USER MOD reduce.3.24.130724 H: found=0, std=0, add=871, rem=0, adj=22 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 88:sc= 0 USER MOD Set 1.2: A 88 GLN : amide:sc= -1.72! X(o=-1.7!,f=-1.7) USER MOD Set 2.1: A 73 ASN : amide:sc= 0.547 K(o=-0.62,f=-6.2!) USER MOD Set 2.2: A 92 SER OG : rot -90:sc= -1.17 USER MOD Single : A 1 GLY N :NH3+ 173:sc= 0 (180deg=-0.0251) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 38:sc= 0.139 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.141 K(o=-0.14,f=-1.7!) 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 USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 25:sc= 0.00648 USER MOD Single : A 38 ASN : amide:sc= -1.2! C(o=-1.2!,f=-0.93!) USER MOD Single : A 40 HIS : no HD1:sc= -2.21! C(o=-2.2!,f=-4.3!) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -52:sc= 0.0419 USER MOD Single : A 64 GLN : amide:sc= -1.84 K(o=-1.8,f=-2.5) USER MOD Single : A 66 ASN : amide:sc= -0.157 X(o=-0.16,f=-0.16) USER MOD Single : A 71 MET CE :methyl -120:sc= -0.174 (180deg=-1.72) USER MOD Single : A 77 MET CE :methyl -166:sc= -2.45 (180deg=-2.93!) USER MOD Single : A 82 HIS : no HD1:sc= -0.0349 X(o=-0.035,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -0.109 K(o=-0.11,f=-1.5) USER MOD Single : A 91 LYS NZ :NH3+ -119:sc= 0 (180deg=-0.27) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= -0.0913 (180deg=-0.0913) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 GLN : amide:sc= -0.0176 K(o=-0.018,f=-0.57) USER MOD Single : A 112 SER OG : rot 180:sc= -0.146 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 -5.925 -22.043 -21.438 1.00 0.00 N ATOM 2 CA GLY A 1 -6.903 -23.050 -21.806 1.00 0.00 C ATOM 3 C GLY A 1 -7.444 -23.799 -20.604 1.00 0.00 C ATOM 4 O GLY A 1 -7.613 -25.018 -20.648 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.499 -21.642 -22.298 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.392 -21.287 -20.898 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.182 -22.478 -20.854 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.728 -22.574 -22.335 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.447 -23.759 -22.497 1.00 0.00 H new ATOM 8 N SER A 2 -7.714 -23.070 -19.526 1.00 0.00 N ATOM 9 CA SER A 2 -8.234 -23.674 -18.305 1.00 0.00 C ATOM 10 C SER A 2 -9.756 -23.760 -18.347 1.00 0.00 C ATOM 11 O SER A 2 -10.446 -22.740 -18.375 1.00 0.00 O ATOM 12 CB SER A 2 -7.790 -22.866 -17.083 1.00 0.00 C ATOM 13 OG SER A 2 -8.096 -23.552 -15.881 1.00 0.00 O ATOM 0 H SER A 2 -7.581 -22.060 -19.473 1.00 0.00 H new ATOM 0 HA SER A 2 -7.833 -24.685 -18.229 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.717 -22.679 -17.136 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.283 -21.894 -17.087 1.00 0.00 H new ATOM 0 HG SER A 2 -7.801 -23.017 -15.115 1.00 0.00 H new ATOM 19 N SER A 3 -10.274 -24.984 -18.350 1.00 0.00 N ATOM 20 CA SER A 3 -11.714 -25.205 -18.392 1.00 0.00 C ATOM 21 C SER A 3 -12.123 -26.311 -17.424 1.00 0.00 C ATOM 22 O SER A 3 -11.611 -27.428 -17.489 1.00 0.00 O ATOM 23 CB SER A 3 -12.155 -25.566 -19.812 1.00 0.00 C ATOM 24 OG SER A 3 -11.389 -26.642 -20.326 1.00 0.00 O ATOM 0 H SER A 3 -9.717 -25.838 -18.324 1.00 0.00 H new ATOM 0 HA SER A 3 -12.207 -24.281 -18.090 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.211 -25.835 -19.811 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.049 -24.697 -20.461 1.00 0.00 H new ATOM 0 HG SER A 3 -11.214 -27.289 -19.611 1.00 0.00 H new ATOM 30 N GLY A 4 -13.050 -25.991 -16.526 1.00 0.00 N ATOM 31 CA GLY A 4 -13.512 -26.966 -15.557 1.00 0.00 C ATOM 32 C GLY A 4 -14.510 -26.382 -14.576 1.00 0.00 C ATOM 33 O GLY A 4 -15.601 -26.922 -14.395 1.00 0.00 O ATOM 0 H GLY A 4 -13.489 -25.073 -16.453 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.971 -27.805 -16.081 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.657 -27.362 -15.008 1.00 0.00 H new ATOM 37 N SER A 5 -14.135 -25.276 -13.941 1.00 0.00 N ATOM 38 CA SER A 5 -15.003 -24.621 -12.969 1.00 0.00 C ATOM 39 C SER A 5 -15.055 -23.117 -13.216 1.00 0.00 C ATOM 40 O SER A 5 -14.026 -22.474 -13.422 1.00 0.00 O ATOM 41 CB SER A 5 -14.513 -24.900 -11.547 1.00 0.00 C ATOM 42 OG SER A 5 -14.886 -26.201 -11.125 1.00 0.00 O ATOM 0 H SER A 5 -13.236 -24.815 -14.082 1.00 0.00 H new ATOM 0 HA SER A 5 -16.008 -25.026 -13.084 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.429 -24.798 -11.506 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.929 -24.159 -10.864 1.00 0.00 H new ATOM 0 HG SER A 5 -14.560 -26.355 -10.214 1.00 0.00 H new ATOM 48 N SER A 6 -16.263 -22.561 -13.192 1.00 0.00 N ATOM 49 CA SER A 6 -16.452 -21.133 -13.417 1.00 0.00 C ATOM 50 C SER A 6 -17.264 -20.509 -12.286 1.00 0.00 C ATOM 51 O SER A 6 -18.121 -21.159 -11.690 1.00 0.00 O ATOM 52 CB SER A 6 -17.152 -20.894 -14.756 1.00 0.00 C ATOM 53 OG SER A 6 -18.510 -21.292 -14.700 1.00 0.00 O ATOM 0 H SER A 6 -17.125 -23.078 -13.019 1.00 0.00 H new ATOM 0 HA SER A 6 -15.470 -20.660 -13.440 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.090 -19.838 -15.019 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.639 -21.449 -15.542 1.00 0.00 H new ATOM 0 HG SER A 6 -18.935 -21.127 -15.567 1.00 0.00 H new ATOM 59 N GLY A 7 -16.988 -19.240 -11.998 1.00 0.00 N ATOM 60 CA GLY A 7 -17.701 -18.548 -10.940 1.00 0.00 C ATOM 61 C GLY A 7 -16.800 -18.181 -9.777 1.00 0.00 C ATOM 62 O GLY A 7 -17.059 -18.567 -8.638 1.00 0.00 O ATOM 0 H GLY A 7 -16.284 -18.680 -12.478 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -18.155 -17.643 -11.344 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -18.514 -19.179 -10.581 1.00 0.00 H new ATOM 66 N MET A 8 -15.739 -17.435 -10.066 1.00 0.00 N ATOM 67 CA MET A 8 -14.796 -17.017 -9.034 1.00 0.00 C ATOM 68 C MET A 8 -14.701 -15.496 -8.969 1.00 0.00 C ATOM 69 O MET A 8 -15.153 -14.798 -9.876 1.00 0.00 O ATOM 70 CB MET A 8 -13.414 -17.615 -9.304 1.00 0.00 C ATOM 71 CG MET A 8 -12.749 -17.068 -10.557 1.00 0.00 C ATOM 72 SD MET A 8 -13.160 -18.019 -12.032 1.00 0.00 S ATOM 73 CE MET A 8 -11.979 -19.360 -11.911 1.00 0.00 C ATOM 0 H MET A 8 -15.510 -17.108 -11.005 1.00 0.00 H new ATOM 0 HA MET A 8 -15.161 -17.382 -8.074 1.00 0.00 H new ATOM 0 HB2 MET A 8 -12.770 -17.421 -8.447 1.00 0.00 H new ATOM 0 HB3 MET A 8 -13.507 -18.697 -9.395 1.00 0.00 H new ATOM 0 HG2 MET A 8 -13.052 -16.031 -10.702 1.00 0.00 H new ATOM 0 HG3 MET A 8 -11.668 -17.067 -10.419 1.00 0.00 H new ATOM 0 HE1 MET A 8 -12.108 -20.036 -12.756 1.00 0.00 H new ATOM 0 HE2 MET A 8 -10.967 -18.956 -11.922 1.00 0.00 H new ATOM 0 HE3 MET A 8 -12.142 -19.906 -10.982 1.00 0.00 H new ATOM 83 N GLU A 9 -14.111 -14.990 -7.891 1.00 0.00 N ATOM 84 CA GLU A 9 -13.959 -13.551 -7.709 1.00 0.00 C ATOM 85 C GLU A 9 -12.490 -13.145 -7.784 1.00 0.00 C ATOM 86 O GLU A 9 -11.598 -13.982 -7.655 1.00 0.00 O ATOM 87 CB GLU A 9 -14.550 -13.119 -6.365 1.00 0.00 C ATOM 88 CG GLU A 9 -13.685 -13.489 -5.172 1.00 0.00 C ATOM 89 CD GLU A 9 -14.311 -13.088 -3.850 1.00 0.00 C ATOM 90 OE1 GLU A 9 -15.312 -13.721 -3.453 1.00 0.00 O ATOM 91 OE2 GLU A 9 -13.800 -12.143 -3.214 1.00 0.00 O ATOM 0 H GLU A 9 -13.731 -15.554 -7.131 1.00 0.00 H new ATOM 0 HA GLU A 9 -14.498 -13.050 -8.513 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -14.699 -12.039 -6.374 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -15.533 -13.576 -6.246 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -13.510 -14.565 -5.175 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -12.712 -13.007 -5.270 1.00 0.00 H new ATOM 98 N GLU A 10 -12.248 -11.855 -7.996 1.00 0.00 N ATOM 99 CA GLU A 10 -10.888 -11.339 -8.090 1.00 0.00 C ATOM 100 C GLU A 10 -10.767 -9.992 -7.383 1.00 0.00 C ATOM 101 O GLU A 10 -11.719 -9.514 -6.767 1.00 0.00 O ATOM 102 CB GLU A 10 -10.473 -11.197 -9.556 1.00 0.00 C ATOM 103 CG GLU A 10 -9.822 -12.445 -10.128 1.00 0.00 C ATOM 104 CD GLU A 10 -8.546 -12.823 -9.401 1.00 0.00 C ATOM 105 OE1 GLU A 10 -7.726 -11.921 -9.133 1.00 0.00 O ATOM 106 OE2 GLU A 10 -8.369 -14.022 -9.101 1.00 0.00 O ATOM 0 H GLU A 10 -12.976 -11.149 -8.106 1.00 0.00 H new ATOM 0 HA GLU A 10 -10.223 -12.049 -7.599 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.352 -10.951 -10.151 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.780 -10.361 -9.649 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -10.526 -13.275 -10.073 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -9.600 -12.284 -11.183 1.00 0.00 H new ATOM 113 N VAL A 11 -9.587 -9.386 -7.475 1.00 0.00 N ATOM 114 CA VAL A 11 -9.340 -8.095 -6.845 1.00 0.00 C ATOM 115 C VAL A 11 -8.216 -7.345 -7.551 1.00 0.00 C ATOM 116 O VAL A 11 -7.222 -7.943 -7.965 1.00 0.00 O ATOM 117 CB VAL A 11 -8.979 -8.256 -5.356 1.00 0.00 C ATOM 118 CG1 VAL A 11 -7.654 -8.988 -5.205 1.00 0.00 C ATOM 119 CG2 VAL A 11 -8.930 -6.899 -4.670 1.00 0.00 C ATOM 0 H VAL A 11 -8.788 -9.769 -7.980 1.00 0.00 H new ATOM 0 HA VAL A 11 -10.263 -7.521 -6.927 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.753 -8.853 -4.874 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -7.415 -9.093 -4.147 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -7.730 -9.976 -5.659 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -6.866 -8.421 -5.701 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -8.674 -7.032 -3.619 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -8.177 -6.275 -5.151 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.904 -6.417 -4.748 1.00 0.00 H new ATOM 129 N ILE A 12 -8.380 -6.033 -7.685 1.00 0.00 N ATOM 130 CA ILE A 12 -7.377 -5.202 -8.339 1.00 0.00 C ATOM 131 C ILE A 12 -6.531 -4.452 -7.316 1.00 0.00 C ATOM 132 O ILE A 12 -6.975 -3.463 -6.733 1.00 0.00 O ATOM 133 CB ILE A 12 -8.028 -4.184 -9.295 1.00 0.00 C ATOM 134 CG1 ILE A 12 -9.116 -4.860 -10.131 1.00 0.00 C ATOM 135 CG2 ILE A 12 -6.975 -3.554 -10.194 1.00 0.00 C ATOM 136 CD1 ILE A 12 -9.909 -3.895 -10.984 1.00 0.00 C ATOM 0 H ILE A 12 -9.197 -5.523 -7.350 1.00 0.00 H new ATOM 0 HA ILE A 12 -6.737 -5.872 -8.913 1.00 0.00 H new ATOM 0 HB ILE A 12 -8.490 -3.395 -8.702 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -8.655 -5.608 -10.776 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.798 -5.389 -9.466 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.450 -2.837 -10.864 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -6.233 -3.042 -9.582 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -6.486 -4.331 -10.782 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -10.662 -4.444 -11.549 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -10.399 -3.161 -10.344 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -9.238 -3.384 -11.674 1.00 0.00 H new ATOM 148 N TRP A 13 -5.310 -4.930 -7.103 1.00 0.00 N ATOM 149 CA TRP A 13 -4.400 -4.304 -6.151 1.00 0.00 C ATOM 150 C TRP A 13 -3.756 -3.059 -6.751 1.00 0.00 C ATOM 151 O TRP A 13 -2.854 -3.156 -7.582 1.00 0.00 O ATOM 152 CB TRP A 13 -3.318 -5.296 -5.720 1.00 0.00 C ATOM 153 CG TRP A 13 -3.822 -6.358 -4.791 1.00 0.00 C ATOM 154 CD1 TRP A 13 -4.545 -7.466 -5.128 1.00 0.00 C ATOM 155 CD2 TRP A 13 -3.643 -6.410 -3.371 1.00 0.00 C ATOM 156 NE1 TRP A 13 -4.826 -8.205 -4.004 1.00 0.00 N ATOM 157 CE2 TRP A 13 -4.283 -7.579 -2.913 1.00 0.00 C ATOM 158 CE3 TRP A 13 -3.002 -5.585 -2.443 1.00 0.00 C ATOM 159 CZ2 TRP A 13 -4.300 -7.939 -1.569 1.00 0.00 C ATOM 160 CZ3 TRP A 13 -3.021 -5.944 -1.109 1.00 0.00 C ATOM 161 CH2 TRP A 13 -3.665 -7.113 -0.682 1.00 0.00 C ATOM 0 H TRP A 13 -4.928 -5.749 -7.576 1.00 0.00 H new ATOM 0 HA TRP A 13 -4.978 -4.005 -5.277 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -2.895 -5.769 -6.606 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -2.509 -4.751 -5.233 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -4.851 -7.724 -6.131 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -5.353 -9.078 -3.985 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -2.501 -4.683 -2.763 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -4.797 -8.839 -1.238 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -2.531 -5.313 -0.383 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -3.660 -7.367 0.368 1.00 0.00 H new ATOM 172 N GLU A 14 -4.225 -1.891 -6.324 1.00 0.00 N ATOM 173 CA GLU A 14 -3.693 -0.627 -6.822 1.00 0.00 C ATOM 174 C GLU A 14 -2.611 -0.088 -5.891 1.00 0.00 C ATOM 175 O GLU A 14 -2.718 -0.198 -4.670 1.00 0.00 O ATOM 176 CB GLU A 14 -4.816 0.402 -6.967 1.00 0.00 C ATOM 177 CG GLU A 14 -6.001 -0.100 -7.774 1.00 0.00 C ATOM 178 CD GLU A 14 -6.734 1.018 -8.491 1.00 0.00 C ATOM 179 OE1 GLU A 14 -6.131 2.095 -8.682 1.00 0.00 O ATOM 180 OE2 GLU A 14 -7.910 0.816 -8.860 1.00 0.00 O ATOM 0 H GLU A 14 -4.971 -1.793 -5.635 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.248 -0.809 -7.800 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.160 0.694 -5.975 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.417 1.298 -7.442 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.655 -0.830 -8.506 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.694 -0.617 -7.111 1.00 0.00 H new ATOM 187 N GLN A 15 -1.570 0.493 -6.477 1.00 0.00 N ATOM 188 CA GLN A 15 -0.468 1.048 -5.701 1.00 0.00 C ATOM 189 C GLN A 15 -0.681 2.535 -5.438 1.00 0.00 C ATOM 190 O GLN A 15 -1.079 3.283 -6.332 1.00 0.00 O ATOM 191 CB GLN A 15 0.859 0.832 -6.432 1.00 0.00 C ATOM 192 CG GLN A 15 1.556 -0.465 -6.056 1.00 0.00 C ATOM 193 CD GLN A 15 2.448 -0.990 -7.164 1.00 0.00 C ATOM 194 OE1 GLN A 15 2.192 -0.758 -8.346 1.00 0.00 O ATOM 195 NE2 GLN A 15 3.504 -1.702 -6.787 1.00 0.00 N ATOM 0 H GLN A 15 -1.466 0.592 -7.487 1.00 0.00 H new ATOM 0 HA GLN A 15 -0.435 0.530 -4.743 1.00 0.00 H new ATOM 0 HB2 GLN A 15 0.678 0.839 -7.507 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.524 1.668 -6.216 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.154 -0.305 -5.159 1.00 0.00 H new ATOM 0 HG3 GLN A 15 0.807 -1.218 -5.810 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.678 -1.870 -5.796 1.00 0.00 H new ATOM 0 HE22 GLN A 15 4.141 -2.081 -7.488 1.00 0.00 H new ATOM 204 N TYR A 16 -0.415 2.958 -4.207 1.00 0.00 N ATOM 205 CA TYR A 16 -0.580 4.355 -3.826 1.00 0.00 C ATOM 206 C TYR A 16 0.737 4.945 -3.333 1.00 0.00 C ATOM 207 O TYR A 16 1.214 4.611 -2.248 1.00 0.00 O ATOM 208 CB TYR A 16 -1.650 4.487 -2.740 1.00 0.00 C ATOM 209 CG TYR A 16 -3.014 3.997 -3.171 1.00 0.00 C ATOM 210 CD1 TYR A 16 -3.270 2.640 -3.325 1.00 0.00 C ATOM 211 CD2 TYR A 16 -4.046 4.891 -3.426 1.00 0.00 C ATOM 212 CE1 TYR A 16 -4.514 2.188 -3.719 1.00 0.00 C ATOM 213 CE2 TYR A 16 -5.294 4.448 -3.819 1.00 0.00 C ATOM 214 CZ TYR A 16 -5.523 3.096 -3.964 1.00 0.00 C ATOM 215 OH TYR A 16 -6.765 2.651 -4.357 1.00 0.00 O ATOM 0 H TYR A 16 -0.084 2.353 -3.456 1.00 0.00 H new ATOM 0 HA TYR A 16 -0.898 4.910 -4.709 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -1.333 3.927 -1.860 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -1.726 5.533 -2.442 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.482 1.926 -3.133 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -3.870 5.951 -3.315 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.696 1.130 -3.835 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -6.086 5.157 -4.012 1.00 0.00 H new ATOM 0 HH TYR A 16 -7.361 3.418 -4.487 1.00 0.00 H new ATOM 225 N THR A 17 1.322 5.827 -4.138 1.00 0.00 N ATOM 226 CA THR A 17 2.584 6.464 -3.785 1.00 0.00 C ATOM 227 C THR A 17 2.352 7.834 -3.157 1.00 0.00 C ATOM 228 O THR A 17 2.153 8.825 -3.860 1.00 0.00 O ATOM 229 CB THR A 17 3.496 6.625 -5.016 1.00 0.00 C ATOM 230 OG1 THR A 17 3.593 5.381 -5.719 1.00 0.00 O ATOM 231 CG2 THR A 17 4.884 7.091 -4.605 1.00 0.00 C ATOM 0 H THR A 17 0.941 6.116 -5.039 1.00 0.00 H new ATOM 0 HA THR A 17 3.074 5.813 -3.061 1.00 0.00 H new ATOM 0 HB THR A 17 3.057 7.379 -5.670 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.173 5.492 -6.501 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.509 7.197 -5.491 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.809 8.052 -4.096 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.330 6.358 -3.932 1.00 0.00 H new ATOM 239 N VAL A 18 2.379 7.883 -1.829 1.00 0.00 N ATOM 240 CA VAL A 18 2.173 9.132 -1.105 1.00 0.00 C ATOM 241 C VAL A 18 3.398 9.492 -0.272 1.00 0.00 C ATOM 242 O VAL A 18 4.193 8.625 0.091 1.00 0.00 O ATOM 243 CB VAL A 18 0.943 9.050 -0.182 1.00 0.00 C ATOM 244 CG1 VAL A 18 -0.340 9.168 -0.991 1.00 0.00 C ATOM 245 CG2 VAL A 18 0.962 7.755 0.616 1.00 0.00 C ATOM 0 H VAL A 18 2.542 7.072 -1.232 1.00 0.00 H new ATOM 0 HA VAL A 18 2.005 9.907 -1.852 1.00 0.00 H new ATOM 0 HB VAL A 18 0.980 9.883 0.520 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.199 9.108 -0.322 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.354 10.124 -1.514 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.388 8.357 -1.717 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.086 7.713 1.263 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.949 6.906 -0.068 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.865 7.716 1.225 1.00 0.00 H new ATOM 255 N THR A 19 3.544 10.779 0.031 1.00 0.00 N ATOM 256 CA THR A 19 4.671 11.255 0.821 1.00 0.00 C ATOM 257 C THR A 19 4.225 11.678 2.216 1.00 0.00 C ATOM 258 O THR A 19 3.332 12.513 2.366 1.00 0.00 O ATOM 259 CB THR A 19 5.376 12.442 0.138 1.00 0.00 C ATOM 260 OG1 THR A 19 4.478 13.084 -0.775 1.00 0.00 O ATOM 261 CG2 THR A 19 6.618 11.978 -0.607 1.00 0.00 C ATOM 0 H THR A 19 2.895 11.510 -0.260 1.00 0.00 H new ATOM 0 HA THR A 19 5.372 10.424 0.903 1.00 0.00 H new ATOM 0 HB THR A 19 5.678 13.150 0.910 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.932 13.839 -1.204 1.00 0.00 H new ATOM 0 HG21 THR A 19 7.099 12.834 -1.081 1.00 0.00 H new ATOM 0 HG22 THR A 19 7.312 11.515 0.095 1.00 0.00 H new ATOM 0 HG23 THR A 19 6.335 11.252 -1.370 1.00 0.00 H new ATOM 269 N LEU A 20 4.852 11.099 3.234 1.00 0.00 N ATOM 270 CA LEU A 20 4.519 11.418 4.618 1.00 0.00 C ATOM 271 C LEU A 20 5.517 12.413 5.203 1.00 0.00 C ATOM 272 O LEU A 20 6.693 12.409 4.843 1.00 0.00 O ATOM 273 CB LEU A 20 4.497 10.143 5.464 1.00 0.00 C ATOM 274 CG LEU A 20 3.657 8.989 4.917 1.00 0.00 C ATOM 275 CD1 LEU A 20 4.195 7.656 5.412 1.00 0.00 C ATOM 276 CD2 LEU A 20 2.197 9.157 5.314 1.00 0.00 C ATOM 0 H LEU A 20 5.593 10.407 3.127 1.00 0.00 H new ATOM 0 HA LEU A 20 3.529 11.874 4.632 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.522 9.794 5.585 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.127 10.396 6.457 1.00 0.00 H new ATOM 0 HG LEU A 20 3.721 9.002 3.829 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.584 6.846 5.012 1.00 0.00 H new ATOM 0 HD12 LEU A 20 5.225 7.533 5.078 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.162 7.632 6.501 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.614 8.327 4.916 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.115 9.170 6.401 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.816 10.095 4.910 1.00 0.00 H new ATOM 288 N GLN A 21 5.038 13.261 6.107 1.00 0.00 N ATOM 289 CA GLN A 21 5.889 14.260 6.743 1.00 0.00 C ATOM 290 C GLN A 21 6.072 13.955 8.226 1.00 0.00 C ATOM 291 O GLN A 21 5.100 13.757 8.955 1.00 0.00 O ATOM 292 CB GLN A 21 5.289 15.656 6.568 1.00 0.00 C ATOM 293 CG GLN A 21 4.927 15.987 5.129 1.00 0.00 C ATOM 294 CD GLN A 21 4.174 17.296 5.002 1.00 0.00 C ATOM 295 OE1 GLN A 21 3.805 17.912 6.003 1.00 0.00 O ATOM 296 NE2 GLN A 21 3.941 17.729 3.769 1.00 0.00 N ATOM 0 H GLN A 21 4.066 13.276 6.416 1.00 0.00 H new ATOM 0 HA GLN A 21 6.866 14.228 6.261 1.00 0.00 H new ATOM 0 HB2 GLN A 21 4.395 15.738 7.187 1.00 0.00 H new ATOM 0 HB3 GLN A 21 6.000 16.396 6.935 1.00 0.00 H new ATOM 0 HG2 GLN A 21 5.837 16.037 4.532 1.00 0.00 H new ATOM 0 HG3 GLN A 21 4.319 15.181 4.717 1.00 0.00 H new ATOM 0 HE21 GLN A 21 4.265 17.187 2.968 1.00 0.00 H new ATOM 0 HE22 GLN A 21 3.438 18.604 3.622 1.00 0.00 H new ATOM 305 N LYS A 22 7.325 13.917 8.666 1.00 0.00 N ATOM 306 CA LYS A 22 7.638 13.637 10.062 1.00 0.00 C ATOM 307 C LYS A 22 6.978 14.659 10.983 1.00 0.00 C ATOM 308 O LYS A 22 7.299 15.847 10.938 1.00 0.00 O ATOM 309 CB LYS A 22 9.153 13.644 10.278 1.00 0.00 C ATOM 310 CG LYS A 22 9.616 12.692 11.368 1.00 0.00 C ATOM 311 CD LYS A 22 10.977 12.098 11.048 1.00 0.00 C ATOM 312 CE LYS A 22 11.326 10.960 11.995 1.00 0.00 C ATOM 313 NZ LYS A 22 12.058 11.445 13.198 1.00 0.00 N ATOM 0 H LYS A 22 8.141 14.077 8.075 1.00 0.00 H new ATOM 0 HA LYS A 22 7.247 12.649 10.305 1.00 0.00 H new ATOM 0 HB2 LYS A 22 9.646 13.380 9.343 1.00 0.00 H new ATOM 0 HB3 LYS A 22 9.471 14.655 10.531 1.00 0.00 H new ATOM 0 HG2 LYS A 22 9.664 13.222 12.319 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.887 11.890 11.486 1.00 0.00 H new ATOM 0 HD2 LYS A 22 10.983 11.733 10.021 1.00 0.00 H new ATOM 0 HD3 LYS A 22 11.739 12.875 11.115 1.00 0.00 H new ATOM 0 HE2 LYS A 22 10.413 10.453 12.306 1.00 0.00 H new ATOM 0 HE3 LYS A 22 11.936 10.225 11.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 12.278 10.640 13.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 12.942 11.907 12.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 11.466 12.127 13.713 1.00 0.00 H new ATOM 327 N ASP A 23 6.058 14.189 11.818 1.00 0.00 N ATOM 328 CA ASP A 23 5.355 15.062 12.751 1.00 0.00 C ATOM 329 C ASP A 23 6.171 15.266 14.024 1.00 0.00 C ATOM 330 O ASP A 23 7.281 14.749 14.151 1.00 0.00 O ATOM 331 CB ASP A 23 3.985 14.476 13.097 1.00 0.00 C ATOM 332 CG ASP A 23 2.960 15.548 13.411 1.00 0.00 C ATOM 333 OD1 ASP A 23 2.844 16.507 12.620 1.00 0.00 O ATOM 334 OD2 ASP A 23 2.274 15.428 14.448 1.00 0.00 O ATOM 0 H ASP A 23 5.782 13.208 11.868 1.00 0.00 H new ATOM 0 HA ASP A 23 5.217 16.030 12.270 1.00 0.00 H new ATOM 0 HB2 ASP A 23 3.630 13.871 12.262 1.00 0.00 H new ATOM 0 HB3 ASP A 23 4.084 13.810 13.954 1.00 0.00 H new ATOM 339 N SER A 24 5.614 16.023 14.963 1.00 0.00 N ATOM 340 CA SER A 24 6.292 16.300 16.224 1.00 0.00 C ATOM 341 C SER A 24 7.038 15.066 16.722 1.00 0.00 C ATOM 342 O SER A 24 8.260 14.974 16.603 1.00 0.00 O ATOM 343 CB SER A 24 5.284 16.760 17.279 1.00 0.00 C ATOM 344 OG SER A 24 4.749 18.031 16.953 1.00 0.00 O ATOM 0 H SER A 24 4.695 16.456 14.875 1.00 0.00 H new ATOM 0 HA SER A 24 7.016 17.096 16.051 1.00 0.00 H new ATOM 0 HB2 SER A 24 4.477 16.032 17.358 1.00 0.00 H new ATOM 0 HB3 SER A 24 5.769 16.805 18.254 1.00 0.00 H new ATOM 0 HG SER A 24 4.106 18.302 17.642 1.00 0.00 H new ATOM 350 N LYS A 25 6.294 14.117 17.280 1.00 0.00 N ATOM 351 CA LYS A 25 6.882 12.887 17.796 1.00 0.00 C ATOM 352 C LYS A 25 6.455 11.686 16.957 1.00 0.00 C ATOM 353 O LYS A 25 7.288 10.885 16.534 1.00 0.00 O ATOM 354 CB LYS A 25 6.473 12.674 19.255 1.00 0.00 C ATOM 355 CG LYS A 25 7.285 13.497 20.240 1.00 0.00 C ATOM 356 CD LYS A 25 8.607 12.826 20.571 1.00 0.00 C ATOM 357 CE LYS A 25 9.352 13.572 21.667 1.00 0.00 C ATOM 358 NZ LYS A 25 10.039 14.786 21.144 1.00 0.00 N ATOM 0 H LYS A 25 5.281 14.177 17.386 1.00 0.00 H new ATOM 0 HA LYS A 25 7.966 12.981 17.739 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.418 12.924 19.368 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.579 11.618 19.503 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.473 14.486 19.821 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.710 13.642 21.155 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.426 11.799 20.887 1.00 0.00 H new ATOM 0 HD3 LYS A 25 9.227 12.779 19.675 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.651 13.860 22.451 1.00 0.00 H new ATOM 0 HE3 LYS A 25 10.086 12.908 22.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 10.535 15.266 21.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 10.726 14.509 20.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.336 15.432 20.731 1.00 0.00 H new ATOM 372 N ARG A 26 5.153 11.570 16.719 1.00 0.00 N ATOM 373 CA ARG A 26 4.616 10.467 15.930 1.00 0.00 C ATOM 374 C ARG A 26 5.455 10.236 14.677 1.00 0.00 C ATOM 375 O ARG A 26 5.747 9.098 14.314 1.00 0.00 O ATOM 376 CB ARG A 26 3.164 10.751 15.540 1.00 0.00 C ATOM 377 CG ARG A 26 2.256 11.023 16.728 1.00 0.00 C ATOM 378 CD ARG A 26 2.049 9.773 17.568 1.00 0.00 C ATOM 379 NE ARG A 26 0.901 9.898 18.462 1.00 0.00 N ATOM 380 CZ ARG A 26 0.711 9.128 19.527 1.00 0.00 C ATOM 381 NH1 ARG A 26 1.589 8.181 19.830 1.00 0.00 N ATOM 382 NH2 ARG A 26 -0.359 9.303 20.293 1.00 0.00 N ATOM 0 H ARG A 26 4.450 12.226 17.061 1.00 0.00 H new ATOM 0 HA ARG A 26 4.651 9.565 16.541 1.00 0.00 H new ATOM 0 HB2 ARG A 26 3.138 11.610 14.870 1.00 0.00 H new ATOM 0 HB3 ARG A 26 2.773 9.900 14.982 1.00 0.00 H new ATOM 0 HG2 ARG A 26 2.689 11.810 17.345 1.00 0.00 H new ATOM 0 HG3 ARG A 26 1.292 11.389 16.374 1.00 0.00 H new ATOM 0 HD2 ARG A 26 1.905 8.915 16.911 1.00 0.00 H new ATOM 0 HD3 ARG A 26 2.946 9.578 18.155 1.00 0.00 H new ATOM 0 HE ARG A 26 0.207 10.617 18.257 1.00 0.00 H new ATOM 0 HH11 ARG A 26 2.413 8.043 19.244 1.00 0.00 H new ATOM 0 HH12 ARG A 26 1.441 7.591 20.649 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -1.037 10.030 20.064 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -0.503 8.711 21.111 1.00 0.00 H new ATOM 396 N GLY A 27 5.840 11.326 14.019 1.00 0.00 N ATOM 397 CA GLY A 27 6.641 11.221 12.814 1.00 0.00 C ATOM 398 C GLY A 27 5.806 10.902 11.589 1.00 0.00 C ATOM 399 O GLY A 27 5.325 11.805 10.904 1.00 0.00 O ATOM 0 H GLY A 27 5.611 12.280 14.300 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.174 12.158 12.653 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.394 10.445 12.949 1.00 0.00 H new ATOM 403 N PHE A 28 5.635 9.614 11.311 1.00 0.00 N ATOM 404 CA PHE A 28 4.855 9.178 10.158 1.00 0.00 C ATOM 405 C PHE A 28 3.523 8.577 10.599 1.00 0.00 C ATOM 406 O PHE A 28 2.758 8.069 9.780 1.00 0.00 O ATOM 407 CB PHE A 28 5.644 8.154 9.340 1.00 0.00 C ATOM 408 CG PHE A 28 6.961 8.673 8.840 1.00 0.00 C ATOM 409 CD1 PHE A 28 7.060 9.944 8.297 1.00 0.00 C ATOM 410 CD2 PHE A 28 8.102 7.890 8.913 1.00 0.00 C ATOM 411 CE1 PHE A 28 8.271 10.424 7.836 1.00 0.00 C ATOM 412 CE2 PHE A 28 9.316 8.364 8.453 1.00 0.00 C ATOM 413 CZ PHE A 28 9.401 9.633 7.915 1.00 0.00 C ATOM 0 H PHE A 28 6.026 8.854 11.868 1.00 0.00 H new ATOM 0 HA PHE A 28 4.652 10.050 9.536 1.00 0.00 H new ATOM 0 HB2 PHE A 28 5.820 7.270 9.952 1.00 0.00 H new ATOM 0 HB3 PHE A 28 5.041 7.838 8.489 1.00 0.00 H new ATOM 0 HD1 PHE A 28 6.180 10.567 8.233 1.00 0.00 H new ATOM 0 HD2 PHE A 28 8.042 6.897 9.334 1.00 0.00 H new ATOM 0 HE1 PHE A 28 8.334 11.416 7.414 1.00 0.00 H new ATOM 0 HE2 PHE A 28 10.197 7.743 8.514 1.00 0.00 H new ATOM 0 HZ PHE A 28 10.349 10.006 7.557 1.00 0.00 H new ATOM 423 N GLY A 29 3.254 8.639 11.900 1.00 0.00 N ATOM 424 CA GLY A 29 2.015 8.097 12.427 1.00 0.00 C ATOM 425 C GLY A 29 1.620 6.796 11.757 1.00 0.00 C ATOM 426 O GLY A 29 0.489 6.648 11.294 1.00 0.00 O ATOM 0 H GLY A 29 3.871 9.054 12.598 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.121 7.932 13.499 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.217 8.827 12.294 1.00 0.00 H new ATOM 430 N ILE A 30 2.553 5.852 11.704 1.00 0.00 N ATOM 431 CA ILE A 30 2.296 4.558 11.085 1.00 0.00 C ATOM 432 C ILE A 30 2.999 3.437 11.842 1.00 0.00 C ATOM 433 O ILE A 30 4.071 3.637 12.413 1.00 0.00 O ATOM 434 CB ILE A 30 2.753 4.536 9.615 1.00 0.00 C ATOM 435 CG1 ILE A 30 4.132 5.186 9.478 1.00 0.00 C ATOM 436 CG2 ILE A 30 1.737 5.245 8.733 1.00 0.00 C ATOM 437 CD1 ILE A 30 4.856 4.804 8.205 1.00 0.00 C ATOM 0 H ILE A 30 3.494 5.959 12.082 1.00 0.00 H new ATOM 0 HA ILE A 30 1.218 4.398 11.124 1.00 0.00 H new ATOM 0 HB ILE A 30 2.826 3.499 9.288 1.00 0.00 H new ATOM 0 HG12 ILE A 30 4.019 6.270 9.511 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.745 4.903 10.334 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.075 5.221 7.697 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.773 4.743 8.812 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.634 6.281 9.057 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.826 5.301 8.175 1.00 0.00 H new ATOM 0 HD12 ILE A 30 5.001 3.724 8.179 1.00 0.00 H new ATOM 0 HD13 ILE A 30 4.264 5.112 7.343 1.00 0.00 H new ATOM 449 N ALA A 31 2.390 2.256 11.840 1.00 0.00 N ATOM 450 CA ALA A 31 2.960 1.101 12.523 1.00 0.00 C ATOM 451 C ALA A 31 2.851 -0.154 11.664 1.00 0.00 C ATOM 452 O ALA A 31 1.764 -0.517 11.212 1.00 0.00 O ATOM 453 CB ALA A 31 2.271 0.887 13.863 1.00 0.00 C ATOM 0 H ALA A 31 1.502 2.074 11.373 1.00 0.00 H new ATOM 0 HA ALA A 31 4.017 1.299 12.698 1.00 0.00 H new ATOM 0 HB1 ALA A 31 2.707 0.021 14.362 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.405 1.771 14.486 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.207 0.715 13.702 1.00 0.00 H new ATOM 459 N VAL A 32 3.983 -0.814 11.441 1.00 0.00 N ATOM 460 CA VAL A 32 4.014 -2.029 10.636 1.00 0.00 C ATOM 461 C VAL A 32 4.036 -3.272 11.518 1.00 0.00 C ATOM 462 O VAL A 32 4.478 -3.224 12.666 1.00 0.00 O ATOM 463 CB VAL A 32 5.240 -2.053 9.704 1.00 0.00 C ATOM 464 CG1 VAL A 32 5.143 -0.948 8.664 1.00 0.00 C ATOM 465 CG2 VAL A 32 6.524 -1.927 10.510 1.00 0.00 C ATOM 0 H VAL A 32 4.891 -0.527 11.807 1.00 0.00 H new ATOM 0 HA VAL A 32 3.107 -2.032 10.032 1.00 0.00 H new ATOM 0 HB VAL A 32 5.258 -3.009 9.181 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.018 -0.981 8.015 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.242 -1.089 8.066 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.099 0.019 9.164 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.380 -1.946 9.836 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.517 -0.987 11.061 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.596 -2.758 11.211 1.00 0.00 H new ATOM 475 N SER A 33 3.554 -4.385 10.974 1.00 0.00 N ATOM 476 CA SER A 33 3.514 -5.642 11.713 1.00 0.00 C ATOM 477 C SER A 33 3.779 -6.825 10.787 1.00 0.00 C ATOM 478 O SER A 33 3.322 -6.849 9.645 1.00 0.00 O ATOM 479 CB SER A 33 2.158 -5.811 12.400 1.00 0.00 C ATOM 480 OG SER A 33 2.169 -5.243 13.698 1.00 0.00 O ATOM 0 H SER A 33 3.186 -4.442 10.024 1.00 0.00 H new ATOM 0 HA SER A 33 4.296 -5.614 12.471 1.00 0.00 H new ATOM 0 HB2 SER A 33 1.381 -5.338 11.799 1.00 0.00 H new ATOM 0 HB3 SER A 33 1.910 -6.870 12.465 1.00 0.00 H new ATOM 0 HG SER A 33 2.855 -4.544 13.744 1.00 0.00 H new ATOM 486 N GLY A 34 4.523 -7.806 11.289 1.00 0.00 N ATOM 487 CA GLY A 34 4.837 -8.980 10.494 1.00 0.00 C ATOM 488 C GLY A 34 6.316 -9.314 10.513 1.00 0.00 C ATOM 489 O GLY A 34 6.994 -9.102 11.517 1.00 0.00 O ATOM 0 H GLY A 34 4.914 -7.809 12.231 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.270 -9.832 10.870 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.518 -8.814 9.465 1.00 0.00 H new ATOM 493 N GLY A 35 6.817 -9.839 9.399 1.00 0.00 N ATOM 494 CA GLY A 35 8.220 -10.197 9.314 1.00 0.00 C ATOM 495 C GLY A 35 8.437 -11.542 8.649 1.00 0.00 C ATOM 496 O GLY A 35 7.783 -12.525 8.997 1.00 0.00 O ATOM 0 H GLY A 35 6.276 -10.023 8.554 1.00 0.00 H new ATOM 0 HA2 GLY A 35 8.754 -9.429 8.755 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.648 -10.218 10.316 1.00 0.00 H new ATOM 500 N ARG A 36 9.356 -11.585 7.690 1.00 0.00 N ATOM 501 CA ARG A 36 9.654 -12.819 6.973 1.00 0.00 C ATOM 502 C ARG A 36 9.853 -13.978 7.945 1.00 0.00 C ATOM 503 O ARG A 36 9.751 -15.144 7.565 1.00 0.00 O ATOM 504 CB ARG A 36 10.905 -12.642 6.110 1.00 0.00 C ATOM 505 CG ARG A 36 12.161 -12.342 6.912 1.00 0.00 C ATOM 506 CD ARG A 36 13.417 -12.693 6.131 1.00 0.00 C ATOM 507 NE ARG A 36 13.890 -11.573 5.322 1.00 0.00 N ATOM 508 CZ ARG A 36 15.151 -11.432 4.928 1.00 0.00 C ATOM 509 NH1 ARG A 36 16.060 -12.336 5.266 1.00 0.00 N ATOM 510 NH2 ARG A 36 15.504 -10.385 4.194 1.00 0.00 N ATOM 0 H ARG A 36 9.907 -10.780 7.392 1.00 0.00 H new ATOM 0 HA ARG A 36 8.806 -13.050 6.329 1.00 0.00 H new ATOM 0 HB2 ARG A 36 11.065 -13.549 5.526 1.00 0.00 H new ATOM 0 HB3 ARG A 36 10.735 -11.832 5.401 1.00 0.00 H new ATOM 0 HG2 ARG A 36 12.180 -11.285 7.178 1.00 0.00 H new ATOM 0 HG3 ARG A 36 12.142 -12.906 7.845 1.00 0.00 H new ATOM 0 HD2 ARG A 36 14.202 -12.996 6.824 1.00 0.00 H new ATOM 0 HD3 ARG A 36 13.215 -13.547 5.485 1.00 0.00 H new ATOM 0 HE ARG A 36 13.215 -10.860 5.044 1.00 0.00 H new ATOM 0 HH11 ARG A 36 15.792 -13.143 5.830 1.00 0.00 H new ATOM 0 HH12 ARG A 36 17.027 -12.225 4.962 1.00 0.00 H new ATOM 0 HH21 ARG A 36 14.807 -9.688 3.932 1.00 0.00 H new ATOM 0 HH22 ARG A 36 16.472 -10.277 3.892 1.00 0.00 H new ATOM 524 N ASP A 37 10.138 -13.648 9.200 1.00 0.00 N ATOM 525 CA ASP A 37 10.351 -14.661 10.227 1.00 0.00 C ATOM 526 C ASP A 37 9.203 -14.665 11.233 1.00 0.00 C ATOM 527 O ASP A 37 8.960 -15.664 11.908 1.00 0.00 O ATOM 528 CB ASP A 37 11.677 -14.416 10.949 1.00 0.00 C ATOM 529 CG ASP A 37 12.208 -15.665 11.624 1.00 0.00 C ATOM 530 OD1 ASP A 37 11.434 -16.321 12.353 1.00 0.00 O ATOM 531 OD2 ASP A 37 13.398 -15.986 11.424 1.00 0.00 O ATOM 0 H ASP A 37 10.227 -12.687 9.530 1.00 0.00 H new ATOM 0 HA ASP A 37 10.387 -15.635 9.739 1.00 0.00 H new ATOM 0 HB2 ASP A 37 12.415 -14.051 10.234 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.542 -13.633 11.695 1.00 0.00 H new ATOM 536 N ASN A 38 8.502 -13.540 11.327 1.00 0.00 N ATOM 537 CA ASN A 38 7.381 -13.414 12.251 1.00 0.00 C ATOM 538 C ASN A 38 6.156 -12.840 11.545 1.00 0.00 C ATOM 539 O ASN A 38 5.641 -11.780 11.904 1.00 0.00 O ATOM 540 CB ASN A 38 7.766 -12.522 13.433 1.00 0.00 C ATOM 541 CG ASN A 38 6.572 -12.155 14.294 1.00 0.00 C ATOM 542 OD1 ASN A 38 5.957 -13.018 14.921 1.00 0.00 O ATOM 543 ND2 ASN A 38 6.240 -10.870 14.327 1.00 0.00 N ATOM 0 H ASN A 38 8.690 -12.703 10.775 1.00 0.00 H new ATOM 0 HA ASN A 38 7.133 -14.409 12.620 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.508 -13.035 14.045 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.235 -11.612 13.060 1.00 0.00 H new ATOM 0 HD21 ASN A 38 5.446 -10.563 14.889 1.00 0.00 H new ATOM 0 HD22 ASN A 38 6.779 -10.190 13.791 1.00 0.00 H new ATOM 550 N PRO A 39 5.676 -13.556 10.517 1.00 0.00 N ATOM 551 CA PRO A 39 4.505 -13.138 9.740 1.00 0.00 C ATOM 552 C PRO A 39 3.212 -13.239 10.541 1.00 0.00 C ATOM 553 O PRO A 39 2.457 -14.202 10.402 1.00 0.00 O ATOM 554 CB PRO A 39 4.487 -14.123 8.569 1.00 0.00 C ATOM 555 CG PRO A 39 5.193 -15.332 9.080 1.00 0.00 C ATOM 556 CD PRO A 39 6.239 -14.828 10.035 1.00 0.00 C ATOM 0 HA PRO A 39 4.569 -12.093 9.435 1.00 0.00 H new ATOM 0 HB2 PRO A 39 3.467 -14.359 8.266 1.00 0.00 H new ATOM 0 HB3 PRO A 39 4.992 -13.709 7.696 1.00 0.00 H new ATOM 0 HG2 PRO A 39 4.499 -16.006 9.582 1.00 0.00 H new ATOM 0 HG3 PRO A 39 5.648 -15.893 8.263 1.00 0.00 H new ATOM 0 HD2 PRO A 39 6.407 -15.529 10.853 1.00 0.00 H new ATOM 0 HD3 PRO A 39 7.198 -14.681 9.539 1.00 0.00 H new ATOM 564 N HIS A 40 2.961 -12.239 11.380 1.00 0.00 N ATOM 565 CA HIS A 40 1.757 -12.215 12.203 1.00 0.00 C ATOM 566 C HIS A 40 0.517 -12.501 11.361 1.00 0.00 C ATOM 567 O HIS A 40 -0.408 -13.177 11.810 1.00 0.00 O ATOM 568 CB HIS A 40 1.615 -10.860 12.897 1.00 0.00 C ATOM 569 CG HIS A 40 0.269 -10.643 13.517 1.00 0.00 C ATOM 570 ND1 HIS A 40 -0.903 -10.640 12.790 1.00 0.00 N ATOM 571 CD2 HIS A 40 -0.088 -10.422 14.804 1.00 0.00 C ATOM 572 CE1 HIS A 40 -1.922 -10.425 13.603 1.00 0.00 C ATOM 573 NE2 HIS A 40 -1.454 -10.290 14.831 1.00 0.00 N ATOM 0 H HIS A 40 3.575 -11.435 11.508 1.00 0.00 H new ATOM 0 HA HIS A 40 1.848 -12.994 12.959 1.00 0.00 H new ATOM 0 HB2 HIS A 40 2.380 -10.775 13.669 1.00 0.00 H new ATOM 0 HB3 HIS A 40 1.804 -10.068 12.172 1.00 0.00 H new ATOM 0 HD2 HIS A 40 0.578 -10.361 15.652 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -2.961 -10.369 13.313 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -2.016 -10.116 15.664 1.00 0.00 H new ATOM 582 N PHE A 41 0.506 -11.982 10.137 1.00 0.00 N ATOM 583 CA PHE A 41 -0.620 -12.180 9.233 1.00 0.00 C ATOM 584 C PHE A 41 -1.229 -13.567 9.418 1.00 0.00 C ATOM 585 O PHE A 41 -0.714 -14.557 8.899 1.00 0.00 O ATOM 586 CB PHE A 41 -0.174 -11.997 7.781 1.00 0.00 C ATOM 587 CG PHE A 41 -1.188 -11.290 6.927 1.00 0.00 C ATOM 588 CD1 PHE A 41 -2.370 -11.917 6.570 1.00 0.00 C ATOM 589 CD2 PHE A 41 -0.957 -9.998 6.482 1.00 0.00 C ATOM 590 CE1 PHE A 41 -3.305 -11.269 5.784 1.00 0.00 C ATOM 591 CE2 PHE A 41 -1.889 -9.345 5.697 1.00 0.00 C ATOM 592 CZ PHE A 41 -3.064 -9.982 5.347 1.00 0.00 C ATOM 0 H PHE A 41 1.265 -11.421 9.749 1.00 0.00 H new ATOM 0 HA PHE A 41 -1.379 -11.434 9.470 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.759 -11.434 7.764 1.00 0.00 H new ATOM 0 HB3 PHE A 41 0.036 -12.975 7.348 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -2.564 -12.924 6.909 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.039 -9.496 6.751 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -4.223 -11.769 5.512 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -1.699 -8.338 5.358 1.00 0.00 H new ATOM 0 HZ PHE A 41 -3.793 -9.474 4.733 1.00 0.00 H new ATOM 602 N GLU A 42 -2.328 -13.629 10.163 1.00 0.00 N ATOM 603 CA GLU A 42 -3.007 -14.895 10.419 1.00 0.00 C ATOM 604 C GLU A 42 -2.844 -15.848 9.238 1.00 0.00 C ATOM 605 O GLU A 42 -2.610 -17.042 9.418 1.00 0.00 O ATOM 606 CB GLU A 42 -4.493 -14.656 10.694 1.00 0.00 C ATOM 607 CG GLU A 42 -5.176 -13.796 9.643 1.00 0.00 C ATOM 608 CD GLU A 42 -6.688 -13.842 9.745 1.00 0.00 C ATOM 609 OE1 GLU A 42 -7.219 -13.541 10.835 1.00 0.00 O ATOM 610 OE2 GLU A 42 -7.340 -14.178 8.735 1.00 0.00 O ATOM 0 H GLU A 42 -2.767 -12.819 10.600 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.551 -15.351 11.298 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.003 -15.618 10.751 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.602 -14.179 11.668 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.840 -12.765 9.748 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.872 -14.131 8.651 1.00 0.00 H new ATOM 617 N ASN A 43 -2.969 -15.309 8.029 1.00 0.00 N ATOM 618 CA ASN A 43 -2.836 -16.111 6.818 1.00 0.00 C ATOM 619 C ASN A 43 -1.437 -16.709 6.711 1.00 0.00 C ATOM 620 O ASN A 43 -1.272 -17.927 6.673 1.00 0.00 O ATOM 621 CB ASN A 43 -3.135 -15.259 5.582 1.00 0.00 C ATOM 622 CG ASN A 43 -2.927 -16.024 4.289 1.00 0.00 C ATOM 623 OD1 ASN A 43 -1.965 -15.783 3.560 1.00 0.00 O ATOM 624 ND2 ASN A 43 -3.833 -16.951 3.998 1.00 0.00 N ATOM 0 H ASN A 43 -3.162 -14.321 7.862 1.00 0.00 H new ATOM 0 HA ASN A 43 -3.557 -16.927 6.872 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -4.164 -14.904 5.629 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.493 -14.378 5.587 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -3.747 -17.497 3.141 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -4.615 -17.117 4.632 1.00 0.00 H new ATOM 631 N GLY A 44 -0.430 -15.841 6.665 1.00 0.00 N ATOM 632 CA GLY A 44 0.942 -16.301 6.564 1.00 0.00 C ATOM 633 C GLY A 44 1.728 -15.555 5.504 1.00 0.00 C ATOM 634 O GLY A 44 2.641 -16.109 4.894 1.00 0.00 O ATOM 0 H GLY A 44 -0.541 -14.828 6.696 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.434 -16.180 7.529 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.949 -17.366 6.334 1.00 0.00 H new ATOM 638 N GLU A 45 1.370 -14.294 5.283 1.00 0.00 N ATOM 639 CA GLU A 45 2.047 -13.472 4.287 1.00 0.00 C ATOM 640 C GLU A 45 3.216 -12.714 4.910 1.00 0.00 C ATOM 641 O GLU A 45 3.053 -12.006 5.905 1.00 0.00 O ATOM 642 CB GLU A 45 1.064 -12.484 3.655 1.00 0.00 C ATOM 643 CG GLU A 45 1.644 -11.719 2.476 1.00 0.00 C ATOM 644 CD GLU A 45 1.448 -12.442 1.158 1.00 0.00 C ATOM 645 OE1 GLU A 45 1.360 -13.688 1.171 1.00 0.00 O ATOM 646 OE2 GLU A 45 1.381 -11.761 0.113 1.00 0.00 O ATOM 0 H GLU A 45 0.616 -13.820 5.780 1.00 0.00 H new ATOM 0 HA GLU A 45 2.436 -14.133 3.512 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.178 -13.027 3.325 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.738 -11.773 4.414 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.176 -10.736 2.420 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.709 -11.556 2.642 1.00 0.00 H new ATOM 653 N THR A 46 4.397 -12.869 4.319 1.00 0.00 N ATOM 654 CA THR A 46 5.594 -12.202 4.816 1.00 0.00 C ATOM 655 C THR A 46 5.720 -10.797 4.238 1.00 0.00 C ATOM 656 O THR A 46 6.783 -10.408 3.754 1.00 0.00 O ATOM 657 CB THR A 46 6.865 -13.001 4.475 1.00 0.00 C ATOM 658 OG1 THR A 46 6.909 -13.275 3.070 1.00 0.00 O ATOM 659 CG2 THR A 46 6.908 -14.308 5.253 1.00 0.00 C ATOM 0 H THR A 46 4.550 -13.451 3.495 1.00 0.00 H new ATOM 0 HA THR A 46 5.494 -12.139 5.900 1.00 0.00 H new ATOM 0 HB THR A 46 7.731 -12.401 4.755 1.00 0.00 H new ATOM 0 HG1 THR A 46 7.721 -13.782 2.861 1.00 0.00 H new ATOM 0 HG21 THR A 46 7.815 -14.855 4.995 1.00 0.00 H new ATOM 0 HG22 THR A 46 6.904 -14.095 6.322 1.00 0.00 H new ATOM 0 HG23 THR A 46 6.036 -14.911 5.000 1.00 0.00 H new ATOM 667 N SER A 47 4.630 -10.039 4.294 1.00 0.00 N ATOM 668 CA SER A 47 4.619 -8.677 3.773 1.00 0.00 C ATOM 669 C SER A 47 4.390 -7.668 4.894 1.00 0.00 C ATOM 670 O SER A 47 3.628 -7.922 5.827 1.00 0.00 O ATOM 671 CB SER A 47 3.532 -8.525 2.706 1.00 0.00 C ATOM 672 OG SER A 47 3.828 -9.307 1.562 1.00 0.00 O ATOM 0 H SER A 47 3.743 -10.345 4.695 1.00 0.00 H new ATOM 0 HA SER A 47 5.592 -8.479 3.322 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.569 -8.827 3.118 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.442 -7.477 2.421 1.00 0.00 H new ATOM 0 HG SER A 47 3.118 -9.194 0.896 1.00 0.00 H new ATOM 678 N ILE A 48 5.057 -6.523 4.796 1.00 0.00 N ATOM 679 CA ILE A 48 4.926 -5.475 5.800 1.00 0.00 C ATOM 680 C ILE A 48 3.720 -4.587 5.515 1.00 0.00 C ATOM 681 O ILE A 48 3.703 -3.840 4.536 1.00 0.00 O ATOM 682 CB ILE A 48 6.191 -4.598 5.867 1.00 0.00 C ATOM 683 CG1 ILE A 48 7.440 -5.474 5.986 1.00 0.00 C ATOM 684 CG2 ILE A 48 6.103 -3.630 7.037 1.00 0.00 C ATOM 685 CD1 ILE A 48 7.588 -6.135 7.339 1.00 0.00 C ATOM 0 H ILE A 48 5.693 -6.298 4.031 1.00 0.00 H new ATOM 0 HA ILE A 48 4.788 -5.973 6.759 1.00 0.00 H new ATOM 0 HB ILE A 48 6.263 -4.019 4.946 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.408 -6.245 5.216 1.00 0.00 H new ATOM 0 HG13 ILE A 48 8.322 -4.864 5.790 1.00 0.00 H new ATOM 0 HG21 ILE A 48 7.004 -3.017 7.071 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.232 -2.987 6.913 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.010 -4.191 7.967 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.495 -6.740 7.351 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.652 -5.370 8.113 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.724 -6.772 7.529 1.00 0.00 H new ATOM 697 N VAL A 49 2.712 -4.671 6.378 1.00 0.00 N ATOM 698 CA VAL A 49 1.502 -3.873 6.221 1.00 0.00 C ATOM 699 C VAL A 49 1.315 -2.921 7.397 1.00 0.00 C ATOM 700 O VAL A 49 1.844 -3.152 8.485 1.00 0.00 O ATOM 701 CB VAL A 49 0.254 -4.766 6.093 1.00 0.00 C ATOM 702 CG1 VAL A 49 0.020 -5.154 4.641 1.00 0.00 C ATOM 703 CG2 VAL A 49 0.392 -6.003 6.969 1.00 0.00 C ATOM 0 H VAL A 49 2.710 -5.284 7.193 1.00 0.00 H new ATOM 0 HA VAL A 49 1.621 -3.294 5.305 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.612 -4.200 6.436 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.866 -5.785 4.571 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.127 -4.254 4.043 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.885 -5.701 4.267 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.499 -6.623 6.866 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.268 -6.573 6.659 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.506 -5.701 8.010 1.00 0.00 H new ATOM 713 N ILE A 50 0.560 -1.852 7.171 1.00 0.00 N ATOM 714 CA ILE A 50 0.302 -0.866 8.212 1.00 0.00 C ATOM 715 C ILE A 50 -0.898 -1.266 9.063 1.00 0.00 C ATOM 716 O ILE A 50 -2.044 -1.163 8.626 1.00 0.00 O ATOM 717 CB ILE A 50 0.050 0.531 7.615 1.00 0.00 C ATOM 718 CG1 ILE A 50 1.278 1.005 6.834 1.00 0.00 C ATOM 719 CG2 ILE A 50 -0.299 1.523 8.715 1.00 0.00 C ATOM 720 CD1 ILE A 50 2.462 1.337 7.714 1.00 0.00 C ATOM 0 H ILE A 50 0.116 -1.647 6.276 1.00 0.00 H new ATOM 0 HA ILE A 50 1.193 -0.829 8.839 1.00 0.00 H new ATOM 0 HB ILE A 50 -0.794 0.469 6.928 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.569 0.230 6.125 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.010 1.886 6.251 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.474 2.506 8.277 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.199 1.191 9.232 1.00 0.00 H new ATOM 0 HG23 ILE A 50 0.526 1.584 9.425 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.296 1.666 7.093 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.189 2.133 8.406 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.756 0.452 8.277 1.00 0.00 H new ATOM 732 N SER A 51 -0.627 -1.722 10.282 1.00 0.00 N ATOM 733 CA SER A 51 -1.685 -2.140 11.195 1.00 0.00 C ATOM 734 C SER A 51 -2.063 -1.007 12.144 1.00 0.00 C ATOM 735 O SER A 51 -2.696 -1.231 13.176 1.00 0.00 O ATOM 736 CB SER A 51 -1.241 -3.365 11.997 1.00 0.00 C ATOM 737 OG SER A 51 -2.358 -4.097 12.470 1.00 0.00 O ATOM 0 H SER A 51 0.316 -1.811 10.660 1.00 0.00 H new ATOM 0 HA SER A 51 -2.561 -2.401 10.601 1.00 0.00 H new ATOM 0 HB2 SER A 51 -0.620 -4.007 11.372 1.00 0.00 H new ATOM 0 HB3 SER A 51 -0.626 -3.049 12.840 1.00 0.00 H new ATOM 0 HG SER A 51 -2.965 -3.495 12.948 1.00 0.00 H new ATOM 743 N ASP A 52 -1.670 0.211 11.787 1.00 0.00 N ATOM 744 CA ASP A 52 -1.968 1.381 12.605 1.00 0.00 C ATOM 745 C ASP A 52 -1.781 2.666 11.804 1.00 0.00 C ATOM 746 O ASP A 52 -0.690 2.946 11.306 1.00 0.00 O ATOM 747 CB ASP A 52 -1.073 1.404 13.845 1.00 0.00 C ATOM 748 CG ASP A 52 -1.272 0.185 14.725 1.00 0.00 C ATOM 749 OD1 ASP A 52 -0.656 -0.862 14.435 1.00 0.00 O ATOM 750 OD2 ASP A 52 -2.045 0.278 15.702 1.00 0.00 O ATOM 0 H ASP A 52 -1.144 0.414 10.937 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.010 1.318 12.919 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -0.029 1.459 13.535 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -1.281 2.304 14.423 1.00 0.00 H new ATOM 755 N VAL A 53 -2.852 3.443 11.683 1.00 0.00 N ATOM 756 CA VAL A 53 -2.807 4.698 10.942 1.00 0.00 C ATOM 757 C VAL A 53 -3.361 5.848 11.776 1.00 0.00 C ATOM 758 O VAL A 53 -4.569 6.092 11.791 1.00 0.00 O ATOM 759 CB VAL A 53 -3.601 4.603 9.626 1.00 0.00 C ATOM 760 CG1 VAL A 53 -3.759 5.979 8.997 1.00 0.00 C ATOM 761 CG2 VAL A 53 -2.922 3.641 8.663 1.00 0.00 C ATOM 0 H VAL A 53 -3.762 3.226 12.089 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.759 4.892 10.711 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.595 4.216 9.848 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.323 5.892 8.068 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -4.293 6.635 9.685 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.775 6.398 8.786 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.496 3.586 7.738 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.915 3.996 8.444 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.867 2.651 9.116 1.00 0.00 H new ATOM 771 N LEU A 54 -2.472 6.553 12.467 1.00 0.00 N ATOM 772 CA LEU A 54 -2.872 7.679 13.303 1.00 0.00 C ATOM 773 C LEU A 54 -4.055 8.421 12.688 1.00 0.00 C ATOM 774 O LEU A 54 -3.963 8.993 11.602 1.00 0.00 O ATOM 775 CB LEU A 54 -1.697 8.639 13.496 1.00 0.00 C ATOM 776 CG LEU A 54 -1.544 9.242 14.893 1.00 0.00 C ATOM 777 CD1 LEU A 54 -0.174 9.883 15.051 1.00 0.00 C ATOM 778 CD2 LEU A 54 -2.645 10.259 15.158 1.00 0.00 C ATOM 0 H LEU A 54 -1.470 6.365 12.465 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.177 7.289 14.274 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.777 8.110 13.248 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.799 9.454 12.780 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.633 8.440 15.626 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.084 10.307 16.051 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.599 9.129 14.905 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.055 10.673 14.310 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.521 10.678 16.157 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.587 11.058 14.419 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.617 9.770 15.088 1.00 0.00 H new ATOM 790 N PRO A 55 -5.192 8.415 13.399 1.00 0.00 N ATOM 791 CA PRO A 55 -6.414 9.085 12.944 1.00 0.00 C ATOM 792 C PRO A 55 -6.288 10.604 12.976 1.00 0.00 C ATOM 793 O PRO A 55 -7.245 11.322 12.692 1.00 0.00 O ATOM 794 CB PRO A 55 -7.471 8.615 13.947 1.00 0.00 C ATOM 795 CG PRO A 55 -6.701 8.274 15.176 1.00 0.00 C ATOM 796 CD PRO A 55 -5.373 7.753 14.702 1.00 0.00 C ATOM 0 HA PRO A 55 -6.651 8.841 11.908 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.205 9.396 14.144 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -8.018 7.751 13.570 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -6.572 9.150 15.811 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.225 7.525 15.769 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -4.571 8.006 15.396 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -5.379 6.667 14.604 1.00 0.00 H new ATOM 804 N GLY A 56 -5.099 11.088 13.324 1.00 0.00 N ATOM 805 CA GLY A 56 -4.870 12.519 13.386 1.00 0.00 C ATOM 806 C GLY A 56 -3.437 12.892 13.061 1.00 0.00 C ATOM 807 O GLY A 56 -2.973 13.973 13.419 1.00 0.00 O ATOM 0 H GLY A 56 -4.291 10.514 13.564 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -5.540 13.022 12.688 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -5.119 12.881 14.384 1.00 0.00 H new ATOM 811 N GLY A 57 -2.732 11.992 12.381 1.00 0.00 N ATOM 812 CA GLY A 57 -1.350 12.250 12.021 1.00 0.00 C ATOM 813 C GLY A 57 -1.174 12.494 10.536 1.00 0.00 C ATOM 814 O GLY A 57 -2.136 12.733 9.806 1.00 0.00 O ATOM 0 H GLY A 57 -3.094 11.089 12.073 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.990 13.118 12.574 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.735 11.402 12.322 1.00 0.00 H new ATOM 818 N PRO A 58 0.082 12.437 10.068 1.00 0.00 N ATOM 819 CA PRO A 58 0.411 12.653 8.656 1.00 0.00 C ATOM 820 C PRO A 58 -0.076 11.514 7.767 1.00 0.00 C ATOM 821 O PRO A 58 -0.291 11.698 6.569 1.00 0.00 O ATOM 822 CB PRO A 58 1.940 12.717 8.654 1.00 0.00 C ATOM 823 CG PRO A 58 2.354 11.938 9.854 1.00 0.00 C ATOM 824 CD PRO A 58 1.277 12.158 10.881 1.00 0.00 C ATOM 0 HA PRO A 58 -0.067 13.548 8.258 1.00 0.00 H new ATOM 0 HB2 PRO A 58 2.353 12.287 7.741 1.00 0.00 H new ATOM 0 HB3 PRO A 58 2.293 13.747 8.709 1.00 0.00 H new ATOM 0 HG2 PRO A 58 2.456 10.879 9.616 1.00 0.00 H new ATOM 0 HG3 PRO A 58 3.322 12.276 10.224 1.00 0.00 H new ATOM 0 HD2 PRO A 58 1.138 11.280 11.512 1.00 0.00 H new ATOM 0 HD3 PRO A 58 1.516 12.991 11.542 1.00 0.00 H new ATOM 832 N ALA A 59 -0.248 10.338 8.361 1.00 0.00 N ATOM 833 CA ALA A 59 -0.713 9.170 7.623 1.00 0.00 C ATOM 834 C ALA A 59 -2.223 9.003 7.752 1.00 0.00 C ATOM 835 O ALA A 59 -2.783 7.987 7.339 1.00 0.00 O ATOM 836 CB ALA A 59 0.002 7.919 8.110 1.00 0.00 C ATOM 0 H ALA A 59 -0.072 10.169 9.351 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.480 9.321 6.569 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.355 7.055 7.550 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.076 8.031 7.958 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.201 7.773 9.171 1.00 0.00 H new ATOM 842 N ASP A 60 -2.877 10.005 8.329 1.00 0.00 N ATOM 843 CA ASP A 60 -4.323 9.970 8.513 1.00 0.00 C ATOM 844 C ASP A 60 -5.044 10.400 7.240 1.00 0.00 C ATOM 845 O ASP A 60 -6.010 11.160 7.288 1.00 0.00 O ATOM 846 CB ASP A 60 -4.733 10.874 9.677 1.00 0.00 C ATOM 847 CG ASP A 60 -4.921 12.316 9.251 1.00 0.00 C ATOM 848 OD1 ASP A 60 -4.319 12.718 8.232 1.00 0.00 O ATOM 849 OD2 ASP A 60 -5.670 13.044 9.935 1.00 0.00 O ATOM 0 H ASP A 60 -2.428 10.852 8.678 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.610 8.944 8.742 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -5.661 10.503 10.112 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -3.973 10.825 10.457 1.00 0.00 H new ATOM 854 N GLY A 61 -4.565 9.910 6.100 1.00 0.00 N ATOM 855 CA GLY A 61 -5.175 10.256 4.830 1.00 0.00 C ATOM 856 C GLY A 61 -4.337 9.817 3.645 1.00 0.00 C ATOM 857 O GLY A 61 -4.871 9.480 2.588 1.00 0.00 O ATOM 0 H GLY A 61 -3.766 9.280 6.034 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.160 9.794 4.766 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.326 11.335 4.785 1.00 0.00 H new ATOM 861 N LEU A 62 -3.020 9.821 3.820 1.00 0.00 N ATOM 862 CA LEU A 62 -2.105 9.422 2.757 1.00 0.00 C ATOM 863 C LEU A 62 -2.050 7.903 2.628 1.00 0.00 C ATOM 864 O LEU A 62 -1.949 7.365 1.525 1.00 0.00 O ATOM 865 CB LEU A 62 -0.705 9.973 3.027 1.00 0.00 C ATOM 866 CG LEU A 62 -0.611 11.482 3.263 1.00 0.00 C ATOM 867 CD1 LEU A 62 0.663 11.826 4.018 1.00 0.00 C ATOM 868 CD2 LEU A 62 -0.669 12.232 1.940 1.00 0.00 C ATOM 0 H LEU A 62 -2.562 10.096 4.689 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.476 9.835 1.819 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.298 9.463 3.900 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.066 9.717 2.182 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.462 11.790 3.870 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.712 12.903 4.177 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.663 11.317 4.982 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.528 11.505 3.438 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.601 13.304 2.126 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.162 11.920 1.308 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.610 12.010 1.437 1.00 0.00 H new ATOM 880 N LEU A 63 -2.119 7.216 3.763 1.00 0.00 N ATOM 881 CA LEU A 63 -2.079 5.757 3.778 1.00 0.00 C ATOM 882 C LEU A 63 -3.199 5.191 4.644 1.00 0.00 C ATOM 883 O LEU A 63 -3.771 5.896 5.474 1.00 0.00 O ATOM 884 CB LEU A 63 -0.724 5.270 4.295 1.00 0.00 C ATOM 885 CG LEU A 63 0.486 5.599 3.420 1.00 0.00 C ATOM 886 CD1 LEU A 63 1.779 5.290 4.159 1.00 0.00 C ATOM 887 CD2 LEU A 63 0.422 4.829 2.109 1.00 0.00 C ATOM 0 H LEU A 63 -2.203 7.645 4.685 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.220 5.403 2.757 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.560 5.699 5.284 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.773 4.188 4.421 1.00 0.00 H new ATOM 0 HG LEU A 63 0.467 6.665 3.193 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.629 5.530 3.521 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.829 5.887 5.070 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.807 4.231 4.417 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.291 5.076 1.499 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.416 3.759 2.316 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.487 5.100 1.572 1.00 0.00 H new ATOM 899 N GLN A 64 -3.506 3.913 4.444 1.00 0.00 N ATOM 900 CA GLN A 64 -4.558 3.252 5.208 1.00 0.00 C ATOM 901 C GLN A 64 -4.074 1.912 5.752 1.00 0.00 C ATOM 902 O GLN A 64 -3.039 1.398 5.331 1.00 0.00 O ATOM 903 CB GLN A 64 -5.797 3.044 4.335 1.00 0.00 C ATOM 904 CG GLN A 64 -5.691 1.850 3.402 1.00 0.00 C ATOM 905 CD GLN A 64 -7.015 1.495 2.755 1.00 0.00 C ATOM 906 OE1 GLN A 64 -8.015 2.190 2.938 1.00 0.00 O ATOM 907 NE2 GLN A 64 -7.030 0.408 1.993 1.00 0.00 N ATOM 0 H GLN A 64 -3.042 3.315 3.760 1.00 0.00 H new ATOM 0 HA GLN A 64 -4.819 3.893 6.050 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.667 2.915 4.979 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.969 3.943 3.743 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -4.957 2.065 2.625 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -5.321 0.990 3.960 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -6.178 -0.139 1.868 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -7.893 0.120 1.532 1.00 0.00 H new ATOM 916 N GLU A 65 -4.831 1.352 6.691 1.00 0.00 N ATOM 917 CA GLU A 65 -4.478 0.072 7.293 1.00 0.00 C ATOM 918 C GLU A 65 -4.380 -1.020 6.232 1.00 0.00 C ATOM 919 O GLU A 65 -5.130 -1.023 5.257 1.00 0.00 O ATOM 920 CB GLU A 65 -5.512 -0.321 8.351 1.00 0.00 C ATOM 921 CG GLU A 65 -4.921 -1.084 9.525 1.00 0.00 C ATOM 922 CD GLU A 65 -5.949 -1.936 10.243 1.00 0.00 C ATOM 923 OE1 GLU A 65 -7.091 -1.464 10.424 1.00 0.00 O ATOM 924 OE2 GLU A 65 -5.612 -3.077 10.624 1.00 0.00 O ATOM 0 H GLU A 65 -5.692 1.765 7.051 1.00 0.00 H new ATOM 0 HA GLU A 65 -3.504 0.180 7.769 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -6.000 0.580 8.723 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.284 -0.932 7.883 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.111 -1.721 9.169 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -4.484 -0.377 10.230 1.00 0.00 H new ATOM 931 N ASN A 66 -3.447 -1.946 6.429 1.00 0.00 N ATOM 932 CA ASN A 66 -3.249 -3.043 5.489 1.00 0.00 C ATOM 933 C ASN A 66 -2.633 -2.539 4.187 1.00 0.00 C ATOM 934 O ASN A 66 -2.878 -3.096 3.117 1.00 0.00 O ATOM 935 CB ASN A 66 -4.579 -3.743 5.201 1.00 0.00 C ATOM 936 CG ASN A 66 -5.348 -4.065 6.467 1.00 0.00 C ATOM 937 OD1 ASN A 66 -4.910 -4.875 7.284 1.00 0.00 O ATOM 938 ND2 ASN A 66 -6.503 -3.432 6.635 1.00 0.00 N ATOM 0 H ASN A 66 -2.817 -1.958 7.231 1.00 0.00 H new ATOM 0 HA ASN A 66 -2.562 -3.757 5.942 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -5.190 -3.107 4.560 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -4.390 -4.664 4.650 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -7.065 -3.609 7.467 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -6.828 -2.768 5.932 1.00 0.00 H new ATOM 945 N ASP A 67 -1.834 -1.483 4.287 1.00 0.00 N ATOM 946 CA ASP A 67 -1.182 -0.905 3.118 1.00 0.00 C ATOM 947 C ASP A 67 0.042 -1.723 2.718 1.00 0.00 C ATOM 948 O ASP A 67 1.178 -1.278 2.880 1.00 0.00 O ATOM 949 CB ASP A 67 -0.774 0.542 3.399 1.00 0.00 C ATOM 950 CG ASP A 67 -1.860 1.533 3.029 1.00 0.00 C ATOM 951 OD1 ASP A 67 -3.020 1.103 2.855 1.00 0.00 O ATOM 952 OD2 ASP A 67 -1.551 2.737 2.913 1.00 0.00 O ATOM 0 H ASP A 67 -1.622 -1.010 5.165 1.00 0.00 H new ATOM 0 HA ASP A 67 -1.893 -0.920 2.292 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -0.533 0.650 4.457 1.00 0.00 H new ATOM 0 HB3 ASP A 67 0.132 0.776 2.841 1.00 0.00 H new ATOM 957 N ARG A 68 -0.199 -2.921 2.195 1.00 0.00 N ATOM 958 CA ARG A 68 0.884 -3.802 1.773 1.00 0.00 C ATOM 959 C ARG A 68 2.075 -2.995 1.264 1.00 0.00 C ATOM 960 O ARG A 68 2.128 -2.620 0.093 1.00 0.00 O ATOM 961 CB ARG A 68 0.397 -4.757 0.682 1.00 0.00 C ATOM 962 CG ARG A 68 0.844 -6.195 0.887 1.00 0.00 C ATOM 963 CD ARG A 68 -0.186 -6.992 1.673 1.00 0.00 C ATOM 964 NE ARG A 68 -1.082 -7.742 0.798 1.00 0.00 N ATOM 965 CZ ARG A 68 -1.743 -8.829 1.181 1.00 0.00 C ATOM 966 NH1 ARG A 68 -1.609 -9.290 2.417 1.00 0.00 N ATOM 967 NH2 ARG A 68 -2.540 -9.458 0.326 1.00 0.00 N ATOM 0 H ARG A 68 -1.134 -3.304 2.053 1.00 0.00 H new ATOM 0 HA ARG A 68 1.204 -4.383 2.638 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.692 -4.726 0.643 1.00 0.00 H new ATOM 0 HB3 ARG A 68 0.760 -4.407 -0.284 1.00 0.00 H new ATOM 0 HG2 ARG A 68 1.009 -6.667 -0.081 1.00 0.00 H new ATOM 0 HG3 ARG A 68 1.797 -6.209 1.416 1.00 0.00 H new ATOM 0 HD2 ARG A 68 0.325 -7.681 2.345 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -0.771 -6.314 2.295 1.00 0.00 H new ATOM 0 HE ARG A 68 -1.207 -7.414 -0.160 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -0.997 -8.810 3.077 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -2.118 -10.125 2.708 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -2.645 -9.107 -0.626 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -3.047 -10.292 0.621 1.00 0.00 H new ATOM 981 N VAL A 69 3.028 -2.732 2.152 1.00 0.00 N ATOM 982 CA VAL A 69 4.218 -1.970 1.793 1.00 0.00 C ATOM 983 C VAL A 69 5.097 -2.750 0.822 1.00 0.00 C ATOM 984 O VAL A 69 5.543 -3.857 1.123 1.00 0.00 O ATOM 985 CB VAL A 69 5.047 -1.605 3.039 1.00 0.00 C ATOM 986 CG1 VAL A 69 6.210 -0.700 2.660 1.00 0.00 C ATOM 987 CG2 VAL A 69 4.168 -0.944 4.089 1.00 0.00 C ATOM 0 H VAL A 69 2.999 -3.035 3.125 1.00 0.00 H new ATOM 0 HA VAL A 69 3.875 -1.054 1.313 1.00 0.00 H new ATOM 0 HB VAL A 69 5.454 -2.522 3.464 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.784 -0.453 3.553 1.00 0.00 H new ATOM 0 HG12 VAL A 69 6.853 -1.214 1.946 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.827 0.216 2.210 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.770 -0.693 4.962 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.730 -0.035 3.677 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.373 -1.630 4.382 1.00 0.00 H new ATOM 997 N VAL A 70 5.342 -2.164 -0.346 1.00 0.00 N ATOM 998 CA VAL A 70 6.169 -2.803 -1.363 1.00 0.00 C ATOM 999 C VAL A 70 7.573 -2.209 -1.382 1.00 0.00 C ATOM 1000 O VAL A 70 8.564 -2.929 -1.261 1.00 0.00 O ATOM 1001 CB VAL A 70 5.545 -2.662 -2.764 1.00 0.00 C ATOM 1002 CG1 VAL A 70 6.296 -3.519 -3.772 1.00 0.00 C ATOM 1003 CG2 VAL A 70 4.070 -3.033 -2.730 1.00 0.00 C ATOM 0 H VAL A 70 4.980 -1.248 -0.611 1.00 0.00 H new ATOM 0 HA VAL A 70 6.228 -3.860 -1.105 1.00 0.00 H new ATOM 0 HB VAL A 70 5.627 -1.621 -3.076 1.00 0.00 H new ATOM 0 HG11 VAL A 70 5.841 -3.406 -4.756 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.338 -3.201 -3.816 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.248 -4.565 -3.468 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.645 -2.928 -3.728 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.962 -4.065 -2.397 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.544 -2.372 -2.040 1.00 0.00 H new ATOM 1013 N MET A 71 7.650 -0.891 -1.533 1.00 0.00 N ATOM 1014 CA MET A 71 8.934 -0.200 -1.566 1.00 0.00 C ATOM 1015 C MET A 71 8.913 1.028 -0.661 1.00 0.00 C ATOM 1016 O MET A 71 7.875 1.665 -0.487 1.00 0.00 O ATOM 1017 CB MET A 71 9.279 0.213 -2.998 1.00 0.00 C ATOM 1018 CG MET A 71 10.476 1.145 -3.090 1.00 0.00 C ATOM 1019 SD MET A 71 11.372 0.973 -4.645 1.00 0.00 S ATOM 1020 CE MET A 71 12.375 -0.470 -4.300 1.00 0.00 C ATOM 0 H MET A 71 6.839 -0.280 -1.634 1.00 0.00 H new ATOM 0 HA MET A 71 9.698 -0.887 -1.200 1.00 0.00 H new ATOM 0 HB2 MET A 71 9.480 -0.682 -3.587 1.00 0.00 H new ATOM 0 HB3 MET A 71 8.413 0.702 -3.445 1.00 0.00 H new ATOM 0 HG2 MET A 71 10.138 2.176 -2.982 1.00 0.00 H new ATOM 0 HG3 MET A 71 11.154 0.943 -2.260 1.00 0.00 H new ATOM 0 HE1 MET A 71 13.430 -0.209 -4.386 1.00 0.00 H new ATOM 0 HE2 MET A 71 12.169 -0.823 -3.289 1.00 0.00 H new ATOM 0 HE3 MET A 71 12.137 -1.258 -5.015 1.00 0.00 H new ATOM 1030 N VAL A 72 10.068 1.355 -0.088 1.00 0.00 N ATOM 1031 CA VAL A 72 10.182 2.507 0.798 1.00 0.00 C ATOM 1032 C VAL A 72 11.469 3.279 0.532 1.00 0.00 C ATOM 1033 O VAL A 72 12.555 2.845 0.913 1.00 0.00 O ATOM 1034 CB VAL A 72 10.147 2.082 2.278 1.00 0.00 C ATOM 1035 CG1 VAL A 72 10.415 3.276 3.182 1.00 0.00 C ATOM 1036 CG2 VAL A 72 8.812 1.437 2.615 1.00 0.00 C ATOM 0 H VAL A 72 10.937 0.838 -0.222 1.00 0.00 H new ATOM 0 HA VAL A 72 9.327 3.151 0.593 1.00 0.00 H new ATOM 0 HB VAL A 72 10.933 1.346 2.446 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.386 2.957 4.224 1.00 0.00 H new ATOM 0 HG12 VAL A 72 11.398 3.690 2.956 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.653 4.037 3.015 1.00 0.00 H new ATOM 0 HG21 VAL A 72 8.805 1.143 3.665 1.00 0.00 H new ATOM 0 HG22 VAL A 72 8.007 2.149 2.432 1.00 0.00 H new ATOM 0 HG23 VAL A 72 8.666 0.556 1.990 1.00 0.00 H new ATOM 1046 N ASN A 73 11.339 4.427 -0.125 1.00 0.00 N ATOM 1047 CA ASN A 73 12.492 5.261 -0.442 1.00 0.00 C ATOM 1048 C ASN A 73 13.484 4.506 -1.323 1.00 0.00 C ATOM 1049 O ASN A 73 14.686 4.762 -1.282 1.00 0.00 O ATOM 1050 CB ASN A 73 13.183 5.723 0.842 1.00 0.00 C ATOM 1051 CG ASN A 73 12.583 7.002 1.394 1.00 0.00 C ATOM 1052 OD1 ASN A 73 12.018 7.806 0.652 1.00 0.00 O ATOM 1053 ND2 ASN A 73 12.703 7.196 2.702 1.00 0.00 N ATOM 0 H ASN A 73 10.447 4.801 -0.448 1.00 0.00 H new ATOM 0 HA ASN A 73 12.137 6.134 -0.990 1.00 0.00 H new ATOM 0 HB2 ASN A 73 13.110 4.937 1.594 1.00 0.00 H new ATOM 0 HB3 ASN A 73 14.244 5.878 0.645 1.00 0.00 H new ATOM 0 HD21 ASN A 73 12.319 8.038 3.130 1.00 0.00 H new ATOM 0 HD22 ASN A 73 13.179 6.503 3.279 1.00 0.00 H new ATOM 1060 N GLY A 74 12.969 3.574 -2.119 1.00 0.00 N ATOM 1061 CA GLY A 74 13.823 2.796 -2.998 1.00 0.00 C ATOM 1062 C GLY A 74 14.322 1.523 -2.344 1.00 0.00 C ATOM 1063 O GLY A 74 15.367 0.991 -2.720 1.00 0.00 O ATOM 0 H GLY A 74 11.977 3.344 -2.171 1.00 0.00 H new ATOM 0 HA2 GLY A 74 13.272 2.544 -3.904 1.00 0.00 H new ATOM 0 HA3 GLY A 74 14.676 3.403 -3.302 1.00 0.00 H new ATOM 1067 N THR A 75 13.576 1.033 -1.359 1.00 0.00 N ATOM 1068 CA THR A 75 13.950 -0.184 -0.649 1.00 0.00 C ATOM 1069 C THR A 75 12.805 -1.190 -0.641 1.00 0.00 C ATOM 1070 O THR A 75 11.679 -0.882 -0.249 1.00 0.00 O ATOM 1071 CB THR A 75 14.364 0.119 0.803 1.00 0.00 C ATOM 1072 OG1 THR A 75 15.349 1.157 0.826 1.00 0.00 O ATOM 1073 CG2 THR A 75 14.916 -1.127 1.479 1.00 0.00 C ATOM 0 H THR A 75 12.709 1.461 -1.035 1.00 0.00 H new ATOM 0 HA THR A 75 14.801 -0.612 -1.180 1.00 0.00 H new ATOM 0 HB THR A 75 13.479 0.448 1.349 1.00 0.00 H new ATOM 0 HG1 THR A 75 14.904 2.030 0.858 1.00 0.00 H new ATOM 0 HG21 THR A 75 15.202 -0.889 2.504 1.00 0.00 H new ATOM 0 HG22 THR A 75 14.153 -1.905 1.487 1.00 0.00 H new ATOM 0 HG23 THR A 75 15.790 -1.481 0.932 1.00 0.00 H new ATOM 1081 N PRO A 76 13.096 -2.422 -1.082 1.00 0.00 N ATOM 1082 CA PRO A 76 12.103 -3.500 -1.134 1.00 0.00 C ATOM 1083 C PRO A 76 11.701 -3.985 0.255 1.00 0.00 C ATOM 1084 O PRO A 76 12.536 -4.474 1.017 1.00 0.00 O ATOM 1085 CB PRO A 76 12.824 -4.610 -1.901 1.00 0.00 C ATOM 1086 CG PRO A 76 14.273 -4.353 -1.668 1.00 0.00 C ATOM 1087 CD PRO A 76 14.416 -2.860 -1.564 1.00 0.00 C ATOM 0 HA PRO A 76 11.173 -3.176 -1.601 1.00 0.00 H new ATOM 0 HB2 PRO A 76 12.533 -5.596 -1.537 1.00 0.00 H new ATOM 0 HB3 PRO A 76 12.582 -4.578 -2.963 1.00 0.00 H new ATOM 0 HG2 PRO A 76 14.615 -4.842 -0.756 1.00 0.00 H new ATOM 0 HG3 PRO A 76 14.876 -4.747 -2.486 1.00 0.00 H new ATOM 0 HD2 PRO A 76 15.210 -2.580 -0.871 1.00 0.00 H new ATOM 0 HD3 PRO A 76 14.661 -2.412 -2.527 1.00 0.00 H new ATOM 1095 N MET A 77 10.419 -3.848 0.577 1.00 0.00 N ATOM 1096 CA MET A 77 9.908 -4.275 1.874 1.00 0.00 C ATOM 1097 C MET A 77 9.248 -5.647 1.774 1.00 0.00 C ATOM 1098 O MET A 77 8.546 -6.075 2.689 1.00 0.00 O ATOM 1099 CB MET A 77 8.906 -3.253 2.413 1.00 0.00 C ATOM 1100 CG MET A 77 9.388 -1.815 2.307 1.00 0.00 C ATOM 1101 SD MET A 77 10.361 -1.301 3.735 1.00 0.00 S ATOM 1102 CE MET A 77 12.024 -1.489 3.097 1.00 0.00 C ATOM 0 H MET A 77 9.716 -3.445 -0.042 1.00 0.00 H new ATOM 0 HA MET A 77 10.750 -4.346 2.562 1.00 0.00 H new ATOM 0 HB2 MET A 77 7.968 -3.354 1.868 1.00 0.00 H new ATOM 0 HB3 MET A 77 8.694 -3.480 3.458 1.00 0.00 H new ATOM 0 HG2 MET A 77 9.988 -1.703 1.404 1.00 0.00 H new ATOM 0 HG3 MET A 77 8.527 -1.154 2.202 1.00 0.00 H new ATOM 0 HE1 MET A 77 12.736 -1.453 3.921 1.00 0.00 H new ATOM 0 HE2 MET A 77 12.111 -2.447 2.584 1.00 0.00 H new ATOM 0 HE3 MET A 77 12.238 -0.682 2.396 1.00 0.00 H new ATOM 1112 N GLU A 78 9.480 -6.330 0.657 1.00 0.00 N ATOM 1113 CA GLU A 78 8.906 -7.652 0.439 1.00 0.00 C ATOM 1114 C GLU A 78 9.869 -8.745 0.894 1.00 0.00 C ATOM 1115 O GLU A 78 11.004 -8.823 0.424 1.00 0.00 O ATOM 1116 CB GLU A 78 8.561 -7.845 -1.040 1.00 0.00 C ATOM 1117 CG GLU A 78 9.718 -7.546 -1.979 1.00 0.00 C ATOM 1118 CD GLU A 78 9.604 -8.283 -3.298 1.00 0.00 C ATOM 1119 OE1 GLU A 78 9.631 -9.532 -3.285 1.00 0.00 O ATOM 1120 OE2 GLU A 78 9.487 -7.611 -4.345 1.00 0.00 O ATOM 0 H GLU A 78 10.061 -5.990 -0.110 1.00 0.00 H new ATOM 0 HA GLU A 78 7.994 -7.726 1.031 1.00 0.00 H new ATOM 0 HB2 GLU A 78 8.233 -8.873 -1.197 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.721 -7.200 -1.296 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.759 -6.473 -2.169 1.00 0.00 H new ATOM 0 HG3 GLU A 78 10.655 -7.820 -1.494 1.00 0.00 H new ATOM 1127 N ASP A 79 9.407 -9.586 1.813 1.00 0.00 N ATOM 1128 CA ASP A 79 10.226 -10.675 2.333 1.00 0.00 C ATOM 1129 C ASP A 79 11.394 -10.134 3.151 1.00 0.00 C ATOM 1130 O ASP A 79 12.520 -10.620 3.043 1.00 0.00 O ATOM 1131 CB ASP A 79 10.749 -11.541 1.186 1.00 0.00 C ATOM 1132 CG ASP A 79 10.934 -12.990 1.591 1.00 0.00 C ATOM 1133 OD1 ASP A 79 11.623 -13.240 2.603 1.00 0.00 O ATOM 1134 OD2 ASP A 79 10.390 -13.874 0.898 1.00 0.00 O ATOM 0 H ASP A 79 8.470 -9.535 2.213 1.00 0.00 H new ATOM 0 HA ASP A 79 9.602 -11.287 2.985 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.054 -11.487 0.348 1.00 0.00 H new ATOM 0 HB3 ASP A 79 11.701 -11.140 0.837 1.00 0.00 H new ATOM 1139 N VAL A 80 11.118 -9.124 3.970 1.00 0.00 N ATOM 1140 CA VAL A 80 12.146 -8.516 4.808 1.00 0.00 C ATOM 1141 C VAL A 80 11.778 -8.611 6.284 1.00 0.00 C ATOM 1142 O VAL A 80 10.635 -8.908 6.633 1.00 0.00 O ATOM 1143 CB VAL A 80 12.368 -7.037 4.439 1.00 0.00 C ATOM 1144 CG1 VAL A 80 12.754 -6.904 2.974 1.00 0.00 C ATOM 1145 CG2 VAL A 80 11.123 -6.219 4.747 1.00 0.00 C ATOM 0 H VAL A 80 10.192 -8.709 4.071 1.00 0.00 H new ATOM 0 HA VAL A 80 13.068 -9.069 4.630 1.00 0.00 H new ATOM 0 HB VAL A 80 13.189 -6.649 5.043 1.00 0.00 H new ATOM 0 HG11 VAL A 80 12.907 -5.852 2.732 1.00 0.00 H new ATOM 0 HG12 VAL A 80 13.675 -7.456 2.789 1.00 0.00 H new ATOM 0 HG13 VAL A 80 11.957 -7.308 2.350 1.00 0.00 H new ATOM 0 HG21 VAL A 80 11.297 -5.177 4.480 1.00 0.00 H new ATOM 0 HG22 VAL A 80 10.282 -6.605 4.171 1.00 0.00 H new ATOM 0 HG23 VAL A 80 10.896 -6.288 5.811 1.00 0.00 H new ATOM 1155 N LEU A 81 12.754 -8.356 7.148 1.00 0.00 N ATOM 1156 CA LEU A 81 12.534 -8.412 8.589 1.00 0.00 C ATOM 1157 C LEU A 81 11.778 -7.178 9.073 1.00 0.00 C ATOM 1158 O LEU A 81 11.948 -6.083 8.536 1.00 0.00 O ATOM 1159 CB LEU A 81 13.871 -8.526 9.325 1.00 0.00 C ATOM 1160 CG LEU A 81 14.585 -9.873 9.214 1.00 0.00 C ATOM 1161 CD1 LEU A 81 15.960 -9.803 9.860 1.00 0.00 C ATOM 1162 CD2 LEU A 81 13.750 -10.974 9.851 1.00 0.00 C ATOM 0 H LEU A 81 13.705 -8.108 6.876 1.00 0.00 H new ATOM 0 HA LEU A 81 11.930 -9.293 8.805 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.538 -7.751 8.947 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.701 -8.313 10.380 1.00 0.00 H new ATOM 0 HG LEU A 81 14.714 -10.108 8.157 1.00 0.00 H new ATOM 0 HD11 LEU A 81 16.453 -10.771 9.771 1.00 0.00 H new ATOM 0 HD12 LEU A 81 16.559 -9.043 9.359 1.00 0.00 H new ATOM 0 HD13 LEU A 81 15.854 -9.545 10.914 1.00 0.00 H new ATOM 0 HD21 LEU A 81 14.274 -11.926 9.762 1.00 0.00 H new ATOM 0 HD22 LEU A 81 13.589 -10.745 10.904 1.00 0.00 H new ATOM 0 HD23 LEU A 81 12.788 -11.041 9.343 1.00 0.00 H new ATOM 1174 N HIS A 82 10.944 -7.363 10.091 1.00 0.00 N ATOM 1175 CA HIS A 82 10.164 -6.265 10.650 1.00 0.00 C ATOM 1176 C HIS A 82 11.055 -5.062 10.949 1.00 0.00 C ATOM 1177 O HIS A 82 10.707 -3.925 10.630 1.00 0.00 O ATOM 1178 CB HIS A 82 9.450 -6.715 11.924 1.00 0.00 C ATOM 1179 CG HIS A 82 9.112 -5.588 12.852 1.00 0.00 C ATOM 1180 ND1 HIS A 82 7.986 -4.806 12.708 1.00 0.00 N ATOM 1181 CD2 HIS A 82 9.761 -5.114 13.941 1.00 0.00 C ATOM 1182 CE1 HIS A 82 7.956 -3.899 13.667 1.00 0.00 C ATOM 1183 NE2 HIS A 82 9.022 -4.064 14.430 1.00 0.00 N ATOM 0 H HIS A 82 10.791 -8.263 10.546 1.00 0.00 H new ATOM 0 HA HIS A 82 9.419 -5.968 9.911 1.00 0.00 H new ATOM 0 HB2 HIS A 82 8.533 -7.238 11.651 1.00 0.00 H new ATOM 0 HB3 HIS A 82 10.081 -7.431 12.450 1.00 0.00 H new ATOM 0 HD2 HIS A 82 10.687 -5.491 14.349 1.00 0.00 H new ATOM 0 HE1 HIS A 82 7.190 -3.150 13.804 1.00 0.00 H new ATOM 0 HE2 HIS A 82 9.258 -3.503 15.249 1.00 0.00 H new ATOM 1192 N SER A 83 12.204 -5.322 11.563 1.00 0.00 N ATOM 1193 CA SER A 83 13.143 -4.261 11.909 1.00 0.00 C ATOM 1194 C SER A 83 13.689 -3.588 10.654 1.00 0.00 C ATOM 1195 O SER A 83 14.048 -2.410 10.673 1.00 0.00 O ATOM 1196 CB SER A 83 14.296 -4.823 12.743 1.00 0.00 C ATOM 1197 OG SER A 83 14.834 -3.833 13.602 1.00 0.00 O ATOM 0 H SER A 83 12.508 -6.258 11.831 1.00 0.00 H new ATOM 0 HA SER A 83 12.609 -3.515 12.497 1.00 0.00 H new ATOM 0 HB2 SER A 83 13.943 -5.669 13.334 1.00 0.00 H new ATOM 0 HB3 SER A 83 15.077 -5.199 12.082 1.00 0.00 H new ATOM 0 HG SER A 83 15.568 -4.218 14.125 1.00 0.00 H new ATOM 1203 N PHE A 84 13.749 -4.344 9.563 1.00 0.00 N ATOM 1204 CA PHE A 84 14.251 -3.822 8.297 1.00 0.00 C ATOM 1205 C PHE A 84 13.264 -2.832 7.686 1.00 0.00 C ATOM 1206 O PHE A 84 13.661 -1.829 7.095 1.00 0.00 O ATOM 1207 CB PHE A 84 14.515 -4.968 7.318 1.00 0.00 C ATOM 1208 CG PHE A 84 15.098 -4.515 6.009 1.00 0.00 C ATOM 1209 CD1 PHE A 84 16.455 -4.262 5.891 1.00 0.00 C ATOM 1210 CD2 PHE A 84 14.289 -4.343 4.898 1.00 0.00 C ATOM 1211 CE1 PHE A 84 16.995 -3.846 4.689 1.00 0.00 C ATOM 1212 CE2 PHE A 84 14.823 -3.927 3.693 1.00 0.00 C ATOM 1213 CZ PHE A 84 16.178 -3.678 3.589 1.00 0.00 C ATOM 0 H PHE A 84 13.456 -5.321 9.530 1.00 0.00 H new ATOM 0 HA PHE A 84 15.187 -3.299 8.494 1.00 0.00 H new ATOM 0 HB2 PHE A 84 15.195 -5.682 7.782 1.00 0.00 H new ATOM 0 HB3 PHE A 84 13.580 -5.495 7.127 1.00 0.00 H new ATOM 0 HD1 PHE A 84 17.098 -4.391 6.749 1.00 0.00 H new ATOM 0 HD2 PHE A 84 13.229 -4.536 4.974 1.00 0.00 H new ATOM 0 HE1 PHE A 84 18.055 -3.653 4.610 1.00 0.00 H new ATOM 0 HE2 PHE A 84 14.182 -3.797 2.834 1.00 0.00 H new ATOM 0 HZ PHE A 84 16.597 -3.352 2.649 1.00 0.00 H new ATOM 1223 N ALA A 85 11.976 -3.124 7.834 1.00 0.00 N ATOM 1224 CA ALA A 85 10.931 -2.259 7.298 1.00 0.00 C ATOM 1225 C ALA A 85 10.901 -0.919 8.025 1.00 0.00 C ATOM 1226 O ALA A 85 10.887 0.139 7.396 1.00 0.00 O ATOM 1227 CB ALA A 85 9.577 -2.946 7.397 1.00 0.00 C ATOM 0 H ALA A 85 11.631 -3.952 8.320 1.00 0.00 H new ATOM 0 HA ALA A 85 11.154 -2.068 6.248 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.806 -2.290 6.994 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.598 -3.875 6.827 1.00 0.00 H new ATOM 0 HB3 ALA A 85 9.356 -3.166 8.441 1.00 0.00 H new ATOM 1233 N VAL A 86 10.892 -0.971 9.353 1.00 0.00 N ATOM 1234 CA VAL A 86 10.864 0.239 10.166 1.00 0.00 C ATOM 1235 C VAL A 86 12.151 1.040 10.002 1.00 0.00 C ATOM 1236 O VAL A 86 12.132 2.270 10.007 1.00 0.00 O ATOM 1237 CB VAL A 86 10.663 -0.091 11.657 1.00 0.00 C ATOM 1238 CG1 VAL A 86 11.605 -1.205 12.089 1.00 0.00 C ATOM 1239 CG2 VAL A 86 10.869 1.152 12.509 1.00 0.00 C ATOM 0 H VAL A 86 10.904 -1.839 9.889 1.00 0.00 H new ATOM 0 HA VAL A 86 10.021 0.836 9.818 1.00 0.00 H new ATOM 0 HB VAL A 86 9.639 -0.437 11.800 1.00 0.00 H new ATOM 0 HG11 VAL A 86 11.449 -1.425 13.145 1.00 0.00 H new ATOM 0 HG12 VAL A 86 11.405 -2.100 11.499 1.00 0.00 H new ATOM 0 HG13 VAL A 86 12.637 -0.890 11.933 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.723 0.901 13.560 1.00 0.00 H new ATOM 0 HG22 VAL A 86 11.881 1.530 12.363 1.00 0.00 H new ATOM 0 HG23 VAL A 86 10.150 1.917 12.216 1.00 0.00 H new ATOM 1249 N GLN A 87 13.267 0.333 9.858 1.00 0.00 N ATOM 1250 CA GLN A 87 14.564 0.979 9.694 1.00 0.00 C ATOM 1251 C GLN A 87 14.470 2.148 8.718 1.00 0.00 C ATOM 1252 O GLN A 87 14.794 3.283 9.063 1.00 0.00 O ATOM 1253 CB GLN A 87 15.602 -0.030 9.200 1.00 0.00 C ATOM 1254 CG GLN A 87 17.024 0.304 9.621 1.00 0.00 C ATOM 1255 CD GLN A 87 17.424 -0.373 10.917 1.00 0.00 C ATOM 1256 OE1 GLN A 87 16.640 -0.440 11.863 1.00 0.00 O ATOM 1257 NE2 GLN A 87 18.650 -0.880 10.966 1.00 0.00 N ATOM 0 H GLN A 87 13.299 -0.686 9.852 1.00 0.00 H new ATOM 0 HA GLN A 87 14.875 1.363 10.665 1.00 0.00 H new ATOM 0 HB2 GLN A 87 15.343 -1.019 9.577 1.00 0.00 H new ATOM 0 HB3 GLN A 87 15.557 -0.082 8.112 1.00 0.00 H new ATOM 0 HG2 GLN A 87 17.713 0.004 8.831 1.00 0.00 H new ATOM 0 HG3 GLN A 87 17.121 1.384 9.735 1.00 0.00 H new ATOM 0 HE21 GLN A 87 19.267 -0.802 10.158 1.00 0.00 H new ATOM 0 HE22 GLN A 87 18.975 -1.348 11.812 1.00 0.00 H new ATOM 1266 N GLN A 88 14.025 1.860 7.499 1.00 0.00 N ATOM 1267 CA GLN A 88 13.890 2.887 6.473 1.00 0.00 C ATOM 1268 C GLN A 88 13.109 4.085 7.002 1.00 0.00 C ATOM 1269 O GLN A 88 13.414 5.233 6.675 1.00 0.00 O ATOM 1270 CB GLN A 88 13.193 2.315 5.237 1.00 0.00 C ATOM 1271 CG GLN A 88 13.870 1.074 4.677 1.00 0.00 C ATOM 1272 CD GLN A 88 15.213 1.377 4.044 1.00 0.00 C ATOM 1273 OE1 GLN A 88 15.422 2.458 3.492 1.00 0.00 O ATOM 1274 NE2 GLN A 88 16.133 0.423 4.119 1.00 0.00 N ATOM 0 H GLN A 88 13.752 0.924 7.198 1.00 0.00 H new ATOM 0 HA GLN A 88 14.890 3.221 6.196 1.00 0.00 H new ATOM 0 HB2 GLN A 88 12.161 2.072 5.491 1.00 0.00 H new ATOM 0 HB3 GLN A 88 13.159 3.081 4.462 1.00 0.00 H new ATOM 0 HG2 GLN A 88 14.006 0.347 5.477 1.00 0.00 H new ATOM 0 HG3 GLN A 88 13.218 0.613 3.935 1.00 0.00 H new ATOM 0 HE21 GLN A 88 15.917 -0.458 4.586 1.00 0.00 H new ATOM 0 HE22 GLN A 88 17.056 0.571 3.710 1.00 0.00 H new ATOM 1283 N LEU A 89 12.100 3.812 7.822 1.00 0.00 N ATOM 1284 CA LEU A 89 11.274 4.868 8.397 1.00 0.00 C ATOM 1285 C LEU A 89 12.073 5.705 9.391 1.00 0.00 C ATOM 1286 O LEU A 89 12.072 6.934 9.325 1.00 0.00 O ATOM 1287 CB LEU A 89 10.050 4.266 9.089 1.00 0.00 C ATOM 1288 CG LEU A 89 9.212 3.300 8.250 1.00 0.00 C ATOM 1289 CD1 LEU A 89 8.110 2.678 9.094 1.00 0.00 C ATOM 1290 CD2 LEU A 89 8.623 4.015 7.043 1.00 0.00 C ATOM 0 H LEU A 89 11.834 2.868 8.104 1.00 0.00 H new ATOM 0 HA LEU A 89 10.943 5.517 7.587 1.00 0.00 H new ATOM 0 HB2 LEU A 89 10.385 3.742 9.984 1.00 0.00 H new ATOM 0 HB3 LEU A 89 9.406 5.081 9.419 1.00 0.00 H new ATOM 0 HG LEU A 89 9.862 2.501 7.892 1.00 0.00 H new ATOM 0 HD11 LEU A 89 7.524 1.994 8.480 1.00 0.00 H new ATOM 0 HD12 LEU A 89 8.554 2.131 9.926 1.00 0.00 H new ATOM 0 HD13 LEU A 89 7.461 3.464 9.482 1.00 0.00 H new ATOM 0 HD21 LEU A 89 8.030 3.312 6.458 1.00 0.00 H new ATOM 0 HD22 LEU A 89 7.987 4.834 7.380 1.00 0.00 H new ATOM 0 HD23 LEU A 89 9.429 4.412 6.426 1.00 0.00 H new ATOM 1302 N ARG A 90 12.757 5.030 10.309 1.00 0.00 N ATOM 1303 CA ARG A 90 13.562 5.711 11.316 1.00 0.00 C ATOM 1304 C ARG A 90 14.792 6.355 10.684 1.00 0.00 C ATOM 1305 O ARG A 90 15.403 7.253 11.263 1.00 0.00 O ATOM 1306 CB ARG A 90 13.991 4.728 12.407 1.00 0.00 C ATOM 1307 CG ARG A 90 14.544 3.420 11.865 1.00 0.00 C ATOM 1308 CD ARG A 90 15.094 2.543 12.979 1.00 0.00 C ATOM 1309 NE ARG A 90 14.092 2.267 14.004 1.00 0.00 N ATOM 1310 CZ ARG A 90 14.392 1.925 15.252 1.00 0.00 C ATOM 1311 NH1 ARG A 90 15.659 1.818 15.627 1.00 0.00 N ATOM 1312 NH2 ARG A 90 13.423 1.690 16.128 1.00 0.00 N ATOM 0 H ARG A 90 12.770 4.012 10.376 1.00 0.00 H new ATOM 0 HA ARG A 90 12.952 6.496 11.763 1.00 0.00 H new ATOM 0 HB2 ARG A 90 14.748 5.201 13.033 1.00 0.00 H new ATOM 0 HB3 ARG A 90 13.136 4.513 13.048 1.00 0.00 H new ATOM 0 HG2 ARG A 90 13.758 2.884 11.333 1.00 0.00 H new ATOM 0 HG3 ARG A 90 15.333 3.629 11.142 1.00 0.00 H new ATOM 0 HD2 ARG A 90 15.450 1.603 12.558 1.00 0.00 H new ATOM 0 HD3 ARG A 90 15.954 3.034 13.435 1.00 0.00 H new ATOM 0 HE ARG A 90 13.107 2.341 13.748 1.00 0.00 H new ATOM 0 HH11 ARG A 90 16.406 1.998 14.957 1.00 0.00 H new ATOM 0 HH12 ARG A 90 15.887 1.555 16.586 1.00 0.00 H new ATOM 0 HH21 ARG A 90 12.447 1.772 15.843 1.00 0.00 H new ATOM 0 HH22 ARG A 90 13.654 1.427 17.086 1.00 0.00 H new ATOM 1326 N LYS A 91 15.151 5.890 9.492 1.00 0.00 N ATOM 1327 CA LYS A 91 16.307 6.420 8.780 1.00 0.00 C ATOM 1328 C LYS A 91 15.954 7.715 8.056 1.00 0.00 C ATOM 1329 O LYS A 91 16.697 8.694 8.118 1.00 0.00 O ATOM 1330 CB LYS A 91 16.830 5.389 7.776 1.00 0.00 C ATOM 1331 CG LYS A 91 17.515 4.200 8.427 1.00 0.00 C ATOM 1332 CD LYS A 91 17.682 3.049 7.449 1.00 0.00 C ATOM 1333 CE LYS A 91 18.954 3.194 6.629 1.00 0.00 C ATOM 1334 NZ LYS A 91 18.718 3.948 5.367 1.00 0.00 N ATOM 0 H LYS A 91 14.657 5.146 8.999 1.00 0.00 H new ATOM 0 HA LYS A 91 17.086 6.634 9.512 1.00 0.00 H new ATOM 0 HB2 LYS A 91 15.998 5.031 7.169 1.00 0.00 H new ATOM 0 HB3 LYS A 91 17.532 5.877 7.099 1.00 0.00 H new ATOM 0 HG2 LYS A 91 18.492 4.503 8.804 1.00 0.00 H new ATOM 0 HG3 LYS A 91 16.931 3.868 9.285 1.00 0.00 H new ATOM 0 HD2 LYS A 91 17.706 2.106 7.996 1.00 0.00 H new ATOM 0 HD3 LYS A 91 16.821 3.009 6.782 1.00 0.00 H new ATOM 0 HE2 LYS A 91 19.712 3.706 7.222 1.00 0.00 H new ATOM 0 HE3 LYS A 91 19.349 2.206 6.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 18.944 3.342 4.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 17.720 4.237 5.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 19.325 4.793 5.349 1.00 0.00 H new ATOM 1348 N SER A 92 14.814 7.714 7.372 1.00 0.00 N ATOM 1349 CA SER A 92 14.363 8.889 6.636 1.00 0.00 C ATOM 1350 C SER A 92 14.465 10.143 7.498 1.00 0.00 C ATOM 1351 O SER A 92 14.137 10.124 8.684 1.00 0.00 O ATOM 1352 CB SER A 92 12.921 8.698 6.162 1.00 0.00 C ATOM 1353 OG SER A 92 12.674 9.428 4.973 1.00 0.00 O ATOM 0 H SER A 92 14.186 6.912 7.312 1.00 0.00 H new ATOM 0 HA SER A 92 15.010 9.013 5.768 1.00 0.00 H new ATOM 0 HB2 SER A 92 12.729 7.639 5.989 1.00 0.00 H new ATOM 0 HB3 SER A 92 12.232 9.023 6.942 1.00 0.00 H new ATOM 0 HG SER A 92 12.354 10.326 5.201 1.00 0.00 H new ATOM 1359 N GLY A 93 14.924 11.235 6.892 1.00 0.00 N ATOM 1360 CA GLY A 93 15.062 12.483 7.619 1.00 0.00 C ATOM 1361 C GLY A 93 13.729 13.029 8.091 1.00 0.00 C ATOM 1362 O GLY A 93 13.418 12.985 9.282 1.00 0.00 O ATOM 0 H GLY A 93 15.202 11.277 5.912 1.00 0.00 H new ATOM 0 HA2 GLY A 93 15.713 12.329 8.479 1.00 0.00 H new ATOM 0 HA3 GLY A 93 15.548 13.221 6.980 1.00 0.00 H new ATOM 1366 N LYS A 94 12.940 13.549 7.158 1.00 0.00 N ATOM 1367 CA LYS A 94 11.633 14.107 7.484 1.00 0.00 C ATOM 1368 C LYS A 94 10.571 13.614 6.506 1.00 0.00 C ATOM 1369 O LYS A 94 9.473 13.230 6.909 1.00 0.00 O ATOM 1370 CB LYS A 94 11.689 15.636 7.464 1.00 0.00 C ATOM 1371 CG LYS A 94 10.323 16.294 7.382 1.00 0.00 C ATOM 1372 CD LYS A 94 10.289 17.607 8.147 1.00 0.00 C ATOM 1373 CE LYS A 94 9.830 17.403 9.583 1.00 0.00 C ATOM 1374 NZ LYS A 94 9.800 18.683 10.343 1.00 0.00 N ATOM 0 H LYS A 94 13.183 13.596 6.168 1.00 0.00 H new ATOM 0 HA LYS A 94 11.363 13.772 8.485 1.00 0.00 H new ATOM 0 HB2 LYS A 94 12.197 15.984 8.363 1.00 0.00 H new ATOM 0 HB3 LYS A 94 12.290 15.958 6.613 1.00 0.00 H new ATOM 0 HG2 LYS A 94 10.067 16.474 6.338 1.00 0.00 H new ATOM 0 HG3 LYS A 94 9.568 15.618 7.784 1.00 0.00 H new ATOM 0 HD2 LYS A 94 11.281 18.058 8.142 1.00 0.00 H new ATOM 0 HD3 LYS A 94 9.619 18.305 7.645 1.00 0.00 H new ATOM 0 HE2 LYS A 94 8.836 16.955 9.586 1.00 0.00 H new ATOM 0 HE3 LYS A 94 10.498 16.700 10.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 9.482 18.501 11.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 10.753 19.098 10.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 9.143 19.345 9.882 1.00 0.00 H new ATOM 1388 N ILE A 95 10.906 13.627 5.220 1.00 0.00 N ATOM 1389 CA ILE A 95 9.982 13.179 4.186 1.00 0.00 C ATOM 1390 C ILE A 95 10.421 11.843 3.598 1.00 0.00 C ATOM 1391 O ILE A 95 11.575 11.675 3.203 1.00 0.00 O ATOM 1392 CB ILE A 95 9.864 14.213 3.050 1.00 0.00 C ATOM 1393 CG1 ILE A 95 9.592 15.605 3.624 1.00 0.00 C ATOM 1394 CG2 ILE A 95 8.764 13.810 2.079 1.00 0.00 C ATOM 1395 CD1 ILE A 95 8.261 15.717 4.333 1.00 0.00 C ATOM 0 H ILE A 95 11.810 13.943 4.870 1.00 0.00 H new ATOM 0 HA ILE A 95 9.009 13.061 4.662 1.00 0.00 H new ATOM 0 HB ILE A 95 10.808 14.243 2.506 1.00 0.00 H new ATOM 0 HG12 ILE A 95 10.389 15.864 4.321 1.00 0.00 H new ATOM 0 HG13 ILE A 95 9.626 16.335 2.816 1.00 0.00 H new ATOM 0 HG21 ILE A 95 8.693 14.550 1.282 1.00 0.00 H new ATOM 0 HG22 ILE A 95 8.997 12.836 1.649 1.00 0.00 H new ATOM 0 HG23 ILE A 95 7.813 13.755 2.609 1.00 0.00 H new ATOM 0 HD11 ILE A 95 8.136 16.731 4.714 1.00 0.00 H new ATOM 0 HD12 ILE A 95 7.456 15.490 3.634 1.00 0.00 H new ATOM 0 HD13 ILE A 95 8.230 15.011 5.163 1.00 0.00 H new ATOM 1407 N ALA A 96 9.492 10.894 3.541 1.00 0.00 N ATOM 1408 CA ALA A 96 9.782 9.573 2.997 1.00 0.00 C ATOM 1409 C ALA A 96 8.763 9.181 1.933 1.00 0.00 C ATOM 1410 O ALA A 96 7.612 9.617 1.971 1.00 0.00 O ATOM 1411 CB ALA A 96 9.808 8.537 4.112 1.00 0.00 C ATOM 0 H ALA A 96 8.532 11.016 3.865 1.00 0.00 H new ATOM 0 HA ALA A 96 10.764 9.609 2.526 1.00 0.00 H new ATOM 0 HB1 ALA A 96 10.026 7.555 3.691 1.00 0.00 H new ATOM 0 HB2 ALA A 96 10.579 8.801 4.836 1.00 0.00 H new ATOM 0 HB3 ALA A 96 8.838 8.512 4.608 1.00 0.00 H new ATOM 1417 N ALA A 97 9.193 8.357 0.983 1.00 0.00 N ATOM 1418 CA ALA A 97 8.317 7.906 -0.091 1.00 0.00 C ATOM 1419 C ALA A 97 8.016 6.417 0.034 1.00 0.00 C ATOM 1420 O ALA A 97 8.895 5.578 -0.167 1.00 0.00 O ATOM 1421 CB ALA A 97 8.943 8.209 -1.445 1.00 0.00 C ATOM 0 H ALA A 97 10.143 7.988 0.935 1.00 0.00 H new ATOM 0 HA ALA A 97 7.375 8.448 -0.009 1.00 0.00 H new ATOM 0 HB1 ALA A 97 8.278 7.867 -2.238 1.00 0.00 H new ATOM 0 HB2 ALA A 97 9.100 9.283 -1.541 1.00 0.00 H new ATOM 0 HB3 ALA A 97 9.900 7.694 -1.527 1.00 0.00 H new ATOM 1427 N ILE A 98 6.771 6.095 0.367 1.00 0.00 N ATOM 1428 CA ILE A 98 6.356 4.706 0.518 1.00 0.00 C ATOM 1429 C ILE A 98 5.392 4.296 -0.590 1.00 0.00 C ATOM 1430 O ILE A 98 4.513 5.065 -0.978 1.00 0.00 O ATOM 1431 CB ILE A 98 5.684 4.464 1.883 1.00 0.00 C ATOM 1432 CG1 ILE A 98 6.653 4.797 3.019 1.00 0.00 C ATOM 1433 CG2 ILE A 98 5.207 3.024 1.991 1.00 0.00 C ATOM 1434 CD1 ILE A 98 6.044 4.649 4.396 1.00 0.00 C ATOM 0 H ILE A 98 6.032 6.777 0.537 1.00 0.00 H new ATOM 0 HA ILE A 98 7.259 4.099 0.454 1.00 0.00 H new ATOM 0 HB ILE A 98 4.817 5.120 1.966 1.00 0.00 H new ATOM 0 HG12 ILE A 98 7.525 4.147 2.944 1.00 0.00 H new ATOM 0 HG13 ILE A 98 7.007 5.820 2.895 1.00 0.00 H new ATOM 0 HG21 ILE A 98 4.735 2.869 2.961 1.00 0.00 H new ATOM 0 HG22 ILE A 98 4.486 2.819 1.199 1.00 0.00 H new ATOM 0 HG23 ILE A 98 6.058 2.350 1.890 1.00 0.00 H new ATOM 0 HD11 ILE A 98 6.788 4.901 5.152 1.00 0.00 H new ATOM 0 HD12 ILE A 98 5.190 5.319 4.490 1.00 0.00 H new ATOM 0 HD13 ILE A 98 5.715 3.620 4.540 1.00 0.00 H new ATOM 1446 N VAL A 99 5.562 3.078 -1.095 1.00 0.00 N ATOM 1447 CA VAL A 99 4.706 2.564 -2.157 1.00 0.00 C ATOM 1448 C VAL A 99 3.951 1.321 -1.700 1.00 0.00 C ATOM 1449 O VAL A 99 4.493 0.215 -1.707 1.00 0.00 O ATOM 1450 CB VAL A 99 5.520 2.223 -3.419 1.00 0.00 C ATOM 1451 CG1 VAL A 99 4.593 1.881 -4.576 1.00 0.00 C ATOM 1452 CG2 VAL A 99 6.441 3.376 -3.786 1.00 0.00 C ATOM 0 H VAL A 99 6.285 2.429 -0.785 1.00 0.00 H new ATOM 0 HA VAL A 99 3.992 3.351 -2.397 1.00 0.00 H new ATOM 0 HB VAL A 99 6.136 1.349 -3.208 1.00 0.00 H new ATOM 0 HG11 VAL A 99 5.186 1.643 -5.459 1.00 0.00 H new ATOM 0 HG12 VAL A 99 3.979 1.021 -4.308 1.00 0.00 H new ATOM 0 HG13 VAL A 99 3.949 2.734 -4.791 1.00 0.00 H new ATOM 0 HG21 VAL A 99 7.009 3.118 -4.680 1.00 0.00 H new ATOM 0 HG22 VAL A 99 5.847 4.269 -3.979 1.00 0.00 H new ATOM 0 HG23 VAL A 99 7.129 3.569 -2.963 1.00 0.00 H new ATOM 1462 N VAL A 100 2.696 1.509 -1.305 1.00 0.00 N ATOM 1463 CA VAL A 100 1.865 0.402 -0.847 1.00 0.00 C ATOM 1464 C VAL A 100 0.807 0.042 -1.884 1.00 0.00 C ATOM 1465 O VAL A 100 0.548 0.807 -2.814 1.00 0.00 O ATOM 1466 CB VAL A 100 1.168 0.737 0.485 1.00 0.00 C ATOM 1467 CG1 VAL A 100 2.174 1.265 1.497 1.00 0.00 C ATOM 1468 CG2 VAL A 100 0.047 1.741 0.262 1.00 0.00 C ATOM 0 H VAL A 100 2.232 2.417 -1.293 1.00 0.00 H new ATOM 0 HA VAL A 100 2.528 -0.450 -0.698 1.00 0.00 H new ATOM 0 HB VAL A 100 0.731 -0.178 0.886 1.00 0.00 H new ATOM 0 HG11 VAL A 100 1.663 1.496 2.432 1.00 0.00 H new ATOM 0 HG12 VAL A 100 2.938 0.509 1.679 1.00 0.00 H new ATOM 0 HG13 VAL A 100 2.643 2.168 1.107 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.434 1.966 1.214 1.00 0.00 H new ATOM 0 HG22 VAL A 100 0.458 2.657 -0.162 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -0.687 1.320 -0.425 1.00 0.00 H new ATOM 1478 N LYS A 101 0.198 -1.127 -1.719 1.00 0.00 N ATOM 1479 CA LYS A 101 -0.834 -1.590 -2.640 1.00 0.00 C ATOM 1480 C LYS A 101 -2.069 -2.060 -1.880 1.00 0.00 C ATOM 1481 O LYS A 101 -1.980 -2.918 -1.001 1.00 0.00 O ATOM 1482 CB LYS A 101 -0.295 -2.725 -3.513 1.00 0.00 C ATOM 1483 CG LYS A 101 0.172 -3.933 -2.720 1.00 0.00 C ATOM 1484 CD LYS A 101 0.632 -5.057 -3.634 1.00 0.00 C ATOM 1485 CE LYS A 101 0.865 -6.345 -2.860 1.00 0.00 C ATOM 1486 NZ LYS A 101 2.268 -6.453 -2.373 1.00 0.00 N ATOM 0 H LYS A 101 0.401 -1.772 -0.955 1.00 0.00 H new ATOM 0 HA LYS A 101 -1.119 -0.754 -3.278 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -1.073 -3.037 -4.210 1.00 0.00 H new ATOM 0 HB3 LYS A 101 0.536 -2.350 -4.110 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.989 -3.642 -2.060 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -0.640 -4.288 -2.085 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -0.116 -5.227 -4.408 1.00 0.00 H new ATOM 0 HD3 LYS A 101 1.552 -4.763 -4.139 1.00 0.00 H new ATOM 0 HE2 LYS A 101 0.182 -6.388 -2.012 1.00 0.00 H new ATOM 0 HE3 LYS A 101 0.635 -7.199 -3.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 2.386 -7.344 -1.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 2.919 -6.438 -3.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 2.480 -5.652 -1.744 1.00 0.00 H new ATOM 1500 N ARG A 102 -3.222 -1.496 -2.226 1.00 0.00 N ATOM 1501 CA ARG A 102 -4.476 -1.859 -1.577 1.00 0.00 C ATOM 1502 C ARG A 102 -5.349 -2.694 -2.508 1.00 0.00 C ATOM 1503 O ARG A 102 -5.506 -2.390 -3.691 1.00 0.00 O ATOM 1504 CB ARG A 102 -5.232 -0.602 -1.142 1.00 0.00 C ATOM 1505 CG ARG A 102 -4.407 0.338 -0.279 1.00 0.00 C ATOM 1506 CD ARG A 102 -5.028 1.724 -0.213 1.00 0.00 C ATOM 1507 NE ARG A 102 -4.020 2.769 -0.051 1.00 0.00 N ATOM 1508 CZ ARG A 102 -4.296 3.997 0.374 1.00 0.00 C ATOM 1509 NH1 ARG A 102 -5.542 4.332 0.678 1.00 0.00 N ATOM 1510 NH2 ARG A 102 -3.324 4.892 0.495 1.00 0.00 N ATOM 0 H ARG A 102 -3.313 -0.786 -2.952 1.00 0.00 H new ATOM 0 HA ARG A 102 -4.240 -2.456 -0.696 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -5.568 -0.066 -2.029 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -6.125 -0.898 -0.591 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -4.321 -0.072 0.727 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -3.396 0.410 -0.681 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -5.599 1.909 -1.123 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -5.731 1.767 0.619 1.00 0.00 H new ATOM 0 HE ARG A 102 -3.051 2.543 -0.277 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -6.291 3.646 0.586 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -5.751 5.276 1.004 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -2.364 4.637 0.262 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -3.537 5.835 0.821 1.00 0.00 H new ATOM 1524 N PRO A 103 -5.931 -3.774 -1.964 1.00 0.00 N ATOM 1525 CA PRO A 103 -6.797 -4.675 -2.729 1.00 0.00 C ATOM 1526 C PRO A 103 -8.126 -4.025 -3.101 1.00 0.00 C ATOM 1527 O PRO A 103 -8.930 -3.693 -2.230 1.00 0.00 O ATOM 1528 CB PRO A 103 -7.025 -5.846 -1.770 1.00 0.00 C ATOM 1529 CG PRO A 103 -6.834 -5.266 -0.411 1.00 0.00 C ATOM 1530 CD PRO A 103 -5.787 -4.197 -0.561 1.00 0.00 C ATOM 0 HA PRO A 103 -6.347 -4.965 -3.678 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -8.025 -6.263 -1.885 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -6.319 -6.655 -1.958 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -7.766 -4.849 -0.030 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -6.514 -6.030 0.298 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -5.956 -3.369 0.128 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -4.788 -4.582 -0.358 1.00 0.00 H new ATOM 1538 N ARG A 104 -8.349 -3.848 -4.399 1.00 0.00 N ATOM 1539 CA ARG A 104 -9.580 -3.237 -4.886 1.00 0.00 C ATOM 1540 C ARG A 104 -10.562 -4.301 -5.367 1.00 0.00 C ATOM 1541 O ARG A 104 -10.650 -4.585 -6.562 1.00 0.00 O ATOM 1542 CB ARG A 104 -9.275 -2.258 -6.021 1.00 0.00 C ATOM 1543 CG ARG A 104 -10.255 -1.100 -6.106 1.00 0.00 C ATOM 1544 CD ARG A 104 -10.412 -0.606 -7.536 1.00 0.00 C ATOM 1545 NE ARG A 104 -11.112 0.674 -7.600 1.00 0.00 N ATOM 1546 CZ ARG A 104 -10.559 1.832 -7.256 1.00 0.00 C ATOM 1547 NH1 ARG A 104 -9.305 1.870 -6.827 1.00 0.00 N ATOM 1548 NH2 ARG A 104 -11.261 2.955 -7.342 1.00 0.00 N ATOM 0 H ARG A 104 -7.694 -4.119 -5.132 1.00 0.00 H new ATOM 0 HA ARG A 104 -10.037 -2.693 -4.060 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -8.268 -1.862 -5.887 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -9.282 -2.799 -6.967 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -11.225 -1.414 -5.720 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -9.909 -0.282 -5.473 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -9.428 -0.504 -7.994 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -10.959 -1.348 -8.118 1.00 0.00 H new ATOM 0 HE ARG A 104 -12.078 0.679 -7.927 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -8.762 1.009 -6.760 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -8.883 2.760 -6.564 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -12.226 2.929 -7.672 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -10.836 3.844 -7.078 1.00 0.00 H new ATOM 1562 N LYS A 105 -11.298 -4.888 -4.430 1.00 0.00 N ATOM 1563 CA LYS A 105 -12.274 -5.921 -4.757 1.00 0.00 C ATOM 1564 C LYS A 105 -13.208 -5.454 -5.869 1.00 0.00 C ATOM 1565 O LYS A 105 -13.703 -4.327 -5.845 1.00 0.00 O ATOM 1566 CB LYS A 105 -13.088 -6.294 -3.516 1.00 0.00 C ATOM 1567 CG LYS A 105 -12.390 -7.294 -2.609 1.00 0.00 C ATOM 1568 CD LYS A 105 -12.857 -7.162 -1.170 1.00 0.00 C ATOM 1569 CE LYS A 105 -11.872 -7.800 -0.203 1.00 0.00 C ATOM 1570 NZ LYS A 105 -12.179 -9.237 0.035 1.00 0.00 N ATOM 0 H LYS A 105 -11.237 -4.666 -3.436 1.00 0.00 H new ATOM 0 HA LYS A 105 -11.732 -6.800 -5.106 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -13.304 -5.389 -2.948 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -14.046 -6.708 -3.831 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -12.584 -8.306 -2.964 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -11.312 -7.140 -2.658 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -12.981 -6.108 -0.922 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -13.834 -7.632 -1.059 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -10.861 -7.706 -0.600 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -11.894 -7.262 0.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -11.485 -9.635 0.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -13.134 -9.326 0.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -12.133 -9.756 -0.865 1.00 0.00 H new ATOM 1584 N VAL A 106 -13.447 -6.328 -6.841 1.00 0.00 N ATOM 1585 CA VAL A 106 -14.324 -6.005 -7.960 1.00 0.00 C ATOM 1586 C VAL A 106 -15.766 -5.833 -7.496 1.00 0.00 C ATOM 1587 O VAL A 106 -16.605 -6.708 -7.708 1.00 0.00 O ATOM 1588 CB VAL A 106 -14.273 -7.096 -9.046 1.00 0.00 C ATOM 1589 CG1 VAL A 106 -15.077 -6.674 -10.266 1.00 0.00 C ATOM 1590 CG2 VAL A 106 -12.832 -7.401 -9.427 1.00 0.00 C ATOM 0 H VAL A 106 -13.046 -7.265 -6.876 1.00 0.00 H new ATOM 0 HA VAL A 106 -13.966 -5.066 -8.382 1.00 0.00 H new ATOM 0 HB VAL A 106 -14.719 -8.005 -8.644 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -15.029 -7.458 -11.022 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -16.116 -6.510 -9.978 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -14.663 -5.751 -10.673 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -12.815 -8.174 -10.195 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -12.358 -6.497 -9.810 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -12.290 -7.750 -8.549 1.00 0.00 H new ATOM 1600 N GLN A 107 -16.047 -4.698 -6.863 1.00 0.00 N ATOM 1601 CA GLN A 107 -17.388 -4.412 -6.369 1.00 0.00 C ATOM 1602 C GLN A 107 -17.647 -2.909 -6.339 1.00 0.00 C ATOM 1603 O GLN A 107 -16.719 -2.106 -6.433 1.00 0.00 O ATOM 1604 CB GLN A 107 -17.576 -5.002 -4.971 1.00 0.00 C ATOM 1605 CG GLN A 107 -18.093 -6.432 -4.978 1.00 0.00 C ATOM 1606 CD GLN A 107 -17.933 -7.118 -3.636 1.00 0.00 C ATOM 1607 OE1 GLN A 107 -16.892 -7.003 -2.988 1.00 0.00 O ATOM 1608 NE2 GLN A 107 -18.966 -7.836 -3.211 1.00 0.00 N ATOM 0 H GLN A 107 -15.364 -3.963 -6.681 1.00 0.00 H new ATOM 0 HA GLN A 107 -18.105 -4.873 -7.049 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -16.624 -4.971 -4.442 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -18.271 -4.376 -4.412 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -19.146 -6.432 -5.258 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -17.561 -7.003 -5.739 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -19.809 -7.904 -3.781 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -18.916 -8.320 -2.314 1.00 0.00 H new ATOM 1617 N VAL A 108 -18.916 -2.535 -6.206 1.00 0.00 N ATOM 1618 CA VAL A 108 -19.298 -1.128 -6.162 1.00 0.00 C ATOM 1619 C VAL A 108 -20.458 -0.903 -5.199 1.00 0.00 C ATOM 1620 O VAL A 108 -21.241 -1.814 -4.932 1.00 0.00 O ATOM 1621 CB VAL A 108 -19.695 -0.611 -7.558 1.00 0.00 C ATOM 1622 CG1 VAL A 108 -18.519 -0.704 -8.517 1.00 0.00 C ATOM 1623 CG2 VAL A 108 -20.891 -1.385 -8.091 1.00 0.00 C ATOM 0 H VAL A 108 -19.697 -3.187 -6.127 1.00 0.00 H new ATOM 0 HA VAL A 108 -18.427 -0.574 -5.812 1.00 0.00 H new ATOM 0 HB VAL A 108 -19.979 0.438 -7.471 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -18.819 -0.334 -9.498 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -17.693 -0.102 -8.139 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -18.201 -1.743 -8.603 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -21.158 -1.007 -9.078 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -20.637 -2.442 -8.164 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -21.736 -1.261 -7.414 1.00 0.00 H new ATOM 1633 N ALA A 109 -20.562 0.316 -4.682 1.00 0.00 N ATOM 1634 CA ALA A 109 -21.628 0.662 -3.750 1.00 0.00 C ATOM 1635 C ALA A 109 -22.419 1.869 -4.244 1.00 0.00 C ATOM 1636 O ALA A 109 -21.883 2.771 -4.887 1.00 0.00 O ATOM 1637 CB ALA A 109 -21.053 0.935 -2.368 1.00 0.00 C ATOM 0 H ALA A 109 -19.921 1.081 -4.893 1.00 0.00 H new ATOM 0 HA ALA A 109 -22.311 -0.185 -3.686 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -21.860 1.192 -1.682 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -20.539 0.045 -2.006 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -20.347 1.764 -2.425 1.00 0.00 H new ATOM 1643 N PRO A 110 -23.724 1.888 -3.937 1.00 0.00 N ATOM 1644 CA PRO A 110 -24.616 2.979 -4.341 1.00 0.00 C ATOM 1645 C PRO A 110 -24.322 4.275 -3.593 1.00 0.00 C ATOM 1646 O PRO A 110 -23.759 4.258 -2.498 1.00 0.00 O ATOM 1647 CB PRO A 110 -26.007 2.454 -3.974 1.00 0.00 C ATOM 1648 CG PRO A 110 -25.765 1.473 -2.879 1.00 0.00 C ATOM 1649 CD PRO A 110 -24.430 0.846 -3.173 1.00 0.00 C ATOM 0 HA PRO A 110 -24.504 3.228 -5.396 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -26.661 3.262 -3.645 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -26.490 1.981 -4.829 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -25.759 1.966 -1.907 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -26.552 0.719 -2.849 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -23.897 0.588 -2.258 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -24.536 -0.073 -3.750 1.00 0.00 H new ATOM 1657 N LEU A 111 -24.706 5.397 -4.191 1.00 0.00 N ATOM 1658 CA LEU A 111 -24.484 6.704 -3.581 1.00 0.00 C ATOM 1659 C LEU A 111 -25.487 6.959 -2.461 1.00 0.00 C ATOM 1660 O LEU A 111 -26.410 6.173 -2.249 1.00 0.00 O ATOM 1661 CB LEU A 111 -24.589 7.806 -4.637 1.00 0.00 C ATOM 1662 CG LEU A 111 -25.933 7.921 -5.356 1.00 0.00 C ATOM 1663 CD1 LEU A 111 -26.967 8.576 -4.453 1.00 0.00 C ATOM 1664 CD2 LEU A 111 -25.780 8.704 -6.651 1.00 0.00 C ATOM 0 H LEU A 111 -25.173 5.429 -5.097 1.00 0.00 H new ATOM 0 HA LEU A 111 -23.481 6.713 -3.154 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -24.373 8.761 -4.159 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -23.813 7.640 -5.384 1.00 0.00 H new ATOM 0 HG LEU A 111 -26.279 6.917 -5.601 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -27.917 8.649 -4.982 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -27.098 7.974 -3.553 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -26.628 9.574 -4.176 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -26.747 8.776 -7.149 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -25.411 9.705 -6.429 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -25.072 8.193 -7.304 1.00 0.00 H new ATOM 1676 N SER A 112 -25.300 8.066 -1.748 1.00 0.00 N ATOM 1677 CA SER A 112 -26.188 8.425 -0.648 1.00 0.00 C ATOM 1678 C SER A 112 -26.319 9.940 -0.528 1.00 0.00 C ATOM 1679 O SER A 112 -25.566 10.690 -1.147 1.00 0.00 O ATOM 1680 CB SER A 112 -25.668 7.841 0.667 1.00 0.00 C ATOM 1681 OG SER A 112 -26.579 8.078 1.726 1.00 0.00 O ATOM 0 H SER A 112 -24.542 8.729 -1.912 1.00 0.00 H new ATOM 0 HA SER A 112 -27.173 8.008 -0.858 1.00 0.00 H new ATOM 0 HB2 SER A 112 -25.508 6.769 0.554 1.00 0.00 H new ATOM 0 HB3 SER A 112 -24.702 8.284 0.908 1.00 0.00 H new ATOM 0 HG SER A 112 -26.224 7.694 2.555 1.00 0.00 H new ATOM 1687 N GLY A 113 -27.282 10.383 0.274 1.00 0.00 N ATOM 1688 CA GLY A 113 -27.496 11.806 0.461 1.00 0.00 C ATOM 1689 C GLY A 113 -27.407 12.219 1.917 1.00 0.00 C ATOM 1690 O GLY A 113 -27.107 11.411 2.797 1.00 0.00 O ATOM 0 H GLY A 113 -27.918 9.782 0.798 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -26.756 12.361 -0.117 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -28.476 12.078 0.069 1.00 0.00 H new ATOM 1694 N PRO A 114 -27.672 13.505 2.189 1.00 0.00 N ATOM 1695 CA PRO A 114 -27.627 14.053 3.548 1.00 0.00 C ATOM 1696 C PRO A 114 -28.764 13.533 4.421 1.00 0.00 C ATOM 1697 O PRO A 114 -29.937 13.763 4.130 1.00 0.00 O ATOM 1698 CB PRO A 114 -27.769 15.561 3.327 1.00 0.00 C ATOM 1699 CG PRO A 114 -28.488 15.688 2.029 1.00 0.00 C ATOM 1700 CD PRO A 114 -28.037 14.524 1.190 1.00 0.00 C ATOM 0 HA PRO A 114 -26.714 13.769 4.072 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -28.329 16.029 4.137 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -26.795 16.049 3.289 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -29.568 15.667 2.177 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -28.251 16.634 1.543 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -28.830 14.173 0.530 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -27.189 14.789 0.558 1.00 0.00 H new ATOM 1708 N SER A 115 -28.407 12.832 5.492 1.00 0.00 N ATOM 1709 CA SER A 115 -29.398 12.276 6.407 1.00 0.00 C ATOM 1710 C SER A 115 -29.171 12.782 7.828 1.00 0.00 C ATOM 1711 O SER A 115 -28.032 12.948 8.264 1.00 0.00 O ATOM 1712 CB SER A 115 -29.345 10.748 6.382 1.00 0.00 C ATOM 1713 OG SER A 115 -28.084 10.275 6.824 1.00 0.00 O ATOM 0 H SER A 115 -27.439 12.635 5.748 1.00 0.00 H new ATOM 0 HA SER A 115 -30.384 12.603 6.078 1.00 0.00 H new ATOM 0 HB2 SER A 115 -30.132 10.343 7.018 1.00 0.00 H new ATOM 0 HB3 SER A 115 -29.537 10.391 5.370 1.00 0.00 H new ATOM 0 HG SER A 115 -28.076 9.295 6.801 1.00 0.00 H new ATOM 1719 N SER A 116 -30.263 13.026 8.545 1.00 0.00 N ATOM 1720 CA SER A 116 -30.184 13.517 9.916 1.00 0.00 C ATOM 1721 C SER A 116 -31.241 12.852 10.792 1.00 0.00 C ATOM 1722 O SER A 116 -32.265 12.380 10.300 1.00 0.00 O ATOM 1723 CB SER A 116 -30.361 15.036 9.947 1.00 0.00 C ATOM 1724 OG SER A 116 -29.879 15.581 11.163 1.00 0.00 O ATOM 0 H SER A 116 -31.213 12.892 8.199 1.00 0.00 H new ATOM 0 HA SER A 116 -29.199 13.265 10.310 1.00 0.00 H new ATOM 0 HB2 SER A 116 -29.829 15.484 9.108 1.00 0.00 H new ATOM 0 HB3 SER A 116 -31.415 15.285 9.826 1.00 0.00 H new ATOM 0 HG SER A 116 -30.002 16.553 11.157 1.00 0.00 H new ATOM 1730 N GLY A 117 -30.984 12.820 12.097 1.00 0.00 N ATOM 1731 CA GLY A 117 -31.921 12.211 13.022 1.00 0.00 C ATOM 1732 C GLY A 117 -32.301 13.141 14.158 1.00 0.00 C ATOM 1733 O GLY A 117 -33.462 13.194 14.564 1.00 0.00 O ATOM 0 H GLY A 117 -30.144 13.205 12.529 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -32.820 11.916 12.482 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -31.483 11.301 13.432 1.00 0.00 H new TER 1737 GLY A 117