USER MOD reduce.3.24.130724 H: found=0, std=0, add=702, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 704 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 97 GLN :FLIP amide:sc= -0.494 F(o=-6.9,f=-5.8) USER MOD Set 1.2: A 109 ASN : amide:sc= -5.35! C(o=-5.8!,f=-13!) USER MOD Set 2.1: A 93 GLN : amide:sc= -1.32 X(o=-1.3,f=-1.1) USER MOD Set 2.2: A 95 SER OG : rot 180:sc=-0.00381 USER MOD Set 3.1: A 69 CYS SG : rot 7:sc= -7.9! USER MOD Set 3.2: A 74 GLN :FLIP amide:sc= -1.14 F(o=-8.8,f=-7.2) USER MOD Set 3.3: A 107 LYS NZ :NH3+ -159:sc= 1.85 (180deg=0.571) USER MOD Set 4.1: A 61 CYS SG : rot 160:sc= 1.04 USER MOD Set 4.2: A 66 HIS : no HD1:sc= -7.58! C(o=-6.5!,f=-16!) USER MOD Single : A 34 MET CE :methyl -146:sc= -2.15! (180deg=-5!) USER MOD Single : A 37 CYS SG : rot 34:sc= 0.0561 USER MOD Single : A 39 SER OG : rot 180:sc= 0.0311 USER MOD Single : A 40 GLN : amide:sc= -2.63! C(o=-2.6!,f=-2.4!) USER MOD Single : A 45 ASN :FLIP amide:sc= -1.81! F(o=-2.6,f=-1.8!) USER MOD Single : A 50 ASN : amide:sc= -1.36 K(o=-1.4,f=-8.6!) USER MOD Single : A 52 LYS NZ :NH3+ -109:sc= 0.723 (180deg=-1.43) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN :FLIP amide:sc= 0 F(o=-0.91,f=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.0543 X(o=-0.054,f=-0.29) USER MOD Single : A 80 SER OG : rot -79:sc= 1.16 USER MOD Single : A 84 GLN : amide:sc= -7.03! C(o=-7!,f=-7.6!) USER MOD Single : A 87 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0258) USER MOD Single : A 88 THR OG1 : rot 130:sc= -0.288 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 46:sc= 0.476 USER MOD Single : A 101 TYR OH : rot 180:sc= -0.0395 USER MOD Single : A 102 GLN :FLIP amide:sc= -2.42 F(o=-3.6!,f=-2.4) USER MOD Single : A 104 MET CE :methyl 159:sc= -0.559 (180deg=-2!) USER MOD Single : A 115 LYS NZ :NH3+ 140:sc= 1.09 (180deg=-0.126) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 THR OG1 : rot 180:sc= -0.709 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 34 3.930 10.705 -8.094 1.00 0.00 N ATOM 2 CA MET A 34 2.814 11.306 -7.326 1.00 0.00 C ATOM 3 C MET A 34 2.226 10.277 -6.369 1.00 0.00 C ATOM 4 O MET A 34 2.197 10.480 -5.156 1.00 0.00 O ATOM 5 CB MET A 34 1.728 11.824 -8.275 1.00 0.00 C ATOM 6 CG MET A 34 0.579 12.554 -7.583 1.00 0.00 C ATOM 7 SD MET A 34 1.001 14.231 -7.047 1.00 0.00 S ATOM 8 CE MET A 34 2.018 13.919 -5.605 1.00 0.00 C ATOM 0 HA MET A 34 3.201 12.147 -6.750 1.00 0.00 H new ATOM 0 HB2 MET A 34 2.187 12.498 -8.999 1.00 0.00 H new ATOM 0 HB3 MET A 34 1.322 10.982 -8.836 1.00 0.00 H new ATOM 0 HG2 MET A 34 -0.271 12.603 -8.263 1.00 0.00 H new ATOM 0 HG3 MET A 34 0.261 11.974 -6.716 1.00 0.00 H new ATOM 0 HE1 MET A 34 1.856 14.706 -4.868 1.00 0.00 H new ATOM 0 HE2 MET A 34 1.750 12.955 -5.172 1.00 0.00 H new ATOM 0 HE3 MET A 34 3.068 13.906 -5.896 1.00 0.00 H new ATOM 20 N ALA A 35 1.755 9.170 -6.922 1.00 0.00 N ATOM 21 CA ALA A 35 1.253 8.068 -6.124 1.00 0.00 C ATOM 22 C ALA A 35 2.281 6.947 -6.100 1.00 0.00 C ATOM 23 O ALA A 35 2.392 6.172 -7.049 1.00 0.00 O ATOM 24 CB ALA A 35 -0.073 7.572 -6.678 1.00 0.00 C ATOM 0 H ALA A 35 1.711 9.013 -7.929 1.00 0.00 H new ATOM 0 HA ALA A 35 1.083 8.412 -5.104 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.436 6.745 -6.068 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.801 8.383 -6.660 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.066 7.232 -7.704 1.00 0.00 H new ATOM 30 N GLU A 36 3.060 6.890 -5.033 1.00 0.00 N ATOM 31 CA GLU A 36 4.100 5.880 -4.897 1.00 0.00 C ATOM 32 C GLU A 36 3.492 4.526 -4.553 1.00 0.00 C ATOM 33 O GLU A 36 3.008 4.324 -3.443 1.00 0.00 O ATOM 34 CB GLU A 36 5.093 6.294 -3.813 1.00 0.00 C ATOM 35 CG GLU A 36 5.918 7.518 -4.172 1.00 0.00 C ATOM 36 CD GLU A 36 6.760 7.303 -5.411 1.00 0.00 C ATOM 37 OE1 GLU A 36 7.703 6.489 -5.357 1.00 0.00 O ATOM 38 OE2 GLU A 36 6.478 7.942 -6.448 1.00 0.00 O ATOM 0 H GLU A 36 2.993 7.533 -4.244 1.00 0.00 H new ATOM 0 HA GLU A 36 4.624 5.794 -5.849 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.547 6.493 -2.891 1.00 0.00 H new ATOM 0 HB3 GLU A 36 5.766 5.460 -3.612 1.00 0.00 H new ATOM 0 HG2 GLU A 36 5.253 8.367 -4.331 1.00 0.00 H new ATOM 0 HG3 GLU A 36 6.567 7.774 -3.335 1.00 0.00 H new ATOM 45 N CYS A 37 3.507 3.611 -5.509 1.00 0.00 N ATOM 46 CA CYS A 37 2.949 2.287 -5.294 1.00 0.00 C ATOM 47 C CYS A 37 4.056 1.270 -5.052 1.00 0.00 C ATOM 48 O CYS A 37 4.977 1.130 -5.858 1.00 0.00 O ATOM 49 CB CYS A 37 2.080 1.865 -6.483 1.00 0.00 C ATOM 50 SG CYS A 37 2.900 1.963 -8.092 1.00 0.00 S ATOM 0 H CYS A 37 3.899 3.761 -6.439 1.00 0.00 H new ATOM 0 HA CYS A 37 2.318 2.324 -4.406 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.744 0.841 -6.324 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.189 2.493 -6.506 1.00 0.00 H new ATOM 0 HG CYS A 37 4.159 1.669 -7.956 1.00 0.00 H new ATOM 56 N VAL A 38 3.957 0.558 -3.944 1.00 0.00 N ATOM 57 CA VAL A 38 4.952 -0.437 -3.587 1.00 0.00 C ATOM 58 C VAL A 38 4.318 -1.822 -3.611 1.00 0.00 C ATOM 59 O VAL A 38 3.153 -1.993 -3.246 1.00 0.00 O ATOM 60 CB VAL A 38 5.563 -0.153 -2.192 1.00 0.00 C ATOM 61 CG1 VAL A 38 4.491 -0.164 -1.114 1.00 0.00 C ATOM 62 CG2 VAL A 38 6.671 -1.146 -1.866 1.00 0.00 C ATOM 0 H VAL A 38 3.194 0.651 -3.273 1.00 0.00 H new ATOM 0 HA VAL A 38 5.760 -0.391 -4.317 1.00 0.00 H new ATOM 0 HB VAL A 38 6.003 0.844 -2.219 1.00 0.00 H new ATOM 0 HG11 VAL A 38 4.947 0.038 -0.145 1.00 0.00 H new ATOM 0 HG12 VAL A 38 3.748 0.603 -1.332 1.00 0.00 H new ATOM 0 HG13 VAL A 38 4.008 -1.141 -1.091 1.00 0.00 H new ATOM 0 HG21 VAL A 38 7.082 -0.923 -0.881 1.00 0.00 H new ATOM 0 HG22 VAL A 38 6.265 -2.158 -1.869 1.00 0.00 H new ATOM 0 HG23 VAL A 38 7.460 -1.069 -2.614 1.00 0.00 H new ATOM 72 N SER A 39 5.073 -2.805 -4.066 1.00 0.00 N ATOM 73 CA SER A 39 4.571 -4.156 -4.161 1.00 0.00 C ATOM 74 C SER A 39 5.035 -4.984 -2.966 1.00 0.00 C ATOM 75 O SER A 39 6.206 -5.334 -2.852 1.00 0.00 O ATOM 76 CB SER A 39 5.021 -4.784 -5.484 1.00 0.00 C ATOM 77 OG SER A 39 6.334 -4.367 -5.830 1.00 0.00 O ATOM 0 H SER A 39 6.038 -2.689 -4.375 1.00 0.00 H new ATOM 0 HA SER A 39 3.481 -4.136 -4.144 1.00 0.00 H new ATOM 0 HB2 SER A 39 4.991 -5.871 -5.403 1.00 0.00 H new ATOM 0 HB3 SER A 39 4.327 -4.505 -6.277 1.00 0.00 H new ATOM 0 HG SER A 39 6.597 -4.784 -6.677 1.00 0.00 H new ATOM 83 N GLN A 40 4.103 -5.283 -2.075 1.00 0.00 N ATOM 84 CA GLN A 40 4.398 -6.061 -0.885 1.00 0.00 C ATOM 85 C GLN A 40 3.200 -6.904 -0.506 1.00 0.00 C ATOM 86 O GLN A 40 2.071 -6.589 -0.867 1.00 0.00 O ATOM 87 CB GLN A 40 4.789 -5.156 0.278 1.00 0.00 C ATOM 88 CG GLN A 40 6.283 -5.142 0.559 1.00 0.00 C ATOM 89 CD GLN A 40 6.737 -6.272 1.466 1.00 0.00 C ATOM 90 OE1 GLN A 40 7.858 -6.761 1.350 1.00 0.00 O ATOM 91 NE2 GLN A 40 5.883 -6.677 2.392 1.00 0.00 N ATOM 0 H GLN A 40 3.128 -4.995 -2.156 1.00 0.00 H new ATOM 0 HA GLN A 40 5.242 -6.715 -1.106 1.00 0.00 H new ATOM 0 HB2 GLN A 40 4.458 -4.140 0.065 1.00 0.00 H new ATOM 0 HB3 GLN A 40 4.262 -5.481 1.175 1.00 0.00 H new ATOM 0 HG2 GLN A 40 6.823 -5.205 -0.386 1.00 0.00 H new ATOM 0 HG3 GLN A 40 6.550 -4.189 1.016 1.00 0.00 H new ATOM 0 HE21 GLN A 40 4.960 -6.247 2.458 1.00 0.00 H new ATOM 0 HE22 GLN A 40 6.147 -7.419 3.040 1.00 0.00 H new ATOM 100 N ALA A 41 3.460 -7.981 0.195 1.00 0.00 N ATOM 101 CA ALA A 41 2.421 -8.895 0.609 1.00 0.00 C ATOM 102 C ALA A 41 2.424 -9.047 2.124 1.00 0.00 C ATOM 103 O ALA A 41 3.454 -8.833 2.766 1.00 0.00 O ATOM 104 CB ALA A 41 2.655 -10.221 -0.070 1.00 0.00 C ATOM 0 H ALA A 41 4.397 -8.249 0.495 1.00 0.00 H new ATOM 0 HA ALA A 41 1.443 -8.509 0.321 1.00 0.00 H new ATOM 0 HB1 ALA A 41 1.879 -10.926 0.231 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.624 -10.087 -1.151 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.631 -10.611 0.219 1.00 0.00 H new ATOM 110 N ILE A 42 1.284 -9.433 2.698 1.00 0.00 N ATOM 111 CA ILE A 42 1.152 -9.518 4.157 1.00 0.00 C ATOM 112 C ILE A 42 0.122 -10.576 4.535 1.00 0.00 C ATOM 113 O ILE A 42 -0.594 -11.097 3.676 1.00 0.00 O ATOM 114 CB ILE A 42 0.723 -8.175 4.827 1.00 0.00 C ATOM 115 CG1 ILE A 42 -0.806 -8.070 4.921 1.00 0.00 C ATOM 116 CG2 ILE A 42 1.282 -6.974 4.083 1.00 0.00 C ATOM 117 CD1 ILE A 42 -1.289 -6.789 5.562 1.00 0.00 C ATOM 0 H ILE A 42 0.443 -9.691 2.181 1.00 0.00 H new ATOM 0 HA ILE A 42 2.146 -9.777 4.523 1.00 0.00 H new ATOM 0 HB ILE A 42 1.138 -8.173 5.835 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.229 -8.146 3.919 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.185 -8.917 5.493 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.962 -6.058 4.579 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.371 -7.023 4.079 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.915 -6.978 3.057 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.379 -6.786 5.594 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -0.896 -6.719 6.576 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.941 -5.937 4.979 1.00 0.00 H new ATOM 129 N ASP A 43 0.052 -10.878 5.824 1.00 0.00 N ATOM 130 CA ASP A 43 -0.971 -11.766 6.357 1.00 0.00 C ATOM 131 C ASP A 43 -2.336 -11.091 6.312 1.00 0.00 C ATOM 132 O ASP A 43 -2.484 -9.978 6.808 1.00 0.00 O ATOM 133 CB ASP A 43 -0.634 -12.109 7.803 1.00 0.00 C ATOM 134 CG ASP A 43 0.424 -13.185 7.927 1.00 0.00 C ATOM 135 OD1 ASP A 43 1.624 -12.846 7.934 1.00 0.00 O ATOM 136 OD2 ASP A 43 0.058 -14.375 8.020 1.00 0.00 O ATOM 0 H ASP A 43 0.698 -10.517 6.526 1.00 0.00 H new ATOM 0 HA ASP A 43 -1.002 -12.672 5.752 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.290 -11.209 8.313 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -1.540 -12.438 8.313 1.00 0.00 H new ATOM 141 N ILE A 44 -3.347 -11.749 5.747 1.00 0.00 N ATOM 142 CA ILE A 44 -4.666 -11.133 5.641 1.00 0.00 C ATOM 143 C ILE A 44 -5.549 -11.545 6.795 1.00 0.00 C ATOM 144 O ILE A 44 -6.601 -10.962 7.019 1.00 0.00 O ATOM 145 CB ILE A 44 -5.386 -11.499 4.338 1.00 0.00 C ATOM 146 CG1 ILE A 44 -5.941 -12.914 4.370 1.00 0.00 C ATOM 147 CG2 ILE A 44 -4.436 -11.355 3.178 1.00 0.00 C ATOM 148 CD1 ILE A 44 -7.036 -13.119 3.352 1.00 0.00 C ATOM 0 H ILE A 44 -3.280 -12.691 5.362 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.492 -10.057 5.656 1.00 0.00 H new ATOM 0 HB ILE A 44 -6.228 -10.816 4.223 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -5.135 -13.623 4.182 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -6.328 -13.128 5.366 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.950 -11.616 2.253 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.085 -10.325 3.121 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.585 -12.021 3.320 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -7.401 -14.144 3.412 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -7.855 -12.429 3.555 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -6.643 -12.932 2.353 1.00 0.00 H new ATOM 160 N ASN A 45 -5.141 -12.587 7.490 1.00 0.00 N ATOM 161 CA ASN A 45 -5.845 -13.024 8.682 1.00 0.00 C ATOM 162 C ASN A 45 -5.283 -12.247 9.865 1.00 0.00 C ATOM 163 O ASN A 45 -5.792 -12.312 10.982 1.00 0.00 O ATOM 164 CB ASN A 45 -5.629 -14.518 8.933 1.00 0.00 C ATOM 165 CG ASN A 45 -5.403 -15.326 7.672 1.00 0.00 C ATOM 166 OD1 ASN A 45 -4.158 -15.384 7.243 1.00 0.00 O flip ATOM 167 ND2 ASN A 45 -6.326 -15.884 7.091 1.00 0.00 N flip ATOM 0 H ASN A 45 -4.324 -13.149 7.251 1.00 0.00 H new ATOM 0 HA ASN A 45 -6.913 -12.847 8.553 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.771 -14.645 9.593 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -6.497 -14.917 9.458 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -7.276 -15.814 7.457 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -6.145 -16.419 6.241 1.00 0.00 H new ATOM 174 N GLU A 46 -4.214 -11.505 9.582 1.00 0.00 N ATOM 175 CA GLU A 46 -3.485 -10.746 10.575 1.00 0.00 C ATOM 176 C GLU A 46 -3.528 -9.256 10.210 1.00 0.00 C ATOM 177 O GLU A 46 -3.998 -8.904 9.128 1.00 0.00 O ATOM 178 CB GLU A 46 -2.044 -11.264 10.659 1.00 0.00 C ATOM 179 CG GLU A 46 -1.913 -12.612 11.346 1.00 0.00 C ATOM 180 CD GLU A 46 -2.368 -12.571 12.790 1.00 0.00 C ATOM 181 OE1 GLU A 46 -1.907 -11.684 13.540 1.00 0.00 O ATOM 182 OE2 GLU A 46 -3.195 -13.420 13.181 1.00 0.00 O ATOM 0 H GLU A 46 -3.831 -11.418 8.641 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.945 -10.868 11.556 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.636 -11.340 9.651 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.437 -10.534 11.194 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -2.501 -13.352 10.803 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.874 -12.938 11.305 1.00 0.00 H new ATOM 189 N PRO A 47 -3.023 -8.374 11.086 1.00 0.00 N ATOM 190 CA PRO A 47 -3.183 -6.912 10.960 1.00 0.00 C ATOM 191 C PRO A 47 -2.765 -6.358 9.599 1.00 0.00 C ATOM 192 O PRO A 47 -1.683 -6.652 9.110 1.00 0.00 O ATOM 193 CB PRO A 47 -2.249 -6.370 12.051 1.00 0.00 C ATOM 194 CG PRO A 47 -1.346 -7.507 12.372 1.00 0.00 C ATOM 195 CD PRO A 47 -2.208 -8.712 12.255 1.00 0.00 C ATOM 0 HA PRO A 47 -4.229 -6.622 11.060 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -1.687 -5.505 11.698 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -2.810 -6.049 12.929 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -0.504 -7.553 11.681 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.930 -7.412 13.375 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -1.625 -9.620 12.100 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.815 -8.871 13.146 1.00 0.00 H new ATOM 203 N ILE A 48 -3.622 -5.543 8.995 1.00 0.00 N ATOM 204 CA ILE A 48 -3.289 -4.916 7.720 1.00 0.00 C ATOM 205 C ILE A 48 -2.401 -3.702 7.952 1.00 0.00 C ATOM 206 O ILE A 48 -1.771 -3.185 7.034 1.00 0.00 O ATOM 207 CB ILE A 48 -4.553 -4.491 6.928 1.00 0.00 C ATOM 208 CG1 ILE A 48 -5.081 -3.131 7.379 1.00 0.00 C ATOM 209 CG2 ILE A 48 -5.639 -5.529 7.070 1.00 0.00 C ATOM 210 CD1 ILE A 48 -4.697 -2.014 6.445 1.00 0.00 C ATOM 0 H ILE A 48 -4.543 -5.302 9.362 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.758 -5.658 7.124 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.262 -4.408 5.881 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -6.167 -3.176 7.456 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.700 -2.911 8.376 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -6.518 -5.215 6.508 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -5.283 -6.484 6.683 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.901 -5.640 8.122 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.101 -1.073 6.818 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.611 -1.945 6.387 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -5.101 -2.214 5.453 1.00 0.00 H new ATOM 222 N GLY A 49 -2.349 -3.256 9.197 1.00 0.00 N ATOM 223 CA GLY A 49 -1.586 -2.073 9.515 1.00 0.00 C ATOM 224 C GLY A 49 -0.112 -2.354 9.614 1.00 0.00 C ATOM 225 O GLY A 49 0.678 -1.449 9.892 1.00 0.00 O ATOM 0 H GLY A 49 -2.821 -3.692 9.989 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.759 -1.316 8.750 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -1.939 -1.659 10.459 1.00 0.00 H new ATOM 229 N ASN A 50 0.278 -3.597 9.357 1.00 0.00 N ATOM 230 CA ASN A 50 1.678 -3.964 9.410 1.00 0.00 C ATOM 231 C ASN A 50 2.418 -3.401 8.198 1.00 0.00 C ATOM 232 O ASN A 50 3.630 -3.544 8.078 1.00 0.00 O ATOM 233 CB ASN A 50 1.855 -5.494 9.507 1.00 0.00 C ATOM 234 CG ASN A 50 1.304 -6.270 8.317 1.00 0.00 C ATOM 235 OD1 ASN A 50 1.293 -5.788 7.188 1.00 0.00 O ATOM 236 ND2 ASN A 50 0.845 -7.489 8.566 1.00 0.00 N ATOM 0 H ASN A 50 -0.354 -4.359 9.112 1.00 0.00 H new ATOM 0 HA ASN A 50 2.110 -3.530 10.312 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.917 -5.718 9.611 1.00 0.00 H new ATOM 0 HB3 ASN A 50 1.364 -5.847 10.414 1.00 0.00 H new ATOM 0 HD21 ASN A 50 0.468 -8.057 7.807 1.00 0.00 H new ATOM 0 HD22 ASN A 50 0.869 -7.859 9.516 1.00 0.00 H new ATOM 243 N LEU A 51 1.676 -2.744 7.310 1.00 0.00 N ATOM 244 CA LEU A 51 2.260 -2.077 6.151 1.00 0.00 C ATOM 245 C LEU A 51 3.228 -0.975 6.580 1.00 0.00 C ATOM 246 O LEU A 51 4.136 -0.611 5.839 1.00 0.00 O ATOM 247 CB LEU A 51 1.162 -1.495 5.255 1.00 0.00 C ATOM 248 CG LEU A 51 0.640 -2.434 4.156 1.00 0.00 C ATOM 249 CD1 LEU A 51 0.198 -3.763 4.737 1.00 0.00 C ATOM 250 CD2 LEU A 51 -0.514 -1.787 3.411 1.00 0.00 C ATOM 0 H LEU A 51 0.661 -2.660 7.373 1.00 0.00 H new ATOM 0 HA LEU A 51 2.819 -2.822 5.584 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.323 -1.198 5.884 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.543 -0.589 4.784 1.00 0.00 H new ATOM 0 HG LEU A 51 1.457 -2.618 3.459 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.166 -4.407 3.937 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.042 -4.242 5.232 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.600 -3.596 5.460 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.872 -2.465 2.636 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.324 -1.573 4.109 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.176 -0.858 2.952 1.00 0.00 H new ATOM 262 N LYS A 52 3.053 -0.471 7.794 1.00 0.00 N ATOM 263 CA LYS A 52 3.967 0.523 8.334 1.00 0.00 C ATOM 264 C LYS A 52 5.280 -0.152 8.725 1.00 0.00 C ATOM 265 O LYS A 52 6.328 0.480 8.767 1.00 0.00 O ATOM 266 CB LYS A 52 3.364 1.235 9.554 1.00 0.00 C ATOM 267 CG LYS A 52 2.295 2.286 9.242 1.00 0.00 C ATOM 268 CD LYS A 52 1.930 3.051 10.509 1.00 0.00 C ATOM 269 CE LYS A 52 1.174 4.340 10.217 1.00 0.00 C ATOM 270 NZ LYS A 52 -0.236 4.110 9.805 1.00 0.00 N ATOM 0 H LYS A 52 2.291 -0.733 8.419 1.00 0.00 H new ATOM 0 HA LYS A 52 4.150 1.273 7.565 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.929 0.484 10.213 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.171 1.716 10.108 1.00 0.00 H new ATOM 0 HG2 LYS A 52 2.663 2.977 8.484 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.408 1.804 8.830 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.321 2.414 11.151 1.00 0.00 H new ATOM 0 HD3 LYS A 52 2.839 3.285 11.063 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.188 4.971 11.105 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.692 4.887 9.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.342 4.327 8.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.489 3.116 9.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.864 4.727 10.359 1.00 0.00 H new ATOM 284 N LYS A 53 5.209 -1.441 9.023 1.00 0.00 N ATOM 285 CA LYS A 53 6.388 -2.205 9.406 1.00 0.00 C ATOM 286 C LYS A 53 7.059 -2.843 8.195 1.00 0.00 C ATOM 287 O LYS A 53 8.281 -2.822 8.066 1.00 0.00 O ATOM 288 CB LYS A 53 6.011 -3.278 10.427 1.00 0.00 C ATOM 289 CG LYS A 53 5.432 -2.703 11.706 1.00 0.00 C ATOM 290 CD LYS A 53 5.148 -3.782 12.737 1.00 0.00 C ATOM 291 CE LYS A 53 4.499 -3.197 13.981 1.00 0.00 C ATOM 292 NZ LYS A 53 4.322 -4.216 15.046 1.00 0.00 N ATOM 0 H LYS A 53 4.344 -1.982 9.007 1.00 0.00 H new ATOM 0 HA LYS A 53 7.101 -1.515 9.857 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.286 -3.958 9.980 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.895 -3.868 10.668 1.00 0.00 H new ATOM 0 HG2 LYS A 53 6.128 -1.976 12.124 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.510 -2.168 11.478 1.00 0.00 H new ATOM 0 HD2 LYS A 53 4.494 -4.539 12.304 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.077 -4.282 13.009 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.112 -2.379 14.360 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.529 -2.774 13.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.876 -3.776 15.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 3.716 -4.984 14.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.250 -4.602 15.315 1.00 0.00 H new ATOM 306 N LEU A 54 6.255 -3.407 7.303 1.00 0.00 N ATOM 307 CA LEU A 54 6.778 -4.169 6.175 1.00 0.00 C ATOM 308 C LEU A 54 7.291 -3.261 5.063 1.00 0.00 C ATOM 309 O LEU A 54 8.211 -3.620 4.331 1.00 0.00 O ATOM 310 CB LEU A 54 5.712 -5.118 5.615 1.00 0.00 C ATOM 311 CG LEU A 54 5.570 -6.473 6.327 1.00 0.00 C ATOM 312 CD1 LEU A 54 5.106 -6.308 7.762 1.00 0.00 C ATOM 313 CD2 LEU A 54 4.600 -7.362 5.574 1.00 0.00 C ATOM 0 H LEU A 54 5.237 -3.351 7.338 1.00 0.00 H new ATOM 0 HA LEU A 54 7.618 -4.753 6.551 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.748 -4.610 5.650 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.937 -5.304 4.565 1.00 0.00 H new ATOM 0 HG LEU A 54 6.555 -6.939 6.343 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.018 -7.288 8.231 1.00 0.00 H new ATOM 0 HD12 LEU A 54 5.830 -5.707 8.312 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.136 -5.811 7.776 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.508 -8.318 6.089 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.624 -6.879 5.529 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.969 -7.528 4.562 1.00 0.00 H new ATOM 325 N LEU A 55 6.695 -2.086 4.930 1.00 0.00 N ATOM 326 CA LEU A 55 7.098 -1.158 3.880 1.00 0.00 C ATOM 327 C LEU A 55 8.148 -0.178 4.389 1.00 0.00 C ATOM 328 O LEU A 55 8.636 0.671 3.638 1.00 0.00 O ATOM 329 CB LEU A 55 5.885 -0.426 3.300 1.00 0.00 C ATOM 330 CG LEU A 55 5.007 -1.280 2.373 1.00 0.00 C ATOM 331 CD1 LEU A 55 5.876 -2.023 1.380 1.00 0.00 C ATOM 332 CD2 LEU A 55 4.150 -2.265 3.152 1.00 0.00 C ATOM 0 H LEU A 55 5.939 -1.753 5.528 1.00 0.00 H new ATOM 0 HA LEU A 55 7.551 -1.736 3.075 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.272 -0.058 4.122 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.234 0.446 2.747 1.00 0.00 H new ATOM 0 HG LEU A 55 4.335 -0.607 1.841 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.247 -2.627 0.726 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.439 -1.307 0.782 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.569 -2.671 1.916 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.545 -2.849 2.458 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.793 -2.934 3.724 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.497 -1.720 3.833 1.00 0.00 H new ATOM 344 N GLU A 56 8.492 -0.312 5.667 1.00 0.00 N ATOM 345 CA GLU A 56 9.601 0.431 6.268 1.00 0.00 C ATOM 346 C GLU A 56 10.879 0.298 5.419 1.00 0.00 C ATOM 347 O GLU A 56 11.449 1.307 5.003 1.00 0.00 O ATOM 348 CB GLU A 56 9.840 -0.068 7.702 1.00 0.00 C ATOM 349 CG GLU A 56 11.030 0.562 8.413 1.00 0.00 C ATOM 350 CD GLU A 56 10.778 1.991 8.848 1.00 0.00 C ATOM 351 OE1 GLU A 56 9.886 2.212 9.695 1.00 0.00 O ATOM 352 OE2 GLU A 56 11.490 2.895 8.372 1.00 0.00 O ATOM 0 H GLU A 56 8.013 -0.936 6.316 1.00 0.00 H new ATOM 0 HA GLU A 56 9.339 1.488 6.301 1.00 0.00 H new ATOM 0 HB2 GLU A 56 8.942 0.121 8.291 1.00 0.00 H new ATOM 0 HB3 GLU A 56 9.982 -1.148 7.676 1.00 0.00 H new ATOM 0 HG2 GLU A 56 11.282 -0.038 9.288 1.00 0.00 H new ATOM 0 HG3 GLU A 56 11.895 0.538 7.750 1.00 0.00 H new ATOM 359 N PRO A 57 11.345 -0.942 5.132 1.00 0.00 N ATOM 360 CA PRO A 57 12.525 -1.152 4.285 1.00 0.00 C ATOM 361 C PRO A 57 12.258 -0.802 2.827 1.00 0.00 C ATOM 362 O PRO A 57 13.071 -0.156 2.168 1.00 0.00 O ATOM 363 CB PRO A 57 12.802 -2.652 4.411 1.00 0.00 C ATOM 364 CG PRO A 57 11.499 -3.257 4.797 1.00 0.00 C ATOM 365 CD PRO A 57 10.781 -2.223 5.610 1.00 0.00 C ATOM 0 HA PRO A 57 13.357 -0.519 4.595 1.00 0.00 H new ATOM 0 HB2 PRO A 57 13.165 -3.066 3.470 1.00 0.00 H new ATOM 0 HB3 PRO A 57 13.566 -2.850 5.163 1.00 0.00 H new ATOM 0 HG2 PRO A 57 10.920 -3.529 3.915 1.00 0.00 H new ATOM 0 HG3 PRO A 57 11.649 -4.170 5.374 1.00 0.00 H new ATOM 0 HD2 PRO A 57 9.703 -2.269 5.453 1.00 0.00 H new ATOM 0 HD3 PRO A 57 10.954 -2.363 6.677 1.00 0.00 H new ATOM 373 N ARG A 58 11.093 -1.216 2.350 1.00 0.00 N ATOM 374 CA ARG A 58 10.732 -1.101 0.943 1.00 0.00 C ATOM 375 C ARG A 58 10.737 0.340 0.455 1.00 0.00 C ATOM 376 O ARG A 58 11.259 0.638 -0.614 1.00 0.00 O ATOM 377 CB ARG A 58 9.346 -1.700 0.729 1.00 0.00 C ATOM 378 CG ARG A 58 9.316 -3.219 0.768 1.00 0.00 C ATOM 379 CD ARG A 58 10.094 -3.830 -0.386 1.00 0.00 C ATOM 380 NE ARG A 58 9.915 -5.279 -0.449 1.00 0.00 N ATOM 381 CZ ARG A 58 9.469 -5.927 -1.525 1.00 0.00 C ATOM 382 NH1 ARG A 58 9.232 -5.264 -2.652 1.00 0.00 N ATOM 383 NH2 ARG A 58 9.285 -7.238 -1.480 1.00 0.00 N ATOM 0 H ARG A 58 10.369 -1.642 2.929 1.00 0.00 H new ATOM 0 HA ARG A 58 11.482 -1.643 0.368 1.00 0.00 H new ATOM 0 HB2 ARG A 58 8.673 -1.314 1.494 1.00 0.00 H new ATOM 0 HB3 ARG A 58 8.961 -1.364 -0.234 1.00 0.00 H new ATOM 0 HG2 ARG A 58 9.735 -3.566 1.713 1.00 0.00 H new ATOM 0 HG3 ARG A 58 8.282 -3.563 0.732 1.00 0.00 H new ATOM 0 HD2 ARG A 58 9.767 -3.381 -1.324 1.00 0.00 H new ATOM 0 HD3 ARG A 58 11.153 -3.598 -0.274 1.00 0.00 H new ATOM 0 HE ARG A 58 10.145 -5.827 0.380 1.00 0.00 H new ATOM 0 HH11 ARG A 58 9.391 -4.257 -2.695 1.00 0.00 H new ATOM 0 HH12 ARG A 58 8.891 -5.762 -3.474 1.00 0.00 H new ATOM 0 HH21 ARG A 58 9.485 -7.752 -0.622 1.00 0.00 H new ATOM 0 HH22 ARG A 58 8.944 -7.734 -2.304 1.00 0.00 H new ATOM 397 N LEU A 59 10.168 1.233 1.246 1.00 0.00 N ATOM 398 CA LEU A 59 10.024 2.619 0.828 1.00 0.00 C ATOM 399 C LEU A 59 11.094 3.502 1.446 1.00 0.00 C ATOM 400 O LEU A 59 11.288 4.646 1.025 1.00 0.00 O ATOM 401 CB LEU A 59 8.643 3.146 1.225 1.00 0.00 C ATOM 402 CG LEU A 59 7.454 2.434 0.577 1.00 0.00 C ATOM 403 CD1 LEU A 59 6.150 2.917 1.191 1.00 0.00 C ATOM 404 CD2 LEU A 59 7.452 2.664 -0.927 1.00 0.00 C ATOM 0 H LEU A 59 9.800 1.027 2.175 1.00 0.00 H new ATOM 0 HA LEU A 59 10.136 2.650 -0.256 1.00 0.00 H new ATOM 0 HB2 LEU A 59 8.543 3.071 2.308 1.00 0.00 H new ATOM 0 HB3 LEU A 59 8.591 4.205 0.972 1.00 0.00 H new ATOM 0 HG LEU A 59 7.548 1.364 0.761 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.313 2.402 0.720 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.151 2.705 2.260 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.050 3.991 1.034 1.00 0.00 H new ATOM 0 HD21 LEU A 59 6.600 2.151 -1.372 1.00 0.00 H new ATOM 0 HD22 LEU A 59 7.380 3.732 -1.132 1.00 0.00 H new ATOM 0 HD23 LEU A 59 8.375 2.274 -1.356 1.00 0.00 H new ATOM 416 N GLN A 60 11.784 2.957 2.453 1.00 0.00 N ATOM 417 CA GLN A 60 12.694 3.736 3.296 1.00 0.00 C ATOM 418 C GLN A 60 11.936 4.902 3.912 1.00 0.00 C ATOM 419 O GLN A 60 12.509 5.925 4.277 1.00 0.00 O ATOM 420 CB GLN A 60 13.895 4.244 2.501 1.00 0.00 C ATOM 421 CG GLN A 60 14.763 3.133 1.937 1.00 0.00 C ATOM 422 CD GLN A 60 15.973 3.658 1.185 1.00 0.00 C ATOM 423 OE1 GLN A 60 15.836 4.823 0.568 1.00 0.00 O flip ATOM 424 NE2 GLN A 60 17.020 3.010 1.144 1.00 0.00 N flip ATOM 0 H GLN A 60 11.728 1.970 2.705 1.00 0.00 H new ATOM 0 HA GLN A 60 13.075 3.088 4.085 1.00 0.00 H new ATOM 0 HB2 GLN A 60 13.540 4.868 1.681 1.00 0.00 H new ATOM 0 HB3 GLN A 60 14.504 4.879 3.144 1.00 0.00 H new ATOM 0 HG2 GLN A 60 15.097 2.490 2.751 1.00 0.00 H new ATOM 0 HG3 GLN A 60 14.165 2.515 1.268 1.00 0.00 H new ATOM 0 HE21 GLN A 60 17.086 2.117 1.632 1.00 0.00 H new ATOM 0 HE22 GLN A 60 17.820 3.367 0.622 1.00 0.00 H new ATOM 433 N CYS A 61 10.634 4.711 4.021 1.00 0.00 N ATOM 434 CA CYS A 61 9.735 5.752 4.460 1.00 0.00 C ATOM 435 C CYS A 61 9.628 5.741 5.962 1.00 0.00 C ATOM 436 O CYS A 61 9.859 4.722 6.608 1.00 0.00 O ATOM 437 CB CYS A 61 8.342 5.537 3.877 1.00 0.00 C ATOM 438 SG CYS A 61 7.329 7.032 3.781 1.00 0.00 S ATOM 0 H CYS A 61 10.173 3.827 3.806 1.00 0.00 H new ATOM 0 HA CYS A 61 10.133 6.708 4.118 1.00 0.00 H new ATOM 0 HB2 CYS A 61 8.442 5.116 2.876 1.00 0.00 H new ATOM 0 HB3 CYS A 61 7.819 4.797 4.483 1.00 0.00 H new ATOM 0 HG CYS A 61 6.375 6.855 2.916 1.00 0.00 H new ATOM 444 N SER A 62 9.290 6.877 6.507 1.00 0.00 N ATOM 445 CA SER A 62 8.902 6.948 7.885 1.00 0.00 C ATOM 446 C SER A 62 7.394 6.762 7.970 1.00 0.00 C ATOM 447 O SER A 62 6.628 7.709 7.770 1.00 0.00 O ATOM 448 CB SER A 62 9.327 8.282 8.468 1.00 0.00 C ATOM 449 OG SER A 62 10.716 8.502 8.266 1.00 0.00 O ATOM 0 H SER A 62 9.276 7.769 6.013 1.00 0.00 H new ATOM 0 HA SER A 62 9.390 6.163 8.463 1.00 0.00 H new ATOM 0 HB2 SER A 62 8.756 9.086 8.003 1.00 0.00 H new ATOM 0 HB3 SER A 62 9.102 8.306 9.534 1.00 0.00 H new ATOM 0 HG SER A 62 10.969 9.368 8.648 1.00 0.00 H new ATOM 455 N LEU A 63 6.979 5.530 8.240 1.00 0.00 N ATOM 456 CA LEU A 63 5.567 5.175 8.227 1.00 0.00 C ATOM 457 C LEU A 63 4.900 5.665 9.507 1.00 0.00 C ATOM 458 O LEU A 63 4.845 4.946 10.504 1.00 0.00 O ATOM 459 CB LEU A 63 5.358 3.661 8.070 1.00 0.00 C ATOM 460 CG LEU A 63 5.825 3.014 6.750 1.00 0.00 C ATOM 461 CD1 LEU A 63 5.559 3.897 5.541 1.00 0.00 C ATOM 462 CD2 LEU A 63 7.287 2.638 6.830 1.00 0.00 C ATOM 0 H LEU A 63 7.604 4.758 8.471 1.00 0.00 H new ATOM 0 HA LEU A 63 5.109 5.660 7.365 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.874 3.163 8.891 1.00 0.00 H new ATOM 0 HB3 LEU A 63 4.295 3.453 8.189 1.00 0.00 H new ATOM 0 HG LEU A 63 5.235 2.108 6.613 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.907 3.393 4.639 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.489 4.089 5.459 1.00 0.00 H new ATOM 0 HD13 LEU A 63 6.090 4.842 5.657 1.00 0.00 H new ATOM 0 HD21 LEU A 63 7.598 2.183 5.889 1.00 0.00 H new ATOM 0 HD22 LEU A 63 7.883 3.532 7.015 1.00 0.00 H new ATOM 0 HD23 LEU A 63 7.436 1.928 7.643 1.00 0.00 H new ATOM 474 N ASP A 64 4.391 6.892 9.471 1.00 0.00 N ATOM 475 CA ASP A 64 3.835 7.515 10.663 1.00 0.00 C ATOM 476 C ASP A 64 2.452 8.091 10.386 1.00 0.00 C ATOM 477 O ASP A 64 1.439 7.481 10.733 1.00 0.00 O ATOM 478 CB ASP A 64 4.748 8.633 11.189 1.00 0.00 C ATOM 479 CG ASP A 64 6.177 8.195 11.430 1.00 0.00 C ATOM 480 OD1 ASP A 64 6.433 7.466 12.409 1.00 0.00 O ATOM 481 OD2 ASP A 64 7.064 8.615 10.659 1.00 0.00 O ATOM 0 H ASP A 64 4.353 7.471 8.632 1.00 0.00 H new ATOM 0 HA ASP A 64 3.756 6.735 11.421 1.00 0.00 H new ATOM 0 HB2 ASP A 64 4.746 9.456 10.475 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.334 9.018 12.121 1.00 0.00 H new ATOM 486 N ALA A 65 2.415 9.255 9.743 1.00 0.00 N ATOM 487 CA ALA A 65 1.170 9.988 9.542 1.00 0.00 C ATOM 488 C ALA A 65 0.244 9.289 8.558 1.00 0.00 C ATOM 489 O ALA A 65 -0.976 9.396 8.669 1.00 0.00 O ATOM 490 CB ALA A 65 1.466 11.403 9.074 1.00 0.00 C ATOM 0 H ALA A 65 3.238 9.712 9.351 1.00 0.00 H new ATOM 0 HA ALA A 65 0.654 10.024 10.501 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.529 11.941 8.927 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.066 11.917 9.825 1.00 0.00 H new ATOM 0 HB3 ALA A 65 2.015 11.368 8.133 1.00 0.00 H new ATOM 496 N HIS A 66 0.813 8.556 7.614 1.00 0.00 N ATOM 497 CA HIS A 66 0.005 7.870 6.620 1.00 0.00 C ATOM 498 C HIS A 66 -0.673 6.632 7.169 1.00 0.00 C ATOM 499 O HIS A 66 -0.035 5.633 7.515 1.00 0.00 O ATOM 500 CB HIS A 66 0.761 7.569 5.312 1.00 0.00 C ATOM 501 CG HIS A 66 2.245 7.378 5.397 1.00 0.00 C ATOM 502 ND1 HIS A 66 2.905 7.145 6.577 1.00 0.00 N ATOM 503 CD2 HIS A 66 3.150 7.447 4.392 1.00 0.00 C ATOM 504 CE1 HIS A 66 4.183 7.089 6.260 1.00 0.00 C ATOM 505 NE2 HIS A 66 4.379 7.263 4.952 1.00 0.00 N ATOM 0 H HIS A 66 1.819 8.422 7.516 1.00 0.00 H new ATOM 0 HA HIS A 66 -0.781 8.579 6.361 1.00 0.00 H new ATOM 0 HB2 HIS A 66 0.331 6.668 4.875 1.00 0.00 H new ATOM 0 HB3 HIS A 66 0.567 8.385 4.616 1.00 0.00 H new ATOM 0 HD2 HIS A 66 2.938 7.616 3.346 1.00 0.00 H new ATOM 0 HE1 HIS A 66 4.976 6.922 6.974 1.00 0.00 H new ATOM 0 HE2 HIS A 66 5.275 7.259 4.465 1.00 0.00 H new ATOM 513 N GLU A 67 -1.993 6.730 7.247 1.00 0.00 N ATOM 514 CA GLU A 67 -2.839 5.646 7.716 1.00 0.00 C ATOM 515 C GLU A 67 -2.923 4.570 6.641 1.00 0.00 C ATOM 516 O GLU A 67 -2.575 4.815 5.490 1.00 0.00 O ATOM 517 CB GLU A 67 -4.235 6.190 8.058 1.00 0.00 C ATOM 518 CG GLU A 67 -4.901 6.946 6.916 1.00 0.00 C ATOM 519 CD GLU A 67 -6.199 7.611 7.329 1.00 0.00 C ATOM 520 OE1 GLU A 67 -6.146 8.644 8.031 1.00 0.00 O ATOM 521 OE2 GLU A 67 -7.281 7.109 6.956 1.00 0.00 O ATOM 0 H GLU A 67 -2.508 7.570 6.984 1.00 0.00 H new ATOM 0 HA GLU A 67 -2.413 5.206 8.617 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -4.876 5.359 8.352 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.155 6.852 8.920 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.214 7.704 6.539 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.097 6.256 6.095 1.00 0.00 H new ATOM 528 N ILE A 68 -3.375 3.383 7.003 1.00 0.00 N ATOM 529 CA ILE A 68 -3.422 2.290 6.047 1.00 0.00 C ATOM 530 C ILE A 68 -4.803 2.244 5.411 1.00 0.00 C ATOM 531 O ILE A 68 -5.808 2.490 6.081 1.00 0.00 O ATOM 532 CB ILE A 68 -3.093 0.923 6.680 1.00 0.00 C ATOM 533 CG1 ILE A 68 -2.268 1.082 7.966 1.00 0.00 C ATOM 534 CG2 ILE A 68 -2.322 0.082 5.673 1.00 0.00 C ATOM 535 CD1 ILE A 68 -0.830 1.497 7.738 1.00 0.00 C ATOM 0 H ILE A 68 -3.711 3.152 7.938 1.00 0.00 H new ATOM 0 HA ILE A 68 -2.656 2.480 5.295 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.028 0.430 6.945 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -2.751 1.823 8.604 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.279 0.137 8.510 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.085 -0.887 6.113 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -2.930 -0.064 4.780 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.398 0.593 5.404 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.320 1.586 8.697 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -0.327 0.746 7.128 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -0.806 2.458 7.224 1.00 0.00 H new ATOM 547 N CYS A 69 -4.861 1.936 4.127 1.00 0.00 N ATOM 548 CA CYS A 69 -6.067 2.130 3.361 1.00 0.00 C ATOM 549 C CYS A 69 -6.145 1.147 2.215 1.00 0.00 C ATOM 550 O CYS A 69 -5.195 0.414 1.944 1.00 0.00 O ATOM 551 CB CYS A 69 -6.099 3.557 2.827 1.00 0.00 C ATOM 552 SG CYS A 69 -6.388 4.793 4.109 1.00 0.00 S ATOM 0 H CYS A 69 -4.080 1.549 3.597 1.00 0.00 H new ATOM 0 HA CYS A 69 -6.926 1.960 4.010 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -5.153 3.773 2.331 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -6.881 3.637 2.072 1.00 0.00 H new ATOM 0 HG CYS A 69 -6.371 4.220 5.276 1.00 0.00 H new ATOM 558 N LEU A 70 -7.290 1.110 1.562 1.00 0.00 N ATOM 559 CA LEU A 70 -7.487 0.244 0.432 1.00 0.00 C ATOM 560 C LEU A 70 -8.308 0.956 -0.622 1.00 0.00 C ATOM 561 O LEU A 70 -9.475 1.248 -0.400 1.00 0.00 O ATOM 562 CB LEU A 70 -8.198 -1.018 0.887 1.00 0.00 C ATOM 563 CG LEU A 70 -7.916 -2.237 0.038 1.00 0.00 C ATOM 564 CD1 LEU A 70 -7.938 -3.474 0.902 1.00 0.00 C ATOM 565 CD2 LEU A 70 -8.927 -2.361 -1.089 1.00 0.00 C ATOM 0 H LEU A 70 -8.102 1.679 1.803 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.522 -0.023 0.001 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.908 -1.232 1.916 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -9.272 -0.834 0.890 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.928 -2.128 -0.409 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.734 -4.351 0.287 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.177 -3.390 1.677 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -8.919 -3.576 1.366 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -8.701 -3.246 -1.684 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -9.929 -2.451 -0.670 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -8.877 -1.475 -1.722 1.00 0.00 H new ATOM 577 N GLN A 71 -7.684 1.255 -1.755 1.00 0.00 N ATOM 578 CA GLN A 71 -8.348 1.962 -2.844 1.00 0.00 C ATOM 579 C GLN A 71 -8.968 3.258 -2.339 1.00 0.00 C ATOM 580 O GLN A 71 -10.077 3.634 -2.728 1.00 0.00 O ATOM 581 CB GLN A 71 -9.389 1.054 -3.499 1.00 0.00 C ATOM 582 CG GLN A 71 -8.762 -0.150 -4.179 1.00 0.00 C ATOM 583 CD GLN A 71 -9.733 -1.289 -4.378 1.00 0.00 C ATOM 584 OE1 GLN A 71 -10.933 -1.077 -4.548 1.00 0.00 O ATOM 585 NE2 GLN A 71 -9.215 -2.505 -4.343 1.00 0.00 N ATOM 0 H GLN A 71 -6.711 1.016 -1.944 1.00 0.00 H new ATOM 0 HA GLN A 71 -7.611 2.227 -3.601 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -10.097 0.713 -2.743 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -9.957 1.627 -4.232 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -8.364 0.153 -5.147 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -7.919 -0.499 -3.582 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -8.213 -2.628 -4.199 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -9.818 -3.320 -4.460 1.00 0.00 H new ATOM 594 N ASP A 72 -8.239 3.890 -1.414 1.00 0.00 N ATOM 595 CA ASP A 72 -8.567 5.218 -0.877 1.00 0.00 C ATOM 596 C ASP A 72 -9.541 5.112 0.298 1.00 0.00 C ATOM 597 O ASP A 72 -9.637 6.036 1.107 1.00 0.00 O ATOM 598 CB ASP A 72 -9.074 6.179 -1.974 1.00 0.00 C ATOM 599 CG ASP A 72 -9.641 7.473 -1.424 1.00 0.00 C ATOM 600 OD1 ASP A 72 -8.857 8.414 -1.181 1.00 0.00 O ATOM 601 OD2 ASP A 72 -10.874 7.556 -1.244 1.00 0.00 O ATOM 0 H ASP A 72 -7.392 3.489 -1.010 1.00 0.00 H new ATOM 0 HA ASP A 72 -7.644 5.654 -0.494 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.253 6.410 -2.653 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -9.841 5.675 -2.562 1.00 0.00 H new ATOM 606 N ILE A 73 -10.223 3.968 0.425 1.00 0.00 N ATOM 607 CA ILE A 73 -10.987 3.669 1.628 1.00 0.00 C ATOM 608 C ILE A 73 -9.984 3.442 2.733 1.00 0.00 C ATOM 609 O ILE A 73 -8.888 2.972 2.466 1.00 0.00 O ATOM 610 CB ILE A 73 -11.821 2.373 1.518 1.00 0.00 C ATOM 611 CG1 ILE A 73 -12.307 2.116 0.096 1.00 0.00 C ATOM 612 CG2 ILE A 73 -13.007 2.425 2.472 1.00 0.00 C ATOM 613 CD1 ILE A 73 -12.576 0.646 -0.151 1.00 0.00 C ATOM 0 H ILE A 73 -10.258 3.241 -0.290 1.00 0.00 H new ATOM 0 HA ILE A 73 -11.673 4.498 1.803 1.00 0.00 H new ATOM 0 HB ILE A 73 -11.166 1.546 1.794 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -13.217 2.687 -0.086 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -11.560 2.473 -0.613 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -13.586 1.505 2.384 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -12.646 2.530 3.495 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -13.639 3.277 2.221 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -12.920 0.506 -1.176 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -11.659 0.077 0.004 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -13.342 0.295 0.540 1.00 0.00 H new ATOM 625 N GLN A 74 -10.334 3.744 3.953 1.00 0.00 N ATOM 626 CA GLN A 74 -9.388 3.608 5.038 1.00 0.00 C ATOM 627 C GLN A 74 -9.636 2.319 5.819 1.00 0.00 C ATOM 628 O GLN A 74 -10.774 1.875 5.973 1.00 0.00 O ATOM 629 CB GLN A 74 -9.415 4.847 5.942 1.00 0.00 C ATOM 630 CG GLN A 74 -10.711 5.650 5.875 1.00 0.00 C ATOM 631 CD GLN A 74 -10.880 6.488 4.608 1.00 0.00 C ATOM 632 OE1 GLN A 74 -9.790 6.920 3.985 1.00 0.00 O flip ATOM 633 NE2 GLN A 74 -12.005 6.735 4.177 1.00 0.00 N flip ATOM 0 H GLN A 74 -11.257 4.083 4.224 1.00 0.00 H new ATOM 0 HA GLN A 74 -8.385 3.538 4.617 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -9.250 4.533 6.973 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -8.584 5.498 5.670 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -11.553 4.962 5.954 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -10.758 6.311 6.740 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -12.828 6.392 4.673 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -12.115 7.283 3.324 1.00 0.00 H new ATOM 642 N LEU A 75 -8.552 1.730 6.297 1.00 0.00 N ATOM 643 CA LEU A 75 -8.586 0.427 6.953 1.00 0.00 C ATOM 644 C LEU A 75 -8.139 0.571 8.399 1.00 0.00 C ATOM 645 O LEU A 75 -7.694 1.647 8.806 1.00 0.00 O ATOM 646 CB LEU A 75 -7.669 -0.547 6.203 1.00 0.00 C ATOM 647 CG LEU A 75 -8.154 -0.973 4.811 1.00 0.00 C ATOM 648 CD1 LEU A 75 -7.013 -1.511 3.964 1.00 0.00 C ATOM 649 CD2 LEU A 75 -9.225 -2.033 4.936 1.00 0.00 C ATOM 0 H LEU A 75 -7.620 2.141 6.242 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.603 0.035 6.939 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.686 -0.087 6.101 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -7.541 -1.441 6.813 1.00 0.00 H new ATOM 0 HG LEU A 75 -8.562 -0.090 4.320 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -7.393 -1.803 2.985 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -6.254 -0.738 3.843 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.572 -2.378 4.456 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -9.562 -2.328 3.942 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -8.819 -2.902 5.454 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -10.067 -1.634 5.501 1.00 0.00 H new ATOM 661 N ASP A 76 -8.233 -0.504 9.172 1.00 0.00 N ATOM 662 CA ASP A 76 -7.890 -0.451 10.572 1.00 0.00 C ATOM 663 C ASP A 76 -6.719 -1.388 10.833 1.00 0.00 C ATOM 664 O ASP A 76 -6.865 -2.606 10.784 1.00 0.00 O ATOM 665 CB ASP A 76 -9.098 -0.828 11.432 1.00 0.00 C ATOM 666 CG ASP A 76 -8.836 -0.641 12.910 1.00 0.00 C ATOM 667 OD1 ASP A 76 -8.798 0.519 13.376 1.00 0.00 O ATOM 668 OD2 ASP A 76 -8.680 -1.648 13.619 1.00 0.00 O ATOM 0 H ASP A 76 -8.545 -1.419 8.845 1.00 0.00 H new ATOM 0 HA ASP A 76 -7.598 0.565 10.840 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -9.954 -0.220 11.138 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -9.365 -1.868 11.242 1.00 0.00 H new ATOM 673 N PRO A 77 -5.529 -0.803 11.033 1.00 0.00 N ATOM 674 CA PRO A 77 -4.274 -1.524 11.327 1.00 0.00 C ATOM 675 C PRO A 77 -4.421 -2.602 12.397 1.00 0.00 C ATOM 676 O PRO A 77 -3.666 -3.574 12.421 1.00 0.00 O ATOM 677 CB PRO A 77 -3.358 -0.407 11.827 1.00 0.00 C ATOM 678 CG PRO A 77 -3.826 0.802 11.100 1.00 0.00 C ATOM 679 CD PRO A 77 -5.314 0.647 10.947 1.00 0.00 C ATOM 0 HA PRO A 77 -3.909 -2.064 10.453 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.439 -0.279 12.906 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.312 -0.622 11.609 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -3.584 1.708 11.655 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -3.341 0.884 10.127 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -5.854 1.178 11.731 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -5.661 1.047 9.994 1.00 0.00 H new ATOM 687 N ASP A 78 -5.396 -2.419 13.269 1.00 0.00 N ATOM 688 CA ASP A 78 -5.663 -3.350 14.357 1.00 0.00 C ATOM 689 C ASP A 78 -6.353 -4.609 13.851 1.00 0.00 C ATOM 690 O ASP A 78 -6.390 -5.631 14.539 1.00 0.00 O ATOM 691 CB ASP A 78 -6.550 -2.670 15.393 1.00 0.00 C ATOM 692 CG ASP A 78 -5.810 -1.637 16.218 1.00 0.00 C ATOM 693 OD1 ASP A 78 -5.579 -0.514 15.722 1.00 0.00 O ATOM 694 OD2 ASP A 78 -5.464 -1.942 17.382 1.00 0.00 O ATOM 0 H ASP A 78 -6.028 -1.619 13.245 1.00 0.00 H new ATOM 0 HA ASP A 78 -4.711 -3.638 14.803 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -7.388 -2.191 14.887 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -6.969 -3.426 16.057 1.00 0.00 H new ATOM 699 N ARG A 79 -6.889 -4.535 12.643 1.00 0.00 N ATOM 700 CA ARG A 79 -7.688 -5.609 12.084 1.00 0.00 C ATOM 701 C ARG A 79 -7.081 -6.105 10.776 1.00 0.00 C ATOM 702 O ARG A 79 -6.241 -5.430 10.177 1.00 0.00 O ATOM 703 CB ARG A 79 -9.113 -5.111 11.860 1.00 0.00 C ATOM 704 CG ARG A 79 -9.850 -4.803 13.152 1.00 0.00 C ATOM 705 CD ARG A 79 -11.281 -4.378 12.889 1.00 0.00 C ATOM 706 NE ARG A 79 -12.055 -4.283 14.124 1.00 0.00 N ATOM 707 CZ ARG A 79 -13.025 -5.132 14.462 1.00 0.00 C ATOM 708 NH1 ARG A 79 -13.322 -6.159 13.665 1.00 0.00 N ATOM 709 NH2 ARG A 79 -13.688 -4.965 15.602 1.00 0.00 N ATOM 0 H ARG A 79 -6.782 -3.730 12.026 1.00 0.00 H new ATOM 0 HA ARG A 79 -7.705 -6.446 12.783 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -9.084 -4.213 11.243 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -9.670 -5.863 11.302 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -9.843 -5.684 13.794 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -9.328 -4.012 13.690 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -11.286 -3.413 12.382 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -11.755 -5.094 12.217 1.00 0.00 H new ATOM 0 HE ARG A 79 -11.840 -3.521 14.767 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -12.806 -6.295 12.795 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -14.065 -6.808 13.925 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -13.454 -4.187 16.219 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -14.430 -5.615 15.860 1.00 0.00 H new ATOM 723 N SER A 80 -7.493 -7.290 10.345 1.00 0.00 N ATOM 724 CA SER A 80 -6.930 -7.925 9.161 1.00 0.00 C ATOM 725 C SER A 80 -7.782 -7.708 7.907 1.00 0.00 C ATOM 726 O SER A 80 -8.816 -7.063 7.971 1.00 0.00 O ATOM 727 CB SER A 80 -6.816 -9.416 9.439 1.00 0.00 C ATOM 728 OG SER A 80 -8.083 -9.991 9.714 1.00 0.00 O ATOM 0 H SER A 80 -8.223 -7.836 10.803 1.00 0.00 H new ATOM 0 HA SER A 80 -5.958 -7.474 8.963 1.00 0.00 H new ATOM 0 HB2 SER A 80 -6.368 -9.914 8.579 1.00 0.00 H new ATOM 0 HB3 SER A 80 -6.149 -9.580 10.286 1.00 0.00 H new ATOM 0 HG SER A 80 -8.341 -9.788 10.637 1.00 0.00 H new ATOM 734 N LEU A 81 -7.322 -8.223 6.758 1.00 0.00 N ATOM 735 CA LEU A 81 -8.162 -8.282 5.552 1.00 0.00 C ATOM 736 C LEU A 81 -9.404 -9.126 5.822 1.00 0.00 C ATOM 737 O LEU A 81 -10.491 -8.826 5.331 1.00 0.00 O ATOM 738 CB LEU A 81 -7.404 -8.851 4.341 1.00 0.00 C ATOM 739 CG LEU A 81 -6.666 -7.842 3.447 1.00 0.00 C ATOM 740 CD1 LEU A 81 -5.507 -7.185 4.172 1.00 0.00 C ATOM 741 CD2 LEU A 81 -6.172 -8.521 2.176 1.00 0.00 C ATOM 0 H LEU A 81 -6.382 -8.601 6.638 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.451 -7.259 5.310 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.677 -9.576 4.706 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.115 -9.397 3.721 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.377 -7.059 3.183 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.013 -6.479 3.504 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.880 -6.655 5.049 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.794 -7.948 4.485 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.652 -7.793 1.553 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.489 -9.329 2.437 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -7.021 -8.927 1.627 1.00 0.00 H new ATOM 753 N PHE A 82 -9.238 -10.177 6.615 1.00 0.00 N ATOM 754 CA PHE A 82 -10.375 -10.952 7.100 1.00 0.00 C ATOM 755 C PHE A 82 -11.305 -10.115 7.977 1.00 0.00 C ATOM 756 O PHE A 82 -12.447 -10.490 8.236 1.00 0.00 O ATOM 757 CB PHE A 82 -9.931 -12.215 7.847 1.00 0.00 C ATOM 758 CG PHE A 82 -9.817 -13.424 6.980 1.00 0.00 C ATOM 759 CD1 PHE A 82 -10.920 -14.243 6.799 1.00 0.00 C ATOM 760 CD2 PHE A 82 -8.639 -13.752 6.364 1.00 0.00 C ATOM 761 CE1 PHE A 82 -10.841 -15.371 6.011 1.00 0.00 C ATOM 762 CE2 PHE A 82 -8.550 -14.884 5.573 1.00 0.00 C ATOM 763 CZ PHE A 82 -9.652 -15.694 5.397 1.00 0.00 C ATOM 0 H PHE A 82 -8.330 -10.512 6.936 1.00 0.00 H new ATOM 0 HA PHE A 82 -10.933 -11.261 6.216 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -8.966 -12.026 8.318 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -10.642 -12.420 8.647 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -11.854 -13.994 7.282 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -7.772 -13.122 6.497 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -11.709 -15.999 5.876 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -7.616 -15.134 5.093 1.00 0.00 H new ATOM 0 HZ PHE A 82 -9.583 -16.578 4.780 1.00 0.00 H new ATOM 773 N ASP A 83 -10.800 -8.999 8.455 1.00 0.00 N ATOM 774 CA ASP A 83 -11.620 -8.043 9.177 1.00 0.00 C ATOM 775 C ASP A 83 -12.016 -6.878 8.277 1.00 0.00 C ATOM 776 O ASP A 83 -12.924 -6.117 8.601 1.00 0.00 O ATOM 777 CB ASP A 83 -10.873 -7.507 10.390 1.00 0.00 C ATOM 778 CG ASP A 83 -10.610 -8.553 11.447 1.00 0.00 C ATOM 779 OD1 ASP A 83 -11.567 -8.981 12.120 1.00 0.00 O ATOM 780 OD2 ASP A 83 -9.432 -8.933 11.624 1.00 0.00 O ATOM 0 H ASP A 83 -9.822 -8.728 8.358 1.00 0.00 H new ATOM 0 HA ASP A 83 -12.521 -8.561 9.506 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -9.923 -7.085 10.064 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -11.449 -6.693 10.831 1.00 0.00 H new ATOM 785 N GLN A 84 -11.324 -6.741 7.153 1.00 0.00 N ATOM 786 CA GLN A 84 -11.524 -5.613 6.250 1.00 0.00 C ATOM 787 C GLN A 84 -11.405 -6.034 4.790 1.00 0.00 C ATOM 788 O GLN A 84 -10.300 -6.092 4.246 1.00 0.00 O ATOM 789 CB GLN A 84 -10.491 -4.510 6.507 1.00 0.00 C ATOM 790 CG GLN A 84 -10.865 -3.500 7.582 1.00 0.00 C ATOM 791 CD GLN A 84 -10.212 -3.774 8.911 1.00 0.00 C ATOM 792 OE1 GLN A 84 -10.778 -3.477 9.957 1.00 0.00 O ATOM 793 NE2 GLN A 84 -9.003 -4.316 8.882 1.00 0.00 N ATOM 0 H GLN A 84 -10.613 -7.403 6.842 1.00 0.00 H new ATOM 0 HA GLN A 84 -12.530 -5.240 6.444 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -9.547 -4.978 6.786 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -10.318 -3.974 5.574 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -10.584 -2.502 7.246 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -11.947 -3.500 7.710 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -8.569 -4.548 7.988 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -8.506 -4.502 9.753 1.00 0.00 H new ATOM 802 N GLY A 85 -12.522 -6.336 4.155 1.00 0.00 N ATOM 803 CA GLY A 85 -12.507 -6.520 2.720 1.00 0.00 C ATOM 804 C GLY A 85 -12.640 -7.961 2.286 1.00 0.00 C ATOM 805 O GLY A 85 -13.752 -8.434 2.041 1.00 0.00 O ATOM 0 H GLY A 85 -13.432 -6.457 4.600 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -13.320 -5.942 2.281 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -11.577 -6.115 2.321 1.00 0.00 H new ATOM 809 N VAL A 86 -11.524 -8.675 2.201 1.00 0.00 N ATOM 810 CA VAL A 86 -11.518 -9.986 1.568 1.00 0.00 C ATOM 811 C VAL A 86 -11.372 -11.113 2.576 1.00 0.00 C ATOM 812 O VAL A 86 -10.617 -11.016 3.541 1.00 0.00 O ATOM 813 CB VAL A 86 -10.385 -10.125 0.524 1.00 0.00 C ATOM 814 CG1 VAL A 86 -10.505 -9.058 -0.556 1.00 0.00 C ATOM 815 CG2 VAL A 86 -9.009 -10.077 1.178 1.00 0.00 C ATOM 0 H VAL A 86 -10.619 -8.371 2.560 1.00 0.00 H new ATOM 0 HA VAL A 86 -12.485 -10.067 1.071 1.00 0.00 H new ATOM 0 HB VAL A 86 -10.494 -11.103 0.054 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -9.697 -9.178 -1.277 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -11.464 -9.161 -1.065 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -10.441 -8.070 -0.100 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -8.239 -10.178 0.413 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -8.885 -9.125 1.695 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.918 -10.894 1.894 1.00 0.00 H new ATOM 825 N LYS A 87 -12.101 -12.188 2.344 1.00 0.00 N ATOM 826 CA LYS A 87 -11.926 -13.394 3.126 1.00 0.00 C ATOM 827 C LYS A 87 -11.444 -14.495 2.204 1.00 0.00 C ATOM 828 O LYS A 87 -12.197 -15.391 1.838 1.00 0.00 O ATOM 829 CB LYS A 87 -13.240 -13.805 3.798 1.00 0.00 C ATOM 830 CG LYS A 87 -14.025 -12.635 4.359 1.00 0.00 C ATOM 831 CD LYS A 87 -13.294 -11.935 5.492 1.00 0.00 C ATOM 832 CE LYS A 87 -13.629 -10.452 5.503 1.00 0.00 C ATOM 833 NZ LYS A 87 -15.085 -10.208 5.695 1.00 0.00 N ATOM 0 H LYS A 87 -12.818 -12.250 1.622 1.00 0.00 H new ATOM 0 HA LYS A 87 -11.194 -13.214 3.913 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -13.859 -14.334 3.074 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -13.023 -14.506 4.604 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -14.224 -11.919 3.562 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -14.992 -12.989 4.718 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -13.572 -12.384 6.445 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -12.218 -12.070 5.378 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -13.071 -9.961 6.300 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -13.307 -10.001 4.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -15.250 -9.193 5.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -15.604 -10.519 4.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -15.420 -10.742 6.522 1.00 0.00 H new ATOM 847 N THR A 88 -10.187 -14.415 1.813 1.00 0.00 N ATOM 848 CA THR A 88 -9.627 -15.408 0.926 1.00 0.00 C ATOM 849 C THR A 88 -8.713 -16.355 1.698 1.00 0.00 C ATOM 850 O THR A 88 -9.207 -17.317 2.289 1.00 0.00 O ATOM 851 CB THR A 88 -8.929 -14.765 -0.301 1.00 0.00 C ATOM 852 OG1 THR A 88 -8.123 -15.721 -0.987 1.00 0.00 O ATOM 853 CG2 THR A 88 -8.087 -13.554 0.088 1.00 0.00 C ATOM 0 H THR A 88 -9.541 -13.678 2.094 1.00 0.00 H new ATOM 0 HA THR A 88 -10.445 -16.003 0.519 1.00 0.00 H new ATOM 0 HB THR A 88 -9.718 -14.421 -0.969 1.00 0.00 H new ATOM 0 HG1 THR A 88 -8.334 -15.701 -1.944 1.00 0.00 H new ATOM 0 HG21 THR A 88 -7.617 -13.136 -0.802 1.00 0.00 H new ATOM 0 HG22 THR A 88 -8.725 -12.800 0.549 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.316 -13.859 0.796 1.00 0.00 H new ATOM 861 N ASP A 89 -7.411 -16.078 1.743 1.00 0.00 N ATOM 862 CA ASP A 89 -6.503 -16.896 2.535 1.00 0.00 C ATOM 863 C ASP A 89 -5.083 -16.366 2.557 1.00 0.00 C ATOM 864 O ASP A 89 -4.511 -16.015 1.525 1.00 0.00 O ATOM 865 CB ASP A 89 -6.478 -18.335 2.015 1.00 0.00 C ATOM 866 CG ASP A 89 -5.307 -19.135 2.557 1.00 0.00 C ATOM 867 OD1 ASP A 89 -5.315 -19.484 3.758 1.00 0.00 O ATOM 868 OD2 ASP A 89 -4.365 -19.405 1.784 1.00 0.00 O ATOM 0 H ASP A 89 -6.969 -15.304 1.247 1.00 0.00 H new ATOM 0 HA ASP A 89 -6.889 -16.862 3.554 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -7.409 -18.832 2.288 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -6.431 -18.322 0.926 1.00 0.00 H new ATOM 873 N GLY A 90 -4.548 -16.296 3.765 1.00 0.00 N ATOM 874 CA GLY A 90 -3.116 -16.198 3.964 1.00 0.00 C ATOM 875 C GLY A 90 -2.527 -14.876 3.563 1.00 0.00 C ATOM 876 O GLY A 90 -2.851 -13.844 4.141 1.00 0.00 O ATOM 0 H GLY A 90 -5.092 -16.306 4.628 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -2.894 -16.378 5.016 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -2.627 -16.989 3.395 1.00 0.00 H new ATOM 880 N THR A 91 -1.641 -14.920 2.588 1.00 0.00 N ATOM 881 CA THR A 91 -0.942 -13.738 2.144 1.00 0.00 C ATOM 882 C THR A 91 -1.405 -13.309 0.759 1.00 0.00 C ATOM 883 O THR A 91 -1.280 -14.058 -0.211 1.00 0.00 O ATOM 884 CB THR A 91 0.579 -13.982 2.133 1.00 0.00 C ATOM 885 OG1 THR A 91 1.015 -14.330 3.453 1.00 0.00 O ATOM 886 CG2 THR A 91 1.332 -12.750 1.652 1.00 0.00 C ATOM 0 H THR A 91 -1.389 -15.772 2.086 1.00 0.00 H new ATOM 0 HA THR A 91 -1.171 -12.937 2.846 1.00 0.00 H new ATOM 0 HB THR A 91 0.791 -14.799 1.443 1.00 0.00 H new ATOM 0 HG1 THR A 91 1.982 -14.487 3.447 1.00 0.00 H new ATOM 0 HG21 THR A 91 2.403 -12.954 1.655 1.00 0.00 H new ATOM 0 HG22 THR A 91 1.013 -12.501 0.640 1.00 0.00 H new ATOM 0 HG23 THR A 91 1.120 -11.912 2.316 1.00 0.00 H new ATOM 894 N VAL A 92 -1.971 -12.115 0.678 1.00 0.00 N ATOM 895 CA VAL A 92 -2.296 -11.515 -0.603 1.00 0.00 C ATOM 896 C VAL A 92 -1.213 -10.531 -0.979 1.00 0.00 C ATOM 897 O VAL A 92 -0.442 -10.087 -0.125 1.00 0.00 O ATOM 898 CB VAL A 92 -3.648 -10.786 -0.597 1.00 0.00 C ATOM 899 CG1 VAL A 92 -4.746 -11.724 -0.140 1.00 0.00 C ATOM 900 CG2 VAL A 92 -3.597 -9.524 0.249 1.00 0.00 C ATOM 0 H VAL A 92 -2.214 -11.543 1.487 1.00 0.00 H new ATOM 0 HA VAL A 92 -2.365 -12.326 -1.328 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.873 -10.471 -1.616 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -5.699 -11.196 -0.140 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -4.803 -12.575 -0.818 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -4.527 -12.077 0.868 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -4.570 -9.034 0.230 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.341 -9.785 1.276 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.842 -8.847 -0.152 1.00 0.00 H new ATOM 910 N GLN A 93 -1.160 -10.184 -2.243 1.00 0.00 N ATOM 911 CA GLN A 93 -0.202 -9.219 -2.709 1.00 0.00 C ATOM 912 C GLN A 93 -0.895 -7.868 -2.790 1.00 0.00 C ATOM 913 O GLN A 93 -1.953 -7.743 -3.406 1.00 0.00 O ATOM 914 CB GLN A 93 0.367 -9.647 -4.066 1.00 0.00 C ATOM 915 CG GLN A 93 1.740 -9.071 -4.349 1.00 0.00 C ATOM 916 CD GLN A 93 1.714 -7.584 -4.627 1.00 0.00 C ATOM 917 OE1 GLN A 93 0.789 -7.062 -5.252 1.00 0.00 O ATOM 918 NE2 GLN A 93 2.698 -6.885 -4.104 1.00 0.00 N ATOM 0 H GLN A 93 -1.773 -10.559 -2.967 1.00 0.00 H new ATOM 0 HA GLN A 93 0.640 -9.149 -2.020 1.00 0.00 H new ATOM 0 HB2 GLN A 93 0.423 -10.735 -4.102 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -0.319 -9.337 -4.854 1.00 0.00 H new ATOM 0 HG2 GLN A 93 2.391 -9.264 -3.496 1.00 0.00 H new ATOM 0 HG3 GLN A 93 2.175 -9.587 -5.205 1.00 0.00 H new ATOM 0 HE21 GLN A 93 3.444 -7.357 -3.594 1.00 0.00 H new ATOM 0 HE22 GLN A 93 2.715 -5.871 -4.209 1.00 0.00 H new ATOM 927 N LEU A 94 -0.304 -6.876 -2.146 1.00 0.00 N ATOM 928 CA LEU A 94 -0.910 -5.559 -2.049 1.00 0.00 C ATOM 929 C LEU A 94 -0.201 -4.573 -2.952 1.00 0.00 C ATOM 930 O LEU A 94 0.997 -4.326 -2.800 1.00 0.00 O ATOM 931 CB LEU A 94 -0.883 -5.019 -0.611 1.00 0.00 C ATOM 932 CG LEU A 94 -1.672 -5.811 0.434 1.00 0.00 C ATOM 933 CD1 LEU A 94 -2.978 -6.335 -0.131 1.00 0.00 C ATOM 934 CD2 LEU A 94 -0.836 -6.938 1.017 1.00 0.00 C ATOM 0 H LEU A 94 0.600 -6.959 -1.680 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.948 -5.670 -2.362 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.156 -4.968 -0.286 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.264 -3.998 -0.623 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.919 -5.124 1.244 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.510 -6.892 0.640 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.592 -5.498 -0.464 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -2.771 -6.992 -0.976 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.424 -7.482 1.756 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.536 -7.618 0.220 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.052 -6.523 1.494 1.00 0.00 H new ATOM 946 N SER A 95 -0.931 -4.019 -3.902 1.00 0.00 N ATOM 947 CA SER A 95 -0.428 -2.882 -4.642 1.00 0.00 C ATOM 948 C SER A 95 -0.814 -1.617 -3.885 1.00 0.00 C ATOM 949 O SER A 95 -1.724 -0.886 -4.266 1.00 0.00 O ATOM 950 CB SER A 95 -1.008 -2.885 -6.054 1.00 0.00 C ATOM 951 OG SER A 95 -0.788 -4.141 -6.677 1.00 0.00 O ATOM 0 H SER A 95 -1.862 -4.334 -4.175 1.00 0.00 H new ATOM 0 HA SER A 95 0.657 -2.929 -4.734 1.00 0.00 H new ATOM 0 HB2 SER A 95 -2.077 -2.673 -6.015 1.00 0.00 H new ATOM 0 HB3 SER A 95 -0.547 -2.093 -6.645 1.00 0.00 H new ATOM 0 HG SER A 95 -1.167 -4.129 -7.581 1.00 0.00 H new ATOM 957 N VAL A 96 -0.111 -1.397 -2.790 1.00 0.00 N ATOM 958 CA VAL A 96 -0.409 -0.305 -1.878 1.00 0.00 C ATOM 959 C VAL A 96 0.387 0.961 -2.220 1.00 0.00 C ATOM 960 O VAL A 96 1.604 0.925 -2.414 1.00 0.00 O ATOM 961 CB VAL A 96 -0.189 -0.759 -0.413 1.00 0.00 C ATOM 962 CG1 VAL A 96 1.132 -1.498 -0.267 1.00 0.00 C ATOM 963 CG2 VAL A 96 -0.275 0.407 0.554 1.00 0.00 C ATOM 0 H VAL A 96 0.684 -1.970 -2.506 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.460 -0.039 -1.993 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.993 -1.450 -0.158 1.00 0.00 H new ATOM 0 HG11 VAL A 96 1.264 -1.806 0.770 1.00 0.00 H new ATOM 0 HG12 VAL A 96 1.129 -2.378 -0.910 1.00 0.00 H new ATOM 0 HG13 VAL A 96 1.951 -0.840 -0.556 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -0.116 0.049 1.571 1.00 0.00 H new ATOM 0 HG22 VAL A 96 0.489 1.144 0.305 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -1.260 0.868 0.482 1.00 0.00 H new ATOM 973 N GLN A 97 -0.344 2.063 -2.335 1.00 0.00 N ATOM 974 CA GLN A 97 0.209 3.363 -2.695 1.00 0.00 C ATOM 975 C GLN A 97 0.313 4.264 -1.482 1.00 0.00 C ATOM 976 O GLN A 97 -0.478 4.153 -0.554 1.00 0.00 O ATOM 977 CB GLN A 97 -0.695 4.065 -3.706 1.00 0.00 C ATOM 978 CG GLN A 97 -0.682 3.460 -5.093 1.00 0.00 C ATOM 979 CD GLN A 97 -1.448 4.298 -6.100 1.00 0.00 C ATOM 980 OE1 GLN A 97 -2.461 5.015 -5.629 1.00 0.00 O flip ATOM 981 NE2 GLN A 97 -1.136 4.300 -7.288 1.00 0.00 N flip ATOM 0 H GLN A 97 -1.352 2.079 -2.179 1.00 0.00 H new ATOM 0 HA GLN A 97 1.198 3.185 -3.118 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -1.718 4.053 -3.329 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -0.394 5.110 -3.777 1.00 0.00 H new ATOM 0 HG2 GLN A 97 0.349 3.349 -5.428 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -1.114 2.460 -5.054 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -0.350 3.735 -7.610 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -1.663 4.867 -7.953 1.00 0.00 H new ATOM 990 N VAL A 98 1.281 5.160 -1.493 1.00 0.00 N ATOM 991 CA VAL A 98 1.318 6.215 -0.520 1.00 0.00 C ATOM 992 C VAL A 98 0.648 7.455 -1.115 1.00 0.00 C ATOM 993 O VAL A 98 1.038 7.958 -2.174 1.00 0.00 O ATOM 994 CB VAL A 98 2.760 6.505 -0.034 1.00 0.00 C ATOM 995 CG1 VAL A 98 3.559 5.215 0.085 1.00 0.00 C ATOM 996 CG2 VAL A 98 3.489 7.511 -0.905 1.00 0.00 C ATOM 0 H VAL A 98 2.047 5.172 -2.166 1.00 0.00 H new ATOM 0 HA VAL A 98 0.767 5.905 0.368 1.00 0.00 H new ATOM 0 HB VAL A 98 2.669 6.958 0.953 1.00 0.00 H new ATOM 0 HG11 VAL A 98 4.568 5.443 0.428 1.00 0.00 H new ATOM 0 HG12 VAL A 98 3.074 4.551 0.801 1.00 0.00 H new ATOM 0 HG13 VAL A 98 3.608 4.726 -0.888 1.00 0.00 H new ATOM 0 HG21 VAL A 98 4.493 7.672 -0.513 1.00 0.00 H new ATOM 0 HG22 VAL A 98 3.554 7.130 -1.924 1.00 0.00 H new ATOM 0 HG23 VAL A 98 2.944 8.455 -0.905 1.00 0.00 H new ATOM 1006 N ILE A 99 -0.427 7.879 -0.487 1.00 0.00 N ATOM 1007 CA ILE A 99 -1.208 8.983 -0.996 1.00 0.00 C ATOM 1008 C ILE A 99 -1.044 10.246 -0.174 1.00 0.00 C ATOM 1009 O ILE A 99 -1.628 10.371 0.900 1.00 0.00 O ATOM 1010 CB ILE A 99 -2.716 8.660 -1.021 1.00 0.00 C ATOM 1011 CG1 ILE A 99 -3.020 7.477 -1.929 1.00 0.00 C ATOM 1012 CG2 ILE A 99 -3.507 9.876 -1.470 1.00 0.00 C ATOM 1013 CD1 ILE A 99 -4.498 7.158 -1.999 1.00 0.00 C ATOM 0 H ILE A 99 -0.780 7.474 0.380 1.00 0.00 H new ATOM 0 HA ILE A 99 -0.830 9.144 -2.006 1.00 0.00 H new ATOM 0 HB ILE A 99 -3.013 8.391 -0.008 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -2.651 7.690 -2.932 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -2.480 6.601 -1.570 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -4.570 9.634 -1.483 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -3.331 10.700 -0.779 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -3.189 10.168 -2.471 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -4.655 6.306 -2.661 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -4.866 6.916 -1.002 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -5.039 8.022 -2.385 1.00 0.00 H new ATOM 1025 N SER A 100 -0.241 11.164 -0.653 1.00 0.00 N ATOM 1026 CA SER A 100 -0.375 12.542 -0.248 1.00 0.00 C ATOM 1027 C SER A 100 -0.461 13.383 -1.520 1.00 0.00 C ATOM 1028 O SER A 100 0.552 13.799 -2.087 1.00 0.00 O ATOM 1029 CB SER A 100 0.800 12.946 0.655 1.00 0.00 C ATOM 1030 OG SER A 100 2.048 12.729 0.012 1.00 0.00 O ATOM 0 H SER A 100 0.509 10.984 -1.321 1.00 0.00 H new ATOM 0 HA SER A 100 -1.277 12.701 0.343 1.00 0.00 H new ATOM 0 HB2 SER A 100 0.707 13.998 0.926 1.00 0.00 H new ATOM 0 HB3 SER A 100 0.762 12.373 1.582 1.00 0.00 H new ATOM 0 HG SER A 100 2.007 13.069 -0.906 1.00 0.00 H new ATOM 1036 N TYR A 101 -1.688 13.599 -1.988 1.00 0.00 N ATOM 1037 CA TYR A 101 -1.909 14.183 -3.306 1.00 0.00 C ATOM 1038 C TYR A 101 -1.834 15.710 -3.280 1.00 0.00 C ATOM 1039 O TYR A 101 -0.745 16.283 -3.234 1.00 0.00 O ATOM 1040 CB TYR A 101 -3.249 13.707 -3.893 1.00 0.00 C ATOM 1041 CG TYR A 101 -3.231 12.272 -4.391 1.00 0.00 C ATOM 1042 CD1 TYR A 101 -2.078 11.730 -4.948 1.00 0.00 C ATOM 1043 CD2 TYR A 101 -4.369 11.460 -4.329 1.00 0.00 C ATOM 1044 CE1 TYR A 101 -2.053 10.435 -5.427 1.00 0.00 C ATOM 1045 CE2 TYR A 101 -4.345 10.163 -4.804 1.00 0.00 C ATOM 1046 CZ TYR A 101 -3.186 9.658 -5.351 1.00 0.00 C ATOM 1047 OH TYR A 101 -3.161 8.370 -5.828 1.00 0.00 O ATOM 0 H TYR A 101 -2.542 13.379 -1.475 1.00 0.00 H new ATOM 0 HA TYR A 101 -1.104 13.836 -3.954 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -4.023 13.807 -3.132 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -3.526 14.363 -4.718 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -1.184 12.334 -5.007 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -5.280 11.853 -3.903 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -1.148 10.034 -5.859 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -5.231 9.548 -4.747 1.00 0.00 H new ATOM 0 HH TYR A 101 -4.040 7.956 -5.699 1.00 0.00 H new ATOM 1057 N GLN A 102 -2.982 16.371 -3.292 1.00 0.00 N ATOM 1058 CA GLN A 102 -3.016 17.826 -3.336 1.00 0.00 C ATOM 1059 C GLN A 102 -3.274 18.384 -1.945 1.00 0.00 C ATOM 1060 O GLN A 102 -4.274 19.067 -1.717 1.00 0.00 O ATOM 1061 CB GLN A 102 -4.101 18.331 -4.302 1.00 0.00 C ATOM 1062 CG GLN A 102 -4.039 17.723 -5.697 1.00 0.00 C ATOM 1063 CD GLN A 102 -4.690 16.352 -5.792 1.00 0.00 C ATOM 1064 OE1 GLN A 102 -5.700 16.107 -4.966 1.00 0.00 O flip ATOM 1065 NE2 GLN A 102 -4.285 15.512 -6.596 1.00 0.00 N flip ATOM 0 H GLN A 102 -3.899 15.925 -3.272 1.00 0.00 H new ATOM 0 HA GLN A 102 -2.047 18.172 -3.696 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -5.080 18.120 -3.871 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -4.017 19.414 -4.388 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -4.527 18.398 -6.400 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -2.996 17.643 -6.004 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -3.506 15.734 -7.216 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -4.728 14.594 -6.642 1.00 0.00 H new ATOM 1074 N GLY A 103 -2.383 18.086 -1.013 1.00 0.00 N ATOM 1075 CA GLY A 103 -2.603 18.498 0.357 1.00 0.00 C ATOM 1076 C GLY A 103 -3.593 17.586 1.041 1.00 0.00 C ATOM 1077 O GLY A 103 -4.416 18.023 1.844 1.00 0.00 O ATOM 0 H GLY A 103 -1.518 17.571 -1.178 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -1.658 18.488 0.900 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -2.972 19.523 0.378 1.00 0.00 H new ATOM 1081 N MET A 104 -3.504 16.307 0.712 1.00 0.00 N ATOM 1082 CA MET A 104 -4.432 15.308 1.219 1.00 0.00 C ATOM 1083 C MET A 104 -3.901 14.675 2.484 1.00 0.00 C ATOM 1084 O MET A 104 -2.762 14.920 2.876 1.00 0.00 O ATOM 1085 CB MET A 104 -4.661 14.207 0.186 1.00 0.00 C ATOM 1086 CG MET A 104 -5.696 14.541 -0.866 1.00 0.00 C ATOM 1087 SD MET A 104 -6.125 13.100 -1.853 1.00 0.00 S ATOM 1088 CE MET A 104 -6.589 11.952 -0.557 1.00 0.00 C ATOM 0 H MET A 104 -2.789 15.933 0.088 1.00 0.00 H new ATOM 0 HA MET A 104 -5.373 15.816 1.430 1.00 0.00 H new ATOM 0 HB2 MET A 104 -3.715 13.988 -0.309 1.00 0.00 H new ATOM 0 HB3 MET A 104 -4.967 13.298 0.704 1.00 0.00 H new ATOM 0 HG2 MET A 104 -6.592 14.933 -0.384 1.00 0.00 H new ATOM 0 HG3 MET A 104 -5.314 15.328 -1.516 1.00 0.00 H new ATOM 0 HE1 MET A 104 -7.219 11.167 -0.975 1.00 0.00 H new ATOM 0 HE2 MET A 104 -5.692 11.507 -0.127 1.00 0.00 H new ATOM 0 HE3 MET A 104 -7.139 12.483 0.220 1.00 0.00 H new ATOM 1098 N GLU A 105 -4.731 13.858 3.113 1.00 0.00 N ATOM 1099 CA GLU A 105 -4.312 13.094 4.269 1.00 0.00 C ATOM 1100 C GLU A 105 -3.562 11.854 3.804 1.00 0.00 C ATOM 1101 O GLU A 105 -4.137 10.988 3.143 1.00 0.00 O ATOM 1102 CB GLU A 105 -5.518 12.688 5.119 1.00 0.00 C ATOM 1103 CG GLU A 105 -5.136 12.040 6.440 1.00 0.00 C ATOM 1104 CD GLU A 105 -4.599 13.034 7.455 1.00 0.00 C ATOM 1105 OE1 GLU A 105 -3.783 13.907 7.085 1.00 0.00 O ATOM 1106 OE2 GLU A 105 -5.007 12.955 8.633 1.00 0.00 O ATOM 0 H GLU A 105 -5.702 13.709 2.838 1.00 0.00 H new ATOM 0 HA GLU A 105 -3.657 13.712 4.883 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -6.126 13.570 5.318 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -6.138 11.996 4.549 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -6.009 11.538 6.858 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -4.384 11.273 6.258 1.00 0.00 H new ATOM 1113 N PRO A 106 -2.256 11.791 4.102 1.00 0.00 N ATOM 1114 CA PRO A 106 -1.400 10.656 3.766 1.00 0.00 C ATOM 1115 C PRO A 106 -2.037 9.311 4.105 1.00 0.00 C ATOM 1116 O PRO A 106 -2.312 9.004 5.265 1.00 0.00 O ATOM 1117 CB PRO A 106 -0.129 10.887 4.602 1.00 0.00 C ATOM 1118 CG PRO A 106 -0.413 12.077 5.460 1.00 0.00 C ATOM 1119 CD PRO A 106 -1.501 12.843 4.774 1.00 0.00 C ATOM 0 HA PRO A 106 -1.209 10.607 2.694 1.00 0.00 H new ATOM 0 HB2 PRO A 106 0.102 10.013 5.211 1.00 0.00 H new ATOM 0 HB3 PRO A 106 0.734 11.065 3.960 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -0.724 11.770 6.459 1.00 0.00 H new ATOM 0 HG3 PRO A 106 0.479 12.692 5.579 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -2.118 13.395 5.484 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -1.101 13.570 4.067 1.00 0.00 H new ATOM 1127 N LYS A 107 -2.290 8.535 3.068 1.00 0.00 N ATOM 1128 CA LYS A 107 -2.852 7.199 3.211 1.00 0.00 C ATOM 1129 C LYS A 107 -2.046 6.191 2.417 1.00 0.00 C ATOM 1130 O LYS A 107 -1.627 6.481 1.307 1.00 0.00 O ATOM 1131 CB LYS A 107 -4.283 7.165 2.688 1.00 0.00 C ATOM 1132 CG LYS A 107 -5.296 7.866 3.566 1.00 0.00 C ATOM 1133 CD LYS A 107 -6.683 7.734 2.977 1.00 0.00 C ATOM 1134 CE LYS A 107 -6.863 8.600 1.748 1.00 0.00 C ATOM 1135 NZ LYS A 107 -8.286 8.634 1.324 1.00 0.00 N ATOM 0 H LYS A 107 -2.113 8.810 2.102 1.00 0.00 H new ATOM 0 HA LYS A 107 -2.829 6.947 4.271 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -4.304 7.621 1.698 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -4.586 6.125 2.567 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -5.277 7.438 4.568 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -5.034 8.920 3.665 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -6.868 6.692 2.716 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -7.423 8.011 3.727 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -6.518 9.612 1.959 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -6.247 8.216 0.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -8.344 8.915 0.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -8.707 7.690 1.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -8.806 9.321 1.907 1.00 0.00 H new ATOM 1149 N LEU A 108 -1.830 5.016 2.972 1.00 0.00 N ATOM 1150 CA LEU A 108 -1.266 3.924 2.199 1.00 0.00 C ATOM 1151 C LEU A 108 -2.400 3.014 1.757 1.00 0.00 C ATOM 1152 O LEU A 108 -2.848 2.172 2.527 1.00 0.00 O ATOM 1153 CB LEU A 108 -0.254 3.108 3.025 1.00 0.00 C ATOM 1154 CG LEU A 108 1.104 3.763 3.331 1.00 0.00 C ATOM 1155 CD1 LEU A 108 1.218 5.144 2.714 1.00 0.00 C ATOM 1156 CD2 LEU A 108 1.325 3.831 4.830 1.00 0.00 C ATOM 0 H LEU A 108 -2.033 4.792 3.946 1.00 0.00 H new ATOM 0 HA LEU A 108 -0.739 4.340 1.340 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -0.724 2.850 3.974 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -0.065 2.173 2.498 1.00 0.00 H new ATOM 0 HG LEU A 108 1.880 3.142 2.883 1.00 0.00 H new ATOM 0 HD11 LEU A 108 2.192 5.571 2.954 1.00 0.00 H new ATOM 0 HD12 LEU A 108 1.112 5.069 1.632 1.00 0.00 H new ATOM 0 HD13 LEU A 108 0.432 5.786 3.112 1.00 0.00 H new ATOM 0 HD21 LEU A 108 2.289 4.296 5.035 1.00 0.00 H new ATOM 0 HD22 LEU A 108 0.532 4.422 5.288 1.00 0.00 H new ATOM 0 HD23 LEU A 108 1.313 2.823 5.246 1.00 0.00 H new ATOM 1168 N ASN A 109 -2.842 3.147 0.514 1.00 0.00 N ATOM 1169 CA ASN A 109 -3.982 2.364 0.037 1.00 0.00 C ATOM 1170 C ASN A 109 -3.564 1.200 -0.825 1.00 0.00 C ATOM 1171 O ASN A 109 -2.815 1.349 -1.776 1.00 0.00 O ATOM 1172 CB ASN A 109 -4.991 3.198 -0.757 1.00 0.00 C ATOM 1173 CG ASN A 109 -4.393 3.949 -1.931 1.00 0.00 C ATOM 1174 OD1 ASN A 109 -3.214 4.286 -1.944 1.00 0.00 O ATOM 1175 ND2 ASN A 109 -5.223 4.230 -2.926 1.00 0.00 N ATOM 0 H ASN A 109 -2.438 3.779 -0.177 1.00 0.00 H new ATOM 0 HA ASN A 109 -4.456 1.997 0.948 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -5.779 2.541 -1.125 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -5.462 3.915 -0.084 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -4.887 4.744 -3.740 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -6.197 3.932 -2.877 1.00 0.00 H new ATOM 1182 N ILE A 110 -4.070 0.041 -0.483 1.00 0.00 N ATOM 1183 CA ILE A 110 -3.961 -1.115 -1.339 1.00 0.00 C ATOM 1184 C ILE A 110 -4.896 -0.953 -2.518 1.00 0.00 C ATOM 1185 O ILE A 110 -6.106 -0.861 -2.343 1.00 0.00 O ATOM 1186 CB ILE A 110 -4.344 -2.391 -0.589 1.00 0.00 C ATOM 1187 CG1 ILE A 110 -3.456 -2.548 0.645 1.00 0.00 C ATOM 1188 CG2 ILE A 110 -4.232 -3.588 -1.515 1.00 0.00 C ATOM 1189 CD1 ILE A 110 -4.000 -3.512 1.671 1.00 0.00 C ATOM 0 H ILE A 110 -4.567 -0.128 0.392 1.00 0.00 H new ATOM 0 HA ILE A 110 -2.927 -1.196 -1.673 1.00 0.00 H new ATOM 0 HB ILE A 110 -5.379 -2.326 -0.254 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -2.469 -2.887 0.330 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -3.324 -1.572 1.112 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -4.506 -4.494 -0.974 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -4.903 -3.455 -2.364 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -3.206 -3.676 -1.873 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -3.314 -3.569 2.516 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -4.974 -3.164 2.017 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -4.106 -4.500 1.222 1.00 0.00 H new ATOM 1201 N LEU A 111 -4.349 -0.912 -3.709 1.00 0.00 N ATOM 1202 CA LEU A 111 -5.174 -0.768 -4.885 1.00 0.00 C ATOM 1203 C LEU A 111 -5.553 -2.127 -5.439 1.00 0.00 C ATOM 1204 O LEU A 111 -6.411 -2.219 -6.316 1.00 0.00 O ATOM 1205 CB LEU A 111 -4.482 0.056 -5.978 1.00 0.00 C ATOM 1206 CG LEU A 111 -4.469 1.569 -5.759 1.00 0.00 C ATOM 1207 CD1 LEU A 111 -5.872 2.081 -5.478 1.00 0.00 C ATOM 1208 CD2 LEU A 111 -3.533 1.937 -4.629 1.00 0.00 C ATOM 0 H LEU A 111 -3.347 -0.975 -3.889 1.00 0.00 H new ATOM 0 HA LEU A 111 -6.073 -0.234 -4.578 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -3.452 -0.288 -6.070 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -4.973 -0.151 -6.929 1.00 0.00 H new ATOM 0 HG LEU A 111 -4.107 2.043 -6.671 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -5.842 3.160 -5.325 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -6.519 1.853 -6.325 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -6.263 1.598 -4.582 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -3.538 3.018 -4.490 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -3.863 1.451 -3.711 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -2.523 1.608 -4.871 1.00 0.00 H new ATOM 1220 N GLU A 112 -4.941 -3.195 -4.922 1.00 0.00 N ATOM 1221 CA GLU A 112 -5.156 -4.501 -5.506 1.00 0.00 C ATOM 1222 C GLU A 112 -4.759 -5.593 -4.540 1.00 0.00 C ATOM 1223 O GLU A 112 -3.693 -5.536 -3.929 1.00 0.00 O ATOM 1224 CB GLU A 112 -4.372 -4.633 -6.814 1.00 0.00 C ATOM 1225 CG GLU A 112 -4.603 -5.950 -7.528 1.00 0.00 C ATOM 1226 CD GLU A 112 -4.030 -5.959 -8.929 1.00 0.00 C ATOM 1227 OE1 GLU A 112 -4.664 -5.381 -9.838 1.00 0.00 O ATOM 1228 OE2 GLU A 112 -2.944 -6.541 -9.134 1.00 0.00 O ATOM 0 H GLU A 112 -4.310 -3.175 -4.121 1.00 0.00 H new ATOM 0 HA GLU A 112 -6.219 -4.609 -5.723 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -4.650 -3.815 -7.479 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -3.308 -4.525 -6.603 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -4.153 -6.757 -6.950 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -5.673 -6.151 -7.576 1.00 0.00 H new ATOM 1235 N ILE A 113 -5.639 -6.565 -4.398 1.00 0.00 N ATOM 1236 CA ILE A 113 -5.400 -7.710 -3.551 1.00 0.00 C ATOM 1237 C ILE A 113 -5.434 -8.974 -4.380 1.00 0.00 C ATOM 1238 O ILE A 113 -6.414 -9.238 -5.070 1.00 0.00 O ATOM 1239 CB ILE A 113 -6.468 -7.831 -2.450 1.00 0.00 C ATOM 1240 CG1 ILE A 113 -6.362 -6.687 -1.455 1.00 0.00 C ATOM 1241 CG2 ILE A 113 -6.358 -9.164 -1.733 1.00 0.00 C ATOM 1242 CD1 ILE A 113 -7.409 -6.781 -0.381 1.00 0.00 C ATOM 0 H ILE A 113 -6.543 -6.580 -4.870 1.00 0.00 H new ATOM 0 HA ILE A 113 -4.423 -7.575 -3.087 1.00 0.00 H new ATOM 0 HB ILE A 113 -7.445 -7.776 -2.931 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -5.372 -6.693 -0.999 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -6.465 -5.738 -1.981 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -7.124 -9.225 -0.959 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -6.499 -9.974 -2.448 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -5.372 -9.251 -1.276 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -7.298 -5.945 0.309 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -8.400 -6.748 -0.835 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -7.290 -7.718 0.162 1.00 0.00 H new ATOM 1254 N VAL A 114 -4.367 -9.744 -4.329 1.00 0.00 N ATOM 1255 CA VAL A 114 -4.353 -11.041 -4.969 1.00 0.00 C ATOM 1256 C VAL A 114 -3.685 -12.062 -4.057 1.00 0.00 C ATOM 1257 O VAL A 114 -2.495 -11.964 -3.779 1.00 0.00 O ATOM 1258 CB VAL A 114 -3.637 -11.002 -6.347 1.00 0.00 C ATOM 1259 CG1 VAL A 114 -4.445 -10.204 -7.355 1.00 0.00 C ATOM 1260 CG2 VAL A 114 -2.236 -10.412 -6.228 1.00 0.00 C ATOM 0 H VAL A 114 -3.501 -9.494 -3.852 1.00 0.00 H new ATOM 0 HA VAL A 114 -5.388 -11.334 -5.148 1.00 0.00 H new ATOM 0 HB VAL A 114 -3.551 -12.031 -6.696 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -3.923 -10.191 -8.312 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -5.425 -10.665 -7.482 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -4.568 -9.182 -6.995 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -1.762 -10.399 -7.210 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -2.301 -9.394 -5.843 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -1.642 -11.020 -5.546 1.00 0.00 H new ATOM 1270 N LYS A 115 -4.463 -13.004 -3.539 1.00 0.00 N ATOM 1271 CA LYS A 115 -3.913 -13.993 -2.627 1.00 0.00 C ATOM 1272 C LYS A 115 -2.826 -14.814 -3.318 1.00 0.00 C ATOM 1273 O LYS A 115 -3.081 -15.634 -4.200 1.00 0.00 O ATOM 1274 CB LYS A 115 -5.000 -14.888 -2.007 1.00 0.00 C ATOM 1275 CG LYS A 115 -5.567 -15.954 -2.928 1.00 0.00 C ATOM 1276 CD LYS A 115 -5.613 -17.307 -2.233 1.00 0.00 C ATOM 1277 CE LYS A 115 -4.245 -17.707 -1.694 1.00 0.00 C ATOM 1278 NZ LYS A 115 -4.273 -19.009 -0.972 1.00 0.00 N ATOM 0 H LYS A 115 -5.460 -13.102 -3.732 1.00 0.00 H new ATOM 0 HA LYS A 115 -3.455 -13.455 -1.797 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -4.586 -15.376 -1.125 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -5.818 -14.254 -1.665 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -6.570 -15.670 -3.245 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -4.956 -16.024 -3.828 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -6.331 -17.272 -1.414 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -5.965 -18.065 -2.933 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -3.537 -17.769 -2.520 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -3.882 -16.930 -1.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -3.419 -19.554 -1.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -4.303 -18.837 0.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -5.116 -19.546 -1.258 1.00 0.00 H new ATOM 1292 N THR A 116 -1.604 -14.527 -2.925 1.00 0.00 N ATOM 1293 CA THR A 116 -0.423 -15.199 -3.437 1.00 0.00 C ATOM 1294 C THR A 116 -0.157 -14.867 -4.910 1.00 0.00 C ATOM 1295 O THR A 116 0.701 -14.041 -5.226 1.00 0.00 O ATOM 1296 CB THR A 116 -0.543 -16.720 -3.236 1.00 0.00 C ATOM 1297 OG1 THR A 116 -0.458 -17.022 -1.839 1.00 0.00 O ATOM 1298 CG2 THR A 116 0.532 -17.461 -4.006 1.00 0.00 C ATOM 0 H THR A 116 -1.397 -13.810 -2.230 1.00 0.00 H new ATOM 0 HA THR A 116 0.431 -14.831 -2.869 1.00 0.00 H new ATOM 0 HB THR A 116 -1.508 -17.049 -3.620 1.00 0.00 H new ATOM 0 HG1 THR A 116 -0.536 -17.990 -1.708 1.00 0.00 H new ATOM 0 HG21 THR A 116 0.422 -18.533 -3.844 1.00 0.00 H new ATOM 0 HG22 THR A 116 0.434 -17.242 -5.069 1.00 0.00 H new ATOM 0 HG23 THR A 116 1.514 -17.141 -3.659 1.00 0.00 H new ATOM 1306 N ALA A 117 -0.914 -15.493 -5.794 1.00 0.00 N ATOM 1307 CA ALA A 117 -0.719 -15.360 -7.228 1.00 0.00 C ATOM 1308 C ALA A 117 -2.017 -15.704 -7.926 1.00 0.00 C ATOM 1309 O ALA A 117 -2.350 -15.149 -8.974 1.00 0.00 O ATOM 1310 CB ALA A 117 0.407 -16.265 -7.710 1.00 0.00 C ATOM 0 H ALA A 117 -1.684 -16.110 -5.537 1.00 0.00 H new ATOM 0 HA ALA A 117 -0.435 -14.334 -7.463 1.00 0.00 H new ATOM 0 HB1 ALA A 117 0.533 -16.147 -8.786 1.00 0.00 H new ATOM 0 HB2 ALA A 117 1.334 -15.994 -7.204 1.00 0.00 H new ATOM 0 HB3 ALA A 117 0.161 -17.303 -7.485 1.00 0.00 H new ATOM 1316 N GLU A 118 -2.744 -16.642 -7.330 1.00 0.00 N ATOM 1317 CA GLU A 118 -4.102 -16.934 -7.738 1.00 0.00 C ATOM 1318 C GLU A 118 -5.009 -15.782 -7.313 1.00 0.00 C ATOM 1319 O GLU A 118 -5.613 -15.804 -6.242 1.00 0.00 O ATOM 1320 CB GLU A 118 -4.557 -18.267 -7.131 1.00 0.00 C ATOM 1321 CG GLU A 118 -4.227 -18.408 -5.653 1.00 0.00 C ATOM 1322 CD GLU A 118 -4.532 -19.789 -5.120 1.00 0.00 C ATOM 1323 OE1 GLU A 118 -3.648 -20.668 -5.200 1.00 0.00 O ATOM 1324 OE2 GLU A 118 -5.651 -20.005 -4.616 1.00 0.00 O ATOM 0 H GLU A 118 -2.407 -17.215 -6.556 1.00 0.00 H new ATOM 0 HA GLU A 118 -4.156 -17.033 -8.822 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -5.634 -18.369 -7.265 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -4.089 -19.085 -7.679 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -3.171 -18.187 -5.497 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -4.794 -17.670 -5.086 1.00 0.00 H new ATOM 1331 N THR A 119 -5.036 -14.762 -8.160 1.00 0.00 N ATOM 1332 CA THR A 119 -5.793 -13.532 -7.925 1.00 0.00 C ATOM 1333 C THR A 119 -7.171 -13.786 -7.308 1.00 0.00 C ATOM 1334 O THR A 119 -8.034 -14.429 -7.911 1.00 0.00 O ATOM 1335 CB THR A 119 -5.948 -12.722 -9.241 1.00 0.00 C ATOM 1336 OG1 THR A 119 -6.812 -11.595 -9.043 1.00 0.00 O ATOM 1337 CG2 THR A 119 -6.487 -13.588 -10.372 1.00 0.00 C ATOM 0 H THR A 119 -4.526 -14.762 -9.044 1.00 0.00 H new ATOM 0 HA THR A 119 -5.217 -12.953 -7.203 1.00 0.00 H new ATOM 0 HB THR A 119 -4.956 -12.370 -9.522 1.00 0.00 H new ATOM 0 HG1 THR A 119 -6.896 -11.096 -9.882 1.00 0.00 H new ATOM 0 HG21 THR A 119 -6.582 -12.987 -11.277 1.00 0.00 H new ATOM 0 HG22 THR A 119 -5.801 -14.415 -10.556 1.00 0.00 H new ATOM 0 HG23 THR A 119 -7.464 -13.983 -10.094 1.00 0.00 H new ATOM 1345 N VAL A 120 -7.358 -13.299 -6.081 1.00 0.00 N ATOM 1346 CA VAL A 120 -8.666 -13.335 -5.444 1.00 0.00 C ATOM 1347 C VAL A 120 -9.620 -12.390 -6.174 1.00 0.00 C ATOM 1348 O VAL A 120 -9.222 -11.308 -6.614 1.00 0.00 O ATOM 1349 CB VAL A 120 -8.588 -12.962 -3.942 1.00 0.00 C ATOM 1350 CG1 VAL A 120 -8.014 -11.571 -3.752 1.00 0.00 C ATOM 1351 CG2 VAL A 120 -9.954 -13.067 -3.281 1.00 0.00 C ATOM 0 H VAL A 120 -6.622 -12.878 -5.514 1.00 0.00 H new ATOM 0 HA VAL A 120 -9.042 -14.356 -5.506 1.00 0.00 H new ATOM 0 HB VAL A 120 -7.919 -13.675 -3.461 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -7.971 -11.337 -2.688 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -7.009 -11.531 -4.173 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -8.648 -10.843 -4.258 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -9.870 -12.800 -2.228 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -10.650 -12.387 -3.773 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -10.323 -14.089 -3.368 1.00 0.00 H new ATOM 1361 N GLU A 121 -10.865 -12.806 -6.312 1.00 0.00 N ATOM 1362 CA GLU A 121 -11.841 -12.061 -7.086 1.00 0.00 C ATOM 1363 C GLU A 121 -12.895 -11.432 -6.189 1.00 0.00 C ATOM 1364 O GLU A 121 -13.461 -12.098 -5.320 1.00 0.00 O ATOM 1365 CB GLU A 121 -12.518 -12.987 -8.098 1.00 0.00 C ATOM 1366 CG GLU A 121 -11.589 -13.491 -9.190 1.00 0.00 C ATOM 1367 CD GLU A 121 -11.188 -12.399 -10.157 1.00 0.00 C ATOM 1368 OE1 GLU A 121 -11.995 -12.076 -11.055 1.00 0.00 O ATOM 1369 OE2 GLU A 121 -10.070 -11.857 -10.028 1.00 0.00 O ATOM 0 H GLU A 121 -11.227 -13.663 -5.894 1.00 0.00 H new ATOM 0 HA GLU A 121 -11.316 -11.262 -7.609 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -12.938 -13.842 -7.569 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -13.351 -12.457 -8.560 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -10.694 -13.915 -8.735 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -12.080 -14.295 -9.738 1.00 0.00 H new ATOM 1376 N TRP A 122 -13.144 -10.148 -6.393 1.00 0.00 N ATOM 1377 CA TRP A 122 -14.241 -9.466 -5.724 1.00 0.00 C ATOM 1378 C TRP A 122 -15.561 -9.858 -6.377 1.00 0.00 C ATOM 1379 O TRP A 122 -15.886 -9.291 -7.444 1.00 0.00 O ATOM 1380 CB TRP A 122 -14.070 -7.948 -5.801 1.00 0.00 C ATOM 1381 CG TRP A 122 -13.083 -7.366 -4.832 1.00 0.00 C ATOM 1382 CD1 TRP A 122 -13.374 -6.704 -3.674 1.00 0.00 C ATOM 1383 CD2 TRP A 122 -11.655 -7.369 -4.942 1.00 0.00 C ATOM 1384 NE1 TRP A 122 -12.217 -6.284 -3.065 1.00 0.00 N ATOM 1385 CE2 TRP A 122 -11.146 -6.687 -3.821 1.00 0.00 C ATOM 1386 CE3 TRP A 122 -10.757 -7.886 -5.876 1.00 0.00 C ATOM 1387 CZ2 TRP A 122 -9.782 -6.501 -3.621 1.00 0.00 C ATOM 1388 CZ3 TRP A 122 -9.407 -7.704 -5.676 1.00 0.00 C ATOM 1389 CH2 TRP A 122 -8.928 -7.019 -4.556 1.00 0.00 C ATOM 1390 OXT TRP A 122 -16.258 -10.741 -5.839 1.00 0.00 O ATOM 0 H TRP A 122 -12.599 -9.555 -7.019 1.00 0.00 H new ATOM 0 HA TRP A 122 -14.241 -9.764 -4.675 1.00 0.00 H new ATOM 0 HB2 TRP A 122 -13.761 -7.684 -6.812 1.00 0.00 H new ATOM 0 HB3 TRP A 122 -15.040 -7.480 -5.632 1.00 0.00 H new ATOM 0 HD1 TRP A 122 -14.370 -6.535 -3.292 1.00 0.00 H new ATOM 0 HE1 TRP A 122 -12.163 -5.758 -2.193 1.00 0.00 H new ATOM 0 HE3 TRP A 122 -11.115 -8.421 -6.743 1.00 0.00 H new ATOM 0 HZ2 TRP A 122 -9.411 -5.967 -2.759 1.00 0.00 H new ATOM 0 HZ3 TRP A 122 -8.706 -8.097 -6.397 1.00 0.00 H new ATOM 0 HH2 TRP A 122 -7.863 -6.896 -4.426 1.00 0.00 H new TER 1401 TRP A 122