USER MOD reduce.3.24.130724 H: found=0, std=0, add=927, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 926 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 46 HIS : no HE2:sc= -0.84 X(o=0.29,f=0.056) USER MOD Set 1.2: A 48 THR OG1 : rot 83:sc= 1.2 USER MOD Set 1.3: A 83 HIS : no HE2:sc= -0.0669 K(o=0.29,f=-2.3!) USER MOD Single : A 11 SER OG : rot 2:sc= 1.18 USER MOD Single : A 15 ASN : amide:sc= -0.141 K(o=-0.14,f=-2!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 77:sc= 1.23 USER MOD Single : A 24 ASN : amide:sc= -0.104 K(o=-0.1,f=-4.6!) USER MOD Single : A 37 THR OG1 : rot 73:sc= 0.214 USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -146:sc= 0.51 (180deg=-1.8!) USER MOD Single : A 57 LYS NZ :NH3+ -173:sc= 1.14 (180deg=1.01) USER MOD Single : A 59 MET CE :methyl -171:sc= 0 (180deg=-0.166) USER MOD Single : A 61 MET CE :methyl -173:sc= 0 (180deg=-0.108) USER MOD Single : A 72 LYS NZ :NH3+ 132:sc= 0.575 (180deg=0.143!) USER MOD Single : A 78 LYS NZ :NH3+ -147:sc= 0.0327 (180deg=-1.31!) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl 174:sc= -0.86 (180deg=-1.06) USER MOD Single : A 90 LYS NZ :NH3+ -168:sc= 0.318 (180deg=-0.634!) USER MOD Single : A 94 LYS NZ :NH3+ -142:sc= 1.62 (180deg=0.178) USER MOD Single : A 109 LYS NZ :NH3+ -174:sc= 0.934 (180deg=0.909) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 1.04 (180deg=1.04) USER MOD ----------------------------------------------------------------- ATOM 55 N GLU A 5 9.592 2.587 6.337 1.00 1.43 N ATOM 56 CA GLU A 5 9.205 1.225 6.727 1.00 1.12 C ATOM 57 C GLU A 5 7.793 0.836 6.262 1.00 1.22 C ATOM 58 O GLU A 5 7.019 1.679 5.800 1.00 1.81 O ATOM 59 CB GLU A 5 9.276 1.108 8.256 1.00 2.02 C ATOM 60 CG GLU A 5 10.673 1.413 8.803 1.00 2.96 C ATOM 61 CD GLU A 5 10.748 1.131 10.296 1.00 4.24 C ATOM 62 OE1 GLU A 5 10.245 1.986 11.052 1.00 4.87 O ATOM 63 OE2 GLU A 5 11.304 0.074 10.658 1.00 5.29 O ATOM 0 HA GLU A 5 9.900 0.542 6.239 1.00 1.12 H new ATOM 0 HB2 GLU A 5 8.556 1.794 8.703 1.00 2.02 H new ATOM 0 HB3 GLU A 5 8.984 0.101 8.554 1.00 2.02 H new ATOM 0 HG2 GLU A 5 11.413 0.809 8.278 1.00 2.96 H new ATOM 0 HG3 GLU A 5 10.921 2.457 8.614 1.00 2.96 H new ATOM 70 N GLY A 6 7.419 -0.445 6.384 1.00 1.11 N ATOM 71 CA GLY A 6 6.053 -0.907 6.125 1.00 1.18 C ATOM 72 C GLY A 6 5.672 -2.201 6.830 1.00 1.07 C ATOM 73 O GLY A 6 6.526 -2.868 7.406 1.00 1.19 O ATOM 0 H GLY A 6 8.057 -1.189 6.665 1.00 1.11 H new ATOM 0 HA2 GLY A 6 5.357 -0.126 6.429 1.00 1.18 H new ATOM 0 HA3 GLY A 6 5.929 -1.045 5.051 1.00 1.18 H new ATOM 77 N TRP A 7 4.389 -2.563 6.741 1.00 1.07 N ATOM 78 CA TRP A 7 3.827 -3.795 7.271 1.00 1.02 C ATOM 79 C TRP A 7 2.512 -4.217 6.577 1.00 0.89 C ATOM 80 O TRP A 7 1.811 -3.398 5.976 1.00 0.80 O ATOM 81 CB TRP A 7 3.636 -3.652 8.782 1.00 1.17 C ATOM 82 CG TRP A 7 2.454 -2.842 9.216 1.00 1.18 C ATOM 83 CD1 TRP A 7 1.322 -3.364 9.733 1.00 1.41 C ATOM 84 CD2 TRP A 7 2.261 -1.393 9.197 1.00 1.38 C ATOM 85 NE1 TRP A 7 0.451 -2.350 10.060 1.00 1.54 N ATOM 86 CE2 TRP A 7 0.970 -1.112 9.742 1.00 1.56 C ATOM 87 CE3 TRP A 7 3.045 -0.284 8.806 1.00 1.76 C ATOM 88 CZ2 TRP A 7 0.485 0.197 9.892 1.00 1.95 C ATOM 89 CZ3 TRP A 7 2.563 1.033 8.938 1.00 2.24 C ATOM 90 CH2 TRP A 7 1.291 1.274 9.481 1.00 2.30 C ATOM 0 H TRP A 7 3.692 -1.979 6.279 1.00 1.07 H new ATOM 0 HA TRP A 7 4.535 -4.597 7.062 1.00 1.02 H new ATOM 0 HB2 TRP A 7 3.548 -4.649 9.214 1.00 1.17 H new ATOM 0 HB3 TRP A 7 4.535 -3.201 9.202 1.00 1.17 H new ATOM 0 HD1 TRP A 7 1.129 -4.418 9.869 1.00 1.41 H new ATOM 0 HE1 TRP A 7 -0.465 -2.496 10.485 1.00 1.54 H new ATOM 0 HE3 TRP A 7 4.031 -0.449 8.399 1.00 1.76 H new ATOM 0 HZ2 TRP A 7 -0.492 0.374 10.317 1.00 1.95 H new ATOM 0 HZ3 TRP A 7 3.176 1.863 8.619 1.00 2.24 H new ATOM 0 HH2 TRP A 7 0.931 2.287 9.583 1.00 2.30 H new ATOM 101 N VAL A 8 2.158 -5.497 6.687 1.00 0.99 N ATOM 102 CA VAL A 8 0.951 -6.097 6.077 1.00 1.07 C ATOM 103 C VAL A 8 -0.082 -6.407 7.170 1.00 1.25 C ATOM 104 O VAL A 8 0.297 -6.782 8.274 1.00 1.45 O ATOM 105 CB VAL A 8 1.313 -7.355 5.256 1.00 1.15 C ATOM 106 CG1 VAL A 8 0.095 -7.916 4.503 1.00 1.30 C ATOM 107 CG2 VAL A 8 2.435 -7.076 4.236 1.00 1.08 C ATOM 0 H VAL A 8 2.712 -6.171 7.215 1.00 0.99 H new ATOM 0 HA VAL A 8 0.509 -5.382 5.383 1.00 1.07 H new ATOM 0 HB VAL A 8 1.662 -8.091 5.980 1.00 1.15 H new ATOM 0 HG11 VAL A 8 0.392 -8.800 3.938 1.00 1.30 H new ATOM 0 HG12 VAL A 8 -0.682 -8.186 5.218 1.00 1.30 H new ATOM 0 HG13 VAL A 8 -0.289 -7.160 3.818 1.00 1.30 H new ATOM 0 HG21 VAL A 8 2.657 -7.988 3.681 1.00 1.08 H new ATOM 0 HG22 VAL A 8 2.112 -6.299 3.543 1.00 1.08 H new ATOM 0 HG23 VAL A 8 3.330 -6.744 4.762 1.00 1.08 H new ATOM 117 N ARG A 9 -1.377 -6.227 6.871 1.00 1.35 N ATOM 118 CA ARG A 9 -2.449 -6.042 7.869 1.00 1.30 C ATOM 119 C ARG A 9 -2.885 -7.286 8.680 1.00 1.21 C ATOM 120 O ARG A 9 -3.642 -7.120 9.636 1.00 2.18 O ATOM 121 CB ARG A 9 -3.635 -5.392 7.119 1.00 1.60 C ATOM 122 CG ARG A 9 -4.862 -5.011 7.965 1.00 1.77 C ATOM 123 CD ARG A 9 -5.947 -6.105 7.937 1.00 3.13 C ATOM 124 NE ARG A 9 -6.869 -5.986 9.070 1.00 3.69 N ATOM 125 CZ ARG A 9 -8.059 -6.553 9.205 1.00 4.82 C ATOM 126 NH1 ARG A 9 -8.585 -7.344 8.291 1.00 5.69 N ATOM 127 NH2 ARG A 9 -8.746 -6.323 10.294 1.00 5.45 N ATOM 0 H ARG A 9 -1.719 -6.205 5.910 1.00 1.35 H new ATOM 0 HA ARG A 9 -2.048 -5.409 8.661 1.00 1.30 H new ATOM 0 HB2 ARG A 9 -3.272 -4.492 6.622 1.00 1.60 H new ATOM 0 HB3 ARG A 9 -3.960 -6.078 6.337 1.00 1.60 H new ATOM 0 HG2 ARG A 9 -4.551 -4.835 8.995 1.00 1.77 H new ATOM 0 HG3 ARG A 9 -5.281 -4.076 7.594 1.00 1.77 H new ATOM 0 HD2 ARG A 9 -6.507 -6.038 7.004 1.00 3.13 H new ATOM 0 HD3 ARG A 9 -5.474 -7.087 7.955 1.00 3.13 H new ATOM 0 HE ARG A 9 -6.559 -5.399 9.844 1.00 3.69 H new ATOM 0 HH11 ARG A 9 -8.071 -7.543 7.433 1.00 5.69 H new ATOM 0 HH12 ARG A 9 -9.505 -7.757 8.442 1.00 5.69 H new ATOM 0 HH21 ARG A 9 -8.364 -5.717 11.020 1.00 5.45 H new ATOM 0 HH22 ARG A 9 -9.664 -6.750 10.417 1.00 5.45 H new ATOM 141 N PHE A 10 -2.531 -8.511 8.250 1.00 1.71 N ATOM 142 CA PHE A 10 -2.944 -9.806 8.827 1.00 1.71 C ATOM 143 C PHE A 10 -4.424 -10.092 8.522 1.00 1.51 C ATOM 144 O PHE A 10 -5.338 -9.412 8.980 1.00 1.79 O ATOM 145 CB PHE A 10 -2.592 -9.924 10.333 1.00 2.19 C ATOM 146 CG PHE A 10 -3.111 -11.119 11.129 1.00 2.25 C ATOM 147 CD1 PHE A 10 -3.579 -12.303 10.531 1.00 2.65 C ATOM 148 CD2 PHE A 10 -3.132 -11.024 12.533 1.00 3.00 C ATOM 149 CE1 PHE A 10 -4.096 -13.351 11.305 1.00 2.57 C ATOM 150 CE2 PHE A 10 -3.630 -12.080 13.318 1.00 3.25 C ATOM 151 CZ PHE A 10 -4.128 -13.242 12.704 1.00 2.49 C ATOM 0 H PHE A 10 -1.915 -8.632 7.446 1.00 1.71 H new ATOM 0 HA PHE A 10 -2.363 -10.590 8.340 1.00 1.71 H new ATOM 0 HB2 PHE A 10 -1.505 -9.921 10.417 1.00 2.19 H new ATOM 0 HB3 PHE A 10 -2.952 -9.021 10.826 1.00 2.19 H new ATOM 0 HD1 PHE A 10 -3.539 -12.406 9.457 1.00 2.65 H new ATOM 0 HD2 PHE A 10 -2.762 -10.130 13.013 1.00 3.00 H new ATOM 0 HE1 PHE A 10 -4.470 -14.243 10.825 1.00 2.57 H new ATOM 0 HE2 PHE A 10 -3.630 -11.998 14.395 1.00 3.25 H new ATOM 0 HZ PHE A 10 -4.532 -14.044 13.304 1.00 2.49 H new ATOM 161 N SER A 11 -4.679 -11.145 7.752 1.00 1.31 N ATOM 162 CA SER A 11 -6.003 -11.733 7.508 1.00 1.25 C ATOM 163 C SER A 11 -5.819 -13.157 6.954 1.00 1.23 C ATOM 164 O SER A 11 -4.851 -13.381 6.227 1.00 1.27 O ATOM 165 CB SER A 11 -6.815 -10.866 6.531 1.00 1.22 C ATOM 166 OG SER A 11 -7.165 -9.626 7.128 1.00 2.26 O ATOM 0 H SER A 11 -3.937 -11.639 7.255 1.00 1.31 H new ATOM 0 HA SER A 11 -6.560 -11.777 8.444 1.00 1.25 H new ATOM 0 HB2 SER A 11 -6.234 -10.688 5.626 1.00 1.22 H new ATOM 0 HB3 SER A 11 -7.718 -11.398 6.230 1.00 1.22 H new ATOM 0 HG SER A 11 -6.786 -9.579 8.031 1.00 2.26 H new ATOM 172 N PRO A 12 -6.700 -14.127 7.278 1.00 1.40 N ATOM 173 CA PRO A 12 -6.604 -15.490 6.753 1.00 1.50 C ATOM 174 C PRO A 12 -7.028 -15.585 5.281 1.00 1.26 C ATOM 175 O PRO A 12 -6.483 -16.386 4.527 1.00 1.34 O ATOM 176 CB PRO A 12 -7.530 -16.322 7.645 1.00 1.81 C ATOM 177 CG PRO A 12 -8.591 -15.320 8.104 1.00 1.84 C ATOM 178 CD PRO A 12 -7.795 -14.023 8.235 1.00 1.70 C ATOM 0 HA PRO A 12 -5.574 -15.845 6.773 1.00 1.50 H new ATOM 0 HB2 PRO A 12 -7.975 -17.152 7.096 1.00 1.81 H new ATOM 0 HB3 PRO A 12 -6.992 -16.751 8.491 1.00 1.81 H new ATOM 0 HG2 PRO A 12 -9.400 -15.227 7.380 1.00 1.84 H new ATOM 0 HG3 PRO A 12 -9.043 -15.615 9.051 1.00 1.84 H new ATOM 0 HD2 PRO A 12 -8.421 -13.157 8.019 1.00 1.70 H new ATOM 0 HD3 PRO A 12 -7.416 -13.898 9.249 1.00 1.70 H new ATOM 186 N GLY A 13 -7.996 -14.759 4.877 1.00 1.14 N ATOM 187 CA GLY A 13 -8.600 -14.748 3.546 1.00 1.05 C ATOM 188 C GLY A 13 -10.070 -14.311 3.599 1.00 1.09 C ATOM 189 O GLY A 13 -10.614 -14.152 4.694 1.00 1.24 O ATOM 0 H GLY A 13 -8.395 -14.052 5.494 1.00 1.14 H new ATOM 0 HA2 GLY A 13 -8.042 -14.073 2.898 1.00 1.05 H new ATOM 0 HA3 GLY A 13 -8.531 -15.743 3.106 1.00 1.05 H new ATOM 193 N PRO A 14 -10.733 -14.093 2.446 1.00 1.05 N ATOM 194 CA PRO A 14 -10.192 -14.197 1.093 1.00 0.97 C ATOM 195 C PRO A 14 -9.322 -12.990 0.702 1.00 0.91 C ATOM 196 O PRO A 14 -8.787 -12.970 -0.406 1.00 0.88 O ATOM 197 CB PRO A 14 -11.432 -14.296 0.197 1.00 1.06 C ATOM 198 CG PRO A 14 -12.452 -13.425 0.930 1.00 1.15 C ATOM 199 CD PRO A 14 -12.140 -13.712 2.398 1.00 1.15 C ATOM 0 HA PRO A 14 -9.527 -15.055 0.998 1.00 0.97 H new ATOM 0 HB2 PRO A 14 -11.234 -13.927 -0.809 1.00 1.06 H new ATOM 0 HB3 PRO A 14 -11.777 -15.325 0.097 1.00 1.06 H new ATOM 0 HG2 PRO A 14 -12.331 -12.369 0.689 1.00 1.15 H new ATOM 0 HG3 PRO A 14 -13.476 -13.696 0.673 1.00 1.15 H new ATOM 0 HD2 PRO A 14 -12.327 -12.833 3.015 1.00 1.15 H new ATOM 0 HD3 PRO A 14 -12.774 -14.512 2.782 1.00 1.15 H new ATOM 207 N ASN A 15 -9.165 -11.988 1.578 1.00 0.95 N ATOM 208 CA ASN A 15 -8.452 -10.752 1.290 1.00 0.85 C ATOM 209 C ASN A 15 -7.664 -10.203 2.496 1.00 0.89 C ATOM 210 O ASN A 15 -7.792 -10.665 3.628 1.00 1.25 O ATOM 211 CB ASN A 15 -9.438 -9.735 0.678 1.00 1.03 C ATOM 212 CG ASN A 15 -10.511 -9.162 1.601 1.00 1.44 C ATOM 213 OD1 ASN A 15 -10.464 -9.261 2.817 1.00 2.19 O ATOM 214 ND2 ASN A 15 -11.504 -8.505 1.026 1.00 1.69 N ATOM 0 H ASN A 15 -9.541 -12.023 2.525 1.00 0.95 H new ATOM 0 HA ASN A 15 -7.674 -10.961 0.555 1.00 0.85 H new ATOM 0 HB2 ASN A 15 -8.859 -8.904 0.275 1.00 1.03 H new ATOM 0 HB3 ASN A 15 -9.937 -10.213 -0.165 1.00 1.03 H new ATOM 0 HD21 ASN A 15 -12.233 -8.079 1.599 1.00 1.69 H new ATOM 0 HD22 ASN A 15 -11.541 -8.424 0.010 1.00 1.69 H new ATOM 221 N ALA A 16 -6.827 -9.203 2.210 1.00 0.66 N ATOM 222 CA ALA A 16 -5.945 -8.471 3.130 1.00 0.67 C ATOM 223 C ALA A 16 -5.686 -7.033 2.621 1.00 0.66 C ATOM 224 O ALA A 16 -6.154 -6.641 1.550 1.00 0.64 O ATOM 225 CB ALA A 16 -4.642 -9.277 3.319 1.00 0.69 C ATOM 0 H ALA A 16 -6.740 -8.855 1.255 1.00 0.66 H new ATOM 0 HA ALA A 16 -6.426 -8.365 4.103 1.00 0.67 H new ATOM 0 HB1 ALA A 16 -3.979 -8.743 4.000 1.00 0.69 H new ATOM 0 HB2 ALA A 16 -4.877 -10.257 3.735 1.00 0.69 H new ATOM 0 HB3 ALA A 16 -4.148 -9.401 2.355 1.00 0.69 H new ATOM 231 N ALA A 17 -4.926 -6.248 3.386 1.00 0.70 N ATOM 232 CA ALA A 17 -4.467 -4.886 3.075 1.00 0.70 C ATOM 233 C ALA A 17 -2.965 -4.782 3.398 1.00 0.72 C ATOM 234 O ALA A 17 -2.452 -5.619 4.142 1.00 1.08 O ATOM 235 CB ALA A 17 -5.240 -3.884 3.948 1.00 0.97 C ATOM 0 H ALA A 17 -4.592 -6.562 4.297 1.00 0.70 H new ATOM 0 HA ALA A 17 -4.638 -4.666 2.021 1.00 0.70 H new ATOM 0 HB1 ALA A 17 -4.905 -2.871 3.723 1.00 0.97 H new ATOM 0 HB2 ALA A 17 -6.307 -3.968 3.740 1.00 0.97 H new ATOM 0 HB3 ALA A 17 -5.057 -4.101 5.000 1.00 0.97 H new ATOM 241 N ALA A 18 -2.283 -3.733 2.939 1.00 0.59 N ATOM 242 CA ALA A 18 -0.882 -3.462 3.270 1.00 0.56 C ATOM 243 C ALA A 18 -0.554 -1.963 3.187 1.00 0.52 C ATOM 244 O ALA A 18 -1.182 -1.217 2.431 1.00 0.64 O ATOM 245 CB ALA A 18 0.028 -4.295 2.350 1.00 0.62 C ATOM 0 H ALA A 18 -2.693 -3.036 2.317 1.00 0.59 H new ATOM 0 HA ALA A 18 -0.703 -3.756 4.304 1.00 0.56 H new ATOM 0 HB1 ALA A 18 1.072 -4.096 2.593 1.00 0.62 H new ATOM 0 HB2 ALA A 18 -0.182 -5.355 2.493 1.00 0.62 H new ATOM 0 HB3 ALA A 18 -0.160 -4.025 1.311 1.00 0.62 H new ATOM 251 N TYR A 19 0.464 -1.540 3.940 1.00 0.55 N ATOM 252 CA TYR A 19 0.946 -0.155 4.024 1.00 0.66 C ATOM 253 C TYR A 19 2.481 -0.139 4.055 1.00 0.77 C ATOM 254 O TYR A 19 3.076 -0.846 4.864 1.00 1.38 O ATOM 255 CB TYR A 19 0.416 0.529 5.303 1.00 0.73 C ATOM 256 CG TYR A 19 -0.972 0.116 5.758 1.00 0.81 C ATOM 257 CD1 TYR A 19 -1.124 -1.028 6.568 1.00 2.22 C ATOM 258 CD2 TYR A 19 -2.105 0.850 5.363 1.00 1.57 C ATOM 259 CE1 TYR A 19 -2.405 -1.463 6.950 1.00 2.56 C ATOM 260 CE2 TYR A 19 -3.390 0.431 5.757 1.00 1.57 C ATOM 261 CZ TYR A 19 -3.544 -0.741 6.535 1.00 1.49 C ATOM 262 OH TYR A 19 -4.785 -1.181 6.884 1.00 1.90 O ATOM 0 H TYR A 19 0.998 -2.176 4.532 1.00 0.55 H new ATOM 0 HA TYR A 19 0.583 0.386 3.150 1.00 0.66 H new ATOM 0 HB2 TYR A 19 1.116 0.328 6.114 1.00 0.73 H new ATOM 0 HB3 TYR A 19 0.417 1.607 5.140 1.00 0.73 H new ATOM 0 HD1 TYR A 19 -0.252 -1.573 6.897 1.00 2.22 H new ATOM 0 HD2 TYR A 19 -1.989 1.736 4.757 1.00 1.57 H new ATOM 0 HE1 TYR A 19 -2.517 -2.347 7.560 1.00 2.56 H new ATOM 0 HE2 TYR A 19 -4.258 1.004 5.466 1.00 1.57 H new ATOM 0 HH TYR A 19 -5.462 -0.572 6.521 1.00 1.90 H new ATOM 272 N LEU A 20 3.138 0.692 3.242 1.00 0.92 N ATOM 273 CA LEU A 20 4.596 0.845 3.282 1.00 1.02 C ATOM 274 C LEU A 20 5.057 2.250 2.887 1.00 0.88 C ATOM 275 O LEU A 20 4.291 3.027 2.311 1.00 0.77 O ATOM 276 CB LEU A 20 5.331 -0.308 2.547 1.00 1.34 C ATOM 277 CG LEU A 20 5.044 -0.664 1.069 1.00 1.39 C ATOM 278 CD1 LEU A 20 3.779 -1.524 0.909 1.00 2.82 C ATOM 279 CD2 LEU A 20 4.987 0.555 0.145 1.00 2.16 C ATOM 0 H LEU A 20 2.679 1.274 2.542 1.00 0.92 H new ATOM 0 HA LEU A 20 4.898 0.748 4.325 1.00 1.02 H new ATOM 0 HB2 LEU A 20 6.397 -0.092 2.615 1.00 1.34 H new ATOM 0 HB3 LEU A 20 5.151 -1.213 3.127 1.00 1.34 H new ATOM 0 HG LEU A 20 5.902 -1.258 0.754 1.00 1.39 H new ATOM 0 HD11 LEU A 20 3.621 -1.747 -0.146 1.00 2.82 H new ATOM 0 HD12 LEU A 20 3.900 -2.455 1.462 1.00 2.82 H new ATOM 0 HD13 LEU A 20 2.918 -0.980 1.298 1.00 2.82 H new ATOM 0 HD21 LEU A 20 4.782 0.229 -0.875 1.00 2.16 H new ATOM 0 HD22 LEU A 20 4.195 1.227 0.477 1.00 2.16 H new ATOM 0 HD23 LEU A 20 5.943 1.078 0.174 1.00 2.16 H new ATOM 291 N THR A 21 6.306 2.567 3.246 1.00 1.04 N ATOM 292 CA THR A 21 6.972 3.836 2.959 1.00 1.05 C ATOM 293 C THR A 21 7.677 3.766 1.622 1.00 1.16 C ATOM 294 O THR A 21 8.482 2.871 1.384 1.00 1.43 O ATOM 295 CB THR A 21 7.938 4.252 4.073 1.00 1.25 C ATOM 296 OG1 THR A 21 7.245 4.262 5.293 1.00 1.46 O ATOM 297 CG2 THR A 21 8.437 5.682 3.812 1.00 1.73 C ATOM 0 H THR A 21 6.901 1.920 3.764 1.00 1.04 H new ATOM 0 HA THR A 21 6.203 4.607 2.911 1.00 1.05 H new ATOM 0 HB THR A 21 8.775 3.555 4.102 1.00 1.25 H new ATOM 0 HG1 THR A 21 7.123 3.342 5.608 1.00 1.46 H new ATOM 0 HG21 THR A 21 9.124 5.978 4.605 1.00 1.73 H new ATOM 0 HG22 THR A 21 8.953 5.718 2.852 1.00 1.73 H new ATOM 0 HG23 THR A 21 7.588 6.366 3.794 1.00 1.73 H new ATOM 305 N LEU A 22 7.377 4.740 0.768 1.00 1.22 N ATOM 306 CA LEU A 22 8.047 4.975 -0.504 1.00 1.51 C ATOM 307 C LEU A 22 8.972 6.180 -0.350 1.00 1.28 C ATOM 308 O LEU A 22 8.521 7.245 0.073 1.00 1.29 O ATOM 309 CB LEU A 22 6.979 5.216 -1.590 1.00 1.97 C ATOM 310 CG LEU A 22 7.535 5.452 -3.009 1.00 2.70 C ATOM 311 CD1 LEU A 22 8.553 4.396 -3.450 1.00 2.74 C ATOM 312 CD2 LEU A 22 6.363 5.485 -4.000 1.00 4.04 C ATOM 0 H LEU A 22 6.632 5.412 0.951 1.00 1.22 H new ATOM 0 HA LEU A 22 8.647 4.114 -0.800 1.00 1.51 H new ATOM 0 HB2 LEU A 22 6.309 4.357 -1.617 1.00 1.97 H new ATOM 0 HB3 LEU A 22 6.379 6.079 -1.303 1.00 1.97 H new ATOM 0 HG LEU A 22 8.067 6.403 -2.994 1.00 2.70 H new ATOM 0 HD11 LEU A 22 8.902 4.625 -4.457 1.00 2.74 H new ATOM 0 HD12 LEU A 22 9.400 4.398 -2.764 1.00 2.74 H new ATOM 0 HD13 LEU A 22 8.083 3.413 -3.444 1.00 2.74 H new ATOM 0 HD21 LEU A 22 6.743 5.651 -5.008 1.00 4.04 H new ATOM 0 HD22 LEU A 22 5.830 4.535 -3.965 1.00 4.04 H new ATOM 0 HD23 LEU A 22 5.682 6.293 -3.731 1.00 4.04 H new ATOM 324 N GLU A 23 10.242 6.023 -0.713 1.00 1.17 N ATOM 325 CA GLU A 23 11.259 7.071 -0.665 1.00 1.02 C ATOM 326 C GLU A 23 12.075 7.035 -1.955 1.00 0.91 C ATOM 327 O GLU A 23 12.475 5.970 -2.423 1.00 1.22 O ATOM 328 CB GLU A 23 12.119 6.879 0.594 1.00 1.40 C ATOM 329 CG GLU A 23 13.121 8.023 0.836 1.00 2.78 C ATOM 330 CD GLU A 23 13.384 8.297 2.323 1.00 3.50 C ATOM 331 OE1 GLU A 23 12.933 7.519 3.193 1.00 3.67 O ATOM 332 OE2 GLU A 23 13.912 9.378 2.657 1.00 4.69 O ATOM 0 H GLU A 23 10.604 5.135 -1.060 1.00 1.17 H new ATOM 0 HA GLU A 23 10.805 8.059 -0.598 1.00 1.02 H new ATOM 0 HB2 GLU A 23 11.464 6.791 1.461 1.00 1.40 H new ATOM 0 HB3 GLU A 23 12.666 5.940 0.511 1.00 1.40 H new ATOM 0 HG2 GLU A 23 14.064 7.780 0.346 1.00 2.78 H new ATOM 0 HG3 GLU A 23 12.744 8.932 0.368 1.00 2.78 H new ATOM 339 N ASN A 24 12.275 8.206 -2.555 1.00 0.79 N ATOM 340 CA ASN A 24 12.944 8.373 -3.840 1.00 0.74 C ATOM 341 C ASN A 24 14.378 8.900 -3.635 1.00 0.77 C ATOM 342 O ASN A 24 14.562 10.103 -3.431 1.00 0.86 O ATOM 343 CB ASN A 24 12.130 9.363 -4.683 1.00 0.80 C ATOM 344 CG ASN A 24 12.687 9.460 -6.095 1.00 0.87 C ATOM 345 OD1 ASN A 24 13.632 8.781 -6.477 1.00 1.53 O ATOM 346 ND2 ASN A 24 12.097 10.298 -6.919 1.00 0.86 N ATOM 0 H ASN A 24 11.967 9.089 -2.148 1.00 0.79 H new ATOM 0 HA ASN A 24 13.009 7.413 -4.351 1.00 0.74 H new ATOM 0 HB2 ASN A 24 11.088 9.045 -4.720 1.00 0.80 H new ATOM 0 HB3 ASN A 24 12.146 10.346 -4.213 1.00 0.80 H new ATOM 0 HD21 ASN A 24 12.426 10.384 -7.881 1.00 0.86 H new ATOM 0 HD22 ASN A 24 11.310 10.861 -6.597 1.00 0.86 H new ATOM 353 N PRO A 25 15.415 8.049 -3.710 1.00 0.84 N ATOM 354 CA PRO A 25 16.802 8.497 -3.604 1.00 0.95 C ATOM 355 C PRO A 25 17.323 9.187 -4.875 1.00 0.95 C ATOM 356 O PRO A 25 18.406 9.769 -4.838 1.00 1.06 O ATOM 357 CB PRO A 25 17.592 7.217 -3.305 1.00 1.10 C ATOM 358 CG PRO A 25 16.781 6.143 -4.035 1.00 1.10 C ATOM 359 CD PRO A 25 15.346 6.600 -3.808 1.00 0.95 C ATOM 0 HA PRO A 25 16.906 9.258 -2.830 1.00 0.95 H new ATOM 0 HB2 PRO A 25 18.614 7.276 -3.678 1.00 1.10 H new ATOM 0 HB3 PRO A 25 17.654 7.020 -2.235 1.00 1.10 H new ATOM 0 HG2 PRO A 25 17.029 6.098 -5.095 1.00 1.10 H new ATOM 0 HG3 PRO A 25 16.960 5.150 -3.623 1.00 1.10 H new ATOM 0 HD2 PRO A 25 14.700 6.292 -4.630 1.00 0.95 H new ATOM 0 HD3 PRO A 25 14.934 6.164 -2.898 1.00 0.95 H new ATOM 367 N GLY A 26 16.583 9.135 -5.991 1.00 0.88 N ATOM 368 CA GLY A 26 16.994 9.686 -7.275 1.00 0.92 C ATOM 369 C GLY A 26 16.677 11.169 -7.418 1.00 0.84 C ATOM 370 O GLY A 26 16.109 11.815 -6.541 1.00 1.15 O ATOM 0 H GLY A 26 15.662 8.697 -6.019 1.00 0.88 H new ATOM 0 HA2 GLY A 26 18.066 9.536 -7.402 1.00 0.92 H new ATOM 0 HA3 GLY A 26 16.499 9.136 -8.075 1.00 0.92 H new ATOM 374 N ASP A 27 17.099 11.689 -8.560 1.00 0.91 N ATOM 375 CA ASP A 27 17.093 13.095 -8.952 1.00 1.31 C ATOM 376 C ASP A 27 15.973 13.418 -9.960 1.00 1.29 C ATOM 377 O ASP A 27 15.715 14.573 -10.286 1.00 1.54 O ATOM 378 CB ASP A 27 18.489 13.337 -9.535 1.00 1.74 C ATOM 379 CG ASP A 27 19.553 13.190 -8.443 1.00 2.15 C ATOM 380 OD1 ASP A 27 19.826 14.177 -7.730 1.00 2.88 O ATOM 381 OD2 ASP A 27 19.975 12.041 -8.172 1.00 2.86 O ATOM 0 H ASP A 27 17.485 11.096 -9.295 1.00 0.91 H new ATOM 0 HA ASP A 27 16.885 13.752 -8.107 1.00 1.31 H new ATOM 0 HB2 ASP A 27 18.683 12.627 -10.339 1.00 1.74 H new ATOM 0 HB3 ASP A 27 18.541 14.335 -9.971 1.00 1.74 H new ATOM 386 N LEU A 28 15.265 12.374 -10.399 1.00 1.06 N ATOM 387 CA LEU A 28 14.042 12.405 -11.201 1.00 0.99 C ATOM 388 C LEU A 28 12.907 11.702 -10.418 1.00 0.91 C ATOM 389 O LEU A 28 13.200 10.962 -9.474 1.00 0.90 O ATOM 390 CB LEU A 28 14.325 11.708 -12.546 1.00 1.07 C ATOM 391 CG LEU A 28 15.457 12.324 -13.396 1.00 2.45 C ATOM 392 CD1 LEU A 28 15.704 11.436 -14.624 1.00 3.53 C ATOM 393 CD2 LEU A 28 15.115 13.750 -13.858 1.00 3.64 C ATOM 0 H LEU A 28 15.553 11.418 -10.188 1.00 1.06 H new ATOM 0 HA LEU A 28 13.726 13.429 -11.401 1.00 0.99 H new ATOM 0 HB2 LEU A 28 14.571 10.665 -12.348 1.00 1.07 H new ATOM 0 HB3 LEU A 28 13.409 11.713 -13.136 1.00 1.07 H new ATOM 0 HG LEU A 28 16.352 12.380 -12.777 1.00 2.45 H new ATOM 0 HD11 LEU A 28 16.503 11.865 -15.229 1.00 3.53 H new ATOM 0 HD12 LEU A 28 15.993 10.437 -14.298 1.00 3.53 H new ATOM 0 HD13 LEU A 28 14.792 11.375 -15.218 1.00 3.53 H new ATOM 0 HD21 LEU A 28 15.938 14.147 -14.453 1.00 3.64 H new ATOM 0 HD22 LEU A 28 14.208 13.729 -14.462 1.00 3.64 H new ATOM 0 HD23 LEU A 28 14.957 14.386 -12.987 1.00 3.64 H new ATOM 405 N PRO A 29 11.623 11.921 -10.752 1.00 0.94 N ATOM 406 CA PRO A 29 10.510 11.521 -9.903 1.00 0.86 C ATOM 407 C PRO A 29 10.143 10.043 -10.098 1.00 0.82 C ATOM 408 O PRO A 29 10.320 9.482 -11.182 1.00 0.93 O ATOM 409 CB PRO A 29 9.362 12.461 -10.280 1.00 0.93 C ATOM 410 CG PRO A 29 9.623 12.775 -11.754 1.00 1.03 C ATOM 411 CD PRO A 29 11.141 12.647 -11.917 1.00 1.06 C ATOM 0 HA PRO A 29 10.758 11.603 -8.845 1.00 0.86 H new ATOM 0 HB2 PRO A 29 8.391 11.986 -10.137 1.00 0.93 H new ATOM 0 HB3 PRO A 29 9.367 13.365 -9.671 1.00 0.93 H new ATOM 0 HG2 PRO A 29 9.095 12.080 -12.406 1.00 1.03 H new ATOM 0 HG3 PRO A 29 9.280 13.777 -12.012 1.00 1.03 H new ATOM 0 HD2 PRO A 29 11.389 12.115 -12.835 1.00 1.06 H new ATOM 0 HD3 PRO A 29 11.608 13.630 -11.982 1.00 1.06 H new ATOM 419 N LEU A 30 9.593 9.433 -9.041 1.00 0.75 N ATOM 420 CA LEU A 30 8.979 8.105 -9.080 1.00 0.70 C ATOM 421 C LEU A 30 7.457 8.248 -9.038 1.00 0.63 C ATOM 422 O LEU A 30 6.888 9.129 -8.396 1.00 0.67 O ATOM 423 CB LEU A 30 9.445 7.235 -7.896 1.00 0.73 C ATOM 424 CG LEU A 30 10.781 6.465 -8.032 1.00 0.87 C ATOM 425 CD1 LEU A 30 11.877 7.176 -8.840 1.00 2.04 C ATOM 426 CD2 LEU A 30 11.274 6.027 -6.650 1.00 2.16 C ATOM 0 H LEU A 30 9.563 9.861 -8.115 1.00 0.75 H new ATOM 0 HA LEU A 30 9.286 7.615 -10.004 1.00 0.70 H new ATOM 0 HB2 LEU A 30 9.520 7.879 -7.020 1.00 0.73 H new ATOM 0 HB3 LEU A 30 8.661 6.506 -7.690 1.00 0.73 H new ATOM 0 HG LEU A 30 10.556 5.587 -8.637 1.00 0.87 H new ATOM 0 HD11 LEU A 30 12.769 6.550 -8.873 1.00 2.04 H new ATOM 0 HD12 LEU A 30 11.522 7.356 -9.855 1.00 2.04 H new ATOM 0 HD13 LEU A 30 12.119 8.128 -8.366 1.00 2.04 H new ATOM 0 HD21 LEU A 30 12.214 5.486 -6.754 1.00 2.16 H new ATOM 0 HD22 LEU A 30 11.428 6.905 -6.023 1.00 2.16 H new ATOM 0 HD23 LEU A 30 10.531 5.377 -6.188 1.00 2.16 H new ATOM 438 N ARG A 31 6.813 7.279 -9.671 1.00 0.58 N ATOM 439 CA ARG A 31 5.362 7.121 -9.725 1.00 0.55 C ATOM 440 C ARG A 31 5.031 5.648 -9.592 1.00 0.53 C ATOM 441 O ARG A 31 5.435 4.853 -10.440 1.00 0.56 O ATOM 442 CB ARG A 31 4.811 7.668 -11.044 1.00 0.59 C ATOM 443 CG ARG A 31 3.274 7.720 -11.000 1.00 0.72 C ATOM 444 CD ARG A 31 2.666 8.410 -12.222 1.00 0.82 C ATOM 445 NE ARG A 31 2.844 9.867 -12.165 1.00 1.23 N ATOM 446 CZ ARG A 31 2.362 10.753 -13.024 1.00 1.62 C ATOM 447 NH1 ARG A 31 1.669 10.382 -14.081 1.00 2.27 N ATOM 448 NH2 ARG A 31 2.575 12.030 -12.826 1.00 2.26 N ATOM 0 H ARG A 31 7.306 6.548 -10.184 1.00 0.58 H new ATOM 0 HA ARG A 31 4.903 7.681 -8.910 1.00 0.55 H new ATOM 0 HB2 ARG A 31 5.210 8.666 -11.227 1.00 0.59 H new ATOM 0 HB3 ARG A 31 5.137 7.038 -11.871 1.00 0.59 H new ATOM 0 HG2 ARG A 31 2.883 6.705 -10.930 1.00 0.72 H new ATOM 0 HG3 ARG A 31 2.959 8.245 -10.098 1.00 0.72 H new ATOM 0 HD2 ARG A 31 3.130 8.021 -13.128 1.00 0.82 H new ATOM 0 HD3 ARG A 31 1.603 8.175 -12.282 1.00 0.82 H new ATOM 0 HE ARG A 31 3.393 10.233 -11.387 1.00 1.23 H new ATOM 0 HH11 ARG A 31 1.492 9.392 -14.253 1.00 2.27 H new ATOM 0 HH12 ARG A 31 1.309 11.084 -14.727 1.00 2.27 H new ATOM 0 HH21 ARG A 31 3.110 12.338 -12.014 1.00 2.26 H new ATOM 0 HH22 ARG A 31 2.206 12.717 -13.484 1.00 2.26 H new ATOM 462 N LEU A 32 4.333 5.293 -8.524 1.00 0.53 N ATOM 463 CA LEU A 32 3.946 3.944 -8.130 1.00 0.51 C ATOM 464 C LEU A 32 2.559 3.665 -8.690 1.00 0.46 C ATOM 465 O LEU A 32 1.606 4.313 -8.288 1.00 0.45 O ATOM 466 CB LEU A 32 4.001 3.945 -6.596 1.00 0.52 C ATOM 467 CG LEU A 32 3.584 2.687 -5.809 1.00 0.75 C ATOM 468 CD1 LEU A 32 2.059 2.501 -5.778 1.00 2.28 C ATOM 469 CD2 LEU A 32 4.308 1.436 -6.315 1.00 1.83 C ATOM 0 H LEU A 32 3.997 5.991 -7.860 1.00 0.53 H new ATOM 0 HA LEU A 32 4.594 3.156 -8.513 1.00 0.51 H new ATOM 0 HB2 LEU A 32 5.025 4.182 -6.309 1.00 0.52 H new ATOM 0 HB3 LEU A 32 3.374 4.767 -6.250 1.00 0.52 H new ATOM 0 HG LEU A 32 3.897 2.840 -4.776 1.00 0.75 H new ATOM 0 HD11 LEU A 32 1.814 1.602 -5.213 1.00 2.28 H new ATOM 0 HD12 LEU A 32 1.597 3.366 -5.303 1.00 2.28 H new ATOM 0 HD13 LEU A 32 1.684 2.403 -6.797 1.00 2.28 H new ATOM 0 HD21 LEU A 32 3.987 0.570 -5.735 1.00 1.83 H new ATOM 0 HD22 LEU A 32 4.069 1.277 -7.366 1.00 1.83 H new ATOM 0 HD23 LEU A 32 5.384 1.569 -6.204 1.00 1.83 H new ATOM 481 N VAL A 33 2.446 2.713 -9.610 1.00 0.47 N ATOM 482 CA VAL A 33 1.192 2.409 -10.323 1.00 0.49 C ATOM 483 C VAL A 33 0.517 1.135 -9.784 1.00 0.49 C ATOM 484 O VAL A 33 -0.691 0.976 -9.926 1.00 0.52 O ATOM 485 CB VAL A 33 1.425 2.289 -11.850 1.00 0.57 C ATOM 486 CG1 VAL A 33 1.910 3.628 -12.438 1.00 0.62 C ATOM 487 CG2 VAL A 33 2.440 1.201 -12.255 1.00 0.57 C ATOM 0 H VAL A 33 3.226 2.119 -9.891 1.00 0.47 H new ATOM 0 HA VAL A 33 0.518 3.246 -10.141 1.00 0.49 H new ATOM 0 HB VAL A 33 0.453 2.004 -12.253 1.00 0.57 H new ATOM 0 HG11 VAL A 33 2.067 3.519 -13.511 1.00 0.62 H new ATOM 0 HG12 VAL A 33 1.160 4.398 -12.257 1.00 0.62 H new ATOM 0 HG13 VAL A 33 2.847 3.916 -11.962 1.00 0.62 H new ATOM 0 HG21 VAL A 33 2.543 1.185 -13.340 1.00 0.57 H new ATOM 0 HG22 VAL A 33 3.407 1.419 -11.802 1.00 0.57 H new ATOM 0 HG23 VAL A 33 2.088 0.229 -11.910 1.00 0.57 H new ATOM 497 N GLY A 34 1.292 0.213 -9.188 1.00 0.49 N ATOM 498 CA GLY A 34 0.775 -1.020 -8.581 1.00 0.54 C ATOM 499 C GLY A 34 1.730 -1.695 -7.609 1.00 0.55 C ATOM 500 O GLY A 34 2.831 -1.215 -7.344 1.00 0.54 O ATOM 0 H GLY A 34 2.305 0.306 -9.115 1.00 0.49 H new ATOM 0 HA2 GLY A 34 -0.153 -0.790 -8.058 1.00 0.54 H new ATOM 0 HA3 GLY A 34 0.527 -1.724 -9.375 1.00 0.54 H new ATOM 504 N ALA A 35 1.306 -2.858 -7.121 1.00 0.63 N ATOM 505 CA ALA A 35 2.147 -3.815 -6.409 1.00 0.64 C ATOM 506 C ALA A 35 2.131 -5.205 -7.071 1.00 0.53 C ATOM 507 O ALA A 35 1.374 -5.450 -8.013 1.00 0.55 O ATOM 508 CB ALA A 35 1.660 -3.893 -4.957 1.00 0.81 C ATOM 0 H ALA A 35 0.339 -3.169 -7.213 1.00 0.63 H new ATOM 0 HA ALA A 35 3.182 -3.474 -6.442 1.00 0.64 H new ATOM 0 HB1 ALA A 35 2.275 -4.604 -4.405 1.00 0.81 H new ATOM 0 HB2 ALA A 35 1.737 -2.909 -4.494 1.00 0.81 H new ATOM 0 HB3 ALA A 35 0.621 -4.222 -4.939 1.00 0.81 H new ATOM 514 N ARG A 36 2.899 -6.139 -6.511 1.00 0.54 N ATOM 515 CA ARG A 36 2.780 -7.585 -6.723 1.00 0.56 C ATOM 516 C ARG A 36 3.416 -8.271 -5.512 1.00 0.58 C ATOM 517 O ARG A 36 4.362 -7.740 -4.937 1.00 0.89 O ATOM 518 CB ARG A 36 3.400 -7.991 -8.080 1.00 0.82 C ATOM 519 CG ARG A 36 3.657 -9.502 -8.187 1.00 1.50 C ATOM 520 CD ARG A 36 4.277 -9.919 -9.520 1.00 1.85 C ATOM 521 NE ARG A 36 5.720 -9.657 -9.512 1.00 2.97 N ATOM 522 CZ ARG A 36 6.590 -9.828 -10.492 1.00 4.11 C ATOM 523 NH1 ARG A 36 6.237 -10.262 -11.688 1.00 4.49 N ATOM 524 NH2 ARG A 36 7.849 -9.554 -10.230 1.00 5.82 N ATOM 0 H ARG A 36 3.655 -5.900 -5.869 1.00 0.54 H new ATOM 0 HA ARG A 36 1.740 -7.904 -6.791 1.00 0.56 H new ATOM 0 HB2 ARG A 36 2.734 -7.682 -8.886 1.00 0.82 H new ATOM 0 HB3 ARG A 36 4.339 -7.456 -8.220 1.00 0.82 H new ATOM 0 HG2 ARG A 36 4.317 -9.809 -7.376 1.00 1.50 H new ATOM 0 HG3 ARG A 36 2.715 -10.034 -8.050 1.00 1.50 H new ATOM 0 HD2 ARG A 36 4.093 -10.978 -9.699 1.00 1.85 H new ATOM 0 HD3 ARG A 36 3.805 -9.371 -10.336 1.00 1.85 H new ATOM 0 HE ARG A 36 6.101 -9.296 -8.637 1.00 2.97 H new ATOM 0 HH11 ARG A 36 5.260 -10.479 -11.884 1.00 4.49 H new ATOM 0 HH12 ARG A 36 6.941 -10.380 -12.416 1.00 4.49 H new ATOM 0 HH21 ARG A 36 8.117 -9.225 -9.302 1.00 5.82 H new ATOM 0 HH22 ARG A 36 8.558 -9.670 -10.954 1.00 5.82 H new ATOM 538 N THR A 37 2.922 -9.437 -5.101 1.00 0.59 N ATOM 539 CA THR A 37 3.286 -10.096 -3.837 1.00 0.54 C ATOM 540 C THR A 37 2.938 -11.584 -3.952 1.00 0.62 C ATOM 541 O THR A 37 2.019 -11.896 -4.706 1.00 0.68 O ATOM 542 CB THR A 37 2.575 -9.367 -2.684 1.00 0.49 C ATOM 543 OG1 THR A 37 2.882 -9.953 -1.456 1.00 0.57 O ATOM 544 CG2 THR A 37 1.045 -9.332 -2.803 1.00 0.57 C ATOM 0 H THR A 37 2.242 -9.966 -5.646 1.00 0.59 H new ATOM 0 HA THR A 37 4.354 -10.040 -3.626 1.00 0.54 H new ATOM 0 HB THR A 37 2.944 -8.343 -2.747 1.00 0.49 H new ATOM 0 HG1 THR A 37 3.803 -9.728 -1.207 1.00 0.57 H new ATOM 0 HG21 THR A 37 0.626 -8.800 -1.949 1.00 0.57 H new ATOM 0 HG22 THR A 37 0.763 -8.821 -3.723 1.00 0.57 H new ATOM 0 HG23 THR A 37 0.658 -10.351 -2.821 1.00 0.57 H new ATOM 552 N PRO A 38 3.621 -12.518 -3.259 1.00 0.70 N ATOM 553 CA PRO A 38 3.370 -13.950 -3.439 1.00 0.76 C ATOM 554 C PRO A 38 2.084 -14.449 -2.766 1.00 0.79 C ATOM 555 O PRO A 38 1.789 -15.637 -2.815 1.00 0.86 O ATOM 556 CB PRO A 38 4.612 -14.629 -2.882 1.00 0.84 C ATOM 557 CG PRO A 38 5.154 -13.672 -1.828 1.00 0.86 C ATOM 558 CD PRO A 38 4.742 -12.299 -2.352 1.00 0.78 C ATOM 0 HA PRO A 38 3.200 -14.183 -4.490 1.00 0.76 H new ATOM 0 HB2 PRO A 38 4.369 -15.598 -2.446 1.00 0.84 H new ATOM 0 HB3 PRO A 38 5.348 -14.808 -3.666 1.00 0.84 H new ATOM 0 HG2 PRO A 38 4.726 -13.872 -0.846 1.00 0.86 H new ATOM 0 HG3 PRO A 38 6.236 -13.756 -1.728 1.00 0.86 H new ATOM 0 HD2 PRO A 38 4.454 -11.642 -1.532 1.00 0.78 H new ATOM 0 HD3 PRO A 38 5.571 -11.817 -2.870 1.00 0.78 H new ATOM 566 N VAL A 39 1.350 -13.544 -2.119 1.00 0.89 N ATOM 567 CA VAL A 39 0.183 -13.805 -1.262 1.00 0.90 C ATOM 568 C VAL A 39 -1.120 -13.137 -1.727 1.00 0.85 C ATOM 569 O VAL A 39 -1.976 -12.864 -0.893 1.00 0.88 O ATOM 570 CB VAL A 39 0.503 -13.395 0.195 1.00 0.94 C ATOM 571 CG1 VAL A 39 1.642 -14.253 0.764 1.00 1.04 C ATOM 572 CG2 VAL A 39 0.870 -11.905 0.261 1.00 0.93 C ATOM 0 H VAL A 39 1.563 -12.548 -2.180 1.00 0.89 H new ATOM 0 HA VAL A 39 -0.003 -14.877 -1.331 1.00 0.90 H new ATOM 0 HB VAL A 39 -0.387 -13.563 0.802 1.00 0.94 H new ATOM 0 HG11 VAL A 39 1.850 -13.948 1.789 1.00 1.04 H new ATOM 0 HG12 VAL A 39 1.348 -15.303 0.751 1.00 1.04 H new ATOM 0 HG13 VAL A 39 2.537 -14.119 0.156 1.00 1.04 H new ATOM 0 HG21 VAL A 39 1.093 -11.630 1.292 1.00 0.93 H new ATOM 0 HG22 VAL A 39 1.745 -11.718 -0.361 1.00 0.93 H new ATOM 0 HG23 VAL A 39 0.033 -11.308 -0.101 1.00 0.93 H new ATOM 582 N ALA A 40 -1.312 -12.888 -3.028 1.00 0.89 N ATOM 583 CA ALA A 40 -2.608 -12.485 -3.601 1.00 0.89 C ATOM 584 C ALA A 40 -2.664 -12.791 -5.110 1.00 1.00 C ATOM 585 O ALA A 40 -1.657 -12.625 -5.802 1.00 1.15 O ATOM 586 CB ALA A 40 -2.802 -10.980 -3.363 1.00 0.88 C ATOM 0 H ALA A 40 -0.567 -12.960 -3.721 1.00 0.89 H new ATOM 0 HA ALA A 40 -3.405 -13.049 -3.117 1.00 0.89 H new ATOM 0 HB1 ALA A 40 -3.758 -10.666 -3.782 1.00 0.88 H new ATOM 0 HB2 ALA A 40 -2.790 -10.777 -2.292 1.00 0.88 H new ATOM 0 HB3 ALA A 40 -1.995 -10.428 -3.846 1.00 0.88 H new ATOM 592 N GLU A 41 -3.826 -13.209 -5.619 1.00 1.08 N ATOM 593 CA GLU A 41 -4.096 -13.423 -7.046 1.00 1.19 C ATOM 594 C GLU A 41 -4.029 -12.106 -7.842 1.00 1.08 C ATOM 595 O GLU A 41 -3.519 -12.049 -8.960 1.00 1.40 O ATOM 596 CB GLU A 41 -5.503 -14.038 -7.182 1.00 1.26 C ATOM 597 CG GLU A 41 -5.722 -14.797 -8.496 1.00 1.43 C ATOM 598 CD GLU A 41 -5.005 -16.143 -8.433 1.00 1.76 C ATOM 599 OE1 GLU A 41 -5.557 -17.084 -7.823 1.00 3.02 O ATOM 600 OE2 GLU A 41 -3.814 -16.215 -8.808 1.00 2.31 O ATOM 0 H GLU A 41 -4.633 -13.415 -5.030 1.00 1.08 H new ATOM 0 HA GLU A 41 -3.336 -14.090 -7.453 1.00 1.19 H new ATOM 0 HB2 GLU A 41 -5.674 -14.718 -6.348 1.00 1.26 H new ATOM 0 HB3 GLU A 41 -6.246 -13.244 -7.104 1.00 1.26 H new ATOM 0 HG2 GLU A 41 -6.788 -14.949 -8.667 1.00 1.43 H new ATOM 0 HG3 GLU A 41 -5.345 -14.211 -9.334 1.00 1.43 H new ATOM 607 N ARG A 42 -4.528 -11.021 -7.243 1.00 0.77 N ATOM 608 CA ARG A 42 -4.498 -9.670 -7.763 1.00 0.73 C ATOM 609 C ARG A 42 -4.449 -8.708 -6.570 1.00 0.76 C ATOM 610 O ARG A 42 -5.040 -8.962 -5.524 1.00 1.22 O ATOM 611 CB ARG A 42 -5.723 -9.490 -8.681 1.00 0.99 C ATOM 612 CG ARG A 42 -5.985 -8.019 -8.993 1.00 2.17 C ATOM 613 CD ARG A 42 -6.995 -7.816 -10.131 1.00 2.41 C ATOM 614 NE ARG A 42 -7.421 -6.410 -10.169 1.00 4.12 N ATOM 615 CZ ARG A 42 -7.610 -5.577 -11.178 1.00 5.30 C ATOM 616 NH1 ARG A 42 -7.500 -5.948 -12.439 1.00 5.41 N ATOM 617 NH2 ARG A 42 -7.928 -4.333 -10.896 1.00 7.03 N ATOM 0 H ARG A 42 -4.986 -11.075 -6.333 1.00 0.77 H new ATOM 0 HA ARG A 42 -3.618 -9.458 -8.371 1.00 0.73 H new ATOM 0 HB2 ARG A 42 -5.564 -10.036 -9.611 1.00 0.99 H new ATOM 0 HB3 ARG A 42 -6.602 -9.923 -8.203 1.00 0.99 H new ATOM 0 HG2 ARG A 42 -6.354 -7.523 -8.095 1.00 2.17 H new ATOM 0 HG3 ARG A 42 -5.044 -7.537 -9.260 1.00 2.17 H new ATOM 0 HD2 ARG A 42 -6.545 -8.096 -11.084 1.00 2.41 H new ATOM 0 HD3 ARG A 42 -7.859 -8.464 -9.984 1.00 2.41 H new ATOM 0 HE ARG A 42 -7.604 -6.004 -9.251 1.00 4.12 H new ATOM 0 HH11 ARG A 42 -7.260 -6.913 -12.668 1.00 5.41 H new ATOM 0 HH12 ARG A 42 -7.655 -5.270 -13.185 1.00 5.41 H new ATOM 0 HH21 ARG A 42 -8.021 -4.038 -9.924 1.00 7.03 H new ATOM 0 HH22 ARG A 42 -8.081 -3.663 -11.649 1.00 7.03 H new ATOM 631 N VAL A 43 -3.727 -7.604 -6.728 1.00 0.55 N ATOM 632 CA VAL A 43 -3.640 -6.500 -5.762 1.00 0.63 C ATOM 633 C VAL A 43 -4.142 -5.209 -6.418 1.00 0.69 C ATOM 634 O VAL A 43 -3.747 -4.898 -7.541 1.00 0.84 O ATOM 635 CB VAL A 43 -2.204 -6.362 -5.198 1.00 0.75 C ATOM 636 CG1 VAL A 43 -1.117 -6.167 -6.268 1.00 0.87 C ATOM 637 CG2 VAL A 43 -2.072 -5.241 -4.157 1.00 0.90 C ATOM 0 H VAL A 43 -3.163 -7.441 -7.562 1.00 0.55 H new ATOM 0 HA VAL A 43 -4.281 -6.714 -4.907 1.00 0.63 H new ATOM 0 HB VAL A 43 -2.035 -7.326 -4.718 1.00 0.75 H new ATOM 0 HG11 VAL A 43 -0.143 -6.079 -5.786 1.00 0.87 H new ATOM 0 HG12 VAL A 43 -1.112 -7.023 -6.942 1.00 0.87 H new ATOM 0 HG13 VAL A 43 -1.324 -5.260 -6.836 1.00 0.87 H new ATOM 0 HG21 VAL A 43 -1.043 -5.195 -3.800 1.00 0.90 H new ATOM 0 HG22 VAL A 43 -2.341 -4.288 -4.613 1.00 0.90 H new ATOM 0 HG23 VAL A 43 -2.738 -5.443 -3.318 1.00 0.90 H new ATOM 647 N GLU A 44 -5.008 -4.482 -5.708 1.00 0.82 N ATOM 648 CA GLU A 44 -5.386 -3.099 -6.015 1.00 0.63 C ATOM 649 C GLU A 44 -4.572 -2.132 -5.158 1.00 0.67 C ATOM 650 O GLU A 44 -4.066 -2.508 -4.095 1.00 0.93 O ATOM 651 CB GLU A 44 -6.846 -2.784 -5.647 1.00 0.89 C ATOM 652 CG GLU A 44 -7.909 -3.802 -6.017 1.00 1.71 C ATOM 653 CD GLU A 44 -7.966 -4.139 -7.499 1.00 1.85 C ATOM 654 OE1 GLU A 44 -7.838 -3.227 -8.342 1.00 2.79 O ATOM 655 OE2 GLU A 44 -8.203 -5.319 -7.819 1.00 3.21 O ATOM 0 H GLU A 44 -5.479 -4.849 -4.881 1.00 0.82 H new ATOM 0 HA GLU A 44 -5.218 -2.987 -7.086 1.00 0.63 H new ATOM 0 HB2 GLU A 44 -6.893 -2.629 -4.569 1.00 0.89 H new ATOM 0 HB3 GLU A 44 -7.112 -1.837 -6.117 1.00 0.89 H new ATOM 0 HG2 GLU A 44 -7.729 -4.718 -5.455 1.00 1.71 H new ATOM 0 HG3 GLU A 44 -8.882 -3.423 -5.705 1.00 1.71 H new ATOM 662 N LEU A 45 -4.640 -0.850 -5.515 1.00 0.73 N ATOM 663 CA LEU A 45 -4.407 0.230 -4.552 1.00 0.99 C ATOM 664 C LEU A 45 -5.615 1.140 -4.397 1.00 0.79 C ATOM 665 O LEU A 45 -6.274 1.551 -5.356 1.00 0.77 O ATOM 666 CB LEU A 45 -3.119 1.030 -4.792 1.00 1.52 C ATOM 667 CG LEU A 45 -3.112 2.071 -5.916 1.00 0.95 C ATOM 668 CD1 LEU A 45 -1.874 2.968 -5.755 1.00 1.41 C ATOM 669 CD2 LEU A 45 -3.106 1.439 -7.314 1.00 2.45 C ATOM 0 H LEU A 45 -4.854 -0.533 -6.461 1.00 0.73 H new ATOM 0 HA LEU A 45 -4.254 -0.281 -3.602 1.00 0.99 H new ATOM 0 HB2 LEU A 45 -2.867 1.541 -3.863 1.00 1.52 H new ATOM 0 HB3 LEU A 45 -2.318 0.319 -4.992 1.00 1.52 H new ATOM 0 HG LEU A 45 -4.031 2.651 -5.833 1.00 0.95 H new ATOM 0 HD11 LEU A 45 -1.859 3.713 -6.550 1.00 1.41 H new ATOM 0 HD12 LEU A 45 -1.912 3.470 -4.788 1.00 1.41 H new ATOM 0 HD13 LEU A 45 -0.973 2.358 -5.812 1.00 1.41 H new ATOM 0 HD21 LEU A 45 -3.101 2.225 -8.069 1.00 2.45 H new ATOM 0 HD22 LEU A 45 -2.216 0.820 -7.430 1.00 2.45 H new ATOM 0 HD23 LEU A 45 -3.996 0.822 -7.438 1.00 2.45 H new ATOM 681 N HIS A 46 -5.879 1.471 -3.145 1.00 0.74 N ATOM 682 CA HIS A 46 -6.976 2.298 -2.681 1.00 0.63 C ATOM 683 C HIS A 46 -6.454 3.514 -1.919 1.00 0.57 C ATOM 684 O HIS A 46 -5.413 3.462 -1.268 1.00 0.69 O ATOM 685 CB HIS A 46 -7.834 1.448 -1.734 1.00 0.65 C ATOM 686 CG HIS A 46 -8.538 0.249 -2.310 1.00 0.66 C ATOM 687 ND1 HIS A 46 -9.110 -0.752 -1.548 1.00 0.67 N ATOM 688 CD2 HIS A 46 -8.682 -0.098 -3.620 1.00 0.67 C ATOM 689 CE1 HIS A 46 -9.577 -1.677 -2.388 1.00 0.70 C ATOM 690 NE2 HIS A 46 -9.351 -1.303 -3.658 1.00 0.70 N ATOM 0 H HIS A 46 -5.293 1.147 -2.376 1.00 0.74 H new ATOM 0 HA HIS A 46 -7.555 2.650 -3.535 1.00 0.63 H new ATOM 0 HB2 HIS A 46 -7.194 1.103 -0.922 1.00 0.65 H new ATOM 0 HB3 HIS A 46 -8.588 2.098 -1.291 1.00 0.65 H new ATOM 0 HD1 HIS A 46 -9.165 -0.779 -0.530 1.00 0.67 H new ATOM 0 HD2 HIS A 46 -8.335 0.467 -4.472 1.00 0.67 H new ATOM 0 HE1 HIS A 46 -10.066 -2.593 -2.090 1.00 0.70 H new ATOM 698 N GLU A 47 -7.258 4.566 -1.930 1.00 0.43 N ATOM 699 CA GLU A 47 -7.266 5.583 -0.882 1.00 0.47 C ATOM 700 C GLU A 47 -8.270 5.199 0.212 1.00 0.53 C ATOM 701 O GLU A 47 -9.230 4.462 -0.046 1.00 0.60 O ATOM 702 CB GLU A 47 -7.572 6.948 -1.512 1.00 0.51 C ATOM 703 CG GLU A 47 -9.063 7.192 -1.762 1.00 0.79 C ATOM 704 CD GLU A 47 -9.355 8.393 -2.659 1.00 0.83 C ATOM 705 OE1 GLU A 47 -8.457 8.910 -3.359 1.00 1.98 O ATOM 706 OE2 GLU A 47 -10.550 8.748 -2.756 1.00 1.75 O ATOM 0 H GLU A 47 -7.933 4.742 -2.675 1.00 0.43 H new ATOM 0 HA GLU A 47 -6.289 5.649 -0.404 1.00 0.47 H new ATOM 0 HB2 GLU A 47 -7.189 7.733 -0.860 1.00 0.51 H new ATOM 0 HB3 GLU A 47 -7.036 7.030 -2.458 1.00 0.51 H new ATOM 0 HG2 GLU A 47 -9.496 6.300 -2.215 1.00 0.79 H new ATOM 0 HG3 GLU A 47 -9.562 7.337 -0.804 1.00 0.79 H new ATOM 713 N THR A 48 -8.060 5.744 1.408 1.00 0.70 N ATOM 714 CA THR A 48 -9.091 5.909 2.438 1.00 0.59 C ATOM 715 C THR A 48 -9.363 7.410 2.489 1.00 0.51 C ATOM 716 O THR A 48 -8.411 8.184 2.389 1.00 0.60 O ATOM 717 CB THR A 48 -8.565 5.431 3.791 1.00 0.65 C ATOM 718 OG1 THR A 48 -8.067 4.120 3.680 1.00 0.96 O ATOM 719 CG2 THR A 48 -9.627 5.446 4.890 1.00 0.67 C ATOM 0 H THR A 48 -7.146 6.093 1.698 1.00 0.70 H new ATOM 0 HA THR A 48 -9.989 5.332 2.214 1.00 0.59 H new ATOM 0 HB THR A 48 -7.778 6.131 4.073 1.00 0.65 H new ATOM 0 HG1 THR A 48 -7.147 4.147 3.343 1.00 0.96 H new ATOM 0 HG21 THR A 48 -9.189 5.096 5.824 1.00 0.67 H new ATOM 0 HG22 THR A 48 -9.999 6.462 5.022 1.00 0.67 H new ATOM 0 HG23 THR A 48 -10.452 4.791 4.608 1.00 0.67 H new ATOM 727 N PHE A 49 -10.622 7.828 2.634 1.00 0.51 N ATOM 728 CA PHE A 49 -11.010 9.239 2.609 1.00 0.59 C ATOM 729 C PHE A 49 -12.012 9.622 3.704 1.00 0.55 C ATOM 730 O PHE A 49 -12.657 8.787 4.343 1.00 0.52 O ATOM 731 CB PHE A 49 -11.518 9.625 1.206 1.00 0.72 C ATOM 732 CG PHE A 49 -12.853 9.030 0.778 1.00 0.64 C ATOM 733 CD1 PHE A 49 -14.040 9.560 1.316 1.00 1.78 C ATOM 734 CD2 PHE A 49 -12.935 7.994 -0.178 1.00 1.89 C ATOM 735 CE1 PHE A 49 -15.292 9.061 0.942 1.00 1.99 C ATOM 736 CE2 PHE A 49 -14.195 7.509 -0.578 1.00 1.78 C ATOM 737 CZ PHE A 49 -15.372 8.046 -0.029 1.00 0.89 C ATOM 0 H PHE A 49 -11.407 7.192 2.773 1.00 0.51 H new ATOM 0 HA PHE A 49 -10.114 9.818 2.832 1.00 0.59 H new ATOM 0 HB2 PHE A 49 -11.598 10.711 1.159 1.00 0.72 H new ATOM 0 HB3 PHE A 49 -10.764 9.329 0.477 1.00 0.72 H new ATOM 0 HD1 PHE A 49 -13.983 10.367 2.031 1.00 1.78 H new ATOM 0 HD2 PHE A 49 -12.034 7.575 -0.601 1.00 1.89 H new ATOM 0 HE1 PHE A 49 -16.191 9.452 1.395 1.00 1.99 H new ATOM 0 HE2 PHE A 49 -14.257 6.719 -1.312 1.00 1.78 H new ATOM 0 HZ PHE A 49 -16.336 7.680 -0.352 1.00 0.89 H new ATOM 747 N MET A 50 -12.186 10.934 3.861 1.00 0.70 N ATOM 748 CA MET A 50 -13.197 11.563 4.716 1.00 0.81 C ATOM 749 C MET A 50 -14.235 12.314 3.872 1.00 0.82 C ATOM 750 O MET A 50 -13.883 12.926 2.863 1.00 0.84 O ATOM 751 CB MET A 50 -12.512 12.534 5.686 1.00 1.03 C ATOM 752 CG MET A 50 -11.589 11.812 6.671 1.00 2.33 C ATOM 753 SD MET A 50 -10.935 12.889 7.969 1.00 2.90 S ATOM 754 CE MET A 50 -9.286 13.209 7.297 1.00 4.71 C ATOM 0 H MET A 50 -11.603 11.617 3.377 1.00 0.70 H new ATOM 0 HA MET A 50 -13.713 10.785 5.278 1.00 0.81 H new ATOM 0 HB2 MET A 50 -11.935 13.265 5.119 1.00 1.03 H new ATOM 0 HB3 MET A 50 -13.271 13.087 6.240 1.00 1.03 H new ATOM 0 HG2 MET A 50 -12.136 10.990 7.133 1.00 2.33 H new ATOM 0 HG3 MET A 50 -10.757 11.372 6.121 1.00 2.33 H new ATOM 0 HE1 MET A 50 -8.737 13.863 7.975 1.00 4.71 H new ATOM 0 HE2 MET A 50 -8.749 12.267 7.187 1.00 4.71 H new ATOM 0 HE3 MET A 50 -9.377 13.690 6.323 1.00 4.71 H new ATOM 764 N ARG A 51 -15.504 12.277 4.290 1.00 0.91 N ATOM 765 CA ARG A 51 -16.599 13.090 3.742 1.00 1.08 C ATOM 766 C ARG A 51 -17.433 13.682 4.880 1.00 1.37 C ATOM 767 O ARG A 51 -17.682 13.011 5.885 1.00 1.30 O ATOM 768 CB ARG A 51 -17.507 12.269 2.809 1.00 1.15 C ATOM 769 CG ARG A 51 -16.916 12.220 1.393 1.00 1.95 C ATOM 770 CD ARG A 51 -17.829 11.494 0.401 1.00 2.15 C ATOM 771 NE ARG A 51 -17.190 11.454 -0.926 1.00 3.56 N ATOM 772 CZ ARG A 51 -17.287 12.382 -1.874 1.00 4.78 C ATOM 773 NH1 ARG A 51 -18.090 13.421 -1.759 1.00 5.07 N ATOM 774 NH2 ARG A 51 -16.561 12.279 -2.967 1.00 6.18 N ATOM 0 H ARG A 51 -15.809 11.661 5.043 1.00 0.91 H new ATOM 0 HA ARG A 51 -16.151 13.893 3.156 1.00 1.08 H new ATOM 0 HB2 ARG A 51 -17.619 11.257 3.198 1.00 1.15 H new ATOM 0 HB3 ARG A 51 -18.503 12.711 2.779 1.00 1.15 H new ATOM 0 HG2 ARG A 51 -16.739 13.236 1.042 1.00 1.95 H new ATOM 0 HG3 ARG A 51 -15.948 11.720 1.424 1.00 1.95 H new ATOM 0 HD2 ARG A 51 -18.028 10.481 0.750 1.00 2.15 H new ATOM 0 HD3 ARG A 51 -18.790 12.004 0.337 1.00 2.15 H new ATOM 0 HE ARG A 51 -16.618 10.636 -1.138 1.00 3.56 H new ATOM 0 HH11 ARG A 51 -18.663 13.533 -0.922 1.00 5.07 H new ATOM 0 HH12 ARG A 51 -18.139 14.113 -2.507 1.00 5.07 H new ATOM 0 HH21 ARG A 51 -15.926 11.489 -3.085 1.00 6.18 H new ATOM 0 HH22 ARG A 51 -16.633 12.989 -3.696 1.00 6.18 H new ATOM 788 N GLU A 52 -17.912 14.910 4.716 1.00 1.77 N ATOM 789 CA GLU A 52 -19.091 15.400 5.390 1.00 1.99 C ATOM 790 C GLU A 52 -20.306 15.121 4.495 1.00 2.22 C ATOM 791 O GLU A 52 -20.199 15.273 3.278 1.00 2.39 O ATOM 792 CB GLU A 52 -18.888 16.906 5.541 1.00 2.33 C ATOM 793 CG GLU A 52 -19.916 17.531 6.464 1.00 2.43 C ATOM 794 CD GLU A 52 -19.481 17.402 7.916 1.00 2.44 C ATOM 795 OE1 GLU A 52 -19.513 16.267 8.425 1.00 2.35 O ATOM 796 OE2 GLU A 52 -19.131 18.406 8.566 1.00 3.39 O ATOM 0 H GLU A 52 -17.479 15.598 4.099 1.00 1.77 H new ATOM 0 HA GLU A 52 -19.252 14.927 6.359 1.00 1.99 H new ATOM 0 HB2 GLU A 52 -17.888 17.099 5.929 1.00 2.33 H new ATOM 0 HB3 GLU A 52 -18.946 17.379 4.561 1.00 2.33 H new ATOM 0 HG2 GLU A 52 -20.048 18.583 6.211 1.00 2.43 H new ATOM 0 HG3 GLU A 52 -20.882 17.045 6.324 1.00 2.43 H new ATOM 803 N VAL A 53 -21.445 14.755 5.082 1.00 2.34 N ATOM 804 CA VAL A 53 -22.767 14.764 4.431 1.00 2.75 C ATOM 805 C VAL A 53 -23.760 15.301 5.465 1.00 2.97 C ATOM 806 O VAL A 53 -23.854 14.733 6.541 1.00 2.96 O ATOM 807 CB VAL A 53 -23.168 13.342 3.950 1.00 2.78 C ATOM 808 CG1 VAL A 53 -24.572 13.334 3.325 1.00 3.44 C ATOM 809 CG2 VAL A 53 -22.179 12.771 2.916 1.00 3.36 C ATOM 0 H VAL A 53 -21.481 14.434 6.050 1.00 2.34 H new ATOM 0 HA VAL A 53 -22.756 15.393 3.541 1.00 2.75 H new ATOM 0 HB VAL A 53 -23.152 12.716 4.842 1.00 2.78 H new ATOM 0 HG11 VAL A 53 -24.820 12.324 3.000 1.00 3.44 H new ATOM 0 HG12 VAL A 53 -25.301 13.666 4.064 1.00 3.44 H new ATOM 0 HG13 VAL A 53 -24.592 14.006 2.467 1.00 3.44 H new ATOM 0 HG21 VAL A 53 -22.504 11.776 2.612 1.00 3.36 H new ATOM 0 HG22 VAL A 53 -22.147 13.424 2.044 1.00 3.36 H new ATOM 0 HG23 VAL A 53 -21.185 12.708 3.359 1.00 3.36 H new ATOM 819 N GLU A 54 -24.429 16.434 5.194 1.00 3.44 N ATOM 820 CA GLU A 54 -25.390 17.105 6.106 1.00 3.79 C ATOM 821 C GLU A 54 -24.755 17.645 7.418 1.00 3.59 C ATOM 822 O GLU A 54 -25.450 17.825 8.415 1.00 3.77 O ATOM 823 CB GLU A 54 -26.582 16.187 6.465 1.00 3.98 C ATOM 824 CG GLU A 54 -27.396 15.591 5.312 1.00 4.26 C ATOM 825 CD GLU A 54 -28.230 14.444 5.882 1.00 4.26 C ATOM 826 OE1 GLU A 54 -29.288 14.713 6.491 1.00 4.92 O ATOM 827 OE2 GLU A 54 -27.722 13.302 5.942 1.00 4.23 O ATOM 0 H GLU A 54 -24.318 16.929 4.309 1.00 3.44 H new ATOM 0 HA GLU A 54 -25.741 17.965 5.536 1.00 3.79 H new ATOM 0 HB2 GLU A 54 -26.200 15.362 7.067 1.00 3.98 H new ATOM 0 HB3 GLU A 54 -27.264 16.755 7.098 1.00 3.98 H new ATOM 0 HG2 GLU A 54 -28.040 16.349 4.866 1.00 4.26 H new ATOM 0 HG3 GLU A 54 -26.736 15.230 4.523 1.00 4.26 H new ATOM 834 N GLY A 55 -23.429 17.847 7.467 1.00 3.28 N ATOM 835 CA GLY A 55 -22.697 18.137 8.721 1.00 3.12 C ATOM 836 C GLY A 55 -22.305 16.877 9.512 1.00 2.61 C ATOM 837 O GLY A 55 -21.754 16.957 10.612 1.00 2.68 O ATOM 0 H GLY A 55 -22.830 17.815 6.642 1.00 3.28 H new ATOM 0 HA2 GLY A 55 -21.795 18.701 8.483 1.00 3.12 H new ATOM 0 HA3 GLY A 55 -23.315 18.775 9.353 1.00 3.12 H new ATOM 841 N LYS A 56 -22.574 15.701 8.940 1.00 2.25 N ATOM 842 CA LYS A 56 -22.319 14.376 9.505 1.00 1.86 C ATOM 843 C LYS A 56 -21.081 13.798 8.809 1.00 1.64 C ATOM 844 O LYS A 56 -21.086 13.505 7.610 1.00 1.75 O ATOM 845 CB LYS A 56 -23.540 13.436 9.347 1.00 2.11 C ATOM 846 CG LYS A 56 -24.912 14.057 9.681 1.00 2.53 C ATOM 847 CD LYS A 56 -26.050 13.157 9.174 1.00 2.93 C ATOM 848 CE LYS A 56 -27.403 13.867 9.304 1.00 3.36 C ATOM 849 NZ LYS A 56 -28.458 13.159 8.538 1.00 3.54 N ATOM 0 H LYS A 56 -23.001 15.646 8.015 1.00 2.25 H new ATOM 0 HA LYS A 56 -22.142 14.465 10.577 1.00 1.86 H new ATOM 0 HB2 LYS A 56 -23.566 13.075 8.319 1.00 2.11 H new ATOM 0 HB3 LYS A 56 -23.390 12.566 9.987 1.00 2.11 H new ATOM 0 HG2 LYS A 56 -25.002 14.195 10.758 1.00 2.53 H new ATOM 0 HG3 LYS A 56 -24.991 15.044 9.226 1.00 2.53 H new ATOM 0 HD2 LYS A 56 -25.872 12.890 8.132 1.00 2.93 H new ATOM 0 HD3 LYS A 56 -26.066 12.227 9.743 1.00 2.93 H new ATOM 0 HE2 LYS A 56 -27.688 13.922 10.355 1.00 3.36 H new ATOM 0 HE3 LYS A 56 -27.315 14.892 8.944 1.00 3.36 H new ATOM 0 HZ1 LYS A 56 -29.133 13.852 8.155 1.00 3.54 H new ATOM 0 HZ2 LYS A 56 -28.023 12.630 7.756 1.00 3.54 H new ATOM 0 HZ3 LYS A 56 -28.959 12.499 9.166 1.00 3.54 H new ATOM 863 N LYS A 57 -19.999 13.675 9.565 1.00 1.47 N ATOM 864 CA LYS A 57 -18.680 13.281 9.090 1.00 1.36 C ATOM 865 C LYS A 57 -18.525 11.757 9.095 1.00 1.30 C ATOM 866 O LYS A 57 -18.633 11.125 10.141 1.00 1.42 O ATOM 867 CB LYS A 57 -17.588 14.068 9.846 1.00 1.52 C ATOM 868 CG LYS A 57 -17.747 14.274 11.372 1.00 1.75 C ATOM 869 CD LYS A 57 -17.022 15.527 11.905 1.00 2.48 C ATOM 870 CE LYS A 57 -17.313 16.864 11.181 1.00 2.96 C ATOM 871 NZ LYS A 57 -18.748 17.118 10.891 1.00 2.77 N ATOM 0 H LYS A 57 -20.017 13.855 10.569 1.00 1.47 H new ATOM 0 HA LYS A 57 -18.556 13.555 8.042 1.00 1.36 H new ATOM 0 HB2 LYS A 57 -16.638 13.561 9.677 1.00 1.52 H new ATOM 0 HB3 LYS A 57 -17.510 15.053 9.385 1.00 1.52 H new ATOM 0 HG2 LYS A 57 -18.808 14.349 11.611 1.00 1.75 H new ATOM 0 HG3 LYS A 57 -17.364 13.395 11.891 1.00 1.75 H new ATOM 0 HD2 LYS A 57 -17.281 15.647 12.957 1.00 2.48 H new ATOM 0 HD3 LYS A 57 -15.949 15.343 11.860 1.00 2.48 H new ATOM 0 HE2 LYS A 57 -16.930 17.682 11.791 1.00 2.96 H new ATOM 0 HE3 LYS A 57 -16.759 16.880 10.242 1.00 2.96 H new ATOM 0 HZ1 LYS A 57 -18.838 17.972 10.304 1.00 2.77 H new ATOM 0 HZ2 LYS A 57 -19.149 16.304 10.382 1.00 2.77 H new ATOM 0 HZ3 LYS A 57 -19.263 17.256 11.784 1.00 2.77 H new ATOM 885 N VAL A 58 -18.317 11.190 7.908 1.00 1.19 N ATOM 886 CA VAL A 58 -18.335 9.749 7.614 1.00 1.22 C ATOM 887 C VAL A 58 -17.294 9.439 6.538 1.00 1.15 C ATOM 888 O VAL A 58 -17.089 10.209 5.602 1.00 1.33 O ATOM 889 CB VAL A 58 -19.743 9.274 7.158 1.00 1.39 C ATOM 890 CG1 VAL A 58 -19.782 7.759 6.892 1.00 1.63 C ATOM 891 CG2 VAL A 58 -20.841 9.605 8.187 1.00 2.55 C ATOM 0 H VAL A 58 -18.120 11.749 7.078 1.00 1.19 H new ATOM 0 HA VAL A 58 -18.091 9.208 8.528 1.00 1.22 H new ATOM 0 HB VAL A 58 -19.940 9.818 6.234 1.00 1.39 H new ATOM 0 HG11 VAL A 58 -20.785 7.471 6.576 1.00 1.63 H new ATOM 0 HG12 VAL A 58 -19.068 7.509 6.107 1.00 1.63 H new ATOM 0 HG13 VAL A 58 -19.521 7.223 7.804 1.00 1.63 H new ATOM 0 HG21 VAL A 58 -21.804 9.251 7.818 1.00 2.55 H new ATOM 0 HG22 VAL A 58 -20.613 9.115 9.133 1.00 2.55 H new ATOM 0 HG23 VAL A 58 -20.884 10.684 8.338 1.00 2.55 H new ATOM 901 N MET A 59 -16.602 8.318 6.714 1.00 1.01 N ATOM 902 CA MET A 59 -15.426 7.929 5.935 1.00 0.83 C ATOM 903 C MET A 59 -15.747 6.895 4.855 1.00 0.66 C ATOM 904 O MET A 59 -16.816 6.290 4.840 1.00 0.74 O ATOM 905 CB MET A 59 -14.338 7.406 6.881 1.00 0.96 C ATOM 906 CG MET A 59 -13.750 8.527 7.752 1.00 1.14 C ATOM 907 SD MET A 59 -14.771 9.186 9.100 1.00 3.11 S ATOM 908 CE MET A 59 -13.688 10.530 9.646 1.00 3.58 C ATOM 0 H MET A 59 -16.851 7.631 7.426 1.00 1.01 H new ATOM 0 HA MET A 59 -15.067 8.816 5.412 1.00 0.83 H new ATOM 0 HB2 MET A 59 -14.756 6.630 7.522 1.00 0.96 H new ATOM 0 HB3 MET A 59 -13.542 6.943 6.298 1.00 0.96 H new ATOM 0 HG2 MET A 59 -12.821 8.159 8.187 1.00 1.14 H new ATOM 0 HG3 MET A 59 -13.488 9.357 7.096 1.00 1.14 H new ATOM 0 HE1 MET A 59 -14.073 10.953 10.574 1.00 3.58 H new ATOM 0 HE2 MET A 59 -12.683 10.142 9.814 1.00 3.58 H new ATOM 0 HE3 MET A 59 -13.655 11.305 8.880 1.00 3.58 H new ATOM 918 N GLY A 60 -14.795 6.700 3.944 1.00 0.55 N ATOM 919 CA GLY A 60 -14.903 5.774 2.825 1.00 0.59 C ATOM 920 C GLY A 60 -13.550 5.311 2.297 1.00 0.53 C ATOM 921 O GLY A 60 -12.502 5.670 2.825 1.00 0.50 O ATOM 0 H GLY A 60 -13.904 7.197 3.967 1.00 0.55 H new ATOM 0 HA2 GLY A 60 -15.482 4.904 3.136 1.00 0.59 H new ATOM 0 HA3 GLY A 60 -15.457 6.253 2.017 1.00 0.59 H new ATOM 925 N MET A 61 -13.579 4.495 1.247 1.00 0.58 N ATOM 926 CA MET A 61 -12.412 3.903 0.595 1.00 0.58 C ATOM 927 C MET A 61 -12.751 3.636 -0.872 1.00 0.64 C ATOM 928 O MET A 61 -13.875 3.237 -1.175 1.00 0.77 O ATOM 929 CB MET A 61 -12.087 2.602 1.339 1.00 0.70 C ATOM 930 CG MET A 61 -11.022 1.728 0.675 1.00 0.67 C ATOM 931 SD MET A 61 -11.016 -0.030 1.156 1.00 0.67 S ATOM 932 CE MET A 61 -11.371 0.037 2.929 1.00 1.29 C ATOM 0 H MET A 61 -14.456 4.215 0.807 1.00 0.58 H new ATOM 0 HA MET A 61 -11.547 4.565 0.625 1.00 0.58 H new ATOM 0 HB2 MET A 61 -11.755 2.850 2.347 1.00 0.70 H new ATOM 0 HB3 MET A 61 -13.003 2.020 1.439 1.00 0.70 H new ATOM 0 HG2 MET A 61 -11.153 1.788 -0.405 1.00 0.67 H new ATOM 0 HG3 MET A 61 -10.042 2.149 0.901 1.00 0.67 H new ATOM 0 HE1 MET A 61 -11.271 -0.960 3.358 1.00 1.29 H new ATOM 0 HE2 MET A 61 -10.669 0.714 3.415 1.00 1.29 H new ATOM 0 HE3 MET A 61 -12.388 0.398 3.083 1.00 1.29 H new ATOM 942 N ARG A 62 -11.786 3.822 -1.778 1.00 0.61 N ATOM 943 CA ARG A 62 -11.984 3.643 -3.230 1.00 0.69 C ATOM 944 C ARG A 62 -10.644 3.508 -3.986 1.00 0.46 C ATOM 945 O ARG A 62 -9.631 4.004 -3.484 1.00 0.37 O ATOM 946 CB ARG A 62 -12.925 4.755 -3.772 1.00 1.07 C ATOM 947 CG ARG A 62 -12.314 6.157 -3.865 1.00 1.14 C ATOM 948 CD ARG A 62 -11.743 6.448 -5.254 1.00 2.28 C ATOM 949 NE ARG A 62 -10.945 7.674 -5.237 1.00 3.00 N ATOM 950 CZ ARG A 62 -10.141 8.154 -6.169 1.00 4.15 C ATOM 951 NH1 ARG A 62 -9.980 7.562 -7.337 1.00 4.94 N ATOM 952 NH2 ARG A 62 -9.452 9.234 -5.887 1.00 4.84 N ATOM 0 H ARG A 62 -10.838 4.103 -1.529 1.00 0.61 H new ATOM 0 HA ARG A 62 -12.486 2.693 -3.414 1.00 0.69 H new ATOM 0 HB2 ARG A 62 -13.269 4.462 -4.764 1.00 1.07 H new ATOM 0 HB3 ARG A 62 -13.805 4.804 -3.131 1.00 1.07 H new ATOM 0 HG2 ARG A 62 -13.075 6.900 -3.624 1.00 1.14 H new ATOM 0 HG3 ARG A 62 -11.524 6.257 -3.121 1.00 1.14 H new ATOM 0 HD2 ARG A 62 -11.127 5.611 -5.582 1.00 2.28 H new ATOM 0 HD3 ARG A 62 -12.556 6.547 -5.974 1.00 2.28 H new ATOM 0 HE ARG A 62 -11.020 8.236 -4.389 1.00 3.00 H new ATOM 0 HH11 ARG A 62 -10.486 6.702 -7.547 1.00 4.94 H new ATOM 0 HH12 ARG A 62 -9.350 7.965 -8.030 1.00 4.94 H new ATOM 0 HH21 ARG A 62 -9.547 9.675 -4.972 1.00 4.84 H new ATOM 0 HH22 ARG A 62 -8.821 9.633 -6.582 1.00 4.84 H new ATOM 966 N PRO A 63 -10.594 2.836 -5.156 1.00 0.51 N ATOM 967 CA PRO A 63 -9.341 2.568 -5.858 1.00 0.53 C ATOM 968 C PRO A 63 -8.770 3.805 -6.544 1.00 0.53 C ATOM 969 O PRO A 63 -9.530 4.646 -7.027 1.00 0.58 O ATOM 970 CB PRO A 63 -9.645 1.446 -6.848 1.00 0.59 C ATOM 971 CG PRO A 63 -11.122 1.669 -7.170 1.00 0.67 C ATOM 972 CD PRO A 63 -11.690 2.156 -5.834 1.00 0.65 C ATOM 0 HA PRO A 63 -8.563 2.272 -5.154 1.00 0.53 H new ATOM 0 HB2 PRO A 63 -9.022 1.514 -7.740 1.00 0.59 H new ATOM 0 HB3 PRO A 63 -9.470 0.463 -6.411 1.00 0.59 H new ATOM 0 HG2 PRO A 63 -11.257 2.408 -7.960 1.00 0.67 H new ATOM 0 HG3 PRO A 63 -11.606 0.752 -7.505 1.00 0.67 H new ATOM 0 HD2 PRO A 63 -12.531 2.831 -5.991 1.00 0.65 H new ATOM 0 HD3 PRO A 63 -12.059 1.321 -5.239 1.00 0.65 H new ATOM 980 N VAL A 64 -7.433 3.900 -6.591 1.00 0.60 N ATOM 981 CA VAL A 64 -6.726 5.022 -7.244 1.00 0.58 C ATOM 982 C VAL A 64 -5.776 4.509 -8.339 1.00 0.55 C ATOM 983 O VAL A 64 -5.386 3.345 -8.275 1.00 0.56 O ATOM 984 CB VAL A 64 -5.996 5.911 -6.210 1.00 0.59 C ATOM 985 CG1 VAL A 64 -7.025 6.509 -5.248 1.00 0.83 C ATOM 986 CG2 VAL A 64 -4.884 5.220 -5.416 1.00 0.69 C ATOM 0 H VAL A 64 -6.809 3.206 -6.180 1.00 0.60 H new ATOM 0 HA VAL A 64 -7.471 5.653 -7.729 1.00 0.58 H new ATOM 0 HB VAL A 64 -5.489 6.682 -6.791 1.00 0.59 H new ATOM 0 HG11 VAL A 64 -6.517 7.137 -4.516 1.00 0.83 H new ATOM 0 HG12 VAL A 64 -7.740 7.111 -5.808 1.00 0.83 H new ATOM 0 HG13 VAL A 64 -7.552 5.706 -4.733 1.00 0.83 H new ATOM 0 HG21 VAL A 64 -4.438 5.931 -4.720 1.00 0.69 H new ATOM 0 HG22 VAL A 64 -5.302 4.381 -4.860 1.00 0.69 H new ATOM 0 HG23 VAL A 64 -4.119 4.856 -6.102 1.00 0.69 H new ATOM 996 N PRO A 65 -5.433 5.325 -9.361 1.00 0.56 N ATOM 997 CA PRO A 65 -4.694 4.867 -10.535 1.00 0.56 C ATOM 998 C PRO A 65 -3.191 4.759 -10.286 1.00 0.54 C ATOM 999 O PRO A 65 -2.536 3.993 -10.983 1.00 0.52 O ATOM 1000 CB PRO A 65 -5.018 5.885 -11.631 1.00 0.60 C ATOM 1001 CG PRO A 65 -5.191 7.187 -10.853 1.00 0.60 C ATOM 1002 CD PRO A 65 -5.813 6.724 -9.537 1.00 0.59 C ATOM 0 HA PRO A 65 -4.991 3.856 -10.814 1.00 0.56 H new ATOM 0 HB2 PRO A 65 -4.215 5.957 -12.364 1.00 0.60 H new ATOM 0 HB3 PRO A 65 -5.924 5.617 -12.175 1.00 0.60 H new ATOM 0 HG2 PRO A 65 -4.238 7.691 -10.693 1.00 0.60 H new ATOM 0 HG3 PRO A 65 -5.838 7.889 -11.380 1.00 0.60 H new ATOM 0 HD2 PRO A 65 -5.454 7.330 -8.705 1.00 0.59 H new ATOM 0 HD3 PRO A 65 -6.898 6.830 -9.563 1.00 0.59 H new ATOM 1010 N PHE A 66 -2.660 5.500 -9.305 1.00 0.55 N ATOM 1011 CA PHE A 66 -1.244 5.548 -8.929 1.00 0.53 C ATOM 1012 C PHE A 66 -1.021 6.483 -7.729 1.00 0.56 C ATOM 1013 O PHE A 66 -1.882 7.302 -7.400 1.00 0.62 O ATOM 1014 CB PHE A 66 -0.363 5.988 -10.118 1.00 0.52 C ATOM 1015 CG PHE A 66 -0.621 7.394 -10.590 1.00 0.56 C ATOM 1016 CD1 PHE A 66 0.047 8.461 -9.970 1.00 1.96 C ATOM 1017 CD2 PHE A 66 -1.547 7.638 -11.615 1.00 1.98 C ATOM 1018 CE1 PHE A 66 -0.219 9.782 -10.345 1.00 2.02 C ATOM 1019 CE2 PHE A 66 -1.802 8.965 -12.017 1.00 1.95 C ATOM 1020 CZ PHE A 66 -1.140 10.035 -11.382 1.00 0.63 C ATOM 0 H PHE A 66 -3.235 6.111 -8.725 1.00 0.55 H new ATOM 0 HA PHE A 66 -0.950 4.539 -8.640 1.00 0.53 H new ATOM 0 HB2 PHE A 66 0.685 5.899 -9.832 1.00 0.52 H new ATOM 0 HB3 PHE A 66 -0.525 5.302 -10.949 1.00 0.52 H new ATOM 0 HD1 PHE A 66 0.773 8.260 -9.196 1.00 1.96 H new ATOM 0 HD2 PHE A 66 -2.060 6.816 -12.092 1.00 1.98 H new ATOM 0 HE1 PHE A 66 0.277 10.601 -9.845 1.00 2.02 H new ATOM 0 HE2 PHE A 66 -2.505 9.162 -12.812 1.00 1.95 H new ATOM 0 HZ PHE A 66 -1.339 11.051 -11.690 1.00 0.63 H new ATOM 1030 N LEU A 67 0.178 6.402 -7.140 1.00 0.53 N ATOM 1031 CA LEU A 67 0.759 7.385 -6.221 1.00 0.59 C ATOM 1032 C LEU A 67 2.005 8.016 -6.850 1.00 0.62 C ATOM 1033 O LEU A 67 2.673 7.391 -7.670 1.00 0.61 O ATOM 1034 CB LEU A 67 1.169 6.721 -4.891 1.00 0.63 C ATOM 1035 CG LEU A 67 0.131 5.801 -4.228 1.00 0.66 C ATOM 1036 CD1 LEU A 67 0.691 5.339 -2.882 1.00 0.77 C ATOM 1037 CD2 LEU A 67 -1.211 6.489 -3.996 1.00 0.69 C ATOM 0 H LEU A 67 0.799 5.609 -7.300 1.00 0.53 H new ATOM 0 HA LEU A 67 0.004 8.147 -6.027 1.00 0.59 H new ATOM 0 HB2 LEU A 67 2.075 6.141 -5.066 1.00 0.63 H new ATOM 0 HB3 LEU A 67 1.427 7.509 -4.183 1.00 0.63 H new ATOM 0 HG LEU A 67 -0.050 4.963 -4.902 1.00 0.66 H new ATOM 0 HD11 LEU A 67 -0.030 4.684 -2.393 1.00 0.77 H new ATOM 0 HD12 LEU A 67 1.623 4.797 -3.042 1.00 0.77 H new ATOM 0 HD13 LEU A 67 0.880 6.206 -2.250 1.00 0.77 H new ATOM 0 HD21 LEU A 67 -1.902 5.789 -3.526 1.00 0.69 H new ATOM 0 HD22 LEU A 67 -1.070 7.352 -3.346 1.00 0.69 H new ATOM 0 HD23 LEU A 67 -1.621 6.818 -4.951 1.00 0.69 H new ATOM 1049 N GLU A 68 2.344 9.226 -6.420 1.00 0.69 N ATOM 1050 CA GLU A 68 3.494 10.012 -6.902 1.00 0.70 C ATOM 1051 C GLU A 68 4.508 10.235 -5.768 1.00 0.78 C ATOM 1052 O GLU A 68 4.087 10.449 -4.634 1.00 0.91 O ATOM 1053 CB GLU A 68 2.972 11.383 -7.374 1.00 0.86 C ATOM 1054 CG GLU A 68 4.009 12.233 -8.120 1.00 0.86 C ATOM 1055 CD GLU A 68 4.011 11.897 -9.613 1.00 0.99 C ATOM 1056 OE1 GLU A 68 4.350 10.754 -9.982 1.00 2.23 O ATOM 1057 OE2 GLU A 68 3.594 12.755 -10.418 1.00 1.82 O ATOM 0 H GLU A 68 1.811 9.712 -5.699 1.00 0.69 H new ATOM 0 HA GLU A 68 3.986 9.475 -7.713 1.00 0.70 H new ATOM 0 HB2 GLU A 68 2.112 11.226 -8.025 1.00 0.86 H new ATOM 0 HB3 GLU A 68 2.618 11.941 -6.507 1.00 0.86 H new ATOM 0 HG2 GLU A 68 3.787 13.291 -7.981 1.00 0.86 H new ATOM 0 HG3 GLU A 68 5.000 12.057 -7.701 1.00 0.86 H new ATOM 1064 N VAL A 69 5.820 10.272 -6.067 1.00 0.76 N ATOM 1065 CA VAL A 69 6.841 10.827 -5.153 1.00 0.78 C ATOM 1066 C VAL A 69 7.953 11.601 -5.903 1.00 0.79 C ATOM 1067 O VAL A 69 8.586 11.038 -6.802 1.00 0.82 O ATOM 1068 CB VAL A 69 7.477 9.741 -4.235 1.00 0.81 C ATOM 1069 CG1 VAL A 69 8.505 10.311 -3.237 1.00 0.91 C ATOM 1070 CG2 VAL A 69 6.435 8.987 -3.399 1.00 0.92 C ATOM 0 H VAL A 69 6.203 9.920 -6.945 1.00 0.76 H new ATOM 0 HA VAL A 69 6.304 11.533 -4.520 1.00 0.78 H new ATOM 0 HB VAL A 69 7.968 9.069 -4.939 1.00 0.81 H new ATOM 0 HG11 VAL A 69 8.909 9.502 -2.629 1.00 0.91 H new ATOM 0 HG12 VAL A 69 9.315 10.793 -3.784 1.00 0.91 H new ATOM 0 HG13 VAL A 69 8.018 11.042 -2.591 1.00 0.91 H new ATOM 0 HG21 VAL A 69 6.935 8.243 -2.779 1.00 0.92 H new ATOM 0 HG22 VAL A 69 5.901 9.692 -2.761 1.00 0.92 H new ATOM 0 HG23 VAL A 69 5.727 8.490 -4.062 1.00 0.92 H new ATOM 1080 N PRO A 70 8.242 12.871 -5.534 1.00 0.84 N ATOM 1081 CA PRO A 70 9.279 13.694 -6.164 1.00 0.92 C ATOM 1082 C PRO A 70 10.702 13.235 -5.788 1.00 0.90 C ATOM 1083 O PRO A 70 10.854 12.470 -4.833 1.00 0.91 O ATOM 1084 CB PRO A 70 9.003 15.123 -5.672 1.00 1.02 C ATOM 1085 CG PRO A 70 8.403 14.902 -4.286 1.00 0.99 C ATOM 1086 CD PRO A 70 7.578 13.636 -4.485 1.00 0.90 C ATOM 0 HA PRO A 70 9.240 13.616 -7.251 1.00 0.92 H new ATOM 0 HB2 PRO A 70 9.916 15.717 -5.626 1.00 1.02 H new ATOM 0 HB3 PRO A 70 8.313 15.650 -6.331 1.00 1.02 H new ATOM 0 HG2 PRO A 70 9.173 14.770 -3.526 1.00 0.99 H new ATOM 0 HG3 PRO A 70 7.786 15.744 -3.971 1.00 0.99 H new ATOM 0 HD2 PRO A 70 7.522 13.060 -3.561 1.00 0.90 H new ATOM 0 HD3 PRO A 70 6.555 13.880 -4.771 1.00 0.90 H new ATOM 1094 N PRO A 71 11.752 13.688 -6.500 1.00 0.93 N ATOM 1095 CA PRO A 71 13.141 13.370 -6.174 1.00 0.90 C ATOM 1096 C PRO A 71 13.523 13.827 -4.770 1.00 0.95 C ATOM 1097 O PRO A 71 13.133 14.909 -4.337 1.00 1.07 O ATOM 1098 CB PRO A 71 13.989 14.012 -7.267 1.00 0.96 C ATOM 1099 CG PRO A 71 13.104 15.110 -7.849 1.00 1.02 C ATOM 1100 CD PRO A 71 11.698 14.547 -7.676 1.00 1.00 C ATOM 0 HA PRO A 71 13.306 12.293 -6.152 1.00 0.90 H new ATOM 0 HB2 PRO A 71 14.914 14.422 -6.861 1.00 0.96 H new ATOM 0 HB3 PRO A 71 14.270 13.285 -8.029 1.00 0.96 H new ATOM 0 HG2 PRO A 71 13.229 16.053 -7.317 1.00 1.02 H new ATOM 0 HG3 PRO A 71 13.336 15.302 -8.897 1.00 1.02 H new ATOM 0 HD2 PRO A 71 10.971 15.348 -7.541 1.00 1.00 H new ATOM 0 HD3 PRO A 71 11.392 13.983 -8.557 1.00 1.00 H new ATOM 1108 N LYS A 72 14.260 12.966 -4.049 1.00 0.93 N ATOM 1109 CA LYS A 72 14.762 13.179 -2.677 1.00 1.05 C ATOM 1110 C LYS A 72 13.663 13.226 -1.597 1.00 1.14 C ATOM 1111 O LYS A 72 13.958 13.416 -0.418 1.00 1.35 O ATOM 1112 CB LYS A 72 15.676 14.419 -2.615 1.00 1.20 C ATOM 1113 CG LYS A 72 16.669 14.538 -3.779 1.00 1.45 C ATOM 1114 CD LYS A 72 17.643 13.356 -3.907 1.00 1.13 C ATOM 1115 CE LYS A 72 18.422 13.504 -5.218 1.00 1.64 C ATOM 1116 NZ LYS A 72 19.351 12.378 -5.462 1.00 1.68 N ATOM 0 H LYS A 72 14.536 12.058 -4.423 1.00 0.93 H new ATOM 0 HA LYS A 72 15.351 12.294 -2.436 1.00 1.05 H new ATOM 0 HB2 LYS A 72 15.053 15.313 -2.593 1.00 1.20 H new ATOM 0 HB3 LYS A 72 16.234 14.397 -1.679 1.00 1.20 H new ATOM 0 HG2 LYS A 72 16.109 14.634 -4.709 1.00 1.45 H new ATOM 0 HG3 LYS A 72 17.245 15.456 -3.657 1.00 1.45 H new ATOM 0 HD2 LYS A 72 18.328 13.337 -3.060 1.00 1.13 H new ATOM 0 HD3 LYS A 72 17.097 12.413 -3.896 1.00 1.13 H new ATOM 0 HE2 LYS A 72 17.719 13.575 -6.048 1.00 1.64 H new ATOM 0 HE3 LYS A 72 18.986 14.437 -5.197 1.00 1.64 H new ATOM 0 HZ1 LYS A 72 19.231 12.034 -6.436 1.00 1.68 H new ATOM 0 HZ2 LYS A 72 20.330 12.701 -5.327 1.00 1.68 H new ATOM 0 HZ3 LYS A 72 19.145 11.607 -4.795 1.00 1.68 H new ATOM 1130 N GLY A 73 12.401 13.049 -1.993 1.00 1.09 N ATOM 1131 CA GLY A 73 11.217 13.016 -1.120 1.00 1.19 C ATOM 1132 C GLY A 73 10.816 11.600 -0.691 1.00 1.10 C ATOM 1133 O GLY A 73 11.261 10.618 -1.289 1.00 1.03 O ATOM 0 H GLY A 73 12.161 12.918 -2.976 1.00 1.09 H new ATOM 0 HA2 GLY A 73 11.414 13.615 -0.231 1.00 1.19 H new ATOM 0 HA3 GLY A 73 10.379 13.481 -1.639 1.00 1.19 H new ATOM 1137 N ARG A 74 9.918 11.508 0.303 1.00 1.22 N ATOM 1138 CA ARG A 74 9.239 10.266 0.702 1.00 1.16 C ATOM 1139 C ARG A 74 7.747 10.493 0.970 1.00 1.34 C ATOM 1140 O ARG A 74 7.349 11.596 1.336 1.00 1.73 O ATOM 1141 CB ARG A 74 9.942 9.594 1.910 1.00 1.48 C ATOM 1142 CG ARG A 74 9.366 9.902 3.311 1.00 1.49 C ATOM 1143 CD ARG A 74 10.093 9.160 4.430 1.00 1.54 C ATOM 1144 NE ARG A 74 11.499 9.567 4.529 1.00 2.80 N ATOM 1145 CZ ARG A 74 11.986 10.693 5.021 1.00 3.96 C ATOM 1146 NH1 ARG A 74 11.247 11.521 5.737 1.00 4.32 N ATOM 1147 NH2 ARG A 74 13.232 10.992 4.753 1.00 5.65 N ATOM 0 H ARG A 74 9.638 12.313 0.863 1.00 1.22 H new ATOM 0 HA ARG A 74 9.311 9.577 -0.139 1.00 1.16 H new ATOM 0 HB2 ARG A 74 9.915 8.515 1.761 1.00 1.48 H new ATOM 0 HB3 ARG A 74 10.991 9.891 1.901 1.00 1.48 H new ATOM 0 HG2 ARG A 74 9.426 10.975 3.495 1.00 1.49 H new ATOM 0 HG3 ARG A 74 8.310 9.634 3.331 1.00 1.49 H new ATOM 0 HD2 ARG A 74 9.591 9.351 5.379 1.00 1.54 H new ATOM 0 HD3 ARG A 74 10.037 8.086 4.251 1.00 1.54 H new ATOM 0 HE ARG A 74 12.184 8.900 4.175 1.00 2.80 H new ATOM 0 HH11 ARG A 74 10.269 11.299 5.925 1.00 4.32 H new ATOM 0 HH12 ARG A 74 11.654 12.382 6.102 1.00 4.32 H new ATOM 0 HH21 ARG A 74 13.795 10.364 4.180 1.00 5.65 H new ATOM 0 HH22 ARG A 74 13.639 11.853 5.117 1.00 5.65 H new ATOM 1161 N VAL A 75 6.956 9.426 0.853 1.00 1.38 N ATOM 1162 CA VAL A 75 5.537 9.325 1.255 1.00 1.95 C ATOM 1163 C VAL A 75 5.276 7.893 1.726 1.00 1.49 C ATOM 1164 O VAL A 75 5.603 6.960 0.998 1.00 1.42 O ATOM 1165 CB VAL A 75 4.572 9.615 0.074 1.00 2.79 C ATOM 1166 CG1 VAL A 75 3.094 9.450 0.482 1.00 3.47 C ATOM 1167 CG2 VAL A 75 4.748 11.035 -0.495 1.00 3.35 C ATOM 0 H VAL A 75 7.301 8.554 0.453 1.00 1.38 H new ATOM 0 HA VAL A 75 5.356 10.061 2.038 1.00 1.95 H new ATOM 0 HB VAL A 75 4.831 8.883 -0.690 1.00 2.79 H new ATOM 0 HG11 VAL A 75 2.454 9.662 -0.375 1.00 3.47 H new ATOM 0 HG12 VAL A 75 2.922 8.428 0.819 1.00 3.47 H new ATOM 0 HG13 VAL A 75 2.860 10.143 1.290 1.00 3.47 H new ATOM 0 HG21 VAL A 75 4.050 11.186 -1.318 1.00 3.35 H new ATOM 0 HG22 VAL A 75 4.550 11.768 0.288 1.00 3.35 H new ATOM 0 HG23 VAL A 75 5.769 11.158 -0.858 1.00 3.35 H new ATOM 1177 N GLU A 76 4.658 7.684 2.889 1.00 1.42 N ATOM 1178 CA GLU A 76 4.091 6.374 3.239 1.00 1.02 C ATOM 1179 C GLU A 76 2.601 6.311 2.924 1.00 0.97 C ATOM 1180 O GLU A 76 1.856 7.260 3.175 1.00 1.26 O ATOM 1181 CB GLU A 76 4.368 5.905 4.684 1.00 1.30 C ATOM 1182 CG GLU A 76 5.177 6.863 5.561 1.00 1.69 C ATOM 1183 CD GLU A 76 4.252 7.996 5.965 1.00 1.98 C ATOM 1184 OE1 GLU A 76 3.308 7.748 6.752 1.00 3.12 O ATOM 1185 OE2 GLU A 76 4.271 9.048 5.288 1.00 2.49 O ATOM 0 H GLU A 76 4.536 8.400 3.605 1.00 1.42 H new ATOM 0 HA GLU A 76 4.625 5.667 2.604 1.00 1.02 H new ATOM 0 HB2 GLU A 76 3.412 5.718 5.173 1.00 1.30 H new ATOM 0 HB3 GLU A 76 4.896 4.952 4.640 1.00 1.30 H new ATOM 0 HG2 GLU A 76 5.560 6.347 6.442 1.00 1.69 H new ATOM 0 HG3 GLU A 76 6.040 7.247 5.016 1.00 1.69 H new ATOM 1192 N LEU A 77 2.196 5.145 2.415 1.00 0.69 N ATOM 1193 CA LEU A 77 0.827 4.791 2.040 1.00 0.66 C ATOM 1194 C LEU A 77 -0.202 5.300 3.068 1.00 1.25 C ATOM 1195 O LEU A 77 -1.085 6.061 2.683 1.00 3.06 O ATOM 1196 CB LEU A 77 0.801 3.263 1.800 1.00 0.69 C ATOM 1197 CG LEU A 77 0.817 2.867 0.306 1.00 0.88 C ATOM 1198 CD1 LEU A 77 2.073 3.342 -0.442 1.00 0.67 C ATOM 1199 CD2 LEU A 77 0.749 1.342 0.167 1.00 1.56 C ATOM 0 H LEU A 77 2.851 4.382 2.245 1.00 0.69 H new ATOM 0 HA LEU A 77 0.526 5.289 1.119 1.00 0.66 H new ATOM 0 HB2 LEU A 77 1.661 2.812 2.295 1.00 0.69 H new ATOM 0 HB3 LEU A 77 -0.091 2.846 2.267 1.00 0.69 H new ATOM 0 HG LEU A 77 -0.051 3.356 -0.137 1.00 0.88 H new ATOM 0 HD11 LEU A 77 2.016 3.029 -1.484 1.00 0.67 H new ATOM 0 HD12 LEU A 77 2.137 4.429 -0.393 1.00 0.67 H new ATOM 0 HD13 LEU A 77 2.958 2.905 0.020 1.00 0.67 H new ATOM 0 HD21 LEU A 77 0.761 1.072 -0.889 1.00 1.56 H new ATOM 0 HD22 LEU A 77 1.607 0.893 0.666 1.00 1.56 H new ATOM 0 HD23 LEU A 77 -0.170 0.976 0.625 1.00 1.56 H new ATOM 1211 N LYS A 78 -0.001 4.983 4.357 1.00 1.00 N ATOM 1212 CA LYS A 78 -0.623 5.577 5.561 1.00 0.97 C ATOM 1213 C LYS A 78 -1.710 4.640 6.152 1.00 0.94 C ATOM 1214 O LYS A 78 -2.654 4.278 5.444 1.00 1.09 O ATOM 1215 CB LYS A 78 -1.196 6.992 5.294 1.00 1.33 C ATOM 1216 CG LYS A 78 -1.406 7.902 6.505 1.00 1.72 C ATOM 1217 CD LYS A 78 -0.120 8.585 7.013 1.00 2.73 C ATOM 1218 CE LYS A 78 0.458 9.646 6.051 1.00 2.04 C ATOM 1219 NZ LYS A 78 1.541 9.124 5.184 1.00 2.59 N ATOM 0 H LYS A 78 0.655 4.244 4.610 1.00 1.00 H new ATOM 0 HA LYS A 78 0.170 5.690 6.300 1.00 0.97 H new ATOM 0 HB2 LYS A 78 -0.527 7.502 4.601 1.00 1.33 H new ATOM 0 HB3 LYS A 78 -2.154 6.878 4.787 1.00 1.33 H new ATOM 0 HG2 LYS A 78 -2.134 8.671 6.246 1.00 1.72 H new ATOM 0 HG3 LYS A 78 -1.837 7.315 7.316 1.00 1.72 H new ATOM 0 HD2 LYS A 78 -0.328 9.057 7.973 1.00 2.73 H new ATOM 0 HD3 LYS A 78 0.637 7.821 7.191 1.00 2.73 H new ATOM 0 HE2 LYS A 78 -0.345 10.033 5.424 1.00 2.04 H new ATOM 0 HE3 LYS A 78 0.841 10.484 6.633 1.00 2.04 H new ATOM 0 HZ1 LYS A 78 2.232 9.879 4.999 1.00 2.59 H new ATOM 0 HZ2 LYS A 78 2.015 8.330 5.660 1.00 2.59 H new ATOM 0 HZ3 LYS A 78 1.137 8.796 4.283 1.00 2.59 H new ATOM 1233 N PRO A 79 -1.673 4.304 7.462 1.00 1.14 N ATOM 1234 CA PRO A 79 -2.642 3.391 8.088 1.00 1.42 C ATOM 1235 C PRO A 79 -4.086 3.920 8.143 1.00 1.46 C ATOM 1236 O PRO A 79 -4.990 3.143 8.454 1.00 2.50 O ATOM 1237 CB PRO A 79 -2.101 3.119 9.495 1.00 1.76 C ATOM 1238 CG PRO A 79 -1.265 4.357 9.807 1.00 1.67 C ATOM 1239 CD PRO A 79 -0.678 4.720 8.444 1.00 1.44 C ATOM 0 HA PRO A 79 -2.726 2.489 7.482 1.00 1.42 H new ATOM 0 HB2 PRO A 79 -2.908 2.989 10.216 1.00 1.76 H new ATOM 0 HB3 PRO A 79 -1.498 2.211 9.524 1.00 1.76 H new ATOM 0 HG2 PRO A 79 -1.874 5.165 10.213 1.00 1.67 H new ATOM 0 HG3 PRO A 79 -0.486 4.145 10.540 1.00 1.67 H new ATOM 0 HD2 PRO A 79 -0.483 5.790 8.374 1.00 1.44 H new ATOM 0 HD3 PRO A 79 0.272 4.211 8.279 1.00 1.44 H new ATOM 1247 N GLY A 80 -4.303 5.209 7.848 1.00 0.89 N ATOM 1248 CA GLY A 80 -5.622 5.822 7.668 1.00 1.04 C ATOM 1249 C GLY A 80 -5.828 6.448 6.285 1.00 1.13 C ATOM 1250 O GLY A 80 -6.662 7.338 6.169 1.00 1.83 O ATOM 0 H GLY A 80 -3.539 5.874 7.725 1.00 0.89 H new ATOM 0 HA2 GLY A 80 -6.390 5.066 7.832 1.00 1.04 H new ATOM 0 HA3 GLY A 80 -5.763 6.590 8.429 1.00 1.04 H new ATOM 1254 N GLY A 81 -5.045 6.058 5.266 1.00 0.89 N ATOM 1255 CA GLY A 81 -5.082 6.657 3.923 1.00 0.89 C ATOM 1256 C GLY A 81 -4.838 5.648 2.805 1.00 1.00 C ATOM 1257 O GLY A 81 -5.608 4.697 2.656 1.00 1.81 O ATOM 0 H GLY A 81 -4.360 5.308 5.354 1.00 0.89 H new ATOM 0 HA2 GLY A 81 -6.052 7.130 3.770 1.00 0.89 H new ATOM 0 HA3 GLY A 81 -4.330 7.444 3.863 1.00 0.89 H new ATOM 1261 N TYR A 82 -3.789 5.832 2.008 1.00 0.62 N ATOM 1262 CA TYR A 82 -3.548 4.966 0.854 1.00 0.61 C ATOM 1263 C TYR A 82 -3.070 3.598 1.306 1.00 0.62 C ATOM 1264 O TYR A 82 -2.382 3.451 2.309 1.00 0.70 O ATOM 1265 CB TYR A 82 -2.537 5.556 -0.134 1.00 0.71 C ATOM 1266 CG TYR A 82 -3.027 6.826 -0.767 1.00 0.68 C ATOM 1267 CD1 TYR A 82 -3.911 6.738 -1.850 1.00 2.17 C ATOM 1268 CD2 TYR A 82 -2.642 8.080 -0.259 1.00 1.81 C ATOM 1269 CE1 TYR A 82 -4.416 7.906 -2.431 1.00 2.14 C ATOM 1270 CE2 TYR A 82 -3.149 9.256 -0.841 1.00 1.85 C ATOM 1271 CZ TYR A 82 -4.049 9.173 -1.926 1.00 0.69 C ATOM 1272 OH TYR A 82 -4.581 10.301 -2.467 1.00 0.74 O ATOM 0 H TYR A 82 -3.095 6.568 2.137 1.00 0.62 H new ATOM 0 HA TYR A 82 -4.502 4.877 0.334 1.00 0.61 H new ATOM 0 HB2 TYR A 82 -1.598 5.751 0.384 1.00 0.71 H new ATOM 0 HB3 TYR A 82 -2.325 4.824 -0.913 1.00 0.71 H new ATOM 0 HD1 TYR A 82 -4.202 5.772 -2.235 1.00 2.17 H new ATOM 0 HD2 TYR A 82 -1.959 8.140 0.576 1.00 1.81 H new ATOM 0 HE1 TYR A 82 -5.091 7.839 -3.271 1.00 2.14 H new ATOM 0 HE2 TYR A 82 -2.850 10.221 -0.459 1.00 1.85 H new ATOM 0 HH TYR A 82 -4.224 11.087 -2.002 1.00 0.74 H new ATOM 1282 N HIS A 83 -3.476 2.565 0.589 1.00 0.59 N ATOM 1283 CA HIS A 83 -3.113 1.199 0.955 1.00 0.60 C ATOM 1284 C HIS A 83 -3.295 0.262 -0.222 1.00 0.64 C ATOM 1285 O HIS A 83 -4.193 0.459 -1.045 1.00 0.72 O ATOM 1286 CB HIS A 83 -3.882 0.719 2.199 1.00 0.61 C ATOM 1287 CG HIS A 83 -5.365 0.716 2.022 1.00 0.59 C ATOM 1288 ND1 HIS A 83 -6.184 1.815 2.119 1.00 0.57 N ATOM 1289 CD2 HIS A 83 -6.132 -0.349 1.634 1.00 0.63 C ATOM 1290 CE1 HIS A 83 -7.422 1.431 1.782 1.00 0.59 C ATOM 1291 NE2 HIS A 83 -7.437 0.118 1.491 1.00 0.63 N ATOM 0 H HIS A 83 -4.055 2.641 -0.247 1.00 0.59 H new ATOM 0 HA HIS A 83 -2.056 1.192 1.222 1.00 0.60 H new ATOM 0 HB2 HIS A 83 -3.553 -0.289 2.453 1.00 0.61 H new ATOM 0 HB3 HIS A 83 -3.627 1.360 3.043 1.00 0.61 H new ATOM 0 HD1 HIS A 83 -5.900 2.754 2.398 1.00 0.57 H new ATOM 0 HD2 HIS A 83 -5.790 -1.360 1.470 1.00 0.63 H new ATOM 0 HE1 HIS A 83 -8.283 2.081 1.749 1.00 0.59 H new ATOM 1299 N PHE A 84 -2.495 -0.801 -0.251 1.00 0.63 N ATOM 1300 CA PHE A 84 -2.765 -1.911 -1.148 1.00 0.70 C ATOM 1301 C PHE A 84 -3.894 -2.757 -0.548 1.00 0.66 C ATOM 1302 O PHE A 84 -3.969 -2.922 0.673 1.00 0.79 O ATOM 1303 CB PHE A 84 -1.471 -2.694 -1.395 1.00 0.79 C ATOM 1304 CG PHE A 84 -0.440 -1.933 -2.209 1.00 0.85 C ATOM 1305 CD1 PHE A 84 -0.722 -1.590 -3.544 1.00 1.67 C ATOM 1306 CD2 PHE A 84 0.798 -1.562 -1.645 1.00 2.42 C ATOM 1307 CE1 PHE A 84 0.225 -0.900 -4.317 1.00 1.66 C ATOM 1308 CE2 PHE A 84 1.751 -0.880 -2.423 1.00 2.52 C ATOM 1309 CZ PHE A 84 1.467 -0.556 -3.762 1.00 1.09 C ATOM 0 H PHE A 84 -1.665 -0.913 0.331 1.00 0.63 H new ATOM 0 HA PHE A 84 -3.104 -1.567 -2.125 1.00 0.70 H new ATOM 0 HB2 PHE A 84 -1.033 -2.966 -0.435 1.00 0.79 H new ATOM 0 HB3 PHE A 84 -1.713 -3.624 -1.910 1.00 0.79 H new ATOM 0 HD1 PHE A 84 -1.674 -1.860 -3.977 1.00 1.67 H new ATOM 0 HD2 PHE A 84 1.015 -1.802 -0.614 1.00 2.42 H new ATOM 0 HE1 PHE A 84 -0.002 -0.634 -5.339 1.00 1.66 H new ATOM 0 HE2 PHE A 84 2.702 -0.605 -1.992 1.00 2.52 H new ATOM 0 HZ PHE A 84 2.204 -0.043 -4.362 1.00 1.09 H new ATOM 1319 N MET A 85 -4.771 -3.280 -1.406 1.00 0.67 N ATOM 1320 CA MET A 85 -5.838 -4.243 -1.113 1.00 0.59 C ATOM 1321 C MET A 85 -5.527 -5.536 -1.873 1.00 0.64 C ATOM 1322 O MET A 85 -5.510 -5.537 -3.100 1.00 0.80 O ATOM 1323 CB MET A 85 -7.198 -3.671 -1.518 1.00 0.60 C ATOM 1324 CG MET A 85 -8.343 -4.376 -0.772 1.00 0.69 C ATOM 1325 SD MET A 85 -9.047 -3.458 0.642 1.00 0.83 S ATOM 1326 CE MET A 85 -8.223 -4.320 2.000 1.00 1.11 C ATOM 0 H MET A 85 -4.755 -3.025 -2.394 1.00 0.67 H new ATOM 0 HA MET A 85 -5.884 -4.450 -0.044 1.00 0.59 H new ATOM 0 HB2 MET A 85 -7.224 -2.603 -1.304 1.00 0.60 H new ATOM 0 HB3 MET A 85 -7.337 -3.784 -2.593 1.00 0.60 H new ATOM 0 HG2 MET A 85 -9.143 -4.582 -1.483 1.00 0.69 H new ATOM 0 HG3 MET A 85 -7.980 -5.339 -0.413 1.00 0.69 H new ATOM 0 HE1 MET A 85 -8.454 -3.821 2.941 1.00 1.11 H new ATOM 0 HE2 MET A 85 -8.572 -5.352 2.041 1.00 1.11 H new ATOM 0 HE3 MET A 85 -7.145 -4.308 1.838 1.00 1.11 H new ATOM 1336 N LEU A 86 -5.254 -6.607 -1.137 1.00 0.63 N ATOM 1337 CA LEU A 86 -4.807 -7.901 -1.641 1.00 0.70 C ATOM 1338 C LEU A 86 -6.016 -8.836 -1.736 1.00 0.70 C ATOM 1339 O LEU A 86 -6.642 -9.115 -0.711 1.00 0.74 O ATOM 1340 CB LEU A 86 -3.775 -8.473 -0.646 1.00 0.80 C ATOM 1341 CG LEU A 86 -2.339 -7.910 -0.709 1.00 0.90 C ATOM 1342 CD1 LEU A 86 -2.229 -6.421 -0.335 1.00 1.05 C ATOM 1343 CD2 LEU A 86 -1.469 -8.721 0.264 1.00 1.50 C ATOM 0 H LEU A 86 -5.343 -6.596 -0.121 1.00 0.63 H new ATOM 0 HA LEU A 86 -4.353 -7.801 -2.627 1.00 0.70 H new ATOM 0 HB2 LEU A 86 -4.155 -8.313 0.363 1.00 0.80 H new ATOM 0 HB3 LEU A 86 -3.721 -9.551 -0.799 1.00 0.80 H new ATOM 0 HG LEU A 86 -2.009 -7.995 -1.744 1.00 0.90 H new ATOM 0 HD11 LEU A 86 -1.188 -6.104 -0.405 1.00 1.05 H new ATOM 0 HD12 LEU A 86 -2.835 -5.828 -1.020 1.00 1.05 H new ATOM 0 HD13 LEU A 86 -2.585 -6.275 0.685 1.00 1.05 H new ATOM 0 HD21 LEU A 86 -0.447 -8.343 0.239 1.00 1.50 H new ATOM 0 HD22 LEU A 86 -1.867 -8.625 1.274 1.00 1.50 H new ATOM 0 HD23 LEU A 86 -1.475 -9.770 -0.031 1.00 1.50 H new ATOM 1355 N LEU A 87 -6.351 -9.320 -2.936 1.00 0.75 N ATOM 1356 CA LEU A 87 -7.510 -10.179 -3.195 1.00 0.77 C ATOM 1357 C LEU A 87 -7.050 -11.580 -3.631 1.00 0.77 C ATOM 1358 O LEU A 87 -6.161 -11.735 -4.472 1.00 0.89 O ATOM 1359 CB LEU A 87 -8.398 -9.539 -4.288 1.00 0.86 C ATOM 1360 CG LEU A 87 -9.270 -8.311 -3.920 1.00 0.89 C ATOM 1361 CD1 LEU A 87 -10.311 -8.638 -2.843 1.00 2.20 C ATOM 1362 CD2 LEU A 87 -8.477 -7.090 -3.441 1.00 2.16 C ATOM 0 H LEU A 87 -5.809 -9.120 -3.776 1.00 0.75 H new ATOM 0 HA LEU A 87 -8.091 -10.279 -2.278 1.00 0.77 H new ATOM 0 HB2 LEU A 87 -7.747 -9.246 -5.112 1.00 0.86 H new ATOM 0 HB3 LEU A 87 -9.064 -10.314 -4.668 1.00 0.86 H new ATOM 0 HG LEU A 87 -9.756 -8.058 -4.862 1.00 0.89 H new ATOM 0 HD11 LEU A 87 -10.896 -7.746 -2.620 1.00 2.20 H new ATOM 0 HD12 LEU A 87 -10.973 -9.425 -3.204 1.00 2.20 H new ATOM 0 HD13 LEU A 87 -9.805 -8.975 -1.938 1.00 2.20 H new ATOM 0 HD21 LEU A 87 -9.166 -6.278 -3.205 1.00 2.16 H new ATOM 0 HD22 LEU A 87 -7.907 -7.353 -2.550 1.00 2.16 H new ATOM 0 HD23 LEU A 87 -7.793 -6.769 -4.227 1.00 2.16 H new ATOM 1374 N GLY A 88 -7.672 -12.618 -3.068 1.00 0.73 N ATOM 1375 CA GLY A 88 -7.425 -14.014 -3.455 1.00 0.77 C ATOM 1376 C GLY A 88 -6.077 -14.536 -2.953 1.00 0.81 C ATOM 1377 O GLY A 88 -5.263 -15.004 -3.743 1.00 1.63 O ATOM 0 H GLY A 88 -8.365 -12.516 -2.327 1.00 0.73 H new ATOM 0 HA2 GLY A 88 -8.223 -14.643 -3.061 1.00 0.77 H new ATOM 0 HA3 GLY A 88 -7.461 -14.097 -4.541 1.00 0.77 H new ATOM 1381 N LEU A 89 -5.810 -14.361 -1.658 1.00 0.63 N ATOM 1382 CA LEU A 89 -4.574 -14.740 -0.976 1.00 0.53 C ATOM 1383 C LEU A 89 -4.063 -16.153 -1.255 1.00 0.56 C ATOM 1384 O LEU A 89 -4.804 -17.083 -1.558 1.00 0.71 O ATOM 1385 CB LEU A 89 -4.668 -14.552 0.546 1.00 0.52 C ATOM 1386 CG LEU A 89 -5.338 -13.276 1.083 1.00 0.58 C ATOM 1387 CD1 LEU A 89 -5.166 -13.294 2.603 1.00 0.66 C ATOM 1388 CD2 LEU A 89 -4.744 -11.981 0.510 1.00 0.56 C ATOM 0 H LEU A 89 -6.484 -13.930 -1.026 1.00 0.63 H new ATOM 0 HA LEU A 89 -3.848 -14.052 -1.409 1.00 0.53 H new ATOM 0 HB2 LEU A 89 -5.207 -15.407 0.954 1.00 0.52 H new ATOM 0 HB3 LEU A 89 -3.656 -14.591 0.949 1.00 0.52 H new ATOM 0 HG LEU A 89 -6.385 -13.278 0.779 1.00 0.58 H new ATOM 0 HD11 LEU A 89 -5.627 -12.404 3.032 1.00 0.66 H new ATOM 0 HD12 LEU A 89 -5.644 -14.184 3.013 1.00 0.66 H new ATOM 0 HD13 LEU A 89 -4.104 -13.307 2.849 1.00 0.66 H new ATOM 0 HD21 LEU A 89 -5.266 -11.123 0.934 1.00 0.56 H new ATOM 0 HD22 LEU A 89 -3.685 -11.923 0.763 1.00 0.56 H new ATOM 0 HD23 LEU A 89 -4.859 -11.977 -0.574 1.00 0.56 H new ATOM 1400 N LYS A 90 -2.755 -16.293 -1.050 1.00 0.57 N ATOM 1401 CA LYS A 90 -2.039 -17.568 -1.196 1.00 0.63 C ATOM 1402 C LYS A 90 -1.511 -18.136 0.128 1.00 0.70 C ATOM 1403 O LYS A 90 -1.405 -19.348 0.296 1.00 0.79 O ATOM 1404 CB LYS A 90 -0.882 -17.397 -2.173 1.00 0.71 C ATOM 1405 CG LYS A 90 -1.193 -16.659 -3.492 1.00 0.72 C ATOM 1406 CD LYS A 90 -2.296 -17.346 -4.296 1.00 1.17 C ATOM 1407 CE LYS A 90 -2.354 -16.798 -5.727 1.00 1.19 C ATOM 1408 NZ LYS A 90 -3.211 -17.622 -6.609 1.00 1.76 N ATOM 0 H LYS A 90 -2.152 -15.518 -0.775 1.00 0.57 H new ATOM 0 HA LYS A 90 -2.766 -18.287 -1.575 1.00 0.63 H new ATOM 0 HB2 LYS A 90 -0.082 -16.860 -1.663 1.00 0.71 H new ATOM 0 HB3 LYS A 90 -0.495 -18.386 -2.419 1.00 0.71 H new ATOM 0 HG2 LYS A 90 -1.493 -15.635 -3.270 1.00 0.72 H new ATOM 0 HG3 LYS A 90 -0.288 -16.603 -4.096 1.00 0.72 H new ATOM 0 HD2 LYS A 90 -2.117 -18.421 -4.321 1.00 1.17 H new ATOM 0 HD3 LYS A 90 -3.257 -17.194 -3.805 1.00 1.17 H new ATOM 0 HE2 LYS A 90 -2.733 -15.776 -5.707 1.00 1.19 H new ATOM 0 HE3 LYS A 90 -1.346 -16.756 -6.139 1.00 1.19 H new ATOM 0 HZ1 LYS A 90 -3.062 -17.340 -7.599 1.00 1.76 H new ATOM 0 HZ2 LYS A 90 -2.964 -18.626 -6.494 1.00 1.76 H new ATOM 0 HZ3 LYS A 90 -4.209 -17.480 -6.355 1.00 1.76 H new ATOM 1422 N ARG A 91 -1.171 -17.250 1.068 1.00 0.78 N ATOM 1423 CA ARG A 91 -0.923 -17.560 2.479 1.00 0.90 C ATOM 1424 C ARG A 91 -2.029 -16.917 3.334 1.00 0.85 C ATOM 1425 O ARG A 91 -2.281 -15.727 3.134 1.00 0.79 O ATOM 1426 CB ARG A 91 0.425 -16.978 2.928 1.00 1.04 C ATOM 1427 CG ARG A 91 1.651 -17.665 2.302 1.00 1.45 C ATOM 1428 CD ARG A 91 2.964 -16.967 2.700 1.00 2.53 C ATOM 1429 NE ARG A 91 3.458 -17.355 4.036 1.00 2.76 N ATOM 1430 CZ ARG A 91 4.377 -18.272 4.310 1.00 3.58 C ATOM 1431 NH1 ARG A 91 4.861 -19.104 3.408 1.00 4.24 N ATOM 1432 NH2 ARG A 91 4.824 -18.342 5.537 1.00 4.33 N ATOM 0 H ARG A 91 -1.056 -16.258 0.859 1.00 0.78 H new ATOM 0 HA ARG A 91 -0.912 -18.643 2.602 1.00 0.90 H new ATOM 0 HB2 ARG A 91 0.451 -15.917 2.679 1.00 1.04 H new ATOM 0 HB3 ARG A 91 0.496 -17.052 4.013 1.00 1.04 H new ATOM 0 HG2 ARG A 91 1.684 -18.708 2.618 1.00 1.45 H new ATOM 0 HG3 ARG A 91 1.553 -17.664 1.216 1.00 1.45 H new ATOM 0 HD2 ARG A 91 3.728 -17.198 1.958 1.00 2.53 H new ATOM 0 HD3 ARG A 91 2.814 -15.888 2.677 1.00 2.53 H new ATOM 0 HE ARG A 91 3.050 -16.866 4.833 1.00 2.76 H new ATOM 0 HH11 ARG A 91 4.529 -19.061 2.444 1.00 4.24 H new ATOM 0 HH12 ARG A 91 5.567 -19.790 3.674 1.00 4.24 H new ATOM 0 HH21 ARG A 91 4.466 -17.704 6.247 1.00 4.33 H new ATOM 0 HH22 ARG A 91 5.531 -19.035 5.784 1.00 4.33 H new ATOM 1446 N PRO A 92 -2.614 -17.631 4.315 1.00 1.00 N ATOM 1447 CA PRO A 92 -3.341 -17.012 5.415 1.00 1.11 C ATOM 1448 C PRO A 92 -2.303 -16.364 6.339 1.00 1.15 C ATOM 1449 O PRO A 92 -1.822 -16.993 7.285 1.00 1.46 O ATOM 1450 CB PRO A 92 -4.128 -18.161 6.062 1.00 1.35 C ATOM 1451 CG PRO A 92 -3.252 -19.388 5.814 1.00 1.40 C ATOM 1452 CD PRO A 92 -2.561 -19.079 4.485 1.00 1.19 C ATOM 0 HA PRO A 92 -4.038 -16.223 5.133 1.00 1.11 H new ATOM 0 HB2 PRO A 92 -4.284 -17.989 7.127 1.00 1.35 H new ATOM 0 HB3 PRO A 92 -5.113 -18.275 5.610 1.00 1.35 H new ATOM 0 HG2 PRO A 92 -2.529 -19.532 6.617 1.00 1.40 H new ATOM 0 HG3 PRO A 92 -3.847 -20.299 5.753 1.00 1.40 H new ATOM 0 HD2 PRO A 92 -1.529 -19.431 4.494 1.00 1.19 H new ATOM 0 HD3 PRO A 92 -3.063 -19.585 3.660 1.00 1.19 H new ATOM 1460 N LEU A 93 -1.869 -15.146 5.987 1.00 1.47 N ATOM 1461 CA LEU A 93 -0.655 -14.533 6.526 1.00 1.71 C ATOM 1462 C LEU A 93 -0.902 -13.761 7.824 1.00 1.70 C ATOM 1463 O LEU A 93 -1.768 -12.887 7.896 1.00 2.24 O ATOM 1464 CB LEU A 93 0.088 -13.712 5.460 1.00 2.52 C ATOM 1465 CG LEU A 93 -0.514 -12.356 5.025 1.00 1.57 C ATOM 1466 CD1 LEU A 93 0.500 -11.705 4.085 1.00 2.53 C ATOM 1467 CD2 LEU A 93 -1.856 -12.466 4.292 1.00 1.22 C ATOM 0 H LEU A 93 -2.358 -14.556 5.314 1.00 1.47 H new ATOM 0 HA LEU A 93 0.013 -15.347 6.807 1.00 1.71 H new ATOM 0 HB2 LEU A 93 1.097 -13.525 5.829 1.00 2.52 H new ATOM 0 HB3 LEU A 93 0.184 -14.333 4.570 1.00 2.52 H new ATOM 0 HG LEU A 93 -0.711 -11.776 5.926 1.00 1.57 H new ATOM 0 HD11 LEU A 93 0.118 -10.741 3.750 1.00 2.53 H new ATOM 0 HD12 LEU A 93 1.443 -11.559 4.612 1.00 2.53 H new ATOM 0 HD13 LEU A 93 0.663 -12.351 3.222 1.00 2.53 H new ATOM 0 HD21 LEU A 93 -2.206 -11.470 4.023 1.00 1.22 H new ATOM 0 HD22 LEU A 93 -1.729 -13.062 3.388 1.00 1.22 H new ATOM 0 HD23 LEU A 93 -2.588 -12.945 4.943 1.00 1.22 H new ATOM 1479 N LYS A 94 -0.148 -14.126 8.859 1.00 1.48 N ATOM 1480 CA LYS A 94 -0.391 -13.755 10.249 1.00 1.47 C ATOM 1481 C LYS A 94 0.613 -12.781 10.846 1.00 1.48 C ATOM 1482 O LYS A 94 1.715 -12.599 10.336 1.00 2.10 O ATOM 1483 CB LYS A 94 -0.343 -15.037 11.068 1.00 1.62 C ATOM 1484 CG LYS A 94 -1.515 -15.947 10.713 1.00 1.86 C ATOM 1485 CD LYS A 94 -1.246 -17.310 11.322 1.00 2.13 C ATOM 1486 CE LYS A 94 -0.087 -18.118 10.708 1.00 2.58 C ATOM 1487 NZ LYS A 94 -0.062 -18.076 9.226 1.00 3.62 N ATOM 0 H LYS A 94 0.680 -14.711 8.747 1.00 1.48 H new ATOM 0 HA LYS A 94 -1.353 -13.244 10.274 1.00 1.47 H new ATOM 0 HB2 LYS A 94 0.597 -15.557 10.884 1.00 1.62 H new ATOM 0 HB3 LYS A 94 -0.371 -14.797 12.131 1.00 1.62 H new ATOM 0 HG2 LYS A 94 -2.448 -15.535 11.097 1.00 1.86 H new ATOM 0 HG3 LYS A 94 -1.623 -16.027 9.631 1.00 1.86 H new ATOM 0 HD2 LYS A 94 -1.043 -17.175 12.385 1.00 2.13 H new ATOM 0 HD3 LYS A 94 -2.156 -17.905 11.244 1.00 2.13 H new ATOM 0 HE2 LYS A 94 0.858 -17.733 11.091 1.00 2.58 H new ATOM 0 HE3 LYS A 94 -0.164 -19.155 11.034 1.00 2.58 H new ATOM 0 HZ1 LYS A 94 0.219 -19.007 8.857 1.00 3.62 H new ATOM 0 HZ2 LYS A 94 -1.008 -17.834 8.870 1.00 3.62 H new ATOM 0 HZ3 LYS A 94 0.621 -17.358 8.911 1.00 3.62 H new ATOM 1501 N ALA A 95 0.238 -12.249 12.006 1.00 1.19 N ATOM 1502 CA ALA A 95 1.117 -11.429 12.821 1.00 1.15 C ATOM 1503 C ALA A 95 2.363 -12.242 13.190 1.00 1.18 C ATOM 1504 O ALA A 95 2.252 -13.367 13.677 1.00 1.24 O ATOM 1505 CB ALA A 95 0.345 -10.949 14.052 1.00 1.24 C ATOM 0 H ALA A 95 -0.691 -12.378 12.406 1.00 1.19 H new ATOM 0 HA ALA A 95 1.452 -10.547 12.275 1.00 1.15 H new ATOM 0 HB1 ALA A 95 0.996 -10.332 14.672 1.00 1.24 H new ATOM 0 HB2 ALA A 95 -0.517 -10.362 13.735 1.00 1.24 H new ATOM 0 HB3 ALA A 95 0.006 -11.810 14.628 1.00 1.24 H new ATOM 1511 N GLY A 96 3.531 -11.688 12.865 1.00 1.28 N ATOM 1512 CA GLY A 96 4.839 -12.333 13.018 1.00 1.42 C ATOM 1513 C GLY A 96 5.368 -13.064 11.777 1.00 1.45 C ATOM 1514 O GLY A 96 6.417 -13.693 11.883 1.00 1.69 O ATOM 0 H GLY A 96 3.597 -10.748 12.475 1.00 1.28 H new ATOM 0 HA2 GLY A 96 5.566 -11.575 13.308 1.00 1.42 H new ATOM 0 HA3 GLY A 96 4.778 -13.047 13.839 1.00 1.42 H new ATOM 1518 N GLU A 97 4.698 -12.997 10.619 1.00 1.36 N ATOM 1519 CA GLU A 97 5.319 -13.357 9.331 1.00 1.37 C ATOM 1520 C GLU A 97 6.028 -12.147 8.696 1.00 1.30 C ATOM 1521 O GLU A 97 5.974 -11.033 9.207 1.00 1.27 O ATOM 1522 CB GLU A 97 4.297 -13.967 8.355 1.00 1.40 C ATOM 1523 CG GLU A 97 3.665 -15.259 8.903 1.00 1.67 C ATOM 1524 CD GLU A 97 2.817 -16.026 7.884 1.00 1.69 C ATOM 1525 OE1 GLU A 97 3.340 -16.430 6.817 1.00 2.77 O ATOM 1526 OE2 GLU A 97 1.642 -16.312 8.207 1.00 2.06 O ATOM 0 H GLU A 97 3.726 -12.697 10.544 1.00 1.36 H new ATOM 0 HA GLU A 97 6.070 -14.119 9.539 1.00 1.37 H new ATOM 0 HB2 GLU A 97 3.512 -13.239 8.153 1.00 1.40 H new ATOM 0 HB3 GLU A 97 4.787 -14.180 7.405 1.00 1.40 H new ATOM 0 HG2 GLU A 97 4.459 -15.913 9.264 1.00 1.67 H new ATOM 0 HG3 GLU A 97 3.042 -15.009 9.762 1.00 1.67 H new ATOM 1533 N GLU A 98 6.654 -12.374 7.544 1.00 1.33 N ATOM 1534 CA GLU A 98 7.506 -11.485 6.759 1.00 1.35 C ATOM 1535 C GLU A 98 7.286 -11.919 5.313 1.00 1.40 C ATOM 1536 O GLU A 98 7.362 -13.112 5.010 1.00 1.65 O ATOM 1537 CB GLU A 98 8.988 -11.677 7.133 1.00 1.55 C ATOM 1538 CG GLU A 98 9.449 -10.799 8.303 1.00 1.61 C ATOM 1539 CD GLU A 98 10.133 -9.525 7.809 1.00 2.27 C ATOM 1540 OE1 GLU A 98 9.497 -8.794 7.016 1.00 3.49 O ATOM 1541 OE2 GLU A 98 11.290 -9.305 8.223 1.00 2.75 O ATOM 0 H GLU A 98 6.567 -13.283 7.089 1.00 1.33 H new ATOM 0 HA GLU A 98 7.264 -10.436 6.932 1.00 1.35 H new ATOM 0 HB2 GLU A 98 9.156 -12.723 7.388 1.00 1.55 H new ATOM 0 HB3 GLU A 98 9.605 -11.458 6.261 1.00 1.55 H new ATOM 0 HG2 GLU A 98 8.592 -10.536 8.923 1.00 1.61 H new ATOM 0 HG3 GLU A 98 10.137 -11.362 8.933 1.00 1.61 H new ATOM 1548 N VAL A 99 6.917 -10.974 4.452 1.00 1.21 N ATOM 1549 CA VAL A 99 6.423 -11.252 3.090 1.00 1.24 C ATOM 1550 C VAL A 99 6.848 -10.149 2.124 1.00 1.08 C ATOM 1551 O VAL A 99 6.823 -8.965 2.450 1.00 1.07 O ATOM 1552 CB VAL A 99 4.883 -11.427 3.054 1.00 1.49 C ATOM 1553 CG1 VAL A 99 4.385 -11.806 1.646 1.00 1.76 C ATOM 1554 CG2 VAL A 99 4.371 -12.529 4.006 1.00 1.74 C ATOM 0 H VAL A 99 6.950 -9.979 4.675 1.00 1.21 H new ATOM 0 HA VAL A 99 6.872 -12.194 2.775 1.00 1.24 H new ATOM 0 HB VAL A 99 4.496 -10.458 3.367 1.00 1.49 H new ATOM 0 HG11 VAL A 99 3.301 -11.920 1.662 1.00 1.76 H new ATOM 0 HG12 VAL A 99 4.657 -11.021 0.940 1.00 1.76 H new ATOM 0 HG13 VAL A 99 4.844 -12.746 1.338 1.00 1.76 H new ATOM 0 HG21 VAL A 99 3.286 -12.599 3.931 1.00 1.74 H new ATOM 0 HG22 VAL A 99 4.816 -13.485 3.729 1.00 1.74 H new ATOM 0 HG23 VAL A 99 4.649 -12.283 5.031 1.00 1.74 H new ATOM 1564 N GLU A 100 7.231 -10.565 0.916 1.00 1.11 N ATOM 1565 CA GLU A 100 7.726 -9.685 -0.148 1.00 1.09 C ATOM 1566 C GLU A 100 6.616 -8.956 -0.923 1.00 0.86 C ATOM 1567 O GLU A 100 5.512 -9.471 -1.133 1.00 0.70 O ATOM 1568 CB GLU A 100 8.604 -10.447 -1.153 1.00 1.34 C ATOM 1569 CG GLU A 100 9.940 -10.926 -0.569 1.00 1.61 C ATOM 1570 CD GLU A 100 10.967 -11.107 -1.687 1.00 1.96 C ATOM 1571 OE1 GLU A 100 10.728 -11.911 -2.619 1.00 2.41 O ATOM 1572 OE2 GLU A 100 11.976 -10.366 -1.712 1.00 3.15 O ATOM 0 H GLU A 100 7.206 -11.547 0.642 1.00 1.11 H new ATOM 0 HA GLU A 100 8.316 -8.933 0.375 1.00 1.09 H new ATOM 0 HB2 GLU A 100 8.050 -11.309 -1.524 1.00 1.34 H new ATOM 0 HB3 GLU A 100 8.803 -9.803 -2.010 1.00 1.34 H new ATOM 0 HG2 GLU A 100 10.307 -10.203 0.159 1.00 1.61 H new ATOM 0 HG3 GLU A 100 9.798 -11.868 -0.039 1.00 1.61 H new ATOM 1579 N LEU A 101 6.977 -7.782 -1.448 1.00 1.02 N ATOM 1580 CA LEU A 101 6.204 -7.017 -2.419 1.00 0.87 C ATOM 1581 C LEU A 101 7.136 -6.305 -3.414 1.00 0.73 C ATOM 1582 O LEU A 101 8.108 -5.649 -3.040 1.00 0.68 O ATOM 1583 CB LEU A 101 5.212 -6.106 -1.662 1.00 0.97 C ATOM 1584 CG LEU A 101 4.296 -5.171 -2.476 1.00 1.61 C ATOM 1585 CD1 LEU A 101 3.008 -4.917 -1.673 1.00 1.99 C ATOM 1586 CD2 LEU A 101 4.951 -3.815 -2.766 1.00 3.06 C ATOM 0 H LEU A 101 7.852 -7.323 -1.195 1.00 1.02 H new ATOM 0 HA LEU A 101 5.595 -7.668 -3.047 1.00 0.87 H new ATOM 0 HB2 LEU A 101 4.574 -6.746 -1.054 1.00 0.97 H new ATOM 0 HB3 LEU A 101 5.790 -5.487 -0.975 1.00 0.97 H new ATOM 0 HG LEU A 101 4.092 -5.661 -3.428 1.00 1.61 H new ATOM 0 HD11 LEU A 101 2.351 -4.256 -2.239 1.00 1.99 H new ATOM 0 HD12 LEU A 101 2.500 -5.864 -1.490 1.00 1.99 H new ATOM 0 HD13 LEU A 101 3.259 -4.450 -0.720 1.00 1.99 H new ATOM 0 HD21 LEU A 101 4.264 -3.195 -3.342 1.00 3.06 H new ATOM 0 HD22 LEU A 101 5.188 -3.317 -1.826 1.00 3.06 H new ATOM 0 HD23 LEU A 101 5.867 -3.968 -3.337 1.00 3.06 H new ATOM 1598 N ASP A 102 6.812 -6.476 -4.693 1.00 0.82 N ATOM 1599 CA ASP A 102 7.282 -5.730 -5.864 1.00 0.76 C ATOM 1600 C ASP A 102 6.506 -4.407 -5.962 1.00 0.65 C ATOM 1601 O ASP A 102 5.287 -4.422 -6.150 1.00 0.82 O ATOM 1602 CB ASP A 102 6.954 -6.554 -7.125 1.00 0.86 C ATOM 1603 CG ASP A 102 7.917 -7.686 -7.465 1.00 1.23 C ATOM 1604 OD1 ASP A 102 9.077 -7.424 -7.841 1.00 2.16 O ATOM 1605 OD2 ASP A 102 7.437 -8.843 -7.513 1.00 2.35 O ATOM 0 H ASP A 102 6.154 -7.206 -4.964 1.00 0.82 H new ATOM 0 HA ASP A 102 8.352 -5.542 -5.779 1.00 0.76 H new ATOM 0 HB2 ASP A 102 5.957 -6.978 -7.006 1.00 0.86 H new ATOM 0 HB3 ASP A 102 6.912 -5.874 -7.976 1.00 0.86 H new ATOM 1610 N LEU A 103 7.188 -3.265 -5.869 1.00 0.52 N ATOM 1611 CA LEU A 103 6.610 -1.948 -6.130 1.00 0.49 C ATOM 1612 C LEU A 103 6.752 -1.653 -7.629 1.00 0.45 C ATOM 1613 O LEU A 103 7.865 -1.655 -8.161 1.00 0.51 O ATOM 1614 CB LEU A 103 7.310 -0.867 -5.283 1.00 0.55 C ATOM 1615 CG LEU A 103 7.025 -0.905 -3.766 1.00 0.71 C ATOM 1616 CD1 LEU A 103 7.982 -1.840 -3.010 1.00 1.03 C ATOM 1617 CD2 LEU A 103 7.176 0.507 -3.181 1.00 0.90 C ATOM 0 H LEU A 103 8.173 -3.229 -5.606 1.00 0.52 H new ATOM 0 HA LEU A 103 5.556 -1.940 -5.852 1.00 0.49 H new ATOM 0 HB2 LEU A 103 8.386 -0.957 -5.433 1.00 0.55 H new ATOM 0 HB3 LEU A 103 7.016 0.111 -5.663 1.00 0.55 H new ATOM 0 HG LEU A 103 6.009 -1.281 -3.643 1.00 0.71 H new ATOM 0 HD11 LEU A 103 7.738 -1.829 -1.948 1.00 1.03 H new ATOM 0 HD12 LEU A 103 7.880 -2.854 -3.396 1.00 1.03 H new ATOM 0 HD13 LEU A 103 9.008 -1.500 -3.150 1.00 1.03 H new ATOM 0 HD21 LEU A 103 6.975 0.481 -2.110 1.00 0.90 H new ATOM 0 HD22 LEU A 103 8.192 0.864 -3.351 1.00 0.90 H new ATOM 0 HD23 LEU A 103 6.469 1.180 -3.666 1.00 0.90 H new ATOM 1629 N LEU A 104 5.626 -1.424 -8.314 1.00 0.45 N ATOM 1630 CA LEU A 104 5.570 -1.268 -9.768 1.00 0.51 C ATOM 1631 C LEU A 104 5.560 0.224 -10.136 1.00 0.51 C ATOM 1632 O LEU A 104 4.637 0.957 -9.759 1.00 0.47 O ATOM 1633 CB LEU A 104 4.328 -2.007 -10.314 1.00 0.55 C ATOM 1634 CG LEU A 104 4.133 -3.477 -9.872 1.00 0.68 C ATOM 1635 CD1 LEU A 104 2.925 -4.065 -10.613 1.00 0.81 C ATOM 1636 CD2 LEU A 104 5.364 -4.356 -10.125 1.00 0.84 C ATOM 0 H LEU A 104 4.714 -1.341 -7.864 1.00 0.45 H new ATOM 0 HA LEU A 104 6.454 -1.710 -10.227 1.00 0.51 H new ATOM 0 HB2 LEU A 104 3.442 -1.444 -10.019 1.00 0.55 H new ATOM 0 HB3 LEU A 104 4.372 -1.984 -11.403 1.00 0.55 H new ATOM 0 HG LEU A 104 3.970 -3.470 -8.794 1.00 0.68 H new ATOM 0 HD11 LEU A 104 2.780 -5.101 -10.308 1.00 0.81 H new ATOM 0 HD12 LEU A 104 2.033 -3.487 -10.371 1.00 0.81 H new ATOM 0 HD13 LEU A 104 3.103 -4.025 -11.688 1.00 0.81 H new ATOM 0 HD21 LEU A 104 5.159 -5.374 -9.792 1.00 0.84 H new ATOM 0 HD22 LEU A 104 5.594 -4.362 -11.190 1.00 0.84 H new ATOM 0 HD23 LEU A 104 6.215 -3.958 -9.572 1.00 0.84 H new ATOM 1648 N PHE A 105 6.574 0.686 -10.874 1.00 0.66 N ATOM 1649 CA PHE A 105 6.811 2.108 -11.158 1.00 0.66 C ATOM 1650 C PHE A 105 6.693 2.447 -12.658 1.00 0.64 C ATOM 1651 O PHE A 105 7.114 1.688 -13.534 1.00 0.91 O ATOM 1652 CB PHE A 105 8.203 2.491 -10.645 1.00 0.75 C ATOM 1653 CG PHE A 105 8.349 2.458 -9.144 1.00 0.75 C ATOM 1654 CD1 PHE A 105 7.835 3.509 -8.362 1.00 1.62 C ATOM 1655 CD2 PHE A 105 9.004 1.377 -8.531 1.00 2.17 C ATOM 1656 CE1 PHE A 105 7.974 3.474 -6.970 1.00 1.63 C ATOM 1657 CE2 PHE A 105 9.148 1.351 -7.137 1.00 2.20 C ATOM 1658 CZ PHE A 105 8.634 2.394 -6.357 1.00 0.86 C ATOM 0 H PHE A 105 7.268 0.071 -11.300 1.00 0.66 H new ATOM 0 HA PHE A 105 6.038 2.682 -10.646 1.00 0.66 H new ATOM 0 HB2 PHE A 105 8.936 1.814 -11.083 1.00 0.75 H new ATOM 0 HB3 PHE A 105 8.443 3.494 -10.999 1.00 0.75 H new ATOM 0 HD1 PHE A 105 7.334 4.341 -8.835 1.00 1.62 H new ATOM 0 HD2 PHE A 105 9.395 0.569 -9.132 1.00 2.17 H new ATOM 0 HE1 PHE A 105 7.575 4.276 -6.367 1.00 1.63 H new ATOM 0 HE2 PHE A 105 9.657 0.524 -6.663 1.00 2.20 H new ATOM 0 HZ PHE A 105 8.745 2.369 -5.283 1.00 0.86 H new ATOM 1668 N ALA A 106 6.173 3.638 -12.964 1.00 0.52 N ATOM 1669 CA ALA A 106 5.972 4.110 -14.336 1.00 0.57 C ATOM 1670 C ALA A 106 7.292 4.275 -15.125 1.00 1.33 C ATOM 1671 O ALA A 106 8.279 4.834 -14.632 1.00 2.14 O ATOM 1672 CB ALA A 106 5.174 5.419 -14.308 1.00 1.33 C ATOM 0 H ALA A 106 5.876 4.310 -12.257 1.00 0.52 H new ATOM 0 HA ALA A 106 5.408 3.345 -14.869 1.00 0.57 H new ATOM 0 HB1 ALA A 106 5.022 5.774 -15.327 1.00 1.33 H new ATOM 0 HB2 ALA A 106 4.207 5.246 -13.836 1.00 1.33 H new ATOM 0 HB3 ALA A 106 5.725 6.169 -13.741 1.00 1.33 H new ATOM 1678 N GLY A 107 7.276 3.827 -16.389 1.00 2.18 N ATOM 1679 CA GLY A 107 8.403 3.941 -17.322 1.00 3.21 C ATOM 1680 C GLY A 107 9.421 2.805 -17.196 1.00 2.86 C ATOM 1681 O GLY A 107 10.613 3.085 -17.142 1.00 3.92 O ATOM 0 H GLY A 107 6.463 3.367 -16.798 1.00 2.18 H new ATOM 0 HA2 GLY A 107 8.019 3.962 -18.342 1.00 3.21 H new ATOM 0 HA3 GLY A 107 8.909 4.891 -17.153 1.00 3.21 H new ATOM 1685 N GLY A 108 8.952 1.552 -17.130 1.00 1.65 N ATOM 1686 CA GLY A 108 9.798 0.350 -17.233 1.00 1.61 C ATOM 1687 C GLY A 108 10.585 0.011 -15.966 1.00 1.40 C ATOM 1688 O GLY A 108 11.708 -0.472 -16.065 1.00 1.72 O ATOM 0 H GLY A 108 7.963 1.339 -17.002 1.00 1.65 H new ATOM 0 HA2 GLY A 108 9.167 -0.501 -17.491 1.00 1.61 H new ATOM 0 HA3 GLY A 108 10.501 0.486 -18.055 1.00 1.61 H new ATOM 1692 N LYS A 109 10.042 0.296 -14.778 1.00 1.06 N ATOM 1693 CA LYS A 109 10.770 0.200 -13.507 1.00 0.95 C ATOM 1694 C LYS A 109 10.044 -0.684 -12.490 1.00 0.89 C ATOM 1695 O LYS A 109 8.822 -0.635 -12.371 1.00 1.18 O ATOM 1696 CB LYS A 109 10.911 1.613 -12.923 1.00 1.01 C ATOM 1697 CG LYS A 109 11.858 2.513 -13.723 1.00 1.37 C ATOM 1698 CD LYS A 109 11.509 3.993 -13.479 1.00 1.74 C ATOM 1699 CE LYS A 109 11.832 4.859 -14.701 1.00 2.64 C ATOM 1700 NZ LYS A 109 10.918 6.027 -14.763 1.00 3.70 N ATOM 0 H LYS A 109 9.075 0.603 -14.670 1.00 1.06 H new ATOM 0 HA LYS A 109 11.742 -0.252 -13.705 1.00 0.95 H new ATOM 0 HB2 LYS A 109 9.927 2.080 -12.881 1.00 1.01 H new ATOM 0 HB3 LYS A 109 11.272 1.539 -11.897 1.00 1.01 H new ATOM 0 HG2 LYS A 109 12.890 2.321 -13.430 1.00 1.37 H new ATOM 0 HG3 LYS A 109 11.781 2.283 -14.786 1.00 1.37 H new ATOM 0 HD2 LYS A 109 10.450 4.083 -13.239 1.00 1.74 H new ATOM 0 HD3 LYS A 109 12.064 4.360 -12.615 1.00 1.74 H new ATOM 0 HE2 LYS A 109 12.866 5.200 -14.650 1.00 2.64 H new ATOM 0 HE3 LYS A 109 11.737 4.266 -15.611 1.00 2.64 H new ATOM 0 HZ1 LYS A 109 11.080 6.548 -15.648 1.00 3.70 H new ATOM 0 HZ2 LYS A 109 9.932 5.698 -14.731 1.00 3.70 H new ATOM 0 HZ3 LYS A 109 11.100 6.654 -13.954 1.00 3.70 H new ATOM 1714 N VAL A 110 10.824 -1.406 -11.695 1.00 0.75 N ATOM 1715 CA VAL A 110 10.359 -2.260 -10.596 1.00 0.71 C ATOM 1716 C VAL A 110 11.393 -2.297 -9.466 1.00 0.72 C ATOM 1717 O VAL A 110 12.586 -2.178 -9.739 1.00 0.83 O ATOM 1718 CB VAL A 110 10.039 -3.675 -11.124 1.00 0.78 C ATOM 1719 CG1 VAL A 110 11.281 -4.474 -11.558 1.00 2.02 C ATOM 1720 CG2 VAL A 110 9.220 -4.498 -10.118 1.00 1.69 C ATOM 0 H VAL A 110 11.839 -1.417 -11.798 1.00 0.75 H new ATOM 0 HA VAL A 110 9.442 -1.841 -10.183 1.00 0.71 H new ATOM 0 HB VAL A 110 9.438 -3.502 -12.017 1.00 0.78 H new ATOM 0 HG11 VAL A 110 10.974 -5.457 -11.917 1.00 2.02 H new ATOM 0 HG12 VAL A 110 11.796 -3.941 -12.357 1.00 2.02 H new ATOM 0 HG13 VAL A 110 11.953 -4.591 -10.708 1.00 2.02 H new ATOM 0 HG21 VAL A 110 9.019 -5.485 -10.534 1.00 1.69 H new ATOM 0 HG22 VAL A 110 9.782 -4.602 -9.190 1.00 1.69 H new ATOM 0 HG23 VAL A 110 8.277 -3.991 -9.916 1.00 1.69 H new ATOM 1730 N LEU A 111 10.937 -2.453 -8.218 1.00 0.69 N ATOM 1731 CA LEU A 111 11.798 -2.546 -7.031 1.00 0.73 C ATOM 1732 C LEU A 111 11.107 -3.436 -5.991 1.00 0.73 C ATOM 1733 O LEU A 111 10.007 -3.121 -5.546 1.00 0.81 O ATOM 1734 CB LEU A 111 12.065 -1.113 -6.517 1.00 0.81 C ATOM 1735 CG LEU A 111 13.328 -0.909 -5.657 1.00 1.10 C ATOM 1736 CD1 LEU A 111 13.541 0.597 -5.444 1.00 1.88 C ATOM 1737 CD2 LEU A 111 13.241 -1.598 -4.287 1.00 2.26 C ATOM 0 H LEU A 111 9.943 -2.519 -8.000 1.00 0.69 H new ATOM 0 HA LEU A 111 12.761 -3.003 -7.257 1.00 0.73 H new ATOM 0 HB2 LEU A 111 12.130 -0.449 -7.379 1.00 0.81 H new ATOM 0 HB3 LEU A 111 11.201 -0.795 -5.933 1.00 0.81 H new ATOM 0 HG LEU A 111 14.163 -1.362 -6.192 1.00 1.10 H new ATOM 0 HD11 LEU A 111 14.432 0.756 -4.837 1.00 1.88 H new ATOM 0 HD12 LEU A 111 13.668 1.087 -6.410 1.00 1.88 H new ATOM 0 HD13 LEU A 111 12.675 1.019 -4.934 1.00 1.88 H new ATOM 0 HD21 LEU A 111 14.160 -1.417 -3.730 1.00 2.26 H new ATOM 0 HD22 LEU A 111 12.394 -1.196 -3.731 1.00 2.26 H new ATOM 0 HD23 LEU A 111 13.107 -2.671 -4.427 1.00 2.26 H new ATOM 1749 N LYS A 112 11.726 -4.553 -5.602 1.00 0.99 N ATOM 1750 CA LYS A 112 11.148 -5.484 -4.623 1.00 1.11 C ATOM 1751 C LYS A 112 11.676 -5.218 -3.202 1.00 1.23 C ATOM 1752 O LYS A 112 12.880 -5.068 -3.003 1.00 1.51 O ATOM 1753 CB LYS A 112 11.395 -6.923 -5.112 1.00 1.42 C ATOM 1754 CG LYS A 112 10.617 -7.979 -4.307 1.00 1.63 C ATOM 1755 CD LYS A 112 10.465 -9.302 -5.076 1.00 2.02 C ATOM 1756 CE LYS A 112 11.798 -9.956 -5.464 1.00 2.17 C ATOM 1757 NZ LYS A 112 12.400 -10.680 -4.321 1.00 2.17 N ATOM 0 H LYS A 112 12.639 -4.839 -5.954 1.00 0.99 H new ATOM 0 HA LYS A 112 10.071 -5.330 -4.550 1.00 1.11 H new ATOM 0 HB2 LYS A 112 11.113 -6.996 -6.162 1.00 1.42 H new ATOM 0 HB3 LYS A 112 12.461 -7.142 -5.052 1.00 1.42 H new ATOM 0 HG2 LYS A 112 11.131 -8.166 -3.364 1.00 1.63 H new ATOM 0 HG3 LYS A 112 9.630 -7.589 -4.059 1.00 1.63 H new ATOM 0 HD2 LYS A 112 9.893 -10.001 -4.466 1.00 2.02 H new ATOM 0 HD3 LYS A 112 9.885 -9.120 -5.981 1.00 2.02 H new ATOM 0 HE2 LYS A 112 11.638 -10.648 -6.291 1.00 2.17 H new ATOM 0 HE3 LYS A 112 12.490 -9.192 -5.817 1.00 2.17 H new ATOM 0 HZ1 LYS A 112 13.299 -11.110 -4.617 1.00 2.17 H new ATOM 0 HZ2 LYS A 112 12.575 -10.014 -3.542 1.00 2.17 H new ATOM 0 HZ3 LYS A 112 11.749 -11.425 -4.000 1.00 2.17 H new ATOM 1771 N VAL A 113 10.772 -5.184 -2.223 1.00 1.12 N ATOM 1772 CA VAL A 113 11.058 -5.010 -0.786 1.00 1.29 C ATOM 1773 C VAL A 113 10.375 -6.154 -0.010 1.00 1.26 C ATOM 1774 O VAL A 113 9.586 -6.901 -0.584 1.00 1.27 O ATOM 1775 CB VAL A 113 10.604 -3.604 -0.301 1.00 1.37 C ATOM 1776 CG1 VAL A 113 11.048 -3.263 1.134 1.00 1.88 C ATOM 1777 CG2 VAL A 113 11.154 -2.482 -1.207 1.00 2.16 C ATOM 0 H VAL A 113 9.774 -5.281 -2.411 1.00 1.12 H new ATOM 0 HA VAL A 113 12.131 -5.061 -0.603 1.00 1.29 H new ATOM 0 HB VAL A 113 9.516 -3.655 -0.339 1.00 1.37 H new ATOM 0 HG11 VAL A 113 10.693 -2.267 1.398 1.00 1.88 H new ATOM 0 HG12 VAL A 113 10.630 -3.993 1.827 1.00 1.88 H new ATOM 0 HG13 VAL A 113 12.136 -3.288 1.194 1.00 1.88 H new ATOM 0 HG21 VAL A 113 10.815 -1.515 -0.835 1.00 2.16 H new ATOM 0 HG22 VAL A 113 12.244 -2.511 -1.201 1.00 2.16 H new ATOM 0 HG23 VAL A 113 10.793 -2.626 -2.225 1.00 2.16 H new ATOM 1787 N VAL A 114 10.678 -6.282 1.283 1.00 1.32 N ATOM 1788 CA VAL A 114 10.060 -7.233 2.221 1.00 1.29 C ATOM 1789 C VAL A 114 9.506 -6.455 3.415 1.00 1.23 C ATOM 1790 O VAL A 114 10.135 -5.509 3.886 1.00 1.37 O ATOM 1791 CB VAL A 114 11.050 -8.347 2.644 1.00 1.58 C ATOM 1792 CG1 VAL A 114 12.234 -7.837 3.486 1.00 1.88 C ATOM 1793 CG2 VAL A 114 10.331 -9.500 3.359 1.00 2.41 C ATOM 0 H VAL A 114 11.390 -5.703 1.728 1.00 1.32 H new ATOM 0 HA VAL A 114 9.236 -7.749 1.728 1.00 1.29 H new ATOM 0 HB VAL A 114 11.476 -8.724 1.714 1.00 1.58 H new ATOM 0 HG11 VAL A 114 12.884 -8.673 3.744 1.00 1.88 H new ATOM 0 HG12 VAL A 114 12.799 -7.102 2.912 1.00 1.88 H new ATOM 0 HG13 VAL A 114 11.859 -7.374 4.398 1.00 1.88 H new ATOM 0 HG21 VAL A 114 11.057 -10.263 3.641 1.00 2.41 H new ATOM 0 HG22 VAL A 114 9.837 -9.121 4.254 1.00 2.41 H new ATOM 0 HG23 VAL A 114 9.588 -9.936 2.691 1.00 2.41 H new ATOM 1803 N LEU A 115 8.294 -6.820 3.841 1.00 1.13 N ATOM 1804 CA LEU A 115 7.548 -6.174 4.916 1.00 1.12 C ATOM 1805 C LEU A 115 7.103 -7.246 5.940 1.00 1.10 C ATOM 1806 O LEU A 115 6.590 -8.295 5.513 1.00 1.07 O ATOM 1807 CB LEU A 115 6.288 -5.474 4.352 1.00 1.16 C ATOM 1808 CG LEU A 115 6.420 -4.336 3.314 1.00 1.18 C ATOM 1809 CD1 LEU A 115 7.482 -3.292 3.687 1.00 2.78 C ATOM 1810 CD2 LEU A 115 6.644 -4.827 1.874 1.00 2.16 C ATOM 0 H LEU A 115 7.789 -7.604 3.428 1.00 1.13 H new ATOM 0 HA LEU A 115 8.189 -5.433 5.393 1.00 1.12 H new ATOM 0 HB2 LEU A 115 5.664 -6.247 3.904 1.00 1.16 H new ATOM 0 HB3 LEU A 115 5.736 -5.072 5.202 1.00 1.16 H new ATOM 0 HG LEU A 115 5.445 -3.849 3.343 1.00 1.18 H new ATOM 0 HD11 LEU A 115 7.522 -2.522 2.916 1.00 2.78 H new ATOM 0 HD12 LEU A 115 7.224 -2.835 4.642 1.00 2.78 H new ATOM 0 HD13 LEU A 115 8.455 -3.776 3.768 1.00 2.78 H new ATOM 0 HD21 LEU A 115 6.726 -3.970 1.206 1.00 2.16 H new ATOM 0 HD22 LEU A 115 7.562 -5.413 1.828 1.00 2.16 H new ATOM 0 HD23 LEU A 115 5.802 -5.447 1.566 1.00 2.16 H new ATOM 1822 N PRO A 116 7.177 -6.965 7.258 1.00 1.17 N ATOM 1823 CA PRO A 116 6.579 -7.804 8.288 1.00 1.18 C ATOM 1824 C PRO A 116 5.051 -7.759 8.224 1.00 1.08 C ATOM 1825 O PRO A 116 4.441 -6.757 7.848 1.00 0.98 O ATOM 1826 CB PRO A 116 7.117 -7.284 9.625 1.00 1.32 C ATOM 1827 CG PRO A 116 7.439 -5.821 9.326 1.00 1.34 C ATOM 1828 CD PRO A 116 7.926 -5.884 7.881 1.00 1.33 C ATOM 0 HA PRO A 116 6.842 -8.853 8.151 1.00 1.18 H new ATOM 0 HB2 PRO A 116 6.378 -7.379 10.421 1.00 1.32 H new ATOM 0 HB3 PRO A 116 8.002 -7.834 9.944 1.00 1.32 H new ATOM 0 HG2 PRO A 116 6.563 -5.182 9.432 1.00 1.34 H new ATOM 0 HG3 PRO A 116 8.203 -5.428 9.996 1.00 1.34 H new ATOM 0 HD2 PRO A 116 7.750 -4.939 7.367 1.00 1.33 H new ATOM 0 HD3 PRO A 116 8.998 -6.075 7.838 1.00 1.33 H new ATOM 1836 N VAL A 117 4.413 -8.849 8.631 1.00 1.19 N ATOM 1837 CA VAL A 117 2.961 -8.950 8.787 1.00 1.22 C ATOM 1838 C VAL A 117 2.620 -8.768 10.272 1.00 1.30 C ATOM 1839 O VAL A 117 3.292 -9.325 11.138 1.00 1.35 O ATOM 1840 CB VAL A 117 2.462 -10.314 8.284 1.00 1.29 C ATOM 1841 CG1 VAL A 117 0.924 -10.362 8.234 1.00 1.35 C ATOM 1842 CG2 VAL A 117 3.017 -10.708 6.902 1.00 1.32 C ATOM 0 H VAL A 117 4.901 -9.712 8.869 1.00 1.19 H new ATOM 0 HA VAL A 117 2.469 -8.177 8.197 1.00 1.22 H new ATOM 0 HB VAL A 117 2.840 -11.036 9.008 1.00 1.29 H new ATOM 0 HG11 VAL A 117 0.602 -11.339 7.874 1.00 1.35 H new ATOM 0 HG12 VAL A 117 0.522 -10.192 9.233 1.00 1.35 H new ATOM 0 HG13 VAL A 117 0.558 -9.588 7.559 1.00 1.35 H new ATOM 0 HG21 VAL A 117 2.620 -11.682 6.615 1.00 1.32 H new ATOM 0 HG22 VAL A 117 2.719 -9.963 6.164 1.00 1.32 H new ATOM 0 HG23 VAL A 117 4.105 -10.759 6.948 1.00 1.32 H new ATOM 1852 N GLU A 118 1.563 -8.005 10.560 1.00 1.42 N ATOM 1853 CA GLU A 118 1.118 -7.603 11.892 1.00 1.47 C ATOM 1854 C GLU A 118 -0.390 -7.312 11.939 1.00 1.49 C ATOM 1855 O GLU A 118 -1.013 -7.065 10.909 1.00 1.90 O ATOM 1856 CB GLU A 118 1.917 -6.369 12.368 1.00 1.66 C ATOM 1857 CG GLU A 118 2.820 -6.724 13.548 1.00 2.25 C ATOM 1858 CD GLU A 118 2.015 -6.937 14.833 1.00 3.39 C ATOM 1859 OE1 GLU A 118 1.179 -7.868 14.844 1.00 4.79 O ATOM 1860 OE2 GLU A 118 2.230 -6.169 15.790 1.00 3.68 O ATOM 0 H GLU A 118 0.962 -7.631 9.826 1.00 1.42 H new ATOM 0 HA GLU A 118 1.305 -8.440 12.565 1.00 1.47 H new ATOM 0 HB2 GLU A 118 2.521 -5.983 11.547 1.00 1.66 H new ATOM 0 HB3 GLU A 118 1.229 -5.575 12.658 1.00 1.66 H new ATOM 0 HG2 GLU A 118 3.382 -7.629 13.317 1.00 2.25 H new ATOM 0 HG3 GLU A 118 3.548 -5.927 13.702 1.00 2.25 H new