USER MOD reduce.3.24.130724 H: found=0, std=0, add=945, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 944 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 50 MET CE :methyl -118:sc= 0 (180deg=-0.00199) USER MOD Set 1.2: A 57 LYS NZ :NH3+ -161:sc= 0.481 (180deg=0.114) USER MOD Set 2.1: A 46 HIS : no HD1:sc= -0.606 K(o=-0.58,f=-3!) USER MOD Set 2.2: A 48 THR OG1 : rot 120:sc= 0.0271 USER MOD Set 2.3: A 83 HIS : no HD1:sc= 0.00359 K(o=-0.58,f=-1.3) USER MOD Single : A 11 SER OG : rot 159:sc= 1.47 USER MOD Single : A 15 ASN : amide:sc= 0.374 K(o=0.37,f=-4.8!) USER MOD Single : A 19 TYR OH : rot -173:sc= 1.2 USER MOD Single : A 21 THR OG1 : rot -160:sc=-0.00317 USER MOD Single : A 24 ASN : amide:sc= -0.687 K(o=-0.69,f=-4.3) USER MOD Single : A 37 THR OG1 : rot 96:sc= 0.34 USER MOD Single : A 56 LYS NZ :NH3+ -154:sc= 0.339 (180deg=-1.89!) USER MOD Single : A 59 MET CE :methyl 149:sc= -0.107 (180deg=-0.826) USER MOD Single : A 61 MET CE :methyl -171:sc= -0.0108 (180deg=-0.198) USER MOD Single : A 72 LYS NZ :NH3+ -110:sc= 0.393 (180deg=-0.169!) USER MOD Single : A 78 LYS NZ :NH3+ 158:sc= 0.571 (180deg=-0.7!) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ -147:sc= 0.725 (180deg=-1.45!) USER MOD Single : A 94 LYS NZ :NH3+ 167:sc= 1.73 (180deg=1.55) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 143:sc= -0.269! (180deg=-0.866!) USER MOD ----------------------------------------------------------------- ATOM 55 N GLU A 5 4.754 -3.585 11.715 1.00 1.99 N ATOM 56 CA GLU A 5 3.845 -3.925 10.627 1.00 1.83 C ATOM 57 C GLU A 5 2.964 -2.696 10.294 1.00 1.35 C ATOM 58 O GLU A 5 3.093 -1.640 10.925 1.00 1.95 O ATOM 59 CB GLU A 5 3.029 -5.148 11.073 1.00 3.14 C ATOM 60 CG GLU A 5 2.485 -5.966 9.904 1.00 4.57 C ATOM 61 CD GLU A 5 1.839 -7.241 10.424 1.00 6.12 C ATOM 62 OE1 GLU A 5 2.583 -8.237 10.568 1.00 6.96 O ATOM 63 OE2 GLU A 5 0.620 -7.183 10.695 1.00 6.90 O ATOM 0 HA GLU A 5 4.377 -4.183 9.711 1.00 1.83 H new ATOM 0 HB2 GLU A 5 3.655 -5.787 11.695 1.00 3.14 H new ATOM 0 HB3 GLU A 5 2.197 -4.815 11.694 1.00 3.14 H new ATOM 0 HG2 GLU A 5 1.755 -5.379 9.346 1.00 4.57 H new ATOM 0 HG3 GLU A 5 3.292 -6.212 9.213 1.00 4.57 H new ATOM 70 N GLY A 6 2.093 -2.810 9.286 1.00 0.99 N ATOM 71 CA GLY A 6 1.122 -1.793 8.850 1.00 0.99 C ATOM 72 C GLY A 6 -0.277 -2.399 8.687 1.00 0.76 C ATOM 73 O GLY A 6 -0.470 -3.551 9.046 1.00 1.00 O ATOM 0 H GLY A 6 2.041 -3.657 8.721 1.00 0.99 H new ATOM 0 HA2 GLY A 6 1.088 -0.983 9.578 1.00 0.99 H new ATOM 0 HA3 GLY A 6 1.446 -1.358 7.904 1.00 0.99 H new ATOM 77 N TRP A 7 -1.267 -1.638 8.203 1.00 0.81 N ATOM 78 CA TRP A 7 -2.692 -2.017 8.233 1.00 0.78 C ATOM 79 C TRP A 7 -3.427 -1.747 6.901 1.00 0.80 C ATOM 80 O TRP A 7 -2.835 -1.292 5.924 1.00 0.78 O ATOM 81 CB TRP A 7 -3.378 -1.306 9.413 1.00 0.91 C ATOM 82 CG TRP A 7 -3.660 0.151 9.204 1.00 0.93 C ATOM 83 CD1 TRP A 7 -4.870 0.666 8.894 1.00 1.01 C ATOM 84 CD2 TRP A 7 -2.755 1.296 9.279 1.00 1.13 C ATOM 85 NE1 TRP A 7 -4.768 2.023 8.703 1.00 1.24 N ATOM 86 CE2 TRP A 7 -3.499 2.476 8.979 1.00 1.38 C ATOM 87 CE3 TRP A 7 -1.387 1.468 9.590 1.00 1.29 C ATOM 88 CZ2 TRP A 7 -2.937 3.758 9.024 1.00 1.77 C ATOM 89 CZ3 TRP A 7 -0.807 2.750 9.617 1.00 1.66 C ATOM 90 CH2 TRP A 7 -1.578 3.895 9.355 1.00 1.91 C ATOM 0 H TRP A 7 -1.102 -0.728 7.773 1.00 0.81 H new ATOM 0 HA TRP A 7 -2.746 -3.097 8.373 1.00 0.78 H new ATOM 0 HB2 TRP A 7 -4.318 -1.815 9.626 1.00 0.91 H new ATOM 0 HB3 TRP A 7 -2.750 -1.415 10.297 1.00 0.91 H new ATOM 0 HD1 TRP A 7 -5.783 0.095 8.809 1.00 1.01 H new ATOM 0 HE1 TRP A 7 -5.536 2.619 8.395 1.00 1.24 H new ATOM 0 HE3 TRP A 7 -0.778 0.603 9.810 1.00 1.29 H new ATOM 0 HZ2 TRP A 7 -3.539 4.628 8.808 1.00 1.77 H new ATOM 0 HZ3 TRP A 7 0.244 2.855 9.842 1.00 1.66 H new ATOM 0 HH2 TRP A 7 -1.129 4.876 9.408 1.00 1.91 H new ATOM 101 N VAL A 8 -4.733 -2.037 6.862 1.00 1.16 N ATOM 102 CA VAL A 8 -5.641 -1.887 5.700 1.00 1.20 C ATOM 103 C VAL A 8 -6.817 -0.935 6.001 1.00 1.32 C ATOM 104 O VAL A 8 -7.225 -0.829 7.154 1.00 1.63 O ATOM 105 CB VAL A 8 -6.115 -3.297 5.238 1.00 1.25 C ATOM 106 CG1 VAL A 8 -7.631 -3.560 5.277 1.00 2.11 C ATOM 107 CG2 VAL A 8 -5.599 -3.557 3.818 1.00 1.82 C ATOM 0 H VAL A 8 -5.219 -2.403 7.681 1.00 1.16 H new ATOM 0 HA VAL A 8 -5.096 -1.419 4.880 1.00 1.20 H new ATOM 0 HB VAL A 8 -5.696 -3.984 5.973 1.00 1.25 H new ATOM 0 HG11 VAL A 8 -7.833 -4.574 4.933 1.00 2.11 H new ATOM 0 HG12 VAL A 8 -7.994 -3.444 6.298 1.00 2.11 H new ATOM 0 HG13 VAL A 8 -8.141 -2.848 4.628 1.00 2.11 H new ATOM 0 HG21 VAL A 8 -5.926 -4.542 3.487 1.00 1.82 H new ATOM 0 HG22 VAL A 8 -5.993 -2.798 3.143 1.00 1.82 H new ATOM 0 HG23 VAL A 8 -4.510 -3.516 3.814 1.00 1.82 H new ATOM 117 N ARG A 9 -7.369 -0.265 4.974 1.00 1.11 N ATOM 118 CA ARG A 9 -8.419 0.767 5.114 1.00 1.26 C ATOM 119 C ARG A 9 -9.828 0.257 5.502 1.00 1.49 C ATOM 120 O ARG A 9 -10.599 1.047 6.045 1.00 3.11 O ATOM 121 CB ARG A 9 -8.485 1.590 3.800 1.00 1.19 C ATOM 122 CG ARG A 9 -9.586 2.672 3.811 1.00 1.55 C ATOM 123 CD ARG A 9 -9.621 3.650 2.634 1.00 2.31 C ATOM 124 NE ARG A 9 -8.553 4.666 2.671 1.00 3.15 N ATOM 125 CZ ARG A 9 -8.643 5.906 3.153 1.00 4.00 C ATOM 126 NH1 ARG A 9 -9.622 6.313 3.926 1.00 4.34 N ATOM 127 NH2 ARG A 9 -7.706 6.786 2.866 1.00 5.37 N ATOM 0 H ARG A 9 -7.095 -0.426 4.005 1.00 1.11 H new ATOM 0 HA ARG A 9 -8.120 1.379 5.965 1.00 1.26 H new ATOM 0 HB2 ARG A 9 -7.519 2.066 3.629 1.00 1.19 H new ATOM 0 HB3 ARG A 9 -8.659 0.913 2.964 1.00 1.19 H new ATOM 0 HG2 ARG A 9 -10.552 2.170 3.861 1.00 1.55 H new ATOM 0 HG3 ARG A 9 -9.480 3.252 4.728 1.00 1.55 H new ATOM 0 HD2 ARG A 9 -9.542 3.087 1.704 1.00 2.31 H new ATOM 0 HD3 ARG A 9 -10.588 4.153 2.621 1.00 2.31 H new ATOM 0 HE ARG A 9 -7.649 4.391 2.287 1.00 3.15 H new ATOM 0 HH11 ARG A 9 -10.367 5.668 4.188 1.00 4.34 H new ATOM 0 HH12 ARG A 9 -9.638 7.275 4.265 1.00 4.34 H new ATOM 0 HH21 ARG A 9 -6.917 6.517 2.278 1.00 5.37 H new ATOM 0 HH22 ARG A 9 -7.769 7.736 3.232 1.00 5.37 H new ATOM 141 N PHE A 10 -10.163 -1.003 5.170 1.00 0.95 N ATOM 142 CA PHE A 10 -11.512 -1.586 5.062 1.00 0.93 C ATOM 143 C PHE A 10 -12.270 -1.062 3.825 1.00 1.11 C ATOM 144 O PHE A 10 -11.983 0.013 3.304 1.00 1.55 O ATOM 145 CB PHE A 10 -12.309 -1.481 6.382 1.00 0.97 C ATOM 146 CG PHE A 10 -13.811 -1.623 6.258 1.00 1.10 C ATOM 147 CD1 PHE A 10 -14.596 -0.505 5.921 1.00 1.83 C ATOM 148 CD2 PHE A 10 -14.412 -2.887 6.382 1.00 1.66 C ATOM 149 CE1 PHE A 10 -15.969 -0.661 5.668 1.00 1.98 C ATOM 150 CE2 PHE A 10 -15.787 -3.043 6.146 1.00 1.91 C ATOM 151 CZ PHE A 10 -16.568 -1.929 5.783 1.00 1.63 C ATOM 0 H PHE A 10 -9.443 -1.692 4.954 1.00 0.95 H new ATOM 0 HA PHE A 10 -11.390 -2.656 4.895 1.00 0.93 H new ATOM 0 HB2 PHE A 10 -11.946 -2.248 7.066 1.00 0.97 H new ATOM 0 HB3 PHE A 10 -12.091 -0.516 6.840 1.00 0.97 H new ATOM 0 HD1 PHE A 10 -14.143 0.473 5.857 1.00 1.83 H new ATOM 0 HD2 PHE A 10 -13.814 -3.742 6.660 1.00 1.66 H new ATOM 0 HE1 PHE A 10 -16.566 0.194 5.385 1.00 1.98 H new ATOM 0 HE2 PHE A 10 -16.245 -4.016 6.243 1.00 1.91 H new ATOM 0 HZ PHE A 10 -17.625 -2.048 5.593 1.00 1.63 H new ATOM 161 N SER A 11 -13.260 -1.823 3.355 1.00 1.00 N ATOM 162 CA SER A 11 -14.293 -1.324 2.444 1.00 1.20 C ATOM 163 C SER A 11 -15.577 -2.164 2.545 1.00 1.14 C ATOM 164 O SER A 11 -15.483 -3.365 2.809 1.00 1.29 O ATOM 165 CB SER A 11 -13.758 -1.364 1.006 1.00 1.58 C ATOM 166 OG SER A 11 -14.628 -0.741 0.081 1.00 2.49 O ATOM 0 H SER A 11 -13.369 -2.808 3.597 1.00 1.00 H new ATOM 0 HA SER A 11 -14.538 -0.300 2.724 1.00 1.20 H new ATOM 0 HB2 SER A 11 -12.786 -0.873 0.971 1.00 1.58 H new ATOM 0 HB3 SER A 11 -13.602 -2.401 0.710 1.00 1.58 H new ATOM 0 HG SER A 11 -14.128 -0.497 -0.725 1.00 2.49 H new ATOM 172 N PRO A 12 -16.769 -1.568 2.323 1.00 1.35 N ATOM 173 CA PRO A 12 -18.015 -2.301 2.125 1.00 1.55 C ATOM 174 C PRO A 12 -18.212 -2.719 0.655 1.00 1.42 C ATOM 175 O PRO A 12 -19.221 -3.344 0.333 1.00 1.90 O ATOM 176 CB PRO A 12 -19.097 -1.308 2.564 1.00 1.99 C ATOM 177 CG PRO A 12 -18.541 0.026 2.066 1.00 2.01 C ATOM 178 CD PRO A 12 -17.030 -0.133 2.250 1.00 1.71 C ATOM 0 HA PRO A 12 -18.036 -3.233 2.689 1.00 1.55 H new ATOM 0 HB2 PRO A 12 -20.064 -1.537 2.117 1.00 1.99 H new ATOM 0 HB3 PRO A 12 -19.237 -1.311 3.645 1.00 1.99 H new ATOM 0 HG2 PRO A 12 -18.803 0.207 1.023 1.00 2.01 H new ATOM 0 HG3 PRO A 12 -18.931 0.865 2.643 1.00 2.01 H new ATOM 0 HD2 PRO A 12 -16.489 0.318 1.418 1.00 1.71 H new ATOM 0 HD3 PRO A 12 -16.695 0.369 3.158 1.00 1.71 H new ATOM 186 N GLY A 13 -17.290 -2.332 -0.244 1.00 1.09 N ATOM 187 CA GLY A 13 -17.364 -2.548 -1.688 1.00 1.04 C ATOM 188 C GLY A 13 -16.190 -3.362 -2.262 1.00 0.91 C ATOM 189 O GLY A 13 -15.280 -3.751 -1.529 1.00 1.09 O ATOM 0 H GLY A 13 -16.440 -1.841 0.034 1.00 1.09 H new ATOM 0 HA2 GLY A 13 -18.297 -3.062 -1.920 1.00 1.04 H new ATOM 0 HA3 GLY A 13 -17.400 -1.580 -2.188 1.00 1.04 H new ATOM 193 N PRO A 14 -16.198 -3.597 -3.591 1.00 0.91 N ATOM 194 CA PRO A 14 -15.225 -4.441 -4.289 1.00 1.00 C ATOM 195 C PRO A 14 -13.805 -3.868 -4.309 1.00 0.84 C ATOM 196 O PRO A 14 -12.860 -4.606 -4.585 1.00 0.98 O ATOM 197 CB PRO A 14 -15.765 -4.577 -5.716 1.00 1.23 C ATOM 198 CG PRO A 14 -16.592 -3.311 -5.921 1.00 1.22 C ATOM 199 CD PRO A 14 -17.177 -3.066 -4.534 1.00 1.08 C ATOM 0 HA PRO A 14 -15.126 -5.395 -3.771 1.00 1.00 H new ATOM 0 HB2 PRO A 14 -14.956 -4.648 -6.444 1.00 1.23 H new ATOM 0 HB3 PRO A 14 -16.374 -5.474 -5.828 1.00 1.23 H new ATOM 0 HG2 PRO A 14 -15.977 -2.475 -6.255 1.00 1.22 H new ATOM 0 HG3 PRO A 14 -17.371 -3.453 -6.670 1.00 1.22 H new ATOM 0 HD2 PRO A 14 -17.348 -2.003 -4.364 1.00 1.08 H new ATOM 0 HD3 PRO A 14 -18.139 -3.565 -4.422 1.00 1.08 H new ATOM 207 N ASN A 15 -13.653 -2.567 -4.053 1.00 0.69 N ATOM 208 CA ASN A 15 -12.412 -1.817 -4.046 1.00 0.65 C ATOM 209 C ASN A 15 -12.021 -1.268 -2.655 1.00 0.67 C ATOM 210 O ASN A 15 -12.829 -0.689 -1.926 1.00 0.98 O ATOM 211 CB ASN A 15 -12.513 -0.689 -5.086 1.00 0.83 C ATOM 212 CG ASN A 15 -13.733 0.239 -4.976 1.00 1.28 C ATOM 213 OD1 ASN A 15 -14.813 -0.132 -4.542 1.00 2.15 O ATOM 214 ND2 ASN A 15 -13.608 1.491 -5.377 1.00 1.82 N ATOM 0 H ASN A 15 -14.454 -1.976 -3.831 1.00 0.69 H new ATOM 0 HA ASN A 15 -11.608 -2.504 -4.309 1.00 0.65 H new ATOM 0 HB2 ASN A 15 -11.613 -0.079 -5.015 1.00 0.83 H new ATOM 0 HB3 ASN A 15 -12.516 -1.140 -6.079 1.00 0.83 H new ATOM 0 HD21 ASN A 15 -14.404 2.126 -5.321 1.00 1.82 H new ATOM 0 HD22 ASN A 15 -12.716 1.823 -5.743 1.00 1.82 H new ATOM 221 N ALA A 16 -10.729 -1.385 -2.345 1.00 0.50 N ATOM 222 CA ALA A 16 -10.082 -1.095 -1.058 1.00 0.47 C ATOM 223 C ALA A 16 -8.663 -0.496 -1.250 1.00 0.44 C ATOM 224 O ALA A 16 -8.233 -0.258 -2.377 1.00 0.44 O ATOM 225 CB ALA A 16 -10.072 -2.401 -0.245 1.00 0.50 C ATOM 0 H ALA A 16 -10.054 -1.709 -3.037 1.00 0.50 H new ATOM 0 HA ALA A 16 -10.637 -0.331 -0.513 1.00 0.47 H new ATOM 0 HB1 ALA A 16 -9.598 -2.225 0.720 1.00 0.50 H new ATOM 0 HB2 ALA A 16 -11.096 -2.741 -0.090 1.00 0.50 H new ATOM 0 HB3 ALA A 16 -9.515 -3.164 -0.789 1.00 0.50 H new ATOM 231 N ALA A 17 -7.932 -0.234 -0.162 1.00 0.46 N ATOM 232 CA ALA A 17 -6.565 0.308 -0.171 1.00 0.46 C ATOM 233 C ALA A 17 -5.765 -0.197 1.050 1.00 0.50 C ATOM 234 O ALA A 17 -6.356 -0.413 2.111 1.00 0.65 O ATOM 235 CB ALA A 17 -6.641 1.842 -0.163 1.00 0.55 C ATOM 0 H ALA A 17 -8.285 -0.398 0.781 1.00 0.46 H new ATOM 0 HA ALA A 17 -6.049 -0.032 -1.069 1.00 0.46 H new ATOM 0 HB1 ALA A 17 -5.633 2.256 -0.170 1.00 0.55 H new ATOM 0 HB2 ALA A 17 -7.180 2.184 -1.047 1.00 0.55 H new ATOM 0 HB3 ALA A 17 -7.165 2.176 0.733 1.00 0.55 H new ATOM 241 N ALA A 18 -4.442 -0.355 0.921 1.00 0.48 N ATOM 242 CA ALA A 18 -3.557 -0.927 1.951 1.00 0.51 C ATOM 243 C ALA A 18 -2.320 -0.056 2.265 1.00 0.48 C ATOM 244 O ALA A 18 -1.778 0.597 1.369 1.00 0.48 O ATOM 245 CB ALA A 18 -3.136 -2.328 1.490 1.00 0.58 C ATOM 0 H ALA A 18 -3.941 -0.082 0.075 1.00 0.48 H new ATOM 0 HA ALA A 18 -4.114 -0.972 2.887 1.00 0.51 H new ATOM 0 HB1 ALA A 18 -2.479 -2.774 2.236 1.00 0.58 H new ATOM 0 HB2 ALA A 18 -4.021 -2.952 1.366 1.00 0.58 H new ATOM 0 HB3 ALA A 18 -2.608 -2.255 0.539 1.00 0.58 H new ATOM 251 N TYR A 19 -1.866 -0.083 3.528 1.00 0.56 N ATOM 252 CA TYR A 19 -0.864 0.816 4.143 1.00 0.56 C ATOM 253 C TYR A 19 0.307 0.087 4.868 1.00 0.74 C ATOM 254 O TYR A 19 0.652 0.403 6.011 1.00 1.73 O ATOM 255 CB TYR A 19 -1.575 1.711 5.175 1.00 0.61 C ATOM 256 CG TYR A 19 -2.903 2.335 4.813 1.00 0.86 C ATOM 257 CD1 TYR A 19 -2.971 3.381 3.872 1.00 1.52 C ATOM 258 CD2 TYR A 19 -4.043 1.974 5.555 1.00 2.51 C ATOM 259 CE1 TYR A 19 -4.163 4.120 3.740 1.00 1.61 C ATOM 260 CE2 TYR A 19 -5.217 2.733 5.463 1.00 2.99 C ATOM 261 CZ TYR A 19 -5.261 3.833 4.585 1.00 1.91 C ATOM 262 OH TYR A 19 -6.335 4.657 4.607 1.00 2.52 O ATOM 0 H TYR A 19 -2.208 -0.776 4.194 1.00 0.56 H new ATOM 0 HA TYR A 19 -0.422 1.380 3.321 1.00 0.56 H new ATOM 0 HB2 TYR A 19 -1.725 1.118 6.077 1.00 0.61 H new ATOM 0 HB3 TYR A 19 -0.892 2.519 5.435 1.00 0.61 H new ATOM 0 HD1 TYR A 19 -2.115 3.615 3.256 1.00 1.52 H new ATOM 0 HD2 TYR A 19 -4.013 1.107 6.199 1.00 2.51 H new ATOM 0 HE1 TYR A 19 -4.238 4.901 2.998 1.00 1.61 H new ATOM 0 HE2 TYR A 19 -6.080 2.477 6.060 1.00 2.99 H new ATOM 0 HH TYR A 19 -6.948 4.376 5.318 1.00 2.52 H new ATOM 272 N LEU A 20 0.870 -0.973 4.278 1.00 0.99 N ATOM 273 CA LEU A 20 1.800 -1.879 4.981 1.00 1.02 C ATOM 274 C LEU A 20 3.210 -1.307 5.256 1.00 0.98 C ATOM 275 O LEU A 20 3.729 -0.495 4.480 1.00 1.04 O ATOM 276 CB LEU A 20 1.820 -3.265 4.311 1.00 1.20 C ATOM 277 CG LEU A 20 2.573 -3.404 2.972 1.00 1.27 C ATOM 278 CD1 LEU A 20 2.460 -4.867 2.526 1.00 2.83 C ATOM 279 CD2 LEU A 20 2.012 -2.509 1.859 1.00 1.61 C ATOM 0 H LEU A 20 0.699 -1.231 3.306 1.00 0.99 H new ATOM 0 HA LEU A 20 1.396 -1.993 5.987 1.00 1.02 H new ATOM 0 HB2 LEU A 20 2.257 -3.972 5.016 1.00 1.20 H new ATOM 0 HB3 LEU A 20 0.787 -3.574 4.149 1.00 1.20 H new ATOM 0 HG LEU A 20 3.604 -3.092 3.137 1.00 1.27 H new ATOM 0 HD11 LEU A 20 2.983 -5.000 1.579 1.00 2.83 H new ATOM 0 HD12 LEU A 20 2.907 -5.513 3.282 1.00 2.83 H new ATOM 0 HD13 LEU A 20 1.409 -5.129 2.400 1.00 2.83 H new ATOM 0 HD21 LEU A 20 2.589 -2.658 0.946 1.00 1.61 H new ATOM 0 HD22 LEU A 20 0.969 -2.768 1.675 1.00 1.61 H new ATOM 0 HD23 LEU A 20 2.079 -1.465 2.164 1.00 1.61 H new ATOM 291 N THR A 21 3.829 -1.781 6.346 1.00 1.10 N ATOM 292 CA THR A 21 5.221 -1.500 6.738 1.00 1.18 C ATOM 293 C THR A 21 6.118 -2.637 6.252 1.00 1.52 C ATOM 294 O THR A 21 5.662 -3.775 6.163 1.00 1.74 O ATOM 295 CB THR A 21 5.330 -1.326 8.261 1.00 1.32 C ATOM 296 OG1 THR A 21 4.327 -0.434 8.703 1.00 1.86 O ATOM 297 CG2 THR A 21 6.673 -0.736 8.702 1.00 1.62 C ATOM 0 H THR A 21 3.356 -2.396 7.007 1.00 1.10 H new ATOM 0 HA THR A 21 5.546 -0.568 6.276 1.00 1.18 H new ATOM 0 HB THR A 21 5.224 -2.322 8.691 1.00 1.32 H new ATOM 0 HG1 THR A 21 4.573 -0.074 9.581 1.00 1.86 H new ATOM 0 HG21 THR A 21 6.688 -0.638 9.787 1.00 1.62 H new ATOM 0 HG22 THR A 21 7.481 -1.395 8.386 1.00 1.62 H new ATOM 0 HG23 THR A 21 6.806 0.245 8.247 1.00 1.62 H new ATOM 305 N LEU A 22 7.381 -2.324 5.937 1.00 1.82 N ATOM 306 CA LEU A 22 8.380 -3.248 5.383 1.00 2.20 C ATOM 307 C LEU A 22 9.826 -2.795 5.689 1.00 1.78 C ATOM 308 O LEU A 22 10.055 -1.649 6.094 1.00 1.77 O ATOM 309 CB LEU A 22 8.084 -3.444 3.874 1.00 2.83 C ATOM 310 CG LEU A 22 8.807 -2.498 2.894 1.00 2.45 C ATOM 311 CD1 LEU A 22 10.048 -3.128 2.239 1.00 2.56 C ATOM 312 CD2 LEU A 22 7.858 -2.016 1.784 1.00 2.76 C ATOM 0 H LEU A 22 7.750 -1.382 6.066 1.00 1.82 H new ATOM 0 HA LEU A 22 8.301 -4.220 5.870 1.00 2.20 H new ATOM 0 HB2 LEU A 22 8.341 -4.469 3.608 1.00 2.83 H new ATOM 0 HB3 LEU A 22 7.010 -3.335 3.722 1.00 2.83 H new ATOM 0 HG LEU A 22 9.138 -1.656 3.502 1.00 2.45 H new ATOM 0 HD11 LEU A 22 10.507 -2.408 1.562 1.00 2.56 H new ATOM 0 HD12 LEU A 22 10.764 -3.408 3.011 1.00 2.56 H new ATOM 0 HD13 LEU A 22 9.753 -4.015 1.679 1.00 2.56 H new ATOM 0 HD21 LEU A 22 8.396 -1.351 1.109 1.00 2.76 H new ATOM 0 HD22 LEU A 22 7.485 -2.875 1.226 1.00 2.76 H new ATOM 0 HD23 LEU A 22 7.020 -1.480 2.229 1.00 2.76 H new ATOM 324 N GLU A 23 10.797 -3.683 5.483 1.00 1.61 N ATOM 325 CA GLU A 23 12.234 -3.485 5.705 1.00 1.45 C ATOM 326 C GLU A 23 13.075 -3.877 4.477 1.00 1.27 C ATOM 327 O GLU A 23 12.834 -4.905 3.850 1.00 1.49 O ATOM 328 CB GLU A 23 12.713 -4.287 6.940 1.00 1.84 C ATOM 329 CG GLU A 23 12.284 -5.769 7.031 1.00 3.17 C ATOM 330 CD GLU A 23 10.966 -5.936 7.790 1.00 3.41 C ATOM 331 OE1 GLU A 23 9.911 -5.543 7.251 1.00 4.24 O ATOM 332 OE2 GLU A 23 11.001 -6.305 8.981 1.00 3.74 O ATOM 0 H GLU A 23 10.592 -4.619 5.135 1.00 1.61 H new ATOM 0 HA GLU A 23 12.379 -2.419 5.883 1.00 1.45 H new ATOM 0 HB2 GLU A 23 13.802 -4.249 6.966 1.00 1.84 H new ATOM 0 HB3 GLU A 23 12.355 -3.776 7.834 1.00 1.84 H new ATOM 0 HG2 GLU A 23 12.179 -6.179 6.026 1.00 3.17 H new ATOM 0 HG3 GLU A 23 13.065 -6.343 7.529 1.00 3.17 H new ATOM 339 N ASN A 24 14.126 -3.105 4.176 1.00 1.05 N ATOM 340 CA ASN A 24 15.252 -3.558 3.358 1.00 1.00 C ATOM 341 C ASN A 24 16.396 -4.029 4.279 1.00 0.98 C ATOM 342 O ASN A 24 17.142 -3.194 4.795 1.00 0.97 O ATOM 343 CB ASN A 24 15.752 -2.429 2.435 1.00 0.99 C ATOM 344 CG ASN A 24 16.782 -2.954 1.435 1.00 1.03 C ATOM 345 OD1 ASN A 24 17.149 -4.125 1.429 1.00 1.60 O ATOM 346 ND2 ASN A 24 17.265 -2.115 0.546 1.00 0.88 N ATOM 0 H ASN A 24 14.217 -2.141 4.497 1.00 1.05 H new ATOM 0 HA ASN A 24 14.919 -4.386 2.732 1.00 1.00 H new ATOM 0 HB2 ASN A 24 14.909 -1.993 1.899 1.00 0.99 H new ATOM 0 HB3 ASN A 24 16.195 -1.634 3.035 1.00 0.99 H new ATOM 0 HD21 ASN A 24 17.942 -2.438 -0.145 1.00 0.88 H new ATOM 0 HD22 ASN A 24 16.963 -1.141 0.547 1.00 0.88 H new ATOM 353 N PRO A 25 16.562 -5.342 4.513 1.00 1.07 N ATOM 354 CA PRO A 25 17.671 -5.863 5.306 1.00 1.13 C ATOM 355 C PRO A 25 18.988 -5.978 4.525 1.00 1.13 C ATOM 356 O PRO A 25 20.032 -6.194 5.141 1.00 1.21 O ATOM 357 CB PRO A 25 17.191 -7.243 5.767 1.00 1.24 C ATOM 358 CG PRO A 25 16.307 -7.695 4.602 1.00 1.27 C ATOM 359 CD PRO A 25 15.619 -6.402 4.188 1.00 1.18 C ATOM 0 HA PRO A 25 17.907 -5.186 6.127 1.00 1.13 H new ATOM 0 HB2 PRO A 25 18.023 -7.927 5.934 1.00 1.24 H new ATOM 0 HB3 PRO A 25 16.633 -7.187 6.701 1.00 1.24 H new ATOM 0 HG2 PRO A 25 16.894 -8.120 3.788 1.00 1.27 H new ATOM 0 HG3 PRO A 25 15.589 -8.456 4.909 1.00 1.27 H new ATOM 0 HD2 PRO A 25 15.383 -6.406 3.124 1.00 1.18 H new ATOM 0 HD3 PRO A 25 14.678 -6.269 4.722 1.00 1.18 H new ATOM 367 N GLY A 26 18.970 -5.847 3.192 1.00 1.10 N ATOM 368 CA GLY A 26 20.135 -6.024 2.342 1.00 1.20 C ATOM 369 C GLY A 26 21.020 -4.789 2.285 1.00 1.06 C ATOM 370 O GLY A 26 20.750 -3.753 2.890 1.00 1.21 O ATOM 0 H GLY A 26 18.125 -5.610 2.673 1.00 1.10 H new ATOM 0 HA2 GLY A 26 20.720 -6.868 2.708 1.00 1.20 H new ATOM 0 HA3 GLY A 26 19.807 -6.277 1.334 1.00 1.20 H new ATOM 374 N ASP A 27 22.104 -4.948 1.541 1.00 1.12 N ATOM 375 CA ASP A 27 23.220 -4.021 1.373 1.00 1.31 C ATOM 376 C ASP A 27 23.181 -3.299 0.013 1.00 1.25 C ATOM 377 O ASP A 27 24.027 -2.470 -0.310 1.00 1.41 O ATOM 378 CB ASP A 27 24.471 -4.885 1.532 1.00 1.70 C ATOM 379 CG ASP A 27 24.590 -5.381 2.976 1.00 2.11 C ATOM 380 OD1 ASP A 27 25.105 -4.631 3.830 1.00 2.66 O ATOM 381 OD2 ASP A 27 23.982 -6.426 3.296 1.00 2.93 O ATOM 0 H ASP A 27 22.240 -5.798 0.993 1.00 1.12 H new ATOM 0 HA ASP A 27 23.188 -3.214 2.105 1.00 1.31 H new ATOM 0 HB2 ASP A 27 24.424 -5.734 0.851 1.00 1.70 H new ATOM 0 HB3 ASP A 27 25.356 -4.309 1.263 1.00 1.70 H new ATOM 386 N LEU A 28 22.150 -3.610 -0.772 1.00 1.06 N ATOM 387 CA LEU A 28 21.786 -3.007 -2.050 1.00 0.99 C ATOM 388 C LEU A 28 20.317 -2.523 -1.973 1.00 0.93 C ATOM 389 O LEU A 28 19.576 -2.975 -1.092 1.00 0.96 O ATOM 390 CB LEU A 28 21.995 -4.043 -3.173 1.00 1.10 C ATOM 391 CG LEU A 28 23.415 -4.657 -3.255 1.00 2.71 C ATOM 392 CD1 LEU A 28 23.521 -5.989 -2.491 1.00 4.02 C ATOM 393 CD2 LEU A 28 23.784 -4.922 -4.724 1.00 3.21 C ATOM 0 H LEU A 28 21.498 -4.348 -0.508 1.00 1.06 H new ATOM 0 HA LEU A 28 22.415 -2.145 -2.270 1.00 0.99 H new ATOM 0 HB2 LEU A 28 21.276 -4.851 -3.037 1.00 1.10 H new ATOM 0 HB3 LEU A 28 21.767 -3.570 -4.128 1.00 1.10 H new ATOM 0 HG LEU A 28 24.096 -3.938 -2.800 1.00 2.71 H new ATOM 0 HD11 LEU A 28 24.535 -6.379 -2.579 1.00 4.02 H new ATOM 0 HD12 LEU A 28 23.285 -5.825 -1.440 1.00 4.02 H new ATOM 0 HD13 LEU A 28 22.818 -6.707 -2.913 1.00 4.02 H new ATOM 0 HD21 LEU A 28 24.784 -5.354 -4.776 1.00 3.21 H new ATOM 0 HD22 LEU A 28 23.066 -5.616 -5.160 1.00 3.21 H new ATOM 0 HD23 LEU A 28 23.765 -3.984 -5.279 1.00 3.21 H new ATOM 405 N PRO A 29 19.867 -1.608 -2.851 1.00 0.91 N ATOM 406 CA PRO A 29 18.594 -0.923 -2.675 1.00 0.82 C ATOM 407 C PRO A 29 17.414 -1.789 -3.137 1.00 0.75 C ATOM 408 O PRO A 29 17.559 -2.667 -3.994 1.00 0.85 O ATOM 409 CB PRO A 29 18.724 0.374 -3.480 1.00 0.83 C ATOM 410 CG PRO A 29 19.668 -0.005 -4.619 1.00 0.91 C ATOM 411 CD PRO A 29 20.557 -1.105 -4.029 1.00 0.99 C ATOM 0 HA PRO A 29 18.383 -0.715 -1.626 1.00 0.82 H new ATOM 0 HB2 PRO A 29 17.758 0.712 -3.855 1.00 0.83 H new ATOM 0 HB3 PRO A 29 19.131 1.183 -2.874 1.00 0.83 H new ATOM 0 HG2 PRO A 29 19.117 -0.363 -5.489 1.00 0.91 H new ATOM 0 HG3 PRO A 29 20.259 0.850 -4.946 1.00 0.91 H new ATOM 0 HD2 PRO A 29 20.719 -1.903 -4.754 1.00 0.99 H new ATOM 0 HD3 PRO A 29 21.538 -0.710 -3.765 1.00 0.99 H new ATOM 419 N LEU A 30 16.227 -1.509 -2.586 1.00 0.64 N ATOM 420 CA LEU A 30 14.948 -2.072 -3.022 1.00 0.57 C ATOM 421 C LEU A 30 14.145 -1.027 -3.781 1.00 0.54 C ATOM 422 O LEU A 30 14.136 0.158 -3.465 1.00 0.56 O ATOM 423 CB LEU A 30 14.118 -2.564 -1.823 1.00 0.56 C ATOM 424 CG LEU A 30 14.184 -4.072 -1.488 1.00 0.83 C ATOM 425 CD1 LEU A 30 15.590 -4.679 -1.589 1.00 2.21 C ATOM 426 CD2 LEU A 30 13.571 -4.325 -0.107 1.00 2.32 C ATOM 0 H LEU A 30 16.129 -0.865 -1.801 1.00 0.64 H new ATOM 0 HA LEU A 30 15.166 -2.919 -3.673 1.00 0.57 H new ATOM 0 HB2 LEU A 30 14.436 -2.008 -0.941 1.00 0.56 H new ATOM 0 HB3 LEU A 30 13.075 -2.304 -2.005 1.00 0.56 H new ATOM 0 HG LEU A 30 13.600 -4.584 -2.252 1.00 0.83 H new ATOM 0 HD11 LEU A 30 15.548 -5.739 -1.338 1.00 2.21 H new ATOM 0 HD12 LEU A 30 15.965 -4.561 -2.606 1.00 2.21 H new ATOM 0 HD13 LEU A 30 16.257 -4.168 -0.895 1.00 2.21 H new ATOM 0 HD21 LEU A 30 13.620 -5.389 0.124 1.00 2.32 H new ATOM 0 HD22 LEU A 30 14.126 -3.765 0.646 1.00 2.32 H new ATOM 0 HD23 LEU A 30 12.530 -4.001 -0.106 1.00 2.32 H new ATOM 438 N ARG A 31 13.387 -1.548 -4.734 1.00 0.53 N ATOM 439 CA ARG A 31 12.497 -0.812 -5.635 1.00 0.50 C ATOM 440 C ARG A 31 11.177 -1.560 -5.760 1.00 0.48 C ATOM 441 O ARG A 31 11.123 -2.602 -6.407 1.00 0.50 O ATOM 442 CB ARG A 31 13.167 -0.619 -7.004 1.00 0.51 C ATOM 443 CG ARG A 31 12.244 0.127 -7.982 1.00 0.60 C ATOM 444 CD ARG A 31 12.984 0.850 -9.108 1.00 0.71 C ATOM 445 NE ARG A 31 13.804 -0.049 -9.945 1.00 2.14 N ATOM 446 CZ ARG A 31 15.123 0.026 -10.131 1.00 2.33 C ATOM 447 NH1 ARG A 31 15.909 0.839 -9.459 1.00 1.94 N ATOM 448 NH2 ARG A 31 15.687 -0.745 -11.039 1.00 3.92 N ATOM 0 H ARG A 31 13.372 -2.552 -4.914 1.00 0.53 H new ATOM 0 HA ARG A 31 12.296 0.178 -5.227 1.00 0.50 H new ATOM 0 HB2 ARG A 31 14.095 -0.061 -6.881 1.00 0.51 H new ATOM 0 HB3 ARG A 31 13.432 -1.591 -7.421 1.00 0.51 H new ATOM 0 HG2 ARG A 31 11.544 -0.585 -8.420 1.00 0.60 H new ATOM 0 HG3 ARG A 31 11.653 0.854 -7.425 1.00 0.60 H new ATOM 0 HD2 ARG A 31 12.258 1.361 -9.740 1.00 0.71 H new ATOM 0 HD3 ARG A 31 13.626 1.618 -8.676 1.00 0.71 H new ATOM 0 HE ARG A 31 13.314 -0.801 -10.429 1.00 2.14 H new ATOM 0 HH11 ARG A 31 15.516 1.458 -8.750 1.00 1.94 H new ATOM 0 HH12 ARG A 31 16.911 0.850 -9.647 1.00 1.94 H new ATOM 0 HH21 ARG A 31 15.116 -1.388 -11.588 1.00 3.92 H new ATOM 0 HH22 ARG A 31 16.694 -0.699 -11.193 1.00 3.92 H new ATOM 462 N LEU A 32 10.137 -1.075 -5.098 1.00 0.46 N ATOM 463 CA LEU A 32 8.807 -1.674 -5.010 1.00 0.45 C ATOM 464 C LEU A 32 7.991 -1.245 -6.228 1.00 0.44 C ATOM 465 O LEU A 32 7.646 -0.077 -6.340 1.00 0.49 O ATOM 466 CB LEU A 32 8.240 -1.207 -3.660 1.00 0.52 C ATOM 467 CG LEU A 32 6.786 -1.572 -3.301 1.00 0.66 C ATOM 468 CD1 LEU A 32 6.628 -1.510 -1.773 1.00 2.17 C ATOM 469 CD2 LEU A 32 5.786 -0.602 -3.953 1.00 2.17 C ATOM 0 H LEU A 32 10.199 -0.201 -4.576 1.00 0.46 H new ATOM 0 HA LEU A 32 8.799 -2.764 -5.033 1.00 0.45 H new ATOM 0 HB2 LEU A 32 8.884 -1.605 -2.876 1.00 0.52 H new ATOM 0 HB3 LEU A 32 8.327 -0.121 -3.623 1.00 0.52 H new ATOM 0 HG LEU A 32 6.576 -2.575 -3.673 1.00 0.66 H new ATOM 0 HD11 LEU A 32 5.604 -1.766 -1.502 1.00 2.17 H new ATOM 0 HD12 LEU A 32 7.314 -2.218 -1.307 1.00 2.17 H new ATOM 0 HD13 LEU A 32 6.854 -0.502 -1.424 1.00 2.17 H new ATOM 0 HD21 LEU A 32 4.770 -0.888 -3.679 1.00 2.17 H new ATOM 0 HD22 LEU A 32 5.983 0.412 -3.606 1.00 2.17 H new ATOM 0 HD23 LEU A 32 5.895 -0.642 -5.037 1.00 2.17 H new ATOM 481 N VAL A 33 7.711 -2.176 -7.138 1.00 0.42 N ATOM 482 CA VAL A 33 7.036 -1.918 -8.428 1.00 0.41 C ATOM 483 C VAL A 33 5.578 -2.424 -8.427 1.00 0.41 C ATOM 484 O VAL A 33 4.772 -2.015 -9.258 1.00 0.44 O ATOM 485 CB VAL A 33 7.805 -2.571 -9.610 1.00 0.43 C ATOM 486 CG1 VAL A 33 9.252 -2.046 -9.722 1.00 0.43 C ATOM 487 CG2 VAL A 33 7.899 -4.108 -9.531 1.00 0.47 C ATOM 0 H VAL A 33 7.949 -3.159 -7.004 1.00 0.42 H new ATOM 0 HA VAL A 33 7.028 -0.836 -8.560 1.00 0.41 H new ATOM 0 HB VAL A 33 7.212 -2.292 -10.481 1.00 0.43 H new ATOM 0 HG11 VAL A 33 9.751 -2.530 -10.562 1.00 0.43 H new ATOM 0 HG12 VAL A 33 9.237 -0.968 -9.882 1.00 0.43 H new ATOM 0 HG13 VAL A 33 9.792 -2.269 -8.802 1.00 0.43 H new ATOM 0 HG21 VAL A 33 8.450 -4.484 -10.393 1.00 0.47 H new ATOM 0 HG22 VAL A 33 8.417 -4.394 -8.616 1.00 0.47 H new ATOM 0 HG23 VAL A 33 6.896 -4.534 -9.528 1.00 0.47 H new ATOM 497 N GLY A 34 5.254 -3.361 -7.521 1.00 0.41 N ATOM 498 CA GLY A 34 3.967 -4.056 -7.455 1.00 0.43 C ATOM 499 C GLY A 34 3.676 -4.703 -6.104 1.00 0.42 C ATOM 500 O GLY A 34 4.466 -4.611 -5.162 1.00 0.41 O ATOM 0 H GLY A 34 5.903 -3.662 -6.794 1.00 0.41 H new ATOM 0 HA2 GLY A 34 3.171 -3.347 -7.685 1.00 0.43 H new ATOM 0 HA3 GLY A 34 3.942 -4.825 -8.227 1.00 0.43 H new ATOM 504 N ALA A 35 2.551 -5.412 -6.059 1.00 0.45 N ATOM 505 CA ALA A 35 2.087 -6.246 -4.953 1.00 0.44 C ATOM 506 C ALA A 35 1.208 -7.403 -5.465 1.00 0.44 C ATOM 507 O ALA A 35 1.027 -7.575 -6.672 1.00 0.48 O ATOM 508 CB ALA A 35 1.362 -5.359 -3.929 1.00 0.45 C ATOM 0 H ALA A 35 1.898 -5.420 -6.843 1.00 0.45 H new ATOM 0 HA ALA A 35 2.938 -6.712 -4.456 1.00 0.44 H new ATOM 0 HB1 ALA A 35 1.012 -5.973 -3.099 1.00 0.45 H new ATOM 0 HB2 ALA A 35 2.049 -4.600 -3.554 1.00 0.45 H new ATOM 0 HB3 ALA A 35 0.510 -4.874 -4.406 1.00 0.45 H new ATOM 514 N ARG A 36 0.683 -8.196 -4.535 1.00 0.46 N ATOM 515 CA ARG A 36 -0.313 -9.262 -4.715 1.00 0.46 C ATOM 516 C ARG A 36 -0.998 -9.496 -3.353 1.00 0.48 C ATOM 517 O ARG A 36 -0.511 -9.007 -2.333 1.00 0.57 O ATOM 518 CB ARG A 36 0.409 -10.534 -5.203 1.00 0.54 C ATOM 519 CG ARG A 36 0.146 -11.044 -6.620 1.00 1.11 C ATOM 520 CD ARG A 36 1.141 -12.204 -6.768 1.00 1.69 C ATOM 521 NE ARG A 36 1.078 -12.898 -8.060 1.00 2.61 N ATOM 522 CZ ARG A 36 1.948 -13.840 -8.406 1.00 3.74 C ATOM 523 NH1 ARG A 36 2.966 -14.157 -7.625 1.00 4.33 N ATOM 524 NH2 ARG A 36 1.801 -14.489 -9.542 1.00 4.76 N ATOM 0 H ARG A 36 0.961 -8.107 -3.558 1.00 0.46 H new ATOM 0 HA ARG A 36 -1.067 -8.992 -5.455 1.00 0.46 H new ATOM 0 HB2 ARG A 36 1.481 -10.358 -5.111 1.00 0.54 H new ATOM 0 HB3 ARG A 36 0.158 -11.339 -4.513 1.00 0.54 H new ATOM 0 HG2 ARG A 36 -0.884 -11.379 -6.742 1.00 1.11 H new ATOM 0 HG3 ARG A 36 0.319 -10.268 -7.366 1.00 1.11 H new ATOM 0 HD2 ARG A 36 2.151 -11.820 -6.625 1.00 1.69 H new ATOM 0 HD3 ARG A 36 0.959 -12.926 -5.972 1.00 1.69 H new ATOM 0 HE ARG A 36 0.339 -12.647 -8.716 1.00 2.61 H new ATOM 0 HH11 ARG A 36 3.096 -13.675 -6.736 1.00 4.33 H new ATOM 0 HH12 ARG A 36 3.622 -14.884 -7.912 1.00 4.33 H new ATOM 0 HH21 ARG A 36 1.018 -14.269 -10.158 1.00 4.76 H new ATOM 0 HH22 ARG A 36 2.470 -15.212 -9.806 1.00 4.76 H new ATOM 538 N THR A 37 -2.075 -10.289 -3.291 1.00 0.46 N ATOM 539 CA THR A 37 -2.764 -10.702 -2.045 1.00 0.46 C ATOM 540 C THR A 37 -3.849 -11.734 -2.354 1.00 0.46 C ATOM 541 O THR A 37 -4.441 -11.646 -3.428 1.00 0.50 O ATOM 542 CB THR A 37 -3.336 -9.502 -1.263 1.00 0.49 C ATOM 543 OG1 THR A 37 -4.237 -9.926 -0.274 1.00 0.58 O ATOM 544 CG2 THR A 37 -4.098 -8.484 -2.110 1.00 0.51 C ATOM 0 H THR A 37 -2.510 -10.677 -4.128 1.00 0.46 H new ATOM 0 HA THR A 37 -2.019 -11.164 -1.397 1.00 0.46 H new ATOM 0 HB THR A 37 -2.447 -9.024 -0.851 1.00 0.49 H new ATOM 0 HG1 THR A 37 -3.772 -9.991 0.586 1.00 0.58 H new ATOM 0 HG21 THR A 37 -4.461 -7.679 -1.472 1.00 0.51 H new ATOM 0 HG22 THR A 37 -3.434 -8.073 -2.870 1.00 0.51 H new ATOM 0 HG23 THR A 37 -4.944 -8.973 -2.593 1.00 0.51 H new ATOM 552 N PRO A 38 -4.160 -12.663 -1.429 1.00 0.53 N ATOM 553 CA PRO A 38 -5.284 -13.582 -1.579 1.00 0.55 C ATOM 554 C PRO A 38 -6.656 -12.904 -1.522 1.00 0.58 C ATOM 555 O PRO A 38 -7.648 -13.567 -1.804 1.00 0.72 O ATOM 556 CB PRO A 38 -5.114 -14.596 -0.451 1.00 0.63 C ATOM 557 CG PRO A 38 -4.360 -13.841 0.638 1.00 0.71 C ATOM 558 CD PRO A 38 -3.463 -12.912 -0.172 1.00 0.69 C ATOM 0 HA PRO A 38 -5.268 -14.041 -2.568 1.00 0.55 H new ATOM 0 HB2 PRO A 38 -6.079 -14.952 -0.090 1.00 0.63 H new ATOM 0 HB3 PRO A 38 -4.556 -15.471 -0.785 1.00 0.63 H new ATOM 0 HG2 PRO A 38 -5.035 -13.287 1.291 1.00 0.71 H new ATOM 0 HG3 PRO A 38 -3.782 -14.513 1.273 1.00 0.71 H new ATOM 0 HD2 PRO A 38 -3.283 -11.980 0.364 1.00 0.69 H new ATOM 0 HD3 PRO A 38 -2.490 -13.370 -0.351 1.00 0.69 H new ATOM 566 N VAL A 39 -6.719 -11.612 -1.184 1.00 0.55 N ATOM 567 CA VAL A 39 -7.958 -10.800 -1.196 1.00 0.57 C ATOM 568 C VAL A 39 -7.893 -9.603 -2.165 1.00 0.57 C ATOM 569 O VAL A 39 -8.269 -8.484 -1.825 1.00 0.73 O ATOM 570 CB VAL A 39 -8.446 -10.400 0.218 1.00 0.62 C ATOM 571 CG1 VAL A 39 -8.903 -11.643 0.994 1.00 0.70 C ATOM 572 CG2 VAL A 39 -7.385 -9.647 1.028 1.00 0.68 C ATOM 0 H VAL A 39 -5.899 -11.083 -0.887 1.00 0.55 H new ATOM 0 HA VAL A 39 -8.726 -11.463 -1.595 1.00 0.57 H new ATOM 0 HB VAL A 39 -9.285 -9.718 0.075 1.00 0.62 H new ATOM 0 HG11 VAL A 39 -9.244 -11.348 1.986 1.00 0.70 H new ATOM 0 HG12 VAL A 39 -9.720 -12.126 0.459 1.00 0.70 H new ATOM 0 HG13 VAL A 39 -8.070 -12.339 1.089 1.00 0.70 H new ATOM 0 HG21 VAL A 39 -7.788 -9.394 2.009 1.00 0.68 H new ATOM 0 HG22 VAL A 39 -6.504 -10.277 1.149 1.00 0.68 H new ATOM 0 HG23 VAL A 39 -7.108 -8.733 0.503 1.00 0.68 H new ATOM 582 N ALA A 40 -7.480 -9.853 -3.413 1.00 0.50 N ATOM 583 CA ALA A 40 -7.711 -8.965 -4.565 1.00 0.49 C ATOM 584 C ALA A 40 -7.536 -9.733 -5.888 1.00 0.60 C ATOM 585 O ALA A 40 -6.739 -10.665 -5.955 1.00 0.87 O ATOM 586 CB ALA A 40 -6.747 -7.767 -4.527 1.00 0.56 C ATOM 0 H ALA A 40 -6.963 -10.698 -3.659 1.00 0.50 H new ATOM 0 HA ALA A 40 -8.735 -8.596 -4.505 1.00 0.49 H new ATOM 0 HB1 ALA A 40 -6.933 -7.123 -5.386 1.00 0.56 H new ATOM 0 HB2 ALA A 40 -6.905 -7.202 -3.609 1.00 0.56 H new ATOM 0 HB3 ALA A 40 -5.718 -8.126 -4.559 1.00 0.56 H new ATOM 592 N GLU A 41 -8.235 -9.312 -6.943 1.00 0.60 N ATOM 593 CA GLU A 41 -8.049 -9.775 -8.330 1.00 0.75 C ATOM 594 C GLU A 41 -7.126 -8.832 -9.135 1.00 0.73 C ATOM 595 O GLU A 41 -6.393 -9.258 -10.022 1.00 1.01 O ATOM 596 CB GLU A 41 -9.432 -9.870 -9.009 1.00 0.94 C ATOM 597 CG GLU A 41 -9.549 -11.030 -10.004 1.00 1.35 C ATOM 598 CD GLU A 41 -9.651 -12.365 -9.267 1.00 2.24 C ATOM 599 OE1 GLU A 41 -10.677 -12.607 -8.592 1.00 3.35 O ATOM 600 OE2 GLU A 41 -8.660 -13.129 -9.241 1.00 2.97 O ATOM 0 H GLU A 41 -8.974 -8.614 -6.858 1.00 0.60 H new ATOM 0 HA GLU A 41 -7.567 -10.753 -8.308 1.00 0.75 H new ATOM 0 HB2 GLU A 41 -10.197 -9.982 -8.241 1.00 0.94 H new ATOM 0 HB3 GLU A 41 -9.637 -8.934 -9.529 1.00 0.94 H new ATOM 0 HG2 GLU A 41 -10.427 -10.888 -10.634 1.00 1.35 H new ATOM 0 HG3 GLU A 41 -8.682 -11.039 -10.664 1.00 1.35 H new ATOM 607 N ARG A 42 -7.133 -7.531 -8.809 1.00 0.60 N ATOM 608 CA ARG A 42 -6.212 -6.515 -9.326 1.00 0.62 C ATOM 609 C ARG A 42 -5.688 -5.679 -8.156 1.00 0.54 C ATOM 610 O ARG A 42 -6.445 -5.325 -7.252 1.00 0.68 O ATOM 611 CB ARG A 42 -6.913 -5.584 -10.333 1.00 0.82 C ATOM 612 CG ARG A 42 -7.293 -6.254 -11.664 1.00 1.33 C ATOM 613 CD ARG A 42 -8.066 -5.311 -12.607 1.00 1.77 C ATOM 614 NE ARG A 42 -7.228 -4.239 -13.187 1.00 2.53 N ATOM 615 CZ ARG A 42 -7.067 -3.000 -12.723 1.00 3.69 C ATOM 616 NH1 ARG A 42 -7.677 -2.544 -11.656 1.00 4.31 N ATOM 617 NH2 ARG A 42 -6.261 -2.147 -13.311 1.00 5.11 N ATOM 0 H ARG A 42 -7.810 -7.145 -8.151 1.00 0.60 H new ATOM 0 HA ARG A 42 -5.393 -7.020 -9.838 1.00 0.62 H new ATOM 0 HB2 ARG A 42 -7.816 -5.184 -9.871 1.00 0.82 H new ATOM 0 HB3 ARG A 42 -6.260 -4.737 -10.541 1.00 0.82 H new ATOM 0 HG2 ARG A 42 -6.388 -6.598 -12.164 1.00 1.33 H new ATOM 0 HG3 ARG A 42 -7.900 -7.136 -11.461 1.00 1.33 H new ATOM 0 HD2 ARG A 42 -8.503 -5.897 -13.415 1.00 1.77 H new ATOM 0 HD3 ARG A 42 -8.892 -4.859 -12.058 1.00 1.77 H new ATOM 0 HE ARG A 42 -6.716 -4.474 -14.037 1.00 2.53 H new ATOM 0 HH11 ARG A 42 -8.313 -3.148 -11.135 1.00 4.31 H new ATOM 0 HH12 ARG A 42 -7.515 -1.586 -11.347 1.00 4.31 H new ATOM 0 HH21 ARG A 42 -5.741 -2.427 -14.142 1.00 5.11 H new ATOM 0 HH22 ARG A 42 -6.155 -1.204 -12.936 1.00 5.11 H new ATOM 631 N VAL A 43 -4.408 -5.327 -8.213 1.00 0.57 N ATOM 632 CA VAL A 43 -3.762 -4.342 -7.336 1.00 0.55 C ATOM 633 C VAL A 43 -3.081 -3.265 -8.188 1.00 0.72 C ATOM 634 O VAL A 43 -2.635 -3.560 -9.298 1.00 1.15 O ATOM 635 CB VAL A 43 -2.776 -5.010 -6.347 1.00 0.57 C ATOM 636 CG1 VAL A 43 -1.459 -5.461 -6.999 1.00 0.77 C ATOM 637 CG2 VAL A 43 -2.456 -4.118 -5.138 1.00 0.64 C ATOM 0 H VAL A 43 -3.764 -5.731 -8.893 1.00 0.57 H new ATOM 0 HA VAL A 43 -4.527 -3.865 -6.723 1.00 0.55 H new ATOM 0 HB VAL A 43 -3.306 -5.899 -6.006 1.00 0.57 H new ATOM 0 HG11 VAL A 43 -0.818 -5.920 -6.246 1.00 0.77 H new ATOM 0 HG12 VAL A 43 -1.672 -6.186 -7.785 1.00 0.77 H new ATOM 0 HG13 VAL A 43 -0.952 -4.598 -7.430 1.00 0.77 H new ATOM 0 HG21 VAL A 43 -1.760 -4.636 -4.478 1.00 0.64 H new ATOM 0 HG22 VAL A 43 -2.005 -3.187 -5.482 1.00 0.64 H new ATOM 0 HG23 VAL A 43 -3.375 -3.897 -4.595 1.00 0.64 H new ATOM 647 N GLU A 44 -3.020 -2.037 -7.673 1.00 0.49 N ATOM 648 CA GLU A 44 -2.391 -0.862 -8.284 1.00 0.48 C ATOM 649 C GLU A 44 -1.604 -0.085 -7.222 1.00 0.46 C ATOM 650 O GLU A 44 -1.967 -0.103 -6.047 1.00 0.64 O ATOM 651 CB GLU A 44 -3.465 0.073 -8.864 1.00 0.62 C ATOM 652 CG GLU A 44 -4.191 -0.516 -10.080 1.00 1.12 C ATOM 653 CD GLU A 44 -5.424 0.296 -10.483 1.00 1.91 C ATOM 654 OE1 GLU A 44 -5.545 1.460 -10.043 1.00 2.83 O ATOM 655 OE2 GLU A 44 -6.244 -0.270 -11.246 1.00 2.87 O ATOM 0 H GLU A 44 -3.432 -1.821 -6.765 1.00 0.49 H new ATOM 0 HA GLU A 44 -1.725 -1.202 -9.077 1.00 0.48 H new ATOM 0 HB2 GLU A 44 -4.196 0.300 -8.088 1.00 0.62 H new ATOM 0 HB3 GLU A 44 -3.000 1.016 -9.149 1.00 0.62 H new ATOM 0 HG2 GLU A 44 -3.501 -0.563 -10.922 1.00 1.12 H new ATOM 0 HG3 GLU A 44 -4.492 -1.540 -9.857 1.00 1.12 H new ATOM 662 N LEU A 45 -0.542 0.620 -7.623 1.00 0.53 N ATOM 663 CA LEU A 45 0.298 1.407 -6.713 1.00 0.59 C ATOM 664 C LEU A 45 0.001 2.904 -6.865 1.00 0.48 C ATOM 665 O LEU A 45 0.190 3.467 -7.948 1.00 0.48 O ATOM 666 CB LEU A 45 1.766 1.061 -7.009 1.00 0.92 C ATOM 667 CG LEU A 45 2.783 1.810 -6.129 1.00 0.48 C ATOM 668 CD1 LEU A 45 2.681 1.475 -4.638 1.00 0.80 C ATOM 669 CD2 LEU A 45 4.186 1.466 -6.627 1.00 1.07 C ATOM 0 H LEU A 45 -0.238 0.661 -8.596 1.00 0.53 H new ATOM 0 HA LEU A 45 0.082 1.162 -5.673 1.00 0.59 H new ATOM 0 HB2 LEU A 45 1.908 -0.011 -6.876 1.00 0.92 H new ATOM 0 HB3 LEU A 45 1.976 1.283 -8.055 1.00 0.92 H new ATOM 0 HG LEU A 45 2.565 2.874 -6.216 1.00 0.48 H new ATOM 0 HD11 LEU A 45 3.430 2.042 -4.086 1.00 0.80 H new ATOM 0 HD12 LEU A 45 1.687 1.735 -4.274 1.00 0.80 H new ATOM 0 HD13 LEU A 45 2.853 0.409 -4.492 1.00 0.80 H new ATOM 0 HD21 LEU A 45 4.926 1.986 -6.018 1.00 1.07 H new ATOM 0 HD22 LEU A 45 4.345 0.390 -6.552 1.00 1.07 H new ATOM 0 HD23 LEU A 45 4.289 1.776 -7.667 1.00 1.07 H new ATOM 681 N HIS A 46 -0.464 3.556 -5.796 1.00 0.46 N ATOM 682 CA HIS A 46 -0.904 4.954 -5.806 1.00 0.43 C ATOM 683 C HIS A 46 -0.184 5.845 -4.768 1.00 0.40 C ATOM 684 O HIS A 46 0.133 5.447 -3.641 1.00 0.46 O ATOM 685 CB HIS A 46 -2.421 5.023 -5.530 1.00 0.48 C ATOM 686 CG HIS A 46 -3.404 4.426 -6.513 1.00 0.51 C ATOM 687 ND1 HIS A 46 -4.764 4.340 -6.262 1.00 0.53 N ATOM 688 CD2 HIS A 46 -3.182 3.857 -7.736 1.00 0.54 C ATOM 689 CE1 HIS A 46 -5.329 3.700 -7.284 1.00 0.58 C ATOM 690 NE2 HIS A 46 -4.403 3.390 -8.204 1.00 0.59 N ATOM 0 H HIS A 46 -0.547 3.117 -4.879 1.00 0.46 H new ATOM 0 HA HIS A 46 -0.654 5.338 -6.795 1.00 0.43 H new ATOM 0 HB2 HIS A 46 -2.596 4.543 -4.567 1.00 0.48 H new ATOM 0 HB3 HIS A 46 -2.680 6.075 -5.413 1.00 0.48 H new ATOM 0 HD2 HIS A 46 -2.232 3.784 -8.244 1.00 0.54 H new ATOM 0 HE1 HIS A 46 -6.380 3.465 -7.361 1.00 0.58 H new ATOM 0 HE2 HIS A 46 -4.566 2.902 -9.085 1.00 0.59 H new ATOM 698 N GLU A 47 -0.047 7.110 -5.148 1.00 0.42 N ATOM 699 CA GLU A 47 0.257 8.233 -4.262 1.00 0.45 C ATOM 700 C GLU A 47 -1.028 8.868 -3.692 1.00 0.45 C ATOM 701 O GLU A 47 -2.154 8.502 -4.052 1.00 0.64 O ATOM 702 CB GLU A 47 1.124 9.256 -5.012 1.00 0.57 C ATOM 703 CG GLU A 47 0.372 9.990 -6.137 1.00 0.77 C ATOM 704 CD GLU A 47 1.059 11.264 -6.628 1.00 1.13 C ATOM 705 OE1 GLU A 47 1.329 12.129 -5.768 1.00 1.94 O ATOM 706 OE2 GLU A 47 1.166 11.406 -7.867 1.00 2.46 O ATOM 0 H GLU A 47 -0.148 7.396 -6.122 1.00 0.42 H new ATOM 0 HA GLU A 47 0.821 7.867 -3.404 1.00 0.45 H new ATOM 0 HB2 GLU A 47 1.504 9.990 -4.301 1.00 0.57 H new ATOM 0 HB3 GLU A 47 1.989 8.746 -5.436 1.00 0.57 H new ATOM 0 HG2 GLU A 47 0.250 9.310 -6.980 1.00 0.77 H new ATOM 0 HG3 GLU A 47 -0.628 10.244 -5.784 1.00 0.77 H new ATOM 713 N THR A 48 -0.884 9.858 -2.809 1.00 0.53 N ATOM 714 CA THR A 48 -1.958 10.665 -2.219 1.00 0.44 C ATOM 715 C THR A 48 -1.304 11.983 -1.821 1.00 0.44 C ATOM 716 O THR A 48 -0.199 11.962 -1.293 1.00 0.49 O ATOM 717 CB THR A 48 -2.535 9.946 -0.999 1.00 0.60 C ATOM 718 OG1 THR A 48 -3.105 8.755 -1.475 1.00 0.80 O ATOM 719 CG2 THR A 48 -3.634 10.729 -0.286 1.00 0.71 C ATOM 0 H THR A 48 0.036 10.135 -2.466 1.00 0.53 H new ATOM 0 HA THR A 48 -2.784 10.829 -2.911 1.00 0.44 H new ATOM 0 HB THR A 48 -1.730 9.801 -0.279 1.00 0.60 H new ATOM 0 HG1 THR A 48 -2.671 7.989 -1.044 1.00 0.80 H new ATOM 0 HG21 THR A 48 -3.994 10.155 0.568 1.00 0.71 H new ATOM 0 HG22 THR A 48 -3.236 11.683 0.059 1.00 0.71 H new ATOM 0 HG23 THR A 48 -4.459 10.909 -0.976 1.00 0.71 H new ATOM 727 N PHE A 49 -1.943 13.118 -2.087 1.00 0.50 N ATOM 728 CA PHE A 49 -1.268 14.414 -2.000 1.00 0.60 C ATOM 729 C PHE A 49 -2.182 15.569 -1.608 1.00 0.60 C ATOM 730 O PHE A 49 -3.404 15.534 -1.751 1.00 0.51 O ATOM 731 CB PHE A 49 -0.557 14.721 -3.328 1.00 0.68 C ATOM 732 CG PHE A 49 -1.467 14.745 -4.541 1.00 0.66 C ATOM 733 CD1 PHE A 49 -2.211 15.899 -4.842 1.00 1.91 C ATOM 734 CD2 PHE A 49 -1.581 13.612 -5.366 1.00 1.98 C ATOM 735 CE1 PHE A 49 -3.051 15.929 -5.967 1.00 1.92 C ATOM 736 CE2 PHE A 49 -2.399 13.649 -6.508 1.00 2.01 C ATOM 737 CZ PHE A 49 -3.124 14.813 -6.818 1.00 0.78 C ATOM 0 H PHE A 49 -2.923 13.170 -2.364 1.00 0.50 H new ATOM 0 HA PHE A 49 -0.542 14.326 -1.192 1.00 0.60 H new ATOM 0 HB2 PHE A 49 -0.060 15.687 -3.244 1.00 0.68 H new ATOM 0 HB3 PHE A 49 0.221 13.975 -3.489 1.00 0.68 H new ATOM 0 HD1 PHE A 49 -2.136 16.768 -4.204 1.00 1.91 H new ATOM 0 HD2 PHE A 49 -1.038 12.711 -5.121 1.00 1.98 H new ATOM 0 HE1 PHE A 49 -3.640 16.809 -6.178 1.00 1.92 H new ATOM 0 HE2 PHE A 49 -2.471 12.782 -7.148 1.00 2.01 H new ATOM 0 HZ PHE A 49 -3.735 14.849 -7.708 1.00 0.78 H new ATOM 747 N MET A 50 -1.543 16.644 -1.154 1.00 0.84 N ATOM 748 CA MET A 50 -2.178 17.929 -0.859 1.00 0.95 C ATOM 749 C MET A 50 -2.231 18.809 -2.121 1.00 0.89 C ATOM 750 O MET A 50 -1.245 18.888 -2.852 1.00 0.87 O ATOM 751 CB MET A 50 -1.379 18.606 0.268 1.00 1.11 C ATOM 752 CG MET A 50 -2.290 19.175 1.354 1.00 1.91 C ATOM 753 SD MET A 50 -3.432 20.470 0.813 1.00 2.81 S ATOM 754 CE MET A 50 -2.311 21.892 0.763 1.00 3.61 C ATOM 0 H MET A 50 -0.539 16.647 -0.975 1.00 0.84 H new ATOM 0 HA MET A 50 -3.208 17.779 -0.535 1.00 0.95 H new ATOM 0 HB2 MET A 50 -0.694 17.883 0.711 1.00 1.11 H new ATOM 0 HB3 MET A 50 -0.770 19.407 -0.150 1.00 1.11 H new ATOM 0 HG2 MET A 50 -2.871 18.358 1.781 1.00 1.91 H new ATOM 0 HG3 MET A 50 -1.667 19.575 2.154 1.00 1.91 H new ATOM 0 HE1 MET A 50 -2.648 22.646 1.474 1.00 3.61 H new ATOM 0 HE2 MET A 50 -1.303 21.570 1.026 1.00 3.61 H new ATOM 0 HE3 MET A 50 -2.306 22.317 -0.241 1.00 3.61 H new ATOM 764 N ARG A 51 -3.361 19.475 -2.393 1.00 0.93 N ATOM 765 CA ARG A 51 -3.531 20.299 -3.601 1.00 0.89 C ATOM 766 C ARG A 51 -4.573 21.405 -3.448 1.00 0.87 C ATOM 767 O ARG A 51 -5.648 21.217 -2.890 1.00 0.93 O ATOM 768 CB ARG A 51 -3.887 19.414 -4.812 1.00 0.99 C ATOM 769 CG ARG A 51 -2.962 19.641 -6.024 1.00 1.27 C ATOM 770 CD ARG A 51 -3.534 20.684 -6.982 1.00 1.92 C ATOM 771 NE ARG A 51 -2.521 21.118 -7.956 1.00 2.95 N ATOM 772 CZ ARG A 51 -2.512 22.272 -8.619 1.00 3.88 C ATOM 773 NH1 ARG A 51 -3.449 23.187 -8.456 1.00 4.28 N ATOM 774 NH2 ARG A 51 -1.538 22.532 -9.467 1.00 4.93 N ATOM 0 H ARG A 51 -4.181 19.459 -1.786 1.00 0.93 H new ATOM 0 HA ARG A 51 -2.572 20.791 -3.764 1.00 0.89 H new ATOM 0 HB2 ARG A 51 -3.836 18.366 -4.515 1.00 0.99 H new ATOM 0 HB3 ARG A 51 -4.917 19.612 -5.108 1.00 0.99 H new ATOM 0 HG2 ARG A 51 -1.980 19.964 -5.677 1.00 1.27 H new ATOM 0 HG3 ARG A 51 -2.819 18.699 -6.554 1.00 1.27 H new ATOM 0 HD2 ARG A 51 -4.394 20.268 -7.507 1.00 1.92 H new ATOM 0 HD3 ARG A 51 -3.892 21.544 -6.417 1.00 1.92 H new ATOM 0 HE ARG A 51 -1.752 20.473 -8.141 1.00 2.95 H new ATOM 0 HH11 ARG A 51 -4.215 23.022 -7.803 1.00 4.28 H new ATOM 0 HH12 ARG A 51 -3.407 24.059 -8.983 1.00 4.28 H new ATOM 0 HH21 ARG A 51 -0.794 21.850 -9.614 1.00 4.93 H new ATOM 0 HH22 ARG A 51 -1.528 23.415 -9.977 1.00 4.93 H new ATOM 788 N GLU A 52 -4.288 22.544 -4.057 1.00 0.95 N ATOM 789 CA GLU A 52 -5.176 23.682 -4.178 1.00 0.97 C ATOM 790 C GLU A 52 -6.023 23.606 -5.458 1.00 1.00 C ATOM 791 O GLU A 52 -5.472 23.413 -6.543 1.00 1.02 O ATOM 792 CB GLU A 52 -4.300 24.944 -4.180 1.00 1.10 C ATOM 793 CG GLU A 52 -4.775 25.926 -3.124 1.00 1.65 C ATOM 794 CD GLU A 52 -4.627 25.433 -1.683 1.00 2.05 C ATOM 795 OE1 GLU A 52 -3.762 24.582 -1.382 1.00 3.07 O ATOM 796 OE2 GLU A 52 -5.390 25.919 -0.824 1.00 2.53 O ATOM 0 H GLU A 52 -3.384 22.705 -4.502 1.00 0.95 H new ATOM 0 HA GLU A 52 -5.878 23.697 -3.344 1.00 0.97 H new ATOM 0 HB2 GLU A 52 -3.261 24.673 -3.991 1.00 1.10 H new ATOM 0 HB3 GLU A 52 -4.333 25.414 -5.163 1.00 1.10 H new ATOM 0 HG2 GLU A 52 -4.218 26.856 -3.235 1.00 1.65 H new ATOM 0 HG3 GLU A 52 -5.824 26.159 -3.309 1.00 1.65 H new ATOM 803 N VAL A 53 -7.337 23.799 -5.335 1.00 1.14 N ATOM 804 CA VAL A 53 -8.295 23.980 -6.441 1.00 1.30 C ATOM 805 C VAL A 53 -9.309 25.040 -5.996 1.00 1.54 C ATOM 806 O VAL A 53 -9.736 25.016 -4.847 1.00 1.85 O ATOM 807 CB VAL A 53 -9.016 22.655 -6.805 1.00 1.45 C ATOM 808 CG1 VAL A 53 -10.003 22.859 -7.968 1.00 1.74 C ATOM 809 CG2 VAL A 53 -8.025 21.545 -7.208 1.00 2.13 C ATOM 0 H VAL A 53 -7.789 23.836 -4.422 1.00 1.14 H new ATOM 0 HA VAL A 53 -7.764 24.298 -7.339 1.00 1.30 H new ATOM 0 HB VAL A 53 -9.551 22.349 -5.906 1.00 1.45 H new ATOM 0 HG11 VAL A 53 -10.493 21.913 -8.200 1.00 1.74 H new ATOM 0 HG12 VAL A 53 -10.754 23.596 -7.683 1.00 1.74 H new ATOM 0 HG13 VAL A 53 -9.463 23.213 -8.846 1.00 1.74 H new ATOM 0 HG21 VAL A 53 -8.576 20.637 -7.454 1.00 2.13 H new ATOM 0 HG22 VAL A 53 -7.451 21.868 -8.077 1.00 2.13 H new ATOM 0 HG23 VAL A 53 -7.347 21.344 -6.379 1.00 2.13 H new ATOM 819 N GLU A 54 -9.637 26.007 -6.863 1.00 1.68 N ATOM 820 CA GLU A 54 -10.539 27.140 -6.558 1.00 1.91 C ATOM 821 C GLU A 54 -9.967 28.112 -5.491 1.00 1.74 C ATOM 822 O GLU A 54 -10.703 28.874 -4.871 1.00 1.88 O ATOM 823 CB GLU A 54 -11.939 26.627 -6.150 1.00 2.18 C ATOM 824 CG GLU A 54 -13.075 27.583 -6.554 1.00 2.58 C ATOM 825 CD GLU A 54 -14.262 27.511 -5.593 1.00 3.11 C ATOM 826 OE1 GLU A 54 -14.493 26.450 -4.963 1.00 3.56 O ATOM 827 OE2 GLU A 54 -14.891 28.561 -5.334 1.00 3.92 O ATOM 0 H GLU A 54 -9.278 26.030 -7.818 1.00 1.68 H new ATOM 0 HA GLU A 54 -10.628 27.721 -7.476 1.00 1.91 H new ATOM 0 HB2 GLU A 54 -12.111 25.654 -6.610 1.00 2.18 H new ATOM 0 HB3 GLU A 54 -11.964 26.478 -5.070 1.00 2.18 H new ATOM 0 HG2 GLU A 54 -12.695 28.604 -6.583 1.00 2.58 H new ATOM 0 HG3 GLU A 54 -13.411 27.339 -7.562 1.00 2.58 H new ATOM 834 N GLY A 55 -8.653 28.047 -5.227 1.00 1.51 N ATOM 835 CA GLY A 55 -7.996 28.772 -4.125 1.00 1.42 C ATOM 836 C GLY A 55 -8.178 28.098 -2.758 1.00 1.27 C ATOM 837 O GLY A 55 -8.055 28.752 -1.728 1.00 1.37 O ATOM 0 H GLY A 55 -8.007 27.483 -5.779 1.00 1.51 H new ATOM 0 HA2 GLY A 55 -6.931 28.858 -4.341 1.00 1.42 H new ATOM 0 HA3 GLY A 55 -8.395 29.785 -4.078 1.00 1.42 H new ATOM 841 N LYS A 56 -8.490 26.797 -2.749 1.00 1.23 N ATOM 842 CA LYS A 56 -8.901 26.019 -1.587 1.00 1.27 C ATOM 843 C LYS A 56 -8.228 24.639 -1.623 1.00 1.13 C ATOM 844 O LYS A 56 -8.185 23.953 -2.648 1.00 1.05 O ATOM 845 CB LYS A 56 -10.436 25.849 -1.581 1.00 1.47 C ATOM 846 CG LYS A 56 -11.226 27.167 -1.666 1.00 1.74 C ATOM 847 CD LYS A 56 -12.721 26.907 -1.881 1.00 2.01 C ATOM 848 CE LYS A 56 -13.415 28.208 -2.298 1.00 2.73 C ATOM 849 NZ LYS A 56 -14.805 27.960 -2.738 1.00 3.29 N ATOM 0 H LYS A 56 -8.459 26.234 -3.599 1.00 1.23 H new ATOM 0 HA LYS A 56 -8.598 26.545 -0.682 1.00 1.27 H new ATOM 0 HB2 LYS A 56 -10.722 25.215 -2.420 1.00 1.47 H new ATOM 0 HB3 LYS A 56 -10.727 25.324 -0.671 1.00 1.47 H new ATOM 0 HG2 LYS A 56 -11.082 27.739 -0.750 1.00 1.74 H new ATOM 0 HG3 LYS A 56 -10.839 27.774 -2.485 1.00 1.74 H new ATOM 0 HD2 LYS A 56 -12.861 26.146 -2.649 1.00 2.01 H new ATOM 0 HD3 LYS A 56 -13.169 26.522 -0.965 1.00 2.01 H new ATOM 0 HE2 LYS A 56 -13.416 28.906 -1.461 1.00 2.73 H new ATOM 0 HE3 LYS A 56 -12.854 28.679 -3.106 1.00 2.73 H new ATOM 0 HZ1 LYS A 56 -15.098 28.707 -3.400 1.00 3.29 H new ATOM 0 HZ2 LYS A 56 -14.859 27.036 -3.213 1.00 3.29 H new ATOM 0 HZ3 LYS A 56 -15.436 27.962 -1.912 1.00 3.29 H new ATOM 863 N LYS A 57 -7.677 24.234 -0.490 1.00 1.17 N ATOM 864 CA LYS A 57 -6.963 22.974 -0.307 1.00 1.12 C ATOM 865 C LYS A 57 -7.890 21.755 -0.199 1.00 1.06 C ATOM 866 O LYS A 57 -8.650 21.625 0.753 1.00 1.28 O ATOM 867 CB LYS A 57 -5.971 23.071 0.862 1.00 1.31 C ATOM 868 CG LYS A 57 -6.409 23.824 2.130 1.00 1.87 C ATOM 869 CD LYS A 57 -5.202 24.138 3.035 1.00 2.77 C ATOM 870 CE LYS A 57 -4.497 25.477 2.727 1.00 3.36 C ATOM 871 NZ LYS A 57 -3.888 25.554 1.372 1.00 4.14 N ATOM 0 H LYS A 57 -7.715 24.793 0.362 1.00 1.17 H new ATOM 0 HA LYS A 57 -6.387 22.804 -1.216 1.00 1.12 H new ATOM 0 HB2 LYS A 57 -5.702 22.056 1.154 1.00 1.31 H new ATOM 0 HB3 LYS A 57 -5.064 23.547 0.490 1.00 1.31 H new ATOM 0 HG2 LYS A 57 -6.909 24.751 1.851 1.00 1.87 H new ATOM 0 HG3 LYS A 57 -7.134 23.224 2.681 1.00 1.87 H new ATOM 0 HD2 LYS A 57 -5.536 24.149 4.073 1.00 2.77 H new ATOM 0 HD3 LYS A 57 -4.476 23.331 2.942 1.00 2.77 H new ATOM 0 HE2 LYS A 57 -5.219 26.287 2.834 1.00 3.36 H new ATOM 0 HE3 LYS A 57 -3.719 25.643 3.472 1.00 3.36 H new ATOM 0 HZ1 LYS A 57 -3.180 26.316 1.352 1.00 4.14 H new ATOM 0 HZ2 LYS A 57 -3.429 24.649 1.146 1.00 4.14 H new ATOM 0 HZ3 LYS A 57 -4.629 25.752 0.669 1.00 4.14 H new ATOM 885 N VAL A 58 -7.752 20.851 -1.161 1.00 0.93 N ATOM 886 CA VAL A 58 -8.333 19.515 -1.247 1.00 0.95 C ATOM 887 C VAL A 58 -7.203 18.475 -1.254 1.00 0.87 C ATOM 888 O VAL A 58 -6.023 18.828 -1.308 1.00 0.98 O ATOM 889 CB VAL A 58 -9.197 19.395 -2.524 1.00 1.06 C ATOM 890 CG1 VAL A 58 -10.472 20.248 -2.412 1.00 2.15 C ATOM 891 CG2 VAL A 58 -8.445 19.761 -3.820 1.00 1.86 C ATOM 0 H VAL A 58 -7.176 21.053 -1.978 1.00 0.93 H new ATOM 0 HA VAL A 58 -8.976 19.335 -0.385 1.00 0.95 H new ATOM 0 HB VAL A 58 -9.461 18.340 -2.595 1.00 1.06 H new ATOM 0 HG11 VAL A 58 -11.060 20.144 -3.324 1.00 2.15 H new ATOM 0 HG12 VAL A 58 -11.062 19.911 -1.559 1.00 2.15 H new ATOM 0 HG13 VAL A 58 -10.199 21.294 -2.273 1.00 2.15 H new ATOM 0 HG21 VAL A 58 -9.115 19.653 -4.673 1.00 1.86 H new ATOM 0 HG22 VAL A 58 -8.098 20.792 -3.760 1.00 1.86 H new ATOM 0 HG23 VAL A 58 -7.590 19.097 -3.944 1.00 1.86 H new ATOM 901 N MET A 59 -7.551 17.188 -1.206 1.00 0.80 N ATOM 902 CA MET A 59 -6.597 16.082 -1.260 1.00 0.75 C ATOM 903 C MET A 59 -6.853 15.234 -2.507 1.00 0.73 C ATOM 904 O MET A 59 -7.989 14.853 -2.778 1.00 1.19 O ATOM 905 CB MET A 59 -6.668 15.233 0.020 1.00 0.83 C ATOM 906 CG MET A 59 -6.287 16.030 1.278 1.00 0.99 C ATOM 907 SD MET A 59 -7.618 17.027 2.009 1.00 2.42 S ATOM 908 CE MET A 59 -6.796 18.635 2.160 1.00 3.16 C ATOM 0 H MET A 59 -8.521 16.881 -1.127 1.00 0.80 H new ATOM 0 HA MET A 59 -5.588 16.489 -1.323 1.00 0.75 H new ATOM 0 HB2 MET A 59 -7.678 14.840 0.135 1.00 0.83 H new ATOM 0 HB3 MET A 59 -6.001 14.376 -0.079 1.00 0.83 H new ATOM 0 HG2 MET A 59 -5.924 15.332 2.032 1.00 0.99 H new ATOM 0 HG3 MET A 59 -5.457 16.691 1.030 1.00 0.99 H new ATOM 0 HE1 MET A 59 -7.532 19.432 2.053 1.00 3.16 H new ATOM 0 HE2 MET A 59 -6.320 18.710 3.138 1.00 3.16 H new ATOM 0 HE3 MET A 59 -6.040 18.732 1.380 1.00 3.16 H new ATOM 918 N GLY A 60 -5.796 14.953 -3.274 1.00 0.47 N ATOM 919 CA GLY A 60 -5.851 14.167 -4.513 1.00 0.52 C ATOM 920 C GLY A 60 -5.143 12.817 -4.404 1.00 0.43 C ATOM 921 O GLY A 60 -4.483 12.515 -3.415 1.00 0.44 O ATOM 0 H GLY A 60 -4.855 15.273 -3.046 1.00 0.47 H new ATOM 0 HA2 GLY A 60 -6.894 14.002 -4.784 1.00 0.52 H new ATOM 0 HA3 GLY A 60 -5.399 14.743 -5.321 1.00 0.52 H new ATOM 925 N MET A 61 -5.282 11.992 -5.447 1.00 0.43 N ATOM 926 CA MET A 61 -4.658 10.669 -5.579 1.00 0.42 C ATOM 927 C MET A 61 -4.375 10.374 -7.058 1.00 0.46 C ATOM 928 O MET A 61 -5.156 10.725 -7.948 1.00 0.53 O ATOM 929 CB MET A 61 -5.586 9.626 -4.930 1.00 0.52 C ATOM 930 CG MET A 61 -5.310 8.151 -5.279 1.00 0.56 C ATOM 931 SD MET A 61 -6.636 6.944 -4.904 1.00 0.59 S ATOM 932 CE MET A 61 -7.357 7.652 -3.409 1.00 0.66 C ATOM 0 H MET A 61 -5.855 12.236 -6.255 1.00 0.43 H new ATOM 0 HA MET A 61 -3.698 10.634 -5.064 1.00 0.42 H new ATOM 0 HB2 MET A 61 -5.522 9.739 -3.848 1.00 0.52 H new ATOM 0 HB3 MET A 61 -6.612 9.858 -5.215 1.00 0.52 H new ATOM 0 HG2 MET A 61 -5.089 8.091 -6.345 1.00 0.56 H new ATOM 0 HG3 MET A 61 -4.410 7.840 -4.749 1.00 0.56 H new ATOM 0 HE1 MET A 61 -8.066 6.946 -2.978 1.00 0.66 H new ATOM 0 HE2 MET A 61 -6.567 7.860 -2.687 1.00 0.66 H new ATOM 0 HE3 MET A 61 -7.874 8.579 -3.658 1.00 0.66 H new ATOM 942 N ARG A 62 -3.248 9.712 -7.316 1.00 0.47 N ATOM 943 CA ARG A 62 -2.726 9.367 -8.643 1.00 0.54 C ATOM 944 C ARG A 62 -2.026 7.995 -8.570 1.00 0.48 C ATOM 945 O ARG A 62 -1.559 7.625 -7.489 1.00 0.45 O ATOM 946 CB ARG A 62 -1.713 10.455 -9.051 1.00 0.70 C ATOM 947 CG ARG A 62 -2.293 11.706 -9.721 1.00 1.21 C ATOM 948 CD ARG A 62 -2.478 11.565 -11.233 1.00 2.04 C ATOM 949 NE ARG A 62 -3.766 10.938 -11.582 1.00 4.11 N ATOM 950 CZ ARG A 62 -4.120 10.527 -12.794 1.00 5.64 C ATOM 951 NH1 ARG A 62 -3.263 10.510 -13.799 1.00 5.40 N ATOM 952 NH2 ARG A 62 -5.355 10.130 -13.017 1.00 7.62 N ATOM 0 H ARG A 62 -2.640 9.383 -6.566 1.00 0.47 H new ATOM 0 HA ARG A 62 -3.531 9.312 -9.376 1.00 0.54 H new ATOM 0 HB2 ARG A 62 -1.167 10.766 -8.160 1.00 0.70 H new ATOM 0 HB3 ARG A 62 -0.987 10.009 -9.730 1.00 0.70 H new ATOM 0 HG2 ARG A 62 -3.256 11.937 -9.266 1.00 1.21 H new ATOM 0 HG3 ARG A 62 -1.635 12.552 -9.522 1.00 1.21 H new ATOM 0 HD2 ARG A 62 -2.418 12.549 -11.698 1.00 2.04 H new ATOM 0 HD3 ARG A 62 -1.663 10.968 -11.643 1.00 2.04 H new ATOM 0 HE ARG A 62 -4.442 10.809 -10.829 1.00 4.11 H new ATOM 0 HH11 ARG A 62 -2.301 10.818 -13.654 1.00 5.40 H new ATOM 0 HH12 ARG A 62 -3.563 10.189 -14.720 1.00 5.40 H new ATOM 0 HH21 ARG A 62 -6.038 10.138 -12.260 1.00 7.62 H new ATOM 0 HH22 ARG A 62 -5.629 9.814 -13.947 1.00 7.62 H new ATOM 966 N PRO A 63 -1.967 7.216 -9.665 1.00 0.51 N ATOM 967 CA PRO A 63 -1.153 6.011 -9.727 1.00 0.49 C ATOM 968 C PRO A 63 0.307 6.373 -10.019 1.00 0.50 C ATOM 969 O PRO A 63 0.558 7.373 -10.690 1.00 0.57 O ATOM 970 CB PRO A 63 -1.769 5.178 -10.846 1.00 0.52 C ATOM 971 CG PRO A 63 -2.250 6.247 -11.832 1.00 0.56 C ATOM 972 CD PRO A 63 -2.674 7.408 -10.925 1.00 0.60 C ATOM 0 HA PRO A 63 -1.142 5.459 -8.787 1.00 0.49 H new ATOM 0 HB2 PRO A 63 -1.040 4.506 -11.300 1.00 0.52 H new ATOM 0 HB3 PRO A 63 -2.591 4.560 -10.486 1.00 0.52 H new ATOM 0 HG2 PRO A 63 -1.458 6.544 -12.520 1.00 0.56 H new ATOM 0 HG3 PRO A 63 -3.081 5.888 -12.439 1.00 0.56 H new ATOM 0 HD2 PRO A 63 -2.417 8.367 -11.374 1.00 0.60 H new ATOM 0 HD3 PRO A 63 -3.753 7.408 -10.770 1.00 0.60 H new ATOM 980 N VAL A 64 1.249 5.555 -9.540 1.00 0.50 N ATOM 981 CA VAL A 64 2.705 5.778 -9.684 1.00 0.51 C ATOM 982 C VAL A 64 3.403 4.484 -10.144 1.00 0.50 C ATOM 983 O VAL A 64 2.847 3.406 -9.926 1.00 0.50 O ATOM 984 CB VAL A 64 3.337 6.330 -8.378 1.00 0.51 C ATOM 985 CG1 VAL A 64 2.766 7.708 -8.027 1.00 0.55 C ATOM 986 CG2 VAL A 64 3.195 5.390 -7.174 1.00 0.66 C ATOM 0 H VAL A 64 1.025 4.701 -9.030 1.00 0.50 H new ATOM 0 HA VAL A 64 2.853 6.539 -10.451 1.00 0.51 H new ATOM 0 HB VAL A 64 4.403 6.414 -8.589 1.00 0.51 H new ATOM 0 HG11 VAL A 64 3.227 8.070 -7.108 1.00 0.55 H new ATOM 0 HG12 VAL A 64 2.976 8.406 -8.837 1.00 0.55 H new ATOM 0 HG13 VAL A 64 1.688 7.630 -7.886 1.00 0.55 H new ATOM 0 HG21 VAL A 64 3.661 5.845 -6.300 1.00 0.66 H new ATOM 0 HG22 VAL A 64 2.138 5.215 -6.972 1.00 0.66 H new ATOM 0 HG23 VAL A 64 3.685 4.441 -7.393 1.00 0.66 H new ATOM 996 N PRO A 65 4.583 4.553 -10.802 1.00 0.52 N ATOM 997 CA PRO A 65 5.203 3.391 -11.439 1.00 0.51 C ATOM 998 C PRO A 65 5.936 2.492 -10.442 1.00 0.47 C ATOM 999 O PRO A 65 5.994 1.287 -10.670 1.00 0.46 O ATOM 1000 CB PRO A 65 6.149 3.975 -12.490 1.00 0.55 C ATOM 1001 CG PRO A 65 6.600 5.292 -11.863 1.00 0.57 C ATOM 1002 CD PRO A 65 5.359 5.751 -11.099 1.00 0.55 C ATOM 0 HA PRO A 65 4.454 2.737 -11.884 1.00 0.51 H new ATOM 0 HB2 PRO A 65 6.992 3.312 -12.685 1.00 0.55 H new ATOM 0 HB3 PRO A 65 5.643 4.135 -13.442 1.00 0.55 H new ATOM 0 HG2 PRO A 65 7.454 5.152 -11.200 1.00 0.57 H new ATOM 0 HG3 PRO A 65 6.900 6.017 -12.619 1.00 0.57 H new ATOM 0 HD2 PRO A 65 5.639 6.268 -10.181 1.00 0.55 H new ATOM 0 HD3 PRO A 65 4.775 6.452 -11.695 1.00 0.55 H new ATOM 1010 N PHE A 66 6.469 3.063 -9.354 1.00 0.49 N ATOM 1011 CA PHE A 66 7.215 2.367 -8.299 1.00 0.48 C ATOM 1012 C PHE A 66 7.605 3.311 -7.149 1.00 0.54 C ATOM 1013 O PHE A 66 7.631 4.531 -7.310 1.00 0.64 O ATOM 1014 CB PHE A 66 8.473 1.679 -8.862 1.00 0.48 C ATOM 1015 CG PHE A 66 9.493 2.633 -9.434 1.00 0.54 C ATOM 1016 CD1 PHE A 66 10.415 3.249 -8.576 1.00 1.69 C ATOM 1017 CD2 PHE A 66 9.479 2.947 -10.800 1.00 2.04 C ATOM 1018 CE1 PHE A 66 11.310 4.210 -9.060 1.00 1.68 C ATOM 1019 CE2 PHE A 66 10.397 3.890 -11.302 1.00 2.10 C ATOM 1020 CZ PHE A 66 11.307 4.526 -10.433 1.00 0.72 C ATOM 0 H PHE A 66 6.388 4.064 -9.178 1.00 0.49 H new ATOM 0 HA PHE A 66 6.547 1.604 -7.899 1.00 0.48 H new ATOM 0 HB2 PHE A 66 8.941 1.096 -8.069 1.00 0.48 H new ATOM 0 HB3 PHE A 66 8.173 0.976 -9.639 1.00 0.48 H new ATOM 0 HD1 PHE A 66 10.435 2.979 -7.530 1.00 1.69 H new ATOM 0 HD2 PHE A 66 8.771 2.470 -11.462 1.00 2.04 H new ATOM 0 HE1 PHE A 66 11.996 4.704 -8.388 1.00 1.68 H new ATOM 0 HE2 PHE A 66 10.404 4.127 -12.356 1.00 2.10 H new ATOM 0 HZ PHE A 66 12.002 5.256 -10.820 1.00 0.72 H new ATOM 1030 N LEU A 67 7.998 2.721 -6.017 1.00 0.53 N ATOM 1031 CA LEU A 67 8.766 3.372 -4.951 1.00 0.63 C ATOM 1032 C LEU A 67 10.193 2.811 -4.940 1.00 0.67 C ATOM 1033 O LEU A 67 10.409 1.685 -5.385 1.00 0.67 O ATOM 1034 CB LEU A 67 8.126 3.100 -3.577 1.00 0.67 C ATOM 1035 CG LEU A 67 6.607 3.308 -3.443 1.00 0.64 C ATOM 1036 CD1 LEU A 67 6.238 2.982 -1.994 1.00 0.70 C ATOM 1037 CD2 LEU A 67 6.153 4.722 -3.800 1.00 0.63 C ATOM 0 H LEU A 67 7.784 1.745 -5.810 1.00 0.53 H new ATOM 0 HA LEU A 67 8.776 4.446 -5.139 1.00 0.63 H new ATOM 0 HB2 LEU A 67 8.349 2.069 -3.301 1.00 0.67 H new ATOM 0 HB3 LEU A 67 8.618 3.740 -2.845 1.00 0.67 H new ATOM 0 HG LEU A 67 6.099 2.654 -4.152 1.00 0.64 H new ATOM 0 HD11 LEU A 67 5.166 3.116 -1.853 1.00 0.70 H new ATOM 0 HD12 LEU A 67 6.506 1.949 -1.774 1.00 0.70 H new ATOM 0 HD13 LEU A 67 6.779 3.648 -1.322 1.00 0.70 H new ATOM 0 HD21 LEU A 67 5.072 4.797 -3.683 1.00 0.63 H new ATOM 0 HD22 LEU A 67 6.640 5.438 -3.139 1.00 0.63 H new ATOM 0 HD23 LEU A 67 6.422 4.941 -4.833 1.00 0.63 H new ATOM 1049 N GLU A 68 11.151 3.536 -4.370 1.00 0.74 N ATOM 1050 CA GLU A 68 12.533 3.073 -4.190 1.00 0.81 C ATOM 1051 C GLU A 68 13.085 3.494 -2.829 1.00 1.04 C ATOM 1052 O GLU A 68 12.757 4.575 -2.346 1.00 1.37 O ATOM 1053 CB GLU A 68 13.430 3.580 -5.328 1.00 1.36 C ATOM 1054 CG GLU A 68 14.905 3.188 -5.103 1.00 1.42 C ATOM 1055 CD GLU A 68 15.701 3.110 -6.406 1.00 1.38 C ATOM 1056 OE1 GLU A 68 15.282 2.314 -7.279 1.00 2.21 O ATOM 1057 OE2 GLU A 68 16.750 3.773 -6.520 1.00 2.21 O ATOM 0 H GLU A 68 10.991 4.478 -4.013 1.00 0.74 H new ATOM 0 HA GLU A 68 12.528 1.983 -4.222 1.00 0.81 H new ATOM 0 HB2 GLU A 68 13.084 3.169 -6.276 1.00 1.36 H new ATOM 0 HB3 GLU A 68 13.348 4.664 -5.402 1.00 1.36 H new ATOM 0 HG2 GLU A 68 15.373 3.915 -4.440 1.00 1.42 H new ATOM 0 HG3 GLU A 68 14.947 2.223 -4.598 1.00 1.42 H new ATOM 1064 N VAL A 69 13.917 2.634 -2.227 1.00 0.96 N ATOM 1065 CA VAL A 69 14.537 2.859 -0.921 1.00 1.13 C ATOM 1066 C VAL A 69 15.948 2.239 -0.827 1.00 1.01 C ATOM 1067 O VAL A 69 16.155 1.122 -1.311 1.00 0.88 O ATOM 1068 CB VAL A 69 13.631 2.301 0.216 1.00 1.20 C ATOM 1069 CG1 VAL A 69 14.170 2.578 1.634 1.00 1.42 C ATOM 1070 CG2 VAL A 69 12.207 2.883 0.152 1.00 1.50 C ATOM 0 H VAL A 69 14.182 1.743 -2.647 1.00 0.96 H new ATOM 0 HA VAL A 69 14.645 3.937 -0.801 1.00 1.13 H new ATOM 0 HB VAL A 69 13.623 1.225 0.042 1.00 1.20 H new ATOM 0 HG11 VAL A 69 13.485 2.160 2.372 1.00 1.42 H new ATOM 0 HG12 VAL A 69 15.151 2.117 1.747 1.00 1.42 H new ATOM 0 HG13 VAL A 69 14.255 3.654 1.787 1.00 1.42 H new ATOM 0 HG21 VAL A 69 11.608 2.468 0.962 1.00 1.50 H new ATOM 0 HG22 VAL A 69 12.252 3.967 0.253 1.00 1.50 H new ATOM 0 HG23 VAL A 69 11.752 2.626 -0.804 1.00 1.50 H new ATOM 1080 N PRO A 70 16.919 2.929 -0.188 1.00 1.15 N ATOM 1081 CA PRO A 70 18.278 2.432 0.034 1.00 1.14 C ATOM 1082 C PRO A 70 18.352 1.180 0.935 1.00 1.08 C ATOM 1083 O PRO A 70 17.355 0.789 1.549 1.00 1.16 O ATOM 1084 CB PRO A 70 19.051 3.618 0.639 1.00 1.32 C ATOM 1085 CG PRO A 70 17.969 4.477 1.282 1.00 1.36 C ATOM 1086 CD PRO A 70 16.814 4.300 0.307 1.00 1.44 C ATOM 0 HA PRO A 70 18.710 2.091 -0.907 1.00 1.14 H new ATOM 0 HB2 PRO A 70 19.783 3.283 1.374 1.00 1.32 H new ATOM 0 HB3 PRO A 70 19.596 4.170 -0.126 1.00 1.32 H new ATOM 0 HG2 PRO A 70 17.715 4.133 2.284 1.00 1.36 H new ATOM 0 HG3 PRO A 70 18.273 5.520 1.371 1.00 1.36 H new ATOM 0 HD2 PRO A 70 15.856 4.465 0.801 1.00 1.44 H new ATOM 0 HD3 PRO A 70 16.879 5.017 -0.511 1.00 1.44 H new ATOM 1094 N PRO A 71 19.540 0.545 1.033 1.00 1.06 N ATOM 1095 CA PRO A 71 19.826 -0.544 1.968 1.00 1.01 C ATOM 1096 C PRO A 71 19.655 -0.156 3.437 1.00 1.02 C ATOM 1097 O PRO A 71 19.832 1.004 3.807 1.00 1.04 O ATOM 1098 CB PRO A 71 21.236 -1.022 1.635 1.00 1.07 C ATOM 1099 CG PRO A 71 21.875 0.106 0.836 1.00 1.18 C ATOM 1100 CD PRO A 71 20.692 0.793 0.176 1.00 1.14 C ATOM 0 HA PRO A 71 19.101 -1.349 1.846 1.00 1.01 H new ATOM 0 HB2 PRO A 71 21.804 -1.230 2.542 1.00 1.07 H new ATOM 0 HB3 PRO A 71 21.210 -1.946 1.057 1.00 1.07 H new ATOM 0 HG2 PRO A 71 22.427 0.790 1.480 1.00 1.18 H new ATOM 0 HG3 PRO A 71 22.580 -0.276 0.097 1.00 1.18 H new ATOM 0 HD2 PRO A 71 20.874 1.862 0.070 1.00 1.14 H new ATOM 0 HD3 PRO A 71 20.523 0.398 -0.826 1.00 1.14 H new ATOM 1108 N LYS A 72 19.288 -1.145 4.268 1.00 1.07 N ATOM 1109 CA LYS A 72 19.130 -1.059 5.736 1.00 1.16 C ATOM 1110 C LYS A 72 17.947 -0.193 6.217 1.00 1.22 C ATOM 1111 O LYS A 72 17.636 -0.183 7.408 1.00 1.42 O ATOM 1112 CB LYS A 72 20.455 -0.651 6.408 1.00 1.23 C ATOM 1113 CG LYS A 72 21.684 -1.427 5.908 1.00 1.38 C ATOM 1114 CD LYS A 72 21.580 -2.955 6.064 1.00 1.31 C ATOM 1115 CE LYS A 72 22.756 -3.619 5.344 1.00 1.58 C ATOM 1116 NZ LYS A 72 22.673 -5.097 5.373 1.00 1.96 N ATOM 0 H LYS A 72 19.081 -2.080 3.918 1.00 1.07 H new ATOM 0 HA LYS A 72 18.867 -2.067 6.057 1.00 1.16 H new ATOM 0 HB2 LYS A 72 20.620 0.414 6.242 1.00 1.23 H new ATOM 0 HB3 LYS A 72 20.362 -0.795 7.484 1.00 1.23 H new ATOM 0 HG2 LYS A 72 21.843 -1.192 4.856 1.00 1.38 H new ATOM 0 HG3 LYS A 72 22.563 -1.078 6.449 1.00 1.38 H new ATOM 0 HD2 LYS A 72 21.586 -3.225 7.120 1.00 1.31 H new ATOM 0 HD3 LYS A 72 20.637 -3.311 5.649 1.00 1.31 H new ATOM 0 HE2 LYS A 72 22.783 -3.279 4.309 1.00 1.58 H new ATOM 0 HE3 LYS A 72 23.689 -3.301 5.808 1.00 1.58 H new ATOM 0 HZ1 LYS A 72 23.416 -5.474 5.995 1.00 1.96 H new ATOM 0 HZ2 LYS A 72 21.741 -5.385 5.733 1.00 1.96 H new ATOM 0 HZ3 LYS A 72 22.804 -5.471 4.411 1.00 1.96 H new ATOM 1130 N GLY A 73 17.270 0.512 5.308 1.00 1.13 N ATOM 1131 CA GLY A 73 16.114 1.368 5.612 1.00 1.20 C ATOM 1132 C GLY A 73 14.818 0.568 5.798 1.00 1.20 C ATOM 1133 O GLY A 73 14.619 -0.459 5.154 1.00 1.13 O ATOM 0 H GLY A 73 17.513 0.506 4.317 1.00 1.13 H new ATOM 0 HA2 GLY A 73 16.318 1.938 6.518 1.00 1.20 H new ATOM 0 HA3 GLY A 73 15.979 2.089 4.806 1.00 1.20 H new ATOM 1137 N ARG A 74 13.905 1.064 6.643 1.00 1.49 N ATOM 1138 CA ARG A 74 12.490 0.647 6.628 1.00 1.45 C ATOM 1139 C ARG A 74 11.699 1.496 5.623 1.00 1.69 C ATOM 1140 O ARG A 74 12.124 2.589 5.263 1.00 2.12 O ATOM 1141 CB ARG A 74 11.834 0.723 8.025 1.00 1.52 C ATOM 1142 CG ARG A 74 11.872 -0.617 8.785 1.00 2.59 C ATOM 1143 CD ARG A 74 10.743 -0.739 9.795 1.00 2.81 C ATOM 1144 NE ARG A 74 10.708 -2.051 10.473 1.00 3.95 N ATOM 1145 CZ ARG A 74 10.238 -3.189 9.968 1.00 5.19 C ATOM 1146 NH1 ARG A 74 9.692 -3.261 8.779 1.00 5.78 N ATOM 1147 NH2 ARG A 74 10.346 -4.306 10.645 1.00 6.31 N ATOM 0 H ARG A 74 14.121 1.762 7.354 1.00 1.49 H new ATOM 0 HA ARG A 74 12.467 -0.399 6.321 1.00 1.45 H new ATOM 0 HB2 ARG A 74 12.342 1.484 8.617 1.00 1.52 H new ATOM 0 HB3 ARG A 74 10.798 1.043 7.916 1.00 1.52 H new ATOM 0 HG2 ARG A 74 11.809 -1.439 8.072 1.00 2.59 H new ATOM 0 HG3 ARG A 74 12.828 -0.714 9.299 1.00 2.59 H new ATOM 0 HD2 ARG A 74 10.847 0.047 10.543 1.00 2.81 H new ATOM 0 HD3 ARG A 74 9.792 -0.573 9.289 1.00 2.81 H new ATOM 0 HE ARG A 74 11.081 -2.088 11.422 1.00 3.95 H new ATOM 0 HH11 ARG A 74 9.615 -2.424 8.202 1.00 5.78 H new ATOM 0 HH12 ARG A 74 9.344 -4.154 8.431 1.00 5.78 H new ATOM 0 HH21 ARG A 74 10.792 -4.305 11.563 1.00 6.31 H new ATOM 0 HH22 ARG A 74 9.984 -5.176 10.254 1.00 6.31 H new ATOM 1161 N VAL A 75 10.528 0.993 5.242 1.00 1.73 N ATOM 1162 CA VAL A 75 9.521 1.675 4.418 1.00 2.14 C ATOM 1163 C VAL A 75 8.149 1.474 5.055 1.00 1.80 C ATOM 1164 O VAL A 75 7.897 0.428 5.646 1.00 2.30 O ATOM 1165 CB VAL A 75 9.439 1.102 2.980 1.00 3.04 C ATOM 1166 CG1 VAL A 75 8.952 2.178 1.993 1.00 3.34 C ATOM 1167 CG2 VAL A 75 10.763 0.484 2.490 1.00 4.04 C ATOM 0 H VAL A 75 10.237 0.053 5.510 1.00 1.73 H new ATOM 0 HA VAL A 75 9.811 2.724 4.363 1.00 2.14 H new ATOM 0 HB VAL A 75 8.714 0.289 3.018 1.00 3.04 H new ATOM 0 HG11 VAL A 75 8.902 1.755 0.990 1.00 3.34 H new ATOM 0 HG12 VAL A 75 7.962 2.524 2.291 1.00 3.34 H new ATOM 0 HG13 VAL A 75 9.647 3.018 1.998 1.00 3.34 H new ATOM 0 HG21 VAL A 75 10.634 0.103 1.477 1.00 4.04 H new ATOM 0 HG22 VAL A 75 11.543 1.245 2.494 1.00 4.04 H new ATOM 0 HG23 VAL A 75 11.050 -0.333 3.151 1.00 4.04 H new ATOM 1177 N GLU A 76 7.238 2.421 4.875 1.00 1.50 N ATOM 1178 CA GLU A 76 5.806 2.222 5.072 1.00 1.16 C ATOM 1179 C GLU A 76 5.010 3.002 4.020 1.00 1.00 C ATOM 1180 O GLU A 76 5.323 4.158 3.713 1.00 1.12 O ATOM 1181 CB GLU A 76 5.350 2.532 6.507 1.00 1.33 C ATOM 1182 CG GLU A 76 6.304 3.357 7.373 1.00 1.65 C ATOM 1183 CD GLU A 76 6.453 4.784 6.854 1.00 2.30 C ATOM 1184 OE1 GLU A 76 5.540 5.618 7.068 1.00 3.18 O ATOM 1185 OE2 GLU A 76 7.422 5.043 6.102 1.00 3.29 O ATOM 0 H GLU A 76 7.477 3.368 4.582 1.00 1.50 H new ATOM 0 HA GLU A 76 5.599 1.161 4.932 1.00 1.16 H new ATOM 0 HB2 GLU A 76 4.398 3.060 6.454 1.00 1.33 H new ATOM 0 HB3 GLU A 76 5.162 1.586 7.015 1.00 1.33 H new ATOM 0 HG2 GLU A 76 5.935 3.380 8.398 1.00 1.65 H new ATOM 0 HG3 GLU A 76 7.281 2.875 7.397 1.00 1.65 H new ATOM 1192 N LEU A 77 3.960 2.386 3.467 1.00 0.84 N ATOM 1193 CA LEU A 77 3.004 3.092 2.614 1.00 0.69 C ATOM 1194 C LEU A 77 2.048 3.887 3.515 1.00 0.97 C ATOM 1195 O LEU A 77 0.955 3.446 3.863 1.00 2.01 O ATOM 1196 CB LEU A 77 2.321 2.130 1.621 1.00 0.69 C ATOM 1197 CG LEU A 77 3.162 1.858 0.346 1.00 0.69 C ATOM 1198 CD1 LEU A 77 4.173 0.709 0.498 1.00 0.72 C ATOM 1199 CD2 LEU A 77 2.232 1.557 -0.834 1.00 1.13 C ATOM 0 H LEU A 77 3.752 1.396 3.597 1.00 0.84 H new ATOM 0 HA LEU A 77 3.508 3.813 1.970 1.00 0.69 H new ATOM 0 HB2 LEU A 77 2.121 1.184 2.123 1.00 0.69 H new ATOM 0 HB3 LEU A 77 1.357 2.546 1.329 1.00 0.69 H new ATOM 0 HG LEU A 77 3.742 2.764 0.168 1.00 0.69 H new ATOM 0 HD11 LEU A 77 4.722 0.581 -0.435 1.00 0.72 H new ATOM 0 HD12 LEU A 77 4.872 0.943 1.301 1.00 0.72 H new ATOM 0 HD13 LEU A 77 3.643 -0.213 0.736 1.00 0.72 H new ATOM 0 HD21 LEU A 77 2.827 1.367 -1.727 1.00 1.13 H new ATOM 0 HD22 LEU A 77 1.628 0.679 -0.606 1.00 1.13 H new ATOM 0 HD23 LEU A 77 1.578 2.411 -1.009 1.00 1.13 H new ATOM 1211 N LYS A 78 2.520 5.057 3.962 1.00 0.86 N ATOM 1212 CA LYS A 78 1.786 5.927 4.879 1.00 0.99 C ATOM 1213 C LYS A 78 0.418 6.384 4.312 1.00 0.90 C ATOM 1214 O LYS A 78 0.384 6.877 3.184 1.00 0.93 O ATOM 1215 CB LYS A 78 2.663 7.121 5.337 1.00 1.32 C ATOM 1216 CG LYS A 78 3.065 8.212 4.314 1.00 1.20 C ATOM 1217 CD LYS A 78 4.173 7.885 3.297 1.00 2.29 C ATOM 1218 CE LYS A 78 5.606 7.912 3.858 1.00 2.45 C ATOM 1219 NZ LYS A 78 5.948 6.694 4.624 1.00 3.28 N ATOM 0 H LYS A 78 3.432 5.427 3.693 1.00 0.86 H new ATOM 0 HA LYS A 78 1.552 5.333 5.762 1.00 0.99 H new ATOM 0 HB2 LYS A 78 2.138 7.617 6.153 1.00 1.32 H new ATOM 0 HB3 LYS A 78 3.583 6.709 5.753 1.00 1.32 H new ATOM 0 HG2 LYS A 78 2.171 8.489 3.755 1.00 1.20 H new ATOM 0 HG3 LYS A 78 3.377 9.094 4.874 1.00 1.20 H new ATOM 0 HD2 LYS A 78 3.982 6.896 2.881 1.00 2.29 H new ATOM 0 HD3 LYS A 78 4.109 8.596 2.473 1.00 2.29 H new ATOM 0 HE2 LYS A 78 6.311 8.027 3.035 1.00 2.45 H new ATOM 0 HE3 LYS A 78 5.722 8.784 4.501 1.00 2.45 H new ATOM 0 HZ1 LYS A 78 6.982 6.583 4.657 1.00 3.28 H new ATOM 0 HZ2 LYS A 78 5.578 6.777 5.592 1.00 3.28 H new ATOM 0 HZ3 LYS A 78 5.526 5.863 4.162 1.00 3.28 H new ATOM 1233 N PRO A 79 -0.671 6.379 5.112 1.00 1.08 N ATOM 1234 CA PRO A 79 -1.987 6.869 4.683 1.00 1.27 C ATOM 1235 C PRO A 79 -1.964 8.353 4.293 1.00 1.26 C ATOM 1236 O PRO A 79 -2.762 8.777 3.461 1.00 2.07 O ATOM 1237 CB PRO A 79 -2.914 6.641 5.884 1.00 1.58 C ATOM 1238 CG PRO A 79 -1.957 6.753 7.066 1.00 1.52 C ATOM 1239 CD PRO A 79 -0.712 6.048 6.531 1.00 1.33 C ATOM 0 HA PRO A 79 -2.321 6.341 3.790 1.00 1.27 H new ATOM 0 HB2 PRO A 79 -3.707 7.387 5.932 1.00 1.58 H new ATOM 0 HB3 PRO A 79 -3.397 5.665 5.844 1.00 1.58 H new ATOM 0 HG2 PRO A 79 -1.756 7.791 7.332 1.00 1.52 H new ATOM 0 HG3 PRO A 79 -2.351 6.266 7.958 1.00 1.52 H new ATOM 0 HD2 PRO A 79 0.187 6.392 7.043 1.00 1.33 H new ATOM 0 HD3 PRO A 79 -0.773 4.970 6.683 1.00 1.33 H new ATOM 1247 N GLY A 80 -1.016 9.122 4.849 1.00 1.30 N ATOM 1248 CA GLY A 80 -0.769 10.521 4.505 1.00 1.58 C ATOM 1249 C GLY A 80 -0.001 10.733 3.197 1.00 1.40 C ATOM 1250 O GLY A 80 0.380 11.871 2.938 1.00 1.87 O ATOM 0 H GLY A 80 -0.385 8.773 5.570 1.00 1.30 H new ATOM 0 HA2 GLY A 80 -1.726 11.038 4.436 1.00 1.58 H new ATOM 0 HA3 GLY A 80 -0.212 10.988 5.317 1.00 1.58 H new ATOM 1254 N GLY A 81 0.222 9.698 2.366 1.00 0.98 N ATOM 1255 CA GLY A 81 0.707 9.940 1.002 1.00 0.79 C ATOM 1256 C GLY A 81 0.978 8.792 0.036 1.00 0.98 C ATOM 1257 O GLY A 81 1.165 9.059 -1.141 1.00 2.13 O ATOM 0 H GLY A 81 0.079 8.717 2.607 1.00 0.98 H new ATOM 0 HA2 GLY A 81 -0.019 10.595 0.520 1.00 0.79 H new ATOM 0 HA3 GLY A 81 1.635 10.504 1.092 1.00 0.79 H new ATOM 1261 N TYR A 82 0.985 7.528 0.454 1.00 0.58 N ATOM 1262 CA TYR A 82 1.075 6.374 -0.458 1.00 0.56 C ATOM 1263 C TYR A 82 0.247 5.180 0.013 1.00 0.59 C ATOM 1264 O TYR A 82 0.131 4.906 1.203 1.00 0.69 O ATOM 1265 CB TYR A 82 2.526 5.921 -0.656 1.00 0.61 C ATOM 1266 CG TYR A 82 3.372 6.907 -1.431 1.00 0.58 C ATOM 1267 CD1 TYR A 82 4.070 7.913 -0.742 1.00 1.98 C ATOM 1268 CD2 TYR A 82 3.409 6.861 -2.836 1.00 1.90 C ATOM 1269 CE1 TYR A 82 4.781 8.894 -1.450 1.00 2.02 C ATOM 1270 CE2 TYR A 82 4.170 7.803 -3.550 1.00 1.90 C ATOM 1271 CZ TYR A 82 4.846 8.834 -2.862 1.00 0.68 C ATOM 1272 OH TYR A 82 5.540 9.772 -3.561 1.00 0.80 O ATOM 0 H TYR A 82 0.928 7.267 1.438 1.00 0.58 H new ATOM 0 HA TYR A 82 0.667 6.724 -1.406 1.00 0.56 H new ATOM 0 HB2 TYR A 82 2.981 5.754 0.320 1.00 0.61 H new ATOM 0 HB3 TYR A 82 2.530 4.964 -1.178 1.00 0.61 H new ATOM 0 HD1 TYR A 82 4.059 7.931 0.338 1.00 1.98 H new ATOM 0 HD2 TYR A 82 2.853 6.102 -3.366 1.00 1.90 H new ATOM 0 HE1 TYR A 82 5.277 9.693 -0.919 1.00 2.02 H new ATOM 0 HE2 TYR A 82 4.238 7.738 -4.626 1.00 1.90 H new ATOM 0 HH TYR A 82 5.480 9.577 -4.519 1.00 0.80 H new ATOM 1282 N HIS A 83 -0.316 4.445 -0.938 1.00 0.51 N ATOM 1283 CA HIS A 83 -1.064 3.217 -0.675 1.00 0.46 C ATOM 1284 C HIS A 83 -1.130 2.338 -1.933 1.00 0.40 C ATOM 1285 O HIS A 83 -1.157 2.840 -3.061 1.00 0.44 O ATOM 1286 CB HIS A 83 -2.461 3.559 -0.133 1.00 0.54 C ATOM 1287 CG HIS A 83 -3.287 4.363 -1.097 1.00 0.52 C ATOM 1288 ND1 HIS A 83 -3.159 5.714 -1.357 1.00 0.53 N ATOM 1289 CD2 HIS A 83 -4.173 3.860 -2.006 1.00 0.55 C ATOM 1290 CE1 HIS A 83 -3.921 6.003 -2.418 1.00 0.52 C ATOM 1291 NE2 HIS A 83 -4.591 4.916 -2.813 1.00 0.56 N ATOM 0 H HIS A 83 -0.267 4.686 -1.928 1.00 0.51 H new ATOM 0 HA HIS A 83 -0.544 2.638 0.088 1.00 0.46 H new ATOM 0 HB2 HIS A 83 -2.988 2.635 0.105 1.00 0.54 H new ATOM 0 HB3 HIS A 83 -2.357 4.115 0.799 1.00 0.54 H new ATOM 0 HD2 HIS A 83 -4.492 2.831 -2.085 1.00 0.55 H new ATOM 0 HE1 HIS A 83 -3.985 6.974 -2.887 1.00 0.52 H new ATOM 0 HE2 HIS A 83 -5.279 4.868 -3.564 1.00 0.56 H new ATOM 1299 N PHE A 84 -1.241 1.025 -1.737 1.00 0.42 N ATOM 1300 CA PHE A 84 -1.737 0.146 -2.794 1.00 0.45 C ATOM 1301 C PHE A 84 -3.268 0.263 -2.844 1.00 0.44 C ATOM 1302 O PHE A 84 -3.907 0.343 -1.795 1.00 0.49 O ATOM 1303 CB PHE A 84 -1.309 -1.297 -2.515 1.00 0.52 C ATOM 1304 CG PHE A 84 0.156 -1.569 -2.785 1.00 0.56 C ATOM 1305 CD1 PHE A 84 0.590 -1.767 -4.107 1.00 1.57 C ATOM 1306 CD2 PHE A 84 1.083 -1.635 -1.727 1.00 1.49 C ATOM 1307 CE1 PHE A 84 1.932 -2.089 -4.366 1.00 1.65 C ATOM 1308 CE2 PHE A 84 2.424 -1.957 -1.986 1.00 1.48 C ATOM 1309 CZ PHE A 84 2.842 -2.204 -3.303 1.00 0.75 C ATOM 0 H PHE A 84 -0.997 0.551 -0.867 1.00 0.42 H new ATOM 0 HA PHE A 84 -1.320 0.439 -3.758 1.00 0.45 H new ATOM 0 HB2 PHE A 84 -1.526 -1.534 -1.474 1.00 0.52 H new ATOM 0 HB3 PHE A 84 -1.911 -1.968 -3.127 1.00 0.52 H new ATOM 0 HD1 PHE A 84 -0.109 -1.671 -4.924 1.00 1.57 H new ATOM 0 HD2 PHE A 84 0.761 -1.438 -0.715 1.00 1.49 H new ATOM 0 HE1 PHE A 84 2.264 -2.248 -5.381 1.00 1.65 H new ATOM 0 HE2 PHE A 84 3.133 -2.015 -1.174 1.00 1.48 H new ATOM 0 HZ PHE A 84 3.867 -2.483 -3.499 1.00 0.75 H new ATOM 1319 N MET A 85 -3.865 0.251 -4.035 1.00 0.43 N ATOM 1320 CA MET A 85 -5.304 0.118 -4.286 1.00 0.42 C ATOM 1321 C MET A 85 -5.598 -1.331 -4.658 1.00 0.38 C ATOM 1322 O MET A 85 -4.935 -1.877 -5.535 1.00 0.42 O ATOM 1323 CB MET A 85 -5.756 1.019 -5.432 1.00 0.52 C ATOM 1324 CG MET A 85 -7.175 1.552 -5.194 1.00 0.61 C ATOM 1325 SD MET A 85 -7.231 2.931 -4.014 1.00 0.49 S ATOM 1326 CE MET A 85 -8.993 2.952 -3.578 1.00 0.49 C ATOM 0 H MET A 85 -3.331 0.338 -4.899 1.00 0.43 H new ATOM 0 HA MET A 85 -5.842 0.413 -3.385 1.00 0.42 H new ATOM 0 HB2 MET A 85 -5.064 1.855 -5.536 1.00 0.52 H new ATOM 0 HB3 MET A 85 -5.726 0.462 -6.369 1.00 0.52 H new ATOM 0 HG2 MET A 85 -7.598 1.878 -6.144 1.00 0.61 H new ATOM 0 HG3 MET A 85 -7.804 0.741 -4.826 1.00 0.61 H new ATOM 0 HE1 MET A 85 -9.180 3.749 -2.859 1.00 0.49 H new ATOM 0 HE2 MET A 85 -9.588 3.125 -4.475 1.00 0.49 H new ATOM 0 HE3 MET A 85 -9.270 1.994 -3.138 1.00 0.49 H new ATOM 1336 N LEU A 86 -6.587 -1.932 -4.012 1.00 0.39 N ATOM 1337 CA LEU A 86 -7.012 -3.313 -4.211 1.00 0.39 C ATOM 1338 C LEU A 86 -8.399 -3.302 -4.857 1.00 0.41 C ATOM 1339 O LEU A 86 -9.253 -2.504 -4.472 1.00 0.55 O ATOM 1340 CB LEU A 86 -7.069 -4.031 -2.848 1.00 0.41 C ATOM 1341 CG LEU A 86 -5.727 -4.438 -2.199 1.00 0.43 C ATOM 1342 CD1 LEU A 86 -4.801 -3.265 -1.828 1.00 0.44 C ATOM 1343 CD2 LEU A 86 -6.055 -5.201 -0.907 1.00 0.49 C ATOM 0 H LEU A 86 -7.140 -1.450 -3.303 1.00 0.39 H new ATOM 0 HA LEU A 86 -6.309 -3.840 -4.856 1.00 0.39 H new ATOM 0 HB2 LEU A 86 -7.598 -3.384 -2.149 1.00 0.41 H new ATOM 0 HB3 LEU A 86 -7.672 -4.931 -2.967 1.00 0.41 H new ATOM 0 HG LEU A 86 -5.189 -5.029 -2.940 1.00 0.43 H new ATOM 0 HD11 LEU A 86 -3.886 -3.652 -1.380 1.00 0.44 H new ATOM 0 HD12 LEU A 86 -4.554 -2.698 -2.726 1.00 0.44 H new ATOM 0 HD13 LEU A 86 -5.307 -2.613 -1.116 1.00 0.44 H new ATOM 0 HD21 LEU A 86 -5.129 -5.506 -0.419 1.00 0.49 H new ATOM 0 HD22 LEU A 86 -6.623 -4.555 -0.237 1.00 0.49 H new ATOM 0 HD23 LEU A 86 -6.647 -6.085 -1.146 1.00 0.49 H new ATOM 1355 N LEU A 87 -8.635 -4.199 -5.814 1.00 0.41 N ATOM 1356 CA LEU A 87 -9.930 -4.387 -6.471 1.00 0.51 C ATOM 1357 C LEU A 87 -10.212 -5.885 -6.631 1.00 0.52 C ATOM 1358 O LEU A 87 -9.303 -6.675 -6.892 1.00 0.54 O ATOM 1359 CB LEU A 87 -9.966 -3.686 -7.845 1.00 0.70 C ATOM 1360 CG LEU A 87 -9.767 -2.150 -7.842 1.00 0.81 C ATOM 1361 CD1 LEU A 87 -8.289 -1.735 -7.970 1.00 1.47 C ATOM 1362 CD2 LEU A 87 -10.533 -1.536 -9.024 1.00 1.52 C ATOM 0 H LEU A 87 -7.914 -4.831 -6.163 1.00 0.41 H new ATOM 0 HA LEU A 87 -10.703 -3.937 -5.848 1.00 0.51 H new ATOM 0 HB2 LEU A 87 -9.194 -4.129 -8.474 1.00 0.70 H new ATOM 0 HB3 LEU A 87 -10.925 -3.905 -8.315 1.00 0.70 H new ATOM 0 HG LEU A 87 -10.140 -1.788 -6.884 1.00 0.81 H new ATOM 0 HD11 LEU A 87 -8.214 -0.648 -7.962 1.00 1.47 H new ATOM 0 HD12 LEU A 87 -7.723 -2.144 -7.133 1.00 1.47 H new ATOM 0 HD13 LEU A 87 -7.883 -2.120 -8.906 1.00 1.47 H new ATOM 0 HD21 LEU A 87 -10.395 -0.455 -9.025 1.00 1.52 H new ATOM 0 HD22 LEU A 87 -10.154 -1.951 -9.958 1.00 1.52 H new ATOM 0 HD23 LEU A 87 -11.594 -1.766 -8.929 1.00 1.52 H new ATOM 1374 N GLY A 88 -11.477 -6.284 -6.488 1.00 0.59 N ATOM 1375 CA GLY A 88 -11.883 -7.689 -6.584 1.00 0.72 C ATOM 1376 C GLY A 88 -11.448 -8.495 -5.359 1.00 0.77 C ATOM 1377 O GLY A 88 -10.927 -9.598 -5.501 1.00 1.00 O ATOM 0 H GLY A 88 -12.249 -5.644 -6.303 1.00 0.59 H new ATOM 0 HA2 GLY A 88 -12.966 -7.747 -6.690 1.00 0.72 H new ATOM 0 HA3 GLY A 88 -11.450 -8.131 -7.481 1.00 0.72 H new ATOM 1381 N LEU A 89 -11.603 -7.925 -4.159 1.00 0.72 N ATOM 1382 CA LEU A 89 -11.412 -8.655 -2.903 1.00 0.77 C ATOM 1383 C LEU A 89 -12.254 -9.928 -2.808 1.00 0.85 C ATOM 1384 O LEU A 89 -13.406 -9.998 -3.228 1.00 1.16 O ATOM 1385 CB LEU A 89 -11.559 -7.777 -1.646 1.00 0.87 C ATOM 1386 CG LEU A 89 -12.599 -6.637 -1.664 1.00 0.91 C ATOM 1387 CD1 LEU A 89 -14.026 -7.130 -1.948 1.00 1.34 C ATOM 1388 CD2 LEU A 89 -12.574 -5.912 -0.316 1.00 1.25 C ATOM 0 H LEU A 89 -11.864 -6.947 -4.032 1.00 0.72 H new ATOM 0 HA LEU A 89 -10.369 -8.972 -2.931 1.00 0.77 H new ATOM 0 HB2 LEU A 89 -11.800 -8.433 -0.809 1.00 0.87 H new ATOM 0 HB3 LEU A 89 -10.585 -7.335 -1.434 1.00 0.87 H new ATOM 0 HG LEU A 89 -12.325 -5.964 -2.476 1.00 0.91 H new ATOM 0 HD11 LEU A 89 -14.711 -6.282 -1.948 1.00 1.34 H new ATOM 0 HD12 LEU A 89 -14.055 -7.619 -2.922 1.00 1.34 H new ATOM 0 HD13 LEU A 89 -14.326 -7.839 -1.177 1.00 1.34 H new ATOM 0 HD21 LEU A 89 -13.307 -5.105 -0.323 1.00 1.25 H new ATOM 0 HD22 LEU A 89 -12.817 -6.616 0.480 1.00 1.25 H new ATOM 0 HD23 LEU A 89 -11.581 -5.498 -0.144 1.00 1.25 H new ATOM 1400 N LYS A 90 -11.633 -10.947 -2.220 1.00 0.80 N ATOM 1401 CA LYS A 90 -12.187 -12.313 -2.190 1.00 0.84 C ATOM 1402 C LYS A 90 -12.861 -12.664 -0.842 1.00 0.95 C ATOM 1403 O LYS A 90 -13.380 -13.765 -0.652 1.00 1.03 O ATOM 1404 CB LYS A 90 -11.114 -13.300 -2.645 1.00 0.79 C ATOM 1405 CG LYS A 90 -10.811 -13.092 -4.151 1.00 0.89 C ATOM 1406 CD LYS A 90 -9.307 -13.130 -4.347 1.00 2.09 C ATOM 1407 CE LYS A 90 -8.823 -12.872 -5.775 1.00 1.86 C ATOM 1408 NZ LYS A 90 -9.257 -13.902 -6.736 1.00 2.39 N ATOM 0 H LYS A 90 -10.733 -10.858 -1.749 1.00 0.80 H new ATOM 0 HA LYS A 90 -13.012 -12.382 -2.899 1.00 0.84 H new ATOM 0 HB2 LYS A 90 -10.206 -13.159 -2.059 1.00 0.79 H new ATOM 0 HB3 LYS A 90 -11.450 -14.322 -2.470 1.00 0.79 H new ATOM 0 HG2 LYS A 90 -11.291 -13.870 -4.745 1.00 0.89 H new ATOM 0 HG3 LYS A 90 -11.214 -12.138 -4.491 1.00 0.89 H new ATOM 0 HD2 LYS A 90 -8.853 -12.389 -3.689 1.00 2.09 H new ATOM 0 HD3 LYS A 90 -8.941 -14.106 -4.029 1.00 2.09 H new ATOM 0 HE2 LYS A 90 -9.190 -11.900 -6.105 1.00 1.86 H new ATOM 0 HE3 LYS A 90 -7.734 -12.819 -5.778 1.00 1.86 H new ATOM 0 HZ1 LYS A 90 -8.527 -14.025 -7.467 1.00 2.39 H new ATOM 0 HZ2 LYS A 90 -9.402 -14.803 -6.237 1.00 2.39 H new ATOM 0 HZ3 LYS A 90 -10.148 -13.606 -7.183 1.00 2.39 H new ATOM 1422 N ARG A 91 -12.870 -11.707 0.091 1.00 1.02 N ATOM 1423 CA ARG A 91 -13.659 -11.688 1.327 1.00 1.12 C ATOM 1424 C ARG A 91 -14.494 -10.395 1.333 1.00 1.09 C ATOM 1425 O ARG A 91 -13.966 -9.377 0.883 1.00 1.17 O ATOM 1426 CB ARG A 91 -12.721 -11.650 2.557 1.00 1.47 C ATOM 1427 CG ARG A 91 -11.814 -12.878 2.736 1.00 1.76 C ATOM 1428 CD ARG A 91 -12.554 -14.142 3.173 1.00 2.46 C ATOM 1429 NE ARG A 91 -12.961 -14.094 4.589 1.00 3.21 N ATOM 1430 CZ ARG A 91 -13.756 -14.961 5.202 1.00 4.27 C ATOM 1431 NH1 ARG A 91 -14.400 -15.916 4.560 1.00 5.15 N ATOM 1432 NH2 ARG A 91 -13.897 -14.870 6.499 1.00 5.14 N ATOM 0 H ARG A 91 -12.290 -10.873 -0.002 1.00 1.02 H new ATOM 0 HA ARG A 91 -14.287 -12.577 1.373 1.00 1.12 H new ATOM 0 HB2 ARG A 91 -12.092 -10.763 2.485 1.00 1.47 H new ATOM 0 HB3 ARG A 91 -13.331 -11.537 3.453 1.00 1.47 H new ATOM 0 HG2 ARG A 91 -11.301 -13.077 1.795 1.00 1.76 H new ATOM 0 HG3 ARG A 91 -11.047 -12.645 3.475 1.00 1.76 H new ATOM 0 HD2 ARG A 91 -13.437 -14.277 2.548 1.00 2.46 H new ATOM 0 HD3 ARG A 91 -11.914 -15.009 3.011 1.00 2.46 H new ATOM 0 HE ARG A 91 -12.598 -13.323 5.149 1.00 3.21 H new ATOM 0 HH11 ARG A 91 -14.297 -16.010 3.550 1.00 5.15 H new ATOM 0 HH12 ARG A 91 -15.001 -16.560 5.074 1.00 5.15 H new ATOM 0 HH21 ARG A 91 -13.401 -14.144 7.016 1.00 5.14 H new ATOM 0 HH22 ARG A 91 -14.503 -15.525 6.993 1.00 5.14 H new ATOM 1446 N PRO A 92 -15.719 -10.373 1.894 1.00 1.21 N ATOM 1447 CA PRO A 92 -16.227 -9.149 2.498 1.00 1.32 C ATOM 1448 C PRO A 92 -15.263 -8.840 3.650 1.00 1.33 C ATOM 1449 O PRO A 92 -15.028 -9.710 4.487 1.00 1.68 O ATOM 1450 CB PRO A 92 -17.650 -9.473 2.954 1.00 1.55 C ATOM 1451 CG PRO A 92 -17.609 -10.976 3.238 1.00 1.58 C ATOM 1452 CD PRO A 92 -16.539 -11.516 2.283 1.00 1.35 C ATOM 0 HA PRO A 92 -16.275 -8.276 1.847 1.00 1.32 H new ATOM 0 HB2 PRO A 92 -17.924 -8.905 3.843 1.00 1.55 H new ATOM 0 HB3 PRO A 92 -18.382 -9.231 2.183 1.00 1.55 H new ATOM 0 HG2 PRO A 92 -17.351 -11.177 4.278 1.00 1.58 H new ATOM 0 HG3 PRO A 92 -18.577 -11.442 3.054 1.00 1.58 H new ATOM 0 HD2 PRO A 92 -15.934 -12.280 2.770 1.00 1.35 H new ATOM 0 HD3 PRO A 92 -16.997 -11.981 1.410 1.00 1.35 H new ATOM 1460 N LEU A 93 -14.612 -7.672 3.612 1.00 1.25 N ATOM 1461 CA LEU A 93 -13.351 -7.433 4.319 1.00 1.33 C ATOM 1462 C LEU A 93 -13.583 -7.217 5.817 1.00 1.35 C ATOM 1463 O LEU A 93 -13.649 -6.097 6.313 1.00 1.87 O ATOM 1464 CB LEU A 93 -12.588 -6.273 3.631 1.00 1.64 C ATOM 1465 CG LEU A 93 -11.054 -6.447 3.645 1.00 1.39 C ATOM 1466 CD1 LEU A 93 -10.600 -7.556 2.685 1.00 2.50 C ATOM 1467 CD2 LEU A 93 -10.372 -5.137 3.221 1.00 2.33 C ATOM 0 H LEU A 93 -14.947 -6.864 3.088 1.00 1.25 H new ATOM 0 HA LEU A 93 -12.718 -8.318 4.256 1.00 1.33 H new ATOM 0 HB2 LEU A 93 -12.926 -6.189 2.598 1.00 1.64 H new ATOM 0 HB3 LEU A 93 -12.843 -5.337 4.127 1.00 1.64 H new ATOM 0 HG LEU A 93 -10.770 -6.718 4.662 1.00 1.39 H new ATOM 0 HD11 LEU A 93 -9.515 -7.648 2.723 1.00 2.50 H new ATOM 0 HD12 LEU A 93 -11.055 -8.501 2.980 1.00 2.50 H new ATOM 0 HD13 LEU A 93 -10.908 -7.307 1.669 1.00 2.50 H new ATOM 0 HD21 LEU A 93 -9.290 -5.269 3.234 1.00 2.33 H new ATOM 0 HD22 LEU A 93 -10.693 -4.869 2.214 1.00 2.33 H new ATOM 0 HD23 LEU A 93 -10.649 -4.342 3.914 1.00 2.33 H new ATOM 1479 N LYS A 94 -13.764 -8.297 6.570 1.00 1.64 N ATOM 1480 CA LYS A 94 -14.206 -8.285 7.935 1.00 2.11 C ATOM 1481 C LYS A 94 -13.167 -7.594 8.846 1.00 1.97 C ATOM 1482 O LYS A 94 -12.081 -8.112 9.097 1.00 2.37 O ATOM 1483 CB LYS A 94 -14.476 -9.781 8.168 1.00 2.90 C ATOM 1484 CG LYS A 94 -15.115 -10.211 9.471 1.00 2.62 C ATOM 1485 CD LYS A 94 -14.298 -9.774 10.690 1.00 3.70 C ATOM 1486 CE LYS A 94 -14.604 -10.483 12.007 1.00 5.01 C ATOM 1487 NZ LYS A 94 -13.644 -10.011 13.038 1.00 6.18 N ATOM 0 H LYS A 94 -13.596 -9.239 6.218 1.00 1.64 H new ATOM 0 HA LYS A 94 -15.094 -7.696 8.167 1.00 2.11 H new ATOM 0 HB2 LYS A 94 -15.113 -10.132 7.356 1.00 2.90 H new ATOM 0 HB3 LYS A 94 -13.525 -10.306 8.077 1.00 2.90 H new ATOM 0 HG2 LYS A 94 -16.118 -9.789 9.538 1.00 2.62 H new ATOM 0 HG3 LYS A 94 -15.224 -11.295 9.479 1.00 2.62 H new ATOM 0 HD2 LYS A 94 -13.242 -9.919 10.462 1.00 3.70 H new ATOM 0 HD3 LYS A 94 -14.449 -8.704 10.836 1.00 3.70 H new ATOM 0 HE2 LYS A 94 -15.627 -10.274 12.320 1.00 5.01 H new ATOM 0 HE3 LYS A 94 -14.523 -11.563 11.882 1.00 5.01 H new ATOM 0 HZ1 LYS A 94 -13.970 -10.310 13.979 1.00 6.18 H new ATOM 0 HZ2 LYS A 94 -12.706 -10.419 12.851 1.00 6.18 H new ATOM 0 HZ3 LYS A 94 -13.583 -8.973 13.006 1.00 6.18 H new ATOM 1501 N ALA A 95 -13.537 -6.448 9.430 1.00 1.69 N ATOM 1502 CA ALA A 95 -12.783 -5.750 10.471 1.00 1.49 C ATOM 1503 C ALA A 95 -12.400 -6.700 11.622 1.00 1.27 C ATOM 1504 O ALA A 95 -13.248 -7.270 12.319 1.00 1.25 O ATOM 1505 CB ALA A 95 -13.593 -4.536 10.942 1.00 1.67 C ATOM 0 H ALA A 95 -14.401 -5.967 9.180 1.00 1.69 H new ATOM 0 HA ALA A 95 -11.838 -5.391 10.064 1.00 1.49 H new ATOM 0 HB1 ALA A 95 -13.039 -4.008 11.719 1.00 1.67 H new ATOM 0 HB2 ALA A 95 -13.766 -3.865 10.100 1.00 1.67 H new ATOM 0 HB3 ALA A 95 -14.550 -4.870 11.342 1.00 1.67 H new ATOM 1511 N GLY A 96 -11.099 -6.911 11.770 1.00 1.29 N ATOM 1512 CA GLY A 96 -10.502 -7.925 12.642 1.00 1.28 C ATOM 1513 C GLY A 96 -10.411 -9.301 11.973 1.00 1.33 C ATOM 1514 O GLY A 96 -10.816 -10.287 12.585 1.00 1.60 O ATOM 0 H GLY A 96 -10.400 -6.362 11.269 1.00 1.29 H new ATOM 0 HA2 GLY A 96 -9.504 -7.602 12.937 1.00 1.28 H new ATOM 0 HA3 GLY A 96 -11.093 -8.007 13.554 1.00 1.28 H new ATOM 1518 N GLU A 97 -9.968 -9.347 10.715 1.00 1.32 N ATOM 1519 CA GLU A 97 -9.152 -10.413 10.130 1.00 1.32 C ATOM 1520 C GLU A 97 -7.683 -9.952 10.070 1.00 1.07 C ATOM 1521 O GLU A 97 -7.337 -8.829 10.457 1.00 0.88 O ATOM 1522 CB GLU A 97 -9.638 -10.758 8.702 1.00 1.56 C ATOM 1523 CG GLU A 97 -11.029 -11.394 8.701 1.00 1.94 C ATOM 1524 CD GLU A 97 -11.534 -11.900 7.338 1.00 2.05 C ATOM 1525 OE1 GLU A 97 -11.429 -11.198 6.311 1.00 2.46 O ATOM 1526 OE2 GLU A 97 -12.160 -12.984 7.324 1.00 3.01 O ATOM 0 H GLU A 97 -10.178 -8.607 10.045 1.00 1.32 H new ATOM 0 HA GLU A 97 -9.243 -11.303 10.752 1.00 1.32 H new ATOM 0 HB2 GLU A 97 -9.655 -9.851 8.097 1.00 1.56 H new ATOM 0 HB3 GLU A 97 -8.928 -11.440 8.234 1.00 1.56 H new ATOM 0 HG2 GLU A 97 -11.025 -12.231 9.399 1.00 1.94 H new ATOM 0 HG3 GLU A 97 -11.742 -10.663 9.083 1.00 1.94 H new ATOM 1533 N GLU A 98 -6.842 -10.809 9.504 1.00 1.17 N ATOM 1534 CA GLU A 98 -5.419 -10.673 9.256 1.00 1.08 C ATOM 1535 C GLU A 98 -5.262 -11.070 7.785 1.00 1.05 C ATOM 1536 O GLU A 98 -5.765 -12.107 7.360 1.00 1.40 O ATOM 1537 CB GLU A 98 -4.634 -11.626 10.180 1.00 1.28 C ATOM 1538 CG GLU A 98 -4.656 -11.179 11.655 1.00 2.36 C ATOM 1539 CD GLU A 98 -4.294 -12.296 12.644 1.00 2.82 C ATOM 1540 OE1 GLU A 98 -3.472 -13.169 12.294 1.00 3.21 O ATOM 1541 OE2 GLU A 98 -4.859 -12.257 13.761 1.00 3.89 O ATOM 0 H GLU A 98 -7.181 -11.712 9.173 1.00 1.17 H new ATOM 0 HA GLU A 98 -5.038 -9.671 9.452 1.00 1.08 H new ATOM 0 HB2 GLU A 98 -5.055 -12.629 10.102 1.00 1.28 H new ATOM 0 HB3 GLU A 98 -3.601 -11.687 9.839 1.00 1.28 H new ATOM 0 HG2 GLU A 98 -3.959 -10.351 11.785 1.00 2.36 H new ATOM 0 HG3 GLU A 98 -5.649 -10.800 11.896 1.00 2.36 H new ATOM 1548 N VAL A 99 -4.657 -10.196 6.993 1.00 0.73 N ATOM 1549 CA VAL A 99 -4.542 -10.279 5.531 1.00 0.68 C ATOM 1550 C VAL A 99 -3.081 -10.102 5.138 1.00 0.65 C ATOM 1551 O VAL A 99 -2.480 -9.073 5.429 1.00 0.73 O ATOM 1552 CB VAL A 99 -5.434 -9.200 4.861 1.00 0.74 C ATOM 1553 CG1 VAL A 99 -5.017 -8.853 3.419 1.00 1.01 C ATOM 1554 CG2 VAL A 99 -6.892 -9.694 4.834 1.00 0.87 C ATOM 0 H VAL A 99 -4.206 -9.361 7.367 1.00 0.73 H new ATOM 0 HA VAL A 99 -4.886 -11.255 5.187 1.00 0.68 H new ATOM 0 HB VAL A 99 -5.318 -8.295 5.458 1.00 0.74 H new ATOM 0 HG11 VAL A 99 -5.688 -8.092 3.019 1.00 1.01 H new ATOM 0 HG12 VAL A 99 -3.995 -8.473 3.417 1.00 1.01 H new ATOM 0 HG13 VAL A 99 -5.073 -9.748 2.799 1.00 1.01 H new ATOM 0 HG21 VAL A 99 -7.523 -8.940 4.364 1.00 0.87 H new ATOM 0 HG22 VAL A 99 -6.951 -10.622 4.265 1.00 0.87 H new ATOM 0 HG23 VAL A 99 -7.235 -9.871 5.853 1.00 0.87 H new ATOM 1564 N GLU A 100 -2.519 -11.088 4.438 1.00 0.73 N ATOM 1565 CA GLU A 100 -1.190 -10.967 3.836 1.00 0.75 C ATOM 1566 C GLU A 100 -1.217 -10.225 2.490 1.00 0.60 C ATOM 1567 O GLU A 100 -2.154 -10.349 1.694 1.00 0.60 O ATOM 1568 CB GLU A 100 -0.471 -12.327 3.737 1.00 1.11 C ATOM 1569 CG GLU A 100 -1.250 -13.403 2.965 1.00 1.34 C ATOM 1570 CD GLU A 100 -0.381 -14.602 2.580 1.00 1.44 C ATOM 1571 OE1 GLU A 100 0.602 -14.928 3.275 1.00 2.03 O ATOM 1572 OE2 GLU A 100 -0.638 -15.209 1.520 1.00 2.25 O ATOM 0 H GLU A 100 -2.969 -11.988 4.273 1.00 0.73 H new ATOM 0 HA GLU A 100 -0.602 -10.349 4.514 1.00 0.75 H new ATOM 0 HB2 GLU A 100 0.495 -12.179 3.254 1.00 1.11 H new ATOM 0 HB3 GLU A 100 -0.272 -12.693 4.744 1.00 1.11 H new ATOM 0 HG2 GLU A 100 -2.086 -13.747 3.574 1.00 1.34 H new ATOM 0 HG3 GLU A 100 -1.673 -12.962 2.062 1.00 1.34 H new ATOM 1579 N LEU A 101 -0.135 -9.486 2.228 1.00 0.65 N ATOM 1580 CA LEU A 101 0.247 -8.969 0.914 1.00 0.59 C ATOM 1581 C LEU A 101 1.634 -9.503 0.529 1.00 0.56 C ATOM 1582 O LEU A 101 2.570 -9.488 1.334 1.00 0.71 O ATOM 1583 CB LEU A 101 0.254 -7.424 0.907 1.00 0.71 C ATOM 1584 CG LEU A 101 -0.985 -6.745 0.281 1.00 0.98 C ATOM 1585 CD1 LEU A 101 -2.277 -6.883 1.100 1.00 1.65 C ATOM 1586 CD2 LEU A 101 -0.711 -5.251 0.064 1.00 1.60 C ATOM 0 H LEU A 101 0.526 -9.221 2.958 1.00 0.65 H new ATOM 0 HA LEU A 101 -0.488 -9.308 0.184 1.00 0.59 H new ATOM 0 HB2 LEU A 101 0.354 -7.076 1.935 1.00 0.71 H new ATOM 0 HB3 LEU A 101 1.140 -7.087 0.369 1.00 0.71 H new ATOM 0 HG LEU A 101 -1.149 -7.270 -0.660 1.00 0.98 H new ATOM 0 HD11 LEU A 101 -3.092 -6.376 0.583 1.00 1.65 H new ATOM 0 HD12 LEU A 101 -2.523 -7.938 1.217 1.00 1.65 H new ATOM 0 HD13 LEU A 101 -2.135 -6.433 2.082 1.00 1.65 H new ATOM 0 HD21 LEU A 101 -1.589 -4.780 -0.378 1.00 1.60 H new ATOM 0 HD22 LEU A 101 -0.489 -4.779 1.021 1.00 1.60 H new ATOM 0 HD23 LEU A 101 0.140 -5.131 -0.606 1.00 1.60 H new ATOM 1598 N ASP A 102 1.746 -9.887 -0.742 1.00 0.53 N ATOM 1599 CA ASP A 102 2.996 -10.021 -1.505 1.00 0.58 C ATOM 1600 C ASP A 102 3.445 -8.617 -1.937 1.00 0.54 C ATOM 1601 O ASP A 102 2.620 -7.753 -2.243 1.00 0.74 O ATOM 1602 CB ASP A 102 2.742 -10.783 -2.819 1.00 0.81 C ATOM 1603 CG ASP A 102 2.886 -12.307 -2.900 1.00 1.32 C ATOM 1604 OD1 ASP A 102 3.086 -12.967 -1.862 1.00 1.81 O ATOM 1605 OD2 ASP A 102 2.735 -12.803 -4.048 1.00 2.71 O ATOM 0 H ASP A 102 0.927 -10.127 -1.301 1.00 0.53 H new ATOM 0 HA ASP A 102 3.727 -10.537 -0.882 1.00 0.58 H new ATOM 0 HB2 ASP A 102 1.726 -10.543 -3.133 1.00 0.81 H new ATOM 0 HB3 ASP A 102 3.415 -10.361 -3.566 1.00 0.81 H new ATOM 1610 N LEU A 103 4.756 -8.417 -2.050 1.00 0.60 N ATOM 1611 CA LEU A 103 5.390 -7.198 -2.528 1.00 0.55 C ATOM 1612 C LEU A 103 6.360 -7.565 -3.655 1.00 0.52 C ATOM 1613 O LEU A 103 7.149 -8.504 -3.529 1.00 0.60 O ATOM 1614 CB LEU A 103 6.124 -6.504 -1.369 1.00 0.58 C ATOM 1615 CG LEU A 103 5.225 -6.054 -0.194 1.00 0.67 C ATOM 1616 CD1 LEU A 103 5.087 -7.142 0.883 1.00 0.75 C ATOM 1617 CD2 LEU A 103 5.847 -4.824 0.472 1.00 1.00 C ATOM 0 H LEU A 103 5.434 -9.136 -1.798 1.00 0.60 H new ATOM 0 HA LEU A 103 4.642 -6.504 -2.912 1.00 0.55 H new ATOM 0 HB2 LEU A 103 6.885 -7.183 -0.984 1.00 0.58 H new ATOM 0 HB3 LEU A 103 6.645 -5.631 -1.761 1.00 0.58 H new ATOM 0 HG LEU A 103 4.239 -5.840 -0.607 1.00 0.67 H new ATOM 0 HD11 LEU A 103 4.447 -6.779 1.687 1.00 0.75 H new ATOM 0 HD12 LEU A 103 4.645 -8.036 0.443 1.00 0.75 H new ATOM 0 HD13 LEU A 103 6.071 -7.384 1.284 1.00 0.75 H new ATOM 0 HD21 LEU A 103 5.217 -4.502 1.301 1.00 1.00 H new ATOM 0 HD22 LEU A 103 6.839 -5.076 0.846 1.00 1.00 H new ATOM 0 HD23 LEU A 103 5.928 -4.017 -0.257 1.00 1.00 H new ATOM 1629 N LEU A 104 6.294 -6.826 -4.763 1.00 0.51 N ATOM 1630 CA LEU A 104 7.062 -7.078 -5.981 1.00 0.52 C ATOM 1631 C LEU A 104 8.186 -6.041 -6.100 1.00 0.50 C ATOM 1632 O LEU A 104 7.940 -4.830 -6.193 1.00 0.49 O ATOM 1633 CB LEU A 104 6.097 -7.049 -7.186 1.00 0.55 C ATOM 1634 CG LEU A 104 4.969 -8.108 -7.146 1.00 0.58 C ATOM 1635 CD1 LEU A 104 4.094 -7.996 -8.401 1.00 0.60 C ATOM 1636 CD2 LEU A 104 5.500 -9.543 -7.039 1.00 0.69 C ATOM 0 H LEU A 104 5.686 -6.011 -4.839 1.00 0.51 H new ATOM 0 HA LEU A 104 7.535 -8.060 -5.953 1.00 0.52 H new ATOM 0 HB2 LEU A 104 5.644 -6.059 -7.246 1.00 0.55 H new ATOM 0 HB3 LEU A 104 6.675 -7.190 -8.099 1.00 0.55 H new ATOM 0 HG LEU A 104 4.385 -7.901 -6.249 1.00 0.58 H new ATOM 0 HD11 LEU A 104 3.304 -8.746 -8.362 1.00 0.60 H new ATOM 0 HD12 LEU A 104 3.649 -7.002 -8.447 1.00 0.60 H new ATOM 0 HD13 LEU A 104 4.707 -8.160 -9.287 1.00 0.60 H new ATOM 0 HD21 LEU A 104 4.662 -10.240 -7.015 1.00 0.69 H new ATOM 0 HD22 LEU A 104 6.131 -9.763 -7.901 1.00 0.69 H new ATOM 0 HD23 LEU A 104 6.085 -9.647 -6.125 1.00 0.69 H new ATOM 1648 N PHE A 105 9.433 -6.520 -6.096 1.00 0.55 N ATOM 1649 CA PHE A 105 10.650 -5.713 -6.046 1.00 0.54 C ATOM 1650 C PHE A 105 11.499 -5.883 -7.314 1.00 0.64 C ATOM 1651 O PHE A 105 11.995 -6.973 -7.597 1.00 1.03 O ATOM 1652 CB PHE A 105 11.456 -6.101 -4.803 1.00 0.55 C ATOM 1653 CG PHE A 105 10.812 -5.665 -3.506 1.00 0.54 C ATOM 1654 CD1 PHE A 105 10.868 -4.314 -3.114 1.00 1.86 C ATOM 1655 CD2 PHE A 105 10.149 -6.604 -2.696 1.00 1.82 C ATOM 1656 CE1 PHE A 105 10.269 -3.906 -1.910 1.00 1.92 C ATOM 1657 CE2 PHE A 105 9.557 -6.192 -1.493 1.00 1.82 C ATOM 1658 CZ PHE A 105 9.605 -4.845 -1.105 1.00 0.72 C ATOM 0 H PHE A 105 9.627 -7.521 -6.129 1.00 0.55 H new ATOM 0 HA PHE A 105 10.367 -4.662 -5.990 1.00 0.54 H new ATOM 0 HB2 PHE A 105 11.588 -7.183 -4.788 1.00 0.55 H new ATOM 0 HB3 PHE A 105 12.450 -5.660 -4.872 1.00 0.55 H new ATOM 0 HD1 PHE A 105 11.371 -3.591 -3.739 1.00 1.86 H new ATOM 0 HD2 PHE A 105 10.096 -7.639 -2.999 1.00 1.82 H new ATOM 0 HE1 PHE A 105 10.319 -2.871 -1.604 1.00 1.92 H new ATOM 0 HE2 PHE A 105 9.062 -6.916 -0.862 1.00 1.82 H new ATOM 0 HZ PHE A 105 9.131 -4.530 -0.187 1.00 0.72 H new ATOM 1668 N ALA A 106 11.697 -4.782 -8.050 1.00 0.57 N ATOM 1669 CA ALA A 106 12.527 -4.676 -9.262 1.00 0.66 C ATOM 1670 C ALA A 106 12.193 -5.719 -10.355 1.00 1.71 C ATOM 1671 O ALA A 106 13.042 -6.040 -11.184 1.00 2.83 O ATOM 1672 CB ALA A 106 14.008 -4.692 -8.844 1.00 1.51 C ATOM 0 H ALA A 106 11.261 -3.893 -7.805 1.00 0.57 H new ATOM 0 HA ALA A 106 12.298 -3.728 -9.748 1.00 0.66 H new ATOM 0 HB1 ALA A 106 14.637 -4.614 -9.731 1.00 1.51 H new ATOM 0 HB2 ALA A 106 14.208 -3.850 -8.182 1.00 1.51 H new ATOM 0 HB3 ALA A 106 14.229 -5.624 -8.323 1.00 1.51 H new ATOM 1678 N GLY A 107 10.986 -6.297 -10.317 1.00 2.50 N ATOM 1679 CA GLY A 107 10.586 -7.469 -11.099 1.00 3.73 C ATOM 1680 C GLY A 107 11.099 -8.777 -10.489 1.00 3.07 C ATOM 1681 O GLY A 107 10.302 -9.627 -10.107 1.00 4.42 O ATOM 0 H GLY A 107 10.237 -5.948 -9.720 1.00 2.50 H new ATOM 0 HA2 GLY A 107 9.499 -7.504 -11.167 1.00 3.73 H new ATOM 0 HA3 GLY A 107 10.966 -7.371 -12.116 1.00 3.73 H new ATOM 1685 N GLY A 108 12.426 -8.932 -10.395 1.00 1.51 N ATOM 1686 CA GLY A 108 13.103 -10.211 -10.114 1.00 1.60 C ATOM 1687 C GLY A 108 13.128 -10.682 -8.655 1.00 1.51 C ATOM 1688 O GLY A 108 13.774 -11.687 -8.361 1.00 2.04 O ATOM 0 H GLY A 108 13.076 -8.155 -10.515 1.00 1.51 H new ATOM 0 HA2 GLY A 108 12.623 -10.986 -10.712 1.00 1.60 H new ATOM 0 HA3 GLY A 108 14.133 -10.132 -10.462 1.00 1.60 H new ATOM 1692 N LYS A 109 12.468 -9.982 -7.726 1.00 1.06 N ATOM 1693 CA LYS A 109 12.334 -10.382 -6.315 1.00 0.99 C ATOM 1694 C LYS A 109 10.883 -10.282 -5.819 1.00 0.93 C ATOM 1695 O LYS A 109 10.198 -9.298 -6.086 1.00 0.92 O ATOM 1696 CB LYS A 109 13.247 -9.501 -5.442 1.00 0.91 C ATOM 1697 CG LYS A 109 14.712 -9.949 -5.481 1.00 1.27 C ATOM 1698 CD LYS A 109 15.612 -8.877 -4.850 1.00 1.49 C ATOM 1699 CE LYS A 109 17.073 -9.345 -4.842 1.00 2.42 C ATOM 1700 NZ LYS A 109 17.983 -8.313 -4.286 1.00 3.45 N ATOM 0 H LYS A 109 12.000 -9.100 -7.936 1.00 1.06 H new ATOM 0 HA LYS A 109 12.633 -11.427 -6.236 1.00 0.99 H new ATOM 0 HB2 LYS A 109 13.178 -8.467 -5.780 1.00 0.91 H new ATOM 0 HB3 LYS A 109 12.891 -9.524 -4.412 1.00 0.91 H new ATOM 0 HG2 LYS A 109 14.826 -10.891 -4.945 1.00 1.27 H new ATOM 0 HG3 LYS A 109 15.017 -10.130 -6.512 1.00 1.27 H new ATOM 0 HD2 LYS A 109 15.525 -7.945 -5.408 1.00 1.49 H new ATOM 0 HD3 LYS A 109 15.284 -8.671 -3.831 1.00 1.49 H new ATOM 0 HE2 LYS A 109 17.158 -10.259 -4.254 1.00 2.42 H new ATOM 0 HE3 LYS A 109 17.381 -9.591 -5.858 1.00 2.42 H new ATOM 0 HZ1 LYS A 109 18.960 -8.669 -4.298 1.00 3.45 H new ATOM 0 HZ2 LYS A 109 17.922 -7.449 -4.862 1.00 3.45 H new ATOM 0 HZ3 LYS A 109 17.706 -8.097 -3.307 1.00 3.45 H new ATOM 1714 N VAL A 110 10.468 -11.265 -5.018 1.00 0.96 N ATOM 1715 CA VAL A 110 9.185 -11.289 -4.290 1.00 0.88 C ATOM 1716 C VAL A 110 9.450 -11.556 -2.802 1.00 0.91 C ATOM 1717 O VAL A 110 10.393 -12.271 -2.459 1.00 1.03 O ATOM 1718 CB VAL A 110 8.194 -12.344 -4.856 1.00 0.89 C ATOM 1719 CG1 VAL A 110 6.786 -12.236 -4.231 1.00 1.87 C ATOM 1720 CG2 VAL A 110 8.060 -12.226 -6.386 1.00 2.10 C ATOM 0 H VAL A 110 11.031 -12.098 -4.848 1.00 0.96 H new ATOM 0 HA VAL A 110 8.714 -10.315 -4.420 1.00 0.88 H new ATOM 0 HB VAL A 110 8.618 -13.313 -4.593 1.00 0.89 H new ATOM 0 HG11 VAL A 110 6.136 -12.997 -4.664 1.00 1.87 H new ATOM 0 HG12 VAL A 110 6.854 -12.387 -3.154 1.00 1.87 H new ATOM 0 HG13 VAL A 110 6.373 -11.248 -4.434 1.00 1.87 H new ATOM 0 HG21 VAL A 110 7.360 -12.978 -6.749 1.00 2.10 H new ATOM 0 HG22 VAL A 110 7.692 -11.233 -6.643 1.00 2.10 H new ATOM 0 HG23 VAL A 110 9.034 -12.383 -6.850 1.00 2.10 H new ATOM 1730 N LEU A 111 8.613 -10.969 -1.946 1.00 0.84 N ATOM 1731 CA LEU A 111 8.580 -11.099 -0.484 1.00 0.87 C ATOM 1732 C LEU A 111 7.125 -10.894 -0.032 1.00 0.83 C ATOM 1733 O LEU A 111 6.345 -10.327 -0.794 1.00 1.19 O ATOM 1734 CB LEU A 111 9.576 -10.064 0.087 1.00 1.00 C ATOM 1735 CG LEU A 111 9.676 -9.979 1.627 1.00 1.05 C ATOM 1736 CD1 LEU A 111 11.130 -9.726 2.057 1.00 1.92 C ATOM 1737 CD2 LEU A 111 8.803 -8.845 2.198 1.00 1.96 C ATOM 0 H LEU A 111 7.882 -10.341 -2.280 1.00 0.84 H new ATOM 0 HA LEU A 111 8.887 -12.079 -0.119 1.00 0.87 H new ATOM 0 HB2 LEU A 111 10.567 -10.291 -0.307 1.00 1.00 H new ATOM 0 HB3 LEU A 111 9.300 -9.080 -0.292 1.00 1.00 H new ATOM 0 HG LEU A 111 9.321 -10.933 2.017 1.00 1.05 H new ATOM 0 HD11 LEU A 111 11.183 -9.669 3.144 1.00 1.92 H new ATOM 0 HD12 LEU A 111 11.761 -10.542 1.705 1.00 1.92 H new ATOM 0 HD13 LEU A 111 11.479 -8.787 1.627 1.00 1.92 H new ATOM 0 HD21 LEU A 111 8.903 -8.820 3.283 1.00 1.96 H new ATOM 0 HD22 LEU A 111 9.128 -7.891 1.782 1.00 1.96 H new ATOM 0 HD23 LEU A 111 7.760 -9.020 1.933 1.00 1.96 H new ATOM 1749 N LYS A 112 6.730 -11.326 1.174 1.00 0.82 N ATOM 1750 CA LYS A 112 5.371 -11.073 1.680 1.00 0.96 C ATOM 1751 C LYS A 112 5.292 -10.829 3.195 1.00 0.84 C ATOM 1752 O LYS A 112 6.142 -11.311 3.943 1.00 1.01 O ATOM 1753 CB LYS A 112 4.400 -12.155 1.179 1.00 1.43 C ATOM 1754 CG LYS A 112 4.437 -13.544 1.830 1.00 1.36 C ATOM 1755 CD LYS A 112 3.274 -14.336 1.213 1.00 1.52 C ATOM 1756 CE LYS A 112 3.123 -15.750 1.769 1.00 1.34 C ATOM 1757 NZ LYS A 112 1.858 -16.343 1.276 1.00 1.76 N ATOM 0 H LYS A 112 7.327 -11.849 1.815 1.00 0.82 H new ATOM 0 HA LYS A 112 5.051 -10.120 1.259 1.00 0.96 H new ATOM 0 HB2 LYS A 112 3.388 -11.766 1.290 1.00 1.43 H new ATOM 0 HB3 LYS A 112 4.576 -12.287 0.111 1.00 1.43 H new ATOM 0 HG2 LYS A 112 5.390 -14.038 1.639 1.00 1.36 H new ATOM 0 HG3 LYS A 112 4.327 -13.470 2.912 1.00 1.36 H new ATOM 0 HD2 LYS A 112 2.346 -13.789 1.381 1.00 1.52 H new ATOM 0 HD3 LYS A 112 3.419 -14.394 0.134 1.00 1.52 H new ATOM 0 HE2 LYS A 112 3.969 -16.365 1.462 1.00 1.34 H new ATOM 0 HE3 LYS A 112 3.125 -15.726 2.859 1.00 1.34 H new ATOM 0 HZ1 LYS A 112 2.000 -17.355 1.085 1.00 1.76 H new ATOM 0 HZ2 LYS A 112 1.117 -16.227 1.996 1.00 1.76 H new ATOM 0 HZ3 LYS A 112 1.568 -15.863 0.400 1.00 1.76 H new ATOM 1771 N VAL A 113 4.276 -10.077 3.630 1.00 0.74 N ATOM 1772 CA VAL A 113 4.080 -9.624 5.026 1.00 0.80 C ATOM 1773 C VAL A 113 2.585 -9.653 5.366 1.00 0.79 C ATOM 1774 O VAL A 113 1.747 -9.601 4.465 1.00 0.95 O ATOM 1775 CB VAL A 113 4.650 -8.197 5.292 1.00 1.03 C ATOM 1776 CG1 VAL A 113 4.903 -7.941 6.790 1.00 1.76 C ATOM 1777 CG2 VAL A 113 5.980 -7.913 4.565 1.00 2.28 C ATOM 0 H VAL A 113 3.538 -9.752 3.005 1.00 0.74 H new ATOM 0 HA VAL A 113 4.635 -10.310 5.666 1.00 0.80 H new ATOM 0 HB VAL A 113 3.875 -7.535 4.905 1.00 1.03 H new ATOM 0 HG11 VAL A 113 5.300 -6.935 6.925 1.00 1.76 H new ATOM 0 HG12 VAL A 113 3.967 -8.039 7.339 1.00 1.76 H new ATOM 0 HG13 VAL A 113 5.622 -8.668 7.167 1.00 1.76 H new ATOM 0 HG21 VAL A 113 6.314 -6.902 4.798 1.00 2.28 H new ATOM 0 HG22 VAL A 113 6.734 -8.629 4.893 1.00 2.28 H new ATOM 0 HG23 VAL A 113 5.834 -8.007 3.489 1.00 2.28 H new ATOM 1787 N VAL A 114 2.259 -9.724 6.656 1.00 0.81 N ATOM 1788 CA VAL A 114 0.888 -9.670 7.182 1.00 0.85 C ATOM 1789 C VAL A 114 0.491 -8.200 7.405 1.00 1.09 C ATOM 1790 O VAL A 114 1.339 -7.305 7.410 1.00 1.81 O ATOM 1791 CB VAL A 114 0.750 -10.545 8.462 1.00 1.24 C ATOM 1792 CG1 VAL A 114 -0.661 -10.536 9.084 1.00 1.75 C ATOM 1793 CG2 VAL A 114 1.088 -12.011 8.115 1.00 1.49 C ATOM 0 H VAL A 114 2.961 -9.824 7.390 1.00 0.81 H new ATOM 0 HA VAL A 114 0.191 -10.093 6.458 1.00 0.85 H new ATOM 0 HB VAL A 114 1.437 -10.113 9.190 1.00 1.24 H new ATOM 0 HG11 VAL A 114 -0.672 -11.170 9.971 1.00 1.75 H new ATOM 0 HG12 VAL A 114 -0.929 -9.517 9.363 1.00 1.75 H new ATOM 0 HG13 VAL A 114 -1.381 -10.915 8.359 1.00 1.75 H new ATOM 0 HG21 VAL A 114 0.993 -12.628 9.009 1.00 1.49 H new ATOM 0 HG22 VAL A 114 0.400 -12.372 7.350 1.00 1.49 H new ATOM 0 HG23 VAL A 114 2.110 -12.070 7.741 1.00 1.49 H new ATOM 1803 N LEU A 115 -0.817 -7.956 7.514 1.00 0.77 N ATOM 1804 CA LEU A 115 -1.426 -6.740 8.039 1.00 0.78 C ATOM 1805 C LEU A 115 -2.854 -7.036 8.552 1.00 0.67 C ATOM 1806 O LEU A 115 -3.582 -7.790 7.892 1.00 0.71 O ATOM 1807 CB LEU A 115 -1.388 -5.581 7.023 1.00 0.97 C ATOM 1808 CG LEU A 115 -1.758 -5.851 5.552 1.00 1.51 C ATOM 1809 CD1 LEU A 115 -2.182 -4.526 4.902 1.00 2.44 C ATOM 1810 CD2 LEU A 115 -0.570 -6.424 4.763 1.00 2.08 C ATOM 0 H LEU A 115 -1.514 -8.641 7.222 1.00 0.77 H new ATOM 0 HA LEU A 115 -0.832 -6.402 8.888 1.00 0.78 H new ATOM 0 HB2 LEU A 115 -2.056 -4.802 7.390 1.00 0.97 H new ATOM 0 HB3 LEU A 115 -0.379 -5.168 7.036 1.00 0.97 H new ATOM 0 HG LEU A 115 -2.567 -6.581 5.532 1.00 1.51 H new ATOM 0 HD11 LEU A 115 -2.447 -4.701 3.859 1.00 2.44 H new ATOM 0 HD12 LEU A 115 -3.043 -4.120 5.432 1.00 2.44 H new ATOM 0 HD13 LEU A 115 -1.357 -3.816 4.952 1.00 2.44 H new ATOM 0 HD21 LEU A 115 -0.871 -6.601 3.730 1.00 2.08 H new ATOM 0 HD22 LEU A 115 0.257 -5.714 4.784 1.00 2.08 H new ATOM 0 HD23 LEU A 115 -0.253 -7.364 5.215 1.00 2.08 H new ATOM 1822 N PRO A 116 -3.297 -6.462 9.689 1.00 0.60 N ATOM 1823 CA PRO A 116 -4.670 -6.593 10.170 1.00 0.57 C ATOM 1824 C PRO A 116 -5.665 -5.849 9.274 1.00 0.59 C ATOM 1825 O PRO A 116 -5.368 -4.768 8.749 1.00 0.73 O ATOM 1826 CB PRO A 116 -4.668 -6.030 11.596 1.00 0.62 C ATOM 1827 CG PRO A 116 -3.509 -5.039 11.588 1.00 0.58 C ATOM 1828 CD PRO A 116 -2.508 -5.718 10.657 1.00 0.61 C ATOM 0 HA PRO A 116 -4.992 -7.634 10.152 1.00 0.57 H new ATOM 0 HB2 PRO A 116 -5.612 -5.541 11.835 1.00 0.62 H new ATOM 0 HB3 PRO A 116 -4.519 -6.815 12.337 1.00 0.62 H new ATOM 0 HG2 PRO A 116 -3.813 -4.061 11.215 1.00 0.58 H new ATOM 0 HG3 PRO A 116 -3.098 -4.886 12.586 1.00 0.58 H new ATOM 0 HD2 PRO A 116 -1.876 -4.982 10.161 1.00 0.61 H new ATOM 0 HD3 PRO A 116 -1.847 -6.382 11.214 1.00 0.61 H new ATOM 1836 N VAL A 117 -6.876 -6.408 9.150 1.00 0.75 N ATOM 1837 CA VAL A 117 -8.018 -5.697 8.559 1.00 0.87 C ATOM 1838 C VAL A 117 -8.611 -4.760 9.610 1.00 0.87 C ATOM 1839 O VAL A 117 -9.129 -5.201 10.634 1.00 0.87 O ATOM 1840 CB VAL A 117 -9.099 -6.650 8.011 1.00 0.98 C ATOM 1841 CG1 VAL A 117 -10.265 -5.862 7.385 1.00 1.17 C ATOM 1842 CG2 VAL A 117 -8.507 -7.565 6.929 1.00 0.92 C ATOM 0 H VAL A 117 -7.091 -7.358 9.454 1.00 0.75 H new ATOM 0 HA VAL A 117 -7.655 -5.128 7.703 1.00 0.87 H new ATOM 0 HB VAL A 117 -9.465 -7.243 8.850 1.00 0.98 H new ATOM 0 HG11 VAL A 117 -11.013 -6.559 7.006 1.00 1.17 H new ATOM 0 HG12 VAL A 117 -10.717 -5.219 8.141 1.00 1.17 H new ATOM 0 HG13 VAL A 117 -9.891 -5.250 6.564 1.00 1.17 H new ATOM 0 HG21 VAL A 117 -9.283 -8.232 6.552 1.00 0.92 H new ATOM 0 HG22 VAL A 117 -8.121 -6.958 6.110 1.00 0.92 H new ATOM 0 HG23 VAL A 117 -7.696 -8.156 7.356 1.00 0.92 H new ATOM 1852 N GLU A 118 -8.553 -3.462 9.337 1.00 0.95 N ATOM 1853 CA GLU A 118 -9.013 -2.382 10.211 1.00 0.93 C ATOM 1854 C GLU A 118 -9.772 -1.331 9.395 1.00 1.03 C ATOM 1855 O GLU A 118 -9.842 -1.432 8.174 1.00 1.32 O ATOM 1856 CB GLU A 118 -7.810 -1.715 10.884 1.00 1.12 C ATOM 1857 CG GLU A 118 -7.105 -2.586 11.925 1.00 2.06 C ATOM 1858 CD GLU A 118 -6.118 -1.695 12.662 1.00 3.13 C ATOM 1859 OE1 GLU A 118 -6.565 -0.854 13.475 1.00 3.47 O ATOM 1860 OE2 GLU A 118 -4.940 -1.645 12.257 1.00 4.41 O ATOM 0 H GLU A 118 -8.166 -3.114 8.460 1.00 0.95 H new ATOM 0 HA GLU A 118 -9.675 -2.803 10.968 1.00 0.93 H new ATOM 0 HB2 GLU A 118 -7.090 -1.433 10.116 1.00 1.12 H new ATOM 0 HB3 GLU A 118 -8.142 -0.794 11.363 1.00 1.12 H new ATOM 0 HG2 GLU A 118 -7.827 -3.017 12.619 1.00 2.06 H new ATOM 0 HG3 GLU A 118 -6.589 -3.417 11.445 1.00 2.06 H new ATOM 1867 N ALA A 119 -10.319 -0.311 10.063 1.00 1.15 N ATOM 1868 CA ALA A 119 -10.970 0.830 9.431 1.00 1.46 C ATOM 1869 C ALA A 119 -10.182 2.130 9.665 1.00 1.89 C ATOM 1870 O ALA A 119 -9.733 2.384 10.792 1.00 2.50 O ATOM 1871 CB ALA A 119 -12.406 0.930 9.956 1.00 1.72 C ATOM 0 H ALA A 119 -10.319 -0.259 11.082 1.00 1.15 H new ATOM 0 HA ALA A 119 -10.995 0.681 8.351 1.00 1.46 H new ATOM 0 HB1 ALA A 119 -12.905 1.780 9.491 1.00 1.72 H new ATOM 0 HB2 ALA A 119 -12.947 0.015 9.714 1.00 1.72 H new ATOM 0 HB3 ALA A 119 -12.389 1.066 11.037 1.00 1.72 H new ATOM 1877 N ARG A 120 -10.065 2.916 8.581 1.00 2.12 N ATOM 1878 CA ARG A 120 -9.592 4.316 8.435 1.00 2.61 C ATOM 1879 C ARG A 120 -9.156 4.611 7.000 1.00 3.33 C ATOM 1880 O ARG A 120 -10.023 5.101 6.250 1.00 3.64 O ATOM 1881 CB ARG A 120 -8.597 4.792 9.513 1.00 3.39 C ATOM 1882 CG ARG A 120 -7.316 3.951 9.649 1.00 4.53 C ATOM 1883 CD ARG A 120 -6.701 4.147 11.041 1.00 5.75 C ATOM 1884 NE ARG A 120 -5.678 3.131 11.344 1.00 7.00 N ATOM 1885 CZ ARG A 120 -5.884 1.965 11.934 1.00 7.94 C ATOM 1886 NH1 ARG A 120 -7.055 1.582 12.342 1.00 7.97 N ATOM 1887 NH2 ARG A 120 -4.896 1.142 12.126 1.00 9.41 N ATOM 1888 OXT ARG A 120 -8.003 4.297 6.623 1.00 4.42 O ATOM 0 H ARG A 120 -10.332 2.544 7.669 1.00 2.12 H new ATOM 0 HA ARG A 120 -10.461 4.943 8.636 1.00 2.61 H new ATOM 0 HB2 ARG A 120 -8.314 5.821 9.292 1.00 3.39 H new ATOM 0 HB3 ARG A 120 -9.108 4.802 10.476 1.00 3.39 H new ATOM 0 HG2 ARG A 120 -7.545 2.897 9.489 1.00 4.53 H new ATOM 0 HG3 ARG A 120 -6.598 4.241 8.882 1.00 4.53 H new ATOM 0 HD2 ARG A 120 -6.255 5.140 11.103 1.00 5.75 H new ATOM 0 HD3 ARG A 120 -7.488 4.104 11.794 1.00 5.75 H new ATOM 0 HE ARG A 120 -4.719 3.347 11.073 1.00 7.00 H new ATOM 0 HH11 ARG A 120 -7.864 2.189 12.212 1.00 7.97 H new ATOM 0 HH12 ARG A 120 -7.166 0.673 12.792 1.00 7.97 H new ATOM 0 HH21 ARG A 120 -3.956 1.394 11.821 1.00 9.41 H new ATOM 0 HH22 ARG A 120 -5.061 0.244 12.581 1.00 9.41 H new