR A 156 13.294 5.400 -15.065 1.00 0.01 C ATOM 2482 CE1 TYR A 156 10.661 6.232 -15.521 1.00 0.01 C ATOM 2483 CE2 TYR A 156 12.262 4.457 -15.123 1.00 0.01 C ATOM 2484 CZ TYR A 156 10.947 4.872 -15.351 1.00 0.01 C ATOM 2485 OH TYR A 156 9.931 3.941 -15.409 1.00 0.01 O ATOM 0 H TYR A 156 15.337 5.965 -16.551 1.00 0.00 H new ATOM 0 HA TYR A 156 13.969 8.549 -17.178 1.00 0.01 H new ATOM 0 HB2 TYR A 156 14.912 7.431 -14.499 1.00 0.01 H new ATOM 0 HB3 TYR A 156 13.752 8.718 -14.763 1.00 0.01 H new ATOM 0 HD1 TYR A 156 11.475 8.226 -15.592 1.00 0.01 H new ATOM 0 HD2 TYR A 156 14.310 5.078 -14.890 1.00 0.01 H new ATOM 0 HE1 TYR A 156 9.645 6.553 -15.697 1.00 0.01 H new ATOM 0 HE2 TYR A 156 12.482 3.408 -14.992 1.00 0.01 H new ATOM 0 HH TYR A 156 9.076 4.377 -15.213 1.00 0.01 H new ATOM 2495 N ARG A 157 16.060 9.895 -17.228 1.00 0.01 N ATOM 2496 CA ARG A 157 17.314 10.711 -17.228 1.00 0.01 C ATOM 2497 C ARG A 157 17.237 11.865 -16.221 1.00 0.00 C ATOM 2498 O ARG A 157 18.256 12.364 -15.787 1.00 0.01 O ATOM 2499 CB ARG A 157 17.528 11.292 -18.625 1.00 0.01 C ATOM 2500 CG ARG A 157 17.849 10.164 -19.607 1.00 0.01 C ATOM 2501 CD ARG A 157 18.123 10.756 -20.990 1.00 0.00 C ATOM 2502 NE ARG A 157 17.014 11.681 -21.362 1.00 0.01 N ATOM 2503 CZ ARG A 157 17.173 12.527 -22.344 1.00 0.01 C ATOM 2504 NH1 ARG A 157 18.303 12.566 -22.995 1.00 0.01 N ATOM 2505 NH2 ARG A 157 16.204 13.337 -22.672 1.00 0.01 N ATOM 0 H ARG A 157 15.312 10.249 -17.825 1.00 0.01 H new ATOM 0 HA ARG A 157 18.142 10.061 -16.943 1.00 0.01 H new ATOM 0 HB2 ARG A 157 16.634 11.826 -18.948 1.00 0.01 H new ATOM 0 HB3 ARG A 157 18.343 12.016 -18.608 1.00 0.01 H new ATOM 0 HG2 ARG A 157 18.717 9.602 -19.261 1.00 0.01 H new ATOM 0 HG3 ARG A 157 17.016 9.463 -19.658 1.00 0.01 H new ATOM 0 HD2 ARG A 157 19.072 11.292 -20.987 1.00 0.00 H new ATOM 0 HD3 ARG A 157 18.209 9.959 -21.728 1.00 0.00 H new ATOM 0 HE ARG A 157 16.132 11.653 -20.850 1.00 0.01 H new ATOM 0 HH11 ARG A 157 19.062 11.936 -22.737 1.00 0.01 H new ATOM 0 HH12 ARG A 157 18.427 13.227 -23.762 1.00 0.01 H new ATOM 0 HH21 ARG A 157 15.322 13.310 -22.161 1.00 0.01 H new ATOM 0 HH22 ARG A 157 16.329 13.998 -23.439 1.00 0.01 H new ATOM 2519 N LYS A 158 16.056 12.301 -15.835 1.00 0.01 N ATOM 2520 CA LYS A 158 15.943 13.427 -14.846 1.00 0.01 C ATOM 2521 C LYS A 158 15.019 12.994 -13.690 1.00 0.01 C ATOM 2522 O LYS A 158 14.155 12.163 -13.878 1.00 0.01 O ATOM 2523 CB LYS A 158 15.334 14.643 -15.562 1.00 0.58 C ATOM 2524 CG LYS A 158 16.427 15.401 -16.321 1.00 0.97 C ATOM 2525 CD LYS A 158 15.808 16.596 -17.050 1.00 1.44 C ATOM 2526 CE LYS A 158 16.864 17.257 -17.936 1.00 2.13 C ATOM 2527 NZ LYS A 158 18.133 17.407 -17.171 1.00 2.54 N ATOM 0 H LYS A 158 15.166 11.925 -16.162 1.00 0.01 H new ATOM 0 HA LYS A 158 16.925 13.682 -14.447 1.00 0.01 H new ATOM 0 HB2 LYS A 158 14.557 14.317 -16.254 1.00 0.58 H new ATOM 0 HB3 LYS A 158 14.858 15.303 -14.836 1.00 0.58 H new ATOM 0 HG2 LYS A 158 17.196 15.743 -15.628 1.00 0.97 H new ATOM 0 HG3 LYS A 158 16.915 14.738 -17.036 1.00 0.97 H new ATOM 0 HD2 LYS A 158 14.963 16.268 -17.656 1.00 1.44 H new ATOM 0 HD3 LYS A 158 15.422 17.316 -16.328 1.00 1.44 H new ATOM 0 HE2 LYS A 158 17.034 16.654 -18.828 1.00 2.13 H new ATOM 0 HE3 LYS A 158 16.513 18.232 -18.272 1.00 2.13 H new ATOM 0 HZ1 LYS A 158 18.718 18.146 -17.611 1.00 2.54 H new ATOM 0 HZ2 LYS A 158 17.917 17.675 -16.190 1.00 2.54 H new ATOM 0 HZ3 LYS A 158 18.651 16.505 -17.178 1.00 2.54 H new ATOM 2541 N PRO A 159 15.158 13.568 -12.511 1.00 0.01 N ATOM 2542 CA PRO A 159 14.254 13.204 -11.380 1.00 0.02 C ATOM 2543 C PRO A 159 12.794 13.523 -11.736 1.00 0.01 C ATOM 2544 O PRO A 159 11.896 12.778 -11.402 1.00 0.01 O ATOM 2545 CB PRO A 159 14.776 14.094 -10.233 1.00 0.41 C ATOM 2546 CG PRO A 159 15.779 15.102 -10.829 1.00 0.70 C ATOM 2547 CD PRO A 159 16.197 14.596 -12.217 1.00 0.28 C ATOM 0 HA PRO A 159 14.261 12.144 -11.127 1.00 0.02 H new ATOM 0 HB2 PRO A 159 13.950 14.618 -9.751 1.00 0.41 H new ATOM 0 HB3 PRO A 159 15.257 13.485 -9.467 1.00 0.41 H new ATOM 0 HG2 PRO A 159 15.326 16.090 -10.905 1.00 0.70 H new ATOM 0 HG3 PRO A 159 16.650 15.200 -10.181 1.00 0.70 H new ATOM 0 HD2 PRO A 159 16.198 15.396 -12.957 1.00 0.28 H new ATOM 0 HD3 PRO A 159 17.200 14.169 -12.208 1.00 0.28 H new ATOM 2555 N VAL A 160 12.544 14.615 -12.403 1.00 0.01 N ATOM 2556 CA VAL A 160 11.137 14.954 -12.763 1.00 0.02 C ATOM 2557 C VAL A 160 10.574 13.844 -13.652 1.00 0.02 C ATOM 2558 O VAL A 160 9.376 13.688 -13.779 1.00 0.02 O ATOM 2559 CB VAL A 160 11.113 16.281 -13.522 1.00 0.14 C ATOM 2560 CG1 VAL A 160 9.682 16.591 -13.965 1.00 0.86 C ATOM 2561 CG2 VAL A 160 11.617 17.401 -12.608 1.00 0.74 C ATOM 0 H VAL A 160 13.248 15.285 -12.713 1.00 0.01 H new ATOM 0 HA VAL A 160 10.533 15.046 -11.860 1.00 0.02 H new ATOM 0 HB VAL A 160 11.757 16.209 -14.398 1.00 0.14 H new ATOM 0 HG11 VAL A 160 9.665 17.537 -14.506 1.00 0.86 H new ATOM 0 HG12 VAL A 160 9.322 15.794 -14.616 1.00 0.86 H new ATOM 0 HG13 VAL A 160 9.037 16.663 -13.089 1.00 0.86 H new ATOM 0 HG21 VAL A 160 11.600 18.347 -13.149 1.00 0.74 H new ATOM 0 HG22 VAL A 160 10.973 17.473 -11.731 1.00 0.74 H new ATOM 0 HG23 VAL A 160 12.637 17.182 -12.292 1.00 0.74 H new ATOM 2571 N ASP A 161 11.420 13.067 -14.266 1.00 0.00 N ATOM 2572 CA ASP A 161 10.903 11.974 -15.134 1.00 0.01 C ATOM 2573 C ASP A 161 10.162 10.937 -14.278 1.00 0.01 C ATOM 2574 O ASP A 161 9.409 10.127 -14.782 1.00 0.01 O ATOM 2575 CB ASP A 161 12.066 11.303 -15.863 1.00 0.00 C ATOM 2576 CG ASP A 161 11.522 10.424 -16.992 1.00 0.02 C ATOM 2577 OD1 ASP A 161 10.343 10.113 -16.959 1.00 0.00 O ATOM 2578 OD2 ASP A 161 12.293 10.077 -17.870 1.00 0.00 O ATOM 0 H ASP A 161 12.436 13.139 -14.206 1.00 0.00 H new ATOM 0 HA ASP A 161 10.213 12.393 -15.866 1.00 0.01 H new ATOM 0 HB2 ASP A 161 12.739 12.058 -16.268 1.00 0.00 H new ATOM 0 HB3 ASP A 161 12.647 10.699 -15.165 1.00 0.00 H new ATOM 2583 N TRP A 162 10.352 10.974 -12.979 1.00 0.01 N ATOM 2584 CA TRP A 162 9.638 10.009 -12.084 1.00 0.01 C ATOM 2585 C TRP A 162 8.376 10.690 -11.543 1.00 0.01 C ATOM 2586 O TRP A 162 7.719 10.170 -10.664 1.00 0.01 O ATOM 2587 CB TRP A 162 10.522 9.636 -10.884 1.00 0.01 C ATOM 2588 CG TRP A 162 11.579 8.660 -11.288 1.00 0.02 C ATOM 2589 CD1 TRP A 162 12.062 8.498 -12.541 1.00 0.01 C ATOM 2590 CD2 TRP A 162 12.294 7.710 -10.448 1.00 0.01 C ATOM 2591 NE1 TRP A 162 13.028 7.508 -12.520 1.00 0.01 N ATOM 2592 CE2 TRP A 162 13.206 6.991 -11.254 1.00 0.01 C ATOM 2593 CE3 TRP A 162 12.237 7.404 -9.075 1.00 0.01 C ATOM 2594 CZ2 TRP A 162 14.035 6.004 -10.720 1.00 0.01 C ATOM 2595 CZ3 TRP A 162 13.070 6.412 -8.532 1.00 0.01 C ATOM 2596 CH2 TRP A 162 13.968 5.713 -9.354 1.00 0.01 C ATOM 0 H TRP A 162 10.970 11.630 -12.502 1.00 0.01 H new ATOM 0 HA TRP A 162 9.395 9.111 -12.653 1.00 0.01 H new ATOM 0 HB2 TRP A 162 10.986 10.534 -10.475 1.00 0.01 H new ATOM 0 HB3 TRP A 162 9.907 9.207 -10.093 1.00 0.01 H new ATOM 0 HD1 TRP A 162 11.746 9.050 -13.414 1.00 0.01 H new ATOM 0 HE1 TRP A 162 13.546 7.198 -13.342 1.00 0.01 H new ATOM 0 HE3 TRP A 162 11.548 7.936 -8.435 1.00 0.01 H new ATOM 0 HZ2 TRP A 162 14.723 5.469 -11.357 1.00 0.01 H new ATOM 0 HZ3 TRP A 162 13.019 6.186 -7.477 1.00 0.01 H new ATOM 0 HH2 TRP A 162 14.607 4.951 -8.932 1.00 0.01 H new ATOM 2607 N GLY A 163 8.010 11.824 -12.067 1.00 0.02 N ATOM 2608 CA GLY A 163 6.769 12.493 -11.582 1.00 0.01 C ATOM 2609 C GLY A 163 7.027 13.211 -10.256 1.00 0.01 C ATOM 2610 O GLY A 163 6.112 13.648 -9.585 1.00 0.01 O ATOM 0 H GLY A 163 8.512 12.316 -12.806 1.00 0.02 H new ATOM 0 HA2 GLY A 163 6.420 13.208 -12.327 1.00 0.01 H new ATOM 0 HA3 GLY A 163 5.978 11.754 -11.454 1.00 0.01 H new ATOM 2614 N ALA A 164 8.270 13.311 -9.860 1.00 0.01 N ATOM 2615 CA ALA A 164 8.603 13.971 -8.560 1.00 0.02 C ATOM 2616 C ALA A 164 9.057 15.408 -8.803 1.00 0.01 C ATOM 2617 O ALA A 164 9.750 15.708 -9.754 1.00 0.02 O ATOM 2618 CB ALA A 164 9.760 13.212 -7.909 1.00 0.01 C ATOM 0 H ALA A 164 9.073 12.962 -10.383 1.00 0.01 H new ATOM 0 HA ALA A 164 7.721 13.967 -7.920 1.00 0.02 H new ATOM 0 HB1 ALA A 164 10.015 13.682 -6.959 1.00 0.01 H new ATOM 0 HB2 ALA A 164 9.464 12.178 -7.734 1.00 0.01 H new ATOM 0 HB3 ALA A 164 10.627 13.235 -8.569 1.00 0.01 H new ATOM 2624 N ALA A 165 8.669 16.298 -7.930 1.00 0.02 N ATOM 2625 CA ALA A 165 9.066 17.726 -8.074 1.00 0.01 C ATOM 2626 C ALA A 165 10.450 17.939 -7.459 1.00 0.02 C ATOM 2627 O ALA A 165 11.050 18.984 -7.619 1.00 0.01 O ATOM 2628 CB ALA A 165 8.055 18.621 -7.352 1.00 0.59 C ATOM 0 H ALA A 165 8.089 16.094 -7.116 1.00 0.02 H new ATOM 0 HA ALA A 165 9.090 17.983 -9.133 1.00 0.01 H new ATOM 0 HB1 ALA A 165 8.350 19.665 -7.461 1.00 0.59 H new ATOM 0 HB2 ALA A 165 7.066 18.477 -7.787 1.00 0.59 H new ATOM 0 HB3 ALA A 165 8.028 18.360 -6.294 1.00 0.59 H new ATOM 2634 N SER A 166 10.982 16.955 -6.774 1.00 0.01 N ATOM 2635 CA SER A 166 12.342 17.093 -6.168 1.00 0.01 C ATOM 2636 C SER A 166 13.051 15.724 -6.237 1.00 0.02 C ATOM 2637 O SER A 166 12.396 14.701 -6.193 1.00 0.01 O ATOM 2638 CB SER A 166 12.208 17.522 -4.706 1.00 0.72 C ATOM 2639 OG SER A 166 11.289 16.661 -4.047 1.00 0.87 O ATOM 0 H SER A 166 10.528 16.057 -6.608 1.00 0.01 H new ATOM 0 HA SER A 166 12.919 17.842 -6.710 1.00 0.01 H new ATOM 0 HB2 SER A 166 13.179 17.482 -4.213 1.00 0.72 H new ATOM 0 HB3 SER A 166 11.863 18.554 -4.648 1.00 0.72 H new ATOM 0 HG SER A 166 11.202 16.932 -3.109 1.00 0.87 H new ATOM 2645 N PRO A 167 14.366 15.675 -6.334 1.00 0.02 N ATOM 2646 CA PRO A 167 15.080 14.361 -6.389 1.00 0.01 C ATOM 2647 C PRO A 167 15.160 13.676 -5.014 1.00 0.01 C ATOM 2648 O PRO A 167 16.028 12.861 -4.776 1.00 0.01 O ATOM 2649 CB PRO A 167 16.479 14.789 -6.853 1.00 0.38 C ATOM 2650 CG PRO A 167 16.646 16.272 -6.488 1.00 0.35 C ATOM 2651 CD PRO A 167 15.239 16.887 -6.404 1.00 0.22 C ATOM 0 HA PRO A 167 14.583 13.634 -7.031 1.00 0.01 H new ATOM 0 HB2 PRO A 167 17.246 14.185 -6.369 1.00 0.38 H new ATOM 0 HB3 PRO A 167 16.589 14.643 -7.927 1.00 0.38 H new ATOM 0 HG2 PRO A 167 17.168 16.377 -5.537 1.00 0.35 H new ATOM 0 HG3 PRO A 167 17.246 16.787 -7.239 1.00 0.35 H new ATOM 0 HD2 PRO A 167 15.124 17.522 -5.526 1.00 0.22 H new ATOM 0 HD3 PRO A 167 15.011 17.503 -7.274 1.00 0.22 H new ATOM 2659 N ALA A 168 14.301 14.026 -4.094 1.00 0.01 N ATOM 2660 CA ALA A 168 14.397 13.408 -2.737 1.00 0.01 C ATOM 2661 C ALA A 168 13.717 12.033 -2.694 1.00 0.01 C ATOM 2662 O ALA A 168 12.546 11.877 -2.972 1.00 0.02 O ATOM 2663 CB ALA A 168 13.719 14.328 -1.720 1.00 0.18 C ATOM 0 H ALA A 168 13.548 14.702 -4.218 1.00 0.01 H new ATOM 0 HA ALA A 168 15.452 13.276 -2.498 1.00 0.01 H new ATOM 0 HB1 ALA A 168 13.785 13.884 -0.727 1.00 0.18 H new ATOM 0 HB2 ALA A 168 14.217 15.297 -1.718 1.00 0.18 H new ATOM 0 HB3 ALA A 168 12.671 14.459 -1.990 1.00 0.18 H new ATOM 2669 N ILE A 169 14.485 11.046 -2.312 1.00 0.01 N ATOM 2670 CA ILE A 169 13.979 9.643 -2.193 1.00 0.01 C ATOM 2671 C ILE A 169 14.789 8.966 -1.081 1.00 0.01 C ATOM 2672 O ILE A 169 16.004 9.022 -1.084 1.00 0.01 O ATOM 2673 CB ILE A 169 14.191 8.901 -3.526 1.00 1.81 C ATOM 2674 CG1 ILE A 169 13.923 9.852 -4.700 1.00 2.75 C ATOM 2675 CG2 ILE A 169 13.230 7.717 -3.607 1.00 2.24 C ATOM 2676 CD1 ILE A 169 14.059 9.089 -6.021 1.00 3.99 C ATOM 0 H ILE A 169 15.470 11.156 -2.071 1.00 0.01 H new ATOM 0 HA ILE A 169 12.914 9.628 -1.960 1.00 0.01 H new ATOM 0 HB ILE A 169 15.220 8.545 -3.578 1.00 1.81 H new ATOM 0 HG12 ILE A 169 12.923 10.277 -4.615 1.00 2.75 H new ATOM 0 HG13 ILE A 169 14.627 10.684 -4.675 1.00 2.75 H new ATOM 0 HG21 ILE A 169 13.379 7.191 -4.550 1.00 2.24 H new ATOM 0 HG22 ILE A 169 13.421 7.036 -2.778 1.00 2.24 H new ATOM 0 HG23 ILE A 169 12.203 8.078 -3.551 1.00 2.24 H new ATOM 0 HD11 ILE A 169 13.868 9.766 -6.854 1.00 3.99 H new ATOM 0 HD12 ILE A 169 15.068 8.685 -6.106 1.00 3.99 H new ATOM 0 HD13 ILE A 169 13.338 8.272 -6.045 1.00 3.99 H new ATOM 2688 N GLN A 170 14.137 8.367 -0.105 1.00 0.01 N ATOM 2689 CA GLN A 170 14.884 7.738 1.036 1.00 0.01 C ATOM 2690 C GLN A 170 14.754 6.207 1.090 1.00 0.02 C ATOM 2691 O GLN A 170 15.522 5.572 1.783 1.00 0.01 O ATOM 2692 CB GLN A 170 14.356 8.320 2.349 1.00 2.62 C ATOM 2693 CG GLN A 170 14.556 9.839 2.353 1.00 3.39 C ATOM 2694 CD GLN A 170 16.034 10.159 2.590 1.00 4.36 C ATOM 2695 OE1 GLN A 170 16.827 9.272 2.833 1.00 4.83 O ATOM 2696 NE2 GLN A 170 16.441 11.398 2.528 1.00 5.17 N ATOM 0 H GLN A 170 13.122 8.288 -0.051 1.00 0.01 H new ATOM 0 HA GLN A 170 15.940 7.962 0.884 1.00 0.01 H new ATOM 0 HB2 GLN A 170 13.299 8.082 2.465 1.00 2.62 H new ATOM 0 HB3 GLN A 170 14.879 7.872 3.194 1.00 2.62 H new ATOM 0 HG2 GLN A 170 14.229 10.262 1.403 1.00 3.39 H new ATOM 0 HG3 GLN A 170 13.945 10.295 3.132 1.00 3.39 H new ATOM 0 HE21 GLN A 170 15.776 12.144 2.324 1.00 5.17 H new ATOM 0 HE22 GLN A 170 17.424 11.620 2.684 1.00 5.17 H new ATOM 2705 N SER A 171 13.833 5.568 0.405 1.00 0.01 N ATOM 2706 CA SER A 171 13.778 4.070 0.526 1.00 0.01 C ATOM 2707 C SER A 171 13.075 3.459 -0.694 1.00 0.01 C ATOM 2708 O SER A 171 12.345 4.122 -1.402 1.00 0.01 O ATOM 2709 CB SER A 171 13.010 3.696 1.794 1.00 0.01 C ATOM 2710 OG SER A 171 13.243 2.328 2.098 1.00 0.02 O ATOM 0 H SER A 171 13.141 5.996 -0.210 1.00 0.01 H new ATOM 0 HA SER A 171 14.795 3.681 0.577 1.00 0.01 H new ATOM 0 HB2 SER A 171 13.330 4.325 2.625 1.00 0.01 H new ATOM 0 HB3 SER A 171 11.944 3.872 1.652 1.00 0.01 H new ATOM 0 HG SER A 171 12.389 1.883 2.278 1.00 0.02 H new ATOM 2716 N PHE A 172 13.277 2.182 -0.934 1.00 0.01 N ATOM 2717 CA PHE A 172 12.602 1.523 -2.099 1.00 0.01 C ATOM 2718 C PHE A 172 12.382 0.033 -1.819 1.00 0.01 C ATOM 2719 O PHE A 172 13.096 -0.580 -1.042 1.00 0.01 O ATOM 2720 CB PHE A 172 13.437 1.703 -3.374 1.00 1.06 C ATOM 2721 CG PHE A 172 14.706 0.882 -3.305 1.00 0.75 C ATOM 2722 CD1 PHE A 172 14.667 -0.501 -3.535 1.00 0.75 C ATOM 2723 CD2 PHE A 172 15.928 1.508 -3.028 1.00 1.29 C ATOM 2724 CE1 PHE A 172 15.848 -1.254 -3.480 1.00 1.16 C ATOM 2725 CE2 PHE A 172 17.107 0.755 -2.976 1.00 2.02 C ATOM 2726 CZ PHE A 172 17.065 -0.626 -3.201 1.00 1.92 C ATOM 0 H PHE A 172 13.876 1.572 -0.377 1.00 0.01 H new ATOM 0 HA PHE A 172 11.632 1.997 -2.246 1.00 0.01 H new ATOM 0 HB2 PHE A 172 12.851 1.403 -4.243 1.00 1.06 H new ATOM 0 HB3 PHE A 172 13.686 2.756 -3.505 1.00 1.06 H new ATOM 0 HD1 PHE A 172 13.727 -0.986 -3.754 1.00 0.75 H new ATOM 0 HD2 PHE A 172 15.961 2.573 -2.854 1.00 1.29 H new ATOM 0 HE1 PHE A 172 15.818 -2.320 -3.653 1.00 1.16 H new ATOM 0 HE2 PHE A 172 18.048 1.239 -2.762 1.00 2.02 H new ATOM 0 HZ PHE A 172 17.974 -1.207 -3.159 1.00 1.92 H new ATOM 2736 N ARG A 173 11.374 -0.550 -2.428 1.00 0.01 N ATOM 2737 CA ARG A 173 11.073 -1.996 -2.188 1.00 0.01 C ATOM 2738 C ARG A 173 10.560 -2.650 -3.475 1.00 0.01 C ATOM 2739 O ARG A 173 9.919 -2.026 -4.303 1.00 0.01 O ATOM 2740 CB ARG A 173 9.974 -2.122 -1.126 1.00 0.01 C ATOM 2741 CG ARG A 173 10.511 -1.744 0.257 1.00 0.01 C ATOM 2742 CD ARG A 173 9.508 -2.196 1.327 1.00 0.01 C ATOM 2743 NE ARG A 173 9.639 -3.666 1.542 1.00 0.01 N ATOM 2744 CZ ARG A 173 9.106 -4.222 2.596 1.00 0.01 C ATOM 2745 NH1 ARG A 173 8.457 -3.492 3.462 1.00 0.01 N ATOM 2746 NH2 ARG A 173 9.221 -5.509 2.783 1.00 0.01 N ATOM 0 H ARG A 173 10.746 -0.083 -3.083 1.00 0.01 H new ATOM 0 HA ARG A 173 11.988 -2.488 -1.857 1.00 0.01 H new ATOM 0 HB2 ARG A 173 9.135 -1.476 -1.385 1.00 0.01 H new ATOM 0 HB3 ARG A 173 9.595 -3.144 -1.107 1.00 0.01 H new ATOM 0 HG2 ARG A 173 11.479 -2.216 0.426 1.00 0.01 H new ATOM 0 HG3 ARG A 173 10.666 -0.667 0.318 1.00 0.01 H new ATOM 0 HD2 ARG A 173 9.691 -1.663 2.260 1.00 0.01 H new ATOM 0 HD3 ARG A 173 8.492 -1.952 1.015 1.00 0.01 H new ATOM 0 HE ARG A 173 10.145 -4.237 0.865 1.00 0.01 H new ATOM 0 HH11 ARG A 173 8.366 -2.487 3.315 1.00 0.01 H new ATOM 0 HH12 ARG A 173 8.041 -3.927 4.285 1.00 0.01 H new ATOM 0 HH21 ARG A 173 9.727 -6.080 2.106 1.00 0.01 H new ATOM 0 HH22 ARG A 173 8.805 -5.944 3.606 1.00 0.01 H new ATOM 2760 N ARG A 174 10.822 -3.922 -3.628 1.00 0.01 N ATOM 2761 CA ARG A 174 10.345 -4.660 -4.831 1.00 0.01 C ATOM 2762 C ARG A 174 8.938 -5.204 -4.562 1.00 0.01 C ATOM 2763 O ARG A 174 8.627 -5.619 -3.463 1.00 0.01 O ATOM 2764 CB ARG A 174 11.283 -5.833 -5.121 1.00 0.01 C ATOM 2765 CG ARG A 174 10.943 -6.442 -6.483 1.00 0.01 C ATOM 2766 CD ARG A 174 11.715 -7.749 -6.666 1.00 0.01 C ATOM 2767 NE ARG A 174 11.186 -8.774 -5.722 1.00 0.01 N ATOM 2768 CZ ARG A 174 11.486 -10.033 -5.892 1.00 0.01 C ATOM 2769 NH1 ARG A 174 12.251 -10.396 -6.885 1.00 0.01 N ATOM 2770 NH2 ARG A 174 11.020 -10.930 -5.066 1.00 0.01 N ATOM 0 H ARG A 174 11.352 -4.485 -2.963 1.00 0.01 H new ATOM 0 HA ARG A 174 10.329 -3.985 -5.686 1.00 0.01 H new ATOM 0 HB2 ARG A 174 12.319 -5.493 -5.112 1.00 0.01 H new ATOM 0 HB3 ARG A 174 11.188 -6.588 -4.341 1.00 0.01 H new ATOM 0 HG2 ARG A 174 9.871 -6.628 -6.552 1.00 0.01 H new ATOM 0 HG3 ARG A 174 11.198 -5.743 -7.279 1.00 0.01 H new ATOM 0 HD2 ARG A 174 11.618 -8.100 -7.693 1.00 0.01 H new ATOM 0 HD3 ARG A 174 12.777 -7.585 -6.484 1.00 0.01 H new ATOM 0 HE ARG A 174 10.590 -8.492 -4.944 1.00 0.01 H new ATOM 0 HH11 ARG A 174 12.616 -9.695 -7.530 1.00 0.01 H new ATOM 0 HH12 ARG A 174 12.484 -11.380 -7.016 1.00 0.01 H new ATOM 0 HH21 ARG A 174 10.423 -10.647 -4.289 1.00 0.01 H new ATOM 0 HH22 ARG A 174 11.253 -11.914 -5.197 1.00 0.01 H new ATOM 2784 N ILE A 175 8.093 -5.227 -5.561 1.00 0.01 N ATOM 2785 CA ILE A 175 6.710 -5.772 -5.356 1.00 0.01 C ATOM 2786 C ILE A 175 6.689 -7.251 -5.755 1.00 0.00 C ATOM 2787 O ILE A 175 7.121 -7.611 -6.832 1.00 0.01 O ATOM 2788 CB ILE A 175 5.694 -5.007 -6.215 1.00 1.52 C ATOM 2789 CG1 ILE A 175 6.016 -3.506 -6.195 1.00 2.51 C ATOM 2790 CG2 ILE A 175 4.285 -5.229 -5.656 1.00 1.75 C ATOM 2791 CD1 ILE A 175 4.891 -2.717 -6.888 1.00 3.04 C ATOM 0 H ILE A 175 8.295 -4.895 -6.504 1.00 0.01 H new ATOM 0 HA ILE A 175 6.440 -5.658 -4.306 1.00 0.01 H new ATOM 0 HB ILE A 175 5.746 -5.373 -7.241 1.00 1.52 H new ATOM 0 HG12 ILE A 175 6.131 -3.164 -5.166 1.00 2.51 H new ATOM 0 HG13 ILE A 175 6.964 -3.322 -6.700 1.00 2.51 H new ATOM 0 HG21 ILE A 175 3.562 -4.686 -6.265 1.00 1.75 H new ATOM 0 HG22 ILE A 175 4.049 -6.293 -5.675 1.00 1.75 H new ATOM 0 HG23 ILE A 175 4.240 -4.866 -4.629 1.00 1.75 H new ATOM 0 HD11 ILE A 175 5.128 -1.653 -6.869 1.00 3.04 H new ATOM 0 HD12 ILE A 175 4.797 -3.050 -7.922 1.00 3.04 H new ATOM 0 HD13 ILE A 175 3.950 -2.889 -6.365 1.00 3.04 H new ATOM 2803 N VAL A 176 6.192 -8.113 -4.902 1.00 0.01 N ATOM 2804 CA VAL A 176 6.146 -9.572 -5.237 1.00 0.00 C ATOM 2805 C VAL A 176 4.787 -10.146 -4.833 1.00 0.01 C ATOM 2806 O VAL A 176 4.190 -9.733 -3.858 1.00 0.00 O ATOM 2807 CB VAL A 176 7.241 -10.311 -4.465 1.00 1.38 C ATOM 2808 CG1 VAL A 176 7.006 -10.142 -2.963 1.00 1.88 C ATOM 2809 CG2 VAL A 176 7.202 -11.799 -4.822 1.00 1.89 C ATOM 0 H VAL A 176 5.815 -7.869 -3.986 1.00 0.01 H new ATOM 0 HA VAL A 176 6.300 -9.697 -6.309 1.00 0.00 H new ATOM 0 HB VAL A 176 8.215 -9.899 -4.731 1.00 1.38 H new ATOM 0 HG11 VAL A 176 7.785 -10.668 -2.411 1.00 1.88 H new ATOM 0 HG12 VAL A 176 7.032 -9.083 -2.708 1.00 1.88 H new ATOM 0 HG13 VAL A 176 6.033 -10.555 -2.698 1.00 1.88 H new ATOM 0 HG21 VAL A 176 7.982 -12.326 -4.272 1.00 1.89 H new ATOM 0 HG22 VAL A 176 6.229 -12.212 -4.556 1.00 1.89 H new ATOM 0 HG23 VAL A 176 7.367 -11.921 -5.892 1.00 1.89 H new ATOM 2819 N GLU A 177 4.291 -11.097 -5.575 1.00 0.01 N ATOM 2820 CA GLU A 177 2.973 -11.702 -5.242 1.00 0.01 C ATOM 2821 C GLU A 177 3.077 -12.450 -3.912 1.00 0.01 C ATOM 2822 CB GLU A 177 2.570 -12.680 -6.346 1.00 2.15 C ATOM 2823 CG GLU A 177 1.137 -13.160 -6.105 1.00 3.19 C ATOM 2824 CD GLU A 177 0.645 -13.937 -7.326 1.00 4.20 C ATOM 2825 OE1 GLU A 177 0.141 -13.308 -8.240 1.00 4.89 O ATOM 2826 OE2 GLU A 177 0.781 -15.149 -7.328 1.00 4.77 O ATOM 0 H GLU A 177 4.746 -11.483 -6.403 1.00 0.01 H new ATOM 0 HA GLU A 177 2.222 -10.916 -5.159 1.00 0.01 H new ATOM 0 HB2 GLU A 177 2.644 -12.196 -7.320 1.00 2.15 H new ATOM 0 HB3 GLU A 177 3.252 -13.530 -6.360 1.00 2.15 H new ATOM 0 HG2 GLU A 177 1.099 -13.793 -5.219 1.00 3.19 H new ATOM 0 HG3 GLU A 177 0.484 -12.308 -5.916 1.00 3.19 H new TER 2833 GLU A 177