USER MOD reduce.3.24.130724 H: found=0, std=0, add=791, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 791 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 Single : A 1 GLY N :NH3+ -108:sc= 0.109 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 155:sc= 1.3 USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-2.6!) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 17 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0685) USER MOD Single : A 24 ASN : amide:sc= 1.41 K(o=1.4,f=-4.4!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.0498 K(o=-0.05,f=-1.1) USER MOD Single : A 29 TYR OH : rot -113:sc= 1.27 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0.209 X(o=0.21,f=-0.02) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot 16:sc= -0.002 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 160:sc= 1 (180deg=0.548) USER MOD Single : A 45 THR OG1 : rot -56:sc= 0.00773 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc=-0.00309 K(o=-0.0031,f=-0.85) USER MOD Single : A 56 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.00392) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0.241 K(o=0.24,f=-0.36) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot -55:sc= 1.16 USER MOD Single : A 67 SER OG : rot -170:sc= 0.959 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot -160:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 169:sc= 0.824 (180deg=0.747) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.0808 USER MOD Single : A 85 LYS NZ :NH3+ -175:sc= 0.646 (180deg=0.626) USER MOD Single : A 90 ASN : amide:sc= -0.0619 X(o=-0.062,f=-0.28) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.069 -16.968 -2.091 1.00 0.00 N ATOM 2 CA GLY A 1 9.718 -16.605 -3.477 1.00 0.00 C ATOM 3 C GLY A 1 9.411 -15.114 -3.600 1.00 0.00 C ATOM 4 O GLY A 1 9.524 -14.376 -2.622 1.00 0.00 O ATOM 0 H1 GLY A 1 11.087 -17.172 -2.033 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.837 -16.178 -1.456 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.530 -17.811 -1.806 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.541 -16.865 -4.143 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.853 -17.184 -3.799 1.00 0.00 H new ATOM 10 N GLU A 2 9.015 -14.675 -4.799 1.00 0.00 N ATOM 11 CA GLU A 2 8.548 -13.317 -5.020 1.00 0.00 C ATOM 12 C GLU A 2 7.021 -13.320 -4.994 1.00 0.00 C ATOM 13 O GLU A 2 6.406 -14.216 -5.566 1.00 0.00 O ATOM 14 CB GLU A 2 9.071 -12.780 -6.366 1.00 0.00 C ATOM 15 CG GLU A 2 8.727 -11.291 -6.553 1.00 0.00 C ATOM 16 CD GLU A 2 9.260 -10.732 -7.871 1.00 0.00 C ATOM 17 OE1 GLU A 2 10.497 -10.575 -7.969 1.00 0.00 O ATOM 18 OE2 GLU A 2 8.420 -10.454 -8.753 1.00 0.00 O ATOM 0 H GLU A 2 9.012 -15.256 -5.638 1.00 0.00 H new ATOM 0 HA GLU A 2 8.926 -12.662 -4.235 1.00 0.00 H new ATOM 0 HB2 GLU A 2 10.152 -12.914 -6.417 1.00 0.00 H new ATOM 0 HB3 GLU A 2 8.639 -13.359 -7.182 1.00 0.00 H new ATOM 0 HG2 GLU A 2 7.645 -11.164 -6.518 1.00 0.00 H new ATOM 0 HG3 GLU A 2 9.142 -10.718 -5.724 1.00 0.00 H new ATOM 25 N TRP A 3 6.467 -12.281 -4.357 1.00 0.00 N ATOM 26 CA TRP A 3 5.067 -11.827 -4.350 1.00 0.00 C ATOM 27 C TRP A 3 4.320 -12.581 -3.245 1.00 0.00 C ATOM 28 O TRP A 3 4.195 -13.800 -3.321 1.00 0.00 O ATOM 29 CB TRP A 3 4.376 -12.025 -5.718 1.00 0.00 C ATOM 30 CG TRP A 3 3.836 -10.886 -6.545 1.00 0.00 C ATOM 31 CD1 TRP A 3 3.976 -10.805 -7.889 1.00 0.00 C ATOM 32 CD2 TRP A 3 2.943 -9.783 -6.189 1.00 0.00 C ATOM 33 NE1 TRP A 3 3.247 -9.747 -8.383 1.00 0.00 N ATOM 34 CE2 TRP A 3 2.582 -9.081 -7.379 1.00 0.00 C ATOM 35 CE3 TRP A 3 2.386 -9.311 -4.988 1.00 0.00 C ATOM 36 CZ2 TRP A 3 1.722 -7.972 -7.374 1.00 0.00 C ATOM 37 CZ3 TRP A 3 1.580 -8.157 -4.959 1.00 0.00 C ATOM 38 CH2 TRP A 3 1.226 -7.500 -6.150 1.00 0.00 C ATOM 0 H TRP A 3 7.045 -11.675 -3.774 1.00 0.00 H new ATOM 0 HA TRP A 3 5.048 -10.755 -4.155 1.00 0.00 H new ATOM 0 HB2 TRP A 3 5.090 -12.553 -6.350 1.00 0.00 H new ATOM 0 HB3 TRP A 3 3.540 -12.703 -5.546 1.00 0.00 H new ATOM 0 HD1 TRP A 3 4.574 -11.475 -8.488 1.00 0.00 H new ATOM 0 HE1 TRP A 3 3.205 -9.489 -9.369 1.00 0.00 H new ATOM 0 HE3 TRP A 3 2.580 -9.844 -4.069 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 1.446 -7.489 -8.300 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 1.230 -7.773 -4.012 1.00 0.00 H new ATOM 0 HH2 TRP A 3 0.576 -6.638 -6.123 1.00 0.00 H new ATOM 49 N GLU A 4 3.832 -11.888 -2.209 1.00 0.00 N ATOM 50 CA GLU A 4 3.149 -12.554 -1.104 1.00 0.00 C ATOM 51 C GLU A 4 2.298 -11.558 -0.316 1.00 0.00 C ATOM 52 O GLU A 4 2.527 -10.347 -0.391 1.00 0.00 O ATOM 53 CB GLU A 4 4.190 -13.262 -0.212 1.00 0.00 C ATOM 54 CG GLU A 4 3.624 -14.176 0.887 1.00 0.00 C ATOM 55 CD GLU A 4 2.653 -15.221 0.348 1.00 0.00 C ATOM 56 OE1 GLU A 4 1.447 -14.888 0.295 1.00 0.00 O ATOM 57 OE2 GLU A 4 3.129 -16.321 -0.003 1.00 0.00 O ATOM 0 H GLU A 4 3.899 -10.874 -2.117 1.00 0.00 H new ATOM 0 HA GLU A 4 2.467 -13.309 -1.496 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.843 -13.857 -0.851 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.812 -12.502 0.260 1.00 0.00 H new ATOM 0 HG2 GLU A 4 4.447 -14.680 1.393 1.00 0.00 H new ATOM 0 HG3 GLU A 4 3.116 -13.566 1.634 1.00 0.00 H new ATOM 64 N ILE A 5 1.310 -12.086 0.413 1.00 0.00 N ATOM 65 CA ILE A 5 0.497 -11.351 1.370 1.00 0.00 C ATOM 66 C ILE A 5 1.394 -10.879 2.521 1.00 0.00 C ATOM 67 O ILE A 5 2.359 -11.554 2.875 1.00 0.00 O ATOM 68 CB ILE A 5 -0.672 -12.226 1.874 1.00 0.00 C ATOM 69 CG1 ILE A 5 -1.592 -12.716 0.738 1.00 0.00 C ATOM 70 CG2 ILE A 5 -1.512 -11.588 2.991 1.00 0.00 C ATOM 71 CD1 ILE A 5 -2.538 -11.639 0.190 1.00 0.00 C ATOM 0 H ILE A 5 1.050 -13.070 0.346 1.00 0.00 H new ATOM 0 HA ILE A 5 0.055 -10.478 0.891 1.00 0.00 H new ATOM 0 HB ILE A 5 -0.169 -13.089 2.311 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.975 -13.092 -0.078 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -2.185 -13.555 1.102 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.309 -12.272 3.283 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -0.876 -11.383 3.852 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -1.947 -10.656 2.631 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -3.151 -12.063 -0.605 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -3.183 -11.279 0.992 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.953 -10.809 -0.206 1.00 0.00 H new ATOM 83 N ILE A 6 1.069 -9.732 3.112 1.00 0.00 N ATOM 84 CA ILE A 6 1.673 -9.218 4.326 1.00 0.00 C ATOM 85 C ILE A 6 0.618 -9.197 5.432 1.00 0.00 C ATOM 86 O ILE A 6 -0.578 -9.091 5.163 1.00 0.00 O ATOM 87 CB ILE A 6 2.289 -7.831 4.080 1.00 0.00 C ATOM 88 CG1 ILE A 6 1.261 -6.779 3.627 1.00 0.00 C ATOM 89 CG2 ILE A 6 3.438 -7.948 3.072 1.00 0.00 C ATOM 90 CD1 ILE A 6 1.855 -5.371 3.511 1.00 0.00 C ATOM 0 H ILE A 6 0.348 -9.115 2.739 1.00 0.00 H new ATOM 0 HA ILE A 6 2.489 -9.867 4.642 1.00 0.00 H new ATOM 0 HB ILE A 6 2.674 -7.475 5.036 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.849 -7.074 2.662 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.433 -6.760 4.335 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.873 -6.963 2.900 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.202 -8.618 3.467 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.058 -8.346 2.131 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.081 -4.675 3.188 1.00 0.00 H new ATOM 0 HD12 ILE A 6 2.242 -5.058 4.481 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.665 -5.377 2.782 1.00 0.00 H new ATOM 102 N ASP A 7 1.062 -9.318 6.681 1.00 0.00 N ATOM 103 CA ASP A 7 0.180 -9.414 7.830 1.00 0.00 C ATOM 104 C ASP A 7 -0.264 -8.020 8.239 1.00 0.00 C ATOM 105 O ASP A 7 0.571 -7.156 8.497 1.00 0.00 O ATOM 106 CB ASP A 7 0.902 -10.064 9.013 1.00 0.00 C ATOM 107 CG ASP A 7 1.369 -11.480 8.696 1.00 0.00 C ATOM 108 OD1 ASP A 7 2.508 -11.598 8.193 1.00 0.00 O ATOM 109 OD2 ASP A 7 0.577 -12.412 8.951 1.00 0.00 O ATOM 0 H ASP A 7 2.053 -9.352 6.921 1.00 0.00 H new ATOM 0 HA ASP A 7 -0.680 -10.025 7.556 1.00 0.00 H new ATOM 0 HB2 ASP A 7 1.761 -9.454 9.292 1.00 0.00 H new ATOM 0 HB3 ASP A 7 0.235 -10.088 9.875 1.00 0.00 H new ATOM 114 N ILE A 8 -1.570 -7.796 8.329 1.00 0.00 N ATOM 115 CA ILE A 8 -2.109 -6.622 8.964 1.00 0.00 C ATOM 116 C ILE A 8 -1.646 -6.611 10.428 1.00 0.00 C ATOM 117 O ILE A 8 -1.673 -7.637 11.103 1.00 0.00 O ATOM 118 CB ILE A 8 -3.632 -6.627 8.777 1.00 0.00 C ATOM 119 CG1 ILE A 8 -4.347 -7.839 9.407 1.00 0.00 C ATOM 120 CG2 ILE A 8 -3.951 -6.496 7.280 1.00 0.00 C ATOM 121 CD1 ILE A 8 -5.868 -7.766 9.240 1.00 0.00 C ATOM 0 H ILE A 8 -2.278 -8.431 7.960 1.00 0.00 H new ATOM 0 HA ILE A 8 -1.748 -5.695 8.518 1.00 0.00 H new ATOM 0 HB ILE A 8 -4.027 -5.770 9.323 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -3.977 -8.756 8.948 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -4.102 -7.892 10.468 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -5.032 -6.499 7.137 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.537 -5.562 6.900 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.511 -7.334 6.740 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -6.327 -8.641 9.700 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.244 -6.864 9.722 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.117 -7.741 8.179 1.00 0.00 H new ATOM 133 N GLY A 9 -1.153 -5.465 10.891 1.00 0.00 N ATOM 134 CA GLY A 9 -0.471 -5.300 12.162 1.00 0.00 C ATOM 135 C GLY A 9 0.122 -3.891 12.167 1.00 0.00 C ATOM 136 O GLY A 9 -0.103 -3.163 11.200 1.00 0.00 O ATOM 0 H GLY A 9 -1.223 -4.593 10.366 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -1.165 -5.430 12.992 1.00 0.00 H new ATOM 0 HA3 GLY A 9 0.312 -6.049 12.280 1.00 0.00 H new ATOM 140 N PRO A 10 0.879 -3.492 13.201 1.00 0.00 N ATOM 141 CA PRO A 10 1.309 -2.113 13.405 1.00 0.00 C ATOM 142 C PRO A 10 1.988 -1.503 12.174 1.00 0.00 C ATOM 143 O PRO A 10 1.630 -0.407 11.753 1.00 0.00 O ATOM 144 CB PRO A 10 2.212 -2.127 14.646 1.00 0.00 C ATOM 145 CG PRO A 10 2.572 -3.601 14.843 1.00 0.00 C ATOM 146 CD PRO A 10 1.358 -4.337 14.279 1.00 0.00 C ATOM 0 HA PRO A 10 0.448 -1.463 13.562 1.00 0.00 H new ATOM 0 HB2 PRO A 10 3.103 -1.518 14.495 1.00 0.00 H new ATOM 0 HB3 PRO A 10 1.695 -1.725 15.517 1.00 0.00 H new ATOM 0 HG2 PRO A 10 3.486 -3.866 14.312 1.00 0.00 H new ATOM 0 HG3 PRO A 10 2.734 -3.839 15.894 1.00 0.00 H new ATOM 0 HD2 PRO A 10 1.630 -5.327 13.914 1.00 0.00 H new ATOM 0 HD3 PRO A 10 0.592 -4.478 15.041 1.00 0.00 H new ATOM 154 N PHE A 11 2.954 -2.210 11.582 1.00 0.00 N ATOM 155 CA PHE A 11 3.656 -1.765 10.384 1.00 0.00 C ATOM 156 C PHE A 11 2.662 -1.430 9.260 1.00 0.00 C ATOM 157 O PHE A 11 2.630 -0.323 8.722 1.00 0.00 O ATOM 158 CB PHE A 11 4.645 -2.862 9.963 1.00 0.00 C ATOM 159 CG PHE A 11 5.581 -2.493 8.829 1.00 0.00 C ATOM 160 CD1 PHE A 11 5.218 -2.769 7.497 1.00 0.00 C ATOM 161 CD2 PHE A 11 6.873 -2.015 9.116 1.00 0.00 C ATOM 162 CE1 PHE A 11 6.155 -2.595 6.462 1.00 0.00 C ATOM 163 CE2 PHE A 11 7.810 -1.843 8.082 1.00 0.00 C ATOM 164 CZ PHE A 11 7.452 -2.140 6.755 1.00 0.00 C ATOM 0 H PHE A 11 3.271 -3.116 11.927 1.00 0.00 H new ATOM 0 HA PHE A 11 4.209 -0.849 10.594 1.00 0.00 H new ATOM 0 HB2 PHE A 11 5.244 -3.140 10.830 1.00 0.00 H new ATOM 0 HB3 PHE A 11 4.078 -3.746 9.671 1.00 0.00 H new ATOM 0 HD1 PHE A 11 4.220 -3.114 7.270 1.00 0.00 H new ATOM 0 HD2 PHE A 11 7.146 -1.779 10.134 1.00 0.00 H new ATOM 0 HE1 PHE A 11 5.877 -2.811 5.441 1.00 0.00 H new ATOM 0 HE2 PHE A 11 8.803 -1.483 8.307 1.00 0.00 H new ATOM 0 HZ PHE A 11 8.174 -2.018 5.961 1.00 0.00 H new ATOM 174 N THR A 12 1.823 -2.400 8.912 1.00 0.00 N ATOM 175 CA THR A 12 0.872 -2.308 7.821 1.00 0.00 C ATOM 176 C THR A 12 -0.177 -1.234 8.114 1.00 0.00 C ATOM 177 O THR A 12 -0.565 -0.472 7.232 1.00 0.00 O ATOM 178 CB THR A 12 0.276 -3.700 7.626 1.00 0.00 C ATOM 179 OG1 THR A 12 1.329 -4.636 7.769 1.00 0.00 O ATOM 180 CG2 THR A 12 -0.385 -3.867 6.258 1.00 0.00 C ATOM 0 H THR A 12 1.789 -3.296 9.398 1.00 0.00 H new ATOM 0 HA THR A 12 1.350 -1.997 6.892 1.00 0.00 H new ATOM 0 HB THR A 12 -0.506 -3.858 8.369 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.962 -5.501 8.048 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.792 -4.874 6.171 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.190 -3.140 6.152 1.00 0.00 H new ATOM 0 HG23 THR A 12 0.355 -3.706 5.474 1.00 0.00 H new ATOM 188 N GLN A 13 -0.615 -1.149 9.372 1.00 0.00 N ATOM 189 CA GLN A 13 -1.493 -0.102 9.840 1.00 0.00 C ATOM 190 C GLN A 13 -0.834 1.257 9.631 1.00 0.00 C ATOM 191 O GLN A 13 -1.481 2.152 9.104 1.00 0.00 O ATOM 192 CB GLN A 13 -1.838 -0.344 11.311 1.00 0.00 C ATOM 193 CG GLN A 13 -2.851 -1.483 11.463 1.00 0.00 C ATOM 194 CD GLN A 13 -3.054 -1.845 12.928 1.00 0.00 C ATOM 195 OE1 GLN A 13 -2.508 -2.832 13.411 1.00 0.00 O ATOM 196 NE2 GLN A 13 -3.837 -1.048 13.649 1.00 0.00 N ATOM 0 H GLN A 13 -0.360 -1.821 10.096 1.00 0.00 H new ATOM 0 HA GLN A 13 -2.422 -0.111 9.270 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.931 -0.585 11.865 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -2.245 0.569 11.747 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -3.803 -1.188 11.023 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -2.504 -2.358 10.914 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -4.275 -0.235 13.215 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -3.999 -1.249 14.636 1.00 0.00 H new ATOM 205 N ASN A 14 0.439 1.414 10.003 1.00 0.00 N ATOM 206 CA ASN A 14 1.177 2.651 9.779 1.00 0.00 C ATOM 207 C ASN A 14 1.183 3.013 8.295 1.00 0.00 C ATOM 208 O ASN A 14 0.900 4.152 7.939 1.00 0.00 O ATOM 209 CB ASN A 14 2.605 2.546 10.321 1.00 0.00 C ATOM 210 CG ASN A 14 3.377 3.847 10.108 1.00 0.00 C ATOM 211 OD1 ASN A 14 2.878 4.928 10.400 1.00 0.00 O ATOM 212 ND2 ASN A 14 4.602 3.759 9.597 1.00 0.00 N ATOM 0 H ASN A 14 0.983 0.686 10.467 1.00 0.00 H new ATOM 0 HA ASN A 14 0.672 3.449 10.323 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.576 2.308 11.384 1.00 0.00 H new ATOM 0 HB3 ASN A 14 3.125 1.727 9.825 1.00 0.00 H new ATOM 0 HD21 ASN A 14 5.151 4.604 9.439 1.00 0.00 H new ATOM 0 HD22 ASN A 14 4.993 2.846 9.363 1.00 0.00 H new ATOM 219 N LEU A 15 1.473 2.044 7.420 1.00 0.00 N ATOM 220 CA LEU A 15 1.395 2.272 5.976 1.00 0.00 C ATOM 221 C LEU A 15 -0.012 2.737 5.577 1.00 0.00 C ATOM 222 O LEU A 15 -0.163 3.703 4.829 1.00 0.00 O ATOM 223 CB LEU A 15 1.799 1.021 5.183 1.00 0.00 C ATOM 224 CG LEU A 15 3.262 0.582 5.371 1.00 0.00 C ATOM 225 CD1 LEU A 15 3.487 -0.698 4.559 1.00 0.00 C ATOM 226 CD2 LEU A 15 4.263 1.647 4.906 1.00 0.00 C ATOM 0 H LEU A 15 1.761 1.102 7.685 1.00 0.00 H new ATOM 0 HA LEU A 15 2.105 3.061 5.728 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.147 0.197 5.474 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.624 1.207 4.123 1.00 0.00 H new ATOM 0 HG LEU A 15 3.431 0.421 6.436 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.519 -1.028 4.678 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.814 -1.478 4.915 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.288 -0.500 3.506 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.279 1.284 5.062 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.110 1.853 3.847 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.113 2.562 5.479 1.00 0.00 H new ATOM 238 N GLY A 16 -1.046 2.068 6.088 1.00 0.00 N ATOM 239 CA GLY A 16 -2.435 2.445 5.847 1.00 0.00 C ATOM 240 C GLY A 16 -2.708 3.891 6.270 1.00 0.00 C ATOM 241 O GLY A 16 -3.229 4.693 5.496 1.00 0.00 O ATOM 0 H GLY A 16 -0.941 1.246 6.683 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -2.667 2.325 4.789 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -3.095 1.774 6.396 1.00 0.00 H new ATOM 245 N LYS A 17 -2.342 4.231 7.505 1.00 0.00 N ATOM 246 CA LYS A 17 -2.505 5.534 8.098 1.00 0.00 C ATOM 247 C LYS A 17 -1.794 6.565 7.235 1.00 0.00 C ATOM 248 O LYS A 17 -2.365 7.593 6.913 1.00 0.00 O ATOM 249 CB LYS A 17 -1.930 5.521 9.526 1.00 0.00 C ATOM 250 CG LYS A 17 -2.747 6.363 10.511 1.00 0.00 C ATOM 251 CD LYS A 17 -2.933 7.782 9.968 1.00 0.00 C ATOM 252 CE LYS A 17 -3.537 8.739 11.001 1.00 0.00 C ATOM 253 NZ LYS A 17 -2.598 9.033 12.099 1.00 0.00 N ATOM 0 H LYS A 17 -1.904 3.564 8.140 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.562 5.794 8.155 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -1.888 4.493 9.885 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -0.906 5.893 9.502 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.719 5.899 10.677 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.242 6.399 11.476 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -1.969 8.170 9.640 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.578 7.748 9.090 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.822 9.669 10.510 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.448 8.302 11.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -2.976 9.808 12.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -2.476 8.185 12.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -1.678 9.314 11.703 1.00 0.00 H new ATOM 267 N PHE A 18 -0.551 6.281 6.858 1.00 0.00 N ATOM 268 CA PHE A 18 0.251 7.101 5.962 1.00 0.00 C ATOM 269 C PHE A 18 -0.484 7.337 4.642 1.00 0.00 C ATOM 270 O PHE A 18 -0.591 8.474 4.188 1.00 0.00 O ATOM 271 CB PHE A 18 1.621 6.433 5.772 1.00 0.00 C ATOM 272 CG PHE A 18 2.504 7.004 4.679 1.00 0.00 C ATOM 273 CD1 PHE A 18 3.358 8.086 4.957 1.00 0.00 C ATOM 274 CD2 PHE A 18 2.577 6.359 3.428 1.00 0.00 C ATOM 275 CE1 PHE A 18 4.318 8.486 4.010 1.00 0.00 C ATOM 276 CE2 PHE A 18 3.534 6.763 2.481 1.00 0.00 C ATOM 277 CZ PHE A 18 4.425 7.807 2.785 1.00 0.00 C ATOM 0 H PHE A 18 -0.060 5.446 7.179 1.00 0.00 H new ATOM 0 HA PHE A 18 0.414 8.087 6.396 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.164 6.492 6.715 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.459 5.375 5.563 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.277 8.610 5.898 1.00 0.00 H new ATOM 0 HD2 PHE A 18 1.896 5.553 3.197 1.00 0.00 H new ATOM 0 HE1 PHE A 18 4.974 9.317 4.225 1.00 0.00 H new ATOM 0 HE2 PHE A 18 3.585 6.272 1.521 1.00 0.00 H new ATOM 0 HZ PHE A 18 5.191 8.087 2.077 1.00 0.00 H new ATOM 287 N ALA A 19 -1.031 6.276 4.047 1.00 0.00 N ATOM 288 CA ALA A 19 -1.808 6.385 2.818 1.00 0.00 C ATOM 289 C ALA A 19 -2.965 7.366 3.008 1.00 0.00 C ATOM 290 O ALA A 19 -3.133 8.323 2.250 1.00 0.00 O ATOM 291 CB ALA A 19 -2.331 5.008 2.398 1.00 0.00 C ATOM 0 H ALA A 19 -0.947 5.324 4.403 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.162 6.764 2.026 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.909 5.103 1.479 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.490 4.335 2.229 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.966 4.604 3.186 1.00 0.00 H new ATOM 297 N VAL A 20 -3.756 7.119 4.051 1.00 0.00 N ATOM 298 CA VAL A 20 -4.910 7.940 4.380 1.00 0.00 C ATOM 299 C VAL A 20 -4.467 9.372 4.687 1.00 0.00 C ATOM 300 O VAL A 20 -5.138 10.317 4.286 1.00 0.00 O ATOM 301 CB VAL A 20 -5.700 7.294 5.531 1.00 0.00 C ATOM 302 CG1 VAL A 20 -6.823 8.206 6.039 1.00 0.00 C ATOM 303 CG2 VAL A 20 -6.340 5.988 5.044 1.00 0.00 C ATOM 0 H VAL A 20 -3.610 6.339 4.692 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.584 7.998 3.525 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.996 7.113 6.344 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -7.355 7.710 6.851 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.396 9.141 6.402 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.517 8.416 5.225 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -6.900 5.531 5.860 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.015 6.201 4.215 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.560 5.303 4.710 1.00 0.00 H new ATOM 313 N ASP A 21 -3.346 9.545 5.389 1.00 0.00 N ATOM 314 CA ASP A 21 -2.809 10.831 5.787 1.00 0.00 C ATOM 315 C ASP A 21 -2.434 11.630 4.548 1.00 0.00 C ATOM 316 O ASP A 21 -2.831 12.780 4.423 1.00 0.00 O ATOM 317 CB ASP A 21 -1.608 10.640 6.720 1.00 0.00 C ATOM 318 CG ASP A 21 -0.955 11.978 7.053 1.00 0.00 C ATOM 319 OD1 ASP A 21 -1.472 12.645 7.976 1.00 0.00 O ATOM 320 OD2 ASP A 21 0.044 12.308 6.380 1.00 0.00 O ATOM 0 H ASP A 21 -2.773 8.762 5.703 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.566 11.389 6.338 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -1.931 10.151 7.639 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -0.878 9.982 6.248 1.00 0.00 H new ATOM 325 N GLU A 22 -1.701 11.011 3.622 1.00 0.00 N ATOM 326 CA GLU A 22 -1.352 11.606 2.343 1.00 0.00 C ATOM 327 C GLU A 22 -2.638 12.022 1.627 1.00 0.00 C ATOM 328 O GLU A 22 -2.776 13.171 1.202 1.00 0.00 O ATOM 329 CB GLU A 22 -0.529 10.606 1.509 1.00 0.00 C ATOM 330 CG GLU A 22 0.053 11.245 0.240 1.00 0.00 C ATOM 331 CD GLU A 22 1.194 12.207 0.554 1.00 0.00 C ATOM 332 OE1 GLU A 22 2.335 11.710 0.673 1.00 0.00 O ATOM 333 OE2 GLU A 22 0.906 13.418 0.672 1.00 0.00 O ATOM 0 H GLU A 22 -1.330 10.069 3.747 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.736 12.493 2.489 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.283 10.210 2.119 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.160 9.762 1.231 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.413 10.462 -0.427 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.735 11.779 -0.291 1.00 0.00 H new ATOM 340 N GLU A 23 -3.597 11.095 1.505 1.00 0.00 N ATOM 341 CA GLU A 23 -4.836 11.398 0.809 1.00 0.00 C ATOM 342 C GLU A 23 -5.561 12.578 1.462 1.00 0.00 C ATOM 343 O GLU A 23 -6.019 13.475 0.759 1.00 0.00 O ATOM 344 CB GLU A 23 -5.741 10.163 0.716 1.00 0.00 C ATOM 345 CG GLU A 23 -6.929 10.520 -0.188 1.00 0.00 C ATOM 346 CD GLU A 23 -7.871 9.351 -0.428 1.00 0.00 C ATOM 347 OE1 GLU A 23 -8.276 8.734 0.578 1.00 0.00 O ATOM 348 OE2 GLU A 23 -8.194 9.122 -1.614 1.00 0.00 O ATOM 0 H GLU A 23 -3.534 10.147 1.875 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.582 11.691 -0.210 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -5.191 9.316 0.307 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -6.089 9.869 1.706 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.487 11.341 0.263 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.553 10.878 -1.146 1.00 0.00 H new ATOM 355 N ASN A 24 -5.672 12.576 2.791 1.00 0.00 N ATOM 356 CA ASN A 24 -6.282 13.647 3.561 1.00 0.00 C ATOM 357 C ASN A 24 -5.532 14.952 3.302 1.00 0.00 C ATOM 358 O ASN A 24 -6.150 15.993 3.097 1.00 0.00 O ATOM 359 CB ASN A 24 -6.226 13.304 5.057 1.00 0.00 C ATOM 360 CG ASN A 24 -7.453 12.560 5.584 1.00 0.00 C ATOM 361 OD1 ASN A 24 -8.352 13.150 6.169 1.00 0.00 O ATOM 362 ND2 ASN A 24 -7.502 11.245 5.436 1.00 0.00 N ATOM 0 H ASN A 24 -5.330 11.809 3.370 1.00 0.00 H new ATOM 0 HA ASN A 24 -7.323 13.763 3.259 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -5.340 12.697 5.244 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -6.105 14.227 5.624 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -8.292 10.719 5.810 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -6.750 10.758 4.948 1.00 0.00 H new ATOM 369 N LYS A 25 -4.197 14.899 3.332 1.00 0.00 N ATOM 370 CA LYS A 25 -3.345 16.069 3.190 1.00 0.00 C ATOM 371 C LYS A 25 -3.569 16.728 1.828 1.00 0.00 C ATOM 372 O LYS A 25 -3.694 17.948 1.749 1.00 0.00 O ATOM 373 CB LYS A 25 -1.882 15.664 3.420 1.00 0.00 C ATOM 374 CG LYS A 25 -0.930 16.865 3.457 1.00 0.00 C ATOM 375 CD LYS A 25 0.471 16.391 3.863 1.00 0.00 C ATOM 376 CE LYS A 25 1.448 17.570 3.922 1.00 0.00 C ATOM 377 NZ LYS A 25 2.778 17.137 4.386 1.00 0.00 N ATOM 0 H LYS A 25 -3.678 14.030 3.457 1.00 0.00 H new ATOM 0 HA LYS A 25 -3.603 16.815 3.942 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.805 15.117 4.359 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -1.570 14.983 2.628 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.894 17.345 2.479 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.294 17.610 4.165 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.426 15.901 4.835 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.830 15.650 3.149 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.534 18.024 2.935 1.00 0.00 H new ATOM 0 HE3 LYS A 25 1.058 18.336 4.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 3.419 17.956 4.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.697 16.726 5.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.159 16.424 3.732 1.00 0.00 H new ATOM 391 N ILE A 26 -3.620 15.931 0.757 1.00 0.00 N ATOM 392 CA ILE A 26 -3.915 16.459 -0.572 1.00 0.00 C ATOM 393 C ILE A 26 -5.389 16.890 -0.642 1.00 0.00 C ATOM 394 O ILE A 26 -5.704 17.943 -1.190 1.00 0.00 O ATOM 395 CB ILE A 26 -3.535 15.438 -1.664 1.00 0.00 C ATOM 396 CG1 ILE A 26 -2.044 15.058 -1.556 1.00 0.00 C ATOM 397 CG2 ILE A 26 -3.802 16.040 -3.054 1.00 0.00 C ATOM 398 CD1 ILE A 26 -1.658 13.890 -2.470 1.00 0.00 C ATOM 0 H ILE A 26 -3.461 14.924 0.786 1.00 0.00 H new ATOM 0 HA ILE A 26 -3.307 17.344 -0.759 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.141 14.543 -1.525 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.434 15.926 -1.807 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.815 14.795 -0.523 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.532 15.315 -3.822 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.859 16.289 -3.146 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.204 16.943 -3.181 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.597 13.669 -2.350 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.244 13.011 -2.204 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.857 14.159 -3.507 1.00 0.00 H new ATOM 410 N GLY A 27 -6.293 16.070 -0.099 1.00 0.00 N ATOM 411 CA GLY A 27 -7.713 16.366 0.024 1.00 0.00 C ATOM 412 C GLY A 27 -8.533 15.845 -1.157 1.00 0.00 C ATOM 413 O GLY A 27 -9.695 16.219 -1.300 1.00 0.00 O ATOM 0 H GLY A 27 -6.044 15.155 0.277 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.092 15.925 0.946 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.849 17.444 0.107 1.00 0.00 H new ATOM 417 N GLN A 28 -7.960 14.961 -1.986 1.00 0.00 N ATOM 418 CA GLN A 28 -8.613 14.426 -3.183 1.00 0.00 C ATOM 419 C GLN A 28 -10.016 13.893 -2.881 1.00 0.00 C ATOM 420 O GLN A 28 -10.954 14.156 -3.630 1.00 0.00 O ATOM 421 CB GLN A 28 -7.753 13.311 -3.799 1.00 0.00 C ATOM 422 CG GLN A 28 -6.532 13.854 -4.554 1.00 0.00 C ATOM 423 CD GLN A 28 -6.894 14.574 -5.854 1.00 0.00 C ATOM 424 OE1 GLN A 28 -8.028 14.526 -6.316 1.00 0.00 O ATOM 425 NE2 GLN A 28 -5.926 15.246 -6.470 1.00 0.00 N ATOM 0 H GLN A 28 -7.019 14.595 -1.840 1.00 0.00 H new ATOM 0 HA GLN A 28 -8.716 15.246 -3.894 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -7.417 12.638 -3.010 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.365 12.721 -4.482 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -5.989 14.541 -3.905 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.857 13.029 -4.780 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -4.989 15.273 -6.068 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -6.121 15.734 -7.344 1.00 0.00 H new ATOM 434 N TYR A 29 -10.149 13.147 -1.783 1.00 0.00 N ATOM 435 CA TYR A 29 -11.428 12.616 -1.315 1.00 0.00 C ATOM 436 C TYR A 29 -11.819 13.277 0.013 1.00 0.00 C ATOM 437 O TYR A 29 -12.438 12.667 0.881 1.00 0.00 O ATOM 438 CB TYR A 29 -11.346 11.084 -1.240 1.00 0.00 C ATOM 439 CG TYR A 29 -11.890 10.359 -2.456 1.00 0.00 C ATOM 440 CD1 TYR A 29 -13.282 10.224 -2.607 1.00 0.00 C ATOM 441 CD2 TYR A 29 -11.025 9.749 -3.385 1.00 0.00 C ATOM 442 CE1 TYR A 29 -13.808 9.459 -3.661 1.00 0.00 C ATOM 443 CE2 TYR A 29 -11.552 8.952 -4.418 1.00 0.00 C ATOM 444 CZ TYR A 29 -12.943 8.805 -4.553 1.00 0.00 C ATOM 445 OH TYR A 29 -13.464 7.965 -5.489 1.00 0.00 O ATOM 0 H TYR A 29 -9.361 12.892 -1.187 1.00 0.00 H new ATOM 0 HA TYR A 29 -12.225 12.857 -2.018 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -10.304 10.796 -1.098 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -11.892 10.747 -0.359 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -13.949 10.710 -1.910 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -9.958 9.893 -3.305 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -14.877 9.374 -3.785 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -10.887 8.453 -5.107 1.00 0.00 H new ATOM 0 HH TYR A 29 -13.186 7.046 -5.294 1.00 0.00 H new ATOM 455 N GLY A 30 -11.477 14.557 0.164 1.00 0.00 N ATOM 456 CA GLY A 30 -11.766 15.309 1.371 1.00 0.00 C ATOM 457 C GLY A 30 -11.057 14.695 2.580 1.00 0.00 C ATOM 458 O GLY A 30 -9.925 14.225 2.464 1.00 0.00 O ATOM 0 H GLY A 30 -10.991 15.096 -0.552 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -11.448 16.344 1.245 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -12.842 15.326 1.545 1.00 0.00 H new ATOM 462 N ARG A 31 -11.724 14.723 3.737 1.00 0.00 N ATOM 463 CA ARG A 31 -11.190 14.242 5.004 1.00 0.00 C ATOM 464 C ARG A 31 -11.751 12.846 5.282 1.00 0.00 C ATOM 465 O ARG A 31 -12.969 12.682 5.295 1.00 0.00 O ATOM 466 CB ARG A 31 -11.574 15.236 6.108 1.00 0.00 C ATOM 467 CG ARG A 31 -10.890 14.910 7.442 1.00 0.00 C ATOM 468 CD ARG A 31 -11.322 15.869 8.560 1.00 0.00 C ATOM 469 NE ARG A 31 -10.902 17.254 8.292 1.00 0.00 N ATOM 470 CZ ARG A 31 -11.662 18.235 7.779 1.00 0.00 C ATOM 471 NH1 ARG A 31 -12.922 18.001 7.393 1.00 0.00 N ATOM 472 NH2 ARG A 31 -11.145 19.460 7.650 1.00 0.00 N ATOM 0 H ARG A 31 -12.672 15.090 3.815 1.00 0.00 H new ATOM 0 HA ARG A 31 -10.103 14.169 4.969 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -11.301 16.245 5.798 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -12.655 15.226 6.244 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -11.128 13.886 7.731 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -9.808 14.963 7.317 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -12.406 15.834 8.669 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -10.895 15.538 9.507 1.00 0.00 H new ATOM 0 HE ARG A 31 -9.937 17.493 8.519 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -13.319 17.066 7.487 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -13.485 18.758 7.005 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -10.184 19.641 7.940 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -11.711 20.214 7.262 1.00 0.00 H new ATOM 486 N LEU A 32 -10.885 11.847 5.496 1.00 0.00 N ATOM 487 CA LEU A 32 -11.277 10.462 5.742 1.00 0.00 C ATOM 488 C LEU A 32 -10.635 9.951 7.028 1.00 0.00 C ATOM 489 O LEU A 32 -9.435 10.136 7.234 1.00 0.00 O ATOM 490 CB LEU A 32 -10.840 9.563 4.588 1.00 0.00 C ATOM 491 CG LEU A 32 -11.307 10.081 3.220 1.00 0.00 C ATOM 492 CD1 LEU A 32 -10.099 10.640 2.462 1.00 0.00 C ATOM 493 CD2 LEU A 32 -11.960 8.945 2.432 1.00 0.00 C ATOM 0 H LEU A 32 -9.875 11.986 5.502 1.00 0.00 H new ATOM 0 HA LEU A 32 -12.363 10.435 5.833 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.753 9.481 4.589 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.235 8.559 4.746 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.044 10.873 3.352 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.420 11.011 1.489 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.657 11.456 3.033 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.359 9.851 2.324 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.290 9.318 1.462 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.238 8.142 2.286 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.819 8.565 2.986 1.00 0.00 H new ATOM 505 N THR A 33 -11.427 9.273 7.857 1.00 0.00 N ATOM 506 CA THR A 33 -11.042 8.795 9.174 1.00 0.00 C ATOM 507 C THR A 33 -10.588 7.341 9.062 1.00 0.00 C ATOM 508 O THR A 33 -11.427 6.440 9.023 1.00 0.00 O ATOM 509 CB THR A 33 -12.243 8.941 10.122 1.00 0.00 C ATOM 510 OG1 THR A 33 -12.789 10.240 9.993 1.00 0.00 O ATOM 511 CG2 THR A 33 -11.836 8.713 11.581 1.00 0.00 C ATOM 0 H THR A 33 -12.389 9.035 7.616 1.00 0.00 H new ATOM 0 HA THR A 33 -10.214 9.379 9.575 1.00 0.00 H new ATOM 0 HB THR A 33 -12.982 8.188 9.849 1.00 0.00 H new ATOM 0 HG1 THR A 33 -13.556 10.334 10.596 1.00 0.00 H new ATOM 0 HG21 THR A 33 -12.709 8.824 12.224 1.00 0.00 H new ATOM 0 HG22 THR A 33 -11.429 7.708 11.692 1.00 0.00 H new ATOM 0 HG23 THR A 33 -11.080 9.445 11.866 1.00 0.00 H new ATOM 519 N PHE A 34 -9.274 7.103 9.008 1.00 0.00 N ATOM 520 CA PHE A 34 -8.710 5.755 9.031 1.00 0.00 C ATOM 521 C PHE A 34 -9.376 4.910 10.112 1.00 0.00 C ATOM 522 O PHE A 34 -9.398 5.290 11.281 1.00 0.00 O ATOM 523 CB PHE A 34 -7.198 5.808 9.245 1.00 0.00 C ATOM 524 CG PHE A 34 -6.518 4.483 9.540 1.00 0.00 C ATOM 525 CD1 PHE A 34 -6.271 3.568 8.499 1.00 0.00 C ATOM 526 CD2 PHE A 34 -6.007 4.228 10.826 1.00 0.00 C ATOM 527 CE1 PHE A 34 -5.433 2.460 8.720 1.00 0.00 C ATOM 528 CE2 PHE A 34 -5.167 3.123 11.047 1.00 0.00 C ATOM 529 CZ PHE A 34 -4.860 2.254 9.986 1.00 0.00 C ATOM 0 H PHE A 34 -8.573 7.842 8.947 1.00 0.00 H new ATOM 0 HA PHE A 34 -8.903 5.288 8.065 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -6.740 6.238 8.354 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.992 6.490 10.070 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -6.725 3.717 7.530 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -6.261 4.883 11.646 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.230 1.768 7.916 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -4.758 2.942 12.030 1.00 0.00 H new ATOM 0 HZ PHE A 34 -4.183 1.427 10.144 1.00 0.00 H new ATOM 539 N ASN A 35 -9.945 3.785 9.686 1.00 0.00 N ATOM 540 CA ASN A 35 -10.547 2.790 10.562 1.00 0.00 C ATOM 541 C ASN A 35 -9.483 1.728 10.826 1.00 0.00 C ATOM 542 O ASN A 35 -9.085 1.521 11.970 1.00 0.00 O ATOM 543 CB ASN A 35 -11.802 2.159 9.933 1.00 0.00 C ATOM 544 CG ASN A 35 -13.069 3.013 10.008 1.00 0.00 C ATOM 545 OD1 ASN A 35 -14.161 2.477 10.143 1.00 0.00 O ATOM 546 ND2 ASN A 35 -12.978 4.336 9.902 1.00 0.00 N ATOM 0 H ASN A 35 -10.000 3.536 8.698 1.00 0.00 H new ATOM 0 HA ASN A 35 -10.874 3.258 11.490 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -11.593 1.940 8.886 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -11.996 1.206 10.426 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -13.821 4.909 9.933 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -12.065 4.777 9.790 1.00 0.00 H new ATOM 553 N LYS A 36 -9.015 1.061 9.764 1.00 0.00 N ATOM 554 CA LYS A 36 -7.936 0.084 9.847 1.00 0.00 C ATOM 555 C LYS A 36 -7.487 -0.281 8.430 1.00 0.00 C ATOM 556 O LYS A 36 -7.848 0.393 7.469 1.00 0.00 O ATOM 557 CB LYS A 36 -8.371 -1.168 10.641 1.00 0.00 C ATOM 558 CG LYS A 36 -7.224 -1.661 11.535 1.00 0.00 C ATOM 559 CD LYS A 36 -7.374 -3.136 11.929 1.00 0.00 C ATOM 560 CE LYS A 36 -8.628 -3.382 12.774 1.00 0.00 C ATOM 561 NZ LYS A 36 -8.699 -4.783 13.226 1.00 0.00 N ATOM 0 H LYS A 36 -9.380 1.189 8.820 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.096 0.521 10.388 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.242 -0.934 11.253 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -8.669 -1.958 9.952 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.277 -1.523 11.013 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.183 -1.050 12.437 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.418 -3.749 11.029 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -6.493 -3.453 12.487 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.623 -2.718 13.638 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.516 -3.140 12.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.558 -4.921 13.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.727 -5.413 12.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -7.862 -5.005 13.802 1.00 0.00 H new ATOM 575 N VAL A 37 -6.722 -1.366 8.298 1.00 0.00 N ATOM 576 CA VAL A 37 -6.369 -2.021 7.056 1.00 0.00 C ATOM 577 C VAL A 37 -6.866 -3.459 7.144 1.00 0.00 C ATOM 578 O VAL A 37 -6.934 -4.006 8.246 1.00 0.00 O ATOM 579 CB VAL A 37 -4.850 -1.931 6.885 1.00 0.00 C ATOM 580 CG1 VAL A 37 -4.060 -2.649 7.988 1.00 0.00 C ATOM 581 CG2 VAL A 37 -4.404 -2.444 5.515 1.00 0.00 C ATOM 0 H VAL A 37 -6.313 -1.831 9.108 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.826 -1.552 6.185 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.621 -0.868 6.966 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.992 -2.542 7.799 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -4.303 -2.209 8.955 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.323 -3.707 7.994 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.320 -2.364 5.432 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.701 -3.487 5.403 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.873 -1.847 4.733 1.00 0.00 H new ATOM 591 N ILE A 38 -7.222 -4.060 6.008 1.00 0.00 N ATOM 592 CA ILE A 38 -7.690 -5.434 5.950 1.00 0.00 C ATOM 593 C ILE A 38 -7.155 -6.100 4.686 1.00 0.00 C ATOM 594 O ILE A 38 -6.756 -5.427 3.737 1.00 0.00 O ATOM 595 CB ILE A 38 -9.224 -5.524 6.022 1.00 0.00 C ATOM 596 CG1 ILE A 38 -9.917 -4.767 4.875 1.00 0.00 C ATOM 597 CG2 ILE A 38 -9.761 -5.054 7.381 1.00 0.00 C ATOM 598 CD1 ILE A 38 -11.205 -5.494 4.489 1.00 0.00 C ATOM 0 H ILE A 38 -7.191 -3.599 5.099 1.00 0.00 H new ATOM 0 HA ILE A 38 -7.308 -5.964 6.823 1.00 0.00 H new ATOM 0 HB ILE A 38 -9.467 -6.580 5.907 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -10.142 -3.746 5.183 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -9.252 -4.702 4.014 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -10.848 -5.134 7.390 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -9.345 -5.678 8.172 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -9.472 -4.016 7.547 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -11.696 -4.958 3.677 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -10.968 -6.507 4.164 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -11.871 -5.536 5.351 1.00 0.00 H new ATOM 610 N ARG A 39 -7.150 -7.433 4.692 1.00 0.00 N ATOM 611 CA ARG A 39 -6.699 -8.230 3.566 1.00 0.00 C ATOM 612 C ARG A 39 -7.648 -8.057 2.369 1.00 0.00 C ATOM 613 O ARG A 39 -8.827 -7.766 2.570 1.00 0.00 O ATOM 614 CB ARG A 39 -6.579 -9.691 4.020 1.00 0.00 C ATOM 615 CG ARG A 39 -5.291 -9.859 4.840 1.00 0.00 C ATOM 616 CD ARG A 39 -5.308 -11.132 5.687 1.00 0.00 C ATOM 617 NE ARG A 39 -5.554 -12.330 4.874 1.00 0.00 N ATOM 618 CZ ARG A 39 -5.682 -13.565 5.380 1.00 0.00 C ATOM 619 NH1 ARG A 39 -5.528 -13.773 6.693 1.00 0.00 N ATOM 620 NH2 ARG A 39 -5.966 -14.587 4.568 1.00 0.00 N ATOM 0 H ARG A 39 -7.463 -7.989 5.488 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.718 -7.895 3.228 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -7.445 -9.971 4.619 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.563 -10.353 3.155 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.434 -9.884 4.167 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -5.161 -8.994 5.490 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -4.355 -11.235 6.206 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -6.080 -11.048 6.452 1.00 0.00 H new ATOM 0 HE ARG A 39 -5.632 -12.216 3.863 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -5.313 -12.991 7.311 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -5.626 -14.714 7.075 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -6.084 -14.426 3.568 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -6.064 -15.528 4.948 1.00 0.00 H new ATOM 634 N PRO A 40 -7.172 -8.260 1.128 1.00 0.00 N ATOM 635 CA PRO A 40 -5.810 -8.642 0.787 1.00 0.00 C ATOM 636 C PRO A 40 -4.837 -7.475 0.988 1.00 0.00 C ATOM 637 O PRO A 40 -5.168 -6.314 0.750 1.00 0.00 O ATOM 638 CB PRO A 40 -5.868 -9.110 -0.670 1.00 0.00 C ATOM 639 CG PRO A 40 -7.050 -8.336 -1.252 1.00 0.00 C ATOM 640 CD PRO A 40 -8.000 -8.181 -0.063 1.00 0.00 C ATOM 0 HA PRO A 40 -5.436 -9.435 1.434 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -4.942 -8.885 -1.200 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -6.022 -10.187 -0.739 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -6.740 -7.368 -1.646 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -7.520 -8.879 -2.072 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -8.528 -7.229 -0.108 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -8.757 -8.965 -0.064 1.00 0.00 H new ATOM 648 N CYS A 41 -3.638 -7.790 1.478 1.00 0.00 N ATOM 649 CA CYS A 41 -2.547 -6.847 1.627 1.00 0.00 C ATOM 650 C CYS A 41 -1.364 -7.582 1.047 1.00 0.00 C ATOM 651 O CYS A 41 -0.970 -8.577 1.639 1.00 0.00 O ATOM 652 CB CYS A 41 -2.285 -6.524 3.101 1.00 0.00 C ATOM 653 SG CYS A 41 -3.716 -5.754 3.889 1.00 0.00 S ATOM 0 H CYS A 41 -3.400 -8.732 1.788 1.00 0.00 H new ATOM 0 HA CYS A 41 -2.755 -5.895 1.139 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -2.027 -7.440 3.633 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -1.426 -5.858 3.179 1.00 0.00 H new ATOM 0 HG CYS A 41 -4.771 -5.943 3.153 1.00 0.00 H new ATOM 659 N MET A 42 -0.862 -7.184 -0.119 1.00 0.00 N ATOM 660 CA MET A 42 0.097 -7.984 -0.866 1.00 0.00 C ATOM 661 C MET A 42 1.245 -7.097 -1.335 1.00 0.00 C ATOM 662 O MET A 42 1.010 -5.931 -1.649 1.00 0.00 O ATOM 663 CB MET A 42 -0.660 -8.670 -2.015 1.00 0.00 C ATOM 664 CG MET A 42 -0.024 -10.008 -2.397 1.00 0.00 C ATOM 665 SD MET A 42 -0.752 -10.811 -3.846 1.00 0.00 S ATOM 666 CE MET A 42 0.234 -12.323 -3.887 1.00 0.00 C ATOM 0 H MET A 42 -1.109 -6.302 -0.568 1.00 0.00 H new ATOM 0 HA MET A 42 0.549 -8.762 -0.251 1.00 0.00 H new ATOM 0 HB2 MET A 42 -1.697 -8.832 -1.721 1.00 0.00 H new ATOM 0 HB3 MET A 42 -0.674 -8.013 -2.885 1.00 0.00 H new ATOM 0 HG2 MET A 42 1.038 -9.849 -2.583 1.00 0.00 H new ATOM 0 HG3 MET A 42 -0.101 -10.686 -1.547 1.00 0.00 H new ATOM 0 HE1 MET A 42 -0.084 -12.942 -4.726 1.00 0.00 H new ATOM 0 HE2 MET A 42 1.287 -12.067 -4.003 1.00 0.00 H new ATOM 0 HE3 MET A 42 0.094 -12.874 -2.957 1.00 0.00 H new ATOM 676 N LYS A 43 2.480 -7.618 -1.347 1.00 0.00 N ATOM 677 CA LYS A 43 3.648 -6.826 -1.735 1.00 0.00 C ATOM 678 C LYS A 43 4.355 -7.412 -2.948 1.00 0.00 C ATOM 679 O LYS A 43 4.471 -8.635 -3.046 1.00 0.00 O ATOM 680 CB LYS A 43 4.620 -6.673 -0.560 1.00 0.00 C ATOM 681 CG LYS A 43 5.525 -7.890 -0.318 1.00 0.00 C ATOM 682 CD LYS A 43 6.483 -7.580 0.838 1.00 0.00 C ATOM 683 CE LYS A 43 7.413 -8.766 1.105 1.00 0.00 C ATOM 684 NZ LYS A 43 8.389 -8.444 2.161 1.00 0.00 N ATOM 0 H LYS A 43 2.692 -8.583 -1.092 1.00 0.00 H new ATOM 0 HA LYS A 43 3.288 -5.836 -2.016 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.247 -5.799 -0.736 1.00 0.00 H new ATOM 0 HB3 LYS A 43 4.047 -6.477 0.346 1.00 0.00 H new ATOM 0 HG2 LYS A 43 4.922 -8.766 -0.082 1.00 0.00 H new ATOM 0 HG3 LYS A 43 6.089 -8.125 -1.221 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.073 -6.695 0.600 1.00 0.00 H new ATOM 0 HD3 LYS A 43 5.912 -7.350 1.738 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.825 -9.635 1.401 1.00 0.00 H new ATOM 0 HE3 LYS A 43 7.939 -9.034 0.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 9.008 -9.264 2.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 8.964 -7.629 1.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 7.885 -8.211 3.040 1.00 0.00 H new ATOM 698 N LYS A 44 4.891 -6.545 -3.815 1.00 0.00 N ATOM 699 CA LYS A 44 5.769 -6.936 -4.910 1.00 0.00 C ATOM 700 C LYS A 44 7.106 -6.216 -4.752 1.00 0.00 C ATOM 701 O LYS A 44 7.163 -5.106 -4.227 1.00 0.00 O ATOM 702 CB LYS A 44 5.119 -6.628 -6.266 1.00 0.00 C ATOM 703 CG LYS A 44 5.764 -7.442 -7.400 1.00 0.00 C ATOM 704 CD LYS A 44 5.178 -7.089 -8.773 1.00 0.00 C ATOM 705 CE LYS A 44 5.772 -5.808 -9.370 1.00 0.00 C ATOM 706 NZ LYS A 44 7.204 -5.953 -9.694 1.00 0.00 N ATOM 0 H LYS A 44 4.721 -5.540 -3.770 1.00 0.00 H new ATOM 0 HA LYS A 44 5.941 -8.012 -4.878 1.00 0.00 H new ATOM 0 HB2 LYS A 44 4.053 -6.851 -6.218 1.00 0.00 H new ATOM 0 HB3 LYS A 44 5.213 -5.564 -6.482 1.00 0.00 H new ATOM 0 HG2 LYS A 44 6.839 -7.261 -7.408 1.00 0.00 H new ATOM 0 HG3 LYS A 44 5.621 -8.505 -7.208 1.00 0.00 H new ATOM 0 HD2 LYS A 44 5.353 -7.917 -9.460 1.00 0.00 H new ATOM 0 HD3 LYS A 44 4.098 -6.973 -8.681 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.223 -5.542 -10.273 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.643 -4.987 -8.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 7.480 -5.224 -10.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.769 -5.842 -8.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 7.374 -6.895 -10.100 1.00 0.00 H new ATOM 720 N THR A 45 8.184 -6.850 -5.210 1.00 0.00 N ATOM 721 CA THR A 45 9.503 -6.239 -5.265 1.00 0.00 C ATOM 722 C THR A 45 9.589 -5.354 -6.512 1.00 0.00 C ATOM 723 O THR A 45 9.110 -5.758 -7.572 1.00 0.00 O ATOM 724 CB THR A 45 10.556 -7.355 -5.260 1.00 0.00 C ATOM 725 OG1 THR A 45 10.358 -8.176 -4.125 1.00 0.00 O ATOM 726 CG2 THR A 45 11.971 -6.787 -5.181 1.00 0.00 C ATOM 0 H THR A 45 8.162 -7.810 -5.555 1.00 0.00 H new ATOM 0 HA THR A 45 9.687 -5.602 -4.400 1.00 0.00 H new ATOM 0 HB THR A 45 10.447 -7.920 -6.186 1.00 0.00 H new ATOM 0 HG1 THR A 45 10.388 -7.626 -3.314 1.00 0.00 H new ATOM 0 HG21 THR A 45 12.692 -7.605 -5.179 1.00 0.00 H new ATOM 0 HG22 THR A 45 12.154 -6.144 -6.042 1.00 0.00 H new ATOM 0 HG23 THR A 45 12.079 -6.206 -4.265 1.00 0.00 H new ATOM 734 N ILE A 46 10.182 -4.162 -6.387 1.00 0.00 N ATOM 735 CA ILE A 46 10.378 -3.202 -7.469 1.00 0.00 C ATOM 736 C ILE A 46 11.879 -3.116 -7.767 1.00 0.00 C ATOM 737 O ILE A 46 12.710 -3.024 -6.858 1.00 0.00 O ATOM 738 CB ILE A 46 9.686 -1.862 -7.128 1.00 0.00 C ATOM 739 CG1 ILE A 46 8.539 -1.549 -8.103 1.00 0.00 C ATOM 740 CG2 ILE A 46 10.623 -0.649 -7.098 1.00 0.00 C ATOM 741 CD1 ILE A 46 7.373 -2.530 -7.965 1.00 0.00 C ATOM 0 H ILE A 46 10.551 -3.831 -5.495 1.00 0.00 H new ATOM 0 HA ILE A 46 9.899 -3.522 -8.394 1.00 0.00 H new ATOM 0 HB ILE A 46 9.308 -2.017 -6.118 1.00 0.00 H new ATOM 0 HG12 ILE A 46 8.181 -0.535 -7.925 1.00 0.00 H new ATOM 0 HG13 ILE A 46 8.916 -1.579 -9.125 1.00 0.00 H new ATOM 0 HG21 ILE A 46 10.052 0.246 -6.851 1.00 0.00 H new ATOM 0 HG22 ILE A 46 11.396 -0.805 -6.346 1.00 0.00 H new ATOM 0 HG23 ILE A 46 11.088 -0.524 -8.076 1.00 0.00 H new ATOM 0 HD11 ILE A 46 6.589 -2.266 -8.675 1.00 0.00 H new ATOM 0 HD12 ILE A 46 7.723 -3.542 -8.170 1.00 0.00 H new ATOM 0 HD13 ILE A 46 6.975 -2.482 -6.951 1.00 0.00 H new ATOM 753 N TYR A 47 12.252 -3.196 -9.046 1.00 0.00 N ATOM 754 CA TYR A 47 13.632 -3.392 -9.446 1.00 0.00 C ATOM 755 C TYR A 47 13.785 -3.153 -10.938 1.00 0.00 C ATOM 756 O TYR A 47 12.798 -2.881 -11.619 1.00 0.00 O ATOM 757 CB TYR A 47 14.074 -4.803 -9.058 1.00 0.00 C ATOM 758 CG TYR A 47 13.432 -5.956 -9.796 1.00 0.00 C ATOM 759 CD1 TYR A 47 12.238 -6.515 -9.303 1.00 0.00 C ATOM 760 CD2 TYR A 47 14.156 -6.633 -10.796 1.00 0.00 C ATOM 761 CE1 TYR A 47 11.788 -7.755 -9.779 1.00 0.00 C ATOM 762 CE2 TYR A 47 13.700 -7.869 -11.281 1.00 0.00 C ATOM 763 CZ TYR A 47 12.524 -8.439 -10.762 1.00 0.00 C ATOM 764 OH TYR A 47 12.123 -9.671 -11.183 1.00 0.00 O ATOM 0 H TYR A 47 11.600 -3.126 -9.827 1.00 0.00 H new ATOM 0 HA TYR A 47 14.271 -2.675 -8.931 1.00 0.00 H new ATOM 0 HB2 TYR A 47 15.153 -4.870 -9.200 1.00 0.00 H new ATOM 0 HB3 TYR A 47 13.884 -4.936 -7.993 1.00 0.00 H new ATOM 0 HD1 TYR A 47 11.666 -5.987 -8.555 1.00 0.00 H new ATOM 0 HD2 TYR A 47 15.064 -6.201 -11.191 1.00 0.00 H new ATOM 0 HE1 TYR A 47 10.876 -8.184 -9.390 1.00 0.00 H new ATOM 0 HE2 TYR A 47 14.253 -8.383 -12.054 1.00 0.00 H new ATOM 0 HH TYR A 47 12.743 -10.001 -11.866 1.00 0.00 H new ATOM 774 N GLU A 48 15.023 -3.236 -11.427 1.00 0.00 N ATOM 775 CA GLU A 48 15.371 -3.054 -12.817 1.00 0.00 C ATOM 776 C GLU A 48 16.730 -3.725 -13.013 1.00 0.00 C ATOM 777 O GLU A 48 17.372 -4.145 -12.049 1.00 0.00 O ATOM 778 CB GLU A 48 15.373 -1.549 -13.144 1.00 0.00 C ATOM 779 CG GLU A 48 15.174 -1.198 -14.625 1.00 0.00 C ATOM 780 CD GLU A 48 16.482 -0.935 -15.361 1.00 0.00 C ATOM 781 OE1 GLU A 48 17.091 0.120 -15.087 1.00 0.00 O ATOM 782 OE2 GLU A 48 16.864 -1.811 -16.167 1.00 0.00 O ATOM 0 H GLU A 48 15.831 -3.439 -10.838 1.00 0.00 H new ATOM 0 HA GLU A 48 14.655 -3.508 -13.502 1.00 0.00 H new ATOM 0 HB2 GLU A 48 14.585 -1.067 -12.565 1.00 0.00 H new ATOM 0 HB3 GLU A 48 16.319 -1.123 -12.811 1.00 0.00 H new ATOM 0 HG2 GLU A 48 14.646 -2.014 -15.117 1.00 0.00 H new ATOM 0 HG3 GLU A 48 14.539 -0.316 -14.700 1.00 0.00 H new ATOM 789 N ASN A 49 17.139 -3.830 -14.272 1.00 0.00 N ATOM 790 CA ASN A 49 18.401 -4.426 -14.672 1.00 0.00 C ATOM 791 C ASN A 49 19.526 -3.423 -14.452 1.00 0.00 C ATOM 792 O ASN A 49 20.464 -3.708 -13.721 1.00 0.00 O ATOM 793 CB ASN A 49 18.349 -4.886 -16.135 1.00 0.00 C ATOM 794 CG ASN A 49 17.540 -6.166 -16.337 1.00 0.00 C ATOM 795 OD1 ASN A 49 16.958 -6.711 -15.406 1.00 0.00 O ATOM 796 ND2 ASN A 49 17.497 -6.665 -17.569 1.00 0.00 N ATOM 0 H ASN A 49 16.586 -3.494 -15.060 1.00 0.00 H new ATOM 0 HA ASN A 49 18.590 -5.308 -14.060 1.00 0.00 H new ATOM 0 HB2 ASN A 49 17.917 -4.091 -16.743 1.00 0.00 H new ATOM 0 HB3 ASN A 49 19.365 -5.046 -16.495 1.00 0.00 H new ATOM 0 HD21 ASN A 49 16.972 -7.519 -17.755 1.00 0.00 H new ATOM 0 HD22 ASN A 49 17.989 -6.194 -18.328 1.00 0.00 H new ATOM 803 N GLU A 50 19.439 -2.260 -15.107 1.00 0.00 N ATOM 804 CA GLU A 50 20.470 -1.226 -15.101 1.00 0.00 C ATOM 805 C GLU A 50 21.847 -1.864 -15.325 1.00 0.00 C ATOM 806 O GLU A 50 22.762 -1.748 -14.511 1.00 0.00 O ATOM 807 CB GLU A 50 20.372 -0.400 -13.806 1.00 0.00 C ATOM 808 CG GLU A 50 21.172 0.912 -13.857 1.00 0.00 C ATOM 809 CD GLU A 50 20.634 1.881 -14.907 1.00 0.00 C ATOM 810 OE1 GLU A 50 19.672 2.605 -14.572 1.00 0.00 O ATOM 811 OE2 GLU A 50 21.192 1.874 -16.026 1.00 0.00 O ATOM 0 H GLU A 50 18.626 -2.009 -15.670 1.00 0.00 H new ATOM 0 HA GLU A 50 20.318 -0.527 -15.924 1.00 0.00 H new ATOM 0 HB2 GLU A 50 19.325 -0.171 -13.608 1.00 0.00 H new ATOM 0 HB3 GLU A 50 20.730 -1.003 -12.971 1.00 0.00 H new ATOM 0 HG2 GLU A 50 21.144 1.390 -12.878 1.00 0.00 H new ATOM 0 HG3 GLU A 50 22.217 0.689 -14.074 1.00 0.00 H new ATOM 818 N GLY A 51 21.969 -2.606 -16.426 1.00 0.00 N ATOM 819 CA GLY A 51 23.136 -3.427 -16.693 1.00 0.00 C ATOM 820 C GLY A 51 23.138 -4.671 -15.807 1.00 0.00 C ATOM 821 O GLY A 51 22.927 -5.778 -16.298 1.00 0.00 O ATOM 0 H GLY A 51 21.257 -2.650 -17.155 1.00 0.00 H new ATOM 0 HA2 GLY A 51 23.146 -3.722 -17.742 1.00 0.00 H new ATOM 0 HA3 GLY A 51 24.042 -2.848 -16.516 1.00 0.00 H new ATOM 825 N PHE A 52 23.388 -4.482 -14.511 1.00 0.00 N ATOM 826 CA PHE A 52 23.540 -5.559 -13.540 1.00 0.00 C ATOM 827 C PHE A 52 22.419 -5.501 -12.498 1.00 0.00 C ATOM 828 O PHE A 52 22.464 -4.673 -11.591 1.00 0.00 O ATOM 829 CB PHE A 52 24.930 -5.498 -12.896 1.00 0.00 C ATOM 830 CG PHE A 52 25.419 -6.845 -12.396 1.00 0.00 C ATOM 831 CD1 PHE A 52 24.997 -7.338 -11.148 1.00 0.00 C ATOM 832 CD2 PHE A 52 26.279 -7.619 -13.200 1.00 0.00 C ATOM 833 CE1 PHE A 52 25.490 -8.568 -10.676 1.00 0.00 C ATOM 834 CE2 PHE A 52 26.777 -8.845 -12.725 1.00 0.00 C ATOM 835 CZ PHE A 52 26.400 -9.309 -11.453 1.00 0.00 C ATOM 0 H PHE A 52 23.492 -3.554 -14.101 1.00 0.00 H new ATOM 0 HA PHE A 52 23.457 -6.518 -14.051 1.00 0.00 H new ATOM 0 HB2 PHE A 52 25.643 -5.107 -13.622 1.00 0.00 H new ATOM 0 HB3 PHE A 52 24.906 -4.796 -12.063 1.00 0.00 H new ATOM 0 HD1 PHE A 52 24.295 -6.773 -10.553 1.00 0.00 H new ATOM 0 HD2 PHE A 52 26.556 -7.270 -14.184 1.00 0.00 H new ATOM 0 HE1 PHE A 52 25.170 -8.944 -9.716 1.00 0.00 H new ATOM 0 HE2 PHE A 52 27.448 -9.429 -13.337 1.00 0.00 H new ATOM 0 HZ PHE A 52 26.808 -10.233 -11.072 1.00 0.00 H new ATOM 845 N ARG A 53 21.439 -6.400 -12.651 1.00 0.00 N ATOM 846 CA ARG A 53 20.273 -6.593 -11.792 1.00 0.00 C ATOM 847 C ARG A 53 20.500 -6.205 -10.326 1.00 0.00 C ATOM 848 O ARG A 53 21.418 -6.712 -9.683 1.00 0.00 O ATOM 849 CB ARG A 53 19.808 -8.054 -11.923 1.00 0.00 C ATOM 850 CG ARG A 53 20.859 -9.043 -11.389 1.00 0.00 C ATOM 851 CD ARG A 53 20.761 -10.414 -12.069 1.00 0.00 C ATOM 852 NE ARG A 53 21.837 -11.308 -11.614 1.00 0.00 N ATOM 853 CZ ARG A 53 23.133 -11.182 -11.939 1.00 0.00 C ATOM 854 NH1 ARG A 53 23.535 -10.224 -12.783 1.00 0.00 N ATOM 855 NH2 ARG A 53 24.031 -12.017 -11.406 1.00 0.00 N ATOM 0 H ARG A 53 21.444 -7.055 -13.433 1.00 0.00 H new ATOM 0 HA ARG A 53 19.495 -5.911 -12.134 1.00 0.00 H new ATOM 0 HB2 ARG A 53 18.874 -8.188 -11.377 1.00 0.00 H new ATOM 0 HB3 ARG A 53 19.600 -8.276 -12.970 1.00 0.00 H new ATOM 0 HG2 ARG A 53 21.856 -8.631 -11.546 1.00 0.00 H new ATOM 0 HG3 ARG A 53 20.730 -9.163 -10.313 1.00 0.00 H new ATOM 0 HD2 ARG A 53 19.793 -10.864 -11.850 1.00 0.00 H new ATOM 0 HD3 ARG A 53 20.818 -10.292 -13.151 1.00 0.00 H new ATOM 0 HE ARG A 53 21.578 -12.084 -11.004 1.00 0.00 H new ATOM 0 HH11 ARG A 53 22.854 -9.581 -13.186 1.00 0.00 H new ATOM 0 HH12 ARG A 53 24.523 -10.137 -13.023 1.00 0.00 H new ATOM 0 HH21 ARG A 53 23.729 -12.744 -10.757 1.00 0.00 H new ATOM 0 HH22 ARG A 53 25.018 -11.927 -11.648 1.00 0.00 H new ATOM 869 N GLU A 54 19.635 -5.337 -9.788 1.00 0.00 N ATOM 870 CA GLU A 54 19.653 -4.947 -8.393 1.00 0.00 C ATOM 871 C GLU A 54 18.236 -4.561 -7.971 1.00 0.00 C ATOM 872 O GLU A 54 17.547 -3.844 -8.696 1.00 0.00 O ATOM 873 CB GLU A 54 20.652 -3.800 -8.185 1.00 0.00 C ATOM 874 CG GLU A 54 20.840 -3.462 -6.700 1.00 0.00 C ATOM 875 CD GLU A 54 21.879 -2.364 -6.503 1.00 0.00 C ATOM 876 OE1 GLU A 54 21.477 -1.181 -6.549 1.00 0.00 O ATOM 877 OE2 GLU A 54 23.060 -2.725 -6.305 1.00 0.00 O ATOM 0 H GLU A 54 18.896 -4.885 -10.326 1.00 0.00 H new ATOM 0 HA GLU A 54 19.981 -5.777 -7.767 1.00 0.00 H new ATOM 0 HB2 GLU A 54 21.614 -4.074 -8.619 1.00 0.00 H new ATOM 0 HB3 GLU A 54 20.303 -2.915 -8.717 1.00 0.00 H new ATOM 0 HG2 GLU A 54 19.888 -3.144 -6.275 1.00 0.00 H new ATOM 0 HG3 GLU A 54 21.148 -4.357 -6.158 1.00 0.00 H new ATOM 884 N ILE A 55 17.797 -5.044 -6.805 1.00 0.00 N ATOM 885 CA ILE A 55 16.528 -4.620 -6.227 1.00 0.00 C ATOM 886 C ILE A 55 16.597 -3.131 -5.881 1.00 0.00 C ATOM 887 O ILE A 55 17.522 -2.723 -5.179 1.00 0.00 O ATOM 888 CB ILE A 55 16.184 -5.473 -4.994 1.00 0.00 C ATOM 889 CG1 ILE A 55 16.204 -6.985 -5.293 1.00 0.00 C ATOM 890 CG2 ILE A 55 14.826 -5.043 -4.418 1.00 0.00 C ATOM 891 CD1 ILE A 55 15.432 -7.388 -6.553 1.00 0.00 C ATOM 0 H ILE A 55 18.305 -5.729 -6.246 1.00 0.00 H new ATOM 0 HA ILE A 55 15.730 -4.767 -6.955 1.00 0.00 H new ATOM 0 HB ILE A 55 16.960 -5.297 -4.249 1.00 0.00 H new ATOM 0 HG12 ILE A 55 17.239 -7.310 -5.396 1.00 0.00 H new ATOM 0 HG13 ILE A 55 15.786 -7.518 -4.439 1.00 0.00 H new ATOM 0 HG21 ILE A 55 14.591 -5.653 -3.545 1.00 0.00 H new ATOM 0 HG22 ILE A 55 14.870 -3.994 -4.126 1.00 0.00 H new ATOM 0 HG23 ILE A 55 14.052 -5.177 -5.173 1.00 0.00 H new ATOM 0 HD11 ILE A 55 15.497 -8.467 -6.690 1.00 0.00 H new ATOM 0 HD12 ILE A 55 14.387 -7.098 -6.448 1.00 0.00 H new ATOM 0 HD13 ILE A 55 15.862 -6.886 -7.420 1.00 0.00 H new ATOM 903 N LYS A 56 15.636 -2.325 -6.354 1.00 0.00 N ATOM 904 CA LYS A 56 15.621 -0.891 -6.074 1.00 0.00 C ATOM 905 C LYS A 56 14.638 -0.551 -4.955 1.00 0.00 C ATOM 906 O LYS A 56 14.792 0.486 -4.314 1.00 0.00 O ATOM 907 CB LYS A 56 15.396 -0.057 -7.350 1.00 0.00 C ATOM 908 CG LYS A 56 13.924 0.175 -7.728 1.00 0.00 C ATOM 909 CD LYS A 56 13.770 1.144 -8.907 1.00 0.00 C ATOM 910 CE LYS A 56 14.187 0.522 -10.243 1.00 0.00 C ATOM 911 NZ LYS A 56 14.020 1.481 -11.350 1.00 0.00 N ATOM 0 H LYS A 56 14.860 -2.647 -6.933 1.00 0.00 H new ATOM 0 HA LYS A 56 16.610 -0.615 -5.709 1.00 0.00 H new ATOM 0 HB2 LYS A 56 15.879 0.912 -7.222 1.00 0.00 H new ATOM 0 HB3 LYS A 56 15.894 -0.554 -8.182 1.00 0.00 H new ATOM 0 HG2 LYS A 56 13.462 -0.779 -7.982 1.00 0.00 H new ATOM 0 HG3 LYS A 56 13.388 0.569 -6.865 1.00 0.00 H new ATOM 0 HD2 LYS A 56 12.732 1.469 -8.971 1.00 0.00 H new ATOM 0 HD3 LYS A 56 14.372 2.034 -8.722 1.00 0.00 H new ATOM 0 HE2 LYS A 56 15.227 0.201 -10.189 1.00 0.00 H new ATOM 0 HE3 LYS A 56 13.589 -0.368 -10.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 13.908 0.963 -12.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 13.176 2.064 -11.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 14.858 2.094 -11.408 1.00 0.00 H new ATOM 925 N GLY A 57 13.607 -1.373 -4.736 1.00 0.00 N ATOM 926 CA GLY A 57 12.558 -1.055 -3.785 1.00 0.00 C ATOM 927 C GLY A 57 11.510 -2.158 -3.722 1.00 0.00 C ATOM 928 O GLY A 57 11.729 -3.269 -4.204 1.00 0.00 O ATOM 0 H GLY A 57 13.484 -2.267 -5.212 1.00 0.00 H new ATOM 0 HA2 GLY A 57 12.994 -0.908 -2.797 1.00 0.00 H new ATOM 0 HA3 GLY A 57 12.083 -0.115 -4.066 1.00 0.00 H new ATOM 932 N TYR A 58 10.357 -1.842 -3.138 1.00 0.00 N ATOM 933 CA TYR A 58 9.192 -2.702 -3.077 1.00 0.00 C ATOM 934 C TYR A 58 7.961 -1.816 -3.192 1.00 0.00 C ATOM 935 O TYR A 58 8.057 -0.603 -2.994 1.00 0.00 O ATOM 936 CB TYR A 58 9.145 -3.456 -1.743 1.00 0.00 C ATOM 937 CG TYR A 58 10.434 -4.145 -1.338 1.00 0.00 C ATOM 938 CD1 TYR A 58 11.440 -3.410 -0.685 1.00 0.00 C ATOM 939 CD2 TYR A 58 10.663 -5.491 -1.675 1.00 0.00 C ATOM 940 CE1 TYR A 58 12.687 -3.999 -0.424 1.00 0.00 C ATOM 941 CE2 TYR A 58 11.916 -6.078 -1.423 1.00 0.00 C ATOM 942 CZ TYR A 58 12.935 -5.323 -0.817 1.00 0.00 C ATOM 943 OH TYR A 58 14.160 -5.876 -0.586 1.00 0.00 O ATOM 0 H TYR A 58 10.209 -0.944 -2.678 1.00 0.00 H new ATOM 0 HA TYR A 58 9.231 -3.435 -3.883 1.00 0.00 H new ATOM 0 HB2 TYR A 58 8.867 -2.753 -0.958 1.00 0.00 H new ATOM 0 HB3 TYR A 58 8.354 -4.204 -1.796 1.00 0.00 H new ATOM 0 HD1 TYR A 58 11.252 -2.390 -0.384 1.00 0.00 H new ATOM 0 HD2 TYR A 58 9.875 -6.075 -2.128 1.00 0.00 H new ATOM 0 HE1 TYR A 58 13.456 -3.433 0.080 1.00 0.00 H new ATOM 0 HE2 TYR A 58 12.095 -7.108 -1.695 1.00 0.00 H new ATOM 0 HH TYR A 58 14.170 -6.799 -0.916 1.00 0.00 H new ATOM 953 N GLU A 59 6.815 -2.433 -3.470 1.00 0.00 N ATOM 954 CA GLU A 59 5.516 -1.809 -3.373 1.00 0.00 C ATOM 955 C GLU A 59 4.615 -2.682 -2.510 1.00 0.00 C ATOM 956 O GLU A 59 4.735 -3.909 -2.540 1.00 0.00 O ATOM 957 CB GLU A 59 4.932 -1.518 -4.758 1.00 0.00 C ATOM 958 CG GLU A 59 4.510 -2.782 -5.519 1.00 0.00 C ATOM 959 CD GLU A 59 4.021 -2.491 -6.937 1.00 0.00 C ATOM 960 OE1 GLU A 59 3.987 -1.300 -7.314 1.00 0.00 O ATOM 961 OE2 GLU A 59 3.694 -3.480 -7.628 1.00 0.00 O ATOM 0 H GLU A 59 6.773 -3.405 -3.776 1.00 0.00 H new ATOM 0 HA GLU A 59 5.604 -0.836 -2.890 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.068 -0.863 -4.649 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.670 -0.976 -5.349 1.00 0.00 H new ATOM 0 HG2 GLU A 59 5.354 -3.470 -5.566 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.719 -3.286 -4.964 1.00 0.00 H new ATOM 968 N TYR A 60 3.739 -2.035 -1.743 1.00 0.00 N ATOM 969 CA TYR A 60 2.795 -2.641 -0.829 1.00 0.00 C ATOM 970 C TYR A 60 1.423 -2.201 -1.321 1.00 0.00 C ATOM 971 O TYR A 60 1.163 -0.999 -1.393 1.00 0.00 O ATOM 972 CB TYR A 60 3.056 -2.144 0.601 1.00 0.00 C ATOM 973 CG TYR A 60 4.514 -2.114 1.021 1.00 0.00 C ATOM 974 CD1 TYR A 60 5.275 -3.297 1.034 1.00 0.00 C ATOM 975 CD2 TYR A 60 5.118 -0.897 1.390 1.00 0.00 C ATOM 976 CE1 TYR A 60 6.642 -3.258 1.365 1.00 0.00 C ATOM 977 CE2 TYR A 60 6.464 -0.871 1.785 1.00 0.00 C ATOM 978 CZ TYR A 60 7.236 -2.041 1.740 1.00 0.00 C ATOM 979 OH TYR A 60 8.554 -1.986 2.085 1.00 0.00 O ATOM 0 H TYR A 60 3.672 -1.017 -1.749 1.00 0.00 H new ATOM 0 HA TYR A 60 2.878 -3.728 -0.804 1.00 0.00 H new ATOM 0 HB2 TYR A 60 2.646 -1.139 0.699 1.00 0.00 H new ATOM 0 HB3 TYR A 60 2.508 -2.781 1.295 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.808 -4.239 0.789 1.00 0.00 H new ATOM 0 HD2 TYR A 60 4.544 0.018 1.369 1.00 0.00 H new ATOM 0 HE1 TYR A 60 7.233 -4.161 1.331 1.00 0.00 H new ATOM 0 HE2 TYR A 60 6.907 0.053 2.125 1.00 0.00 H new ATOM 0 HH TYR A 60 8.794 -1.064 2.315 1.00 0.00 H new ATOM 989 N GLN A 61 0.577 -3.157 -1.696 1.00 0.00 N ATOM 990 CA GLN A 61 -0.742 -2.930 -2.256 1.00 0.00 C ATOM 991 C GLN A 61 -1.753 -3.485 -1.252 1.00 0.00 C ATOM 992 O GLN A 61 -1.861 -4.701 -1.095 1.00 0.00 O ATOM 993 CB GLN A 61 -0.777 -3.601 -3.633 1.00 0.00 C ATOM 994 CG GLN A 61 -2.059 -3.307 -4.413 1.00 0.00 C ATOM 995 CD GLN A 61 -1.889 -3.709 -5.876 1.00 0.00 C ATOM 996 OE1 GLN A 61 -2.219 -4.824 -6.263 1.00 0.00 O ATOM 997 NE2 GLN A 61 -1.346 -2.819 -6.704 1.00 0.00 N ATOM 0 H GLN A 61 0.805 -4.148 -1.613 1.00 0.00 H new ATOM 0 HA GLN A 61 -0.989 -1.880 -2.414 1.00 0.00 H new ATOM 0 HB2 GLN A 61 0.081 -3.265 -4.216 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -0.675 -4.679 -3.508 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -2.894 -3.852 -3.973 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -2.300 -2.246 -4.345 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -1.079 -1.897 -6.358 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -1.197 -3.059 -7.684 1.00 0.00 H new ATOM 1006 N LEU A 62 -2.438 -2.597 -0.521 1.00 0.00 N ATOM 1007 CA LEU A 62 -3.259 -2.954 0.628 1.00 0.00 C ATOM 1008 C LEU A 62 -4.611 -2.255 0.577 1.00 0.00 C ATOM 1009 O LEU A 62 -4.698 -1.103 0.155 1.00 0.00 O ATOM 1010 CB LEU A 62 -2.521 -2.655 1.949 1.00 0.00 C ATOM 1011 CG LEU A 62 -1.937 -1.229 2.066 1.00 0.00 C ATOM 1012 CD1 LEU A 62 -1.955 -0.742 3.518 1.00 0.00 C ATOM 1013 CD2 LEU A 62 -0.485 -1.171 1.578 1.00 0.00 C ATOM 0 H LEU A 62 -2.433 -1.597 -0.719 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.443 -4.028 0.587 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.211 -2.817 2.777 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.710 -3.374 2.064 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.564 -0.591 1.443 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.538 0.264 3.570 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.981 -0.729 3.885 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.358 -1.414 4.135 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.109 -0.153 1.676 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.128 -1.843 2.178 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.440 -1.476 0.532 1.00 0.00 H new ATOM 1025 N TYR A 63 -5.664 -2.949 1.016 1.00 0.00 N ATOM 1026 CA TYR A 63 -6.983 -2.375 1.143 1.00 0.00 C ATOM 1027 C TYR A 63 -7.127 -1.726 2.519 1.00 0.00 C ATOM 1028 O TYR A 63 -7.159 -2.408 3.547 1.00 0.00 O ATOM 1029 CB TYR A 63 -8.028 -3.451 0.864 1.00 0.00 C ATOM 1030 CG TYR A 63 -8.248 -3.666 -0.619 1.00 0.00 C ATOM 1031 CD1 TYR A 63 -9.053 -2.766 -1.340 1.00 0.00 C ATOM 1032 CD2 TYR A 63 -7.503 -4.635 -1.310 1.00 0.00 C ATOM 1033 CE1 TYR A 63 -9.186 -2.901 -2.731 1.00 0.00 C ATOM 1034 CE2 TYR A 63 -7.632 -4.768 -2.704 1.00 0.00 C ATOM 1035 CZ TYR A 63 -8.483 -3.906 -3.413 1.00 0.00 C ATOM 1036 OH TYR A 63 -8.568 -3.983 -4.770 1.00 0.00 O ATOM 0 H TYR A 63 -5.613 -3.930 1.292 1.00 0.00 H new ATOM 0 HA TYR A 63 -7.139 -1.585 0.409 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -7.713 -4.388 1.322 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -8.971 -3.169 1.332 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -9.569 -1.970 -0.823 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -6.828 -5.281 -0.769 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -9.831 -2.229 -3.278 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -7.077 -5.532 -3.228 1.00 0.00 H new ATOM 0 HH TYR A 63 -8.023 -4.732 -5.090 1.00 0.00 H new ATOM 1046 N VAL A 64 -7.184 -0.393 2.521 1.00 0.00 N ATOM 1047 CA VAL A 64 -7.354 0.419 3.708 1.00 0.00 C ATOM 1048 C VAL A 64 -8.839 0.744 3.875 1.00 0.00 C ATOM 1049 O VAL A 64 -9.536 1.006 2.893 1.00 0.00 O ATOM 1050 CB VAL A 64 -6.440 1.657 3.649 1.00 0.00 C ATOM 1051 CG1 VAL A 64 -6.863 2.695 2.601 1.00 0.00 C ATOM 1052 CG2 VAL A 64 -6.355 2.313 5.029 1.00 0.00 C ATOM 0 H VAL A 64 -7.110 0.159 1.667 1.00 0.00 H new ATOM 0 HA VAL A 64 -7.044 -0.124 4.601 1.00 0.00 H new ATOM 0 HB VAL A 64 -5.460 1.294 3.339 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -6.170 3.536 2.622 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -6.851 2.239 1.611 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -7.869 3.049 2.825 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -5.706 3.187 4.977 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -7.351 2.619 5.349 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -5.947 1.601 5.746 1.00 0.00 H new ATOM 1062 N TYR A 65 -9.319 0.699 5.118 1.00 0.00 N ATOM 1063 CA TYR A 65 -10.685 1.000 5.491 1.00 0.00 C ATOM 1064 C TYR A 65 -10.660 2.336 6.226 1.00 0.00 C ATOM 1065 O TYR A 65 -9.954 2.479 7.227 1.00 0.00 O ATOM 1066 CB TYR A 65 -11.251 -0.152 6.342 1.00 0.00 C ATOM 1067 CG TYR A 65 -12.765 -0.272 6.323 1.00 0.00 C ATOM 1068 CD1 TYR A 65 -13.425 -0.440 5.093 1.00 0.00 C ATOM 1069 CD2 TYR A 65 -13.503 -0.347 7.520 1.00 0.00 C ATOM 1070 CE1 TYR A 65 -14.820 -0.572 5.044 1.00 0.00 C ATOM 1071 CE2 TYR A 65 -14.898 -0.539 7.473 1.00 0.00 C ATOM 1072 CZ TYR A 65 -15.557 -0.625 6.236 1.00 0.00 C ATOM 1073 OH TYR A 65 -16.916 -0.623 6.181 1.00 0.00 O ATOM 0 H TYR A 65 -8.739 0.441 5.916 1.00 0.00 H new ATOM 0 HA TYR A 65 -11.344 1.089 4.627 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -10.822 -1.090 5.990 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -10.924 -0.018 7.373 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -12.852 -0.468 4.178 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -13.001 -0.258 8.472 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -15.325 -0.633 4.091 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -15.462 -0.620 8.391 1.00 0.00 H new ATOM 0 HH TYR A 65 -17.221 0.153 5.666 1.00 0.00 H new ATOM 1083 N ALA A 66 -11.387 3.327 5.708 1.00 0.00 N ATOM 1084 CA ALA A 66 -11.425 4.676 6.247 1.00 0.00 C ATOM 1085 C ALA A 66 -12.840 5.214 6.082 1.00 0.00 C ATOM 1086 O ALA A 66 -13.433 5.042 5.021 1.00 0.00 O ATOM 1087 CB ALA A 66 -10.409 5.558 5.516 1.00 0.00 C ATOM 0 H ALA A 66 -11.976 3.206 4.884 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.160 4.675 7.304 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -10.443 6.568 5.925 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -9.408 5.146 5.648 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -10.651 5.589 4.454 1.00 0.00 H new ATOM 1093 N SER A 67 -13.403 5.809 7.137 1.00 0.00 N ATOM 1094 CA SER A 67 -14.781 6.287 7.168 1.00 0.00 C ATOM 1095 C SER A 67 -15.750 5.232 6.616 1.00 0.00 C ATOM 1096 O SER A 67 -16.631 5.545 5.818 1.00 0.00 O ATOM 1097 CB SER A 67 -14.880 7.620 6.419 1.00 0.00 C ATOM 1098 OG SER A 67 -14.051 8.581 7.052 1.00 0.00 O ATOM 0 H SER A 67 -12.901 5.974 8.009 1.00 0.00 H new ATOM 0 HA SER A 67 -15.077 6.459 8.203 1.00 0.00 H new ATOM 0 HB2 SER A 67 -14.576 7.489 5.381 1.00 0.00 H new ATOM 0 HB3 SER A 67 -15.913 7.967 6.407 1.00 0.00 H new ATOM 0 HG SER A 67 -14.231 9.468 6.675 1.00 0.00 H new ATOM 1104 N ASP A 68 -15.564 3.980 7.048 1.00 0.00 N ATOM 1105 CA ASP A 68 -16.381 2.832 6.670 1.00 0.00 C ATOM 1106 C ASP A 68 -16.314 2.493 5.168 1.00 0.00 C ATOM 1107 O ASP A 68 -17.082 1.653 4.699 1.00 0.00 O ATOM 1108 CB ASP A 68 -17.824 3.034 7.164 1.00 0.00 C ATOM 1109 CG ASP A 68 -18.591 1.721 7.294 1.00 0.00 C ATOM 1110 OD1 ASP A 68 -18.314 1.005 8.278 1.00 0.00 O ATOM 1111 OD2 ASP A 68 -19.457 1.471 6.425 1.00 0.00 O ATOM 0 H ASP A 68 -14.813 3.734 7.693 1.00 0.00 H new ATOM 0 HA ASP A 68 -15.961 1.956 7.165 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -17.806 3.537 8.131 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -18.352 3.691 6.473 1.00 0.00 H new ATOM 1116 N LYS A 69 -15.387 3.097 4.416 1.00 0.00 N ATOM 1117 CA LYS A 69 -15.207 2.899 2.985 1.00 0.00 C ATOM 1118 C LYS A 69 -13.897 2.148 2.776 1.00 0.00 C ATOM 1119 O LYS A 69 -12.910 2.436 3.454 1.00 0.00 O ATOM 1120 CB LYS A 69 -15.139 4.260 2.267 1.00 0.00 C ATOM 1121 CG LYS A 69 -16.288 4.503 1.285 1.00 0.00 C ATOM 1122 CD LYS A 69 -17.608 4.799 2.002 1.00 0.00 C ATOM 1123 CE LYS A 69 -18.678 5.143 0.958 1.00 0.00 C ATOM 1124 NZ LYS A 69 -19.945 5.540 1.592 1.00 0.00 N ATOM 0 H LYS A 69 -14.720 3.761 4.808 1.00 0.00 H new ATOM 0 HA LYS A 69 -16.045 2.333 2.577 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -15.139 5.054 3.014 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -14.194 4.329 1.729 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -16.035 5.339 0.632 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -16.411 3.627 0.648 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -17.919 3.935 2.589 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -17.481 5.628 2.698 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -18.320 5.952 0.322 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -18.848 4.281 0.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -20.645 5.765 0.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -20.299 4.758 2.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -19.787 6.377 2.188 1.00 0.00 H new ATOM 1138 N LEU A 70 -13.888 1.203 1.833 1.00 0.00 N ATOM 1139 CA LEU A 70 -12.720 0.412 1.482 1.00 0.00 C ATOM 1140 C LEU A 70 -12.068 1.012 0.235 1.00 0.00 C ATOM 1141 O LEU A 70 -12.710 1.098 -0.813 1.00 0.00 O ATOM 1142 CB LEU A 70 -13.161 -1.038 1.244 1.00 0.00 C ATOM 1143 CG LEU A 70 -11.970 -2.005 1.175 1.00 0.00 C ATOM 1144 CD1 LEU A 70 -11.515 -2.392 2.585 1.00 0.00 C ATOM 1145 CD2 LEU A 70 -12.358 -3.259 0.384 1.00 0.00 C ATOM 0 H LEU A 70 -14.714 0.966 1.284 1.00 0.00 H new ATOM 0 HA LEU A 70 -11.986 0.422 2.287 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -13.832 -1.348 2.045 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -13.727 -1.095 0.314 1.00 0.00 H new ATOM 0 HG LEU A 70 -11.144 -1.507 0.667 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -10.670 -3.078 2.519 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -11.214 -1.497 3.129 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -12.336 -2.878 3.112 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -11.507 -3.939 0.340 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -13.194 -3.755 0.876 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -12.649 -2.976 -0.628 1.00 0.00 H new ATOM 1157 N PHE A 71 -10.802 1.418 0.355 1.00 0.00 N ATOM 1158 CA PHE A 71 -9.985 1.938 -0.734 1.00 0.00 C ATOM 1159 C PHE A 71 -8.724 1.088 -0.846 1.00 0.00 C ATOM 1160 O PHE A 71 -8.285 0.511 0.145 1.00 0.00 O ATOM 1161 CB PHE A 71 -9.582 3.383 -0.439 1.00 0.00 C ATOM 1162 CG PHE A 71 -10.702 4.400 -0.530 1.00 0.00 C ATOM 1163 CD1 PHE A 71 -11.433 4.751 0.621 1.00 0.00 C ATOM 1164 CD2 PHE A 71 -10.844 5.163 -1.703 1.00 0.00 C ATOM 1165 CE1 PHE A 71 -12.269 5.881 0.606 1.00 0.00 C ATOM 1166 CE2 PHE A 71 -11.670 6.298 -1.713 1.00 0.00 C ATOM 1167 CZ PHE A 71 -12.389 6.656 -0.561 1.00 0.00 C ATOM 0 H PHE A 71 -10.304 1.391 1.245 1.00 0.00 H new ATOM 0 HA PHE A 71 -10.553 1.905 -1.664 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -9.155 3.426 0.563 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -8.794 3.672 -1.134 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -11.351 4.152 1.516 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -10.315 4.875 -2.600 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -12.821 6.155 1.493 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -11.753 6.897 -2.608 1.00 0.00 H new ATOM 0 HZ PHE A 71 -13.032 7.524 -0.571 1.00 0.00 H new ATOM 1177 N ARG A 72 -8.124 1.036 -2.035 1.00 0.00 N ATOM 1178 CA ARG A 72 -6.837 0.397 -2.255 1.00 0.00 C ATOM 1179 C ARG A 72 -5.748 1.465 -2.205 1.00 0.00 C ATOM 1180 O ARG A 72 -5.855 2.470 -2.906 1.00 0.00 O ATOM 1181 CB ARG A 72 -6.835 -0.317 -3.611 1.00 0.00 C ATOM 1182 CG ARG A 72 -5.847 -1.489 -3.602 1.00 0.00 C ATOM 1183 CD ARG A 72 -5.830 -2.171 -4.974 1.00 0.00 C ATOM 1184 NE ARG A 72 -5.403 -3.571 -4.863 1.00 0.00 N ATOM 1185 CZ ARG A 72 -5.361 -4.432 -5.889 1.00 0.00 C ATOM 1186 NH1 ARG A 72 -5.663 -4.022 -7.124 1.00 0.00 N ATOM 1187 NH2 ARG A 72 -5.019 -5.704 -5.667 1.00 0.00 N ATOM 0 H ARG A 72 -8.527 1.443 -2.879 1.00 0.00 H new ATOM 0 HA ARG A 72 -6.649 -0.347 -1.481 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.837 -0.681 -3.838 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.565 0.387 -4.398 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -4.848 -1.131 -3.352 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -6.130 -2.208 -2.833 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -6.824 -2.125 -5.419 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -5.157 -1.634 -5.642 1.00 0.00 H new ATOM 0 HE ARG A 72 -5.119 -3.911 -3.944 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -5.927 -3.051 -7.289 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -5.630 -4.680 -7.902 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -4.792 -6.014 -4.722 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -4.985 -6.366 -6.443 1.00 0.00 H new ATOM 1201 N ALA A 73 -4.707 1.242 -1.403 1.00 0.00 N ATOM 1202 CA ALA A 73 -3.509 2.063 -1.351 1.00 0.00 C ATOM 1203 C ALA A 73 -2.346 1.228 -1.872 1.00 0.00 C ATOM 1204 O ALA A 73 -2.123 0.113 -1.399 1.00 0.00 O ATOM 1205 CB ALA A 73 -3.257 2.508 0.090 1.00 0.00 C ATOM 0 H ALA A 73 -4.679 0.457 -0.752 1.00 0.00 H new ATOM 0 HA ALA A 73 -3.622 2.957 -1.965 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -2.358 3.124 0.129 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -4.109 3.087 0.446 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.124 1.631 0.724 1.00 0.00 H new ATOM 1211 N ASP A 74 -1.627 1.771 -2.854 1.00 0.00 N ATOM 1212 CA ASP A 74 -0.410 1.219 -3.417 1.00 0.00 C ATOM 1213 C ASP A 74 0.708 2.171 -3.027 1.00 0.00 C ATOM 1214 O ASP A 74 0.843 3.258 -3.592 1.00 0.00 O ATOM 1215 CB ASP A 74 -0.583 1.074 -4.927 1.00 0.00 C ATOM 1216 CG ASP A 74 0.544 0.317 -5.622 1.00 0.00 C ATOM 1217 OD1 ASP A 74 1.668 0.306 -5.078 1.00 0.00 O ATOM 1218 OD2 ASP A 74 0.238 -0.251 -6.697 1.00 0.00 O ATOM 0 H ASP A 74 -1.896 2.650 -3.295 1.00 0.00 H new ATOM 0 HA ASP A 74 -0.174 0.223 -3.042 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -1.524 0.561 -5.125 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -0.663 2.068 -5.368 1.00 0.00 H new ATOM 1223 N ILE A 75 1.449 1.773 -2.001 1.00 0.00 N ATOM 1224 CA ILE A 75 2.591 2.488 -1.449 1.00 0.00 C ATOM 1225 C ILE A 75 3.846 1.898 -2.074 1.00 0.00 C ATOM 1226 O ILE A 75 3.873 0.695 -2.317 1.00 0.00 O ATOM 1227 CB ILE A 75 2.623 2.313 0.083 1.00 0.00 C ATOM 1228 CG1 ILE A 75 1.290 2.691 0.749 1.00 0.00 C ATOM 1229 CG2 ILE A 75 3.781 3.101 0.714 1.00 0.00 C ATOM 1230 CD1 ILE A 75 0.794 4.071 0.322 1.00 0.00 C ATOM 0 H ILE A 75 1.260 0.900 -1.508 1.00 0.00 H new ATOM 0 HA ILE A 75 2.525 3.554 -1.667 1.00 0.00 H new ATOM 0 HB ILE A 75 2.786 1.251 0.265 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.537 1.944 0.498 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.410 2.671 1.832 1.00 0.00 H new ATOM 0 HG21 ILE A 75 3.774 2.955 1.794 1.00 0.00 H new ATOM 0 HG22 ILE A 75 4.727 2.746 0.306 1.00 0.00 H new ATOM 0 HG23 ILE A 75 3.664 4.161 0.490 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -0.150 4.289 0.821 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.532 4.824 0.598 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.646 4.086 -0.758 1.00 0.00 H new ATOM 1242 N SER A 76 4.885 2.710 -2.282 1.00 0.00 N ATOM 1243 CA SER A 76 6.194 2.213 -2.677 1.00 0.00 C ATOM 1244 C SER A 76 7.231 2.634 -1.651 1.00 0.00 C ATOM 1245 O SER A 76 7.081 3.690 -1.040 1.00 0.00 O ATOM 1246 CB SER A 76 6.550 2.691 -4.081 1.00 0.00 C ATOM 1247 OG SER A 76 5.702 2.043 -5.006 1.00 0.00 O ATOM 0 H SER A 76 4.838 3.724 -2.181 1.00 0.00 H new ATOM 0 HA SER A 76 6.175 1.124 -2.708 1.00 0.00 H new ATOM 0 HB2 SER A 76 6.433 3.772 -4.154 1.00 0.00 H new ATOM 0 HB3 SER A 76 7.593 2.468 -4.303 1.00 0.00 H new ATOM 0 HG SER A 76 6.103 2.080 -5.899 1.00 0.00 H new ATOM 1253 N GLU A 77 8.254 1.792 -1.477 1.00 0.00 N ATOM 1254 CA GLU A 77 9.439 1.990 -0.660 1.00 0.00 C ATOM 1255 C GLU A 77 10.630 1.835 -1.595 1.00 0.00 C ATOM 1256 O GLU A 77 10.764 0.792 -2.233 1.00 0.00 O ATOM 1257 CB GLU A 77 9.445 0.956 0.473 1.00 0.00 C ATOM 1258 CG GLU A 77 10.657 1.068 1.414 1.00 0.00 C ATOM 1259 CD GLU A 77 11.713 0.002 1.130 1.00 0.00 C ATOM 1260 OE1 GLU A 77 12.476 0.198 0.162 1.00 0.00 O ATOM 1261 OE2 GLU A 77 11.734 -0.996 1.880 1.00 0.00 O ATOM 0 H GLU A 77 8.269 0.885 -1.944 1.00 0.00 H new ATOM 0 HA GLU A 77 9.470 2.972 -0.188 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.532 1.067 1.058 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.426 -0.044 0.039 1.00 0.00 H new ATOM 0 HG2 GLU A 77 11.105 2.056 1.310 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.321 0.977 2.447 1.00 0.00 H new ATOM 1268 N ASP A 78 11.455 2.877 -1.704 1.00 0.00 N ATOM 1269 CA ASP A 78 12.662 2.877 -2.511 1.00 0.00 C ATOM 1270 C ASP A 78 13.822 2.570 -1.576 1.00 0.00 C ATOM 1271 O ASP A 78 14.097 3.351 -0.670 1.00 0.00 O ATOM 1272 CB ASP A 78 12.828 4.243 -3.180 1.00 0.00 C ATOM 1273 CG ASP A 78 11.800 4.437 -4.288 1.00 0.00 C ATOM 1274 OD1 ASP A 78 12.104 4.010 -5.422 1.00 0.00 O ATOM 1275 OD2 ASP A 78 10.724 4.995 -3.981 1.00 0.00 O ATOM 0 H ASP A 78 11.294 3.761 -1.221 1.00 0.00 H new ATOM 0 HA ASP A 78 12.619 2.130 -3.304 1.00 0.00 H new ATOM 0 HB2 ASP A 78 12.719 5.032 -2.436 1.00 0.00 H new ATOM 0 HB3 ASP A 78 13.833 4.330 -3.592 1.00 0.00 H new ATOM 1280 N TYR A 79 14.483 1.434 -1.791 1.00 0.00 N ATOM 1281 CA TYR A 79 15.477 0.845 -0.907 1.00 0.00 C ATOM 1282 C TYR A 79 16.690 1.760 -0.774 1.00 0.00 C ATOM 1283 O TYR A 79 17.171 1.998 0.331 1.00 0.00 O ATOM 1284 CB TYR A 79 15.858 -0.533 -1.477 1.00 0.00 C ATOM 1285 CG TYR A 79 16.490 -1.526 -0.524 1.00 0.00 C ATOM 1286 CD1 TYR A 79 15.758 -1.962 0.598 1.00 0.00 C ATOM 1287 CD2 TYR A 79 17.614 -2.263 -0.945 1.00 0.00 C ATOM 1288 CE1 TYR A 79 16.136 -3.130 1.282 1.00 0.00 C ATOM 1289 CE2 TYR A 79 17.997 -3.427 -0.255 1.00 0.00 C ATOM 1290 CZ TYR A 79 17.244 -3.872 0.844 1.00 0.00 C ATOM 1291 OH TYR A 79 17.576 -5.042 1.460 1.00 0.00 O ATOM 0 H TYR A 79 14.329 0.874 -2.630 1.00 0.00 H new ATOM 0 HA TYR A 79 15.072 0.722 0.097 1.00 0.00 H new ATOM 0 HB2 TYR A 79 14.958 -0.988 -1.891 1.00 0.00 H new ATOM 0 HB3 TYR A 79 16.547 -0.376 -2.307 1.00 0.00 H new ATOM 0 HD1 TYR A 79 14.902 -1.396 0.934 1.00 0.00 H new ATOM 0 HD2 TYR A 79 18.184 -1.933 -1.801 1.00 0.00 H new ATOM 0 HE1 TYR A 79 15.574 -3.457 2.145 1.00 0.00 H new ATOM 0 HE2 TYR A 79 18.870 -3.979 -0.570 1.00 0.00 H new ATOM 0 HH TYR A 79 18.368 -5.425 1.029 1.00 0.00 H new ATOM 1301 N LYS A 80 17.177 2.280 -1.905 1.00 0.00 N ATOM 1302 CA LYS A 80 18.370 3.112 -1.941 1.00 0.00 C ATOM 1303 C LYS A 80 18.126 4.415 -1.173 1.00 0.00 C ATOM 1304 O LYS A 80 18.917 4.794 -0.314 1.00 0.00 O ATOM 1305 CB LYS A 80 18.772 3.371 -3.403 1.00 0.00 C ATOM 1306 CG LYS A 80 20.236 3.822 -3.549 1.00 0.00 C ATOM 1307 CD LYS A 80 21.264 2.687 -3.391 1.00 0.00 C ATOM 1308 CE LYS A 80 21.225 1.696 -4.564 1.00 0.00 C ATOM 1309 NZ LYS A 80 22.278 0.673 -4.443 1.00 0.00 N ATOM 0 H LYS A 80 16.750 2.132 -2.819 1.00 0.00 H new ATOM 0 HA LYS A 80 19.197 2.597 -1.452 1.00 0.00 H new ATOM 0 HB2 LYS A 80 18.617 2.462 -3.984 1.00 0.00 H new ATOM 0 HB3 LYS A 80 18.118 4.134 -3.825 1.00 0.00 H new ATOM 0 HG2 LYS A 80 20.367 4.282 -4.528 1.00 0.00 H new ATOM 0 HG3 LYS A 80 20.443 4.591 -2.805 1.00 0.00 H new ATOM 0 HD2 LYS A 80 22.264 3.114 -3.312 1.00 0.00 H new ATOM 0 HD3 LYS A 80 21.072 2.153 -2.461 1.00 0.00 H new ATOM 0 HE2 LYS A 80 20.249 1.212 -4.600 1.00 0.00 H new ATOM 0 HE3 LYS A 80 21.348 2.237 -5.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 22.111 -0.081 -5.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 23.206 1.108 -4.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 22.261 0.269 -3.485 1.00 0.00 H new ATOM 1323 N THR A 81 17.019 5.095 -1.482 1.00 0.00 N ATOM 1324 CA THR A 81 16.579 6.293 -0.787 1.00 0.00 C ATOM 1325 C THR A 81 16.270 5.970 0.676 1.00 0.00 C ATOM 1326 O THR A 81 16.449 6.798 1.565 1.00 0.00 O ATOM 1327 CB THR A 81 15.311 6.802 -1.494 1.00 0.00 C ATOM 1328 OG1 THR A 81 15.408 6.546 -2.884 1.00 0.00 O ATOM 1329 CG2 THR A 81 15.094 8.297 -1.253 1.00 0.00 C ATOM 0 H THR A 81 16.395 4.817 -2.239 1.00 0.00 H new ATOM 0 HA THR A 81 17.360 7.053 -0.807 1.00 0.00 H new ATOM 0 HB THR A 81 14.455 6.271 -1.079 1.00 0.00 H new ATOM 0 HG1 THR A 81 14.599 6.869 -3.333 1.00 0.00 H new ATOM 0 HG21 THR A 81 14.189 8.621 -1.768 1.00 0.00 H new ATOM 0 HG22 THR A 81 14.989 8.482 -0.184 1.00 0.00 H new ATOM 0 HG23 THR A 81 15.949 8.855 -1.636 1.00 0.00 H new ATOM 1337 N ARG A 82 15.742 4.765 0.890 1.00 0.00 N ATOM 1338 CA ARG A 82 15.149 4.286 2.117 1.00 0.00 C ATOM 1339 C ARG A 82 14.035 5.228 2.565 1.00 0.00 C ATOM 1340 O ARG A 82 13.949 5.617 3.728 1.00 0.00 O ATOM 1341 CB ARG A 82 16.219 4.032 3.185 1.00 0.00 C ATOM 1342 CG ARG A 82 15.716 2.914 4.102 1.00 0.00 C ATOM 1343 CD ARG A 82 15.999 3.207 5.581 1.00 0.00 C ATOM 1344 NE ARG A 82 17.437 3.265 5.873 1.00 0.00 N ATOM 1345 CZ ARG A 82 18.205 2.211 6.185 1.00 0.00 C ATOM 1346 NH1 ARG A 82 17.710 0.970 6.131 1.00 0.00 N ATOM 1347 NH2 ARG A 82 19.474 2.410 6.555 1.00 0.00 N ATOM 0 H ARG A 82 15.721 4.058 0.155 1.00 0.00 H new ATOM 0 HA ARG A 82 14.681 3.317 1.943 1.00 0.00 H new ATOM 0 HB2 ARG A 82 17.162 3.747 2.719 1.00 0.00 H new ATOM 0 HB3 ARG A 82 16.408 4.939 3.759 1.00 0.00 H new ATOM 0 HG2 ARG A 82 14.644 2.783 3.958 1.00 0.00 H new ATOM 0 HG3 ARG A 82 16.192 1.974 3.822 1.00 0.00 H new ATOM 0 HD2 ARG A 82 15.536 4.155 5.856 1.00 0.00 H new ATOM 0 HD3 ARG A 82 15.536 2.436 6.197 1.00 0.00 H new ATOM 0 HE ARG A 82 17.887 4.179 5.836 1.00 0.00 H new ATOM 0 HH11 ARG A 82 16.741 0.819 5.851 1.00 0.00 H new ATOM 0 HH12 ARG A 82 18.302 0.174 6.370 1.00 0.00 H new ATOM 0 HH21 ARG A 82 19.850 3.357 6.598 1.00 0.00 H new ATOM 0 HH22 ARG A 82 20.066 1.615 6.794 1.00 0.00 H new ATOM 1361 N GLY A 83 13.162 5.569 1.616 1.00 0.00 N ATOM 1362 CA GLY A 83 11.998 6.409 1.838 1.00 0.00 C ATOM 1363 C GLY A 83 10.817 5.799 1.099 1.00 0.00 C ATOM 1364 O GLY A 83 11.023 5.054 0.136 1.00 0.00 O ATOM 0 H GLY A 83 13.253 5.257 0.649 1.00 0.00 H new ATOM 0 HA2 GLY A 83 11.781 6.483 2.904 1.00 0.00 H new ATOM 0 HA3 GLY A 83 12.187 7.421 1.480 1.00 0.00 H new ATOM 1368 N ARG A 84 9.595 6.092 1.562 1.00 0.00 N ATOM 1369 CA ARG A 84 8.372 5.605 0.954 1.00 0.00 C ATOM 1370 C ARG A 84 7.543 6.752 0.395 1.00 0.00 C ATOM 1371 O ARG A 84 7.810 7.918 0.681 1.00 0.00 O ATOM 1372 CB ARG A 84 7.524 4.853 1.977 1.00 0.00 C ATOM 1373 CG ARG A 84 8.306 3.803 2.770 1.00 0.00 C ATOM 1374 CD ARG A 84 7.324 2.836 3.437 1.00 0.00 C ATOM 1375 NE ARG A 84 8.032 1.800 4.201 1.00 0.00 N ATOM 1376 CZ ARG A 84 8.440 1.919 5.473 1.00 0.00 C ATOM 1377 NH1 ARG A 84 8.242 3.054 6.151 1.00 0.00 N ATOM 1378 NH2 ARG A 84 9.056 0.890 6.061 1.00 0.00 N ATOM 0 H ARG A 84 9.437 6.681 2.379 1.00 0.00 H new ATOM 0 HA ARG A 84 8.660 4.935 0.144 1.00 0.00 H new ATOM 0 HB2 ARG A 84 7.088 5.570 2.672 1.00 0.00 H new ATOM 0 HB3 ARG A 84 6.697 4.365 1.462 1.00 0.00 H new ATOM 0 HG2 ARG A 84 8.978 3.257 2.108 1.00 0.00 H new ATOM 0 HG3 ARG A 84 8.926 4.288 3.524 1.00 0.00 H new ATOM 0 HD2 ARG A 84 6.659 3.389 4.100 1.00 0.00 H new ATOM 0 HD3 ARG A 84 6.699 2.367 2.677 1.00 0.00 H new ATOM 0 HE ARG A 84 8.229 0.919 3.726 1.00 0.00 H new ATOM 0 HH11 ARG A 84 7.776 3.842 5.701 1.00 0.00 H new ATOM 0 HH12 ARG A 84 8.557 3.132 7.118 1.00 0.00 H new ATOM 0 HH21 ARG A 84 9.212 0.025 5.543 1.00 0.00 H new ATOM 0 HH22 ARG A 84 9.371 0.969 7.028 1.00 0.00 H new ATOM 1392 N LYS A 85 6.505 6.394 -0.359 1.00 0.00 N ATOM 1393 CA LYS A 85 5.597 7.322 -1.000 1.00 0.00 C ATOM 1394 C LYS A 85 4.336 6.617 -1.476 1.00 0.00 C ATOM 1395 O LYS A 85 4.375 5.441 -1.831 1.00 0.00 O ATOM 1396 CB LYS A 85 6.312 8.031 -2.154 1.00 0.00 C ATOM 1397 CG LYS A 85 6.717 7.082 -3.294 1.00 0.00 C ATOM 1398 CD LYS A 85 8.087 7.505 -3.833 1.00 0.00 C ATOM 1399 CE LYS A 85 8.333 7.047 -5.275 1.00 0.00 C ATOM 1400 NZ LYS A 85 8.312 5.582 -5.402 1.00 0.00 N ATOM 0 H LYS A 85 6.272 5.418 -0.542 1.00 0.00 H new ATOM 0 HA LYS A 85 5.288 8.071 -0.271 1.00 0.00 H new ATOM 0 HB2 LYS A 85 5.661 8.809 -2.552 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.203 8.527 -1.770 1.00 0.00 H new ATOM 0 HG2 LYS A 85 6.756 6.054 -2.932 1.00 0.00 H new ATOM 0 HG3 LYS A 85 5.974 7.112 -4.091 1.00 0.00 H new ATOM 0 HD2 LYS A 85 8.171 8.591 -3.784 1.00 0.00 H new ATOM 0 HD3 LYS A 85 8.866 7.095 -3.190 1.00 0.00 H new ATOM 0 HE2 LYS A 85 7.572 7.478 -5.926 1.00 0.00 H new ATOM 0 HE3 LYS A 85 9.296 7.426 -5.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 8.566 5.314 -6.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 8.996 5.166 -4.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 7.359 5.228 -5.183 1.00 0.00 H new ATOM 1414 N LEU A 86 3.218 7.345 -1.482 1.00 0.00 N ATOM 1415 CA LEU A 86 1.997 6.904 -2.126 1.00 0.00 C ATOM 1416 C LEU A 86 2.270 6.788 -3.627 1.00 0.00 C ATOM 1417 O LEU A 86 2.584 7.793 -4.261 1.00 0.00 O ATOM 1418 CB LEU A 86 0.903 7.940 -1.838 1.00 0.00 C ATOM 1419 CG LEU A 86 -0.454 7.603 -2.475 1.00 0.00 C ATOM 1420 CD1 LEU A 86 -1.038 6.336 -1.846 1.00 0.00 C ATOM 1421 CD2 LEU A 86 -1.408 8.786 -2.278 1.00 0.00 C ATOM 0 H LEU A 86 3.142 8.259 -1.036 1.00 0.00 H new ATOM 0 HA LEU A 86 1.667 5.935 -1.752 1.00 0.00 H new ATOM 0 HB2 LEU A 86 0.775 8.029 -0.759 1.00 0.00 H new ATOM 0 HB3 LEU A 86 1.233 8.913 -2.201 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.319 7.420 -3.541 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.999 6.110 -2.308 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.354 5.502 -2.005 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.177 6.492 -0.776 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.373 8.554 -2.728 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.540 8.974 -1.212 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.990 9.673 -2.754 1.00 0.00 H new ATOM 1433 N LEU A 87 2.166 5.584 -4.195 1.00 0.00 N ATOM 1434 CA LEU A 87 2.283 5.388 -5.631 1.00 0.00 C ATOM 1435 C LEU A 87 0.917 5.637 -6.263 1.00 0.00 C ATOM 1436 O LEU A 87 0.799 6.454 -7.174 1.00 0.00 O ATOM 1437 CB LEU A 87 2.808 3.977 -5.943 1.00 0.00 C ATOM 1438 CG LEU A 87 3.451 3.883 -7.340 1.00 0.00 C ATOM 1439 CD1 LEU A 87 4.843 4.530 -7.387 1.00 0.00 C ATOM 1440 CD2 LEU A 87 3.545 2.411 -7.766 1.00 0.00 C ATOM 0 H LEU A 87 1.999 4.725 -3.670 1.00 0.00 H new ATOM 0 HA LEU A 87 3.002 6.091 -6.051 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.541 3.691 -5.189 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.986 3.264 -5.876 1.00 0.00 H new ATOM 0 HG LEU A 87 2.815 4.434 -8.032 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.253 4.437 -8.393 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.763 5.585 -7.123 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.502 4.028 -6.679 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.000 2.347 -8.754 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.156 1.863 -7.049 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.546 1.977 -7.798 1.00 0.00 H new ATOM 1452 N ARG A 88 -0.115 4.931 -5.784 1.00 0.00 N ATOM 1453 CA ARG A 88 -1.494 5.146 -6.210 1.00 0.00 C ATOM 1454 C ARG A 88 -2.421 4.973 -5.012 1.00 0.00 C ATOM 1455 O ARG A 88 -2.090 4.264 -4.063 1.00 0.00 O ATOM 1456 CB ARG A 88 -1.934 4.173 -7.322 1.00 0.00 C ATOM 1457 CG ARG A 88 -1.225 4.340 -8.674 1.00 0.00 C ATOM 1458 CD ARG A 88 0.041 3.485 -8.809 1.00 0.00 C ATOM 1459 NE ARG A 88 -0.228 2.043 -8.741 1.00 0.00 N ATOM 1460 CZ ARG A 88 -0.637 1.277 -9.758 1.00 0.00 C ATOM 1461 NH1 ARG A 88 -0.967 1.822 -10.934 1.00 0.00 N ATOM 1462 NH2 ARG A 88 -0.700 -0.046 -9.577 1.00 0.00 N ATOM 0 H ARG A 88 -0.011 4.193 -5.088 1.00 0.00 H new ATOM 0 HA ARG A 88 -1.552 6.157 -6.614 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -1.773 3.154 -6.972 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -3.006 4.290 -7.478 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -1.918 4.078 -9.474 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -0.962 5.389 -8.811 1.00 0.00 H new ATOM 0 HD2 ARG A 88 0.527 3.714 -9.757 1.00 0.00 H new ATOM 0 HD3 ARG A 88 0.741 3.756 -8.019 1.00 0.00 H new ATOM 0 HE ARG A 88 -0.091 1.586 -7.840 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -0.908 2.832 -11.062 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -1.278 1.227 -11.702 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -0.439 -0.451 -8.678 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -1.009 -0.651 -10.338 1.00 0.00 H new ATOM 1476 N PHE A 89 -3.593 5.606 -5.080 1.00 0.00 N ATOM 1477 CA PHE A 89 -4.714 5.373 -4.187 1.00 0.00 C ATOM 1478 C PHE A 89 -5.921 5.244 -5.103 1.00 0.00 C ATOM 1479 O PHE A 89 -6.043 6.036 -6.037 1.00 0.00 O ATOM 1480 CB PHE A 89 -4.896 6.546 -3.221 1.00 0.00 C ATOM 1481 CG PHE A 89 -5.659 6.190 -1.960 1.00 0.00 C ATOM 1482 CD1 PHE A 89 -7.059 6.295 -1.937 1.00 0.00 C ATOM 1483 CD2 PHE A 89 -4.963 5.861 -0.780 1.00 0.00 C ATOM 1484 CE1 PHE A 89 -7.747 6.174 -0.719 1.00 0.00 C ATOM 1485 CE2 PHE A 89 -5.657 5.736 0.437 1.00 0.00 C ATOM 1486 CZ PHE A 89 -7.048 5.926 0.472 1.00 0.00 C ATOM 0 H PHE A 89 -3.788 6.318 -5.784 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.566 4.487 -3.570 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.915 6.931 -2.944 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -5.420 7.351 -3.736 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -7.605 6.468 -2.853 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.895 5.705 -0.810 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -8.822 6.273 -0.699 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.121 5.494 1.343 1.00 0.00 H new ATOM 0 HZ PHE A 89 -7.578 5.881 1.412 1.00 0.00 H new ATOM 1496 N ASN A 90 -6.778 4.246 -4.892 1.00 0.00 N ATOM 1497 CA ASN A 90 -7.898 3.961 -5.765 1.00 0.00 C ATOM 1498 C ASN A 90 -9.080 3.545 -4.906 1.00 0.00 C ATOM 1499 O ASN A 90 -8.896 3.049 -3.796 1.00 0.00 O ATOM 1500 CB ASN A 90 -7.527 2.816 -6.708 1.00 0.00 C ATOM 1501 CG ASN A 90 -6.371 3.164 -7.642 1.00 0.00 C ATOM 1502 OD1 ASN A 90 -5.230 2.790 -7.393 1.00 0.00 O ATOM 1503 ND2 ASN A 90 -6.652 3.877 -8.729 1.00 0.00 N ATOM 0 H ASN A 90 -6.707 3.609 -4.098 1.00 0.00 H new ATOM 0 HA ASN A 90 -8.152 4.843 -6.354 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -7.259 1.939 -6.118 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -8.399 2.546 -7.303 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -5.909 4.127 -9.381 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -7.611 4.174 -8.910 1.00 0.00 H new ATOM 1510 N GLY A 91 -10.291 3.728 -5.428 1.00 0.00 N ATOM 1511 CA GLY A 91 -11.527 3.348 -4.765 1.00 0.00 C ATOM 1512 C GLY A 91 -12.461 4.552 -4.616 1.00 0.00 C ATOM 1513 O GLY A 91 -12.237 5.575 -5.268 1.00 0.00 O ATOM 0 H GLY A 91 -10.439 4.154 -6.343 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -12.025 2.565 -5.337 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -11.304 2.932 -3.782 1.00 0.00 H new ATOM 1517 N PRO A 92 -13.496 4.452 -3.767 1.00 0.00 N ATOM 1518 CA PRO A 92 -13.791 3.287 -2.946 1.00 0.00 C ATOM 1519 C PRO A 92 -14.249 2.121 -3.825 1.00 0.00 C ATOM 1520 O PRO A 92 -14.755 2.341 -4.923 1.00 0.00 O ATOM 1521 CB PRO A 92 -14.895 3.737 -1.989 1.00 0.00 C ATOM 1522 CG PRO A 92 -15.632 4.814 -2.787 1.00 0.00 C ATOM 1523 CD PRO A 92 -14.516 5.474 -3.598 1.00 0.00 C ATOM 0 HA PRO A 92 -12.917 2.932 -2.399 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -15.555 2.913 -1.720 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -14.486 4.134 -1.060 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -16.398 4.384 -3.432 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -16.131 5.529 -2.133 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -14.886 5.821 -4.563 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -14.116 6.344 -3.078 1.00 0.00 H new ATOM 1531 N VAL A 93 -14.065 0.886 -3.352 1.00 0.00 N ATOM 1532 CA VAL A 93 -14.558 -0.314 -4.026 1.00 0.00 C ATOM 1533 C VAL A 93 -15.126 -1.270 -2.974 1.00 0.00 C ATOM 1534 O VAL A 93 -14.483 -1.479 -1.949 1.00 0.00 O ATOM 1535 CB VAL A 93 -13.454 -1.006 -4.854 1.00 0.00 C ATOM 1536 CG1 VAL A 93 -13.252 -0.332 -6.215 1.00 0.00 C ATOM 1537 CG2 VAL A 93 -12.101 -1.088 -4.133 1.00 0.00 C ATOM 0 H VAL A 93 -13.566 0.691 -2.484 1.00 0.00 H new ATOM 0 HA VAL A 93 -15.340 -0.025 -4.728 1.00 0.00 H new ATOM 0 HB VAL A 93 -13.817 -2.024 -4.997 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -12.466 -0.850 -6.765 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -14.181 -0.374 -6.783 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -12.965 0.709 -6.066 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -11.376 -1.586 -4.776 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -11.750 -0.082 -3.902 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -12.215 -1.654 -3.208 1.00 0.00 H new ATOM 1547 N PRO A 94 -16.319 -1.850 -3.180 1.00 0.00 N ATOM 1548 CA PRO A 94 -16.860 -2.833 -2.256 1.00 0.00 C ATOM 1549 C PRO A 94 -16.084 -4.148 -2.401 1.00 0.00 C ATOM 1550 O PRO A 94 -15.538 -4.423 -3.472 1.00 0.00 O ATOM 1551 CB PRO A 94 -18.325 -2.998 -2.667 1.00 0.00 C ATOM 1552 CG PRO A 94 -18.289 -2.741 -4.174 1.00 0.00 C ATOM 1553 CD PRO A 94 -17.201 -1.675 -4.323 1.00 0.00 C ATOM 0 HA PRO A 94 -16.777 -2.531 -1.212 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -18.699 -3.995 -2.436 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -18.972 -2.288 -2.152 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -18.045 -3.646 -4.731 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -19.251 -2.388 -4.545 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -16.657 -1.799 -5.260 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -17.633 -0.674 -4.335 1.00 0.00 H new ATOM 1561 N PRO A 95 -16.033 -4.985 -1.355 1.00 0.00 N ATOM 1562 CA PRO A 95 -15.484 -6.325 -1.465 1.00 0.00 C ATOM 1563 C PRO A 95 -16.414 -7.187 -2.331 1.00 0.00 C ATOM 1564 O PRO A 95 -17.610 -6.904 -2.416 1.00 0.00 O ATOM 1565 CB PRO A 95 -15.409 -6.840 -0.025 1.00 0.00 C ATOM 1566 CG PRO A 95 -16.575 -6.122 0.658 1.00 0.00 C ATOM 1567 CD PRO A 95 -16.599 -4.759 -0.036 1.00 0.00 C ATOM 0 HA PRO A 95 -14.503 -6.351 -1.940 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -15.519 -7.923 0.022 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -14.455 -6.595 0.442 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -17.514 -6.659 0.523 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -16.415 -6.025 1.732 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -17.616 -4.372 -0.106 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -16.016 -4.025 0.521 1.00 0.00 H new ATOM 1575 N PRO A 96 -15.897 -8.247 -2.971 1.00 0.00 N ATOM 1576 CA PRO A 96 -16.711 -9.159 -3.760 1.00 0.00 C ATOM 1577 C PRO A 96 -17.673 -9.944 -2.861 1.00 0.00 C ATOM 1578 O PRO A 96 -18.775 -10.264 -3.356 1.00 0.00 O ATOM 1579 CB PRO A 96 -15.714 -10.078 -4.470 1.00 0.00 C ATOM 1580 CG PRO A 96 -14.516 -10.099 -3.517 1.00 0.00 C ATOM 1581 CD PRO A 96 -14.510 -8.682 -2.944 1.00 0.00 C ATOM 1582 OXT PRO A 96 -17.283 -10.234 -1.706 1.00 0.00 O ATOM 0 HA PRO A 96 -17.341 -8.634 -4.478 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -16.125 -11.076 -4.622 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -15.440 -9.693 -5.452 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -14.634 -10.850 -2.736 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -13.587 -10.327 -4.040 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -14.115 -8.671 -1.928 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -13.880 -8.021 -3.538 1.00 0.00 H new TER 1590 PRO A 96