USER MOD reduce.3.24.130724 H: found=0, std=0, add=871, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 869 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 75 THR OG1 : rot 118:sc= 0.407 USER MOD Set 1.2: A 88 GLN : amide:sc= 0.153 K(o=0.56,f=-3.7) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 27:sc= 0.0819 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0161 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.123 K(o=-0.12,f=-0.75) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.00897 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ -157:sc= 0.29 (180deg=0.165) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.335 K(o=-0.34,f=-1.1) USER MOD Single : A 40 HIS : no HE2:sc= -1.57! C(o=-1.6!,f=-5.8!) USER MOD Single : A 43 ASN :FLIP amide:sc= 0 F(o=-0.77,f=0) USER MOD Single : A 46 THR OG1 : rot 180:sc=-0.00889 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -43:sc= 0.284 USER MOD Single : A 64 GLN : amide:sc= -1.89! X(o=-1.9!,f=-2.3) USER MOD Single : A 66 ASN : amide:sc= -0.0261 X(o=-0.026,f=-0.023) USER MOD Single : A 71 MET CE :methyl -113:sc= -0.97 (180deg=-2.47!) USER MOD Single : A 73 ASN : amide:sc= 0.426 K(o=0.43,f=-4.4!) USER MOD Single : A 77 MET CE :methyl -166:sc= -3.32 (180deg=-4.05!) USER MOD Single : A 82 HIS : no HD1:sc= -0.394 X(o=-0.39,f=0.0031) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -0.0259 K(o=-0.026,f=-1.2) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 93:sc= -0.652 USER MOD Single : A 94 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.0013) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=-0.076) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.820 -21.199 -16.786 1.00 0.00 N ATOM 2 CA GLY A 1 -14.353 -22.527 -16.431 1.00 0.00 C ATOM 3 C GLY A 1 -14.547 -22.836 -14.960 1.00 0.00 C ATOM 4 O GLY A 1 -15.365 -23.682 -14.599 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.665 -21.037 -17.802 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.835 -21.120 -16.573 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.295 -20.488 -16.238 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.885 -23.268 -17.028 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.296 -22.616 -16.681 1.00 0.00 H new ATOM 8 N SER A 2 -13.791 -22.150 -14.108 1.00 0.00 N ATOM 9 CA SER A 2 -13.880 -22.360 -12.668 1.00 0.00 C ATOM 10 C SER A 2 -14.267 -21.069 -11.954 1.00 0.00 C ATOM 11 O SER A 2 -15.126 -21.068 -11.072 1.00 0.00 O ATOM 12 CB SER A 2 -12.547 -22.877 -12.124 1.00 0.00 C ATOM 13 OG SER A 2 -12.710 -23.452 -10.839 1.00 0.00 O ATOM 0 H SER A 2 -13.111 -21.445 -14.390 1.00 0.00 H new ATOM 0 HA SER A 2 -14.654 -23.104 -12.481 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.134 -23.618 -12.808 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.830 -22.058 -12.071 1.00 0.00 H new ATOM 0 HG SER A 2 -11.844 -23.777 -10.514 1.00 0.00 H new ATOM 19 N SER A 3 -13.627 -19.970 -12.341 1.00 0.00 N ATOM 20 CA SER A 3 -13.901 -18.672 -11.736 1.00 0.00 C ATOM 21 C SER A 3 -15.335 -18.233 -12.017 1.00 0.00 C ATOM 22 O SER A 3 -15.764 -18.177 -13.169 1.00 0.00 O ATOM 23 CB SER A 3 -12.921 -17.622 -12.265 1.00 0.00 C ATOM 24 OG SER A 3 -12.913 -17.601 -13.682 1.00 0.00 O ATOM 0 H SER A 3 -12.915 -19.953 -13.071 1.00 0.00 H new ATOM 0 HA SER A 3 -13.774 -18.767 -10.658 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.197 -16.638 -11.885 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.918 -17.837 -11.896 1.00 0.00 H new ATOM 0 HG SER A 3 -13.777 -17.918 -14.019 1.00 0.00 H new ATOM 30 N GLY A 4 -16.071 -17.922 -10.955 1.00 0.00 N ATOM 31 CA GLY A 4 -17.448 -17.492 -11.107 1.00 0.00 C ATOM 32 C GLY A 4 -18.371 -18.129 -10.087 1.00 0.00 C ATOM 33 O GLY A 4 -18.915 -17.446 -9.219 1.00 0.00 O ATOM 0 H GLY A 4 -15.738 -17.960 -9.992 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.499 -16.407 -11.011 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.794 -17.740 -12.110 1.00 0.00 H new ATOM 37 N SER A 5 -18.549 -19.442 -10.191 1.00 0.00 N ATOM 38 CA SER A 5 -19.416 -20.171 -9.273 1.00 0.00 C ATOM 39 C SER A 5 -18.605 -20.810 -8.150 1.00 0.00 C ATOM 40 O SER A 5 -18.945 -20.684 -6.974 1.00 0.00 O ATOM 41 CB SER A 5 -20.201 -21.247 -10.026 1.00 0.00 C ATOM 42 OG SER A 5 -19.330 -22.119 -10.724 1.00 0.00 O ATOM 0 H SER A 5 -18.104 -20.023 -10.902 1.00 0.00 H new ATOM 0 HA SER A 5 -20.116 -19.461 -8.833 1.00 0.00 H new ATOM 0 HB2 SER A 5 -20.806 -21.819 -9.323 1.00 0.00 H new ATOM 0 HB3 SER A 5 -20.888 -20.776 -10.728 1.00 0.00 H new ATOM 0 HG SER A 5 -19.856 -22.798 -11.195 1.00 0.00 H new ATOM 48 N SER A 6 -17.529 -21.497 -8.522 1.00 0.00 N ATOM 49 CA SER A 6 -16.670 -22.159 -7.548 1.00 0.00 C ATOM 50 C SER A 6 -15.472 -21.283 -7.196 1.00 0.00 C ATOM 51 O SER A 6 -15.363 -20.782 -6.078 1.00 0.00 O ATOM 52 CB SER A 6 -16.189 -23.506 -8.093 1.00 0.00 C ATOM 53 OG SER A 6 -15.736 -24.347 -7.047 1.00 0.00 O ATOM 0 H SER A 6 -17.232 -21.609 -9.491 1.00 0.00 H new ATOM 0 HA SER A 6 -17.252 -22.328 -6.642 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.001 -23.995 -8.631 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.383 -23.345 -8.809 1.00 0.00 H new ATOM 0 HG SER A 6 -15.436 -25.202 -7.421 1.00 0.00 H new ATOM 59 N GLY A 7 -14.574 -21.103 -8.160 1.00 0.00 N ATOM 60 CA GLY A 7 -13.395 -20.288 -7.933 1.00 0.00 C ATOM 61 C GLY A 7 -13.735 -18.922 -7.371 1.00 0.00 C ATOM 62 O GLY A 7 -14.906 -18.560 -7.267 1.00 0.00 O ATOM 0 H GLY A 7 -14.642 -21.507 -9.094 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.727 -20.805 -7.244 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.854 -20.167 -8.872 1.00 0.00 H new ATOM 66 N MET A 8 -12.707 -18.163 -7.005 1.00 0.00 N ATOM 67 CA MET A 8 -12.903 -16.828 -6.449 1.00 0.00 C ATOM 68 C MET A 8 -12.817 -15.767 -7.541 1.00 0.00 C ATOM 69 O MET A 8 -12.246 -16.004 -8.605 1.00 0.00 O ATOM 70 CB MET A 8 -11.862 -16.547 -5.364 1.00 0.00 C ATOM 71 CG MET A 8 -12.349 -15.590 -4.288 1.00 0.00 C ATOM 72 SD MET A 8 -12.016 -13.864 -4.691 1.00 0.00 S ATOM 73 CE MET A 8 -10.856 -13.432 -3.397 1.00 0.00 C ATOM 0 H MET A 8 -11.731 -18.449 -7.083 1.00 0.00 H new ATOM 0 HA MET A 8 -13.898 -16.788 -6.006 1.00 0.00 H new ATOM 0 HB2 MET A 8 -11.572 -17.488 -4.897 1.00 0.00 H new ATOM 0 HB3 MET A 8 -10.967 -16.133 -5.829 1.00 0.00 H new ATOM 0 HG2 MET A 8 -13.421 -15.725 -4.145 1.00 0.00 H new ATOM 0 HG3 MET A 8 -11.867 -15.838 -3.342 1.00 0.00 H new ATOM 0 HE1 MET A 8 -10.555 -12.391 -3.511 1.00 0.00 H new ATOM 0 HE2 MET A 8 -11.328 -13.569 -2.424 1.00 0.00 H new ATOM 0 HE3 MET A 8 -9.977 -14.073 -3.467 1.00 0.00 H new ATOM 83 N GLU A 9 -13.387 -14.597 -7.269 1.00 0.00 N ATOM 84 CA GLU A 9 -13.374 -13.500 -8.230 1.00 0.00 C ATOM 85 C GLU A 9 -11.981 -12.888 -8.339 1.00 0.00 C ATOM 86 O GLU A 9 -11.055 -13.300 -7.641 1.00 0.00 O ATOM 87 CB GLU A 9 -14.385 -12.426 -7.824 1.00 0.00 C ATOM 88 CG GLU A 9 -15.830 -12.821 -8.081 1.00 0.00 C ATOM 89 CD GLU A 9 -16.818 -11.905 -7.385 1.00 0.00 C ATOM 90 OE1 GLU A 9 -16.776 -11.823 -6.139 1.00 0.00 O ATOM 91 OE2 GLU A 9 -17.633 -11.270 -8.086 1.00 0.00 O ATOM 0 H GLU A 9 -13.863 -14.385 -6.392 1.00 0.00 H new ATOM 0 HA GLU A 9 -13.652 -13.901 -9.205 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -14.261 -12.204 -6.764 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -14.166 -11.508 -8.369 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -16.021 -12.807 -9.154 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -15.989 -13.845 -7.742 1.00 0.00 H new ATOM 98 N GLU A 10 -11.841 -11.902 -9.219 1.00 0.00 N ATOM 99 CA GLU A 10 -10.560 -11.234 -9.420 1.00 0.00 C ATOM 100 C GLU A 10 -10.532 -9.885 -8.707 1.00 0.00 C ATOM 101 O GLU A 10 -11.555 -9.411 -8.210 1.00 0.00 O ATOM 102 CB GLU A 10 -10.290 -11.039 -10.913 1.00 0.00 C ATOM 103 CG GLU A 10 -10.085 -12.341 -11.669 1.00 0.00 C ATOM 104 CD GLU A 10 -11.391 -12.971 -12.112 1.00 0.00 C ATOM 105 OE1 GLU A 10 -12.055 -13.614 -11.273 1.00 0.00 O ATOM 106 OE2 GLU A 10 -11.750 -12.819 -13.299 1.00 0.00 O ATOM 0 H GLU A 10 -12.598 -11.548 -9.804 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.780 -11.866 -8.996 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.126 -10.498 -11.357 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.405 -10.414 -11.035 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.461 -12.155 -12.543 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -9.544 -13.043 -11.035 1.00 0.00 H new ATOM 113 N VAL A 11 -9.354 -9.271 -8.659 1.00 0.00 N ATOM 114 CA VAL A 11 -9.192 -7.977 -8.008 1.00 0.00 C ATOM 115 C VAL A 11 -8.008 -7.213 -8.591 1.00 0.00 C ATOM 116 O VAL A 11 -6.973 -7.799 -8.907 1.00 0.00 O ATOM 117 CB VAL A 11 -8.989 -8.135 -6.489 1.00 0.00 C ATOM 118 CG1 VAL A 11 -7.710 -8.905 -6.198 1.00 0.00 C ATOM 119 CG2 VAL A 11 -8.967 -6.773 -5.811 1.00 0.00 C ATOM 0 H VAL A 11 -8.498 -9.649 -9.064 1.00 0.00 H new ATOM 0 HA VAL A 11 -10.108 -7.415 -8.188 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.826 -8.704 -6.085 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -7.584 -9.007 -5.120 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -7.770 -9.895 -6.651 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -6.858 -8.366 -6.614 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -8.823 -6.903 -4.738 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -8.150 -6.177 -6.218 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.913 -6.262 -5.991 1.00 0.00 H new ATOM 129 N ILE A 12 -8.169 -5.901 -8.731 1.00 0.00 N ATOM 130 CA ILE A 12 -7.113 -5.057 -9.275 1.00 0.00 C ATOM 131 C ILE A 12 -6.354 -4.341 -8.162 1.00 0.00 C ATOM 132 O ILE A 12 -6.842 -3.365 -7.593 1.00 0.00 O ATOM 133 CB ILE A 12 -7.678 -4.009 -10.252 1.00 0.00 C ATOM 134 CG1 ILE A 12 -8.717 -4.648 -11.175 1.00 0.00 C ATOM 135 CG2 ILE A 12 -6.554 -3.382 -11.064 1.00 0.00 C ATOM 136 CD1 ILE A 12 -9.499 -3.643 -11.992 1.00 0.00 C ATOM 0 H ILE A 12 -9.020 -5.400 -8.475 1.00 0.00 H new ATOM 0 HA ILE A 12 -6.430 -5.713 -9.814 1.00 0.00 H new ATOM 0 HB ILE A 12 -8.166 -3.223 -9.676 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -8.214 -5.341 -11.850 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.412 -5.236 -10.575 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -6.969 -2.643 -11.750 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -5.847 -2.896 -10.392 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -6.040 -4.157 -11.633 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -10.217 -4.167 -12.623 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -10.030 -2.965 -11.324 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -8.814 -3.072 -12.619 1.00 0.00 H new ATOM 148 N TRP A 13 -5.158 -4.832 -7.860 1.00 0.00 N ATOM 149 CA TRP A 13 -4.330 -4.238 -6.816 1.00 0.00 C ATOM 150 C TRP A 13 -3.626 -2.986 -7.327 1.00 0.00 C ATOM 151 O TRP A 13 -2.677 -3.071 -8.106 1.00 0.00 O ATOM 152 CB TRP A 13 -3.298 -5.251 -6.318 1.00 0.00 C ATOM 153 CG TRP A 13 -3.906 -6.405 -5.580 1.00 0.00 C ATOM 154 CD1 TRP A 13 -4.534 -7.488 -6.126 1.00 0.00 C ATOM 155 CD2 TRP A 13 -3.946 -6.589 -4.161 1.00 0.00 C ATOM 156 NE1 TRP A 13 -4.962 -8.334 -5.132 1.00 0.00 N ATOM 157 CE2 TRP A 13 -4.613 -7.806 -3.917 1.00 0.00 C ATOM 158 CE3 TRP A 13 -3.482 -5.846 -3.072 1.00 0.00 C ATOM 159 CZ2 TRP A 13 -4.826 -8.293 -2.630 1.00 0.00 C ATOM 160 CZ3 TRP A 13 -3.695 -6.331 -1.795 1.00 0.00 C ATOM 161 CH2 TRP A 13 -4.361 -7.545 -1.583 1.00 0.00 C ATOM 0 H TRP A 13 -4.740 -5.639 -8.322 1.00 0.00 H new ATOM 0 HA TRP A 13 -4.980 -3.955 -5.988 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -2.732 -5.631 -7.169 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -2.588 -4.744 -5.664 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -4.674 -7.655 -7.184 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -5.459 -9.213 -5.275 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -2.966 -4.910 -3.225 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -5.340 -9.228 -2.464 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -3.342 -5.764 -0.946 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -4.510 -7.897 -0.573 1.00 0.00 H new ATOM 172 N GLU A 14 -4.096 -1.825 -6.883 1.00 0.00 N ATOM 173 CA GLU A 14 -3.511 -0.555 -7.297 1.00 0.00 C ATOM 174 C GLU A 14 -2.475 -0.078 -6.283 1.00 0.00 C ATOM 175 O GLU A 14 -2.624 -0.294 -5.081 1.00 0.00 O ATOM 176 CB GLU A 14 -4.602 0.504 -7.466 1.00 0.00 C ATOM 177 CG GLU A 14 -5.648 0.140 -8.506 1.00 0.00 C ATOM 178 CD GLU A 14 -5.299 0.653 -9.889 1.00 0.00 C ATOM 179 OE1 GLU A 14 -4.538 1.639 -9.982 1.00 0.00 O ATOM 180 OE2 GLU A 14 -5.786 0.068 -10.879 1.00 0.00 O ATOM 0 H GLU A 14 -4.880 -1.737 -6.237 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.013 -0.708 -8.255 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.095 0.662 -6.507 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.138 1.450 -7.745 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.758 -0.944 -8.542 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.613 0.548 -8.204 1.00 0.00 H new ATOM 187 N GLN A 15 -1.427 0.572 -6.778 1.00 0.00 N ATOM 188 CA GLN A 15 -0.366 1.079 -5.916 1.00 0.00 C ATOM 189 C GLN A 15 -0.596 2.548 -5.575 1.00 0.00 C ATOM 190 O GLN A 15 -0.889 3.360 -6.453 1.00 0.00 O ATOM 191 CB GLN A 15 0.996 0.907 -6.592 1.00 0.00 C ATOM 192 CG GLN A 15 1.680 -0.408 -6.257 1.00 0.00 C ATOM 193 CD GLN A 15 2.657 -0.848 -7.329 1.00 0.00 C ATOM 194 OE1 GLN A 15 2.386 -0.718 -8.523 1.00 0.00 O ATOM 195 NE2 GLN A 15 3.802 -1.371 -6.908 1.00 0.00 N ATOM 0 H GLN A 15 -1.290 0.760 -7.771 1.00 0.00 H new ATOM 0 HA GLN A 15 -0.379 0.504 -4.990 1.00 0.00 H new ATOM 0 HB2 GLN A 15 0.867 0.975 -7.672 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.646 1.731 -6.296 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.208 -0.307 -5.309 1.00 0.00 H new ATOM 0 HG3 GLN A 15 0.924 -1.182 -6.120 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.985 -1.460 -5.909 1.00 0.00 H new ATOM 0 HE22 GLN A 15 4.499 -1.684 -7.584 1.00 0.00 H new ATOM 204 N TYR A 16 -0.462 2.881 -4.297 1.00 0.00 N ATOM 205 CA TYR A 16 -0.659 4.252 -3.840 1.00 0.00 C ATOM 206 C TYR A 16 0.641 4.835 -3.293 1.00 0.00 C ATOM 207 O TYR A 16 1.126 4.423 -2.239 1.00 0.00 O ATOM 208 CB TYR A 16 -1.746 4.303 -2.765 1.00 0.00 C ATOM 209 CG TYR A 16 -3.092 3.806 -3.242 1.00 0.00 C ATOM 210 CD1 TYR A 16 -3.250 2.507 -3.708 1.00 0.00 C ATOM 211 CD2 TYR A 16 -4.206 4.637 -3.227 1.00 0.00 C ATOM 212 CE1 TYR A 16 -4.478 2.049 -4.145 1.00 0.00 C ATOM 213 CE2 TYR A 16 -5.438 4.187 -3.660 1.00 0.00 C ATOM 214 CZ TYR A 16 -5.569 2.893 -4.119 1.00 0.00 C ATOM 215 OH TYR A 16 -6.794 2.441 -4.553 1.00 0.00 O ATOM 0 H TYR A 16 -0.218 2.221 -3.559 1.00 0.00 H new ATOM 0 HA TYR A 16 -0.975 4.851 -4.694 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -1.429 3.705 -1.911 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -1.851 5.330 -2.414 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.398 1.844 -3.729 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -4.107 5.652 -2.871 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.583 1.036 -4.505 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -6.294 4.845 -3.639 1.00 0.00 H new ATOM 0 HH TYR A 16 -7.456 3.158 -4.468 1.00 0.00 H new ATOM 225 N THR A 17 1.200 5.800 -4.017 1.00 0.00 N ATOM 226 CA THR A 17 2.443 6.441 -3.607 1.00 0.00 C ATOM 227 C THR A 17 2.171 7.762 -2.896 1.00 0.00 C ATOM 228 O THR A 17 1.920 8.783 -3.536 1.00 0.00 O ATOM 229 CB THR A 17 3.365 6.701 -4.813 1.00 0.00 C ATOM 230 OG1 THR A 17 3.573 5.485 -5.541 1.00 0.00 O ATOM 231 CG2 THR A 17 4.705 7.261 -4.358 1.00 0.00 C ATOM 0 H THR A 17 0.811 6.155 -4.891 1.00 0.00 H new ATOM 0 HA THR A 17 2.940 5.757 -2.920 1.00 0.00 H new ATOM 0 HB THR A 17 2.883 7.434 -5.460 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.159 5.659 -6.307 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.340 7.437 -5.227 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.546 8.200 -3.829 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.190 6.547 -3.692 1.00 0.00 H new ATOM 239 N VAL A 18 2.223 7.735 -1.568 1.00 0.00 N ATOM 240 CA VAL A 18 1.985 8.932 -0.769 1.00 0.00 C ATOM 241 C VAL A 18 3.207 9.283 0.072 1.00 0.00 C ATOM 242 O VAL A 18 3.914 8.401 0.560 1.00 0.00 O ATOM 243 CB VAL A 18 0.770 8.753 0.160 1.00 0.00 C ATOM 244 CG1 VAL A 18 -0.521 9.058 -0.585 1.00 0.00 C ATOM 245 CG2 VAL A 18 0.742 7.346 0.736 1.00 0.00 C ATOM 0 H VAL A 18 2.428 6.898 -1.023 1.00 0.00 H new ATOM 0 HA VAL A 18 1.783 9.744 -1.467 1.00 0.00 H new ATOM 0 HB VAL A 18 0.860 9.458 0.987 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.369 8.926 0.087 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.499 10.087 -0.944 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.621 8.380 -1.432 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.123 7.238 1.390 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.676 6.622 -0.076 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.653 7.169 1.307 1.00 0.00 H new ATOM 255 N THR A 19 3.450 10.580 0.239 1.00 0.00 N ATOM 256 CA THR A 19 4.587 11.049 1.021 1.00 0.00 C ATOM 257 C THR A 19 4.141 11.561 2.386 1.00 0.00 C ATOM 258 O THR A 19 3.213 12.365 2.487 1.00 0.00 O ATOM 259 CB THR A 19 5.348 12.170 0.289 1.00 0.00 C ATOM 260 OG1 THR A 19 4.473 12.839 -0.627 1.00 0.00 O ATOM 261 CG2 THR A 19 6.545 11.609 -0.463 1.00 0.00 C ATOM 0 H THR A 19 2.875 11.323 -0.157 1.00 0.00 H new ATOM 0 HA THR A 19 5.252 10.196 1.155 1.00 0.00 H new ATOM 0 HB THR A 19 5.707 12.881 1.033 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.964 13.551 -1.087 1.00 0.00 H new ATOM 0 HG21 THR A 19 7.067 12.419 -0.972 1.00 0.00 H new ATOM 0 HG22 THR A 19 7.223 11.126 0.241 1.00 0.00 H new ATOM 0 HG23 THR A 19 6.204 10.879 -1.197 1.00 0.00 H new ATOM 269 N LEU A 20 4.807 11.091 3.435 1.00 0.00 N ATOM 270 CA LEU A 20 4.480 11.503 4.796 1.00 0.00 C ATOM 271 C LEU A 20 5.560 12.420 5.362 1.00 0.00 C ATOM 272 O LEU A 20 6.751 12.192 5.156 1.00 0.00 O ATOM 273 CB LEU A 20 4.315 10.276 5.695 1.00 0.00 C ATOM 274 CG LEU A 20 3.405 9.170 5.160 1.00 0.00 C ATOM 275 CD1 LEU A 20 3.818 7.819 5.724 1.00 0.00 C ATOM 276 CD2 LEU A 20 1.950 9.468 5.495 1.00 0.00 C ATOM 0 H LEU A 20 5.576 10.425 3.370 1.00 0.00 H new ATOM 0 HA LEU A 20 3.540 12.054 4.767 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.301 9.850 5.879 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.925 10.606 6.658 1.00 0.00 H new ATOM 0 HG LEU A 20 3.508 9.134 4.075 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.159 7.044 5.332 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.846 7.602 5.433 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.745 7.841 6.811 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.317 8.671 5.107 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.831 9.532 6.577 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.659 10.416 5.042 1.00 0.00 H new ATOM 288 N GLN A 21 5.134 13.456 6.078 1.00 0.00 N ATOM 289 CA GLN A 21 6.064 14.406 6.675 1.00 0.00 C ATOM 290 C GLN A 21 6.321 14.069 8.140 1.00 0.00 C ATOM 291 O GLN A 21 5.386 13.903 8.923 1.00 0.00 O ATOM 292 CB GLN A 21 5.519 15.830 6.554 1.00 0.00 C ATOM 293 CG GLN A 21 5.204 16.242 5.125 1.00 0.00 C ATOM 294 CD GLN A 21 4.964 17.733 4.987 1.00 0.00 C ATOM 295 OE1 GLN A 21 4.060 18.288 5.613 1.00 0.00 O ATOM 296 NE2 GLN A 21 5.773 18.390 4.165 1.00 0.00 N ATOM 0 H GLN A 21 4.151 13.658 6.258 1.00 0.00 H new ATOM 0 HA GLN A 21 7.009 14.339 6.135 1.00 0.00 H new ATOM 0 HB2 GLN A 21 4.614 15.916 7.156 1.00 0.00 H new ATOM 0 HB3 GLN A 21 6.247 16.525 6.972 1.00 0.00 H new ATOM 0 HG2 GLN A 21 6.029 15.949 4.476 1.00 0.00 H new ATOM 0 HG3 GLN A 21 4.321 15.702 4.781 1.00 0.00 H new ATOM 0 HE21 GLN A 21 6.509 17.890 3.666 1.00 0.00 H new ATOM 0 HE22 GLN A 21 5.659 19.395 4.032 1.00 0.00 H new ATOM 305 N LYS A 22 7.595 13.970 8.504 1.00 0.00 N ATOM 306 CA LYS A 22 7.976 13.654 9.876 1.00 0.00 C ATOM 307 C LYS A 22 7.440 14.703 10.845 1.00 0.00 C ATOM 308 O LYS A 22 8.139 15.653 11.197 1.00 0.00 O ATOM 309 CB LYS A 22 9.499 13.566 9.996 1.00 0.00 C ATOM 310 CG LYS A 22 9.970 12.806 11.224 1.00 0.00 C ATOM 311 CD LYS A 22 11.274 12.073 10.961 1.00 0.00 C ATOM 312 CE LYS A 22 11.029 10.643 10.505 1.00 0.00 C ATOM 313 NZ LYS A 22 12.105 9.722 10.963 1.00 0.00 N ATOM 0 H LYS A 22 8.381 14.104 7.868 1.00 0.00 H new ATOM 0 HA LYS A 22 7.540 12.689 10.135 1.00 0.00 H new ATOM 0 HB2 LYS A 22 9.898 13.082 9.105 1.00 0.00 H new ATOM 0 HB3 LYS A 22 9.912 14.574 10.023 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.103 13.500 12.054 1.00 0.00 H new ATOM 0 HG3 LYS A 22 9.205 12.091 11.526 1.00 0.00 H new ATOM 0 HD2 LYS A 22 11.845 12.606 10.200 1.00 0.00 H new ATOM 0 HD3 LYS A 22 11.879 12.068 11.868 1.00 0.00 H new ATOM 0 HE2 LYS A 22 10.069 10.299 10.889 1.00 0.00 H new ATOM 0 HE3 LYS A 22 10.966 10.615 9.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 12.133 8.886 10.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 13.021 10.212 10.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 11.913 9.423 11.941 1.00 0.00 H new ATOM 327 N ASP A 23 6.195 14.523 11.274 1.00 0.00 N ATOM 328 CA ASP A 23 5.566 15.452 12.206 1.00 0.00 C ATOM 329 C ASP A 23 6.437 15.656 13.442 1.00 0.00 C ATOM 330 O ASP A 23 7.547 15.132 13.524 1.00 0.00 O ATOM 331 CB ASP A 23 4.186 14.938 12.618 1.00 0.00 C ATOM 332 CG ASP A 23 3.080 15.473 11.729 1.00 0.00 C ATOM 333 OD1 ASP A 23 3.275 15.509 10.496 1.00 0.00 O ATOM 334 OD2 ASP A 23 2.020 15.857 12.267 1.00 0.00 O ATOM 0 H ASP A 23 5.602 13.743 10.991 1.00 0.00 H new ATOM 0 HA ASP A 23 5.452 16.412 11.702 1.00 0.00 H new ATOM 0 HB2 ASP A 23 4.182 13.849 12.583 1.00 0.00 H new ATOM 0 HB3 ASP A 23 3.988 15.224 13.651 1.00 0.00 H new ATOM 339 N SER A 24 5.925 16.422 14.400 1.00 0.00 N ATOM 340 CA SER A 24 6.657 16.699 15.630 1.00 0.00 C ATOM 341 C SER A 24 7.416 15.462 16.101 1.00 0.00 C ATOM 342 O SER A 24 8.629 15.355 15.917 1.00 0.00 O ATOM 343 CB SER A 24 5.698 17.170 16.725 1.00 0.00 C ATOM 344 OG SER A 24 5.088 18.400 16.373 1.00 0.00 O ATOM 0 H SER A 24 5.006 16.862 14.348 1.00 0.00 H new ATOM 0 HA SER A 24 7.378 17.490 15.424 1.00 0.00 H new ATOM 0 HB2 SER A 24 4.931 16.414 16.891 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.240 17.285 17.663 1.00 0.00 H new ATOM 0 HG SER A 24 4.478 18.679 17.088 1.00 0.00 H new ATOM 350 N LYS A 25 6.693 14.529 16.710 1.00 0.00 N ATOM 351 CA LYS A 25 7.294 13.297 17.208 1.00 0.00 C ATOM 352 C LYS A 25 6.798 12.091 16.418 1.00 0.00 C ATOM 353 O LYS A 25 7.591 11.275 15.948 1.00 0.00 O ATOM 354 CB LYS A 25 6.976 13.114 18.694 1.00 0.00 C ATOM 355 CG LYS A 25 7.849 13.952 19.611 1.00 0.00 C ATOM 356 CD LYS A 25 7.233 15.315 19.875 1.00 0.00 C ATOM 357 CE LYS A 25 7.761 15.925 21.165 1.00 0.00 C ATOM 358 NZ LYS A 25 9.166 16.396 21.021 1.00 0.00 N ATOM 0 H LYS A 25 5.688 14.602 16.871 1.00 0.00 H new ATOM 0 HA LYS A 25 8.374 13.372 17.081 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.931 13.370 18.867 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.094 12.062 18.955 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.994 13.428 20.556 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.834 14.078 19.162 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.450 15.982 19.040 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.149 15.220 19.933 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.126 16.761 21.458 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.706 15.187 21.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 9.489 16.805 21.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.777 15.594 20.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.215 17.119 20.275 1.00 0.00 H new ATOM 372 N ARG A 26 5.481 11.985 16.274 1.00 0.00 N ATOM 373 CA ARG A 26 4.879 10.878 15.540 1.00 0.00 C ATOM 374 C ARG A 26 5.581 10.668 14.202 1.00 0.00 C ATOM 375 O ARG A 26 5.595 9.562 13.663 1.00 0.00 O ATOM 376 CB ARG A 26 3.389 11.140 15.312 1.00 0.00 C ATOM 377 CG ARG A 26 2.613 11.400 16.592 1.00 0.00 C ATOM 378 CD ARG A 26 2.342 10.111 17.351 1.00 0.00 C ATOM 379 NE ARG A 26 3.425 9.780 18.273 1.00 0.00 N ATOM 380 CZ ARG A 26 3.292 8.938 19.292 1.00 0.00 C ATOM 381 NH1 ARG A 26 2.128 8.345 19.518 1.00 0.00 N ATOM 382 NH2 ARG A 26 4.324 8.689 20.087 1.00 0.00 N ATOM 0 H ARG A 26 4.810 12.652 16.656 1.00 0.00 H new ATOM 0 HA ARG A 26 4.994 9.973 16.137 1.00 0.00 H new ATOM 0 HB2 ARG A 26 3.277 11.998 14.649 1.00 0.00 H new ATOM 0 HB3 ARG A 26 2.952 10.282 14.800 1.00 0.00 H new ATOM 0 HG2 ARG A 26 3.175 12.086 17.226 1.00 0.00 H new ATOM 0 HG3 ARG A 26 1.668 11.888 16.353 1.00 0.00 H new ATOM 0 HD2 ARG A 26 1.409 10.207 17.907 1.00 0.00 H new ATOM 0 HD3 ARG A 26 2.208 9.294 16.642 1.00 0.00 H new ATOM 0 HE ARG A 26 4.334 10.220 18.127 1.00 0.00 H new ATOM 0 HH11 ARG A 26 1.332 8.535 18.909 1.00 0.00 H new ATOM 0 HH12 ARG A 26 2.028 7.699 20.301 1.00 0.00 H new ATOM 0 HH21 ARG A 26 5.221 9.144 19.916 1.00 0.00 H new ATOM 0 HH22 ARG A 26 4.221 8.042 20.869 1.00 0.00 H new ATOM 396 N GLY A 27 6.163 11.738 13.670 1.00 0.00 N ATOM 397 CA GLY A 27 6.858 11.650 12.399 1.00 0.00 C ATOM 398 C GLY A 27 5.945 11.221 11.267 1.00 0.00 C ATOM 399 O GLY A 27 5.483 12.051 10.483 1.00 0.00 O ATOM 0 H GLY A 27 6.166 12.665 14.096 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.297 12.619 12.160 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.681 10.941 12.487 1.00 0.00 H new ATOM 403 N PHE A 28 5.684 9.921 11.180 1.00 0.00 N ATOM 404 CA PHE A 28 4.823 9.382 10.134 1.00 0.00 C ATOM 405 C PHE A 28 3.582 8.728 10.735 1.00 0.00 C ATOM 406 O PHE A 28 2.767 8.144 10.022 1.00 0.00 O ATOM 407 CB PHE A 28 5.589 8.365 9.286 1.00 0.00 C ATOM 408 CG PHE A 28 6.927 8.862 8.817 1.00 0.00 C ATOM 409 CD1 PHE A 28 7.023 10.014 8.053 1.00 0.00 C ATOM 410 CD2 PHE A 28 8.087 8.178 9.141 1.00 0.00 C ATOM 411 CE1 PHE A 28 8.253 10.473 7.620 1.00 0.00 C ATOM 412 CE2 PHE A 28 9.320 8.633 8.711 1.00 0.00 C ATOM 413 CZ PHE A 28 9.402 9.782 7.950 1.00 0.00 C ATOM 0 H PHE A 28 6.057 9.221 11.822 1.00 0.00 H new ATOM 0 HA PHE A 28 4.505 10.208 9.498 1.00 0.00 H new ATOM 0 HB2 PHE A 28 5.732 7.454 9.867 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.985 8.099 8.419 1.00 0.00 H new ATOM 0 HD1 PHE A 28 6.128 10.559 7.793 1.00 0.00 H new ATOM 0 HD2 PHE A 28 8.028 7.279 9.736 1.00 0.00 H new ATOM 0 HE1 PHE A 28 8.315 11.371 7.024 1.00 0.00 H new ATOM 0 HE2 PHE A 28 10.217 8.091 8.970 1.00 0.00 H new ATOM 0 HZ PHE A 28 10.364 10.140 7.613 1.00 0.00 H new ATOM 423 N GLY A 29 3.446 8.830 12.054 1.00 0.00 N ATOM 424 CA GLY A 29 2.304 8.243 12.730 1.00 0.00 C ATOM 425 C GLY A 29 1.852 6.947 12.087 1.00 0.00 C ATOM 426 O GLY A 29 0.664 6.756 11.827 1.00 0.00 O ATOM 0 H GLY A 29 4.107 9.309 12.666 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.559 8.057 13.773 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.478 8.954 12.726 1.00 0.00 H new ATOM 430 N ILE A 30 2.802 6.055 11.827 1.00 0.00 N ATOM 431 CA ILE A 30 2.495 4.771 11.209 1.00 0.00 C ATOM 432 C ILE A 30 3.252 3.638 11.893 1.00 0.00 C ATOM 433 O ILE A 30 4.343 3.839 12.425 1.00 0.00 O ATOM 434 CB ILE A 30 2.840 4.772 9.708 1.00 0.00 C ATOM 435 CG1 ILE A 30 4.196 5.442 9.474 1.00 0.00 C ATOM 436 CG2 ILE A 30 1.751 5.477 8.915 1.00 0.00 C ATOM 437 CD1 ILE A 30 4.938 4.899 8.273 1.00 0.00 C ATOM 0 H ILE A 30 3.790 6.198 12.035 1.00 0.00 H new ATOM 0 HA ILE A 30 1.423 4.612 11.326 1.00 0.00 H new ATOM 0 HB ILE A 30 2.902 3.740 9.364 1.00 0.00 H new ATOM 0 HG12 ILE A 30 4.045 6.514 9.344 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.814 5.313 10.362 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.009 5.470 7.856 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.802 4.960 9.061 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.660 6.507 9.259 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.890 5.419 8.168 1.00 0.00 H new ATOM 0 HD12 ILE A 30 5.120 3.833 8.409 1.00 0.00 H new ATOM 0 HD13 ILE A 30 4.339 5.053 7.375 1.00 0.00 H new ATOM 449 N ALA A 31 2.666 2.445 11.872 1.00 0.00 N ATOM 450 CA ALA A 31 3.286 1.278 12.487 1.00 0.00 C ATOM 451 C ALA A 31 3.195 0.062 11.571 1.00 0.00 C ATOM 452 O ALA A 31 2.182 -0.152 10.905 1.00 0.00 O ATOM 453 CB ALA A 31 2.636 0.980 13.830 1.00 0.00 C ATOM 0 H ALA A 31 1.763 2.262 11.436 1.00 0.00 H new ATOM 0 HA ALA A 31 4.341 1.501 12.649 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.109 0.106 14.277 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.758 1.837 14.492 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.574 0.783 13.684 1.00 0.00 H new ATOM 459 N VAL A 32 4.260 -0.733 11.542 1.00 0.00 N ATOM 460 CA VAL A 32 4.300 -1.928 10.708 1.00 0.00 C ATOM 461 C VAL A 32 4.418 -3.188 11.559 1.00 0.00 C ATOM 462 O VAL A 32 5.096 -3.194 12.586 1.00 0.00 O ATOM 463 CB VAL A 32 5.477 -1.880 9.715 1.00 0.00 C ATOM 464 CG1 VAL A 32 5.223 -0.839 8.636 1.00 0.00 C ATOM 465 CG2 VAL A 32 6.780 -1.595 10.447 1.00 0.00 C ATOM 0 H VAL A 32 5.107 -0.571 12.087 1.00 0.00 H new ATOM 0 HA VAL A 32 3.364 -1.956 10.150 1.00 0.00 H new ATOM 0 HB VAL A 32 5.563 -2.854 9.233 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.065 -0.819 7.944 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.313 -1.093 8.093 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.109 0.142 9.097 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.601 -1.565 9.730 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.708 -0.635 10.957 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.966 -2.381 11.178 1.00 0.00 H new ATOM 475 N SER A 33 3.754 -4.253 11.123 1.00 0.00 N ATOM 476 CA SER A 33 3.781 -5.519 11.846 1.00 0.00 C ATOM 477 C SER A 33 3.985 -6.688 10.887 1.00 0.00 C ATOM 478 O SER A 33 3.615 -6.617 9.716 1.00 0.00 O ATOM 479 CB SER A 33 2.482 -5.710 12.632 1.00 0.00 C ATOM 480 OG SER A 33 2.554 -5.077 13.898 1.00 0.00 O ATOM 0 H SER A 33 3.191 -4.265 10.273 1.00 0.00 H new ATOM 0 HA SER A 33 4.618 -5.493 12.543 1.00 0.00 H new ATOM 0 HB2 SER A 33 1.646 -5.301 12.064 1.00 0.00 H new ATOM 0 HB3 SER A 33 2.287 -6.774 12.765 1.00 0.00 H new ATOM 0 HG SER A 33 1.711 -5.212 14.380 1.00 0.00 H new ATOM 486 N GLY A 34 4.577 -7.766 11.395 1.00 0.00 N ATOM 487 CA GLY A 34 4.820 -8.935 10.571 1.00 0.00 C ATOM 488 C GLY A 34 6.283 -9.333 10.546 1.00 0.00 C ATOM 489 O GLY A 34 6.981 -9.219 11.553 1.00 0.00 O ATOM 0 H GLY A 34 4.892 -7.850 12.362 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.226 -9.769 10.945 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.484 -8.735 9.554 1.00 0.00 H new ATOM 493 N GLY A 35 6.748 -9.802 9.392 1.00 0.00 N ATOM 494 CA GLY A 35 8.134 -10.212 9.263 1.00 0.00 C ATOM 495 C GLY A 35 8.282 -11.533 8.534 1.00 0.00 C ATOM 496 O GLY A 35 7.492 -12.455 8.741 1.00 0.00 O ATOM 0 H GLY A 35 6.190 -9.905 8.545 1.00 0.00 H new ATOM 0 HA2 GLY A 35 8.689 -9.441 8.729 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.579 -10.296 10.255 1.00 0.00 H new ATOM 500 N ARG A 36 9.294 -11.625 7.679 1.00 0.00 N ATOM 501 CA ARG A 36 9.541 -12.842 6.915 1.00 0.00 C ATOM 502 C ARG A 36 9.926 -13.995 7.838 1.00 0.00 C ATOM 503 O ARG A 36 10.024 -15.143 7.405 1.00 0.00 O ATOM 504 CB ARG A 36 10.648 -12.608 5.885 1.00 0.00 C ATOM 505 CG ARG A 36 12.026 -12.432 6.501 1.00 0.00 C ATOM 506 CD ARG A 36 13.125 -12.599 5.464 1.00 0.00 C ATOM 507 NE ARG A 36 14.355 -13.126 6.050 1.00 0.00 N ATOM 508 CZ ARG A 36 15.437 -13.427 5.340 1.00 0.00 C ATOM 509 NH1 ARG A 36 15.441 -13.254 4.025 1.00 0.00 N ATOM 510 NH2 ARG A 36 16.518 -13.902 5.945 1.00 0.00 N ATOM 0 H ARG A 36 9.957 -10.871 7.497 1.00 0.00 H new ATOM 0 HA ARG A 36 8.620 -13.107 6.395 1.00 0.00 H new ATOM 0 HB2 ARG A 36 10.673 -13.450 5.194 1.00 0.00 H new ATOM 0 HB3 ARG A 36 10.406 -11.722 5.299 1.00 0.00 H new ATOM 0 HG2 ARG A 36 12.099 -11.444 6.955 1.00 0.00 H new ATOM 0 HG3 ARG A 36 12.164 -13.160 7.300 1.00 0.00 H new ATOM 0 HD2 ARG A 36 12.782 -13.270 4.677 1.00 0.00 H new ATOM 0 HD3 ARG A 36 13.330 -11.637 4.995 1.00 0.00 H new ATOM 0 HE ARG A 36 14.385 -13.271 7.059 1.00 0.00 H new ATOM 0 HH11 ARG A 36 14.612 -12.889 3.556 1.00 0.00 H new ATOM 0 HH12 ARG A 36 16.273 -13.486 3.483 1.00 0.00 H new ATOM 0 HH21 ARG A 36 16.519 -14.036 6.956 1.00 0.00 H new ATOM 0 HH22 ARG A 36 17.348 -14.133 5.399 1.00 0.00 H new ATOM 524 N ASP A 37 10.143 -13.680 9.110 1.00 0.00 N ATOM 525 CA ASP A 37 10.517 -14.688 10.094 1.00 0.00 C ATOM 526 C ASP A 37 9.511 -14.728 11.240 1.00 0.00 C ATOM 527 O ASP A 37 9.321 -15.764 11.876 1.00 0.00 O ATOM 528 CB ASP A 37 11.918 -14.406 10.639 1.00 0.00 C ATOM 529 CG ASP A 37 12.593 -15.653 11.176 1.00 0.00 C ATOM 530 OD1 ASP A 37 11.978 -16.347 12.013 1.00 0.00 O ATOM 531 OD2 ASP A 37 13.735 -15.935 10.760 1.00 0.00 O ATOM 0 H ASP A 37 10.066 -12.734 9.484 1.00 0.00 H new ATOM 0 HA ASP A 37 10.517 -15.659 9.600 1.00 0.00 H new ATOM 0 HB2 ASP A 37 12.532 -13.976 9.848 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.853 -13.661 11.432 1.00 0.00 H new ATOM 536 N ASN A 38 8.870 -13.593 11.498 1.00 0.00 N ATOM 537 CA ASN A 38 7.884 -13.498 12.569 1.00 0.00 C ATOM 538 C ASN A 38 6.628 -12.777 12.089 1.00 0.00 C ATOM 539 O ASN A 38 6.238 -11.737 12.621 1.00 0.00 O ATOM 540 CB ASN A 38 8.478 -12.765 13.773 1.00 0.00 C ATOM 541 CG ASN A 38 9.705 -13.464 14.328 1.00 0.00 C ATOM 542 OD1 ASN A 38 9.831 -14.685 14.237 1.00 0.00 O ATOM 543 ND2 ASN A 38 10.615 -12.689 14.907 1.00 0.00 N ATOM 0 H ASN A 38 9.015 -12.726 10.980 1.00 0.00 H new ATOM 0 HA ASN A 38 7.609 -14.510 12.868 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.743 -11.749 13.482 1.00 0.00 H new ATOM 0 HB3 ASN A 38 7.723 -12.686 14.555 1.00 0.00 H new ATOM 0 HD21 ASN A 38 11.461 -13.102 15.299 1.00 0.00 H new ATOM 0 HD22 ASN A 38 10.468 -11.681 14.959 1.00 0.00 H new ATOM 550 N PRO A 39 5.978 -13.342 11.061 1.00 0.00 N ATOM 551 CA PRO A 39 4.756 -12.770 10.488 1.00 0.00 C ATOM 552 C PRO A 39 3.564 -12.886 11.432 1.00 0.00 C ATOM 553 O PRO A 39 2.741 -13.792 11.301 1.00 0.00 O ATOM 554 CB PRO A 39 4.526 -13.614 9.231 1.00 0.00 C ATOM 555 CG PRO A 39 5.199 -14.911 9.517 1.00 0.00 C ATOM 556 CD PRO A 39 6.386 -14.581 10.379 1.00 0.00 C ATOM 0 HA PRO A 39 4.859 -11.703 10.290 1.00 0.00 H new ATOM 0 HB2 PRO A 39 3.463 -13.754 9.037 1.00 0.00 H new ATOM 0 HB3 PRO A 39 4.950 -13.134 8.349 1.00 0.00 H new ATOM 0 HG2 PRO A 39 4.524 -15.596 10.029 1.00 0.00 H new ATOM 0 HG3 PRO A 39 5.511 -15.401 8.594 1.00 0.00 H new ATOM 0 HD2 PRO A 39 6.601 -15.379 11.090 1.00 0.00 H new ATOM 0 HD3 PRO A 39 7.287 -14.434 9.783 1.00 0.00 H new ATOM 564 N HIS A 40 3.477 -11.962 12.384 1.00 0.00 N ATOM 565 CA HIS A 40 2.384 -11.960 13.350 1.00 0.00 C ATOM 566 C HIS A 40 1.045 -12.191 12.656 1.00 0.00 C ATOM 567 O HIS A 40 0.197 -12.934 13.152 1.00 0.00 O ATOM 568 CB HIS A 40 2.353 -10.636 14.114 1.00 0.00 C ATOM 569 CG HIS A 40 1.011 -10.309 14.692 1.00 0.00 C ATOM 570 ND1 HIS A 40 0.061 -11.267 14.978 1.00 0.00 N ATOM 571 CD2 HIS A 40 0.462 -9.121 15.038 1.00 0.00 C ATOM 572 CE1 HIS A 40 -1.015 -10.682 15.475 1.00 0.00 C ATOM 573 NE2 HIS A 40 -0.797 -9.380 15.522 1.00 0.00 N ATOM 0 H HIS A 40 4.150 -11.205 12.507 1.00 0.00 H new ATOM 0 HA HIS A 40 2.554 -12.774 14.055 1.00 0.00 H new ATOM 0 HB2 HIS A 40 3.087 -10.673 14.919 1.00 0.00 H new ATOM 0 HB3 HIS A 40 2.656 -9.832 13.443 1.00 0.00 H new ATOM 0 HD1 HIS A 40 0.171 -12.270 14.829 1.00 0.00 H new ATOM 0 HD2 HIS A 40 0.927 -8.150 14.950 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -1.919 -11.183 15.789 1.00 0.00 H new ATOM 582 N PHE A 41 0.861 -11.551 11.506 1.00 0.00 N ATOM 583 CA PHE A 41 -0.375 -11.686 10.745 1.00 0.00 C ATOM 584 C PHE A 41 -1.019 -13.047 10.991 1.00 0.00 C ATOM 585 O PHE A 41 -0.652 -14.041 10.364 1.00 0.00 O ATOM 586 CB PHE A 41 -0.102 -11.501 9.251 1.00 0.00 C ATOM 587 CG PHE A 41 -1.247 -10.878 8.505 1.00 0.00 C ATOM 588 CD1 PHE A 41 -2.556 -11.207 8.818 1.00 0.00 C ATOM 589 CD2 PHE A 41 -1.015 -9.965 7.489 1.00 0.00 C ATOM 590 CE1 PHE A 41 -3.612 -10.636 8.134 1.00 0.00 C ATOM 591 CE2 PHE A 41 -2.067 -9.390 6.802 1.00 0.00 C ATOM 592 CZ PHE A 41 -3.367 -9.727 7.123 1.00 0.00 C ATOM 0 H PHE A 41 1.553 -10.934 11.081 1.00 0.00 H new ATOM 0 HA PHE A 41 -1.065 -10.911 11.080 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.784 -10.879 9.126 1.00 0.00 H new ATOM 0 HB3 PHE A 41 0.125 -12.471 8.808 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -2.753 -11.918 9.606 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.000 -9.700 7.231 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -4.628 -10.900 8.389 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -1.873 -8.677 6.014 1.00 0.00 H new ATOM 0 HZ PHE A 41 -4.190 -9.281 6.585 1.00 0.00 H new ATOM 602 N GLU A 42 -1.981 -13.083 11.908 1.00 0.00 N ATOM 603 CA GLU A 42 -2.675 -14.323 12.238 1.00 0.00 C ATOM 604 C GLU A 42 -2.761 -15.238 11.020 1.00 0.00 C ATOM 605 O GLU A 42 -2.502 -16.437 11.112 1.00 0.00 O ATOM 606 CB GLU A 42 -4.080 -14.022 12.764 1.00 0.00 C ATOM 607 CG GLU A 42 -4.565 -15.014 13.807 1.00 0.00 C ATOM 608 CD GLU A 42 -3.486 -15.382 14.808 1.00 0.00 C ATOM 609 OE1 GLU A 42 -2.774 -14.469 15.275 1.00 0.00 O ATOM 610 OE2 GLU A 42 -3.356 -16.583 15.124 1.00 0.00 O ATOM 0 H GLU A 42 -2.297 -12.269 12.435 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.106 -14.833 13.015 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.091 -13.021 13.195 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.779 -14.017 11.927 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.418 -14.590 14.337 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.916 -15.917 13.308 1.00 0.00 H new ATOM 617 N ASN A 43 -3.129 -14.663 9.880 1.00 0.00 N ATOM 618 CA ASN A 43 -3.251 -15.427 8.643 1.00 0.00 C ATOM 619 C ASN A 43 -1.885 -15.902 8.159 1.00 0.00 C ATOM 620 O ASN A 43 -1.651 -17.100 8.004 1.00 0.00 O ATOM 621 CB ASN A 43 -3.922 -14.580 7.560 1.00 0.00 C ATOM 622 CG ASN A 43 -4.680 -15.424 6.553 1.00 0.00 C ATOM 623 OD1 ASN A 43 -3.973 -16.332 5.891 1.00 0.00 O flip ATOM 624 ND2 ASN A 43 -5.887 -15.261 6.373 1.00 0.00 N flip ATOM 0 H ASN A 43 -3.348 -13.671 9.787 1.00 0.00 H new ATOM 0 HA ASN A 43 -3.869 -16.302 8.846 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -4.608 -13.874 8.028 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -3.165 -13.992 7.041 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.391 -14.551 6.904 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -6.383 -15.836 5.692 1.00 0.00 H new ATOM 631 N GLY A 44 -0.984 -14.952 7.924 1.00 0.00 N ATOM 632 CA GLY A 44 0.349 -15.293 7.461 1.00 0.00 C ATOM 633 C GLY A 44 0.724 -14.563 6.186 1.00 0.00 C ATOM 634 O GLY A 44 0.705 -15.144 5.102 1.00 0.00 O ATOM 0 H GLY A 44 -1.153 -13.954 8.046 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.073 -15.053 8.240 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.407 -16.368 7.291 1.00 0.00 H new ATOM 638 N GLU A 45 1.065 -13.284 6.317 1.00 0.00 N ATOM 639 CA GLU A 45 1.443 -12.474 5.166 1.00 0.00 C ATOM 640 C GLU A 45 2.710 -11.675 5.456 1.00 0.00 C ATOM 641 O GLU A 45 2.650 -10.489 5.782 1.00 0.00 O ATOM 642 CB GLU A 45 0.305 -11.525 4.786 1.00 0.00 C ATOM 643 CG GLU A 45 0.599 -10.683 3.556 1.00 0.00 C ATOM 644 CD GLU A 45 -0.658 -10.133 2.910 1.00 0.00 C ATOM 645 OE1 GLU A 45 -1.751 -10.670 3.186 1.00 0.00 O ATOM 646 OE2 GLU A 45 -0.549 -9.164 2.129 1.00 0.00 O ATOM 0 H GLU A 45 1.087 -12.788 7.208 1.00 0.00 H new ATOM 0 HA GLU A 45 1.640 -13.146 4.331 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.599 -12.108 4.609 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.098 -10.864 5.628 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.251 -9.855 3.835 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.142 -11.286 2.829 1.00 0.00 H new ATOM 653 N THR A 46 3.859 -12.333 5.335 1.00 0.00 N ATOM 654 CA THR A 46 5.141 -11.687 5.585 1.00 0.00 C ATOM 655 C THR A 46 5.147 -10.256 5.059 1.00 0.00 C ATOM 656 O THR A 46 5.708 -9.357 5.685 1.00 0.00 O ATOM 657 CB THR A 46 6.300 -12.466 4.935 1.00 0.00 C ATOM 658 OG1 THR A 46 6.179 -12.423 3.509 1.00 0.00 O ATOM 659 CG2 THR A 46 6.310 -13.913 5.404 1.00 0.00 C ATOM 0 H THR A 46 3.927 -13.314 5.065 1.00 0.00 H new ATOM 0 HA THR A 46 5.283 -11.675 6.666 1.00 0.00 H new ATOM 0 HB THR A 46 7.237 -11.997 5.235 1.00 0.00 H new ATOM 0 HG1 THR A 46 6.920 -12.919 3.103 1.00 0.00 H new ATOM 0 HG21 THR A 46 7.137 -14.443 4.932 1.00 0.00 H new ATOM 0 HG22 THR A 46 6.431 -13.944 6.487 1.00 0.00 H new ATOM 0 HG23 THR A 46 5.369 -14.391 5.130 1.00 0.00 H new ATOM 667 N SER A 47 4.519 -10.052 3.906 1.00 0.00 N ATOM 668 CA SER A 47 4.455 -8.730 3.294 1.00 0.00 C ATOM 669 C SER A 47 4.084 -7.670 4.327 1.00 0.00 C ATOM 670 O SER A 47 2.932 -7.581 4.753 1.00 0.00 O ATOM 671 CB SER A 47 3.439 -8.722 2.151 1.00 0.00 C ATOM 672 OG SER A 47 3.950 -9.388 1.009 1.00 0.00 O ATOM 0 H SER A 47 4.047 -10.785 3.377 1.00 0.00 H new ATOM 0 HA SER A 47 5.441 -8.494 2.895 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.518 -9.206 2.476 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.185 -7.694 1.893 1.00 0.00 H new ATOM 0 HG SER A 47 3.281 -9.370 0.293 1.00 0.00 H new ATOM 678 N ILE A 48 5.067 -6.871 4.725 1.00 0.00 N ATOM 679 CA ILE A 48 4.845 -5.817 5.707 1.00 0.00 C ATOM 680 C ILE A 48 3.527 -5.095 5.449 1.00 0.00 C ATOM 681 O ILE A 48 3.131 -4.893 4.300 1.00 0.00 O ATOM 682 CB ILE A 48 5.991 -4.788 5.698 1.00 0.00 C ATOM 683 CG1 ILE A 48 7.330 -5.482 5.952 1.00 0.00 C ATOM 684 CG2 ILE A 48 5.741 -3.709 6.742 1.00 0.00 C ATOM 685 CD1 ILE A 48 7.301 -6.445 7.118 1.00 0.00 C ATOM 0 H ILE A 48 6.026 -6.933 4.383 1.00 0.00 H new ATOM 0 HA ILE A 48 4.808 -6.299 6.684 1.00 0.00 H new ATOM 0 HB ILE A 48 6.029 -4.315 4.716 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.626 -6.022 5.053 1.00 0.00 H new ATOM 0 HG13 ILE A 48 8.093 -4.725 6.135 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.559 -2.989 6.724 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.804 -3.199 6.521 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.681 -4.166 7.730 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.284 -6.900 7.239 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.036 -5.907 8.028 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.562 -7.224 6.929 1.00 0.00 H new ATOM 697 N VAL A 49 2.851 -4.705 6.525 1.00 0.00 N ATOM 698 CA VAL A 49 1.578 -4.002 6.416 1.00 0.00 C ATOM 699 C VAL A 49 1.399 -3.008 7.558 1.00 0.00 C ATOM 700 O VAL A 49 1.849 -3.248 8.679 1.00 0.00 O ATOM 701 CB VAL A 49 0.392 -4.985 6.416 1.00 0.00 C ATOM 702 CG1 VAL A 49 0.018 -5.370 4.992 1.00 0.00 C ATOM 703 CG2 VAL A 49 0.723 -6.219 7.241 1.00 0.00 C ATOM 0 H VAL A 49 3.164 -4.864 7.483 1.00 0.00 H new ATOM 0 HA VAL A 49 1.595 -3.463 5.468 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.467 -4.492 6.871 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.822 -6.065 5.012 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.264 -4.476 4.435 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.871 -5.845 4.508 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.126 -6.903 7.230 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.595 -6.717 6.817 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.937 -5.923 8.268 1.00 0.00 H new ATOM 713 N ILE A 50 0.741 -1.892 7.265 1.00 0.00 N ATOM 714 CA ILE A 50 0.501 -0.861 8.268 1.00 0.00 C ATOM 715 C ILE A 50 -0.679 -1.228 9.161 1.00 0.00 C ATOM 716 O ILE A 50 -1.836 -1.120 8.754 1.00 0.00 O ATOM 717 CB ILE A 50 0.232 0.507 7.616 1.00 0.00 C ATOM 718 CG1 ILE A 50 1.475 0.994 6.868 1.00 0.00 C ATOM 719 CG2 ILE A 50 -0.190 1.522 8.668 1.00 0.00 C ATOM 720 CD1 ILE A 50 2.528 1.594 7.772 1.00 0.00 C ATOM 0 H ILE A 50 0.364 -1.678 6.342 1.00 0.00 H new ATOM 0 HA ILE A 50 1.405 -0.793 8.874 1.00 0.00 H new ATOM 0 HB ILE A 50 -0.581 0.396 6.899 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.911 0.158 6.321 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.176 1.737 6.129 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.377 2.484 8.191 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.100 1.179 9.161 1.00 0.00 H new ATOM 0 HG23 ILE A 50 0.604 1.631 9.407 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.380 1.917 7.174 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.109 2.451 8.300 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.855 0.847 8.495 1.00 0.00 H new ATOM 732 N SER A 51 -0.379 -1.659 10.382 1.00 0.00 N ATOM 733 CA SER A 51 -1.415 -2.044 11.334 1.00 0.00 C ATOM 734 C SER A 51 -1.746 -0.887 12.272 1.00 0.00 C ATOM 735 O SER A 51 -2.327 -1.086 13.339 1.00 0.00 O ATOM 736 CB SER A 51 -0.966 -3.261 12.145 1.00 0.00 C ATOM 737 OG SER A 51 -2.064 -3.865 12.806 1.00 0.00 O ATOM 0 H SER A 51 0.573 -1.750 10.736 1.00 0.00 H new ATOM 0 HA SER A 51 -2.313 -2.303 10.772 1.00 0.00 H new ATOM 0 HB2 SER A 51 -0.490 -3.987 11.485 1.00 0.00 H new ATOM 0 HB3 SER A 51 -0.218 -2.958 12.878 1.00 0.00 H new ATOM 0 HG SER A 51 -2.631 -3.170 13.200 1.00 0.00 H new ATOM 743 N ASP A 52 -1.374 0.321 11.865 1.00 0.00 N ATOM 744 CA ASP A 52 -1.632 1.511 12.668 1.00 0.00 C ATOM 745 C ASP A 52 -1.470 2.777 11.831 1.00 0.00 C ATOM 746 O ASP A 52 -0.424 3.002 11.222 1.00 0.00 O ATOM 747 CB ASP A 52 -0.688 1.556 13.870 1.00 0.00 C ATOM 748 CG ASP A 52 -1.110 2.585 14.900 1.00 0.00 C ATOM 749 OD1 ASP A 52 -2.277 2.538 15.342 1.00 0.00 O ATOM 750 OD2 ASP A 52 -0.274 3.439 15.264 1.00 0.00 O ATOM 0 H ASP A 52 -0.893 0.503 10.984 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.661 1.462 13.025 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -0.653 0.572 14.337 1.00 0.00 H new ATOM 0 HB3 ASP A 52 0.322 1.783 13.527 1.00 0.00 H new ATOM 755 N VAL A 53 -2.514 3.600 11.805 1.00 0.00 N ATOM 756 CA VAL A 53 -2.488 4.843 11.043 1.00 0.00 C ATOM 757 C VAL A 53 -3.031 6.004 11.868 1.00 0.00 C ATOM 758 O VAL A 53 -4.238 6.244 11.904 1.00 0.00 O ATOM 759 CB VAL A 53 -3.308 4.722 9.745 1.00 0.00 C ATOM 760 CG1 VAL A 53 -3.436 6.077 9.066 1.00 0.00 C ATOM 761 CG2 VAL A 53 -2.675 3.705 8.807 1.00 0.00 C ATOM 0 H VAL A 53 -3.388 3.428 12.303 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.446 5.038 10.789 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.309 4.373 10.000 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.018 5.972 8.151 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.938 6.774 9.737 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.444 6.457 8.823 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.268 3.633 7.895 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.662 4.021 8.557 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.641 2.731 9.296 1.00 0.00 H new ATOM 771 N LEU A 54 -2.131 6.724 12.529 1.00 0.00 N ATOM 772 CA LEU A 54 -2.519 7.863 13.354 1.00 0.00 C ATOM 773 C LEU A 54 -3.664 8.637 12.710 1.00 0.00 C ATOM 774 O LEU A 54 -3.486 9.350 11.722 1.00 0.00 O ATOM 775 CB LEU A 54 -1.322 8.790 13.574 1.00 0.00 C ATOM 776 CG LEU A 54 -1.220 9.439 14.955 1.00 0.00 C ATOM 777 CD1 LEU A 54 -0.020 10.370 15.019 1.00 0.00 C ATOM 778 CD2 LEU A 54 -2.501 10.191 15.286 1.00 0.00 C ATOM 0 H LEU A 54 -1.128 6.539 12.510 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.859 7.483 14.318 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.410 8.221 13.394 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.358 9.581 12.825 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.083 8.652 15.697 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.037 10.823 16.009 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.891 9.803 14.826 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.126 11.152 14.268 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.411 10.647 16.272 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.669 10.969 14.541 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.342 9.497 15.282 1.00 0.00 H new ATOM 790 N PRO A 55 -4.869 8.497 13.282 1.00 0.00 N ATOM 791 CA PRO A 55 -6.067 9.177 12.782 1.00 0.00 C ATOM 792 C PRO A 55 -6.021 10.683 13.021 1.00 0.00 C ATOM 793 O PRO A 55 -6.983 11.396 12.740 1.00 0.00 O ATOM 794 CB PRO A 55 -7.200 8.542 13.592 1.00 0.00 C ATOM 795 CG PRO A 55 -6.550 8.070 14.846 1.00 0.00 C ATOM 796 CD PRO A 55 -5.155 7.663 14.462 1.00 0.00 C ATOM 0 HA PRO A 55 -6.180 9.063 11.704 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -7.989 9.264 13.803 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -7.660 7.716 13.049 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -6.533 8.859 15.598 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.097 7.231 15.277 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -4.446 7.850 15.268 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -5.097 6.600 14.227 1.00 0.00 H new ATOM 804 N GLY A 56 -4.894 11.161 13.541 1.00 0.00 N ATOM 805 CA GLY A 56 -4.744 12.579 13.808 1.00 0.00 C ATOM 806 C GLY A 56 -3.371 13.098 13.428 1.00 0.00 C ATOM 807 O GLY A 56 -3.010 14.224 13.767 1.00 0.00 O ATOM 0 H GLY A 56 -4.083 10.591 13.782 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -5.504 13.132 13.256 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -4.920 12.767 14.867 1.00 0.00 H new ATOM 811 N GLY A 57 -2.602 12.273 12.723 1.00 0.00 N ATOM 812 CA GLY A 57 -1.269 12.672 12.311 1.00 0.00 C ATOM 813 C GLY A 57 -1.161 12.870 10.812 1.00 0.00 C ATOM 814 O GLY A 57 -2.158 13.061 10.116 1.00 0.00 O ATOM 0 H GLY A 57 -2.879 11.336 12.430 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.997 13.598 12.817 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.552 11.914 12.627 1.00 0.00 H new ATOM 818 N PRO A 58 0.075 12.826 10.293 1.00 0.00 N ATOM 819 CA PRO A 58 0.339 13.000 8.861 1.00 0.00 C ATOM 820 C PRO A 58 -0.157 11.821 8.032 1.00 0.00 C ATOM 821 O PRO A 58 -0.523 11.979 6.868 1.00 0.00 O ATOM 822 CB PRO A 58 1.865 13.098 8.792 1.00 0.00 C ATOM 823 CG PRO A 58 2.347 12.370 9.999 1.00 0.00 C ATOM 824 CD PRO A 58 1.310 12.601 11.063 1.00 0.00 C ATOM 0 HA PRO A 58 -0.177 13.870 8.454 1.00 0.00 H new ATOM 0 HB2 PRO A 58 2.250 12.646 7.878 1.00 0.00 H new ATOM 0 HB3 PRO A 58 2.196 14.137 8.798 1.00 0.00 H new ATOM 0 HG2 PRO A 58 2.464 11.306 9.792 1.00 0.00 H new ATOM 0 HG3 PRO A 58 3.321 12.742 10.316 1.00 0.00 H new ATOM 0 HD2 PRO A 58 1.218 11.742 11.728 1.00 0.00 H new ATOM 0 HD3 PRO A 58 1.558 13.461 11.686 1.00 0.00 H new ATOM 832 N ALA A 59 -0.167 10.639 8.640 1.00 0.00 N ATOM 833 CA ALA A 59 -0.620 9.433 7.958 1.00 0.00 C ATOM 834 C ALA A 59 -2.125 9.475 7.711 1.00 0.00 C ATOM 835 O ALA A 59 -2.598 9.098 6.639 1.00 0.00 O ATOM 836 CB ALA A 59 -0.250 8.198 8.766 1.00 0.00 C ATOM 0 H ALA A 59 0.133 10.491 9.603 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.120 9.383 6.991 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.595 7.305 8.244 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.832 8.153 8.886 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.722 8.250 9.747 1.00 0.00 H new ATOM 842 N ASP A 60 -2.870 9.935 8.710 1.00 0.00 N ATOM 843 CA ASP A 60 -4.322 10.026 8.601 1.00 0.00 C ATOM 844 C ASP A 60 -4.729 10.642 7.266 1.00 0.00 C ATOM 845 O ASP A 60 -4.815 11.862 7.134 1.00 0.00 O ATOM 846 CB ASP A 60 -4.890 10.856 9.754 1.00 0.00 C ATOM 847 CG ASP A 60 -6.135 11.623 9.356 1.00 0.00 C ATOM 848 OD1 ASP A 60 -6.996 11.040 8.666 1.00 0.00 O ATOM 849 OD2 ASP A 60 -6.248 12.808 9.734 1.00 0.00 O ATOM 0 H ASP A 60 -2.493 10.250 9.604 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.730 9.017 8.654 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -5.124 10.198 10.591 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.131 11.556 10.102 1.00 0.00 H new ATOM 854 N GLY A 61 -4.977 9.789 6.277 1.00 0.00 N ATOM 855 CA GLY A 61 -5.371 10.268 4.965 1.00 0.00 C ATOM 856 C GLY A 61 -4.431 9.800 3.871 1.00 0.00 C ATOM 857 O GLY A 61 -4.872 9.295 2.838 1.00 0.00 O ATOM 0 H GLY A 61 -4.912 8.775 6.361 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.381 9.923 4.744 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.401 11.358 4.973 1.00 0.00 H new ATOM 861 N LEU A 62 -3.133 9.970 4.096 1.00 0.00 N ATOM 862 CA LEU A 62 -2.128 9.563 3.120 1.00 0.00 C ATOM 863 C LEU A 62 -2.107 8.046 2.960 1.00 0.00 C ATOM 864 O LEU A 62 -2.238 7.527 1.851 1.00 0.00 O ATOM 865 CB LEU A 62 -0.746 10.062 3.545 1.00 0.00 C ATOM 866 CG LEU A 62 -0.538 11.576 3.510 1.00 0.00 C ATOM 867 CD1 LEU A 62 0.808 11.945 4.113 1.00 0.00 C ATOM 868 CD2 LEU A 62 -0.647 12.097 2.084 1.00 0.00 C ATOM 0 H LEU A 62 -2.752 10.387 4.945 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.389 10.007 2.159 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.552 9.712 4.559 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.000 9.598 2.899 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.320 12.044 4.107 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.938 13.027 4.079 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.848 11.607 5.149 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.605 11.466 3.544 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.496 13.177 2.079 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.113 11.621 1.464 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.636 11.867 1.687 1.00 0.00 H new ATOM 880 N LEU A 63 -1.944 7.342 4.074 1.00 0.00 N ATOM 881 CA LEU A 63 -1.908 5.883 4.059 1.00 0.00 C ATOM 882 C LEU A 63 -3.101 5.301 4.810 1.00 0.00 C ATOM 883 O LEU A 63 -3.894 6.036 5.399 1.00 0.00 O ATOM 884 CB LEU A 63 -0.605 5.378 4.680 1.00 0.00 C ATOM 885 CG LEU A 63 0.611 5.345 3.753 1.00 0.00 C ATOM 886 CD1 LEU A 63 1.879 5.068 4.546 1.00 0.00 C ATOM 887 CD2 LEU A 63 0.423 4.301 2.663 1.00 0.00 C ATOM 0 H LEU A 63 -1.835 7.757 4.999 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.960 5.554 3.021 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.366 6.007 5.537 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.774 4.371 5.061 1.00 0.00 H new ATOM 0 HG LEU A 63 0.709 6.322 3.279 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.734 5.048 3.870 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.022 5.853 5.289 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.791 4.105 5.048 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.298 4.292 2.013 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.299 3.318 3.118 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.463 4.544 2.076 1.00 0.00 H new ATOM 899 N GLN A 64 -3.221 3.978 4.786 1.00 0.00 N ATOM 900 CA GLN A 64 -4.317 3.298 5.467 1.00 0.00 C ATOM 901 C GLN A 64 -3.839 1.996 6.102 1.00 0.00 C ATOM 902 O GLN A 64 -2.713 1.558 5.868 1.00 0.00 O ATOM 903 CB GLN A 64 -5.455 3.013 4.486 1.00 0.00 C ATOM 904 CG GLN A 64 -5.169 1.856 3.541 1.00 0.00 C ATOM 905 CD GLN A 64 -6.431 1.264 2.945 1.00 0.00 C ATOM 906 OE1 GLN A 64 -7.530 1.779 3.153 1.00 0.00 O ATOM 907 NE2 GLN A 64 -6.279 0.177 2.198 1.00 0.00 N ATOM 0 H GLN A 64 -2.573 3.355 4.303 1.00 0.00 H new ATOM 0 HA GLN A 64 -4.683 3.953 6.257 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.363 2.796 5.049 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.651 3.910 3.899 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -4.519 2.201 2.737 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -4.626 1.078 4.078 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -5.349 -0.216 2.052 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -7.092 -0.265 1.770 1.00 0.00 H new ATOM 916 N GLU A 65 -4.702 1.384 6.907 1.00 0.00 N ATOM 917 CA GLU A 65 -4.367 0.133 7.576 1.00 0.00 C ATOM 918 C GLU A 65 -4.399 -1.035 6.595 1.00 0.00 C ATOM 919 O GLU A 65 -5.193 -1.048 5.655 1.00 0.00 O ATOM 920 CB GLU A 65 -5.336 -0.129 8.731 1.00 0.00 C ATOM 921 CG GLU A 65 -4.702 -0.855 9.905 1.00 0.00 C ATOM 922 CD GLU A 65 -5.729 -1.410 10.872 1.00 0.00 C ATOM 923 OE1 GLU A 65 -6.824 -0.819 10.979 1.00 0.00 O ATOM 924 OE2 GLU A 65 -5.438 -2.436 11.522 1.00 0.00 O ATOM 0 H GLU A 65 -5.638 1.734 7.111 1.00 0.00 H new ATOM 0 HA GLU A 65 -3.356 0.223 7.973 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -5.740 0.822 9.078 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.177 -0.717 8.362 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.083 -1.670 9.531 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -4.041 -0.170 10.436 1.00 0.00 H new ATOM 931 N ASN A 66 -3.529 -2.014 6.821 1.00 0.00 N ATOM 932 CA ASN A 66 -3.457 -3.187 5.956 1.00 0.00 C ATOM 933 C ASN A 66 -2.929 -2.812 4.575 1.00 0.00 C ATOM 934 O ASN A 66 -3.326 -3.398 3.567 1.00 0.00 O ATOM 935 CB ASN A 66 -4.835 -3.838 5.829 1.00 0.00 C ATOM 936 CG ASN A 66 -5.481 -4.094 7.177 1.00 0.00 C ATOM 937 OD1 ASN A 66 -5.065 -4.985 7.917 1.00 0.00 O ATOM 938 ND2 ASN A 66 -6.503 -3.311 7.501 1.00 0.00 N ATOM 0 H ASN A 66 -2.865 -2.019 7.595 1.00 0.00 H new ATOM 0 HA ASN A 66 -2.767 -3.900 6.408 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -5.484 -3.195 5.235 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -4.740 -4.781 5.290 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -6.978 -3.436 8.395 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -6.814 -2.585 6.856 1.00 0.00 H new ATOM 945 N ASP A 67 -2.031 -1.834 4.536 1.00 0.00 N ATOM 946 CA ASP A 67 -1.447 -1.382 3.279 1.00 0.00 C ATOM 947 C ASP A 67 -0.203 -2.195 2.934 1.00 0.00 C ATOM 948 O ASP A 67 0.880 -1.945 3.464 1.00 0.00 O ATOM 949 CB ASP A 67 -1.094 0.104 3.361 1.00 0.00 C ATOM 950 CG ASP A 67 -2.232 0.996 2.906 1.00 0.00 C ATOM 951 OD1 ASP A 67 -3.244 0.459 2.407 1.00 0.00 O ATOM 952 OD2 ASP A 67 -2.113 2.230 3.051 1.00 0.00 O ATOM 0 H ASP A 67 -1.692 -1.339 5.361 1.00 0.00 H new ATOM 0 HA ASP A 67 -2.185 -1.529 2.491 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -0.828 0.355 4.388 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -0.215 0.300 2.747 1.00 0.00 H new ATOM 957 N ARG A 68 -0.366 -3.168 2.044 1.00 0.00 N ATOM 958 CA ARG A 68 0.743 -4.019 1.631 1.00 0.00 C ATOM 959 C ARG A 68 1.930 -3.179 1.167 1.00 0.00 C ATOM 960 O ARG A 68 1.985 -2.745 0.016 1.00 0.00 O ATOM 961 CB ARG A 68 0.301 -4.960 0.508 1.00 0.00 C ATOM 962 CG ARG A 68 -0.254 -6.284 1.007 1.00 0.00 C ATOM 963 CD ARG A 68 -1.413 -6.076 1.969 1.00 0.00 C ATOM 964 NE ARG A 68 -2.494 -5.302 1.363 1.00 0.00 N ATOM 965 CZ ARG A 68 -3.737 -5.287 1.830 1.00 0.00 C ATOM 966 NH1 ARG A 68 -4.055 -5.998 2.903 1.00 0.00 N ATOM 967 NH2 ARG A 68 -4.666 -4.558 1.224 1.00 0.00 N ATOM 0 H ARG A 68 -1.255 -3.387 1.595 1.00 0.00 H new ATOM 0 HA ARG A 68 1.053 -4.611 2.492 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.458 -4.461 -0.095 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.150 -5.155 -0.147 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.587 -6.883 0.159 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.536 -6.847 1.504 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -1.796 -7.045 2.290 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -1.056 -5.563 2.862 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.282 -4.743 0.537 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -3.344 -6.559 3.372 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -5.011 -5.984 3.259 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -4.425 -4.009 0.399 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -5.621 -4.547 1.583 1.00 0.00 H new ATOM 981 N VAL A 69 2.878 -2.953 2.071 1.00 0.00 N ATOM 982 CA VAL A 69 4.063 -2.166 1.755 1.00 0.00 C ATOM 983 C VAL A 69 4.953 -2.891 0.752 1.00 0.00 C ATOM 984 O VAL A 69 5.387 -4.018 0.991 1.00 0.00 O ATOM 985 CB VAL A 69 4.884 -1.854 3.021 1.00 0.00 C ATOM 986 CG1 VAL A 69 5.949 -0.810 2.723 1.00 0.00 C ATOM 987 CG2 VAL A 69 3.971 -1.391 4.146 1.00 0.00 C ATOM 0 H VAL A 69 2.848 -3.304 3.028 1.00 0.00 H new ATOM 0 HA VAL A 69 3.714 -1.231 1.317 1.00 0.00 H new ATOM 0 HB VAL A 69 5.385 -2.767 3.343 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.519 -0.603 3.629 1.00 0.00 H new ATOM 0 HG12 VAL A 69 6.620 -1.185 1.950 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.473 0.107 2.376 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.567 -1.175 5.033 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.441 -0.490 3.837 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.250 -2.176 4.376 1.00 0.00 H new ATOM 997 N VAL A 70 5.223 -2.236 -0.373 1.00 0.00 N ATOM 998 CA VAL A 70 6.063 -2.817 -1.413 1.00 0.00 C ATOM 999 C VAL A 70 7.468 -2.225 -1.380 1.00 0.00 C ATOM 1000 O VAL A 70 8.458 -2.953 -1.312 1.00 0.00 O ATOM 1001 CB VAL A 70 5.458 -2.597 -2.812 1.00 0.00 C ATOM 1002 CG1 VAL A 70 6.261 -3.345 -3.866 1.00 0.00 C ATOM 1003 CG2 VAL A 70 4.000 -3.030 -2.835 1.00 0.00 C ATOM 0 H VAL A 70 4.872 -1.303 -0.587 1.00 0.00 H new ATOM 0 HA VAL A 70 6.118 -3.887 -1.213 1.00 0.00 H new ATOM 0 HB VAL A 70 5.502 -1.533 -3.044 1.00 0.00 H new ATOM 0 HG11 VAL A 70 5.818 -3.177 -4.848 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.289 -2.983 -3.865 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.252 -4.412 -3.641 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.588 -2.868 -3.831 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.931 -4.088 -2.581 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.435 -2.445 -2.109 1.00 0.00 H new ATOM 1013 N MET A 71 7.546 -0.899 -1.429 1.00 0.00 N ATOM 1014 CA MET A 71 8.830 -0.208 -1.403 1.00 0.00 C ATOM 1015 C MET A 71 8.790 0.978 -0.446 1.00 0.00 C ATOM 1016 O MET A 71 7.730 1.554 -0.199 1.00 0.00 O ATOM 1017 CB MET A 71 9.206 0.268 -2.808 1.00 0.00 C ATOM 1018 CG MET A 71 10.454 1.135 -2.842 1.00 0.00 C ATOM 1019 SD MET A 71 11.366 0.978 -4.389 1.00 0.00 S ATOM 1020 CE MET A 71 12.389 -0.449 -4.035 1.00 0.00 C ATOM 0 H MET A 71 6.736 -0.282 -1.487 1.00 0.00 H new ATOM 0 HA MET A 71 9.585 -0.911 -1.051 1.00 0.00 H new ATOM 0 HB2 MET A 71 9.360 -0.601 -3.448 1.00 0.00 H new ATOM 0 HB3 MET A 71 8.372 0.830 -3.228 1.00 0.00 H new ATOM 0 HG2 MET A 71 10.172 2.178 -2.695 1.00 0.00 H new ATOM 0 HG3 MET A 71 11.105 0.861 -2.012 1.00 0.00 H new ATOM 0 HE1 MET A 71 13.435 -0.145 -3.989 1.00 0.00 H new ATOM 0 HE2 MET A 71 12.094 -0.880 -3.078 1.00 0.00 H new ATOM 0 HE3 MET A 71 12.262 -1.192 -4.822 1.00 0.00 H new ATOM 1030 N VAL A 72 9.950 1.339 0.092 1.00 0.00 N ATOM 1031 CA VAL A 72 10.047 2.458 1.022 1.00 0.00 C ATOM 1032 C VAL A 72 11.326 3.255 0.791 1.00 0.00 C ATOM 1033 O VAL A 72 12.416 2.820 1.157 1.00 0.00 O ATOM 1034 CB VAL A 72 10.014 1.976 2.485 1.00 0.00 C ATOM 1035 CG1 VAL A 72 10.300 3.130 3.434 1.00 0.00 C ATOM 1036 CG2 VAL A 72 8.672 1.333 2.803 1.00 0.00 C ATOM 0 H VAL A 72 10.837 0.873 -0.100 1.00 0.00 H new ATOM 0 HA VAL A 72 9.184 3.098 0.838 1.00 0.00 H new ATOM 0 HB VAL A 72 10.792 1.225 2.620 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.272 2.771 4.463 1.00 0.00 H new ATOM 0 HG12 VAL A 72 11.286 3.541 3.220 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.546 3.906 3.301 1.00 0.00 H new ATOM 0 HG21 VAL A 72 8.666 0.998 3.840 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.875 2.061 2.652 1.00 0.00 H new ATOM 0 HG23 VAL A 72 8.513 0.479 2.145 1.00 0.00 H new ATOM 1046 N ASN A 73 11.183 4.428 0.181 1.00 0.00 N ATOM 1047 CA ASN A 73 12.326 5.288 -0.100 1.00 0.00 C ATOM 1048 C ASN A 73 13.323 4.585 -1.017 1.00 0.00 C ATOM 1049 O ASN A 73 14.512 4.902 -1.017 1.00 0.00 O ATOM 1050 CB ASN A 73 13.016 5.696 1.204 1.00 0.00 C ATOM 1051 CG ASN A 73 12.383 6.923 1.833 1.00 0.00 C ATOM 1052 OD1 ASN A 73 11.902 7.815 1.134 1.00 0.00 O ATOM 1053 ND2 ASN A 73 12.380 6.972 3.160 1.00 0.00 N ATOM 0 H ASN A 73 10.287 4.804 -0.128 1.00 0.00 H new ATOM 0 HA ASN A 73 11.961 6.182 -0.606 1.00 0.00 H new ATOM 0 HB2 ASN A 73 12.973 4.866 1.910 1.00 0.00 H new ATOM 0 HB3 ASN A 73 14.070 5.894 1.008 1.00 0.00 H new ATOM 0 HD21 ASN A 73 11.968 7.772 3.640 1.00 0.00 H new ATOM 0 HD22 ASN A 73 12.790 6.210 3.699 1.00 0.00 H new ATOM 1060 N GLY A 74 12.829 3.629 -1.797 1.00 0.00 N ATOM 1061 CA GLY A 74 13.689 2.897 -2.709 1.00 0.00 C ATOM 1062 C GLY A 74 14.180 1.590 -2.118 1.00 0.00 C ATOM 1063 O GLY A 74 15.210 1.059 -2.536 1.00 0.00 O ATOM 0 H GLY A 74 11.849 3.348 -1.814 1.00 0.00 H new ATOM 0 HA2 GLY A 74 13.146 2.694 -3.632 1.00 0.00 H new ATOM 0 HA3 GLY A 74 14.545 3.517 -2.973 1.00 0.00 H new ATOM 1067 N THR A 75 13.443 1.069 -1.142 1.00 0.00 N ATOM 1068 CA THR A 75 13.810 -0.182 -0.492 1.00 0.00 C ATOM 1069 C THR A 75 12.650 -1.171 -0.506 1.00 0.00 C ATOM 1070 O THR A 75 11.537 -0.865 -0.079 1.00 0.00 O ATOM 1071 CB THR A 75 14.252 0.051 0.965 1.00 0.00 C ATOM 1072 OG1 THR A 75 15.334 0.989 1.005 1.00 0.00 O ATOM 1073 CG2 THR A 75 14.683 -1.254 1.616 1.00 0.00 C ATOM 0 H THR A 75 12.588 1.495 -0.784 1.00 0.00 H new ATOM 0 HA THR A 75 14.645 -0.598 -1.056 1.00 0.00 H new ATOM 0 HB THR A 75 13.403 0.452 1.518 1.00 0.00 H new ATOM 0 HG1 THR A 75 15.062 1.781 1.514 1.00 0.00 H new ATOM 0 HG21 THR A 75 14.991 -1.063 2.644 1.00 0.00 H new ATOM 0 HG22 THR A 75 13.849 -1.956 1.611 1.00 0.00 H new ATOM 0 HG23 THR A 75 15.519 -1.679 1.060 1.00 0.00 H new ATOM 1081 N PRO A 76 12.914 -2.386 -1.009 1.00 0.00 N ATOM 1082 CA PRO A 76 11.904 -3.446 -1.090 1.00 0.00 C ATOM 1083 C PRO A 76 11.522 -3.988 0.283 1.00 0.00 C ATOM 1084 O PRO A 76 12.372 -4.479 1.025 1.00 0.00 O ATOM 1085 CB PRO A 76 12.594 -4.531 -1.921 1.00 0.00 C ATOM 1086 CG PRO A 76 14.051 -4.305 -1.704 1.00 0.00 C ATOM 1087 CD PRO A 76 14.219 -2.820 -1.536 1.00 0.00 C ATOM 0 HA PRO A 76 10.970 -3.088 -1.524 1.00 0.00 H new ATOM 0 HB2 PRO A 76 12.295 -5.528 -1.597 1.00 0.00 H new ATOM 0 HB3 PRO A 76 12.333 -4.447 -2.976 1.00 0.00 H new ATOM 0 HG2 PRO A 76 14.402 -4.840 -0.821 1.00 0.00 H new ATOM 0 HG3 PRO A 76 14.633 -4.670 -2.550 1.00 0.00 H new ATOM 0 HD2 PRO A 76 15.030 -2.583 -0.847 1.00 0.00 H new ATOM 0 HD3 PRO A 76 14.452 -2.332 -2.483 1.00 0.00 H new ATOM 1095 N MET A 77 10.238 -3.897 0.613 1.00 0.00 N ATOM 1096 CA MET A 77 9.743 -4.381 1.897 1.00 0.00 C ATOM 1097 C MET A 77 9.081 -5.747 1.744 1.00 0.00 C ATOM 1098 O MET A 77 8.305 -6.169 2.601 1.00 0.00 O ATOM 1099 CB MET A 77 8.749 -3.383 2.494 1.00 0.00 C ATOM 1100 CG MET A 77 9.195 -1.935 2.373 1.00 0.00 C ATOM 1101 SD MET A 77 10.176 -1.390 3.785 1.00 0.00 S ATOM 1102 CE MET A 77 11.824 -1.420 3.085 1.00 0.00 C ATOM 0 H MET A 77 9.522 -3.493 0.010 1.00 0.00 H new ATOM 0 HA MET A 77 10.593 -4.482 2.571 1.00 0.00 H new ATOM 0 HB2 MET A 77 7.786 -3.501 1.997 1.00 0.00 H new ATOM 0 HB3 MET A 77 8.596 -3.621 3.547 1.00 0.00 H new ATOM 0 HG2 MET A 77 9.780 -1.814 1.461 1.00 0.00 H new ATOM 0 HG3 MET A 77 8.318 -1.295 2.277 1.00 0.00 H new ATOM 0 HE1 MET A 77 12.561 -1.352 3.886 1.00 0.00 H new ATOM 0 HE2 MET A 77 11.969 -2.350 2.536 1.00 0.00 H new ATOM 0 HE3 MET A 77 11.947 -0.576 2.407 1.00 0.00 H new ATOM 1112 N GLU A 78 9.392 -6.432 0.648 1.00 0.00 N ATOM 1113 CA GLU A 78 8.825 -7.749 0.385 1.00 0.00 C ATOM 1114 C GLU A 78 9.731 -8.850 0.930 1.00 0.00 C ATOM 1115 O GLU A 78 10.884 -8.980 0.518 1.00 0.00 O ATOM 1116 CB GLU A 78 8.612 -7.946 -1.118 1.00 0.00 C ATOM 1117 CG GLU A 78 9.849 -7.657 -1.951 1.00 0.00 C ATOM 1118 CD GLU A 78 9.667 -8.022 -3.411 1.00 0.00 C ATOM 1119 OE1 GLU A 78 9.339 -9.193 -3.694 1.00 0.00 O ATOM 1120 OE2 GLU A 78 9.853 -7.136 -4.271 1.00 0.00 O ATOM 0 H GLU A 78 10.033 -6.097 -0.071 1.00 0.00 H new ATOM 0 HA GLU A 78 7.862 -7.810 0.892 1.00 0.00 H new ATOM 0 HB2 GLU A 78 8.294 -8.972 -1.300 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.801 -7.297 -1.450 1.00 0.00 H new ATOM 0 HG2 GLU A 78 10.096 -6.598 -1.873 1.00 0.00 H new ATOM 0 HG3 GLU A 78 10.694 -8.212 -1.544 1.00 0.00 H new ATOM 1127 N ASP A 79 9.200 -9.639 1.857 1.00 0.00 N ATOM 1128 CA ASP A 79 9.959 -10.730 2.459 1.00 0.00 C ATOM 1129 C ASP A 79 11.122 -10.191 3.286 1.00 0.00 C ATOM 1130 O ASP A 79 12.231 -10.723 3.240 1.00 0.00 O ATOM 1131 CB ASP A 79 10.483 -11.673 1.375 1.00 0.00 C ATOM 1132 CG ASP A 79 10.613 -13.102 1.865 1.00 0.00 C ATOM 1133 OD1 ASP A 79 10.991 -13.295 3.040 1.00 0.00 O ATOM 1134 OD2 ASP A 79 10.337 -14.028 1.074 1.00 0.00 O ATOM 0 H ASP A 79 8.247 -9.544 2.208 1.00 0.00 H new ATOM 0 HA ASP A 79 9.292 -11.283 3.120 1.00 0.00 H new ATOM 0 HB2 ASP A 79 9.811 -11.646 0.518 1.00 0.00 H new ATOM 0 HB3 ASP A 79 11.455 -11.321 1.029 1.00 0.00 H new ATOM 1139 N VAL A 80 10.861 -9.129 4.043 1.00 0.00 N ATOM 1140 CA VAL A 80 11.885 -8.518 4.882 1.00 0.00 C ATOM 1141 C VAL A 80 11.537 -8.652 6.360 1.00 0.00 C ATOM 1142 O VAL A 80 10.448 -9.105 6.714 1.00 0.00 O ATOM 1143 CB VAL A 80 12.071 -7.027 4.543 1.00 0.00 C ATOM 1144 CG1 VAL A 80 12.438 -6.854 3.077 1.00 0.00 C ATOM 1145 CG2 VAL A 80 10.812 -6.243 4.882 1.00 0.00 C ATOM 0 H VAL A 80 9.949 -8.674 4.092 1.00 0.00 H new ATOM 0 HA VAL A 80 12.816 -9.048 4.682 1.00 0.00 H new ATOM 0 HB VAL A 80 12.890 -6.635 5.146 1.00 0.00 H new ATOM 0 HG11 VAL A 80 12.565 -5.794 2.856 1.00 0.00 H new ATOM 0 HG12 VAL A 80 13.369 -7.382 2.870 1.00 0.00 H new ATOM 0 HG13 VAL A 80 11.643 -7.262 2.452 1.00 0.00 H new ATOM 0 HG21 VAL A 80 10.961 -5.192 4.636 1.00 0.00 H new ATOM 0 HG22 VAL A 80 9.973 -6.635 4.307 1.00 0.00 H new ATOM 0 HG23 VAL A 80 10.599 -6.340 5.946 1.00 0.00 H new ATOM 1155 N LEU A 81 12.469 -8.256 7.220 1.00 0.00 N ATOM 1156 CA LEU A 81 12.262 -8.332 8.662 1.00 0.00 C ATOM 1157 C LEU A 81 11.474 -7.125 9.162 1.00 0.00 C ATOM 1158 O LEU A 81 11.643 -6.011 8.667 1.00 0.00 O ATOM 1159 CB LEU A 81 13.607 -8.413 9.386 1.00 0.00 C ATOM 1160 CG LEU A 81 14.359 -9.738 9.260 1.00 0.00 C ATOM 1161 CD1 LEU A 81 15.681 -9.675 10.009 1.00 0.00 C ATOM 1162 CD2 LEU A 81 13.505 -10.887 9.776 1.00 0.00 C ATOM 0 H LEU A 81 13.376 -7.879 6.944 1.00 0.00 H new ATOM 0 HA LEU A 81 11.687 -9.233 8.876 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.249 -7.617 9.008 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.440 -8.213 10.444 1.00 0.00 H new ATOM 0 HG LEU A 81 14.571 -9.915 8.206 1.00 0.00 H new ATOM 0 HD11 LEU A 81 16.202 -10.627 9.908 1.00 0.00 H new ATOM 0 HD12 LEU A 81 16.297 -8.878 9.593 1.00 0.00 H new ATOM 0 HD13 LEU A 81 15.492 -9.475 11.064 1.00 0.00 H new ATOM 0 HD21 LEU A 81 14.056 -11.822 9.679 1.00 0.00 H new ATOM 0 HD22 LEU A 81 13.261 -10.717 10.825 1.00 0.00 H new ATOM 0 HD23 LEU A 81 12.585 -10.946 9.195 1.00 0.00 H new ATOM 1174 N HIS A 82 10.612 -7.356 10.148 1.00 0.00 N ATOM 1175 CA HIS A 82 9.799 -6.287 10.718 1.00 0.00 C ATOM 1176 C HIS A 82 10.663 -5.084 11.086 1.00 0.00 C ATOM 1177 O HIS A 82 10.239 -3.937 10.944 1.00 0.00 O ATOM 1178 CB HIS A 82 9.052 -6.790 11.954 1.00 0.00 C ATOM 1179 CG HIS A 82 8.741 -5.712 12.946 1.00 0.00 C ATOM 1180 ND1 HIS A 82 7.571 -4.984 12.923 1.00 0.00 N ATOM 1181 CD2 HIS A 82 9.456 -5.241 13.994 1.00 0.00 C ATOM 1182 CE1 HIS A 82 7.579 -4.110 13.914 1.00 0.00 C ATOM 1183 NE2 HIS A 82 8.712 -4.246 14.580 1.00 0.00 N ATOM 0 H HIS A 82 10.459 -8.273 10.568 1.00 0.00 H new ATOM 0 HA HIS A 82 9.074 -5.975 9.966 1.00 0.00 H new ATOM 0 HB2 HIS A 82 8.121 -7.262 11.639 1.00 0.00 H new ATOM 0 HB3 HIS A 82 9.650 -7.560 12.442 1.00 0.00 H new ATOM 0 HD2 HIS A 82 10.430 -5.584 14.311 1.00 0.00 H new ATOM 0 HE1 HIS A 82 6.793 -3.405 14.141 1.00 0.00 H new ATOM 0 HE2 HIS A 82 8.989 -3.701 15.396 1.00 0.00 H new ATOM 1192 N SER A 83 11.875 -5.355 11.559 1.00 0.00 N ATOM 1193 CA SER A 83 12.797 -4.295 11.951 1.00 0.00 C ATOM 1194 C SER A 83 13.401 -3.619 10.724 1.00 0.00 C ATOM 1195 O SER A 83 13.800 -2.456 10.776 1.00 0.00 O ATOM 1196 CB SER A 83 13.909 -4.859 12.837 1.00 0.00 C ATOM 1197 OG SER A 83 13.382 -5.393 14.040 1.00 0.00 O ATOM 0 H SER A 83 12.242 -6.299 11.680 1.00 0.00 H new ATOM 0 HA SER A 83 12.236 -3.550 12.515 1.00 0.00 H new ATOM 0 HB2 SER A 83 14.450 -5.636 12.297 1.00 0.00 H new ATOM 0 HB3 SER A 83 14.628 -4.073 13.069 1.00 0.00 H new ATOM 0 HG SER A 83 14.113 -5.749 14.588 1.00 0.00 H new ATOM 1203 N PHE A 84 13.466 -4.358 9.621 1.00 0.00 N ATOM 1204 CA PHE A 84 14.023 -3.832 8.381 1.00 0.00 C ATOM 1205 C PHE A 84 13.090 -2.795 7.762 1.00 0.00 C ATOM 1206 O PHE A 84 13.537 -1.773 7.244 1.00 0.00 O ATOM 1207 CB PHE A 84 14.271 -4.968 7.386 1.00 0.00 C ATOM 1208 CG PHE A 84 14.858 -4.507 6.083 1.00 0.00 C ATOM 1209 CD1 PHE A 84 16.208 -4.208 5.983 1.00 0.00 C ATOM 1210 CD2 PHE A 84 14.061 -4.371 4.958 1.00 0.00 C ATOM 1211 CE1 PHE A 84 16.752 -3.784 4.786 1.00 0.00 C ATOM 1212 CE2 PHE A 84 14.599 -3.947 3.758 1.00 0.00 C ATOM 1213 CZ PHE A 84 15.946 -3.652 3.672 1.00 0.00 C ATOM 0 H PHE A 84 13.140 -5.323 9.561 1.00 0.00 H new ATOM 0 HA PHE A 84 14.972 -3.349 8.615 1.00 0.00 H new ATOM 0 HB2 PHE A 84 14.942 -5.697 7.840 1.00 0.00 H new ATOM 0 HB3 PHE A 84 13.329 -5.480 7.190 1.00 0.00 H new ATOM 0 HD1 PHE A 84 16.842 -4.308 6.851 1.00 0.00 H new ATOM 0 HD2 PHE A 84 13.007 -4.599 5.020 1.00 0.00 H new ATOM 0 HE1 PHE A 84 17.806 -3.556 4.721 1.00 0.00 H new ATOM 0 HE2 PHE A 84 13.967 -3.846 2.888 1.00 0.00 H new ATOM 0 HZ PHE A 84 16.368 -3.319 2.735 1.00 0.00 H new ATOM 1223 N ALA A 85 11.790 -3.067 7.822 1.00 0.00 N ATOM 1224 CA ALA A 85 10.793 -2.158 7.269 1.00 0.00 C ATOM 1225 C ALA A 85 10.807 -0.819 7.999 1.00 0.00 C ATOM 1226 O ALA A 85 10.833 0.240 7.374 1.00 0.00 O ATOM 1227 CB ALA A 85 9.409 -2.786 7.340 1.00 0.00 C ATOM 0 H ALA A 85 11.403 -3.909 8.248 1.00 0.00 H new ATOM 0 HA ALA A 85 11.043 -1.975 6.224 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.675 -2.096 6.924 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.401 -3.714 6.768 1.00 0.00 H new ATOM 0 HB3 ALA A 85 9.159 -2.999 8.379 1.00 0.00 H new ATOM 1233 N VAL A 86 10.789 -0.875 9.328 1.00 0.00 N ATOM 1234 CA VAL A 86 10.800 0.334 10.143 1.00 0.00 C ATOM 1235 C VAL A 86 12.103 1.105 9.966 1.00 0.00 C ATOM 1236 O VAL A 86 12.108 2.335 9.938 1.00 0.00 O ATOM 1237 CB VAL A 86 10.609 0.005 11.636 1.00 0.00 C ATOM 1238 CG1 VAL A 86 11.528 -1.133 12.054 1.00 0.00 C ATOM 1239 CG2 VAL A 86 10.855 1.241 12.489 1.00 0.00 C ATOM 0 H VAL A 86 10.767 -1.744 9.862 1.00 0.00 H new ATOM 0 HA VAL A 86 9.968 0.952 9.805 1.00 0.00 H new ATOM 0 HB VAL A 86 9.579 -0.316 11.791 1.00 0.00 H new ATOM 0 HG11 VAL A 86 11.379 -1.351 13.111 1.00 0.00 H new ATOM 0 HG12 VAL A 86 11.299 -2.021 11.464 1.00 0.00 H new ATOM 0 HG13 VAL A 86 12.565 -0.843 11.886 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.716 0.991 13.541 1.00 0.00 H new ATOM 0 HG22 VAL A 86 11.874 1.595 12.332 1.00 0.00 H new ATOM 0 HG23 VAL A 86 10.152 2.024 12.206 1.00 0.00 H new ATOM 1249 N GLN A 87 13.206 0.373 9.847 1.00 0.00 N ATOM 1250 CA GLN A 87 14.516 0.989 9.673 1.00 0.00 C ATOM 1251 C GLN A 87 14.436 2.177 8.720 1.00 0.00 C ATOM 1252 O GLN A 87 14.784 3.300 9.084 1.00 0.00 O ATOM 1253 CB GLN A 87 15.519 -0.038 9.145 1.00 0.00 C ATOM 1254 CG GLN A 87 16.958 0.261 9.535 1.00 0.00 C ATOM 1255 CD GLN A 87 17.368 -0.425 10.823 1.00 0.00 C ATOM 1256 OE1 GLN A 87 16.525 -0.927 11.568 1.00 0.00 O ATOM 1257 NE2 GLN A 87 18.668 -0.450 11.092 1.00 0.00 N ATOM 0 H GLN A 87 13.219 -0.647 9.868 1.00 0.00 H new ATOM 0 HA GLN A 87 14.853 1.349 10.645 1.00 0.00 H new ATOM 0 HB2 GLN A 87 15.247 -1.025 9.520 1.00 0.00 H new ATOM 0 HB3 GLN A 87 15.447 -0.079 8.058 1.00 0.00 H new ATOM 0 HG2 GLN A 87 17.622 -0.057 8.731 1.00 0.00 H new ATOM 0 HG3 GLN A 87 17.084 1.338 9.645 1.00 0.00 H new ATOM 0 HE21 GLN A 87 19.331 -0.021 10.446 1.00 0.00 H new ATOM 0 HE22 GLN A 87 19.004 -0.898 11.945 1.00 0.00 H new ATOM 1266 N GLN A 88 13.978 1.920 7.499 1.00 0.00 N ATOM 1267 CA GLN A 88 13.854 2.969 6.493 1.00 0.00 C ATOM 1268 C GLN A 88 13.134 4.187 7.063 1.00 0.00 C ATOM 1269 O GLN A 88 13.503 5.327 6.782 1.00 0.00 O ATOM 1270 CB GLN A 88 13.104 2.444 5.268 1.00 0.00 C ATOM 1271 CG GLN A 88 13.739 1.211 4.647 1.00 0.00 C ATOM 1272 CD GLN A 88 14.994 1.534 3.860 1.00 0.00 C ATOM 1273 OE1 GLN A 88 15.019 2.480 3.072 1.00 0.00 O ATOM 1274 NE2 GLN A 88 16.043 0.748 4.069 1.00 0.00 N ATOM 0 H GLN A 88 13.687 0.995 7.182 1.00 0.00 H new ATOM 0 HA GLN A 88 14.857 3.271 6.193 1.00 0.00 H new ATOM 0 HB2 GLN A 88 12.079 2.209 5.553 1.00 0.00 H new ATOM 0 HB3 GLN A 88 13.053 3.233 4.518 1.00 0.00 H new ATOM 0 HG2 GLN A 88 13.982 0.497 5.434 1.00 0.00 H new ATOM 0 HG3 GLN A 88 13.017 0.727 3.989 1.00 0.00 H new ATOM 0 HE21 GLN A 88 15.977 -0.025 4.732 1.00 0.00 H new ATOM 0 HE22 GLN A 88 16.915 0.917 3.567 1.00 0.00 H new ATOM 1283 N LEU A 89 12.104 3.937 7.864 1.00 0.00 N ATOM 1284 CA LEU A 89 11.331 5.014 8.474 1.00 0.00 C ATOM 1285 C LEU A 89 12.216 5.888 9.356 1.00 0.00 C ATOM 1286 O LEU A 89 12.231 7.112 9.219 1.00 0.00 O ATOM 1287 CB LEU A 89 10.180 4.437 9.300 1.00 0.00 C ATOM 1288 CG LEU A 89 9.262 3.451 8.576 1.00 0.00 C ATOM 1289 CD1 LEU A 89 8.129 3.007 9.488 1.00 0.00 C ATOM 1290 CD2 LEU A 89 8.711 4.073 7.301 1.00 0.00 C ATOM 0 H LEU A 89 11.785 2.999 8.106 1.00 0.00 H new ATOM 0 HA LEU A 89 10.923 5.633 7.675 1.00 0.00 H new ATOM 0 HB2 LEU A 89 10.601 3.937 10.173 1.00 0.00 H new ATOM 0 HB3 LEU A 89 9.573 5.264 9.668 1.00 0.00 H new ATOM 0 HG LEU A 89 9.847 2.572 8.304 1.00 0.00 H new ATOM 0 HD11 LEU A 89 7.487 2.306 8.955 1.00 0.00 H new ATOM 0 HD12 LEU A 89 8.542 2.521 10.372 1.00 0.00 H new ATOM 0 HD13 LEU A 89 7.545 3.876 9.792 1.00 0.00 H new ATOM 0 HD21 LEU A 89 8.060 3.357 6.799 1.00 0.00 H new ATOM 0 HD22 LEU A 89 8.142 4.969 7.550 1.00 0.00 H new ATOM 0 HD23 LEU A 89 9.536 4.339 6.640 1.00 0.00 H new ATOM 1302 N ARG A 90 12.955 5.252 10.260 1.00 0.00 N ATOM 1303 CA ARG A 90 13.844 5.973 11.163 1.00 0.00 C ATOM 1304 C ARG A 90 14.998 6.611 10.396 1.00 0.00 C ATOM 1305 O ARG A 90 15.537 7.639 10.806 1.00 0.00 O ATOM 1306 CB ARG A 90 14.391 5.028 12.235 1.00 0.00 C ATOM 1307 CG ARG A 90 14.978 3.743 11.672 1.00 0.00 C ATOM 1308 CD ARG A 90 15.604 2.892 12.765 1.00 0.00 C ATOM 1309 NE ARG A 90 16.696 3.587 13.442 1.00 0.00 N ATOM 1310 CZ ARG A 90 17.372 3.074 14.464 1.00 0.00 C ATOM 1311 NH1 ARG A 90 17.069 1.869 14.926 1.00 0.00 N ATOM 1312 NH2 ARG A 90 18.353 3.768 15.028 1.00 0.00 N ATOM 0 H ARG A 90 12.955 4.240 10.386 1.00 0.00 H new ATOM 0 HA ARG A 90 13.269 6.764 11.644 1.00 0.00 H new ATOM 0 HB2 ARG A 90 15.159 5.548 12.808 1.00 0.00 H new ATOM 0 HB3 ARG A 90 13.589 4.778 12.930 1.00 0.00 H new ATOM 0 HG2 ARG A 90 14.196 3.174 11.169 1.00 0.00 H new ATOM 0 HG3 ARG A 90 15.730 3.984 10.921 1.00 0.00 H new ATOM 0 HD2 ARG A 90 14.841 2.619 13.494 1.00 0.00 H new ATOM 0 HD3 ARG A 90 15.978 1.964 12.332 1.00 0.00 H new ATOM 0 HE ARG A 90 16.954 4.517 13.112 1.00 0.00 H new ATOM 0 HH11 ARG A 90 16.315 1.333 14.497 1.00 0.00 H new ATOM 0 HH12 ARG A 90 17.590 1.478 15.711 1.00 0.00 H new ATOM 0 HH21 ARG A 90 18.588 4.696 14.677 1.00 0.00 H new ATOM 0 HH22 ARG A 90 18.871 3.373 15.813 1.00 0.00 H new ATOM 1326 N LYS A 91 15.372 5.995 9.280 1.00 0.00 N ATOM 1327 CA LYS A 91 16.461 6.503 8.454 1.00 0.00 C ATOM 1328 C LYS A 91 16.014 7.723 7.654 1.00 0.00 C ATOM 1329 O LYS A 91 16.823 8.590 7.324 1.00 0.00 O ATOM 1330 CB LYS A 91 16.959 5.412 7.503 1.00 0.00 C ATOM 1331 CG LYS A 91 17.628 4.247 8.212 1.00 0.00 C ATOM 1332 CD LYS A 91 17.710 3.022 7.317 1.00 0.00 C ATOM 1333 CE LYS A 91 19.010 2.995 6.527 1.00 0.00 C ATOM 1334 NZ LYS A 91 20.077 2.240 7.240 1.00 0.00 N ATOM 0 H LYS A 91 14.937 5.143 8.926 1.00 0.00 H new ATOM 0 HA LYS A 91 17.275 6.801 9.114 1.00 0.00 H new ATOM 0 HB2 LYS A 91 16.117 5.037 6.921 1.00 0.00 H new ATOM 0 HB3 LYS A 91 17.665 5.851 6.797 1.00 0.00 H new ATOM 0 HG2 LYS A 91 18.631 4.538 8.525 1.00 0.00 H new ATOM 0 HG3 LYS A 91 17.071 4.002 9.116 1.00 0.00 H new ATOM 0 HD2 LYS A 91 17.633 2.120 7.925 1.00 0.00 H new ATOM 0 HD3 LYS A 91 16.865 3.015 6.629 1.00 0.00 H new ATOM 0 HE2 LYS A 91 18.833 2.540 5.552 1.00 0.00 H new ATOM 0 HE3 LYS A 91 19.346 4.016 6.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 20.946 2.245 6.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 20.264 2.688 8.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 19.767 1.259 7.390 1.00 0.00 H new ATOM 1348 N SER A 92 14.722 7.783 7.347 1.00 0.00 N ATOM 1349 CA SER A 92 14.169 8.896 6.585 1.00 0.00 C ATOM 1350 C SER A 92 14.362 10.214 7.329 1.00 0.00 C ATOM 1351 O SER A 92 14.021 10.331 8.505 1.00 0.00 O ATOM 1352 CB SER A 92 12.682 8.665 6.311 1.00 0.00 C ATOM 1353 OG SER A 92 12.104 9.781 5.655 1.00 0.00 O ATOM 0 H SER A 92 14.039 7.074 7.614 1.00 0.00 H new ATOM 0 HA SER A 92 14.702 8.954 5.636 1.00 0.00 H new ATOM 0 HB2 SER A 92 12.557 7.773 5.697 1.00 0.00 H new ATOM 0 HB3 SER A 92 12.160 8.481 7.250 1.00 0.00 H new ATOM 0 HG SER A 92 12.141 9.646 4.685 1.00 0.00 H new ATOM 1359 N GLY A 93 14.912 11.205 6.633 1.00 0.00 N ATOM 1360 CA GLY A 93 15.141 12.501 7.243 1.00 0.00 C ATOM 1361 C GLY A 93 13.856 13.160 7.705 1.00 0.00 C ATOM 1362 O GLY A 93 13.577 13.222 8.903 1.00 0.00 O ATOM 0 H GLY A 93 15.203 11.133 5.658 1.00 0.00 H new ATOM 0 HA2 GLY A 93 15.812 12.385 8.094 1.00 0.00 H new ATOM 0 HA3 GLY A 93 15.643 13.152 6.527 1.00 0.00 H new ATOM 1366 N LYS A 94 13.072 13.656 6.754 1.00 0.00 N ATOM 1367 CA LYS A 94 11.809 14.314 7.068 1.00 0.00 C ATOM 1368 C LYS A 94 10.671 13.733 6.235 1.00 0.00 C ATOM 1369 O LYS A 94 9.589 13.457 6.754 1.00 0.00 O ATOM 1370 CB LYS A 94 11.920 15.820 6.820 1.00 0.00 C ATOM 1371 CG LYS A 94 10.602 16.559 6.966 1.00 0.00 C ATOM 1372 CD LYS A 94 10.815 18.000 7.401 1.00 0.00 C ATOM 1373 CE LYS A 94 11.115 18.901 6.213 1.00 0.00 C ATOM 1374 NZ LYS A 94 9.880 19.260 5.463 1.00 0.00 N ATOM 0 H LYS A 94 13.289 13.615 5.758 1.00 0.00 H new ATOM 0 HA LYS A 94 11.589 14.141 8.121 1.00 0.00 H new ATOM 0 HB2 LYS A 94 12.643 16.242 7.518 1.00 0.00 H new ATOM 0 HB3 LYS A 94 12.311 15.987 5.816 1.00 0.00 H new ATOM 0 HG2 LYS A 94 10.066 16.540 6.017 1.00 0.00 H new ATOM 0 HG3 LYS A 94 9.976 16.047 7.696 1.00 0.00 H new ATOM 0 HD2 LYS A 94 9.925 18.361 7.917 1.00 0.00 H new ATOM 0 HD3 LYS A 94 11.639 18.048 8.113 1.00 0.00 H new ATOM 0 HE2 LYS A 94 11.605 19.810 6.561 1.00 0.00 H new ATOM 0 HE3 LYS A 94 11.813 18.399 5.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 10.126 19.491 4.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 9.220 18.456 5.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 9.430 20.084 5.910 1.00 0.00 H new ATOM 1388 N ILE A 95 10.923 13.550 4.944 1.00 0.00 N ATOM 1389 CA ILE A 95 9.920 12.999 4.041 1.00 0.00 C ATOM 1390 C ILE A 95 10.252 11.561 3.660 1.00 0.00 C ATOM 1391 O ILE A 95 11.366 11.264 3.228 1.00 0.00 O ATOM 1392 CB ILE A 95 9.794 13.842 2.758 1.00 0.00 C ATOM 1393 CG1 ILE A 95 9.620 15.321 3.108 1.00 0.00 C ATOM 1394 CG2 ILE A 95 8.627 13.351 1.914 1.00 0.00 C ATOM 1395 CD1 ILE A 95 8.359 15.613 3.891 1.00 0.00 C ATOM 0 H ILE A 95 11.813 13.775 4.499 1.00 0.00 H new ATOM 0 HA ILE A 95 8.970 13.020 4.575 1.00 0.00 H new ATOM 0 HB ILE A 95 10.710 13.731 2.177 1.00 0.00 H new ATOM 0 HG12 ILE A 95 10.482 15.653 3.687 1.00 0.00 H new ATOM 0 HG13 ILE A 95 9.610 15.905 2.188 1.00 0.00 H new ATOM 0 HG21 ILE A 95 8.551 13.957 1.011 1.00 0.00 H new ATOM 0 HG22 ILE A 95 8.790 12.309 1.639 1.00 0.00 H new ATOM 0 HG23 ILE A 95 7.703 13.435 2.486 1.00 0.00 H new ATOM 0 HD11 ILE A 95 8.302 16.680 4.104 1.00 0.00 H new ATOM 0 HD12 ILE A 95 7.490 15.313 3.306 1.00 0.00 H new ATOM 0 HD13 ILE A 95 8.376 15.057 4.828 1.00 0.00 H new ATOM 1407 N ALA A 96 9.278 10.671 3.822 1.00 0.00 N ATOM 1408 CA ALA A 96 9.467 9.264 3.492 1.00 0.00 C ATOM 1409 C ALA A 96 8.469 8.811 2.431 1.00 0.00 C ATOM 1410 O ALA A 96 7.263 9.014 2.573 1.00 0.00 O ATOM 1411 CB ALA A 96 9.337 8.407 4.742 1.00 0.00 C ATOM 0 H ALA A 96 8.351 10.900 4.180 1.00 0.00 H new ATOM 0 HA ALA A 96 10.471 9.143 3.085 1.00 0.00 H new ATOM 0 HB1 ALA A 96 9.480 7.359 4.481 1.00 0.00 H new ATOM 0 HB2 ALA A 96 10.092 8.707 5.469 1.00 0.00 H new ATOM 0 HB3 ALA A 96 8.345 8.541 5.173 1.00 0.00 H new ATOM 1417 N ALA A 97 8.979 8.197 1.369 1.00 0.00 N ATOM 1418 CA ALA A 97 8.132 7.714 0.285 1.00 0.00 C ATOM 1419 C ALA A 97 7.814 6.233 0.455 1.00 0.00 C ATOM 1420 O ALA A 97 8.714 5.392 0.462 1.00 0.00 O ATOM 1421 CB ALA A 97 8.802 7.961 -1.058 1.00 0.00 C ATOM 0 H ALA A 97 9.975 8.022 1.236 1.00 0.00 H new ATOM 0 HA ALA A 97 7.193 8.266 0.317 1.00 0.00 H new ATOM 0 HB1 ALA A 97 8.159 7.595 -1.858 1.00 0.00 H new ATOM 0 HB2 ALA A 97 8.972 9.030 -1.189 1.00 0.00 H new ATOM 0 HB3 ALA A 97 9.756 7.435 -1.091 1.00 0.00 H new ATOM 1427 N ILE A 98 6.530 5.920 0.594 1.00 0.00 N ATOM 1428 CA ILE A 98 6.095 4.540 0.764 1.00 0.00 C ATOM 1429 C ILE A 98 5.167 4.112 -0.368 1.00 0.00 C ATOM 1430 O ILE A 98 4.147 4.752 -0.625 1.00 0.00 O ATOM 1431 CB ILE A 98 5.371 4.339 2.109 1.00 0.00 C ATOM 1432 CG1 ILE A 98 6.300 4.696 3.271 1.00 0.00 C ATOM 1433 CG2 ILE A 98 4.881 2.905 2.237 1.00 0.00 C ATOM 1434 CD1 ILE A 98 5.650 4.554 4.629 1.00 0.00 C ATOM 0 H ILE A 98 5.773 6.604 0.592 1.00 0.00 H new ATOM 0 HA ILE A 98 6.993 3.923 0.748 1.00 0.00 H new ATOM 0 HB ILE A 98 4.507 5.002 2.143 1.00 0.00 H new ATOM 0 HG12 ILE A 98 7.182 4.056 3.230 1.00 0.00 H new ATOM 0 HG13 ILE A 98 6.645 5.723 3.148 1.00 0.00 H new ATOM 0 HG21 ILE A 98 4.372 2.778 3.192 1.00 0.00 H new ATOM 0 HG22 ILE A 98 4.189 2.683 1.425 1.00 0.00 H new ATOM 0 HG23 ILE A 98 5.731 2.224 2.186 1.00 0.00 H new ATOM 0 HD11 ILE A 98 6.366 4.823 5.405 1.00 0.00 H new ATOM 0 HD12 ILE A 98 4.785 5.214 4.689 1.00 0.00 H new ATOM 0 HD13 ILE A 98 5.330 3.522 4.773 1.00 0.00 H new ATOM 1446 N VAL A 99 5.527 3.025 -1.043 1.00 0.00 N ATOM 1447 CA VAL A 99 4.726 2.510 -2.147 1.00 0.00 C ATOM 1448 C VAL A 99 3.933 1.279 -1.722 1.00 0.00 C ATOM 1449 O VAL A 99 4.464 0.169 -1.679 1.00 0.00 O ATOM 1450 CB VAL A 99 5.606 2.147 -3.358 1.00 0.00 C ATOM 1451 CG1 VAL A 99 4.743 1.727 -4.538 1.00 0.00 C ATOM 1452 CG2 VAL A 99 6.504 3.316 -3.732 1.00 0.00 C ATOM 0 H VAL A 99 6.369 2.484 -0.844 1.00 0.00 H new ATOM 0 HA VAL A 99 4.036 3.303 -2.434 1.00 0.00 H new ATOM 0 HB VAL A 99 6.241 1.304 -3.085 1.00 0.00 H new ATOM 0 HG11 VAL A 99 5.382 1.474 -5.384 1.00 0.00 H new ATOM 0 HG12 VAL A 99 4.146 0.858 -4.261 1.00 0.00 H new ATOM 0 HG13 VAL A 99 4.081 2.548 -4.815 1.00 0.00 H new ATOM 0 HG21 VAL A 99 7.119 3.043 -4.589 1.00 0.00 H new ATOM 0 HG22 VAL A 99 5.890 4.180 -3.987 1.00 0.00 H new ATOM 0 HG23 VAL A 99 7.148 3.565 -2.888 1.00 0.00 H new ATOM 1462 N VAL A 100 2.657 1.483 -1.409 1.00 0.00 N ATOM 1463 CA VAL A 100 1.789 0.390 -0.989 1.00 0.00 C ATOM 1464 C VAL A 100 0.804 0.015 -2.092 1.00 0.00 C ATOM 1465 O VAL A 100 0.659 0.734 -3.081 1.00 0.00 O ATOM 1466 CB VAL A 100 1.002 0.755 0.284 1.00 0.00 C ATOM 1467 CG1 VAL A 100 1.934 1.321 1.344 1.00 0.00 C ATOM 1468 CG2 VAL A 100 -0.110 1.741 -0.042 1.00 0.00 C ATOM 0 H VAL A 100 2.202 2.395 -1.439 1.00 0.00 H new ATOM 0 HA VAL A 100 2.434 -0.462 -0.776 1.00 0.00 H new ATOM 0 HB VAL A 100 0.547 -0.152 0.682 1.00 0.00 H new ATOM 0 HG11 VAL A 100 1.360 1.573 2.236 1.00 0.00 H new ATOM 0 HG12 VAL A 100 2.691 0.578 1.597 1.00 0.00 H new ATOM 0 HG13 VAL A 100 2.420 2.218 0.960 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.656 1.988 0.869 1.00 0.00 H new ATOM 0 HG22 VAL A 100 0.321 2.649 -0.464 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -0.793 1.294 -0.764 1.00 0.00 H new ATOM 1478 N LYS A 101 0.129 -1.116 -1.915 1.00 0.00 N ATOM 1479 CA LYS A 101 -0.844 -1.587 -2.893 1.00 0.00 C ATOM 1480 C LYS A 101 -2.134 -2.028 -2.208 1.00 0.00 C ATOM 1481 O LYS A 101 -2.103 -2.724 -1.194 1.00 0.00 O ATOM 1482 CB LYS A 101 -0.262 -2.748 -3.703 1.00 0.00 C ATOM 1483 CG LYS A 101 0.170 -3.928 -2.851 1.00 0.00 C ATOM 1484 CD LYS A 101 0.777 -5.034 -3.697 1.00 0.00 C ATOM 1485 CE LYS A 101 0.802 -6.358 -2.949 1.00 0.00 C ATOM 1486 NZ LYS A 101 1.825 -7.289 -3.502 1.00 0.00 N ATOM 0 H LYS A 101 0.238 -1.723 -1.103 1.00 0.00 H new ATOM 0 HA LYS A 101 -1.074 -0.761 -3.566 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -1.006 -3.085 -4.425 1.00 0.00 H new ATOM 0 HB3 LYS A 101 0.595 -2.389 -4.273 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.896 -3.596 -2.109 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -0.689 -4.317 -2.304 1.00 0.00 H new ATOM 0 HD2 LYS A 101 0.204 -5.146 -4.617 1.00 0.00 H new ATOM 0 HD3 LYS A 101 1.792 -4.758 -3.985 1.00 0.00 H new ATOM 0 HE2 LYS A 101 1.009 -6.175 -1.895 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -0.181 -6.825 -3.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 1.810 -8.180 -2.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 1.613 -7.484 -4.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 2.767 -6.855 -3.426 1.00 0.00 H new ATOM 1500 N ARG A 102 -3.267 -1.618 -2.770 1.00 0.00 N ATOM 1501 CA ARG A 102 -4.567 -1.971 -2.214 1.00 0.00 C ATOM 1502 C ARG A 102 -5.426 -2.689 -3.251 1.00 0.00 C ATOM 1503 O ARG A 102 -5.421 -2.353 -4.436 1.00 0.00 O ATOM 1504 CB ARG A 102 -5.290 -0.718 -1.717 1.00 0.00 C ATOM 1505 CG ARG A 102 -4.478 0.102 -0.727 1.00 0.00 C ATOM 1506 CD ARG A 102 -5.111 1.462 -0.478 1.00 0.00 C ATOM 1507 NE ARG A 102 -4.114 2.477 -0.149 1.00 0.00 N ATOM 1508 CZ ARG A 102 -4.394 3.594 0.513 1.00 0.00 C ATOM 1509 NH1 ARG A 102 -5.634 3.837 0.915 1.00 0.00 N ATOM 1510 NH2 ARG A 102 -3.433 4.470 0.775 1.00 0.00 N ATOM 0 H ARG A 102 -3.310 -1.041 -3.610 1.00 0.00 H new ATOM 0 HA ARG A 102 -4.403 -2.646 -1.374 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -5.544 -0.092 -2.572 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -6.229 -1.013 -1.248 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -4.396 -0.440 0.215 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -3.465 0.235 -1.108 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -5.665 1.772 -1.364 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -5.831 1.383 0.337 1.00 0.00 H new ATOM 0 HE ARG A 102 -3.150 2.320 -0.444 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -6.375 3.165 0.716 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -5.846 4.696 1.423 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -2.478 4.286 0.468 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -3.649 5.327 1.283 1.00 0.00 H new ATOM 1524 N PRO A 103 -6.180 -3.700 -2.797 1.00 0.00 N ATOM 1525 CA PRO A 103 -7.058 -4.487 -3.670 1.00 0.00 C ATOM 1526 C PRO A 103 -8.257 -3.683 -4.161 1.00 0.00 C ATOM 1527 O PRO A 103 -9.053 -3.187 -3.363 1.00 0.00 O ATOM 1528 CB PRO A 103 -7.517 -5.636 -2.768 1.00 0.00 C ATOM 1529 CG PRO A 103 -7.406 -5.098 -1.383 1.00 0.00 C ATOM 1530 CD PRO A 103 -6.235 -4.155 -1.398 1.00 0.00 C ATOM 0 HA PRO A 103 -6.546 -4.816 -4.575 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -8.540 -5.934 -2.996 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -6.891 -6.518 -2.901 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -8.320 -4.581 -1.091 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -7.251 -5.902 -0.663 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -6.381 -3.322 -0.710 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -5.313 -4.655 -1.102 1.00 0.00 H new ATOM 1538 N ARG A 104 -8.381 -3.560 -5.478 1.00 0.00 N ATOM 1539 CA ARG A 104 -9.484 -2.816 -6.076 1.00 0.00 C ATOM 1540 C ARG A 104 -10.452 -3.757 -6.788 1.00 0.00 C ATOM 1541 O ARG A 104 -10.545 -3.757 -8.015 1.00 0.00 O ATOM 1542 CB ARG A 104 -8.950 -1.775 -7.061 1.00 0.00 C ATOM 1543 CG ARG A 104 -9.907 -0.620 -7.305 1.00 0.00 C ATOM 1544 CD ARG A 104 -9.707 -0.013 -8.685 1.00 0.00 C ATOM 1545 NE ARG A 104 -10.556 1.156 -8.897 1.00 0.00 N ATOM 1546 CZ ARG A 104 -11.841 1.082 -9.225 1.00 0.00 C ATOM 1547 NH1 ARG A 104 -12.423 -0.100 -9.378 1.00 0.00 N ATOM 1548 NH2 ARG A 104 -12.548 2.192 -9.400 1.00 0.00 N ATOM 0 H ARG A 104 -7.732 -3.966 -6.152 1.00 0.00 H new ATOM 0 HA ARG A 104 -10.022 -2.307 -5.276 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -8.007 -1.380 -6.684 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -8.734 -2.264 -8.011 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -10.934 -0.970 -7.206 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -9.756 0.146 -6.544 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -8.662 0.271 -8.808 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -9.925 -0.762 -9.446 1.00 0.00 H new ATOM 0 HE ARG A 104 -10.139 2.080 -8.787 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -11.884 -0.955 -9.244 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -13.410 -0.154 -9.630 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -12.104 3.103 -9.283 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -13.535 2.134 -9.652 1.00 0.00 H new ATOM 1562 N LYS A 105 -11.170 -4.558 -6.009 1.00 0.00 N ATOM 1563 CA LYS A 105 -12.132 -5.504 -6.563 1.00 0.00 C ATOM 1564 C LYS A 105 -12.825 -4.919 -7.789 1.00 0.00 C ATOM 1565 O LYS A 105 -13.031 -3.709 -7.880 1.00 0.00 O ATOM 1566 CB LYS A 105 -13.173 -5.881 -5.507 1.00 0.00 C ATOM 1567 CG LYS A 105 -12.721 -6.993 -4.577 1.00 0.00 C ATOM 1568 CD LYS A 105 -13.585 -7.063 -3.329 1.00 0.00 C ATOM 1569 CE LYS A 105 -13.225 -5.965 -2.339 1.00 0.00 C ATOM 1570 NZ LYS A 105 -14.291 -5.767 -1.319 1.00 0.00 N ATOM 0 H LYS A 105 -11.104 -4.571 -4.991 1.00 0.00 H new ATOM 0 HA LYS A 105 -11.590 -6.400 -6.866 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -13.413 -4.998 -4.914 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -14.091 -6.188 -6.008 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -12.762 -7.947 -5.103 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -11.682 -6.830 -4.292 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -14.635 -6.974 -3.607 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -13.462 -8.037 -2.855 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -12.289 -6.217 -1.841 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -13.059 -5.031 -2.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -14.008 -5.011 -0.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -15.179 -5.501 -1.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -14.432 -6.650 -0.788 1.00 0.00 H new ATOM 1584 N VAL A 106 -13.184 -5.787 -8.731 1.00 0.00 N ATOM 1585 CA VAL A 106 -13.856 -5.357 -9.951 1.00 0.00 C ATOM 1586 C VAL A 106 -15.289 -4.924 -9.665 1.00 0.00 C ATOM 1587 O VAL A 106 -16.024 -5.609 -8.954 1.00 0.00 O ATOM 1588 CB VAL A 106 -13.871 -6.476 -11.008 1.00 0.00 C ATOM 1589 CG1 VAL A 106 -14.593 -6.015 -12.265 1.00 0.00 C ATOM 1590 CG2 VAL A 106 -12.453 -6.922 -11.331 1.00 0.00 C ATOM 0 H VAL A 106 -13.020 -6.792 -8.672 1.00 0.00 H new ATOM 0 HA VAL A 106 -13.293 -4.508 -10.340 1.00 0.00 H new ATOM 0 HB VAL A 106 -14.412 -7.330 -10.600 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -14.593 -6.820 -13.000 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -15.621 -5.749 -12.018 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -14.083 -5.145 -12.679 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -12.482 -7.713 -12.080 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -11.885 -6.076 -11.719 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -11.974 -7.296 -10.426 1.00 0.00 H new ATOM 1600 N GLN A 107 -15.680 -3.783 -10.224 1.00 0.00 N ATOM 1601 CA GLN A 107 -17.027 -3.259 -10.029 1.00 0.00 C ATOM 1602 C GLN A 107 -17.591 -2.708 -11.334 1.00 0.00 C ATOM 1603 O GLN A 107 -16.980 -1.852 -11.974 1.00 0.00 O ATOM 1604 CB GLN A 107 -17.021 -2.165 -8.960 1.00 0.00 C ATOM 1605 CG GLN A 107 -16.176 -0.957 -9.330 1.00 0.00 C ATOM 1606 CD GLN A 107 -15.817 -0.105 -8.129 1.00 0.00 C ATOM 1607 OE1 GLN A 107 -14.777 -0.304 -7.500 1.00 0.00 O ATOM 1608 NE2 GLN A 107 -16.678 0.852 -7.803 1.00 0.00 N ATOM 0 H GLN A 107 -15.084 -3.204 -10.815 1.00 0.00 H new ATOM 0 HA GLN A 107 -17.664 -4.079 -9.697 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -18.046 -1.840 -8.779 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -16.650 -2.585 -8.025 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -15.261 -1.294 -9.818 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -16.717 -0.348 -10.054 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -17.528 0.982 -8.352 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -16.489 1.457 -7.004 1.00 0.00 H new ATOM 1617 N VAL A 108 -18.761 -3.204 -11.724 1.00 0.00 N ATOM 1618 CA VAL A 108 -19.408 -2.761 -12.952 1.00 0.00 C ATOM 1619 C VAL A 108 -20.606 -1.868 -12.651 1.00 0.00 C ATOM 1620 O VAL A 108 -21.178 -1.925 -11.562 1.00 0.00 O ATOM 1621 CB VAL A 108 -19.875 -3.957 -13.804 1.00 0.00 C ATOM 1622 CG1 VAL A 108 -18.684 -4.657 -14.440 1.00 0.00 C ATOM 1623 CG2 VAL A 108 -20.686 -4.928 -12.959 1.00 0.00 C ATOM 0 H VAL A 108 -19.280 -3.913 -11.206 1.00 0.00 H new ATOM 0 HA VAL A 108 -18.666 -2.192 -13.513 1.00 0.00 H new ATOM 0 HB VAL A 108 -20.515 -3.584 -14.603 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -19.033 -5.499 -15.038 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -18.148 -3.955 -15.080 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -18.015 -5.019 -13.659 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -21.008 -5.767 -13.576 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -20.071 -5.297 -12.138 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -21.561 -4.417 -12.556 1.00 0.00 H new ATOM 1633 N ALA A 109 -20.982 -1.043 -13.623 1.00 0.00 N ATOM 1634 CA ALA A 109 -22.114 -0.139 -13.463 1.00 0.00 C ATOM 1635 C ALA A 109 -23.366 -0.897 -13.035 1.00 0.00 C ATOM 1636 O ALA A 109 -23.921 -1.701 -13.784 1.00 0.00 O ATOM 1637 CB ALA A 109 -22.371 0.620 -14.757 1.00 0.00 C ATOM 0 H ALA A 109 -20.519 -0.982 -14.530 1.00 0.00 H new ATOM 0 HA ALA A 109 -21.868 0.576 -12.678 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -23.219 1.291 -14.623 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -21.487 1.201 -15.020 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -22.591 -0.088 -15.556 1.00 0.00 H new ATOM 1643 N PRO A 110 -23.823 -0.637 -11.800 1.00 0.00 N ATOM 1644 CA PRO A 110 -25.014 -1.286 -11.245 1.00 0.00 C ATOM 1645 C PRO A 110 -26.297 -0.820 -11.924 1.00 0.00 C ATOM 1646 O PRO A 110 -26.700 0.337 -11.787 1.00 0.00 O ATOM 1647 CB PRO A 110 -25.000 -0.856 -9.776 1.00 0.00 C ATOM 1648 CG PRO A 110 -24.242 0.427 -9.764 1.00 0.00 C ATOM 1649 CD PRO A 110 -23.211 0.309 -10.852 1.00 0.00 C ATOM 0 HA PRO A 110 -24.993 -2.366 -11.387 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -26.012 -0.722 -9.393 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -24.519 -1.606 -9.148 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -24.905 1.273 -9.944 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -23.770 0.592 -8.795 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -23.008 1.272 -11.320 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -22.262 -0.065 -10.468 1.00 0.00 H new ATOM 1657 N LEU A 111 -26.937 -1.725 -12.655 1.00 0.00 N ATOM 1658 CA LEU A 111 -28.176 -1.407 -13.356 1.00 0.00 C ATOM 1659 C LEU A 111 -29.067 -0.508 -12.505 1.00 0.00 C ATOM 1660 O LEU A 111 -29.123 -0.650 -11.283 1.00 0.00 O ATOM 1661 CB LEU A 111 -28.925 -2.691 -13.718 1.00 0.00 C ATOM 1662 CG LEU A 111 -29.677 -3.374 -12.575 1.00 0.00 C ATOM 1663 CD1 LEU A 111 -30.583 -4.471 -13.113 1.00 0.00 C ATOM 1664 CD2 LEU A 111 -28.698 -3.940 -11.556 1.00 0.00 C ATOM 0 H LEU A 111 -26.618 -2.686 -12.778 1.00 0.00 H new ATOM 0 HA LEU A 111 -27.920 -0.873 -14.271 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -29.638 -2.461 -14.509 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -28.209 -3.402 -14.131 1.00 0.00 H new ATOM 0 HG LEU A 111 -30.298 -2.629 -12.078 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -31.110 -4.946 -12.286 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -31.307 -4.039 -13.804 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -29.982 -5.215 -13.636 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -29.250 -4.422 -10.750 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -28.051 -4.671 -12.040 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -28.091 -3.132 -11.147 1.00 0.00 H new ATOM 1676 N SER A 112 -29.764 0.416 -13.159 1.00 0.00 N ATOM 1677 CA SER A 112 -30.652 1.340 -12.462 1.00 0.00 C ATOM 1678 C SER A 112 -31.310 0.661 -11.265 1.00 0.00 C ATOM 1679 O SER A 112 -31.932 -0.392 -11.399 1.00 0.00 O ATOM 1680 CB SER A 112 -31.724 1.868 -13.417 1.00 0.00 C ATOM 1681 OG SER A 112 -31.140 2.558 -14.508 1.00 0.00 O ATOM 0 H SER A 112 -29.731 0.545 -14.170 1.00 0.00 H new ATOM 0 HA SER A 112 -30.055 2.177 -12.100 1.00 0.00 H new ATOM 0 HB2 SER A 112 -32.326 1.038 -13.788 1.00 0.00 H new ATOM 0 HB3 SER A 112 -32.398 2.535 -12.879 1.00 0.00 H new ATOM 0 HG SER A 112 -31.846 2.884 -15.105 1.00 0.00 H new ATOM 1687 N GLY A 113 -31.168 1.273 -10.093 1.00 0.00 N ATOM 1688 CA GLY A 113 -31.754 0.715 -8.888 1.00 0.00 C ATOM 1689 C GLY A 113 -31.840 1.727 -7.763 1.00 0.00 C ATOM 1690 O GLY A 113 -31.392 2.867 -7.888 1.00 0.00 O ATOM 0 H GLY A 113 -30.657 2.145 -9.957 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -32.753 0.341 -9.113 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -31.160 -0.138 -8.560 1.00 0.00 H new ATOM 1694 N PRO A 114 -32.430 1.311 -6.632 1.00 0.00 N ATOM 1695 CA PRO A 114 -32.588 2.174 -5.458 1.00 0.00 C ATOM 1696 C PRO A 114 -31.258 2.470 -4.772 1.00 0.00 C ATOM 1697 O PRO A 114 -31.052 3.560 -4.240 1.00 0.00 O ATOM 1698 CB PRO A 114 -33.495 1.356 -4.536 1.00 0.00 C ATOM 1699 CG PRO A 114 -33.262 -0.060 -4.934 1.00 0.00 C ATOM 1700 CD PRO A 114 -32.987 -0.034 -6.412 1.00 0.00 C ATOM 0 HA PRO A 114 -32.995 3.150 -5.722 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -33.244 1.519 -3.488 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -34.541 1.635 -4.661 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -32.420 -0.486 -4.388 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -34.132 -0.677 -4.710 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -32.283 -0.813 -6.703 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -33.896 -0.192 -6.993 1.00 0.00 H new ATOM 1708 N SER A 115 -30.359 1.491 -4.789 1.00 0.00 N ATOM 1709 CA SER A 115 -29.050 1.645 -4.165 1.00 0.00 C ATOM 1710 C SER A 115 -29.187 1.872 -2.663 1.00 0.00 C ATOM 1711 O SER A 115 -28.487 2.701 -2.082 1.00 0.00 O ATOM 1712 CB SER A 115 -28.293 2.812 -4.801 1.00 0.00 C ATOM 1713 OG SER A 115 -27.549 2.384 -5.929 1.00 0.00 O ATOM 0 H SER A 115 -30.513 0.583 -5.228 1.00 0.00 H new ATOM 0 HA SER A 115 -28.488 0.725 -4.326 1.00 0.00 H new ATOM 0 HB2 SER A 115 -28.998 3.587 -5.100 1.00 0.00 H new ATOM 0 HB3 SER A 115 -27.622 3.257 -4.067 1.00 0.00 H new ATOM 0 HG SER A 115 -27.076 3.149 -6.318 1.00 0.00 H new ATOM 1719 N SER A 116 -30.095 1.128 -2.039 1.00 0.00 N ATOM 1720 CA SER A 116 -30.328 1.249 -0.605 1.00 0.00 C ATOM 1721 C SER A 116 -29.319 0.418 0.182 1.00 0.00 C ATOM 1722 O SER A 116 -29.315 -0.809 0.106 1.00 0.00 O ATOM 1723 CB SER A 116 -31.751 0.805 -0.258 1.00 0.00 C ATOM 1724 OG SER A 116 -32.066 1.109 1.089 1.00 0.00 O ATOM 0 H SER A 116 -30.681 0.435 -2.504 1.00 0.00 H new ATOM 0 HA SER A 116 -30.204 2.296 -0.330 1.00 0.00 H new ATOM 0 HB2 SER A 116 -32.461 1.299 -0.921 1.00 0.00 H new ATOM 0 HB3 SER A 116 -31.852 -0.267 -0.425 1.00 0.00 H new ATOM 0 HG SER A 116 -32.981 0.817 1.285 1.00 0.00 H new ATOM 1730 N GLY A 117 -28.463 1.099 0.938 1.00 0.00 N ATOM 1731 CA GLY A 117 -27.460 0.409 1.728 1.00 0.00 C ATOM 1732 C GLY A 117 -26.047 0.761 1.307 1.00 0.00 C ATOM 1733 O GLY A 117 -25.771 0.933 0.119 1.00 0.00 O ATOM 0 H GLY A 117 -28.446 2.116 1.017 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -27.595 0.659 2.780 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -27.606 -0.667 1.635 1.00 0.00 H new TER 1737 GLY A 117