USER MOD reduce.3.24.130724 H: found=0, std=0, add=976, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 977 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 98 THR OG1 : rot -135:sc= 0.423 USER MOD Set 1.2: A 129 HIS : no HD1:sc= -0.295 K(o=0.13,f=-3.2) USER MOD Set 2.1: A 78 GLN :FLIP amide:sc= -3.1! C(o=-7.1!,f=-3.2!) USER MOD Set 2.2: A 81 GLN :FLIP amide:sc= -0.0621 F(o=-5.8!,f=-3.2) USER MOD Set 3.1: A 52 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 76 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 38 ASN : amide:sc= -0.599 X(o=-1.1,f=-0.62) USER MOD Set 4.2: A 41 ASN : amide:sc= -1.23 X(o=-1.1,f=-0.62) USER MOD Set 4.3: A 97 SER OG : rot 87:sc= 0.71 USER MOD Set 5.1: A 19 ASN :FLIP amide:sc= -2.54! C(o=-4.7!,f=-2.8!) USER MOD Set 5.2: A 102 TYR OH : rot -15:sc= -0.294 USER MOD Set 6.1: A 4 LYS NZ :NH3+ -166:sc= -0.0416 (180deg=-0.264) USER MOD Set 6.2: A 8 ASN : amide:sc= -1.57 K(o=-1.6,f=-5.9!) USER MOD Single : A 9 LYS NZ :NH3+ -141:sc= -0.028 (180deg=-0.37) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 93:sc= 1.31 USER MOD Single : A 20 LYS NZ :NH3+ 163:sc= -0.0853 (180deg=-0.39) USER MOD Single : A 21 ASN :FLIP amide:sc= -0.475 F(o=-4.2!,f=-0.47) USER MOD Single : A 22 LYS NZ :NH3+ -166:sc= -0.0303 (180deg=-0.259) USER MOD Single : A 30 SER OG : rot -160:sc= -0.352 USER MOD Single : A 33 GLN :FLIP amide:sc= -0.318 F(o=-2.6!,f=-0.32) USER MOD Single : A 34 TYR OH : rot 165:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot -113:sc= -0.0523 USER MOD Single : A 44 LYS NZ :NH3+ 166:sc= -0.0365 (180deg=-0.28) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 39:sc= 0.18 USER MOD Single : A 67 SER OG : rot -49:sc= -1.44 USER MOD Single : A 68 THR OG1 : rot -109:sc= -0.142 USER MOD Single : A 70 LYS NZ :NH3+ -168:sc= -0.0249 (180deg=-0.262) USER MOD Single : A 71 THR OG1 : rot 79:sc= 1.22 USER MOD Single : A 73 LYS NZ :NH3+ 147:sc= -1.95! (180deg=-3.68!) USER MOD Single : A 80 SER OG : rot -31:sc= 0.773 USER MOD Single : A 87 THR OG1 : rot 40:sc= -0.583 USER MOD Single : A 91 GLN : amide:sc= -0.533 K(o=-0.53,f=-1.9!) USER MOD Single : A 93 MET CE :methyl -160:sc= -6.05! (180deg=-6.77!) USER MOD Single : A 105 SER OG : rot -147:sc= 0.793 USER MOD Single : A 121 ASN :FLIP amide:sc= -0.0602 F(o=-0.59,f=-0.06) USER MOD Single : A 123 THR OG1 : rot 0:sc= -0.208 USER MOD Single : A 127 LYS NZ :NH3+ 161:sc= -0.0776 (180deg=-0.403) USER MOD Single : A 132 SER OG : rot -31:sc= 0.244 USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 SER OG : rot -44:sc= 0.941 USER MOD Single : A 137 SER OG : rot 98:sc= 0.0546 USER MOD ----------------------------------------------------------------- ATOM 59 N LYS A 4 -22.343 5.217 1.276 1.00 0.82 N ATOM 60 CA LYS A 4 -21.172 5.113 0.418 1.00 0.74 C ATOM 61 C LYS A 4 -20.058 4.372 1.141 1.00 0.69 C ATOM 62 O LYS A 4 -19.316 3.601 0.535 1.00 0.64 O ATOM 63 CB LYS A 4 -20.690 6.502 -0.006 1.00 0.74 C ATOM 64 CG LYS A 4 -19.485 6.469 -0.935 1.00 1.23 C ATOM 65 CD LYS A 4 -19.009 7.871 -1.283 1.00 1.54 C ATOM 66 CE LYS A 4 -17.803 7.834 -2.211 1.00 2.11 C ATOM 67 NZ LYS A 4 -16.648 7.128 -1.591 1.00 2.63 N ATOM 0 HA LYS A 4 -21.448 4.554 -0.476 1.00 0.74 H new ATOM 0 HB2 LYS A 4 -21.507 7.026 -0.502 1.00 0.74 H new ATOM 0 HB3 LYS A 4 -20.437 7.077 0.884 1.00 0.74 H new ATOM 0 HG2 LYS A 4 -18.674 5.916 -0.461 1.00 1.23 H new ATOM 0 HG3 LYS A 4 -19.744 5.934 -1.849 1.00 1.23 H new ATOM 0 HD2 LYS A 4 -19.819 8.424 -1.758 1.00 1.54 H new ATOM 0 HD3 LYS A 4 -18.751 8.406 -0.369 1.00 1.54 H new ATOM 0 HE2 LYS A 4 -18.076 7.336 -3.142 1.00 2.11 H new ATOM 0 HE3 LYS A 4 -17.511 8.852 -2.468 1.00 2.11 H new ATOM 0 HZ1 LYS A 4 -15.786 7.325 -2.139 1.00 2.63 H new ATOM 0 HZ2 LYS A 4 -16.521 7.462 -0.614 1.00 2.63 H new ATOM 0 HZ3 LYS A 4 -16.829 6.104 -1.586 1.00 2.63 H new ATOM 81 N ALA A 5 -19.958 4.610 2.446 1.00 0.73 N ATOM 82 CA ALA A 5 -18.941 3.968 3.267 1.00 0.73 C ATOM 83 C ALA A 5 -19.022 2.456 3.116 1.00 0.71 C ATOM 84 O ALA A 5 -18.029 1.791 2.813 1.00 0.64 O ATOM 85 CB ALA A 5 -19.114 4.366 4.725 1.00 0.82 C ATOM 0 H ALA A 5 -20.572 5.245 2.957 1.00 0.73 H new ATOM 0 HA ALA A 5 -17.958 4.299 2.931 1.00 0.73 H new ATOM 0 HB1 ALA A 5 -18.348 3.879 5.328 1.00 0.82 H new ATOM 0 HB2 ALA A 5 -19.019 5.448 4.821 1.00 0.82 H new ATOM 0 HB3 ALA A 5 -20.100 4.057 5.072 1.00 0.82 H new ATOM 91 N ASP A 6 -20.220 1.922 3.321 1.00 0.80 N ATOM 92 CA ASP A 6 -20.441 0.489 3.193 1.00 0.81 C ATOM 93 C ASP A 6 -20.282 0.059 1.746 1.00 0.75 C ATOM 94 O ASP A 6 -19.779 -1.030 1.470 1.00 0.74 O ATOM 95 CB ASP A 6 -21.828 0.105 3.713 1.00 0.90 C ATOM 96 CG ASP A 6 -21.967 0.319 5.208 1.00 1.65 C ATOM 97 OD1 ASP A 6 -21.477 -0.535 5.978 1.00 1.58 O ATOM 98 OD2 ASP A 6 -22.569 1.336 5.610 1.00 2.57 O ATOM 0 H ASP A 6 -21.050 2.458 3.576 1.00 0.80 H new ATOM 0 HA ASP A 6 -19.695 -0.028 3.796 1.00 0.81 H new ATOM 0 HB2 ASP A 6 -22.583 0.694 3.193 1.00 0.90 H new ATOM 0 HB3 ASP A 6 -22.023 -0.942 3.479 1.00 0.90 H new ATOM 103 N GLU A 7 -20.714 0.913 0.819 1.00 0.74 N ATOM 104 CA GLU A 7 -20.581 0.604 -0.598 1.00 0.71 C ATOM 105 C GLU A 7 -19.121 0.316 -0.916 1.00 0.63 C ATOM 106 O GLU A 7 -18.806 -0.508 -1.779 1.00 0.59 O ATOM 107 CB GLU A 7 -21.093 1.761 -1.461 1.00 0.72 C ATOM 108 CG GLU A 7 -22.588 1.704 -1.731 1.00 1.31 C ATOM 109 CD GLU A 7 -22.987 0.490 -2.546 1.00 1.58 C ATOM 110 OE1 GLU A 7 -22.981 0.583 -3.792 1.00 1.91 O ATOM 111 OE2 GLU A 7 -23.307 -0.554 -1.939 1.00 2.10 O ATOM 0 H GLU A 7 -21.153 1.811 1.022 1.00 0.74 H new ATOM 0 HA GLU A 7 -21.184 -0.275 -0.824 1.00 0.71 H new ATOM 0 HB2 GLU A 7 -20.857 2.704 -0.967 1.00 0.72 H new ATOM 0 HB3 GLU A 7 -20.560 1.757 -2.412 1.00 0.72 H new ATOM 0 HG2 GLU A 7 -23.125 1.693 -0.782 1.00 1.31 H new ATOM 0 HG3 GLU A 7 -22.893 2.608 -2.259 1.00 1.31 H new ATOM 118 N ASN A 8 -18.233 1.001 -0.200 1.00 0.61 N ATOM 119 CA ASN A 8 -16.802 0.824 -0.384 1.00 0.54 C ATOM 120 C ASN A 8 -16.353 -0.511 0.190 1.00 0.48 C ATOM 121 O ASN A 8 -15.494 -1.184 -0.377 1.00 0.39 O ATOM 122 CB ASN A 8 -16.029 1.954 0.294 1.00 0.62 C ATOM 123 CG ASN A 8 -16.602 3.319 -0.023 1.00 0.62 C ATOM 124 OD1 ASN A 8 -17.057 3.573 -1.138 1.00 1.40 O ATOM 125 ND2 ASN A 8 -16.591 4.203 0.967 1.00 0.55 N ATOM 0 H ASN A 8 -18.484 1.685 0.514 1.00 0.61 H new ATOM 0 HA ASN A 8 -16.595 0.842 -1.454 1.00 0.54 H new ATOM 0 HB2 ASN A 8 -16.039 1.801 1.373 1.00 0.62 H new ATOM 0 HB3 ASN A 8 -14.987 1.918 -0.023 1.00 0.62 H new ATOM 0 HD21 ASN A 8 -16.970 5.138 0.820 1.00 0.55 H new ATOM 0 HD22 ASN A 8 -16.203 3.947 1.875 1.00 0.55 H new ATOM 132 N LYS A 9 -16.929 -0.881 1.328 1.00 0.57 N ATOM 133 CA LYS A 9 -16.589 -2.140 1.979 1.00 0.57 C ATOM 134 C LYS A 9 -16.881 -3.333 1.070 1.00 0.48 C ATOM 135 O LYS A 9 -16.190 -4.349 1.132 1.00 0.44 O ATOM 136 CB LYS A 9 -17.366 -2.279 3.291 1.00 0.72 C ATOM 137 CG LYS A 9 -16.883 -3.415 4.180 1.00 0.86 C ATOM 138 CD LYS A 9 -17.629 -4.710 3.892 1.00 1.55 C ATOM 139 CE LYS A 9 -17.174 -5.829 4.815 1.00 1.84 C ATOM 140 NZ LYS A 9 -15.715 -6.096 4.686 1.00 2.67 N ATOM 0 H LYS A 9 -17.632 -0.328 1.818 1.00 0.57 H new ATOM 0 HA LYS A 9 -15.520 -2.131 2.191 1.00 0.57 H new ATOM 0 HB2 LYS A 9 -17.294 -1.343 3.845 1.00 0.72 H new ATOM 0 HB3 LYS A 9 -18.420 -2.434 3.062 1.00 0.72 H new ATOM 0 HG2 LYS A 9 -15.815 -3.568 4.027 1.00 0.86 H new ATOM 0 HG3 LYS A 9 -17.019 -3.142 5.226 1.00 0.86 H new ATOM 0 HD2 LYS A 9 -18.700 -4.549 4.013 1.00 1.55 H new ATOM 0 HD3 LYS A 9 -17.466 -5.003 2.855 1.00 1.55 H new ATOM 0 HE2 LYS A 9 -17.405 -5.565 5.847 1.00 1.84 H new ATOM 0 HE3 LYS A 9 -17.731 -6.738 4.586 1.00 1.84 H new ATOM 0 HZ1 LYS A 9 -15.544 -7.121 4.737 1.00 2.67 H new ATOM 0 HZ2 LYS A 9 -15.375 -5.733 3.773 1.00 2.67 H new ATOM 0 HZ3 LYS A 9 -15.206 -5.621 5.458 1.00 2.67 H new ATOM 154 N VAL A 10 -17.900 -3.206 0.222 1.00 0.48 N ATOM 155 CA VAL A 10 -18.275 -4.291 -0.684 1.00 0.44 C ATOM 156 C VAL A 10 -17.340 -4.378 -1.884 1.00 0.39 C ATOM 157 O VAL A 10 -16.784 -5.438 -2.166 1.00 0.37 O ATOM 158 CB VAL A 10 -19.712 -4.123 -1.204 1.00 0.51 C ATOM 159 CG1 VAL A 10 -20.182 -5.390 -1.903 1.00 1.27 C ATOM 160 CG2 VAL A 10 -20.654 -3.745 -0.071 1.00 1.15 C ATOM 0 H VAL A 10 -18.477 -2.369 0.143 1.00 0.48 H new ATOM 0 HA VAL A 10 -18.200 -5.208 -0.099 1.00 0.44 H new ATOM 0 HB VAL A 10 -19.720 -3.313 -1.933 1.00 0.51 H new ATOM 0 HG11 VAL A 10 -21.201 -5.250 -2.263 1.00 1.27 H new ATOM 0 HG12 VAL A 10 -19.525 -5.605 -2.746 1.00 1.27 H new ATOM 0 HG13 VAL A 10 -20.157 -6.224 -1.201 1.00 1.27 H new ATOM 0 HG21 VAL A 10 -21.665 -3.631 -0.461 1.00 1.15 H new ATOM 0 HG22 VAL A 10 -20.644 -4.528 0.687 1.00 1.15 H new ATOM 0 HG23 VAL A 10 -20.329 -2.805 0.374 1.00 1.15 H new ATOM 170 N LYS A 11 -17.167 -3.263 -2.592 1.00 0.38 N ATOM 171 CA LYS A 11 -16.297 -3.248 -3.762 1.00 0.37 C ATOM 172 C LYS A 11 -14.848 -3.479 -3.353 1.00 0.31 C ATOM 173 O LYS A 11 -14.043 -3.987 -4.134 1.00 0.30 O ATOM 174 CB LYS A 11 -16.437 -1.933 -4.535 1.00 0.40 C ATOM 175 CG LYS A 11 -16.185 -0.686 -3.704 1.00 0.39 C ATOM 176 CD LYS A 11 -16.403 0.573 -4.530 1.00 0.46 C ATOM 177 CE LYS A 11 -16.119 1.832 -3.725 1.00 1.37 C ATOM 178 NZ LYS A 11 -16.279 3.063 -4.547 1.00 1.69 N ATOM 0 H LYS A 11 -17.612 -2.370 -2.378 1.00 0.38 H new ATOM 0 HA LYS A 11 -16.604 -4.060 -4.422 1.00 0.37 H new ATOM 0 HB2 LYS A 11 -15.741 -1.943 -5.374 1.00 0.40 H new ATOM 0 HB3 LYS A 11 -17.441 -1.878 -4.955 1.00 0.40 H new ATOM 0 HG2 LYS A 11 -16.851 -0.679 -2.841 1.00 0.39 H new ATOM 0 HG3 LYS A 11 -15.165 -0.701 -3.319 1.00 0.39 H new ATOM 0 HD2 LYS A 11 -15.757 0.549 -5.407 1.00 0.46 H new ATOM 0 HD3 LYS A 11 -17.431 0.597 -4.892 1.00 0.46 H new ATOM 0 HE2 LYS A 11 -16.793 1.876 -2.870 1.00 1.37 H new ATOM 0 HE3 LYS A 11 -15.104 1.789 -3.329 1.00 1.37 H new ATOM 0 HZ1 LYS A 11 -16.077 3.899 -3.963 1.00 1.69 H new ATOM 0 HZ2 LYS A 11 -15.618 3.033 -5.349 1.00 1.69 H new ATOM 0 HZ3 LYS A 11 -17.254 3.118 -4.904 1.00 1.69 H new ATOM 192 N GLY A 12 -14.527 -3.100 -2.122 1.00 0.31 N ATOM 193 CA GLY A 12 -13.183 -3.290 -1.614 1.00 0.29 C ATOM 194 C GLY A 12 -12.929 -4.729 -1.221 1.00 0.27 C ATOM 195 O GLY A 12 -11.888 -5.298 -1.551 1.00 0.28 O ATOM 0 H GLY A 12 -15.175 -2.664 -1.466 1.00 0.31 H new ATOM 0 HA2 GLY A 12 -12.461 -2.988 -2.373 1.00 0.29 H new ATOM 0 HA3 GLY A 12 -13.026 -2.644 -0.750 1.00 0.29 H new ATOM 199 N GLU A 13 -13.892 -5.317 -0.517 1.00 0.26 N ATOM 200 CA GLU A 13 -13.786 -6.702 -0.075 1.00 0.26 C ATOM 201 C GLU A 13 -13.843 -7.654 -1.263 1.00 0.23 C ATOM 202 O GLU A 13 -13.189 -8.695 -1.265 1.00 0.23 O ATOM 203 CB GLU A 13 -14.910 -7.030 0.913 1.00 0.30 C ATOM 204 CG GLU A 13 -14.894 -8.468 1.409 1.00 1.16 C ATOM 205 CD GLU A 13 -13.634 -8.807 2.180 1.00 1.67 C ATOM 206 OE1 GLU A 13 -13.405 -8.192 3.244 1.00 1.95 O ATOM 207 OE2 GLU A 13 -12.875 -9.685 1.721 1.00 2.39 O ATOM 0 H GLU A 13 -14.757 -4.853 -0.240 1.00 0.26 H new ATOM 0 HA GLU A 13 -12.825 -6.829 0.424 1.00 0.26 H new ATOM 0 HB2 GLU A 13 -14.835 -6.360 1.769 1.00 0.30 H new ATOM 0 HB3 GLU A 13 -15.870 -6.831 0.436 1.00 0.30 H new ATOM 0 HG2 GLU A 13 -15.762 -8.638 2.046 1.00 1.16 H new ATOM 0 HG3 GLU A 13 -14.987 -9.143 0.558 1.00 1.16 H new ATOM 214 N ALA A 14 -14.626 -7.287 -2.273 1.00 0.22 N ATOM 215 CA ALA A 14 -14.766 -8.115 -3.466 1.00 0.21 C ATOM 216 C ALA A 14 -13.507 -8.068 -4.325 1.00 0.19 C ATOM 217 O ALA A 14 -13.061 -9.094 -4.839 1.00 0.23 O ATOM 218 CB ALA A 14 -15.977 -7.683 -4.277 1.00 0.23 C ATOM 0 H ALA A 14 -15.171 -6.425 -2.289 1.00 0.22 H new ATOM 0 HA ALA A 14 -14.912 -9.145 -3.140 1.00 0.21 H new ATOM 0 HB1 ALA A 14 -16.065 -8.312 -5.163 1.00 0.23 H new ATOM 0 HB2 ALA A 14 -16.876 -7.784 -3.670 1.00 0.23 H new ATOM 0 HB3 ALA A 14 -15.859 -6.643 -4.581 1.00 0.23 H new ATOM 224 N PHE A 15 -12.940 -6.875 -4.484 1.00 0.19 N ATOM 225 CA PHE A 15 -11.727 -6.712 -5.277 1.00 0.17 C ATOM 226 C PHE A 15 -10.602 -7.576 -4.716 1.00 0.15 C ATOM 227 O PHE A 15 -10.030 -8.399 -5.428 1.00 0.15 O ATOM 228 CB PHE A 15 -11.298 -5.238 -5.317 1.00 0.20 C ATOM 229 CG PHE A 15 -9.812 -5.038 -5.468 1.00 0.19 C ATOM 230 CD1 PHE A 15 -9.136 -5.522 -6.580 1.00 0.20 C ATOM 231 CD2 PHE A 15 -9.089 -4.375 -4.489 1.00 0.22 C ATOM 232 CE1 PHE A 15 -7.770 -5.347 -6.709 1.00 0.22 C ATOM 233 CE2 PHE A 15 -7.724 -4.199 -4.612 1.00 0.23 C ATOM 234 CZ PHE A 15 -7.064 -4.687 -5.722 1.00 0.21 C ATOM 0 H PHE A 15 -13.299 -6.012 -4.076 1.00 0.19 H new ATOM 0 HA PHE A 15 -11.940 -7.036 -6.296 1.00 0.17 H new ATOM 0 HB2 PHE A 15 -11.807 -4.744 -6.145 1.00 0.20 H new ATOM 0 HB3 PHE A 15 -11.629 -4.748 -4.401 1.00 0.20 H new ATOM 0 HD1 PHE A 15 -9.683 -6.041 -7.353 1.00 0.20 H new ATOM 0 HD2 PHE A 15 -9.599 -3.991 -3.618 1.00 0.22 H new ATOM 0 HE1 PHE A 15 -7.256 -5.726 -7.580 1.00 0.22 H new ATOM 0 HE2 PHE A 15 -7.174 -3.680 -3.841 1.00 0.23 H new ATOM 0 HZ PHE A 15 -5.997 -4.553 -5.819 1.00 0.21 H new ATOM 244 N LEU A 16 -10.291 -7.380 -3.439 1.00 0.16 N ATOM 245 CA LEU A 16 -9.234 -8.143 -2.788 1.00 0.18 C ATOM 246 C LEU A 16 -9.552 -9.637 -2.826 1.00 0.18 C ATOM 247 O LEU A 16 -8.652 -10.475 -2.923 1.00 0.19 O ATOM 248 CB LEU A 16 -9.040 -7.652 -1.348 1.00 0.24 C ATOM 249 CG LEU A 16 -10.212 -7.908 -0.395 1.00 0.40 C ATOM 250 CD1 LEU A 16 -10.084 -9.275 0.261 1.00 0.53 C ATOM 251 CD2 LEU A 16 -10.283 -6.817 0.662 1.00 0.55 C ATOM 0 H LEU A 16 -10.755 -6.701 -2.836 1.00 0.16 H new ATOM 0 HA LEU A 16 -8.300 -7.988 -3.329 1.00 0.18 H new ATOM 0 HB2 LEU A 16 -8.151 -8.130 -0.937 1.00 0.24 H new ATOM 0 HB3 LEU A 16 -8.843 -6.580 -1.373 1.00 0.24 H new ATOM 0 HG LEU A 16 -11.135 -7.892 -0.975 1.00 0.40 H new ATOM 0 HD11 LEU A 16 -10.926 -9.436 0.934 1.00 0.53 H new ATOM 0 HD12 LEU A 16 -10.080 -10.048 -0.507 1.00 0.53 H new ATOM 0 HD13 LEU A 16 -9.154 -9.321 0.827 1.00 0.53 H new ATOM 0 HD21 LEU A 16 -11.121 -7.013 1.331 1.00 0.55 H new ATOM 0 HD22 LEU A 16 -9.356 -6.805 1.235 1.00 0.55 H new ATOM 0 HD23 LEU A 16 -10.424 -5.850 0.178 1.00 0.55 H new ATOM 263 N THR A 17 -10.842 -9.961 -2.758 1.00 0.19 N ATOM 264 CA THR A 17 -11.288 -11.349 -2.804 1.00 0.20 C ATOM 265 C THR A 17 -10.811 -12.013 -4.091 1.00 0.21 C ATOM 266 O THR A 17 -10.264 -13.114 -4.069 1.00 0.22 O ATOM 267 CB THR A 17 -12.825 -11.444 -2.702 1.00 0.22 C ATOM 268 OG1 THR A 17 -13.236 -11.272 -1.342 1.00 0.24 O ATOM 269 CG2 THR A 17 -13.339 -12.780 -3.223 1.00 0.27 C ATOM 0 H THR A 17 -11.596 -9.279 -2.671 1.00 0.19 H new ATOM 0 HA THR A 17 -10.856 -11.869 -1.949 1.00 0.20 H new ATOM 0 HB THR A 17 -13.248 -10.652 -3.320 1.00 0.22 H new ATOM 0 HG1 THR A 17 -13.442 -10.328 -1.180 1.00 0.24 H new ATOM 0 HG21 THR A 17 -14.425 -12.811 -3.136 1.00 0.27 H new ATOM 0 HG22 THR A 17 -13.056 -12.896 -4.269 1.00 0.27 H new ATOM 0 HG23 THR A 17 -12.905 -13.590 -2.638 1.00 0.27 H new ATOM 277 N GLU A 18 -11.034 -11.335 -5.212 1.00 0.21 N ATOM 278 CA GLU A 18 -10.611 -11.845 -6.510 1.00 0.22 C ATOM 279 C GLU A 18 -9.098 -11.719 -6.653 1.00 0.21 C ATOM 280 O GLU A 18 -8.451 -12.534 -7.312 1.00 0.24 O ATOM 281 CB GLU A 18 -11.314 -11.087 -7.639 1.00 0.23 C ATOM 282 CG GLU A 18 -10.986 -11.620 -9.025 1.00 1.25 C ATOM 283 CD GLU A 18 -11.806 -10.958 -10.116 1.00 1.71 C ATOM 284 OE1 GLU A 18 -12.939 -11.417 -10.368 1.00 2.47 O ATOM 285 OE2 GLU A 18 -11.313 -9.980 -10.716 1.00 2.02 O ATOM 0 H GLU A 18 -11.505 -10.431 -5.247 1.00 0.21 H new ATOM 0 HA GLU A 18 -10.886 -12.898 -6.577 1.00 0.22 H new ATOM 0 HB2 GLU A 18 -12.392 -11.139 -7.484 1.00 0.23 H new ATOM 0 HB3 GLU A 18 -11.035 -10.035 -7.588 1.00 0.23 H new ATOM 0 HG2 GLU A 18 -9.926 -11.465 -9.228 1.00 1.25 H new ATOM 0 HG3 GLU A 18 -11.161 -12.696 -9.047 1.00 1.25 H new ATOM 292 N ASN A 19 -8.550 -10.681 -6.027 1.00 0.19 N ATOM 293 CA ASN A 19 -7.116 -10.414 -6.060 1.00 0.19 C ATOM 294 C ASN A 19 -6.311 -11.631 -5.616 1.00 0.21 C ATOM 295 O ASN A 19 -5.188 -11.840 -6.071 1.00 0.22 O ATOM 296 CB ASN A 19 -6.785 -9.229 -5.153 1.00 0.17 C ATOM 297 CG ASN A 19 -5.364 -9.293 -4.640 1.00 0.16 C ATOM 298 OD1 ASN A 19 -5.142 -10.133 -3.633 1.00 0.22 O flip ATOM 299 ND2 ASN A 19 -4.480 -8.611 -5.150 1.00 0.18 N flip ATOM 0 H ASN A 19 -9.086 -10.004 -5.484 1.00 0.19 H new ATOM 0 HA ASN A 19 -6.845 -10.181 -7.090 1.00 0.19 H new ATOM 0 HB2 ASN A 19 -6.931 -8.299 -5.702 1.00 0.17 H new ATOM 0 HB3 ASN A 19 -7.475 -9.213 -4.310 1.00 0.17 H new ATOM 0 HD21 ASN A 19 -4.702 -7.981 -5.921 1.00 0.18 H new ATOM 0 HD22 ASN A 19 -3.523 -8.674 -4.803 1.00 0.18 H new ATOM 306 N LYS A 20 -6.883 -12.405 -4.700 1.00 0.23 N ATOM 307 CA LYS A 20 -6.238 -13.609 -4.170 1.00 0.26 C ATOM 308 C LYS A 20 -5.590 -14.455 -5.271 1.00 0.27 C ATOM 309 O LYS A 20 -4.714 -15.276 -4.995 1.00 0.29 O ATOM 310 CB LYS A 20 -7.259 -14.457 -3.409 1.00 0.29 C ATOM 311 CG LYS A 20 -7.975 -13.706 -2.296 1.00 1.04 C ATOM 312 CD LYS A 20 -7.025 -13.317 -1.175 1.00 1.41 C ATOM 313 CE LYS A 20 -7.770 -12.657 -0.024 1.00 1.75 C ATOM 314 NZ LYS A 20 -8.789 -13.566 0.570 1.00 2.45 N ATOM 0 H LYS A 20 -7.804 -12.219 -4.303 1.00 0.23 H new ATOM 0 HA LYS A 20 -5.447 -13.280 -3.496 1.00 0.26 H new ATOM 0 HB2 LYS A 20 -7.999 -14.836 -4.113 1.00 0.29 H new ATOM 0 HB3 LYS A 20 -6.752 -15.323 -2.983 1.00 0.29 H new ATOM 0 HG2 LYS A 20 -8.442 -12.810 -2.704 1.00 1.04 H new ATOM 0 HG3 LYS A 20 -8.775 -14.328 -1.895 1.00 1.04 H new ATOM 0 HD2 LYS A 20 -6.504 -14.203 -0.813 1.00 1.41 H new ATOM 0 HD3 LYS A 20 -6.266 -12.635 -1.559 1.00 1.41 H new ATOM 0 HE2 LYS A 20 -7.058 -12.357 0.745 1.00 1.75 H new ATOM 0 HE3 LYS A 20 -8.257 -11.749 -0.379 1.00 1.75 H new ATOM 0 HZ1 LYS A 20 -9.068 -13.210 1.507 1.00 2.45 H new ATOM 0 HZ2 LYS A 20 -9.624 -13.603 -0.049 1.00 2.45 H new ATOM 0 HZ3 LYS A 20 -8.388 -14.520 0.668 1.00 2.45 H new ATOM 328 N ASN A 21 -6.023 -14.256 -6.511 1.00 0.27 N ATOM 329 CA ASN A 21 -5.501 -15.021 -7.641 1.00 0.30 C ATOM 330 C ASN A 21 -4.043 -14.672 -7.944 1.00 0.28 C ATOM 331 O ASN A 21 -3.274 -15.528 -8.384 1.00 0.31 O ATOM 332 CB ASN A 21 -6.361 -14.779 -8.880 1.00 0.33 C ATOM 333 CG ASN A 21 -7.757 -15.349 -8.729 1.00 0.35 C ATOM 334 OD1 ASN A 21 -8.288 -15.307 -7.510 1.00 0.40 O flip ATOM 335 ND2 ASN A 21 -8.357 -15.816 -9.697 1.00 0.34 N flip ATOM 0 H ASN A 21 -6.736 -13.570 -6.761 1.00 0.27 H new ATOM 0 HA ASN A 21 -5.539 -16.076 -7.368 1.00 0.30 H new ATOM 0 HB2 ASN A 21 -6.427 -13.708 -9.071 1.00 0.33 H new ATOM 0 HB3 ASN A 21 -5.879 -15.229 -9.748 1.00 0.33 H new ATOM 0 HD21 ASN A 21 -7.912 -15.829 -10.615 1.00 0.34 H new ATOM 0 HD22 ASN A 21 -9.299 -16.190 -9.581 1.00 0.34 H new ATOM 342 N LYS A 22 -3.670 -13.416 -7.717 1.00 0.25 N ATOM 343 CA LYS A 22 -2.305 -12.963 -7.969 1.00 0.24 C ATOM 344 C LYS A 22 -1.292 -13.844 -7.238 1.00 0.24 C ATOM 345 O LYS A 22 -1.316 -13.935 -6.010 1.00 0.23 O ATOM 346 CB LYS A 22 -2.147 -11.507 -7.528 1.00 0.26 C ATOM 347 CG LYS A 22 -3.047 -10.548 -8.290 1.00 0.41 C ATOM 348 CD LYS A 22 -2.898 -9.122 -7.786 1.00 1.16 C ATOM 349 CE LYS A 22 -3.815 -8.168 -8.535 1.00 1.03 C ATOM 350 NZ LYS A 22 -3.568 -8.193 -10.004 1.00 1.40 N ATOM 0 H LYS A 22 -4.294 -12.693 -7.359 1.00 0.25 H new ATOM 0 HA LYS A 22 -2.113 -13.037 -9.039 1.00 0.24 H new ATOM 0 HB2 LYS A 22 -2.366 -11.431 -6.463 1.00 0.26 H new ATOM 0 HB3 LYS A 22 -1.109 -11.204 -7.662 1.00 0.26 H new ATOM 0 HG2 LYS A 22 -2.804 -10.586 -9.352 1.00 0.41 H new ATOM 0 HG3 LYS A 22 -4.085 -10.864 -8.188 1.00 0.41 H new ATOM 0 HD2 LYS A 22 -3.125 -9.086 -6.721 1.00 1.16 H new ATOM 0 HD3 LYS A 22 -1.863 -8.800 -7.902 1.00 1.16 H new ATOM 0 HE2 LYS A 22 -4.854 -8.434 -8.338 1.00 1.03 H new ATOM 0 HE3 LYS A 22 -3.668 -7.155 -8.160 1.00 1.03 H new ATOM 0 HZ1 LYS A 22 -4.033 -7.375 -10.448 1.00 1.40 H new ATOM 0 HZ2 LYS A 22 -2.545 -8.150 -10.185 1.00 1.40 H new ATOM 0 HZ3 LYS A 22 -3.954 -9.071 -10.406 1.00 1.40 H new ATOM 364 N PRO A 23 -0.387 -14.512 -7.983 1.00 0.29 N ATOM 365 CA PRO A 23 0.630 -15.386 -7.389 1.00 0.33 C ATOM 366 C PRO A 23 1.508 -14.650 -6.384 1.00 0.33 C ATOM 367 O PRO A 23 1.847 -13.483 -6.579 1.00 0.34 O ATOM 368 CB PRO A 23 1.465 -15.849 -8.588 1.00 0.42 C ATOM 369 CG PRO A 23 0.583 -15.654 -9.773 1.00 0.65 C ATOM 370 CD PRO A 23 -0.276 -14.465 -9.453 1.00 0.35 C ATOM 0 HA PRO A 23 0.178 -16.207 -6.831 1.00 0.33 H new ATOM 0 HB2 PRO A 23 2.382 -15.266 -8.679 1.00 0.42 H new ATOM 0 HB3 PRO A 23 1.760 -16.893 -8.483 1.00 0.42 H new ATOM 0 HG2 PRO A 23 1.171 -15.480 -10.674 1.00 0.65 H new ATOM 0 HG3 PRO A 23 -0.027 -16.539 -9.956 1.00 0.65 H new ATOM 0 HD2 PRO A 23 0.181 -13.536 -9.792 1.00 0.35 H new ATOM 0 HD3 PRO A 23 -1.252 -14.534 -9.932 1.00 0.35 H new ATOM 378 N GLY A 24 1.874 -15.340 -5.309 1.00 0.34 N ATOM 379 CA GLY A 24 2.717 -14.739 -4.293 1.00 0.37 C ATOM 380 C GLY A 24 1.935 -13.983 -3.237 1.00 0.33 C ATOM 381 O GLY A 24 2.522 -13.445 -2.298 1.00 0.36 O ATOM 0 H GLY A 24 1.602 -16.305 -5.123 1.00 0.34 H new ATOM 0 HA2 GLY A 24 3.306 -15.519 -3.811 1.00 0.37 H new ATOM 0 HA3 GLY A 24 3.421 -14.058 -4.771 1.00 0.37 H new ATOM 385 N VAL A 25 0.612 -13.933 -3.382 1.00 0.29 N ATOM 386 CA VAL A 25 -0.223 -13.233 -2.412 1.00 0.29 C ATOM 387 C VAL A 25 -0.083 -13.863 -1.031 1.00 0.26 C ATOM 388 O VAL A 25 -0.525 -14.988 -0.795 1.00 0.31 O ATOM 389 CB VAL A 25 -1.712 -13.207 -2.830 1.00 0.35 C ATOM 390 CG1 VAL A 25 -2.222 -14.604 -3.143 1.00 0.91 C ATOM 391 CG2 VAL A 25 -2.559 -12.554 -1.745 1.00 0.81 C ATOM 0 H VAL A 25 0.101 -14.364 -4.153 1.00 0.29 H new ATOM 0 HA VAL A 25 0.128 -12.202 -2.378 1.00 0.29 H new ATOM 0 HB VAL A 25 -1.795 -12.612 -3.740 1.00 0.35 H new ATOM 0 HG11 VAL A 25 -3.271 -14.552 -3.433 1.00 0.91 H new ATOM 0 HG12 VAL A 25 -1.640 -15.029 -3.961 1.00 0.91 H new ATOM 0 HG13 VAL A 25 -2.121 -15.235 -2.260 1.00 0.91 H new ATOM 0 HG21 VAL A 25 -3.604 -12.544 -2.056 1.00 0.81 H new ATOM 0 HG22 VAL A 25 -2.461 -13.119 -0.818 1.00 0.81 H new ATOM 0 HG23 VAL A 25 -2.219 -11.531 -1.584 1.00 0.81 H new ATOM 401 N VAL A 26 0.548 -13.129 -0.121 1.00 0.24 N ATOM 402 CA VAL A 26 0.766 -13.613 1.235 1.00 0.27 C ATOM 403 C VAL A 26 0.327 -12.584 2.274 1.00 0.25 C ATOM 404 O VAL A 26 0.680 -11.409 2.187 1.00 0.25 O ATOM 405 CB VAL A 26 2.251 -13.958 1.457 1.00 0.31 C ATOM 406 CG1 VAL A 26 3.121 -12.729 1.248 1.00 0.77 C ATOM 407 CG2 VAL A 26 2.468 -14.545 2.844 1.00 1.03 C ATOM 0 H VAL A 26 0.918 -12.195 -0.299 1.00 0.24 H new ATOM 0 HA VAL A 26 0.161 -14.512 1.357 1.00 0.27 H new ATOM 0 HB VAL A 26 2.541 -14.711 0.724 1.00 0.31 H new ATOM 0 HG11 VAL A 26 4.167 -12.992 1.409 1.00 0.77 H new ATOM 0 HG12 VAL A 26 2.992 -12.361 0.230 1.00 0.77 H new ATOM 0 HG13 VAL A 26 2.829 -11.952 1.955 1.00 0.77 H new ATOM 0 HG21 VAL A 26 3.524 -14.781 2.978 1.00 1.03 H new ATOM 0 HG22 VAL A 26 2.159 -13.821 3.598 1.00 1.03 H new ATOM 0 HG23 VAL A 26 1.877 -15.454 2.951 1.00 1.03 H new ATOM 417 N VAL A 27 -0.454 -13.033 3.251 1.00 0.29 N ATOM 418 CA VAL A 27 -0.924 -12.153 4.312 1.00 0.29 C ATOM 419 C VAL A 27 0.133 -12.006 5.405 1.00 0.31 C ATOM 420 O VAL A 27 0.780 -12.981 5.791 1.00 0.35 O ATOM 421 CB VAL A 27 -2.241 -12.662 4.934 1.00 0.35 C ATOM 422 CG1 VAL A 27 -2.052 -14.041 5.549 1.00 0.71 C ATOM 423 CG2 VAL A 27 -2.758 -11.675 5.971 1.00 0.91 C ATOM 0 H VAL A 27 -0.774 -13.999 3.329 1.00 0.29 H new ATOM 0 HA VAL A 27 -1.111 -11.180 3.859 1.00 0.29 H new ATOM 0 HB VAL A 27 -2.983 -12.746 4.140 1.00 0.35 H new ATOM 0 HG11 VAL A 27 -2.994 -14.379 5.981 1.00 0.71 H new ATOM 0 HG12 VAL A 27 -1.734 -14.743 4.778 1.00 0.71 H new ATOM 0 HG13 VAL A 27 -1.292 -13.990 6.329 1.00 0.71 H new ATOM 0 HG21 VAL A 27 -3.687 -12.050 6.399 1.00 0.91 H new ATOM 0 HG22 VAL A 27 -2.017 -11.556 6.761 1.00 0.91 H new ATOM 0 HG23 VAL A 27 -2.941 -10.711 5.496 1.00 0.91 H new ATOM 433 N LEU A 28 0.304 -10.783 5.897 1.00 0.32 N ATOM 434 CA LEU A 28 1.286 -10.505 6.942 1.00 0.36 C ATOM 435 C LEU A 28 0.625 -10.515 8.322 1.00 0.40 C ATOM 436 O LEU A 28 -0.602 -10.534 8.417 1.00 0.38 O ATOM 437 CB LEU A 28 1.959 -9.147 6.683 1.00 0.35 C ATOM 438 CG LEU A 28 2.767 -9.052 5.386 1.00 0.33 C ATOM 439 CD1 LEU A 28 3.505 -7.724 5.318 1.00 0.37 C ATOM 440 CD2 LEU A 28 3.748 -10.212 5.274 1.00 0.38 C ATOM 0 H LEU A 28 -0.225 -9.967 5.589 1.00 0.32 H new ATOM 0 HA LEU A 28 2.045 -11.287 6.921 1.00 0.36 H new ATOM 0 HB2 LEU A 28 1.189 -8.376 6.669 1.00 0.35 H new ATOM 0 HB3 LEU A 28 2.620 -8.922 7.520 1.00 0.35 H new ATOM 0 HG LEU A 28 2.074 -9.109 4.546 1.00 0.33 H new ATOM 0 HD11 LEU A 28 4.075 -7.672 4.390 1.00 0.37 H new ATOM 0 HD12 LEU A 28 2.785 -6.906 5.349 1.00 0.37 H new ATOM 0 HD13 LEU A 28 4.184 -7.641 6.166 1.00 0.37 H new ATOM 0 HD21 LEU A 28 4.311 -10.124 4.345 1.00 0.38 H new ATOM 0 HD22 LEU A 28 4.436 -10.189 6.119 1.00 0.38 H new ATOM 0 HD23 LEU A 28 3.200 -11.154 5.278 1.00 0.38 H new ATOM 452 N PRO A 29 1.420 -10.533 9.411 1.00 0.46 N ATOM 453 CA PRO A 29 0.877 -10.531 10.773 1.00 0.51 C ATOM 454 C PRO A 29 -0.145 -9.416 10.987 1.00 0.47 C ATOM 455 O PRO A 29 -1.084 -9.565 11.770 1.00 0.49 O ATOM 456 CB PRO A 29 2.111 -10.296 11.646 1.00 0.59 C ATOM 457 CG PRO A 29 3.245 -10.838 10.848 1.00 0.59 C ATOM 458 CD PRO A 29 2.898 -10.583 9.407 1.00 0.50 C ATOM 0 HA PRO A 29 0.345 -11.455 11.001 1.00 0.51 H new ATOM 0 HB2 PRO A 29 2.248 -9.236 11.861 1.00 0.59 H new ATOM 0 HB3 PRO A 29 2.021 -10.807 12.605 1.00 0.59 H new ATOM 0 HG2 PRO A 29 4.181 -10.347 11.117 1.00 0.59 H new ATOM 0 HG3 PRO A 29 3.379 -11.904 11.034 1.00 0.59 H new ATOM 0 HD2 PRO A 29 3.330 -9.648 9.050 1.00 0.50 H new ATOM 0 HD3 PRO A 29 3.271 -11.375 8.758 1.00 0.50 H new ATOM 466 N SER A 30 0.040 -8.304 10.280 1.00 0.43 N ATOM 467 CA SER A 30 -0.862 -7.163 10.403 1.00 0.41 C ATOM 468 C SER A 30 -2.031 -7.256 9.423 1.00 0.36 C ATOM 469 O SER A 30 -2.976 -6.472 9.508 1.00 0.36 O ATOM 470 CB SER A 30 -0.098 -5.855 10.199 1.00 0.43 C ATOM 471 OG SER A 30 0.717 -5.563 11.320 1.00 1.14 O ATOM 0 H SER A 30 0.804 -8.169 9.618 1.00 0.43 H new ATOM 0 HA SER A 30 -1.276 -7.179 11.411 1.00 0.41 H new ATOM 0 HB2 SER A 30 0.520 -5.927 9.304 1.00 0.43 H new ATOM 0 HB3 SER A 30 -0.803 -5.040 10.035 1.00 0.43 H new ATOM 0 HG SER A 30 0.941 -4.609 11.322 1.00 1.14 H new ATOM 477 N GLY A 31 -1.971 -8.210 8.495 1.00 0.34 N ATOM 478 CA GLY A 31 -3.058 -8.379 7.541 1.00 0.31 C ATOM 479 C GLY A 31 -2.744 -7.838 6.160 1.00 0.27 C ATOM 480 O GLY A 31 -3.645 -7.648 5.343 1.00 0.30 O ATOM 0 H GLY A 31 -1.196 -8.864 8.386 1.00 0.34 H new ATOM 0 HA2 GLY A 31 -3.298 -9.439 7.461 1.00 0.31 H new ATOM 0 HA3 GLY A 31 -3.947 -7.879 7.924 1.00 0.31 H new ATOM 484 N LEU A 32 -1.469 -7.588 5.894 1.00 0.25 N ATOM 485 CA LEU A 32 -1.049 -7.047 4.606 1.00 0.25 C ATOM 486 C LEU A 32 -0.897 -8.139 3.552 1.00 0.22 C ATOM 487 O LEU A 32 -0.298 -9.182 3.803 1.00 0.23 O ATOM 488 CB LEU A 32 0.284 -6.314 4.763 1.00 0.35 C ATOM 489 CG LEU A 32 0.226 -4.990 5.522 1.00 0.44 C ATOM 490 CD1 LEU A 32 -0.559 -3.962 4.729 1.00 1.19 C ATOM 491 CD2 LEU A 32 -0.384 -5.177 6.902 1.00 1.35 C ATOM 0 H LEU A 32 -0.707 -7.751 6.552 1.00 0.25 H new ATOM 0 HA LEU A 32 -1.824 -6.358 4.272 1.00 0.25 H new ATOM 0 HB2 LEU A 32 0.983 -6.975 5.275 1.00 0.35 H new ATOM 0 HB3 LEU A 32 0.693 -6.125 3.770 1.00 0.35 H new ATOM 0 HG LEU A 32 1.246 -4.628 5.652 1.00 0.44 H new ATOM 0 HD11 LEU A 32 -0.592 -3.023 5.282 1.00 1.19 H new ATOM 0 HD12 LEU A 32 -0.075 -3.799 3.766 1.00 1.19 H new ATOM 0 HD13 LEU A 32 -1.574 -4.324 4.568 1.00 1.19 H new ATOM 0 HD21 LEU A 32 -0.413 -4.218 7.420 1.00 1.35 H new ATOM 0 HD22 LEU A 32 -1.397 -5.566 6.802 1.00 1.35 H new ATOM 0 HD23 LEU A 32 0.220 -5.881 7.475 1.00 1.35 H new ATOM 503 N GLN A 33 -1.433 -7.877 2.367 1.00 0.23 N ATOM 504 CA GLN A 33 -1.343 -8.814 1.254 1.00 0.22 C ATOM 505 C GLN A 33 -0.735 -8.107 0.049 1.00 0.21 C ATOM 506 O GLN A 33 -1.064 -6.952 -0.224 1.00 0.21 O ATOM 507 CB GLN A 33 -2.723 -9.373 0.905 1.00 0.26 C ATOM 508 CG GLN A 33 -3.415 -10.061 2.071 1.00 0.33 C ATOM 509 CD GLN A 33 -4.726 -10.710 1.670 1.00 0.98 C ATOM 510 OE1 GLN A 33 -4.662 -11.980 1.284 1.00 1.75 O flip ATOM 511 NE2 GLN A 33 -5.782 -10.081 1.709 1.00 1.69 N flip ATOM 0 H GLN A 33 -1.938 -7.017 2.151 1.00 0.23 H new ATOM 0 HA GLN A 33 -0.706 -9.650 1.542 1.00 0.22 H new ATOM 0 HB2 GLN A 33 -3.355 -8.560 0.547 1.00 0.26 H new ATOM 0 HB3 GLN A 33 -2.621 -10.083 0.084 1.00 0.26 H new ATOM 0 HG2 GLN A 33 -2.751 -10.819 2.487 1.00 0.33 H new ATOM 0 HG3 GLN A 33 -3.601 -9.332 2.860 1.00 0.33 H new ATOM 0 HE21 GLN A 33 -5.785 -9.107 2.012 1.00 1.69 H new ATOM 0 HE22 GLN A 33 -6.655 -10.533 1.438 1.00 1.69 H new ATOM 520 N TYR A 34 0.149 -8.790 -0.670 1.00 0.20 N ATOM 521 CA TYR A 34 0.803 -8.175 -1.822 1.00 0.19 C ATOM 522 C TYR A 34 1.194 -9.188 -2.888 1.00 0.18 C ATOM 523 O TYR A 34 1.035 -10.394 -2.713 1.00 0.19 O ATOM 524 CB TYR A 34 2.048 -7.418 -1.362 1.00 0.19 C ATOM 525 CG TYR A 34 3.003 -8.254 -0.537 1.00 0.19 C ATOM 526 CD1 TYR A 34 3.897 -9.132 -1.141 1.00 0.25 C ATOM 527 CD2 TYR A 34 3.011 -8.165 0.849 1.00 0.31 C ATOM 528 CE1 TYR A 34 4.767 -9.893 -0.389 1.00 0.30 C ATOM 529 CE2 TYR A 34 3.878 -8.923 1.606 1.00 0.32 C ATOM 530 CZ TYR A 34 4.755 -9.786 0.985 1.00 0.26 C ATOM 531 OH TYR A 34 5.622 -10.543 1.739 1.00 0.31 O ATOM 0 H TYR A 34 0.427 -9.753 -0.481 1.00 0.20 H new ATOM 0 HA TYR A 34 0.082 -7.492 -2.272 1.00 0.19 H new ATOM 0 HB2 TYR A 34 2.575 -7.039 -2.238 1.00 0.19 H new ATOM 0 HB3 TYR A 34 1.739 -6.552 -0.776 1.00 0.19 H new ATOM 0 HD1 TYR A 34 3.910 -9.219 -2.217 1.00 0.25 H new ATOM 0 HD2 TYR A 34 2.326 -7.491 1.342 1.00 0.31 H new ATOM 0 HE1 TYR A 34 5.455 -10.570 -0.874 1.00 0.30 H new ATOM 0 HE2 TYR A 34 3.870 -8.841 2.683 1.00 0.32 H new ATOM 0 HH TYR A 34 5.660 -10.186 2.651 1.00 0.31 H new ATOM 541 N LYS A 35 1.713 -8.671 -3.998 1.00 0.18 N ATOM 542 CA LYS A 35 2.163 -9.504 -5.106 1.00 0.20 C ATOM 543 C LYS A 35 3.646 -9.237 -5.365 1.00 0.18 C ATOM 544 O LYS A 35 4.039 -8.126 -5.720 1.00 0.19 O ATOM 545 CB LYS A 35 1.338 -9.200 -6.361 1.00 0.27 C ATOM 546 CG LYS A 35 1.531 -10.206 -7.489 1.00 0.35 C ATOM 547 CD LYS A 35 0.909 -9.715 -8.787 1.00 0.99 C ATOM 548 CE LYS A 35 1.626 -8.482 -9.323 1.00 1.58 C ATOM 549 NZ LYS A 35 1.017 -7.997 -10.592 1.00 2.15 N ATOM 0 H LYS A 35 1.832 -7.670 -4.153 1.00 0.18 H new ATOM 0 HA LYS A 35 2.026 -10.555 -4.852 1.00 0.20 H new ATOM 0 HB2 LYS A 35 0.282 -9.171 -6.091 1.00 0.27 H new ATOM 0 HB3 LYS A 35 1.602 -8.207 -6.725 1.00 0.27 H new ATOM 0 HG2 LYS A 35 2.596 -10.385 -7.640 1.00 0.35 H new ATOM 0 HG3 LYS A 35 1.084 -11.159 -7.208 1.00 0.35 H new ATOM 0 HD2 LYS A 35 0.945 -10.510 -9.532 1.00 0.99 H new ATOM 0 HD3 LYS A 35 -0.143 -9.481 -8.621 1.00 0.99 H new ATOM 0 HE2 LYS A 35 1.592 -7.688 -8.577 1.00 1.58 H new ATOM 0 HE3 LYS A 35 2.677 -8.717 -9.491 1.00 1.58 H new ATOM 0 HZ1 LYS A 35 1.532 -7.157 -10.925 1.00 2.15 H new ATOM 0 HZ2 LYS A 35 1.072 -8.746 -11.312 1.00 2.15 H new ATOM 0 HZ3 LYS A 35 0.021 -7.749 -10.426 1.00 2.15 H new ATOM 563 N VAL A 36 4.460 -10.274 -5.182 1.00 0.19 N ATOM 564 CA VAL A 36 5.910 -10.171 -5.340 1.00 0.19 C ATOM 565 C VAL A 36 6.351 -10.045 -6.795 1.00 0.22 C ATOM 566 O VAL A 36 5.986 -10.858 -7.644 1.00 0.28 O ATOM 567 CB VAL A 36 6.623 -11.386 -4.715 1.00 0.25 C ATOM 568 CG1 VAL A 36 8.133 -11.201 -4.755 1.00 0.26 C ATOM 569 CG2 VAL A 36 6.145 -11.609 -3.288 1.00 0.30 C ATOM 0 H VAL A 36 4.136 -11.205 -4.921 1.00 0.19 H new ATOM 0 HA VAL A 36 6.193 -9.255 -4.821 1.00 0.19 H new ATOM 0 HB VAL A 36 6.373 -12.270 -5.301 1.00 0.25 H new ATOM 0 HG11 VAL A 36 8.618 -12.069 -4.309 1.00 0.26 H new ATOM 0 HG12 VAL A 36 8.459 -11.095 -5.790 1.00 0.26 H new ATOM 0 HG13 VAL A 36 8.405 -10.306 -4.195 1.00 0.26 H new ATOM 0 HG21 VAL A 36 6.659 -12.471 -2.863 1.00 0.30 H new ATOM 0 HG22 VAL A 36 6.363 -10.725 -2.689 1.00 0.30 H new ATOM 0 HG23 VAL A 36 5.070 -11.791 -3.289 1.00 0.30 H new ATOM 579 N ILE A 37 7.142 -9.006 -7.065 1.00 0.22 N ATOM 580 CA ILE A 37 7.675 -8.761 -8.400 1.00 0.26 C ATOM 581 C ILE A 37 9.171 -9.082 -8.437 1.00 0.25 C ATOM 582 O ILE A 37 9.597 -10.023 -9.105 1.00 0.30 O ATOM 583 CB ILE A 37 7.458 -7.299 -8.836 1.00 0.29 C ATOM 584 CG1 ILE A 37 5.969 -6.946 -8.797 1.00 0.31 C ATOM 585 CG2 ILE A 37 8.025 -7.072 -10.232 1.00 0.37 C ATOM 586 CD1 ILE A 37 5.687 -5.477 -9.023 1.00 0.65 C ATOM 0 H ILE A 37 7.428 -8.317 -6.369 1.00 0.22 H new ATOM 0 HA ILE A 37 7.139 -9.411 -9.092 1.00 0.26 H new ATOM 0 HB ILE A 37 7.985 -6.647 -8.140 1.00 0.29 H new ATOM 0 HG12 ILE A 37 5.446 -7.528 -9.556 1.00 0.31 H new ATOM 0 HG13 ILE A 37 5.560 -7.241 -7.831 1.00 0.31 H new ATOM 0 HG21 ILE A 37 7.864 -6.035 -10.526 1.00 0.37 H new ATOM 0 HG22 ILE A 37 9.094 -7.287 -10.230 1.00 0.37 H new ATOM 0 HG23 ILE A 37 7.524 -7.732 -10.940 1.00 0.37 H new ATOM 0 HD11 ILE A 37 4.612 -5.302 -8.982 1.00 0.65 H new ATOM 0 HD12 ILE A 37 6.180 -4.889 -8.249 1.00 0.65 H new ATOM 0 HD13 ILE A 37 6.065 -5.180 -10.001 1.00 0.65 H new ATOM 598 N ASN A 38 9.962 -8.288 -7.712 1.00 0.21 N ATOM 599 CA ASN A 38 11.409 -8.489 -7.642 1.00 0.22 C ATOM 600 C ASN A 38 11.915 -8.187 -6.232 1.00 0.29 C ATOM 601 O ASN A 38 12.396 -7.090 -5.957 1.00 0.44 O ATOM 602 CB ASN A 38 12.116 -7.593 -8.663 1.00 0.31 C ATOM 603 CG ASN A 38 13.625 -7.726 -8.611 1.00 0.40 C ATOM 604 OD1 ASN A 38 14.207 -8.596 -9.260 1.00 1.03 O ATOM 605 ND2 ASN A 38 14.269 -6.857 -7.840 1.00 0.56 N ATOM 0 H ASN A 38 9.622 -7.498 -7.164 1.00 0.21 H new ATOM 0 HA ASN A 38 11.631 -9.530 -7.877 1.00 0.22 H new ATOM 0 HB2 ASN A 38 11.767 -7.845 -9.665 1.00 0.31 H new ATOM 0 HB3 ASN A 38 11.840 -6.554 -8.481 1.00 0.31 H new ATOM 0 HD21 ASN A 38 15.286 -6.894 -7.769 1.00 0.56 H new ATOM 0 HD22 ASN A 38 13.747 -6.152 -7.319 1.00 0.56 H new ATOM 612 N SER A 39 11.800 -9.170 -5.341 1.00 0.28 N ATOM 613 CA SER A 39 12.219 -9.004 -3.949 1.00 0.37 C ATOM 614 C SER A 39 13.520 -9.741 -3.638 1.00 0.29 C ATOM 615 O SER A 39 13.795 -10.805 -4.191 1.00 0.33 O ATOM 616 CB SER A 39 11.114 -9.498 -3.019 1.00 0.58 C ATOM 617 OG SER A 39 9.881 -8.882 -3.332 1.00 1.50 O ATOM 0 H SER A 39 11.420 -10.091 -5.558 1.00 0.28 H new ATOM 0 HA SER A 39 12.402 -7.941 -3.789 1.00 0.37 H new ATOM 0 HB2 SER A 39 11.017 -10.580 -3.105 1.00 0.58 H new ATOM 0 HB3 SER A 39 11.381 -9.283 -1.984 1.00 0.58 H new ATOM 0 HG SER A 39 9.614 -8.292 -2.597 1.00 1.50 H new ATOM 623 N GLY A 40 14.318 -9.156 -2.743 1.00 0.34 N ATOM 624 CA GLY A 40 15.575 -9.767 -2.344 1.00 0.36 C ATOM 625 C GLY A 40 16.753 -9.294 -3.171 1.00 0.50 C ATOM 626 O GLY A 40 17.147 -9.957 -4.130 1.00 1.09 O ATOM 0 H GLY A 40 14.114 -8.267 -2.287 1.00 0.34 H new ATOM 0 HA2 GLY A 40 15.763 -9.545 -1.294 1.00 0.36 H new ATOM 0 HA3 GLY A 40 15.489 -10.850 -2.430 1.00 0.36 H new ATOM 630 N ASN A 41 17.323 -8.148 -2.800 1.00 0.42 N ATOM 631 CA ASN A 41 18.467 -7.604 -3.525 1.00 0.47 C ATOM 632 C ASN A 41 19.376 -6.778 -2.610 1.00 0.37 C ATOM 633 O ASN A 41 20.473 -7.214 -2.258 1.00 0.36 O ATOM 634 CB ASN A 41 17.997 -6.744 -4.707 1.00 0.60 C ATOM 635 CG ASN A 41 16.821 -7.356 -5.443 1.00 0.82 C ATOM 636 OD1 ASN A 41 16.996 -8.124 -6.388 1.00 1.70 O ATOM 637 ND2 ASN A 41 15.611 -7.017 -5.008 1.00 0.66 N ATOM 0 H ASN A 41 17.014 -7.584 -2.009 1.00 0.42 H new ATOM 0 HA ASN A 41 19.044 -8.449 -3.902 1.00 0.47 H new ATOM 0 HB2 ASN A 41 17.718 -5.755 -4.344 1.00 0.60 H new ATOM 0 HB3 ASN A 41 18.825 -6.606 -5.403 1.00 0.60 H new ATOM 0 HD21 ASN A 41 14.781 -7.398 -5.462 1.00 0.66 H new ATOM 0 HD22 ASN A 41 15.513 -6.376 -4.220 1.00 0.66 H new ATOM 644 N GLY A 42 18.915 -5.588 -2.228 1.00 0.35 N ATOM 645 CA GLY A 42 19.711 -4.710 -1.386 1.00 0.33 C ATOM 646 C GLY A 42 19.477 -4.892 0.105 1.00 0.33 C ATOM 647 O GLY A 42 18.576 -5.617 0.528 1.00 0.34 O ATOM 0 H GLY A 42 18.002 -5.216 -2.488 1.00 0.35 H new ATOM 0 HA2 GLY A 42 20.766 -4.880 -1.600 1.00 0.33 H new ATOM 0 HA3 GLY A 42 19.494 -3.676 -1.652 1.00 0.33 H new ATOM 651 N VAL A 43 20.309 -4.214 0.889 1.00 0.32 N ATOM 652 CA VAL A 43 20.240 -4.237 2.349 1.00 0.32 C ATOM 653 C VAL A 43 19.331 -3.113 2.848 1.00 0.29 C ATOM 654 O VAL A 43 18.868 -2.300 2.048 1.00 0.28 O ATOM 655 CB VAL A 43 21.643 -4.082 2.978 1.00 0.36 C ATOM 656 CG1 VAL A 43 21.685 -4.691 4.373 1.00 1.36 C ATOM 657 CG2 VAL A 43 22.703 -4.713 2.085 1.00 1.42 C ATOM 0 H VAL A 43 21.059 -3.626 0.526 1.00 0.32 H new ATOM 0 HA VAL A 43 19.831 -5.202 2.650 1.00 0.32 H new ATOM 0 HB VAL A 43 21.858 -3.017 3.068 1.00 0.36 H new ATOM 0 HG11 VAL A 43 22.683 -4.569 4.793 1.00 1.36 H new ATOM 0 HG12 VAL A 43 20.958 -4.189 5.011 1.00 1.36 H new ATOM 0 HG13 VAL A 43 21.444 -5.752 4.314 1.00 1.36 H new ATOM 0 HG21 VAL A 43 23.684 -4.594 2.545 1.00 1.42 H new ATOM 0 HG22 VAL A 43 22.488 -5.774 1.959 1.00 1.42 H new ATOM 0 HG23 VAL A 43 22.697 -4.223 1.111 1.00 1.42 H new ATOM 667 N LYS A 44 19.101 -3.055 4.167 1.00 0.29 N ATOM 668 CA LYS A 44 18.238 -2.026 4.770 1.00 0.28 C ATOM 669 C LYS A 44 17.839 -2.380 6.204 1.00 0.29 C ATOM 670 O LYS A 44 17.845 -3.545 6.605 1.00 0.32 O ATOM 671 CB LYS A 44 16.956 -1.843 3.939 1.00 0.29 C ATOM 672 CG LYS A 44 16.226 -3.144 3.625 1.00 0.39 C ATOM 673 CD LYS A 44 15.294 -3.562 4.752 1.00 1.17 C ATOM 674 CE LYS A 44 14.591 -4.874 4.437 1.00 1.63 C ATOM 675 NZ LYS A 44 15.558 -5.989 4.237 1.00 2.18 N ATOM 0 H LYS A 44 19.501 -3.710 4.839 1.00 0.29 H new ATOM 0 HA LYS A 44 18.816 -1.102 4.784 1.00 0.28 H new ATOM 0 HB2 LYS A 44 16.279 -1.180 4.477 1.00 0.29 H new ATOM 0 HB3 LYS A 44 17.211 -1.347 3.003 1.00 0.29 H new ATOM 0 HG2 LYS A 44 15.652 -3.025 2.706 1.00 0.39 H new ATOM 0 HG3 LYS A 44 16.955 -3.934 3.446 1.00 0.39 H new ATOM 0 HD2 LYS A 44 15.863 -3.666 5.676 1.00 1.17 H new ATOM 0 HD3 LYS A 44 14.552 -2.782 4.920 1.00 1.17 H new ATOM 0 HE2 LYS A 44 13.910 -5.125 5.250 1.00 1.63 H new ATOM 0 HE3 LYS A 44 13.984 -4.754 3.539 1.00 1.63 H new ATOM 0 HZ1 LYS A 44 15.051 -6.897 4.261 1.00 2.18 H new ATOM 0 HZ2 LYS A 44 16.028 -5.879 3.316 1.00 2.18 H new ATOM 0 HZ3 LYS A 44 16.271 -5.970 4.994 1.00 2.18 H new ATOM 689 N PRO A 45 17.490 -1.339 6.990 1.00 0.29 N ATOM 690 CA PRO A 45 17.088 -1.449 8.393 1.00 0.30 C ATOM 691 C PRO A 45 15.615 -1.792 8.583 1.00 0.30 C ATOM 692 O PRO A 45 14.836 -1.817 7.630 1.00 0.29 O ATOM 693 CB PRO A 45 17.380 -0.056 8.977 1.00 0.27 C ATOM 694 CG PRO A 45 17.865 0.788 7.839 1.00 0.30 C ATOM 695 CD PRO A 45 17.489 0.069 6.576 1.00 0.30 C ATOM 0 HA PRO A 45 17.627 -2.261 8.881 1.00 0.30 H new ATOM 0 HB2 PRO A 45 16.483 0.373 9.424 1.00 0.27 H new ATOM 0 HB3 PRO A 45 18.132 -0.115 9.764 1.00 0.27 H new ATOM 0 HG2 PRO A 45 17.410 1.778 7.870 1.00 0.30 H new ATOM 0 HG3 PRO A 45 18.944 0.931 7.896 1.00 0.30 H new ATOM 0 HD2 PRO A 45 16.512 0.382 6.208 1.00 0.30 H new ATOM 0 HD3 PRO A 45 18.205 0.256 5.776 1.00 0.30 H new ATOM 703 N GLY A 46 15.254 -2.051 9.834 1.00 0.32 N ATOM 704 CA GLY A 46 13.887 -2.389 10.184 1.00 0.35 C ATOM 705 C GLY A 46 12.963 -1.204 9.994 1.00 0.33 C ATOM 706 O GLY A 46 13.378 -0.198 9.436 1.00 0.28 O ATOM 0 H GLY A 46 15.897 -2.032 10.626 1.00 0.32 H new ATOM 0 HA2 GLY A 46 13.546 -3.221 9.568 1.00 0.35 H new ATOM 0 HA3 GLY A 46 13.846 -2.722 11.221 1.00 0.35 H new ATOM 710 N LYS A 47 11.709 -1.342 10.418 1.00 0.37 N ATOM 711 CA LYS A 47 10.695 -0.287 10.255 1.00 0.37 C ATOM 712 C LYS A 47 11.220 1.128 10.542 1.00 0.34 C ATOM 713 O LYS A 47 10.562 2.110 10.200 1.00 0.35 O ATOM 714 CB LYS A 47 9.503 -0.576 11.168 1.00 0.44 C ATOM 715 CG LYS A 47 9.892 -0.790 12.623 1.00 0.99 C ATOM 716 CD LYS A 47 8.671 -0.845 13.528 1.00 0.94 C ATOM 717 CE LYS A 47 8.025 0.523 13.675 1.00 1.85 C ATOM 718 NZ LYS A 47 6.873 0.494 14.616 1.00 2.35 N ATOM 0 H LYS A 47 11.362 -2.181 10.883 1.00 0.37 H new ATOM 0 HA LYS A 47 10.401 -0.305 9.206 1.00 0.37 H new ATOM 0 HB2 LYS A 47 8.799 0.254 11.107 1.00 0.44 H new ATOM 0 HB3 LYS A 47 8.984 -1.463 10.805 1.00 0.44 H new ATOM 0 HG2 LYS A 47 10.457 -1.718 12.716 1.00 0.99 H new ATOM 0 HG3 LYS A 47 10.549 0.017 12.947 1.00 0.99 H new ATOM 0 HD2 LYS A 47 7.946 -1.549 13.120 1.00 0.94 H new ATOM 0 HD3 LYS A 47 8.961 -1.219 14.510 1.00 0.94 H new ATOM 0 HE2 LYS A 47 8.766 1.238 14.031 1.00 1.85 H new ATOM 0 HE3 LYS A 47 7.688 0.872 12.699 1.00 1.85 H new ATOM 0 HZ1 LYS A 47 6.460 1.446 14.689 1.00 2.35 H new ATOM 0 HZ2 LYS A 47 6.154 -0.170 14.264 1.00 2.35 H new ATOM 0 HZ3 LYS A 47 7.199 0.185 15.554 1.00 2.35 H new ATOM 732 N SER A 48 12.388 1.244 11.162 1.00 0.31 N ATOM 733 CA SER A 48 12.970 2.556 11.442 1.00 0.31 C ATOM 734 C SER A 48 13.781 3.039 10.238 1.00 0.27 C ATOM 735 O SER A 48 14.466 4.061 10.297 1.00 0.29 O ATOM 736 CB SER A 48 13.859 2.494 12.686 1.00 0.32 C ATOM 737 OG SER A 48 13.116 2.097 13.826 1.00 1.45 O ATOM 0 H SER A 48 12.949 0.454 11.479 1.00 0.31 H new ATOM 0 HA SER A 48 12.161 3.262 11.630 1.00 0.31 H new ATOM 0 HB2 SER A 48 14.676 1.792 12.518 1.00 0.32 H new ATOM 0 HB3 SER A 48 14.309 3.471 12.864 1.00 0.32 H new ATOM 0 HG SER A 48 13.708 2.064 14.607 1.00 1.45 H new ATOM 743 N ASP A 49 13.684 2.283 9.148 1.00 0.25 N ATOM 744 CA ASP A 49 14.400 2.578 7.908 1.00 0.24 C ATOM 745 C ASP A 49 13.770 3.749 7.158 1.00 0.23 C ATOM 746 O ASP A 49 12.651 4.166 7.456 1.00 0.29 O ATOM 747 CB ASP A 49 14.391 1.342 7.007 1.00 0.26 C ATOM 748 CG ASP A 49 13.000 0.984 6.522 1.00 0.74 C ATOM 749 OD1 ASP A 49 12.488 1.679 5.619 1.00 0.53 O ATOM 750 OD2 ASP A 49 12.420 0.014 7.048 1.00 1.73 O ATOM 0 H ASP A 49 13.105 1.445 9.099 1.00 0.25 H new ATOM 0 HA ASP A 49 15.422 2.851 8.169 1.00 0.24 H new ATOM 0 HB2 ASP A 49 15.037 1.519 6.147 1.00 0.26 H new ATOM 0 HB3 ASP A 49 14.810 0.496 7.552 1.00 0.26 H new ATOM 755 N THR A 50 14.507 4.270 6.180 1.00 0.26 N ATOM 756 CA THR A 50 14.037 5.370 5.350 1.00 0.28 C ATOM 757 C THR A 50 14.152 4.962 3.889 1.00 0.33 C ATOM 758 O THR A 50 15.244 4.648 3.416 1.00 0.44 O ATOM 759 CB THR A 50 14.847 6.657 5.589 1.00 0.36 C ATOM 760 OG1 THR A 50 14.745 7.052 6.963 1.00 0.39 O ATOM 761 CG2 THR A 50 14.352 7.784 4.695 1.00 0.42 C ATOM 0 H THR A 50 15.443 3.941 5.943 1.00 0.26 H new ATOM 0 HA THR A 50 13.000 5.580 5.614 1.00 0.28 H new ATOM 0 HB THR A 50 15.890 6.453 5.345 1.00 0.36 H new ATOM 0 HG1 THR A 50 15.264 7.870 7.108 1.00 0.39 H new ATOM 0 HG21 THR A 50 14.940 8.682 4.883 1.00 0.42 H new ATOM 0 HG22 THR A 50 14.458 7.493 3.650 1.00 0.42 H new ATOM 0 HG23 THR A 50 13.303 7.986 4.911 1.00 0.42 H new ATOM 769 N VAL A 51 13.038 4.968 3.171 1.00 0.29 N ATOM 770 CA VAL A 51 13.054 4.546 1.781 1.00 0.37 C ATOM 771 C VAL A 51 12.534 5.613 0.831 1.00 0.30 C ATOM 772 O VAL A 51 11.596 6.348 1.144 1.00 0.29 O ATOM 773 CB VAL A 51 12.218 3.263 1.586 1.00 0.51 C ATOM 774 CG1 VAL A 51 12.623 2.206 2.600 1.00 0.65 C ATOM 775 CG2 VAL A 51 10.729 3.561 1.691 1.00 0.53 C ATOM 0 H VAL A 51 12.125 5.256 3.523 1.00 0.29 H new ATOM 0 HA VAL A 51 14.100 4.357 1.541 1.00 0.37 H new ATOM 0 HB VAL A 51 12.415 2.879 0.585 1.00 0.51 H new ATOM 0 HG11 VAL A 51 12.024 1.308 2.449 1.00 0.65 H new ATOM 0 HG12 VAL A 51 13.678 1.964 2.472 1.00 0.65 H new ATOM 0 HG13 VAL A 51 12.458 2.587 3.608 1.00 0.65 H new ATOM 0 HG21 VAL A 51 10.163 2.640 1.550 1.00 0.53 H new ATOM 0 HG22 VAL A 51 10.509 3.975 2.675 1.00 0.53 H new ATOM 0 HG23 VAL A 51 10.447 4.282 0.923 1.00 0.53 H new ATOM 785 N THR A 52 13.165 5.690 -0.334 1.00 0.27 N ATOM 786 CA THR A 52 12.756 6.621 -1.370 1.00 0.23 C ATOM 787 C THR A 52 12.276 5.815 -2.565 1.00 0.19 C ATOM 788 O THR A 52 13.038 5.036 -3.139 1.00 0.17 O ATOM 789 CB THR A 52 13.912 7.544 -1.804 1.00 0.26 C ATOM 790 OG1 THR A 52 14.466 8.205 -0.661 1.00 0.32 O ATOM 791 CG2 THR A 52 13.430 8.580 -2.808 1.00 0.26 C ATOM 0 H THR A 52 13.968 5.112 -0.583 1.00 0.27 H new ATOM 0 HA THR A 52 11.962 7.257 -0.977 1.00 0.23 H new ATOM 0 HB THR A 52 14.679 6.931 -2.277 1.00 0.26 H new ATOM 0 HG1 THR A 52 15.201 8.788 -0.945 1.00 0.32 H new ATOM 0 HG21 THR A 52 14.263 9.220 -3.099 1.00 0.26 H new ATOM 0 HG22 THR A 52 13.034 8.076 -3.690 1.00 0.26 H new ATOM 0 HG23 THR A 52 12.647 9.188 -2.356 1.00 0.26 H new ATOM 799 N VAL A 53 11.019 6.000 -2.946 1.00 0.19 N ATOM 800 CA VAL A 53 10.453 5.242 -4.052 1.00 0.18 C ATOM 801 C VAL A 53 9.440 6.059 -4.843 1.00 0.19 C ATOM 802 O VAL A 53 9.153 7.210 -4.516 1.00 0.23 O ATOM 803 CB VAL A 53 9.753 3.963 -3.537 1.00 0.20 C ATOM 804 CG1 VAL A 53 10.590 3.272 -2.474 1.00 0.22 C ATOM 805 CG2 VAL A 53 8.365 4.285 -2.996 1.00 0.24 C ATOM 0 H VAL A 53 10.378 6.662 -2.510 1.00 0.19 H new ATOM 0 HA VAL A 53 11.284 4.980 -4.706 1.00 0.18 H new ATOM 0 HB VAL A 53 9.644 3.281 -4.380 1.00 0.20 H new ATOM 0 HG11 VAL A 53 10.074 2.376 -2.130 1.00 0.22 H new ATOM 0 HG12 VAL A 53 11.556 2.995 -2.895 1.00 0.22 H new ATOM 0 HG13 VAL A 53 10.741 3.949 -1.633 1.00 0.22 H new ATOM 0 HG21 VAL A 53 7.892 3.370 -2.640 1.00 0.24 H new ATOM 0 HG22 VAL A 53 8.451 4.994 -2.172 1.00 0.24 H new ATOM 0 HG23 VAL A 53 7.758 4.722 -3.789 1.00 0.24 H new ATOM 815 N GLU A 54 8.900 5.438 -5.885 1.00 0.18 N ATOM 816 CA GLU A 54 7.891 6.071 -6.723 1.00 0.20 C ATOM 817 C GLU A 54 6.699 5.138 -6.857 1.00 0.20 C ATOM 818 O GLU A 54 6.868 3.950 -7.133 1.00 0.21 O ATOM 819 CB GLU A 54 8.453 6.395 -8.111 1.00 0.24 C ATOM 820 CG GLU A 54 9.606 7.386 -8.097 1.00 1.02 C ATOM 821 CD GLU A 54 10.917 6.755 -7.667 1.00 1.76 C ATOM 822 OE1 GLU A 54 11.440 5.904 -8.418 1.00 2.09 O ATOM 823 OE2 GLU A 54 11.424 7.114 -6.584 1.00 2.40 O ATOM 0 H GLU A 54 9.147 4.490 -6.170 1.00 0.18 H new ATOM 0 HA GLU A 54 7.583 7.006 -6.255 1.00 0.20 H new ATOM 0 HB2 GLU A 54 8.788 5.470 -8.581 1.00 0.24 H new ATOM 0 HB3 GLU A 54 7.651 6.795 -8.732 1.00 0.24 H new ATOM 0 HG2 GLU A 54 9.723 7.814 -9.092 1.00 1.02 H new ATOM 0 HG3 GLU A 54 9.365 8.208 -7.423 1.00 1.02 H new ATOM 830 N TYR A 55 5.494 5.661 -6.665 1.00 0.19 N ATOM 831 CA TYR A 55 4.308 4.826 -6.762 1.00 0.20 C ATOM 832 C TYR A 55 3.117 5.579 -7.323 1.00 0.19 C ATOM 833 O TYR A 55 3.061 6.810 -7.297 1.00 0.21 O ATOM 834 CB TYR A 55 3.940 4.245 -5.393 1.00 0.21 C ATOM 835 CG TYR A 55 3.242 5.224 -4.467 1.00 0.19 C ATOM 836 CD1 TYR A 55 3.935 6.284 -3.896 1.00 0.22 C ATOM 837 CD2 TYR A 55 1.886 5.087 -4.165 1.00 0.20 C ATOM 838 CE1 TYR A 55 3.304 7.179 -3.054 1.00 0.24 C ATOM 839 CE2 TYR A 55 1.246 5.981 -3.322 1.00 0.21 C ATOM 840 CZ TYR A 55 1.961 7.025 -2.771 1.00 0.22 C ATOM 841 OH TYR A 55 1.333 7.917 -1.933 1.00 0.26 O ATOM 0 H TYR A 55 5.316 6.641 -6.445 1.00 0.19 H new ATOM 0 HA TYR A 55 4.553 4.018 -7.452 1.00 0.20 H new ATOM 0 HB2 TYR A 55 3.295 3.379 -5.540 1.00 0.21 H new ATOM 0 HB3 TYR A 55 4.848 3.887 -4.907 1.00 0.21 H new ATOM 0 HD1 TYR A 55 4.985 6.410 -4.114 1.00 0.22 H new ATOM 0 HD2 TYR A 55 1.326 4.270 -4.596 1.00 0.20 H new ATOM 0 HE1 TYR A 55 3.859 7.997 -2.618 1.00 0.24 H new ATOM 0 HE2 TYR A 55 0.196 5.862 -3.098 1.00 0.21 H new ATOM 0 HH TYR A 55 0.390 7.669 -1.838 1.00 0.26 H new ATOM 851 N THR A 56 2.172 4.809 -7.829 1.00 0.18 N ATOM 852 CA THR A 56 0.940 5.344 -8.377 1.00 0.17 C ATOM 853 C THR A 56 -0.222 4.734 -7.616 1.00 0.14 C ATOM 854 O THR A 56 -0.471 3.532 -7.712 1.00 0.15 O ATOM 855 CB THR A 56 0.793 5.025 -9.877 1.00 0.21 C ATOM 856 OG1 THR A 56 1.936 5.506 -10.595 1.00 0.26 O ATOM 857 CG2 THR A 56 -0.471 5.656 -10.445 1.00 0.21 C ATOM 0 H THR A 56 2.237 3.792 -7.872 1.00 0.18 H new ATOM 0 HA THR A 56 0.953 6.429 -8.272 1.00 0.17 H new ATOM 0 HB THR A 56 0.722 3.943 -9.990 1.00 0.21 H new ATOM 0 HG1 THR A 56 1.836 5.298 -11.547 1.00 0.26 H new ATOM 0 HG21 THR A 56 -0.552 5.417 -11.505 1.00 0.21 H new ATOM 0 HG22 THR A 56 -1.341 5.266 -9.917 1.00 0.21 H new ATOM 0 HG23 THR A 56 -0.425 6.738 -10.320 1.00 0.21 H new ATOM 865 N GLY A 57 -0.934 5.557 -6.861 1.00 0.12 N ATOM 866 CA GLY A 57 -2.030 5.039 -6.076 1.00 0.11 C ATOM 867 C GLY A 57 -3.380 5.484 -6.574 1.00 0.10 C ATOM 868 O GLY A 57 -3.545 6.613 -7.034 1.00 0.10 O ATOM 0 H GLY A 57 -0.774 6.561 -6.779 1.00 0.12 H new ATOM 0 HA2 GLY A 57 -1.989 3.950 -6.081 1.00 0.11 H new ATOM 0 HA3 GLY A 57 -1.909 5.357 -5.041 1.00 0.11 H new ATOM 872 N ARG A 58 -4.346 4.588 -6.480 1.00 0.12 N ATOM 873 CA ARG A 58 -5.701 4.885 -6.907 1.00 0.13 C ATOM 874 C ARG A 58 -6.703 4.116 -6.051 1.00 0.15 C ATOM 875 O ARG A 58 -6.449 2.980 -5.653 1.00 0.19 O ATOM 876 CB ARG A 58 -5.854 4.538 -8.395 1.00 0.18 C ATOM 877 CG ARG A 58 -7.269 4.174 -8.818 1.00 0.90 C ATOM 878 CD ARG A 58 -7.507 2.674 -8.720 1.00 0.40 C ATOM 879 NE ARG A 58 -6.528 1.912 -9.491 1.00 1.00 N ATOM 880 CZ ARG A 58 -6.687 0.636 -9.831 1.00 0.99 C ATOM 881 NH1 ARG A 58 -7.785 -0.018 -9.479 1.00 0.89 N ATOM 882 NH2 ARG A 58 -5.747 0.013 -10.529 1.00 1.93 N ATOM 0 H ARG A 58 -4.216 3.646 -6.111 1.00 0.12 H new ATOM 0 HA ARG A 58 -5.903 5.948 -6.778 1.00 0.13 H new ATOM 0 HB2 ARG A 58 -5.519 5.388 -8.989 1.00 0.18 H new ATOM 0 HB3 ARG A 58 -5.193 3.704 -8.630 1.00 0.18 H new ATOM 0 HG2 ARG A 58 -7.986 4.700 -8.188 1.00 0.90 H new ATOM 0 HG3 ARG A 58 -7.441 4.506 -9.842 1.00 0.90 H new ATOM 0 HD2 ARG A 58 -7.463 2.368 -7.675 1.00 0.40 H new ATOM 0 HD3 ARG A 58 -8.510 2.442 -9.078 1.00 0.40 H new ATOM 0 HE ARG A 58 -5.674 2.385 -9.785 1.00 1.00 H new ATOM 0 HH11 ARG A 58 -8.513 0.457 -8.945 1.00 0.89 H new ATOM 0 HH12 ARG A 58 -7.902 -0.996 -9.742 1.00 0.89 H new ATOM 0 HH21 ARG A 58 -4.902 0.512 -10.805 1.00 1.93 H new ATOM 0 HH22 ARG A 58 -5.869 -0.966 -10.789 1.00 1.93 H new ATOM 896 N LEU A 59 -7.851 4.735 -5.802 1.00 0.16 N ATOM 897 CA LEU A 59 -8.904 4.117 -4.997 1.00 0.19 C ATOM 898 C LEU A 59 -9.620 3.040 -5.791 1.00 0.20 C ATOM 899 O LEU A 59 -9.661 3.093 -7.014 1.00 0.22 O ATOM 900 CB LEU A 59 -9.919 5.175 -4.558 1.00 0.22 C ATOM 901 CG LEU A 59 -9.326 6.512 -4.109 1.00 0.78 C ATOM 902 CD1 LEU A 59 -10.310 7.640 -4.372 1.00 1.21 C ATOM 903 CD2 LEU A 59 -8.958 6.465 -2.635 1.00 1.07 C ATOM 0 H LEU A 59 -8.079 5.668 -6.146 1.00 0.16 H new ATOM 0 HA LEU A 59 -8.441 3.666 -4.119 1.00 0.19 H new ATOM 0 HB2 LEU A 59 -10.604 5.361 -5.385 1.00 0.22 H new ATOM 0 HB3 LEU A 59 -10.511 4.767 -3.739 1.00 0.22 H new ATOM 0 HG LEU A 59 -8.419 6.698 -4.685 1.00 0.78 H new ATOM 0 HD11 LEU A 59 -9.875 8.585 -4.048 1.00 1.21 H new ATOM 0 HD12 LEU A 59 -10.531 7.689 -5.438 1.00 1.21 H new ATOM 0 HD13 LEU A 59 -11.231 7.456 -3.819 1.00 1.21 H new ATOM 0 HD21 LEU A 59 -8.538 7.425 -2.334 1.00 1.07 H new ATOM 0 HD22 LEU A 59 -9.850 6.258 -2.044 1.00 1.07 H new ATOM 0 HD23 LEU A 59 -8.222 5.679 -2.469 1.00 1.07 H new ATOM 915 N ILE A 60 -10.193 2.066 -5.090 1.00 0.25 N ATOM 916 CA ILE A 60 -10.925 0.993 -5.748 1.00 0.28 C ATOM 917 C ILE A 60 -12.034 1.585 -6.614 1.00 0.29 C ATOM 918 O ILE A 60 -12.639 0.899 -7.437 1.00 0.32 O ATOM 919 CB ILE A 60 -11.520 0.004 -4.714 1.00 0.34 C ATOM 920 CG1 ILE A 60 -11.358 -1.447 -5.185 1.00 0.64 C ATOM 921 CG2 ILE A 60 -12.984 0.317 -4.428 1.00 0.61 C ATOM 922 CD1 ILE A 60 -12.100 -1.776 -6.465 1.00 0.52 C ATOM 0 H ILE A 60 -10.164 1.999 -4.073 1.00 0.25 H new ATOM 0 HA ILE A 60 -10.231 0.437 -6.378 1.00 0.28 H new ATOM 0 HB ILE A 60 -10.964 0.125 -3.785 1.00 0.34 H new ATOM 0 HG12 ILE A 60 -10.298 -1.653 -5.331 1.00 0.64 H new ATOM 0 HG13 ILE A 60 -11.706 -2.113 -4.396 1.00 0.64 H new ATOM 0 HG21 ILE A 60 -13.372 -0.394 -3.699 1.00 0.61 H new ATOM 0 HG22 ILE A 60 -13.069 1.328 -4.029 1.00 0.61 H new ATOM 0 HG23 ILE A 60 -13.559 0.241 -5.351 1.00 0.61 H new ATOM 0 HD11 ILE A 60 -11.931 -2.821 -6.725 1.00 0.52 H new ATOM 0 HD12 ILE A 60 -13.167 -1.606 -6.321 1.00 0.52 H new ATOM 0 HD13 ILE A 60 -11.736 -1.138 -7.271 1.00 0.52 H new ATOM 934 N ASP A 61 -12.283 2.879 -6.419 1.00 0.30 N ATOM 935 CA ASP A 61 -13.308 3.590 -7.173 1.00 0.36 C ATOM 936 C ASP A 61 -12.877 3.784 -8.625 1.00 0.36 C ATOM 937 O ASP A 61 -13.676 4.191 -9.469 1.00 0.42 O ATOM 938 CB ASP A 61 -13.596 4.946 -6.525 1.00 0.40 C ATOM 939 CG ASP A 61 -14.727 5.689 -7.210 1.00 1.07 C ATOM 940 OD1 ASP A 61 -15.899 5.452 -6.847 1.00 0.95 O ATOM 941 OD2 ASP A 61 -14.441 6.506 -8.109 1.00 2.01 O ATOM 0 H ASP A 61 -11.785 3.456 -5.741 1.00 0.30 H new ATOM 0 HA ASP A 61 -14.218 2.990 -7.161 1.00 0.36 H new ATOM 0 HB2 ASP A 61 -13.847 4.797 -5.475 1.00 0.40 H new ATOM 0 HB3 ASP A 61 -12.694 5.558 -6.554 1.00 0.40 H new ATOM 946 N GLY A 62 -11.611 3.484 -8.915 1.00 0.31 N ATOM 947 CA GLY A 62 -11.109 3.628 -10.270 1.00 0.37 C ATOM 948 C GLY A 62 -10.509 4.994 -10.555 1.00 0.38 C ATOM 949 O GLY A 62 -10.047 5.246 -11.668 1.00 0.45 O ATOM 0 H GLY A 62 -10.928 3.145 -8.237 1.00 0.31 H new ATOM 0 HA2 GLY A 62 -10.353 2.864 -10.452 1.00 0.37 H new ATOM 0 HA3 GLY A 62 -11.923 3.445 -10.971 1.00 0.37 H new ATOM 953 N THR A 63 -10.506 5.881 -9.560 1.00 0.33 N ATOM 954 CA THR A 63 -9.984 7.224 -9.748 1.00 0.37 C ATOM 955 C THR A 63 -8.724 7.458 -8.929 1.00 0.31 C ATOM 956 O THR A 63 -8.732 7.330 -7.703 1.00 0.30 O ATOM 957 CB THR A 63 -11.032 8.283 -9.364 1.00 0.44 C ATOM 958 OG1 THR A 63 -11.460 8.083 -8.011 1.00 1.40 O ATOM 959 CG2 THR A 63 -12.234 8.221 -10.296 1.00 1.28 C ATOM 0 H THR A 63 -10.858 5.690 -8.622 1.00 0.33 H new ATOM 0 HA THR A 63 -9.740 7.319 -10.806 1.00 0.37 H new ATOM 0 HB THR A 63 -10.571 9.266 -9.457 1.00 0.44 H new ATOM 0 HG1 THR A 63 -10.691 7.831 -7.458 1.00 1.40 H new ATOM 0 HG21 THR A 63 -12.960 8.979 -10.004 1.00 1.28 H new ATOM 0 HG22 THR A 63 -11.910 8.405 -11.320 1.00 1.28 H new ATOM 0 HG23 THR A 63 -12.693 7.235 -10.232 1.00 1.28 H new ATOM 967 N VAL A 64 -7.640 7.799 -9.617 1.00 0.28 N ATOM 968 CA VAL A 64 -6.374 8.073 -8.964 1.00 0.22 C ATOM 969 C VAL A 64 -6.531 9.243 -8.005 1.00 0.20 C ATOM 970 O VAL A 64 -7.103 10.275 -8.360 1.00 0.23 O ATOM 971 CB VAL A 64 -5.270 8.390 -9.996 1.00 0.22 C ATOM 972 CG1 VAL A 64 -5.696 9.530 -10.909 1.00 0.25 C ATOM 973 CG2 VAL A 64 -3.957 8.718 -9.301 1.00 0.18 C ATOM 0 H VAL A 64 -7.617 7.892 -10.633 1.00 0.28 H new ATOM 0 HA VAL A 64 -6.078 7.182 -8.411 1.00 0.22 H new ATOM 0 HB VAL A 64 -5.116 7.502 -10.610 1.00 0.22 H new ATOM 0 HG11 VAL A 64 -4.903 9.736 -11.628 1.00 0.25 H new ATOM 0 HG12 VAL A 64 -6.605 9.249 -11.442 1.00 0.25 H new ATOM 0 HG13 VAL A 64 -5.886 10.422 -10.313 1.00 0.25 H new ATOM 0 HG21 VAL A 64 -3.195 8.938 -10.048 1.00 0.18 H new ATOM 0 HG22 VAL A 64 -4.094 9.586 -8.656 1.00 0.18 H new ATOM 0 HG23 VAL A 64 -3.641 7.866 -8.700 1.00 0.18 H new ATOM 983 N PHE A 65 -6.032 9.078 -6.792 1.00 0.18 N ATOM 984 CA PHE A 65 -6.138 10.130 -5.788 1.00 0.20 C ATOM 985 C PHE A 65 -4.857 10.968 -5.700 1.00 0.20 C ATOM 986 O PHE A 65 -4.909 12.144 -5.340 1.00 0.24 O ATOM 987 CB PHE A 65 -6.503 9.537 -4.408 1.00 0.21 C ATOM 988 CG PHE A 65 -5.584 8.457 -3.872 1.00 0.17 C ATOM 989 CD1 PHE A 65 -4.407 8.111 -4.510 1.00 0.15 C ATOM 990 CD2 PHE A 65 -5.904 7.805 -2.697 1.00 0.18 C ATOM 991 CE1 PHE A 65 -3.573 7.148 -3.994 1.00 0.15 C ATOM 992 CE2 PHE A 65 -5.075 6.830 -2.181 1.00 0.18 C ATOM 993 CZ PHE A 65 -3.904 6.502 -2.833 1.00 0.17 C ATOM 0 H PHE A 65 -5.553 8.234 -6.477 1.00 0.18 H new ATOM 0 HA PHE A 65 -6.941 10.797 -6.101 1.00 0.20 H new ATOM 0 HB2 PHE A 65 -6.532 10.351 -3.684 1.00 0.21 H new ATOM 0 HB3 PHE A 65 -7.512 9.128 -4.468 1.00 0.21 H new ATOM 0 HD1 PHE A 65 -4.138 8.607 -5.431 1.00 0.15 H new ATOM 0 HD2 PHE A 65 -6.814 8.062 -2.176 1.00 0.18 H new ATOM 0 HE1 PHE A 65 -2.655 6.900 -4.505 1.00 0.15 H new ATOM 0 HE2 PHE A 65 -5.343 6.323 -1.266 1.00 0.18 H new ATOM 0 HZ PHE A 65 -3.253 5.741 -2.430 1.00 0.17 H new ATOM 1003 N ASP A 66 -3.716 10.364 -6.032 1.00 0.18 N ATOM 1004 CA ASP A 66 -2.439 11.058 -5.986 1.00 0.19 C ATOM 1005 C ASP A 66 -1.312 10.152 -6.470 1.00 0.17 C ATOM 1006 O ASP A 66 -1.197 9.006 -6.033 1.00 0.18 O ATOM 1007 CB ASP A 66 -2.139 11.549 -4.568 1.00 0.25 C ATOM 1008 CG ASP A 66 -0.806 12.265 -4.472 1.00 0.27 C ATOM 1009 OD1 ASP A 66 0.215 11.589 -4.228 1.00 0.30 O ATOM 1010 OD2 ASP A 66 -0.782 13.503 -4.642 1.00 0.30 O ATOM 0 H ASP A 66 -3.655 9.392 -6.336 1.00 0.18 H new ATOM 0 HA ASP A 66 -2.504 11.920 -6.650 1.00 0.19 H new ATOM 0 HB2 ASP A 66 -2.933 12.222 -4.244 1.00 0.25 H new ATOM 0 HB3 ASP A 66 -2.142 10.700 -3.885 1.00 0.25 H new ATOM 1015 N SER A 67 -0.484 10.666 -7.367 1.00 0.17 N ATOM 1016 CA SER A 67 0.646 9.904 -7.888 1.00 0.19 C ATOM 1017 C SER A 67 1.923 10.738 -7.834 1.00 0.18 C ATOM 1018 O SER A 67 2.030 11.773 -8.492 1.00 0.22 O ATOM 1019 CB SER A 67 0.370 9.453 -9.322 1.00 0.25 C ATOM 1020 OG SER A 67 -0.800 8.656 -9.389 1.00 1.30 O ATOM 0 H SER A 67 -0.571 11.607 -7.751 1.00 0.17 H new ATOM 0 HA SER A 67 0.781 9.020 -7.264 1.00 0.19 H new ATOM 0 HB2 SER A 67 0.257 10.325 -9.966 1.00 0.25 H new ATOM 0 HB3 SER A 67 1.222 8.887 -9.699 1.00 0.25 H new ATOM 0 HG SER A 67 -0.761 7.959 -8.701 1.00 1.30 H new ATOM 1026 N THR A 68 2.891 10.277 -7.048 1.00 0.19 N ATOM 1027 CA THR A 68 4.160 10.987 -6.895 1.00 0.21 C ATOM 1028 C THR A 68 5.043 10.815 -8.125 1.00 0.28 C ATOM 1029 O THR A 68 5.844 11.690 -8.452 1.00 0.34 O ATOM 1030 CB THR A 68 4.932 10.505 -5.650 1.00 0.20 C ATOM 1031 OG1 THR A 68 5.244 9.112 -5.776 1.00 0.27 O ATOM 1032 CG2 THR A 68 4.112 10.733 -4.389 1.00 0.28 C ATOM 0 H THR A 68 2.823 9.415 -6.507 1.00 0.19 H new ATOM 0 HA THR A 68 3.914 12.042 -6.774 1.00 0.21 H new ATOM 0 HB THR A 68 5.856 11.078 -5.575 1.00 0.20 H new ATOM 0 HG1 THR A 68 4.701 8.597 -5.144 1.00 0.27 H new ATOM 0 HG21 THR A 68 4.674 10.386 -3.522 1.00 0.28 H new ATOM 0 HG22 THR A 68 3.898 11.796 -4.281 1.00 0.28 H new ATOM 0 HG23 THR A 68 3.175 10.180 -4.459 1.00 0.28 H new ATOM 1040 N GLU A 69 4.892 9.683 -8.801 1.00 0.42 N ATOM 1041 CA GLU A 69 5.679 9.399 -9.995 1.00 0.56 C ATOM 1042 C GLU A 69 5.250 10.301 -11.150 1.00 0.66 C ATOM 1043 O GLU A 69 6.085 10.784 -11.916 1.00 0.75 O ATOM 1044 CB GLU A 69 5.529 7.926 -10.387 1.00 0.75 C ATOM 1045 CG GLU A 69 6.713 7.371 -11.166 1.00 1.17 C ATOM 1046 CD GLU A 69 6.881 8.023 -12.525 1.00 1.66 C ATOM 1047 OE1 GLU A 69 6.092 7.703 -13.439 1.00 2.05 O ATOM 1048 OE2 GLU A 69 7.802 8.853 -12.676 1.00 2.11 O ATOM 0 H GLU A 69 4.233 8.948 -8.544 1.00 0.42 H new ATOM 0 HA GLU A 69 6.727 9.600 -9.774 1.00 0.56 H new ATOM 0 HB2 GLU A 69 5.391 7.332 -9.484 1.00 0.75 H new ATOM 0 HB3 GLU A 69 4.626 7.810 -10.986 1.00 0.75 H new ATOM 0 HG2 GLU A 69 7.624 7.514 -10.584 1.00 1.17 H new ATOM 0 HG3 GLU A 69 6.584 6.297 -11.297 1.00 1.17 H new ATOM 1055 N LYS A 70 3.944 10.528 -11.265 1.00 0.69 N ATOM 1056 CA LYS A 70 3.406 11.374 -12.325 1.00 0.84 C ATOM 1057 C LYS A 70 3.749 12.839 -12.083 1.00 0.85 C ATOM 1058 O LYS A 70 4.039 13.581 -13.023 1.00 1.01 O ATOM 1059 CB LYS A 70 1.892 11.203 -12.428 1.00 0.91 C ATOM 1060 CG LYS A 70 1.469 9.788 -12.778 1.00 1.63 C ATOM 1061 CD LYS A 70 0.021 9.738 -13.230 1.00 1.87 C ATOM 1062 CE LYS A 70 -0.415 8.316 -13.547 1.00 2.76 C ATOM 1063 NZ LYS A 70 0.426 7.706 -14.613 1.00 3.41 N ATOM 0 H LYS A 70 3.240 10.138 -10.638 1.00 0.69 H new ATOM 0 HA LYS A 70 3.863 11.064 -13.265 1.00 0.84 H new ATOM 0 HB2 LYS A 70 1.436 11.487 -11.479 1.00 0.91 H new ATOM 0 HB3 LYS A 70 1.507 11.887 -13.184 1.00 0.91 H new ATOM 0 HG2 LYS A 70 2.112 9.399 -13.568 1.00 1.63 H new ATOM 0 HG3 LYS A 70 1.603 9.142 -11.911 1.00 1.63 H new ATOM 0 HD2 LYS A 70 -0.619 10.151 -12.450 1.00 1.87 H new ATOM 0 HD3 LYS A 70 -0.108 10.364 -14.113 1.00 1.87 H new ATOM 0 HE2 LYS A 70 -0.356 7.708 -12.644 1.00 2.76 H new ATOM 0 HE3 LYS A 70 -1.458 8.317 -13.863 1.00 2.76 H new ATOM 0 HZ1 LYS A 70 -0.018 6.826 -14.945 1.00 3.41 H new ATOM 0 HZ2 LYS A 70 0.514 8.370 -15.408 1.00 3.41 H new ATOM 0 HZ3 LYS A 70 1.370 7.495 -14.232 1.00 3.41 H new ATOM 1077 N THR A 71 3.713 13.250 -10.819 1.00 0.73 N ATOM 1078 CA THR A 71 4.023 14.627 -10.451 1.00 0.82 C ATOM 1079 C THR A 71 5.419 15.015 -10.931 1.00 0.82 C ATOM 1080 O THR A 71 5.721 16.196 -11.107 1.00 0.97 O ATOM 1081 CB THR A 71 3.933 14.837 -8.927 1.00 0.76 C ATOM 1082 OG1 THR A 71 2.656 14.396 -8.448 1.00 1.25 O ATOM 1083 CG2 THR A 71 4.133 16.302 -8.564 1.00 1.47 C ATOM 0 H THR A 71 3.472 12.648 -10.032 1.00 0.73 H new ATOM 0 HA THR A 71 3.283 15.263 -10.936 1.00 0.82 H new ATOM 0 HB THR A 71 4.724 14.252 -8.457 1.00 0.76 H new ATOM 0 HG1 THR A 71 2.655 13.419 -8.371 1.00 1.25 H new ATOM 0 HG21 THR A 71 4.065 16.422 -7.483 1.00 1.47 H new ATOM 0 HG22 THR A 71 5.115 16.630 -8.904 1.00 1.47 H new ATOM 0 HG23 THR A 71 3.363 16.905 -9.045 1.00 1.47 H new ATOM 1091 N GLY A 72 6.262 14.010 -11.143 1.00 0.69 N ATOM 1092 CA GLY A 72 7.615 14.258 -11.605 1.00 0.70 C ATOM 1093 C GLY A 72 8.617 14.319 -10.469 1.00 0.60 C ATOM 1094 O GLY A 72 9.803 14.563 -10.696 1.00 0.60 O ATOM 0 H GLY A 72 6.032 13.026 -11.003 1.00 0.69 H new ATOM 0 HA2 GLY A 72 7.907 13.471 -12.301 1.00 0.70 H new ATOM 0 HA3 GLY A 72 7.640 15.197 -12.157 1.00 0.70 H new ATOM 1098 N LYS A 73 8.145 14.099 -9.245 1.00 0.54 N ATOM 1099 CA LYS A 73 9.018 14.131 -8.077 1.00 0.49 C ATOM 1100 C LYS A 73 8.893 12.845 -7.261 1.00 0.40 C ATOM 1101 O LYS A 73 7.819 12.532 -6.748 1.00 0.43 O ATOM 1102 CB LYS A 73 8.695 15.342 -7.201 1.00 0.60 C ATOM 1103 CG LYS A 73 9.426 15.343 -5.866 1.00 1.47 C ATOM 1104 CD LYS A 73 9.069 16.562 -5.027 1.00 1.89 C ATOM 1105 CE LYS A 73 9.858 17.793 -5.450 1.00 2.37 C ATOM 1106 NZ LYS A 73 9.497 18.248 -6.821 1.00 3.05 N ATOM 0 H LYS A 73 7.167 13.898 -9.037 1.00 0.54 H new ATOM 0 HA LYS A 73 10.046 14.213 -8.430 1.00 0.49 H new ATOM 0 HB2 LYS A 73 8.949 16.251 -7.745 1.00 0.60 H new ATOM 0 HB3 LYS A 73 7.621 15.370 -7.017 1.00 0.60 H new ATOM 0 HG2 LYS A 73 9.177 14.436 -5.314 1.00 1.47 H new ATOM 0 HG3 LYS A 73 10.502 15.324 -6.041 1.00 1.47 H new ATOM 0 HD2 LYS A 73 8.002 16.766 -5.118 1.00 1.89 H new ATOM 0 HD3 LYS A 73 9.264 16.349 -3.976 1.00 1.89 H new ATOM 0 HE2 LYS A 73 9.676 18.601 -4.741 1.00 2.37 H new ATOM 0 HE3 LYS A 73 10.924 17.570 -5.412 1.00 2.37 H new ATOM 0 HZ1 LYS A 73 9.574 19.284 -6.875 1.00 3.05 H new ATOM 0 HZ2 LYS A 73 10.144 17.817 -7.512 1.00 3.05 H new ATOM 0 HZ3 LYS A 73 8.521 17.962 -7.036 1.00 3.05 H new ATOM 1120 N PRO A 74 9.996 12.083 -7.131 1.00 0.33 N ATOM 1121 CA PRO A 74 10.007 10.833 -6.366 1.00 0.29 C ATOM 1122 C PRO A 74 9.466 11.020 -4.952 1.00 0.24 C ATOM 1123 O PRO A 74 9.591 12.098 -4.370 1.00 0.27 O ATOM 1124 CB PRO A 74 11.489 10.455 -6.311 1.00 0.33 C ATOM 1125 CG PRO A 74 12.106 11.126 -7.490 1.00 0.51 C ATOM 1126 CD PRO A 74 11.314 12.382 -7.724 1.00 0.38 C ATOM 0 HA PRO A 74 9.375 10.073 -6.826 1.00 0.29 H new ATOM 0 HB2 PRO A 74 11.947 10.792 -5.381 1.00 0.33 H new ATOM 0 HB3 PRO A 74 11.622 9.374 -6.358 1.00 0.33 H new ATOM 0 HG2 PRO A 74 13.154 11.357 -7.301 1.00 0.51 H new ATOM 0 HG3 PRO A 74 12.075 10.478 -8.366 1.00 0.51 H new ATOM 0 HD2 PRO A 74 11.781 13.244 -7.247 1.00 0.38 H new ATOM 0 HD3 PRO A 74 11.232 12.611 -8.787 1.00 0.38 H new ATOM 1134 N ALA A 75 8.869 9.967 -4.404 1.00 0.21 N ATOM 1135 CA ALA A 75 8.320 10.023 -3.056 1.00 0.19 C ATOM 1136 C ALA A 75 9.329 9.498 -2.037 1.00 0.18 C ATOM 1137 O ALA A 75 9.823 8.381 -2.167 1.00 0.19 O ATOM 1138 CB ALA A 75 7.025 9.233 -2.976 1.00 0.23 C ATOM 0 H ALA A 75 8.754 9.068 -4.871 1.00 0.21 H new ATOM 0 HA ALA A 75 8.106 11.065 -2.819 1.00 0.19 H new ATOM 0 HB1 ALA A 75 6.629 9.286 -1.962 1.00 0.23 H new ATOM 0 HB2 ALA A 75 6.299 9.653 -3.672 1.00 0.23 H new ATOM 0 HB3 ALA A 75 7.217 8.192 -3.237 1.00 0.23 H new ATOM 1144 N THR A 76 9.636 10.308 -1.027 1.00 0.18 N ATOM 1145 CA THR A 76 10.595 9.916 0.004 1.00 0.18 C ATOM 1146 C THR A 76 9.980 9.998 1.397 1.00 0.21 C ATOM 1147 O THR A 76 9.648 11.081 1.880 1.00 0.26 O ATOM 1148 CB THR A 76 11.863 10.790 -0.046 1.00 0.21 C ATOM 1149 OG1 THR A 76 12.658 10.570 1.124 1.00 1.15 O ATOM 1150 CG2 THR A 76 11.508 12.266 -0.158 1.00 1.26 C ATOM 0 H THR A 76 9.236 11.238 -0.900 1.00 0.18 H new ATOM 0 HA THR A 76 10.870 8.881 -0.200 1.00 0.18 H new ATOM 0 HB THR A 76 12.434 10.507 -0.930 1.00 0.21 H new ATOM 0 HG1 THR A 76 13.462 11.128 1.083 1.00 1.15 H new ATOM 0 HG21 THR A 76 12.422 12.859 -0.191 1.00 1.26 H new ATOM 0 HG22 THR A 76 10.933 12.434 -1.069 1.00 1.26 H new ATOM 0 HG23 THR A 76 10.914 12.564 0.706 1.00 1.26 H new ATOM 1158 N PHE A 77 9.832 8.843 2.038 1.00 0.20 N ATOM 1159 CA PHE A 77 9.249 8.778 3.373 1.00 0.26 C ATOM 1160 C PHE A 77 9.646 7.488 4.084 1.00 0.26 C ATOM 1161 O PHE A 77 9.951 6.483 3.442 1.00 0.29 O ATOM 1162 CB PHE A 77 7.726 8.855 3.275 1.00 0.28 C ATOM 1163 CG PHE A 77 7.131 7.731 2.476 1.00 0.26 C ATOM 1164 CD1 PHE A 77 7.129 7.777 1.091 1.00 0.25 C ATOM 1165 CD2 PHE A 77 6.581 6.625 3.108 1.00 0.32 C ATOM 1166 CE1 PHE A 77 6.591 6.743 0.351 1.00 0.29 C ATOM 1167 CE2 PHE A 77 6.040 5.589 2.372 1.00 0.36 C ATOM 1168 CZ PHE A 77 6.046 5.648 0.991 1.00 0.34 C ATOM 0 H PHE A 77 10.108 7.939 1.654 1.00 0.20 H new ATOM 0 HA PHE A 77 9.627 9.622 3.950 1.00 0.26 H new ATOM 0 HB2 PHE A 77 7.302 8.844 4.279 1.00 0.28 H new ATOM 0 HB3 PHE A 77 7.444 9.805 2.821 1.00 0.28 H new ATOM 0 HD1 PHE A 77 7.553 8.631 0.585 1.00 0.25 H new ATOM 0 HD2 PHE A 77 6.576 6.574 4.187 1.00 0.32 H new ATOM 0 HE1 PHE A 77 6.597 6.791 -0.728 1.00 0.29 H new ATOM 0 HE2 PHE A 77 5.613 4.734 2.875 1.00 0.36 H new ATOM 0 HZ PHE A 77 5.625 4.838 0.413 1.00 0.34 H new ATOM 1178 N GLN A 78 9.641 7.524 5.413 1.00 0.30 N ATOM 1179 CA GLN A 78 9.969 6.349 6.206 1.00 0.36 C ATOM 1180 C GLN A 78 8.733 5.480 6.378 1.00 0.31 C ATOM 1181 O GLN A 78 7.605 5.972 6.422 1.00 0.35 O ATOM 1182 CB GLN A 78 10.539 6.730 7.563 1.00 0.52 C ATOM 1183 CG GLN A 78 9.665 7.688 8.343 1.00 1.03 C ATOM 1184 CD GLN A 78 9.650 7.375 9.826 1.00 1.02 C ATOM 1185 OE1 GLN A 78 9.730 6.090 10.155 1.00 1.58 O flip ATOM 1186 NE2 GLN A 78 9.557 8.273 10.662 1.00 1.00 N flip ATOM 0 H GLN A 78 9.413 8.354 5.961 1.00 0.30 H new ATOM 0 HA GLN A 78 10.736 5.786 5.673 1.00 0.36 H new ATOM 0 HB2 GLN A 78 10.687 5.825 8.152 1.00 0.52 H new ATOM 0 HB3 GLN A 78 11.521 7.181 7.421 1.00 0.52 H new ATOM 0 HG2 GLN A 78 10.022 8.707 8.192 1.00 1.03 H new ATOM 0 HG3 GLN A 78 8.647 7.646 7.955 1.00 1.03 H new ATOM 0 HE21 GLN A 78 9.498 9.246 10.361 1.00 1.00 H new ATOM 0 HE22 GLN A 78 9.539 8.045 11.656 1.00 1.00 H new ATOM 1195 N VAL A 79 8.965 4.186 6.476 1.00 0.30 N ATOM 1196 CA VAL A 79 7.894 3.200 6.586 1.00 0.31 C ATOM 1197 C VAL A 79 7.130 3.257 7.915 1.00 0.32 C ATOM 1198 O VAL A 79 5.969 2.858 7.973 1.00 0.42 O ATOM 1199 CB VAL A 79 8.452 1.778 6.387 1.00 0.36 C ATOM 1200 CG1 VAL A 79 9.447 1.758 5.239 1.00 1.07 C ATOM 1201 CG2 VAL A 79 9.100 1.262 7.662 1.00 0.90 C ATOM 0 H VAL A 79 9.902 3.782 6.482 1.00 0.30 H new ATOM 0 HA VAL A 79 7.183 3.450 5.799 1.00 0.31 H new ATOM 0 HB VAL A 79 7.620 1.118 6.142 1.00 0.36 H new ATOM 0 HG11 VAL A 79 9.833 0.747 5.110 1.00 1.07 H new ATOM 0 HG12 VAL A 79 8.951 2.077 4.322 1.00 1.07 H new ATOM 0 HG13 VAL A 79 10.271 2.436 5.460 1.00 1.07 H new ATOM 0 HG21 VAL A 79 9.485 0.256 7.493 1.00 0.90 H new ATOM 0 HG22 VAL A 79 9.920 1.922 7.946 1.00 0.90 H new ATOM 0 HG23 VAL A 79 8.360 1.237 8.462 1.00 0.90 H new ATOM 1211 N SER A 80 7.766 3.745 8.974 1.00 0.30 N ATOM 1212 CA SER A 80 7.117 3.803 10.286 1.00 0.36 C ATOM 1213 C SER A 80 6.289 5.075 10.477 1.00 0.34 C ATOM 1214 O SER A 80 5.645 5.249 11.512 1.00 0.42 O ATOM 1215 CB SER A 80 8.160 3.692 11.399 1.00 0.46 C ATOM 1216 OG SER A 80 7.547 3.699 12.675 1.00 1.14 O ATOM 0 H SER A 80 8.721 4.104 8.955 1.00 0.30 H new ATOM 0 HA SER A 80 6.431 2.958 10.337 1.00 0.36 H new ATOM 0 HB2 SER A 80 8.734 2.774 11.273 1.00 0.46 H new ATOM 0 HB3 SER A 80 8.864 4.521 11.326 1.00 0.46 H new ATOM 0 HG SER A 80 6.733 4.244 12.644 1.00 1.14 H new ATOM 1222 N GLN A 81 6.301 5.959 9.486 1.00 0.31 N ATOM 1223 CA GLN A 81 5.552 7.213 9.578 1.00 0.36 C ATOM 1224 C GLN A 81 4.172 7.115 8.919 1.00 0.32 C ATOM 1225 O GLN A 81 3.454 8.110 8.824 1.00 0.37 O ATOM 1226 CB GLN A 81 6.352 8.351 8.940 1.00 0.46 C ATOM 1227 CG GLN A 81 5.840 9.740 9.288 1.00 1.09 C ATOM 1228 CD GLN A 81 6.743 10.841 8.764 1.00 1.48 C ATOM 1229 OE1 GLN A 81 8.039 10.553 8.681 1.00 2.08 O flip ATOM 1230 NE2 GLN A 81 6.283 11.936 8.442 1.00 1.80 N flip ATOM 0 H GLN A 81 6.816 5.835 8.614 1.00 0.31 H new ATOM 0 HA GLN A 81 5.396 7.419 10.637 1.00 0.36 H new ATOM 0 HB2 GLN A 81 7.393 8.270 9.254 1.00 0.46 H new ATOM 0 HB3 GLN A 81 6.335 8.230 7.857 1.00 0.46 H new ATOM 0 HG2 GLN A 81 4.839 9.869 8.876 1.00 1.09 H new ATOM 0 HG3 GLN A 81 5.753 9.831 10.371 1.00 1.09 H new ATOM 0 HE21 GLN A 81 5.282 12.112 8.523 1.00 1.80 H new ATOM 0 HE22 GLN A 81 6.903 12.667 8.095 1.00 1.80 H new ATOM 1239 N VAL A 82 3.797 5.920 8.470 1.00 0.26 N ATOM 1240 CA VAL A 82 2.502 5.733 7.817 1.00 0.26 C ATOM 1241 C VAL A 82 1.561 4.846 8.635 1.00 0.24 C ATOM 1242 O VAL A 82 1.867 4.476 9.769 1.00 0.24 O ATOM 1243 CB VAL A 82 2.665 5.144 6.403 1.00 0.30 C ATOM 1244 CG1 VAL A 82 3.007 6.244 5.408 1.00 0.45 C ATOM 1245 CG2 VAL A 82 3.731 4.061 6.393 1.00 0.25 C ATOM 0 H VAL A 82 4.363 5.075 8.544 1.00 0.26 H new ATOM 0 HA VAL A 82 2.055 6.724 7.742 1.00 0.26 H new ATOM 0 HB VAL A 82 1.719 4.692 6.106 1.00 0.30 H new ATOM 0 HG11 VAL A 82 3.119 5.813 4.413 1.00 0.45 H new ATOM 0 HG12 VAL A 82 2.207 6.984 5.395 1.00 0.45 H new ATOM 0 HG13 VAL A 82 3.940 6.724 5.703 1.00 0.45 H new ATOM 0 HG21 VAL A 82 3.831 3.658 5.385 1.00 0.25 H new ATOM 0 HG22 VAL A 82 4.684 4.485 6.710 1.00 0.25 H new ATOM 0 HG23 VAL A 82 3.444 3.262 7.077 1.00 0.25 H new ATOM 1255 N ILE A 83 0.414 4.512 8.043 1.00 0.25 N ATOM 1256 CA ILE A 83 -0.596 3.686 8.702 1.00 0.26 C ATOM 1257 C ILE A 83 -0.032 2.342 9.168 1.00 0.26 C ATOM 1258 O ILE A 83 0.998 1.888 8.668 1.00 0.23 O ATOM 1259 CB ILE A 83 -1.799 3.433 7.770 1.00 0.30 C ATOM 1260 CG1 ILE A 83 -1.346 2.703 6.503 1.00 0.29 C ATOM 1261 CG2 ILE A 83 -2.474 4.750 7.417 1.00 0.32 C ATOM 1262 CD1 ILE A 83 -2.484 2.310 5.586 1.00 0.75 C ATOM 0 H ILE A 83 0.161 4.805 7.099 1.00 0.25 H new ATOM 0 HA ILE A 83 -0.923 4.244 9.579 1.00 0.26 H new ATOM 0 HB ILE A 83 -2.520 2.802 8.290 1.00 0.30 H new ATOM 0 HG12 ILE A 83 -0.654 3.342 5.955 1.00 0.29 H new ATOM 0 HG13 ILE A 83 -0.795 1.807 6.788 1.00 0.29 H new ATOM 0 HG21 ILE A 83 -3.322 4.559 6.759 1.00 0.32 H new ATOM 0 HG22 ILE A 83 -2.824 5.235 8.328 1.00 0.32 H new ATOM 0 HG23 ILE A 83 -1.761 5.400 6.911 1.00 0.32 H new ATOM 0 HD11 ILE A 83 -2.085 1.798 4.710 1.00 0.75 H new ATOM 0 HD12 ILE A 83 -3.166 1.645 6.116 1.00 0.75 H new ATOM 0 HD13 ILE A 83 -3.022 3.204 5.270 1.00 0.75 H new ATOM 1274 N PRO A 84 -0.701 1.690 10.141 1.00 0.32 N ATOM 1275 CA PRO A 84 -0.263 0.396 10.681 1.00 0.34 C ATOM 1276 C PRO A 84 0.004 -0.645 9.596 1.00 0.31 C ATOM 1277 O PRO A 84 1.030 -1.327 9.612 1.00 0.32 O ATOM 1278 CB PRO A 84 -1.440 -0.039 11.556 1.00 0.43 C ATOM 1279 CG PRO A 84 -2.088 1.235 11.970 1.00 0.65 C ATOM 1280 CD PRO A 84 -1.936 2.166 10.801 1.00 0.41 C ATOM 0 HA PRO A 84 0.682 0.486 11.217 1.00 0.34 H new ATOM 0 HB2 PRO A 84 -2.132 -0.675 11.003 1.00 0.43 H new ATOM 0 HB3 PRO A 84 -1.102 -0.611 12.420 1.00 0.43 H new ATOM 0 HG2 PRO A 84 -3.139 1.079 12.212 1.00 0.65 H new ATOM 0 HG3 PRO A 84 -1.613 1.645 12.861 1.00 0.65 H new ATOM 0 HD2 PRO A 84 -2.795 2.114 10.132 1.00 0.41 H new ATOM 0 HD3 PRO A 84 -1.845 3.203 11.123 1.00 0.41 H new ATOM 1288 N GLY A 85 -0.926 -0.771 8.661 1.00 0.31 N ATOM 1289 CA GLY A 85 -0.767 -1.735 7.589 1.00 0.31 C ATOM 1290 C GLY A 85 0.477 -1.489 6.750 1.00 0.27 C ATOM 1291 O GLY A 85 1.259 -2.405 6.505 1.00 0.28 O ATOM 0 H GLY A 85 -1.787 -0.225 8.624 1.00 0.31 H new ATOM 0 HA2 GLY A 85 -0.720 -2.738 8.013 1.00 0.31 H new ATOM 0 HA3 GLY A 85 -1.646 -1.702 6.945 1.00 0.31 H new ATOM 1295 N TRP A 86 0.669 -0.243 6.325 1.00 0.25 N ATOM 1296 CA TRP A 86 1.812 0.118 5.487 1.00 0.25 C ATOM 1297 C TRP A 86 3.150 -0.073 6.202 1.00 0.24 C ATOM 1298 O TRP A 86 4.092 -0.604 5.620 1.00 0.30 O ATOM 1299 CB TRP A 86 1.683 1.568 5.013 1.00 0.25 C ATOM 1300 CG TRP A 86 1.318 1.703 3.563 1.00 0.21 C ATOM 1301 CD1 TRP A 86 0.497 0.886 2.837 1.00 0.26 C ATOM 1302 CD2 TRP A 86 1.760 2.725 2.664 1.00 0.34 C ATOM 1303 NE1 TRP A 86 0.414 1.333 1.540 1.00 0.19 N ATOM 1304 CE2 TRP A 86 1.178 2.462 1.410 1.00 0.28 C ATOM 1305 CE3 TRP A 86 2.594 3.839 2.797 1.00 0.60 C ATOM 1306 CZ2 TRP A 86 1.402 3.271 0.299 1.00 0.44 C ATOM 1307 CZ3 TRP A 86 2.816 4.640 1.693 1.00 0.78 C ATOM 1308 CH2 TRP A 86 2.222 4.353 0.458 1.00 0.70 C ATOM 0 H TRP A 86 0.048 0.535 6.547 1.00 0.25 H new ATOM 0 HA TRP A 86 1.801 -0.556 4.631 1.00 0.25 H new ATOM 0 HB2 TRP A 86 0.928 2.071 5.616 1.00 0.25 H new ATOM 0 HB3 TRP A 86 2.627 2.083 5.190 1.00 0.25 H new ATOM 0 HD1 TRP A 86 -0.012 0.016 3.226 1.00 0.26 H new ATOM 0 HE1 TRP A 86 -0.128 0.895 0.795 1.00 0.19 H new ATOM 0 HE3 TRP A 86 3.056 4.069 3.745 1.00 0.60 H new ATOM 0 HZ2 TRP A 86 0.944 3.051 -0.654 1.00 0.44 H new ATOM 0 HZ3 TRP A 86 3.459 5.503 1.784 1.00 0.78 H new ATOM 0 HH2 TRP A 86 2.415 4.999 -0.385 1.00 0.70 H new ATOM 1319 N THR A 87 3.239 0.363 7.453 1.00 0.23 N ATOM 1320 CA THR A 87 4.486 0.246 8.208 1.00 0.26 C ATOM 1321 C THR A 87 4.931 -1.208 8.360 1.00 0.25 C ATOM 1322 O THR A 87 6.125 -1.503 8.315 1.00 0.26 O ATOM 1323 CB THR A 87 4.374 0.892 9.604 1.00 0.33 C ATOM 1324 OG1 THR A 87 5.627 0.789 10.293 1.00 1.40 O ATOM 1325 CG2 THR A 87 3.284 0.232 10.429 1.00 1.25 C ATOM 0 H THR A 87 2.471 0.798 7.965 1.00 0.23 H new ATOM 0 HA THR A 87 5.238 0.783 7.629 1.00 0.26 H new ATOM 0 HB THR A 87 4.115 1.942 9.469 1.00 0.33 H new ATOM 0 HG1 THR A 87 6.361 0.952 9.664 1.00 1.40 H new ATOM 0 HG21 THR A 87 3.229 0.709 11.408 1.00 1.25 H new ATOM 0 HG22 THR A 87 2.327 0.339 9.919 1.00 1.25 H new ATOM 0 HG23 THR A 87 3.512 -0.826 10.554 1.00 1.25 H new ATOM 1333 N GLU A 88 3.972 -2.112 8.540 1.00 0.25 N ATOM 1334 CA GLU A 88 4.284 -3.529 8.709 1.00 0.28 C ATOM 1335 C GLU A 88 4.780 -4.166 7.409 1.00 0.28 C ATOM 1336 O GLU A 88 5.694 -4.990 7.421 1.00 0.34 O ATOM 1337 CB GLU A 88 3.060 -4.286 9.225 1.00 0.33 C ATOM 1338 CG GLU A 88 3.340 -5.747 9.537 1.00 0.69 C ATOM 1339 CD GLU A 88 4.372 -5.921 10.634 1.00 0.86 C ATOM 1340 OE1 GLU A 88 3.985 -5.904 11.823 1.00 1.43 O ATOM 1341 OE2 GLU A 88 5.568 -6.072 10.305 1.00 1.15 O ATOM 0 H GLU A 88 2.977 -1.891 8.573 1.00 0.25 H new ATOM 0 HA GLU A 88 5.089 -3.597 9.441 1.00 0.28 H new ATOM 0 HB2 GLU A 88 2.691 -3.794 10.125 1.00 0.33 H new ATOM 0 HB3 GLU A 88 2.265 -4.227 8.481 1.00 0.33 H new ATOM 0 HG2 GLU A 88 2.412 -6.235 9.835 1.00 0.69 H new ATOM 0 HG3 GLU A 88 3.688 -6.248 8.633 1.00 0.69 H new ATOM 1348 N ALA A 89 4.161 -3.798 6.291 1.00 0.26 N ATOM 1349 CA ALA A 89 4.541 -4.348 4.991 1.00 0.29 C ATOM 1350 C ALA A 89 5.838 -3.732 4.465 1.00 0.29 C ATOM 1351 O ALA A 89 6.772 -4.446 4.098 1.00 0.33 O ATOM 1352 CB ALA A 89 3.418 -4.135 3.986 1.00 0.29 C ATOM 0 H ALA A 89 3.396 -3.124 6.257 1.00 0.26 H new ATOM 0 HA ALA A 89 4.715 -5.416 5.125 1.00 0.29 H new ATOM 0 HB1 ALA A 89 3.710 -4.548 3.021 1.00 0.29 H new ATOM 0 HB2 ALA A 89 2.516 -4.636 4.337 1.00 0.29 H new ATOM 0 HB3 ALA A 89 3.222 -3.068 3.880 1.00 0.29 H new ATOM 1358 N LEU A 90 5.881 -2.405 4.428 1.00 0.28 N ATOM 1359 CA LEU A 90 7.043 -1.673 3.926 1.00 0.31 C ATOM 1360 C LEU A 90 8.330 -2.019 4.676 1.00 0.35 C ATOM 1361 O LEU A 90 9.407 -2.044 4.080 1.00 0.39 O ATOM 1362 CB LEU A 90 6.793 -0.165 4.012 1.00 0.33 C ATOM 1363 CG LEU A 90 6.077 0.457 2.809 1.00 0.33 C ATOM 1364 CD1 LEU A 90 6.939 0.350 1.561 1.00 0.39 C ATOM 1365 CD2 LEU A 90 4.724 -0.202 2.584 1.00 0.32 C ATOM 0 H LEU A 90 5.117 -1.807 4.743 1.00 0.28 H new ATOM 0 HA LEU A 90 7.179 -1.974 2.887 1.00 0.31 H new ATOM 0 HB2 LEU A 90 6.204 0.037 4.907 1.00 0.33 H new ATOM 0 HB3 LEU A 90 7.752 0.337 4.141 1.00 0.33 H new ATOM 0 HG LEU A 90 5.909 1.513 3.022 1.00 0.33 H new ATOM 0 HD11 LEU A 90 6.414 0.797 0.717 1.00 0.39 H new ATOM 0 HD12 LEU A 90 7.880 0.876 1.723 1.00 0.39 H new ATOM 0 HD13 LEU A 90 7.142 -0.700 1.348 1.00 0.39 H new ATOM 0 HD21 LEU A 90 4.234 0.256 1.725 1.00 0.32 H new ATOM 0 HD22 LEU A 90 4.864 -1.267 2.397 1.00 0.32 H new ATOM 0 HD23 LEU A 90 4.103 -0.068 3.469 1.00 0.32 H new ATOM 1377 N GLN A 91 8.227 -2.282 5.976 1.00 0.37 N ATOM 1378 CA GLN A 91 9.406 -2.605 6.779 1.00 0.43 C ATOM 1379 C GLN A 91 10.038 -3.926 6.346 1.00 0.39 C ATOM 1380 O GLN A 91 11.090 -4.313 6.852 1.00 0.43 O ATOM 1381 CB GLN A 91 9.053 -2.660 8.268 1.00 0.52 C ATOM 1382 CG GLN A 91 8.134 -3.811 8.639 1.00 1.07 C ATOM 1383 CD GLN A 91 7.950 -3.950 10.138 1.00 1.32 C ATOM 1384 OE1 GLN A 91 7.044 -3.357 10.722 1.00 1.87 O ATOM 1385 NE2 GLN A 91 8.816 -4.736 10.769 1.00 1.80 N ATOM 0 H GLN A 91 7.348 -2.278 6.494 1.00 0.37 H new ATOM 0 HA GLN A 91 10.134 -1.810 6.616 1.00 0.43 H new ATOM 0 HB2 GLN A 91 9.973 -2.741 8.847 1.00 0.52 H new ATOM 0 HB3 GLN A 91 8.578 -1.722 8.554 1.00 0.52 H new ATOM 0 HG2 GLN A 91 7.162 -3.661 8.170 1.00 1.07 H new ATOM 0 HG3 GLN A 91 8.541 -4.740 8.239 1.00 1.07 H new ATOM 0 HE21 GLN A 91 9.552 -5.209 10.244 1.00 1.80 H new ATOM 0 HE22 GLN A 91 8.745 -4.867 11.778 1.00 1.80 H new ATOM 1394 N LEU A 92 9.393 -4.615 5.408 1.00 0.37 N ATOM 1395 CA LEU A 92 9.904 -5.890 4.915 1.00 0.36 C ATOM 1396 C LEU A 92 10.448 -5.755 3.495 1.00 0.32 C ATOM 1397 O LEU A 92 11.052 -6.687 2.963 1.00 0.39 O ATOM 1398 CB LEU A 92 8.803 -6.952 4.948 1.00 0.38 C ATOM 1399 CG LEU A 92 8.194 -7.219 6.326 1.00 0.59 C ATOM 1400 CD1 LEU A 92 7.034 -8.195 6.215 1.00 1.17 C ATOM 1401 CD2 LEU A 92 9.249 -7.754 7.284 1.00 1.31 C ATOM 0 H LEU A 92 8.520 -4.313 4.976 1.00 0.37 H new ATOM 0 HA LEU A 92 10.721 -6.197 5.568 1.00 0.36 H new ATOM 0 HB2 LEU A 92 8.006 -6.647 4.270 1.00 0.38 H new ATOM 0 HB3 LEU A 92 9.210 -7.886 4.562 1.00 0.38 H new ATOM 0 HG LEU A 92 7.817 -6.276 6.722 1.00 0.59 H new ATOM 0 HD11 LEU A 92 6.613 -8.374 7.204 1.00 1.17 H new ATOM 0 HD12 LEU A 92 6.267 -7.776 5.564 1.00 1.17 H new ATOM 0 HD13 LEU A 92 7.390 -9.137 5.797 1.00 1.17 H new ATOM 0 HD21 LEU A 92 8.796 -7.938 8.258 1.00 1.31 H new ATOM 0 HD22 LEU A 92 9.657 -8.686 6.892 1.00 1.31 H new ATOM 0 HD23 LEU A 92 10.050 -7.022 7.388 1.00 1.31 H new ATOM 1413 N MET A 93 10.232 -4.593 2.887 1.00 0.31 N ATOM 1414 CA MET A 93 10.699 -4.343 1.526 1.00 0.33 C ATOM 1415 C MET A 93 12.197 -4.032 1.506 1.00 0.23 C ATOM 1416 O MET A 93 12.625 -2.999 2.022 1.00 0.23 O ATOM 1417 CB MET A 93 9.922 -3.181 0.903 1.00 0.45 C ATOM 1418 CG MET A 93 9.891 -3.215 -0.615 1.00 1.05 C ATOM 1419 SD MET A 93 8.944 -1.852 -1.315 1.00 1.05 S ATOM 1420 CE MET A 93 9.092 -2.202 -3.064 1.00 1.66 C ATOM 0 H MET A 93 9.737 -3.810 3.314 1.00 0.31 H new ATOM 0 HA MET A 93 10.526 -5.247 0.942 1.00 0.33 H new ATOM 0 HB2 MET A 93 8.899 -3.196 1.279 1.00 0.45 H new ATOM 0 HB3 MET A 93 10.368 -2.241 1.228 1.00 0.45 H new ATOM 0 HG2 MET A 93 10.911 -3.179 -0.997 1.00 1.05 H new ATOM 0 HG3 MET A 93 9.460 -4.160 -0.946 1.00 1.05 H new ATOM 0 HE1 MET A 93 8.882 -1.298 -3.635 1.00 1.66 H new ATOM 0 HE2 MET A 93 10.104 -2.542 -3.283 1.00 1.66 H new ATOM 0 HE3 MET A 93 8.380 -2.980 -3.341 1.00 1.66 H new ATOM 1430 N PRO A 94 13.020 -4.924 0.915 1.00 0.25 N ATOM 1431 CA PRO A 94 14.468 -4.729 0.828 1.00 0.23 C ATOM 1432 C PRO A 94 14.841 -3.726 -0.258 1.00 0.21 C ATOM 1433 O PRO A 94 14.219 -3.691 -1.320 1.00 0.21 O ATOM 1434 CB PRO A 94 15.012 -6.122 0.473 1.00 0.31 C ATOM 1435 CG PRO A 94 13.835 -7.046 0.485 1.00 0.44 C ATOM 1436 CD PRO A 94 12.619 -6.190 0.291 1.00 0.37 C ATOM 0 HA PRO A 94 14.878 -4.329 1.755 1.00 0.23 H new ATOM 0 HB2 PRO A 94 15.491 -6.115 -0.506 1.00 0.31 H new ATOM 0 HB3 PRO A 94 15.765 -6.441 1.194 1.00 0.31 H new ATOM 0 HG2 PRO A 94 13.917 -7.789 -0.308 1.00 0.44 H new ATOM 0 HG3 PRO A 94 13.779 -7.591 1.427 1.00 0.44 H new ATOM 0 HD2 PRO A 94 12.376 -6.063 -0.764 1.00 0.37 H new ATOM 0 HD3 PRO A 94 11.740 -6.619 0.772 1.00 0.37 H new ATOM 1444 N ALA A 95 15.856 -2.909 0.015 1.00 0.24 N ATOM 1445 CA ALA A 95 16.312 -1.905 -0.941 1.00 0.27 C ATOM 1446 C ALA A 95 16.549 -2.513 -2.320 1.00 0.27 C ATOM 1447 O ALA A 95 17.250 -3.512 -2.453 1.00 0.31 O ATOM 1448 CB ALA A 95 17.584 -1.244 -0.434 1.00 0.36 C ATOM 0 H ALA A 95 16.378 -2.923 0.891 1.00 0.24 H new ATOM 0 HA ALA A 95 15.529 -1.153 -1.039 1.00 0.27 H new ATOM 0 HB1 ALA A 95 17.917 -0.496 -1.154 1.00 0.36 H new ATOM 0 HB2 ALA A 95 17.387 -0.763 0.524 1.00 0.36 H new ATOM 0 HB3 ALA A 95 18.361 -1.998 -0.309 1.00 0.36 H new ATOM 1454 N GLY A 96 15.957 -1.907 -3.345 1.00 0.27 N ATOM 1455 CA GLY A 96 16.130 -2.402 -4.699 1.00 0.28 C ATOM 1456 C GLY A 96 15.054 -3.389 -5.120 1.00 0.28 C ATOM 1457 O GLY A 96 15.100 -3.922 -6.229 1.00 0.34 O ATOM 0 H GLY A 96 15.361 -1.083 -3.262 1.00 0.27 H new ATOM 0 HA2 GLY A 96 16.130 -1.559 -5.390 1.00 0.28 H new ATOM 0 HA3 GLY A 96 17.105 -2.881 -4.781 1.00 0.28 H new ATOM 1461 N SER A 97 14.086 -3.637 -4.242 1.00 0.24 N ATOM 1462 CA SER A 97 13.007 -4.574 -4.546 1.00 0.24 C ATOM 1463 C SER A 97 11.794 -3.866 -5.146 1.00 0.19 C ATOM 1464 O SER A 97 11.795 -2.649 -5.330 1.00 0.21 O ATOM 1465 CB SER A 97 12.591 -5.337 -3.287 1.00 0.28 C ATOM 1466 OG SER A 97 13.708 -5.962 -2.679 1.00 1.41 O ATOM 0 H SER A 97 14.026 -3.206 -3.320 1.00 0.24 H new ATOM 0 HA SER A 97 13.387 -5.277 -5.287 1.00 0.24 H new ATOM 0 HB2 SER A 97 12.124 -4.652 -2.580 1.00 0.28 H new ATOM 0 HB3 SER A 97 11.844 -6.089 -3.543 1.00 0.28 H new ATOM 0 HG SER A 97 14.146 -5.330 -2.072 1.00 1.41 H new ATOM 1472 N THR A 98 10.759 -4.650 -5.448 1.00 0.17 N ATOM 1473 CA THR A 98 9.530 -4.129 -6.031 1.00 0.14 C ATOM 1474 C THR A 98 8.329 -4.902 -5.498 1.00 0.13 C ATOM 1475 O THR A 98 8.236 -6.117 -5.674 1.00 0.23 O ATOM 1476 CB THR A 98 9.548 -4.233 -7.566 1.00 0.16 C ATOM 1477 OG1 THR A 98 10.838 -3.864 -8.066 1.00 0.20 O ATOM 1478 CG2 THR A 98 8.482 -3.337 -8.179 1.00 0.18 C ATOM 0 H THR A 98 10.752 -5.658 -5.295 1.00 0.17 H new ATOM 0 HA THR A 98 9.454 -3.078 -5.752 1.00 0.14 H new ATOM 0 HB THR A 98 9.335 -5.265 -7.843 1.00 0.16 H new ATOM 0 HG1 THR A 98 10.732 -3.270 -8.838 1.00 0.20 H new ATOM 0 HG21 THR A 98 8.512 -3.426 -9.265 1.00 0.18 H new ATOM 0 HG22 THR A 98 7.500 -3.641 -7.817 1.00 0.18 H new ATOM 0 HG23 THR A 98 8.669 -2.302 -7.894 1.00 0.18 H new ATOM 1486 N TRP A 99 7.409 -4.196 -4.849 1.00 0.16 N ATOM 1487 CA TRP A 99 6.230 -4.831 -4.276 1.00 0.15 C ATOM 1488 C TRP A 99 4.949 -4.090 -4.626 1.00 0.16 C ATOM 1489 O TRP A 99 4.949 -2.878 -4.828 1.00 0.18 O ATOM 1490 CB TRP A 99 6.352 -4.894 -2.750 1.00 0.19 C ATOM 1491 CG TRP A 99 6.954 -6.161 -2.222 1.00 0.17 C ATOM 1492 CD1 TRP A 99 7.275 -7.286 -2.925 1.00 0.25 C ATOM 1493 CD2 TRP A 99 7.299 -6.429 -0.858 1.00 0.26 C ATOM 1494 NE1 TRP A 99 7.800 -8.234 -2.081 1.00 0.29 N ATOM 1495 CE2 TRP A 99 7.826 -7.732 -0.809 1.00 0.28 C ATOM 1496 CE3 TRP A 99 7.213 -5.691 0.326 1.00 0.42 C ATOM 1497 CZ2 TRP A 99 8.266 -8.313 0.376 1.00 0.38 C ATOM 1498 CZ3 TRP A 99 7.650 -6.269 1.503 1.00 0.53 C ATOM 1499 CH2 TRP A 99 8.172 -7.570 1.520 1.00 0.49 C ATOM 0 H TRP A 99 7.458 -3.187 -4.707 1.00 0.16 H new ATOM 0 HA TRP A 99 6.177 -5.834 -4.699 1.00 0.15 H new ATOM 0 HB2 TRP A 99 6.957 -4.052 -2.412 1.00 0.19 H new ATOM 0 HB3 TRP A 99 5.361 -4.770 -2.314 1.00 0.19 H new ATOM 0 HD1 TRP A 99 7.137 -7.412 -3.989 1.00 0.25 H new ATOM 0 HE1 TRP A 99 8.119 -9.162 -2.358 1.00 0.29 H new ATOM 0 HE3 TRP A 99 6.813 -4.688 0.321 1.00 0.42 H new ATOM 0 HZ2 TRP A 99 8.668 -9.315 0.392 1.00 0.38 H new ATOM 0 HZ3 TRP A 99 7.588 -5.709 2.425 1.00 0.53 H new ATOM 0 HH2 TRP A 99 8.507 -7.994 2.455 1.00 0.49 H new ATOM 1510 N GLU A 100 3.862 -4.844 -4.697 1.00 0.17 N ATOM 1511 CA GLU A 100 2.544 -4.288 -4.959 1.00 0.20 C ATOM 1512 C GLU A 100 1.638 -4.680 -3.802 1.00 0.19 C ATOM 1513 O GLU A 100 1.227 -5.833 -3.695 1.00 0.19 O ATOM 1514 CB GLU A 100 1.990 -4.824 -6.284 1.00 0.27 C ATOM 1515 CG GLU A 100 0.511 -4.545 -6.491 1.00 0.95 C ATOM 1516 CD GLU A 100 0.031 -4.937 -7.876 1.00 0.95 C ATOM 1517 OE1 GLU A 100 0.198 -4.127 -8.811 1.00 1.37 O ATOM 1518 OE2 GLU A 100 -0.509 -6.053 -8.023 1.00 1.20 O ATOM 0 H GLU A 100 3.869 -5.857 -4.575 1.00 0.17 H new ATOM 0 HA GLU A 100 2.600 -3.203 -5.043 1.00 0.20 H new ATOM 0 HB2 GLU A 100 2.552 -4.382 -7.107 1.00 0.27 H new ATOM 0 HB3 GLU A 100 2.156 -5.900 -6.327 1.00 0.27 H new ATOM 0 HG2 GLU A 100 -0.066 -5.089 -5.743 1.00 0.95 H new ATOM 0 HG3 GLU A 100 0.319 -3.484 -6.331 1.00 0.95 H new ATOM 1525 N ILE A 101 1.313 -3.718 -2.948 1.00 0.18 N ATOM 1526 CA ILE A 101 0.499 -4.003 -1.779 1.00 0.18 C ATOM 1527 C ILE A 101 -0.902 -3.419 -1.876 1.00 0.18 C ATOM 1528 O ILE A 101 -1.099 -2.295 -2.336 1.00 0.19 O ATOM 1529 CB ILE A 101 1.167 -3.466 -0.498 1.00 0.20 C ATOM 1530 CG1 ILE A 101 1.439 -1.965 -0.620 1.00 0.18 C ATOM 1531 CG2 ILE A 101 2.459 -4.218 -0.214 1.00 0.25 C ATOM 1532 CD1 ILE A 101 1.901 -1.328 0.672 1.00 0.22 C ATOM 0 H ILE A 101 1.598 -2.743 -3.043 1.00 0.18 H new ATOM 0 HA ILE A 101 0.414 -5.089 -1.735 1.00 0.18 H new ATOM 0 HB ILE A 101 0.484 -3.625 0.336 1.00 0.20 H new ATOM 0 HG12 ILE A 101 2.196 -1.802 -1.387 1.00 0.18 H new ATOM 0 HG13 ILE A 101 0.531 -1.466 -0.958 1.00 0.18 H new ATOM 0 HG21 ILE A 101 2.917 -3.825 0.694 1.00 0.25 H new ATOM 0 HG22 ILE A 101 2.242 -5.278 -0.082 1.00 0.25 H new ATOM 0 HG23 ILE A 101 3.146 -4.090 -1.051 1.00 0.25 H new ATOM 0 HD11 ILE A 101 2.075 -0.264 0.511 1.00 0.22 H new ATOM 0 HD12 ILE A 101 1.135 -1.459 1.437 1.00 0.22 H new ATOM 0 HD13 ILE A 101 2.826 -1.801 1.000 1.00 0.22 H new ATOM 1544 N TYR A 102 -1.866 -4.209 -1.428 1.00 0.21 N ATOM 1545 CA TYR A 102 -3.260 -3.804 -1.402 1.00 0.22 C ATOM 1546 C TYR A 102 -3.761 -3.914 0.032 1.00 0.22 C ATOM 1547 O TYR A 102 -4.033 -5.010 0.523 1.00 0.21 O ATOM 1548 CB TYR A 102 -4.094 -4.680 -2.344 1.00 0.21 C ATOM 1549 CG TYR A 102 -3.429 -5.992 -2.704 1.00 0.22 C ATOM 1550 CD1 TYR A 102 -2.559 -6.082 -3.786 1.00 0.22 C ATOM 1551 CD2 TYR A 102 -3.671 -7.140 -1.964 1.00 0.24 C ATOM 1552 CE1 TYR A 102 -1.949 -7.278 -4.114 1.00 0.25 C ATOM 1553 CE2 TYR A 102 -3.066 -8.339 -2.287 1.00 0.27 C ATOM 1554 CZ TYR A 102 -2.206 -8.402 -3.362 1.00 0.27 C ATOM 1555 OH TYR A 102 -1.602 -9.596 -3.688 1.00 0.31 O ATOM 0 H TYR A 102 -1.702 -5.151 -1.072 1.00 0.21 H new ATOM 0 HA TYR A 102 -3.357 -2.775 -1.747 1.00 0.22 H new ATOM 0 HB2 TYR A 102 -5.056 -4.887 -1.876 1.00 0.21 H new ATOM 0 HB3 TYR A 102 -4.297 -4.123 -3.259 1.00 0.21 H new ATOM 0 HD1 TYR A 102 -2.357 -5.203 -4.379 1.00 0.22 H new ATOM 0 HD2 TYR A 102 -4.344 -7.096 -1.121 1.00 0.24 H new ATOM 0 HE1 TYR A 102 -1.274 -7.330 -4.956 1.00 0.25 H new ATOM 0 HE2 TYR A 102 -3.266 -9.223 -1.700 1.00 0.27 H new ATOM 0 HH TYR A 102 -1.227 -9.537 -4.592 1.00 0.31 H new ATOM 1565 N VAL A 103 -3.879 -2.772 0.699 1.00 0.26 N ATOM 1566 CA VAL A 103 -4.296 -2.742 2.094 1.00 0.29 C ATOM 1567 C VAL A 103 -5.719 -2.219 2.267 1.00 0.29 C ATOM 1568 O VAL A 103 -5.931 -1.006 2.293 1.00 0.38 O ATOM 1569 CB VAL A 103 -3.363 -1.837 2.919 1.00 0.39 C ATOM 1570 CG1 VAL A 103 -3.475 -2.162 4.400 1.00 0.52 C ATOM 1571 CG2 VAL A 103 -1.926 -1.962 2.437 1.00 0.33 C ATOM 0 H VAL A 103 -3.691 -1.854 0.295 1.00 0.26 H new ATOM 0 HA VAL A 103 -4.250 -3.773 2.444 1.00 0.29 H new ATOM 0 HB VAL A 103 -3.674 -0.802 2.777 1.00 0.39 H new ATOM 0 HG11 VAL A 103 -2.808 -1.512 4.967 1.00 0.52 H new ATOM 0 HG12 VAL A 103 -4.502 -2.005 4.730 1.00 0.52 H new ATOM 0 HG13 VAL A 103 -3.195 -3.202 4.566 1.00 0.52 H new ATOM 0 HG21 VAL A 103 -1.284 -1.314 3.034 1.00 0.33 H new ATOM 0 HG22 VAL A 103 -1.596 -2.996 2.541 1.00 0.33 H new ATOM 0 HG23 VAL A 103 -1.867 -1.666 1.390 1.00 0.33 H new ATOM 1581 N PRO A 104 -6.722 -3.111 2.384 1.00 0.28 N ATOM 1582 CA PRO A 104 -8.102 -2.687 2.598 1.00 0.34 C ATOM 1583 C PRO A 104 -8.197 -1.768 3.811 1.00 0.34 C ATOM 1584 O PRO A 104 -7.411 -1.898 4.751 1.00 0.31 O ATOM 1585 CB PRO A 104 -8.867 -3.994 2.848 1.00 0.39 C ATOM 1586 CG PRO A 104 -7.826 -5.049 3.035 1.00 0.48 C ATOM 1587 CD PRO A 104 -6.604 -4.575 2.304 1.00 0.33 C ATOM 0 HA PRO A 104 -8.502 -2.126 1.754 1.00 0.34 H new ATOM 0 HB2 PRO A 104 -9.503 -3.912 3.730 1.00 0.39 H new ATOM 0 HB3 PRO A 104 -9.518 -4.232 2.007 1.00 0.39 H new ATOM 0 HG2 PRO A 104 -7.611 -5.199 4.093 1.00 0.48 H new ATOM 0 HG3 PRO A 104 -8.168 -6.006 2.640 1.00 0.48 H new ATOM 0 HD2 PRO A 104 -5.688 -4.933 2.774 1.00 0.33 H new ATOM 0 HD3 PRO A 104 -6.590 -4.924 1.271 1.00 0.33 H new ATOM 1595 N SER A 105 -9.144 -0.834 3.790 1.00 0.45 N ATOM 1596 CA SER A 105 -9.315 0.107 4.896 1.00 0.51 C ATOM 1597 C SER A 105 -9.332 -0.586 6.254 1.00 0.44 C ATOM 1598 O SER A 105 -8.917 -0.005 7.252 1.00 0.48 O ATOM 1599 CB SER A 105 -10.608 0.892 4.719 1.00 0.66 C ATOM 1600 OG SER A 105 -10.403 2.020 3.892 1.00 1.81 O ATOM 0 H SER A 105 -9.804 -0.708 3.022 1.00 0.45 H new ATOM 0 HA SER A 105 -8.457 0.779 4.875 1.00 0.51 H new ATOM 0 HB2 SER A 105 -11.372 0.249 4.281 1.00 0.66 H new ATOM 0 HB3 SER A 105 -10.980 1.212 5.692 1.00 0.66 H new ATOM 0 HG SER A 105 -10.990 2.749 4.182 1.00 1.81 H new ATOM 1606 N GLY A 106 -9.792 -1.831 6.284 1.00 0.38 N ATOM 1607 CA GLY A 106 -9.878 -2.569 7.536 1.00 0.36 C ATOM 1608 C GLY A 106 -8.556 -2.681 8.280 1.00 0.36 C ATOM 1609 O GLY A 106 -8.530 -3.122 9.430 1.00 0.40 O ATOM 0 H GLY A 106 -10.109 -2.346 5.463 1.00 0.38 H new ATOM 0 HA2 GLY A 106 -10.607 -2.082 8.183 1.00 0.36 H new ATOM 0 HA3 GLY A 106 -10.253 -3.571 7.330 1.00 0.36 H new ATOM 1613 N LEU A 107 -7.462 -2.289 7.638 1.00 0.37 N ATOM 1614 CA LEU A 107 -6.144 -2.371 8.262 1.00 0.42 C ATOM 1615 C LEU A 107 -5.577 -0.989 8.579 1.00 0.45 C ATOM 1616 O LEU A 107 -4.453 -0.872 9.070 1.00 0.57 O ATOM 1617 CB LEU A 107 -5.177 -3.144 7.361 1.00 0.61 C ATOM 1618 CG LEU A 107 -5.432 -4.653 7.259 1.00 1.21 C ATOM 1619 CD1 LEU A 107 -5.543 -5.280 8.641 1.00 2.35 C ATOM 1620 CD2 LEU A 107 -6.686 -4.934 6.446 1.00 1.60 C ATOM 0 H LEU A 107 -7.459 -1.913 6.690 1.00 0.37 H new ATOM 0 HA LEU A 107 -6.261 -2.904 9.206 1.00 0.42 H new ATOM 0 HB2 LEU A 107 -5.222 -2.717 6.359 1.00 0.61 H new ATOM 0 HB3 LEU A 107 -4.163 -2.989 7.729 1.00 0.61 H new ATOM 0 HG LEU A 107 -4.581 -5.103 6.747 1.00 1.21 H new ATOM 0 HD11 LEU A 107 -5.724 -6.350 8.542 1.00 2.35 H new ATOM 0 HD12 LEU A 107 -4.615 -5.118 9.190 1.00 2.35 H new ATOM 0 HD13 LEU A 107 -6.370 -4.821 9.183 1.00 2.35 H new ATOM 0 HD21 LEU A 107 -6.848 -6.010 6.387 1.00 1.60 H new ATOM 0 HD22 LEU A 107 -7.544 -4.464 6.927 1.00 1.60 H new ATOM 0 HD23 LEU A 107 -6.566 -4.529 5.441 1.00 1.60 H new ATOM 1632 N ALA A 108 -6.349 0.053 8.293 1.00 0.45 N ATOM 1633 CA ALA A 108 -5.910 1.420 8.556 1.00 0.60 C ATOM 1634 C ALA A 108 -6.894 2.163 9.468 1.00 0.67 C ATOM 1635 O ALA A 108 -7.014 1.837 10.650 1.00 1.03 O ATOM 1636 CB ALA A 108 -5.705 2.171 7.246 1.00 0.66 C ATOM 0 H ALA A 108 -7.279 -0.021 7.880 1.00 0.45 H new ATOM 0 HA ALA A 108 -4.956 1.372 9.082 1.00 0.60 H new ATOM 0 HB1 ALA A 108 -5.378 3.189 7.458 1.00 0.66 H new ATOM 0 HB2 ALA A 108 -4.947 1.663 6.650 1.00 0.66 H new ATOM 0 HB3 ALA A 108 -6.643 2.199 6.692 1.00 0.66 H new ATOM 1749 N PRO A 117 -6.386 8.188 5.662 1.00 0.62 N ATOM 1750 CA PRO A 117 -5.820 8.481 4.341 1.00 0.60 C ATOM 1751 C PRO A 117 -6.538 7.705 3.242 1.00 0.53 C ATOM 1752 O PRO A 117 -6.735 8.208 2.136 1.00 0.59 O ATOM 1753 CB PRO A 117 -4.365 8.017 4.460 1.00 0.57 C ATOM 1754 CG PRO A 117 -4.067 8.044 5.920 1.00 0.70 C ATOM 1755 CD PRO A 117 -5.360 7.732 6.619 1.00 0.59 C ATOM 0 HA PRO A 117 -5.917 9.533 4.073 1.00 0.60 H new ATOM 0 HB2 PRO A 117 -4.236 7.015 4.050 1.00 0.57 H new ATOM 0 HB3 PRO A 117 -3.695 8.676 3.909 1.00 0.57 H new ATOM 0 HG2 PRO A 117 -3.301 7.312 6.174 1.00 0.70 H new ATOM 0 HG3 PRO A 117 -3.687 9.020 6.222 1.00 0.70 H new ATOM 0 HD2 PRO A 117 -5.455 6.667 6.832 1.00 0.59 H new ATOM 0 HD3 PRO A 117 -5.438 8.256 7.572 1.00 0.59 H new ATOM 1763 N ILE A 118 -6.927 6.476 3.563 1.00 0.44 N ATOM 1764 CA ILE A 118 -7.647 5.623 2.628 1.00 0.40 C ATOM 1765 C ILE A 118 -9.154 5.788 2.816 1.00 0.43 C ATOM 1766 O ILE A 118 -9.640 5.824 3.946 1.00 0.50 O ATOM 1767 CB ILE A 118 -7.253 4.137 2.796 1.00 0.33 C ATOM 1768 CG1 ILE A 118 -5.793 3.926 2.393 1.00 0.28 C ATOM 1769 CG2 ILE A 118 -8.163 3.240 1.975 1.00 0.35 C ATOM 1770 CD1 ILE A 118 -4.809 4.309 3.473 1.00 1.25 C ATOM 0 H ILE A 118 -6.753 6.047 4.472 1.00 0.44 H new ATOM 0 HA ILE A 118 -7.373 5.931 1.619 1.00 0.40 H new ATOM 0 HB ILE A 118 -7.369 3.870 3.846 1.00 0.33 H new ATOM 0 HG12 ILE A 118 -5.644 2.878 2.132 1.00 0.28 H new ATOM 0 HG13 ILE A 118 -5.583 4.511 1.497 1.00 0.28 H new ATOM 0 HG21 ILE A 118 -7.866 2.200 2.109 1.00 0.35 H new ATOM 0 HG22 ILE A 118 -9.194 3.369 2.304 1.00 0.35 H new ATOM 0 HG23 ILE A 118 -8.083 3.507 0.921 1.00 0.35 H new ATOM 0 HD11 ILE A 118 -3.793 4.133 3.119 1.00 1.25 H new ATOM 0 HD12 ILE A 118 -4.930 5.364 3.718 1.00 1.25 H new ATOM 0 HD13 ILE A 118 -4.992 3.706 4.363 1.00 1.25 H new ATOM 1782 N GLY A 119 -9.885 5.903 1.705 1.00 0.43 N ATOM 1783 CA GLY A 119 -11.332 6.066 1.774 1.00 0.48 C ATOM 1784 C GLY A 119 -11.972 5.151 2.807 1.00 0.45 C ATOM 1785 O GLY A 119 -11.468 4.058 3.051 1.00 0.40 O ATOM 0 H GLY A 119 -9.502 5.886 0.760 1.00 0.43 H new ATOM 0 HA2 GLY A 119 -11.567 7.103 2.016 1.00 0.48 H new ATOM 0 HA3 GLY A 119 -11.765 5.862 0.795 1.00 0.48 H new ATOM 1789 N PRO A 120 -13.093 5.566 3.428 1.00 0.52 N ATOM 1790 CA PRO A 120 -13.768 4.757 4.449 1.00 0.56 C ATOM 1791 C PRO A 120 -14.129 3.366 3.939 1.00 0.51 C ATOM 1792 O PRO A 120 -14.711 3.227 2.862 1.00 0.48 O ATOM 1793 CB PRO A 120 -15.043 5.545 4.762 1.00 0.64 C ATOM 1794 CG PRO A 120 -14.770 6.939 4.311 1.00 0.67 C ATOM 1795 CD PRO A 120 -13.794 6.837 3.172 1.00 0.59 C ATOM 0 HA PRO A 120 -13.128 4.595 5.316 1.00 0.56 H new ATOM 0 HB2 PRO A 120 -15.902 5.125 4.240 1.00 0.64 H new ATOM 0 HB3 PRO A 120 -15.272 5.515 5.827 1.00 0.64 H new ATOM 0 HG2 PRO A 120 -15.689 7.430 3.991 1.00 0.67 H new ATOM 0 HG3 PRO A 120 -14.356 7.536 5.124 1.00 0.67 H new ATOM 0 HD2 PRO A 120 -14.303 6.827 2.208 1.00 0.59 H new ATOM 0 HD3 PRO A 120 -13.103 7.680 3.159 1.00 0.59 H new ATOM 1803 N ASN A 121 -13.790 2.343 4.723 1.00 0.55 N ATOM 1804 CA ASN A 121 -14.080 0.957 4.355 1.00 0.58 C ATOM 1805 C ASN A 121 -13.770 0.710 2.884 1.00 0.49 C ATOM 1806 O ASN A 121 -14.481 -0.027 2.205 1.00 0.53 O ATOM 1807 CB ASN A 121 -15.552 0.648 4.630 1.00 0.68 C ATOM 1808 CG ASN A 121 -15.995 1.153 5.987 1.00 0.79 C ATOM 1809 OD1 ASN A 121 -16.482 2.386 6.022 1.00 1.12 O flip ATOM 1810 ND2 ASN A 121 -15.904 0.444 6.989 1.00 0.67 N flip ATOM 0 H ASN A 121 -13.313 2.448 5.619 1.00 0.55 H new ATOM 0 HA ASN A 121 -13.449 0.301 4.956 1.00 0.58 H new ATOM 0 HB2 ASN A 121 -16.169 1.103 3.855 1.00 0.68 H new ATOM 0 HB3 ASN A 121 -15.713 -0.429 4.574 1.00 0.68 H new ATOM 0 HD21 ASN A 121 -15.523 -0.499 6.914 1.00 0.67 H new ATOM 0 HD22 ASN A 121 -16.210 0.799 7.895 1.00 0.67 H new ATOM 1817 N GLU A 122 -12.698 1.324 2.405 1.00 0.40 N ATOM 1818 CA GLU A 122 -12.303 1.189 1.011 1.00 0.35 C ATOM 1819 C GLU A 122 -10.978 0.460 0.864 1.00 0.31 C ATOM 1820 O GLU A 122 -10.072 0.621 1.679 1.00 0.33 O ATOM 1821 CB GLU A 122 -12.181 2.568 0.382 1.00 0.35 C ATOM 1822 CG GLU A 122 -12.144 2.546 -1.136 1.00 1.09 C ATOM 1823 CD GLU A 122 -12.151 3.938 -1.735 1.00 1.24 C ATOM 1824 OE1 GLU A 122 -11.135 4.649 -1.596 1.00 1.60 O ATOM 1825 OE2 GLU A 122 -13.171 4.312 -2.347 1.00 1.73 O ATOM 0 H GLU A 122 -12.086 1.921 2.962 1.00 0.40 H new ATOM 0 HA GLU A 122 -13.071 0.603 0.506 1.00 0.35 H new ATOM 0 HB2 GLU A 122 -13.021 3.181 0.707 1.00 0.35 H new ATOM 0 HB3 GLU A 122 -11.275 3.047 0.752 1.00 0.35 H new ATOM 0 HG2 GLU A 122 -11.251 2.016 -1.467 1.00 1.09 H new ATOM 0 HG3 GLU A 122 -13.003 1.989 -1.509 1.00 1.09 H new ATOM 1832 N THR A 123 -10.867 -0.336 -0.192 1.00 0.26 N ATOM 1833 CA THR A 123 -9.646 -1.070 -0.461 1.00 0.24 C ATOM 1834 C THR A 123 -8.807 -0.301 -1.471 1.00 0.22 C ATOM 1835 O THR A 123 -9.302 0.100 -2.523 1.00 0.24 O ATOM 1836 CB THR A 123 -9.935 -2.492 -0.977 1.00 0.25 C ATOM 1837 OG1 THR A 123 -10.618 -3.246 0.031 1.00 0.29 O ATOM 1838 CG2 THR A 123 -8.646 -3.204 -1.357 1.00 0.24 C ATOM 0 H THR A 123 -11.610 -0.487 -0.874 1.00 0.26 H new ATOM 0 HA THR A 123 -9.096 -1.172 0.474 1.00 0.24 H new ATOM 0 HB THR A 123 -10.563 -2.412 -1.864 1.00 0.25 H new ATOM 0 HG1 THR A 123 -10.747 -2.688 0.826 1.00 0.29 H new ATOM 0 HG21 THR A 123 -8.877 -4.206 -1.718 1.00 0.24 H new ATOM 0 HG22 THR A 123 -8.138 -2.643 -2.142 1.00 0.24 H new ATOM 0 HG23 THR A 123 -7.998 -3.274 -0.484 1.00 0.24 H new ATOM 1846 N LEU A 124 -7.538 -0.093 -1.153 1.00 0.20 N ATOM 1847 CA LEU A 124 -6.653 0.658 -2.031 1.00 0.19 C ATOM 1848 C LEU A 124 -5.524 -0.209 -2.574 1.00 0.17 C ATOM 1849 O LEU A 124 -5.111 -1.183 -1.945 1.00 0.18 O ATOM 1850 CB LEU A 124 -6.072 1.852 -1.269 1.00 0.23 C ATOM 1851 CG LEU A 124 -6.767 3.197 -1.520 1.00 0.47 C ATOM 1852 CD1 LEU A 124 -6.288 3.795 -2.826 1.00 1.15 C ATOM 1853 CD2 LEU A 124 -8.282 3.037 -1.530 1.00 1.47 C ATOM 0 H LEU A 124 -7.099 -0.432 -0.297 1.00 0.20 H new ATOM 0 HA LEU A 124 -7.238 1.007 -2.882 1.00 0.19 H new ATOM 0 HB2 LEU A 124 -6.114 1.635 -0.202 1.00 0.23 H new ATOM 0 HB3 LEU A 124 -5.019 1.952 -1.533 1.00 0.23 H new ATOM 0 HG LEU A 124 -6.507 3.874 -0.706 1.00 0.47 H new ATOM 0 HD11 LEU A 124 -6.788 4.749 -2.994 1.00 1.15 H new ATOM 0 HD12 LEU A 124 -5.210 3.953 -2.780 1.00 1.15 H new ATOM 0 HD13 LEU A 124 -6.521 3.114 -3.645 1.00 1.15 H new ATOM 0 HD21 LEU A 124 -8.749 4.005 -1.710 1.00 1.47 H new ATOM 0 HD22 LEU A 124 -8.569 2.343 -2.320 1.00 1.47 H new ATOM 0 HD23 LEU A 124 -8.613 2.648 -0.567 1.00 1.47 H new ATOM 1865 N ILE A 125 -5.034 0.160 -3.752 1.00 0.15 N ATOM 1866 CA ILE A 125 -3.939 -0.551 -4.393 1.00 0.14 C ATOM 1867 C ILE A 125 -2.715 0.345 -4.476 1.00 0.13 C ATOM 1868 O ILE A 125 -2.820 1.524 -4.818 1.00 0.16 O ATOM 1869 CB ILE A 125 -4.309 -1.009 -5.816 1.00 0.14 C ATOM 1870 CG1 ILE A 125 -5.589 -1.838 -5.791 1.00 0.17 C ATOM 1871 CG2 ILE A 125 -3.170 -1.806 -6.433 1.00 0.17 C ATOM 1872 CD1 ILE A 125 -6.854 -1.009 -5.861 1.00 0.20 C ATOM 0 H ILE A 125 -5.384 0.956 -4.285 1.00 0.15 H new ATOM 0 HA ILE A 125 -3.728 -1.432 -3.787 1.00 0.14 H new ATOM 0 HB ILE A 125 -4.481 -0.125 -6.430 1.00 0.14 H new ATOM 0 HG12 ILE A 125 -5.576 -2.535 -6.629 1.00 0.17 H new ATOM 0 HG13 ILE A 125 -5.607 -2.435 -4.879 1.00 0.17 H new ATOM 0 HG21 ILE A 125 -3.449 -2.121 -7.438 1.00 0.17 H new ATOM 0 HG22 ILE A 125 -2.276 -1.184 -6.483 1.00 0.17 H new ATOM 0 HG23 ILE A 125 -2.967 -2.684 -5.820 1.00 0.17 H new ATOM 0 HD11 ILE A 125 -7.722 -1.668 -5.839 1.00 0.20 H new ATOM 0 HD12 ILE A 125 -6.892 -0.330 -5.009 1.00 0.20 H new ATOM 0 HD13 ILE A 125 -6.860 -0.432 -6.786 1.00 0.20 H new ATOM 1884 N PHE A 126 -1.556 -0.215 -4.163 1.00 0.13 N ATOM 1885 CA PHE A 126 -0.319 0.547 -4.195 1.00 0.14 C ATOM 1886 C PHE A 126 0.787 -0.219 -4.908 1.00 0.14 C ATOM 1887 O PHE A 126 1.021 -1.396 -4.631 1.00 0.16 O ATOM 1888 CB PHE A 126 0.138 0.872 -2.772 1.00 0.16 C ATOM 1889 CG PHE A 126 -0.925 1.476 -1.901 1.00 0.16 C ATOM 1890 CD1 PHE A 126 -1.250 2.817 -2.009 1.00 0.19 C ATOM 1891 CD2 PHE A 126 -1.585 0.703 -0.958 1.00 0.18 C ATOM 1892 CE1 PHE A 126 -2.216 3.376 -1.192 1.00 0.23 C ATOM 1893 CE2 PHE A 126 -2.549 1.257 -0.138 1.00 0.22 C ATOM 1894 CZ PHE A 126 -2.865 2.596 -0.255 1.00 0.24 C ATOM 0 H PHE A 126 -1.447 -1.190 -3.885 1.00 0.13 H new ATOM 0 HA PHE A 126 -0.516 1.469 -4.743 1.00 0.14 H new ATOM 0 HB2 PHE A 126 0.499 -0.043 -2.302 1.00 0.16 H new ATOM 0 HB3 PHE A 126 0.983 1.559 -2.823 1.00 0.16 H new ATOM 0 HD1 PHE A 126 -0.745 3.433 -2.738 1.00 0.19 H new ATOM 0 HD2 PHE A 126 -1.343 -0.345 -0.863 1.00 0.18 H new ATOM 0 HE1 PHE A 126 -2.463 4.423 -1.287 1.00 0.23 H new ATOM 0 HE2 PHE A 126 -3.055 0.644 0.593 1.00 0.22 H new ATOM 0 HZ PHE A 126 -3.618 3.032 0.385 1.00 0.24 H new ATOM 1904 N LYS A 127 1.463 0.458 -5.827 1.00 0.14 N ATOM 1905 CA LYS A 127 2.575 -0.140 -6.550 1.00 0.15 C ATOM 1906 C LYS A 127 3.857 0.503 -6.048 1.00 0.16 C ATOM 1907 O LYS A 127 4.197 1.615 -6.445 1.00 0.19 O ATOM 1908 CB LYS A 127 2.417 0.080 -8.059 1.00 0.18 C ATOM 1909 CG LYS A 127 3.233 -0.877 -8.919 1.00 0.89 C ATOM 1910 CD LYS A 127 4.726 -0.608 -8.808 1.00 1.23 C ATOM 1911 CE LYS A 127 5.517 -1.431 -9.812 1.00 1.62 C ATOM 1912 NZ LYS A 127 5.171 -1.078 -11.217 1.00 2.28 N ATOM 0 H LYS A 127 1.260 1.423 -6.089 1.00 0.14 H new ATOM 0 HA LYS A 127 2.601 -1.216 -6.377 1.00 0.15 H new ATOM 0 HB2 LYS A 127 1.364 -0.022 -8.321 1.00 0.18 H new ATOM 0 HB3 LYS A 127 2.708 1.103 -8.298 1.00 0.18 H new ATOM 0 HG2 LYS A 127 3.026 -1.903 -8.616 1.00 0.89 H new ATOM 0 HG3 LYS A 127 2.924 -0.783 -9.960 1.00 0.89 H new ATOM 0 HD2 LYS A 127 4.919 0.452 -8.973 1.00 1.23 H new ATOM 0 HD3 LYS A 127 5.065 -0.841 -7.798 1.00 1.23 H new ATOM 0 HE2 LYS A 127 6.583 -1.273 -9.650 1.00 1.62 H new ATOM 0 HE3 LYS A 127 5.323 -2.491 -9.646 1.00 1.62 H new ATOM 0 HZ1 LYS A 127 5.927 -1.404 -11.853 1.00 2.28 H new ATOM 0 HZ2 LYS A 127 4.276 -1.537 -11.480 1.00 2.28 H new ATOM 0 HZ3 LYS A 127 5.069 -0.046 -11.301 1.00 2.28 H new ATOM 1926 N ILE A 128 4.582 -0.210 -5.196 1.00 0.16 N ATOM 1927 CA ILE A 128 5.799 0.328 -4.615 1.00 0.19 C ATOM 1928 C ILE A 128 7.041 -0.235 -5.270 1.00 0.18 C ATOM 1929 O ILE A 128 7.214 -1.448 -5.372 1.00 0.22 O ATOM 1930 CB ILE A 128 5.865 0.044 -3.104 1.00 0.23 C ATOM 1931 CG1 ILE A 128 4.536 0.410 -2.437 1.00 0.31 C ATOM 1932 CG2 ILE A 128 7.020 0.814 -2.476 1.00 0.27 C ATOM 1933 CD1 ILE A 128 4.523 0.191 -0.940 1.00 0.82 C ATOM 0 H ILE A 128 4.348 -1.156 -4.895 1.00 0.16 H new ATOM 0 HA ILE A 128 5.769 1.404 -4.788 1.00 0.19 H new ATOM 0 HB ILE A 128 6.040 -1.021 -2.950 1.00 0.23 H new ATOM 0 HG12 ILE A 128 4.313 1.457 -2.644 1.00 0.31 H new ATOM 0 HG13 ILE A 128 3.739 -0.181 -2.888 1.00 0.31 H new ATOM 0 HG21 ILE A 128 7.057 0.606 -1.407 1.00 0.27 H new ATOM 0 HG22 ILE A 128 7.957 0.505 -2.939 1.00 0.27 H new ATOM 0 HG23 ILE A 128 6.873 1.883 -2.633 1.00 0.27 H new ATOM 0 HD11 ILE A 128 3.549 0.472 -0.540 1.00 0.82 H new ATOM 0 HD12 ILE A 128 4.714 -0.860 -0.724 1.00 0.82 H new ATOM 0 HD13 ILE A 128 5.297 0.803 -0.476 1.00 0.82 H new ATOM 1945 N HIS A 129 7.897 0.664 -5.719 1.00 0.15 N ATOM 1946 CA HIS A 129 9.147 0.277 -6.336 1.00 0.15 C ATOM 1947 C HIS A 129 10.303 0.829 -5.518 1.00 0.15 C ATOM 1948 O HIS A 129 10.680 1.992 -5.665 1.00 0.15 O ATOM 1949 CB HIS A 129 9.212 0.800 -7.769 1.00 0.15 C ATOM 1950 CG HIS A 129 9.915 -0.136 -8.705 1.00 0.17 C ATOM 1951 ND1 HIS A 129 9.527 -0.329 -10.013 1.00 0.22 N ATOM 1952 CD2 HIS A 129 10.969 -0.961 -8.503 1.00 0.20 C ATOM 1953 CE1 HIS A 129 10.308 -1.236 -10.572 1.00 0.26 C ATOM 1954 NE2 HIS A 129 11.194 -1.639 -9.677 1.00 0.26 N ATOM 0 H HIS A 129 7.746 1.671 -5.666 1.00 0.15 H new ATOM 0 HA HIS A 129 9.215 -0.810 -6.365 1.00 0.15 H new ATOM 0 HB2 HIS A 129 8.199 0.975 -8.132 1.00 0.15 H new ATOM 0 HB3 HIS A 129 9.723 1.763 -7.775 1.00 0.15 H new ATOM 0 HD2 HIS A 129 11.531 -1.067 -7.587 1.00 0.20 H new ATOM 0 HE1 HIS A 129 10.235 -1.589 -11.590 1.00 0.26 H new ATOM 0 HE2 HIS A 129 11.922 -2.336 -9.832 1.00 0.26 H new ATOM 1963 N LEU A 130 10.874 -0.014 -4.669 1.00 0.16 N ATOM 1964 CA LEU A 130 11.972 0.404 -3.811 1.00 0.17 C ATOM 1965 C LEU A 130 13.288 0.407 -4.569 1.00 0.17 C ATOM 1966 O LEU A 130 13.784 -0.641 -4.983 1.00 0.25 O ATOM 1967 CB LEU A 130 12.062 -0.505 -2.579 1.00 0.22 C ATOM 1968 CG LEU A 130 13.180 -0.171 -1.587 1.00 0.46 C ATOM 1969 CD1 LEU A 130 13.195 1.316 -1.261 1.00 1.36 C ATOM 1970 CD2 LEU A 130 13.011 -0.988 -0.316 1.00 1.41 C ATOM 0 H LEU A 130 10.596 -0.989 -4.557 1.00 0.16 H new ATOM 0 HA LEU A 130 11.774 1.423 -3.479 1.00 0.17 H new ATOM 0 HB2 LEU A 130 11.109 -0.466 -2.051 1.00 0.22 H new ATOM 0 HB3 LEU A 130 12.197 -1.532 -2.917 1.00 0.22 H new ATOM 0 HG LEU A 130 14.134 -0.425 -2.049 1.00 0.46 H new ATOM 0 HD11 LEU A 130 13.998 1.526 -0.555 1.00 1.36 H new ATOM 0 HD12 LEU A 130 13.357 1.887 -2.175 1.00 1.36 H new ATOM 0 HD13 LEU A 130 12.240 1.601 -0.820 1.00 1.36 H new ATOM 0 HD21 LEU A 130 13.811 -0.743 0.383 1.00 1.41 H new ATOM 0 HD22 LEU A 130 12.048 -0.757 0.139 1.00 1.41 H new ATOM 0 HD23 LEU A 130 13.053 -2.050 -0.558 1.00 1.41 H new ATOM 1982 N ILE A 131 13.846 1.598 -4.753 1.00 0.13 N ATOM 1983 CA ILE A 131 15.108 1.749 -5.460 1.00 0.15 C ATOM 1984 C ILE A 131 16.281 1.470 -4.535 1.00 0.17 C ATOM 1985 O ILE A 131 17.168 0.681 -4.862 1.00 0.22 O ATOM 1986 CB ILE A 131 15.251 3.166 -6.053 1.00 0.18 C ATOM 1987 CG1 ILE A 131 13.997 3.540 -6.852 1.00 0.16 C ATOM 1988 CG2 ILE A 131 16.493 3.254 -6.929 1.00 0.26 C ATOM 1989 CD1 ILE A 131 13.707 2.602 -8.007 1.00 1.17 C ATOM 0 H ILE A 131 13.442 2.474 -4.421 1.00 0.13 H new ATOM 0 HA ILE A 131 15.112 1.025 -6.275 1.00 0.15 H new ATOM 0 HB ILE A 131 15.360 3.876 -5.233 1.00 0.18 H new ATOM 0 HG12 ILE A 131 13.139 3.551 -6.180 1.00 0.16 H new ATOM 0 HG13 ILE A 131 14.112 4.553 -7.238 1.00 0.16 H new ATOM 0 HG21 ILE A 131 16.578 4.260 -7.339 1.00 0.26 H new ATOM 0 HG22 ILE A 131 17.376 3.030 -6.331 1.00 0.26 H new ATOM 0 HG23 ILE A 131 16.415 2.535 -7.745 1.00 0.26 H new ATOM 0 HD11 ILE A 131 12.806 2.930 -8.525 1.00 1.17 H new ATOM 0 HD12 ILE A 131 14.547 2.609 -8.701 1.00 1.17 H new ATOM 0 HD13 ILE A 131 13.559 1.591 -7.627 1.00 1.17 H new ATOM 2001 N SER A 132 16.274 2.112 -3.371 1.00 0.17 N ATOM 2002 CA SER A 132 17.340 1.938 -2.397 1.00 0.20 C ATOM 2003 C SER A 132 16.896 2.443 -1.029 1.00 0.22 C ATOM 2004 O SER A 132 15.899 3.155 -0.912 1.00 0.23 O ATOM 2005 CB SER A 132 18.605 2.677 -2.835 1.00 0.23 C ATOM 2006 OG SER A 132 18.895 2.445 -4.202 1.00 1.17 O ATOM 0 H SER A 132 15.540 2.758 -3.081 1.00 0.17 H new ATOM 0 HA SER A 132 17.564 0.873 -2.330 1.00 0.20 H new ATOM 0 HB2 SER A 132 18.480 3.746 -2.665 1.00 0.23 H new ATOM 0 HB3 SER A 132 19.447 2.353 -2.223 1.00 0.23 H new ATOM 0 HG SER A 132 18.579 1.553 -4.457 1.00 1.17 H new ATOM 2012 N VAL A 133 17.644 2.071 -0.002 1.00 0.25 N ATOM 2013 CA VAL A 133 17.338 2.484 1.361 1.00 0.29 C ATOM 2014 C VAL A 133 18.569 3.079 2.029 1.00 0.41 C ATOM 2015 O VAL A 133 19.666 2.531 1.920 1.00 0.57 O ATOM 2016 CB VAL A 133 16.829 1.300 2.197 1.00 0.45 C ATOM 2017 CG1 VAL A 133 16.618 1.715 3.648 1.00 1.16 C ATOM 2018 CG2 VAL A 133 15.547 0.741 1.602 1.00 1.43 C ATOM 0 H VAL A 133 18.472 1.481 -0.086 1.00 0.25 H new ATOM 0 HA VAL A 133 16.554 3.240 1.307 1.00 0.29 H new ATOM 0 HB VAL A 133 17.585 0.515 2.178 1.00 0.45 H new ATOM 0 HG11 VAL A 133 16.257 0.861 4.222 1.00 1.16 H new ATOM 0 HG12 VAL A 133 17.562 2.062 4.068 1.00 1.16 H new ATOM 0 HG13 VAL A 133 15.883 2.519 3.693 1.00 1.16 H new ATOM 0 HG21 VAL A 133 15.200 -0.097 2.207 1.00 1.43 H new ATOM 0 HG22 VAL A 133 14.783 1.519 1.588 1.00 1.43 H new ATOM 0 HG23 VAL A 133 15.737 0.400 0.584 1.00 1.43 H new ATOM 2028 N LYS A 134 18.370 4.199 2.723 1.00 0.41 N ATOM 2029 CA LYS A 134 19.453 4.893 3.418 1.00 0.58 C ATOM 2030 C LYS A 134 20.730 4.910 2.578 1.00 0.68 C ATOM 2031 O LYS A 134 21.813 4.571 3.056 1.00 1.28 O ATOM 2032 CB LYS A 134 19.704 4.260 4.794 1.00 0.69 C ATOM 2033 CG LYS A 134 20.186 2.820 4.752 1.00 1.69 C ATOM 2034 CD LYS A 134 20.572 2.332 6.138 1.00 1.90 C ATOM 2035 CE LYS A 134 21.907 2.911 6.585 1.00 2.62 C ATOM 2036 NZ LYS A 134 22.290 2.442 7.945 1.00 3.08 N ATOM 0 H LYS A 134 17.459 4.648 2.819 1.00 0.41 H new ATOM 0 HA LYS A 134 19.148 5.928 3.570 1.00 0.58 H new ATOM 0 HB2 LYS A 134 20.442 4.860 5.326 1.00 0.69 H new ATOM 0 HB3 LYS A 134 18.781 4.303 5.372 1.00 0.69 H new ATOM 0 HG2 LYS A 134 19.402 2.182 4.344 1.00 1.69 H new ATOM 0 HG3 LYS A 134 21.043 2.739 4.083 1.00 1.69 H new ATOM 0 HD2 LYS A 134 19.797 2.611 6.851 1.00 1.90 H new ATOM 0 HD3 LYS A 134 20.629 1.243 6.138 1.00 1.90 H new ATOM 0 HE2 LYS A 134 22.682 2.628 5.872 1.00 2.62 H new ATOM 0 HE3 LYS A 134 21.850 4.000 6.579 1.00 2.62 H new ATOM 0 HZ1 LYS A 134 23.205 2.859 8.211 1.00 3.08 H new ATOM 0 HZ2 LYS A 134 21.564 2.734 8.630 1.00 3.08 H new ATOM 0 HZ3 LYS A 134 22.369 1.405 7.945 1.00 3.08 H new ATOM 2050 N LYS A 135 20.579 5.317 1.320 1.00 0.95 N ATOM 2051 CA LYS A 135 21.696 5.395 0.385 1.00 1.05 C ATOM 2052 C LYS A 135 22.293 4.020 0.112 1.00 0.97 C ATOM 2053 O LYS A 135 23.511 3.864 0.033 1.00 0.99 O ATOM 2054 CB LYS A 135 22.773 6.350 0.906 1.00 1.19 C ATOM 2055 CG LYS A 135 22.427 7.821 0.726 1.00 1.67 C ATOM 2056 CD LYS A 135 22.330 8.202 -0.746 1.00 2.16 C ATOM 2057 CE LYS A 135 23.664 8.036 -1.461 1.00 2.86 C ATOM 2058 NZ LYS A 135 23.576 8.416 -2.897 1.00 3.16 N ATOM 0 H LYS A 135 19.683 5.600 0.923 1.00 0.95 H new ATOM 0 HA LYS A 135 21.309 5.785 -0.557 1.00 1.05 H new ATOM 0 HB2 LYS A 135 22.940 6.152 1.965 1.00 1.19 H new ATOM 0 HB3 LYS A 135 23.711 6.141 0.391 1.00 1.19 H new ATOM 0 HG2 LYS A 135 21.479 8.035 1.220 1.00 1.67 H new ATOM 0 HG3 LYS A 135 23.185 8.435 1.211 1.00 1.67 H new ATOM 0 HD2 LYS A 135 21.577 7.583 -1.233 1.00 2.16 H new ATOM 0 HD3 LYS A 135 21.997 9.236 -0.833 1.00 2.16 H new ATOM 0 HE2 LYS A 135 24.418 8.650 -0.969 1.00 2.86 H new ATOM 0 HE3 LYS A 135 23.993 7.000 -1.379 1.00 2.86 H new ATOM 0 HZ1 LYS A 135 24.505 8.289 -3.347 1.00 3.16 H new ATOM 0 HZ2 LYS A 135 22.875 7.813 -3.373 1.00 3.16 H new ATOM 0 HZ3 LYS A 135 23.287 9.412 -2.975 1.00 3.16 H new ATOM 2072 N SER A 136 21.418 3.031 -0.038 1.00 0.99 N ATOM 2073 CA SER A 136 21.840 1.660 -0.313 1.00 0.96 C ATOM 2074 C SER A 136 22.953 1.217 0.634 1.00 1.03 C ATOM 2075 O SER A 136 23.825 0.431 0.258 1.00 1.31 O ATOM 2076 CB SER A 136 22.303 1.533 -1.767 1.00 0.95 C ATOM 2077 OG SER A 136 22.646 0.194 -2.081 1.00 1.19 O ATOM 0 H SER A 136 20.407 3.153 0.026 1.00 0.99 H new ATOM 0 HA SER A 136 20.983 1.007 -0.150 1.00 0.96 H new ATOM 0 HB2 SER A 136 21.512 1.874 -2.434 1.00 0.95 H new ATOM 0 HB3 SER A 136 23.164 2.181 -1.935 1.00 0.95 H new ATOM 0 HG SER A 136 23.173 -0.189 -1.349 1.00 1.19 H new ATOM 2083 N SER A 137 22.921 1.724 1.861 1.00 0.91 N ATOM 2084 CA SER A 137 23.927 1.376 2.857 1.00 1.03 C ATOM 2085 C SER A 137 23.467 0.195 3.705 1.00 1.82 C ATOM 2086 O SER A 137 23.816 -0.952 3.358 1.00 2.51 O ATOM 2087 CB SER A 137 24.227 2.579 3.753 1.00 1.57 C ATOM 2088 OG SER A 137 24.763 3.653 3.001 1.00 2.37 O ATOM 2089 OXT SER A 137 22.757 0.426 4.707 1.00 2.53 O ATOM 0 H SER A 137 22.210 2.377 2.190 1.00 0.91 H new ATOM 0 HA SER A 137 24.838 1.089 2.332 1.00 1.03 H new ATOM 0 HB2 SER A 137 23.313 2.901 4.253 1.00 1.57 H new ATOM 0 HB3 SER A 137 24.932 2.289 4.532 1.00 1.57 H new ATOM 0 HG SER A 137 24.049 4.289 2.784 1.00 2.37 H new