USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 679 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+ 140:sc= 0.00801 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS :FLIP no HE2:sc= -0.0365 F(o=-0.94,f=-0.037) USER MOD Single : A 14 ASN : amide:sc= -0.222 K(o=-0.22,f=-1.9!) USER MOD Single : A 17 GLN : amide:sc= -0.197 K(o=-0.2,f=-1.1) USER MOD Single : A 20 MET CE :methyl -128:sc= -0.368 (180deg=-1.2) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.561 K(o=-0.56,f=-2.9!) USER MOD Single : A 41 GLN : amide:sc= -0.191 X(o=-0.19,f=-0.14) USER MOD Single : A 47 LYS NZ :NH3+ 179:sc= -1.73 (180deg=-1.78) USER MOD Single : A 48 MET CE :methyl -170:sc= -3.04! (180deg=-3.1!) USER MOD Single : A 50 MET CE :methyl -110:sc= -0.419 (180deg=-0.585) USER MOD Single : A 52 GLN : amide:sc= -1.77! C(o=-1.8!,f=-2.3!) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot 119:sc= 0.0401 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.105 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -0.045 K(o=-0.045,f=-2.4!) USER MOD Single : A 75 GLN : amide:sc= -1.13 K(o=-1.1,f=-5.1!) USER MOD Single : A 77 LYS NZ :NH3+ 148:sc= 1.25 (180deg=-0.398) USER MOD Single : A 79 MET CE :methyl 175:sc= -2.11 (180deg=-2.19) USER MOD Single : A 87 GLN : amide:sc= -0.0185 K(o=-0.019,f=-0.9) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 168:sc= -0.249 USER MOD Single : A 93 SER OG : rot 43:sc= 0.34 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 28.496 -13.752 17.764 1.00 0.00 N ATOM 2 CA GLY A 1 29.338 -12.585 17.951 1.00 0.00 C ATOM 3 C GLY A 1 28.912 -11.418 17.083 1.00 0.00 C ATOM 4 O GLY A 1 28.554 -11.599 15.919 1.00 0.00 O ATOM 0 H1 GLY A 1 29.085 -14.609 17.766 1.00 0.00 H new ATOM 0 H2 GLY A 1 27.802 -13.807 18.537 1.00 0.00 H new ATOM 0 H3 GLY A 1 27.996 -13.677 16.855 1.00 0.00 H new ATOM 0 HA2 GLY A 1 29.310 -12.284 18.998 1.00 0.00 H new ATOM 0 HA3 GLY A 1 30.371 -12.846 17.722 1.00 0.00 H new ATOM 8 N SER A 2 28.950 -10.216 17.649 1.00 0.00 N ATOM 9 CA SER A 2 28.560 -9.015 16.920 1.00 0.00 C ATOM 10 C SER A 2 29.160 -7.769 17.565 1.00 0.00 C ATOM 11 O SER A 2 29.262 -7.678 18.789 1.00 0.00 O ATOM 12 CB SER A 2 27.035 -8.894 16.873 1.00 0.00 C ATOM 13 OG SER A 2 26.639 -7.675 16.270 1.00 0.00 O ATOM 0 H SER A 2 29.247 -10.048 18.610 1.00 0.00 H new ATOM 0 HA SER A 2 28.943 -9.097 15.903 1.00 0.00 H new ATOM 0 HB2 SER A 2 26.618 -9.732 16.315 1.00 0.00 H new ATOM 0 HB3 SER A 2 26.631 -8.951 17.884 1.00 0.00 H new ATOM 0 HG SER A 2 25.661 -7.622 16.250 1.00 0.00 H new ATOM 19 N SER A 3 29.555 -6.811 16.733 1.00 0.00 N ATOM 20 CA SER A 3 30.148 -5.572 17.220 1.00 0.00 C ATOM 21 C SER A 3 29.109 -4.457 17.276 1.00 0.00 C ATOM 22 O SER A 3 29.377 -3.322 16.883 1.00 0.00 O ATOM 23 CB SER A 3 31.315 -5.153 16.323 1.00 0.00 C ATOM 24 OG SER A 3 32.376 -6.089 16.396 1.00 0.00 O ATOM 0 H SER A 3 29.475 -6.869 15.718 1.00 0.00 H new ATOM 0 HA SER A 3 30.520 -5.749 18.229 1.00 0.00 H new ATOM 0 HB2 SER A 3 30.972 -5.067 15.292 1.00 0.00 H new ATOM 0 HB3 SER A 3 31.673 -4.168 16.623 1.00 0.00 H new ATOM 0 HG SER A 3 33.108 -5.799 15.813 1.00 0.00 H new ATOM 30 N GLY A 4 27.919 -4.789 17.768 1.00 0.00 N ATOM 31 CA GLY A 4 26.856 -3.806 17.866 1.00 0.00 C ATOM 32 C GLY A 4 26.271 -3.447 16.515 1.00 0.00 C ATOM 33 O GLY A 4 26.995 -3.349 15.524 1.00 0.00 O ATOM 0 H GLY A 4 27.672 -5.721 18.100 1.00 0.00 H new ATOM 0 HA2 GLY A 4 26.066 -4.193 18.509 1.00 0.00 H new ATOM 0 HA3 GLY A 4 27.242 -2.905 18.342 1.00 0.00 H new ATOM 37 N SER A 5 24.957 -3.252 16.473 1.00 0.00 N ATOM 38 CA SER A 5 24.274 -2.908 15.231 1.00 0.00 C ATOM 39 C SER A 5 23.759 -1.472 15.275 1.00 0.00 C ATOM 40 O SER A 5 23.024 -1.092 16.187 1.00 0.00 O ATOM 41 CB SER A 5 23.113 -3.871 14.978 1.00 0.00 C ATOM 42 OG SER A 5 22.576 -3.692 13.679 1.00 0.00 O ATOM 0 H SER A 5 24.344 -3.326 17.285 1.00 0.00 H new ATOM 0 HA SER A 5 24.991 -2.994 14.415 1.00 0.00 H new ATOM 0 HB2 SER A 5 23.457 -4.899 15.094 1.00 0.00 H new ATOM 0 HB3 SER A 5 22.334 -3.710 15.723 1.00 0.00 H new ATOM 0 HG SER A 5 21.837 -4.320 13.541 1.00 0.00 H new ATOM 48 N SER A 6 24.149 -0.679 14.282 1.00 0.00 N ATOM 49 CA SER A 6 23.731 0.715 14.208 1.00 0.00 C ATOM 50 C SER A 6 22.349 0.835 13.572 1.00 0.00 C ATOM 51 O SER A 6 22.000 0.072 12.673 1.00 0.00 O ATOM 52 CB SER A 6 24.746 1.533 13.407 1.00 0.00 C ATOM 53 OG SER A 6 25.896 1.819 14.184 1.00 0.00 O ATOM 0 H SER A 6 24.754 -0.979 13.518 1.00 0.00 H new ATOM 0 HA SER A 6 23.680 1.107 15.224 1.00 0.00 H new ATOM 0 HB2 SER A 6 25.036 0.983 12.512 1.00 0.00 H new ATOM 0 HB3 SER A 6 24.287 2.464 13.075 1.00 0.00 H new ATOM 0 HG SER A 6 26.530 2.341 13.650 1.00 0.00 H new ATOM 59 N GLY A 7 21.567 1.800 14.047 1.00 0.00 N ATOM 60 CA GLY A 7 20.233 2.003 13.514 1.00 0.00 C ATOM 61 C GLY A 7 19.187 2.130 14.604 1.00 0.00 C ATOM 62 O GLY A 7 18.602 1.135 15.033 1.00 0.00 O ATOM 0 H GLY A 7 21.834 2.444 14.791 1.00 0.00 H new ATOM 0 HA2 GLY A 7 20.224 2.903 12.899 1.00 0.00 H new ATOM 0 HA3 GLY A 7 19.975 1.169 12.862 1.00 0.00 H new ATOM 66 N HIS A 8 18.950 3.358 15.054 1.00 0.00 N ATOM 67 CA HIS A 8 17.967 3.612 16.102 1.00 0.00 C ATOM 68 C HIS A 8 17.026 4.744 15.702 1.00 0.00 C ATOM 69 O HIS A 8 17.255 5.433 14.708 1.00 0.00 O ATOM 70 CB HIS A 8 18.669 3.957 17.416 1.00 0.00 C ATOM 71 CG HIS A 8 19.720 5.014 17.274 1.00 0.00 C ATOM 72 ND1 HIS A 8 19.841 6.029 16.386 1.00 0.00 N flip ATOM 73 CD2 HIS A 8 20.815 5.104 18.108 1.00 0.00 C flip ATOM 74 CE1 HIS A 8 20.993 6.708 16.698 1.00 0.00 C flip ATOM 75 NE2 HIS A 8 21.562 6.130 17.741 1.00 0.00 N flip ATOM 0 H HIS A 8 19.425 4.193 14.710 1.00 0.00 H new ATOM 0 HA HIS A 8 17.378 2.706 16.240 1.00 0.00 H new ATOM 0 HB2 HIS A 8 17.925 4.291 18.139 1.00 0.00 H new ATOM 0 HB3 HIS A 8 19.126 3.054 17.822 1.00 0.00 H new ATOM 0 HD1 HIS A 8 19.196 6.248 15.627 1.00 0.00 H new ATOM 0 HD2 HIS A 8 21.028 4.440 18.932 1.00 0.00 H new ATOM 0 HE1 HIS A 8 21.372 7.574 16.176 1.00 0.00 H new ATOM 84 N GLY A 9 15.966 4.930 16.482 1.00 0.00 N ATOM 85 CA GLY A 9 15.006 5.980 16.192 1.00 0.00 C ATOM 86 C GLY A 9 13.999 5.568 15.136 1.00 0.00 C ATOM 87 O GLY A 9 14.365 4.994 14.110 1.00 0.00 O ATOM 0 H GLY A 9 15.754 4.373 17.310 1.00 0.00 H new ATOM 0 HA2 GLY A 9 14.479 6.249 17.107 1.00 0.00 H new ATOM 0 HA3 GLY A 9 15.537 6.871 15.856 1.00 0.00 H new ATOM 91 N ASP A 10 12.728 5.861 15.387 1.00 0.00 N ATOM 92 CA ASP A 10 11.665 5.517 14.451 1.00 0.00 C ATOM 93 C ASP A 10 11.283 6.721 13.596 1.00 0.00 C ATOM 94 O ASP A 10 11.513 6.736 12.388 1.00 0.00 O ATOM 95 CB ASP A 10 10.438 5.002 15.205 1.00 0.00 C ATOM 96 CG ASP A 10 10.745 3.775 16.041 1.00 0.00 C ATOM 97 OD1 ASP A 10 11.919 3.600 16.429 1.00 0.00 O ATOM 98 OD2 ASP A 10 9.812 2.988 16.305 1.00 0.00 O ATOM 0 H ASP A 10 12.409 6.336 16.231 1.00 0.00 H new ATOM 0 HA ASP A 10 12.035 4.730 13.794 1.00 0.00 H new ATOM 0 HB2 ASP A 10 10.054 5.792 15.851 1.00 0.00 H new ATOM 0 HB3 ASP A 10 9.650 4.764 14.491 1.00 0.00 H new ATOM 103 N GLY A 11 10.696 7.731 14.233 1.00 0.00 N ATOM 104 CA GLY A 11 10.291 8.925 13.515 1.00 0.00 C ATOM 105 C GLY A 11 9.332 9.785 14.315 1.00 0.00 C ATOM 106 O GLY A 11 8.533 9.287 15.108 1.00 0.00 O ATOM 0 H GLY A 11 10.494 7.743 15.233 1.00 0.00 H new ATOM 0 HA2 GLY A 11 11.175 9.511 13.262 1.00 0.00 H new ATOM 0 HA3 GLY A 11 9.819 8.638 12.575 1.00 0.00 H new ATOM 110 N PRO A 12 9.407 11.108 14.111 1.00 0.00 N ATOM 111 CA PRO A 12 8.547 12.067 14.811 1.00 0.00 C ATOM 112 C PRO A 12 7.094 11.980 14.358 1.00 0.00 C ATOM 113 O PRO A 12 6.184 12.393 15.076 1.00 0.00 O ATOM 114 CB PRO A 12 9.146 13.424 14.431 1.00 0.00 C ATOM 115 CG PRO A 12 9.829 13.185 13.129 1.00 0.00 C ATOM 116 CD PRO A 12 10.337 11.771 13.181 1.00 0.00 C ATOM 0 HA PRO A 12 8.521 11.883 15.885 1.00 0.00 H new ATOM 0 HB2 PRO A 12 8.372 14.186 14.338 1.00 0.00 H new ATOM 0 HB3 PRO A 12 9.848 13.773 15.188 1.00 0.00 H new ATOM 0 HG2 PRO A 12 9.140 13.321 12.296 1.00 0.00 H new ATOM 0 HG3 PRO A 12 10.648 13.889 12.983 1.00 0.00 H new ATOM 0 HD2 PRO A 12 10.323 11.303 12.197 1.00 0.00 H new ATOM 0 HD3 PRO A 12 11.365 11.726 13.541 1.00 0.00 H new ATOM 124 N GLY A 13 6.883 11.440 13.161 1.00 0.00 N ATOM 125 CA GLY A 13 5.537 11.309 12.634 1.00 0.00 C ATOM 126 C GLY A 13 5.324 9.995 11.909 1.00 0.00 C ATOM 127 O GLY A 13 6.236 9.175 11.816 1.00 0.00 O ATOM 0 H GLY A 13 7.620 11.091 12.548 1.00 0.00 H new ATOM 0 HA2 GLY A 13 4.821 11.390 13.451 1.00 0.00 H new ATOM 0 HA3 GLY A 13 5.336 12.134 11.951 1.00 0.00 H new ATOM 131 N ASN A 14 4.115 9.794 11.395 1.00 0.00 N ATOM 132 CA ASN A 14 3.784 8.569 10.676 1.00 0.00 C ATOM 133 C ASN A 14 4.327 8.610 9.251 1.00 0.00 C ATOM 134 O ASN A 14 4.320 9.657 8.604 1.00 0.00 O ATOM 135 CB ASN A 14 2.269 8.361 10.651 1.00 0.00 C ATOM 136 CG ASN A 14 1.771 7.583 11.854 1.00 0.00 C ATOM 137 OD1 ASN A 14 2.504 6.782 12.435 1.00 0.00 O ATOM 138 ND2 ASN A 14 0.520 7.817 12.233 1.00 0.00 N ATOM 0 H ASN A 14 3.348 10.463 11.463 1.00 0.00 H new ATOM 0 HA ASN A 14 4.250 7.734 11.199 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.773 9.331 10.618 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.993 7.831 9.739 1.00 0.00 H new ATOM 0 HD21 ASN A 14 0.130 7.324 13.036 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -0.051 8.490 11.721 1.00 0.00 H new ATOM 145 N ALA A 15 4.797 7.465 8.769 1.00 0.00 N ATOM 146 CA ALA A 15 5.341 7.369 7.420 1.00 0.00 C ATOM 147 C ALA A 15 4.245 7.051 6.407 1.00 0.00 C ATOM 148 O ALA A 15 3.255 6.398 6.734 1.00 0.00 O ATOM 149 CB ALA A 15 6.435 6.314 7.365 1.00 0.00 C ATOM 0 H ALA A 15 4.812 6.590 9.293 1.00 0.00 H new ATOM 0 HA ALA A 15 5.771 8.336 7.159 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.832 6.254 6.352 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.236 6.584 8.053 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.022 5.347 7.651 1.00 0.00 H new ATOM 155 N VAL A 16 4.430 7.519 5.177 1.00 0.00 N ATOM 156 CA VAL A 16 3.457 7.284 4.116 1.00 0.00 C ATOM 157 C VAL A 16 4.148 7.076 2.773 1.00 0.00 C ATOM 158 O VAL A 16 5.042 7.835 2.401 1.00 0.00 O ATOM 159 CB VAL A 16 2.465 8.456 3.994 1.00 0.00 C ATOM 160 CG1 VAL A 16 3.156 9.683 3.420 1.00 0.00 C ATOM 161 CG2 VAL A 16 1.272 8.057 3.140 1.00 0.00 C ATOM 0 H VAL A 16 5.244 8.063 4.890 1.00 0.00 H new ATOM 0 HA VAL A 16 2.909 6.380 4.384 1.00 0.00 H new ATOM 0 HB VAL A 16 2.101 8.707 4.990 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.439 10.501 3.341 1.00 0.00 H new ATOM 0 HG12 VAL A 16 3.975 9.980 4.076 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.550 9.449 2.431 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.581 8.897 3.065 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.615 7.778 2.144 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.763 7.209 3.599 1.00 0.00 H new ATOM 171 N GLN A 17 3.727 6.043 2.051 1.00 0.00 N ATOM 172 CA GLN A 17 4.306 5.736 0.748 1.00 0.00 C ATOM 173 C GLN A 17 3.214 5.512 -0.294 1.00 0.00 C ATOM 174 O GLN A 17 2.310 4.703 -0.094 1.00 0.00 O ATOM 175 CB GLN A 17 5.198 4.497 0.843 1.00 0.00 C ATOM 176 CG GLN A 17 6.613 4.800 1.308 1.00 0.00 C ATOM 177 CD GLN A 17 7.372 5.678 0.333 1.00 0.00 C ATOM 178 OE1 GLN A 17 7.038 5.745 -0.850 1.00 0.00 O ATOM 179 NE2 GLN A 17 8.401 6.358 0.826 1.00 0.00 N ATOM 0 H GLN A 17 2.988 5.405 2.346 1.00 0.00 H new ATOM 0 HA GLN A 17 4.910 6.588 0.437 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.743 3.784 1.531 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.241 4.015 -0.134 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.574 5.292 2.280 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.154 3.864 1.446 1.00 0.00 H new ATOM 0 HE21 GLN A 17 8.643 6.273 1.813 1.00 0.00 H new ATOM 0 HE22 GLN A 17 8.949 6.966 0.217 1.00 0.00 H new ATOM 188 N GLU A 18 3.307 6.237 -1.405 1.00 0.00 N ATOM 189 CA GLU A 18 2.326 6.118 -2.477 1.00 0.00 C ATOM 190 C GLU A 18 2.863 5.250 -3.611 1.00 0.00 C ATOM 191 O GLU A 18 4.032 5.349 -3.983 1.00 0.00 O ATOM 192 CB GLU A 18 1.952 7.501 -3.012 1.00 0.00 C ATOM 193 CG GLU A 18 1.179 8.350 -2.016 1.00 0.00 C ATOM 194 CD GLU A 18 0.864 9.734 -2.551 1.00 0.00 C ATOM 195 OE1 GLU A 18 1.658 10.252 -3.363 1.00 0.00 O ATOM 196 OE2 GLU A 18 -0.179 10.298 -2.157 1.00 0.00 O ATOM 0 H GLU A 18 4.050 6.912 -1.586 1.00 0.00 H new ATOM 0 HA GLU A 18 1.435 5.642 -2.068 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.862 8.029 -3.298 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.355 7.382 -3.916 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.249 7.844 -1.757 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.758 8.443 -1.097 1.00 0.00 H new ATOM 203 N ILE A 19 2.000 4.399 -4.157 1.00 0.00 N ATOM 204 CA ILE A 19 2.387 3.514 -5.248 1.00 0.00 C ATOM 205 C ILE A 19 1.268 3.390 -6.278 1.00 0.00 C ATOM 206 O ILE A 19 0.097 3.258 -5.923 1.00 0.00 O ATOM 207 CB ILE A 19 2.753 2.110 -4.732 1.00 0.00 C ATOM 208 CG1 ILE A 19 1.981 1.797 -3.448 1.00 0.00 C ATOM 209 CG2 ILE A 19 4.252 2.007 -4.495 1.00 0.00 C ATOM 210 CD1 ILE A 19 2.657 2.313 -2.197 1.00 0.00 C ATOM 0 H ILE A 19 1.028 4.304 -3.861 1.00 0.00 H new ATOM 0 HA ILE A 19 3.264 3.958 -5.719 1.00 0.00 H new ATOM 0 HB ILE A 19 2.474 1.377 -5.488 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.984 2.231 -3.518 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.854 0.718 -3.364 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.495 1.009 -4.130 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.782 2.191 -5.430 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.555 2.747 -3.755 1.00 0.00 H new ATOM 0 HD11 ILE A 19 2.055 2.056 -1.326 1.00 0.00 H new ATOM 0 HD12 ILE A 19 3.644 1.859 -2.103 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.760 3.396 -2.260 1.00 0.00 H new ATOM 222 N MET A 20 1.638 3.431 -7.553 1.00 0.00 N ATOM 223 CA MET A 20 0.666 3.320 -8.635 1.00 0.00 C ATOM 224 C MET A 20 0.213 1.874 -8.811 1.00 0.00 C ATOM 225 O MET A 20 1.034 0.972 -8.976 1.00 0.00 O ATOM 226 CB MET A 20 1.264 3.842 -9.942 1.00 0.00 C ATOM 227 CG MET A 20 1.977 5.177 -9.794 1.00 0.00 C ATOM 228 SD MET A 20 0.880 6.583 -10.056 1.00 0.00 S ATOM 229 CE MET A 20 0.416 6.337 -11.768 1.00 0.00 C ATOM 0 H MET A 20 2.604 3.540 -7.863 1.00 0.00 H new ATOM 0 HA MET A 20 -0.202 3.925 -8.374 1.00 0.00 H new ATOM 0 HB2 MET A 20 1.967 3.105 -10.330 1.00 0.00 H new ATOM 0 HB3 MET A 20 0.469 3.944 -10.681 1.00 0.00 H new ATOM 0 HG2 MET A 20 2.414 5.243 -8.797 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.800 5.226 -10.507 1.00 0.00 H new ATOM 0 HE1 MET A 20 0.593 7.255 -12.328 1.00 0.00 H new ATOM 0 HE2 MET A 20 1.013 5.531 -12.195 1.00 0.00 H new ATOM 0 HE3 MET A 20 -0.641 6.075 -11.825 1.00 0.00 H new ATOM 239 N ILE A 21 -1.099 1.662 -8.776 1.00 0.00 N ATOM 240 CA ILE A 21 -1.660 0.325 -8.933 1.00 0.00 C ATOM 241 C ILE A 21 -2.551 0.245 -10.168 1.00 0.00 C ATOM 242 O ILE A 21 -3.371 1.126 -10.430 1.00 0.00 O ATOM 243 CB ILE A 21 -2.477 -0.091 -7.696 1.00 0.00 C ATOM 244 CG1 ILE A 21 -1.847 0.483 -6.425 1.00 0.00 C ATOM 245 CG2 ILE A 21 -2.571 -1.607 -7.609 1.00 0.00 C ATOM 246 CD1 ILE A 21 -0.508 -0.131 -6.083 1.00 0.00 C ATOM 0 H ILE A 21 -1.792 2.398 -8.641 1.00 0.00 H new ATOM 0 HA ILE A 21 -0.819 -0.359 -9.049 1.00 0.00 H new ATOM 0 HB ILE A 21 -3.485 0.311 -7.793 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -1.724 1.559 -6.545 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.531 0.331 -5.590 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -3.151 -1.886 -6.729 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -3.060 -1.993 -8.504 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.569 -2.030 -7.532 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.121 0.324 -5.171 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.628 -1.204 -5.931 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.192 0.044 -6.900 1.00 0.00 H new ATOM 258 N PRO A 22 -2.391 -0.836 -10.944 1.00 0.00 N ATOM 259 CA PRO A 22 -3.174 -1.059 -12.163 1.00 0.00 C ATOM 260 C PRO A 22 -4.637 -1.370 -11.863 1.00 0.00 C ATOM 261 O PRO A 22 -4.946 -2.342 -11.175 1.00 0.00 O ATOM 262 CB PRO A 22 -2.492 -2.268 -12.807 1.00 0.00 C ATOM 263 CG PRO A 22 -1.846 -2.987 -11.674 1.00 0.00 C ATOM 264 CD PRO A 22 -1.433 -1.926 -10.692 1.00 0.00 C ATOM 0 HA PRO A 22 -3.196 -0.175 -12.801 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.214 -2.904 -13.319 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -1.757 -1.959 -13.550 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -2.537 -3.695 -11.216 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -0.984 -3.559 -12.016 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -1.493 -2.284 -9.664 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -0.405 -1.604 -10.857 1.00 0.00 H new ATOM 272 N ALA A 23 -5.533 -0.538 -12.385 1.00 0.00 N ATOM 273 CA ALA A 23 -6.963 -0.726 -12.175 1.00 0.00 C ATOM 274 C ALA A 23 -7.365 -2.179 -12.406 1.00 0.00 C ATOM 275 O ALA A 23 -8.398 -2.633 -11.913 1.00 0.00 O ATOM 276 CB ALA A 23 -7.756 0.195 -13.090 1.00 0.00 C ATOM 0 H ALA A 23 -5.293 0.272 -12.956 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.190 -0.474 -11.139 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.822 0.044 -12.923 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -7.498 1.232 -12.875 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.516 -0.030 -14.129 1.00 0.00 H new ATOM 282 N SER A 24 -6.544 -2.903 -13.160 1.00 0.00 N ATOM 283 CA SER A 24 -6.817 -4.303 -13.460 1.00 0.00 C ATOM 284 C SER A 24 -6.637 -5.171 -12.218 1.00 0.00 C ATOM 285 O SER A 24 -7.496 -5.987 -11.886 1.00 0.00 O ATOM 286 CB SER A 24 -5.896 -4.796 -14.578 1.00 0.00 C ATOM 287 OG SER A 24 -5.979 -3.955 -15.716 1.00 0.00 O ATOM 0 H SER A 24 -5.684 -2.543 -13.574 1.00 0.00 H new ATOM 0 HA SER A 24 -7.853 -4.382 -13.790 1.00 0.00 H new ATOM 0 HB2 SER A 24 -4.867 -4.827 -14.219 1.00 0.00 H new ATOM 0 HB3 SER A 24 -6.168 -5.815 -14.854 1.00 0.00 H new ATOM 0 HG SER A 24 -5.380 -4.291 -16.415 1.00 0.00 H new ATOM 293 N LYS A 25 -5.512 -4.988 -11.535 1.00 0.00 N ATOM 294 CA LYS A 25 -5.216 -5.751 -10.328 1.00 0.00 C ATOM 295 C LYS A 25 -5.726 -5.025 -9.087 1.00 0.00 C ATOM 296 O LYS A 25 -5.650 -5.549 -7.976 1.00 0.00 O ATOM 297 CB LYS A 25 -3.710 -5.992 -10.209 1.00 0.00 C ATOM 298 CG LYS A 25 -3.077 -6.530 -11.480 1.00 0.00 C ATOM 299 CD LYS A 25 -3.149 -8.047 -11.539 1.00 0.00 C ATOM 300 CE LYS A 25 -2.814 -8.567 -12.929 1.00 0.00 C ATOM 301 NZ LYS A 25 -3.417 -9.905 -13.181 1.00 0.00 N ATOM 0 H LYS A 25 -4.790 -4.317 -11.797 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.726 -6.711 -10.401 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.221 -5.056 -9.938 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.526 -6.695 -9.396 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.583 -6.107 -12.347 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -2.036 -6.212 -11.532 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.457 -8.474 -10.813 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.149 -8.376 -11.257 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -3.173 -7.860 -13.677 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.732 -8.629 -13.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.166 -10.224 -14.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.056 -10.586 -12.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.452 -9.841 -13.098 1.00 0.00 H new ATOM 315 N ALA A 26 -6.246 -3.818 -9.285 1.00 0.00 N ATOM 316 CA ALA A 26 -6.771 -3.023 -8.182 1.00 0.00 C ATOM 317 C ALA A 26 -7.956 -3.718 -7.519 1.00 0.00 C ATOM 318 O ALA A 26 -8.039 -3.792 -6.294 1.00 0.00 O ATOM 319 CB ALA A 26 -7.175 -1.641 -8.673 1.00 0.00 C ATOM 0 H ALA A 26 -6.315 -3.370 -10.199 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.983 -2.916 -7.437 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -7.565 -1.058 -7.839 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.305 -1.136 -9.093 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.944 -1.738 -9.439 1.00 0.00 H new ATOM 325 N GLY A 27 -8.872 -4.225 -8.338 1.00 0.00 N ATOM 326 CA GLY A 27 -10.041 -4.907 -7.813 1.00 0.00 C ATOM 327 C GLY A 27 -9.692 -6.218 -7.137 1.00 0.00 C ATOM 328 O GLY A 27 -10.559 -6.880 -6.565 1.00 0.00 O ATOM 0 H GLY A 27 -8.826 -4.176 -9.356 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.547 -4.257 -7.099 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -10.743 -5.096 -8.625 1.00 0.00 H new ATOM 332 N LEU A 28 -8.420 -6.596 -7.203 1.00 0.00 N ATOM 333 CA LEU A 28 -7.959 -7.838 -6.593 1.00 0.00 C ATOM 334 C LEU A 28 -7.409 -7.586 -5.193 1.00 0.00 C ATOM 335 O LEU A 28 -7.696 -8.333 -4.257 1.00 0.00 O ATOM 336 CB LEU A 28 -6.884 -8.489 -7.465 1.00 0.00 C ATOM 337 CG LEU A 28 -7.390 -9.360 -8.615 1.00 0.00 C ATOM 338 CD1 LEU A 28 -7.730 -8.504 -9.825 1.00 0.00 C ATOM 339 CD2 LEU A 28 -6.356 -10.415 -8.980 1.00 0.00 C ATOM 0 H LEU A 28 -7.690 -6.060 -7.673 1.00 0.00 H new ATOM 0 HA LEU A 28 -8.812 -8.512 -6.513 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -6.256 -7.701 -7.881 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.247 -9.100 -6.826 1.00 0.00 H new ATOM 0 HG LEU A 28 -8.298 -9.867 -8.288 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.088 -9.142 -10.633 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.506 -7.787 -9.557 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.839 -7.968 -10.154 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.733 -11.026 -9.800 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.431 -9.927 -9.287 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.162 -11.049 -8.115 1.00 0.00 H new ATOM 351 N VAL A 29 -6.618 -6.527 -5.055 1.00 0.00 N ATOM 352 CA VAL A 29 -6.030 -6.173 -3.768 1.00 0.00 C ATOM 353 C VAL A 29 -7.058 -5.512 -2.857 1.00 0.00 C ATOM 354 O VAL A 29 -6.897 -5.489 -1.637 1.00 0.00 O ATOM 355 CB VAL A 29 -4.829 -5.225 -3.941 1.00 0.00 C ATOM 356 CG1 VAL A 29 -5.156 -4.126 -4.941 1.00 0.00 C ATOM 357 CG2 VAL A 29 -4.421 -4.633 -2.601 1.00 0.00 C ATOM 0 H VAL A 29 -6.369 -5.899 -5.819 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.688 -7.101 -3.311 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.988 -5.799 -4.330 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -4.296 -3.466 -5.050 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -5.396 -4.572 -5.906 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -6.011 -3.552 -4.584 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.571 -3.966 -2.742 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.257 -4.073 -2.181 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.143 -5.436 -1.918 1.00 0.00 H new ATOM 367 N ILE A 30 -8.116 -4.977 -3.458 1.00 0.00 N ATOM 368 CA ILE A 30 -9.172 -4.317 -2.701 1.00 0.00 C ATOM 369 C ILE A 30 -10.341 -5.263 -2.449 1.00 0.00 C ATOM 370 O ILE A 30 -10.748 -5.474 -1.308 1.00 0.00 O ATOM 371 CB ILE A 30 -9.688 -3.063 -3.430 1.00 0.00 C ATOM 372 CG1 ILE A 30 -8.527 -2.122 -3.757 1.00 0.00 C ATOM 373 CG2 ILE A 30 -10.732 -2.351 -2.584 1.00 0.00 C ATOM 374 CD1 ILE A 30 -8.960 -0.839 -4.430 1.00 0.00 C ATOM 0 H ILE A 30 -8.264 -4.988 -4.467 1.00 0.00 H new ATOM 0 HA ILE A 30 -8.737 -4.019 -1.747 1.00 0.00 H new ATOM 0 HB ILE A 30 -10.155 -3.371 -4.365 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -7.997 -1.879 -2.836 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.820 -2.641 -4.404 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -11.087 -1.467 -3.113 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.570 -3.023 -2.398 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -10.289 -2.052 -1.634 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -8.085 -0.221 -4.632 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -9.464 -1.072 -5.368 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -9.643 -0.298 -3.776 1.00 0.00 H new ATOM 386 N GLY A 31 -10.877 -5.832 -3.525 1.00 0.00 N ATOM 387 CA GLY A 31 -11.993 -6.751 -3.400 1.00 0.00 C ATOM 388 C GLY A 31 -13.334 -6.045 -3.453 1.00 0.00 C ATOM 389 O GLY A 31 -13.448 -4.953 -4.010 1.00 0.00 O ATOM 0 H GLY A 31 -10.558 -5.673 -4.481 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -11.943 -7.490 -4.200 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -11.909 -7.294 -2.459 1.00 0.00 H new ATOM 393 N LYS A 32 -14.353 -6.670 -2.873 1.00 0.00 N ATOM 394 CA LYS A 32 -15.693 -6.096 -2.856 1.00 0.00 C ATOM 395 C LYS A 32 -15.948 -5.346 -1.552 1.00 0.00 C ATOM 396 O LYS A 32 -16.324 -5.943 -0.545 1.00 0.00 O ATOM 397 CB LYS A 32 -16.743 -7.194 -3.039 1.00 0.00 C ATOM 398 CG LYS A 32 -18.170 -6.673 -3.065 1.00 0.00 C ATOM 399 CD LYS A 32 -19.171 -7.773 -2.752 1.00 0.00 C ATOM 400 CE LYS A 32 -20.433 -7.213 -2.115 1.00 0.00 C ATOM 401 NZ LYS A 32 -21.321 -8.293 -1.601 1.00 0.00 N ATOM 0 H LYS A 32 -14.276 -7.575 -2.408 1.00 0.00 H new ATOM 0 HA LYS A 32 -15.768 -5.389 -3.682 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -16.542 -7.726 -3.969 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -16.644 -7.918 -2.230 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -18.277 -5.866 -2.340 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -18.387 -6.251 -4.046 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -19.429 -8.303 -3.669 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -18.715 -8.501 -2.081 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -20.162 -6.546 -1.297 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -20.975 -6.615 -2.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -22.170 -7.871 -1.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -21.601 -8.915 -2.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -20.813 -8.848 -0.883 1.00 0.00 H new ATOM 415 N GLY A 33 -15.741 -4.033 -1.580 1.00 0.00 N ATOM 416 CA GLY A 33 -15.955 -3.223 -0.394 1.00 0.00 C ATOM 417 C GLY A 33 -14.771 -3.257 0.552 1.00 0.00 C ATOM 418 O GLY A 33 -14.941 -3.285 1.770 1.00 0.00 O ATOM 0 H GLY A 33 -15.429 -3.516 -2.402 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -16.149 -2.193 -0.692 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -16.844 -3.577 0.128 1.00 0.00 H new ATOM 422 N GLY A 34 -13.566 -3.257 -0.010 1.00 0.00 N ATOM 423 CA GLY A 34 -12.366 -3.291 0.807 1.00 0.00 C ATOM 424 C GLY A 34 -12.367 -4.444 1.790 1.00 0.00 C ATOM 425 O GLY A 34 -12.237 -4.238 2.997 1.00 0.00 O ATOM 0 H GLY A 34 -13.399 -3.234 -1.016 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -11.492 -3.370 0.160 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -12.275 -2.352 1.353 1.00 0.00 H new ATOM 429 N GLU A 35 -12.514 -5.660 1.274 1.00 0.00 N ATOM 430 CA GLU A 35 -12.533 -6.850 2.117 1.00 0.00 C ATOM 431 C GLU A 35 -11.138 -7.456 2.235 1.00 0.00 C ATOM 432 O GLU A 35 -10.736 -7.916 3.304 1.00 0.00 O ATOM 433 CB GLU A 35 -13.506 -7.887 1.552 1.00 0.00 C ATOM 434 CG GLU A 35 -13.516 -7.948 0.034 1.00 0.00 C ATOM 435 CD GLU A 35 -14.170 -9.210 -0.495 1.00 0.00 C ATOM 436 OE1 GLU A 35 -15.416 -9.284 -0.479 1.00 0.00 O ATOM 437 OE2 GLU A 35 -13.435 -10.123 -0.926 1.00 0.00 O ATOM 0 H GLU A 35 -12.622 -5.847 0.277 1.00 0.00 H new ATOM 0 HA GLU A 35 -12.866 -6.554 3.112 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -13.245 -8.870 1.945 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -14.512 -7.659 1.905 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -14.044 -7.078 -0.357 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -12.492 -7.892 -0.335 1.00 0.00 H new ATOM 444 N THR A 36 -10.403 -7.453 1.127 1.00 0.00 N ATOM 445 CA THR A 36 -9.053 -8.004 1.104 1.00 0.00 C ATOM 446 C THR A 36 -8.041 -7.001 1.647 1.00 0.00 C ATOM 447 O THR A 36 -7.434 -7.224 2.695 1.00 0.00 O ATOM 448 CB THR A 36 -8.639 -8.415 -0.321 1.00 0.00 C ATOM 449 OG1 THR A 36 -9.550 -9.393 -0.834 1.00 0.00 O ATOM 450 CG2 THR A 36 -7.225 -8.976 -0.333 1.00 0.00 C ATOM 0 H THR A 36 -10.720 -7.075 0.234 1.00 0.00 H new ATOM 0 HA THR A 36 -9.061 -8.888 1.741 1.00 0.00 H new ATOM 0 HB THR A 36 -8.666 -7.528 -0.953 1.00 0.00 H new ATOM 0 HG1 THR A 36 -9.280 -9.647 -1.741 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.955 -9.259 -1.350 1.00 0.00 H new ATOM 0 HG22 THR A 36 -6.530 -8.219 0.030 1.00 0.00 H new ATOM 0 HG23 THR A 36 -7.176 -9.852 0.313 1.00 0.00 H new ATOM 458 N ILE A 37 -7.865 -5.898 0.928 1.00 0.00 N ATOM 459 CA ILE A 37 -6.928 -4.860 1.339 1.00 0.00 C ATOM 460 C ILE A 37 -6.980 -4.639 2.847 1.00 0.00 C ATOM 461 O ILE A 37 -5.955 -4.402 3.487 1.00 0.00 O ATOM 462 CB ILE A 37 -7.215 -3.526 0.626 1.00 0.00 C ATOM 463 CG1 ILE A 37 -6.309 -2.423 1.176 1.00 0.00 C ATOM 464 CG2 ILE A 37 -8.679 -3.145 0.784 1.00 0.00 C ATOM 465 CD1 ILE A 37 -6.589 -1.060 0.583 1.00 0.00 C ATOM 0 H ILE A 37 -8.359 -5.700 0.058 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.933 -5.205 1.058 1.00 0.00 H new ATOM 0 HB ILE A 37 -7.004 -3.647 -0.437 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -6.429 -2.371 2.258 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -5.269 -2.688 0.983 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -8.866 -2.200 0.275 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -9.306 -3.922 0.348 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -8.915 -3.039 1.843 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -5.910 -0.327 1.019 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -6.441 -1.095 -0.496 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -7.618 -0.774 0.799 1.00 0.00 H new ATOM 477 N LYS A 38 -8.181 -4.718 3.410 1.00 0.00 N ATOM 478 CA LYS A 38 -8.369 -4.529 4.844 1.00 0.00 C ATOM 479 C LYS A 38 -7.469 -5.470 5.639 1.00 0.00 C ATOM 480 O LYS A 38 -6.844 -5.065 6.618 1.00 0.00 O ATOM 481 CB LYS A 38 -9.833 -4.764 5.222 1.00 0.00 C ATOM 482 CG LYS A 38 -10.250 -4.061 6.502 1.00 0.00 C ATOM 483 CD LYS A 38 -11.726 -4.269 6.797 1.00 0.00 C ATOM 484 CE LYS A 38 -12.107 -3.712 8.160 1.00 0.00 C ATOM 485 NZ LYS A 38 -13.566 -3.846 8.426 1.00 0.00 N ATOM 0 H LYS A 38 -9.040 -4.912 2.895 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.098 -3.502 5.089 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.470 -4.423 4.406 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.004 -5.835 5.333 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.655 -4.436 7.335 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.042 -2.994 6.417 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.324 -3.785 6.025 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.959 -5.333 6.760 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.547 -4.235 8.935 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.823 -2.661 8.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.785 -3.455 9.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.100 -3.326 7.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.833 -4.851 8.399 1.00 0.00 H new ATOM 499 N GLN A 39 -7.408 -6.727 5.209 1.00 0.00 N ATOM 500 CA GLN A 39 -6.584 -7.724 5.882 1.00 0.00 C ATOM 501 C GLN A 39 -5.102 -7.411 5.709 1.00 0.00 C ATOM 502 O GLN A 39 -4.291 -7.689 6.593 1.00 0.00 O ATOM 503 CB GLN A 39 -6.890 -9.120 5.337 1.00 0.00 C ATOM 504 CG GLN A 39 -5.992 -9.533 4.182 1.00 0.00 C ATOM 505 CD GLN A 39 -6.430 -10.833 3.538 1.00 0.00 C ATOM 506 OE1 GLN A 39 -6.815 -10.861 2.368 1.00 0.00 O ATOM 507 NE2 GLN A 39 -6.374 -11.920 4.299 1.00 0.00 N ATOM 0 H GLN A 39 -7.919 -7.078 4.399 1.00 0.00 H new ATOM 0 HA GLN A 39 -6.820 -7.697 6.946 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -6.788 -9.846 6.143 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -7.929 -9.153 5.008 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -5.987 -8.743 3.431 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -4.968 -9.637 4.542 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -6.049 -11.851 5.263 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -6.656 -12.824 3.919 1.00 0.00 H new ATOM 516 N LEU A 40 -4.754 -6.833 4.564 1.00 0.00 N ATOM 517 CA LEU A 40 -3.368 -6.483 4.275 1.00 0.00 C ATOM 518 C LEU A 40 -2.847 -5.451 5.271 1.00 0.00 C ATOM 519 O LEU A 40 -1.639 -5.318 5.466 1.00 0.00 O ATOM 520 CB LEU A 40 -3.245 -5.940 2.850 1.00 0.00 C ATOM 521 CG LEU A 40 -3.383 -6.967 1.726 1.00 0.00 C ATOM 522 CD1 LEU A 40 -3.316 -6.285 0.368 1.00 0.00 C ATOM 523 CD2 LEU A 40 -2.305 -8.034 1.843 1.00 0.00 C ATOM 0 H LEU A 40 -5.412 -6.597 3.821 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.765 -7.386 4.367 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.005 -5.172 2.708 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.276 -5.451 2.751 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.356 -7.450 1.819 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.416 -7.032 -0.420 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.125 -5.559 0.285 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.359 -5.774 0.264 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.419 -8.756 1.035 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.322 -7.567 1.777 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.400 -8.544 2.802 1.00 0.00 H new ATOM 535 N GLN A 41 -3.767 -4.727 5.900 1.00 0.00 N ATOM 536 CA GLN A 41 -3.400 -3.709 6.877 1.00 0.00 C ATOM 537 C GLN A 41 -2.838 -4.347 8.143 1.00 0.00 C ATOM 538 O GLN A 41 -2.018 -3.749 8.838 1.00 0.00 O ATOM 539 CB GLN A 41 -4.613 -2.843 7.223 1.00 0.00 C ATOM 540 CG GLN A 41 -5.049 -1.926 6.092 1.00 0.00 C ATOM 541 CD GLN A 41 -6.333 -1.183 6.404 1.00 0.00 C ATOM 542 OE1 GLN A 41 -6.523 -0.690 7.516 1.00 0.00 O ATOM 543 NE2 GLN A 41 -7.222 -1.099 5.422 1.00 0.00 N ATOM 0 H GLN A 41 -4.771 -4.826 5.751 1.00 0.00 H new ATOM 0 HA GLN A 41 -2.627 -3.080 6.436 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.446 -3.491 7.495 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -4.379 -2.239 8.100 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.257 -1.205 5.888 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.186 -2.514 5.185 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.023 -1.523 4.516 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -8.105 -0.611 5.574 1.00 0.00 H new ATOM 552 N GLU A 42 -3.286 -5.564 8.435 1.00 0.00 N ATOM 553 CA GLU A 42 -2.828 -6.282 9.619 1.00 0.00 C ATOM 554 C GLU A 42 -1.532 -7.035 9.331 1.00 0.00 C ATOM 555 O GLU A 42 -0.602 -7.022 10.136 1.00 0.00 O ATOM 556 CB GLU A 42 -3.903 -7.259 10.098 1.00 0.00 C ATOM 557 CG GLU A 42 -5.180 -6.579 10.562 1.00 0.00 C ATOM 558 CD GLU A 42 -5.120 -6.156 12.017 1.00 0.00 C ATOM 559 OE1 GLU A 42 -4.308 -5.266 12.344 1.00 0.00 O ATOM 560 OE2 GLU A 42 -5.886 -6.717 12.829 1.00 0.00 O ATOM 0 H GLU A 42 -3.965 -6.073 7.869 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.636 -5.551 10.404 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.142 -7.949 9.288 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.501 -7.856 10.917 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.368 -5.703 9.940 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -6.021 -7.257 10.419 1.00 0.00 H new ATOM 567 N ARG A 43 -1.481 -7.692 8.176 1.00 0.00 N ATOM 568 CA ARG A 43 -0.302 -8.453 7.782 1.00 0.00 C ATOM 569 C ARG A 43 0.942 -7.568 7.783 1.00 0.00 C ATOM 570 O ARG A 43 2.043 -8.028 8.082 1.00 0.00 O ATOM 571 CB ARG A 43 -0.503 -9.065 6.394 1.00 0.00 C ATOM 572 CG ARG A 43 -1.215 -10.408 6.419 1.00 0.00 C ATOM 573 CD ARG A 43 -1.041 -11.154 5.105 1.00 0.00 C ATOM 574 NE ARG A 43 0.168 -11.974 5.097 1.00 0.00 N ATOM 575 CZ ARG A 43 0.484 -12.806 4.111 1.00 0.00 C ATOM 576 NH1 ARG A 43 -0.314 -12.927 3.059 1.00 0.00 N ATOM 577 NH2 ARG A 43 1.602 -13.518 4.176 1.00 0.00 N ATOM 0 H ARG A 43 -2.242 -7.712 7.498 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.159 -9.254 8.508 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.076 -8.371 5.779 1.00 0.00 H new ATOM 0 HB3 ARG A 43 0.469 -9.187 5.916 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -0.824 -11.013 7.237 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -2.276 -10.255 6.614 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -1.910 -11.788 4.930 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.999 -10.438 4.284 1.00 0.00 H new ATOM 0 HE ARG A 43 0.804 -11.904 5.891 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -1.173 -12.380 3.005 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -0.068 -13.567 2.304 1.00 0.00 H new ATOM 0 HH21 ARG A 43 2.219 -13.426 4.983 1.00 0.00 H new ATOM 0 HH22 ARG A 43 1.845 -14.157 3.419 1.00 0.00 H new ATOM 591 N ALA A 44 0.757 -6.296 7.446 1.00 0.00 N ATOM 592 CA ALA A 44 1.862 -5.346 7.410 1.00 0.00 C ATOM 593 C ALA A 44 1.796 -4.381 8.589 1.00 0.00 C ATOM 594 O ALA A 44 2.776 -3.712 8.912 1.00 0.00 O ATOM 595 CB ALA A 44 1.856 -4.579 6.096 1.00 0.00 C ATOM 0 H ALA A 44 -0.148 -5.899 7.194 1.00 0.00 H new ATOM 0 HA ALA A 44 2.793 -5.907 7.486 1.00 0.00 H new ATOM 0 HB1 ALA A 44 2.686 -3.873 6.083 1.00 0.00 H new ATOM 0 HB2 ALA A 44 1.961 -5.278 5.266 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.916 -4.036 5.996 1.00 0.00 H new ATOM 601 N GLY A 45 0.632 -4.314 9.228 1.00 0.00 N ATOM 602 CA GLY A 45 0.459 -3.427 10.364 1.00 0.00 C ATOM 603 C GLY A 45 0.402 -1.969 9.957 1.00 0.00 C ATOM 604 O GLY A 45 0.774 -1.085 10.729 1.00 0.00 O ATOM 0 H GLY A 45 -0.194 -4.858 8.979 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.459 -3.690 10.890 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.281 -3.574 11.064 1.00 0.00 H new ATOM 608 N VAL A 46 -0.064 -1.714 8.738 1.00 0.00 N ATOM 609 CA VAL A 46 -0.169 -0.352 8.229 1.00 0.00 C ATOM 610 C VAL A 46 -1.543 -0.097 7.620 1.00 0.00 C ATOM 611 O VAL A 46 -2.308 -1.029 7.373 1.00 0.00 O ATOM 612 CB VAL A 46 0.912 -0.064 7.169 1.00 0.00 C ATOM 613 CG1 VAL A 46 2.289 -0.011 7.812 1.00 0.00 C ATOM 614 CG2 VAL A 46 0.869 -1.112 6.067 1.00 0.00 C ATOM 0 H VAL A 46 -0.375 -2.433 8.085 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.022 0.315 9.078 1.00 0.00 H new ATOM 0 HB VAL A 46 0.709 0.909 6.722 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.040 0.193 7.048 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.310 0.780 8.562 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.506 -0.968 8.287 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.639 -0.894 5.327 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.047 -2.098 6.496 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -0.110 -1.096 5.588 1.00 0.00 H new ATOM 624 N LYS A 47 -1.850 1.173 7.379 1.00 0.00 N ATOM 625 CA LYS A 47 -3.132 1.553 6.796 1.00 0.00 C ATOM 626 C LYS A 47 -3.027 1.671 5.279 1.00 0.00 C ATOM 627 O LYS A 47 -2.151 2.362 4.760 1.00 0.00 O ATOM 628 CB LYS A 47 -3.611 2.880 7.389 1.00 0.00 C ATOM 629 CG LYS A 47 -5.124 3.016 7.433 1.00 0.00 C ATOM 630 CD LYS A 47 -5.548 4.314 8.099 1.00 0.00 C ATOM 631 CE LYS A 47 -5.671 5.444 7.089 1.00 0.00 C ATOM 632 NZ LYS A 47 -7.041 5.522 6.509 1.00 0.00 N ATOM 0 H LYS A 47 -1.229 1.957 7.578 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.856 0.773 7.033 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.216 2.980 8.400 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.198 3.701 6.803 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.523 2.979 6.419 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.551 2.172 7.975 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.503 4.170 8.604 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.821 4.586 8.864 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.426 6.390 7.571 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.946 5.297 6.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -7.089 6.315 5.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.259 4.635 6.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.733 5.671 7.271 1.00 0.00 H new ATOM 646 N MET A 48 -3.926 0.992 4.574 1.00 0.00 N ATOM 647 CA MET A 48 -3.935 1.023 3.116 1.00 0.00 C ATOM 648 C MET A 48 -5.164 1.761 2.596 1.00 0.00 C ATOM 649 O MET A 48 -6.296 1.321 2.795 1.00 0.00 O ATOM 650 CB MET A 48 -3.904 -0.400 2.554 1.00 0.00 C ATOM 651 CG MET A 48 -2.517 -1.022 2.548 1.00 0.00 C ATOM 652 SD MET A 48 -2.529 -2.742 2.008 1.00 0.00 S ATOM 653 CE MET A 48 -0.940 -3.299 2.618 1.00 0.00 C ATOM 0 H MET A 48 -4.657 0.414 4.988 1.00 0.00 H new ATOM 0 HA MET A 48 -3.045 1.557 2.783 1.00 0.00 H new ATOM 0 HB2 MET A 48 -4.572 -1.029 3.142 1.00 0.00 H new ATOM 0 HB3 MET A 48 -4.292 -0.388 1.535 1.00 0.00 H new ATOM 0 HG2 MET A 48 -1.867 -0.444 1.892 1.00 0.00 H new ATOM 0 HG3 MET A 48 -2.092 -0.963 3.550 1.00 0.00 H new ATOM 0 HE1 MET A 48 -0.721 -4.287 2.213 1.00 0.00 H new ATOM 0 HE2 MET A 48 -0.165 -2.599 2.307 1.00 0.00 H new ATOM 0 HE3 MET A 48 -0.966 -3.351 3.706 1.00 0.00 H new ATOM 663 N VAL A 49 -4.933 2.887 1.928 1.00 0.00 N ATOM 664 CA VAL A 49 -6.022 3.687 1.378 1.00 0.00 C ATOM 665 C VAL A 49 -5.778 4.010 -0.092 1.00 0.00 C ATOM 666 O VAL A 49 -4.785 4.649 -0.441 1.00 0.00 O ATOM 667 CB VAL A 49 -6.202 5.002 2.159 1.00 0.00 C ATOM 668 CG1 VAL A 49 -7.226 5.894 1.474 1.00 0.00 C ATOM 669 CG2 VAL A 49 -6.608 4.716 3.597 1.00 0.00 C ATOM 0 H VAL A 49 -4.002 3.266 1.755 1.00 0.00 H new ATOM 0 HA VAL A 49 -6.930 3.092 1.470 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.248 5.530 2.173 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -7.340 6.818 2.040 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.888 6.126 0.464 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -8.185 5.377 1.426 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.731 5.656 4.134 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.549 4.167 3.607 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -5.835 4.120 4.082 1.00 0.00 H new ATOM 679 N MET A 50 -6.690 3.565 -0.949 1.00 0.00 N ATOM 680 CA MET A 50 -6.575 3.810 -2.382 1.00 0.00 C ATOM 681 C MET A 50 -7.066 5.209 -2.737 1.00 0.00 C ATOM 682 O MET A 50 -8.189 5.587 -2.401 1.00 0.00 O ATOM 683 CB MET A 50 -7.371 2.764 -3.165 1.00 0.00 C ATOM 684 CG MET A 50 -6.685 1.409 -3.241 1.00 0.00 C ATOM 685 SD MET A 50 -5.589 1.265 -4.666 1.00 0.00 S ATOM 686 CE MET A 50 -5.160 -0.472 -4.588 1.00 0.00 C ATOM 0 H MET A 50 -7.517 3.033 -0.677 1.00 0.00 H new ATOM 0 HA MET A 50 -5.522 3.735 -2.654 1.00 0.00 H new ATOM 0 HB2 MET A 50 -8.349 2.641 -2.700 1.00 0.00 H new ATOM 0 HB3 MET A 50 -7.543 3.132 -4.176 1.00 0.00 H new ATOM 0 HG2 MET A 50 -6.112 1.244 -2.329 1.00 0.00 H new ATOM 0 HG3 MET A 50 -7.441 0.625 -3.288 1.00 0.00 H new ATOM 0 HE1 MET A 50 -4.115 -0.576 -4.297 1.00 0.00 H new ATOM 0 HE2 MET A 50 -5.792 -0.970 -3.853 1.00 0.00 H new ATOM 0 HE3 MET A 50 -5.311 -0.928 -5.566 1.00 0.00 H new ATOM 696 N ILE A 51 -6.219 5.975 -3.416 1.00 0.00 N ATOM 697 CA ILE A 51 -6.568 7.332 -3.816 1.00 0.00 C ATOM 698 C ILE A 51 -7.128 7.361 -5.234 1.00 0.00 C ATOM 699 O ILE A 51 -6.502 6.861 -6.168 1.00 0.00 O ATOM 700 CB ILE A 51 -5.352 8.273 -3.737 1.00 0.00 C ATOM 701 CG1 ILE A 51 -4.637 8.108 -2.394 1.00 0.00 C ATOM 702 CG2 ILE A 51 -5.785 9.718 -3.938 1.00 0.00 C ATOM 703 CD1 ILE A 51 -5.485 8.505 -1.206 1.00 0.00 C ATOM 0 H ILE A 51 -5.286 5.678 -3.701 1.00 0.00 H new ATOM 0 HA ILE A 51 -7.331 7.679 -3.120 1.00 0.00 H new ATOM 0 HB ILE A 51 -4.656 8.009 -4.533 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -4.330 7.068 -2.280 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -3.728 8.710 -2.399 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -4.914 10.370 -3.879 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.253 9.825 -4.917 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -6.499 9.995 -3.162 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -4.915 8.362 -0.288 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.770 9.553 -1.297 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.382 7.886 -1.176 1.00 0.00 H new ATOM 715 N GLN A 52 -8.309 7.951 -5.386 1.00 0.00 N ATOM 716 CA GLN A 52 -8.952 8.046 -6.691 1.00 0.00 C ATOM 717 C GLN A 52 -8.342 9.172 -7.519 1.00 0.00 C ATOM 718 O GLN A 52 -8.337 10.331 -7.101 1.00 0.00 O ATOM 719 CB GLN A 52 -10.456 8.275 -6.527 1.00 0.00 C ATOM 720 CG GLN A 52 -11.201 8.390 -7.847 1.00 0.00 C ATOM 721 CD GLN A 52 -11.088 9.770 -8.463 1.00 0.00 C ATOM 722 OE1 GLN A 52 -11.228 10.782 -7.777 1.00 0.00 O ATOM 723 NE2 GLN A 52 -10.833 9.818 -9.766 1.00 0.00 N ATOM 0 H GLN A 52 -8.840 8.370 -4.622 1.00 0.00 H new ATOM 0 HA GLN A 52 -8.790 7.105 -7.216 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -10.880 7.453 -5.951 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -10.616 9.185 -5.949 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -10.809 7.651 -8.546 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -12.253 8.152 -7.688 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -10.724 8.954 -10.297 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -10.746 10.719 -10.236 1.00 0.00 H new ATOM 732 N ASP A 53 -7.827 8.825 -8.693 1.00 0.00 N ATOM 733 CA ASP A 53 -7.214 9.807 -9.580 1.00 0.00 C ATOM 734 C ASP A 53 -7.777 9.690 -10.993 1.00 0.00 C ATOM 735 O ASP A 53 -8.493 10.574 -11.462 1.00 0.00 O ATOM 736 CB ASP A 53 -5.696 9.625 -9.606 1.00 0.00 C ATOM 737 CG ASP A 53 -4.985 10.781 -10.283 1.00 0.00 C ATOM 738 OD1 ASP A 53 -5.287 11.052 -11.464 1.00 0.00 O ATOM 739 OD2 ASP A 53 -4.127 11.413 -9.632 1.00 0.00 O ATOM 0 H ASP A 53 -7.822 7.871 -9.053 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.447 10.801 -9.197 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.328 9.524 -8.585 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -5.453 8.698 -10.126 1.00 0.00 H new ATOM 744 N GLY A 54 -7.448 8.592 -11.666 1.00 0.00 N ATOM 745 CA GLY A 54 -7.929 8.380 -13.019 1.00 0.00 C ATOM 746 C GLY A 54 -7.150 9.182 -14.043 1.00 0.00 C ATOM 747 O GLY A 54 -7.646 10.157 -14.607 1.00 0.00 O ATOM 0 H GLY A 54 -6.857 7.846 -11.299 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -7.861 7.320 -13.264 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -8.983 8.653 -13.074 1.00 0.00 H new ATOM 751 N PRO A 55 -5.899 8.770 -14.296 1.00 0.00 N ATOM 752 CA PRO A 55 -5.023 9.443 -15.259 1.00 0.00 C ATOM 753 C PRO A 55 -5.484 9.244 -16.699 1.00 0.00 C ATOM 754 O PRO A 55 -5.605 8.114 -17.170 1.00 0.00 O ATOM 755 CB PRO A 55 -3.666 8.772 -15.034 1.00 0.00 C ATOM 756 CG PRO A 55 -3.995 7.429 -14.478 1.00 0.00 C ATOM 757 CD PRO A 55 -5.243 7.614 -13.661 1.00 0.00 C ATOM 0 HA PRO A 55 -5.009 10.523 -15.112 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -3.106 8.689 -15.966 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -3.050 9.347 -14.342 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -4.155 6.705 -15.277 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.178 7.050 -13.863 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -5.876 6.727 -13.689 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -5.012 7.808 -12.614 1.00 0.00 H new ATOM 765 N GLN A 56 -5.738 10.349 -17.392 1.00 0.00 N ATOM 766 CA GLN A 56 -6.185 10.295 -18.779 1.00 0.00 C ATOM 767 C GLN A 56 -5.016 10.014 -19.718 1.00 0.00 C ATOM 768 O GLN A 56 -5.135 9.224 -20.653 1.00 0.00 O ATOM 769 CB GLN A 56 -6.865 11.608 -19.170 1.00 0.00 C ATOM 770 CG GLN A 56 -7.930 11.447 -20.243 1.00 0.00 C ATOM 771 CD GLN A 56 -9.281 11.063 -19.671 1.00 0.00 C ATOM 772 OE1 GLN A 56 -9.738 9.931 -19.833 1.00 0.00 O ATOM 773 NE2 GLN A 56 -9.928 12.007 -18.997 1.00 0.00 N ATOM 0 H GLN A 56 -5.642 11.292 -17.016 1.00 0.00 H new ATOM 0 HA GLN A 56 -6.904 9.481 -18.871 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -7.319 12.050 -18.283 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -6.108 12.308 -19.524 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -8.026 12.381 -20.797 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -7.611 10.685 -20.955 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -9.512 12.932 -18.887 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -10.841 11.807 -18.589 1.00 0.00 H new ATOM 782 N ASN A 57 -3.888 10.668 -19.461 1.00 0.00 N ATOM 783 CA ASN A 57 -2.697 10.490 -20.284 1.00 0.00 C ATOM 784 C ASN A 57 -2.279 9.023 -20.326 1.00 0.00 C ATOM 785 O ASN A 57 -2.400 8.360 -21.356 1.00 0.00 O ATOM 786 CB ASN A 57 -1.548 11.344 -19.746 1.00 0.00 C ATOM 787 CG ASN A 57 -1.789 12.828 -19.943 1.00 0.00 C ATOM 788 OD1 ASN A 57 -2.126 13.544 -19.001 1.00 0.00 O ATOM 789 ND2 ASN A 57 -1.617 13.297 -21.174 1.00 0.00 N ATOM 0 H ASN A 57 -3.774 11.326 -18.690 1.00 0.00 H new ATOM 0 HA ASN A 57 -2.935 10.811 -21.298 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -1.413 11.139 -18.684 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -0.622 11.059 -20.246 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -1.765 14.287 -21.368 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -1.337 12.667 -21.925 1.00 0.00 H new ATOM 796 N THR A 58 -1.787 8.521 -19.197 1.00 0.00 N ATOM 797 CA THR A 58 -1.351 7.134 -19.104 1.00 0.00 C ATOM 798 C THR A 58 -2.533 6.177 -19.213 1.00 0.00 C ATOM 799 O THR A 58 -3.669 6.542 -18.915 1.00 0.00 O ATOM 800 CB THR A 58 -0.609 6.866 -17.781 1.00 0.00 C ATOM 801 OG1 THR A 58 -1.542 6.827 -16.695 1.00 0.00 O ATOM 802 CG2 THR A 58 0.436 7.940 -17.519 1.00 0.00 C ATOM 0 H THR A 58 -1.681 9.055 -18.335 1.00 0.00 H new ATOM 0 HA THR A 58 -0.669 6.961 -19.936 1.00 0.00 H new ATOM 0 HB THR A 58 -0.105 5.903 -17.862 1.00 0.00 H new ATOM 0 HG1 THR A 58 -1.508 5.946 -16.266 1.00 0.00 H new ATOM 0 HG21 THR A 58 0.947 7.729 -16.579 1.00 0.00 H new ATOM 0 HG22 THR A 58 1.161 7.948 -18.332 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.050 8.914 -17.457 1.00 0.00 H new ATOM 810 N GLY A 59 -2.257 4.949 -19.643 1.00 0.00 N ATOM 811 CA GLY A 59 -3.308 3.959 -19.783 1.00 0.00 C ATOM 812 C GLY A 59 -4.355 4.066 -18.692 1.00 0.00 C ATOM 813 O GLY A 59 -5.396 4.695 -18.881 1.00 0.00 O ATOM 0 H GLY A 59 -1.324 4.623 -19.897 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.787 4.077 -20.755 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.868 2.962 -19.764 1.00 0.00 H new ATOM 817 N ALA A 60 -4.080 3.449 -17.548 1.00 0.00 N ATOM 818 CA ALA A 60 -5.007 3.478 -16.423 1.00 0.00 C ATOM 819 C ALA A 60 -4.346 2.951 -15.154 1.00 0.00 C ATOM 820 O ALA A 60 -3.764 1.866 -15.150 1.00 0.00 O ATOM 821 CB ALA A 60 -6.255 2.670 -16.745 1.00 0.00 C ATOM 0 H ALA A 60 -3.223 2.923 -17.375 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.295 4.515 -16.248 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -6.938 2.701 -15.896 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -6.746 3.093 -17.621 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.976 1.636 -16.949 1.00 0.00 H new ATOM 827 N ASP A 61 -4.439 3.725 -14.078 1.00 0.00 N ATOM 828 CA ASP A 61 -3.850 3.336 -12.802 1.00 0.00 C ATOM 829 C ASP A 61 -4.451 4.144 -11.657 1.00 0.00 C ATOM 830 O ASP A 61 -5.145 5.136 -11.880 1.00 0.00 O ATOM 831 CB ASP A 61 -2.333 3.527 -12.837 1.00 0.00 C ATOM 832 CG ASP A 61 -1.733 3.159 -14.180 1.00 0.00 C ATOM 833 OD1 ASP A 61 -1.768 4.006 -15.096 1.00 0.00 O ATOM 834 OD2 ASP A 61 -1.230 2.024 -14.314 1.00 0.00 O ATOM 0 H ASP A 61 -4.917 4.626 -14.064 1.00 0.00 H new ATOM 0 HA ASP A 61 -4.072 2.282 -12.634 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -2.095 4.566 -12.609 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.875 2.917 -12.058 1.00 0.00 H new ATOM 839 N LYS A 62 -4.182 3.712 -10.429 1.00 0.00 N ATOM 840 CA LYS A 62 -4.695 4.394 -9.248 1.00 0.00 C ATOM 841 C LYS A 62 -3.630 4.474 -8.160 1.00 0.00 C ATOM 842 O LYS A 62 -3.097 3.463 -7.703 1.00 0.00 O ATOM 843 CB LYS A 62 -5.933 3.670 -8.712 1.00 0.00 C ATOM 844 CG LYS A 62 -6.900 3.234 -9.799 1.00 0.00 C ATOM 845 CD LYS A 62 -7.930 4.312 -10.093 1.00 0.00 C ATOM 846 CE LYS A 62 -8.431 4.227 -11.527 1.00 0.00 C ATOM 847 NZ LYS A 62 -9.780 4.840 -11.680 1.00 0.00 N ATOM 0 H LYS A 62 -3.611 2.892 -10.227 1.00 0.00 H new ATOM 0 HA LYS A 62 -4.971 5.408 -9.537 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -5.615 2.794 -8.147 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -6.454 4.326 -8.015 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -6.346 3.001 -10.708 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -7.407 2.319 -9.491 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -8.770 4.211 -9.406 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -7.491 5.294 -9.917 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -7.726 4.730 -12.189 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -8.469 3.183 -11.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -10.086 4.762 -12.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -10.458 4.343 -11.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -9.738 5.843 -11.408 1.00 0.00 H new ATOM 861 N PRO A 63 -3.311 5.705 -7.731 1.00 0.00 N ATOM 862 CA PRO A 63 -2.308 5.946 -6.690 1.00 0.00 C ATOM 863 C PRO A 63 -2.777 5.482 -5.315 1.00 0.00 C ATOM 864 O PRO A 63 -3.711 6.046 -4.743 1.00 0.00 O ATOM 865 CB PRO A 63 -2.133 7.466 -6.711 1.00 0.00 C ATOM 866 CG PRO A 63 -3.420 7.988 -7.251 1.00 0.00 C ATOM 867 CD PRO A 63 -3.907 6.956 -8.230 1.00 0.00 C ATOM 0 HA PRO A 63 -1.386 5.395 -6.876 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.936 7.856 -5.712 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -1.292 7.759 -7.339 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -4.145 8.141 -6.452 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.276 8.952 -7.739 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -4.996 6.903 -8.250 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -3.580 7.180 -9.246 1.00 0.00 H new ATOM 875 N LEU A 64 -2.123 4.453 -4.788 1.00 0.00 N ATOM 876 CA LEU A 64 -2.473 3.913 -3.479 1.00 0.00 C ATOM 877 C LEU A 64 -1.607 4.531 -2.386 1.00 0.00 C ATOM 878 O LEU A 64 -0.378 4.479 -2.450 1.00 0.00 O ATOM 879 CB LEU A 64 -2.313 2.392 -3.473 1.00 0.00 C ATOM 880 CG LEU A 64 -2.104 1.745 -2.103 1.00 0.00 C ATOM 881 CD1 LEU A 64 -3.309 1.988 -1.208 1.00 0.00 C ATOM 882 CD2 LEU A 64 -1.842 0.253 -2.253 1.00 0.00 C ATOM 0 H LEU A 64 -1.347 3.976 -5.247 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.515 4.163 -3.277 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.200 1.952 -3.929 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.466 2.133 -4.108 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.232 2.203 -1.636 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.142 1.520 -0.238 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.452 3.060 -1.074 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.198 1.558 -1.670 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.696 -0.191 -1.269 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.695 -0.219 -2.741 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.948 0.100 -2.857 1.00 0.00 H new ATOM 894 N ARG A 65 -2.255 5.114 -1.383 1.00 0.00 N ATOM 895 CA ARG A 65 -1.544 5.741 -0.275 1.00 0.00 C ATOM 896 C ARG A 65 -1.466 4.800 0.923 1.00 0.00 C ATOM 897 O ARG A 65 -2.490 4.398 1.476 1.00 0.00 O ATOM 898 CB ARG A 65 -2.235 7.045 0.130 1.00 0.00 C ATOM 899 CG ARG A 65 -1.319 8.021 0.849 1.00 0.00 C ATOM 900 CD ARG A 65 -2.063 9.282 1.262 1.00 0.00 C ATOM 901 NE ARG A 65 -1.278 10.105 2.178 1.00 0.00 N ATOM 902 CZ ARG A 65 -1.680 11.288 2.630 1.00 0.00 C ATOM 903 NH1 ARG A 65 -2.850 11.783 2.253 1.00 0.00 N ATOM 904 NH2 ARG A 65 -0.910 11.978 3.462 1.00 0.00 N ATOM 0 H ARG A 65 -3.271 5.165 -1.315 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.530 5.963 -0.606 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -2.636 7.526 -0.762 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -3.082 6.812 0.775 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -0.895 7.542 1.732 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -0.485 8.286 0.199 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -2.311 9.864 0.374 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -3.005 9.008 1.737 1.00 0.00 H new ATOM 0 HE ARG A 65 -0.372 9.753 2.488 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -3.445 11.256 1.614 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -3.156 12.691 2.602 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -0.009 11.600 3.755 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -1.219 12.886 3.809 1.00 0.00 H new ATOM 918 N ILE A 66 -0.246 4.453 1.318 1.00 0.00 N ATOM 919 CA ILE A 66 -0.036 3.560 2.451 1.00 0.00 C ATOM 920 C ILE A 66 0.560 4.309 3.638 1.00 0.00 C ATOM 921 O ILE A 66 1.741 4.660 3.637 1.00 0.00 O ATOM 922 CB ILE A 66 0.892 2.389 2.079 1.00 0.00 C ATOM 923 CG1 ILE A 66 0.268 1.548 0.964 1.00 0.00 C ATOM 924 CG2 ILE A 66 1.175 1.529 3.302 1.00 0.00 C ATOM 925 CD1 ILE A 66 1.002 0.253 0.699 1.00 0.00 C ATOM 0 H ILE A 66 0.612 4.776 0.871 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.014 3.165 2.728 1.00 0.00 H new ATOM 0 HB ILE A 66 1.836 2.795 1.717 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.766 1.323 1.226 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.244 2.136 0.047 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.832 0.705 3.023 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.658 2.135 4.069 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.238 1.130 3.691 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.503 -0.290 -0.103 1.00 0.00 H new ATOM 0 HD12 ILE A 66 2.029 0.470 0.406 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.004 -0.356 1.603 1.00 0.00 H new ATOM 937 N THR A 67 -0.265 4.551 4.653 1.00 0.00 N ATOM 938 CA THR A 67 0.180 5.258 5.847 1.00 0.00 C ATOM 939 C THR A 67 0.471 4.286 6.985 1.00 0.00 C ATOM 940 O THR A 67 -0.093 3.194 7.041 1.00 0.00 O ATOM 941 CB THR A 67 -0.870 6.281 6.318 1.00 0.00 C ATOM 942 OG1 THR A 67 -2.188 5.795 6.038 1.00 0.00 O ATOM 943 CG2 THR A 67 -0.663 7.623 5.632 1.00 0.00 C ATOM 0 H THR A 67 -1.245 4.267 4.671 1.00 0.00 H new ATOM 0 HA THR A 67 1.096 5.785 5.579 1.00 0.00 H new ATOM 0 HB THR A 67 -0.755 6.418 7.393 1.00 0.00 H new ATOM 0 HG1 THR A 67 -2.850 6.451 6.342 1.00 0.00 H new ATOM 0 HG21 THR A 67 -1.416 8.330 5.980 1.00 0.00 H new ATOM 0 HG22 THR A 67 0.330 8.004 5.870 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.754 7.498 4.553 1.00 0.00 H new ATOM 951 N GLY A 68 1.356 4.690 7.891 1.00 0.00 N ATOM 952 CA GLY A 68 1.706 3.843 9.016 1.00 0.00 C ATOM 953 C GLY A 68 3.058 4.191 9.605 1.00 0.00 C ATOM 954 O GLY A 68 3.234 5.264 10.183 1.00 0.00 O ATOM 0 H GLY A 68 1.837 5.589 7.866 1.00 0.00 H new ATOM 0 HA2 GLY A 68 0.942 3.936 9.788 1.00 0.00 H new ATOM 0 HA3 GLY A 68 1.710 2.801 8.695 1.00 0.00 H new ATOM 958 N ASP A 69 4.016 3.282 9.461 1.00 0.00 N ATOM 959 CA ASP A 69 5.360 3.498 9.984 1.00 0.00 C ATOM 960 C ASP A 69 6.394 3.452 8.863 1.00 0.00 C ATOM 961 O ASP A 69 6.142 2.936 7.774 1.00 0.00 O ATOM 962 CB ASP A 69 5.693 2.447 11.045 1.00 0.00 C ATOM 963 CG ASP A 69 5.330 2.902 12.445 1.00 0.00 C ATOM 964 OD1 ASP A 69 4.145 2.784 12.819 1.00 0.00 O ATOM 965 OD2 ASP A 69 6.233 3.376 13.166 1.00 0.00 O ATOM 0 H ASP A 69 3.887 2.388 8.986 1.00 0.00 H new ATOM 0 HA ASP A 69 5.390 4.487 10.441 1.00 0.00 H new ATOM 0 HB2 ASP A 69 5.161 1.523 10.817 1.00 0.00 H new ATOM 0 HB3 ASP A 69 6.758 2.219 11.005 1.00 0.00 H new ATOM 970 N PRO A 70 7.585 4.005 9.133 1.00 0.00 N ATOM 971 CA PRO A 70 8.681 4.040 8.160 1.00 0.00 C ATOM 972 C PRO A 70 9.271 2.658 7.901 1.00 0.00 C ATOM 973 O PRO A 70 9.787 2.386 6.817 1.00 0.00 O ATOM 974 CB PRO A 70 9.718 4.948 8.825 1.00 0.00 C ATOM 975 CG PRO A 70 9.441 4.833 10.285 1.00 0.00 C ATOM 976 CD PRO A 70 7.955 4.638 10.410 1.00 0.00 C ATOM 0 HA PRO A 70 8.348 4.394 7.184 1.00 0.00 H new ATOM 0 HB2 PRO A 70 10.733 4.629 8.588 1.00 0.00 H new ATOM 0 HB3 PRO A 70 9.619 5.978 8.483 1.00 0.00 H new ATOM 0 HG2 PRO A 70 9.983 3.993 10.720 1.00 0.00 H new ATOM 0 HG3 PRO A 70 9.763 5.729 10.815 1.00 0.00 H new ATOM 0 HD2 PRO A 70 7.703 4.004 11.260 1.00 0.00 H new ATOM 0 HD3 PRO A 70 7.436 5.586 10.554 1.00 0.00 H new ATOM 984 N TYR A 71 9.192 1.789 8.903 1.00 0.00 N ATOM 985 CA TYR A 71 9.720 0.435 8.784 1.00 0.00 C ATOM 986 C TYR A 71 8.642 -0.530 8.300 1.00 0.00 C ATOM 987 O TYR A 71 8.941 -1.589 7.748 1.00 0.00 O ATOM 988 CB TYR A 71 10.277 -0.037 10.128 1.00 0.00 C ATOM 989 CG TYR A 71 10.895 -1.416 10.076 1.00 0.00 C ATOM 990 CD1 TYR A 71 10.126 -2.552 10.297 1.00 0.00 C ATOM 991 CD2 TYR A 71 12.247 -1.583 9.805 1.00 0.00 C ATOM 992 CE1 TYR A 71 10.687 -3.814 10.251 1.00 0.00 C ATOM 993 CE2 TYR A 71 12.816 -2.841 9.756 1.00 0.00 C ATOM 994 CZ TYR A 71 12.032 -3.953 9.980 1.00 0.00 C ATOM 995 OH TYR A 71 12.594 -5.209 9.933 1.00 0.00 O ATOM 0 H TYR A 71 8.767 1.998 9.807 1.00 0.00 H new ATOM 0 HA TYR A 71 10.525 0.449 8.049 1.00 0.00 H new ATOM 0 HB2 TYR A 71 11.027 0.675 10.471 1.00 0.00 H new ATOM 0 HB3 TYR A 71 9.474 -0.035 10.865 1.00 0.00 H new ATOM 0 HD1 TYR A 71 9.072 -2.447 10.508 1.00 0.00 H new ATOM 0 HD2 TYR A 71 12.864 -0.714 9.630 1.00 0.00 H new ATOM 0 HE1 TYR A 71 10.075 -4.687 10.426 1.00 0.00 H new ATOM 0 HE2 TYR A 71 13.869 -2.953 9.543 1.00 0.00 H new ATOM 0 HH TYR A 71 13.550 -5.132 9.730 1.00 0.00 H new ATOM 1005 N LYS A 72 7.384 -0.155 8.510 1.00 0.00 N ATOM 1006 CA LYS A 72 6.259 -0.984 8.095 1.00 0.00 C ATOM 1007 C LYS A 72 5.753 -0.564 6.718 1.00 0.00 C ATOM 1008 O LYS A 72 5.715 -1.369 5.788 1.00 0.00 O ATOM 1009 CB LYS A 72 5.125 -0.890 9.118 1.00 0.00 C ATOM 1010 CG LYS A 72 5.592 -1.017 10.557 1.00 0.00 C ATOM 1011 CD LYS A 72 4.418 -1.086 11.520 1.00 0.00 C ATOM 1012 CE LYS A 72 3.814 -2.481 11.563 1.00 0.00 C ATOM 1013 NZ LYS A 72 3.152 -2.759 12.868 1.00 0.00 N ATOM 0 H LYS A 72 7.119 0.718 8.965 1.00 0.00 H new ATOM 0 HA LYS A 72 6.602 -2.017 8.037 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.613 0.064 8.994 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.395 -1.672 8.911 1.00 0.00 H new ATOM 0 HG2 LYS A 72 6.205 -1.912 10.664 1.00 0.00 H new ATOM 0 HG3 LYS A 72 6.224 -0.166 10.812 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.748 -0.800 12.519 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.656 -0.367 11.218 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.087 -2.587 10.757 1.00 0.00 H new ATOM 0 HE3 LYS A 72 4.595 -3.221 11.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.753 -3.719 12.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.850 -2.683 13.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.390 -2.069 13.024 1.00 0.00 H new ATOM 1027 N VAL A 73 5.365 0.701 6.596 1.00 0.00 N ATOM 1028 CA VAL A 73 4.864 1.228 5.332 1.00 0.00 C ATOM 1029 C VAL A 73 5.638 0.654 4.151 1.00 0.00 C ATOM 1030 O VAL A 73 5.050 0.265 3.142 1.00 0.00 O ATOM 1031 CB VAL A 73 4.952 2.766 5.291 1.00 0.00 C ATOM 1032 CG1 VAL A 73 4.708 3.277 3.879 1.00 0.00 C ATOM 1033 CG2 VAL A 73 3.964 3.382 6.269 1.00 0.00 C ATOM 0 H VAL A 73 5.388 1.380 7.357 1.00 0.00 H new ATOM 0 HA VAL A 73 3.819 0.929 5.257 1.00 0.00 H new ATOM 0 HB VAL A 73 5.957 3.064 5.590 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.774 4.365 3.869 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.459 2.862 3.207 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.716 2.971 3.548 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.040 4.469 6.227 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.951 3.078 6.003 1.00 0.00 H new ATOM 0 HG23 VAL A 73 4.192 3.041 7.279 1.00 0.00 H new ATOM 1043 N GLN A 74 6.959 0.603 4.285 1.00 0.00 N ATOM 1044 CA GLN A 74 7.814 0.076 3.228 1.00 0.00 C ATOM 1045 C GLN A 74 7.537 -1.406 2.992 1.00 0.00 C ATOM 1046 O GLN A 74 7.490 -1.863 1.851 1.00 0.00 O ATOM 1047 CB GLN A 74 9.287 0.281 3.585 1.00 0.00 C ATOM 1048 CG GLN A 74 9.684 1.742 3.715 1.00 0.00 C ATOM 1049 CD GLN A 74 9.984 2.387 2.376 1.00 0.00 C ATOM 1050 OE1 GLN A 74 9.464 1.968 1.342 1.00 0.00 O ATOM 1051 NE2 GLN A 74 10.827 3.413 2.388 1.00 0.00 N ATOM 0 H GLN A 74 7.460 0.920 5.115 1.00 0.00 H new ATOM 0 HA GLN A 74 7.591 0.619 2.310 1.00 0.00 H new ATOM 0 HB2 GLN A 74 9.499 -0.229 4.525 1.00 0.00 H new ATOM 0 HB3 GLN A 74 9.906 -0.188 2.821 1.00 0.00 H new ATOM 0 HG2 GLN A 74 8.880 2.291 4.206 1.00 0.00 H new ATOM 0 HG3 GLN A 74 10.562 1.820 4.356 1.00 0.00 H new ATOM 0 HE21 GLN A 74 11.235 3.728 3.268 1.00 0.00 H new ATOM 0 HE22 GLN A 74 11.066 3.887 1.517 1.00 0.00 H new ATOM 1060 N GLN A 75 7.355 -2.149 4.079 1.00 0.00 N ATOM 1061 CA GLN A 75 7.084 -3.579 3.990 1.00 0.00 C ATOM 1062 C GLN A 75 5.752 -3.837 3.293 1.00 0.00 C ATOM 1063 O GLN A 75 5.673 -4.637 2.361 1.00 0.00 O ATOM 1064 CB GLN A 75 7.074 -4.206 5.385 1.00 0.00 C ATOM 1065 CG GLN A 75 8.462 -4.414 5.968 1.00 0.00 C ATOM 1066 CD GLN A 75 9.223 -5.530 5.279 1.00 0.00 C ATOM 1067 OE1 GLN A 75 9.321 -5.564 4.052 1.00 0.00 O ATOM 1068 NE2 GLN A 75 9.767 -6.450 6.066 1.00 0.00 N ATOM 0 H GLN A 75 7.390 -1.785 5.031 1.00 0.00 H new ATOM 0 HA GLN A 75 7.877 -4.038 3.400 1.00 0.00 H new ATOM 0 HB2 GLN A 75 6.499 -3.569 6.057 1.00 0.00 H new ATOM 0 HB3 GLN A 75 6.561 -5.166 5.339 1.00 0.00 H new ATOM 0 HG2 GLN A 75 9.030 -3.487 5.885 1.00 0.00 H new ATOM 0 HG3 GLN A 75 8.375 -4.641 7.031 1.00 0.00 H new ATOM 0 HE21 GLN A 75 9.661 -6.383 7.078 1.00 0.00 H new ATOM 0 HE22 GLN A 75 10.291 -7.224 5.659 1.00 0.00 H new ATOM 1077 N ALA A 76 4.708 -3.156 3.752 1.00 0.00 N ATOM 1078 CA ALA A 76 3.379 -3.311 3.172 1.00 0.00 C ATOM 1079 C ALA A 76 3.408 -3.080 1.665 1.00 0.00 C ATOM 1080 O ALA A 76 2.823 -3.845 0.898 1.00 0.00 O ATOM 1081 CB ALA A 76 2.399 -2.356 3.835 1.00 0.00 C ATOM 0 H ALA A 76 4.756 -2.491 4.524 1.00 0.00 H new ATOM 0 HA ALA A 76 3.049 -4.334 3.351 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.411 -2.483 3.392 1.00 0.00 H new ATOM 0 HB2 ALA A 76 2.348 -2.570 4.903 1.00 0.00 H new ATOM 0 HB3 ALA A 76 2.734 -1.330 3.686 1.00 0.00 H new ATOM 1087 N LYS A 77 4.092 -2.021 1.246 1.00 0.00 N ATOM 1088 CA LYS A 77 4.199 -1.689 -0.170 1.00 0.00 C ATOM 1089 C LYS A 77 4.539 -2.926 -0.995 1.00 0.00 C ATOM 1090 O LYS A 77 4.125 -3.046 -2.147 1.00 0.00 O ATOM 1091 CB LYS A 77 5.264 -0.611 -0.383 1.00 0.00 C ATOM 1092 CG LYS A 77 5.796 -0.555 -1.805 1.00 0.00 C ATOM 1093 CD LYS A 77 7.005 0.359 -1.912 1.00 0.00 C ATOM 1094 CE LYS A 77 8.289 -0.368 -1.542 1.00 0.00 C ATOM 1095 NZ LYS A 77 8.868 -1.096 -2.705 1.00 0.00 N ATOM 0 H LYS A 77 4.581 -1.377 1.868 1.00 0.00 H new ATOM 0 HA LYS A 77 3.234 -1.307 -0.502 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.843 0.360 -0.123 1.00 0.00 H new ATOM 0 HB3 LYS A 77 6.094 -0.792 0.300 1.00 0.00 H new ATOM 0 HG2 LYS A 77 6.067 -1.559 -2.133 1.00 0.00 H new ATOM 0 HG3 LYS A 77 5.011 -0.202 -2.474 1.00 0.00 H new ATOM 0 HD2 LYS A 77 7.083 0.743 -2.929 1.00 0.00 H new ATOM 0 HD3 LYS A 77 6.871 1.219 -1.256 1.00 0.00 H new ATOM 0 HE2 LYS A 77 9.017 0.350 -1.164 1.00 0.00 H new ATOM 0 HE3 LYS A 77 8.088 -1.073 -0.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 9.905 -1.109 -2.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 8.509 -2.072 -2.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 8.595 -0.616 -3.586 1.00 0.00 H new ATOM 1109 N GLU A 78 5.293 -3.842 -0.396 1.00 0.00 N ATOM 1110 CA GLU A 78 5.688 -5.070 -1.077 1.00 0.00 C ATOM 1111 C GLU A 78 4.510 -6.034 -1.185 1.00 0.00 C ATOM 1112 O GLU A 78 4.234 -6.575 -2.255 1.00 0.00 O ATOM 1113 CB GLU A 78 6.845 -5.741 -0.335 1.00 0.00 C ATOM 1114 CG GLU A 78 8.118 -4.912 -0.313 1.00 0.00 C ATOM 1115 CD GLU A 78 8.764 -4.799 -1.681 1.00 0.00 C ATOM 1116 OE1 GLU A 78 9.398 -5.782 -2.119 1.00 0.00 O ATOM 1117 OE2 GLU A 78 8.636 -3.730 -2.312 1.00 0.00 O ATOM 0 H GLU A 78 5.642 -3.757 0.559 1.00 0.00 H new ATOM 0 HA GLU A 78 6.015 -4.809 -2.083 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.537 -5.946 0.690 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.056 -6.703 -0.803 1.00 0.00 H new ATOM 0 HG2 GLU A 78 7.891 -3.914 0.061 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.827 -5.360 0.384 1.00 0.00 H new ATOM 1124 N MET A 79 3.820 -6.244 -0.068 1.00 0.00 N ATOM 1125 CA MET A 79 2.672 -7.142 -0.037 1.00 0.00 C ATOM 1126 C MET A 79 1.659 -6.767 -1.115 1.00 0.00 C ATOM 1127 O MET A 79 1.033 -7.636 -1.722 1.00 0.00 O ATOM 1128 CB MET A 79 2.006 -7.106 1.340 1.00 0.00 C ATOM 1129 CG MET A 79 2.650 -8.042 2.350 1.00 0.00 C ATOM 1130 SD MET A 79 2.415 -7.494 4.052 1.00 0.00 S ATOM 1131 CE MET A 79 0.662 -7.128 4.051 1.00 0.00 C ATOM 0 H MET A 79 4.036 -5.805 0.827 1.00 0.00 H new ATOM 0 HA MET A 79 3.028 -8.153 -0.234 1.00 0.00 H new ATOM 0 HB2 MET A 79 2.043 -6.087 1.726 1.00 0.00 H new ATOM 0 HB3 MET A 79 0.954 -7.369 1.233 1.00 0.00 H new ATOM 0 HG2 MET A 79 2.230 -9.041 2.233 1.00 0.00 H new ATOM 0 HG3 MET A 79 3.717 -8.118 2.141 1.00 0.00 H new ATOM 0 HE1 MET A 79 0.345 -6.861 5.059 1.00 0.00 H new ATOM 0 HE2 MET A 79 0.465 -6.295 3.377 1.00 0.00 H new ATOM 0 HE3 MET A 79 0.107 -8.005 3.716 1.00 0.00 H new ATOM 1141 N VAL A 80 1.502 -5.468 -1.346 1.00 0.00 N ATOM 1142 CA VAL A 80 0.565 -4.978 -2.351 1.00 0.00 C ATOM 1143 C VAL A 80 1.162 -5.071 -3.751 1.00 0.00 C ATOM 1144 O VAL A 80 0.512 -5.541 -4.685 1.00 0.00 O ATOM 1145 CB VAL A 80 0.158 -3.519 -2.075 1.00 0.00 C ATOM 1146 CG1 VAL A 80 -0.926 -3.074 -3.044 1.00 0.00 C ATOM 1147 CG2 VAL A 80 -0.305 -3.359 -0.634 1.00 0.00 C ATOM 0 H VAL A 80 2.011 -4.736 -0.851 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.320 -5.612 -2.294 1.00 0.00 H new ATOM 0 HB VAL A 80 1.030 -2.882 -2.226 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.200 -2.040 -2.833 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.554 -3.150 -4.066 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.802 -3.713 -2.929 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.589 -2.322 -0.456 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.163 -4.006 -0.454 1.00 0.00 H new ATOM 0 HG23 VAL A 80 0.505 -3.634 0.041 1.00 0.00 H new ATOM 1157 N LEU A 81 2.405 -4.622 -3.889 1.00 0.00 N ATOM 1158 CA LEU A 81 3.092 -4.655 -5.176 1.00 0.00 C ATOM 1159 C LEU A 81 3.126 -6.072 -5.738 1.00 0.00 C ATOM 1160 O LEU A 81 2.894 -6.283 -6.928 1.00 0.00 O ATOM 1161 CB LEU A 81 4.516 -4.117 -5.029 1.00 0.00 C ATOM 1162 CG LEU A 81 4.684 -2.606 -5.200 1.00 0.00 C ATOM 1163 CD1 LEU A 81 6.036 -2.156 -4.670 1.00 0.00 C ATOM 1164 CD2 LEU A 81 4.524 -2.214 -6.662 1.00 0.00 C ATOM 0 H LEU A 81 2.958 -4.231 -3.126 1.00 0.00 H new ATOM 0 HA LEU A 81 2.541 -4.022 -5.872 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.888 -4.394 -4.043 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.150 -4.618 -5.761 1.00 0.00 H new ATOM 0 HG LEU A 81 3.906 -2.105 -4.623 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.138 -1.079 -4.800 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.112 -2.402 -3.611 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.829 -2.664 -5.218 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.647 -1.136 -6.765 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.279 -2.724 -7.260 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.531 -2.501 -7.009 1.00 0.00 H new ATOM 1176 N GLU A 82 3.417 -7.040 -4.874 1.00 0.00 N ATOM 1177 CA GLU A 82 3.480 -8.437 -5.285 1.00 0.00 C ATOM 1178 C GLU A 82 2.100 -8.949 -5.686 1.00 0.00 C ATOM 1179 O GLU A 82 1.973 -9.802 -6.565 1.00 0.00 O ATOM 1180 CB GLU A 82 4.048 -9.299 -4.156 1.00 0.00 C ATOM 1181 CG GLU A 82 4.119 -10.778 -4.496 1.00 0.00 C ATOM 1182 CD GLU A 82 4.487 -11.635 -3.300 1.00 0.00 C ATOM 1183 OE1 GLU A 82 3.873 -11.450 -2.228 1.00 0.00 O ATOM 1184 OE2 GLU A 82 5.388 -12.488 -3.435 1.00 0.00 O ATOM 0 H GLU A 82 3.613 -6.882 -3.886 1.00 0.00 H new ATOM 0 HA GLU A 82 4.139 -8.505 -6.151 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.048 -8.944 -3.907 1.00 0.00 H new ATOM 0 HB3 GLU A 82 3.433 -9.169 -3.266 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.156 -11.103 -4.889 1.00 0.00 H new ATOM 0 HG3 GLU A 82 4.853 -10.930 -5.287 1.00 0.00 H new ATOM 1191 N LEU A 83 1.068 -8.424 -5.034 1.00 0.00 N ATOM 1192 CA LEU A 83 -0.304 -8.828 -5.321 1.00 0.00 C ATOM 1193 C LEU A 83 -0.649 -8.583 -6.786 1.00 0.00 C ATOM 1194 O LEU A 83 -1.317 -9.399 -7.422 1.00 0.00 O ATOM 1195 CB LEU A 83 -1.279 -8.066 -4.421 1.00 0.00 C ATOM 1196 CG LEU A 83 -2.601 -8.771 -4.116 1.00 0.00 C ATOM 1197 CD1 LEU A 83 -3.323 -9.133 -5.405 1.00 0.00 C ATOM 1198 CD2 LEU A 83 -2.361 -10.013 -3.271 1.00 0.00 C ATOM 0 H LEU A 83 1.155 -7.718 -4.303 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.392 -9.896 -5.120 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.779 -7.851 -3.477 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.501 -7.107 -4.889 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.233 -8.087 -3.549 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -4.262 -9.634 -5.168 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -3.529 -8.226 -5.974 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -2.696 -9.799 -5.998 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.313 -10.502 -3.064 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -1.710 -10.700 -3.811 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -1.888 -9.728 -2.332 1.00 0.00 H new ATOM 1210 N ILE A 84 -0.187 -7.455 -7.317 1.00 0.00 N ATOM 1211 CA ILE A 84 -0.444 -7.105 -8.708 1.00 0.00 C ATOM 1212 C ILE A 84 0.537 -7.806 -9.642 1.00 0.00 C ATOM 1213 O ILE A 84 0.264 -7.978 -10.830 1.00 0.00 O ATOM 1214 CB ILE A 84 -0.350 -5.584 -8.932 1.00 0.00 C ATOM 1215 CG1 ILE A 84 1.070 -5.091 -8.645 1.00 0.00 C ATOM 1216 CG2 ILE A 84 -1.357 -4.856 -8.054 1.00 0.00 C ATOM 1217 CD1 ILE A 84 1.468 -3.884 -9.465 1.00 0.00 C ATOM 0 H ILE A 84 0.367 -6.769 -6.805 1.00 0.00 H new ATOM 0 HA ILE A 84 -1.458 -7.436 -8.934 1.00 0.00 H new ATOM 0 HB ILE A 84 -0.585 -5.370 -9.975 1.00 0.00 H new ATOM 0 HG12 ILE A 84 1.153 -4.844 -7.587 1.00 0.00 H new ATOM 0 HG13 ILE A 84 1.773 -5.901 -8.840 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.278 -3.782 -8.224 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.365 -5.190 -8.302 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.151 -5.074 -7.006 1.00 0.00 H new ATOM 0 HD11 ILE A 84 2.486 -3.590 -9.209 1.00 0.00 H new ATOM 0 HD12 ILE A 84 1.417 -4.132 -10.525 1.00 0.00 H new ATOM 0 HD13 ILE A 84 0.788 -3.059 -9.252 1.00 0.00 H new ATOM 1229 N ARG A 85 1.678 -8.211 -9.095 1.00 0.00 N ATOM 1230 CA ARG A 85 2.700 -8.896 -9.879 1.00 0.00 C ATOM 1231 C ARG A 85 2.370 -10.378 -10.026 1.00 0.00 C ATOM 1232 O ARG A 85 1.618 -10.939 -9.229 1.00 0.00 O ATOM 1233 CB ARG A 85 4.072 -8.729 -9.224 1.00 0.00 C ATOM 1234 CG ARG A 85 4.683 -7.353 -9.431 1.00 0.00 C ATOM 1235 CD ARG A 85 6.094 -7.280 -8.868 1.00 0.00 C ATOM 1236 NE ARG A 85 6.756 -6.024 -9.211 1.00 0.00 N ATOM 1237 CZ ARG A 85 7.865 -5.593 -8.622 1.00 0.00 C ATOM 1238 NH1 ARG A 85 8.435 -6.314 -7.666 1.00 0.00 N ATOM 1239 NH2 ARG A 85 8.408 -4.439 -8.989 1.00 0.00 N ATOM 0 H ARG A 85 1.919 -8.077 -8.113 1.00 0.00 H new ATOM 0 HA ARG A 85 2.723 -8.447 -10.872 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.980 -8.919 -8.155 1.00 0.00 H new ATOM 0 HB3 ARG A 85 4.750 -9.482 -9.625 1.00 0.00 H new ATOM 0 HG2 ARG A 85 4.702 -7.118 -10.495 1.00 0.00 H new ATOM 0 HG3 ARG A 85 4.059 -6.600 -8.950 1.00 0.00 H new ATOM 0 HD2 ARG A 85 6.058 -7.386 -7.784 1.00 0.00 H new ATOM 0 HD3 ARG A 85 6.681 -8.115 -9.251 1.00 0.00 H new ATOM 0 HE ARG A 85 6.344 -5.446 -9.943 1.00 0.00 H new ATOM 0 HH11 ARG A 85 8.021 -7.202 -7.382 1.00 0.00 H new ATOM 0 HH12 ARG A 85 9.287 -5.981 -7.215 1.00 0.00 H new ATOM 0 HH21 ARG A 85 7.973 -3.882 -9.725 1.00 0.00 H new ATOM 0 HH22 ARG A 85 9.260 -4.109 -8.536 1.00 0.00 H new ATOM 1253 N ASP A 86 2.938 -11.007 -11.049 1.00 0.00 N ATOM 1254 CA ASP A 86 2.706 -12.424 -11.300 1.00 0.00 C ATOM 1255 C ASP A 86 3.054 -13.258 -10.071 1.00 0.00 C ATOM 1256 O ASP A 86 4.214 -13.327 -9.666 1.00 0.00 O ATOM 1257 CB ASP A 86 3.529 -12.893 -12.501 1.00 0.00 C ATOM 1258 CG ASP A 86 2.958 -14.143 -13.142 1.00 0.00 C ATOM 1259 OD1 ASP A 86 3.005 -15.214 -12.501 1.00 0.00 O ATOM 1260 OD2 ASP A 86 2.463 -14.049 -14.285 1.00 0.00 O ATOM 0 H ASP A 86 3.563 -10.557 -11.718 1.00 0.00 H new ATOM 0 HA ASP A 86 1.647 -12.560 -11.520 1.00 0.00 H new ATOM 0 HB2 ASP A 86 3.572 -12.095 -13.242 1.00 0.00 H new ATOM 0 HB3 ASP A 86 4.553 -13.087 -12.182 1.00 0.00 H new ATOM 1265 N GLN A 87 2.043 -13.889 -9.484 1.00 0.00 N ATOM 1266 CA GLN A 87 2.243 -14.717 -8.300 1.00 0.00 C ATOM 1267 C GLN A 87 2.956 -16.016 -8.659 1.00 0.00 C ATOM 1268 O GLN A 87 2.448 -16.820 -9.439 1.00 0.00 O ATOM 1269 CB GLN A 87 0.901 -15.025 -7.635 1.00 0.00 C ATOM 1270 CG GLN A 87 0.478 -13.986 -6.608 1.00 0.00 C ATOM 1271 CD GLN A 87 -1.026 -13.922 -6.429 1.00 0.00 C ATOM 1272 OE1 GLN A 87 -1.750 -14.834 -6.828 1.00 0.00 O ATOM 1273 NE2 GLN A 87 -1.504 -12.840 -5.825 1.00 0.00 N ATOM 0 H GLN A 87 1.077 -13.843 -9.808 1.00 0.00 H new ATOM 0 HA GLN A 87 2.868 -14.162 -7.600 1.00 0.00 H new ATOM 0 HB2 GLN A 87 0.132 -15.098 -8.404 1.00 0.00 H new ATOM 0 HB3 GLN A 87 0.960 -16.000 -7.150 1.00 0.00 H new ATOM 0 HG2 GLN A 87 0.945 -14.216 -5.650 1.00 0.00 H new ATOM 0 HG3 GLN A 87 0.846 -13.007 -6.915 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -0.867 -12.108 -5.510 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -2.508 -12.741 -5.676 1.00 0.00 H new ATOM 1282 N GLY A 88 4.139 -16.215 -8.084 1.00 0.00 N ATOM 1283 CA GLY A 88 4.903 -17.418 -8.356 1.00 0.00 C ATOM 1284 C GLY A 88 5.082 -18.282 -7.124 1.00 0.00 C ATOM 1285 O GLY A 88 4.140 -18.486 -6.358 1.00 0.00 O ATOM 0 H GLY A 88 4.581 -15.564 -7.435 1.00 0.00 H new ATOM 0 HA2 GLY A 88 4.401 -17.996 -9.132 1.00 0.00 H new ATOM 0 HA3 GLY A 88 5.882 -17.142 -8.748 1.00 0.00 H new ATOM 1289 N SER A 89 6.295 -18.792 -6.932 1.00 0.00 N ATOM 1290 CA SER A 89 6.593 -19.644 -5.787 1.00 0.00 C ATOM 1291 C SER A 89 7.780 -19.099 -4.999 1.00 0.00 C ATOM 1292 O SER A 89 8.932 -19.419 -5.290 1.00 0.00 O ATOM 1293 CB SER A 89 6.886 -21.073 -6.249 1.00 0.00 C ATOM 1294 OG SER A 89 6.917 -21.968 -5.151 1.00 0.00 O ATOM 0 H SER A 89 7.087 -18.630 -7.555 1.00 0.00 H new ATOM 0 HA SER A 89 5.719 -19.653 -5.135 1.00 0.00 H new ATOM 0 HB2 SER A 89 6.124 -21.392 -6.961 1.00 0.00 H new ATOM 0 HB3 SER A 89 7.842 -21.101 -6.772 1.00 0.00 H new ATOM 0 HG SER A 89 7.104 -22.874 -5.473 1.00 0.00 H new ATOM 1300 N GLY A 90 7.490 -18.273 -3.999 1.00 0.00 N ATOM 1301 CA GLY A 90 8.543 -17.695 -3.184 1.00 0.00 C ATOM 1302 C GLY A 90 8.000 -16.851 -2.048 1.00 0.00 C ATOM 1303 O GLY A 90 6.991 -16.160 -2.187 1.00 0.00 O ATOM 0 H GLY A 90 6.544 -17.993 -3.738 1.00 0.00 H new ATOM 0 HA2 GLY A 90 9.162 -18.494 -2.775 1.00 0.00 H new ATOM 0 HA3 GLY A 90 9.189 -17.081 -3.812 1.00 0.00 H new ATOM 1307 N PRO A 91 8.678 -16.902 -0.892 1.00 0.00 N ATOM 1308 CA PRO A 91 8.275 -16.142 0.296 1.00 0.00 C ATOM 1309 C PRO A 91 8.487 -14.642 0.124 1.00 0.00 C ATOM 1310 O PRO A 91 9.566 -14.122 0.408 1.00 0.00 O ATOM 1311 CB PRO A 91 9.190 -16.690 1.394 1.00 0.00 C ATOM 1312 CG PRO A 91 10.389 -17.197 0.670 1.00 0.00 C ATOM 1313 CD PRO A 91 9.890 -17.704 -0.654 1.00 0.00 C ATOM 0 HA PRO A 91 7.213 -16.255 0.512 1.00 0.00 H new ATOM 0 HB2 PRO A 91 9.459 -15.913 2.110 1.00 0.00 H new ATOM 0 HB3 PRO A 91 8.701 -17.486 1.956 1.00 0.00 H new ATOM 0 HG2 PRO A 91 11.125 -16.405 0.532 1.00 0.00 H new ATOM 0 HG3 PRO A 91 10.878 -17.992 1.233 1.00 0.00 H new ATOM 0 HD2 PRO A 91 10.628 -17.561 -1.443 1.00 0.00 H new ATOM 0 HD3 PRO A 91 9.666 -18.770 -0.617 1.00 0.00 H new ATOM 1321 N SER A 92 7.451 -13.952 -0.342 1.00 0.00 N ATOM 1322 CA SER A 92 7.526 -12.511 -0.554 1.00 0.00 C ATOM 1323 C SER A 92 8.321 -11.838 0.561 1.00 0.00 C ATOM 1324 O SER A 92 9.265 -11.092 0.301 1.00 0.00 O ATOM 1325 CB SER A 92 6.120 -11.912 -0.627 1.00 0.00 C ATOM 1326 OG SER A 92 6.145 -10.623 -1.216 1.00 0.00 O ATOM 0 H SER A 92 6.550 -14.367 -0.580 1.00 0.00 H new ATOM 0 HA SER A 92 8.039 -12.334 -1.499 1.00 0.00 H new ATOM 0 HB2 SER A 92 5.471 -12.568 -1.208 1.00 0.00 H new ATOM 0 HB3 SER A 92 5.695 -11.849 0.375 1.00 0.00 H new ATOM 0 HG SER A 92 5.230 -10.339 -1.421 1.00 0.00 H new ATOM 1332 N SER A 93 7.931 -12.108 1.802 1.00 0.00 N ATOM 1333 CA SER A 93 8.604 -11.526 2.958 1.00 0.00 C ATOM 1334 C SER A 93 9.616 -12.504 3.547 1.00 0.00 C ATOM 1335 O SER A 93 9.260 -13.604 3.967 1.00 0.00 O ATOM 1336 CB SER A 93 7.581 -11.128 4.024 1.00 0.00 C ATOM 1337 OG SER A 93 6.808 -12.244 4.430 1.00 0.00 O ATOM 0 H SER A 93 7.153 -12.726 2.033 1.00 0.00 H new ATOM 0 HA SER A 93 9.137 -10.635 2.626 1.00 0.00 H new ATOM 0 HB2 SER A 93 8.096 -10.705 4.887 1.00 0.00 H new ATOM 0 HB3 SER A 93 6.925 -10.351 3.631 1.00 0.00 H new ATOM 0 HG SER A 93 7.393 -13.022 4.546 1.00 0.00 H new ATOM 1343 N GLY A 94 10.880 -12.094 3.574 1.00 0.00 N ATOM 1344 CA GLY A 94 11.925 -12.945 4.113 1.00 0.00 C ATOM 1345 C GLY A 94 11.549 -13.546 5.453 1.00 0.00 C ATOM 1346 O GLY A 94 11.969 -14.655 5.783 1.00 0.00 O ATOM 0 H GLY A 94 11.199 -11.188 3.232 1.00 0.00 H new ATOM 0 HA2 GLY A 94 12.138 -13.746 3.406 1.00 0.00 H new ATOM 0 HA3 GLY A 94 12.841 -12.365 4.223 1.00 0.00 H new TER 1350 GLY A 94