USER MOD reduce.3.24.130724 H: found=0, std=0, add=1084, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1084 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 47 CYS SG : rot 5:sc= -2.47! USER MOD Set 1.2: A 51 GLN : amide:sc= -1.19! K(o=-9!,f=-6.7) USER MOD Set 1.3: A 101 MET CE :methyl -172:sc= -1.01 (180deg=-1.18) USER MOD Set 1.4: A 106 GLN : amide:sc= -4.29! C(o=-9!,f=-9.2!) USER MOD Single : A 1 SER N :NH3+ 143:sc= 1.17 (180deg=0.359) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0295 USER MOD Single : A 2 MET CE :methyl -143:sc= -0.243 (180deg=-0.931) USER MOD Single : A 3 THR OG1 : rot 48:sc= 0.226 USER MOD Single : A 6 GLN : amide:sc= -0.787 K(o=-0.79,f=-0.033) USER MOD Single : A 10 SER OG : rot -77:sc= 1.7 USER MOD Single : A 14 SER OG : rot 166:sc= -0.376 USER MOD Single : A 20 GLN : amide:sc= -1.6! C(o=-1.6!,f=-2!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -37:sc= 0.0831 USER MOD Single : A 33 LYS NZ :NH3+ 167:sc= -0.0473 (180deg=-0.221) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -161:sc= -1.84 USER MOD Single : A 40 ASN : amide:sc= -2.6 K(o=-2.6,f=-6.3!) USER MOD Single : A 42 THR OG1 : rot 80:sc= 0.579 USER MOD Single : A 45 LYS NZ :NH3+ 169:sc= 1.19 (180deg=0.813) USER MOD Single : A 52 GLN : amide:sc= -1.19 K(o=-1.2,f=-5.7!) USER MOD Single : A 56 SER OG : rot 180:sc= -0.319 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 60 GLN : amide:sc= 0.147 X(o=0.15,f=-0.23) USER MOD Single : A 63 GLN : amide:sc= -0.0851 X(o=-0.085,f=-0.085) USER MOD Single : A 67 ASN : amide:sc= -0.602 K(o=-0.6,f=-3.2!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 74 SER OG : rot 58:sc= -1.58! USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.896 K(o=-0.9,f=0) USER MOD Single : A 79 SER OG : rot 52:sc= 0.267 USER MOD Single : A 82 ASN : amide:sc= -0.977 K(o=-0.98,f=-0.025) USER MOD Single : A 86 GLN : amide:sc= -0.0265 X(o=-0.026,f=-0.44) USER MOD Single : A 105 GLN : amide:sc= 0.12 K(o=0.12,f=-4.3!) USER MOD Single : A 108 GLN : amide:sc= 0.338 X(o=0.34,f=0) USER MOD Single : A 111 ASN : amide:sc= 1.16 K(o=1.2,f=-0.13) USER MOD Single : A 113 MET CE :methyl -107:sc= -1.14 (180deg=-3.43!) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 SER OG : rot -98:sc= 0.807 USER MOD Single : A 118 TYR OH : rot 24:sc= 1.12 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 SER OG : rot 53:sc= 0.87 USER MOD Single : A 127 TYR OH : rot 180:sc= -0.496 USER MOD Single : A 130 CYS SG : rot 61:sc= 1.14 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -15.024 -1.847 -18.991 1.00 0.00 N ATOM 2 CA SER A 1 -13.875 -1.034 -19.456 1.00 0.00 C ATOM 3 C SER A 1 -13.803 0.292 -18.689 1.00 0.00 C ATOM 4 O SER A 1 -14.807 0.994 -18.566 1.00 0.00 O ATOM 5 CB SER A 1 -14.004 -0.771 -20.962 1.00 0.00 C ATOM 6 OG SER A 1 -14.199 -1.984 -21.678 1.00 0.00 O ATOM 0 H1 SER A 1 -15.447 -2.345 -19.800 1.00 0.00 H new ATOM 0 H2 SER A 1 -14.697 -2.542 -18.290 1.00 0.00 H new ATOM 0 H3 SER A 1 -15.736 -1.226 -18.556 1.00 0.00 H new ATOM 0 HA SER A 1 -12.955 -1.586 -19.266 1.00 0.00 H new ATOM 0 HB2 SER A 1 -14.841 -0.098 -21.146 1.00 0.00 H new ATOM 0 HB3 SER A 1 -13.106 -0.271 -21.325 1.00 0.00 H new ATOM 0 HG SER A 1 -14.280 -1.790 -22.635 1.00 0.00 H new ATOM 14 N MET A 2 -12.611 0.619 -18.178 1.00 0.00 N ATOM 15 CA MET A 2 -12.382 1.847 -17.406 1.00 0.00 C ATOM 16 C MET A 2 -13.300 1.906 -16.182 1.00 0.00 C ATOM 17 O MET A 2 -12.961 1.384 -15.119 1.00 0.00 O ATOM 18 CB MET A 2 -12.564 3.104 -18.278 1.00 0.00 C ATOM 19 CG MET A 2 -11.570 3.215 -19.426 1.00 0.00 C ATOM 20 SD MET A 2 -11.862 4.668 -20.458 1.00 0.00 S ATOM 21 CE MET A 2 -13.540 4.365 -21.014 1.00 0.00 C ATOM 0 H MET A 2 -11.778 0.041 -18.287 1.00 0.00 H new ATOM 0 HA MET A 2 -11.349 1.825 -17.060 1.00 0.00 H new ATOM 0 HB2 MET A 2 -13.575 3.107 -18.686 1.00 0.00 H new ATOM 0 HB3 MET A 2 -12.473 3.987 -17.646 1.00 0.00 H new ATOM 0 HG2 MET A 2 -10.558 3.257 -19.023 1.00 0.00 H new ATOM 0 HG3 MET A 2 -11.630 2.318 -20.042 1.00 0.00 H new ATOM 0 HE1 MET A 2 -13.647 4.698 -22.046 1.00 0.00 H new ATOM 0 HE2 MET A 2 -13.757 3.299 -20.953 1.00 0.00 H new ATOM 0 HE3 MET A 2 -14.238 4.914 -20.381 1.00 0.00 H new ATOM 31 N THR A 3 -14.473 2.519 -16.338 1.00 0.00 N ATOM 32 CA THR A 3 -15.442 2.598 -15.260 1.00 0.00 C ATOM 33 C THR A 3 -16.224 1.291 -15.183 1.00 0.00 C ATOM 34 O THR A 3 -17.280 1.138 -15.803 1.00 0.00 O ATOM 35 CB THR A 3 -16.403 3.797 -15.454 1.00 0.00 C ATOM 36 OG1 THR A 3 -16.921 3.799 -16.792 1.00 0.00 O ATOM 37 CG2 THR A 3 -15.693 5.121 -15.182 1.00 0.00 C ATOM 0 H THR A 3 -14.770 2.967 -17.205 1.00 0.00 H new ATOM 0 HA THR A 3 -14.908 2.755 -14.323 1.00 0.00 H new ATOM 0 HB THR A 3 -17.222 3.690 -14.743 1.00 0.00 H new ATOM 0 HG1 THR A 3 -17.240 2.901 -17.021 1.00 0.00 H new ATOM 0 HG21 THR A 3 -16.392 5.945 -15.326 1.00 0.00 H new ATOM 0 HG22 THR A 3 -15.325 5.132 -14.156 1.00 0.00 H new ATOM 0 HG23 THR A 3 -14.855 5.232 -15.870 1.00 0.00 H new ATOM 45 N GLU A 4 -15.662 0.330 -14.460 1.00 0.00 N ATOM 46 CA GLU A 4 -16.231 -1.007 -14.368 1.00 0.00 C ATOM 47 C GLU A 4 -16.559 -1.333 -12.916 1.00 0.00 C ATOM 48 O GLU A 4 -15.920 -0.817 -11.996 1.00 0.00 O ATOM 49 CB GLU A 4 -15.242 -2.023 -14.954 1.00 0.00 C ATOM 50 CG GLU A 4 -15.835 -3.400 -15.239 1.00 0.00 C ATOM 51 CD GLU A 4 -14.883 -4.285 -16.031 1.00 0.00 C ATOM 52 OE1 GLU A 4 -14.345 -3.811 -17.058 1.00 0.00 O ATOM 53 OE2 GLU A 4 -14.648 -5.446 -15.624 1.00 0.00 O ATOM 0 H GLU A 4 -14.803 0.455 -13.924 1.00 0.00 H new ATOM 0 HA GLU A 4 -17.157 -1.055 -14.941 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -14.834 -1.619 -15.881 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -14.408 -2.138 -14.262 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -16.083 -3.889 -14.297 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -16.767 -3.285 -15.793 1.00 0.00 H new ATOM 60 N GLU A 5 -17.557 -2.183 -12.720 1.00 0.00 N ATOM 61 CA GLU A 5 -18.030 -2.526 -11.384 1.00 0.00 C ATOM 62 C GLU A 5 -17.004 -3.370 -10.633 1.00 0.00 C ATOM 63 O GLU A 5 -17.049 -4.602 -10.650 1.00 0.00 O ATOM 64 CB GLU A 5 -19.377 -3.251 -11.471 1.00 0.00 C ATOM 65 CG GLU A 5 -20.492 -2.375 -12.031 1.00 0.00 C ATOM 66 CD GLU A 5 -21.730 -3.166 -12.403 1.00 0.00 C ATOM 67 OE1 GLU A 5 -22.581 -3.409 -11.520 1.00 0.00 O ATOM 68 OE2 GLU A 5 -21.860 -3.543 -13.587 1.00 0.00 O ATOM 0 H GLU A 5 -18.059 -2.651 -13.475 1.00 0.00 H new ATOM 0 HA GLU A 5 -18.167 -1.602 -10.822 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -19.267 -4.135 -12.099 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -19.660 -3.599 -10.478 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -20.758 -1.618 -11.293 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -20.126 -1.847 -12.911 1.00 0.00 H new ATOM 75 N GLN A 6 -16.053 -2.686 -10.010 1.00 0.00 N ATOM 76 CA GLN A 6 -15.061 -3.324 -9.158 1.00 0.00 C ATOM 77 C GLN A 6 -15.465 -3.144 -7.697 1.00 0.00 C ATOM 78 O GLN A 6 -16.024 -2.105 -7.338 1.00 0.00 O ATOM 79 CB GLN A 6 -13.673 -2.707 -9.401 1.00 0.00 C ATOM 80 CG GLN A 6 -13.197 -2.811 -10.847 1.00 0.00 C ATOM 81 CD GLN A 6 -13.032 -4.244 -11.325 1.00 0.00 C ATOM 82 OE1 GLN A 6 -13.246 -4.548 -12.499 1.00 0.00 O ATOM 83 NE2 GLN A 6 -12.622 -5.133 -10.432 1.00 0.00 N ATOM 0 H GLN A 6 -15.949 -1.674 -10.082 1.00 0.00 H new ATOM 0 HA GLN A 6 -15.012 -4.387 -9.395 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -13.697 -1.657 -9.111 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -12.948 -3.200 -8.753 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -13.909 -2.299 -11.494 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -12.245 -2.290 -10.947 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -12.454 -4.847 -9.467 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -12.474 -6.103 -10.709 1.00 0.00 H new ATOM 92 N PRO A 7 -15.214 -4.147 -6.835 1.00 0.00 N ATOM 93 CA PRO A 7 -15.504 -4.043 -5.401 1.00 0.00 C ATOM 94 C PRO A 7 -14.595 -3.018 -4.720 1.00 0.00 C ATOM 95 O PRO A 7 -13.689 -3.373 -3.968 1.00 0.00 O ATOM 96 CB PRO A 7 -15.240 -5.466 -4.861 1.00 0.00 C ATOM 97 CG PRO A 7 -15.161 -6.337 -6.075 1.00 0.00 C ATOM 98 CD PRO A 7 -14.641 -5.458 -7.177 1.00 0.00 C ATOM 0 HA PRO A 7 -16.521 -3.703 -5.208 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -14.314 -5.504 -4.288 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -16.040 -5.790 -4.195 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -14.497 -7.185 -5.905 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -16.140 -6.744 -6.329 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -13.551 -5.432 -7.196 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -14.969 -5.801 -8.158 1.00 0.00 H new ATOM 106 N VAL A 8 -14.842 -1.741 -5.005 1.00 0.00 N ATOM 107 CA VAL A 8 -14.017 -0.643 -4.495 1.00 0.00 C ATOM 108 C VAL A 8 -13.980 -0.620 -2.964 1.00 0.00 C ATOM 109 O VAL A 8 -13.036 -0.109 -2.364 1.00 0.00 O ATOM 110 CB VAL A 8 -14.526 0.721 -5.024 1.00 0.00 C ATOM 111 CG1 VAL A 8 -14.373 0.800 -6.544 1.00 0.00 C ATOM 112 CG2 VAL A 8 -15.980 0.951 -4.618 1.00 0.00 C ATOM 0 H VAL A 8 -15.617 -1.437 -5.594 1.00 0.00 H new ATOM 0 HA VAL A 8 -13.003 -0.814 -4.857 1.00 0.00 H new ATOM 0 HB VAL A 8 -13.919 1.508 -4.576 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -14.736 1.765 -6.897 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -13.322 0.688 -6.810 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -14.952 0.003 -7.010 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -16.316 1.915 -5.000 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -16.603 0.159 -5.033 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -16.060 0.944 -3.531 1.00 0.00 H new ATOM 122 N ALA A 9 -15.002 -1.200 -2.339 1.00 0.00 N ATOM 123 CA ALA A 9 -15.085 -1.263 -0.880 1.00 0.00 C ATOM 124 C ALA A 9 -13.927 -2.073 -0.290 1.00 0.00 C ATOM 125 O ALA A 9 -13.635 -1.975 0.903 1.00 0.00 O ATOM 126 CB ALA A 9 -16.424 -1.858 -0.458 1.00 0.00 C ATOM 0 H ALA A 9 -15.788 -1.635 -2.822 1.00 0.00 H new ATOM 0 HA ALA A 9 -15.009 -0.248 -0.491 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -16.476 -1.901 0.630 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -17.234 -1.235 -0.836 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -16.520 -2.864 -0.866 1.00 0.00 H new ATOM 132 N SER A 10 -13.264 -2.863 -1.137 1.00 0.00 N ATOM 133 CA SER A 10 -12.156 -3.705 -0.698 1.00 0.00 C ATOM 134 C SER A 10 -11.000 -2.853 -0.173 1.00 0.00 C ATOM 135 O SER A 10 -10.219 -3.303 0.667 1.00 0.00 O ATOM 136 CB SER A 10 -11.675 -4.609 -1.846 1.00 0.00 C ATOM 137 OG SER A 10 -11.233 -3.847 -2.961 1.00 0.00 O ATOM 0 H SER A 10 -13.478 -2.935 -2.132 1.00 0.00 H new ATOM 0 HA SER A 10 -12.514 -4.337 0.115 1.00 0.00 H new ATOM 0 HB2 SER A 10 -10.863 -5.244 -1.494 1.00 0.00 H new ATOM 0 HB3 SER A 10 -12.486 -5.269 -2.154 1.00 0.00 H new ATOM 0 HG SER A 10 -12.009 -3.508 -3.454 1.00 0.00 H new ATOM 143 N TRP A 11 -10.904 -1.615 -0.663 1.00 0.00 N ATOM 144 CA TRP A 11 -9.846 -0.701 -0.243 1.00 0.00 C ATOM 145 C TRP A 11 -9.922 -0.447 1.262 1.00 0.00 C ATOM 146 O TRP A 11 -8.903 -0.408 1.948 1.00 0.00 O ATOM 147 CB TRP A 11 -9.947 0.637 -0.987 1.00 0.00 C ATOM 148 CG TRP A 11 -9.912 0.524 -2.484 1.00 0.00 C ATOM 149 CD1 TRP A 11 -9.280 -0.427 -3.237 1.00 0.00 C ATOM 150 CD2 TRP A 11 -10.526 1.426 -3.411 1.00 0.00 C ATOM 151 NE1 TRP A 11 -9.476 -0.172 -4.574 1.00 0.00 N ATOM 152 CE2 TRP A 11 -10.239 0.959 -4.704 1.00 0.00 C ATOM 153 CE3 TRP A 11 -11.298 2.580 -3.264 1.00 0.00 C ATOM 154 CZ2 TRP A 11 -10.697 1.611 -5.846 1.00 0.00 C ATOM 155 CZ3 TRP A 11 -11.751 3.228 -4.397 1.00 0.00 C ATOM 156 CH2 TRP A 11 -11.449 2.742 -5.675 1.00 0.00 C ATOM 0 H TRP A 11 -11.548 -1.225 -1.351 1.00 0.00 H new ATOM 0 HA TRP A 11 -8.892 -1.169 -0.484 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -10.873 1.131 -0.695 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -9.128 1.280 -0.665 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -8.711 -1.255 -2.840 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -9.112 -0.734 -5.344 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -11.537 2.960 -2.282 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -10.467 1.237 -6.833 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -12.347 4.123 -4.295 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -11.817 3.270 -6.543 1.00 0.00 H new ATOM 167 N ALA A 12 -11.144 -0.289 1.765 1.00 0.00 N ATOM 168 CA ALA A 12 -11.364 0.000 3.179 1.00 0.00 C ATOM 169 C ALA A 12 -11.064 -1.221 4.045 1.00 0.00 C ATOM 170 O ALA A 12 -10.882 -1.106 5.254 1.00 0.00 O ATOM 171 CB ALA A 12 -12.796 0.477 3.401 1.00 0.00 C ATOM 0 H ALA A 12 -11.999 -0.357 1.212 1.00 0.00 H new ATOM 0 HA ALA A 12 -10.679 0.794 3.475 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -12.949 0.690 4.459 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -12.972 1.382 2.820 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -13.492 -0.300 3.083 1.00 0.00 H new ATOM 177 N LEU A 13 -11.011 -2.392 3.413 1.00 0.00 N ATOM 178 CA LEU A 13 -10.747 -3.636 4.126 1.00 0.00 C ATOM 179 C LEU A 13 -9.257 -3.787 4.430 1.00 0.00 C ATOM 180 O LEU A 13 -8.875 -4.578 5.295 1.00 0.00 O ATOM 181 CB LEU A 13 -11.249 -4.841 3.313 1.00 0.00 C ATOM 182 CG LEU A 13 -12.762 -4.868 3.038 1.00 0.00 C ATOM 183 CD1 LEU A 13 -13.140 -6.095 2.210 1.00 0.00 C ATOM 184 CD2 LEU A 13 -13.552 -4.836 4.347 1.00 0.00 C ATOM 0 H LEU A 13 -11.148 -2.503 2.408 1.00 0.00 H new ATOM 0 HA LEU A 13 -11.287 -3.602 5.072 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -10.723 -4.858 2.358 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -10.977 -5.754 3.843 1.00 0.00 H new ATOM 0 HG LEU A 13 -13.018 -3.977 2.464 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -14.215 -6.094 2.027 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -12.610 -6.069 1.258 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -12.865 -6.999 2.753 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -14.620 -4.856 4.128 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -13.289 -5.704 4.952 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -13.311 -3.925 4.895 1.00 0.00 H new ATOM 196 N SER A 14 -8.421 -3.027 3.715 1.00 0.00 N ATOM 197 CA SER A 14 -6.973 -3.063 3.914 1.00 0.00 C ATOM 198 C SER A 14 -6.273 -2.008 3.064 1.00 0.00 C ATOM 199 O SER A 14 -6.588 -1.841 1.883 1.00 0.00 O ATOM 200 CB SER A 14 -6.414 -4.447 3.561 1.00 0.00 C ATOM 201 OG SER A 14 -4.999 -4.480 3.664 1.00 0.00 O ATOM 0 H SER A 14 -8.727 -2.377 2.991 1.00 0.00 H new ATOM 0 HA SER A 14 -6.783 -2.851 4.966 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.845 -5.195 4.226 1.00 0.00 H new ATOM 0 HB3 SER A 14 -6.712 -4.713 2.547 1.00 0.00 H new ATOM 0 HG SER A 14 -4.692 -5.411 3.656 1.00 0.00 H new ATOM 207 N PHE A 15 -5.310 -1.311 3.664 1.00 0.00 N ATOM 208 CA PHE A 15 -4.490 -0.355 2.920 1.00 0.00 C ATOM 209 C PHE A 15 -3.644 -1.103 1.895 1.00 0.00 C ATOM 210 O PHE A 15 -3.440 -0.627 0.781 1.00 0.00 O ATOM 211 CB PHE A 15 -3.592 0.469 3.858 1.00 0.00 C ATOM 212 CG PHE A 15 -2.679 1.438 3.135 1.00 0.00 C ATOM 213 CD1 PHE A 15 -3.155 2.216 2.086 1.00 0.00 C ATOM 214 CD2 PHE A 15 -1.345 1.564 3.496 1.00 0.00 C ATOM 215 CE1 PHE A 15 -2.321 3.095 1.419 1.00 0.00 C ATOM 216 CE2 PHE A 15 -0.508 2.441 2.830 1.00 0.00 C ATOM 217 CZ PHE A 15 -0.998 3.207 1.791 1.00 0.00 C ATOM 0 H PHE A 15 -5.079 -1.388 4.654 1.00 0.00 H new ATOM 0 HA PHE A 15 -5.153 0.343 2.408 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -4.222 1.026 4.552 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -2.985 -0.211 4.455 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -4.190 2.133 1.788 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -0.955 0.969 4.308 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -2.706 3.694 0.607 1.00 0.00 H new ATOM 0 HE2 PHE A 15 0.528 2.527 3.123 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.346 3.893 1.270 1.00 0.00 H new ATOM 227 N GLU A 16 -3.174 -2.284 2.289 1.00 0.00 N ATOM 228 CA GLU A 16 -2.433 -3.170 1.400 1.00 0.00 C ATOM 229 C GLU A 16 -3.231 -3.390 0.112 1.00 0.00 C ATOM 230 O GLU A 16 -2.695 -3.307 -0.989 1.00 0.00 O ATOM 231 CB GLU A 16 -2.175 -4.516 2.098 1.00 0.00 C ATOM 232 CG GLU A 16 -1.301 -5.484 1.302 1.00 0.00 C ATOM 233 CD GLU A 16 0.160 -5.054 1.237 1.00 0.00 C ATOM 234 OE1 GLU A 16 0.501 -4.212 0.383 1.00 0.00 O ATOM 235 OE2 GLU A 16 0.971 -5.568 2.040 1.00 0.00 O ATOM 0 H GLU A 16 -3.297 -2.652 3.232 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.475 -2.713 1.153 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.701 -4.327 3.061 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.133 -4.995 2.302 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.362 -6.475 1.753 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -1.694 -5.570 0.289 1.00 0.00 H new ATOM 242 N ARG A 17 -4.533 -3.641 0.272 1.00 0.00 N ATOM 243 CA ARG A 17 -5.437 -3.838 -0.861 1.00 0.00 C ATOM 244 C ARG A 17 -5.430 -2.613 -1.774 1.00 0.00 C ATOM 245 O ARG A 17 -5.187 -2.729 -2.975 1.00 0.00 O ATOM 246 CB ARG A 17 -6.865 -4.119 -0.362 1.00 0.00 C ATOM 247 CG ARG A 17 -7.924 -4.137 -1.463 1.00 0.00 C ATOM 248 CD ARG A 17 -7.656 -5.212 -2.510 1.00 0.00 C ATOM 249 NE ARG A 17 -8.670 -5.207 -3.569 1.00 0.00 N ATOM 250 CZ ARG A 17 -8.675 -6.053 -4.603 1.00 0.00 C ATOM 251 NH1 ARG A 17 -7.728 -6.979 -4.719 1.00 0.00 N ATOM 252 NH2 ARG A 17 -9.623 -5.967 -5.527 1.00 0.00 N ATOM 0 H ARG A 17 -4.986 -3.713 1.183 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.088 -4.698 -1.433 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -6.875 -5.080 0.151 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -7.136 -3.362 0.374 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -8.905 -4.304 -1.017 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -7.956 -3.161 -1.948 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -6.671 -5.054 -2.949 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -7.637 -6.190 -2.030 1.00 0.00 H new ATOM 0 HE ARG A 17 -9.417 -4.515 -3.513 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -6.992 -7.047 -4.016 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -7.738 -7.622 -5.511 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -10.349 -5.255 -5.448 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -9.626 -6.613 -6.316 1.00 0.00 H new ATOM 266 N LEU A 18 -5.694 -1.446 -1.193 1.00 0.00 N ATOM 267 CA LEU A 18 -5.700 -0.184 -1.940 1.00 0.00 C ATOM 268 C LEU A 18 -4.358 0.043 -2.636 1.00 0.00 C ATOM 269 O LEU A 18 -4.297 0.533 -3.764 1.00 0.00 O ATOM 270 CB LEU A 18 -5.970 0.991 -0.988 1.00 0.00 C ATOM 271 CG LEU A 18 -5.866 2.390 -1.624 1.00 0.00 C ATOM 272 CD1 LEU A 18 -7.075 2.687 -2.507 1.00 0.00 C ATOM 273 CD2 LEU A 18 -5.689 3.461 -0.553 1.00 0.00 C ATOM 0 H LEU A 18 -5.908 -1.344 -0.201 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.487 -0.243 -2.691 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.969 0.874 -0.567 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.266 0.934 -0.158 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.982 2.403 -2.262 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -6.973 3.681 -2.942 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.134 1.947 -3.305 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.983 2.646 -1.906 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.618 4.440 -1.026 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.545 3.445 0.122 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.778 3.264 0.012 1.00 0.00 H new ATOM 285 N LEU A 19 -3.295 -0.332 -1.944 1.00 0.00 N ATOM 286 CA LEU A 19 -1.939 -0.032 -2.372 1.00 0.00 C ATOM 287 C LEU A 19 -1.459 -1.032 -3.431 1.00 0.00 C ATOM 288 O LEU A 19 -0.613 -0.708 -4.267 1.00 0.00 O ATOM 289 CB LEU A 19 -1.019 -0.029 -1.142 1.00 0.00 C ATOM 290 CG LEU A 19 0.382 0.542 -1.371 1.00 0.00 C ATOM 291 CD1 LEU A 19 0.301 1.938 -1.988 1.00 0.00 C ATOM 292 CD2 LEU A 19 1.166 0.579 -0.063 1.00 0.00 C ATOM 0 H LEU A 19 -3.348 -0.853 -1.069 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.915 0.953 -2.838 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.501 0.544 -0.350 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.921 -1.053 -0.780 1.00 0.00 H new ATOM 0 HG LEU A 19 0.907 -0.110 -2.068 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.308 2.326 -2.143 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.218 1.883 -2.945 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.245 2.601 -1.317 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.160 0.988 -0.246 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.642 1.207 0.658 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.257 -0.432 0.335 1.00 0.00 H new ATOM 304 N GLN A 20 -2.007 -2.244 -3.392 1.00 0.00 N ATOM 305 CA GLN A 20 -1.700 -3.262 -4.396 1.00 0.00 C ATOM 306 C GLN A 20 -2.549 -3.043 -5.648 1.00 0.00 C ATOM 307 O GLN A 20 -2.079 -3.245 -6.773 1.00 0.00 O ATOM 308 CB GLN A 20 -1.945 -4.678 -3.843 1.00 0.00 C ATOM 309 CG GLN A 20 -0.978 -5.096 -2.740 1.00 0.00 C ATOM 310 CD GLN A 20 0.471 -5.134 -3.200 1.00 0.00 C ATOM 311 OE1 GLN A 20 0.763 -5.382 -4.372 1.00 0.00 O ATOM 312 NE2 GLN A 20 1.390 -4.902 -2.281 1.00 0.00 N ATOM 0 H GLN A 20 -2.667 -2.546 -2.675 1.00 0.00 H new ATOM 0 HA GLN A 20 -0.645 -3.170 -4.655 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -2.963 -4.734 -3.458 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -1.874 -5.393 -4.663 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -1.069 -4.403 -1.903 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -1.262 -6.081 -2.371 1.00 0.00 H new ATOM 0 HE21 GLN A 20 1.111 -4.700 -1.321 1.00 0.00 H new ATOM 0 HE22 GLN A 20 2.379 -4.925 -2.531 1.00 0.00 H new ATOM 321 N ASP A 21 -3.795 -2.623 -5.437 1.00 0.00 N ATOM 322 CA ASP A 21 -4.748 -2.409 -6.527 1.00 0.00 C ATOM 323 C ASP A 21 -4.423 -1.115 -7.276 1.00 0.00 C ATOM 324 O ASP A 21 -4.534 -0.023 -6.717 1.00 0.00 O ATOM 325 CB ASP A 21 -6.183 -2.363 -5.974 1.00 0.00 C ATOM 326 CG ASP A 21 -7.231 -2.124 -7.053 1.00 0.00 C ATOM 327 OD1 ASP A 21 -7.317 -2.938 -7.998 1.00 0.00 O ATOM 328 OD2 ASP A 21 -7.991 -1.139 -6.949 1.00 0.00 O ATOM 0 H ASP A 21 -4.172 -2.422 -4.511 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.669 -3.240 -7.228 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.401 -3.303 -5.466 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.253 -1.573 -5.226 1.00 0.00 H new ATOM 333 N PRO A 22 -4.018 -1.220 -8.560 1.00 0.00 N ATOM 334 CA PRO A 22 -3.597 -0.057 -9.355 1.00 0.00 C ATOM 335 C PRO A 22 -4.730 0.945 -9.564 1.00 0.00 C ATOM 336 O PRO A 22 -4.489 2.140 -9.734 1.00 0.00 O ATOM 337 CB PRO A 22 -3.156 -0.672 -10.695 1.00 0.00 C ATOM 338 CG PRO A 22 -3.859 -1.988 -10.760 1.00 0.00 C ATOM 339 CD PRO A 22 -3.944 -2.472 -9.338 1.00 0.00 C ATOM 0 HA PRO A 22 -2.809 0.510 -8.859 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.433 -0.033 -11.534 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -2.074 -0.799 -10.735 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -4.852 -1.881 -11.198 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -3.311 -2.695 -11.383 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -4.822 -3.098 -9.178 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -3.073 -3.067 -9.062 1.00 0.00 H new ATOM 347 N LEU A 23 -5.964 0.451 -9.542 1.00 0.00 N ATOM 348 CA LEU A 23 -7.141 1.294 -9.741 1.00 0.00 C ATOM 349 C LEU A 23 -7.323 2.208 -8.528 1.00 0.00 C ATOM 350 O LEU A 23 -7.459 3.432 -8.661 1.00 0.00 O ATOM 351 CB LEU A 23 -8.379 0.402 -9.978 1.00 0.00 C ATOM 352 CG LEU A 23 -9.642 1.102 -10.530 1.00 0.00 C ATOM 353 CD1 LEU A 23 -10.588 0.081 -11.159 1.00 0.00 C ATOM 354 CD2 LEU A 23 -10.372 1.879 -9.436 1.00 0.00 C ATOM 0 H LEU A 23 -6.177 -0.535 -9.387 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.010 1.925 -10.620 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -8.099 -0.392 -10.671 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -8.640 -0.076 -9.034 1.00 0.00 H new ATOM 0 HG LEU A 23 -9.318 1.809 -11.294 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -11.472 0.591 -11.542 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -10.080 -0.430 -11.977 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -10.888 -0.649 -10.407 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -11.255 2.359 -9.858 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -10.675 1.194 -8.644 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -9.708 2.639 -9.025 1.00 0.00 H new ATOM 366 N GLY A 24 -7.301 1.602 -7.347 1.00 0.00 N ATOM 367 CA GLY A 24 -7.392 2.356 -6.115 1.00 0.00 C ATOM 368 C GLY A 24 -6.236 3.316 -5.958 1.00 0.00 C ATOM 369 O GLY A 24 -6.435 4.502 -5.688 1.00 0.00 O ATOM 0 H GLY A 24 -7.221 0.593 -7.222 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -8.330 2.911 -6.097 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.411 1.669 -5.269 1.00 0.00 H new ATOM 373 N LEU A 25 -5.023 2.800 -6.143 1.00 0.00 N ATOM 374 CA LEU A 25 -3.815 3.613 -6.054 1.00 0.00 C ATOM 375 C LEU A 25 -3.874 4.766 -7.064 1.00 0.00 C ATOM 376 O LEU A 25 -3.346 5.843 -6.805 1.00 0.00 O ATOM 377 CB LEU A 25 -2.564 2.741 -6.287 1.00 0.00 C ATOM 378 CG LEU A 25 -1.288 3.162 -5.519 1.00 0.00 C ATOM 379 CD1 LEU A 25 -0.167 2.158 -5.756 1.00 0.00 C ATOM 380 CD2 LEU A 25 -0.826 4.567 -5.906 1.00 0.00 C ATOM 0 H LEU A 25 -4.852 1.817 -6.356 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.751 4.040 -5.053 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.806 1.714 -6.013 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.339 2.742 -7.353 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.538 3.176 -4.458 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.722 2.470 -5.209 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.481 1.174 -5.408 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.060 2.111 -6.821 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.072 4.822 -5.344 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.607 4.597 -6.973 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.614 5.285 -5.677 1.00 0.00 H new ATOM 392 N ALA A 26 -4.530 4.542 -8.202 1.00 0.00 N ATOM 393 CA ALA A 26 -4.677 5.582 -9.223 1.00 0.00 C ATOM 394 C ALA A 26 -5.397 6.804 -8.654 1.00 0.00 C ATOM 395 O ALA A 26 -4.906 7.931 -8.746 1.00 0.00 O ATOM 396 CB ALA A 26 -5.421 5.041 -10.439 1.00 0.00 C ATOM 0 H ALA A 26 -4.968 3.652 -8.441 1.00 0.00 H new ATOM 0 HA ALA A 26 -3.680 5.890 -9.539 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.520 5.829 -11.185 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -4.864 4.206 -10.864 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.412 4.701 -10.138 1.00 0.00 H new ATOM 402 N TYR A 27 -6.556 6.576 -8.048 1.00 0.00 N ATOM 403 CA TYR A 27 -7.315 7.667 -7.435 1.00 0.00 C ATOM 404 C TYR A 27 -6.626 8.151 -6.158 1.00 0.00 C ATOM 405 O TYR A 27 -6.710 9.330 -5.791 1.00 0.00 O ATOM 406 CB TYR A 27 -8.754 7.224 -7.146 1.00 0.00 C ATOM 407 CG TYR A 27 -9.550 6.920 -8.405 1.00 0.00 C ATOM 408 CD1 TYR A 27 -9.962 7.946 -9.251 1.00 0.00 C ATOM 409 CD2 TYR A 27 -9.879 5.614 -8.755 1.00 0.00 C ATOM 410 CE1 TYR A 27 -10.678 7.681 -10.402 1.00 0.00 C ATOM 411 CE2 TYR A 27 -10.594 5.343 -9.907 1.00 0.00 C ATOM 412 CZ TYR A 27 -10.990 6.378 -10.727 1.00 0.00 C ATOM 413 OH TYR A 27 -11.702 6.110 -11.875 1.00 0.00 O ATOM 0 H TYR A 27 -6.990 5.657 -7.966 1.00 0.00 H new ATOM 0 HA TYR A 27 -7.350 8.500 -8.137 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -8.734 6.337 -6.513 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -9.262 8.006 -6.582 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -9.717 8.968 -9.003 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -9.571 4.799 -8.117 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -10.992 8.491 -11.044 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -10.842 4.324 -10.164 1.00 0.00 H new ATOM 0 HH TYR A 27 -11.837 5.143 -11.958 1.00 0.00 H new ATOM 423 N PHE A 28 -5.924 7.237 -5.500 1.00 0.00 N ATOM 424 CA PHE A 28 -5.169 7.556 -4.292 1.00 0.00 C ATOM 425 C PHE A 28 -4.066 8.567 -4.609 1.00 0.00 C ATOM 426 O PHE A 28 -3.900 9.560 -3.901 1.00 0.00 O ATOM 427 CB PHE A 28 -4.572 6.274 -3.696 1.00 0.00 C ATOM 428 CG PHE A 28 -3.796 6.482 -2.418 1.00 0.00 C ATOM 429 CD1 PHE A 28 -4.458 6.711 -1.219 1.00 0.00 C ATOM 430 CD2 PHE A 28 -2.408 6.433 -2.413 1.00 0.00 C ATOM 431 CE1 PHE A 28 -3.751 6.887 -0.046 1.00 0.00 C ATOM 432 CE2 PHE A 28 -1.700 6.612 -1.240 1.00 0.00 C ATOM 433 CZ PHE A 28 -2.371 6.839 -0.057 1.00 0.00 C ATOM 0 H PHE A 28 -5.861 6.260 -5.785 1.00 0.00 H new ATOM 0 HA PHE A 28 -5.841 8.002 -3.559 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -5.379 5.567 -3.505 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -3.915 5.816 -4.435 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -5.537 6.752 -1.204 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.876 6.253 -3.336 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -4.278 7.062 0.880 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.621 6.574 -1.250 1.00 0.00 H new ATOM 0 HZ PHE A 28 -1.818 6.979 0.860 1.00 0.00 H new ATOM 443 N THR A 29 -3.334 8.320 -5.695 1.00 0.00 N ATOM 444 CA THR A 29 -2.245 9.197 -6.099 1.00 0.00 C ATOM 445 C THR A 29 -2.797 10.471 -6.736 1.00 0.00 C ATOM 446 O THR A 29 -2.089 11.471 -6.848 1.00 0.00 O ATOM 447 CB THR A 29 -1.253 8.498 -7.070 1.00 0.00 C ATOM 448 OG1 THR A 29 -0.095 9.322 -7.264 1.00 0.00 O ATOM 449 CG2 THR A 29 -1.894 8.204 -8.423 1.00 0.00 C ATOM 0 H THR A 29 -3.479 7.518 -6.309 1.00 0.00 H new ATOM 0 HA THR A 29 -1.689 9.455 -5.198 1.00 0.00 H new ATOM 0 HB THR A 29 -0.966 7.549 -6.617 1.00 0.00 H new ATOM 0 HG1 THR A 29 -0.365 10.264 -7.293 1.00 0.00 H new ATOM 0 HG21 THR A 29 -1.167 7.715 -9.072 1.00 0.00 H new ATOM 0 HG22 THR A 29 -2.754 7.549 -8.284 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.220 9.138 -8.882 1.00 0.00 H new ATOM 457 N GLU A 30 -4.064 10.427 -7.156 1.00 0.00 N ATOM 458 CA GLU A 30 -4.755 11.617 -7.648 1.00 0.00 C ATOM 459 C GLU A 30 -4.792 12.680 -6.547 1.00 0.00 C ATOM 460 O GLU A 30 -4.419 13.835 -6.766 1.00 0.00 O ATOM 461 CB GLU A 30 -6.178 11.251 -8.103 1.00 0.00 C ATOM 462 CG GLU A 30 -7.005 12.426 -8.620 1.00 0.00 C ATOM 463 CD GLU A 30 -6.385 13.106 -9.830 1.00 0.00 C ATOM 464 OE1 GLU A 30 -6.379 12.502 -10.925 1.00 0.00 O ATOM 465 OE2 GLU A 30 -5.917 14.257 -9.701 1.00 0.00 O ATOM 0 H GLU A 30 -4.631 9.579 -7.164 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.217 12.021 -8.506 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.111 10.498 -8.888 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.706 10.793 -7.266 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -8.003 12.073 -8.881 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -7.124 13.158 -7.821 1.00 0.00 H new ATOM 472 N PHE A 31 -5.227 12.274 -5.355 1.00 0.00 N ATOM 473 CA PHE A 31 -5.226 13.167 -4.193 1.00 0.00 C ATOM 474 C PHE A 31 -3.799 13.378 -3.686 1.00 0.00 C ATOM 475 O PHE A 31 -3.380 14.509 -3.423 1.00 0.00 O ATOM 476 CB PHE A 31 -6.105 12.601 -3.068 1.00 0.00 C ATOM 477 CG PHE A 31 -7.575 12.567 -3.403 1.00 0.00 C ATOM 478 CD1 PHE A 31 -8.334 13.728 -3.359 1.00 0.00 C ATOM 479 CD2 PHE A 31 -8.198 11.378 -3.755 1.00 0.00 C ATOM 480 CE1 PHE A 31 -9.681 13.704 -3.661 1.00 0.00 C ATOM 481 CE2 PHE A 31 -9.545 11.350 -4.057 1.00 0.00 C ATOM 482 CZ PHE A 31 -10.287 12.513 -4.010 1.00 0.00 C ATOM 0 H PHE A 31 -5.584 11.337 -5.167 1.00 0.00 H new ATOM 0 HA PHE A 31 -5.638 14.127 -4.503 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -5.772 11.590 -2.833 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -5.960 13.201 -2.170 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -7.865 14.662 -3.085 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -7.623 10.465 -3.793 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -10.260 14.615 -3.624 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -10.018 10.418 -4.330 1.00 0.00 H new ATOM 0 HZ PHE A 31 -11.341 12.492 -4.246 1.00 0.00 H new ATOM 492 N LEU A 32 -3.058 12.275 -3.582 1.00 0.00 N ATOM 493 CA LEU A 32 -1.673 12.284 -3.098 1.00 0.00 C ATOM 494 C LEU A 32 -0.809 13.240 -3.934 1.00 0.00 C ATOM 495 O LEU A 32 0.206 13.765 -3.465 1.00 0.00 O ATOM 496 CB LEU A 32 -1.110 10.855 -3.156 1.00 0.00 C ATOM 497 CG LEU A 32 0.188 10.601 -2.379 1.00 0.00 C ATOM 498 CD1 LEU A 32 -0.028 10.775 -0.879 1.00 0.00 C ATOM 499 CD2 LEU A 32 0.727 9.205 -2.685 1.00 0.00 C ATOM 0 H LEU A 32 -3.400 11.347 -3.831 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.656 12.638 -2.067 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.872 10.172 -2.781 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.938 10.598 -4.201 1.00 0.00 H new ATOM 0 HG LEU A 32 0.925 11.337 -2.700 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.908 10.589 -0.353 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.363 11.792 -0.675 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.784 10.068 -0.536 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.648 9.040 -2.126 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.012 8.458 -2.395 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.930 9.119 -3.752 1.00 0.00 H new ATOM 511 N LYS A 33 -1.230 13.457 -5.176 1.00 0.00 N ATOM 512 CA LYS A 33 -0.570 14.397 -6.076 1.00 0.00 C ATOM 513 C LYS A 33 -0.760 15.829 -5.578 1.00 0.00 C ATOM 514 O LYS A 33 0.196 16.597 -5.460 1.00 0.00 O ATOM 515 CB LYS A 33 -1.162 14.267 -7.490 1.00 0.00 C ATOM 516 CG LYS A 33 -0.477 15.131 -8.549 1.00 0.00 C ATOM 517 CD LYS A 33 0.876 14.562 -8.970 1.00 0.00 C ATOM 518 CE LYS A 33 0.736 13.189 -9.622 1.00 0.00 C ATOM 519 NZ LYS A 33 -0.168 13.217 -10.805 1.00 0.00 N ATOM 0 H LYS A 33 -2.037 12.987 -5.587 1.00 0.00 H new ATOM 0 HA LYS A 33 0.495 14.166 -6.102 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.105 13.223 -7.799 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.219 14.531 -7.453 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -1.123 15.212 -9.423 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.340 16.140 -8.159 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.358 15.248 -9.667 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.525 14.486 -8.098 1.00 0.00 H new ATOM 0 HE2 LYS A 33 1.720 12.832 -9.927 1.00 0.00 H new ATOM 0 HE3 LYS A 33 0.352 12.479 -8.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -0.064 12.332 -11.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.153 13.315 -10.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 0.081 14.023 -11.414 1.00 0.00 H new ATOM 533 N LYS A 34 -2.008 16.162 -5.258 1.00 0.00 N ATOM 534 CA LYS A 34 -2.391 17.533 -4.928 1.00 0.00 C ATOM 535 C LYS A 34 -1.888 17.943 -3.545 1.00 0.00 C ATOM 536 O LYS A 34 -1.600 19.118 -3.308 1.00 0.00 O ATOM 537 CB LYS A 34 -3.914 17.687 -5.015 1.00 0.00 C ATOM 538 CG LYS A 34 -4.481 17.307 -6.380 1.00 0.00 C ATOM 539 CD LYS A 34 -5.983 17.560 -6.474 1.00 0.00 C ATOM 540 CE LYS A 34 -6.771 16.771 -5.432 1.00 0.00 C ATOM 541 NZ LYS A 34 -8.238 16.956 -5.596 1.00 0.00 N ATOM 0 H LYS A 34 -2.778 15.494 -5.220 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.922 18.197 -5.654 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.380 17.066 -4.250 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.181 18.720 -4.793 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.969 17.878 -7.155 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.279 16.254 -6.574 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.178 18.624 -6.344 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.333 17.291 -7.471 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.526 15.712 -5.515 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.473 17.089 -4.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.741 16.405 -4.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.475 17.963 -5.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -8.526 16.629 -6.540 1.00 0.00 H new ATOM 555 N GLU A 35 -1.781 16.979 -2.635 1.00 0.00 N ATOM 556 CA GLU A 35 -1.262 17.249 -1.293 1.00 0.00 C ATOM 557 C GLU A 35 0.271 17.246 -1.305 1.00 0.00 C ATOM 558 O GLU A 35 0.912 17.594 -0.309 1.00 0.00 O ATOM 559 CB GLU A 35 -1.803 16.221 -0.284 1.00 0.00 C ATOM 560 CG GLU A 35 -1.386 14.783 -0.574 1.00 0.00 C ATOM 561 CD GLU A 35 -1.887 13.798 0.476 1.00 0.00 C ATOM 562 OE1 GLU A 35 -1.341 13.795 1.605 1.00 0.00 O ATOM 563 OE2 GLU A 35 -2.834 13.035 0.192 1.00 0.00 O ATOM 0 H GLU A 35 -2.045 16.007 -2.799 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.602 18.237 -0.982 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.460 16.493 0.714 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.892 16.277 -0.273 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.768 14.489 -1.552 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.299 14.729 -0.627 1.00 0.00 H new ATOM 570 N PHE A 36 0.836 16.865 -2.454 1.00 0.00 N ATOM 571 CA PHE A 36 2.283 16.790 -2.654 1.00 0.00 C ATOM 572 C PHE A 36 2.933 15.831 -1.655 1.00 0.00 C ATOM 573 O PHE A 36 3.568 16.246 -0.679 1.00 0.00 O ATOM 574 CB PHE A 36 2.936 18.184 -2.594 1.00 0.00 C ATOM 575 CG PHE A 36 4.423 18.177 -2.888 1.00 0.00 C ATOM 576 CD1 PHE A 36 4.924 17.500 -3.994 1.00 0.00 C ATOM 577 CD2 PHE A 36 5.315 18.845 -2.059 1.00 0.00 C ATOM 578 CE1 PHE A 36 6.281 17.490 -4.262 1.00 0.00 C ATOM 579 CE2 PHE A 36 6.671 18.837 -2.325 1.00 0.00 C ATOM 580 CZ PHE A 36 7.154 18.158 -3.427 1.00 0.00 C ATOM 0 H PHE A 36 0.296 16.598 -3.277 1.00 0.00 H new ATOM 0 HA PHE A 36 2.453 16.392 -3.655 1.00 0.00 H new ATOM 0 HB2 PHE A 36 2.437 18.839 -3.308 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.773 18.609 -1.603 1.00 0.00 H new ATOM 0 HD1 PHE A 36 4.246 16.976 -4.651 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.944 19.377 -1.196 1.00 0.00 H new ATOM 0 HE1 PHE A 36 6.657 16.960 -5.124 1.00 0.00 H new ATOM 0 HE2 PHE A 36 7.353 19.361 -1.672 1.00 0.00 H new ATOM 0 HZ PHE A 36 8.214 18.150 -3.635 1.00 0.00 H new ATOM 590 N SER A 37 2.713 14.545 -1.891 1.00 0.00 N ATOM 591 CA SER A 37 3.360 13.482 -1.132 1.00 0.00 C ATOM 592 C SER A 37 3.363 12.190 -1.953 1.00 0.00 C ATOM 593 O SER A 37 3.474 11.084 -1.416 1.00 0.00 O ATOM 594 CB SER A 37 2.642 13.292 0.210 1.00 0.00 C ATOM 595 OG SER A 37 1.237 13.301 0.036 1.00 0.00 O ATOM 0 H SER A 37 2.079 14.208 -2.616 1.00 0.00 H new ATOM 0 HA SER A 37 4.395 13.753 -0.925 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.951 12.349 0.662 1.00 0.00 H new ATOM 0 HB3 SER A 37 2.933 14.086 0.898 1.00 0.00 H new ATOM 0 HG SER A 37 0.802 13.483 0.895 1.00 0.00 H new ATOM 601 N ALA A 38 3.285 12.350 -3.276 1.00 0.00 N ATOM 602 CA ALA A 38 3.200 11.224 -4.205 1.00 0.00 C ATOM 603 C ALA A 38 4.483 10.390 -4.229 1.00 0.00 C ATOM 604 O ALA A 38 4.499 9.279 -4.763 1.00 0.00 O ATOM 605 CB ALA A 38 2.867 11.728 -5.607 1.00 0.00 C ATOM 0 H ALA A 38 3.279 13.263 -3.732 1.00 0.00 H new ATOM 0 HA ALA A 38 2.402 10.570 -3.853 1.00 0.00 H new ATOM 0 HB1 ALA A 38 2.806 10.883 -6.292 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.910 12.250 -5.588 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.647 12.411 -5.943 1.00 0.00 H new ATOM 611 N GLU A 39 5.558 10.915 -3.647 1.00 0.00 N ATOM 612 CA GLU A 39 6.840 10.211 -3.661 1.00 0.00 C ATOM 613 C GLU A 39 6.839 9.072 -2.645 1.00 0.00 C ATOM 614 O GLU A 39 7.587 8.104 -2.788 1.00 0.00 O ATOM 615 CB GLU A 39 8.018 11.165 -3.407 1.00 0.00 C ATOM 616 CG GLU A 39 8.128 11.711 -1.988 1.00 0.00 C ATOM 617 CD GLU A 39 6.919 12.517 -1.560 1.00 0.00 C ATOM 618 OE1 GLU A 39 6.663 13.579 -2.158 1.00 0.00 O ATOM 619 OE2 GLU A 39 6.212 12.078 -0.639 1.00 0.00 O ATOM 0 H GLU A 39 5.570 11.814 -3.165 1.00 0.00 H new ATOM 0 HA GLU A 39 6.971 9.789 -4.657 1.00 0.00 H new ATOM 0 HB2 GLU A 39 8.944 10.643 -3.649 1.00 0.00 H new ATOM 0 HB3 GLU A 39 7.936 12.006 -4.096 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.265 10.880 -1.296 1.00 0.00 H new ATOM 0 HG3 GLU A 39 9.017 12.337 -1.915 1.00 0.00 H new ATOM 626 N ASN A 40 5.984 9.196 -1.628 1.00 0.00 N ATOM 627 CA ASN A 40 5.810 8.145 -0.617 1.00 0.00 C ATOM 628 C ASN A 40 5.574 6.792 -1.282 1.00 0.00 C ATOM 629 O ASN A 40 6.374 5.865 -1.135 1.00 0.00 O ATOM 630 CB ASN A 40 4.632 8.459 0.327 1.00 0.00 C ATOM 631 CG ASN A 40 4.974 9.477 1.404 1.00 0.00 C ATOM 632 OD1 ASN A 40 5.469 9.123 2.472 1.00 0.00 O ATOM 633 ND2 ASN A 40 4.695 10.740 1.143 1.00 0.00 N ATOM 0 H ASN A 40 5.397 10.017 -1.480 1.00 0.00 H new ATOM 0 HA ASN A 40 6.728 8.108 -0.030 1.00 0.00 H new ATOM 0 HB2 ASN A 40 3.794 8.832 -0.262 1.00 0.00 H new ATOM 0 HB3 ASN A 40 4.301 7.536 0.803 1.00 0.00 H new ATOM 0 HD21 ASN A 40 4.890 11.460 1.839 1.00 0.00 H new ATOM 0 HD22 ASN A 40 4.284 10.997 0.245 1.00 0.00 H new ATOM 640 N VAL A 41 4.478 6.694 -2.034 1.00 0.00 N ATOM 641 CA VAL A 41 4.103 5.435 -2.674 1.00 0.00 C ATOM 642 C VAL A 41 5.150 5.011 -3.700 1.00 0.00 C ATOM 643 O VAL A 41 5.389 3.823 -3.889 1.00 0.00 O ATOM 644 CB VAL A 41 2.711 5.508 -3.354 1.00 0.00 C ATOM 645 CG1 VAL A 41 1.623 5.773 -2.317 1.00 0.00 C ATOM 646 CG2 VAL A 41 2.687 6.570 -4.454 1.00 0.00 C ATOM 0 H VAL A 41 3.838 7.467 -2.214 1.00 0.00 H new ATOM 0 HA VAL A 41 4.050 4.690 -1.880 1.00 0.00 H new ATOM 0 HB VAL A 41 2.513 4.544 -3.822 1.00 0.00 H new ATOM 0 HG11 VAL A 41 0.653 5.821 -2.812 1.00 0.00 H new ATOM 0 HG12 VAL A 41 1.616 4.968 -1.583 1.00 0.00 H new ATOM 0 HG13 VAL A 41 1.822 6.720 -1.815 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.698 6.597 -4.912 1.00 0.00 H new ATOM 0 HG22 VAL A 41 2.915 7.545 -4.023 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.431 6.326 -5.212 1.00 0.00 H new ATOM 656 N THR A 42 5.783 5.986 -4.345 1.00 0.00 N ATOM 657 CA THR A 42 6.818 5.705 -5.334 1.00 0.00 C ATOM 658 C THR A 42 8.033 5.049 -4.668 1.00 0.00 C ATOM 659 O THR A 42 8.645 4.142 -5.231 1.00 0.00 O ATOM 660 CB THR A 42 7.238 6.994 -6.077 1.00 0.00 C ATOM 661 OG1 THR A 42 6.075 7.627 -6.634 1.00 0.00 O ATOM 662 CG2 THR A 42 8.237 6.692 -7.195 1.00 0.00 C ATOM 0 H THR A 42 5.597 6.978 -4.200 1.00 0.00 H new ATOM 0 HA THR A 42 6.407 5.011 -6.067 1.00 0.00 H new ATOM 0 HB THR A 42 7.719 7.658 -5.359 1.00 0.00 H new ATOM 0 HG1 THR A 42 5.613 8.135 -5.935 1.00 0.00 H new ATOM 0 HG21 THR A 42 8.512 7.619 -7.698 1.00 0.00 H new ATOM 0 HG22 THR A 42 9.129 6.231 -6.771 1.00 0.00 H new ATOM 0 HG23 THR A 42 7.783 6.010 -7.914 1.00 0.00 H new ATOM 670 N PHE A 43 8.353 5.497 -3.455 1.00 0.00 N ATOM 671 CA PHE A 43 9.434 4.905 -2.666 1.00 0.00 C ATOM 672 C PHE A 43 9.095 3.453 -2.338 1.00 0.00 C ATOM 673 O PHE A 43 9.926 2.551 -2.483 1.00 0.00 O ATOM 674 CB PHE A 43 9.642 5.711 -1.372 1.00 0.00 C ATOM 675 CG PHE A 43 10.686 5.145 -0.435 1.00 0.00 C ATOM 676 CD1 PHE A 43 12.022 5.496 -0.563 1.00 0.00 C ATOM 677 CD2 PHE A 43 10.327 4.265 0.580 1.00 0.00 C ATOM 678 CE1 PHE A 43 12.975 4.984 0.298 1.00 0.00 C ATOM 679 CE2 PHE A 43 11.277 3.749 1.442 1.00 0.00 C ATOM 680 CZ PHE A 43 12.603 4.109 1.300 1.00 0.00 C ATOM 0 H PHE A 43 7.876 6.272 -2.995 1.00 0.00 H new ATOM 0 HA PHE A 43 10.358 4.930 -3.244 1.00 0.00 H new ATOM 0 HB2 PHE A 43 9.925 6.730 -1.636 1.00 0.00 H new ATOM 0 HB3 PHE A 43 8.692 5.772 -0.841 1.00 0.00 H new ATOM 0 HD1 PHE A 43 12.322 6.178 -1.345 1.00 0.00 H new ATOM 0 HD2 PHE A 43 9.292 3.981 0.697 1.00 0.00 H new ATOM 0 HE1 PHE A 43 14.011 5.268 0.187 1.00 0.00 H new ATOM 0 HE2 PHE A 43 10.983 3.066 2.225 1.00 0.00 H new ATOM 0 HZ PHE A 43 13.348 3.707 1.971 1.00 0.00 H new ATOM 690 N TRP A 44 7.857 3.242 -1.907 1.00 0.00 N ATOM 691 CA TRP A 44 7.370 1.913 -1.557 1.00 0.00 C ATOM 692 C TRP A 44 7.363 1.010 -2.797 1.00 0.00 C ATOM 693 O TRP A 44 7.779 -0.149 -2.742 1.00 0.00 O ATOM 694 CB TRP A 44 5.963 2.029 -0.948 1.00 0.00 C ATOM 695 CG TRP A 44 5.420 0.746 -0.380 1.00 0.00 C ATOM 696 CD1 TRP A 44 5.577 0.275 0.895 1.00 0.00 C ATOM 697 CD2 TRP A 44 4.625 -0.225 -1.071 1.00 0.00 C ATOM 698 NE1 TRP A 44 4.924 -0.927 1.040 1.00 0.00 N ATOM 699 CE2 TRP A 44 4.335 -1.256 -0.157 1.00 0.00 C ATOM 700 CE3 TRP A 44 4.132 -0.318 -2.376 1.00 0.00 C ATOM 701 CZ2 TRP A 44 3.571 -2.368 -0.513 1.00 0.00 C ATOM 702 CZ3 TRP A 44 3.377 -1.419 -2.726 1.00 0.00 C ATOM 703 CH2 TRP A 44 3.103 -2.430 -1.799 1.00 0.00 C ATOM 0 H TRP A 44 7.166 3.983 -1.791 1.00 0.00 H new ATOM 0 HA TRP A 44 8.033 1.462 -0.819 1.00 0.00 H new ATOM 0 HB2 TRP A 44 5.984 2.781 -0.159 1.00 0.00 H new ATOM 0 HB3 TRP A 44 5.278 2.391 -1.715 1.00 0.00 H new ATOM 0 HD1 TRP A 44 6.133 0.775 1.675 1.00 0.00 H new ATOM 0 HE1 TRP A 44 4.884 -1.482 1.895 1.00 0.00 H new ATOM 0 HE3 TRP A 44 4.338 0.458 -3.098 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 3.356 -3.151 0.199 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 2.992 -1.501 -3.732 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.509 -3.279 -2.104 1.00 0.00 H new ATOM 714 N LYS A 45 6.928 1.569 -3.926 1.00 0.00 N ATOM 715 CA LYS A 45 6.830 0.814 -5.174 1.00 0.00 C ATOM 716 C LYS A 45 8.193 0.668 -5.849 1.00 0.00 C ATOM 717 O LYS A 45 8.333 -0.065 -6.830 1.00 0.00 O ATOM 718 CB LYS A 45 5.828 1.472 -6.133 1.00 0.00 C ATOM 719 CG LYS A 45 4.396 1.489 -5.604 1.00 0.00 C ATOM 720 CD LYS A 45 3.394 1.893 -6.681 1.00 0.00 C ATOM 721 CE LYS A 45 3.383 0.899 -7.838 1.00 0.00 C ATOM 722 NZ LYS A 45 3.136 -0.494 -7.373 1.00 0.00 N ATOM 0 H LYS A 45 6.637 2.544 -4.002 1.00 0.00 H new ATOM 0 HA LYS A 45 6.470 -0.184 -4.924 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.146 2.496 -6.331 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.848 0.943 -7.086 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.139 0.501 -5.222 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.327 2.183 -4.766 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.397 1.957 -6.246 1.00 0.00 H new ATOM 0 HD3 LYS A 45 3.642 2.886 -7.056 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.612 1.184 -8.554 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.337 0.942 -8.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 2.951 -1.106 -8.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.972 -0.843 -6.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.312 -0.507 -6.739 1.00 0.00 H new ATOM 736 N ALA A 46 9.192 1.373 -5.332 1.00 0.00 N ATOM 737 CA ALA A 46 10.562 1.218 -5.807 1.00 0.00 C ATOM 738 C ALA A 46 11.260 0.115 -5.025 1.00 0.00 C ATOM 739 O ALA A 46 12.013 -0.682 -5.586 1.00 0.00 O ATOM 740 CB ALA A 46 11.323 2.536 -5.685 1.00 0.00 C ATOM 0 H ALA A 46 9.080 2.057 -4.584 1.00 0.00 H new ATOM 0 HA ALA A 46 10.542 0.938 -6.860 1.00 0.00 H new ATOM 0 HB1 ALA A 46 12.343 2.402 -6.044 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.826 3.300 -6.283 1.00 0.00 H new ATOM 0 HB3 ALA A 46 11.344 2.849 -4.641 1.00 0.00 H new ATOM 746 N CYS A 47 10.982 0.052 -3.727 1.00 0.00 N ATOM 747 CA CYS A 47 11.600 -0.945 -2.865 1.00 0.00 C ATOM 748 C CYS A 47 10.942 -2.314 -3.044 1.00 0.00 C ATOM 749 O CYS A 47 11.537 -3.337 -2.701 1.00 0.00 O ATOM 750 CB CYS A 47 11.555 -0.495 -1.402 1.00 0.00 C ATOM 751 SG CYS A 47 9.898 -0.156 -0.773 1.00 0.00 S ATOM 0 H CYS A 47 10.334 0.679 -3.251 1.00 0.00 H new ATOM 0 HA CYS A 47 12.646 -1.044 -3.156 1.00 0.00 H new ATOM 0 HB2 CYS A 47 12.014 -1.267 -0.784 1.00 0.00 H new ATOM 0 HB3 CYS A 47 12.162 0.404 -1.293 1.00 0.00 H new ATOM 0 HG CYS A 47 9.018 -0.468 -1.678 1.00 0.00 H new ATOM 757 N GLU A 48 9.718 -2.343 -3.585 1.00 0.00 N ATOM 758 CA GLU A 48 9.082 -3.617 -3.932 1.00 0.00 C ATOM 759 C GLU A 48 9.806 -4.227 -5.135 1.00 0.00 C ATOM 760 O GLU A 48 9.875 -5.447 -5.287 1.00 0.00 O ATOM 761 CB GLU A 48 7.577 -3.452 -4.236 1.00 0.00 C ATOM 762 CG GLU A 48 7.264 -2.830 -5.596 1.00 0.00 C ATOM 763 CD GLU A 48 5.778 -2.874 -5.944 1.00 0.00 C ATOM 764 OE1 GLU A 48 5.237 -3.985 -6.128 1.00 0.00 O ATOM 765 OE2 GLU A 48 5.143 -1.804 -6.037 1.00 0.00 O ATOM 0 H GLU A 48 9.158 -1.515 -3.789 1.00 0.00 H new ATOM 0 HA GLU A 48 9.160 -4.283 -3.072 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.100 -4.430 -4.181 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.129 -2.835 -3.458 1.00 0.00 H new ATOM 0 HG2 GLU A 48 7.602 -1.794 -5.602 1.00 0.00 H new ATOM 0 HG3 GLU A 48 7.828 -3.354 -6.368 1.00 0.00 H new ATOM 772 N ARG A 49 10.360 -3.354 -5.974 1.00 0.00 N ATOM 773 CA ARG A 49 11.136 -3.771 -7.140 1.00 0.00 C ATOM 774 C ARG A 49 12.511 -4.271 -6.698 1.00 0.00 C ATOM 775 O ARG A 49 13.074 -5.195 -7.286 1.00 0.00 O ATOM 776 CB ARG A 49 11.287 -2.595 -8.117 1.00 0.00 C ATOM 777 CG ARG A 49 9.959 -2.016 -8.592 1.00 0.00 C ATOM 778 CD ARG A 49 10.160 -0.816 -9.512 1.00 0.00 C ATOM 779 NE ARG A 49 8.899 -0.124 -9.795 1.00 0.00 N ATOM 780 CZ ARG A 49 8.535 0.314 -11.004 1.00 0.00 C ATOM 781 NH1 ARG A 49 9.326 0.121 -12.054 1.00 0.00 N ATOM 782 NH2 ARG A 49 7.382 0.953 -11.158 1.00 0.00 N ATOM 0 H ARG A 49 10.284 -2.343 -5.866 1.00 0.00 H new ATOM 0 HA ARG A 49 10.613 -4.582 -7.646 1.00 0.00 H new ATOM 0 HB2 ARG A 49 11.865 -1.806 -7.635 1.00 0.00 H new ATOM 0 HB3 ARG A 49 11.859 -2.926 -8.984 1.00 0.00 H new ATOM 0 HG2 ARG A 49 9.394 -2.786 -9.117 1.00 0.00 H new ATOM 0 HG3 ARG A 49 9.364 -1.717 -7.729 1.00 0.00 H new ATOM 0 HD2 ARG A 49 10.860 -0.119 -9.051 1.00 0.00 H new ATOM 0 HD3 ARG A 49 10.609 -1.148 -10.448 1.00 0.00 H new ATOM 0 HE ARG A 49 8.257 0.034 -9.018 1.00 0.00 H new ATOM 0 HH11 ARG A 49 10.216 -0.364 -11.940 1.00 0.00 H new ATOM 0 HH12 ARG A 49 9.043 0.457 -12.974 1.00 0.00 H new ATOM 0 HH21 ARG A 49 6.774 1.110 -10.354 1.00 0.00 H new ATOM 0 HH22 ARG A 49 7.104 1.288 -12.080 1.00 0.00 H new ATOM 796 N PHE A 50 13.028 -3.653 -5.639 1.00 0.00 N ATOM 797 CA PHE A 50 14.333 -4.001 -5.074 1.00 0.00 C ATOM 798 C PHE A 50 14.347 -5.460 -4.599 1.00 0.00 C ATOM 799 O PHE A 50 15.398 -6.100 -4.553 1.00 0.00 O ATOM 800 CB PHE A 50 14.648 -3.049 -3.907 1.00 0.00 C ATOM 801 CG PHE A 50 16.056 -3.156 -3.364 1.00 0.00 C ATOM 802 CD1 PHE A 50 17.092 -2.440 -3.947 1.00 0.00 C ATOM 803 CD2 PHE A 50 16.341 -3.957 -2.267 1.00 0.00 C ATOM 804 CE1 PHE A 50 18.378 -2.521 -3.449 1.00 0.00 C ATOM 805 CE2 PHE A 50 17.627 -4.043 -1.767 1.00 0.00 C ATOM 806 CZ PHE A 50 18.647 -3.324 -2.359 1.00 0.00 C ATOM 0 H PHE A 50 12.555 -2.896 -5.146 1.00 0.00 H new ATOM 0 HA PHE A 50 15.097 -3.894 -5.844 1.00 0.00 H new ATOM 0 HB2 PHE A 50 14.477 -2.024 -4.236 1.00 0.00 H new ATOM 0 HB3 PHE A 50 13.945 -3.245 -3.097 1.00 0.00 H new ATOM 0 HD1 PHE A 50 16.890 -1.811 -4.801 1.00 0.00 H new ATOM 0 HD2 PHE A 50 15.548 -4.520 -1.798 1.00 0.00 H new ATOM 0 HE1 PHE A 50 19.173 -1.956 -3.913 1.00 0.00 H new ATOM 0 HE2 PHE A 50 17.834 -4.672 -0.914 1.00 0.00 H new ATOM 0 HZ PHE A 50 19.652 -3.390 -1.970 1.00 0.00 H new ATOM 816 N GLN A 51 13.161 -5.982 -4.275 1.00 0.00 N ATOM 817 CA GLN A 51 13.013 -7.350 -3.757 1.00 0.00 C ATOM 818 C GLN A 51 13.435 -8.388 -4.799 1.00 0.00 C ATOM 819 O GLN A 51 13.666 -9.554 -4.472 1.00 0.00 O ATOM 820 CB GLN A 51 11.557 -7.600 -3.331 1.00 0.00 C ATOM 821 CG GLN A 51 11.014 -6.546 -2.372 1.00 0.00 C ATOM 822 CD GLN A 51 11.780 -6.486 -1.062 1.00 0.00 C ATOM 823 OE1 GLN A 51 12.248 -7.503 -0.552 1.00 0.00 O ATOM 824 NE2 GLN A 51 11.945 -5.284 -0.532 1.00 0.00 N ATOM 0 H GLN A 51 12.280 -5.475 -4.362 1.00 0.00 H new ATOM 0 HA GLN A 51 13.667 -7.452 -2.891 1.00 0.00 H new ATOM 0 HB2 GLN A 51 10.927 -7.630 -4.220 1.00 0.00 H new ATOM 0 HB3 GLN A 51 11.488 -8.580 -2.858 1.00 0.00 H new ATOM 0 HG2 GLN A 51 11.053 -5.569 -2.854 1.00 0.00 H new ATOM 0 HG3 GLN A 51 9.965 -6.758 -2.164 1.00 0.00 H new ATOM 0 HE21 GLN A 51 11.540 -4.466 -0.987 1.00 0.00 H new ATOM 0 HE22 GLN A 51 12.477 -5.176 0.331 1.00 0.00 H new ATOM 833 N GLN A 52 13.529 -7.959 -6.056 1.00 0.00 N ATOM 834 CA GLN A 52 13.927 -8.845 -7.147 1.00 0.00 C ATOM 835 C GLN A 52 15.416 -9.184 -7.068 1.00 0.00 C ATOM 836 O GLN A 52 15.892 -10.093 -7.752 1.00 0.00 O ATOM 837 CB GLN A 52 13.604 -8.204 -8.502 1.00 0.00 C ATOM 838 CG GLN A 52 12.111 -8.072 -8.797 1.00 0.00 C ATOM 839 CD GLN A 52 11.417 -9.412 -9.019 1.00 0.00 C ATOM 840 OE1 GLN A 52 11.802 -10.439 -8.452 1.00 0.00 O ATOM 841 NE2 GLN A 52 10.392 -9.413 -9.857 1.00 0.00 N ATOM 0 H GLN A 52 13.334 -7.000 -6.344 1.00 0.00 H new ATOM 0 HA GLN A 52 13.361 -9.771 -7.049 1.00 0.00 H new ATOM 0 HB2 GLN A 52 14.058 -7.214 -8.540 1.00 0.00 H new ATOM 0 HB3 GLN A 52 14.067 -8.797 -9.291 1.00 0.00 H new ATOM 0 HG2 GLN A 52 11.629 -7.554 -7.968 1.00 0.00 H new ATOM 0 HG3 GLN A 52 11.977 -7.450 -9.682 1.00 0.00 H new ATOM 0 HE21 GLN A 52 10.101 -8.546 -10.308 1.00 0.00 H new ATOM 0 HE22 GLN A 52 9.893 -10.281 -10.052 1.00 0.00 H new ATOM 850 N ILE A 53 16.145 -8.442 -6.241 1.00 0.00 N ATOM 851 CA ILE A 53 17.567 -8.686 -6.024 1.00 0.00 C ATOM 852 C ILE A 53 17.759 -9.396 -4.678 1.00 0.00 C ATOM 853 O ILE A 53 17.694 -8.760 -3.627 1.00 0.00 O ATOM 854 CB ILE A 53 18.382 -7.364 -6.025 1.00 0.00 C ATOM 855 CG1 ILE A 53 17.827 -6.381 -7.070 1.00 0.00 C ATOM 856 CG2 ILE A 53 19.860 -7.655 -6.300 1.00 0.00 C ATOM 857 CD1 ILE A 53 18.461 -5.005 -7.012 1.00 0.00 C ATOM 0 H ILE A 53 15.770 -7.659 -5.705 1.00 0.00 H new ATOM 0 HA ILE A 53 17.931 -9.309 -6.841 1.00 0.00 H new ATOM 0 HB ILE A 53 18.291 -6.903 -5.041 1.00 0.00 H new ATOM 0 HG12 ILE A 53 17.979 -6.799 -8.065 1.00 0.00 H new ATOM 0 HG13 ILE A 53 16.751 -6.282 -6.926 1.00 0.00 H new ATOM 0 HG21 ILE A 53 20.421 -6.721 -6.298 1.00 0.00 H new ATOM 0 HG22 ILE A 53 20.251 -8.315 -5.525 1.00 0.00 H new ATOM 0 HG23 ILE A 53 19.961 -8.137 -7.272 1.00 0.00 H new ATOM 0 HD11 ILE A 53 18.019 -4.368 -7.778 1.00 0.00 H new ATOM 0 HD12 ILE A 53 18.287 -4.565 -6.030 1.00 0.00 H new ATOM 0 HD13 ILE A 53 19.534 -5.091 -7.186 1.00 0.00 H new ATOM 869 N PRO A 54 17.986 -10.727 -4.690 1.00 0.00 N ATOM 870 CA PRO A 54 18.054 -11.526 -3.456 1.00 0.00 C ATOM 871 C PRO A 54 19.237 -11.146 -2.558 1.00 0.00 C ATOM 872 O PRO A 54 19.067 -10.982 -1.351 1.00 0.00 O ATOM 873 CB PRO A 54 18.197 -12.970 -3.970 1.00 0.00 C ATOM 874 CG PRO A 54 18.755 -12.834 -5.347 1.00 0.00 C ATOM 875 CD PRO A 54 18.192 -11.552 -5.897 1.00 0.00 C ATOM 0 HA PRO A 54 17.177 -11.368 -2.828 1.00 0.00 H new ATOM 0 HB2 PRO A 54 18.860 -13.553 -3.331 1.00 0.00 H new ATOM 0 HB3 PRO A 54 17.235 -13.482 -3.982 1.00 0.00 H new ATOM 0 HG2 PRO A 54 19.844 -12.804 -5.325 1.00 0.00 H new ATOM 0 HG3 PRO A 54 18.471 -13.683 -5.969 1.00 0.00 H new ATOM 0 HD2 PRO A 54 18.881 -11.077 -6.596 1.00 0.00 H new ATOM 0 HD3 PRO A 54 17.258 -11.720 -6.434 1.00 0.00 H new ATOM 883 N ALA A 55 20.421 -11.010 -3.168 1.00 0.00 N ATOM 884 CA ALA A 55 21.683 -10.744 -2.451 1.00 0.00 C ATOM 885 C ALA A 55 22.858 -11.090 -3.361 1.00 0.00 C ATOM 886 O ALA A 55 23.946 -10.523 -3.243 1.00 0.00 O ATOM 887 CB ALA A 55 21.790 -11.568 -1.165 1.00 0.00 C ATOM 0 H ALA A 55 20.535 -11.081 -4.179 1.00 0.00 H new ATOM 0 HA ALA A 55 21.700 -9.688 -2.180 1.00 0.00 H new ATOM 0 HB1 ALA A 55 22.733 -11.344 -0.666 1.00 0.00 H new ATOM 0 HB2 ALA A 55 20.961 -11.318 -0.503 1.00 0.00 H new ATOM 0 HB3 ALA A 55 21.752 -12.630 -1.409 1.00 0.00 H new ATOM 893 N SER A 56 22.603 -12.028 -4.276 1.00 0.00 N ATOM 894 CA SER A 56 23.616 -12.579 -5.170 1.00 0.00 C ATOM 895 C SER A 56 24.412 -11.484 -5.876 1.00 0.00 C ATOM 896 O SER A 56 25.638 -11.406 -5.742 1.00 0.00 O ATOM 897 CB SER A 56 22.927 -13.487 -6.196 1.00 0.00 C ATOM 898 OG SER A 56 21.768 -12.855 -6.720 1.00 0.00 O ATOM 0 H SER A 56 21.676 -12.429 -4.416 1.00 0.00 H new ATOM 0 HA SER A 56 24.327 -13.154 -4.577 1.00 0.00 H new ATOM 0 HB2 SER A 56 23.618 -13.721 -7.006 1.00 0.00 H new ATOM 0 HB3 SER A 56 22.653 -14.432 -5.728 1.00 0.00 H new ATOM 0 HG SER A 56 21.341 -13.446 -7.374 1.00 0.00 H new ATOM 904 N ASP A 57 23.718 -10.648 -6.637 1.00 0.00 N ATOM 905 CA ASP A 57 24.370 -9.553 -7.348 1.00 0.00 C ATOM 906 C ASP A 57 24.447 -8.330 -6.437 1.00 0.00 C ATOM 907 O ASP A 57 23.569 -7.461 -6.460 1.00 0.00 O ATOM 908 CB ASP A 57 23.625 -9.217 -8.652 1.00 0.00 C ATOM 909 CG ASP A 57 24.498 -8.452 -9.644 1.00 0.00 C ATOM 910 OD1 ASP A 57 25.003 -7.366 -9.295 1.00 0.00 O ATOM 911 OD2 ASP A 57 24.699 -8.950 -10.775 1.00 0.00 O ATOM 0 H ASP A 57 22.709 -10.705 -6.778 1.00 0.00 H new ATOM 0 HA ASP A 57 25.380 -9.861 -7.619 1.00 0.00 H new ATOM 0 HB2 ASP A 57 23.277 -10.140 -9.116 1.00 0.00 H new ATOM 0 HB3 ASP A 57 22.741 -8.624 -8.419 1.00 0.00 H new ATOM 916 N THR A 58 25.483 -8.295 -5.603 1.00 0.00 N ATOM 917 CA THR A 58 25.672 -7.215 -4.640 1.00 0.00 C ATOM 918 C THR A 58 25.813 -5.866 -5.349 1.00 0.00 C ATOM 919 O THR A 58 25.424 -4.823 -4.816 1.00 0.00 O ATOM 920 CB THR A 58 26.919 -7.478 -3.764 1.00 0.00 C ATOM 921 OG1 THR A 58 26.846 -8.801 -3.207 1.00 0.00 O ATOM 922 CG2 THR A 58 27.037 -6.454 -2.636 1.00 0.00 C ATOM 0 H THR A 58 26.210 -9.010 -5.576 1.00 0.00 H new ATOM 0 HA THR A 58 24.790 -7.182 -4.001 1.00 0.00 H new ATOM 0 HB THR A 58 27.802 -7.387 -4.397 1.00 0.00 H new ATOM 0 HG1 THR A 58 27.637 -8.967 -2.653 1.00 0.00 H new ATOM 0 HG21 THR A 58 27.924 -6.669 -2.041 1.00 0.00 H new ATOM 0 HG22 THR A 58 27.119 -5.453 -3.060 1.00 0.00 H new ATOM 0 HG23 THR A 58 26.152 -6.508 -2.001 1.00 0.00 H new ATOM 930 N GLN A 59 26.348 -5.900 -6.564 1.00 0.00 N ATOM 931 CA GLN A 59 26.560 -4.690 -7.345 1.00 0.00 C ATOM 932 C GLN A 59 25.221 -4.064 -7.724 1.00 0.00 C ATOM 933 O GLN A 59 25.047 -2.844 -7.635 1.00 0.00 O ATOM 934 CB GLN A 59 27.374 -5.003 -8.606 1.00 0.00 C ATOM 935 CG GLN A 59 28.727 -5.647 -8.319 1.00 0.00 C ATOM 936 CD GLN A 59 29.494 -5.986 -9.584 1.00 0.00 C ATOM 937 OE1 GLN A 59 28.904 -6.265 -10.630 1.00 0.00 O ATOM 938 NE2 GLN A 59 30.813 -5.969 -9.500 1.00 0.00 N ATOM 0 H GLN A 59 26.644 -6.758 -7.030 1.00 0.00 H new ATOM 0 HA GLN A 59 27.120 -3.979 -6.737 1.00 0.00 H new ATOM 0 HB2 GLN A 59 26.794 -5.667 -9.246 1.00 0.00 H new ATOM 0 HB3 GLN A 59 27.532 -4.080 -9.164 1.00 0.00 H new ATOM 0 HG2 GLN A 59 29.324 -4.971 -7.707 1.00 0.00 H new ATOM 0 HG3 GLN A 59 28.576 -6.555 -7.736 1.00 0.00 H new ATOM 0 HE21 GLN A 59 31.265 -5.733 -8.616 1.00 0.00 H new ATOM 0 HE22 GLN A 59 31.379 -6.192 -10.319 1.00 0.00 H new ATOM 947 N GLN A 60 24.270 -4.906 -8.127 1.00 0.00 N ATOM 948 CA GLN A 60 22.950 -4.434 -8.522 1.00 0.00 C ATOM 949 C GLN A 60 22.214 -3.851 -7.319 1.00 0.00 C ATOM 950 O GLN A 60 21.485 -2.863 -7.447 1.00 0.00 O ATOM 951 CB GLN A 60 22.116 -5.554 -9.150 1.00 0.00 C ATOM 952 CG GLN A 60 20.853 -5.034 -9.824 1.00 0.00 C ATOM 953 CD GLN A 60 19.896 -6.126 -10.257 1.00 0.00 C ATOM 954 OE1 GLN A 60 20.297 -7.249 -10.567 1.00 0.00 O ATOM 955 NE2 GLN A 60 18.617 -5.799 -10.287 1.00 0.00 N ATOM 0 H GLN A 60 24.392 -5.917 -8.187 1.00 0.00 H new ATOM 0 HA GLN A 60 23.089 -3.656 -9.272 1.00 0.00 H new ATOM 0 HB2 GLN A 60 22.722 -6.086 -9.883 1.00 0.00 H new ATOM 0 HB3 GLN A 60 21.842 -6.274 -8.379 1.00 0.00 H new ATOM 0 HG2 GLN A 60 20.337 -4.363 -9.138 1.00 0.00 H new ATOM 0 HG3 GLN A 60 21.135 -4.444 -10.696 1.00 0.00 H new ATOM 0 HE21 GLN A 60 18.325 -4.858 -10.023 1.00 0.00 H new ATOM 0 HE22 GLN A 60 17.921 -6.487 -10.574 1.00 0.00 H new ATOM 964 N LEU A 61 22.416 -4.465 -6.150 1.00 0.00 N ATOM 965 CA LEU A 61 21.852 -3.948 -4.902 1.00 0.00 C ATOM 966 C LEU A 61 22.192 -2.466 -4.760 1.00 0.00 C ATOM 967 O LEU A 61 21.342 -1.648 -4.412 1.00 0.00 O ATOM 968 CB LEU A 61 22.395 -4.724 -3.688 1.00 0.00 C ATOM 969 CG LEU A 61 21.886 -6.167 -3.515 1.00 0.00 C ATOM 970 CD1 LEU A 61 22.645 -6.874 -2.393 1.00 0.00 C ATOM 971 CD2 LEU A 61 20.386 -6.179 -3.225 1.00 0.00 C ATOM 0 H LEU A 61 22.964 -5.318 -6.043 1.00 0.00 H new ATOM 0 HA LEU A 61 20.770 -4.076 -4.935 1.00 0.00 H new ATOM 0 HB2 LEU A 61 23.482 -4.751 -3.758 1.00 0.00 H new ATOM 0 HB3 LEU A 61 22.148 -4.164 -2.786 1.00 0.00 H new ATOM 0 HG LEU A 61 22.063 -6.703 -4.447 1.00 0.00 H new ATOM 0 HD11 LEU A 61 22.271 -7.892 -2.286 1.00 0.00 H new ATOM 0 HD12 LEU A 61 23.708 -6.901 -2.634 1.00 0.00 H new ATOM 0 HD13 LEU A 61 22.498 -6.334 -1.458 1.00 0.00 H new ATOM 0 HD21 LEU A 61 20.047 -7.208 -3.106 1.00 0.00 H new ATOM 0 HD22 LEU A 61 20.188 -5.624 -2.308 1.00 0.00 H new ATOM 0 HD23 LEU A 61 19.852 -5.714 -4.053 1.00 0.00 H new ATOM 983 N ALA A 62 23.444 -2.132 -5.068 1.00 0.00 N ATOM 984 CA ALA A 62 23.919 -0.755 -4.998 1.00 0.00 C ATOM 985 C ALA A 62 23.260 0.111 -6.073 1.00 0.00 C ATOM 986 O ALA A 62 22.983 1.289 -5.846 1.00 0.00 O ATOM 987 CB ALA A 62 25.437 -0.714 -5.137 1.00 0.00 C ATOM 0 H ALA A 62 24.151 -2.803 -5.370 1.00 0.00 H new ATOM 0 HA ALA A 62 23.643 -0.349 -4.025 1.00 0.00 H new ATOM 0 HB1 ALA A 62 25.780 0.319 -5.083 1.00 0.00 H new ATOM 0 HB2 ALA A 62 25.892 -1.290 -4.331 1.00 0.00 H new ATOM 0 HB3 ALA A 62 25.726 -1.143 -6.097 1.00 0.00 H new ATOM 993 N GLN A 63 22.999 -0.483 -7.238 1.00 0.00 N ATOM 994 CA GLN A 63 22.432 0.253 -8.372 1.00 0.00 C ATOM 995 C GLN A 63 21.040 0.785 -8.036 1.00 0.00 C ATOM 996 O GLN A 63 20.757 1.974 -8.206 1.00 0.00 O ATOM 997 CB GLN A 63 22.364 -0.635 -9.623 1.00 0.00 C ATOM 998 CG GLN A 63 23.710 -1.213 -10.054 1.00 0.00 C ATOM 999 CD GLN A 63 24.787 -0.154 -10.214 1.00 0.00 C ATOM 1000 OE1 GLN A 63 24.949 0.429 -11.287 1.00 0.00 O ATOM 1001 NE2 GLN A 63 25.541 0.089 -9.154 1.00 0.00 N ATOM 0 H GLN A 63 23.171 -1.471 -7.423 1.00 0.00 H new ATOM 0 HA GLN A 63 23.089 1.098 -8.578 1.00 0.00 H new ATOM 0 HB2 GLN A 63 21.672 -1.456 -9.435 1.00 0.00 H new ATOM 0 HB3 GLN A 63 21.951 -0.052 -10.446 1.00 0.00 H new ATOM 0 HG2 GLN A 63 24.037 -1.947 -9.317 1.00 0.00 H new ATOM 0 HG3 GLN A 63 23.586 -1.743 -10.998 1.00 0.00 H new ATOM 0 HE21 GLN A 63 25.375 -0.415 -8.283 1.00 0.00 H new ATOM 0 HE22 GLN A 63 26.289 0.781 -9.208 1.00 0.00 H new ATOM 1010 N GLU A 64 20.170 -0.102 -7.566 1.00 0.00 N ATOM 1011 CA GLU A 64 18.813 0.286 -7.192 1.00 0.00 C ATOM 1012 C GLU A 64 18.821 1.125 -5.913 1.00 0.00 C ATOM 1013 O GLU A 64 18.026 2.058 -5.772 1.00 0.00 O ATOM 1014 CB GLU A 64 17.914 -0.954 -7.033 1.00 0.00 C ATOM 1015 CG GLU A 64 17.155 -1.350 -8.303 1.00 0.00 C ATOM 1016 CD GLU A 64 18.059 -1.687 -9.483 1.00 0.00 C ATOM 1017 OE1 GLU A 64 18.480 -0.757 -10.207 1.00 0.00 O ATOM 1018 OE2 GLU A 64 18.331 -2.882 -9.709 1.00 0.00 O ATOM 0 H GLU A 64 20.378 -1.092 -7.435 1.00 0.00 H new ATOM 0 HA GLU A 64 18.401 0.899 -7.994 1.00 0.00 H new ATOM 0 HB2 GLU A 64 18.529 -1.796 -6.714 1.00 0.00 H new ATOM 0 HB3 GLU A 64 17.193 -0.766 -6.237 1.00 0.00 H new ATOM 0 HG2 GLU A 64 16.524 -2.211 -8.084 1.00 0.00 H new ATOM 0 HG3 GLU A 64 16.492 -0.533 -8.588 1.00 0.00 H new ATOM 1025 N ALA A 65 19.730 0.806 -4.991 1.00 0.00 N ATOM 1026 CA ALA A 65 19.850 1.551 -3.737 1.00 0.00 C ATOM 1027 C ALA A 65 20.165 3.023 -3.999 1.00 0.00 C ATOM 1028 O ALA A 65 19.469 3.911 -3.507 1.00 0.00 O ATOM 1029 CB ALA A 65 20.913 0.932 -2.836 1.00 0.00 C ATOM 0 H ALA A 65 20.393 0.037 -5.089 1.00 0.00 H new ATOM 0 HA ALA A 65 18.889 1.494 -3.225 1.00 0.00 H new ATOM 0 HB1 ALA A 65 20.983 1.504 -1.911 1.00 0.00 H new ATOM 0 HB2 ALA A 65 20.641 -0.098 -2.607 1.00 0.00 H new ATOM 0 HB3 ALA A 65 21.876 0.948 -3.346 1.00 0.00 H new ATOM 1035 N ARG A 66 21.211 3.272 -4.785 1.00 0.00 N ATOM 1036 CA ARG A 66 21.640 4.638 -5.090 1.00 0.00 C ATOM 1037 C ARG A 66 20.568 5.363 -5.907 1.00 0.00 C ATOM 1038 O ARG A 66 20.409 6.578 -5.800 1.00 0.00 O ATOM 1039 CB ARG A 66 22.995 4.626 -5.832 1.00 0.00 C ATOM 1040 CG ARG A 66 22.935 4.080 -7.262 1.00 0.00 C ATOM 1041 CD ARG A 66 22.726 5.185 -8.298 1.00 0.00 C ATOM 1042 NE ARG A 66 22.201 4.667 -9.563 1.00 0.00 N ATOM 1043 CZ ARG A 66 22.947 4.244 -10.585 1.00 0.00 C ATOM 1044 NH1 ARG A 66 24.272 4.214 -10.494 1.00 0.00 N ATOM 1045 NH2 ARG A 66 22.355 3.844 -11.701 1.00 0.00 N ATOM 0 H ARG A 66 21.778 2.546 -5.223 1.00 0.00 H new ATOM 0 HA ARG A 66 21.775 5.180 -4.154 1.00 0.00 H new ATOM 0 HB2 ARG A 66 23.387 5.643 -5.862 1.00 0.00 H new ATOM 0 HB3 ARG A 66 23.703 4.028 -5.258 1.00 0.00 H new ATOM 0 HG2 ARG A 66 23.860 3.547 -7.484 1.00 0.00 H new ATOM 0 HG3 ARG A 66 22.124 3.356 -7.338 1.00 0.00 H new ATOM 0 HD2 ARG A 66 22.037 5.929 -7.899 1.00 0.00 H new ATOM 0 HD3 ARG A 66 23.673 5.693 -8.481 1.00 0.00 H new ATOM 0 HE ARG A 66 21.188 4.626 -9.671 1.00 0.00 H new ATOM 0 HH11 ARG A 66 24.731 4.517 -9.635 1.00 0.00 H new ATOM 0 HH12 ARG A 66 24.830 3.888 -11.283 1.00 0.00 H new ATOM 0 HH21 ARG A 66 21.338 3.861 -11.773 1.00 0.00 H new ATOM 0 HH22 ARG A 66 22.917 3.519 -12.488 1.00 0.00 H new ATOM 1059 N ASN A 67 19.835 4.599 -6.715 1.00 0.00 N ATOM 1060 CA ASN A 67 18.743 5.141 -7.524 1.00 0.00 C ATOM 1061 C ASN A 67 17.678 5.750 -6.615 1.00 0.00 C ATOM 1062 O ASN A 67 17.330 6.928 -6.741 1.00 0.00 O ATOM 1063 CB ASN A 67 18.136 4.026 -8.393 1.00 0.00 C ATOM 1064 CG ASN A 67 17.066 4.515 -9.363 1.00 0.00 C ATOM 1065 OD1 ASN A 67 16.344 5.474 -9.096 1.00 0.00 O ATOM 1066 ND2 ASN A 67 16.957 3.849 -10.503 1.00 0.00 N ATOM 0 H ASN A 67 19.979 3.595 -6.828 1.00 0.00 H new ATOM 0 HA ASN A 67 19.131 5.922 -8.178 1.00 0.00 H new ATOM 0 HB2 ASN A 67 18.933 3.545 -8.959 1.00 0.00 H new ATOM 0 HB3 ASN A 67 17.703 3.266 -7.742 1.00 0.00 H new ATOM 0 HD21 ASN A 67 16.258 4.127 -11.191 1.00 0.00 H new ATOM 0 HD22 ASN A 67 17.572 3.058 -10.692 1.00 0.00 H new ATOM 1073 N ILE A 68 17.185 4.934 -5.688 1.00 0.00 N ATOM 1074 CA ILE A 68 16.192 5.365 -4.709 1.00 0.00 C ATOM 1075 C ILE A 68 16.755 6.488 -3.837 1.00 0.00 C ATOM 1076 O ILE A 68 16.078 7.480 -3.549 1.00 0.00 O ATOM 1077 CB ILE A 68 15.763 4.175 -3.808 1.00 0.00 C ATOM 1078 CG1 ILE A 68 15.136 3.054 -4.660 1.00 0.00 C ATOM 1079 CG2 ILE A 68 14.796 4.628 -2.714 1.00 0.00 C ATOM 1080 CD1 ILE A 68 14.738 1.822 -3.868 1.00 0.00 C ATOM 0 H ILE A 68 17.462 3.957 -5.594 1.00 0.00 H new ATOM 0 HA ILE A 68 15.321 5.734 -5.250 1.00 0.00 H new ATOM 0 HB ILE A 68 16.655 3.783 -3.320 1.00 0.00 H new ATOM 0 HG12 ILE A 68 14.255 3.447 -5.167 1.00 0.00 H new ATOM 0 HG13 ILE A 68 15.845 2.761 -5.435 1.00 0.00 H new ATOM 0 HG21 ILE A 68 14.514 3.772 -2.100 1.00 0.00 H new ATOM 0 HG22 ILE A 68 15.279 5.379 -2.089 1.00 0.00 H new ATOM 0 HG23 ILE A 68 13.904 5.056 -3.171 1.00 0.00 H new ATOM 0 HD11 ILE A 68 14.305 1.081 -4.540 1.00 0.00 H new ATOM 0 HD12 ILE A 68 15.619 1.401 -3.383 1.00 0.00 H new ATOM 0 HD13 ILE A 68 14.004 2.098 -3.111 1.00 0.00 H new ATOM 1092 N TYR A 69 18.012 6.326 -3.444 1.00 0.00 N ATOM 1093 CA TYR A 69 18.684 7.268 -2.557 1.00 0.00 C ATOM 1094 C TYR A 69 18.710 8.679 -3.149 1.00 0.00 C ATOM 1095 O TYR A 69 18.311 9.646 -2.495 1.00 0.00 O ATOM 1096 CB TYR A 69 20.115 6.783 -2.274 1.00 0.00 C ATOM 1097 CG TYR A 69 20.942 7.742 -1.435 1.00 0.00 C ATOM 1098 CD1 TYR A 69 20.938 7.666 -0.044 1.00 0.00 C ATOM 1099 CD2 TYR A 69 21.723 8.723 -2.035 1.00 0.00 C ATOM 1100 CE1 TYR A 69 21.688 8.541 0.721 1.00 0.00 C ATOM 1101 CE2 TYR A 69 22.474 9.599 -1.282 1.00 0.00 C ATOM 1102 CZ TYR A 69 22.454 9.506 0.097 1.00 0.00 C ATOM 1103 OH TYR A 69 23.195 10.385 0.853 1.00 0.00 O ATOM 0 H TYR A 69 18.594 5.539 -3.731 1.00 0.00 H new ATOM 0 HA TYR A 69 18.123 7.314 -1.623 1.00 0.00 H new ATOM 0 HB2 TYR A 69 20.067 5.821 -1.764 1.00 0.00 H new ATOM 0 HB3 TYR A 69 20.624 6.616 -3.223 1.00 0.00 H new ATOM 0 HD1 TYR A 69 20.340 6.912 0.445 1.00 0.00 H new ATOM 0 HD2 TYR A 69 21.741 8.800 -3.112 1.00 0.00 H new ATOM 0 HE1 TYR A 69 21.675 8.470 1.799 1.00 0.00 H new ATOM 0 HE2 TYR A 69 23.075 10.354 -1.767 1.00 0.00 H new ATOM 0 HH TYR A 69 23.678 10.999 0.261 1.00 0.00 H new ATOM 1113 N GLN A 70 19.172 8.781 -4.387 1.00 0.00 N ATOM 1114 CA GLN A 70 19.396 10.076 -5.034 1.00 0.00 C ATOM 1115 C GLN A 70 18.106 10.878 -5.229 1.00 0.00 C ATOM 1116 O GLN A 70 18.161 12.076 -5.519 1.00 0.00 O ATOM 1117 CB GLN A 70 20.118 9.876 -6.371 1.00 0.00 C ATOM 1118 CG GLN A 70 21.620 9.646 -6.220 1.00 0.00 C ATOM 1119 CD GLN A 70 22.279 9.174 -7.506 1.00 0.00 C ATOM 1120 OE1 GLN A 70 21.818 9.482 -8.609 1.00 0.00 O ATOM 1121 NE2 GLN A 70 23.371 8.436 -7.377 1.00 0.00 N ATOM 0 H GLN A 70 19.402 7.978 -4.972 1.00 0.00 H new ATOM 0 HA GLN A 70 20.024 10.664 -4.365 1.00 0.00 H new ATOM 0 HB2 GLN A 70 19.678 9.024 -6.889 1.00 0.00 H new ATOM 0 HB3 GLN A 70 19.953 10.751 -6.999 1.00 0.00 H new ATOM 0 HG2 GLN A 70 22.093 10.572 -5.894 1.00 0.00 H new ATOM 0 HG3 GLN A 70 21.792 8.907 -5.437 1.00 0.00 H new ATOM 0 HE21 GLN A 70 23.722 8.202 -6.448 1.00 0.00 H new ATOM 0 HE22 GLN A 70 23.861 8.102 -8.206 1.00 0.00 H new ATOM 1130 N GLU A 71 16.951 10.238 -5.074 1.00 0.00 N ATOM 1131 CA GLU A 71 15.677 10.943 -5.210 1.00 0.00 C ATOM 1132 C GLU A 71 14.982 11.127 -3.865 1.00 0.00 C ATOM 1133 O GLU A 71 14.503 12.219 -3.553 1.00 0.00 O ATOM 1134 CB GLU A 71 14.736 10.210 -6.175 1.00 0.00 C ATOM 1135 CG GLU A 71 15.197 10.229 -7.627 1.00 0.00 C ATOM 1136 CD GLU A 71 14.103 9.780 -8.584 1.00 0.00 C ATOM 1137 OE1 GLU A 71 13.252 10.617 -8.955 1.00 0.00 O ATOM 1138 OE2 GLU A 71 14.084 8.595 -8.968 1.00 0.00 O ATOM 0 H GLU A 71 16.868 9.245 -4.857 1.00 0.00 H new ATOM 0 HA GLU A 71 15.909 11.928 -5.616 1.00 0.00 H new ATOM 0 HB2 GLU A 71 14.635 9.174 -5.851 1.00 0.00 H new ATOM 0 HB3 GLU A 71 13.746 10.662 -6.113 1.00 0.00 H new ATOM 0 HG2 GLU A 71 15.517 11.237 -7.891 1.00 0.00 H new ATOM 0 HG3 GLU A 71 16.065 9.579 -7.739 1.00 0.00 H new ATOM 1145 N PHE A 72 14.935 10.064 -3.068 1.00 0.00 N ATOM 1146 CA PHE A 72 14.100 10.043 -1.866 1.00 0.00 C ATOM 1147 C PHE A 72 14.913 10.163 -0.575 1.00 0.00 C ATOM 1148 O PHE A 72 14.346 10.403 0.490 1.00 0.00 O ATOM 1149 CB PHE A 72 13.280 8.745 -1.824 1.00 0.00 C ATOM 1150 CG PHE A 72 12.498 8.472 -3.086 1.00 0.00 C ATOM 1151 CD1 PHE A 72 11.306 9.135 -3.342 1.00 0.00 C ATOM 1152 CD2 PHE A 72 12.960 7.555 -4.020 1.00 0.00 C ATOM 1153 CE1 PHE A 72 10.595 8.887 -4.502 1.00 0.00 C ATOM 1154 CE2 PHE A 72 12.252 7.305 -5.179 1.00 0.00 C ATOM 1155 CZ PHE A 72 11.068 7.972 -5.420 1.00 0.00 C ATOM 0 H PHE A 72 15.463 9.206 -3.230 1.00 0.00 H new ATOM 0 HA PHE A 72 13.444 10.912 -1.923 1.00 0.00 H new ATOM 0 HB2 PHE A 72 13.953 7.908 -1.638 1.00 0.00 H new ATOM 0 HB3 PHE A 72 12.588 8.791 -0.983 1.00 0.00 H new ATOM 0 HD1 PHE A 72 10.930 9.852 -2.628 1.00 0.00 H new ATOM 0 HD2 PHE A 72 13.886 7.030 -3.838 1.00 0.00 H new ATOM 0 HE1 PHE A 72 9.669 9.410 -4.689 1.00 0.00 H new ATOM 0 HE2 PHE A 72 12.624 6.588 -5.896 1.00 0.00 H new ATOM 0 HZ PHE A 72 10.513 7.778 -6.326 1.00 0.00 H new ATOM 1165 N LEU A 73 16.230 9.999 -0.654 1.00 0.00 N ATOM 1166 CA LEU A 73 17.040 9.863 0.562 1.00 0.00 C ATOM 1167 C LEU A 73 18.245 10.813 0.583 1.00 0.00 C ATOM 1168 O LEU A 73 19.013 10.823 1.549 1.00 0.00 O ATOM 1169 CB LEU A 73 17.500 8.404 0.685 1.00 0.00 C ATOM 1170 CG LEU A 73 16.361 7.365 0.633 1.00 0.00 C ATOM 1171 CD1 LEU A 73 16.906 5.962 0.370 1.00 0.00 C ATOM 1172 CD2 LEU A 73 15.553 7.392 1.925 1.00 0.00 C ATOM 0 H LEU A 73 16.755 9.957 -1.527 1.00 0.00 H new ATOM 0 HA LEU A 73 16.421 10.140 1.415 1.00 0.00 H new ATOM 0 HB2 LEU A 73 18.206 8.190 -0.118 1.00 0.00 H new ATOM 0 HB3 LEU A 73 18.040 8.285 1.624 1.00 0.00 H new ATOM 0 HG LEU A 73 15.702 7.630 -0.194 1.00 0.00 H new ATOM 0 HD11 LEU A 73 16.080 5.251 0.339 1.00 0.00 H new ATOM 0 HD12 LEU A 73 17.432 5.949 -0.584 1.00 0.00 H new ATOM 0 HD13 LEU A 73 17.595 5.684 1.168 1.00 0.00 H new ATOM 0 HD21 LEU A 73 14.754 6.653 1.870 1.00 0.00 H new ATOM 0 HD22 LEU A 73 16.205 7.160 2.767 1.00 0.00 H new ATOM 0 HD23 LEU A 73 15.121 8.383 2.063 1.00 0.00 H new ATOM 1184 N SER A 74 18.403 11.618 -0.463 1.00 0.00 N ATOM 1185 CA SER A 74 19.518 12.564 -0.542 1.00 0.00 C ATOM 1186 C SER A 74 19.169 13.896 0.131 1.00 0.00 C ATOM 1187 O SER A 74 17.996 14.260 0.238 1.00 0.00 O ATOM 1188 CB SER A 74 19.912 12.801 -2.004 1.00 0.00 C ATOM 1189 OG SER A 74 20.343 11.600 -2.611 1.00 0.00 O ATOM 0 H SER A 74 17.776 11.637 -1.268 1.00 0.00 H new ATOM 0 HA SER A 74 20.363 12.128 -0.010 1.00 0.00 H new ATOM 0 HB2 SER A 74 19.062 13.206 -2.553 1.00 0.00 H new ATOM 0 HB3 SER A 74 20.707 13.545 -2.055 1.00 0.00 H new ATOM 0 HG SER A 74 19.633 10.928 -2.547 1.00 0.00 H new ATOM 1195 N SER A 75 20.199 14.605 0.585 1.00 0.00 N ATOM 1196 CA SER A 75 20.037 15.920 1.196 1.00 0.00 C ATOM 1197 C SER A 75 19.419 16.901 0.195 1.00 0.00 C ATOM 1198 O SER A 75 19.910 17.033 -0.929 1.00 0.00 O ATOM 1199 CB SER A 75 21.402 16.438 1.665 1.00 0.00 C ATOM 1200 OG SER A 75 22.048 15.489 2.501 1.00 0.00 O ATOM 0 H SER A 75 21.166 14.285 0.540 1.00 0.00 H new ATOM 0 HA SER A 75 19.369 15.834 2.053 1.00 0.00 H new ATOM 0 HB2 SER A 75 22.030 16.653 0.800 1.00 0.00 H new ATOM 0 HB3 SER A 75 21.273 17.376 2.206 1.00 0.00 H new ATOM 0 HG SER A 75 22.917 15.842 2.786 1.00 0.00 H new ATOM 1206 N GLN A 76 18.340 17.569 0.608 1.00 0.00 N ATOM 1207 CA GLN A 76 17.643 18.541 -0.241 1.00 0.00 C ATOM 1208 C GLN A 76 17.254 17.924 -1.589 1.00 0.00 C ATOM 1209 O GLN A 76 17.252 18.603 -2.621 1.00 0.00 O ATOM 1210 CB GLN A 76 18.514 19.793 -0.451 1.00 0.00 C ATOM 1211 CG GLN A 76 18.787 20.569 0.833 1.00 0.00 C ATOM 1212 CD GLN A 76 19.651 21.805 0.616 1.00 0.00 C ATOM 1213 OE1 GLN A 76 19.502 22.810 1.316 1.00 0.00 O ATOM 1214 NE2 GLN A 76 20.573 21.737 -0.336 1.00 0.00 N ATOM 0 H GLN A 76 17.926 17.454 1.533 1.00 0.00 H new ATOM 0 HA GLN A 76 16.725 18.835 0.269 1.00 0.00 H new ATOM 0 HB2 GLN A 76 19.464 19.494 -0.894 1.00 0.00 H new ATOM 0 HB3 GLN A 76 18.022 20.452 -1.166 1.00 0.00 H new ATOM 0 HG2 GLN A 76 17.838 20.871 1.276 1.00 0.00 H new ATOM 0 HG3 GLN A 76 19.279 19.911 1.550 1.00 0.00 H new ATOM 0 HE21 GLN A 76 20.667 20.889 -0.895 1.00 0.00 H new ATOM 0 HE22 GLN A 76 21.188 22.533 -0.509 1.00 0.00 H new ATOM 1223 N ALA A 77 16.922 16.633 -1.568 1.00 0.00 N ATOM 1224 CA ALA A 77 16.505 15.919 -2.774 1.00 0.00 C ATOM 1225 C ALA A 77 15.184 16.469 -3.309 1.00 0.00 C ATOM 1226 O ALA A 77 14.451 17.156 -2.594 1.00 0.00 O ATOM 1227 CB ALA A 77 16.387 14.427 -2.487 1.00 0.00 C ATOM 0 H ALA A 77 16.934 16.059 -0.725 1.00 0.00 H new ATOM 0 HA ALA A 77 17.265 16.070 -3.541 1.00 0.00 H new ATOM 0 HB1 ALA A 77 16.076 13.906 -3.392 1.00 0.00 H new ATOM 0 HB2 ALA A 77 17.353 14.042 -2.160 1.00 0.00 H new ATOM 0 HB3 ALA A 77 15.648 14.265 -1.703 1.00 0.00 H new ATOM 1233 N LEU A 78 14.884 16.153 -4.567 1.00 0.00 N ATOM 1234 CA LEU A 78 13.678 16.653 -5.233 1.00 0.00 C ATOM 1235 C LEU A 78 12.416 16.139 -4.539 1.00 0.00 C ATOM 1236 O LEU A 78 11.413 16.850 -4.442 1.00 0.00 O ATOM 1237 CB LEU A 78 13.659 16.246 -6.718 1.00 0.00 C ATOM 1238 CG LEU A 78 14.725 16.908 -7.616 1.00 0.00 C ATOM 1239 CD1 LEU A 78 16.134 16.441 -7.254 1.00 0.00 C ATOM 1240 CD2 LEU A 78 14.426 16.632 -9.089 1.00 0.00 C ATOM 0 H LEU A 78 15.462 15.549 -5.151 1.00 0.00 H new ATOM 0 HA LEU A 78 13.695 17.741 -5.168 1.00 0.00 H new ATOM 0 HB2 LEU A 78 13.782 15.165 -6.779 1.00 0.00 H new ATOM 0 HB3 LEU A 78 12.675 16.478 -7.125 1.00 0.00 H new ATOM 0 HG LEU A 78 14.683 17.984 -7.446 1.00 0.00 H new ATOM 0 HD11 LEU A 78 16.858 16.928 -7.907 1.00 0.00 H new ATOM 0 HD12 LEU A 78 16.348 16.701 -6.217 1.00 0.00 H new ATOM 0 HD13 LEU A 78 16.202 15.360 -7.379 1.00 0.00 H new ATOM 0 HD21 LEU A 78 15.187 17.106 -9.710 1.00 0.00 H new ATOM 0 HD22 LEU A 78 14.431 15.556 -9.266 1.00 0.00 H new ATOM 0 HD23 LEU A 78 13.447 17.037 -9.344 1.00 0.00 H new ATOM 1252 N SER A 79 12.475 14.905 -4.056 1.00 0.00 N ATOM 1253 CA SER A 79 11.345 14.287 -3.374 1.00 0.00 C ATOM 1254 C SER A 79 11.844 13.343 -2.277 1.00 0.00 C ATOM 1255 O SER A 79 11.793 12.120 -2.424 1.00 0.00 O ATOM 1256 CB SER A 79 10.475 13.540 -4.395 1.00 0.00 C ATOM 1257 OG SER A 79 11.252 12.615 -5.146 1.00 0.00 O ATOM 0 H SER A 79 13.300 14.308 -4.125 1.00 0.00 H new ATOM 0 HA SER A 79 10.738 15.059 -2.901 1.00 0.00 H new ATOM 0 HB2 SER A 79 9.674 13.012 -3.878 1.00 0.00 H new ATOM 0 HB3 SER A 79 10.003 14.255 -5.069 1.00 0.00 H new ATOM 0 HG SER A 79 11.758 12.041 -4.534 1.00 0.00 H new ATOM 1263 N PRO A 80 12.347 13.905 -1.160 1.00 0.00 N ATOM 1264 CA PRO A 80 12.971 13.128 -0.084 1.00 0.00 C ATOM 1265 C PRO A 80 11.948 12.523 0.884 1.00 0.00 C ATOM 1266 O PRO A 80 12.109 12.631 2.101 1.00 0.00 O ATOM 1267 CB PRO A 80 13.840 14.180 0.614 1.00 0.00 C ATOM 1268 CG PRO A 80 13.075 15.454 0.462 1.00 0.00 C ATOM 1269 CD PRO A 80 12.337 15.353 -0.853 1.00 0.00 C ATOM 0 HA PRO A 80 13.524 12.265 -0.455 1.00 0.00 H new ATOM 0 HB2 PRO A 80 13.996 13.933 1.664 1.00 0.00 H new ATOM 0 HB3 PRO A 80 14.825 14.251 0.153 1.00 0.00 H new ATOM 0 HG2 PRO A 80 12.378 15.590 1.289 1.00 0.00 H new ATOM 0 HG3 PRO A 80 13.746 16.313 0.466 1.00 0.00 H new ATOM 0 HD2 PRO A 80 11.320 15.736 -0.770 1.00 0.00 H new ATOM 0 HD3 PRO A 80 12.832 15.930 -1.634 1.00 0.00 H new ATOM 1277 N VAL A 81 10.934 11.848 0.317 1.00 0.00 N ATOM 1278 CA VAL A 81 9.808 11.264 1.075 1.00 0.00 C ATOM 1279 C VAL A 81 9.544 11.987 2.404 1.00 0.00 C ATOM 1280 O VAL A 81 8.822 12.989 2.436 1.00 0.00 O ATOM 1281 CB VAL A 81 9.977 9.727 1.304 1.00 0.00 C ATOM 1282 CG1 VAL A 81 9.403 8.940 0.128 1.00 0.00 C ATOM 1283 CG2 VAL A 81 11.446 9.347 1.513 1.00 0.00 C ATOM 0 H VAL A 81 10.870 11.690 -0.689 1.00 0.00 H new ATOM 0 HA VAL A 81 8.929 11.412 0.447 1.00 0.00 H new ATOM 0 HB VAL A 81 9.426 9.472 2.209 1.00 0.00 H new ATOM 0 HG11 VAL A 81 9.531 7.873 0.308 1.00 0.00 H new ATOM 0 HG12 VAL A 81 8.342 9.166 0.022 1.00 0.00 H new ATOM 0 HG13 VAL A 81 9.926 9.219 -0.787 1.00 0.00 H new ATOM 0 HG21 VAL A 81 11.525 8.271 1.669 1.00 0.00 H new ATOM 0 HG22 VAL A 81 12.024 9.629 0.633 1.00 0.00 H new ATOM 0 HG23 VAL A 81 11.836 9.870 2.386 1.00 0.00 H new ATOM 1293 N ASN A 82 10.148 11.485 3.482 1.00 0.00 N ATOM 1294 CA ASN A 82 10.084 12.110 4.801 1.00 0.00 C ATOM 1295 C ASN A 82 10.860 11.245 5.792 1.00 0.00 C ATOM 1296 O ASN A 82 12.019 11.526 6.086 1.00 0.00 O ATOM 1297 CB ASN A 82 8.631 12.301 5.274 1.00 0.00 C ATOM 1298 CG ASN A 82 8.527 13.124 6.550 1.00 0.00 C ATOM 1299 OD1 ASN A 82 7.679 12.860 7.402 1.00 0.00 O ATOM 1300 ND2 ASN A 82 9.367 14.144 6.683 1.00 0.00 N ATOM 0 H ASN A 82 10.699 10.627 3.463 1.00 0.00 H new ATOM 0 HA ASN A 82 10.531 13.102 4.740 1.00 0.00 H new ATOM 0 HB2 ASN A 82 8.059 12.789 4.485 1.00 0.00 H new ATOM 0 HB3 ASN A 82 8.177 11.324 5.440 1.00 0.00 H new ATOM 0 HD21 ASN A 82 9.322 14.737 7.511 1.00 0.00 H new ATOM 0 HD22 ASN A 82 10.058 14.334 5.957 1.00 0.00 H new ATOM 1307 N ILE A 83 10.212 10.164 6.253 1.00 0.00 N ATOM 1308 CA ILE A 83 10.809 9.153 7.149 1.00 0.00 C ATOM 1309 C ILE A 83 11.721 9.750 8.238 1.00 0.00 C ATOM 1310 O ILE A 83 11.626 10.931 8.572 1.00 0.00 O ATOM 1311 CB ILE A 83 11.564 8.046 6.352 1.00 0.00 C ATOM 1312 CG1 ILE A 83 12.725 8.626 5.524 1.00 0.00 C ATOM 1313 CG2 ILE A 83 10.591 7.286 5.452 1.00 0.00 C ATOM 1314 CD1 ILE A 83 13.444 7.595 4.683 1.00 0.00 C ATOM 0 H ILE A 83 9.242 9.962 6.011 1.00 0.00 H new ATOM 0 HA ILE A 83 9.964 8.698 7.666 1.00 0.00 H new ATOM 0 HB ILE A 83 11.995 7.354 7.075 1.00 0.00 H new ATOM 0 HG12 ILE A 83 12.339 9.409 4.872 1.00 0.00 H new ATOM 0 HG13 ILE A 83 13.441 9.096 6.198 1.00 0.00 H new ATOM 0 HG21 ILE A 83 11.131 6.516 4.901 1.00 0.00 H new ATOM 0 HG22 ILE A 83 9.818 6.820 6.063 1.00 0.00 H new ATOM 0 HG23 ILE A 83 10.129 7.979 4.749 1.00 0.00 H new ATOM 0 HD11 ILE A 83 14.249 8.076 4.127 1.00 0.00 H new ATOM 0 HD12 ILE A 83 13.861 6.823 5.331 1.00 0.00 H new ATOM 0 HD13 ILE A 83 12.741 7.141 3.984 1.00 0.00 H new ATOM 1326 N ASP A 84 12.571 8.898 8.814 1.00 0.00 N ATOM 1327 CA ASP A 84 13.427 9.267 9.945 1.00 0.00 C ATOM 1328 C ASP A 84 14.394 10.401 9.601 1.00 0.00 C ATOM 1329 O ASP A 84 14.523 11.360 10.361 1.00 0.00 O ATOM 1330 CB ASP A 84 14.225 8.041 10.410 1.00 0.00 C ATOM 1331 CG ASP A 84 13.332 6.863 10.764 1.00 0.00 C ATOM 1332 OD1 ASP A 84 12.935 6.118 9.837 1.00 0.00 O ATOM 1333 OD2 ASP A 84 13.021 6.682 11.962 1.00 0.00 O ATOM 0 H ASP A 84 12.686 7.931 8.510 1.00 0.00 H new ATOM 0 HA ASP A 84 12.774 9.622 10.742 1.00 0.00 H new ATOM 0 HB2 ASP A 84 14.918 7.743 9.623 1.00 0.00 H new ATOM 0 HB3 ASP A 84 14.826 8.311 11.279 1.00 0.00 H new ATOM 1338 N ARG A 85 15.074 10.272 8.459 1.00 0.00 N ATOM 1339 CA ARG A 85 16.120 11.219 8.047 1.00 0.00 C ATOM 1340 C ARG A 85 17.293 11.217 9.033 1.00 0.00 C ATOM 1341 O ARG A 85 18.338 10.631 8.756 1.00 0.00 O ATOM 1342 CB ARG A 85 15.565 12.646 7.883 1.00 0.00 C ATOM 1343 CG ARG A 85 14.791 12.876 6.588 1.00 0.00 C ATOM 1344 CD ARG A 85 15.653 12.592 5.360 1.00 0.00 C ATOM 1345 NE ARG A 85 16.952 13.272 5.427 1.00 0.00 N ATOM 1346 CZ ARG A 85 17.985 13.010 4.622 1.00 0.00 C ATOM 1347 NH1 ARG A 85 17.872 12.115 3.646 1.00 0.00 N ATOM 1348 NH2 ARG A 85 19.132 13.651 4.791 1.00 0.00 N ATOM 0 H ARG A 85 14.918 9.513 7.795 1.00 0.00 H new ATOM 0 HA ARG A 85 16.484 10.885 7.076 1.00 0.00 H new ATOM 0 HB2 ARG A 85 14.912 12.868 8.727 1.00 0.00 H new ATOM 0 HB3 ARG A 85 16.394 13.353 7.927 1.00 0.00 H new ATOM 0 HG2 ARG A 85 13.910 12.234 6.571 1.00 0.00 H new ATOM 0 HG3 ARG A 85 14.436 13.906 6.554 1.00 0.00 H new ATOM 0 HD2 ARG A 85 15.811 11.517 5.270 1.00 0.00 H new ATOM 0 HD3 ARG A 85 15.122 12.913 4.463 1.00 0.00 H new ATOM 0 HE ARG A 85 17.074 13.994 6.137 1.00 0.00 H new ATOM 0 HH11 ARG A 85 16.990 11.621 3.506 1.00 0.00 H new ATOM 0 HH12 ARG A 85 18.667 11.922 3.036 1.00 0.00 H new ATOM 0 HH21 ARG A 85 19.225 14.343 5.535 1.00 0.00 H new ATOM 0 HH22 ARG A 85 19.922 13.453 4.177 1.00 0.00 H new ATOM 1362 N GLN A 86 17.106 11.854 10.186 1.00 0.00 N ATOM 1363 CA GLN A 86 18.165 11.966 11.191 1.00 0.00 C ATOM 1364 C GLN A 86 18.559 10.583 11.707 1.00 0.00 C ATOM 1365 O GLN A 86 19.742 10.262 11.837 1.00 0.00 O ATOM 1366 CB GLN A 86 17.699 12.847 12.359 1.00 0.00 C ATOM 1367 CG GLN A 86 17.209 14.229 11.935 1.00 0.00 C ATOM 1368 CD GLN A 86 18.271 15.046 11.213 1.00 0.00 C ATOM 1369 OE1 GLN A 86 19.468 14.911 11.473 1.00 0.00 O ATOM 1370 NE2 GLN A 86 17.838 15.899 10.298 1.00 0.00 N ATOM 0 H GLN A 86 16.229 12.303 10.450 1.00 0.00 H new ATOM 0 HA GLN A 86 19.035 12.428 10.725 1.00 0.00 H new ATOM 0 HB2 GLN A 86 16.896 12.335 12.890 1.00 0.00 H new ATOM 0 HB3 GLN A 86 18.522 12.965 13.063 1.00 0.00 H new ATOM 0 HG2 GLN A 86 16.342 14.116 11.284 1.00 0.00 H new ATOM 0 HG3 GLN A 86 16.876 14.776 12.817 1.00 0.00 H new ATOM 0 HE21 GLN A 86 16.839 15.982 10.111 1.00 0.00 H new ATOM 0 HE22 GLN A 86 18.504 16.473 9.780 1.00 0.00 H new ATOM 1379 N ALA A 87 17.550 9.762 11.972 1.00 0.00 N ATOM 1380 CA ALA A 87 17.758 8.418 12.505 1.00 0.00 C ATOM 1381 C ALA A 87 17.891 7.389 11.382 1.00 0.00 C ATOM 1382 O ALA A 87 17.747 6.184 11.611 1.00 0.00 O ATOM 1383 CB ALA A 87 16.608 8.048 13.433 1.00 0.00 C ATOM 0 H ALA A 87 16.570 10.005 11.825 1.00 0.00 H new ATOM 0 HA ALA A 87 18.691 8.413 13.069 1.00 0.00 H new ATOM 0 HB1 ALA A 87 16.768 7.045 13.828 1.00 0.00 H new ATOM 0 HB2 ALA A 87 16.562 8.760 14.257 1.00 0.00 H new ATOM 0 HB3 ALA A 87 15.670 8.075 12.878 1.00 0.00 H new ATOM 1389 N TRP A 88 18.187 7.862 10.174 1.00 0.00 N ATOM 1390 CA TRP A 88 18.279 6.986 9.012 1.00 0.00 C ATOM 1391 C TRP A 88 19.596 6.200 9.030 1.00 0.00 C ATOM 1392 O TRP A 88 20.497 6.502 9.821 1.00 0.00 O ATOM 1393 CB TRP A 88 18.142 7.804 7.717 1.00 0.00 C ATOM 1394 CG TRP A 88 17.805 6.963 6.521 1.00 0.00 C ATOM 1395 CD1 TRP A 88 16.625 6.318 6.291 1.00 0.00 C ATOM 1396 CD2 TRP A 88 18.647 6.672 5.399 1.00 0.00 C ATOM 1397 NE1 TRP A 88 16.686 5.635 5.103 1.00 0.00 N ATOM 1398 CE2 TRP A 88 17.914 5.839 4.537 1.00 0.00 C ATOM 1399 CE3 TRP A 88 19.949 7.033 5.040 1.00 0.00 C ATOM 1400 CZ2 TRP A 88 18.438 5.359 3.344 1.00 0.00 C ATOM 1401 CZ3 TRP A 88 20.468 6.556 3.851 1.00 0.00 C ATOM 1402 CH2 TRP A 88 19.712 5.726 3.016 1.00 0.00 C ATOM 0 H TRP A 88 18.367 8.846 9.976 1.00 0.00 H new ATOM 0 HA TRP A 88 17.460 6.267 9.051 1.00 0.00 H new ATOM 0 HB2 TRP A 88 17.368 8.559 7.852 1.00 0.00 H new ATOM 0 HB3 TRP A 88 19.076 8.334 7.529 1.00 0.00 H new ATOM 0 HD1 TRP A 88 15.768 6.342 6.948 1.00 0.00 H new ATOM 0 HE1 TRP A 88 15.937 5.067 4.706 1.00 0.00 H new ATOM 0 HE3 TRP A 88 20.539 7.673 5.680 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 17.858 4.717 2.697 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 21.472 6.828 3.562 1.00 0.00 H new ATOM 0 HH2 TRP A 88 20.145 5.368 2.093 1.00 0.00 H new ATOM 1413 N LEU A 89 19.701 5.203 8.146 1.00 0.00 N ATOM 1414 CA LEU A 89 20.847 4.290 8.122 1.00 0.00 C ATOM 1415 C LEU A 89 22.146 5.051 7.867 1.00 0.00 C ATOM 1416 O LEU A 89 23.037 5.087 8.721 1.00 0.00 O ATOM 1417 CB LEU A 89 20.663 3.194 7.051 1.00 0.00 C ATOM 1418 CG LEU A 89 19.544 2.163 7.319 1.00 0.00 C ATOM 1419 CD1 LEU A 89 18.160 2.804 7.226 1.00 0.00 C ATOM 1420 CD2 LEU A 89 19.660 0.983 6.353 1.00 0.00 C ATOM 0 H LEU A 89 18.999 5.007 7.432 1.00 0.00 H new ATOM 0 HA LEU A 89 20.906 3.813 9.101 1.00 0.00 H new ATOM 0 HB2 LEU A 89 20.462 3.678 6.096 1.00 0.00 H new ATOM 0 HB3 LEU A 89 21.606 2.657 6.944 1.00 0.00 H new ATOM 0 HG LEU A 89 19.668 1.793 8.337 1.00 0.00 H new ATOM 0 HD11 LEU A 89 17.396 2.051 7.420 1.00 0.00 H new ATOM 0 HD12 LEU A 89 18.078 3.602 7.964 1.00 0.00 H new ATOM 0 HD13 LEU A 89 18.017 3.217 6.228 1.00 0.00 H new ATOM 0 HD21 LEU A 89 18.864 0.267 6.556 1.00 0.00 H new ATOM 0 HD22 LEU A 89 19.572 1.342 5.328 1.00 0.00 H new ATOM 0 HD23 LEU A 89 20.627 0.498 6.486 1.00 0.00 H new ATOM 1432 N GLY A 90 22.252 5.644 6.684 1.00 0.00 N ATOM 1433 CA GLY A 90 23.418 6.437 6.335 1.00 0.00 C ATOM 1434 C GLY A 90 24.026 6.019 5.013 1.00 0.00 C ATOM 1435 O GLY A 90 23.570 5.059 4.390 1.00 0.00 O ATOM 0 H GLY A 90 21.543 5.589 5.952 1.00 0.00 H new ATOM 0 HA2 GLY A 90 23.137 7.489 6.286 1.00 0.00 H new ATOM 0 HA3 GLY A 90 24.166 6.343 7.122 1.00 0.00 H new ATOM 1439 N GLU A 91 25.069 6.736 4.596 1.00 0.00 N ATOM 1440 CA GLU A 91 25.761 6.475 3.329 1.00 0.00 C ATOM 1441 C GLU A 91 26.275 5.035 3.240 1.00 0.00 C ATOM 1442 O GLU A 91 26.591 4.549 2.150 1.00 0.00 O ATOM 1443 CB GLU A 91 26.942 7.441 3.169 1.00 0.00 C ATOM 1444 CG GLU A 91 28.001 7.290 4.256 1.00 0.00 C ATOM 1445 CD GLU A 91 29.214 8.175 4.026 1.00 0.00 C ATOM 1446 OE1 GLU A 91 29.216 9.326 4.505 1.00 0.00 O ATOM 1447 OE2 GLU A 91 30.171 7.723 3.360 1.00 0.00 O ATOM 0 H GLU A 91 25.460 7.515 5.126 1.00 0.00 H new ATOM 0 HA GLU A 91 25.037 6.626 2.528 1.00 0.00 H new ATOM 0 HB2 GLU A 91 27.405 7.278 2.196 1.00 0.00 H new ATOM 0 HB3 GLU A 91 26.568 8.465 3.177 1.00 0.00 H new ATOM 0 HG2 GLU A 91 27.559 7.532 5.223 1.00 0.00 H new ATOM 0 HG3 GLU A 91 28.321 6.249 4.303 1.00 0.00 H new ATOM 1454 N GLU A 92 26.345 4.349 4.381 1.00 0.00 N ATOM 1455 CA GLU A 92 26.914 3.012 4.436 1.00 0.00 C ATOM 1456 C GLU A 92 26.115 2.062 3.560 1.00 0.00 C ATOM 1457 O GLU A 92 26.662 1.129 2.994 1.00 0.00 O ATOM 1458 CB GLU A 92 26.942 2.479 5.873 1.00 0.00 C ATOM 1459 CG GLU A 92 25.561 2.316 6.505 1.00 0.00 C ATOM 1460 CD GLU A 92 25.599 1.493 7.781 1.00 0.00 C ATOM 1461 OE1 GLU A 92 25.474 0.251 7.695 1.00 0.00 O ATOM 1462 OE2 GLU A 92 25.755 2.080 8.875 1.00 0.00 O ATOM 0 H GLU A 92 26.013 4.702 5.278 1.00 0.00 H new ATOM 0 HA GLU A 92 27.938 3.073 4.068 1.00 0.00 H new ATOM 0 HB2 GLU A 92 27.450 1.514 5.881 1.00 0.00 H new ATOM 0 HB3 GLU A 92 27.534 3.156 6.489 1.00 0.00 H new ATOM 0 HG2 GLU A 92 25.146 3.300 6.723 1.00 0.00 H new ATOM 0 HG3 GLU A 92 24.891 1.840 5.789 1.00 0.00 H new ATOM 1469 N VAL A 93 24.818 2.319 3.436 1.00 0.00 N ATOM 1470 CA VAL A 93 23.941 1.423 2.698 1.00 0.00 C ATOM 1471 C VAL A 93 24.215 1.503 1.190 1.00 0.00 C ATOM 1472 O VAL A 93 23.833 0.612 0.430 1.00 0.00 O ATOM 1473 CB VAL A 93 22.446 1.704 3.002 1.00 0.00 C ATOM 1474 CG1 VAL A 93 22.029 3.079 2.490 1.00 0.00 C ATOM 1475 CG2 VAL A 93 21.550 0.606 2.425 1.00 0.00 C ATOM 0 H VAL A 93 24.354 3.135 3.835 1.00 0.00 H new ATOM 0 HA VAL A 93 24.159 0.408 3.032 1.00 0.00 H new ATOM 0 HB VAL A 93 22.321 1.701 4.085 1.00 0.00 H new ATOM 0 HG11 VAL A 93 20.976 3.248 2.717 1.00 0.00 H new ATOM 0 HG12 VAL A 93 22.633 3.846 2.975 1.00 0.00 H new ATOM 0 HG13 VAL A 93 22.179 3.127 1.411 1.00 0.00 H new ATOM 0 HG21 VAL A 93 20.508 0.829 2.653 1.00 0.00 H new ATOM 0 HG22 VAL A 93 21.683 0.559 1.344 1.00 0.00 H new ATOM 0 HG23 VAL A 93 21.820 -0.353 2.866 1.00 0.00 H new ATOM 1485 N LEU A 94 24.891 2.573 0.768 1.00 0.00 N ATOM 1486 CA LEU A 94 25.313 2.720 -0.624 1.00 0.00 C ATOM 1487 C LEU A 94 26.689 2.086 -0.817 1.00 0.00 C ATOM 1488 O LEU A 94 26.946 1.413 -1.816 1.00 0.00 O ATOM 1489 CB LEU A 94 25.367 4.203 -1.045 1.00 0.00 C ATOM 1490 CG LEU A 94 24.032 4.974 -1.018 1.00 0.00 C ATOM 1491 CD1 LEU A 94 22.924 4.176 -1.700 1.00 0.00 C ATOM 1492 CD2 LEU A 94 23.639 5.355 0.407 1.00 0.00 C ATOM 0 H LEU A 94 25.158 3.351 1.372 1.00 0.00 H new ATOM 0 HA LEU A 94 24.579 2.214 -1.251 1.00 0.00 H new ATOM 0 HB2 LEU A 94 26.072 4.718 -0.392 1.00 0.00 H new ATOM 0 HB3 LEU A 94 25.772 4.256 -2.056 1.00 0.00 H new ATOM 0 HG LEU A 94 24.172 5.898 -1.579 1.00 0.00 H new ATOM 0 HD11 LEU A 94 21.994 4.743 -1.667 1.00 0.00 H new ATOM 0 HD12 LEU A 94 23.197 3.988 -2.738 1.00 0.00 H new ATOM 0 HD13 LEU A 94 22.789 3.226 -1.183 1.00 0.00 H new ATOM 0 HD21 LEU A 94 22.694 5.897 0.391 1.00 0.00 H new ATOM 0 HD22 LEU A 94 23.529 4.452 1.008 1.00 0.00 H new ATOM 0 HD23 LEU A 94 24.413 5.988 0.841 1.00 0.00 H new ATOM 1504 N ALA A 95 27.568 2.313 0.157 1.00 0.00 N ATOM 1505 CA ALA A 95 28.929 1.783 0.118 1.00 0.00 C ATOM 1506 C ALA A 95 28.930 0.264 0.295 1.00 0.00 C ATOM 1507 O ALA A 95 29.774 -0.439 -0.264 1.00 0.00 O ATOM 1508 CB ALA A 95 29.778 2.446 1.195 1.00 0.00 C ATOM 0 H ALA A 95 27.359 2.865 0.989 1.00 0.00 H new ATOM 0 HA ALA A 95 29.358 2.007 -0.858 1.00 0.00 H new ATOM 0 HB1 ALA A 95 30.791 2.045 1.158 1.00 0.00 H new ATOM 0 HB2 ALA A 95 29.808 3.522 1.024 1.00 0.00 H new ATOM 0 HB3 ALA A 95 29.344 2.246 2.175 1.00 0.00 H new ATOM 1514 N GLU A 96 27.980 -0.229 1.082 1.00 0.00 N ATOM 1515 CA GLU A 96 27.817 -1.659 1.321 1.00 0.00 C ATOM 1516 C GLU A 96 26.326 -2.015 1.343 1.00 0.00 C ATOM 1517 O GLU A 96 25.670 -1.971 2.393 1.00 0.00 O ATOM 1518 CB GLU A 96 28.511 -2.086 2.632 1.00 0.00 C ATOM 1519 CG GLU A 96 28.101 -1.272 3.859 1.00 0.00 C ATOM 1520 CD GLU A 96 28.765 -1.746 5.141 1.00 0.00 C ATOM 1521 OE1 GLU A 96 29.899 -1.307 5.425 1.00 0.00 O ATOM 1522 OE2 GLU A 96 28.154 -2.557 5.875 1.00 0.00 O ATOM 0 H GLU A 96 27.300 0.352 1.573 1.00 0.00 H new ATOM 0 HA GLU A 96 28.295 -2.206 0.508 1.00 0.00 H new ATOM 0 HB2 GLU A 96 28.292 -3.137 2.819 1.00 0.00 H new ATOM 0 HB3 GLU A 96 29.590 -2.004 2.501 1.00 0.00 H new ATOM 0 HG2 GLU A 96 28.353 -0.225 3.693 1.00 0.00 H new ATOM 0 HG3 GLU A 96 27.019 -1.325 3.977 1.00 0.00 H new ATOM 1529 N PRO A 97 25.755 -2.335 0.165 1.00 0.00 N ATOM 1530 CA PRO A 97 24.343 -2.703 0.051 1.00 0.00 C ATOM 1531 C PRO A 97 24.085 -4.084 0.646 1.00 0.00 C ATOM 1532 O PRO A 97 25.028 -4.801 0.995 1.00 0.00 O ATOM 1533 CB PRO A 97 24.091 -2.693 -1.456 1.00 0.00 C ATOM 1534 CG PRO A 97 25.420 -2.998 -2.061 1.00 0.00 C ATOM 1535 CD PRO A 97 26.444 -2.380 -1.143 1.00 0.00 C ATOM 0 HA PRO A 97 23.683 -2.026 0.593 1.00 0.00 H new ATOM 0 HB2 PRO A 97 23.346 -3.437 -1.738 1.00 0.00 H new ATOM 0 HB3 PRO A 97 23.716 -1.725 -1.789 1.00 0.00 H new ATOM 0 HG2 PRO A 97 25.572 -4.074 -2.148 1.00 0.00 H new ATOM 0 HG3 PRO A 97 25.496 -2.583 -3.066 1.00 0.00 H new ATOM 0 HD2 PRO A 97 27.354 -2.978 -1.097 1.00 0.00 H new ATOM 0 HD3 PRO A 97 26.734 -1.384 -1.478 1.00 0.00 H new ATOM 1543 N ARG A 98 22.817 -4.463 0.752 1.00 0.00 N ATOM 1544 CA ARG A 98 22.454 -5.685 1.457 1.00 0.00 C ATOM 1545 C ARG A 98 20.975 -6.011 1.265 1.00 0.00 C ATOM 1546 O ARG A 98 20.163 -5.108 1.050 1.00 0.00 O ATOM 1547 CB ARG A 98 22.766 -5.503 2.951 1.00 0.00 C ATOM 1548 CG ARG A 98 21.886 -4.452 3.638 1.00 0.00 C ATOM 1549 CD ARG A 98 22.481 -3.974 4.960 1.00 0.00 C ATOM 1550 NE ARG A 98 23.669 -3.136 4.761 1.00 0.00 N ATOM 1551 CZ ARG A 98 24.145 -2.283 5.672 1.00 0.00 C ATOM 1552 NH1 ARG A 98 23.566 -2.188 6.863 1.00 0.00 N ATOM 1553 NH2 ARG A 98 25.206 -1.535 5.395 1.00 0.00 N ATOM 0 H ARG A 98 22.029 -3.946 0.362 1.00 0.00 H new ATOM 0 HA ARG A 98 23.031 -6.516 1.052 1.00 0.00 H new ATOM 0 HB2 ARG A 98 22.640 -6.459 3.459 1.00 0.00 H new ATOM 0 HB3 ARG A 98 23.812 -5.218 3.063 1.00 0.00 H new ATOM 0 HG2 ARG A 98 21.755 -3.599 2.972 1.00 0.00 H new ATOM 0 HG3 ARG A 98 20.896 -4.871 3.818 1.00 0.00 H new ATOM 0 HD2 ARG A 98 21.729 -3.410 5.512 1.00 0.00 H new ATOM 0 HD3 ARG A 98 22.745 -4.837 5.571 1.00 0.00 H new ATOM 0 HE ARG A 98 24.162 -3.209 3.871 1.00 0.00 H new ATOM 0 HH11 ARG A 98 22.756 -2.767 7.084 1.00 0.00 H new ATOM 0 HH12 ARG A 98 23.931 -1.536 7.557 1.00 0.00 H new ATOM 0 HH21 ARG A 98 25.660 -1.611 4.485 1.00 0.00 H new ATOM 0 HH22 ARG A 98 25.567 -0.884 6.092 1.00 0.00 H new ATOM 1567 N PRO A 99 20.611 -7.307 1.344 1.00 0.00 N ATOM 1568 CA PRO A 99 19.210 -7.749 1.258 1.00 0.00 C ATOM 1569 C PRO A 99 18.416 -7.342 2.500 1.00 0.00 C ATOM 1570 O PRO A 99 17.189 -7.416 2.523 1.00 0.00 O ATOM 1571 CB PRO A 99 19.326 -9.274 1.158 1.00 0.00 C ATOM 1572 CG PRO A 99 20.613 -9.595 1.838 1.00 0.00 C ATOM 1573 CD PRO A 99 21.536 -8.451 1.516 1.00 0.00 C ATOM 0 HA PRO A 99 18.679 -7.302 0.417 1.00 0.00 H new ATOM 0 HB2 PRO A 99 18.486 -9.769 1.645 1.00 0.00 H new ATOM 0 HB3 PRO A 99 19.332 -9.604 0.119 1.00 0.00 H new ATOM 0 HG2 PRO A 99 20.473 -9.695 2.914 1.00 0.00 H new ATOM 0 HG3 PRO A 99 21.021 -10.540 1.480 1.00 0.00 H new ATOM 0 HD2 PRO A 99 22.252 -8.273 2.319 1.00 0.00 H new ATOM 0 HD3 PRO A 99 22.113 -8.642 0.611 1.00 0.00 H new ATOM 1581 N ASP A 100 19.142 -6.926 3.536 1.00 0.00 N ATOM 1582 CA ASP A 100 18.536 -6.391 4.758 1.00 0.00 C ATOM 1583 C ASP A 100 17.792 -5.094 4.427 1.00 0.00 C ATOM 1584 O ASP A 100 16.746 -4.790 5.003 1.00 0.00 O ATOM 1585 CB ASP A 100 19.630 -6.156 5.809 1.00 0.00 C ATOM 1586 CG ASP A 100 19.143 -5.411 7.039 1.00 0.00 C ATOM 1587 OD1 ASP A 100 18.462 -6.027 7.886 1.00 0.00 O ATOM 1588 OD2 ASP A 100 19.465 -4.212 7.171 1.00 0.00 O ATOM 0 H ASP A 100 20.162 -6.949 3.554 1.00 0.00 H new ATOM 0 HA ASP A 100 17.819 -7.102 5.167 1.00 0.00 H new ATOM 0 HB2 ASP A 100 20.039 -7.118 6.116 1.00 0.00 H new ATOM 0 HB3 ASP A 100 20.445 -5.594 5.353 1.00 0.00 H new ATOM 1593 N MET A 101 18.365 -4.356 3.470 1.00 0.00 N ATOM 1594 CA MET A 101 17.739 -3.193 2.821 1.00 0.00 C ATOM 1595 C MET A 101 17.093 -2.196 3.799 1.00 0.00 C ATOM 1596 O MET A 101 17.327 -2.225 5.011 1.00 0.00 O ATOM 1597 CB MET A 101 16.714 -3.661 1.763 1.00 0.00 C ATOM 1598 CG MET A 101 15.437 -4.275 2.331 1.00 0.00 C ATOM 1599 SD MET A 101 14.302 -4.836 1.047 1.00 0.00 S ATOM 1600 CE MET A 101 15.241 -6.177 0.313 1.00 0.00 C ATOM 0 H MET A 101 19.300 -4.554 3.115 1.00 0.00 H new ATOM 0 HA MET A 101 18.548 -2.645 2.338 1.00 0.00 H new ATOM 0 HB2 MET A 101 16.444 -2.809 1.139 1.00 0.00 H new ATOM 0 HB3 MET A 101 17.193 -4.393 1.113 1.00 0.00 H new ATOM 0 HG2 MET A 101 15.698 -5.117 2.972 1.00 0.00 H new ATOM 0 HG3 MET A 101 14.934 -3.540 2.959 1.00 0.00 H new ATOM 0 HE1 MET A 101 14.732 -6.529 -0.584 1.00 0.00 H new ATOM 0 HE2 MET A 101 16.237 -5.822 0.049 1.00 0.00 H new ATOM 0 HE3 MET A 101 15.325 -6.996 1.027 1.00 0.00 H new ATOM 1610 N PHE A 102 16.288 -1.294 3.234 1.00 0.00 N ATOM 1611 CA PHE A 102 15.623 -0.225 3.984 1.00 0.00 C ATOM 1612 C PHE A 102 14.313 -0.723 4.611 1.00 0.00 C ATOM 1613 O PHE A 102 13.363 0.051 4.744 1.00 0.00 O ATOM 1614 CB PHE A 102 15.301 0.948 3.033 1.00 0.00 C ATOM 1615 CG PHE A 102 16.421 1.319 2.091 1.00 0.00 C ATOM 1616 CD1 PHE A 102 17.508 2.054 2.536 1.00 0.00 C ATOM 1617 CD2 PHE A 102 16.380 0.937 0.754 1.00 0.00 C ATOM 1618 CE1 PHE A 102 18.529 2.399 1.670 1.00 0.00 C ATOM 1619 CE2 PHE A 102 17.401 1.280 -0.112 1.00 0.00 C ATOM 1620 CZ PHE A 102 18.476 2.012 0.346 1.00 0.00 C ATOM 0 H PHE A 102 16.077 -1.284 2.236 1.00 0.00 H new ATOM 0 HA PHE A 102 16.295 0.100 4.779 1.00 0.00 H new ATOM 0 HB2 PHE A 102 14.420 0.691 2.445 1.00 0.00 H new ATOM 0 HB3 PHE A 102 15.042 1.822 3.630 1.00 0.00 H new ATOM 0 HD1 PHE A 102 17.558 2.361 3.570 1.00 0.00 H new ATOM 0 HD2 PHE A 102 15.540 0.365 0.388 1.00 0.00 H new ATOM 0 HE1 PHE A 102 19.370 2.973 2.030 1.00 0.00 H new ATOM 0 HE2 PHE A 102 17.357 0.975 -1.147 1.00 0.00 H new ATOM 0 HZ PHE A 102 19.274 2.282 -0.329 1.00 0.00 H new ATOM 1630 N ARG A 103 14.278 -1.999 5.019 1.00 0.00 N ATOM 1631 CA ARG A 103 13.030 -2.655 5.453 1.00 0.00 C ATOM 1632 C ARG A 103 12.204 -1.771 6.401 1.00 0.00 C ATOM 1633 O ARG A 103 10.979 -1.680 6.273 1.00 0.00 O ATOM 1634 CB ARG A 103 13.318 -4.023 6.113 1.00 0.00 C ATOM 1635 CG ARG A 103 13.929 -3.951 7.515 1.00 0.00 C ATOM 1636 CD ARG A 103 15.351 -3.398 7.511 1.00 0.00 C ATOM 1637 NE ARG A 103 15.848 -3.162 8.868 1.00 0.00 N ATOM 1638 CZ ARG A 103 17.046 -2.649 9.147 1.00 0.00 C ATOM 1639 NH1 ARG A 103 17.882 -2.327 8.166 1.00 0.00 N ATOM 1640 NH2 ARG A 103 17.413 -2.468 10.411 1.00 0.00 N ATOM 0 H ARG A 103 15.100 -2.601 5.059 1.00 0.00 H new ATOM 0 HA ARG A 103 12.436 -2.817 4.553 1.00 0.00 H new ATOM 0 HB2 ARG A 103 12.386 -4.586 6.168 1.00 0.00 H new ATOM 0 HB3 ARG A 103 13.993 -4.586 5.468 1.00 0.00 H new ATOM 0 HG2 ARG A 103 13.302 -3.324 8.148 1.00 0.00 H new ATOM 0 HG3 ARG A 103 13.932 -4.947 7.957 1.00 0.00 H new ATOM 0 HD2 ARG A 103 16.011 -4.098 6.999 1.00 0.00 H new ATOM 0 HD3 ARG A 103 15.376 -2.465 6.948 1.00 0.00 H new ATOM 0 HE ARG A 103 15.239 -3.406 9.649 1.00 0.00 H new ATOM 0 HH11 ARG A 103 17.608 -2.472 7.194 1.00 0.00 H new ATOM 0 HH12 ARG A 103 18.798 -1.935 8.385 1.00 0.00 H new ATOM 0 HH21 ARG A 103 16.778 -2.722 11.168 1.00 0.00 H new ATOM 0 HH22 ARG A 103 18.330 -2.075 10.625 1.00 0.00 H new ATOM 1654 N ALA A 104 12.883 -1.098 7.326 1.00 0.00 N ATOM 1655 CA ALA A 104 12.214 -0.252 8.308 1.00 0.00 C ATOM 1656 C ALA A 104 11.522 0.926 7.628 1.00 0.00 C ATOM 1657 O ALA A 104 10.348 1.204 7.879 1.00 0.00 O ATOM 1658 CB ALA A 104 13.216 0.240 9.347 1.00 0.00 C ATOM 0 H ALA A 104 13.899 -1.123 7.415 1.00 0.00 H new ATOM 0 HA ALA A 104 11.451 -0.845 8.812 1.00 0.00 H new ATOM 0 HB1 ALA A 104 12.705 0.871 10.075 1.00 0.00 H new ATOM 0 HB2 ALA A 104 13.661 -0.615 9.856 1.00 0.00 H new ATOM 0 HB3 ALA A 104 13.999 0.816 8.853 1.00 0.00 H new ATOM 1664 N GLN A 105 12.253 1.602 6.746 1.00 0.00 N ATOM 1665 CA GLN A 105 11.742 2.786 6.063 1.00 0.00 C ATOM 1666 C GLN A 105 10.702 2.413 5.009 1.00 0.00 C ATOM 1667 O GLN A 105 9.853 3.233 4.653 1.00 0.00 O ATOM 1668 CB GLN A 105 12.890 3.596 5.442 1.00 0.00 C ATOM 1669 CG GLN A 105 13.714 4.370 6.472 1.00 0.00 C ATOM 1670 CD GLN A 105 14.433 3.473 7.468 1.00 0.00 C ATOM 1671 OE1 GLN A 105 14.853 2.364 7.135 1.00 0.00 O ATOM 1672 NE2 GLN A 105 14.556 3.936 8.704 1.00 0.00 N ATOM 0 H GLN A 105 13.206 1.348 6.487 1.00 0.00 H new ATOM 0 HA GLN A 105 11.248 3.412 6.806 1.00 0.00 H new ATOM 0 HB2 GLN A 105 13.548 2.920 4.895 1.00 0.00 H new ATOM 0 HB3 GLN A 105 12.479 4.297 4.716 1.00 0.00 H new ATOM 0 HG2 GLN A 105 14.449 4.984 5.951 1.00 0.00 H new ATOM 0 HG3 GLN A 105 13.057 5.050 7.015 1.00 0.00 H new ATOM 0 HE21 GLN A 105 14.195 4.860 8.941 1.00 0.00 H new ATOM 0 HE22 GLN A 105 15.012 3.368 9.418 1.00 0.00 H new ATOM 1681 N GLN A 106 10.759 1.173 4.526 1.00 0.00 N ATOM 1682 CA GLN A 106 9.744 0.666 3.607 1.00 0.00 C ATOM 1683 C GLN A 106 8.375 0.711 4.277 1.00 0.00 C ATOM 1684 O GLN A 106 7.439 1.342 3.777 1.00 0.00 O ATOM 1685 CB GLN A 106 10.065 -0.771 3.173 1.00 0.00 C ATOM 1686 CG GLN A 106 11.280 -0.892 2.263 1.00 0.00 C ATOM 1687 CD GLN A 106 11.549 -2.328 1.848 1.00 0.00 C ATOM 1688 OE1 GLN A 106 12.313 -3.040 2.493 1.00 0.00 O ATOM 1689 NE2 GLN A 106 10.900 -2.771 0.782 1.00 0.00 N ATOM 0 H GLN A 106 11.494 0.504 4.755 1.00 0.00 H new ATOM 0 HA GLN A 106 9.737 1.298 2.719 1.00 0.00 H new ATOM 0 HB2 GLN A 106 10.229 -1.379 4.063 1.00 0.00 H new ATOM 0 HB3 GLN A 106 9.198 -1.186 2.659 1.00 0.00 H new ATOM 0 HG2 GLN A 106 11.127 -0.282 1.373 1.00 0.00 H new ATOM 0 HG3 GLN A 106 12.156 -0.494 2.775 1.00 0.00 H new ATOM 0 HE21 GLN A 106 10.273 -2.149 0.272 1.00 0.00 H new ATOM 0 HE22 GLN A 106 11.027 -3.734 0.471 1.00 0.00 H new ATOM 1698 N LEU A 107 8.273 0.054 5.431 1.00 0.00 N ATOM 1699 CA LEU A 107 7.018 0.010 6.174 1.00 0.00 C ATOM 1700 C LEU A 107 6.757 1.338 6.882 1.00 0.00 C ATOM 1701 O LEU A 107 5.618 1.646 7.225 1.00 0.00 O ATOM 1702 CB LEU A 107 7.006 -1.161 7.175 1.00 0.00 C ATOM 1703 CG LEU A 107 6.840 -2.564 6.553 1.00 0.00 C ATOM 1704 CD1 LEU A 107 5.583 -2.631 5.688 1.00 0.00 C ATOM 1705 CD2 LEU A 107 8.076 -2.965 5.749 1.00 0.00 C ATOM 0 H LEU A 107 9.042 -0.453 5.869 1.00 0.00 H new ATOM 0 HA LEU A 107 6.212 -0.155 5.459 1.00 0.00 H new ATOM 0 HB2 LEU A 107 7.937 -1.142 7.742 1.00 0.00 H new ATOM 0 HB3 LEU A 107 6.196 -1.000 7.887 1.00 0.00 H new ATOM 0 HG LEU A 107 6.729 -3.278 7.370 1.00 0.00 H new ATOM 0 HD11 LEU A 107 5.488 -3.629 5.261 1.00 0.00 H new ATOM 0 HD12 LEU A 107 4.708 -2.414 6.300 1.00 0.00 H new ATOM 0 HD13 LEU A 107 5.655 -1.898 4.885 1.00 0.00 H new ATOM 0 HD21 LEU A 107 7.927 -3.958 5.324 1.00 0.00 H new ATOM 0 HD22 LEU A 107 8.236 -2.246 4.945 1.00 0.00 H new ATOM 0 HD23 LEU A 107 8.948 -2.977 6.403 1.00 0.00 H new ATOM 1717 N GLN A 108 7.812 2.123 7.093 1.00 0.00 N ATOM 1718 CA GLN A 108 7.671 3.476 7.640 1.00 0.00 C ATOM 1719 C GLN A 108 6.732 4.284 6.745 1.00 0.00 C ATOM 1720 O GLN A 108 5.774 4.903 7.213 1.00 0.00 O ATOM 1721 CB GLN A 108 9.043 4.164 7.717 1.00 0.00 C ATOM 1722 CG GLN A 108 9.035 5.530 8.402 1.00 0.00 C ATOM 1723 CD GLN A 108 8.954 5.433 9.916 1.00 0.00 C ATOM 1724 OE1 GLN A 108 7.870 5.412 10.497 1.00 0.00 O ATOM 1725 NE2 GLN A 108 10.107 5.393 10.567 1.00 0.00 N ATOM 0 H GLN A 108 8.774 1.848 6.894 1.00 0.00 H new ATOM 0 HA GLN A 108 7.256 3.417 8.646 1.00 0.00 H new ATOM 0 HB2 GLN A 108 9.733 3.510 8.250 1.00 0.00 H new ATOM 0 HB3 GLN A 108 9.432 4.282 6.706 1.00 0.00 H new ATOM 0 HG2 GLN A 108 9.938 6.074 8.126 1.00 0.00 H new ATOM 0 HG3 GLN A 108 8.188 6.110 8.035 1.00 0.00 H new ATOM 0 HE21 GLN A 108 10.986 5.412 10.050 1.00 0.00 H new ATOM 0 HE22 GLN A 108 10.116 5.343 11.586 1.00 0.00 H new ATOM 1734 N ILE A 109 7.012 4.242 5.443 1.00 0.00 N ATOM 1735 CA ILE A 109 6.191 4.919 4.445 1.00 0.00 C ATOM 1736 C ILE A 109 4.792 4.301 4.382 1.00 0.00 C ATOM 1737 O ILE A 109 3.787 5.017 4.322 1.00 0.00 O ATOM 1738 CB ILE A 109 6.860 4.865 3.044 1.00 0.00 C ATOM 1739 CG1 ILE A 109 8.108 5.768 3.002 1.00 0.00 C ATOM 1740 CG2 ILE A 109 5.873 5.258 1.945 1.00 0.00 C ATOM 1741 CD1 ILE A 109 7.819 7.234 3.259 1.00 0.00 C ATOM 0 H ILE A 109 7.810 3.740 5.054 1.00 0.00 H new ATOM 0 HA ILE A 109 6.099 5.963 4.745 1.00 0.00 H new ATOM 0 HB ILE A 109 7.172 3.837 2.862 1.00 0.00 H new ATOM 0 HG12 ILE A 109 8.824 5.414 3.743 1.00 0.00 H new ATOM 0 HG13 ILE A 109 8.583 5.668 2.026 1.00 0.00 H new ATOM 0 HG21 ILE A 109 6.370 5.211 0.976 1.00 0.00 H new ATOM 0 HG22 ILE A 109 5.027 4.571 1.953 1.00 0.00 H new ATOM 0 HG23 ILE A 109 5.517 6.273 2.121 1.00 0.00 H new ATOM 0 HD11 ILE A 109 8.748 7.802 3.212 1.00 0.00 H new ATOM 0 HD12 ILE A 109 7.128 7.607 2.503 1.00 0.00 H new ATOM 0 HD13 ILE A 109 7.373 7.349 4.247 1.00 0.00 H new ATOM 1753 N PHE A 110 4.733 2.968 4.407 1.00 0.00 N ATOM 1754 CA PHE A 110 3.459 2.254 4.347 1.00 0.00 C ATOM 1755 C PHE A 110 2.537 2.702 5.485 1.00 0.00 C ATOM 1756 O PHE A 110 1.395 3.102 5.250 1.00 0.00 O ATOM 1757 CB PHE A 110 3.680 0.730 4.405 1.00 0.00 C ATOM 1758 CG PHE A 110 2.404 -0.075 4.275 1.00 0.00 C ATOM 1759 CD1 PHE A 110 1.639 -0.392 5.393 1.00 0.00 C ATOM 1760 CD2 PHE A 110 1.964 -0.499 3.031 1.00 0.00 C ATOM 1761 CE1 PHE A 110 0.467 -1.116 5.266 1.00 0.00 C ATOM 1762 CE2 PHE A 110 0.792 -1.219 2.900 1.00 0.00 C ATOM 1763 CZ PHE A 110 0.043 -1.527 4.017 1.00 0.00 C ATOM 0 H PHE A 110 5.552 2.363 4.468 1.00 0.00 H new ATOM 0 HA PHE A 110 2.982 2.494 3.397 1.00 0.00 H new ATOM 0 HB2 PHE A 110 4.365 0.440 3.608 1.00 0.00 H new ATOM 0 HB3 PHE A 110 4.164 0.478 5.348 1.00 0.00 H new ATOM 0 HD1 PHE A 110 1.964 -0.069 6.371 1.00 0.00 H new ATOM 0 HD2 PHE A 110 2.545 -0.263 2.152 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -0.116 -1.360 6.142 1.00 0.00 H new ATOM 0 HE2 PHE A 110 0.462 -1.541 1.923 1.00 0.00 H new ATOM 0 HZ PHE A 110 -0.874 -2.089 3.915 1.00 0.00 H new ATOM 1773 N ASN A 111 3.048 2.657 6.713 1.00 0.00 N ATOM 1774 CA ASN A 111 2.256 3.018 7.890 1.00 0.00 C ATOM 1775 C ASN A 111 1.958 4.514 7.910 1.00 0.00 C ATOM 1776 O ASN A 111 0.928 4.942 8.438 1.00 0.00 O ATOM 1777 CB ASN A 111 2.956 2.597 9.193 1.00 0.00 C ATOM 1778 CG ASN A 111 2.914 1.092 9.421 1.00 0.00 C ATOM 1779 OD1 ASN A 111 1.940 0.561 9.955 1.00 0.00 O ATOM 1780 ND2 ASN A 111 3.975 0.396 9.045 1.00 0.00 N ATOM 0 H ASN A 111 4.006 2.375 6.921 1.00 0.00 H new ATOM 0 HA ASN A 111 1.313 2.476 7.824 1.00 0.00 H new ATOM 0 HB2 ASN A 111 3.994 2.928 9.166 1.00 0.00 H new ATOM 0 HB3 ASN A 111 2.482 3.102 10.035 1.00 0.00 H new ATOM 0 HD21 ASN A 111 4.003 -0.613 9.195 1.00 0.00 H new ATOM 0 HD22 ASN A 111 4.765 0.868 8.605 1.00 0.00 H new ATOM 1787 N LEU A 112 2.853 5.304 7.320 1.00 0.00 N ATOM 1788 CA LEU A 112 2.673 6.751 7.248 1.00 0.00 C ATOM 1789 C LEU A 112 1.370 7.091 6.522 1.00 0.00 C ATOM 1790 O LEU A 112 0.513 7.789 7.063 1.00 0.00 O ATOM 1791 CB LEU A 112 3.869 7.408 6.540 1.00 0.00 C ATOM 1792 CG LEU A 112 3.837 8.946 6.476 1.00 0.00 C ATOM 1793 CD1 LEU A 112 3.828 9.551 7.880 1.00 0.00 C ATOM 1794 CD2 LEU A 112 5.021 9.476 5.669 1.00 0.00 C ATOM 0 H LEU A 112 3.711 4.965 6.885 1.00 0.00 H new ATOM 0 HA LEU A 112 2.616 7.143 8.264 1.00 0.00 H new ATOM 0 HB2 LEU A 112 4.783 7.102 7.048 1.00 0.00 H new ATOM 0 HB3 LEU A 112 3.925 7.020 5.523 1.00 0.00 H new ATOM 0 HG LEU A 112 2.917 9.244 5.973 1.00 0.00 H new ATOM 0 HD11 LEU A 112 3.805 10.638 7.807 1.00 0.00 H new ATOM 0 HD12 LEU A 112 2.947 9.205 8.420 1.00 0.00 H new ATOM 0 HD13 LEU A 112 4.726 9.242 8.415 1.00 0.00 H new ATOM 0 HD21 LEU A 112 4.980 10.565 5.636 1.00 0.00 H new ATOM 0 HD22 LEU A 112 5.952 9.162 6.140 1.00 0.00 H new ATOM 0 HD23 LEU A 112 4.976 9.080 4.654 1.00 0.00 H new ATOM 1806 N MET A 113 1.215 6.576 5.301 1.00 0.00 N ATOM 1807 CA MET A 113 -0.003 6.817 4.522 1.00 0.00 C ATOM 1808 C MET A 113 -1.172 6.046 5.129 1.00 0.00 C ATOM 1809 O MET A 113 -2.310 6.517 5.115 1.00 0.00 O ATOM 1810 CB MET A 113 0.180 6.400 3.056 1.00 0.00 C ATOM 1811 CG MET A 113 1.393 7.015 2.354 1.00 0.00 C ATOM 1812 SD MET A 113 1.164 8.750 1.890 1.00 0.00 S ATOM 1813 CE MET A 113 1.409 9.609 3.445 1.00 0.00 C ATOM 0 H MET A 113 1.910 5.995 4.833 1.00 0.00 H new ATOM 0 HA MET A 113 -0.212 7.886 4.551 1.00 0.00 H new ATOM 0 HB2 MET A 113 0.265 5.314 3.011 1.00 0.00 H new ATOM 0 HB3 MET A 113 -0.718 6.673 2.502 1.00 0.00 H new ATOM 0 HG2 MET A 113 2.260 6.935 3.010 1.00 0.00 H new ATOM 0 HG3 MET A 113 1.616 6.435 1.458 1.00 0.00 H new ATOM 0 HE1 MET A 113 0.450 9.971 3.816 1.00 0.00 H new ATOM 0 HE2 MET A 113 1.845 8.926 4.173 1.00 0.00 H new ATOM 0 HE3 MET A 113 2.081 10.454 3.292 1.00 0.00 H new ATOM 1823 N LYS A 114 -0.867 4.864 5.667 1.00 0.00 N ATOM 1824 CA LYS A 114 -1.861 3.994 6.304 1.00 0.00 C ATOM 1825 C LYS A 114 -2.731 4.780 7.289 1.00 0.00 C ATOM 1826 O LYS A 114 -3.953 4.647 7.299 1.00 0.00 O ATOM 1827 CB LYS A 114 -1.143 2.855 7.045 1.00 0.00 C ATOM 1828 CG LYS A 114 -2.064 1.879 7.777 1.00 0.00 C ATOM 1829 CD LYS A 114 -1.264 0.956 8.697 1.00 0.00 C ATOM 1830 CE LYS A 114 -2.156 -0.014 9.465 1.00 0.00 C ATOM 1831 NZ LYS A 114 -2.736 -1.057 8.583 1.00 0.00 N ATOM 0 H LYS A 114 0.078 4.481 5.674 1.00 0.00 H new ATOM 0 HA LYS A 114 -2.508 3.584 5.529 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -0.543 2.296 6.327 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -0.452 3.290 7.767 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -2.797 2.434 8.362 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -2.619 1.284 7.052 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -0.544 0.392 8.104 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -0.693 1.558 9.404 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -1.576 -0.490 10.256 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -2.961 0.540 9.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -3.335 -1.694 9.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -3.311 -0.606 7.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -1.969 -1.603 8.141 1.00 0.00 H new ATOM 1845 N PHE A 115 -2.089 5.614 8.101 1.00 0.00 N ATOM 1846 CA PHE A 115 -2.782 6.358 9.154 1.00 0.00 C ATOM 1847 C PHE A 115 -2.957 7.831 8.757 1.00 0.00 C ATOM 1848 O PHE A 115 -3.241 8.689 9.599 1.00 0.00 O ATOM 1849 CB PHE A 115 -1.993 6.233 10.471 1.00 0.00 C ATOM 1850 CG PHE A 115 -2.752 6.687 11.697 1.00 0.00 C ATOM 1851 CD1 PHE A 115 -3.824 5.946 12.177 1.00 0.00 C ATOM 1852 CD2 PHE A 115 -2.396 7.850 12.368 1.00 0.00 C ATOM 1853 CE1 PHE A 115 -4.522 6.355 13.296 1.00 0.00 C ATOM 1854 CE2 PHE A 115 -3.093 8.262 13.489 1.00 0.00 C ATOM 1855 CZ PHE A 115 -4.157 7.513 13.953 1.00 0.00 C ATOM 0 H PHE A 115 -1.086 5.794 8.052 1.00 0.00 H new ATOM 0 HA PHE A 115 -3.777 5.936 9.294 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -1.697 5.193 10.606 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -1.076 6.817 10.389 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -4.115 5.039 11.669 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -1.565 8.439 12.010 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -5.354 5.769 13.657 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -2.806 9.168 14.001 1.00 0.00 H new ATOM 0 HZ PHE A 115 -4.703 7.833 14.828 1.00 0.00 H new ATOM 1865 N ASP A 116 -2.817 8.124 7.467 1.00 0.00 N ATOM 1866 CA ASP A 116 -2.909 9.502 6.988 1.00 0.00 C ATOM 1867 C ASP A 116 -3.674 9.582 5.668 1.00 0.00 C ATOM 1868 O ASP A 116 -4.902 9.694 5.666 1.00 0.00 O ATOM 1869 CB ASP A 116 -1.510 10.115 6.845 1.00 0.00 C ATOM 1870 CG ASP A 116 -1.552 11.587 6.466 1.00 0.00 C ATOM 1871 OD1 ASP A 116 -1.869 12.418 7.345 1.00 0.00 O ATOM 1872 OD2 ASP A 116 -1.278 11.920 5.293 1.00 0.00 O ATOM 0 H ASP A 116 -2.641 7.432 6.739 1.00 0.00 H new ATOM 0 HA ASP A 116 -3.466 10.078 7.727 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -0.970 10.001 7.785 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -0.952 9.564 6.088 1.00 0.00 H new ATOM 1877 N SER A 117 -2.956 9.486 4.548 1.00 0.00 N ATOM 1878 CA SER A 117 -3.561 9.648 3.230 1.00 0.00 C ATOM 1879 C SER A 117 -4.617 8.567 2.988 1.00 0.00 C ATOM 1880 O SER A 117 -5.706 8.857 2.493 1.00 0.00 O ATOM 1881 CB SER A 117 -2.479 9.626 2.138 1.00 0.00 C ATOM 1882 OG SER A 117 -3.019 9.944 0.866 1.00 0.00 O ATOM 0 H SER A 117 -1.954 9.297 4.530 1.00 0.00 H new ATOM 0 HA SER A 117 -4.060 10.616 3.189 1.00 0.00 H new ATOM 0 HB2 SER A 117 -1.693 10.338 2.389 1.00 0.00 H new ATOM 0 HB3 SER A 117 -2.017 8.640 2.102 1.00 0.00 H new ATOM 0 HG SER A 117 -3.188 9.118 0.367 1.00 0.00 H new ATOM 1888 N TYR A 118 -4.301 7.322 3.358 1.00 0.00 N ATOM 1889 CA TYR A 118 -5.269 6.222 3.273 1.00 0.00 C ATOM 1890 C TYR A 118 -6.542 6.551 4.055 1.00 0.00 C ATOM 1891 O TYR A 118 -7.652 6.481 3.516 1.00 0.00 O ATOM 1892 CB TYR A 118 -4.654 4.920 3.804 1.00 0.00 C ATOM 1893 CG TYR A 118 -5.652 3.784 3.972 1.00 0.00 C ATOM 1894 CD1 TYR A 118 -6.334 3.263 2.878 1.00 0.00 C ATOM 1895 CD2 TYR A 118 -5.907 3.232 5.224 1.00 0.00 C ATOM 1896 CE1 TYR A 118 -7.237 2.229 3.026 1.00 0.00 C ATOM 1897 CE2 TYR A 118 -6.809 2.198 5.379 1.00 0.00 C ATOM 1898 CZ TYR A 118 -7.472 1.702 4.278 1.00 0.00 C ATOM 1899 OH TYR A 118 -8.370 0.675 4.429 1.00 0.00 O ATOM 0 H TYR A 118 -3.386 7.050 3.718 1.00 0.00 H new ATOM 0 HA TYR A 118 -5.531 6.089 2.223 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -3.866 4.599 3.123 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -4.182 5.120 4.766 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -6.154 3.674 1.896 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -5.390 3.619 6.090 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -7.757 1.835 2.165 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -6.994 1.781 6.358 1.00 0.00 H new ATOM 0 HH TYR A 118 -8.459 0.191 3.581 1.00 0.00 H new ATOM 1909 N ALA A 119 -6.369 6.919 5.324 1.00 0.00 N ATOM 1910 CA ALA A 119 -7.498 7.231 6.203 1.00 0.00 C ATOM 1911 C ALA A 119 -8.338 8.368 5.625 1.00 0.00 C ATOM 1912 O ALA A 119 -9.557 8.414 5.802 1.00 0.00 O ATOM 1913 CB ALA A 119 -7.000 7.589 7.600 1.00 0.00 C ATOM 0 H ALA A 119 -5.455 7.009 5.768 1.00 0.00 H new ATOM 0 HA ALA A 119 -8.130 6.346 6.276 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -7.851 7.818 8.242 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -6.448 6.746 8.017 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -6.345 8.458 7.541 1.00 0.00 H new ATOM 1919 N ARG A 120 -7.667 9.273 4.926 1.00 0.00 N ATOM 1920 CA ARG A 120 -8.311 10.418 4.290 1.00 0.00 C ATOM 1921 C ARG A 120 -9.089 9.975 3.052 1.00 0.00 C ATOM 1922 O ARG A 120 -10.242 10.369 2.852 1.00 0.00 O ATOM 1923 CB ARG A 120 -7.236 11.441 3.903 1.00 0.00 C ATOM 1924 CG ARG A 120 -7.770 12.777 3.393 1.00 0.00 C ATOM 1925 CD ARG A 120 -6.622 13.707 3.016 1.00 0.00 C ATOM 1926 NE ARG A 120 -5.613 13.767 4.078 1.00 0.00 N ATOM 1927 CZ ARG A 120 -4.315 13.497 3.901 1.00 0.00 C ATOM 1928 NH1 ARG A 120 -3.844 13.225 2.690 1.00 0.00 N ATOM 1929 NH2 ARG A 120 -3.493 13.505 4.940 1.00 0.00 N ATOM 0 H ARG A 120 -6.658 9.235 4.783 1.00 0.00 H new ATOM 0 HA ARG A 120 -9.015 10.871 4.988 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -6.604 11.627 4.771 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -6.600 11.004 3.133 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -8.410 12.612 2.527 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -8.387 13.245 4.160 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -6.160 13.361 2.092 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -7.010 14.707 2.823 1.00 0.00 H new ATOM 0 HE ARG A 120 -5.921 14.032 5.013 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -4.473 13.221 1.887 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -2.853 13.020 2.562 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -3.851 13.717 5.872 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -2.503 13.299 4.808 1.00 0.00 H new ATOM 1943 N PHE A 121 -8.453 9.134 2.241 1.00 0.00 N ATOM 1944 CA PHE A 121 -9.018 8.683 0.970 1.00 0.00 C ATOM 1945 C PHE A 121 -10.344 7.955 1.183 1.00 0.00 C ATOM 1946 O PHE A 121 -11.332 8.232 0.502 1.00 0.00 O ATOM 1947 CB PHE A 121 -8.021 7.767 0.246 1.00 0.00 C ATOM 1948 CG PHE A 121 -8.509 7.276 -1.096 1.00 0.00 C ATOM 1949 CD1 PHE A 121 -8.520 8.122 -2.195 1.00 0.00 C ATOM 1950 CD2 PHE A 121 -8.958 5.971 -1.259 1.00 0.00 C ATOM 1951 CE1 PHE A 121 -8.967 7.680 -3.425 1.00 0.00 C ATOM 1952 CE2 PHE A 121 -9.405 5.525 -2.489 1.00 0.00 C ATOM 1953 CZ PHE A 121 -9.410 6.381 -3.573 1.00 0.00 C ATOM 0 H PHE A 121 -7.532 8.746 2.445 1.00 0.00 H new ATOM 0 HA PHE A 121 -9.211 9.561 0.353 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -7.083 8.304 0.107 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -7.805 6.907 0.880 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -8.175 9.140 -2.088 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -8.958 5.297 -0.415 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -8.970 8.351 -4.271 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -9.750 4.508 -2.602 1.00 0.00 H new ATOM 0 HZ PHE A 121 -9.760 6.035 -4.534 1.00 0.00 H new ATOM 1963 N VAL A 122 -10.368 7.045 2.151 1.00 0.00 N ATOM 1964 CA VAL A 122 -11.562 6.243 2.423 1.00 0.00 C ATOM 1965 C VAL A 122 -12.689 7.093 3.021 1.00 0.00 C ATOM 1966 O VAL A 122 -13.791 6.595 3.271 1.00 0.00 O ATOM 1967 CB VAL A 122 -11.251 5.055 3.369 1.00 0.00 C ATOM 1968 CG1 VAL A 122 -10.256 4.096 2.718 1.00 0.00 C ATOM 1969 CG2 VAL A 122 -10.728 5.553 4.717 1.00 0.00 C ATOM 0 H VAL A 122 -9.576 6.842 2.761 1.00 0.00 H new ATOM 0 HA VAL A 122 -11.893 5.847 1.463 1.00 0.00 H new ATOM 0 HB VAL A 122 -12.178 4.512 3.550 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -10.050 3.269 3.397 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -10.678 3.708 1.791 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -9.329 4.626 2.501 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -10.517 4.701 5.363 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -9.814 6.127 4.563 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -11.480 6.187 5.187 1.00 0.00 H new ATOM 1979 N LYS A 123 -12.410 8.369 3.273 1.00 0.00 N ATOM 1980 CA LYS A 123 -13.429 9.306 3.741 1.00 0.00 C ATOM 1981 C LYS A 123 -13.772 10.316 2.646 1.00 0.00 C ATOM 1982 O LYS A 123 -14.834 10.945 2.680 1.00 0.00 O ATOM 1983 CB LYS A 123 -12.955 10.039 5.005 1.00 0.00 C ATOM 1984 CG LYS A 123 -12.705 9.116 6.197 1.00 0.00 C ATOM 1985 CD LYS A 123 -12.373 9.891 7.473 1.00 0.00 C ATOM 1986 CE LYS A 123 -11.125 10.755 7.317 1.00 0.00 C ATOM 1987 NZ LYS A 123 -10.790 11.472 8.575 1.00 0.00 N ATOM 0 H LYS A 123 -11.483 8.780 3.161 1.00 0.00 H new ATOM 0 HA LYS A 123 -14.325 8.736 3.986 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -12.036 10.579 4.777 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -13.702 10.783 5.284 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -13.588 8.500 6.368 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -11.884 8.438 5.963 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -13.219 10.524 7.742 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -12.226 9.189 8.294 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -10.284 10.128 7.021 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -11.281 11.478 6.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -9.937 12.048 8.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -11.583 12.089 8.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -10.616 10.781 9.333 1.00 0.00 H new ATOM 2001 N SER A 124 -12.872 10.446 1.670 1.00 0.00 N ATOM 2002 CA SER A 124 -13.030 11.404 0.579 1.00 0.00 C ATOM 2003 C SER A 124 -14.301 11.122 -0.232 1.00 0.00 C ATOM 2004 O SER A 124 -14.727 9.967 -0.353 1.00 0.00 O ATOM 2005 CB SER A 124 -11.797 11.354 -0.333 1.00 0.00 C ATOM 2006 OG SER A 124 -10.613 11.636 0.395 1.00 0.00 O ATOM 0 H SER A 124 -12.017 9.892 1.615 1.00 0.00 H new ATOM 0 HA SER A 124 -13.125 12.401 1.009 1.00 0.00 H new ATOM 0 HB2 SER A 124 -11.720 10.368 -0.792 1.00 0.00 H new ATOM 0 HB3 SER A 124 -11.910 12.075 -1.143 1.00 0.00 H new ATOM 0 HG SER A 124 -10.561 11.046 1.176 1.00 0.00 H new ATOM 2012 N PRO A 125 -14.925 12.179 -0.800 1.00 0.00 N ATOM 2013 CA PRO A 125 -16.158 12.050 -1.589 1.00 0.00 C ATOM 2014 C PRO A 125 -16.008 11.048 -2.738 1.00 0.00 C ATOM 2015 O PRO A 125 -16.912 10.258 -3.006 1.00 0.00 O ATOM 2016 CB PRO A 125 -16.409 13.476 -2.124 1.00 0.00 C ATOM 2017 CG PRO A 125 -15.121 14.206 -1.924 1.00 0.00 C ATOM 2018 CD PRO A 125 -14.485 13.584 -0.711 1.00 0.00 C ATOM 0 HA PRO A 125 -16.985 11.668 -0.991 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -16.691 13.457 -3.177 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -17.223 13.960 -1.585 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -14.476 14.109 -2.797 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -15.294 15.271 -1.772 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -13.399 13.671 -0.734 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -14.823 14.057 0.211 1.00 0.00 H new ATOM 2026 N LEU A 126 -14.847 11.067 -3.389 1.00 0.00 N ATOM 2027 CA LEU A 126 -14.574 10.178 -4.519 1.00 0.00 C ATOM 2028 C LEU A 126 -14.887 8.726 -4.148 1.00 0.00 C ATOM 2029 O LEU A 126 -15.468 7.984 -4.941 1.00 0.00 O ATOM 2030 CB LEU A 126 -13.105 10.335 -4.965 1.00 0.00 C ATOM 2031 CG LEU A 126 -12.692 9.596 -6.261 1.00 0.00 C ATOM 2032 CD1 LEU A 126 -11.495 10.286 -6.915 1.00 0.00 C ATOM 2033 CD2 LEU A 126 -12.356 8.130 -5.984 1.00 0.00 C ATOM 0 H LEU A 126 -14.076 11.691 -3.153 1.00 0.00 H new ATOM 0 HA LEU A 126 -15.219 10.453 -5.353 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -12.901 11.397 -5.099 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -12.464 9.987 -4.155 1.00 0.00 H new ATOM 0 HG LEU A 126 -13.542 9.630 -6.943 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -11.219 9.752 -7.824 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -11.759 11.314 -7.164 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -10.652 10.285 -6.224 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -12.070 7.640 -6.915 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -11.530 8.074 -5.276 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -13.229 7.630 -5.564 1.00 0.00 H new ATOM 2045 N TYR A 127 -14.526 8.336 -2.929 1.00 0.00 N ATOM 2046 CA TYR A 127 -14.748 6.972 -2.461 1.00 0.00 C ATOM 2047 C TYR A 127 -16.244 6.690 -2.295 1.00 0.00 C ATOM 2048 O TYR A 127 -16.777 5.756 -2.893 1.00 0.00 O ATOM 2049 CB TYR A 127 -14.009 6.738 -1.133 1.00 0.00 C ATOM 2050 CG TYR A 127 -14.191 5.341 -0.558 1.00 0.00 C ATOM 2051 CD1 TYR A 127 -13.560 4.241 -1.133 1.00 0.00 C ATOM 2052 CD2 TYR A 127 -14.991 5.124 0.560 1.00 0.00 C ATOM 2053 CE1 TYR A 127 -13.724 2.969 -0.611 1.00 0.00 C ATOM 2054 CE2 TYR A 127 -15.157 3.857 1.086 1.00 0.00 C ATOM 2055 CZ TYR A 127 -14.522 2.784 0.498 1.00 0.00 C ATOM 2056 OH TYR A 127 -14.687 1.521 1.021 1.00 0.00 O ATOM 0 H TYR A 127 -14.078 8.947 -2.246 1.00 0.00 H new ATOM 0 HA TYR A 127 -14.353 6.285 -3.209 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -12.945 6.921 -1.285 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -14.357 7.468 -0.402 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -12.932 4.382 -2.000 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -15.491 5.961 1.025 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -13.229 2.126 -1.070 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -15.782 3.708 1.954 1.00 0.00 H new ATOM 0 HH TYR A 127 -15.278 1.565 1.801 1.00 0.00 H new ATOM 2066 N ARG A 128 -16.919 7.520 -1.503 1.00 0.00 N ATOM 2067 CA ARG A 128 -18.333 7.305 -1.183 1.00 0.00 C ATOM 2068 C ARG A 128 -19.205 7.345 -2.441 1.00 0.00 C ATOM 2069 O ARG A 128 -20.247 6.692 -2.495 1.00 0.00 O ATOM 2070 CB ARG A 128 -18.815 8.345 -0.159 1.00 0.00 C ATOM 2071 CG ARG A 128 -18.812 9.781 -0.674 1.00 0.00 C ATOM 2072 CD ARG A 128 -19.143 10.781 0.430 1.00 0.00 C ATOM 2073 NE ARG A 128 -18.144 10.763 1.507 1.00 0.00 N ATOM 2074 CZ ARG A 128 -18.419 10.473 2.783 1.00 0.00 C ATOM 2075 NH1 ARG A 128 -19.668 10.227 3.160 1.00 0.00 N ATOM 2076 NH2 ARG A 128 -17.440 10.449 3.680 1.00 0.00 N ATOM 0 H ARG A 128 -16.512 8.349 -1.070 1.00 0.00 H new ATOM 0 HA ARG A 128 -18.429 6.311 -0.746 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -19.826 8.086 0.156 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -18.181 8.287 0.726 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -17.834 10.014 -1.094 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -19.537 9.879 -1.482 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -19.201 11.783 0.006 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -20.126 10.553 0.843 1.00 0.00 H new ATOM 0 HE ARG A 128 -17.178 10.986 1.266 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -20.423 10.259 2.475 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -19.872 10.006 4.135 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -16.482 10.651 3.395 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -17.646 10.228 4.654 1.00 0.00 H new ATOM 2090 N GLU A 129 -18.772 8.107 -3.443 1.00 0.00 N ATOM 2091 CA GLU A 129 -19.471 8.165 -4.727 1.00 0.00 C ATOM 2092 C GLU A 129 -19.305 6.859 -5.500 1.00 0.00 C ATOM 2093 O GLU A 129 -20.251 6.379 -6.127 1.00 0.00 O ATOM 2094 CB GLU A 129 -18.973 9.357 -5.564 1.00 0.00 C ATOM 2095 CG GLU A 129 -19.824 10.617 -5.420 1.00 0.00 C ATOM 2096 CD GLU A 129 -20.014 11.060 -3.975 1.00 0.00 C ATOM 2097 OE1 GLU A 129 -20.989 10.611 -3.333 1.00 0.00 O ATOM 2098 OE2 GLU A 129 -19.199 11.869 -3.487 1.00 0.00 O ATOM 0 H GLU A 129 -17.939 8.694 -3.391 1.00 0.00 H new ATOM 0 HA GLU A 129 -20.533 8.306 -4.526 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -17.948 9.588 -5.274 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -18.949 9.065 -6.614 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -19.358 11.427 -5.982 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -20.801 10.439 -5.869 1.00 0.00 H new ATOM 2105 N CYS A 130 -18.101 6.286 -5.451 1.00 0.00 N ATOM 2106 CA CYS A 130 -17.832 5.006 -6.108 1.00 0.00 C ATOM 2107 C CYS A 130 -18.663 3.892 -5.467 1.00 0.00 C ATOM 2108 O CYS A 130 -18.931 2.864 -6.088 1.00 0.00 O ATOM 2109 CB CYS A 130 -16.337 4.670 -6.038 1.00 0.00 C ATOM 2110 SG CYS A 130 -15.277 5.833 -6.931 1.00 0.00 S ATOM 0 H CYS A 130 -17.299 6.687 -4.965 1.00 0.00 H new ATOM 0 HA CYS A 130 -18.117 5.089 -7.157 1.00 0.00 H new ATOM 0 HB2 CYS A 130 -16.030 4.644 -4.993 1.00 0.00 H new ATOM 0 HB3 CYS A 130 -16.181 3.669 -6.441 1.00 0.00 H new ATOM 0 HG CYS A 130 -15.408 7.021 -6.419 1.00 0.00 H new ATOM 2116 N LEU A 131 -19.060 4.110 -4.214 1.00 0.00 N ATOM 2117 CA LEU A 131 -19.946 3.186 -3.512 1.00 0.00 C ATOM 2118 C LEU A 131 -21.407 3.500 -3.841 1.00 0.00 C ATOM 2119 O LEU A 131 -22.072 2.734 -4.544 1.00 0.00 O ATOM 2120 CB LEU A 131 -19.702 3.248 -1.991 1.00 0.00 C ATOM 2121 CG LEU A 131 -18.531 2.392 -1.474 1.00 0.00 C ATOM 2122 CD1 LEU A 131 -17.197 2.905 -2.001 1.00 0.00 C ATOM 2123 CD2 LEU A 131 -18.530 2.348 0.051 1.00 0.00 C ATOM 0 H LEU A 131 -18.780 4.922 -3.664 1.00 0.00 H new ATOM 0 HA LEU A 131 -19.727 2.172 -3.848 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -19.522 4.286 -1.711 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -20.613 2.933 -1.481 1.00 0.00 H new ATOM 0 HG LEU A 131 -18.667 1.377 -1.847 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -16.390 2.280 -1.618 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -17.198 2.869 -3.090 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -17.047 3.933 -1.672 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -17.695 1.738 0.397 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -18.428 3.360 0.444 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -19.466 1.915 0.403 1.00 0.00 H new ATOM 2135 N LEU A 132 -21.895 4.636 -3.340 1.00 0.00 N ATOM 2136 CA LEU A 132 -23.267 5.075 -3.601 1.00 0.00 C ATOM 2137 C LEU A 132 -23.478 6.515 -3.125 1.00 0.00 C ATOM 2138 O LEU A 132 -24.008 7.349 -3.860 1.00 0.00 O ATOM 2139 CB LEU A 132 -24.307 4.135 -2.941 1.00 0.00 C ATOM 2140 CG LEU A 132 -24.384 4.147 -1.397 1.00 0.00 C ATOM 2141 CD1 LEU A 132 -25.592 3.348 -0.914 1.00 0.00 C ATOM 2142 CD2 LEU A 132 -23.103 3.596 -0.771 1.00 0.00 C ATOM 0 H LEU A 132 -21.358 5.271 -2.749 1.00 0.00 H new ATOM 0 HA LEU A 132 -23.418 5.035 -4.680 1.00 0.00 H new ATOM 0 HB2 LEU A 132 -25.292 4.392 -3.331 1.00 0.00 H new ATOM 0 HB3 LEU A 132 -24.093 3.115 -3.262 1.00 0.00 H new ATOM 0 HG LEU A 132 -24.496 5.184 -1.080 1.00 0.00 H new ATOM 0 HD11 LEU A 132 -25.629 3.368 0.175 1.00 0.00 H new ATOM 0 HD12 LEU A 132 -26.504 3.788 -1.317 1.00 0.00 H new ATOM 0 HD13 LEU A 132 -25.506 2.316 -1.255 1.00 0.00 H new ATOM 0 HD21 LEU A 132 -23.190 3.618 0.315 1.00 0.00 H new ATOM 0 HD22 LEU A 132 -22.949 2.569 -1.102 1.00 0.00 H new ATOM 0 HD23 LEU A 132 -22.255 4.207 -1.080 1.00 0.00 H new ATOM 2154 N ALA A 133 -23.029 6.805 -1.903 1.00 0.00 N ATOM 2155 CA ALA A 133 -23.249 8.113 -1.280 1.00 0.00 C ATOM 2156 C ALA A 133 -22.512 8.218 0.054 1.00 0.00 C ATOM 2157 O ALA A 133 -22.118 9.309 0.468 1.00 0.00 O ATOM 2158 CB ALA A 133 -24.741 8.370 -1.074 1.00 0.00 C ATOM 0 H ALA A 133 -22.508 6.148 -1.322 1.00 0.00 H new ATOM 0 HA ALA A 133 -22.851 8.871 -1.954 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -24.881 9.346 -0.610 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -25.250 8.349 -2.038 1.00 0.00 H new ATOM 0 HB3 ALA A 133 -25.157 7.598 -0.427 1.00 0.00 H new ATOM 2164 N GLU A 134 -22.324 7.083 0.723 1.00 0.00 N ATOM 2165 CA GLU A 134 -21.653 7.040 2.004 1.00 0.00 C ATOM 2166 C GLU A 134 -20.668 5.879 2.003 1.00 0.00 C ATOM 2167 O GLU A 134 -20.900 4.855 1.361 1.00 0.00 O ATOM 2168 CB GLU A 134 -22.677 6.898 3.146 1.00 0.00 C ATOM 2169 CG GLU A 134 -22.060 6.893 4.543 1.00 0.00 C ATOM 2170 CD GLU A 134 -21.185 8.109 4.806 1.00 0.00 C ATOM 2171 OE1 GLU A 134 -21.727 9.212 5.013 1.00 0.00 O ATOM 2172 OE2 GLU A 134 -19.944 7.971 4.798 1.00 0.00 O ATOM 0 H GLU A 134 -22.635 6.172 0.386 1.00 0.00 H new ATOM 0 HA GLU A 134 -21.110 7.971 2.167 1.00 0.00 H new ATOM 0 HB2 GLU A 134 -23.393 7.717 3.080 1.00 0.00 H new ATOM 0 HB3 GLU A 134 -23.236 5.973 3.005 1.00 0.00 H new ATOM 0 HG2 GLU A 134 -22.856 6.856 5.287 1.00 0.00 H new ATOM 0 HG3 GLU A 134 -21.465 5.989 4.669 1.00 0.00 H new ATOM 2179 N ALA A 135 -19.566 6.074 2.698 1.00 0.00 N ATOM 2180 CA ALA A 135 -18.485 5.093 2.763 1.00 0.00 C ATOM 2181 C ALA A 135 -18.907 3.840 3.528 1.00 0.00 C ATOM 2182 O ALA A 135 -18.670 2.721 3.070 1.00 0.00 O ATOM 2183 CB ALA A 135 -17.253 5.719 3.400 1.00 0.00 C ATOM 0 H ALA A 135 -19.387 6.920 3.239 1.00 0.00 H new ATOM 0 HA ALA A 135 -18.245 4.788 1.745 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -16.452 4.981 3.445 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -16.928 6.572 2.803 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -17.495 6.053 4.409 1.00 0.00 H new ATOM 2189 N GLU A 136 -19.525 4.039 4.696 1.00 0.00 N ATOM 2190 CA GLU A 136 -20.012 2.928 5.522 1.00 0.00 C ATOM 2191 C GLU A 136 -18.867 1.988 5.929 1.00 0.00 C ATOM 2192 O GLU A 136 -17.688 2.316 5.756 1.00 0.00 O ATOM 2193 CB GLU A 136 -21.104 2.154 4.762 1.00 0.00 C ATOM 2194 CG GLU A 136 -22.357 2.978 4.469 1.00 0.00 C ATOM 2195 CD GLU A 136 -23.215 3.211 5.703 1.00 0.00 C ATOM 2196 OE1 GLU A 136 -22.929 4.153 6.473 1.00 0.00 O ATOM 2197 OE2 GLU A 136 -24.190 2.454 5.905 1.00 0.00 O ATOM 0 H GLU A 136 -19.701 4.962 5.093 1.00 0.00 H new ATOM 0 HA GLU A 136 -20.437 3.341 6.437 1.00 0.00 H new ATOM 0 HB2 GLU A 136 -20.691 1.792 3.821 1.00 0.00 H new ATOM 0 HB3 GLU A 136 -21.386 1.277 5.344 1.00 0.00 H new ATOM 0 HG2 GLU A 136 -22.063 3.940 4.050 1.00 0.00 H new ATOM 0 HG3 GLU A 136 -22.951 2.469 3.710 1.00 0.00 H new TER 2204 GLU A 136