USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 728 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 68 SER OG : rot -48:sc= 0.442 USER MOD Set 1.2: A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc=-0.00797 X(o=-0.008,f=-0.029) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0.265 X(o=0.27,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.0368 X(o=-0.037,f=0) USER MOD Single : A 30 TYR OH : rot 180:sc= -0.21 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -2.46 K(o=-2.5,f=-9.7!) USER MOD Single : A 37 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00811) USER MOD Single : A 42 CYS SG : rot 101:sc= 0.312 USER MOD Single : A 43 MET CE :methyl 177:sc= -0.0253 (180deg=-0.0349) USER MOD Single : A 44 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0969) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 18:sc= 0.92 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0133) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0.89 USER MOD Single : A 62 GLN : amide:sc= 0.0455 X(o=0.046,f=-0.43) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot -138:sc= 1.26 USER MOD Single : A 77 SER OG : rot 180:sc= -0.123 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.437 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= 0.981 K(o=0.98,f=0) USER MOD ----------------------------------------------------------------- ATOM 27 N GLU A 3 -7.363 -6.267 -16.015 1.00 0.00 N ATOM 28 CA GLU A 3 -5.939 -6.004 -16.142 1.00 0.00 C ATOM 29 C GLU A 3 -5.444 -5.294 -14.877 1.00 0.00 C ATOM 30 O GLU A 3 -6.193 -5.089 -13.921 1.00 0.00 O ATOM 31 CB GLU A 3 -5.635 -5.270 -17.465 1.00 0.00 C ATOM 32 CG GLU A 3 -4.217 -5.502 -18.016 1.00 0.00 C ATOM 33 CD GLU A 3 -4.148 -5.210 -19.512 1.00 0.00 C ATOM 34 OE1 GLU A 3 -4.605 -6.084 -20.280 1.00 0.00 O ATOM 35 OE2 GLU A 3 -3.639 -4.122 -19.860 1.00 0.00 O ATOM 0 HA GLU A 3 -5.375 -6.934 -16.210 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -6.359 -5.587 -18.216 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -5.781 -4.201 -17.314 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -3.510 -4.864 -17.486 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -3.917 -6.533 -17.831 1.00 0.00 H new ATOM 42 N TRP A 4 -4.153 -4.979 -14.848 1.00 0.00 N ATOM 43 CA TRP A 4 -3.542 -4.239 -13.760 1.00 0.00 C ATOM 44 C TRP A 4 -3.684 -2.739 -14.002 1.00 0.00 C ATOM 45 O TRP A 4 -3.886 -2.299 -15.133 1.00 0.00 O ATOM 46 CB TRP A 4 -2.079 -4.652 -13.585 1.00 0.00 C ATOM 47 CG TRP A 4 -1.827 -6.091 -13.249 1.00 0.00 C ATOM 48 CD1 TRP A 4 -2.047 -7.161 -14.046 1.00 0.00 C ATOM 49 CD2 TRP A 4 -1.287 -6.629 -12.010 1.00 0.00 C ATOM 50 NE1 TRP A 4 -1.693 -8.317 -13.380 1.00 0.00 N ATOM 51 CE2 TRP A 4 -1.211 -8.047 -12.116 1.00 0.00 C ATOM 52 CE3 TRP A 4 -0.851 -6.049 -10.804 1.00 0.00 C ATOM 53 CZ2 TRP A 4 -0.721 -8.851 -11.075 1.00 0.00 C ATOM 54 CZ3 TRP A 4 -0.369 -6.841 -9.749 1.00 0.00 C ATOM 55 CH2 TRP A 4 -0.298 -8.240 -9.882 1.00 0.00 C ATOM 0 H TRP A 4 -3.499 -5.235 -15.588 1.00 0.00 H new ATOM 0 HA TRP A 4 -4.059 -4.477 -12.830 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -1.546 -4.418 -14.506 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -1.642 -4.036 -12.799 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -2.440 -7.118 -15.051 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -1.777 -9.254 -13.773 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -0.888 -4.976 -10.688 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -0.670 -9.924 -11.189 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -0.051 -6.373 -8.829 1.00 0.00 H new ATOM 0 HH2 TRP A 4 0.080 -8.843 -9.070 1.00 0.00 H new ATOM 66 N GLU A 5 -3.581 -1.963 -12.924 1.00 0.00 N ATOM 67 CA GLU A 5 -3.718 -0.524 -12.901 1.00 0.00 C ATOM 68 C GLU A 5 -2.690 0.071 -11.946 1.00 0.00 C ATOM 69 O GLU A 5 -2.088 -0.622 -11.123 1.00 0.00 O ATOM 70 CB GLU A 5 -5.129 -0.149 -12.436 1.00 0.00 C ATOM 71 CG GLU A 5 -6.174 -0.258 -13.556 1.00 0.00 C ATOM 72 CD GLU A 5 -5.958 0.766 -14.671 1.00 0.00 C ATOM 73 OE1 GLU A 5 -5.226 1.751 -14.417 1.00 0.00 O ATOM 74 OE2 GLU A 5 -6.544 0.557 -15.754 1.00 0.00 O ATOM 0 H GLU A 5 -3.390 -2.350 -12.000 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.552 -0.129 -13.903 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -5.419 -0.799 -11.610 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -5.121 0.871 -12.051 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -6.142 -1.262 -13.980 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -7.169 -0.122 -13.132 1.00 0.00 H new ATOM 81 N ILE A 6 -2.524 1.385 -12.075 1.00 0.00 N ATOM 82 CA ILE A 6 -1.543 2.166 -11.352 1.00 0.00 C ATOM 83 C ILE A 6 -2.038 2.376 -9.916 1.00 0.00 C ATOM 84 O ILE A 6 -3.214 2.655 -9.681 1.00 0.00 O ATOM 85 CB ILE A 6 -1.260 3.492 -12.089 1.00 0.00 C ATOM 86 CG1 ILE A 6 -0.969 3.250 -13.587 1.00 0.00 C ATOM 87 CG2 ILE A 6 -0.070 4.220 -11.443 1.00 0.00 C ATOM 88 CD1 ILE A 6 -0.726 4.539 -14.376 1.00 0.00 C ATOM 0 H ILE A 6 -3.092 1.948 -12.709 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.592 1.635 -11.305 1.00 0.00 H new ATOM 0 HB ILE A 6 -2.152 4.113 -12.007 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -0.095 2.606 -13.680 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -1.808 2.714 -14.030 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.117 5.153 -11.974 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.299 4.436 -10.399 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.816 3.588 -11.497 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.528 4.295 -15.420 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.608 5.176 -14.313 1.00 0.00 H new ATOM 0 HD13 ILE A 6 0.132 5.066 -13.958 1.00 0.00 H new ATOM 100 N ILE A 7 -1.130 2.220 -8.958 1.00 0.00 N ATOM 101 CA ILE A 7 -1.345 2.514 -7.547 1.00 0.00 C ATOM 102 C ILE A 7 -1.512 4.030 -7.344 1.00 0.00 C ATOM 103 O ILE A 7 -0.778 4.809 -7.948 1.00 0.00 O ATOM 104 CB ILE A 7 -0.151 1.930 -6.768 1.00 0.00 C ATOM 105 CG1 ILE A 7 -0.278 2.019 -5.239 1.00 0.00 C ATOM 106 CG2 ILE A 7 1.158 2.602 -7.184 1.00 0.00 C ATOM 107 CD1 ILE A 7 -0.241 0.631 -4.596 1.00 0.00 C ATOM 0 H ILE A 7 -0.190 1.873 -9.151 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.262 2.058 -7.174 1.00 0.00 H new ATOM 0 HB ILE A 7 -0.149 0.872 -7.030 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.532 2.629 -4.840 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.211 2.518 -4.978 1.00 0.00 H new ATOM 0 HG21 ILE A 7 1.984 2.171 -6.619 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.326 2.444 -8.249 1.00 0.00 H new ATOM 0 HG23 ILE A 7 1.099 3.671 -6.981 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.333 0.729 -3.514 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -1.067 0.031 -4.978 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.703 0.143 -4.837 1.00 0.00 H new ATOM 119 N ASP A 8 -2.468 4.461 -6.509 1.00 0.00 N ATOM 120 CA ASP A 8 -2.712 5.876 -6.241 1.00 0.00 C ATOM 121 C ASP A 8 -2.004 6.313 -4.949 1.00 0.00 C ATOM 122 O ASP A 8 -1.538 5.491 -4.157 1.00 0.00 O ATOM 123 CB ASP A 8 -4.227 6.142 -6.178 1.00 0.00 C ATOM 124 CG ASP A 8 -4.645 7.553 -6.591 1.00 0.00 C ATOM 125 OD1 ASP A 8 -3.791 8.466 -6.529 1.00 0.00 O ATOM 126 OD2 ASP A 8 -5.829 7.696 -6.963 1.00 0.00 O ATOM 0 H ASP A 8 -3.092 3.833 -6.002 1.00 0.00 H new ATOM 0 HA ASP A 8 -2.297 6.472 -7.054 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -4.735 5.424 -6.822 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -4.572 5.958 -5.161 1.00 0.00 H new ATOM 131 N ILE A 9 -1.940 7.627 -4.738 1.00 0.00 N ATOM 132 CA ILE A 9 -1.318 8.276 -3.595 1.00 0.00 C ATOM 133 C ILE A 9 -2.355 8.446 -2.475 1.00 0.00 C ATOM 134 O ILE A 9 -3.537 8.160 -2.655 1.00 0.00 O ATOM 135 CB ILE A 9 -0.691 9.606 -4.075 1.00 0.00 C ATOM 136 CG1 ILE A 9 0.258 9.382 -5.272 1.00 0.00 C ATOM 137 CG2 ILE A 9 0.066 10.375 -2.980 1.00 0.00 C ATOM 138 CD1 ILE A 9 1.398 8.402 -4.968 1.00 0.00 C ATOM 0 H ILE A 9 -2.342 8.297 -5.394 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.515 7.672 -3.172 1.00 0.00 H new ATOM 0 HB ILE A 9 -1.542 10.218 -4.375 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -0.318 9.007 -6.118 1.00 0.00 H new ATOM 0 HG13 ILE A 9 0.682 10.339 -5.574 1.00 0.00 H new ATOM 0 HG21 ILE A 9 0.475 11.295 -3.398 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -0.618 10.618 -2.167 1.00 0.00 H new ATOM 0 HG23 ILE A 9 0.879 9.758 -2.597 1.00 0.00 H new ATOM 0 HD11 ILE A 9 2.027 8.290 -5.851 1.00 0.00 H new ATOM 0 HD12 ILE A 9 1.997 8.786 -4.142 1.00 0.00 H new ATOM 0 HD13 ILE A 9 0.981 7.433 -4.694 1.00 0.00 H new ATOM 150 N GLY A 10 -1.910 8.899 -1.300 1.00 0.00 N ATOM 151 CA GLY A 10 -2.787 9.259 -0.198 1.00 0.00 C ATOM 152 C GLY A 10 -3.441 8.016 0.408 1.00 0.00 C ATOM 153 O GLY A 10 -2.711 7.107 0.817 1.00 0.00 O ATOM 0 H GLY A 10 -0.920 9.025 -1.091 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -2.218 9.785 0.568 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -3.557 9.945 -0.550 1.00 0.00 H new ATOM 157 N PRO A 11 -4.782 7.942 0.490 1.00 0.00 N ATOM 158 CA PRO A 11 -5.492 6.849 1.142 1.00 0.00 C ATOM 159 C PRO A 11 -5.494 5.609 0.241 1.00 0.00 C ATOM 160 O PRO A 11 -6.542 5.129 -0.185 1.00 0.00 O ATOM 161 CB PRO A 11 -6.899 7.399 1.404 1.00 0.00 C ATOM 162 CG PRO A 11 -7.116 8.333 0.215 1.00 0.00 C ATOM 163 CD PRO A 11 -5.728 8.936 0.000 1.00 0.00 C ATOM 0 HA PRO A 11 -5.027 6.526 2.073 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -7.645 6.605 1.438 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -6.956 7.931 2.354 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -7.463 7.793 -0.666 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -7.860 9.099 0.433 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -5.555 9.154 -1.054 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -5.622 9.876 0.541 1.00 0.00 H new ATOM 171 N PHE A 12 -4.299 5.105 -0.071 1.00 0.00 N ATOM 172 CA PHE A 12 -4.059 4.043 -1.022 1.00 0.00 C ATOM 173 C PHE A 12 -2.645 3.517 -0.732 1.00 0.00 C ATOM 174 O PHE A 12 -2.495 2.671 0.147 1.00 0.00 O ATOM 175 CB PHE A 12 -4.312 4.593 -2.435 1.00 0.00 C ATOM 176 CG PHE A 12 -4.626 3.588 -3.528 1.00 0.00 C ATOM 177 CD1 PHE A 12 -3.710 2.575 -3.865 1.00 0.00 C ATOM 178 CD2 PHE A 12 -5.770 3.779 -4.330 1.00 0.00 C ATOM 179 CE1 PHE A 12 -3.885 1.837 -5.048 1.00 0.00 C ATOM 180 CE2 PHE A 12 -5.914 3.078 -5.536 1.00 0.00 C ATOM 181 CZ PHE A 12 -4.944 2.141 -5.920 1.00 0.00 C ATOM 0 H PHE A 12 -3.439 5.449 0.357 1.00 0.00 H new ATOM 0 HA PHE A 12 -4.731 3.189 -0.939 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -5.140 5.299 -2.379 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -3.431 5.158 -2.740 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -2.873 2.365 -3.215 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -6.539 4.468 -4.014 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.204 1.034 -5.288 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -6.771 3.260 -6.168 1.00 0.00 H new ATOM 0 HZ PHE A 12 -5.011 1.655 -6.882 1.00 0.00 H new ATOM 191 N THR A 13 -1.588 4.051 -1.362 1.00 0.00 N ATOM 192 CA THR A 13 -0.224 3.599 -1.088 1.00 0.00 C ATOM 193 C THR A 13 0.101 3.779 0.401 1.00 0.00 C ATOM 194 O THR A 13 0.547 2.848 1.073 1.00 0.00 O ATOM 195 CB THR A 13 0.775 4.307 -2.030 1.00 0.00 C ATOM 196 OG1 THR A 13 2.034 3.667 -2.021 1.00 0.00 O ATOM 197 CG2 THR A 13 0.999 5.786 -1.700 1.00 0.00 C ATOM 0 H THR A 13 -1.655 4.792 -2.060 1.00 0.00 H new ATOM 0 HA THR A 13 -0.135 2.533 -1.297 1.00 0.00 H new ATOM 0 HB THR A 13 0.312 4.243 -3.015 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.644 4.137 -2.628 1.00 0.00 H new ATOM 0 HG21 THR A 13 1.712 6.212 -2.405 1.00 0.00 H new ATOM 0 HG22 THR A 13 0.053 6.322 -1.772 1.00 0.00 H new ATOM 0 HG23 THR A 13 1.391 5.877 -0.687 1.00 0.00 H new ATOM 205 N GLN A 14 -0.188 4.973 0.931 1.00 0.00 N ATOM 206 CA GLN A 14 0.106 5.292 2.318 1.00 0.00 C ATOM 207 C GLN A 14 -0.774 4.453 3.237 1.00 0.00 C ATOM 208 O GLN A 14 -0.296 3.939 4.241 1.00 0.00 O ATOM 209 CB GLN A 14 -0.062 6.797 2.588 1.00 0.00 C ATOM 210 CG GLN A 14 1.250 7.442 3.049 1.00 0.00 C ATOM 211 CD GLN A 14 2.239 7.573 1.895 1.00 0.00 C ATOM 212 OE1 GLN A 14 3.073 6.703 1.681 1.00 0.00 O ATOM 213 NE2 GLN A 14 2.146 8.660 1.134 1.00 0.00 N ATOM 0 H GLN A 14 -0.627 5.733 0.411 1.00 0.00 H new ATOM 0 HA GLN A 14 1.148 5.048 2.524 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -0.412 7.292 1.682 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -0.828 6.947 3.349 1.00 0.00 H new ATOM 0 HG2 GLN A 14 1.046 8.427 3.469 1.00 0.00 H new ATOM 0 HG3 GLN A 14 1.693 6.842 3.844 1.00 0.00 H new ATOM 0 HE21 GLN A 14 1.440 9.367 1.339 1.00 0.00 H new ATOM 0 HE22 GLN A 14 2.781 8.787 0.346 1.00 0.00 H new ATOM 222 N ASN A 15 -2.055 4.305 2.885 1.00 0.00 N ATOM 223 CA ASN A 15 -2.991 3.484 3.645 1.00 0.00 C ATOM 224 C ASN A 15 -2.435 2.079 3.851 1.00 0.00 C ATOM 225 O ASN A 15 -2.365 1.589 4.974 1.00 0.00 O ATOM 226 CB ASN A 15 -4.335 3.401 2.923 1.00 0.00 C ATOM 227 CG ASN A 15 -5.380 2.725 3.802 1.00 0.00 C ATOM 228 OD1 ASN A 15 -5.588 1.521 3.717 1.00 0.00 O ATOM 229 ND2 ASN A 15 -6.044 3.495 4.661 1.00 0.00 N ATOM 0 H ASN A 15 -2.468 4.752 2.066 1.00 0.00 H new ATOM 0 HA ASN A 15 -3.135 3.952 4.619 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -4.671 4.403 2.655 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.220 2.844 1.993 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -6.750 3.085 5.273 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -5.847 4.495 4.707 1.00 0.00 H new ATOM 236 N LEU A 16 -2.027 1.443 2.754 1.00 0.00 N ATOM 237 CA LEU A 16 -1.476 0.096 2.770 1.00 0.00 C ATOM 238 C LEU A 16 -0.167 0.064 3.559 1.00 0.00 C ATOM 239 O LEU A 16 0.017 -0.817 4.398 1.00 0.00 O ATOM 240 CB LEU A 16 -1.282 -0.382 1.329 1.00 0.00 C ATOM 241 CG LEU A 16 -2.609 -0.465 0.554 1.00 0.00 C ATOM 242 CD1 LEU A 16 -2.312 -0.458 -0.946 1.00 0.00 C ATOM 243 CD2 LEU A 16 -3.397 -1.721 0.930 1.00 0.00 C ATOM 0 H LEU A 16 -2.072 1.855 1.822 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.168 -0.582 3.270 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.604 0.297 0.812 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.806 -1.363 1.335 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.221 0.398 0.816 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.247 -0.517 -1.502 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.790 0.462 -1.209 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.686 -1.315 -1.197 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.329 -1.749 0.365 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.805 -2.606 0.697 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.620 -1.705 1.997 1.00 0.00 H new ATOM 255 N ALA A 17 0.736 1.015 3.307 1.00 0.00 N ATOM 256 CA ALA A 17 1.989 1.109 4.047 1.00 0.00 C ATOM 257 C ALA A 17 1.723 1.151 5.556 1.00 0.00 C ATOM 258 O ALA A 17 2.293 0.369 6.318 1.00 0.00 O ATOM 259 CB ALA A 17 2.764 2.340 3.578 1.00 0.00 C ATOM 0 H ALA A 17 0.618 1.732 2.592 1.00 0.00 H new ATOM 0 HA ALA A 17 2.594 0.224 3.851 1.00 0.00 H new ATOM 0 HB1 ALA A 17 3.701 2.412 4.130 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.976 2.252 2.513 1.00 0.00 H new ATOM 0 HB3 ALA A 17 2.168 3.235 3.757 1.00 0.00 H new ATOM 265 N LYS A 18 0.834 2.053 5.981 1.00 0.00 N ATOM 266 CA LYS A 18 0.411 2.146 7.369 1.00 0.00 C ATOM 267 C LYS A 18 -0.155 0.814 7.837 1.00 0.00 C ATOM 268 O LYS A 18 0.290 0.306 8.860 1.00 0.00 O ATOM 269 CB LYS A 18 -0.619 3.267 7.592 1.00 0.00 C ATOM 270 CG LYS A 18 -0.040 4.449 8.378 1.00 0.00 C ATOM 271 CD LYS A 18 0.371 4.050 9.807 1.00 0.00 C ATOM 272 CE LYS A 18 0.664 5.313 10.626 1.00 0.00 C ATOM 273 NZ LYS A 18 1.336 4.991 11.897 1.00 0.00 N ATOM 0 H LYS A 18 0.391 2.737 5.367 1.00 0.00 H new ATOM 0 HA LYS A 18 1.293 2.394 7.959 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.982 3.620 6.627 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.479 2.865 8.128 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.827 4.845 7.849 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.778 5.249 8.424 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.425 3.474 10.279 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.253 3.410 9.778 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.291 5.988 10.043 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.268 5.840 10.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.519 5.868 12.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.727 4.367 12.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.237 4.511 11.701 1.00 0.00 H new ATOM 287 N PHE A 19 -1.130 0.268 7.104 1.00 0.00 N ATOM 288 CA PHE A 19 -1.775 -0.998 7.427 1.00 0.00 C ATOM 289 C PHE A 19 -0.715 -2.040 7.758 1.00 0.00 C ATOM 290 O PHE A 19 -0.788 -2.669 8.805 1.00 0.00 O ATOM 291 CB PHE A 19 -2.685 -1.458 6.278 1.00 0.00 C ATOM 292 CG PHE A 19 -3.604 -2.628 6.596 1.00 0.00 C ATOM 293 CD1 PHE A 19 -4.558 -2.518 7.627 1.00 0.00 C ATOM 294 CD2 PHE A 19 -3.576 -3.791 5.799 1.00 0.00 C ATOM 295 CE1 PHE A 19 -5.463 -3.567 7.870 1.00 0.00 C ATOM 296 CE2 PHE A 19 -4.485 -4.836 6.041 1.00 0.00 C ATOM 297 CZ PHE A 19 -5.436 -4.721 7.069 1.00 0.00 C ATOM 0 H PHE A 19 -1.495 0.704 6.257 1.00 0.00 H new ATOM 0 HA PHE A 19 -2.411 -0.864 8.302 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.297 -0.613 5.963 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.058 -1.732 5.429 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.595 -1.625 8.233 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.854 -3.879 5.000 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -6.180 -3.485 8.674 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -4.452 -5.729 5.435 1.00 0.00 H new ATOM 0 HZ PHE A 19 -6.144 -5.518 7.243 1.00 0.00 H new ATOM 307 N ALA A 20 0.311 -2.174 6.913 1.00 0.00 N ATOM 308 CA ALA A 20 1.415 -3.084 7.196 1.00 0.00 C ATOM 309 C ALA A 20 1.938 -2.926 8.628 1.00 0.00 C ATOM 310 O ALA A 20 1.932 -3.881 9.406 1.00 0.00 O ATOM 311 CB ALA A 20 2.562 -2.894 6.204 1.00 0.00 C ATOM 0 H ALA A 20 0.397 -1.665 6.033 1.00 0.00 H new ATOM 0 HA ALA A 20 1.018 -4.093 7.088 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.368 -3.587 6.443 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.204 -3.088 5.193 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.932 -1.871 6.268 1.00 0.00 H new ATOM 317 N VAL A 21 2.406 -1.720 8.956 1.00 0.00 N ATOM 318 CA VAL A 21 3.083 -1.440 10.212 1.00 0.00 C ATOM 319 C VAL A 21 2.078 -1.503 11.367 1.00 0.00 C ATOM 320 O VAL A 21 2.246 -2.300 12.286 1.00 0.00 O ATOM 321 CB VAL A 21 3.775 -0.063 10.132 1.00 0.00 C ATOM 322 CG1 VAL A 21 4.489 0.271 11.447 1.00 0.00 C ATOM 323 CG2 VAL A 21 4.814 0.032 9.003 1.00 0.00 C ATOM 0 H VAL A 21 2.322 -0.906 8.347 1.00 0.00 H new ATOM 0 HA VAL A 21 3.851 -2.191 10.397 1.00 0.00 H new ATOM 0 HB VAL A 21 2.973 0.646 9.929 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.968 1.246 11.363 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.763 0.292 12.260 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.244 -0.487 11.654 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.262 1.026 9.003 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.591 -0.716 9.160 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.327 -0.146 8.044 1.00 0.00 H new ATOM 333 N ASP A 22 1.043 -0.656 11.312 1.00 0.00 N ATOM 334 CA ASP A 22 -0.065 -0.571 12.263 1.00 0.00 C ATOM 335 C ASP A 22 -0.589 -1.958 12.597 1.00 0.00 C ATOM 336 O ASP A 22 -0.657 -2.347 13.763 1.00 0.00 O ATOM 337 CB ASP A 22 -1.190 0.276 11.652 1.00 0.00 C ATOM 338 CG ASP A 22 -2.425 0.288 12.547 1.00 0.00 C ATOM 339 OD1 ASP A 22 -2.345 0.935 13.613 1.00 0.00 O ATOM 340 OD2 ASP A 22 -3.421 -0.352 12.149 1.00 0.00 O ATOM 0 H ASP A 22 0.954 0.026 10.559 1.00 0.00 H new ATOM 0 HA ASP A 22 0.290 -0.106 13.183 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.838 1.297 11.501 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.453 -0.119 10.671 1.00 0.00 H new ATOM 345 N GLU A 23 -0.990 -2.694 11.563 1.00 0.00 N ATOM 346 CA GLU A 23 -1.702 -3.935 11.757 1.00 0.00 C ATOM 347 C GLU A 23 -0.750 -4.965 12.336 1.00 0.00 C ATOM 348 O GLU A 23 -1.090 -5.646 13.301 1.00 0.00 O ATOM 349 CB GLU A 23 -2.311 -4.417 10.441 1.00 0.00 C ATOM 350 CG GLU A 23 -3.467 -5.350 10.775 1.00 0.00 C ATOM 351 CD GLU A 23 -3.989 -6.143 9.581 1.00 0.00 C ATOM 352 OE1 GLU A 23 -3.215 -6.318 8.614 1.00 0.00 O ATOM 353 OE2 GLU A 23 -5.155 -6.586 9.668 1.00 0.00 O ATOM 0 H GLU A 23 -0.830 -2.445 10.587 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.524 -3.782 12.456 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.662 -3.571 9.850 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.563 -4.936 9.842 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.146 -6.047 11.549 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.285 -4.763 11.194 1.00 0.00 H new ATOM 360 N GLU A 24 0.456 -5.058 11.765 1.00 0.00 N ATOM 361 CA GLU A 24 1.480 -5.896 12.357 1.00 0.00 C ATOM 362 C GLU A 24 1.594 -5.576 13.848 1.00 0.00 C ATOM 363 O GLU A 24 1.403 -6.466 14.666 1.00 0.00 O ATOM 364 CB GLU A 24 2.816 -5.756 11.614 1.00 0.00 C ATOM 365 CG GLU A 24 3.893 -6.601 12.298 1.00 0.00 C ATOM 366 CD GLU A 24 4.548 -5.860 13.463 1.00 0.00 C ATOM 367 OE1 GLU A 24 5.142 -4.792 13.194 1.00 0.00 O ATOM 368 OE2 GLU A 24 4.464 -6.382 14.594 1.00 0.00 O ATOM 0 H GLU A 24 0.734 -4.572 10.913 1.00 0.00 H new ATOM 0 HA GLU A 24 1.196 -6.944 12.258 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.699 -6.073 10.578 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.122 -4.710 11.595 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.450 -7.528 12.661 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.655 -6.876 11.569 1.00 0.00 H new ATOM 375 N ASN A 25 1.884 -4.321 14.200 1.00 0.00 N ATOM 376 CA ASN A 25 2.067 -3.900 15.583 1.00 0.00 C ATOM 377 C ASN A 25 0.876 -4.300 16.451 1.00 0.00 C ATOM 378 O ASN A 25 1.062 -4.755 17.577 1.00 0.00 O ATOM 379 CB ASN A 25 2.301 -2.382 15.646 1.00 0.00 C ATOM 380 CG ASN A 25 3.764 -2.024 15.885 1.00 0.00 C ATOM 381 OD1 ASN A 25 4.081 -1.283 16.810 1.00 0.00 O ATOM 382 ND2 ASN A 25 4.680 -2.536 15.066 1.00 0.00 N ATOM 0 H ASN A 25 1.998 -3.565 13.524 1.00 0.00 H new ATOM 0 HA ASN A 25 2.946 -4.409 15.979 1.00 0.00 H new ATOM 0 HB2 ASN A 25 1.967 -1.928 14.713 1.00 0.00 H new ATOM 0 HB3 ASN A 25 1.692 -1.957 16.444 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.666 -2.314 15.202 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.396 -3.150 14.303 1.00 0.00 H new ATOM 389 N LYS A 26 -0.344 -4.129 15.938 1.00 0.00 N ATOM 390 CA LYS A 26 -1.554 -4.452 16.673 1.00 0.00 C ATOM 391 C LYS A 26 -1.610 -5.939 17.060 1.00 0.00 C ATOM 392 O LYS A 26 -2.150 -6.257 18.118 1.00 0.00 O ATOM 393 CB LYS A 26 -2.768 -3.956 15.870 1.00 0.00 C ATOM 394 CG LYS A 26 -4.118 -4.128 16.582 1.00 0.00 C ATOM 395 CD LYS A 26 -4.803 -5.437 16.172 1.00 0.00 C ATOM 396 CE LYS A 26 -6.177 -5.572 16.836 1.00 0.00 C ATOM 397 NZ LYS A 26 -6.854 -6.809 16.407 1.00 0.00 N ATOM 0 H LYS A 26 -0.514 -3.763 15.001 1.00 0.00 H new ATOM 0 HA LYS A 26 -1.563 -3.931 17.631 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.627 -2.901 15.637 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.802 -4.490 14.920 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -3.966 -4.118 17.661 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.767 -3.285 16.343 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -4.915 -5.469 15.088 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -4.175 -6.283 16.453 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -6.062 -5.574 17.920 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -6.793 -4.710 16.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -7.782 -6.876 16.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -6.983 -6.794 15.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -6.275 -7.631 16.671 1.00 0.00 H new ATOM 411 N ILE A 27 -1.077 -6.848 16.230 1.00 0.00 N ATOM 412 CA ILE A 27 -1.078 -8.284 16.522 1.00 0.00 C ATOM 413 C ILE A 27 0.290 -8.764 17.032 1.00 0.00 C ATOM 414 O ILE A 27 0.390 -9.297 18.134 1.00 0.00 O ATOM 415 CB ILE A 27 -1.565 -9.098 15.305 1.00 0.00 C ATOM 416 CG1 ILE A 27 -3.050 -8.835 14.982 1.00 0.00 C ATOM 417 CG2 ILE A 27 -1.445 -10.597 15.618 1.00 0.00 C ATOM 418 CD1 ILE A 27 -3.272 -7.697 13.989 1.00 0.00 C ATOM 0 H ILE A 27 -0.636 -6.607 15.342 1.00 0.00 H new ATOM 0 HA ILE A 27 -1.787 -8.457 17.331 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.949 -8.797 14.457 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.492 -9.747 14.580 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -3.578 -8.606 15.907 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.788 -11.176 14.761 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.404 -10.842 15.829 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.058 -10.837 16.487 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -4.340 -7.572 13.812 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -2.861 -6.773 14.396 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.773 -7.932 13.049 1.00 0.00 H new ATOM 430 N GLY A 28 1.331 -8.645 16.206 1.00 0.00 N ATOM 431 CA GLY A 28 2.700 -9.031 16.531 1.00 0.00 C ATOM 432 C GLY A 28 3.043 -10.465 16.115 1.00 0.00 C ATOM 433 O GLY A 28 3.935 -11.074 16.697 1.00 0.00 O ATOM 0 H GLY A 28 1.239 -8.265 15.264 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.389 -8.344 16.041 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.854 -8.925 17.605 1.00 0.00 H new ATOM 437 N GLN A 29 2.373 -11.006 15.090 1.00 0.00 N ATOM 438 CA GLN A 29 2.650 -12.360 14.604 1.00 0.00 C ATOM 439 C GLN A 29 4.023 -12.478 13.929 1.00 0.00 C ATOM 440 O GLN A 29 4.636 -13.540 13.998 1.00 0.00 O ATOM 441 CB GLN A 29 1.543 -12.822 13.644 1.00 0.00 C ATOM 442 CG GLN A 29 0.415 -13.548 14.389 1.00 0.00 C ATOM 443 CD GLN A 29 -0.742 -13.913 13.463 1.00 0.00 C ATOM 444 OE1 GLN A 29 -1.123 -15.073 13.360 1.00 0.00 O ATOM 445 NE2 GLN A 29 -1.315 -12.927 12.779 1.00 0.00 N ATOM 0 H GLN A 29 1.633 -10.523 14.581 1.00 0.00 H new ATOM 0 HA GLN A 29 2.668 -13.012 15.478 1.00 0.00 H new ATOM 0 HB2 GLN A 29 1.135 -11.960 13.116 1.00 0.00 H new ATOM 0 HB3 GLN A 29 1.968 -13.485 12.890 1.00 0.00 H new ATOM 0 HG2 GLN A 29 0.810 -14.454 14.850 1.00 0.00 H new ATOM 0 HG3 GLN A 29 0.047 -12.914 15.196 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -0.977 -11.970 12.884 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -2.092 -13.128 12.149 1.00 0.00 H new ATOM 454 N TYR A 30 4.470 -11.431 13.226 1.00 0.00 N ATOM 455 CA TYR A 30 5.654 -11.480 12.368 1.00 0.00 C ATOM 456 C TYR A 30 6.643 -10.357 12.693 1.00 0.00 C ATOM 457 O TYR A 30 7.794 -10.638 13.019 1.00 0.00 O ATOM 458 CB TYR A 30 5.245 -11.517 10.884 1.00 0.00 C ATOM 459 CG TYR A 30 4.122 -10.578 10.474 1.00 0.00 C ATOM 460 CD1 TYR A 30 2.782 -10.972 10.649 1.00 0.00 C ATOM 461 CD2 TYR A 30 4.408 -9.341 9.868 1.00 0.00 C ATOM 462 CE1 TYR A 30 1.739 -10.088 10.325 1.00 0.00 C ATOM 463 CE2 TYR A 30 3.364 -8.485 9.487 1.00 0.00 C ATOM 464 CZ TYR A 30 2.032 -8.837 9.756 1.00 0.00 C ATOM 465 OH TYR A 30 1.029 -7.951 9.510 1.00 0.00 O ATOM 0 H TYR A 30 4.014 -10.519 13.238 1.00 0.00 H new ATOM 0 HA TYR A 30 6.189 -12.407 12.574 1.00 0.00 H new ATOM 0 HB2 TYR A 30 6.123 -11.285 10.281 1.00 0.00 H new ATOM 0 HB3 TYR A 30 4.948 -12.536 10.636 1.00 0.00 H new ATOM 0 HD1 TYR A 30 2.555 -11.956 11.033 1.00 0.00 H new ATOM 0 HD2 TYR A 30 5.434 -9.050 9.696 1.00 0.00 H new ATOM 0 HE1 TYR A 30 0.713 -10.370 10.513 1.00 0.00 H new ATOM 0 HE2 TYR A 30 3.585 -7.554 8.986 1.00 0.00 H new ATOM 0 HH TYR A 30 1.403 -7.135 9.116 1.00 0.00 H new ATOM 475 N GLY A 31 6.210 -9.096 12.601 1.00 0.00 N ATOM 476 CA GLY A 31 7.084 -7.939 12.788 1.00 0.00 C ATOM 477 C GLY A 31 7.312 -7.246 11.449 1.00 0.00 C ATOM 478 O GLY A 31 7.778 -7.893 10.513 1.00 0.00 O ATOM 0 H GLY A 31 5.242 -8.851 12.394 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.636 -7.243 13.497 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.037 -8.256 13.212 1.00 0.00 H new ATOM 482 N ARG A 32 7.007 -5.943 11.321 1.00 0.00 N ATOM 483 CA ARG A 32 7.253 -5.195 10.087 1.00 0.00 C ATOM 484 C ARG A 32 8.749 -4.860 9.946 1.00 0.00 C ATOM 485 O ARG A 32 9.130 -3.720 9.683 1.00 0.00 O ATOM 486 CB ARG A 32 6.347 -3.950 10.040 1.00 0.00 C ATOM 487 CG ARG A 32 5.903 -3.531 8.628 1.00 0.00 C ATOM 488 CD ARG A 32 7.037 -3.177 7.653 1.00 0.00 C ATOM 489 NE ARG A 32 6.550 -2.449 6.469 1.00 0.00 N ATOM 490 CZ ARG A 32 5.778 -2.931 5.487 1.00 0.00 C ATOM 491 NH1 ARG A 32 5.566 -4.245 5.376 1.00 0.00 N ATOM 492 NH2 ARG A 32 5.242 -2.083 4.603 1.00 0.00 N ATOM 0 H ARG A 32 6.587 -5.387 12.066 1.00 0.00 H new ATOM 0 HA ARG A 32 6.995 -5.810 9.225 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.460 -4.140 10.644 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.874 -3.116 10.503 1.00 0.00 H new ATOM 0 HG2 ARG A 32 5.316 -4.341 8.196 1.00 0.00 H new ATOM 0 HG3 ARG A 32 5.241 -2.669 8.715 1.00 0.00 H new ATOM 0 HD2 ARG A 32 7.781 -2.570 8.169 1.00 0.00 H new ATOM 0 HD3 ARG A 32 7.537 -4.091 7.334 1.00 0.00 H new ATOM 0 HE ARG A 32 6.831 -1.472 6.388 1.00 0.00 H new ATOM 0 HH11 ARG A 32 5.993 -4.889 6.042 1.00 0.00 H new ATOM 0 HH12 ARG A 32 4.977 -4.605 4.625 1.00 0.00 H new ATOM 0 HH21 ARG A 32 5.423 -1.082 4.682 1.00 0.00 H new ATOM 0 HH22 ARG A 32 4.652 -2.437 3.850 1.00 0.00 H new ATOM 506 N LEU A 33 9.604 -5.873 10.106 1.00 0.00 N ATOM 507 CA LEU A 33 11.052 -5.740 10.180 1.00 0.00 C ATOM 508 C LEU A 33 11.456 -4.582 11.109 1.00 0.00 C ATOM 509 O LEU A 33 10.724 -4.256 12.042 1.00 0.00 O ATOM 510 CB LEU A 33 11.613 -5.634 8.747 1.00 0.00 C ATOM 511 CG LEU A 33 12.288 -6.907 8.210 1.00 0.00 C ATOM 512 CD1 LEU A 33 13.479 -7.365 9.063 1.00 0.00 C ATOM 513 CD2 LEU A 33 11.278 -8.028 7.976 1.00 0.00 C ATOM 0 H LEU A 33 9.291 -6.840 10.190 1.00 0.00 H new ATOM 0 HA LEU A 33 11.498 -6.624 10.635 1.00 0.00 H new ATOM 0 HB2 LEU A 33 10.799 -5.363 8.075 1.00 0.00 H new ATOM 0 HB3 LEU A 33 12.336 -4.819 8.717 1.00 0.00 H new ATOM 0 HG LEU A 33 12.707 -6.643 7.239 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.911 -8.268 8.630 1.00 0.00 H new ATOM 0 HD12 LEU A 33 14.233 -6.578 9.088 1.00 0.00 H new ATOM 0 HD13 LEU A 33 13.140 -7.575 10.078 1.00 0.00 H new ATOM 0 HD21 LEU A 33 11.794 -8.910 7.597 1.00 0.00 H new ATOM 0 HD22 LEU A 33 10.783 -8.274 8.915 1.00 0.00 H new ATOM 0 HD23 LEU A 33 10.535 -7.702 7.248 1.00 0.00 H new ATOM 525 N THR A 34 12.614 -3.960 10.872 1.00 0.00 N ATOM 526 CA THR A 34 12.985 -2.723 11.539 1.00 0.00 C ATOM 527 C THR A 34 12.679 -1.580 10.571 1.00 0.00 C ATOM 528 O THR A 34 13.501 -1.315 9.699 1.00 0.00 O ATOM 529 CB THR A 34 14.466 -2.792 11.922 1.00 0.00 C ATOM 530 OG1 THR A 34 14.691 -3.939 12.718 1.00 0.00 O ATOM 531 CG2 THR A 34 14.931 -1.565 12.708 1.00 0.00 C ATOM 0 H THR A 34 13.314 -4.303 10.214 1.00 0.00 H new ATOM 0 HA THR A 34 12.425 -2.561 12.460 1.00 0.00 H new ATOM 0 HB THR A 34 15.033 -2.833 10.992 1.00 0.00 H new ATOM 0 HG1 THR A 34 15.639 -3.986 12.963 1.00 0.00 H new ATOM 0 HG21 THR A 34 15.988 -1.669 12.952 1.00 0.00 H new ATOM 0 HG22 THR A 34 14.784 -0.669 12.105 1.00 0.00 H new ATOM 0 HG23 THR A 34 14.352 -1.482 13.628 1.00 0.00 H new ATOM 539 N PHE A 35 11.496 -0.959 10.712 1.00 0.00 N ATOM 540 CA PHE A 35 11.039 0.260 10.032 1.00 0.00 C ATOM 541 C PHE A 35 11.891 0.661 8.820 1.00 0.00 C ATOM 542 O PHE A 35 12.769 1.515 8.929 1.00 0.00 O ATOM 543 CB PHE A 35 10.941 1.411 11.049 1.00 0.00 C ATOM 544 CG PHE A 35 9.570 1.584 11.674 1.00 0.00 C ATOM 545 CD1 PHE A 35 9.228 0.912 12.863 1.00 0.00 C ATOM 546 CD2 PHE A 35 8.657 2.486 11.094 1.00 0.00 C ATOM 547 CE1 PHE A 35 7.993 1.169 13.485 1.00 0.00 C ATOM 548 CE2 PHE A 35 7.431 2.753 11.725 1.00 0.00 C ATOM 549 CZ PHE A 35 7.104 2.104 12.928 1.00 0.00 C ATOM 0 H PHE A 35 10.786 -1.322 11.348 1.00 0.00 H new ATOM 0 HA PHE A 35 10.053 0.040 9.622 1.00 0.00 H new ATOM 0 HB2 PHE A 35 11.669 1.241 11.842 1.00 0.00 H new ATOM 0 HB3 PHE A 35 11.221 2.341 10.554 1.00 0.00 H new ATOM 0 HD1 PHE A 35 9.914 0.199 13.297 1.00 0.00 H new ATOM 0 HD2 PHE A 35 8.900 2.974 10.162 1.00 0.00 H new ATOM 0 HE1 PHE A 35 7.727 0.647 14.392 1.00 0.00 H new ATOM 0 HE2 PHE A 35 6.740 3.457 11.286 1.00 0.00 H new ATOM 0 HZ PHE A 35 6.170 2.324 13.424 1.00 0.00 H new ATOM 559 N ASN A 36 11.628 0.035 7.670 1.00 0.00 N ATOM 560 CA ASN A 36 12.354 0.238 6.441 1.00 0.00 C ATOM 561 C ASN A 36 11.604 1.274 5.592 1.00 0.00 C ATOM 562 O ASN A 36 11.322 2.369 6.071 1.00 0.00 O ATOM 563 CB ASN A 36 12.519 -1.140 5.788 1.00 0.00 C ATOM 564 CG ASN A 36 11.175 -1.806 5.481 1.00 0.00 C ATOM 565 OD1 ASN A 36 10.702 -1.721 4.359 1.00 0.00 O ATOM 566 ND2 ASN A 36 10.531 -2.450 6.455 1.00 0.00 N ATOM 0 H ASN A 36 10.876 -0.648 7.579 1.00 0.00 H new ATOM 0 HA ASN A 36 13.353 0.650 6.584 1.00 0.00 H new ATOM 0 HB2 ASN A 36 13.089 -1.035 4.865 1.00 0.00 H new ATOM 0 HB3 ASN A 36 13.098 -1.785 6.449 1.00 0.00 H new ATOM 0 HD21 ASN A 36 9.626 -2.883 6.269 1.00 0.00 H new ATOM 0 HD22 ASN A 36 10.943 -2.510 7.386 1.00 0.00 H new ATOM 573 N LYS A 37 11.266 0.941 4.345 1.00 0.00 N ATOM 574 CA LYS A 37 10.640 1.818 3.374 1.00 0.00 C ATOM 575 C LYS A 37 10.155 0.940 2.214 1.00 0.00 C ATOM 576 O LYS A 37 10.708 -0.133 1.974 1.00 0.00 O ATOM 577 CB LYS A 37 11.663 2.875 2.927 1.00 0.00 C ATOM 578 CG LYS A 37 11.050 4.000 2.090 1.00 0.00 C ATOM 579 CD LYS A 37 12.076 5.136 1.968 1.00 0.00 C ATOM 580 CE LYS A 37 11.653 6.202 0.951 1.00 0.00 C ATOM 581 NZ LYS A 37 10.390 6.860 1.329 1.00 0.00 N ATOM 0 H LYS A 37 11.433 0.005 3.974 1.00 0.00 H new ATOM 0 HA LYS A 37 9.786 2.354 3.787 1.00 0.00 H new ATOM 0 HB2 LYS A 37 12.138 3.306 3.809 1.00 0.00 H new ATOM 0 HB3 LYS A 37 12.448 2.388 2.348 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.776 3.630 1.102 1.00 0.00 H new ATOM 0 HG3 LYS A 37 10.136 4.365 2.558 1.00 0.00 H new ATOM 0 HD2 LYS A 37 12.214 5.603 2.943 1.00 0.00 H new ATOM 0 HD3 LYS A 37 13.040 4.721 1.674 1.00 0.00 H new ATOM 0 HE2 LYS A 37 12.440 6.952 0.864 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.542 5.742 -0.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.169 7.608 0.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 9.622 6.159 1.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 10.487 7.279 2.276 1.00 0.00 H new ATOM 595 N VAL A 38 9.108 1.372 1.510 1.00 0.00 N ATOM 596 CA VAL A 38 8.528 0.650 0.385 1.00 0.00 C ATOM 597 C VAL A 38 8.973 1.327 -0.909 1.00 0.00 C ATOM 598 O VAL A 38 9.065 2.554 -0.954 1.00 0.00 O ATOM 599 CB VAL A 38 7.000 0.557 0.569 1.00 0.00 C ATOM 600 CG1 VAL A 38 6.323 1.932 0.673 1.00 0.00 C ATOM 601 CG2 VAL A 38 6.312 -0.255 -0.532 1.00 0.00 C ATOM 0 H VAL A 38 8.633 2.251 1.713 1.00 0.00 H new ATOM 0 HA VAL A 38 8.881 -0.380 0.334 1.00 0.00 H new ATOM 0 HB VAL A 38 6.876 0.034 1.517 1.00 0.00 H new ATOM 0 HG11 VAL A 38 5.249 1.800 0.801 1.00 0.00 H new ATOM 0 HG12 VAL A 38 6.727 2.473 1.529 1.00 0.00 H new ATOM 0 HG13 VAL A 38 6.512 2.501 -0.237 1.00 0.00 H new ATOM 0 HG21 VAL A 38 5.238 -0.284 -0.346 1.00 0.00 H new ATOM 0 HG22 VAL A 38 6.501 0.211 -1.499 1.00 0.00 H new ATOM 0 HG23 VAL A 38 6.707 -1.271 -0.535 1.00 0.00 H new ATOM 611 N ILE A 39 9.290 0.540 -1.942 1.00 0.00 N ATOM 612 CA ILE A 39 9.678 1.111 -3.228 1.00 0.00 C ATOM 613 C ILE A 39 8.436 1.653 -3.939 1.00 0.00 C ATOM 614 O ILE A 39 7.313 1.356 -3.535 1.00 0.00 O ATOM 615 CB ILE A 39 10.453 0.092 -4.084 1.00 0.00 C ATOM 616 CG1 ILE A 39 9.596 -1.119 -4.489 1.00 0.00 C ATOM 617 CG2 ILE A 39 11.723 -0.371 -3.359 1.00 0.00 C ATOM 618 CD1 ILE A 39 9.417 -1.183 -6.007 1.00 0.00 C ATOM 0 H ILE A 39 9.285 -0.480 -1.911 1.00 0.00 H new ATOM 0 HA ILE A 39 10.362 1.943 -3.062 1.00 0.00 H new ATOM 0 HB ILE A 39 10.733 0.606 -5.004 1.00 0.00 H new ATOM 0 HG12 ILE A 39 10.067 -2.036 -4.136 1.00 0.00 H new ATOM 0 HG13 ILE A 39 8.620 -1.056 -4.007 1.00 0.00 H new ATOM 0 HG21 ILE A 39 12.255 -1.090 -3.981 1.00 0.00 H new ATOM 0 HG22 ILE A 39 12.366 0.488 -3.167 1.00 0.00 H new ATOM 0 HG23 ILE A 39 11.452 -0.840 -2.413 1.00 0.00 H new ATOM 0 HD11 ILE A 39 8.807 -2.049 -6.265 1.00 0.00 H new ATOM 0 HD12 ILE A 39 8.924 -0.275 -6.354 1.00 0.00 H new ATOM 0 HD13 ILE A 39 10.393 -1.271 -6.485 1.00 0.00 H new ATOM 630 N ARG A 40 8.630 2.449 -4.992 1.00 0.00 N ATOM 631 CA ARG A 40 7.560 3.009 -5.797 1.00 0.00 C ATOM 632 C ARG A 40 8.128 3.329 -7.185 1.00 0.00 C ATOM 633 O ARG A 40 9.341 3.508 -7.298 1.00 0.00 O ATOM 634 CB ARG A 40 7.000 4.276 -5.124 1.00 0.00 C ATOM 635 CG ARG A 40 5.778 4.002 -4.227 1.00 0.00 C ATOM 636 CD ARG A 40 6.006 4.460 -2.781 1.00 0.00 C ATOM 637 NE ARG A 40 6.366 5.883 -2.702 1.00 0.00 N ATOM 638 CZ ARG A 40 5.538 6.911 -2.931 1.00 0.00 C ATOM 639 NH1 ARG A 40 4.240 6.695 -3.177 1.00 0.00 N ATOM 640 NH2 ARG A 40 6.019 8.158 -2.916 1.00 0.00 N ATOM 0 H ARG A 40 9.559 2.724 -5.310 1.00 0.00 H new ATOM 0 HA ARG A 40 6.740 2.297 -5.892 1.00 0.00 H new ATOM 0 HB2 ARG A 40 7.785 4.738 -4.525 1.00 0.00 H new ATOM 0 HB3 ARG A 40 6.722 4.995 -5.894 1.00 0.00 H new ATOM 0 HG2 ARG A 40 4.907 4.515 -4.636 1.00 0.00 H new ATOM 0 HG3 ARG A 40 5.554 2.935 -4.237 1.00 0.00 H new ATOM 0 HD2 ARG A 40 5.102 4.282 -2.198 1.00 0.00 H new ATOM 0 HD3 ARG A 40 6.798 3.861 -2.332 1.00 0.00 H new ATOM 0 HE ARG A 40 7.329 6.107 -2.451 1.00 0.00 H new ATOM 0 HH11 ARG A 40 3.875 5.743 -3.191 1.00 0.00 H new ATOM 0 HH12 ARG A 40 3.616 7.483 -3.350 1.00 0.00 H new ATOM 0 HH21 ARG A 40 7.009 8.321 -2.731 1.00 0.00 H new ATOM 0 HH22 ARG A 40 5.396 8.947 -3.089 1.00 0.00 H new ATOM 654 N PRO A 41 7.282 3.431 -8.223 1.00 0.00 N ATOM 655 CA PRO A 41 5.857 3.139 -8.187 1.00 0.00 C ATOM 656 C PRO A 41 5.609 1.633 -8.029 1.00 0.00 C ATOM 657 O PRO A 41 6.528 0.823 -8.127 1.00 0.00 O ATOM 658 CB PRO A 41 5.296 3.690 -9.500 1.00 0.00 C ATOM 659 CG PRO A 41 6.479 3.560 -10.460 1.00 0.00 C ATOM 660 CD PRO A 41 7.688 3.827 -9.561 1.00 0.00 C ATOM 0 HA PRO A 41 5.362 3.600 -7.332 1.00 0.00 H new ATOM 0 HB2 PRO A 41 4.434 3.118 -9.842 1.00 0.00 H new ATOM 0 HB3 PRO A 41 4.971 4.725 -9.397 1.00 0.00 H new ATOM 0 HG2 PRO A 41 6.524 2.569 -10.912 1.00 0.00 H new ATOM 0 HG3 PRO A 41 6.417 4.280 -11.276 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.555 3.255 -9.892 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.971 4.879 -9.588 1.00 0.00 H new ATOM 668 N CYS A 42 4.358 1.291 -7.731 1.00 0.00 N ATOM 669 CA CYS A 42 3.869 -0.052 -7.432 1.00 0.00 C ATOM 670 C CYS A 42 2.615 -0.254 -8.283 1.00 0.00 C ATOM 671 O CYS A 42 2.329 0.588 -9.135 1.00 0.00 O ATOM 672 CB CYS A 42 3.632 -0.181 -5.918 1.00 0.00 C ATOM 673 SG CYS A 42 5.216 -0.554 -5.114 1.00 0.00 S ATOM 0 H CYS A 42 3.613 1.987 -7.689 1.00 0.00 H new ATOM 0 HA CYS A 42 4.583 -0.837 -7.681 1.00 0.00 H new ATOM 0 HB2 CYS A 42 3.214 0.744 -5.520 1.00 0.00 H new ATOM 0 HB3 CYS A 42 2.909 -0.971 -5.714 1.00 0.00 H new ATOM 0 HG CYS A 42 5.702 0.531 -4.588 1.00 0.00 H new ATOM 679 N MET A 43 1.872 -1.351 -8.112 1.00 0.00 N ATOM 680 CA MET A 43 0.809 -1.676 -9.056 1.00 0.00 C ATOM 681 C MET A 43 -0.315 -2.445 -8.359 1.00 0.00 C ATOM 682 O MET A 43 -0.109 -3.041 -7.303 1.00 0.00 O ATOM 683 CB MET A 43 1.439 -2.433 -10.240 1.00 0.00 C ATOM 684 CG MET A 43 0.640 -2.289 -11.539 1.00 0.00 C ATOM 685 SD MET A 43 1.529 -2.720 -13.062 1.00 0.00 S ATOM 686 CE MET A 43 2.141 -4.374 -12.674 1.00 0.00 C ATOM 0 H MET A 43 1.985 -2.014 -7.345 1.00 0.00 H new ATOM 0 HA MET A 43 0.338 -0.774 -9.447 1.00 0.00 H new ATOM 0 HB2 MET A 43 2.452 -2.065 -10.401 1.00 0.00 H new ATOM 0 HB3 MET A 43 1.520 -3.490 -9.986 1.00 0.00 H new ATOM 0 HG2 MET A 43 -0.249 -2.916 -11.469 1.00 0.00 H new ATOM 0 HG3 MET A 43 0.296 -1.258 -11.620 1.00 0.00 H new ATOM 0 HE1 MET A 43 2.660 -4.782 -13.541 1.00 0.00 H new ATOM 0 HE2 MET A 43 2.830 -4.319 -11.831 1.00 0.00 H new ATOM 0 HE3 MET A 43 1.303 -5.021 -12.415 1.00 0.00 H new ATOM 696 N LYS A 44 -1.523 -2.398 -8.918 1.00 0.00 N ATOM 697 CA LYS A 44 -2.683 -3.055 -8.334 1.00 0.00 C ATOM 698 C LYS A 44 -3.508 -3.691 -9.448 1.00 0.00 C ATOM 699 O LYS A 44 -3.206 -3.477 -10.620 1.00 0.00 O ATOM 700 CB LYS A 44 -3.460 -2.033 -7.487 1.00 0.00 C ATOM 701 CG LYS A 44 -4.391 -1.097 -8.272 1.00 0.00 C ATOM 702 CD LYS A 44 -5.842 -1.256 -7.772 1.00 0.00 C ATOM 703 CE LYS A 44 -6.840 -0.761 -8.823 1.00 0.00 C ATOM 704 NZ LYS A 44 -6.578 0.629 -9.234 1.00 0.00 N ATOM 0 H LYS A 44 -1.721 -1.903 -9.788 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.395 -3.863 -7.662 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.054 -2.574 -6.750 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.744 -1.425 -6.935 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.067 -0.063 -8.151 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.337 -1.326 -9.336 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.039 -2.303 -7.543 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.975 -0.696 -6.846 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.795 -1.410 -9.697 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.851 -0.834 -8.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.385 0.986 -9.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.445 1.221 -8.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.719 0.662 -9.819 1.00 0.00 H new ATOM 718 N LYS A 45 -4.558 -4.438 -9.110 1.00 0.00 N ATOM 719 CA LYS A 45 -5.473 -5.007 -10.088 1.00 0.00 C ATOM 720 C LYS A 45 -6.763 -5.415 -9.388 1.00 0.00 C ATOM 721 O LYS A 45 -6.830 -5.333 -8.164 1.00 0.00 O ATOM 722 CB LYS A 45 -4.817 -6.218 -10.765 1.00 0.00 C ATOM 723 CG LYS A 45 -4.555 -7.397 -9.809 1.00 0.00 C ATOM 724 CD LYS A 45 -5.228 -8.680 -10.313 1.00 0.00 C ATOM 725 CE LYS A 45 -4.346 -9.918 -10.123 1.00 0.00 C ATOM 726 NZ LYS A 45 -4.966 -11.107 -10.734 1.00 0.00 N ATOM 0 H LYS A 45 -4.796 -4.664 -8.144 1.00 0.00 H new ATOM 0 HA LYS A 45 -5.705 -4.268 -10.855 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.456 -6.558 -11.580 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.872 -5.906 -11.210 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.481 -7.560 -9.714 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.930 -7.153 -8.815 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.170 -8.824 -9.784 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.470 -8.569 -11.370 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -3.367 -9.744 -10.570 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -4.184 -10.094 -9.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -4.349 -11.932 -10.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.889 -11.284 -10.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.098 -10.945 -11.753 1.00 0.00 H new ATOM 740 N THR A 46 -7.763 -5.891 -10.135 1.00 0.00 N ATOM 741 CA THR A 46 -8.911 -6.560 -9.540 1.00 0.00 C ATOM 742 C THR A 46 -8.660 -8.065 -9.597 1.00 0.00 C ATOM 743 O THR A 46 -8.538 -8.641 -10.678 1.00 0.00 O ATOM 744 CB THR A 46 -10.237 -6.105 -10.165 1.00 0.00 C ATOM 745 OG1 THR A 46 -11.324 -6.587 -9.396 1.00 0.00 O ATOM 746 CG2 THR A 46 -10.426 -6.553 -11.615 1.00 0.00 C ATOM 0 H THR A 46 -7.796 -5.823 -11.152 1.00 0.00 H new ATOM 0 HA THR A 46 -9.020 -6.278 -8.493 1.00 0.00 H new ATOM 0 HB THR A 46 -10.205 -5.015 -10.167 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.005 -6.851 -8.508 1.00 0.00 H new ATOM 0 HG21 THR A 46 -11.386 -6.193 -11.985 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.624 -6.145 -12.230 1.00 0.00 H new ATOM 0 HG23 THR A 46 -10.403 -7.642 -11.665 1.00 0.00 H new ATOM 754 N ILE A 47 -8.494 -8.702 -8.435 1.00 0.00 N ATOM 755 CA ILE A 47 -8.313 -10.142 -8.381 1.00 0.00 C ATOM 756 C ILE A 47 -9.624 -10.814 -8.770 1.00 0.00 C ATOM 757 O ILE A 47 -10.713 -10.406 -8.352 1.00 0.00 O ATOM 758 CB ILE A 47 -7.774 -10.616 -7.025 1.00 0.00 C ATOM 759 CG1 ILE A 47 -7.755 -12.157 -6.971 1.00 0.00 C ATOM 760 CG2 ILE A 47 -8.608 -10.021 -5.895 1.00 0.00 C ATOM 761 CD1 ILE A 47 -6.919 -12.722 -5.817 1.00 0.00 C ATOM 0 H ILE A 47 -8.482 -8.239 -7.526 1.00 0.00 H new ATOM 0 HA ILE A 47 -7.545 -10.435 -9.097 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.749 -10.268 -6.900 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -8.778 -12.521 -6.879 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -7.364 -12.540 -7.913 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -8.218 -10.363 -4.936 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.558 -8.933 -5.940 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -9.645 -10.341 -6.000 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -6.952 -13.811 -5.843 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -5.886 -12.388 -5.918 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -7.323 -12.369 -4.868 1.00 0.00 H new ATOM 773 N TYR A 48 -9.486 -11.843 -9.598 1.00 0.00 N ATOM 774 CA TYR A 48 -10.593 -12.559 -10.182 1.00 0.00 C ATOM 775 C TYR A 48 -10.622 -13.985 -9.654 1.00 0.00 C ATOM 776 O TYR A 48 -9.997 -14.305 -8.645 1.00 0.00 O ATOM 777 CB TYR A 48 -10.513 -12.426 -11.711 1.00 0.00 C ATOM 778 CG TYR A 48 -11.724 -11.712 -12.286 1.00 0.00 C ATOM 779 CD1 TYR A 48 -11.644 -10.318 -12.387 1.00 0.00 C ATOM 780 CD2 TYR A 48 -12.975 -12.339 -12.446 1.00 0.00 C ATOM 781 CE1 TYR A 48 -12.727 -9.565 -12.867 1.00 0.00 C ATOM 782 CE2 TYR A 48 -14.088 -11.575 -12.852 1.00 0.00 C ATOM 783 CZ TYR A 48 -13.948 -10.204 -13.126 1.00 0.00 C ATOM 784 OH TYR A 48 -15.021 -9.488 -13.563 1.00 0.00 O ATOM 0 H TYR A 48 -8.576 -12.204 -9.883 1.00 0.00 H new ATOM 0 HA TYR A 48 -11.553 -12.134 -9.891 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -9.609 -11.880 -11.980 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -10.431 -13.417 -12.157 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -10.736 -9.814 -12.091 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -13.081 -13.397 -12.259 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -12.621 -8.503 -13.035 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -15.054 -12.046 -12.953 1.00 0.00 H new ATOM 0 HH TYR A 48 -15.784 -10.089 -13.693 1.00 0.00 H new ATOM 923 N LYS A 57 -13.412 -11.153 -6.562 1.00 0.00 N ATOM 924 CA LYS A 57 -12.927 -11.204 -5.190 1.00 0.00 C ATOM 925 C LYS A 57 -12.846 -9.767 -4.665 1.00 0.00 C ATOM 926 O LYS A 57 -13.383 -9.444 -3.604 1.00 0.00 O ATOM 927 CB LYS A 57 -11.559 -11.909 -5.157 1.00 0.00 C ATOM 928 CG LYS A 57 -11.574 -13.254 -4.422 1.00 0.00 C ATOM 929 CD LYS A 57 -11.551 -13.071 -2.895 1.00 0.00 C ATOM 930 CE LYS A 57 -10.646 -14.115 -2.228 1.00 0.00 C ATOM 931 NZ LYS A 57 -11.135 -15.489 -2.443 1.00 0.00 N ATOM 0 HA LYS A 57 -13.601 -11.774 -4.550 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.218 -12.068 -6.180 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.833 -11.252 -4.678 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -12.464 -13.814 -4.708 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.712 -13.846 -4.730 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -11.197 -12.069 -2.651 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.563 -13.157 -2.500 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -9.635 -14.024 -2.624 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -10.588 -13.914 -1.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -10.544 -16.156 -1.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -12.121 -15.561 -2.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -11.086 -15.721 -3.456 1.00 0.00 H new ATOM 945 N GLY A 58 -12.205 -8.888 -5.438 1.00 0.00 N ATOM 946 CA GLY A 58 -12.105 -7.480 -5.110 1.00 0.00 C ATOM 947 C GLY A 58 -10.875 -6.881 -5.765 1.00 0.00 C ATOM 948 O GLY A 58 -10.419 -7.354 -6.809 1.00 0.00 O ATOM 0 H GLY A 58 -11.742 -9.142 -6.311 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -12.999 -6.955 -5.447 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -12.050 -7.353 -4.029 1.00 0.00 H new ATOM 952 N TYR A 59 -10.339 -5.839 -5.134 1.00 0.00 N ATOM 953 CA TYR A 59 -9.052 -5.277 -5.495 1.00 0.00 C ATOM 954 C TYR A 59 -7.946 -6.079 -4.834 1.00 0.00 C ATOM 955 O TYR A 59 -8.148 -6.637 -3.759 1.00 0.00 O ATOM 956 CB TYR A 59 -8.983 -3.785 -5.130 1.00 0.00 C ATOM 957 CG TYR A 59 -9.747 -2.945 -6.133 1.00 0.00 C ATOM 958 CD1 TYR A 59 -9.310 -2.935 -7.472 1.00 0.00 C ATOM 959 CD2 TYR A 59 -10.988 -2.372 -5.800 1.00 0.00 C ATOM 960 CE1 TYR A 59 -10.118 -2.373 -8.474 1.00 0.00 C ATOM 961 CE2 TYR A 59 -11.780 -1.779 -6.800 1.00 0.00 C ATOM 962 CZ TYR A 59 -11.352 -1.791 -8.139 1.00 0.00 C ATOM 963 OH TYR A 59 -12.121 -1.236 -9.118 1.00 0.00 O ATOM 0 H TYR A 59 -10.792 -5.362 -4.354 1.00 0.00 H new ATOM 0 HA TYR A 59 -8.919 -5.341 -6.575 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -9.395 -3.631 -4.133 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -7.942 -3.463 -5.098 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -8.351 -3.361 -7.729 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -11.333 -2.387 -4.777 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -9.790 -2.388 -9.503 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -12.719 -1.314 -6.539 1.00 0.00 H new ATOM 0 HH TYR A 59 -12.943 -0.877 -8.724 1.00 0.00 H new ATOM 973 N GLU A 60 -6.798 -6.154 -5.504 1.00 0.00 N ATOM 974 CA GLU A 60 -5.542 -6.564 -4.932 1.00 0.00 C ATOM 975 C GLU A 60 -4.601 -5.394 -5.187 1.00 0.00 C ATOM 976 O GLU A 60 -4.558 -4.885 -6.306 1.00 0.00 O ATOM 977 CB GLU A 60 -4.976 -7.814 -5.604 1.00 0.00 C ATOM 978 CG GLU A 60 -5.090 -9.054 -4.712 1.00 0.00 C ATOM 979 CD GLU A 60 -4.198 -10.191 -5.203 1.00 0.00 C ATOM 980 OE1 GLU A 60 -4.135 -10.373 -6.438 1.00 0.00 O ATOM 981 OE2 GLU A 60 -3.593 -10.856 -4.334 1.00 0.00 O ATOM 0 H GLU A 60 -6.727 -5.920 -6.494 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.664 -6.811 -3.877 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.505 -7.992 -6.540 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.929 -7.646 -5.857 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.816 -8.793 -3.690 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.127 -9.390 -4.688 1.00 0.00 H new ATOM 988 N TYR A 61 -3.843 -5.006 -4.171 1.00 0.00 N ATOM 989 CA TYR A 61 -2.791 -4.011 -4.243 1.00 0.00 C ATOM 990 C TYR A 61 -1.470 -4.763 -4.047 1.00 0.00 C ATOM 991 O TYR A 61 -1.343 -5.461 -3.041 1.00 0.00 O ATOM 992 CB TYR A 61 -3.031 -2.943 -3.164 1.00 0.00 C ATOM 993 CG TYR A 61 -4.410 -2.281 -3.159 1.00 0.00 C ATOM 994 CD1 TYR A 61 -4.738 -1.324 -4.135 1.00 0.00 C ATOM 995 CD2 TYR A 61 -5.293 -2.484 -2.080 1.00 0.00 C ATOM 996 CE1 TYR A 61 -5.948 -0.608 -4.048 1.00 0.00 C ATOM 997 CE2 TYR A 61 -6.456 -1.690 -1.943 1.00 0.00 C ATOM 998 CZ TYR A 61 -6.799 -0.784 -2.951 1.00 0.00 C ATOM 999 OH TYR A 61 -7.966 -0.082 -2.859 1.00 0.00 O ATOM 0 H TYR A 61 -3.952 -5.395 -3.235 1.00 0.00 H new ATOM 0 HA TYR A 61 -2.769 -3.487 -5.199 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -2.868 -3.400 -2.188 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -2.278 -2.164 -3.281 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -4.060 -1.137 -4.955 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -5.080 -3.252 -1.351 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -6.221 0.081 -4.833 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -7.076 -1.783 -1.064 1.00 0.00 H new ATOM 0 HH TYR A 61 -8.433 -0.330 -2.034 1.00 0.00 H new ATOM 1009 N GLN A 62 -0.528 -4.681 -5.000 1.00 0.00 N ATOM 1010 CA GLN A 62 0.752 -5.387 -4.953 1.00 0.00 C ATOM 1011 C GLN A 62 1.863 -4.363 -4.741 1.00 0.00 C ATOM 1012 O GLN A 62 2.048 -3.465 -5.564 1.00 0.00 O ATOM 1013 CB GLN A 62 0.961 -6.173 -6.257 1.00 0.00 C ATOM 1014 CG GLN A 62 2.134 -7.169 -6.230 1.00 0.00 C ATOM 1015 CD GLN A 62 3.510 -6.531 -6.418 1.00 0.00 C ATOM 1016 OE1 GLN A 62 3.898 -6.204 -7.534 1.00 0.00 O ATOM 1017 NE2 GLN A 62 4.283 -6.374 -5.347 1.00 0.00 N ATOM 0 H GLN A 62 -0.642 -4.111 -5.838 1.00 0.00 H new ATOM 0 HA GLN A 62 0.764 -6.101 -4.129 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.045 -6.718 -6.487 1.00 0.00 H new ATOM 0 HB3 GLN A 62 1.123 -5.465 -7.070 1.00 0.00 H new ATOM 0 HG2 GLN A 62 2.121 -7.701 -5.279 1.00 0.00 H new ATOM 0 HG3 GLN A 62 1.982 -7.912 -7.013 1.00 0.00 H new ATOM 0 HE21 GLN A 62 3.942 -6.652 -4.427 1.00 0.00 H new ATOM 0 HE22 GLN A 62 5.217 -5.975 -5.446 1.00 0.00 H new ATOM 1026 N LEU A 63 2.612 -4.499 -3.647 1.00 0.00 N ATOM 1027 CA LEU A 63 3.733 -3.622 -3.366 1.00 0.00 C ATOM 1028 C LEU A 63 4.938 -4.406 -2.844 1.00 0.00 C ATOM 1029 O LEU A 63 4.844 -5.599 -2.544 1.00 0.00 O ATOM 1030 CB LEU A 63 3.270 -2.445 -2.493 1.00 0.00 C ATOM 1031 CG LEU A 63 2.450 -2.828 -1.246 1.00 0.00 C ATOM 1032 CD1 LEU A 63 3.311 -2.777 0.017 1.00 0.00 C ATOM 1033 CD2 LEU A 63 1.252 -1.887 -1.097 1.00 0.00 C ATOM 0 H LEU A 63 2.455 -5.217 -2.939 1.00 0.00 H new ATOM 0 HA LEU A 63 4.101 -3.170 -4.287 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.149 -1.886 -2.171 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.672 -1.772 -3.108 1.00 0.00 H new ATOM 0 HG LEU A 63 2.094 -3.850 -1.376 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.706 -3.052 0.881 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.142 -3.475 -0.081 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.699 -1.767 0.152 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.678 -2.165 -0.213 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.606 -0.861 -0.992 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.618 -1.963 -1.980 1.00 0.00 H new ATOM 1045 N TYR A 64 6.094 -3.738 -2.837 1.00 0.00 N ATOM 1046 CA TYR A 64 7.399 -4.328 -2.613 1.00 0.00 C ATOM 1047 C TYR A 64 8.123 -3.539 -1.519 1.00 0.00 C ATOM 1048 O TYR A 64 8.526 -2.392 -1.725 1.00 0.00 O ATOM 1049 CB TYR A 64 8.155 -4.314 -3.947 1.00 0.00 C ATOM 1050 CG TYR A 64 8.073 -5.613 -4.726 1.00 0.00 C ATOM 1051 CD1 TYR A 64 8.583 -6.795 -4.160 1.00 0.00 C ATOM 1052 CD2 TYR A 64 7.504 -5.647 -6.014 1.00 0.00 C ATOM 1053 CE1 TYR A 64 8.480 -8.011 -4.853 1.00 0.00 C ATOM 1054 CE2 TYR A 64 7.378 -6.870 -6.696 1.00 0.00 C ATOM 1055 CZ TYR A 64 7.858 -8.056 -6.110 1.00 0.00 C ATOM 1056 OH TYR A 64 7.720 -9.250 -6.751 1.00 0.00 O ATOM 0 H TYR A 64 6.139 -2.731 -2.994 1.00 0.00 H new ATOM 0 HA TYR A 64 7.326 -5.360 -2.270 1.00 0.00 H new ATOM 0 HB2 TYR A 64 7.761 -3.508 -4.566 1.00 0.00 H new ATOM 0 HB3 TYR A 64 9.203 -4.085 -3.755 1.00 0.00 H new ATOM 0 HD1 TYR A 64 9.055 -6.767 -3.189 1.00 0.00 H new ATOM 0 HD2 TYR A 64 7.164 -4.733 -6.478 1.00 0.00 H new ATOM 0 HE1 TYR A 64 8.881 -8.915 -4.418 1.00 0.00 H new ATOM 0 HE2 TYR A 64 6.913 -6.899 -7.670 1.00 0.00 H new ATOM 0 HH TYR A 64 7.268 -9.110 -7.609 1.00 0.00 H new ATOM 1066 N VAL A 65 8.242 -4.154 -0.341 1.00 0.00 N ATOM 1067 CA VAL A 65 8.727 -3.522 0.873 1.00 0.00 C ATOM 1068 C VAL A 65 10.217 -3.845 1.026 1.00 0.00 C ATOM 1069 O VAL A 65 10.599 -5.018 1.020 1.00 0.00 O ATOM 1070 CB VAL A 65 7.887 -4.011 2.063 1.00 0.00 C ATOM 1071 CG1 VAL A 65 8.337 -3.308 3.339 1.00 0.00 C ATOM 1072 CG2 VAL A 65 6.393 -3.757 1.822 1.00 0.00 C ATOM 0 H VAL A 65 7.994 -5.135 -0.208 1.00 0.00 H new ATOM 0 HA VAL A 65 8.624 -2.438 0.830 1.00 0.00 H new ATOM 0 HB VAL A 65 8.037 -5.085 2.171 1.00 0.00 H new ATOM 0 HG11 VAL A 65 7.737 -3.659 4.179 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.388 -3.530 3.525 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.208 -2.232 3.226 1.00 0.00 H new ATOM 0 HG21 VAL A 65 5.821 -4.112 2.679 1.00 0.00 H new ATOM 0 HG22 VAL A 65 6.222 -2.689 1.689 1.00 0.00 H new ATOM 0 HG23 VAL A 65 6.073 -4.289 0.926 1.00 0.00 H new ATOM 1082 N TYR A 66 11.064 -2.820 1.159 1.00 0.00 N ATOM 1083 CA TYR A 66 12.513 -2.971 1.163 1.00 0.00 C ATOM 1084 C TYR A 66 13.004 -3.301 2.576 1.00 0.00 C ATOM 1085 O TYR A 66 13.849 -2.612 3.147 1.00 0.00 O ATOM 1086 CB TYR A 66 13.132 -1.684 0.601 1.00 0.00 C ATOM 1087 CG TYR A 66 14.551 -1.843 0.105 1.00 0.00 C ATOM 1088 CD1 TYR A 66 14.806 -2.723 -0.957 1.00 0.00 C ATOM 1089 CD2 TYR A 66 15.607 -1.123 0.692 1.00 0.00 C ATOM 1090 CE1 TYR A 66 16.116 -2.898 -1.428 1.00 0.00 C ATOM 1091 CE2 TYR A 66 16.921 -1.310 0.232 1.00 0.00 C ATOM 1092 CZ TYR A 66 17.175 -2.207 -0.821 1.00 0.00 C ATOM 1093 OH TYR A 66 18.454 -2.468 -1.206 1.00 0.00 O ATOM 0 H TYR A 66 10.755 -1.854 1.268 1.00 0.00 H new ATOM 0 HA TYR A 66 12.823 -3.802 0.530 1.00 0.00 H new ATOM 0 HB2 TYR A 66 12.511 -1.324 -0.219 1.00 0.00 H new ATOM 0 HB3 TYR A 66 13.114 -0.917 1.376 1.00 0.00 H new ATOM 0 HD1 TYR A 66 13.992 -3.267 -1.413 1.00 0.00 H new ATOM 0 HD2 TYR A 66 15.408 -0.428 1.494 1.00 0.00 H new ATOM 0 HE1 TYR A 66 16.309 -3.564 -2.256 1.00 0.00 H new ATOM 0 HE2 TYR A 66 17.735 -0.765 0.687 1.00 0.00 H new ATOM 0 HH TYR A 66 19.033 -2.504 -0.416 1.00 0.00 H new ATOM 1103 N ALA A 67 12.448 -4.357 3.164 1.00 0.00 N ATOM 1104 CA ALA A 67 12.613 -4.668 4.576 1.00 0.00 C ATOM 1105 C ALA A 67 13.850 -5.540 4.752 1.00 0.00 C ATOM 1106 O ALA A 67 14.145 -6.358 3.887 1.00 0.00 O ATOM 1107 CB ALA A 67 11.347 -5.348 5.094 1.00 0.00 C ATOM 0 H ALA A 67 11.863 -5.027 2.665 1.00 0.00 H new ATOM 0 HA ALA A 67 12.760 -3.759 5.159 1.00 0.00 H new ATOM 0 HB1 ALA A 67 11.467 -5.583 6.152 1.00 0.00 H new ATOM 0 HB2 ALA A 67 10.496 -4.679 4.965 1.00 0.00 H new ATOM 0 HB3 ALA A 67 11.174 -6.268 4.536 1.00 0.00 H new ATOM 1113 N SER A 68 14.608 -5.362 5.839 1.00 0.00 N ATOM 1114 CA SER A 68 15.880 -6.063 6.020 1.00 0.00 C ATOM 1115 C SER A 68 16.863 -5.881 4.852 1.00 0.00 C ATOM 1116 O SER A 68 17.763 -6.708 4.712 1.00 0.00 O ATOM 1117 CB SER A 68 15.641 -7.566 6.215 1.00 0.00 C ATOM 1118 OG SER A 68 16.769 -8.160 6.822 1.00 0.00 O ATOM 0 H SER A 68 14.361 -4.737 6.607 1.00 0.00 H new ATOM 0 HA SER A 68 16.331 -5.615 6.905 1.00 0.00 H new ATOM 0 HB2 SER A 68 14.759 -7.725 6.835 1.00 0.00 H new ATOM 0 HB3 SER A 68 15.444 -8.039 5.253 1.00 0.00 H new ATOM 0 HG SER A 68 17.581 -7.873 6.354 1.00 0.00 H new ATOM 1124 N ASP A 69 16.685 -4.856 4.009 1.00 0.00 N ATOM 1125 CA ASP A 69 17.414 -4.695 2.754 1.00 0.00 C ATOM 1126 C ASP A 69 17.200 -5.904 1.822 1.00 0.00 C ATOM 1127 O ASP A 69 18.108 -6.300 1.097 1.00 0.00 O ATOM 1128 CB ASP A 69 18.894 -4.394 3.055 1.00 0.00 C ATOM 1129 CG ASP A 69 19.709 -4.002 1.826 1.00 0.00 C ATOM 1130 OD1 ASP A 69 19.386 -2.944 1.243 1.00 0.00 O ATOM 1131 OD2 ASP A 69 20.671 -4.736 1.512 1.00 0.00 O ATOM 0 H ASP A 69 16.018 -4.105 4.187 1.00 0.00 H new ATOM 0 HA ASP A 69 17.019 -3.841 2.204 1.00 0.00 H new ATOM 0 HB2 ASP A 69 18.949 -3.588 3.787 1.00 0.00 H new ATOM 0 HB3 ASP A 69 19.347 -5.273 3.514 1.00 0.00 H new ATOM 1136 N LYS A 70 15.990 -6.478 1.816 1.00 0.00 N ATOM 1137 CA LYS A 70 15.542 -7.460 0.838 1.00 0.00 C ATOM 1138 C LYS A 70 14.182 -6.985 0.338 1.00 0.00 C ATOM 1139 O LYS A 70 13.537 -6.160 0.987 1.00 0.00 O ATOM 1140 CB LYS A 70 15.388 -8.863 1.448 1.00 0.00 C ATOM 1141 CG LYS A 70 16.688 -9.663 1.608 1.00 0.00 C ATOM 1142 CD LYS A 70 17.429 -9.350 2.911 1.00 0.00 C ATOM 1143 CE LYS A 70 18.380 -10.496 3.275 1.00 0.00 C ATOM 1144 NZ LYS A 70 19.049 -10.243 4.562 1.00 0.00 N ATOM 0 H LYS A 70 15.280 -6.261 2.515 1.00 0.00 H new ATOM 0 HA LYS A 70 16.280 -7.539 0.040 1.00 0.00 H new ATOM 0 HB2 LYS A 70 14.920 -8.764 2.428 1.00 0.00 H new ATOM 0 HB3 LYS A 70 14.703 -9.438 0.824 1.00 0.00 H new ATOM 0 HG2 LYS A 70 16.459 -10.728 1.574 1.00 0.00 H new ATOM 0 HG3 LYS A 70 17.344 -9.451 0.764 1.00 0.00 H new ATOM 0 HD2 LYS A 70 17.992 -8.423 2.803 1.00 0.00 H new ATOM 0 HD3 LYS A 70 16.711 -9.195 3.717 1.00 0.00 H new ATOM 0 HE2 LYS A 70 17.823 -11.431 3.329 1.00 0.00 H new ATOM 0 HE3 LYS A 70 19.127 -10.615 2.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 19.686 -11.034 4.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 19.599 -9.362 4.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 18.335 -10.153 5.313 1.00 0.00 H new ATOM 1158 N LEU A 71 13.736 -7.507 -0.807 1.00 0.00 N ATOM 1159 CA LEU A 71 12.431 -7.172 -1.340 1.00 0.00 C ATOM 1160 C LEU A 71 11.434 -8.167 -0.765 1.00 0.00 C ATOM 1161 O LEU A 71 11.254 -9.271 -1.274 1.00 0.00 O ATOM 1162 CB LEU A 71 12.439 -7.180 -2.871 1.00 0.00 C ATOM 1163 CG LEU A 71 13.025 -5.896 -3.475 1.00 0.00 C ATOM 1164 CD1 LEU A 71 12.142 -4.672 -3.218 1.00 0.00 C ATOM 1165 CD2 LEU A 71 14.471 -5.646 -3.046 1.00 0.00 C ATOM 0 H LEU A 71 14.268 -8.164 -1.378 1.00 0.00 H new ATOM 0 HA LEU A 71 12.146 -6.160 -1.051 1.00 0.00 H new ATOM 0 HB2 LEU A 71 13.016 -8.036 -3.221 1.00 0.00 H new ATOM 0 HB3 LEU A 71 11.420 -7.313 -3.233 1.00 0.00 H new ATOM 0 HG LEU A 71 13.041 -6.058 -4.553 1.00 0.00 H new ATOM 0 HD11 LEU A 71 12.602 -3.791 -3.666 1.00 0.00 H new ATOM 0 HD12 LEU A 71 11.159 -4.833 -3.661 1.00 0.00 H new ATOM 0 HD13 LEU A 71 12.035 -4.519 -2.144 1.00 0.00 H new ATOM 0 HD21 LEU A 71 14.832 -4.725 -3.504 1.00 0.00 H new ATOM 0 HD22 LEU A 71 14.518 -5.555 -1.961 1.00 0.00 H new ATOM 0 HD23 LEU A 71 15.095 -6.480 -3.367 1.00 0.00 H new ATOM 1177 N PHE A 72 10.774 -7.763 0.314 1.00 0.00 N ATOM 1178 CA PHE A 72 9.649 -8.508 0.835 1.00 0.00 C ATOM 1179 C PHE A 72 8.449 -8.115 -0.013 1.00 0.00 C ATOM 1180 O PHE A 72 7.996 -6.969 0.033 1.00 0.00 O ATOM 1181 CB PHE A 72 9.465 -8.191 2.319 1.00 0.00 C ATOM 1182 CG PHE A 72 10.392 -8.990 3.207 1.00 0.00 C ATOM 1183 CD1 PHE A 72 11.664 -8.481 3.485 1.00 0.00 C ATOM 1184 CD2 PHE A 72 10.036 -10.272 3.666 1.00 0.00 C ATOM 1185 CE1 PHE A 72 12.561 -9.203 4.286 1.00 0.00 C ATOM 1186 CE2 PHE A 72 10.941 -11.012 4.450 1.00 0.00 C ATOM 1187 CZ PHE A 72 12.202 -10.474 4.766 1.00 0.00 C ATOM 0 H PHE A 72 11.004 -6.921 0.842 1.00 0.00 H new ATOM 0 HA PHE A 72 9.794 -9.587 0.777 1.00 0.00 H new ATOM 0 HB2 PHE A 72 9.639 -7.128 2.483 1.00 0.00 H new ATOM 0 HB3 PHE A 72 8.432 -8.393 2.604 1.00 0.00 H new ATOM 0 HD1 PHE A 72 11.958 -7.524 3.080 1.00 0.00 H new ATOM 0 HD2 PHE A 72 9.070 -10.687 3.417 1.00 0.00 H new ATOM 0 HE1 PHE A 72 13.525 -8.783 4.533 1.00 0.00 H new ATOM 0 HE2 PHE A 72 10.667 -11.993 4.809 1.00 0.00 H new ATOM 0 HZ PHE A 72 12.893 -11.037 5.376 1.00 0.00 H new ATOM 1197 N ARG A 73 7.947 -9.061 -0.808 1.00 0.00 N ATOM 1198 CA ARG A 73 6.723 -8.855 -1.545 1.00 0.00 C ATOM 1199 C ARG A 73 5.605 -8.726 -0.518 1.00 0.00 C ATOM 1200 O ARG A 73 5.594 -9.454 0.476 1.00 0.00 O ATOM 1201 CB ARG A 73 6.485 -10.027 -2.505 1.00 0.00 C ATOM 1202 CG ARG A 73 5.282 -9.750 -3.410 1.00 0.00 C ATOM 1203 CD ARG A 73 5.018 -10.930 -4.350 1.00 0.00 C ATOM 1204 NE ARG A 73 3.669 -10.837 -4.922 1.00 0.00 N ATOM 1205 CZ ARG A 73 3.133 -11.725 -5.769 1.00 0.00 C ATOM 1206 NH1 ARG A 73 3.871 -12.736 -6.244 1.00 0.00 N ATOM 1207 NH2 ARG A 73 1.852 -11.600 -6.126 1.00 0.00 N ATOM 0 H ARG A 73 8.378 -9.974 -0.951 1.00 0.00 H new ATOM 0 HA ARG A 73 6.768 -7.954 -2.157 1.00 0.00 H new ATOM 0 HB2 ARG A 73 7.374 -10.191 -3.114 1.00 0.00 H new ATOM 0 HB3 ARG A 73 6.315 -10.941 -1.936 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.399 -9.562 -2.799 1.00 0.00 H new ATOM 0 HG3 ARG A 73 5.463 -8.848 -3.995 1.00 0.00 H new ATOM 0 HD2 ARG A 73 5.759 -10.939 -5.149 1.00 0.00 H new ATOM 0 HD3 ARG A 73 5.125 -11.868 -3.805 1.00 0.00 H new ATOM 0 HE ARG A 73 3.097 -10.036 -4.654 1.00 0.00 H new ATOM 0 HH11 ARG A 73 4.846 -12.832 -5.961 1.00 0.00 H new ATOM 0 HH12 ARG A 73 3.458 -13.410 -6.889 1.00 0.00 H new ATOM 0 HH21 ARG A 73 1.291 -10.833 -5.754 1.00 0.00 H new ATOM 0 HH22 ARG A 73 1.434 -12.271 -6.771 1.00 0.00 H new ATOM 1221 N ALA A 74 4.673 -7.801 -0.728 1.00 0.00 N ATOM 1222 CA ALA A 74 3.522 -7.672 0.136 1.00 0.00 C ATOM 1223 C ALA A 74 2.312 -7.329 -0.732 1.00 0.00 C ATOM 1224 O ALA A 74 2.325 -6.326 -1.445 1.00 0.00 O ATOM 1225 CB ALA A 74 3.817 -6.637 1.218 1.00 0.00 C ATOM 0 H ALA A 74 4.700 -7.130 -1.496 1.00 0.00 H new ATOM 0 HA ALA A 74 3.296 -8.602 0.658 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.951 -6.537 1.872 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.678 -6.958 1.804 1.00 0.00 H new ATOM 0 HB3 ALA A 74 4.033 -5.675 0.752 1.00 0.00 H new ATOM 1231 N ASP A 75 1.284 -8.181 -0.702 1.00 0.00 N ATOM 1232 CA ASP A 75 0.051 -7.990 -1.451 1.00 0.00 C ATOM 1233 C ASP A 75 -1.051 -7.737 -0.427 1.00 0.00 C ATOM 1234 O ASP A 75 -0.952 -8.210 0.698 1.00 0.00 O ATOM 1235 CB ASP A 75 -0.255 -9.235 -2.301 1.00 0.00 C ATOM 1236 CG ASP A 75 0.710 -9.438 -3.471 1.00 0.00 C ATOM 1237 OD1 ASP A 75 1.923 -9.202 -3.279 1.00 0.00 O ATOM 1238 OD2 ASP A 75 0.230 -9.840 -4.553 1.00 0.00 O ATOM 0 H ASP A 75 1.291 -9.036 -0.145 1.00 0.00 H new ATOM 0 HA ASP A 75 0.131 -7.148 -2.139 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -0.225 -10.117 -1.661 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -1.271 -9.157 -2.689 1.00 0.00 H new ATOM 1243 N ILE A 76 -2.104 -7.008 -0.778 1.00 0.00 N ATOM 1244 CA ILE A 76 -3.290 -6.876 0.062 1.00 0.00 C ATOM 1245 C ILE A 76 -4.488 -7.100 -0.847 1.00 0.00 C ATOM 1246 O ILE A 76 -4.451 -6.618 -1.972 1.00 0.00 O ATOM 1247 CB ILE A 76 -3.313 -5.482 0.716 1.00 0.00 C ATOM 1248 CG1 ILE A 76 -2.269 -5.330 1.838 1.00 0.00 C ATOM 1249 CG2 ILE A 76 -4.709 -5.115 1.237 1.00 0.00 C ATOM 1250 CD1 ILE A 76 -2.501 -6.274 3.022 1.00 0.00 C ATOM 0 H ILE A 76 -2.160 -6.490 -1.655 1.00 0.00 H new ATOM 0 HA ILE A 76 -3.301 -7.601 0.876 1.00 0.00 H new ATOM 0 HB ILE A 76 -3.046 -4.783 -0.077 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.276 -5.513 1.427 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.280 -4.301 2.197 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -4.679 -4.124 1.690 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -5.418 -5.114 0.409 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -5.023 -5.846 1.982 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.728 -6.112 3.774 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.480 -6.076 3.459 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.460 -7.307 2.677 1.00 0.00 H new ATOM 1262 N SER A 77 -5.512 -7.818 -0.376 1.00 0.00 N ATOM 1263 CA SER A 77 -6.770 -8.047 -1.070 1.00 0.00 C ATOM 1264 C SER A 77 -7.886 -7.284 -0.373 1.00 0.00 C ATOM 1265 O SER A 77 -7.832 -7.109 0.844 1.00 0.00 O ATOM 1266 CB SER A 77 -7.121 -9.536 -1.050 1.00 0.00 C ATOM 1267 OG SER A 77 -6.494 -10.224 -2.109 1.00 0.00 O ATOM 0 H SER A 77 -5.480 -8.271 0.537 1.00 0.00 H new ATOM 0 HA SER A 77 -6.663 -7.706 -2.100 1.00 0.00 H new ATOM 0 HB2 SER A 77 -6.815 -9.971 -0.099 1.00 0.00 H new ATOM 0 HB3 SER A 77 -8.202 -9.658 -1.123 1.00 0.00 H new ATOM 0 HG SER A 77 -6.735 -11.173 -2.070 1.00 0.00 H new ATOM 1273 N GLU A 78 -8.907 -6.875 -1.131 1.00 0.00 N ATOM 1274 CA GLU A 78 -10.085 -6.194 -0.639 1.00 0.00 C ATOM 1275 C GLU A 78 -11.310 -7.067 -0.864 1.00 0.00 C ATOM 1276 O GLU A 78 -11.271 -8.023 -1.636 1.00 0.00 O ATOM 1277 CB GLU A 78 -10.267 -4.850 -1.363 1.00 0.00 C ATOM 1278 CG GLU A 78 -9.435 -3.705 -0.777 1.00 0.00 C ATOM 1279 CD GLU A 78 -7.998 -4.094 -0.470 1.00 0.00 C ATOM 1280 OE1 GLU A 78 -7.320 -4.553 -1.415 1.00 0.00 O ATOM 1281 OE2 GLU A 78 -7.596 -3.892 0.696 1.00 0.00 O ATOM 0 H GLU A 78 -8.927 -7.019 -2.141 1.00 0.00 H new ATOM 0 HA GLU A 78 -9.963 -6.004 0.427 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -10.002 -4.977 -2.413 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -11.321 -4.572 -1.331 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -9.435 -2.871 -1.478 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -9.911 -3.352 0.138 1.00 0.00 H new ATOM 1288 N ASP A 79 -12.405 -6.692 -0.205 1.00 0.00 N ATOM 1289 CA ASP A 79 -13.703 -7.334 -0.348 1.00 0.00 C ATOM 1290 C ASP A 79 -14.570 -6.544 -1.328 1.00 0.00 C ATOM 1291 O ASP A 79 -15.189 -5.563 -0.914 1.00 0.00 O ATOM 1292 CB ASP A 79 -14.379 -7.415 1.027 1.00 0.00 C ATOM 1293 CG ASP A 79 -15.760 -8.069 0.976 1.00 0.00 C ATOM 1294 OD1 ASP A 79 -16.118 -8.613 -0.092 1.00 0.00 O ATOM 1295 OD2 ASP A 79 -16.444 -7.997 2.018 1.00 0.00 O ATOM 0 H ASP A 79 -12.411 -5.916 0.457 1.00 0.00 H new ATOM 0 HA ASP A 79 -13.574 -8.342 -0.741 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -13.741 -7.979 1.707 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -14.474 -6.410 1.439 1.00 0.00 H new ATOM 1300 N TYR A 80 -14.641 -7.003 -2.585 1.00 0.00 N ATOM 1301 CA TYR A 80 -15.535 -6.517 -3.641 1.00 0.00 C ATOM 1302 C TYR A 80 -16.842 -5.895 -3.130 1.00 0.00 C ATOM 1303 O TYR A 80 -17.188 -4.788 -3.534 1.00 0.00 O ATOM 1304 CB TYR A 80 -15.858 -7.686 -4.585 1.00 0.00 C ATOM 1305 CG TYR A 80 -16.937 -7.425 -5.621 1.00 0.00 C ATOM 1306 CD1 TYR A 80 -16.938 -6.235 -6.374 1.00 0.00 C ATOM 1307 CD2 TYR A 80 -17.967 -8.367 -5.807 1.00 0.00 C ATOM 1308 CE1 TYR A 80 -17.991 -5.963 -7.263 1.00 0.00 C ATOM 1309 CE2 TYR A 80 -19.011 -8.100 -6.709 1.00 0.00 C ATOM 1310 CZ TYR A 80 -19.033 -6.891 -7.421 1.00 0.00 C ATOM 1311 OH TYR A 80 -20.072 -6.623 -8.262 1.00 0.00 O ATOM 0 H TYR A 80 -14.044 -7.764 -2.908 1.00 0.00 H new ATOM 0 HA TYR A 80 -15.006 -5.714 -4.154 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -14.943 -7.970 -5.105 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -16.161 -8.542 -3.981 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -16.127 -5.530 -6.268 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -17.955 -9.296 -5.256 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -17.999 -5.041 -7.825 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -19.797 -8.826 -6.854 1.00 0.00 H new ATOM 0 HH TYR A 80 -20.703 -7.373 -8.252 1.00 0.00 H new ATOM 1321 N LYS A 81 -17.575 -6.627 -2.284 1.00 0.00 N ATOM 1322 CA LYS A 81 -18.844 -6.224 -1.696 1.00 0.00 C ATOM 1323 C LYS A 81 -18.792 -4.762 -1.224 1.00 0.00 C ATOM 1324 O LYS A 81 -19.685 -3.978 -1.540 1.00 0.00 O ATOM 1325 CB LYS A 81 -19.145 -7.236 -0.572 1.00 0.00 C ATOM 1326 CG LYS A 81 -20.490 -7.112 0.156 1.00 0.00 C ATOM 1327 CD LYS A 81 -20.497 -5.882 1.064 1.00 0.00 C ATOM 1328 CE LYS A 81 -21.534 -5.944 2.190 1.00 0.00 C ATOM 1329 NZ LYS A 81 -21.104 -6.838 3.280 1.00 0.00 N ATOM 0 H LYS A 81 -17.282 -7.556 -1.981 1.00 0.00 H new ATOM 0 HA LYS A 81 -19.658 -6.245 -2.420 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -19.085 -8.238 -0.997 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -18.352 -7.157 0.172 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -21.298 -7.039 -0.571 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -20.674 -8.009 0.748 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -19.506 -5.761 1.503 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -20.687 -4.997 0.457 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -21.701 -4.942 2.586 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -22.486 -6.291 1.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -21.831 -6.854 4.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -20.969 -7.799 2.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -20.208 -6.492 3.680 1.00 0.00 H new ATOM 1343 N THR A 82 -17.747 -4.418 -0.469 1.00 0.00 N ATOM 1344 CA THR A 82 -17.518 -3.096 0.087 1.00 0.00 C ATOM 1345 C THR A 82 -16.061 -2.675 -0.170 1.00 0.00 C ATOM 1346 O THR A 82 -15.742 -2.202 -1.258 1.00 0.00 O ATOM 1347 CB THR A 82 -17.946 -3.116 1.567 1.00 0.00 C ATOM 1348 OG1 THR A 82 -19.347 -3.263 1.643 1.00 0.00 O ATOM 1349 CG2 THR A 82 -17.619 -1.820 2.293 1.00 0.00 C ATOM 0 H THR A 82 -17.013 -5.082 -0.223 1.00 0.00 H new ATOM 0 HA THR A 82 -18.122 -2.329 -0.398 1.00 0.00 H new ATOM 0 HB THR A 82 -17.404 -3.940 2.032 1.00 0.00 H new ATOM 0 HG1 THR A 82 -19.624 -3.278 2.583 1.00 0.00 H new ATOM 0 HG21 THR A 82 -17.943 -1.893 3.331 1.00 0.00 H new ATOM 0 HG22 THR A 82 -16.543 -1.646 2.260 1.00 0.00 H new ATOM 0 HG23 THR A 82 -18.136 -0.991 1.809 1.00 0.00 H new ATOM 1357 N ARG A 83 -15.179 -2.804 0.829 1.00 0.00 N ATOM 1358 CA ARG A 83 -13.792 -2.351 0.796 1.00 0.00 C ATOM 1359 C ARG A 83 -13.087 -2.771 2.095 1.00 0.00 C ATOM 1360 O ARG A 83 -12.287 -2.028 2.658 1.00 0.00 O ATOM 1361 CB ARG A 83 -13.677 -0.835 0.517 1.00 0.00 C ATOM 1362 CG ARG A 83 -12.536 -0.571 -0.476 1.00 0.00 C ATOM 1363 CD ARG A 83 -12.239 0.922 -0.649 1.00 0.00 C ATOM 1364 NE ARG A 83 -11.097 1.122 -1.557 1.00 0.00 N ATOM 1365 CZ ARG A 83 -10.400 2.263 -1.677 1.00 0.00 C ATOM 1366 NH1 ARG A 83 -10.802 3.369 -1.043 1.00 0.00 N ATOM 1367 NH2 ARG A 83 -9.292 2.296 -2.427 1.00 0.00 N ATOM 0 H ARG A 83 -15.427 -3.245 1.715 1.00 0.00 H new ATOM 0 HA ARG A 83 -13.285 -2.834 -0.040 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -14.617 -0.459 0.113 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -13.492 -0.298 1.448 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -11.635 -1.079 -0.132 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -12.795 -1.001 -1.444 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -13.119 1.430 -1.045 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -12.022 1.370 0.321 1.00 0.00 H new ATOM 0 HE ARG A 83 -10.814 0.334 -2.139 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -11.642 3.349 -0.465 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -10.269 4.233 -1.138 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -8.977 1.454 -2.908 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -8.763 3.163 -2.518 1.00 0.00 H new ATOM 1381 N GLY A 84 -13.392 -3.981 2.580 1.00 0.00 N ATOM 1382 CA GLY A 84 -12.629 -4.596 3.657 1.00 0.00 C ATOM 1383 C GLY A 84 -11.199 -4.831 3.171 1.00 0.00 C ATOM 1384 O GLY A 84 -10.965 -4.744 1.971 1.00 0.00 O ATOM 0 H GLY A 84 -14.166 -4.550 2.238 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -12.628 -3.951 4.536 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -13.087 -5.539 3.954 1.00 0.00 H new ATOM 1388 N ARG A 85 -10.261 -5.128 4.076 1.00 0.00 N ATOM 1389 CA ARG A 85 -8.836 -5.264 3.776 1.00 0.00 C ATOM 1390 C ARG A 85 -8.310 -6.551 4.413 1.00 0.00 C ATOM 1391 O ARG A 85 -8.414 -6.704 5.628 1.00 0.00 O ATOM 1392 CB ARG A 85 -8.035 -4.039 4.276 1.00 0.00 C ATOM 1393 CG ARG A 85 -8.832 -2.978 5.054 1.00 0.00 C ATOM 1394 CD ARG A 85 -9.244 -3.443 6.462 1.00 0.00 C ATOM 1395 NE ARG A 85 -10.590 -2.967 6.818 1.00 0.00 N ATOM 1396 CZ ARG A 85 -10.908 -1.695 7.100 1.00 0.00 C ATOM 1397 NH1 ARG A 85 -9.964 -0.748 7.112 1.00 0.00 N ATOM 1398 NH2 ARG A 85 -12.179 -1.377 7.372 1.00 0.00 N ATOM 0 H ARG A 85 -10.479 -5.284 5.060 1.00 0.00 H new ATOM 0 HA ARG A 85 -8.707 -5.314 2.695 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -7.226 -4.396 4.914 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -7.573 -3.557 3.415 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -8.232 -2.072 5.138 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -9.726 -2.717 4.488 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -9.219 -4.532 6.508 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -8.523 -3.076 7.192 1.00 0.00 H new ATOM 0 HE ARG A 85 -11.339 -3.658 6.853 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -8.995 -0.991 6.906 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -10.213 0.217 7.327 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -12.899 -2.100 7.364 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -12.428 -0.412 7.587 1.00 0.00 H new ATOM 1412 N LYS A 86 -7.761 -7.468 3.609 1.00 0.00 N ATOM 1413 CA LYS A 86 -7.224 -8.746 4.054 1.00 0.00 C ATOM 1414 C LYS A 86 -5.709 -8.810 3.880 1.00 0.00 C ATOM 1415 O LYS A 86 -5.149 -8.379 2.870 1.00 0.00 O ATOM 1416 CB LYS A 86 -7.909 -9.908 3.327 1.00 0.00 C ATOM 1417 CG LYS A 86 -9.227 -10.327 3.995 1.00 0.00 C ATOM 1418 CD LYS A 86 -9.011 -10.920 5.403 1.00 0.00 C ATOM 1419 CE LYS A 86 -9.226 -9.909 6.547 1.00 0.00 C ATOM 1420 NZ LYS A 86 -10.403 -10.264 7.359 1.00 0.00 N ATOM 0 H LYS A 86 -7.679 -7.331 2.602 1.00 0.00 H new ATOM 0 HA LYS A 86 -7.435 -8.838 5.119 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -8.105 -9.621 2.294 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -7.233 -10.763 3.298 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -9.886 -9.462 4.065 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -9.731 -11.062 3.368 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -9.692 -11.760 5.541 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -7.998 -11.317 5.468 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -8.340 -9.879 7.181 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -9.355 -8.909 6.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -10.523 -9.566 8.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -11.251 -10.269 6.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -10.267 -11.208 7.773 1.00 0.00 H new ATOM 1434 N LEU A 87 -5.065 -9.367 4.909 1.00 0.00 N ATOM 1435 CA LEU A 87 -3.631 -9.401 5.092 1.00 0.00 C ATOM 1436 C LEU A 87 -3.047 -10.530 4.234 1.00 0.00 C ATOM 1437 O LEU A 87 -3.012 -11.681 4.656 1.00 0.00 O ATOM 1438 CB LEU A 87 -3.404 -9.603 6.604 1.00 0.00 C ATOM 1439 CG LEU A 87 -2.037 -9.182 7.158 1.00 0.00 C ATOM 1440 CD1 LEU A 87 -2.085 -9.278 8.690 1.00 0.00 C ATOM 1441 CD2 LEU A 87 -0.891 -10.067 6.655 1.00 0.00 C ATOM 0 H LEU A 87 -5.565 -9.827 5.670 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.129 -8.488 4.773 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.174 -9.049 7.141 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.553 -10.658 6.832 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.843 -8.166 6.815 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.121 -8.982 9.103 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.862 -8.616 9.072 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.306 -10.304 8.984 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.050 -9.720 7.081 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.068 -11.099 6.958 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.839 -10.012 5.568 1.00 0.00 H new ATOM 1453 N LEU A 88 -2.541 -10.176 3.050 1.00 0.00 N ATOM 1454 CA LEU A 88 -1.732 -11.037 2.184 1.00 0.00 C ATOM 1455 C LEU A 88 -0.290 -10.522 2.119 1.00 0.00 C ATOM 1456 O LEU A 88 0.514 -10.997 1.315 1.00 0.00 O ATOM 1457 CB LEU A 88 -2.353 -11.092 0.780 1.00 0.00 C ATOM 1458 CG LEU A 88 -3.455 -12.148 0.634 1.00 0.00 C ATOM 1459 CD1 LEU A 88 -4.169 -11.903 -0.698 1.00 0.00 C ATOM 1460 CD2 LEU A 88 -2.879 -13.572 0.624 1.00 0.00 C ATOM 0 H LEU A 88 -2.689 -9.248 2.654 1.00 0.00 H new ATOM 0 HA LEU A 88 -1.714 -12.045 2.598 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -2.766 -10.113 0.536 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.567 -11.297 0.053 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.135 -12.063 1.481 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -4.960 -12.642 -0.828 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.603 -10.903 -0.700 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.453 -11.990 -1.516 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.691 -14.292 0.519 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -2.188 -13.679 -0.212 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -2.349 -13.757 1.558 1.00 0.00 H new ATOM 1472 N ARG A 89 0.037 -9.508 2.925 1.00 0.00 N ATOM 1473 CA ARG A 89 1.356 -8.916 2.898 1.00 0.00 C ATOM 1474 C ARG A 89 2.390 -9.908 3.397 1.00 0.00 C ATOM 1475 O ARG A 89 2.043 -10.924 3.996 1.00 0.00 O ATOM 1476 CB ARG A 89 1.417 -7.576 3.640 1.00 0.00 C ATOM 1477 CG ARG A 89 0.667 -7.486 4.964 1.00 0.00 C ATOM 1478 CD ARG A 89 0.824 -6.091 5.583 1.00 0.00 C ATOM 1479 NE ARG A 89 0.305 -4.997 4.730 1.00 0.00 N ATOM 1480 CZ ARG A 89 0.963 -4.344 3.758 1.00 0.00 C ATOM 1481 NH1 ARG A 89 2.245 -4.612 3.492 1.00 0.00 N ATOM 1482 NH2 ARG A 89 0.330 -3.401 3.056 1.00 0.00 N ATOM 0 H ARG A 89 -0.601 -9.087 3.601 1.00 0.00 H new ATOM 0 HA ARG A 89 1.594 -8.680 1.861 1.00 0.00 H new ATOM 0 HB2 ARG A 89 2.464 -7.339 3.827 1.00 0.00 H new ATOM 0 HB3 ARG A 89 1.029 -6.803 2.977 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -0.389 -7.702 4.804 1.00 0.00 H new ATOM 0 HG3 ARG A 89 1.046 -8.240 5.654 1.00 0.00 H new ATOM 0 HD2 ARG A 89 0.306 -6.069 6.542 1.00 0.00 H new ATOM 0 HD3 ARG A 89 1.879 -5.911 5.787 1.00 0.00 H new ATOM 0 HE ARG A 89 -0.658 -4.708 4.899 1.00 0.00 H new ATOM 0 HH11 ARG A 89 2.740 -5.323 4.031 1.00 0.00 H new ATOM 0 HH12 ARG A 89 2.728 -4.106 2.750 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -0.645 -3.182 3.260 1.00 0.00 H new ATOM 0 HH22 ARG A 89 0.822 -2.900 2.316 1.00 0.00 H new ATOM 1496 N PHE A 90 3.665 -9.570 3.192 1.00 0.00 N ATOM 1497 CA PHE A 90 4.771 -10.314 3.752 1.00 0.00 C ATOM 1498 C PHE A 90 4.844 -11.709 3.133 1.00 0.00 C ATOM 1499 O PHE A 90 4.382 -12.693 3.707 1.00 0.00 O ATOM 1500 CB PHE A 90 4.658 -10.328 5.280 1.00 0.00 C ATOM 1501 CG PHE A 90 5.529 -9.295 5.934 1.00 0.00 C ATOM 1502 CD1 PHE A 90 6.908 -9.540 6.017 1.00 0.00 C ATOM 1503 CD2 PHE A 90 4.993 -8.056 6.328 1.00 0.00 C ATOM 1504 CE1 PHE A 90 7.775 -8.511 6.399 1.00 0.00 C ATOM 1505 CE2 PHE A 90 5.856 -7.082 6.862 1.00 0.00 C ATOM 1506 CZ PHE A 90 7.255 -7.267 6.788 1.00 0.00 C ATOM 0 H PHE A 90 3.949 -8.768 2.629 1.00 0.00 H new ATOM 0 HA PHE A 90 5.715 -9.827 3.508 1.00 0.00 H new ATOM 0 HB2 PHE A 90 3.620 -10.156 5.565 1.00 0.00 H new ATOM 0 HB3 PHE A 90 4.931 -11.316 5.652 1.00 0.00 H new ATOM 0 HD1 PHE A 90 7.299 -10.520 5.787 1.00 0.00 H new ATOM 0 HD2 PHE A 90 3.937 -7.856 6.222 1.00 0.00 H new ATOM 0 HE1 PHE A 90 8.843 -8.674 6.395 1.00 0.00 H new ATOM 0 HE2 PHE A 90 5.451 -6.196 7.327 1.00 0.00 H new ATOM 0 HZ PHE A 90 7.922 -6.453 7.030 1.00 0.00 H new ATOM 1516 N ASN A 91 5.427 -11.791 1.939 1.00 0.00 N ATOM 1517 CA ASN A 91 5.547 -13.017 1.173 1.00 0.00 C ATOM 1518 C ASN A 91 6.848 -12.981 0.375 1.00 0.00 C ATOM 1519 O ASN A 91 7.510 -11.944 0.286 1.00 0.00 O ATOM 1520 CB ASN A 91 4.312 -13.175 0.268 1.00 0.00 C ATOM 1521 CG ASN A 91 3.423 -14.344 0.688 1.00 0.00 C ATOM 1522 OD1 ASN A 91 3.129 -15.218 -0.119 1.00 0.00 O ATOM 1523 ND2 ASN A 91 2.997 -14.386 1.946 1.00 0.00 N ATOM 0 H ASN A 91 5.837 -10.983 1.471 1.00 0.00 H new ATOM 0 HA ASN A 91 5.584 -13.884 1.832 1.00 0.00 H new ATOM 0 HB2 ASN A 91 3.730 -12.254 0.290 1.00 0.00 H new ATOM 0 HB3 ASN A 91 4.637 -13.322 -0.762 1.00 0.00 H new ATOM 0 HD21 ASN A 91 2.410 -15.159 2.260 1.00 0.00 H new ATOM 0 HD22 ASN A 91 3.257 -13.645 2.597 1.00 0.00 H new ATOM 1530 N GLY A 92 7.226 -14.133 -0.183 1.00 0.00 N ATOM 1531 CA GLY A 92 8.521 -14.338 -0.807 1.00 0.00 C ATOM 1532 C GLY A 92 9.454 -14.984 0.220 1.00 0.00 C ATOM 1533 O GLY A 92 9.138 -16.081 0.678 1.00 0.00 O ATOM 0 H GLY A 92 6.627 -14.958 -0.211 1.00 0.00 H new ATOM 0 HA2 GLY A 92 8.422 -14.977 -1.685 1.00 0.00 H new ATOM 0 HA3 GLY A 92 8.932 -13.388 -1.149 1.00 0.00 H new ATOM 1537 N PRO A 93 10.565 -14.347 0.629 1.00 0.00 N ATOM 1538 CA PRO A 93 11.055 -13.054 0.167 1.00 0.00 C ATOM 1539 C PRO A 93 11.490 -13.140 -1.298 1.00 0.00 C ATOM 1540 O PRO A 93 11.615 -14.234 -1.845 1.00 0.00 O ATOM 1541 CB PRO A 93 12.239 -12.727 1.081 1.00 0.00 C ATOM 1542 CG PRO A 93 12.779 -14.108 1.455 1.00 0.00 C ATOM 1543 CD PRO A 93 11.505 -14.944 1.563 1.00 0.00 C ATOM 0 HA PRO A 93 10.289 -12.280 0.213 1.00 0.00 H new ATOM 0 HB2 PRO A 93 12.990 -12.126 0.569 1.00 0.00 H new ATOM 0 HB3 PRO A 93 11.926 -12.165 1.961 1.00 0.00 H new ATOM 0 HG2 PRO A 93 13.457 -14.498 0.696 1.00 0.00 H new ATOM 0 HG3 PRO A 93 13.331 -14.087 2.395 1.00 0.00 H new ATOM 0 HD2 PRO A 93 11.698 -15.987 1.312 1.00 0.00 H new ATOM 0 HD3 PRO A 93 11.111 -14.929 2.579 1.00 0.00 H new ATOM 1551 N VAL A 94 11.691 -11.987 -1.939 1.00 0.00 N ATOM 1552 CA VAL A 94 12.081 -11.883 -3.338 1.00 0.00 C ATOM 1553 C VAL A 94 13.462 -11.210 -3.383 1.00 0.00 C ATOM 1554 O VAL A 94 13.724 -10.298 -2.594 1.00 0.00 O ATOM 1555 CB VAL A 94 10.987 -11.104 -4.099 1.00 0.00 C ATOM 1556 CG1 VAL A 94 11.273 -10.961 -5.597 1.00 0.00 C ATOM 1557 CG2 VAL A 94 9.632 -11.813 -3.950 1.00 0.00 C ATOM 0 H VAL A 94 11.583 -11.080 -1.485 1.00 0.00 H new ATOM 0 HA VAL A 94 12.168 -12.853 -3.827 1.00 0.00 H new ATOM 0 HB VAL A 94 10.972 -10.108 -3.656 1.00 0.00 H new ATOM 0 HG11 VAL A 94 10.465 -10.404 -6.070 1.00 0.00 H new ATOM 0 HG12 VAL A 94 12.213 -10.428 -5.739 1.00 0.00 H new ATOM 0 HG13 VAL A 94 11.345 -11.950 -6.050 1.00 0.00 H new ATOM 0 HG21 VAL A 94 8.868 -11.255 -4.491 1.00 0.00 H new ATOM 0 HG22 VAL A 94 9.702 -12.821 -4.358 1.00 0.00 H new ATOM 0 HG23 VAL A 94 9.364 -11.867 -2.895 1.00 0.00 H new ATOM 1567 N PRO A 95 14.387 -11.662 -4.246 1.00 0.00 N ATOM 1568 CA PRO A 95 15.687 -11.025 -4.387 1.00 0.00 C ATOM 1569 C PRO A 95 15.535 -9.649 -5.050 1.00 0.00 C ATOM 1570 O PRO A 95 14.527 -9.387 -5.706 1.00 0.00 O ATOM 1571 CB PRO A 95 16.517 -11.989 -5.244 1.00 0.00 C ATOM 1572 CG PRO A 95 15.463 -12.699 -6.092 1.00 0.00 C ATOM 1573 CD PRO A 95 14.273 -12.804 -5.141 1.00 0.00 C ATOM 0 HA PRO A 95 16.172 -10.843 -3.428 1.00 0.00 H new ATOM 0 HB2 PRO A 95 17.240 -11.457 -5.863 1.00 0.00 H new ATOM 0 HB3 PRO A 95 17.079 -12.692 -4.629 1.00 0.00 H new ATOM 0 HG2 PRO A 95 15.215 -12.130 -6.988 1.00 0.00 H new ATOM 0 HG3 PRO A 95 15.804 -13.680 -6.422 1.00 0.00 H new ATOM 0 HD2 PRO A 95 13.331 -12.781 -5.688 1.00 0.00 H new ATOM 0 HD3 PRO A 95 14.296 -13.742 -4.586 1.00 0.00 H new ATOM 1581 N PRO A 96 16.519 -8.752 -4.893 1.00 0.00 N ATOM 1582 CA PRO A 96 16.493 -7.448 -5.534 1.00 0.00 C ATOM 1583 C PRO A 96 16.618 -7.578 -7.057 1.00 0.00 C ATOM 1584 O PRO A 96 17.167 -8.564 -7.550 1.00 0.00 O ATOM 1585 CB PRO A 96 17.671 -6.677 -4.927 1.00 0.00 C ATOM 1586 CG PRO A 96 18.654 -7.785 -4.545 1.00 0.00 C ATOM 1587 CD PRO A 96 17.733 -8.927 -4.115 1.00 0.00 C ATOM 0 HA PRO A 96 15.550 -6.928 -5.364 1.00 0.00 H new ATOM 0 HB2 PRO A 96 18.108 -5.980 -5.642 1.00 0.00 H new ATOM 0 HB3 PRO A 96 17.365 -6.093 -4.059 1.00 0.00 H new ATOM 0 HG2 PRO A 96 19.287 -8.071 -5.385 1.00 0.00 H new ATOM 0 HG3 PRO A 96 19.317 -7.475 -3.737 1.00 0.00 H new ATOM 0 HD2 PRO A 96 18.190 -9.897 -4.312 1.00 0.00 H new ATOM 0 HD3 PRO A 96 17.525 -8.884 -3.046 1.00 0.00 H new ATOM 1595 N PRO A 97 16.124 -6.584 -7.813 1.00 0.00 N ATOM 1596 CA PRO A 97 16.228 -6.561 -9.263 1.00 0.00 C ATOM 1597 C PRO A 97 17.665 -6.270 -9.712 1.00 0.00 C ATOM 1598 O PRO A 97 17.912 -6.421 -10.930 1.00 0.00 O ATOM 1599 CB PRO A 97 15.264 -5.456 -9.705 1.00 0.00 C ATOM 1600 CG PRO A 97 15.322 -4.467 -8.541 1.00 0.00 C ATOM 1601 CD PRO A 97 15.453 -5.388 -7.326 1.00 0.00 C ATOM 1602 OXT PRO A 97 18.485 -5.876 -8.852 1.00 0.00 O ATOM 0 HA PRO A 97 15.974 -7.522 -9.710 1.00 0.00 H new ATOM 0 HB2 PRO A 97 15.579 -4.996 -10.642 1.00 0.00 H new ATOM 0 HB3 PRO A 97 14.255 -5.838 -9.861 1.00 0.00 H new ATOM 0 HG2 PRO A 97 16.170 -3.788 -8.628 1.00 0.00 H new ATOM 0 HG3 PRO A 97 14.424 -3.851 -8.488 1.00 0.00 H new ATOM 0 HD2 PRO A 97 16.029 -4.911 -6.533 1.00 0.00 H new ATOM 0 HD3 PRO A 97 14.475 -5.629 -6.909 1.00 0.00 H new