USER MOD reduce.3.24.130724 H: found=0, std=0, add=903, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 903 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 115 LYS NZ :NH3+ -157:sc= 0.225 (180deg=0) USER MOD Set 1.2: A 119 TYR OH : rot 30:sc= 0.212 USER MOD Set 2.1: A 76 SER OG : rot -155:sc= 0.013 USER MOD Set 2.2: A 78 TYR OH : rot 180:sc= -0.282 USER MOD Set 3.1: A 17 THR OG1 : rot 163:sc= 1.3 USER MOD Set 3.2: A 101 ASN : amide:sc= -3.67 K(o=-2.4,f=-11!) USER MOD Single : A 3 GLN :FLIP amide:sc= 0 F(o=-0.77,f=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0798 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot -67:sc= 0.884 USER MOD Single : A 18 GLN : amide:sc= -2.95! C(o=-3!,f=-9.7!) USER MOD Single : A 27 ASN : amide:sc= -0.0986 X(o=-0.099,f=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= -4.05! USER MOD Single : A 32 SER OG : rot -26:sc= -4.36! USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.318 K(o=-0.32,f=-2.3) USER MOD Single : A 43 GLN : amide:sc= -0.265 K(o=-0.26,f=-1.9!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.0158 X(o=-0.016,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.778 K(o=-0.78,f=-2.9) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= -0.0906 X(o=-0.091,f=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 127:sc= -0.128 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 164:sc= -0.0364 (180deg=-0.425) USER MOD Single : A 83 SER OG : rot -130:sc= -1.82! USER MOD Single : A 88 THR OG1 : rot -125:sc= -1.05 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 160:sc= 1.8 USER MOD Single : A 92 SER OG : rot 180:sc= -0.0208 USER MOD Single : A 93 LYS NZ :NH3+ -159:sc= -0.096 (180deg=-0.791) USER MOD Single : A 94 SER OG : rot 180:sc= -0.121 USER MOD Single : A 100 TYR OH : rot 150:sc= -1.13 USER MOD Single : A 103 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.271) USER MOD Single : A 105 GLN : amide:sc= -0.078 K(o=-0.078,f=-2!) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 123 GLN : amide:sc= -0.0945 K(o=-0.094,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 14 N TRP A 2 8.110 2.922 -2.271 1.00 0.00 N ATOM 15 CA TRP A 2 9.103 3.980 -1.927 1.00 0.00 C ATOM 16 C TRP A 2 9.661 4.590 -3.216 1.00 0.00 C ATOM 17 O TRP A 2 9.368 4.141 -4.301 1.00 0.00 O ATOM 18 CB TRP A 2 10.238 3.373 -1.107 1.00 0.00 C ATOM 19 CG TRP A 2 9.697 2.277 -0.243 1.00 0.00 C ATOM 20 CD1 TRP A 2 10.041 0.971 -0.330 1.00 0.00 C ATOM 21 CD2 TRP A 2 8.715 2.371 0.826 1.00 0.00 C ATOM 22 NE1 TRP A 2 9.344 0.261 0.631 1.00 0.00 N ATOM 23 CE2 TRP A 2 8.512 1.080 1.367 1.00 0.00 C ATOM 24 CE3 TRP A 2 7.991 3.443 1.375 1.00 0.00 C ATOM 25 CZ2 TRP A 2 7.626 0.860 2.419 1.00 0.00 C ATOM 26 CZ3 TRP A 2 7.096 3.225 2.434 1.00 0.00 C ATOM 27 CH2 TRP A 2 6.914 1.935 2.956 1.00 0.00 C ATOM 0 HA TRP A 2 8.617 4.759 -1.339 1.00 0.00 H new ATOM 0 HB2 TRP A 2 11.010 2.981 -1.769 1.00 0.00 H new ATOM 0 HB3 TRP A 2 10.706 4.140 -0.490 1.00 0.00 H new ATOM 0 HD1 TRP A 2 10.744 0.552 -1.034 1.00 0.00 H new ATOM 0 HE1 TRP A 2 9.434 -0.744 0.778 1.00 0.00 H new ATOM 0 HE3 TRP A 2 8.124 4.439 0.980 1.00 0.00 H new ATOM 0 HZ2 TRP A 2 7.490 -0.135 2.817 1.00 0.00 H new ATOM 0 HZ3 TRP A 2 6.544 4.055 2.850 1.00 0.00 H new ATOM 0 HH2 TRP A 2 6.225 1.774 3.772 1.00 0.00 H new ATOM 38 N GLN A 3 10.449 5.623 -3.109 1.00 0.00 N ATOM 39 CA GLN A 3 10.999 6.270 -4.336 1.00 0.00 C ATOM 40 C GLN A 3 12.229 5.512 -4.856 1.00 0.00 C ATOM 41 O GLN A 3 12.120 4.613 -5.669 1.00 0.00 O ATOM 42 CB GLN A 3 11.385 7.714 -4.007 1.00 0.00 C ATOM 43 CG GLN A 3 10.144 8.478 -3.546 1.00 0.00 C ATOM 44 CD GLN A 3 10.538 9.907 -3.165 1.00 0.00 C ATOM 45 OE1 GLN A 3 11.507 10.496 -3.811 1.00 0.00 O flip ATOM 46 NE2 GLN A 3 9.958 10.492 -2.273 1.00 0.00 N flip ATOM 0 H GLN A 3 10.736 6.048 -2.227 1.00 0.00 H new ATOM 0 HA GLN A 3 10.236 6.252 -5.114 1.00 0.00 H new ATOM 0 HB2 GLN A 3 12.146 7.730 -3.227 1.00 0.00 H new ATOM 0 HB3 GLN A 3 11.817 8.196 -4.884 1.00 0.00 H new ATOM 0 HG2 GLN A 3 9.398 8.494 -4.340 1.00 0.00 H new ATOM 0 HG3 GLN A 3 9.690 7.975 -2.693 1.00 0.00 H new ATOM 0 HE21 GLN A 3 9.201 10.031 -1.769 1.00 0.00 H new ATOM 0 HE22 GLN A 3 10.228 11.445 -2.028 1.00 0.00 H new ATOM 55 N THR A 4 13.401 5.883 -4.413 1.00 0.00 N ATOM 56 CA THR A 4 14.637 5.205 -4.899 1.00 0.00 C ATOM 57 C THR A 4 14.465 3.686 -4.848 1.00 0.00 C ATOM 58 O THR A 4 14.981 2.967 -5.682 1.00 0.00 O ATOM 59 CB THR A 4 15.819 5.616 -4.019 1.00 0.00 C ATOM 60 OG1 THR A 4 15.521 6.846 -3.372 1.00 0.00 O ATOM 61 CG2 THR A 4 17.068 5.784 -4.885 1.00 0.00 C ATOM 0 H THR A 4 13.555 6.628 -3.734 1.00 0.00 H new ATOM 0 HA THR A 4 14.823 5.503 -5.931 1.00 0.00 H new ATOM 0 HB THR A 4 16.000 4.845 -3.270 1.00 0.00 H new ATOM 0 HG1 THR A 4 16.277 7.110 -2.807 1.00 0.00 H new ATOM 0 HG21 THR A 4 17.909 6.077 -4.257 1.00 0.00 H new ATOM 0 HG22 THR A 4 17.296 4.841 -5.381 1.00 0.00 H new ATOM 0 HG23 THR A 4 16.890 6.554 -5.635 1.00 0.00 H new ATOM 69 N TYR A 5 13.755 3.186 -3.876 1.00 0.00 N ATOM 70 CA TYR A 5 13.569 1.710 -3.774 1.00 0.00 C ATOM 71 C TYR A 5 12.641 1.228 -4.901 1.00 0.00 C ATOM 72 O TYR A 5 12.842 0.178 -5.478 1.00 0.00 O ATOM 73 CB TYR A 5 12.962 1.370 -2.407 1.00 0.00 C ATOM 74 CG TYR A 5 13.670 2.145 -1.311 1.00 0.00 C ATOM 75 CD1 TYR A 5 14.925 2.724 -1.550 1.00 0.00 C ATOM 76 CD2 TYR A 5 13.073 2.276 -0.047 1.00 0.00 C ATOM 77 CE1 TYR A 5 15.578 3.431 -0.534 1.00 0.00 C ATOM 78 CE2 TYR A 5 13.730 2.983 0.968 1.00 0.00 C ATOM 79 CZ TYR A 5 14.980 3.561 0.724 1.00 0.00 C ATOM 80 OH TYR A 5 15.626 4.255 1.727 1.00 0.00 O ATOM 0 H TYR A 5 13.296 3.734 -3.148 1.00 0.00 H new ATOM 0 HA TYR A 5 14.532 1.209 -3.873 1.00 0.00 H new ATOM 0 HB2 TYR A 5 11.899 1.610 -2.403 1.00 0.00 H new ATOM 0 HB3 TYR A 5 13.048 0.300 -2.219 1.00 0.00 H new ATOM 0 HD1 TYR A 5 15.388 2.624 -2.520 1.00 0.00 H new ATOM 0 HD2 TYR A 5 12.107 1.832 0.143 1.00 0.00 H new ATOM 0 HE1 TYR A 5 16.544 3.876 -0.721 1.00 0.00 H new ATOM 0 HE2 TYR A 5 13.271 3.082 1.940 1.00 0.00 H new ATOM 0 HH TYR A 5 15.073 4.251 2.536 1.00 0.00 H new ATOM 90 N VAL A 6 11.633 1.996 -5.223 1.00 0.00 N ATOM 91 CA VAL A 6 10.690 1.600 -6.316 1.00 0.00 C ATOM 92 C VAL A 6 11.485 1.251 -7.576 1.00 0.00 C ATOM 93 O VAL A 6 11.015 0.555 -8.451 1.00 0.00 O ATOM 94 CB VAL A 6 9.755 2.792 -6.603 1.00 0.00 C ATOM 95 CG1 VAL A 6 9.582 3.036 -8.111 1.00 0.00 C ATOM 96 CG2 VAL A 6 8.378 2.520 -5.991 1.00 0.00 C ATOM 0 H VAL A 6 11.420 2.887 -4.774 1.00 0.00 H new ATOM 0 HA VAL A 6 10.106 0.730 -6.016 1.00 0.00 H new ATOM 0 HB VAL A 6 10.209 3.679 -6.161 1.00 0.00 H new ATOM 0 HG11 VAL A 6 8.916 3.884 -8.268 1.00 0.00 H new ATOM 0 HG12 VAL A 6 10.553 3.249 -8.559 1.00 0.00 H new ATOM 0 HG13 VAL A 6 9.155 2.148 -8.577 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.717 3.363 -6.194 1.00 0.00 H new ATOM 0 HG22 VAL A 6 7.957 1.615 -6.429 1.00 0.00 H new ATOM 0 HG23 VAL A 6 8.478 2.389 -4.914 1.00 0.00 H new ATOM 106 N ASP A 7 12.658 1.777 -7.689 1.00 0.00 N ATOM 107 CA ASP A 7 13.475 1.529 -8.906 1.00 0.00 C ATOM 108 C ASP A 7 13.357 0.076 -9.366 1.00 0.00 C ATOM 109 O ASP A 7 12.516 -0.255 -10.178 1.00 0.00 O ATOM 110 CB ASP A 7 14.939 1.873 -8.616 1.00 0.00 C ATOM 111 CG ASP A 7 15.785 1.649 -9.872 1.00 0.00 C ATOM 112 OD1 ASP A 7 15.547 0.668 -10.558 1.00 0.00 O ATOM 113 OD2 ASP A 7 16.658 2.461 -10.127 1.00 0.00 O ATOM 0 H ASP A 7 13.096 2.375 -6.988 1.00 0.00 H new ATOM 0 HA ASP A 7 13.101 2.164 -9.709 1.00 0.00 H new ATOM 0 HB2 ASP A 7 15.021 2.911 -8.292 1.00 0.00 H new ATOM 0 HB3 ASP A 7 15.312 1.254 -7.800 1.00 0.00 H new ATOM 118 N THR A 8 14.204 -0.785 -8.890 1.00 0.00 N ATOM 119 CA THR A 8 14.137 -2.205 -9.352 1.00 0.00 C ATOM 120 C THR A 8 14.473 -3.179 -8.218 1.00 0.00 C ATOM 121 O THR A 8 14.092 -4.332 -8.257 1.00 0.00 O ATOM 122 CB THR A 8 15.135 -2.406 -10.494 1.00 0.00 C ATOM 123 OG1 THR A 8 15.054 -3.745 -10.958 1.00 0.00 O ATOM 124 CG2 THR A 8 16.550 -2.119 -9.993 1.00 0.00 C ATOM 0 H THR A 8 14.934 -0.577 -8.209 1.00 0.00 H new ATOM 0 HA THR A 8 13.120 -2.408 -9.688 1.00 0.00 H new ATOM 0 HB THR A 8 14.898 -1.724 -11.311 1.00 0.00 H new ATOM 0 HG1 THR A 8 15.691 -3.876 -11.691 1.00 0.00 H new ATOM 0 HG21 THR A 8 17.260 -2.262 -10.807 1.00 0.00 H new ATOM 0 HG22 THR A 8 16.608 -1.090 -9.637 1.00 0.00 H new ATOM 0 HG23 THR A 8 16.792 -2.799 -9.176 1.00 0.00 H new ATOM 132 N ASN A 9 15.190 -2.750 -7.220 1.00 0.00 N ATOM 133 CA ASN A 9 15.532 -3.686 -6.115 1.00 0.00 C ATOM 134 C ASN A 9 14.309 -3.899 -5.232 1.00 0.00 C ATOM 135 O ASN A 9 13.882 -5.010 -5.020 1.00 0.00 O ATOM 136 CB ASN A 9 16.674 -3.104 -5.279 1.00 0.00 C ATOM 137 CG ASN A 9 18.015 -3.580 -5.842 1.00 0.00 C ATOM 138 OD1 ASN A 9 18.703 -2.838 -6.514 1.00 0.00 O ATOM 139 ND2 ASN A 9 18.416 -4.798 -5.597 1.00 0.00 N ATOM 0 H ASN A 9 15.551 -1.801 -7.121 1.00 0.00 H new ATOM 0 HA ASN A 9 15.847 -4.641 -6.536 1.00 0.00 H new ATOM 0 HB2 ASN A 9 16.629 -2.015 -5.291 1.00 0.00 H new ATOM 0 HB3 ASN A 9 16.573 -3.416 -4.239 1.00 0.00 H new ATOM 0 HD21 ASN A 9 19.307 -5.126 -5.970 1.00 0.00 H new ATOM 0 HD22 ASN A 9 17.838 -5.421 -5.033 1.00 0.00 H new ATOM 146 N LEU A 10 13.742 -2.847 -4.716 1.00 0.00 N ATOM 147 CA LEU A 10 12.544 -3.000 -3.845 1.00 0.00 C ATOM 148 C LEU A 10 11.312 -3.272 -4.702 1.00 0.00 C ATOM 149 O LEU A 10 10.352 -3.863 -4.253 1.00 0.00 O ATOM 150 CB LEU A 10 12.327 -1.712 -3.061 1.00 0.00 C ATOM 151 CG LEU A 10 12.571 -1.971 -1.574 1.00 0.00 C ATOM 152 CD1 LEU A 10 11.540 -2.977 -1.057 1.00 0.00 C ATOM 153 CD2 LEU A 10 13.979 -2.538 -1.379 1.00 0.00 C ATOM 0 H LEU A 10 14.056 -1.887 -4.859 1.00 0.00 H new ATOM 0 HA LEU A 10 12.702 -3.834 -3.161 1.00 0.00 H new ATOM 0 HB2 LEU A 10 13.003 -0.936 -3.421 1.00 0.00 H new ATOM 0 HB3 LEU A 10 11.312 -1.347 -3.215 1.00 0.00 H new ATOM 0 HG LEU A 10 12.476 -1.036 -1.022 1.00 0.00 H new ATOM 0 HD11 LEU A 10 11.713 -3.163 0.003 1.00 0.00 H new ATOM 0 HD12 LEU A 10 10.537 -2.574 -1.196 1.00 0.00 H new ATOM 0 HD13 LEU A 10 11.635 -3.912 -1.609 1.00 0.00 H new ATOM 0 HD21 LEU A 10 14.153 -2.723 -0.319 1.00 0.00 H new ATOM 0 HD22 LEU A 10 14.074 -3.473 -1.931 1.00 0.00 H new ATOM 0 HD23 LEU A 10 14.714 -1.822 -1.748 1.00 0.00 H new ATOM 165 N VAL A 11 11.327 -2.847 -5.933 1.00 0.00 N ATOM 166 CA VAL A 11 10.147 -3.090 -6.804 1.00 0.00 C ATOM 167 C VAL A 11 10.359 -4.397 -7.562 1.00 0.00 C ATOM 168 O VAL A 11 9.544 -5.296 -7.496 1.00 0.00 O ATOM 169 CB VAL A 11 9.970 -1.903 -7.777 1.00 0.00 C ATOM 170 CG1 VAL A 11 9.408 -2.380 -9.123 1.00 0.00 C ATOM 171 CG2 VAL A 11 8.990 -0.901 -7.165 1.00 0.00 C ATOM 0 H VAL A 11 12.100 -2.345 -6.371 1.00 0.00 H new ATOM 0 HA VAL A 11 9.240 -3.173 -6.205 1.00 0.00 H new ATOM 0 HB VAL A 11 10.943 -1.441 -7.944 1.00 0.00 H new ATOM 0 HG11 VAL A 11 9.292 -1.527 -9.792 1.00 0.00 H new ATOM 0 HG12 VAL A 11 10.094 -3.100 -9.569 1.00 0.00 H new ATOM 0 HG13 VAL A 11 8.438 -2.852 -8.966 1.00 0.00 H new ATOM 0 HG21 VAL A 11 8.858 -0.059 -7.845 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.029 -1.387 -6.999 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.383 -0.542 -6.214 1.00 0.00 H new ATOM 181 N GLY A 12 11.451 -4.518 -8.270 1.00 0.00 N ATOM 182 CA GLY A 12 11.710 -5.785 -9.010 1.00 0.00 C ATOM 183 C GLY A 12 11.365 -6.949 -8.085 1.00 0.00 C ATOM 184 O GLY A 12 10.785 -7.935 -8.494 1.00 0.00 O ATOM 0 H GLY A 12 12.169 -3.800 -8.367 1.00 0.00 H new ATOM 0 HA2 GLY A 12 11.107 -5.827 -9.917 1.00 0.00 H new ATOM 0 HA3 GLY A 12 12.754 -5.840 -9.319 1.00 0.00 H new ATOM 188 N THR A 13 11.695 -6.815 -6.825 1.00 0.00 N ATOM 189 CA THR A 13 11.371 -7.884 -5.841 1.00 0.00 C ATOM 190 C THR A 13 12.256 -7.745 -4.607 1.00 0.00 C ATOM 191 O THR A 13 12.804 -8.705 -4.104 1.00 0.00 O ATOM 192 CB THR A 13 11.594 -9.254 -6.461 1.00 0.00 C ATOM 193 OG1 THR A 13 11.771 -10.226 -5.440 1.00 0.00 O ATOM 194 CG2 THR A 13 12.833 -9.210 -7.362 1.00 0.00 C ATOM 0 H THR A 13 12.178 -6.005 -6.437 1.00 0.00 H new ATOM 0 HA THR A 13 10.325 -7.782 -5.553 1.00 0.00 H new ATOM 0 HB THR A 13 10.723 -9.526 -7.057 1.00 0.00 H new ATOM 0 HG1 THR A 13 12.607 -10.048 -4.960 1.00 0.00 H new ATOM 0 HG21 THR A 13 12.994 -10.192 -7.807 1.00 0.00 H new ATOM 0 HG22 THR A 13 12.683 -8.474 -8.152 1.00 0.00 H new ATOM 0 HG23 THR A 13 13.705 -8.933 -6.769 1.00 0.00 H new ATOM 202 N GLY A 14 12.371 -6.565 -4.085 1.00 0.00 N ATOM 203 CA GLY A 14 13.184 -6.386 -2.856 1.00 0.00 C ATOM 204 C GLY A 14 12.242 -6.565 -1.671 1.00 0.00 C ATOM 205 O GLY A 14 12.501 -6.112 -0.574 1.00 0.00 O ATOM 0 H GLY A 14 11.940 -5.717 -4.453 1.00 0.00 H new ATOM 0 HA2 GLY A 14 13.994 -7.115 -2.819 1.00 0.00 H new ATOM 0 HA3 GLY A 14 13.644 -5.398 -2.838 1.00 0.00 H new ATOM 209 N ALA A 15 11.131 -7.220 -1.909 1.00 0.00 N ATOM 210 CA ALA A 15 10.124 -7.442 -0.843 1.00 0.00 C ATOM 211 C ALA A 15 8.788 -7.668 -1.538 1.00 0.00 C ATOM 212 O ALA A 15 7.953 -8.428 -1.088 1.00 0.00 O ATOM 213 CB ALA A 15 10.034 -6.213 0.068 1.00 0.00 C ATOM 0 H ALA A 15 10.882 -7.614 -2.816 1.00 0.00 H new ATOM 0 HA ALA A 15 10.398 -8.297 -0.225 1.00 0.00 H new ATOM 0 HB1 ALA A 15 9.291 -6.390 0.846 1.00 0.00 H new ATOM 0 HB2 ALA A 15 11.005 -6.030 0.529 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.742 -5.344 -0.521 1.00 0.00 H new ATOM 219 N VAL A 16 8.596 -7.020 -2.657 1.00 0.00 N ATOM 220 CA VAL A 16 7.339 -7.197 -3.419 1.00 0.00 C ATOM 221 C VAL A 16 7.685 -7.192 -4.906 1.00 0.00 C ATOM 222 O VAL A 16 8.603 -6.518 -5.331 1.00 0.00 O ATOM 223 CB VAL A 16 6.386 -6.043 -3.106 1.00 0.00 C ATOM 224 CG1 VAL A 16 5.957 -6.120 -1.640 1.00 0.00 C ATOM 225 CG2 VAL A 16 7.103 -4.714 -3.357 1.00 0.00 C ATOM 0 H VAL A 16 9.265 -6.372 -3.073 1.00 0.00 H new ATOM 0 HA VAL A 16 6.855 -8.135 -3.147 1.00 0.00 H new ATOM 0 HB VAL A 16 5.506 -6.111 -3.746 1.00 0.00 H new ATOM 0 HG11 VAL A 16 5.278 -5.298 -1.416 1.00 0.00 H new ATOM 0 HG12 VAL A 16 5.451 -7.068 -1.458 1.00 0.00 H new ATOM 0 HG13 VAL A 16 6.836 -6.049 -0.999 1.00 0.00 H new ATOM 0 HG21 VAL A 16 6.427 -3.888 -3.135 1.00 0.00 H new ATOM 0 HG22 VAL A 16 7.981 -4.647 -2.714 1.00 0.00 H new ATOM 0 HG23 VAL A 16 7.412 -4.659 -4.401 1.00 0.00 H new ATOM 235 N THR A 17 6.966 -7.926 -5.707 1.00 0.00 N ATOM 236 CA THR A 17 7.272 -7.939 -7.165 1.00 0.00 C ATOM 237 C THR A 17 6.656 -6.700 -7.820 1.00 0.00 C ATOM 238 O THR A 17 6.571 -6.598 -9.027 1.00 0.00 O ATOM 239 CB THR A 17 6.690 -9.201 -7.802 1.00 0.00 C ATOM 240 OG1 THR A 17 5.759 -9.797 -6.909 1.00 0.00 O ATOM 241 CG2 THR A 17 7.820 -10.187 -8.101 1.00 0.00 C ATOM 0 H THR A 17 6.184 -8.514 -5.419 1.00 0.00 H new ATOM 0 HA THR A 17 8.352 -7.931 -7.312 1.00 0.00 H new ATOM 0 HB THR A 17 6.182 -8.940 -8.731 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.192 -10.427 -7.400 1.00 0.00 H new ATOM 0 HG21 THR A 17 7.407 -11.087 -8.555 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.531 -9.728 -8.788 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.329 -10.449 -7.173 1.00 0.00 H new ATOM 249 N GLN A 18 6.225 -5.761 -7.025 1.00 0.00 N ATOM 250 CA GLN A 18 5.614 -4.526 -7.577 1.00 0.00 C ATOM 251 C GLN A 18 5.317 -3.577 -6.416 1.00 0.00 C ATOM 252 O GLN A 18 5.605 -3.879 -5.274 1.00 0.00 O ATOM 253 CB GLN A 18 4.312 -4.876 -8.300 1.00 0.00 C ATOM 254 CG GLN A 18 4.515 -4.754 -9.812 1.00 0.00 C ATOM 255 CD GLN A 18 3.446 -5.570 -10.542 1.00 0.00 C ATOM 256 OE1 GLN A 18 2.845 -5.101 -11.487 1.00 0.00 O ATOM 257 NE2 GLN A 18 3.182 -6.784 -10.142 1.00 0.00 N ATOM 0 H GLN A 18 6.272 -5.799 -6.007 1.00 0.00 H new ATOM 0 HA GLN A 18 6.295 -4.053 -8.285 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.004 -5.890 -8.045 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.513 -4.209 -7.975 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.457 -3.708 -10.113 1.00 0.00 H new ATOM 0 HG3 GLN A 18 5.508 -5.110 -10.085 1.00 0.00 H new ATOM 0 HE21 GLN A 18 3.686 -7.180 -9.348 1.00 0.00 H new ATOM 0 HE22 GLN A 18 2.472 -7.336 -10.623 1.00 0.00 H new ATOM 266 N ALA A 19 4.744 -2.443 -6.692 1.00 0.00 N ATOM 267 CA ALA A 19 4.428 -1.482 -5.597 1.00 0.00 C ATOM 268 C ALA A 19 4.202 -0.096 -6.192 1.00 0.00 C ATOM 269 O ALA A 19 4.791 0.261 -7.194 1.00 0.00 O ATOM 270 CB ALA A 19 5.592 -1.421 -4.604 1.00 0.00 C ATOM 0 H ALA A 19 4.479 -2.137 -7.628 1.00 0.00 H new ATOM 0 HA ALA A 19 3.529 -1.814 -5.077 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.354 -0.717 -3.807 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.758 -2.410 -4.177 1.00 0.00 H new ATOM 0 HB3 ALA A 19 6.494 -1.093 -5.120 1.00 0.00 H new ATOM 276 N ALA A 20 3.356 0.691 -5.591 1.00 0.00 N ATOM 277 CA ALA A 20 3.107 2.048 -6.135 1.00 0.00 C ATOM 278 C ALA A 20 3.042 3.052 -4.988 1.00 0.00 C ATOM 279 O ALA A 20 2.820 2.699 -3.847 1.00 0.00 O ATOM 280 CB ALA A 20 1.779 2.057 -6.901 1.00 0.00 C ATOM 0 H ALA A 20 2.829 0.453 -4.751 1.00 0.00 H new ATOM 0 HA ALA A 20 3.917 2.322 -6.811 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.596 3.054 -7.301 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.827 1.341 -7.721 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.968 1.782 -6.226 1.00 0.00 H new ATOM 286 N ILE A 21 3.225 4.303 -5.286 1.00 0.00 N ATOM 287 CA ILE A 21 3.159 5.344 -4.227 1.00 0.00 C ATOM 288 C ILE A 21 2.259 6.463 -4.739 1.00 0.00 C ATOM 289 O ILE A 21 2.676 7.329 -5.484 1.00 0.00 O ATOM 290 CB ILE A 21 4.564 5.862 -3.920 1.00 0.00 C ATOM 291 CG1 ILE A 21 5.403 4.713 -3.363 1.00 0.00 C ATOM 292 CG2 ILE A 21 4.491 6.979 -2.877 1.00 0.00 C ATOM 293 CD1 ILE A 21 6.879 4.964 -3.661 1.00 0.00 C ATOM 0 H ILE A 21 3.419 4.653 -6.224 1.00 0.00 H new ATOM 0 HA ILE A 21 2.751 4.937 -3.302 1.00 0.00 H new ATOM 0 HB ILE A 21 5.015 6.252 -4.833 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.249 4.625 -2.288 1.00 0.00 H new ATOM 0 HG13 ILE A 21 5.087 3.770 -3.809 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.496 7.343 -2.663 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.883 7.797 -3.262 1.00 0.00 H new ATOM 0 HG23 ILE A 21 4.042 6.593 -1.962 1.00 0.00 H new ATOM 0 HD11 ILE A 21 7.475 4.143 -3.263 1.00 0.00 H new ATOM 0 HD12 ILE A 21 7.026 5.030 -4.739 1.00 0.00 H new ATOM 0 HD13 ILE A 21 7.191 5.898 -3.194 1.00 0.00 H new ATOM 305 N LEU A 22 1.012 6.417 -4.367 1.00 0.00 N ATOM 306 CA LEU A 22 0.037 7.437 -4.846 1.00 0.00 C ATOM 307 C LEU A 22 0.015 8.620 -3.871 1.00 0.00 C ATOM 308 O LEU A 22 -0.129 8.454 -2.677 1.00 0.00 O ATOM 309 CB LEU A 22 -1.371 6.811 -4.959 1.00 0.00 C ATOM 310 CG LEU A 22 -1.308 5.273 -4.818 1.00 0.00 C ATOM 311 CD1 LEU A 22 -2.691 4.662 -5.060 1.00 0.00 C ATOM 312 CD2 LEU A 22 -0.323 4.684 -5.837 1.00 0.00 C ATOM 0 H LEU A 22 0.621 5.709 -3.745 1.00 0.00 H new ATOM 0 HA LEU A 22 0.339 7.791 -5.831 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.019 7.224 -4.186 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.813 7.074 -5.920 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.974 5.038 -3.807 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.633 3.578 -4.958 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.397 5.058 -4.330 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.029 4.914 -6.065 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.289 3.600 -5.726 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.650 4.935 -6.846 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.670 5.098 -5.664 1.00 0.00 H new ATOM 324 N GLY A 23 0.176 9.816 -4.379 1.00 0.00 N ATOM 325 CA GLY A 23 0.185 11.019 -3.495 1.00 0.00 C ATOM 326 C GLY A 23 -1.214 11.286 -2.935 1.00 0.00 C ATOM 327 O GLY A 23 -2.193 10.715 -3.371 1.00 0.00 O ATOM 0 H GLY A 23 0.302 10.011 -5.372 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.888 10.870 -2.676 1.00 0.00 H new ATOM 0 HA3 GLY A 23 0.530 11.887 -4.057 1.00 0.00 H new ATOM 331 N LEU A 24 -1.305 12.149 -1.956 1.00 0.00 N ATOM 332 CA LEU A 24 -2.622 12.460 -1.344 1.00 0.00 C ATOM 333 C LEU A 24 -3.463 13.276 -2.328 1.00 0.00 C ATOM 334 O LEU A 24 -4.630 13.527 -2.100 1.00 0.00 O ATOM 335 CB LEU A 24 -2.429 13.291 -0.065 1.00 0.00 C ATOM 336 CG LEU A 24 -1.061 13.029 0.597 1.00 0.00 C ATOM 337 CD1 LEU A 24 -0.635 11.565 0.438 1.00 0.00 C ATOM 338 CD2 LEU A 24 0.000 13.962 -0.003 1.00 0.00 C ATOM 0 H LEU A 24 -0.514 12.653 -1.554 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.124 11.523 -1.102 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.518 14.351 -0.305 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.224 13.056 0.642 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.156 13.234 1.663 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.333 11.414 0.916 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.376 10.917 0.907 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.559 11.321 -0.622 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.963 13.770 0.470 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.080 13.780 -1.075 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.288 14.999 0.169 1.00 0.00 H new ATOM 350 N ASP A 25 -2.880 13.702 -3.413 1.00 0.00 N ATOM 351 CA ASP A 25 -3.648 14.513 -4.399 1.00 0.00 C ATOM 352 C ASP A 25 -4.524 13.592 -5.247 1.00 0.00 C ATOM 353 O ASP A 25 -5.555 13.992 -5.751 1.00 0.00 O ATOM 354 CB ASP A 25 -2.674 15.263 -5.312 1.00 0.00 C ATOM 355 CG ASP A 25 -2.089 16.467 -4.568 1.00 0.00 C ATOM 356 OD1 ASP A 25 -2.765 16.985 -3.695 1.00 0.00 O ATOM 357 OD2 ASP A 25 -0.976 16.851 -4.889 1.00 0.00 O ATOM 0 H ASP A 25 -1.906 13.524 -3.660 1.00 0.00 H new ATOM 0 HA ASP A 25 -4.276 15.227 -3.867 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.873 14.596 -5.630 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.189 15.596 -6.213 1.00 0.00 H new ATOM 362 N GLY A 26 -4.124 12.362 -5.412 1.00 0.00 N ATOM 363 CA GLY A 26 -4.935 11.419 -6.231 1.00 0.00 C ATOM 364 C GLY A 26 -4.228 11.164 -7.564 1.00 0.00 C ATOM 365 O GLY A 26 -4.677 10.382 -8.377 1.00 0.00 O ATOM 0 H GLY A 26 -3.270 11.969 -5.015 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.073 10.480 -5.695 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -5.927 11.834 -6.407 1.00 0.00 H new ATOM 369 N ASN A 27 -3.122 11.820 -7.795 1.00 0.00 N ATOM 370 CA ASN A 27 -2.385 11.615 -9.073 1.00 0.00 C ATOM 371 C ASN A 27 -1.316 10.538 -8.869 1.00 0.00 C ATOM 372 O ASN A 27 -1.433 9.696 -8.001 1.00 0.00 O ATOM 373 CB ASN A 27 -1.732 12.933 -9.495 1.00 0.00 C ATOM 374 CG ASN A 27 -2.818 13.978 -9.759 1.00 0.00 C ATOM 375 OD1 ASN A 27 -3.484 13.933 -10.774 1.00 0.00 O ATOM 376 ND2 ASN A 27 -3.028 14.922 -8.882 1.00 0.00 N ATOM 0 H ASN A 27 -2.698 12.489 -7.153 1.00 0.00 H new ATOM 0 HA ASN A 27 -3.073 11.292 -9.854 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -1.057 13.283 -8.714 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -1.131 12.783 -10.392 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -3.751 15.622 -9.049 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -2.469 14.960 -8.030 1.00 0.00 H new ATOM 383 N THR A 28 -0.278 10.545 -9.660 1.00 0.00 N ATOM 384 CA THR A 28 0.780 9.508 -9.498 1.00 0.00 C ATOM 385 C THR A 28 2.084 10.155 -9.024 1.00 0.00 C ATOM 386 O THR A 28 2.558 11.119 -9.594 1.00 0.00 O ATOM 387 CB THR A 28 1.016 8.809 -10.840 1.00 0.00 C ATOM 388 OG1 THR A 28 -0.070 9.087 -11.712 1.00 0.00 O ATOM 389 CG2 THR A 28 1.122 7.299 -10.618 1.00 0.00 C ATOM 0 H THR A 28 -0.117 11.220 -10.408 1.00 0.00 H new ATOM 0 HA THR A 28 0.454 8.780 -8.755 1.00 0.00 H new ATOM 0 HB THR A 28 1.942 9.174 -11.284 1.00 0.00 H new ATOM 0 HG1 THR A 28 0.079 8.642 -12.572 1.00 0.00 H new ATOM 0 HG21 THR A 28 1.290 6.802 -11.573 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.955 7.087 -9.947 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.197 6.931 -10.175 1.00 0.00 H new ATOM 397 N TRP A 29 2.674 9.621 -7.987 1.00 0.00 N ATOM 398 CA TRP A 29 3.953 10.191 -7.477 1.00 0.00 C ATOM 399 C TRP A 29 5.112 9.322 -7.965 1.00 0.00 C ATOM 400 O TRP A 29 6.193 9.804 -8.239 1.00 0.00 O ATOM 401 CB TRP A 29 3.935 10.200 -5.947 1.00 0.00 C ATOM 402 CG TRP A 29 3.434 11.521 -5.459 1.00 0.00 C ATOM 403 CD1 TRP A 29 2.406 12.211 -6.003 1.00 0.00 C ATOM 404 CD2 TRP A 29 3.918 12.320 -4.341 1.00 0.00 C ATOM 405 NE1 TRP A 29 2.227 13.383 -5.289 1.00 0.00 N ATOM 406 CE2 TRP A 29 3.135 13.495 -4.255 1.00 0.00 C ATOM 407 CE3 TRP A 29 4.950 12.140 -3.403 1.00 0.00 C ATOM 408 CZ2 TRP A 29 3.367 14.459 -3.273 1.00 0.00 C ATOM 409 CZ3 TRP A 29 5.187 13.109 -2.413 1.00 0.00 C ATOM 410 CH2 TRP A 29 4.397 14.265 -2.348 1.00 0.00 C ATOM 0 H TRP A 29 2.324 8.814 -7.471 1.00 0.00 H new ATOM 0 HA TRP A 29 4.074 11.211 -7.842 1.00 0.00 H new ATOM 0 HB2 TRP A 29 3.297 9.398 -5.576 1.00 0.00 H new ATOM 0 HB3 TRP A 29 4.937 10.014 -5.560 1.00 0.00 H new ATOM 0 HD1 TRP A 29 1.821 11.899 -6.855 1.00 0.00 H new ATOM 0 HE1 TRP A 29 1.512 14.079 -5.501 1.00 0.00 H new ATOM 0 HE3 TRP A 29 5.564 11.252 -3.444 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 2.756 15.348 -3.228 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 5.983 12.962 -1.698 1.00 0.00 H new ATOM 0 HH2 TRP A 29 4.584 15.005 -1.584 1.00 0.00 H new ATOM 421 N ALA A 30 4.891 8.041 -8.074 1.00 0.00 N ATOM 422 CA ALA A 30 5.971 7.128 -8.543 1.00 0.00 C ATOM 423 C ALA A 30 5.521 5.679 -8.346 1.00 0.00 C ATOM 424 O ALA A 30 5.697 5.104 -7.289 1.00 0.00 O ATOM 425 CB ALA A 30 7.243 7.381 -7.732 1.00 0.00 C ATOM 0 H ALA A 30 4.005 7.585 -7.857 1.00 0.00 H new ATOM 0 HA ALA A 30 6.174 7.311 -9.598 1.00 0.00 H new ATOM 0 HB1 ALA A 30 8.033 6.713 -8.076 1.00 0.00 H new ATOM 0 HB2 ALA A 30 7.560 8.415 -7.865 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.044 7.195 -6.676 1.00 0.00 H new ATOM 431 N THR A 31 4.934 5.084 -9.349 1.00 0.00 N ATOM 432 CA THR A 31 4.470 3.677 -9.203 1.00 0.00 C ATOM 433 C THR A 31 5.348 2.744 -10.040 1.00 0.00 C ATOM 434 O THR A 31 6.183 3.180 -10.807 1.00 0.00 O ATOM 435 CB THR A 31 3.017 3.568 -9.674 1.00 0.00 C ATOM 436 OG1 THR A 31 2.525 2.267 -9.389 1.00 0.00 O ATOM 437 CG2 THR A 31 2.945 3.824 -11.181 1.00 0.00 C ATOM 0 H THR A 31 4.757 5.510 -10.259 1.00 0.00 H new ATOM 0 HA THR A 31 4.540 3.386 -8.155 1.00 0.00 H new ATOM 0 HB THR A 31 2.410 4.309 -9.153 1.00 0.00 H new ATOM 0 HG1 THR A 31 1.595 2.196 -9.688 1.00 0.00 H new ATOM 0 HG21 THR A 31 1.910 3.746 -11.514 1.00 0.00 H new ATOM 0 HG22 THR A 31 3.322 4.823 -11.399 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.552 3.085 -11.705 1.00 0.00 H new ATOM 445 N SER A 32 5.164 1.459 -9.890 1.00 0.00 N ATOM 446 CA SER A 32 5.984 0.486 -10.667 1.00 0.00 C ATOM 447 C SER A 32 5.230 -0.839 -10.776 1.00 0.00 C ATOM 448 O SER A 32 5.409 -1.733 -9.974 1.00 0.00 O ATOM 449 CB SER A 32 7.311 0.255 -9.948 1.00 0.00 C ATOM 450 OG SER A 32 7.920 1.509 -9.681 1.00 0.00 O ATOM 0 H SER A 32 4.479 1.041 -9.261 1.00 0.00 H new ATOM 0 HA SER A 32 6.173 0.882 -11.665 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.145 -0.288 -9.018 1.00 0.00 H new ATOM 0 HB3 SER A 32 7.969 -0.359 -10.562 1.00 0.00 H new ATOM 0 HG SER A 32 7.616 2.167 -10.340 1.00 0.00 H new ATOM 456 N ALA A 33 4.388 -0.973 -11.762 1.00 0.00 N ATOM 457 CA ALA A 33 3.622 -2.240 -11.920 1.00 0.00 C ATOM 458 C ALA A 33 2.919 -2.240 -13.279 1.00 0.00 C ATOM 459 O ALA A 33 3.089 -3.138 -14.079 1.00 0.00 O ATOM 460 CB ALA A 33 2.582 -2.349 -10.803 1.00 0.00 C ATOM 0 H ALA A 33 4.197 -0.260 -12.466 1.00 0.00 H new ATOM 0 HA ALA A 33 4.303 -3.089 -11.863 1.00 0.00 H new ATOM 0 HB1 ALA A 33 2.021 -3.276 -10.918 1.00 0.00 H new ATOM 0 HB2 ALA A 33 3.085 -2.347 -9.836 1.00 0.00 H new ATOM 0 HB3 ALA A 33 1.898 -1.502 -10.858 1.00 0.00 H new ATOM 466 N GLY A 34 2.130 -1.235 -13.547 1.00 0.00 N ATOM 467 CA GLY A 34 1.417 -1.176 -14.854 1.00 0.00 C ATOM 468 C GLY A 34 -0.080 -0.980 -14.609 1.00 0.00 C ATOM 469 O GLY A 34 -0.727 -0.186 -15.264 1.00 0.00 O ATOM 0 H GLY A 34 1.949 -0.453 -12.918 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.808 -0.357 -15.457 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.587 -2.095 -15.415 1.00 0.00 H new ATOM 473 N PHE A 35 -0.635 -1.698 -13.671 1.00 0.00 N ATOM 474 CA PHE A 35 -2.089 -1.553 -13.386 1.00 0.00 C ATOM 475 C PHE A 35 -2.442 -0.071 -13.264 1.00 0.00 C ATOM 476 O PHE A 35 -1.582 0.769 -13.081 1.00 0.00 O ATOM 477 CB PHE A 35 -2.426 -2.270 -12.075 1.00 0.00 C ATOM 478 CG PHE A 35 -1.634 -1.659 -10.941 1.00 0.00 C ATOM 479 CD1 PHE A 35 -1.956 -0.378 -10.473 1.00 0.00 C ATOM 480 CD2 PHE A 35 -0.581 -2.373 -10.355 1.00 0.00 C ATOM 481 CE1 PHE A 35 -1.227 0.185 -9.418 1.00 0.00 C ATOM 482 CE2 PHE A 35 0.147 -1.808 -9.301 1.00 0.00 C ATOM 483 CZ PHE A 35 -0.176 -0.529 -8.832 1.00 0.00 C ATOM 0 H PHE A 35 -0.144 -2.378 -13.091 1.00 0.00 H new ATOM 0 HA PHE A 35 -2.664 -1.995 -14.200 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -3.494 -2.190 -11.870 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -2.196 -3.332 -12.161 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -2.766 0.175 -10.926 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -0.331 -3.360 -10.716 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.476 1.172 -9.056 1.00 0.00 H new ATOM 0 HE2 PHE A 35 0.958 -2.359 -8.849 1.00 0.00 H new ATOM 0 HZ PHE A 35 0.386 -0.094 -8.019 1.00 0.00 H new ATOM 493 N ALA A 36 -3.700 0.260 -13.364 1.00 0.00 N ATOM 494 CA ALA A 36 -4.103 1.689 -13.254 1.00 0.00 C ATOM 495 C ALA A 36 -5.096 1.852 -12.101 1.00 0.00 C ATOM 496 O ALA A 36 -6.143 1.237 -12.078 1.00 0.00 O ATOM 497 CB ALA A 36 -4.760 2.134 -14.562 1.00 0.00 C ATOM 0 H ALA A 36 -4.465 -0.397 -13.517 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.222 2.302 -13.063 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.056 3.180 -14.483 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.052 2.018 -15.383 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.641 1.521 -14.753 1.00 0.00 H new ATOM 503 N VAL A 37 -4.774 2.678 -11.143 1.00 0.00 N ATOM 504 CA VAL A 37 -5.696 2.883 -9.990 1.00 0.00 C ATOM 505 C VAL A 37 -6.661 4.029 -10.307 1.00 0.00 C ATOM 506 O VAL A 37 -6.250 5.134 -10.597 1.00 0.00 O ATOM 507 CB VAL A 37 -4.880 3.233 -8.743 1.00 0.00 C ATOM 508 CG1 VAL A 37 -5.825 3.462 -7.562 1.00 0.00 C ATOM 509 CG2 VAL A 37 -3.924 2.083 -8.417 1.00 0.00 C ATOM 0 H VAL A 37 -3.911 3.220 -11.109 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.263 1.970 -9.809 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.305 4.140 -8.929 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -5.244 3.711 -6.674 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.504 4.283 -7.793 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.401 2.556 -7.376 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.343 2.333 -7.529 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.497 1.175 -8.232 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.249 1.921 -9.258 1.00 0.00 H new ATOM 519 N THR A 38 -7.942 3.777 -10.252 1.00 0.00 N ATOM 520 CA THR A 38 -8.923 4.857 -10.551 1.00 0.00 C ATOM 521 C THR A 38 -8.786 5.973 -9.502 1.00 0.00 C ATOM 522 O THR A 38 -8.831 5.706 -8.317 1.00 0.00 O ATOM 523 CB THR A 38 -10.343 4.284 -10.508 1.00 0.00 C ATOM 524 OG1 THR A 38 -11.279 5.351 -10.449 1.00 0.00 O ATOM 525 CG2 THR A 38 -10.502 3.395 -9.275 1.00 0.00 C ATOM 0 H THR A 38 -8.349 2.873 -10.014 1.00 0.00 H new ATOM 0 HA THR A 38 -8.728 5.264 -11.543 1.00 0.00 H new ATOM 0 HB THR A 38 -10.522 3.690 -11.404 1.00 0.00 H new ATOM 0 HG1 THR A 38 -12.189 4.987 -10.423 1.00 0.00 H new ATOM 0 HG21 THR A 38 -11.513 2.989 -9.247 1.00 0.00 H new ATOM 0 HG22 THR A 38 -9.783 2.577 -9.321 1.00 0.00 H new ATOM 0 HG23 THR A 38 -10.323 3.985 -8.376 1.00 0.00 H new ATOM 533 N PRO A 39 -8.617 7.189 -9.965 1.00 0.00 N ATOM 534 CA PRO A 39 -8.467 8.353 -9.071 1.00 0.00 C ATOM 535 C PRO A 39 -9.728 8.546 -8.225 1.00 0.00 C ATOM 536 O PRO A 39 -10.745 7.926 -8.464 1.00 0.00 O ATOM 537 CB PRO A 39 -8.264 9.548 -10.011 1.00 0.00 C ATOM 538 CG PRO A 39 -8.346 9.023 -11.467 1.00 0.00 C ATOM 539 CD PRO A 39 -8.565 7.503 -11.404 1.00 0.00 C ATOM 0 HA PRO A 39 -7.638 8.231 -8.374 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -9.026 10.307 -9.835 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -7.298 10.018 -9.828 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -9.164 9.505 -12.002 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -7.430 9.255 -12.009 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -9.489 7.215 -11.905 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -7.755 6.966 -11.897 1.00 0.00 H new ATOM 547 N ALA A 40 -9.661 9.405 -7.239 1.00 0.00 N ATOM 548 CA ALA A 40 -10.847 9.660 -6.365 1.00 0.00 C ATOM 549 C ALA A 40 -10.939 8.594 -5.267 1.00 0.00 C ATOM 550 O ALA A 40 -11.518 8.820 -4.224 1.00 0.00 O ATOM 551 CB ALA A 40 -12.126 9.635 -7.208 1.00 0.00 C ATOM 0 H ALA A 40 -8.829 9.945 -7.000 1.00 0.00 H new ATOM 0 HA ALA A 40 -10.734 10.639 -5.900 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -12.988 9.821 -6.567 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -12.071 10.407 -7.976 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -12.230 8.659 -7.682 1.00 0.00 H new ATOM 557 N GLN A 41 -10.380 7.435 -5.488 1.00 0.00 N ATOM 558 CA GLN A 41 -10.447 6.369 -4.450 1.00 0.00 C ATOM 559 C GLN A 41 -9.365 6.612 -3.396 1.00 0.00 C ATOM 560 O GLN A 41 -9.348 5.982 -2.357 1.00 0.00 O ATOM 561 CB GLN A 41 -10.222 5.006 -5.108 1.00 0.00 C ATOM 562 CG GLN A 41 -11.493 4.165 -4.983 1.00 0.00 C ATOM 563 CD GLN A 41 -12.663 4.904 -5.634 1.00 0.00 C ATOM 564 OE1 GLN A 41 -12.468 5.724 -6.510 1.00 0.00 O ATOM 565 NE2 GLN A 41 -13.880 4.649 -5.239 1.00 0.00 N ATOM 0 H GLN A 41 -9.881 7.181 -6.341 1.00 0.00 H new ATOM 0 HA GLN A 41 -11.427 6.387 -3.973 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.961 5.136 -6.158 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.386 4.494 -4.632 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -11.349 3.197 -5.463 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -11.711 3.971 -3.933 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -14.044 3.961 -4.504 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -14.667 5.138 -5.665 1.00 0.00 H new ATOM 574 N GLY A 42 -8.462 7.517 -3.653 1.00 0.00 N ATOM 575 CA GLY A 42 -7.384 7.795 -2.663 1.00 0.00 C ATOM 576 C GLY A 42 -8.009 8.181 -1.321 1.00 0.00 C ATOM 577 O GLY A 42 -7.487 7.869 -0.269 1.00 0.00 O ATOM 0 H GLY A 42 -8.424 8.076 -4.505 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.752 6.916 -2.542 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.744 8.601 -3.023 1.00 0.00 H new ATOM 581 N GLN A 43 -9.123 8.860 -1.348 1.00 0.00 N ATOM 582 CA GLN A 43 -9.780 9.270 -0.075 1.00 0.00 C ATOM 583 C GLN A 43 -10.359 8.039 0.625 1.00 0.00 C ATOM 584 O GLN A 43 -10.300 7.915 1.833 1.00 0.00 O ATOM 585 CB GLN A 43 -10.903 10.261 -0.379 1.00 0.00 C ATOM 586 CG GLN A 43 -10.311 11.657 -0.578 1.00 0.00 C ATOM 587 CD GLN A 43 -10.654 12.535 0.626 1.00 0.00 C ATOM 588 OE1 GLN A 43 -10.999 12.035 1.679 1.00 0.00 O ATOM 589 NE2 GLN A 43 -10.574 13.832 0.515 1.00 0.00 N ATOM 0 H GLN A 43 -9.607 9.149 -2.198 1.00 0.00 H new ATOM 0 HA GLN A 43 -9.045 9.742 0.577 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -11.443 9.952 -1.274 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -11.623 10.273 0.439 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -9.229 11.591 -0.697 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -10.705 12.104 -1.491 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -10.284 14.251 -0.369 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -10.801 14.427 1.312 1.00 0.00 H new ATOM 598 N THR A 44 -10.923 7.130 -0.121 1.00 0.00 N ATOM 599 CA THR A 44 -11.508 5.910 0.503 1.00 0.00 C ATOM 600 C THR A 44 -10.475 5.263 1.429 1.00 0.00 C ATOM 601 O THR A 44 -10.812 4.702 2.453 1.00 0.00 O ATOM 602 CB THR A 44 -11.904 4.917 -0.594 1.00 0.00 C ATOM 603 OG1 THR A 44 -13.019 5.427 -1.311 1.00 0.00 O ATOM 604 CG2 THR A 44 -12.271 3.576 0.039 1.00 0.00 C ATOM 0 H THR A 44 -11.004 7.179 -1.137 1.00 0.00 H new ATOM 0 HA THR A 44 -12.390 6.185 1.081 1.00 0.00 H new ATOM 0 HB THR A 44 -11.067 4.776 -1.277 1.00 0.00 H new ATOM 0 HG1 THR A 44 -13.273 4.794 -2.015 1.00 0.00 H new ATOM 0 HG21 THR A 44 -12.553 2.870 -0.742 1.00 0.00 H new ATOM 0 HG22 THR A 44 -11.414 3.186 0.589 1.00 0.00 H new ATOM 0 HG23 THR A 44 -13.109 3.714 0.723 1.00 0.00 H new ATOM 612 N LEU A 45 -9.221 5.338 1.078 1.00 0.00 N ATOM 613 CA LEU A 45 -8.169 4.729 1.941 1.00 0.00 C ATOM 614 C LEU A 45 -8.082 5.500 3.260 1.00 0.00 C ATOM 615 O LEU A 45 -8.074 4.922 4.329 1.00 0.00 O ATOM 616 CB LEU A 45 -6.819 4.797 1.221 1.00 0.00 C ATOM 617 CG LEU A 45 -5.805 3.912 1.948 1.00 0.00 C ATOM 618 CD1 LEU A 45 -6.200 2.443 1.792 1.00 0.00 C ATOM 619 CD2 LEU A 45 -4.416 4.132 1.346 1.00 0.00 C ATOM 0 H LEU A 45 -8.879 5.794 0.232 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.422 3.688 2.144 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.929 4.468 0.188 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.463 5.827 1.191 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.791 4.172 3.006 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.476 1.815 2.311 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.190 2.285 2.220 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.216 2.181 0.734 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.692 3.502 1.863 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.433 3.872 0.288 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.132 5.178 1.458 1.00 0.00 H new ATOM 631 N ALA A 46 -8.017 6.802 3.191 1.00 0.00 N ATOM 632 CA ALA A 46 -7.930 7.610 4.441 1.00 0.00 C ATOM 633 C ALA A 46 -9.249 7.508 5.212 1.00 0.00 C ATOM 634 O ALA A 46 -9.363 7.976 6.327 1.00 0.00 O ATOM 635 CB ALA A 46 -7.660 9.073 4.083 1.00 0.00 C ATOM 0 H ALA A 46 -8.020 7.340 2.325 1.00 0.00 H new ATOM 0 HA ALA A 46 -7.119 7.231 5.062 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -7.596 9.665 4.996 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.720 9.146 3.536 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.472 9.451 3.461 1.00 0.00 H new ATOM 641 N SER A 47 -10.248 6.902 4.630 1.00 0.00 N ATOM 642 CA SER A 47 -11.555 6.778 5.335 1.00 0.00 C ATOM 643 C SER A 47 -11.597 5.463 6.119 1.00 0.00 C ATOM 644 O SER A 47 -12.255 5.357 7.135 1.00 0.00 O ATOM 645 CB SER A 47 -12.689 6.796 4.310 1.00 0.00 C ATOM 646 OG SER A 47 -13.305 8.077 4.313 1.00 0.00 O ATOM 0 H SER A 47 -10.216 6.488 3.698 1.00 0.00 H new ATOM 0 HA SER A 47 -11.673 7.613 6.026 1.00 0.00 H new ATOM 0 HB2 SER A 47 -12.301 6.569 3.317 1.00 0.00 H new ATOM 0 HB3 SER A 47 -13.423 6.026 4.549 1.00 0.00 H new ATOM 0 HG SER A 47 -14.031 8.092 3.655 1.00 0.00 H new ATOM 652 N ALA A 48 -10.905 4.458 5.655 1.00 0.00 N ATOM 653 CA ALA A 48 -10.913 3.153 6.374 1.00 0.00 C ATOM 654 C ALA A 48 -10.050 3.250 7.636 1.00 0.00 C ATOM 655 O ALA A 48 -10.240 2.516 8.586 1.00 0.00 O ATOM 656 CB ALA A 48 -10.353 2.064 5.457 1.00 0.00 C ATOM 0 H ALA A 48 -10.335 4.485 4.810 1.00 0.00 H new ATOM 0 HA ALA A 48 -11.936 2.904 6.657 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -10.358 1.109 5.982 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -10.970 1.990 4.562 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -9.331 2.317 5.174 1.00 0.00 H new ATOM 662 N PHE A 49 -9.102 4.146 7.654 1.00 0.00 N ATOM 663 CA PHE A 49 -8.230 4.283 8.856 1.00 0.00 C ATOM 664 C PHE A 49 -9.095 4.558 10.088 1.00 0.00 C ATOM 665 O PHE A 49 -8.749 4.198 11.197 1.00 0.00 O ATOM 666 CB PHE A 49 -7.254 5.442 8.649 1.00 0.00 C ATOM 667 CG PHE A 49 -6.109 4.993 7.772 1.00 0.00 C ATOM 668 CD1 PHE A 49 -5.497 3.753 7.993 1.00 0.00 C ATOM 669 CD2 PHE A 49 -5.659 5.818 6.734 1.00 0.00 C ATOM 670 CE1 PHE A 49 -4.436 3.340 7.179 1.00 0.00 C ATOM 671 CE2 PHE A 49 -4.598 5.405 5.920 1.00 0.00 C ATOM 672 CZ PHE A 49 -3.987 4.165 6.143 1.00 0.00 C ATOM 0 H PHE A 49 -8.893 4.789 6.890 1.00 0.00 H new ATOM 0 HA PHE A 49 -7.671 3.359 9.005 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -7.768 6.285 8.188 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -6.875 5.787 9.611 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -5.844 3.115 8.792 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -6.131 6.774 6.561 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -3.964 2.384 7.351 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -4.251 6.042 5.120 1.00 0.00 H new ATOM 0 HZ PHE A 49 -3.169 3.846 5.515 1.00 0.00 H new ATOM 682 N ASN A 50 -10.221 5.195 9.906 1.00 0.00 N ATOM 683 CA ASN A 50 -11.106 5.493 11.067 1.00 0.00 C ATOM 684 C ASN A 50 -12.405 4.695 10.936 1.00 0.00 C ATOM 685 O ASN A 50 -13.144 4.533 11.887 1.00 0.00 O ATOM 686 CB ASN A 50 -11.423 6.989 11.098 1.00 0.00 C ATOM 687 CG ASN A 50 -11.508 7.463 12.550 1.00 0.00 C ATOM 688 OD1 ASN A 50 -12.570 7.810 13.026 1.00 0.00 O ATOM 689 ND2 ASN A 50 -10.426 7.492 13.278 1.00 0.00 N ATOM 0 H ASN A 50 -10.565 5.521 9.003 1.00 0.00 H new ATOM 0 HA ASN A 50 -10.600 5.212 11.991 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -10.651 7.546 10.567 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -12.365 7.183 10.585 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -10.472 7.806 14.247 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -9.534 7.200 12.878 1.00 0.00 H new ATOM 696 N ASN A 51 -12.688 4.193 9.765 1.00 0.00 N ATOM 697 CA ASN A 51 -13.937 3.401 9.574 1.00 0.00 C ATOM 698 C ASN A 51 -13.570 1.971 9.175 1.00 0.00 C ATOM 699 O ASN A 51 -13.053 1.730 8.103 1.00 0.00 O ATOM 700 CB ASN A 51 -14.784 4.037 8.470 1.00 0.00 C ATOM 701 CG ASN A 51 -16.266 3.942 8.839 1.00 0.00 C ATOM 702 OD1 ASN A 51 -16.702 2.957 9.402 1.00 0.00 O ATOM 703 ND2 ASN A 51 -17.066 4.932 8.545 1.00 0.00 N ATOM 0 H ASN A 51 -12.109 4.297 8.932 1.00 0.00 H new ATOM 0 HA ASN A 51 -14.507 3.388 10.503 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -14.499 5.080 8.335 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -14.602 3.531 7.522 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -18.055 4.878 8.788 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -16.701 5.759 8.073 1.00 0.00 H new ATOM 710 N ALA A 52 -13.829 1.019 10.030 1.00 0.00 N ATOM 711 CA ALA A 52 -13.488 -0.392 9.695 1.00 0.00 C ATOM 712 C ALA A 52 -14.746 -1.127 9.226 1.00 0.00 C ATOM 713 O ALA A 52 -14.681 -2.245 8.753 1.00 0.00 O ATOM 714 CB ALA A 52 -12.923 -1.086 10.935 1.00 0.00 C ATOM 0 H ALA A 52 -14.261 1.157 10.944 1.00 0.00 H new ATOM 0 HA ALA A 52 -12.744 -0.406 8.899 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -12.673 -2.119 10.692 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -12.026 -0.564 11.267 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -13.667 -1.071 11.731 1.00 0.00 H new ATOM 720 N ASP A 53 -15.888 -0.512 9.355 1.00 0.00 N ATOM 721 CA ASP A 53 -17.147 -1.177 8.918 1.00 0.00 C ATOM 722 C ASP A 53 -17.125 -1.390 7.399 1.00 0.00 C ATOM 723 O ASP A 53 -17.340 -2.490 6.930 1.00 0.00 O ATOM 724 CB ASP A 53 -18.346 -0.306 9.301 1.00 0.00 C ATOM 725 CG ASP A 53 -19.164 -1.014 10.382 1.00 0.00 C ATOM 726 OD1 ASP A 53 -19.235 -2.232 10.338 1.00 0.00 O ATOM 727 OD2 ASP A 53 -19.704 -0.329 11.234 1.00 0.00 O ATOM 0 H ASP A 53 -16.004 0.423 9.745 1.00 0.00 H new ATOM 0 HA ASP A 53 -17.231 -2.145 9.411 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -18.004 0.663 9.664 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -18.967 -0.117 8.425 1.00 0.00 H new ATOM 732 N PRO A 54 -16.869 -0.328 6.672 1.00 0.00 N ATOM 733 CA PRO A 54 -16.817 -0.378 5.197 1.00 0.00 C ATOM 734 C PRO A 54 -15.666 -1.270 4.712 1.00 0.00 C ATOM 735 O PRO A 54 -15.516 -1.510 3.530 1.00 0.00 O ATOM 736 CB PRO A 54 -16.587 1.075 4.762 1.00 0.00 C ATOM 737 CG PRO A 54 -16.480 1.940 6.043 1.00 0.00 C ATOM 738 CD PRO A 54 -16.616 1.003 7.254 1.00 0.00 C ATOM 0 HA PRO A 54 -17.729 -0.800 4.776 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -15.676 1.157 4.168 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -17.409 1.421 4.135 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -15.525 2.465 6.071 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -17.262 2.700 6.058 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -15.710 1.004 7.859 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -17.434 1.313 7.904 1.00 0.00 H new ATOM 746 N ILE A 55 -14.854 -1.768 5.607 1.00 0.00 N ATOM 747 CA ILE A 55 -13.723 -2.643 5.175 1.00 0.00 C ATOM 748 C ILE A 55 -13.744 -3.946 5.977 1.00 0.00 C ATOM 749 O ILE A 55 -12.905 -4.807 5.799 1.00 0.00 O ATOM 750 CB ILE A 55 -12.381 -1.930 5.397 1.00 0.00 C ATOM 751 CG1 ILE A 55 -12.359 -1.260 6.773 1.00 0.00 C ATOM 752 CG2 ILE A 55 -12.179 -0.869 4.316 1.00 0.00 C ATOM 753 CD1 ILE A 55 -11.702 -2.196 7.789 1.00 0.00 C ATOM 0 H ILE A 55 -14.923 -1.609 6.612 1.00 0.00 H new ATOM 0 HA ILE A 55 -13.837 -2.863 4.114 1.00 0.00 H new ATOM 0 HB ILE A 55 -11.579 -2.666 5.345 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -11.810 -0.320 6.722 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -13.374 -1.020 7.088 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -11.226 -0.364 4.475 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -12.178 -1.344 3.335 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -12.988 -0.141 4.365 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -11.687 -1.717 8.768 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -12.269 -3.125 7.848 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -10.681 -2.414 7.476 1.00 0.00 H new ATOM 765 N ARG A 56 -14.695 -4.103 6.856 1.00 0.00 N ATOM 766 CA ARG A 56 -14.761 -5.355 7.659 1.00 0.00 C ATOM 767 C ARG A 56 -15.778 -6.310 7.031 1.00 0.00 C ATOM 768 O ARG A 56 -15.612 -7.513 7.054 1.00 0.00 O ATOM 769 CB ARG A 56 -15.194 -5.024 9.088 1.00 0.00 C ATOM 770 CG ARG A 56 -15.333 -6.321 9.890 1.00 0.00 C ATOM 771 CD ARG A 56 -16.414 -6.148 10.957 1.00 0.00 C ATOM 772 NE ARG A 56 -16.911 -7.486 11.383 1.00 0.00 N ATOM 773 CZ ARG A 56 -17.612 -7.606 12.478 1.00 0.00 C ATOM 774 NH1 ARG A 56 -17.884 -6.553 13.202 1.00 0.00 N ATOM 775 NH2 ARG A 56 -18.041 -8.780 12.851 1.00 0.00 N ATOM 0 H ARG A 56 -15.427 -3.420 7.052 1.00 0.00 H new ATOM 0 HA ARG A 56 -13.778 -5.826 7.676 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -14.461 -4.369 9.559 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -16.142 -4.487 9.077 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -15.591 -7.146 9.226 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -14.382 -6.575 10.358 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -16.011 -5.608 11.814 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -17.237 -5.551 10.563 1.00 0.00 H new ATOM 0 HE ARG A 56 -16.703 -8.310 10.818 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -17.549 -5.634 12.912 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -18.432 -6.650 14.057 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -17.829 -9.603 12.287 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -18.589 -8.875 13.706 1.00 0.00 H new ATOM 789 N ALA A 57 -16.833 -5.780 6.475 1.00 0.00 N ATOM 790 CA ALA A 57 -17.864 -6.654 5.850 1.00 0.00 C ATOM 791 C ALA A 57 -17.280 -7.335 4.610 1.00 0.00 C ATOM 792 O ALA A 57 -17.749 -8.371 4.183 1.00 0.00 O ATOM 793 CB ALA A 57 -19.071 -5.804 5.449 1.00 0.00 C ATOM 0 H ALA A 57 -17.025 -4.779 6.427 1.00 0.00 H new ATOM 0 HA ALA A 57 -18.176 -7.417 6.564 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -19.828 -6.440 4.991 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -19.488 -5.324 6.334 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -18.758 -5.041 4.736 1.00 0.00 H new ATOM 799 N SER A 58 -16.260 -6.765 4.027 1.00 0.00 N ATOM 800 CA SER A 58 -15.653 -7.387 2.815 1.00 0.00 C ATOM 801 C SER A 58 -14.346 -6.670 2.467 1.00 0.00 C ATOM 802 O SER A 58 -13.380 -7.284 2.057 1.00 0.00 O ATOM 803 CB SER A 58 -16.625 -7.269 1.641 1.00 0.00 C ATOM 804 OG SER A 58 -15.946 -7.594 0.435 1.00 0.00 O ATOM 0 H SER A 58 -15.822 -5.898 4.337 1.00 0.00 H new ATOM 0 HA SER A 58 -15.447 -8.439 3.014 1.00 0.00 H new ATOM 0 HB2 SER A 58 -17.472 -7.939 1.787 1.00 0.00 H new ATOM 0 HB3 SER A 58 -17.025 -6.257 1.585 1.00 0.00 H new ATOM 0 HG SER A 58 -16.567 -7.521 -0.320 1.00 0.00 H new ATOM 810 N GLY A 59 -14.309 -5.375 2.621 1.00 0.00 N ATOM 811 CA GLY A 59 -13.066 -4.617 2.293 1.00 0.00 C ATOM 812 C GLY A 59 -13.429 -3.401 1.441 1.00 0.00 C ATOM 813 O GLY A 59 -14.227 -2.573 1.835 1.00 0.00 O ATOM 0 H GLY A 59 -15.086 -4.808 2.960 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -12.568 -4.299 3.209 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -12.367 -5.257 1.755 1.00 0.00 H new ATOM 817 N PHE A 60 -12.854 -3.282 0.276 1.00 0.00 N ATOM 818 CA PHE A 60 -13.181 -2.113 -0.594 1.00 0.00 C ATOM 819 C PHE A 60 -12.798 -2.425 -2.043 1.00 0.00 C ATOM 820 O PHE A 60 -12.162 -3.420 -2.327 1.00 0.00 O ATOM 821 CB PHE A 60 -12.408 -0.883 -0.112 1.00 0.00 C ATOM 822 CG PHE A 60 -10.927 -1.173 -0.133 1.00 0.00 C ATOM 823 CD1 PHE A 60 -10.215 -1.094 -1.335 1.00 0.00 C ATOM 824 CD2 PHE A 60 -10.265 -1.517 1.052 1.00 0.00 C ATOM 825 CE1 PHE A 60 -8.841 -1.359 -1.354 1.00 0.00 C ATOM 826 CE2 PHE A 60 -8.890 -1.783 1.033 1.00 0.00 C ATOM 827 CZ PHE A 60 -8.179 -1.704 -0.171 1.00 0.00 C ATOM 0 H PHE A 60 -12.176 -3.938 -0.111 1.00 0.00 H new ATOM 0 HA PHE A 60 -14.251 -1.912 -0.540 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -12.630 -0.028 -0.751 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -12.722 -0.617 0.897 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -10.726 -0.828 -2.249 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -10.814 -1.577 1.980 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -8.292 -1.297 -2.282 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -8.378 -2.049 1.946 1.00 0.00 H new ATOM 0 HZ PHE A 60 -7.119 -1.910 -0.186 1.00 0.00 H new ATOM 837 N ASP A 61 -13.182 -1.580 -2.965 1.00 0.00 N ATOM 838 CA ASP A 61 -12.842 -1.830 -4.394 1.00 0.00 C ATOM 839 C ASP A 61 -11.791 -0.818 -4.853 1.00 0.00 C ATOM 840 O ASP A 61 -11.837 0.344 -4.502 1.00 0.00 O ATOM 841 CB ASP A 61 -14.101 -1.691 -5.252 1.00 0.00 C ATOM 842 CG ASP A 61 -14.422 -3.037 -5.904 1.00 0.00 C ATOM 843 OD1 ASP A 61 -14.688 -3.978 -5.174 1.00 0.00 O ATOM 844 OD2 ASP A 61 -14.397 -3.104 -7.123 1.00 0.00 O ATOM 0 H ASP A 61 -13.716 -0.729 -2.788 1.00 0.00 H new ATOM 0 HA ASP A 61 -12.443 -2.839 -4.502 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -14.939 -1.363 -4.637 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -13.951 -0.930 -6.018 1.00 0.00 H new ATOM 849 N LEU A 62 -10.840 -1.253 -5.636 1.00 0.00 N ATOM 850 CA LEU A 62 -9.783 -0.318 -6.115 1.00 0.00 C ATOM 851 C LEU A 62 -9.318 -0.740 -7.511 1.00 0.00 C ATOM 852 O LEU A 62 -8.757 -1.803 -7.693 1.00 0.00 O ATOM 853 CB LEU A 62 -8.595 -0.356 -5.151 1.00 0.00 C ATOM 854 CG LEU A 62 -8.539 0.949 -4.356 1.00 0.00 C ATOM 855 CD1 LEU A 62 -7.424 0.864 -3.313 1.00 0.00 C ATOM 856 CD2 LEU A 62 -8.256 2.113 -5.308 1.00 0.00 C ATOM 0 H LEU A 62 -10.750 -2.215 -5.964 1.00 0.00 H new ATOM 0 HA LEU A 62 -10.187 0.693 -6.158 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -8.691 -1.203 -4.472 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.667 -0.496 -5.706 1.00 0.00 H new ATOM 0 HG LEU A 62 -9.494 1.110 -3.855 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.384 1.794 -2.746 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -7.623 0.034 -2.635 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -6.469 0.703 -3.813 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.216 3.044 -4.743 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.301 1.950 -5.808 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.049 2.175 -6.053 1.00 0.00 H new ATOM 868 N ALA A 63 -9.543 0.085 -8.496 1.00 0.00 N ATOM 869 CA ALA A 63 -9.109 -0.264 -9.879 1.00 0.00 C ATOM 870 C ALA A 63 -10.074 -1.291 -10.481 1.00 0.00 C ATOM 871 O ALA A 63 -9.797 -1.891 -11.501 1.00 0.00 O ATOM 872 CB ALA A 63 -7.698 -0.853 -9.835 1.00 0.00 C ATOM 0 H ALA A 63 -10.009 0.987 -8.403 1.00 0.00 H new ATOM 0 HA ALA A 63 -9.111 0.635 -10.496 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.379 -1.109 -10.845 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -7.011 -0.120 -9.412 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -7.697 -1.750 -9.216 1.00 0.00 H new ATOM 878 N GLY A 64 -11.206 -1.495 -9.863 1.00 0.00 N ATOM 879 CA GLY A 64 -12.184 -2.481 -10.406 1.00 0.00 C ATOM 880 C GLY A 64 -11.856 -3.878 -9.876 1.00 0.00 C ATOM 881 O GLY A 64 -12.119 -4.875 -10.519 1.00 0.00 O ATOM 0 H GLY A 64 -11.496 -1.022 -9.007 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -13.197 -2.200 -10.117 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -12.151 -2.478 -11.496 1.00 0.00 H new ATOM 885 N VAL A 65 -11.283 -3.958 -8.707 1.00 0.00 N ATOM 886 CA VAL A 65 -10.938 -5.290 -8.132 1.00 0.00 C ATOM 887 C VAL A 65 -11.454 -5.366 -6.693 1.00 0.00 C ATOM 888 O VAL A 65 -12.198 -4.514 -6.251 1.00 0.00 O ATOM 889 CB VAL A 65 -9.418 -5.475 -8.146 1.00 0.00 C ATOM 890 CG1 VAL A 65 -9.086 -6.966 -8.246 1.00 0.00 C ATOM 891 CG2 VAL A 65 -8.826 -4.742 -9.353 1.00 0.00 C ATOM 0 H VAL A 65 -11.038 -3.158 -8.124 1.00 0.00 H new ATOM 0 HA VAL A 65 -11.400 -6.078 -8.727 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.995 -5.068 -7.228 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -8.004 -7.098 -8.256 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -9.508 -7.491 -7.389 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.510 -7.372 -9.165 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.744 -4.873 -9.364 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -9.250 -5.150 -10.270 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -9.062 -3.680 -9.285 1.00 0.00 H new ATOM 901 N HIS A 66 -11.074 -6.377 -5.959 1.00 0.00 N ATOM 902 CA HIS A 66 -11.561 -6.491 -4.552 1.00 0.00 C ATOM 903 C HIS A 66 -10.403 -6.851 -3.620 1.00 0.00 C ATOM 904 O HIS A 66 -9.705 -7.825 -3.822 1.00 0.00 O ATOM 905 CB HIS A 66 -12.649 -7.573 -4.449 1.00 0.00 C ATOM 906 CG HIS A 66 -12.709 -8.387 -5.716 1.00 0.00 C ATOM 907 ND1 HIS A 66 -13.757 -8.276 -6.617 1.00 0.00 N ATOM 908 CD2 HIS A 66 -11.861 -9.330 -6.243 1.00 0.00 C ATOM 909 CE1 HIS A 66 -13.516 -9.130 -7.627 1.00 0.00 C ATOM 910 NE2 HIS A 66 -12.373 -9.799 -7.450 1.00 0.00 N ATOM 0 H HIS A 66 -10.452 -7.124 -6.269 1.00 0.00 H new ATOM 0 HA HIS A 66 -11.980 -5.529 -4.256 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -12.442 -8.225 -3.601 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -13.617 -7.107 -4.264 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -10.937 -9.658 -5.790 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -14.168 -9.260 -8.479 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -11.964 -10.502 -8.066 1.00 0.00 H new ATOM 918 N TYR A 67 -10.206 -6.074 -2.589 1.00 0.00 N ATOM 919 CA TYR A 67 -9.106 -6.365 -1.623 1.00 0.00 C ATOM 920 C TYR A 67 -9.724 -6.757 -0.280 1.00 0.00 C ATOM 921 O TYR A 67 -10.825 -6.352 0.045 1.00 0.00 O ATOM 922 CB TYR A 67 -8.234 -5.118 -1.443 1.00 0.00 C ATOM 923 CG TYR A 67 -7.519 -4.791 -2.738 1.00 0.00 C ATOM 924 CD1 TYR A 67 -7.363 -5.766 -3.734 1.00 0.00 C ATOM 925 CD2 TYR A 67 -7.008 -3.503 -2.939 1.00 0.00 C ATOM 926 CE1 TYR A 67 -6.699 -5.452 -4.924 1.00 0.00 C ATOM 927 CE2 TYR A 67 -6.343 -3.190 -4.130 1.00 0.00 C ATOM 928 CZ TYR A 67 -6.188 -4.165 -5.123 1.00 0.00 C ATOM 929 OH TYR A 67 -5.534 -3.856 -6.298 1.00 0.00 O ATOM 0 H TYR A 67 -10.762 -5.246 -2.373 1.00 0.00 H new ATOM 0 HA TYR A 67 -8.487 -7.179 -2.000 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -8.852 -4.274 -1.137 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -7.506 -5.285 -0.649 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -7.756 -6.760 -3.582 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -7.127 -2.750 -2.174 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -6.581 -6.204 -5.690 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -5.949 -2.196 -4.283 1.00 0.00 H new ATOM 0 HH TYR A 67 -5.243 -2.920 -6.274 1.00 0.00 H new ATOM 939 N VAL A 68 -9.035 -7.549 0.501 1.00 0.00 N ATOM 940 CA VAL A 68 -9.604 -7.970 1.813 1.00 0.00 C ATOM 941 C VAL A 68 -8.953 -7.166 2.940 1.00 0.00 C ATOM 942 O VAL A 68 -7.922 -6.548 2.761 1.00 0.00 O ATOM 943 CB VAL A 68 -9.345 -9.466 2.035 1.00 0.00 C ATOM 944 CG1 VAL A 68 -10.509 -10.072 2.821 1.00 0.00 C ATOM 945 CG2 VAL A 68 -9.223 -10.178 0.683 1.00 0.00 C ATOM 0 H VAL A 68 -8.109 -7.920 0.288 1.00 0.00 H new ATOM 0 HA VAL A 68 -10.678 -7.786 1.812 1.00 0.00 H new ATOM 0 HB VAL A 68 -8.418 -9.591 2.594 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -10.327 -11.135 2.980 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -10.597 -9.571 3.785 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -11.434 -9.942 2.259 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.039 -11.240 0.846 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -10.148 -10.052 0.121 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -8.395 -9.749 0.119 1.00 0.00 H new ATOM 955 N THR A 69 -9.549 -7.169 4.101 1.00 0.00 N ATOM 956 CA THR A 69 -8.970 -6.405 5.240 1.00 0.00 C ATOM 957 C THR A 69 -8.290 -7.372 6.210 1.00 0.00 C ATOM 958 O THR A 69 -8.824 -8.411 6.541 1.00 0.00 O ATOM 959 CB THR A 69 -10.087 -5.653 5.967 1.00 0.00 C ATOM 960 OG1 THR A 69 -10.592 -4.628 5.123 1.00 0.00 O ATOM 961 CG2 THR A 69 -9.535 -5.035 7.252 1.00 0.00 C ATOM 0 H THR A 69 -10.413 -7.669 4.309 1.00 0.00 H new ATOM 0 HA THR A 69 -8.236 -5.692 4.865 1.00 0.00 H new ATOM 0 HB THR A 69 -10.890 -6.346 6.217 1.00 0.00 H new ATOM 0 HG1 THR A 69 -11.565 -4.718 5.045 1.00 0.00 H new ATOM 0 HG21 THR A 69 -10.331 -4.499 7.769 1.00 0.00 H new ATOM 0 HG22 THR A 69 -9.149 -5.823 7.898 1.00 0.00 H new ATOM 0 HG23 THR A 69 -8.731 -4.341 7.006 1.00 0.00 H new ATOM 969 N LEU A 70 -7.113 -7.041 6.665 1.00 0.00 N ATOM 970 CA LEU A 70 -6.396 -7.943 7.609 1.00 0.00 C ATOM 971 C LEU A 70 -6.268 -7.264 8.975 1.00 0.00 C ATOM 972 O LEU A 70 -6.589 -7.837 9.997 1.00 0.00 O ATOM 973 CB LEU A 70 -5.001 -8.246 7.062 1.00 0.00 C ATOM 974 CG LEU A 70 -4.322 -9.294 7.945 1.00 0.00 C ATOM 975 CD1 LEU A 70 -4.424 -10.667 7.279 1.00 0.00 C ATOM 976 CD2 LEU A 70 -2.850 -8.924 8.132 1.00 0.00 C ATOM 0 H LEU A 70 -6.616 -6.183 6.423 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.957 -8.871 7.717 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.072 -8.610 6.037 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.403 -7.335 7.036 1.00 0.00 H new ATOM 0 HG LEU A 70 -4.815 -9.326 8.917 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -3.940 -11.414 7.909 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.473 -10.930 7.146 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.931 -10.637 6.307 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -2.364 -9.670 8.761 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.357 -8.892 7.161 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.778 -7.946 8.608 1.00 0.00 H new ATOM 988 N ARG A 71 -5.796 -6.048 9.001 1.00 0.00 N ATOM 989 CA ARG A 71 -5.641 -5.338 10.300 1.00 0.00 C ATOM 990 C ARG A 71 -5.973 -3.856 10.120 1.00 0.00 C ATOM 991 O ARG A 71 -5.209 -2.988 10.496 1.00 0.00 O ATOM 992 CB ARG A 71 -4.197 -5.481 10.785 1.00 0.00 C ATOM 993 CG ARG A 71 -4.186 -5.809 12.280 1.00 0.00 C ATOM 994 CD ARG A 71 -3.414 -4.725 13.035 1.00 0.00 C ATOM 995 NE ARG A 71 -3.844 -4.715 14.463 1.00 0.00 N ATOM 996 CZ ARG A 71 -3.134 -4.079 15.357 1.00 0.00 C ATOM 997 NH1 ARG A 71 -2.048 -3.443 15.004 1.00 0.00 N ATOM 998 NH2 ARG A 71 -3.511 -4.080 16.606 1.00 0.00 N ATOM 0 H ARG A 71 -5.511 -5.516 8.179 1.00 0.00 H new ATOM 0 HA ARG A 71 -6.320 -5.772 11.034 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -3.692 -6.269 10.226 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -3.648 -4.557 10.601 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -5.207 -5.872 12.657 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -3.724 -6.782 12.446 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -2.342 -4.912 12.968 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -3.596 -3.751 12.582 1.00 0.00 H new ATOM 0 HE ARG A 71 -4.694 -5.205 14.742 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -1.752 -3.442 14.028 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -1.496 -2.948 15.705 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -4.358 -4.576 16.883 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -2.959 -3.584 17.306 1.00 0.00 H new ATOM 1012 N ALA A 72 -7.108 -3.557 9.550 1.00 0.00 N ATOM 1013 CA ALA A 72 -7.486 -2.129 9.351 1.00 0.00 C ATOM 1014 C ALA A 72 -8.018 -1.561 10.667 1.00 0.00 C ATOM 1015 O ALA A 72 -9.204 -1.587 10.929 1.00 0.00 O ATOM 1016 CB ALA A 72 -8.571 -2.029 8.277 1.00 0.00 C ATOM 0 H ALA A 72 -7.789 -4.238 9.214 1.00 0.00 H new ATOM 0 HA ALA A 72 -6.611 -1.562 9.033 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.846 -0.984 8.133 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -8.194 -2.437 7.339 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -9.448 -2.595 8.592 1.00 0.00 H new ATOM 1022 N ASP A 73 -7.151 -1.053 11.500 1.00 0.00 N ATOM 1023 CA ASP A 73 -7.614 -0.490 12.799 1.00 0.00 C ATOM 1024 C ASP A 73 -6.793 0.753 13.149 1.00 0.00 C ATOM 1025 O ASP A 73 -7.331 1.819 13.371 1.00 0.00 O ATOM 1026 CB ASP A 73 -7.447 -1.540 13.900 1.00 0.00 C ATOM 1027 CG ASP A 73 -8.810 -2.154 14.229 1.00 0.00 C ATOM 1028 OD1 ASP A 73 -9.717 -1.400 14.539 1.00 0.00 O ATOM 1029 OD2 ASP A 73 -8.923 -3.367 14.167 1.00 0.00 O ATOM 0 H ASP A 73 -6.145 -1.004 11.338 1.00 0.00 H new ATOM 0 HA ASP A 73 -8.665 -0.213 12.715 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -6.755 -2.317 13.575 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.017 -1.083 14.791 1.00 0.00 H new ATOM 1034 N ASP A 74 -5.493 0.629 13.205 1.00 0.00 N ATOM 1035 CA ASP A 74 -4.651 1.810 13.548 1.00 0.00 C ATOM 1036 C ASP A 74 -4.435 2.672 12.298 1.00 0.00 C ATOM 1037 O ASP A 74 -5.314 3.399 11.881 1.00 0.00 O ATOM 1038 CB ASP A 74 -3.304 1.333 14.099 1.00 0.00 C ATOM 1039 CG ASP A 74 -3.514 0.687 15.470 1.00 0.00 C ATOM 1040 OD1 ASP A 74 -4.417 1.113 16.170 1.00 0.00 O ATOM 1041 OD2 ASP A 74 -2.768 -0.221 15.794 1.00 0.00 O ATOM 0 H ASP A 74 -4.981 -0.235 13.029 1.00 0.00 H new ATOM 0 HA ASP A 74 -5.155 2.409 14.306 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -2.851 0.617 13.413 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.615 2.173 14.183 1.00 0.00 H new ATOM 1046 N ARG A 75 -3.274 2.608 11.697 1.00 0.00 N ATOM 1047 CA ARG A 75 -3.023 3.437 10.483 1.00 0.00 C ATOM 1048 C ARG A 75 -2.349 2.590 9.402 1.00 0.00 C ATOM 1049 O ARG A 75 -2.041 3.070 8.330 1.00 0.00 O ATOM 1050 CB ARG A 75 -2.106 4.606 10.851 1.00 0.00 C ATOM 1051 CG ARG A 75 -2.927 5.720 11.501 1.00 0.00 C ATOM 1052 CD ARG A 75 -2.233 6.180 12.783 1.00 0.00 C ATOM 1053 NE ARG A 75 -3.243 6.316 13.879 1.00 0.00 N ATOM 1054 CZ ARG A 75 -4.349 6.995 13.703 1.00 0.00 C ATOM 1055 NH1 ARG A 75 -4.519 7.728 12.636 1.00 0.00 N ATOM 1056 NH2 ARG A 75 -5.267 6.983 14.630 1.00 0.00 N ATOM 0 H ARG A 75 -2.494 2.021 11.993 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.973 3.814 10.104 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.327 4.269 11.535 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -1.605 4.983 9.959 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.034 6.558 10.812 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.932 5.362 11.726 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -1.464 5.463 13.070 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -1.732 7.134 12.616 1.00 0.00 H new ATOM 0 HE ARG A 75 -3.067 5.872 14.780 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -3.786 7.776 11.928 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -5.385 8.252 12.510 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -5.121 6.447 15.485 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -6.131 7.510 14.499 1.00 0.00 H new ATOM 1070 N SER A 76 -2.112 1.334 9.671 1.00 0.00 N ATOM 1071 CA SER A 76 -1.452 0.469 8.653 1.00 0.00 C ATOM 1072 C SER A 76 -2.482 -0.485 8.044 1.00 0.00 C ATOM 1073 O SER A 76 -3.362 -0.981 8.721 1.00 0.00 O ATOM 1074 CB SER A 76 -0.337 -0.339 9.317 1.00 0.00 C ATOM 1075 OG SER A 76 0.587 0.551 9.929 1.00 0.00 O ATOM 0 H SER A 76 -2.346 0.871 10.549 1.00 0.00 H new ATOM 0 HA SER A 76 -1.029 1.094 7.866 1.00 0.00 H new ATOM 0 HB2 SER A 76 -0.756 -1.015 10.062 1.00 0.00 H new ATOM 0 HB3 SER A 76 0.171 -0.956 8.576 1.00 0.00 H new ATOM 0 HG SER A 76 1.462 0.116 10.000 1.00 0.00 H new ATOM 1081 N ILE A 77 -2.380 -0.746 6.769 1.00 0.00 N ATOM 1082 CA ILE A 77 -3.353 -1.666 6.114 1.00 0.00 C ATOM 1083 C ILE A 77 -2.615 -2.564 5.120 1.00 0.00 C ATOM 1084 O ILE A 77 -2.498 -2.245 3.953 1.00 0.00 O ATOM 1085 CB ILE A 77 -4.409 -0.847 5.369 1.00 0.00 C ATOM 1086 CG1 ILE A 77 -5.314 -0.141 6.381 1.00 0.00 C ATOM 1087 CG2 ILE A 77 -5.254 -1.774 4.492 1.00 0.00 C ATOM 1088 CD1 ILE A 77 -6.416 0.616 5.638 1.00 0.00 C ATOM 0 H ILE A 77 -1.664 -0.362 6.152 1.00 0.00 H new ATOM 0 HA ILE A 77 -3.837 -2.281 6.873 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.914 -0.106 4.741 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -5.754 -0.870 7.062 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.729 0.550 6.988 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -6.006 -1.189 3.962 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -4.611 -2.278 3.770 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -5.748 -2.517 5.118 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -7.061 1.119 6.358 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -5.966 1.355 4.975 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -7.007 -0.086 5.050 1.00 0.00 H new ATOM 1100 N TYR A 78 -2.116 -3.686 5.565 1.00 0.00 N ATOM 1101 CA TYR A 78 -1.390 -4.593 4.631 1.00 0.00 C ATOM 1102 C TYR A 78 -2.378 -5.583 4.005 1.00 0.00 C ATOM 1103 O TYR A 78 -2.309 -6.773 4.236 1.00 0.00 O ATOM 1104 CB TYR A 78 -0.304 -5.366 5.386 1.00 0.00 C ATOM 1105 CG TYR A 78 0.326 -4.479 6.435 1.00 0.00 C ATOM 1106 CD1 TYR A 78 -0.258 -4.382 7.703 1.00 0.00 C ATOM 1107 CD2 TYR A 78 1.497 -3.761 6.145 1.00 0.00 C ATOM 1108 CE1 TYR A 78 0.324 -3.566 8.681 1.00 0.00 C ATOM 1109 CE2 TYR A 78 2.077 -2.946 7.125 1.00 0.00 C ATOM 1110 CZ TYR A 78 1.490 -2.850 8.392 1.00 0.00 C ATOM 1111 OH TYR A 78 2.062 -2.046 9.358 1.00 0.00 O ATOM 0 H TYR A 78 -2.179 -4.012 6.529 1.00 0.00 H new ATOM 0 HA TYR A 78 -0.924 -3.995 3.848 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -0.735 -6.250 5.856 1.00 0.00 H new ATOM 0 HB3 TYR A 78 0.457 -5.715 4.688 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -1.157 -4.936 7.927 1.00 0.00 H new ATOM 0 HD2 TYR A 78 1.950 -3.837 5.168 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -0.128 -3.490 9.659 1.00 0.00 H new ATOM 0 HE2 TYR A 78 2.977 -2.392 6.903 1.00 0.00 H new ATOM 0 HH TYR A 78 2.866 -1.620 8.995 1.00 0.00 H new ATOM 1121 N GLY A 79 -3.295 -5.099 3.209 1.00 0.00 N ATOM 1122 CA GLY A 79 -4.284 -6.013 2.565 1.00 0.00 C ATOM 1123 C GLY A 79 -3.557 -7.242 2.017 1.00 0.00 C ATOM 1124 O GLY A 79 -2.389 -7.185 1.688 1.00 0.00 O ATOM 0 H GLY A 79 -3.402 -4.111 2.977 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -5.040 -6.317 3.289 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -4.804 -5.495 1.759 1.00 0.00 H new ATOM 1128 N LYS A 80 -4.232 -8.356 1.914 1.00 0.00 N ATOM 1129 CA LYS A 80 -3.561 -9.579 1.387 1.00 0.00 C ATOM 1130 C LYS A 80 -4.590 -10.483 0.705 1.00 0.00 C ATOM 1131 O LYS A 80 -5.238 -11.288 1.344 1.00 0.00 O ATOM 1132 CB LYS A 80 -2.900 -10.336 2.540 1.00 0.00 C ATOM 1133 CG LYS A 80 -3.910 -10.529 3.672 1.00 0.00 C ATOM 1134 CD LYS A 80 -3.635 -11.857 4.379 1.00 0.00 C ATOM 1135 CE LYS A 80 -2.267 -11.795 5.060 1.00 0.00 C ATOM 1136 NZ LYS A 80 -2.128 -12.946 5.996 1.00 0.00 N ATOM 0 H LYS A 80 -5.213 -8.472 2.170 1.00 0.00 H new ATOM 0 HA LYS A 80 -2.803 -9.287 0.660 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -2.538 -11.304 2.193 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -2.034 -9.783 2.902 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.839 -9.705 4.382 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -4.925 -10.520 3.274 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -4.412 -12.057 5.117 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.659 -12.676 3.660 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -1.475 -11.822 4.312 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.161 -10.856 5.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -1.198 -12.906 6.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -2.877 -12.900 6.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -2.212 -13.837 5.466 1.00 0.00 H new ATOM 1150 N LYS A 81 -4.741 -10.366 -0.584 1.00 0.00 N ATOM 1151 CA LYS A 81 -5.725 -11.229 -1.293 1.00 0.00 C ATOM 1152 C LYS A 81 -5.317 -12.696 -1.134 1.00 0.00 C ATOM 1153 O LYS A 81 -4.564 -13.045 -0.248 1.00 0.00 O ATOM 1154 CB LYS A 81 -5.752 -10.860 -2.778 1.00 0.00 C ATOM 1155 CG LYS A 81 -7.132 -10.309 -3.144 1.00 0.00 C ATOM 1156 CD LYS A 81 -7.765 -11.188 -4.227 1.00 0.00 C ATOM 1157 CE LYS A 81 -7.331 -10.691 -5.608 1.00 0.00 C ATOM 1158 NZ LYS A 81 -6.023 -11.305 -5.968 1.00 0.00 N ATOM 0 H LYS A 81 -4.228 -9.713 -1.176 1.00 0.00 H new ATOM 0 HA LYS A 81 -6.717 -11.079 -0.868 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -4.984 -10.117 -2.993 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -5.526 -11.737 -3.385 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -7.771 -10.285 -2.261 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -7.042 -9.283 -3.501 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -7.462 -12.226 -4.091 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -8.851 -11.160 -4.144 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -8.084 -10.950 -6.353 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -7.246 -9.604 -5.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -5.856 -11.194 -6.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -5.261 -10.834 -5.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -6.037 -12.317 -5.728 1.00 0.00 H new ATOM 1172 N GLY A 82 -5.805 -13.558 -1.983 1.00 0.00 N ATOM 1173 CA GLY A 82 -5.435 -14.998 -1.871 1.00 0.00 C ATOM 1174 C GLY A 82 -3.924 -15.117 -1.668 1.00 0.00 C ATOM 1175 O GLY A 82 -3.454 -15.410 -0.586 1.00 0.00 O ATOM 0 H GLY A 82 -6.441 -13.329 -2.747 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.963 -15.457 -1.035 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -5.736 -15.534 -2.771 1.00 0.00 H new ATOM 1179 N SER A 83 -3.158 -14.890 -2.699 1.00 0.00 N ATOM 1180 CA SER A 83 -1.678 -14.988 -2.567 1.00 0.00 C ATOM 1181 C SER A 83 -1.059 -13.598 -2.721 1.00 0.00 C ATOM 1182 O SER A 83 0.026 -13.334 -2.242 1.00 0.00 O ATOM 1183 CB SER A 83 -1.129 -15.914 -3.653 1.00 0.00 C ATOM 1184 OG SER A 83 -2.077 -16.013 -4.707 1.00 0.00 O ATOM 0 H SER A 83 -3.494 -14.640 -3.629 1.00 0.00 H new ATOM 0 HA SER A 83 -1.427 -15.391 -1.586 1.00 0.00 H new ATOM 0 HB2 SER A 83 -0.184 -15.527 -4.033 1.00 0.00 H new ATOM 0 HB3 SER A 83 -0.925 -16.901 -3.237 1.00 0.00 H new ATOM 0 HG SER A 83 -2.229 -16.957 -4.922 1.00 0.00 H new ATOM 1190 N ALA A 84 -1.741 -12.706 -3.387 1.00 0.00 N ATOM 1191 CA ALA A 84 -1.191 -11.332 -3.571 1.00 0.00 C ATOM 1192 C ALA A 84 -1.635 -10.453 -2.401 1.00 0.00 C ATOM 1193 O ALA A 84 -2.236 -10.923 -1.456 1.00 0.00 O ATOM 1194 CB ALA A 84 -1.719 -10.743 -4.881 1.00 0.00 C ATOM 0 H ALA A 84 -2.654 -12.869 -3.811 1.00 0.00 H new ATOM 0 HA ALA A 84 -0.102 -11.374 -3.606 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -1.318 -9.739 -5.016 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.409 -11.373 -5.714 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.807 -10.697 -4.847 1.00 0.00 H new ATOM 1200 N GLY A 85 -1.346 -9.180 -2.452 1.00 0.00 N ATOM 1201 CA GLY A 85 -1.761 -8.289 -1.330 1.00 0.00 C ATOM 1202 C GLY A 85 -1.256 -6.865 -1.575 1.00 0.00 C ATOM 1203 O GLY A 85 -0.253 -6.652 -2.227 1.00 0.00 O ATOM 0 H GLY A 85 -0.846 -8.722 -3.214 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -2.847 -8.287 -1.239 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -1.363 -8.667 -0.388 1.00 0.00 H new ATOM 1207 N VAL A 86 -1.946 -5.890 -1.050 1.00 0.00 N ATOM 1208 CA VAL A 86 -1.512 -4.475 -1.239 1.00 0.00 C ATOM 1209 C VAL A 86 -1.192 -3.872 0.132 1.00 0.00 C ATOM 1210 O VAL A 86 -2.010 -3.884 1.029 1.00 0.00 O ATOM 1211 CB VAL A 86 -2.645 -3.683 -1.900 1.00 0.00 C ATOM 1212 CG1 VAL A 86 -3.815 -3.553 -0.923 1.00 0.00 C ATOM 1213 CG2 VAL A 86 -2.142 -2.288 -2.278 1.00 0.00 C ATOM 0 H VAL A 86 -2.794 -6.012 -0.497 1.00 0.00 H new ATOM 0 HA VAL A 86 -0.628 -4.434 -1.875 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.976 -4.206 -2.797 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -4.621 -2.990 -1.393 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.176 -4.546 -0.653 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -3.483 -3.031 -0.025 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.949 -1.725 -2.748 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.810 -1.765 -1.381 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.309 -2.378 -2.975 1.00 0.00 H new ATOM 1223 N ILE A 87 -0.005 -3.356 0.311 1.00 0.00 N ATOM 1224 CA ILE A 87 0.353 -2.772 1.636 1.00 0.00 C ATOM 1225 C ILE A 87 0.238 -1.248 1.590 1.00 0.00 C ATOM 1226 O ILE A 87 1.184 -0.554 1.283 1.00 0.00 O ATOM 1227 CB ILE A 87 1.787 -3.162 1.998 1.00 0.00 C ATOM 1228 CG1 ILE A 87 1.842 -4.658 2.320 1.00 0.00 C ATOM 1229 CG2 ILE A 87 2.238 -2.361 3.221 1.00 0.00 C ATOM 1230 CD1 ILE A 87 3.294 -5.139 2.267 1.00 0.00 C ATOM 0 H ILE A 87 0.727 -3.314 -0.398 1.00 0.00 H new ATOM 0 HA ILE A 87 -0.334 -3.159 2.389 1.00 0.00 H new ATOM 0 HB ILE A 87 2.447 -2.946 1.158 1.00 0.00 H new ATOM 0 HG12 ILE A 87 1.422 -4.844 3.309 1.00 0.00 H new ATOM 0 HG13 ILE A 87 1.236 -5.217 1.607 1.00 0.00 H new ATOM 0 HG21 ILE A 87 3.260 -2.638 3.481 1.00 0.00 H new ATOM 0 HG22 ILE A 87 2.197 -1.296 2.994 1.00 0.00 H new ATOM 0 HG23 ILE A 87 1.579 -2.578 4.061 1.00 0.00 H new ATOM 0 HD11 ILE A 87 3.333 -6.204 2.496 1.00 0.00 H new ATOM 0 HD12 ILE A 87 3.698 -4.968 1.269 1.00 0.00 H new ATOM 0 HD13 ILE A 87 3.887 -4.589 2.998 1.00 0.00 H new ATOM 1242 N THR A 88 -0.913 -0.720 1.899 1.00 0.00 N ATOM 1243 CA THR A 88 -1.076 0.760 1.874 1.00 0.00 C ATOM 1244 C THR A 88 -1.022 1.308 3.303 1.00 0.00 C ATOM 1245 O THR A 88 -1.627 0.772 4.209 1.00 0.00 O ATOM 1246 CB THR A 88 -2.422 1.117 1.239 1.00 0.00 C ATOM 1247 OG1 THR A 88 -3.461 0.891 2.181 1.00 0.00 O ATOM 1248 CG2 THR A 88 -2.653 0.250 -0.001 1.00 0.00 C ATOM 0 H THR A 88 -1.745 -1.246 2.167 1.00 0.00 H new ATOM 0 HA THR A 88 -0.270 1.202 1.287 1.00 0.00 H new ATOM 0 HB THR A 88 -2.419 2.167 0.946 1.00 0.00 H new ATOM 0 HG1 THR A 88 -4.130 0.290 1.792 1.00 0.00 H new ATOM 0 HG21 THR A 88 -3.612 0.507 -0.451 1.00 0.00 H new ATOM 0 HG22 THR A 88 -1.855 0.427 -0.722 1.00 0.00 H new ATOM 0 HG23 THR A 88 -2.656 -0.802 0.286 1.00 0.00 H new ATOM 1256 N VAL A 89 -0.297 2.376 3.511 1.00 0.00 N ATOM 1257 CA VAL A 89 -0.202 2.960 4.881 1.00 0.00 C ATOM 1258 C VAL A 89 -0.009 4.475 4.778 1.00 0.00 C ATOM 1259 O VAL A 89 0.473 4.983 3.786 1.00 0.00 O ATOM 1260 CB VAL A 89 0.992 2.349 5.616 1.00 0.00 C ATOM 1261 CG1 VAL A 89 1.043 2.889 7.046 1.00 0.00 C ATOM 1262 CG2 VAL A 89 0.850 0.826 5.654 1.00 0.00 C ATOM 0 H VAL A 89 0.233 2.868 2.792 1.00 0.00 H new ATOM 0 HA VAL A 89 -1.119 2.744 5.430 1.00 0.00 H new ATOM 0 HB VAL A 89 1.910 2.614 5.092 1.00 0.00 H new ATOM 0 HG11 VAL A 89 1.894 2.453 7.569 1.00 0.00 H new ATOM 0 HG12 VAL A 89 1.148 3.974 7.022 1.00 0.00 H new ATOM 0 HG13 VAL A 89 0.123 2.626 7.567 1.00 0.00 H new ATOM 0 HG21 VAL A 89 1.702 0.394 6.178 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -0.070 0.559 6.175 1.00 0.00 H new ATOM 0 HG23 VAL A 89 0.816 0.438 4.636 1.00 0.00 H new ATOM 1272 N LYS A 90 -0.377 5.203 5.798 1.00 0.00 N ATOM 1273 CA LYS A 90 -0.206 6.682 5.755 1.00 0.00 C ATOM 1274 C LYS A 90 1.026 7.077 6.571 1.00 0.00 C ATOM 1275 O LYS A 90 1.207 6.639 7.691 1.00 0.00 O ATOM 1276 CB LYS A 90 -1.446 7.363 6.340 1.00 0.00 C ATOM 1277 CG LYS A 90 -2.080 8.266 5.280 1.00 0.00 C ATOM 1278 CD LYS A 90 -1.456 9.662 5.361 1.00 0.00 C ATOM 1279 CE LYS A 90 -2.555 10.724 5.285 1.00 0.00 C ATOM 1280 NZ LYS A 90 -1.965 12.015 4.832 1.00 0.00 N ATOM 0 H LYS A 90 -0.788 4.837 6.657 1.00 0.00 H new ATOM 0 HA LYS A 90 -0.075 7.000 4.721 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -2.164 6.613 6.671 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -1.172 7.950 7.217 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -1.925 7.844 4.287 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -3.157 8.328 5.436 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -0.898 9.768 6.292 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -0.746 9.801 4.546 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -3.336 10.406 4.594 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -3.024 10.848 6.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -2.711 12.738 4.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -1.235 12.319 5.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -1.537 11.890 3.892 1.00 0.00 H new ATOM 1294 N THR A 91 1.876 7.900 6.020 1.00 0.00 N ATOM 1295 CA THR A 91 3.097 8.321 6.763 1.00 0.00 C ATOM 1296 C THR A 91 2.943 9.781 7.202 1.00 0.00 C ATOM 1297 O THR A 91 2.320 10.073 8.204 1.00 0.00 O ATOM 1298 CB THR A 91 4.318 8.177 5.851 1.00 0.00 C ATOM 1299 OG1 THR A 91 3.997 8.664 4.557 1.00 0.00 O ATOM 1300 CG2 THR A 91 4.717 6.702 5.757 1.00 0.00 C ATOM 0 H THR A 91 1.777 8.299 5.087 1.00 0.00 H new ATOM 0 HA THR A 91 3.230 7.693 7.644 1.00 0.00 H new ATOM 0 HB THR A 91 5.149 8.750 6.262 1.00 0.00 H new ATOM 0 HG1 THR A 91 4.822 8.880 4.075 1.00 0.00 H new ATOM 0 HG21 THR A 91 5.586 6.601 5.107 1.00 0.00 H new ATOM 0 HG22 THR A 91 4.961 6.327 6.751 1.00 0.00 H new ATOM 0 HG23 THR A 91 3.888 6.126 5.346 1.00 0.00 H new ATOM 1308 N SER A 92 3.500 10.704 6.462 1.00 0.00 N ATOM 1309 CA SER A 92 3.374 12.140 6.842 1.00 0.00 C ATOM 1310 C SER A 92 2.897 12.948 5.633 1.00 0.00 C ATOM 1311 O SER A 92 2.196 13.930 5.768 1.00 0.00 O ATOM 1312 CB SER A 92 4.732 12.669 7.308 1.00 0.00 C ATOM 1313 OG SER A 92 5.472 13.119 6.181 1.00 0.00 O ATOM 0 H SER A 92 4.036 10.525 5.613 1.00 0.00 H new ATOM 0 HA SER A 92 2.651 12.238 7.652 1.00 0.00 H new ATOM 0 HB2 SER A 92 4.594 13.486 8.016 1.00 0.00 H new ATOM 0 HB3 SER A 92 5.281 11.885 7.829 1.00 0.00 H new ATOM 0 HG SER A 92 6.342 13.460 6.476 1.00 0.00 H new ATOM 1319 N LYS A 93 3.271 12.540 4.449 1.00 0.00 N ATOM 1320 CA LYS A 93 2.838 13.282 3.233 1.00 0.00 C ATOM 1321 C LYS A 93 2.876 12.342 2.025 1.00 0.00 C ATOM 1322 O LYS A 93 3.462 12.650 1.006 1.00 0.00 O ATOM 1323 CB LYS A 93 3.785 14.459 2.990 1.00 0.00 C ATOM 1324 CG LYS A 93 2.999 15.768 3.048 1.00 0.00 C ATOM 1325 CD LYS A 93 3.359 16.633 1.839 1.00 0.00 C ATOM 1326 CE LYS A 93 2.841 18.054 2.057 1.00 0.00 C ATOM 1327 NZ LYS A 93 1.515 18.000 2.735 1.00 0.00 N ATOM 0 H LYS A 93 3.858 11.724 4.273 1.00 0.00 H new ATOM 0 HA LYS A 93 1.824 13.654 3.375 1.00 0.00 H new ATOM 0 HB2 LYS A 93 4.576 14.464 3.740 1.00 0.00 H new ATOM 0 HB3 LYS A 93 4.268 14.356 2.018 1.00 0.00 H new ATOM 0 HG2 LYS A 93 1.929 15.562 3.055 1.00 0.00 H new ATOM 0 HG3 LYS A 93 3.227 16.301 3.971 1.00 0.00 H new ATOM 0 HD2 LYS A 93 4.440 16.646 1.697 1.00 0.00 H new ATOM 0 HD3 LYS A 93 2.923 16.211 0.934 1.00 0.00 H new ATOM 0 HE2 LYS A 93 3.548 18.622 2.662 1.00 0.00 H new ATOM 0 HE3 LYS A 93 2.752 18.571 1.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 1.005 18.891 2.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 0.961 17.208 2.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 1.653 17.862 3.757 1.00 0.00 H new ATOM 1341 N SER A 94 2.258 11.196 2.132 1.00 0.00 N ATOM 1342 CA SER A 94 2.266 10.239 0.989 1.00 0.00 C ATOM 1343 C SER A 94 1.454 8.994 1.358 1.00 0.00 C ATOM 1344 O SER A 94 1.242 8.700 2.517 1.00 0.00 O ATOM 1345 CB SER A 94 3.707 9.833 0.679 1.00 0.00 C ATOM 1346 OG SER A 94 3.730 8.486 0.226 1.00 0.00 O ATOM 0 H SER A 94 1.750 10.882 2.959 1.00 0.00 H new ATOM 0 HA SER A 94 1.823 10.714 0.113 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.127 10.491 -0.082 1.00 0.00 H new ATOM 0 HB3 SER A 94 4.326 9.940 1.570 1.00 0.00 H new ATOM 0 HG SER A 94 4.653 8.224 0.025 1.00 0.00 H new ATOM 1352 N ILE A 95 1.001 8.255 0.380 1.00 0.00 N ATOM 1353 CA ILE A 95 0.210 7.028 0.681 1.00 0.00 C ATOM 1354 C ILE A 95 0.922 5.809 0.089 1.00 0.00 C ATOM 1355 O ILE A 95 1.014 5.653 -1.113 1.00 0.00 O ATOM 1356 CB ILE A 95 -1.189 7.155 0.076 1.00 0.00 C ATOM 1357 CG1 ILE A 95 -2.008 8.162 0.889 1.00 0.00 C ATOM 1358 CG2 ILE A 95 -1.885 5.793 0.111 1.00 0.00 C ATOM 1359 CD1 ILE A 95 -3.436 8.225 0.343 1.00 0.00 C ATOM 0 H ILE A 95 1.144 8.448 -0.611 1.00 0.00 H new ATOM 0 HA ILE A 95 0.121 6.907 1.761 1.00 0.00 H new ATOM 0 HB ILE A 95 -1.108 7.498 -0.955 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -2.022 7.870 1.939 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -1.545 9.147 0.838 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -2.882 5.883 -0.320 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -1.304 5.073 -0.465 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -1.965 5.452 1.143 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -4.016 8.942 0.924 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -3.413 8.537 -0.701 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -3.898 7.240 0.417 1.00 0.00 H new ATOM 1371 N LEU A 96 1.429 4.946 0.926 1.00 0.00 N ATOM 1372 CA LEU A 96 2.142 3.738 0.418 1.00 0.00 C ATOM 1373 C LEU A 96 1.147 2.809 -0.276 1.00 0.00 C ATOM 1374 O LEU A 96 -0.027 2.800 0.038 1.00 0.00 O ATOM 1375 CB LEU A 96 2.788 2.988 1.586 1.00 0.00 C ATOM 1376 CG LEU A 96 3.394 3.981 2.581 1.00 0.00 C ATOM 1377 CD1 LEU A 96 4.213 3.216 3.621 1.00 0.00 C ATOM 1378 CD2 LEU A 96 4.305 4.960 1.836 1.00 0.00 C ATOM 0 H LEU A 96 1.381 5.025 1.942 1.00 0.00 H new ATOM 0 HA LEU A 96 2.911 4.051 -0.288 1.00 0.00 H new ATOM 0 HB2 LEU A 96 2.043 2.369 2.087 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.562 2.317 1.213 1.00 0.00 H new ATOM 0 HG LEU A 96 2.596 4.534 3.077 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.647 3.919 4.332 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.566 2.517 4.151 1.00 0.00 H new ATOM 0 HD13 LEU A 96 5.011 2.666 3.123 1.00 0.00 H new ATOM 0 HD21 LEU A 96 4.736 5.667 2.545 1.00 0.00 H new ATOM 0 HD22 LEU A 96 5.105 4.409 1.341 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.724 5.503 1.091 1.00 0.00 H new ATOM 1390 N VAL A 97 1.607 2.020 -1.212 1.00 0.00 N ATOM 1391 CA VAL A 97 0.687 1.085 -1.918 1.00 0.00 C ATOM 1392 C VAL A 97 1.457 -0.154 -2.371 1.00 0.00 C ATOM 1393 O VAL A 97 1.433 -0.515 -3.528 1.00 0.00 O ATOM 1394 CB VAL A 97 0.081 1.771 -3.141 1.00 0.00 C ATOM 1395 CG1 VAL A 97 -0.883 0.810 -3.839 1.00 0.00 C ATOM 1396 CG2 VAL A 97 -0.678 3.021 -2.693 1.00 0.00 C ATOM 0 H VAL A 97 2.580 1.984 -1.517 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.109 0.793 -1.233 1.00 0.00 H new ATOM 0 HB VAL A 97 0.874 2.054 -3.833 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.316 1.299 -4.712 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.343 -0.083 -4.154 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -1.679 0.528 -3.149 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -1.112 3.514 -3.563 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -1.472 2.737 -2.003 1.00 0.00 H new ATOM 0 HG23 VAL A 97 0.009 3.704 -2.194 1.00 0.00 H new ATOM 1406 N GLY A 98 2.137 -0.814 -1.473 1.00 0.00 N ATOM 1407 CA GLY A 98 2.893 -2.033 -1.869 1.00 0.00 C ATOM 1408 C GLY A 98 2.002 -2.895 -2.762 1.00 0.00 C ATOM 1409 O GLY A 98 0.829 -3.068 -2.502 1.00 0.00 O ATOM 0 H GLY A 98 2.201 -0.562 -0.487 1.00 0.00 H new ATOM 0 HA2 GLY A 98 3.804 -1.757 -2.399 1.00 0.00 H new ATOM 0 HA3 GLY A 98 3.196 -2.593 -0.985 1.00 0.00 H new ATOM 1413 N VAL A 99 2.543 -3.436 -3.815 1.00 0.00 N ATOM 1414 CA VAL A 99 1.717 -4.281 -4.720 1.00 0.00 C ATOM 1415 C VAL A 99 2.551 -5.494 -5.156 1.00 0.00 C ATOM 1416 O VAL A 99 3.587 -5.360 -5.781 1.00 0.00 O ATOM 1417 CB VAL A 99 1.288 -3.455 -5.947 1.00 0.00 C ATOM 1418 CG1 VAL A 99 0.058 -4.093 -6.591 1.00 0.00 C ATOM 1419 CG2 VAL A 99 0.922 -2.025 -5.522 1.00 0.00 C ATOM 0 H VAL A 99 3.520 -3.330 -4.089 1.00 0.00 H new ATOM 0 HA VAL A 99 0.821 -4.624 -4.203 1.00 0.00 H new ATOM 0 HB VAL A 99 2.117 -3.430 -6.654 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -0.244 -3.507 -7.459 1.00 0.00 H new ATOM 0 HG12 VAL A 99 0.297 -5.109 -6.905 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -0.758 -4.119 -5.869 1.00 0.00 H new ATOM 0 HG21 VAL A 99 0.620 -1.451 -6.398 1.00 0.00 H new ATOM 0 HG22 VAL A 99 0.099 -2.057 -4.808 1.00 0.00 H new ATOM 0 HG23 VAL A 99 1.787 -1.551 -5.058 1.00 0.00 H new ATOM 1429 N TYR A 100 2.119 -6.681 -4.813 1.00 0.00 N ATOM 1430 CA TYR A 100 2.894 -7.899 -5.193 1.00 0.00 C ATOM 1431 C TYR A 100 1.935 -8.998 -5.660 1.00 0.00 C ATOM 1432 O TYR A 100 0.744 -8.937 -5.422 1.00 0.00 O ATOM 1433 CB TYR A 100 3.678 -8.397 -3.975 1.00 0.00 C ATOM 1434 CG TYR A 100 2.816 -8.273 -2.742 1.00 0.00 C ATOM 1435 CD1 TYR A 100 1.929 -9.300 -2.401 1.00 0.00 C ATOM 1436 CD2 TYR A 100 2.898 -7.125 -1.944 1.00 0.00 C ATOM 1437 CE1 TYR A 100 1.125 -9.181 -1.262 1.00 0.00 C ATOM 1438 CE2 TYR A 100 2.095 -7.007 -0.804 1.00 0.00 C ATOM 1439 CZ TYR A 100 1.207 -8.034 -0.465 1.00 0.00 C ATOM 1440 OH TYR A 100 0.413 -7.917 0.658 1.00 0.00 O ATOM 0 H TYR A 100 1.264 -6.858 -4.287 1.00 0.00 H new ATOM 0 HA TYR A 100 3.582 -7.653 -6.002 1.00 0.00 H new ATOM 0 HB2 TYR A 100 3.977 -9.435 -4.120 1.00 0.00 H new ATOM 0 HB3 TYR A 100 4.592 -7.815 -3.854 1.00 0.00 H new ATOM 0 HD1 TYR A 100 1.865 -10.185 -3.017 1.00 0.00 H new ATOM 0 HD2 TYR A 100 3.581 -6.331 -2.208 1.00 0.00 H new ATOM 0 HE1 TYR A 100 0.441 -9.974 -0.998 1.00 0.00 H new ATOM 0 HE2 TYR A 100 2.161 -6.124 -0.186 1.00 0.00 H new ATOM 0 HH TYR A 100 0.874 -7.372 1.329 1.00 0.00 H new ATOM 1450 N ASN A 101 2.446 -10.003 -6.323 1.00 0.00 N ATOM 1451 CA ASN A 101 1.564 -11.105 -6.806 1.00 0.00 C ATOM 1452 C ASN A 101 1.855 -12.389 -6.019 1.00 0.00 C ATOM 1453 O ASN A 101 2.155 -12.352 -4.843 1.00 0.00 O ATOM 1454 CB ASN A 101 1.819 -11.344 -8.297 1.00 0.00 C ATOM 1455 CG ASN A 101 3.219 -11.927 -8.493 1.00 0.00 C ATOM 1456 OD1 ASN A 101 4.204 -11.288 -8.185 1.00 0.00 O ATOM 1457 ND2 ASN A 101 3.349 -13.125 -8.997 1.00 0.00 N ATOM 0 H ASN A 101 3.435 -10.107 -6.550 1.00 0.00 H new ATOM 0 HA ASN A 101 0.521 -10.825 -6.655 1.00 0.00 H new ATOM 0 HB2 ASN A 101 1.071 -12.027 -8.699 1.00 0.00 H new ATOM 0 HB3 ASN A 101 1.724 -10.408 -8.847 1.00 0.00 H new ATOM 0 HD21 ASN A 101 4.278 -13.524 -9.132 1.00 0.00 H new ATOM 0 HD22 ASN A 101 2.521 -13.662 -9.256 1.00 0.00 H new ATOM 1464 N GLU A 102 1.757 -13.527 -6.657 1.00 0.00 N ATOM 1465 CA GLU A 102 2.015 -14.812 -5.945 1.00 0.00 C ATOM 1466 C GLU A 102 3.520 -15.012 -5.749 1.00 0.00 C ATOM 1467 O GLU A 102 3.950 -15.928 -5.077 1.00 0.00 O ATOM 1468 CB GLU A 102 1.459 -15.971 -6.777 1.00 0.00 C ATOM 1469 CG GLU A 102 -0.046 -15.778 -6.982 1.00 0.00 C ATOM 1470 CD GLU A 102 -0.465 -16.409 -8.310 1.00 0.00 C ATOM 1471 OE1 GLU A 102 -0.062 -15.895 -9.342 1.00 0.00 O ATOM 1472 OE2 GLU A 102 -1.181 -17.395 -8.276 1.00 0.00 O ATOM 0 H GLU A 102 1.509 -13.621 -7.642 1.00 0.00 H new ATOM 0 HA GLU A 102 1.527 -14.784 -4.971 1.00 0.00 H new ATOM 0 HB2 GLU A 102 1.965 -16.016 -7.741 1.00 0.00 H new ATOM 0 HB3 GLU A 102 1.649 -16.918 -6.273 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -0.597 -16.235 -6.160 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -0.291 -14.716 -6.979 1.00 0.00 H new ATOM 1479 N LYS A 103 4.326 -14.168 -6.331 1.00 0.00 N ATOM 1480 CA LYS A 103 5.800 -14.320 -6.176 1.00 0.00 C ATOM 1481 C LYS A 103 6.216 -13.915 -4.759 1.00 0.00 C ATOM 1482 O LYS A 103 7.299 -14.227 -4.308 1.00 0.00 O ATOM 1483 CB LYS A 103 6.516 -13.424 -7.191 1.00 0.00 C ATOM 1484 CG LYS A 103 7.305 -14.294 -8.172 1.00 0.00 C ATOM 1485 CD LYS A 103 6.335 -15.020 -9.107 1.00 0.00 C ATOM 1486 CE LYS A 103 6.765 -16.481 -9.255 1.00 0.00 C ATOM 1487 NZ LYS A 103 5.910 -17.341 -8.387 1.00 0.00 N ATOM 0 H LYS A 103 4.028 -13.380 -6.907 1.00 0.00 H new ATOM 0 HA LYS A 103 6.074 -15.361 -6.349 1.00 0.00 H new ATOM 0 HB2 LYS A 103 5.790 -12.815 -7.731 1.00 0.00 H new ATOM 0 HB3 LYS A 103 7.188 -12.737 -6.676 1.00 0.00 H new ATOM 0 HG2 LYS A 103 7.991 -13.676 -8.751 1.00 0.00 H new ATOM 0 HG3 LYS A 103 7.911 -15.018 -7.626 1.00 0.00 H new ATOM 0 HD2 LYS A 103 5.322 -14.967 -8.709 1.00 0.00 H new ATOM 0 HD3 LYS A 103 6.321 -14.534 -10.082 1.00 0.00 H new ATOM 0 HE2 LYS A 103 6.676 -16.794 -10.295 1.00 0.00 H new ATOM 0 HE3 LYS A 103 7.813 -16.593 -8.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 6.008 -18.334 -8.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 6.209 -17.240 -7.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 4.916 -17.049 -8.480 1.00 0.00 H new ATOM 1501 N ILE A 104 5.365 -13.221 -4.054 1.00 0.00 N ATOM 1502 CA ILE A 104 5.715 -12.796 -2.668 1.00 0.00 C ATOM 1503 C ILE A 104 4.504 -13.012 -1.752 1.00 0.00 C ATOM 1504 O ILE A 104 3.375 -12.783 -2.136 1.00 0.00 O ATOM 1505 CB ILE A 104 6.117 -11.314 -2.682 1.00 0.00 C ATOM 1506 CG1 ILE A 104 7.577 -11.192 -3.124 1.00 0.00 C ATOM 1507 CG2 ILE A 104 5.965 -10.707 -1.285 1.00 0.00 C ATOM 1508 CD1 ILE A 104 7.637 -10.620 -4.542 1.00 0.00 C ATOM 0 H ILE A 104 4.442 -12.930 -4.377 1.00 0.00 H new ATOM 0 HA ILE A 104 6.551 -13.387 -2.294 1.00 0.00 H new ATOM 0 HB ILE A 104 5.468 -10.779 -3.375 1.00 0.00 H new ATOM 0 HG12 ILE A 104 8.123 -10.546 -2.437 1.00 0.00 H new ATOM 0 HG13 ILE A 104 8.060 -12.169 -3.094 1.00 0.00 H new ATOM 0 HG21 ILE A 104 6.254 -9.656 -1.311 1.00 0.00 H new ATOM 0 HG22 ILE A 104 4.927 -10.790 -0.963 1.00 0.00 H new ATOM 0 HG23 ILE A 104 6.606 -11.242 -0.584 1.00 0.00 H new ATOM 0 HD11 ILE A 104 8.677 -10.534 -4.856 1.00 0.00 H new ATOM 0 HD12 ILE A 104 7.106 -11.283 -5.225 1.00 0.00 H new ATOM 0 HD13 ILE A 104 7.170 -9.635 -4.557 1.00 0.00 H new ATOM 1520 N GLN A 105 4.734 -13.455 -0.545 1.00 0.00 N ATOM 1521 CA GLN A 105 3.600 -13.691 0.394 1.00 0.00 C ATOM 1522 C GLN A 105 3.513 -12.533 1.395 1.00 0.00 C ATOM 1523 O GLN A 105 4.511 -11.920 1.719 1.00 0.00 O ATOM 1524 CB GLN A 105 3.828 -15.002 1.149 1.00 0.00 C ATOM 1525 CG GLN A 105 3.944 -16.155 0.150 1.00 0.00 C ATOM 1526 CD GLN A 105 4.492 -17.395 0.858 1.00 0.00 C ATOM 1527 OE1 GLN A 105 5.145 -17.289 1.877 1.00 0.00 O ATOM 1528 NE2 GLN A 105 4.253 -18.576 0.356 1.00 0.00 N ATOM 0 H GLN A 105 5.659 -13.664 -0.169 1.00 0.00 H new ATOM 0 HA GLN A 105 2.669 -13.753 -0.170 1.00 0.00 H new ATOM 0 HB2 GLN A 105 4.735 -14.935 1.749 1.00 0.00 H new ATOM 0 HB3 GLN A 105 3.003 -15.185 1.837 1.00 0.00 H new ATOM 0 HG2 GLN A 105 2.968 -16.373 -0.284 1.00 0.00 H new ATOM 0 HG3 GLN A 105 4.602 -15.873 -0.672 1.00 0.00 H new ATOM 0 HE21 GLN A 105 3.705 -18.665 -0.500 1.00 0.00 H new ATOM 0 HE22 GLN A 105 4.614 -19.410 0.819 1.00 0.00 H new ATOM 1537 N PRO A 106 2.313 -12.267 1.851 1.00 0.00 N ATOM 1538 CA PRO A 106 2.061 -11.184 2.818 1.00 0.00 C ATOM 1539 C PRO A 106 2.804 -11.455 4.131 1.00 0.00 C ATOM 1540 O PRO A 106 3.209 -12.566 4.408 1.00 0.00 O ATOM 1541 CB PRO A 106 0.542 -11.206 3.047 1.00 0.00 C ATOM 1542 CG PRO A 106 -0.043 -12.372 2.208 1.00 0.00 C ATOM 1543 CD PRO A 106 1.116 -13.024 1.440 1.00 0.00 C ATOM 0 HA PRO A 106 2.409 -10.217 2.453 1.00 0.00 H new ATOM 0 HB2 PRO A 106 0.316 -11.345 4.104 1.00 0.00 H new ATOM 0 HB3 PRO A 106 0.096 -10.258 2.747 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -0.531 -13.101 2.855 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -0.800 -12.003 1.516 1.00 0.00 H new ATOM 0 HD2 PRO A 106 1.211 -14.081 1.690 1.00 0.00 H new ATOM 0 HD3 PRO A 106 0.960 -12.964 0.363 1.00 0.00 H new ATOM 1551 N GLY A 107 2.983 -10.446 4.939 1.00 0.00 N ATOM 1552 CA GLY A 107 3.696 -10.643 6.233 1.00 0.00 C ATOM 1553 C GLY A 107 5.200 -10.450 6.025 1.00 0.00 C ATOM 1554 O GLY A 107 5.828 -9.641 6.678 1.00 0.00 O ATOM 0 H GLY A 107 2.666 -9.493 4.759 1.00 0.00 H new ATOM 0 HA2 GLY A 107 3.327 -9.934 6.975 1.00 0.00 H new ATOM 0 HA3 GLY A 107 3.498 -11.642 6.621 1.00 0.00 H new ATOM 1558 N THR A 108 5.780 -11.189 5.120 1.00 0.00 N ATOM 1559 CA THR A 108 7.243 -11.052 4.869 1.00 0.00 C ATOM 1560 C THR A 108 7.533 -9.686 4.242 1.00 0.00 C ATOM 1561 O THR A 108 8.581 -9.107 4.451 1.00 0.00 O ATOM 1562 CB THR A 108 7.701 -12.160 3.920 1.00 0.00 C ATOM 1563 OG1 THR A 108 7.224 -13.413 4.392 1.00 0.00 O ATOM 1564 CG2 THR A 108 9.229 -12.185 3.861 1.00 0.00 C ATOM 0 H THR A 108 5.304 -11.882 4.543 1.00 0.00 H new ATOM 0 HA THR A 108 7.782 -11.135 5.813 1.00 0.00 H new ATOM 0 HB THR A 108 7.304 -11.971 2.923 1.00 0.00 H new ATOM 0 HG1 THR A 108 7.515 -14.124 3.784 1.00 0.00 H new ATOM 0 HG21 THR A 108 9.554 -12.975 3.184 1.00 0.00 H new ATOM 0 HG22 THR A 108 9.595 -11.224 3.499 1.00 0.00 H new ATOM 0 HG23 THR A 108 9.629 -12.374 4.857 1.00 0.00 H new ATOM 1572 N ALA A 109 6.615 -9.166 3.474 1.00 0.00 N ATOM 1573 CA ALA A 109 6.844 -7.838 2.836 1.00 0.00 C ATOM 1574 C ALA A 109 6.467 -6.727 3.819 1.00 0.00 C ATOM 1575 O ALA A 109 7.105 -5.694 3.878 1.00 0.00 O ATOM 1576 CB ALA A 109 5.979 -7.719 1.581 1.00 0.00 C ATOM 0 H ALA A 109 5.718 -9.602 3.261 1.00 0.00 H new ATOM 0 HA ALA A 109 7.895 -7.743 2.565 1.00 0.00 H new ATOM 0 HB1 ALA A 109 6.146 -6.748 1.115 1.00 0.00 H new ATOM 0 HB2 ALA A 109 6.245 -8.509 0.879 1.00 0.00 H new ATOM 0 HB3 ALA A 109 4.928 -7.814 1.853 1.00 0.00 H new ATOM 1582 N ALA A 110 5.436 -6.932 4.592 1.00 0.00 N ATOM 1583 CA ALA A 110 5.018 -5.890 5.572 1.00 0.00 C ATOM 1584 C ALA A 110 6.135 -5.673 6.594 1.00 0.00 C ATOM 1585 O ALA A 110 6.299 -4.595 7.129 1.00 0.00 O ATOM 1586 CB ALA A 110 3.748 -6.348 6.293 1.00 0.00 C ATOM 0 H ALA A 110 4.865 -7.777 4.587 1.00 0.00 H new ATOM 0 HA ALA A 110 4.821 -4.956 5.047 1.00 0.00 H new ATOM 0 HB1 ALA A 110 3.442 -5.586 7.010 1.00 0.00 H new ATOM 0 HB2 ALA A 110 2.952 -6.502 5.565 1.00 0.00 H new ATOM 0 HB3 ALA A 110 3.945 -7.283 6.818 1.00 0.00 H new ATOM 1592 N ASN A 111 6.907 -6.688 6.871 1.00 0.00 N ATOM 1593 CA ASN A 111 8.011 -6.533 7.859 1.00 0.00 C ATOM 1594 C ASN A 111 8.997 -5.474 7.362 1.00 0.00 C ATOM 1595 O ASN A 111 9.549 -4.714 8.134 1.00 0.00 O ATOM 1596 CB ASN A 111 8.738 -7.868 8.028 1.00 0.00 C ATOM 1597 CG ASN A 111 9.148 -8.041 9.491 1.00 0.00 C ATOM 1598 OD1 ASN A 111 8.380 -8.530 10.295 1.00 0.00 O ATOM 1599 ND2 ASN A 111 10.335 -7.656 9.873 1.00 0.00 N ATOM 0 H ASN A 111 6.821 -7.616 6.457 1.00 0.00 H new ATOM 0 HA ASN A 111 7.597 -6.222 8.818 1.00 0.00 H new ATOM 0 HB2 ASN A 111 8.090 -8.689 7.721 1.00 0.00 H new ATOM 0 HB3 ASN A 111 9.618 -7.899 7.386 1.00 0.00 H new ATOM 0 HD21 ASN A 111 10.618 -7.766 10.847 1.00 0.00 H new ATOM 0 HD22 ASN A 111 10.980 -7.245 9.198 1.00 0.00 H new ATOM 1606 N VAL A 112 9.226 -5.416 6.078 1.00 0.00 N ATOM 1607 CA VAL A 112 10.179 -4.405 5.542 1.00 0.00 C ATOM 1608 C VAL A 112 9.495 -3.034 5.495 1.00 0.00 C ATOM 1609 O VAL A 112 10.124 -2.010 5.652 1.00 0.00 O ATOM 1610 CB VAL A 112 10.636 -4.827 4.136 1.00 0.00 C ATOM 1611 CG1 VAL A 112 9.658 -4.308 3.074 1.00 0.00 C ATOM 1612 CG2 VAL A 112 12.030 -4.257 3.866 1.00 0.00 C ATOM 0 H VAL A 112 8.796 -6.023 5.380 1.00 0.00 H new ATOM 0 HA VAL A 112 11.053 -4.340 6.190 1.00 0.00 H new ATOM 0 HB VAL A 112 10.662 -5.916 4.085 1.00 0.00 H new ATOM 0 HG11 VAL A 112 9.997 -4.616 2.085 1.00 0.00 H new ATOM 0 HG12 VAL A 112 8.666 -4.719 3.261 1.00 0.00 H new ATOM 0 HG13 VAL A 112 9.615 -3.220 3.120 1.00 0.00 H new ATOM 0 HG21 VAL A 112 12.358 -4.554 2.870 1.00 0.00 H new ATOM 0 HG22 VAL A 112 11.997 -3.169 3.928 1.00 0.00 H new ATOM 0 HG23 VAL A 112 12.730 -4.641 4.608 1.00 0.00 H new ATOM 1622 N VAL A 113 8.209 -3.008 5.279 1.00 0.00 N ATOM 1623 CA VAL A 113 7.491 -1.704 5.223 1.00 0.00 C ATOM 1624 C VAL A 113 7.582 -1.013 6.586 1.00 0.00 C ATOM 1625 O VAL A 113 7.462 0.192 6.691 1.00 0.00 O ATOM 1626 CB VAL A 113 6.023 -1.951 4.870 1.00 0.00 C ATOM 1627 CG1 VAL A 113 5.227 -0.657 5.045 1.00 0.00 C ATOM 1628 CG2 VAL A 113 5.920 -2.418 3.417 1.00 0.00 C ATOM 0 H VAL A 113 7.625 -3.832 5.139 1.00 0.00 H new ATOM 0 HA VAL A 113 7.946 -1.067 4.464 1.00 0.00 H new ATOM 0 HB VAL A 113 5.617 -2.718 5.530 1.00 0.00 H new ATOM 0 HG11 VAL A 113 4.182 -0.836 4.793 1.00 0.00 H new ATOM 0 HG12 VAL A 113 5.299 -0.323 6.080 1.00 0.00 H new ATOM 0 HG13 VAL A 113 5.633 0.111 4.387 1.00 0.00 H new ATOM 0 HG21 VAL A 113 4.874 -2.594 3.165 1.00 0.00 H new ATOM 0 HG22 VAL A 113 6.328 -1.651 2.759 1.00 0.00 H new ATOM 0 HG23 VAL A 113 6.484 -3.342 3.291 1.00 0.00 H new ATOM 1638 N GLU A 114 7.790 -1.768 7.630 1.00 0.00 N ATOM 1639 CA GLU A 114 7.884 -1.158 8.988 1.00 0.00 C ATOM 1640 C GLU A 114 9.260 -0.519 9.172 1.00 0.00 C ATOM 1641 O GLU A 114 9.383 0.579 9.679 1.00 0.00 O ATOM 1642 CB GLU A 114 7.682 -2.245 10.047 1.00 0.00 C ATOM 1643 CG GLU A 114 6.246 -2.764 9.972 1.00 0.00 C ATOM 1644 CD GLU A 114 5.523 -2.452 11.282 1.00 0.00 C ATOM 1645 OE1 GLU A 114 5.998 -1.591 12.006 1.00 0.00 O ATOM 1646 OE2 GLU A 114 4.510 -3.078 11.541 1.00 0.00 O ATOM 0 H GLU A 114 7.899 -2.782 7.602 1.00 0.00 H new ATOM 0 HA GLU A 114 7.114 -0.394 9.095 1.00 0.00 H new ATOM 0 HB2 GLU A 114 8.385 -3.062 9.884 1.00 0.00 H new ATOM 0 HB3 GLU A 114 7.884 -1.843 11.040 1.00 0.00 H new ATOM 0 HG2 GLU A 114 5.723 -2.299 9.136 1.00 0.00 H new ATOM 0 HG3 GLU A 114 6.245 -3.839 9.791 1.00 0.00 H new ATOM 1653 N LYS A 115 10.298 -1.194 8.763 1.00 0.00 N ATOM 1654 CA LYS A 115 11.664 -0.619 8.914 1.00 0.00 C ATOM 1655 C LYS A 115 11.923 0.370 7.776 1.00 0.00 C ATOM 1656 O LYS A 115 12.100 1.552 7.994 1.00 0.00 O ATOM 1657 CB LYS A 115 12.700 -1.743 8.860 1.00 0.00 C ATOM 1658 CG LYS A 115 13.092 -2.145 10.283 1.00 0.00 C ATOM 1659 CD LYS A 115 14.556 -1.777 10.529 1.00 0.00 C ATOM 1660 CE LYS A 115 15.449 -2.957 10.145 1.00 0.00 C ATOM 1661 NZ LYS A 115 16.877 -2.540 10.206 1.00 0.00 N ATOM 0 H LYS A 115 10.260 -2.117 8.331 1.00 0.00 H new ATOM 0 HA LYS A 115 11.740 -0.103 9.871 1.00 0.00 H new ATOM 0 HB2 LYS A 115 12.292 -2.602 8.327 1.00 0.00 H new ATOM 0 HB3 LYS A 115 13.581 -1.414 8.308 1.00 0.00 H new ATOM 0 HG2 LYS A 115 12.452 -1.639 11.005 1.00 0.00 H new ATOM 0 HG3 LYS A 115 12.946 -3.216 10.424 1.00 0.00 H new ATOM 0 HD2 LYS A 115 14.825 -0.898 9.943 1.00 0.00 H new ATOM 0 HD3 LYS A 115 14.706 -1.519 11.577 1.00 0.00 H new ATOM 0 HE2 LYS A 115 15.274 -3.794 10.821 1.00 0.00 H new ATOM 0 HE3 LYS A 115 15.202 -3.302 9.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 17.447 -3.163 9.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 16.966 -1.558 9.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 17.217 -2.607 11.187 1.00 0.00 H new ATOM 1675 N LEU A 116 11.944 -0.110 6.563 1.00 0.00 N ATOM 1676 CA LEU A 116 12.188 0.791 5.401 1.00 0.00 C ATOM 1677 C LEU A 116 11.401 2.093 5.584 1.00 0.00 C ATOM 1678 O LEU A 116 11.789 3.136 5.095 1.00 0.00 O ATOM 1679 CB LEU A 116 11.727 0.094 4.118 1.00 0.00 C ATOM 1680 CG LEU A 116 12.910 -0.054 3.161 1.00 0.00 C ATOM 1681 CD1 LEU A 116 13.694 -1.322 3.507 1.00 0.00 C ATOM 1682 CD2 LEU A 116 12.389 -0.155 1.725 1.00 0.00 C ATOM 0 H LEU A 116 11.802 -1.092 6.326 1.00 0.00 H new ATOM 0 HA LEU A 116 13.252 1.019 5.335 1.00 0.00 H new ATOM 0 HB2 LEU A 116 11.312 -0.886 4.354 1.00 0.00 H new ATOM 0 HB3 LEU A 116 10.933 0.671 3.644 1.00 0.00 H new ATOM 0 HG LEU A 116 13.564 0.813 3.254 1.00 0.00 H new ATOM 0 HD11 LEU A 116 14.537 -1.426 2.824 1.00 0.00 H new ATOM 0 HD12 LEU A 116 14.063 -1.254 4.531 1.00 0.00 H new ATOM 0 HD13 LEU A 116 13.042 -2.190 3.413 1.00 0.00 H new ATOM 0 HD21 LEU A 116 13.230 -0.261 1.039 1.00 0.00 H new ATOM 0 HD22 LEU A 116 11.736 -1.023 1.635 1.00 0.00 H new ATOM 0 HD23 LEU A 116 11.830 0.747 1.477 1.00 0.00 H new ATOM 1694 N ALA A 117 10.297 2.041 6.279 1.00 0.00 N ATOM 1695 CA ALA A 117 9.487 3.275 6.486 1.00 0.00 C ATOM 1696 C ALA A 117 10.187 4.189 7.495 1.00 0.00 C ATOM 1697 O ALA A 117 10.333 5.373 7.276 1.00 0.00 O ATOM 1698 CB ALA A 117 8.106 2.896 7.024 1.00 0.00 C ATOM 0 H ALA A 117 9.921 1.197 6.712 1.00 0.00 H new ATOM 0 HA ALA A 117 9.380 3.797 5.535 1.00 0.00 H new ATOM 0 HB1 ALA A 117 7.514 3.799 7.175 1.00 0.00 H new ATOM 0 HB2 ALA A 117 7.602 2.247 6.308 1.00 0.00 H new ATOM 0 HB3 ALA A 117 8.217 2.372 7.973 1.00 0.00 H new ATOM 1704 N ASP A 118 10.615 3.652 8.603 1.00 0.00 N ATOM 1705 CA ASP A 118 11.298 4.495 9.628 1.00 0.00 C ATOM 1706 C ASP A 118 12.390 5.342 8.967 1.00 0.00 C ATOM 1707 O ASP A 118 12.809 6.350 9.499 1.00 0.00 O ATOM 1708 CB ASP A 118 11.930 3.592 10.691 1.00 0.00 C ATOM 1709 CG ASP A 118 10.941 3.385 11.840 1.00 0.00 C ATOM 1710 OD1 ASP A 118 9.750 3.482 11.596 1.00 0.00 O ATOM 1711 OD2 ASP A 118 11.392 3.133 12.946 1.00 0.00 O ATOM 0 H ASP A 118 10.522 2.665 8.845 1.00 0.00 H new ATOM 0 HA ASP A 118 10.565 5.155 10.093 1.00 0.00 H new ATOM 0 HB2 ASP A 118 12.201 2.631 10.253 1.00 0.00 H new ATOM 0 HB3 ASP A 118 12.849 4.042 11.065 1.00 0.00 H new ATOM 1716 N TYR A 119 12.860 4.942 7.816 1.00 0.00 N ATOM 1717 CA TYR A 119 13.931 5.727 7.136 1.00 0.00 C ATOM 1718 C TYR A 119 13.315 6.857 6.302 1.00 0.00 C ATOM 1719 O TYR A 119 13.825 7.960 6.268 1.00 0.00 O ATOM 1720 CB TYR A 119 14.731 4.803 6.214 1.00 0.00 C ATOM 1721 CG TYR A 119 15.305 3.656 7.011 1.00 0.00 C ATOM 1722 CD1 TYR A 119 15.622 3.829 8.364 1.00 0.00 C ATOM 1723 CD2 TYR A 119 15.523 2.419 6.393 1.00 0.00 C ATOM 1724 CE1 TYR A 119 16.157 2.764 9.098 1.00 0.00 C ATOM 1725 CE2 TYR A 119 16.059 1.354 7.128 1.00 0.00 C ATOM 1726 CZ TYR A 119 16.375 1.527 8.481 1.00 0.00 C ATOM 1727 OH TYR A 119 16.904 0.477 9.204 1.00 0.00 O ATOM 0 H TYR A 119 12.550 4.108 7.318 1.00 0.00 H new ATOM 0 HA TYR A 119 14.586 6.158 7.893 1.00 0.00 H new ATOM 0 HB2 TYR A 119 14.089 4.421 5.421 1.00 0.00 H new ATOM 0 HB3 TYR A 119 15.534 5.361 5.733 1.00 0.00 H new ATOM 0 HD1 TYR A 119 15.454 4.783 8.841 1.00 0.00 H new ATOM 0 HD2 TYR A 119 15.278 2.286 5.350 1.00 0.00 H new ATOM 0 HE1 TYR A 119 16.402 2.897 10.141 1.00 0.00 H new ATOM 0 HE2 TYR A 119 16.228 0.400 6.651 1.00 0.00 H new ATOM 0 HH TYR A 119 16.638 0.560 10.143 1.00 0.00 H new ATOM 1737 N LEU A 120 12.237 6.591 5.615 1.00 0.00 N ATOM 1738 CA LEU A 120 11.610 7.649 4.771 1.00 0.00 C ATOM 1739 C LEU A 120 10.802 8.615 5.641 1.00 0.00 C ATOM 1740 O LEU A 120 11.019 9.810 5.616 1.00 0.00 O ATOM 1741 CB LEU A 120 10.690 6.988 3.743 1.00 0.00 C ATOM 1742 CG LEU A 120 11.443 6.813 2.423 1.00 0.00 C ATOM 1743 CD1 LEU A 120 10.924 5.569 1.700 1.00 0.00 C ATOM 1744 CD2 LEU A 120 11.221 8.047 1.543 1.00 0.00 C ATOM 0 H LEU A 120 11.764 5.688 5.602 1.00 0.00 H new ATOM 0 HA LEU A 120 12.392 8.212 4.261 1.00 0.00 H new ATOM 0 HB2 LEU A 120 10.351 6.020 4.112 1.00 0.00 H new ATOM 0 HB3 LEU A 120 9.801 7.599 3.589 1.00 0.00 H new ATOM 0 HG LEU A 120 12.508 6.697 2.624 1.00 0.00 H new ATOM 0 HD11 LEU A 120 11.461 5.444 0.759 1.00 0.00 H new ATOM 0 HD12 LEU A 120 11.082 4.691 2.327 1.00 0.00 H new ATOM 0 HD13 LEU A 120 9.859 5.683 1.498 1.00 0.00 H new ATOM 0 HD21 LEU A 120 11.757 7.924 0.602 1.00 0.00 H new ATOM 0 HD22 LEU A 120 10.156 8.163 1.342 1.00 0.00 H new ATOM 0 HD23 LEU A 120 11.592 8.933 2.058 1.00 0.00 H new ATOM 1756 N ILE A 121 9.865 8.110 6.401 1.00 0.00 N ATOM 1757 CA ILE A 121 9.036 8.997 7.269 1.00 0.00 C ATOM 1758 C ILE A 121 9.915 10.087 7.887 1.00 0.00 C ATOM 1759 O ILE A 121 9.481 11.202 8.098 1.00 0.00 O ATOM 1760 CB ILE A 121 8.395 8.165 8.382 1.00 0.00 C ATOM 1761 CG1 ILE A 121 7.414 7.165 7.765 1.00 0.00 C ATOM 1762 CG2 ILE A 121 7.642 9.084 9.344 1.00 0.00 C ATOM 1763 CD1 ILE A 121 7.365 5.900 8.624 1.00 0.00 C ATOM 0 H ILE A 121 9.638 7.117 6.458 1.00 0.00 H new ATOM 0 HA ILE A 121 8.257 9.464 6.667 1.00 0.00 H new ATOM 0 HB ILE A 121 9.173 7.630 8.927 1.00 0.00 H new ATOM 0 HG12 ILE A 121 6.421 7.609 7.696 1.00 0.00 H new ATOM 0 HG13 ILE A 121 7.723 6.916 6.750 1.00 0.00 H new ATOM 0 HG21 ILE A 121 7.187 8.488 10.135 1.00 0.00 H new ATOM 0 HG22 ILE A 121 8.337 9.800 9.783 1.00 0.00 H new ATOM 0 HG23 ILE A 121 6.864 9.621 8.801 1.00 0.00 H new ATOM 0 HD11 ILE A 121 6.666 5.188 8.184 1.00 0.00 H new ATOM 0 HD12 ILE A 121 8.358 5.453 8.670 1.00 0.00 H new ATOM 0 HD13 ILE A 121 7.036 6.156 9.631 1.00 0.00 H new ATOM 1775 N GLY A 122 11.149 9.778 8.174 1.00 0.00 N ATOM 1776 CA GLY A 122 12.052 10.802 8.772 1.00 0.00 C ATOM 1777 C GLY A 122 12.328 11.897 7.739 1.00 0.00 C ATOM 1778 O GLY A 122 12.171 13.072 8.008 1.00 0.00 O ATOM 0 H GLY A 122 11.571 8.862 8.021 1.00 0.00 H new ATOM 0 HA2 GLY A 122 11.593 11.233 9.662 1.00 0.00 H new ATOM 0 HA3 GLY A 122 12.987 10.339 9.087 1.00 0.00 H new ATOM 1782 N GLN A 123 12.739 11.521 6.558 1.00 0.00 N ATOM 1783 CA GLN A 123 13.026 12.540 5.508 1.00 0.00 C ATOM 1784 C GLN A 123 11.758 13.352 5.224 1.00 0.00 C ATOM 1785 O GLN A 123 11.662 14.512 5.573 1.00 0.00 O ATOM 1786 CB GLN A 123 13.484 11.838 4.227 1.00 0.00 C ATOM 1787 CG GLN A 123 14.593 10.839 4.565 1.00 0.00 C ATOM 1788 CD GLN A 123 15.504 10.658 3.348 1.00 0.00 C ATOM 1789 OE1 GLN A 123 15.164 11.062 2.254 1.00 0.00 O ATOM 1790 NE2 GLN A 123 16.657 10.064 3.493 1.00 0.00 N ATOM 0 H GLN A 123 12.888 10.552 6.275 1.00 0.00 H new ATOM 0 HA GLN A 123 13.814 13.209 5.855 1.00 0.00 H new ATOM 0 HB2 GLN A 123 12.644 11.322 3.761 1.00 0.00 H new ATOM 0 HB3 GLN A 123 13.847 12.571 3.507 1.00 0.00 H new ATOM 0 HG2 GLN A 123 15.172 11.196 5.416 1.00 0.00 H new ATOM 0 HG3 GLN A 123 14.159 9.882 4.854 1.00 0.00 H new ATOM 0 HE21 GLN A 123 16.944 9.724 4.411 1.00 0.00 H new ATOM 0 HE22 GLN A 123 17.271 9.940 2.688 1.00 0.00 H new ATOM 1799 N GLY A 124 10.784 12.754 4.592 1.00 0.00 N ATOM 1800 CA GLY A 124 9.526 13.496 4.291 1.00 0.00 C ATOM 1801 C GLY A 124 9.167 13.319 2.814 1.00 0.00 C ATOM 1802 O GLY A 124 9.851 13.807 1.937 1.00 0.00 O ATOM 0 H GLY A 124 10.805 11.786 4.272 1.00 0.00 H new ATOM 0 HA2 GLY A 124 8.715 13.128 4.919 1.00 0.00 H new ATOM 0 HA3 GLY A 124 9.652 14.554 4.521 1.00 0.00 H new ATOM 1806 N PHE A 125 8.098 12.625 2.531 1.00 0.00 N ATOM 1807 CA PHE A 125 7.699 12.419 1.110 1.00 0.00 C ATOM 1808 C PHE A 125 7.316 13.763 0.486 1.00 0.00 C ATOM 1809 O PHE A 125 8.194 14.413 -0.058 1.00 0.00 O ATOM 1810 CB PHE A 125 6.505 11.464 1.047 1.00 0.00 C ATOM 1811 CG PHE A 125 6.871 10.161 1.716 1.00 0.00 C ATOM 1812 CD1 PHE A 125 7.491 9.148 0.976 1.00 0.00 C ATOM 1813 CD2 PHE A 125 6.593 9.965 3.074 1.00 0.00 C ATOM 1814 CE1 PHE A 125 7.835 7.939 1.594 1.00 0.00 C ATOM 1815 CE2 PHE A 125 6.936 8.756 3.691 1.00 0.00 C ATOM 1816 CZ PHE A 125 7.557 7.743 2.951 1.00 0.00 C ATOM 1817 OXT PHE A 125 6.151 14.119 0.562 1.00 0.00 O ATOM 0 H PHE A 125 7.485 12.192 3.222 1.00 0.00 H new ATOM 0 HA PHE A 125 8.534 11.989 0.557 1.00 0.00 H new ATOM 0 HB2 PHE A 125 5.642 11.910 1.541 1.00 0.00 H new ATOM 0 HB3 PHE A 125 6.221 11.286 0.010 1.00 0.00 H new ATOM 0 HD1 PHE A 125 7.704 9.298 -0.072 1.00 0.00 H new ATOM 0 HD2 PHE A 125 6.114 10.746 3.646 1.00 0.00 H new ATOM 0 HE1 PHE A 125 8.315 7.158 1.023 1.00 0.00 H new ATOM 0 HE2 PHE A 125 6.721 8.605 4.739 1.00 0.00 H new ATOM 0 HZ PHE A 125 7.821 6.811 3.427 1.00 0.00 H new