USER MOD reduce.3.24.130724 H: found=0, std=0, add=813, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 812 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 94 GLN : amide:sc= -0.762 K(o=-0.89,f=-1.4) USER MOD Set 1.2: A 97 ASN : amide:sc= 0 X(o=-0.89,f=-0.89) USER MOD Set 1.3: A 98 GLN : amide:sc= -0.127 K(o=-0.89,f=-1.7) USER MOD Set 2.1: A 50 LYS NZ :NH3+ -139:sc= 1.54 (180deg=-0.0245) USER MOD Set 2.2: A 66 SER OG : rot 159:sc= 0.826 USER MOD Set 3.1: A 49 TYR OH : rot 141:sc= 0.148 USER MOD Set 3.2: A 70 GLN : amide:sc= -0.0653 K(o=0.083,f=-0.56) USER MOD Single : A 1 GLU N :NH3+ 150:sc=-0.00374 (180deg=-0.856) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= -0.408 X(o=-0.41,f=-0.0075) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 171:sc= 0.0266 (180deg=0.0183) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0469) USER MOD Single : A 27 THR OG1 : rot 52:sc= 0.0578 USER MOD Single : A 32 HIS :FLIP no HD1:sc= -0.598 F(o=-2.7,f=-0.6) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.465 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -167:sc= 0.229 (180deg=0.0781) USER MOD Single : A 46 GLN : amide:sc= -0.407 X(o=-0.41,f=-0.76) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 MET CE :methyl -130:sc= -4.65! (180deg=-9.21!) USER MOD Single : A 59 THR OG1 : rot 80:sc= 0.0238 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc=-0.00694 USER MOD Single : A 71 SER OG : rot 180:sc= 0.0381 USER MOD Single : A 76 LYS NZ :NH3+ 173:sc= 0.692 (180deg=0.657) USER MOD Single : A 77 THR OG1 : rot 70:sc= -0.311 USER MOD Single : A 79 LYS NZ :NH3+ 163:sc= -4.62! (180deg=-5.65!) USER MOD Single : A 84 LYS NZ :NH3+ 137:sc= 0.738 (180deg=-0.395) USER MOD Single : A 87 GLN : amide:sc= -0.112 X(o=-0.11,f=-0.21) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= -0.0174 X(o=-0.017,f=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 16.986 23.107 1.436 1.00 0.00 N ATOM 2 CA GLU A 1 17.137 22.086 2.520 1.00 0.00 C ATOM 3 C GLU A 1 15.797 21.377 2.775 1.00 0.00 C ATOM 4 O GLU A 1 15.077 21.695 3.703 1.00 0.00 O ATOM 5 CB GLU A 1 17.600 22.862 3.765 1.00 0.00 C ATOM 6 CG GLU A 1 16.692 24.076 4.009 1.00 0.00 C ATOM 7 CD GLU A 1 16.533 24.301 5.514 1.00 0.00 C ATOM 8 OE1 GLU A 1 15.659 23.681 6.095 1.00 0.00 O ATOM 9 OE2 GLU A 1 17.288 25.089 6.057 1.00 0.00 O ATOM 0 H1 GLU A 1 17.656 23.886 1.597 1.00 0.00 H new ATOM 0 H2 GLU A 1 17.182 22.666 0.514 1.00 0.00 H new ATOM 0 H3 GLU A 1 16.015 23.479 1.442 1.00 0.00 H new ATOM 0 HA GLU A 1 17.855 21.311 2.252 1.00 0.00 H new ATOM 0 HB2 GLU A 1 17.584 22.207 4.636 1.00 0.00 H new ATOM 0 HB3 GLU A 1 18.631 23.192 3.633 1.00 0.00 H new ATOM 0 HG2 GLU A 1 17.119 24.963 3.541 1.00 0.00 H new ATOM 0 HG3 GLU A 1 15.717 23.912 3.550 1.00 0.00 H new ATOM 18 N ALA A 2 15.460 20.413 1.955 1.00 0.00 N ATOM 19 CA ALA A 2 14.171 19.680 2.144 1.00 0.00 C ATOM 20 C ALA A 2 14.356 18.527 3.140 1.00 0.00 C ATOM 21 O ALA A 2 15.360 17.839 3.126 1.00 0.00 O ATOM 22 CB ALA A 2 13.809 19.139 0.758 1.00 0.00 C ATOM 0 H ALA A 2 16.022 20.102 1.163 1.00 0.00 H new ATOM 0 HA ALA A 2 13.388 20.324 2.545 1.00 0.00 H new ATOM 0 HB1 ALA A 2 12.871 18.587 0.816 1.00 0.00 H new ATOM 0 HB2 ALA A 2 13.699 19.969 0.061 1.00 0.00 H new ATOM 0 HB3 ALA A 2 14.600 18.475 0.409 1.00 0.00 H new ATOM 28 N TYR A 3 13.391 18.312 3.999 1.00 0.00 N ATOM 29 CA TYR A 3 13.502 17.204 5.000 1.00 0.00 C ATOM 30 C TYR A 3 13.172 15.859 4.338 1.00 0.00 C ATOM 31 O TYR A 3 12.335 15.778 3.458 1.00 0.00 O ATOM 32 CB TYR A 3 12.473 17.543 6.088 1.00 0.00 C ATOM 33 CG TYR A 3 12.283 16.356 7.003 1.00 0.00 C ATOM 34 CD1 TYR A 3 13.294 15.991 7.900 1.00 0.00 C ATOM 35 CD2 TYR A 3 11.095 15.616 6.951 1.00 0.00 C ATOM 36 CE1 TYR A 3 13.117 14.888 8.743 1.00 0.00 C ATOM 37 CE2 TYR A 3 10.918 14.515 7.795 1.00 0.00 C ATOM 38 CZ TYR A 3 11.929 14.150 8.690 1.00 0.00 C ATOM 39 OH TYR A 3 11.754 13.063 9.521 1.00 0.00 O ATOM 0 H TYR A 3 12.530 18.856 4.051 1.00 0.00 H new ATOM 0 HA TYR A 3 14.508 17.115 5.410 1.00 0.00 H new ATOM 0 HB2 TYR A 3 12.809 18.406 6.663 1.00 0.00 H new ATOM 0 HB3 TYR A 3 11.522 17.816 5.630 1.00 0.00 H new ATOM 0 HD1 TYR A 3 14.211 16.561 7.941 1.00 0.00 H new ATOM 0 HD2 TYR A 3 10.315 15.896 6.259 1.00 0.00 H new ATOM 0 HE1 TYR A 3 13.897 14.606 9.435 1.00 0.00 H new ATOM 0 HE2 TYR A 3 10.001 13.947 7.756 1.00 0.00 H new ATOM 0 HH TYR A 3 10.874 12.664 9.357 1.00 0.00 H new ATOM 49 N VAL A 4 13.827 14.803 4.758 1.00 0.00 N ATOM 50 CA VAL A 4 13.557 13.459 4.162 1.00 0.00 C ATOM 51 C VAL A 4 13.648 12.367 5.241 1.00 0.00 C ATOM 52 O VAL A 4 14.383 12.492 6.205 1.00 0.00 O ATOM 53 CB VAL A 4 14.640 13.272 3.088 1.00 0.00 C ATOM 54 CG1 VAL A 4 15.999 13.000 3.743 1.00 0.00 C ATOM 55 CG2 VAL A 4 14.267 12.092 2.185 1.00 0.00 C ATOM 0 H VAL A 4 14.538 14.815 5.489 1.00 0.00 H new ATOM 0 HA VAL A 4 12.556 13.388 3.737 1.00 0.00 H new ATOM 0 HB VAL A 4 14.708 14.184 2.495 1.00 0.00 H new ATOM 0 HG11 VAL A 4 16.756 12.870 2.970 1.00 0.00 H new ATOM 0 HG12 VAL A 4 16.271 13.842 4.379 1.00 0.00 H new ATOM 0 HG13 VAL A 4 15.937 12.094 4.347 1.00 0.00 H new ATOM 0 HG21 VAL A 4 15.035 11.960 1.423 1.00 0.00 H new ATOM 0 HG22 VAL A 4 14.190 11.185 2.785 1.00 0.00 H new ATOM 0 HG23 VAL A 4 13.309 12.291 1.704 1.00 0.00 H new ATOM 65 N GLN A 5 12.905 11.300 5.081 1.00 0.00 N ATOM 66 CA GLN A 5 12.942 10.195 6.090 1.00 0.00 C ATOM 67 C GLN A 5 13.761 9.011 5.552 1.00 0.00 C ATOM 68 O GLN A 5 14.181 9.008 4.410 1.00 0.00 O ATOM 69 CB GLN A 5 11.478 9.793 6.297 1.00 0.00 C ATOM 70 CG GLN A 5 10.751 10.890 7.085 1.00 0.00 C ATOM 71 CD GLN A 5 9.236 10.738 6.918 1.00 0.00 C ATOM 72 OE1 GLN A 5 8.518 10.607 7.888 1.00 0.00 O ATOM 73 NE2 GLN A 5 8.711 10.758 5.722 1.00 0.00 N ATOM 0 H GLN A 5 12.274 11.146 4.295 1.00 0.00 H new ATOM 0 HA GLN A 5 13.412 10.504 7.024 1.00 0.00 H new ATOM 0 HB2 GLN A 5 10.992 9.641 5.333 1.00 0.00 H new ATOM 0 HB3 GLN A 5 11.423 8.847 6.835 1.00 0.00 H new ATOM 0 HG2 GLN A 5 11.017 10.828 8.140 1.00 0.00 H new ATOM 0 HG3 GLN A 5 11.067 11.872 6.734 1.00 0.00 H new ATOM 0 HE21 GLN A 5 9.310 10.868 4.904 1.00 0.00 H new ATOM 0 HE22 GLN A 5 7.702 10.664 5.606 1.00 0.00 H new ATOM 82 N GLY A 6 13.993 8.012 6.368 1.00 0.00 N ATOM 83 CA GLY A 6 14.785 6.831 5.912 1.00 0.00 C ATOM 84 C GLY A 6 13.839 5.671 5.592 1.00 0.00 C ATOM 85 O GLY A 6 13.685 5.285 4.449 1.00 0.00 O ATOM 0 H GLY A 6 13.666 7.965 7.333 1.00 0.00 H new ATOM 0 HA2 GLY A 6 15.369 7.091 5.029 1.00 0.00 H new ATOM 0 HA3 GLY A 6 15.492 6.534 6.686 1.00 0.00 H new ATOM 89 N TRP A 7 13.202 5.116 6.596 1.00 0.00 N ATOM 90 CA TRP A 7 12.257 3.979 6.357 1.00 0.00 C ATOM 91 C TRP A 7 11.029 4.465 5.578 1.00 0.00 C ATOM 92 O TRP A 7 10.509 3.765 4.729 1.00 0.00 O ATOM 93 CB TRP A 7 11.850 3.488 7.753 1.00 0.00 C ATOM 94 CG TRP A 7 12.763 2.382 8.193 1.00 0.00 C ATOM 95 CD1 TRP A 7 14.095 2.327 7.959 1.00 0.00 C ATOM 96 CD2 TRP A 7 12.431 1.176 8.943 1.00 0.00 C ATOM 97 NE1 TRP A 7 14.600 1.165 8.512 1.00 0.00 N ATOM 98 CE2 TRP A 7 13.614 0.422 9.131 1.00 0.00 C ATOM 99 CE3 TRP A 7 11.231 0.669 9.473 1.00 0.00 C ATOM 100 CZ2 TRP A 7 13.606 -0.792 9.819 1.00 0.00 C ATOM 101 CZ3 TRP A 7 11.219 -0.552 10.166 1.00 0.00 C ATOM 102 CH2 TRP A 7 12.405 -1.281 10.338 1.00 0.00 C ATOM 0 H TRP A 7 13.296 5.402 7.571 1.00 0.00 H new ATOM 0 HA TRP A 7 12.714 3.184 5.767 1.00 0.00 H new ATOM 0 HB2 TRP A 7 11.894 4.312 8.465 1.00 0.00 H new ATOM 0 HB3 TRP A 7 10.819 3.135 7.737 1.00 0.00 H new ATOM 0 HD1 TRP A 7 14.670 3.070 7.427 1.00 0.00 H new ATOM 0 HE1 TRP A 7 15.581 0.890 8.468 1.00 0.00 H new ATOM 0 HE3 TRP A 7 10.312 1.223 9.346 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 14.522 -1.349 9.949 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 10.292 -0.932 10.569 1.00 0.00 H new ATOM 0 HH2 TRP A 7 12.390 -2.220 10.871 1.00 0.00 H new ATOM 113 N GLU A 8 10.570 5.663 5.853 1.00 0.00 N ATOM 114 CA GLU A 8 9.384 6.202 5.121 1.00 0.00 C ATOM 115 C GLU A 8 9.735 6.426 3.646 1.00 0.00 C ATOM 116 O GLU A 8 8.919 6.205 2.773 1.00 0.00 O ATOM 117 CB GLU A 8 9.045 7.530 5.806 1.00 0.00 C ATOM 118 CG GLU A 8 7.768 7.370 6.636 1.00 0.00 C ATOM 119 CD GLU A 8 8.130 6.967 8.068 1.00 0.00 C ATOM 120 OE1 GLU A 8 8.516 5.826 8.264 1.00 0.00 O ATOM 121 OE2 GLU A 8 8.009 7.806 8.948 1.00 0.00 O ATOM 0 H GLU A 8 10.967 6.290 6.553 1.00 0.00 H new ATOM 0 HA GLU A 8 8.539 5.514 5.148 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.870 7.841 6.447 1.00 0.00 H new ATOM 0 HB3 GLU A 8 8.909 8.312 5.059 1.00 0.00 H new ATOM 0 HG2 GLU A 8 7.207 8.305 6.642 1.00 0.00 H new ATOM 0 HG3 GLU A 8 7.123 6.614 6.187 1.00 0.00 H new ATOM 128 N ALA A 9 10.943 6.851 3.363 1.00 0.00 N ATOM 129 CA ALA A 9 11.348 7.072 1.943 1.00 0.00 C ATOM 130 C ALA A 9 11.409 5.731 1.205 1.00 0.00 C ATOM 131 O ALA A 9 10.959 5.614 0.081 1.00 0.00 O ATOM 132 CB ALA A 9 12.735 7.719 2.004 1.00 0.00 C ATOM 0 H ALA A 9 11.664 7.054 4.055 1.00 0.00 H new ATOM 0 HA ALA A 9 10.639 7.704 1.408 1.00 0.00 H new ATOM 0 HB1 ALA A 9 13.093 7.909 0.992 1.00 0.00 H new ATOM 0 HB2 ALA A 9 12.674 8.661 2.550 1.00 0.00 H new ATOM 0 HB3 ALA A 9 13.427 7.049 2.514 1.00 0.00 H new ATOM 138 N VAL A 10 11.942 4.715 1.839 1.00 0.00 N ATOM 139 CA VAL A 10 12.011 3.375 1.182 1.00 0.00 C ATOM 140 C VAL A 10 10.597 2.805 1.062 1.00 0.00 C ATOM 141 O VAL A 10 10.233 2.224 0.057 1.00 0.00 O ATOM 142 CB VAL A 10 12.883 2.511 2.105 1.00 0.00 C ATOM 143 CG1 VAL A 10 12.919 1.070 1.587 1.00 0.00 C ATOM 144 CG2 VAL A 10 14.310 3.071 2.137 1.00 0.00 C ATOM 0 H VAL A 10 12.331 4.757 2.781 1.00 0.00 H new ATOM 0 HA VAL A 10 12.432 3.415 0.177 1.00 0.00 H new ATOM 0 HB VAL A 10 12.460 2.525 3.110 1.00 0.00 H new ATOM 0 HG11 VAL A 10 13.539 0.462 2.246 1.00 0.00 H new ATOM 0 HG12 VAL A 10 11.907 0.666 1.566 1.00 0.00 H new ATOM 0 HG13 VAL A 10 13.337 1.056 0.580 1.00 0.00 H new ATOM 0 HG21 VAL A 10 14.927 2.457 2.792 1.00 0.00 H new ATOM 0 HG22 VAL A 10 14.728 3.060 1.130 1.00 0.00 H new ATOM 0 HG23 VAL A 10 14.291 4.095 2.511 1.00 0.00 H new ATOM 154 N ALA A 11 9.790 2.997 2.074 1.00 0.00 N ATOM 155 CA ALA A 11 8.390 2.499 2.018 1.00 0.00 C ATOM 156 C ALA A 11 7.622 3.288 0.952 1.00 0.00 C ATOM 157 O ALA A 11 6.851 2.730 0.194 1.00 0.00 O ATOM 158 CB ALA A 11 7.817 2.758 3.414 1.00 0.00 C ATOM 0 H ALA A 11 10.044 3.478 2.937 1.00 0.00 H new ATOM 0 HA ALA A 11 8.321 1.443 1.755 1.00 0.00 H new ATOM 0 HB1 ALA A 11 6.783 2.416 3.452 1.00 0.00 H new ATOM 0 HB2 ALA A 11 8.406 2.217 4.155 1.00 0.00 H new ATOM 0 HB3 ALA A 11 7.854 3.826 3.630 1.00 0.00 H new ATOM 164 N ALA A 12 7.844 4.581 0.880 1.00 0.00 N ATOM 165 CA ALA A 12 7.146 5.413 -0.145 1.00 0.00 C ATOM 166 C ALA A 12 7.510 4.921 -1.547 1.00 0.00 C ATOM 167 O ALA A 12 6.665 4.838 -2.418 1.00 0.00 O ATOM 168 CB ALA A 12 7.652 6.842 0.071 1.00 0.00 C ATOM 0 H ALA A 12 8.481 5.094 1.490 1.00 0.00 H new ATOM 0 HA ALA A 12 6.061 5.356 -0.052 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.179 7.508 -0.650 1.00 0.00 H new ATOM 0 HB2 ALA A 12 7.405 7.167 1.082 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.733 6.869 -0.064 1.00 0.00 H new ATOM 174 N ALA A 13 8.759 4.578 -1.766 1.00 0.00 N ATOM 175 CA ALA A 13 9.176 4.072 -3.107 1.00 0.00 C ATOM 176 C ALA A 13 8.393 2.801 -3.440 1.00 0.00 C ATOM 177 O ALA A 13 7.909 2.633 -4.543 1.00 0.00 O ATOM 178 CB ALA A 13 10.673 3.773 -2.981 1.00 0.00 C ATOM 0 H ALA A 13 9.505 4.628 -1.072 1.00 0.00 H new ATOM 0 HA ALA A 13 8.982 4.790 -3.904 1.00 0.00 H new ATOM 0 HB1 ALA A 13 11.050 3.396 -3.932 1.00 0.00 H new ATOM 0 HB2 ALA A 13 11.205 4.686 -2.716 1.00 0.00 H new ATOM 0 HB3 ALA A 13 10.830 3.024 -2.205 1.00 0.00 H new ATOM 184 N VAL A 14 8.247 1.915 -2.484 1.00 0.00 N ATOM 185 CA VAL A 14 7.472 0.661 -2.739 1.00 0.00 C ATOM 186 C VAL A 14 6.019 1.022 -3.075 1.00 0.00 C ATOM 187 O VAL A 14 5.443 0.498 -4.011 1.00 0.00 O ATOM 188 CB VAL A 14 7.547 -0.153 -1.437 1.00 0.00 C ATOM 189 CG1 VAL A 14 6.860 -1.508 -1.634 1.00 0.00 C ATOM 190 CG2 VAL A 14 9.011 -0.388 -1.056 1.00 0.00 C ATOM 0 H VAL A 14 8.629 2.006 -1.543 1.00 0.00 H new ATOM 0 HA VAL A 14 7.871 0.090 -3.577 1.00 0.00 H new ATOM 0 HB VAL A 14 7.046 0.402 -0.644 1.00 0.00 H new ATOM 0 HG11 VAL A 14 6.915 -2.082 -0.709 1.00 0.00 H new ATOM 0 HG12 VAL A 14 5.815 -1.351 -1.901 1.00 0.00 H new ATOM 0 HG13 VAL A 14 7.360 -2.057 -2.432 1.00 0.00 H new ATOM 0 HG21 VAL A 14 9.059 -0.965 -0.133 1.00 0.00 H new ATOM 0 HG22 VAL A 14 9.511 -0.938 -1.854 1.00 0.00 H new ATOM 0 HG23 VAL A 14 9.507 0.571 -0.910 1.00 0.00 H new ATOM 200 N ALA A 15 5.434 1.930 -2.327 1.00 0.00 N ATOM 201 CA ALA A 15 4.027 2.348 -2.609 1.00 0.00 C ATOM 202 C ALA A 15 3.938 2.985 -4.004 1.00 0.00 C ATOM 203 O ALA A 15 2.992 2.763 -4.737 1.00 0.00 O ATOM 204 CB ALA A 15 3.684 3.373 -1.525 1.00 0.00 C ATOM 0 H ALA A 15 5.873 2.398 -1.534 1.00 0.00 H new ATOM 0 HA ALA A 15 3.336 1.505 -2.597 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.663 3.726 -1.668 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.773 2.908 -0.543 1.00 0.00 H new ATOM 0 HB3 ALA A 15 4.372 4.216 -1.591 1.00 0.00 H new ATOM 210 N SER A 16 4.927 3.768 -4.376 1.00 0.00 N ATOM 211 CA SER A 16 4.916 4.412 -5.724 1.00 0.00 C ATOM 212 C SER A 16 4.971 3.340 -6.819 1.00 0.00 C ATOM 213 O SER A 16 4.319 3.456 -7.839 1.00 0.00 O ATOM 214 CB SER A 16 6.169 5.291 -5.767 1.00 0.00 C ATOM 215 OG SER A 16 6.016 6.285 -6.773 1.00 0.00 O ATOM 0 H SER A 16 5.740 3.986 -3.801 1.00 0.00 H new ATOM 0 HA SER A 16 4.011 4.996 -5.892 1.00 0.00 H new ATOM 0 HB2 SER A 16 6.330 5.762 -4.797 1.00 0.00 H new ATOM 0 HB3 SER A 16 7.048 4.680 -5.975 1.00 0.00 H new ATOM 0 HG SER A 16 6.817 6.849 -6.800 1.00 0.00 H new ATOM 221 N LYS A 17 5.738 2.294 -6.611 1.00 0.00 N ATOM 222 CA LYS A 17 5.820 1.214 -7.637 1.00 0.00 C ATOM 223 C LYS A 17 4.470 0.488 -7.743 1.00 0.00 C ATOM 224 O LYS A 17 4.075 0.061 -8.811 1.00 0.00 O ATOM 225 CB LYS A 17 6.920 0.261 -7.152 1.00 0.00 C ATOM 226 CG LYS A 17 7.236 -0.751 -8.258 1.00 0.00 C ATOM 227 CD LYS A 17 8.704 -1.171 -8.170 1.00 0.00 C ATOM 228 CE LYS A 17 8.933 -2.410 -9.043 1.00 0.00 C ATOM 229 NZ LYS A 17 9.958 -2.004 -10.050 1.00 0.00 N ATOM 0 H LYS A 17 6.307 2.146 -5.777 1.00 0.00 H new ATOM 0 HA LYS A 17 6.050 1.606 -8.628 1.00 0.00 H new ATOM 0 HB2 LYS A 17 7.816 0.824 -6.891 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.596 -0.258 -6.250 1.00 0.00 H new ATOM 0 HG2 LYS A 17 6.592 -1.625 -8.160 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.031 -0.312 -9.235 1.00 0.00 H new ATOM 0 HD2 LYS A 17 9.347 -0.356 -8.501 1.00 0.00 H new ATOM 0 HD3 LYS A 17 8.970 -1.387 -7.135 1.00 0.00 H new ATOM 0 HE2 LYS A 17 9.282 -3.252 -8.445 1.00 0.00 H new ATOM 0 HE3 LYS A 17 8.009 -2.725 -9.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 10.274 -2.841 -10.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 9.544 -1.313 -10.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 10.771 -1.575 -9.564 1.00 0.00 H new ATOM 243 N ILE A 18 3.756 0.358 -6.645 1.00 0.00 N ATOM 244 CA ILE A 18 2.427 -0.326 -6.688 1.00 0.00 C ATOM 245 C ILE A 18 1.478 0.443 -7.615 1.00 0.00 C ATOM 246 O ILE A 18 0.840 -0.134 -8.472 1.00 0.00 O ATOM 247 CB ILE A 18 1.907 -0.315 -5.242 1.00 0.00 C ATOM 248 CG1 ILE A 18 2.630 -1.400 -4.432 1.00 0.00 C ATOM 249 CG2 ILE A 18 0.397 -0.591 -5.230 1.00 0.00 C ATOM 250 CD1 ILE A 18 2.008 -1.505 -3.038 1.00 0.00 C ATOM 0 H ILE A 18 4.039 0.696 -5.725 1.00 0.00 H new ATOM 0 HA ILE A 18 2.499 -1.343 -7.073 1.00 0.00 H new ATOM 0 HB ILE A 18 2.098 0.662 -4.799 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.559 -2.359 -4.946 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.690 -1.160 -4.350 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.034 -0.582 -4.202 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.118 0.179 -5.804 1.00 0.00 H new ATOM 0 HG23 ILE A 18 0.202 -1.567 -5.675 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.524 -2.276 -2.466 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.103 -0.548 -2.524 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.953 -1.765 -3.129 1.00 0.00 H new ATOM 262 N VAL A 19 1.390 1.744 -7.456 1.00 0.00 N ATOM 263 CA VAL A 19 0.486 2.551 -8.337 1.00 0.00 C ATOM 264 C VAL A 19 0.941 2.438 -9.800 1.00 0.00 C ATOM 265 O VAL A 19 0.132 2.345 -10.702 1.00 0.00 O ATOM 266 CB VAL A 19 0.612 3.996 -7.829 1.00 0.00 C ATOM 267 CG1 VAL A 19 0.053 4.969 -8.874 1.00 0.00 C ATOM 268 CG2 VAL A 19 -0.180 4.151 -6.527 1.00 0.00 C ATOM 0 H VAL A 19 1.904 2.280 -6.756 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.547 2.206 -8.302 1.00 0.00 H new ATOM 0 HB VAL A 19 1.664 4.219 -7.652 1.00 0.00 H new ATOM 0 HG11 VAL A 19 0.146 5.991 -8.506 1.00 0.00 H new ATOM 0 HG12 VAL A 19 0.613 4.866 -9.804 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.998 4.743 -9.056 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.091 5.176 -6.167 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.230 3.921 -6.710 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.216 3.467 -5.777 1.00 0.00 H new ATOM 278 N GLY A 20 2.232 2.437 -10.035 1.00 0.00 N ATOM 279 CA GLY A 20 2.747 2.323 -11.434 1.00 0.00 C ATOM 280 C GLY A 20 2.455 0.919 -11.990 1.00 0.00 C ATOM 281 O GLY A 20 2.305 0.741 -13.184 1.00 0.00 O ATOM 0 H GLY A 20 2.951 2.510 -9.316 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.278 3.078 -12.065 1.00 0.00 H new ATOM 0 HA3 GLY A 20 3.820 2.514 -11.452 1.00 0.00 H new ATOM 285 N LEU A 21 2.377 -0.076 -11.135 1.00 0.00 N ATOM 286 CA LEU A 21 2.101 -1.466 -11.613 1.00 0.00 C ATOM 287 C LEU A 21 0.754 -1.976 -11.073 1.00 0.00 C ATOM 288 O LEU A 21 0.610 -3.141 -10.743 1.00 0.00 O ATOM 289 CB LEU A 21 3.256 -2.305 -11.059 1.00 0.00 C ATOM 290 CG LEU A 21 3.396 -3.594 -11.873 1.00 0.00 C ATOM 291 CD1 LEU A 21 4.225 -3.323 -13.130 1.00 0.00 C ATOM 292 CD2 LEU A 21 4.095 -4.660 -11.024 1.00 0.00 C ATOM 0 H LEU A 21 2.493 0.018 -10.126 1.00 0.00 H new ATOM 0 HA LEU A 21 2.035 -1.519 -12.700 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.184 -1.735 -11.100 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.075 -2.543 -10.011 1.00 0.00 H new ATOM 0 HG LEU A 21 2.406 -3.947 -12.162 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.323 -4.243 -13.707 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.729 -2.565 -13.737 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.215 -2.968 -12.843 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.195 -5.578 -11.603 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.084 -4.304 -10.735 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.504 -4.858 -10.129 1.00 0.00 H new ATOM 304 N TRP A 22 -0.233 -1.119 -10.985 1.00 0.00 N ATOM 305 CA TRP A 22 -1.563 -1.561 -10.472 1.00 0.00 C ATOM 306 C TRP A 22 -2.529 -1.835 -11.637 1.00 0.00 C ATOM 307 O TRP A 22 -2.637 -1.058 -12.566 1.00 0.00 O ATOM 308 CB TRP A 22 -2.076 -0.402 -9.606 1.00 0.00 C ATOM 309 CG TRP A 22 -3.447 -0.722 -9.086 1.00 0.00 C ATOM 310 CD1 TRP A 22 -3.865 -1.947 -8.686 1.00 0.00 C ATOM 311 CD2 TRP A 22 -4.584 0.174 -8.903 1.00 0.00 C ATOM 312 NE1 TRP A 22 -5.184 -1.860 -8.283 1.00 0.00 N ATOM 313 CE2 TRP A 22 -5.672 -0.574 -8.391 1.00 0.00 C ATOM 314 CE3 TRP A 22 -4.774 1.548 -9.129 1.00 0.00 C ATOM 315 CZ2 TRP A 22 -6.905 0.021 -8.115 1.00 0.00 C ATOM 316 CZ3 TRP A 22 -6.013 2.150 -8.851 1.00 0.00 C ATOM 317 CH2 TRP A 22 -7.076 1.389 -8.345 1.00 0.00 C ATOM 0 H TRP A 22 -0.174 -0.135 -11.246 1.00 0.00 H new ATOM 0 HA TRP A 22 -1.488 -2.487 -9.902 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -1.393 -0.228 -8.774 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -2.105 0.517 -10.192 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -3.265 -2.845 -8.683 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -5.731 -2.652 -7.946 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -3.963 2.145 -9.519 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -7.720 -0.571 -7.727 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -6.147 3.207 -9.029 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -8.025 1.859 -8.133 1.00 0.00 H new ATOM 328 N ARG A 23 -3.241 -2.929 -11.569 1.00 0.00 N ATOM 329 CA ARG A 23 -4.225 -3.272 -12.640 1.00 0.00 C ATOM 330 C ARG A 23 -5.625 -2.850 -12.166 1.00 0.00 C ATOM 331 O ARG A 23 -5.754 -2.130 -11.194 1.00 0.00 O ATOM 332 CB ARG A 23 -4.125 -4.803 -12.807 1.00 0.00 C ATOM 333 CG ARG A 23 -2.657 -5.246 -12.786 1.00 0.00 C ATOM 334 CD ARG A 23 -2.578 -6.760 -13.001 1.00 0.00 C ATOM 335 NE ARG A 23 -1.142 -7.106 -12.797 1.00 0.00 N ATOM 336 CZ ARG A 23 -0.411 -7.493 -13.809 1.00 0.00 C ATOM 337 NH1 ARG A 23 -0.026 -6.623 -14.707 1.00 0.00 N ATOM 338 NH2 ARG A 23 -0.064 -8.748 -13.922 1.00 0.00 N ATOM 0 H ARG A 23 -3.183 -3.607 -10.809 1.00 0.00 H new ATOM 0 HA ARG A 23 -4.031 -2.768 -13.587 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -4.673 -5.300 -12.006 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.589 -5.104 -13.746 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -2.098 -4.728 -13.565 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -2.199 -4.979 -11.834 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.216 -7.292 -12.296 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.911 -7.034 -14.002 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.730 -7.041 -11.866 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -0.296 -5.644 -14.617 1.00 0.00 H new ATOM 0 HH12 ARG A 23 0.545 -6.924 -15.497 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -0.364 -9.425 -13.221 1.00 0.00 H new ATOM 0 HH22 ARG A 23 0.506 -9.050 -14.712 1.00 0.00 H new ATOM 352 N ASN A 24 -6.673 -3.281 -12.833 1.00 0.00 N ATOM 353 CA ASN A 24 -8.058 -2.894 -12.399 1.00 0.00 C ATOM 354 C ASN A 24 -8.228 -3.119 -10.889 1.00 0.00 C ATOM 355 O ASN A 24 -8.780 -2.291 -10.189 1.00 0.00 O ATOM 356 CB ASN A 24 -8.997 -3.817 -13.180 1.00 0.00 C ATOM 357 CG ASN A 24 -9.463 -3.120 -14.459 1.00 0.00 C ATOM 358 OD1 ASN A 24 -8.836 -3.245 -15.492 1.00 0.00 O ATOM 359 ND2 ASN A 24 -10.544 -2.387 -14.438 1.00 0.00 N ATOM 0 H ASN A 24 -6.630 -3.882 -13.656 1.00 0.00 H new ATOM 0 HA ASN A 24 -8.265 -1.841 -12.591 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -8.485 -4.747 -13.428 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -9.857 -4.081 -12.565 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -10.861 -1.921 -15.288 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -11.072 -2.281 -13.571 1.00 0.00 H new ATOM 366 N GLU A 25 -7.746 -4.231 -10.389 1.00 0.00 N ATOM 367 CA GLU A 25 -7.864 -4.524 -8.925 1.00 0.00 C ATOM 368 C GLU A 25 -6.814 -5.564 -8.498 1.00 0.00 C ATOM 369 O GLU A 25 -7.070 -6.411 -7.660 1.00 0.00 O ATOM 370 CB GLU A 25 -9.286 -5.070 -8.733 1.00 0.00 C ATOM 371 CG GLU A 25 -9.477 -6.351 -9.556 1.00 0.00 C ATOM 372 CD GLU A 25 -10.807 -6.280 -10.312 1.00 0.00 C ATOM 373 OE1 GLU A 25 -11.811 -6.672 -9.742 1.00 0.00 O ATOM 374 OE2 GLU A 25 -10.798 -5.835 -11.448 1.00 0.00 O ATOM 0 H GLU A 25 -7.274 -4.952 -10.934 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.689 -3.637 -8.315 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.465 -5.277 -7.678 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -10.016 -4.320 -9.039 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -8.653 -6.470 -10.259 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.465 -7.222 -8.901 1.00 0.00 H new ATOM 381 N LYS A 26 -5.636 -5.506 -9.070 1.00 0.00 N ATOM 382 CA LYS A 26 -4.569 -6.487 -8.708 1.00 0.00 C ATOM 383 C LYS A 26 -3.180 -5.856 -8.875 1.00 0.00 C ATOM 384 O LYS A 26 -3.009 -4.905 -9.610 1.00 0.00 O ATOM 385 CB LYS A 26 -4.754 -7.640 -9.696 1.00 0.00 C ATOM 386 CG LYS A 26 -4.099 -8.907 -9.135 1.00 0.00 C ATOM 387 CD LYS A 26 -4.439 -10.103 -10.028 1.00 0.00 C ATOM 388 CE LYS A 26 -5.394 -11.047 -9.288 1.00 0.00 C ATOM 389 NZ LYS A 26 -6.743 -10.426 -9.424 1.00 0.00 N ATOM 0 H LYS A 26 -5.368 -4.819 -9.774 1.00 0.00 H new ATOM 0 HA LYS A 26 -4.642 -6.814 -7.671 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -5.815 -7.815 -9.872 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -4.309 -7.383 -10.657 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -3.018 -8.776 -9.082 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.448 -9.089 -8.119 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -4.899 -9.758 -10.954 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -3.528 -10.634 -10.303 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -5.375 -12.046 -9.723 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -5.112 -11.150 -8.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -7.460 -11.059 -9.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -6.758 -9.516 -8.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -6.953 -10.269 -10.430 1.00 0.00 H new ATOM 403 N THR A 27 -2.188 -6.385 -8.204 1.00 0.00 N ATOM 404 CA THR A 27 -0.804 -5.825 -8.324 1.00 0.00 C ATOM 405 C THR A 27 0.224 -6.889 -7.929 1.00 0.00 C ATOM 406 O THR A 27 -0.124 -8.001 -7.583 1.00 0.00 O ATOM 407 CB THR A 27 -0.763 -4.627 -7.359 1.00 0.00 C ATOM 408 OG1 THR A 27 0.417 -3.865 -7.590 1.00 0.00 O ATOM 409 CG2 THR A 27 -0.773 -5.117 -5.909 1.00 0.00 C ATOM 0 H THR A 27 -2.276 -7.184 -7.576 1.00 0.00 H new ATOM 0 HA THR A 27 -0.565 -5.519 -9.343 1.00 0.00 H new ATOM 0 HB THR A 27 -1.641 -4.005 -7.533 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.482 -3.644 -8.543 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.744 -4.261 -5.235 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.681 -5.692 -5.726 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.098 -5.748 -5.732 1.00 0.00 H new ATOM 417 N GLU A 28 1.486 -6.554 -7.977 1.00 0.00 N ATOM 418 CA GLU A 28 2.541 -7.542 -7.601 1.00 0.00 C ATOM 419 C GLU A 28 3.479 -6.941 -6.550 1.00 0.00 C ATOM 420 O GLU A 28 3.802 -5.770 -6.595 1.00 0.00 O ATOM 421 CB GLU A 28 3.303 -7.829 -8.895 1.00 0.00 C ATOM 422 CG GLU A 28 2.777 -9.119 -9.528 1.00 0.00 C ATOM 423 CD GLU A 28 2.721 -8.953 -11.048 1.00 0.00 C ATOM 424 OE1 GLU A 28 3.774 -8.964 -11.664 1.00 0.00 O ATOM 425 OE2 GLU A 28 1.627 -8.815 -11.569 1.00 0.00 O ATOM 0 H GLU A 28 1.833 -5.638 -8.261 1.00 0.00 H new ATOM 0 HA GLU A 28 2.117 -8.449 -7.170 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.185 -6.997 -9.590 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.369 -7.923 -8.688 1.00 0.00 H new ATOM 0 HG2 GLU A 28 3.424 -9.956 -9.266 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.785 -9.350 -9.139 1.00 0.00 H new ATOM 432 N LEU A 29 3.928 -7.734 -5.612 1.00 0.00 N ATOM 433 CA LEU A 29 4.856 -7.211 -4.564 1.00 0.00 C ATOM 434 C LEU A 29 5.979 -8.224 -4.311 1.00 0.00 C ATOM 435 O LEU A 29 5.728 -9.372 -3.994 1.00 0.00 O ATOM 436 CB LEU A 29 3.994 -7.024 -3.313 1.00 0.00 C ATOM 437 CG LEU A 29 3.399 -5.612 -3.309 1.00 0.00 C ATOM 438 CD1 LEU A 29 2.047 -5.625 -2.594 1.00 0.00 C ATOM 439 CD2 LEU A 29 4.351 -4.658 -2.580 1.00 0.00 C ATOM 0 H LEU A 29 3.692 -8.723 -5.526 1.00 0.00 H new ATOM 0 HA LEU A 29 5.332 -6.276 -4.860 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.196 -7.766 -3.294 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.595 -7.179 -2.417 1.00 0.00 H new ATOM 0 HG LEU A 29 3.262 -5.276 -4.337 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.626 -4.619 -2.593 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.368 -6.302 -3.112 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.182 -5.963 -1.567 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.928 -3.654 -2.577 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.489 -4.996 -1.553 1.00 0.00 H new ATOM 0 HD23 LEU A 29 5.314 -4.645 -3.090 1.00 0.00 H new ATOM 451 N LEU A 30 7.216 -7.802 -4.460 1.00 0.00 N ATOM 452 CA LEU A 30 8.383 -8.721 -4.245 1.00 0.00 C ATOM 453 C LEU A 30 8.281 -9.965 -5.146 1.00 0.00 C ATOM 454 O LEU A 30 8.758 -11.031 -4.802 1.00 0.00 O ATOM 455 CB LEU A 30 8.330 -9.113 -2.765 1.00 0.00 C ATOM 456 CG LEU A 30 9.755 -9.241 -2.222 1.00 0.00 C ATOM 457 CD1 LEU A 30 10.362 -7.848 -2.027 1.00 0.00 C ATOM 458 CD2 LEU A 30 9.725 -9.977 -0.880 1.00 0.00 C ATOM 0 H LEU A 30 7.468 -6.850 -4.724 1.00 0.00 H new ATOM 0 HA LEU A 30 9.325 -8.236 -4.500 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.779 -8.363 -2.198 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.798 -10.057 -2.646 1.00 0.00 H new ATOM 0 HG LEU A 30 10.362 -9.802 -2.933 1.00 0.00 H new ATOM 0 HD11 LEU A 30 11.377 -7.944 -1.640 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.386 -7.325 -2.983 1.00 0.00 H new ATOM 0 HD13 LEU A 30 9.756 -7.283 -1.319 1.00 0.00 H new ATOM 0 HD21 LEU A 30 10.740 -10.069 -0.493 1.00 0.00 H new ATOM 0 HD22 LEU A 30 9.115 -9.417 -0.171 1.00 0.00 H new ATOM 0 HD23 LEU A 30 9.299 -10.970 -1.019 1.00 0.00 H new ATOM 470 N GLY A 31 7.673 -9.833 -6.302 1.00 0.00 N ATOM 471 CA GLY A 31 7.545 -10.996 -7.233 1.00 0.00 C ATOM 472 C GLY A 31 6.354 -11.880 -6.832 1.00 0.00 C ATOM 473 O GLY A 31 6.275 -13.029 -7.226 1.00 0.00 O ATOM 0 H GLY A 31 7.259 -8.965 -6.640 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.412 -10.639 -8.254 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.463 -11.584 -7.218 1.00 0.00 H new ATOM 477 N HIS A 32 5.428 -11.362 -6.058 1.00 0.00 N ATOM 478 CA HIS A 32 4.252 -12.179 -5.640 1.00 0.00 C ATOM 479 C HIS A 32 2.956 -11.543 -6.154 1.00 0.00 C ATOM 480 O HIS A 32 2.929 -10.386 -6.532 1.00 0.00 O ATOM 481 CB HIS A 32 4.278 -12.159 -4.111 1.00 0.00 C ATOM 482 CG HIS A 32 5.560 -12.767 -3.611 1.00 0.00 C ATOM 483 ND1 HIS A 32 6.529 -12.286 -2.769 1.00 0.00 N flip ATOM 484 CD2 HIS A 32 5.979 -14.036 -3.985 1.00 0.00 C flip ATOM 485 CE1 HIS A 32 7.537 -13.235 -2.621 1.00 0.00 C flip ATOM 486 NE2 HIS A 32 7.155 -14.269 -3.375 1.00 0.00 N flip ATOM 0 H HIS A 32 5.440 -10.407 -5.699 1.00 0.00 H new ATOM 0 HA HIS A 32 4.294 -13.192 -6.039 1.00 0.00 H new ATOM 0 HB2 HIS A 32 4.187 -11.134 -3.751 1.00 0.00 H new ATOM 0 HB3 HIS A 32 3.425 -12.712 -3.717 1.00 0.00 H new ATOM 0 HD2 HIS A 32 5.457 -14.713 -4.645 1.00 0.00 H new ATOM 0 HE1 HIS A 32 8.434 -13.153 -2.025 1.00 0.00 H new ATOM 0 HE2 HIS A 32 7.690 -15.131 -3.476 1.00 0.00 H new ATOM 494 N GLU A 33 1.881 -12.289 -6.160 1.00 0.00 N ATOM 495 CA GLU A 33 0.582 -11.726 -6.637 1.00 0.00 C ATOM 496 C GLU A 33 -0.168 -11.082 -5.467 1.00 0.00 C ATOM 497 O GLU A 33 -0.267 -11.646 -4.392 1.00 0.00 O ATOM 498 CB GLU A 33 -0.201 -12.918 -7.197 1.00 0.00 C ATOM 499 CG GLU A 33 -0.249 -12.823 -8.725 1.00 0.00 C ATOM 500 CD GLU A 33 -1.574 -13.389 -9.241 1.00 0.00 C ATOM 501 OE1 GLU A 33 -2.607 -12.830 -8.907 1.00 0.00 O ATOM 502 OE2 GLU A 33 -1.534 -14.369 -9.968 1.00 0.00 O ATOM 0 H GLU A 33 1.846 -13.262 -5.856 1.00 0.00 H new ATOM 0 HA GLU A 33 0.720 -10.953 -7.393 1.00 0.00 H new ATOM 0 HB2 GLU A 33 0.272 -13.852 -6.894 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.212 -12.926 -6.790 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.141 -11.784 -9.037 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.585 -13.374 -9.159 1.00 0.00 H new ATOM 509 N CYS A 34 -0.689 -9.900 -5.668 1.00 0.00 N ATOM 510 CA CYS A 34 -1.426 -9.206 -4.572 1.00 0.00 C ATOM 511 C CYS A 34 -2.728 -8.591 -5.094 1.00 0.00 C ATOM 512 O CYS A 34 -2.939 -8.463 -6.288 1.00 0.00 O ATOM 513 CB CYS A 34 -0.476 -8.111 -4.086 1.00 0.00 C ATOM 514 SG CYS A 34 0.972 -8.868 -3.305 1.00 0.00 S ATOM 0 H CYS A 34 -0.635 -9.384 -6.546 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.705 -9.894 -3.774 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.165 -7.486 -4.924 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.987 -7.461 -3.376 1.00 0.00 H new ATOM 519 N LYS A 35 -3.602 -8.206 -4.199 1.00 0.00 N ATOM 520 CA LYS A 35 -4.896 -7.593 -4.618 1.00 0.00 C ATOM 521 C LYS A 35 -5.005 -6.161 -4.086 1.00 0.00 C ATOM 522 O LYS A 35 -5.003 -5.929 -2.893 1.00 0.00 O ATOM 523 CB LYS A 35 -5.978 -8.480 -3.999 1.00 0.00 C ATOM 524 CG LYS A 35 -7.342 -8.118 -4.594 1.00 0.00 C ATOM 525 CD LYS A 35 -7.623 -8.995 -5.820 1.00 0.00 C ATOM 526 CE LYS A 35 -8.870 -9.852 -5.567 1.00 0.00 C ATOM 527 NZ LYS A 35 -10.030 -8.965 -5.883 1.00 0.00 N ATOM 0 H LYS A 35 -3.473 -8.291 -3.191 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.989 -7.535 -5.702 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.754 -9.530 -4.189 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.995 -8.348 -2.917 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -8.124 -8.259 -3.848 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -7.358 -7.065 -4.877 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -7.772 -8.370 -6.700 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -6.765 -9.635 -6.026 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -8.871 -10.741 -6.198 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -8.908 -10.195 -4.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -10.917 -9.486 -5.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -10.009 -8.131 -5.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -9.973 -8.659 -6.875 1.00 0.00 H new ATOM 541 N PHE A 36 -5.100 -5.203 -4.969 1.00 0.00 N ATOM 542 CA PHE A 36 -5.210 -3.775 -4.540 1.00 0.00 C ATOM 543 C PHE A 36 -6.401 -3.119 -5.252 1.00 0.00 C ATOM 544 O PHE A 36 -6.501 -3.164 -6.462 1.00 0.00 O ATOM 545 CB PHE A 36 -3.884 -3.147 -4.992 1.00 0.00 C ATOM 546 CG PHE A 36 -3.820 -1.682 -4.610 1.00 0.00 C ATOM 547 CD1 PHE A 36 -4.633 -0.750 -5.266 1.00 0.00 C ATOM 548 CD2 PHE A 36 -2.935 -1.255 -3.613 1.00 0.00 C ATOM 549 CE1 PHE A 36 -4.566 0.603 -4.926 1.00 0.00 C ATOM 550 CE2 PHE A 36 -2.866 0.102 -3.275 1.00 0.00 C ATOM 551 CZ PHE A 36 -3.682 1.029 -3.932 1.00 0.00 C ATOM 0 H PHE A 36 -5.106 -5.348 -5.979 1.00 0.00 H new ATOM 0 HA PHE A 36 -5.375 -3.653 -3.469 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.050 -3.682 -4.537 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.778 -3.250 -6.072 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -5.314 -1.078 -6.037 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.306 -1.971 -3.105 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.197 1.319 -5.431 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.183 0.433 -2.507 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.628 2.075 -3.670 1.00 0.00 H new ATOM 561 N THR A 37 -7.307 -2.513 -4.520 1.00 0.00 N ATOM 562 CA THR A 37 -8.480 -1.861 -5.191 1.00 0.00 C ATOM 563 C THR A 37 -9.032 -0.705 -4.348 1.00 0.00 C ATOM 564 O THR A 37 -8.649 -0.503 -3.209 1.00 0.00 O ATOM 565 CB THR A 37 -9.556 -2.948 -5.356 1.00 0.00 C ATOM 566 OG1 THR A 37 -8.964 -4.243 -5.360 1.00 0.00 O ATOM 567 CG2 THR A 37 -10.299 -2.726 -6.677 1.00 0.00 C ATOM 0 H THR A 37 -7.288 -2.441 -3.503 1.00 0.00 H new ATOM 0 HA THR A 37 -8.180 -1.443 -6.152 1.00 0.00 H new ATOM 0 HB THR A 37 -10.252 -2.884 -4.519 1.00 0.00 H new ATOM 0 HG1 THR A 37 -9.663 -4.922 -5.464 1.00 0.00 H new ATOM 0 HG21 THR A 37 -11.063 -3.494 -6.798 1.00 0.00 H new ATOM 0 HG22 THR A 37 -10.771 -1.743 -6.668 1.00 0.00 H new ATOM 0 HG23 THR A 37 -9.593 -2.782 -7.505 1.00 0.00 H new ATOM 575 N VAL A 38 -9.944 0.044 -4.915 1.00 0.00 N ATOM 576 CA VAL A 38 -10.563 1.194 -4.188 1.00 0.00 C ATOM 577 C VAL A 38 -12.096 1.097 -4.260 1.00 0.00 C ATOM 578 O VAL A 38 -12.649 0.603 -5.227 1.00 0.00 O ATOM 579 CB VAL A 38 -10.050 2.451 -4.912 1.00 0.00 C ATOM 580 CG1 VAL A 38 -10.614 2.510 -6.337 1.00 0.00 C ATOM 581 CG2 VAL A 38 -10.489 3.700 -4.142 1.00 0.00 C ATOM 0 H VAL A 38 -10.291 -0.095 -5.864 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.300 1.210 -3.130 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.962 2.410 -4.961 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -10.243 3.404 -6.838 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -10.297 1.626 -6.891 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -11.703 2.542 -6.296 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -10.125 4.590 -4.655 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -11.577 3.731 -4.089 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -10.077 3.669 -3.133 1.00 0.00 H new ATOM 591 N LYS A 39 -12.786 1.564 -3.248 1.00 0.00 N ATOM 592 CA LYS A 39 -14.280 1.497 -3.259 1.00 0.00 C ATOM 593 C LYS A 39 -14.869 2.549 -2.308 1.00 0.00 C ATOM 594 O LYS A 39 -14.640 2.498 -1.112 1.00 0.00 O ATOM 595 CB LYS A 39 -14.619 0.084 -2.777 1.00 0.00 C ATOM 596 CG LYS A 39 -16.099 -0.204 -3.035 1.00 0.00 C ATOM 597 CD LYS A 39 -16.288 -1.696 -3.319 1.00 0.00 C ATOM 598 CE LYS A 39 -17.736 -1.958 -3.746 1.00 0.00 C ATOM 599 NZ LYS A 39 -17.737 -3.343 -4.298 1.00 0.00 N ATOM 0 H LYS A 39 -12.379 1.989 -2.415 1.00 0.00 H new ATOM 0 HA LYS A 39 -14.693 1.700 -4.247 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -14.000 -0.647 -3.297 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -14.399 -0.011 -1.714 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -16.694 0.090 -2.170 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -16.453 0.386 -3.881 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -15.603 -2.017 -4.104 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -16.049 -2.279 -2.430 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -18.418 -1.871 -2.900 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -18.063 -1.236 -4.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -18.697 -3.591 -4.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -17.085 -3.395 -5.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -17.429 -4.010 -3.562 1.00 0.00 H new ATOM 613 N PRO A 40 -15.616 3.472 -2.871 1.00 0.00 N ATOM 614 CA PRO A 40 -16.244 4.542 -2.058 1.00 0.00 C ATOM 615 C PRO A 40 -17.462 4.006 -1.296 1.00 0.00 C ATOM 616 O PRO A 40 -18.100 3.057 -1.713 1.00 0.00 O ATOM 617 CB PRO A 40 -16.677 5.575 -3.093 1.00 0.00 C ATOM 618 CG PRO A 40 -16.850 4.806 -4.366 1.00 0.00 C ATOM 619 CD PRO A 40 -15.935 3.608 -4.300 1.00 0.00 C ATOM 0 HA PRO A 40 -15.568 4.948 -1.305 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -17.606 6.063 -2.798 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -15.928 6.359 -3.205 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -17.887 4.491 -4.486 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -16.605 5.429 -5.226 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -16.423 2.713 -4.685 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -15.035 3.762 -4.896 1.00 0.00 H new ATOM 627 N TYR A 41 -17.794 4.622 -0.191 1.00 0.00 N ATOM 628 CA TYR A 41 -18.974 4.175 0.603 1.00 0.00 C ATOM 629 C TYR A 41 -19.882 5.371 0.882 1.00 0.00 C ATOM 630 O TYR A 41 -19.715 6.439 0.321 1.00 0.00 O ATOM 631 CB TYR A 41 -18.412 3.620 1.917 1.00 0.00 C ATOM 632 CG TYR A 41 -17.499 2.443 1.650 1.00 0.00 C ATOM 633 CD1 TYR A 41 -17.942 1.370 0.863 1.00 0.00 C ATOM 634 CD2 TYR A 41 -16.212 2.422 2.198 1.00 0.00 C ATOM 635 CE1 TYR A 41 -17.096 0.280 0.626 1.00 0.00 C ATOM 636 CE2 TYR A 41 -15.367 1.332 1.958 1.00 0.00 C ATOM 637 CZ TYR A 41 -15.807 0.261 1.174 1.00 0.00 C ATOM 638 OH TYR A 41 -14.971 -0.812 0.940 1.00 0.00 O ATOM 0 H TYR A 41 -17.293 5.422 0.197 1.00 0.00 H new ATOM 0 HA TYR A 41 -19.561 3.424 0.075 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -17.863 4.401 2.443 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -19.230 3.312 2.568 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -18.936 1.385 0.440 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -15.870 3.247 2.806 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -17.437 -0.547 0.020 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -14.373 1.318 2.379 1.00 0.00 H new ATOM 0 HH TYR A 41 -14.114 -0.664 1.392 1.00 0.00 H new ATOM 648 N LEU A 42 -20.839 5.197 1.748 1.00 0.00 N ATOM 649 CA LEU A 42 -21.766 6.318 2.074 1.00 0.00 C ATOM 650 C LEU A 42 -22.064 6.359 3.576 1.00 0.00 C ATOM 651 O LEU A 42 -22.110 5.343 4.244 1.00 0.00 O ATOM 652 CB LEU A 42 -23.041 6.031 1.279 1.00 0.00 C ATOM 653 CG LEU A 42 -23.714 7.354 0.900 1.00 0.00 C ATOM 654 CD1 LEU A 42 -24.088 7.334 -0.583 1.00 0.00 C ATOM 655 CD2 LEU A 42 -24.979 7.543 1.742 1.00 0.00 C ATOM 0 H LEU A 42 -21.021 4.326 2.246 1.00 0.00 H new ATOM 0 HA LEU A 42 -21.335 7.286 1.817 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -22.802 5.462 0.381 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -23.722 5.420 1.872 1.00 0.00 H new ATOM 0 HG LEU A 42 -23.024 8.177 1.088 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -24.567 8.276 -0.850 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -23.188 7.201 -1.183 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -24.776 6.511 -0.774 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -25.458 8.484 1.473 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -25.667 6.719 1.555 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -24.713 7.561 2.799 1.00 0.00 H new ATOM 667 N LYS A 43 -22.274 7.537 4.098 1.00 0.00 N ATOM 668 CA LYS A 43 -22.579 7.693 5.548 1.00 0.00 C ATOM 669 C LYS A 43 -23.986 8.276 5.715 1.00 0.00 C ATOM 670 O LYS A 43 -24.651 8.581 4.744 1.00 0.00 O ATOM 671 CB LYS A 43 -21.518 8.668 6.071 1.00 0.00 C ATOM 672 CG LYS A 43 -21.202 8.356 7.537 1.00 0.00 C ATOM 673 CD LYS A 43 -19.722 8.639 7.818 1.00 0.00 C ATOM 674 CE LYS A 43 -19.600 9.668 8.950 1.00 0.00 C ATOM 675 NZ LYS A 43 -19.269 10.961 8.280 1.00 0.00 N ATOM 0 H LYS A 43 -22.247 8.411 3.572 1.00 0.00 H new ATOM 0 HA LYS A 43 -22.557 6.748 6.090 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -20.612 8.590 5.470 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -21.876 9.693 5.977 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -21.829 8.962 8.191 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -21.430 7.313 7.754 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -19.211 7.717 8.095 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -19.236 9.015 6.918 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -20.530 9.745 9.513 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -18.822 9.382 9.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -18.957 11.651 8.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -18.507 10.809 7.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -20.112 11.325 7.792 1.00 0.00 H new ATOM 689 N ARG A 44 -24.435 8.424 6.942 1.00 0.00 N ATOM 690 CA ARG A 44 -25.806 8.980 7.213 1.00 0.00 C ATOM 691 C ARG A 44 -26.157 10.115 6.238 1.00 0.00 C ATOM 692 O ARG A 44 -27.268 10.194 5.748 1.00 0.00 O ATOM 693 CB ARG A 44 -25.745 9.510 8.650 1.00 0.00 C ATOM 694 CG ARG A 44 -26.628 8.642 9.553 1.00 0.00 C ATOM 695 CD ARG A 44 -25.988 8.525 10.940 1.00 0.00 C ATOM 696 NE ARG A 44 -26.270 7.127 11.378 1.00 0.00 N ATOM 697 CZ ARG A 44 -25.290 6.271 11.504 1.00 0.00 C ATOM 698 NH1 ARG A 44 -24.687 5.809 10.440 1.00 0.00 N ATOM 699 NH2 ARG A 44 -24.917 5.880 12.694 1.00 0.00 N ATOM 0 H ARG A 44 -23.904 8.180 7.778 1.00 0.00 H new ATOM 0 HA ARG A 44 -26.576 8.219 7.082 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -24.716 9.498 9.010 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -26.082 10.546 8.681 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -27.622 9.081 9.636 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -26.752 7.652 9.114 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -24.916 8.717 10.897 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -26.414 9.250 11.634 1.00 0.00 H new ATOM 0 HE ARG A 44 -27.228 6.839 11.579 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -24.981 6.116 9.513 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -23.922 5.141 10.537 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -25.390 6.243 13.522 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -24.153 5.212 12.795 1.00 0.00 H new ATOM 713 N PHE A 45 -25.221 10.983 5.952 1.00 0.00 N ATOM 714 CA PHE A 45 -25.497 12.105 5.003 1.00 0.00 C ATOM 715 C PHE A 45 -24.197 12.602 4.348 1.00 0.00 C ATOM 716 O PHE A 45 -24.045 13.778 4.080 1.00 0.00 O ATOM 717 CB PHE A 45 -26.122 13.207 5.868 1.00 0.00 C ATOM 718 CG PHE A 45 -27.449 13.624 5.280 1.00 0.00 C ATOM 719 CD1 PHE A 45 -27.486 14.433 4.137 1.00 0.00 C ATOM 720 CD2 PHE A 45 -28.643 13.202 5.876 1.00 0.00 C ATOM 721 CE1 PHE A 45 -28.716 14.818 3.592 1.00 0.00 C ATOM 722 CE2 PHE A 45 -29.873 13.588 5.332 1.00 0.00 C ATOM 723 CZ PHE A 45 -29.910 14.396 4.189 1.00 0.00 C ATOM 0 H PHE A 45 -24.276 10.964 6.335 1.00 0.00 H new ATOM 0 HA PHE A 45 -26.153 11.798 4.188 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -26.262 12.847 6.887 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -25.451 14.065 5.922 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -26.565 14.760 3.676 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -28.615 12.578 6.757 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -28.744 15.441 2.710 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -30.794 13.263 5.794 1.00 0.00 H new ATOM 0 HZ PHE A 45 -30.859 14.694 3.768 1.00 0.00 H new ATOM 733 N GLN A 46 -23.260 11.718 4.081 1.00 0.00 N ATOM 734 CA GLN A 46 -21.977 12.158 3.444 1.00 0.00 C ATOM 735 C GLN A 46 -21.290 10.984 2.732 1.00 0.00 C ATOM 736 O GLN A 46 -21.280 9.874 3.223 1.00 0.00 O ATOM 737 CB GLN A 46 -21.108 12.656 4.605 1.00 0.00 C ATOM 738 CG GLN A 46 -21.031 14.188 4.578 1.00 0.00 C ATOM 739 CD GLN A 46 -21.830 14.772 5.750 1.00 0.00 C ATOM 740 OE1 GLN A 46 -21.731 14.300 6.867 1.00 0.00 O ATOM 741 NE2 GLN A 46 -22.624 15.788 5.543 1.00 0.00 N ATOM 0 H GLN A 46 -23.329 10.719 4.276 1.00 0.00 H new ATOM 0 HA GLN A 46 -22.143 12.928 2.690 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -21.526 12.321 5.554 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -20.107 12.231 4.530 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -19.991 14.510 4.639 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -21.426 14.564 3.634 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -22.709 16.186 4.608 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -23.159 16.183 6.316 1.00 0.00 H new ATOM 750 N VAL A 47 -20.706 11.228 1.585 1.00 0.00 N ATOM 751 CA VAL A 47 -20.008 10.133 0.841 1.00 0.00 C ATOM 752 C VAL A 47 -18.506 10.179 1.143 1.00 0.00 C ATOM 753 O VAL A 47 -17.945 11.233 1.379 1.00 0.00 O ATOM 754 CB VAL A 47 -20.275 10.420 -0.644 1.00 0.00 C ATOM 755 CG1 VAL A 47 -19.586 9.359 -1.508 1.00 0.00 C ATOM 756 CG2 VAL A 47 -21.783 10.386 -0.912 1.00 0.00 C ATOM 0 H VAL A 47 -20.682 12.141 1.130 1.00 0.00 H new ATOM 0 HA VAL A 47 -20.363 9.142 1.126 1.00 0.00 H new ATOM 0 HB VAL A 47 -19.881 11.405 -0.893 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -19.778 9.566 -2.561 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -18.512 9.381 -1.324 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -19.977 8.374 -1.255 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -21.970 10.590 -1.966 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -22.176 9.401 -0.658 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -22.278 11.142 -0.303 1.00 0.00 H new ATOM 766 N TYR A 48 -17.854 9.042 1.147 1.00 0.00 N ATOM 767 CA TYR A 48 -16.389 9.017 1.443 1.00 0.00 C ATOM 768 C TYR A 48 -15.670 8.005 0.547 1.00 0.00 C ATOM 769 O TYR A 48 -16.243 7.015 0.129 1.00 0.00 O ATOM 770 CB TYR A 48 -16.288 8.594 2.911 1.00 0.00 C ATOM 771 CG TYR A 48 -16.402 9.812 3.797 1.00 0.00 C ATOM 772 CD1 TYR A 48 -15.299 10.656 3.971 1.00 0.00 C ATOM 773 CD2 TYR A 48 -17.611 10.095 4.442 1.00 0.00 C ATOM 774 CE1 TYR A 48 -15.407 11.785 4.790 1.00 0.00 C ATOM 775 CE2 TYR A 48 -17.718 11.225 5.260 1.00 0.00 C ATOM 776 CZ TYR A 48 -16.617 12.069 5.435 1.00 0.00 C ATOM 777 OH TYR A 48 -16.727 13.181 6.244 1.00 0.00 O ATOM 0 H TYR A 48 -18.273 8.131 0.958 1.00 0.00 H new ATOM 0 HA TYR A 48 -15.922 9.984 1.259 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -17.078 7.882 3.150 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -15.339 8.089 3.090 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -14.366 10.436 3.474 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -18.461 9.442 4.309 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -14.557 12.438 4.925 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -18.651 11.445 5.756 1.00 0.00 H new ATOM 0 HH TYR A 48 -17.634 13.229 6.612 1.00 0.00 H new ATOM 787 N TYR A 49 -14.414 8.241 0.257 1.00 0.00 N ATOM 788 CA TYR A 49 -13.649 7.289 -0.603 1.00 0.00 C ATOM 789 C TYR A 49 -12.768 6.389 0.268 1.00 0.00 C ATOM 790 O TYR A 49 -12.038 6.857 1.122 1.00 0.00 O ATOM 791 CB TYR A 49 -12.788 8.164 -1.517 1.00 0.00 C ATOM 792 CG TYR A 49 -13.281 8.039 -2.940 1.00 0.00 C ATOM 793 CD1 TYR A 49 -14.460 8.687 -3.330 1.00 0.00 C ATOM 794 CD2 TYR A 49 -12.563 7.274 -3.867 1.00 0.00 C ATOM 795 CE1 TYR A 49 -14.920 8.570 -4.646 1.00 0.00 C ATOM 796 CE2 TYR A 49 -13.023 7.157 -5.184 1.00 0.00 C ATOM 797 CZ TYR A 49 -14.203 7.805 -5.574 1.00 0.00 C ATOM 798 OH TYR A 49 -14.657 7.691 -6.871 1.00 0.00 O ATOM 0 H TYR A 49 -13.886 9.052 0.579 1.00 0.00 H new ATOM 0 HA TYR A 49 -14.306 6.636 -1.178 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -12.836 9.204 -1.194 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -11.744 7.858 -1.454 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -15.014 9.277 -2.615 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -11.654 6.774 -3.566 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -15.829 9.070 -4.946 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -12.469 6.568 -5.899 1.00 0.00 H new ATOM 0 HH TYR A 49 -13.896 7.716 -7.488 1.00 0.00 H new ATOM 808 N LYS A 50 -12.832 5.101 0.058 1.00 0.00 N ATOM 809 CA LYS A 50 -12.003 4.160 0.869 1.00 0.00 C ATOM 810 C LYS A 50 -11.269 3.182 -0.049 1.00 0.00 C ATOM 811 O LYS A 50 -11.595 3.049 -1.212 1.00 0.00 O ATOM 812 CB LYS A 50 -13.003 3.419 1.759 1.00 0.00 C ATOM 813 CG LYS A 50 -12.274 2.772 2.940 1.00 0.00 C ATOM 814 CD LYS A 50 -13.109 2.942 4.213 1.00 0.00 C ATOM 815 CE LYS A 50 -12.583 1.999 5.301 1.00 0.00 C ATOM 816 NZ LYS A 50 -11.746 2.847 6.201 1.00 0.00 N ATOM 0 H LYS A 50 -13.425 4.658 -0.643 1.00 0.00 H new ATOM 0 HA LYS A 50 -11.242 4.676 1.455 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -13.761 4.112 2.124 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -13.522 2.656 1.179 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -12.106 1.713 2.741 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -11.294 3.231 3.071 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -13.060 3.975 4.558 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -14.157 2.725 4.005 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -13.404 1.538 5.850 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -11.995 1.190 4.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -10.887 2.326 6.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -11.479 3.721 5.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -12.288 3.086 7.056 1.00 0.00 H new ATOM 830 N GLY A 51 -10.280 2.501 0.459 1.00 0.00 N ATOM 831 CA GLY A 51 -9.527 1.534 -0.388 1.00 0.00 C ATOM 832 C GLY A 51 -8.874 0.473 0.494 1.00 0.00 C ATOM 833 O GLY A 51 -8.554 0.719 1.640 1.00 0.00 O ATOM 0 H GLY A 51 -9.960 2.572 1.425 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.201 1.061 -1.103 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.766 2.058 -0.966 1.00 0.00 H new ATOM 837 N ARG A 52 -8.667 -0.706 -0.034 1.00 0.00 N ATOM 838 CA ARG A 52 -8.027 -1.787 0.771 1.00 0.00 C ATOM 839 C ARG A 52 -7.183 -2.690 -0.134 1.00 0.00 C ATOM 840 O ARG A 52 -7.621 -3.100 -1.195 1.00 0.00 O ATOM 841 CB ARG A 52 -9.192 -2.572 1.382 1.00 0.00 C ATOM 842 CG ARG A 52 -8.659 -3.543 2.442 1.00 0.00 C ATOM 843 CD ARG A 52 -9.400 -3.319 3.764 1.00 0.00 C ATOM 844 NE ARG A 52 -10.450 -4.378 3.807 1.00 0.00 N ATOM 845 CZ ARG A 52 -11.701 -4.054 4.008 1.00 0.00 C ATOM 846 NH1 ARG A 52 -12.025 -3.285 5.013 1.00 0.00 N ATOM 847 NH2 ARG A 52 -12.627 -4.498 3.198 1.00 0.00 N ATOM 0 H ARG A 52 -8.914 -0.966 -0.989 1.00 0.00 H new ATOM 0 HA ARG A 52 -7.359 -1.392 1.536 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -9.910 -1.886 1.831 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -9.721 -3.122 0.604 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -8.794 -4.572 2.108 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -7.589 -3.391 2.583 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -8.723 -3.401 4.614 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -9.842 -2.324 3.804 1.00 0.00 H new ATOM 0 HE ARG A 52 -10.192 -5.356 3.679 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -11.302 -2.936 5.642 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -13.001 -3.033 5.168 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -12.373 -5.096 2.412 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -13.603 -4.247 3.353 1.00 0.00 H new ATOM 861 N MET A 53 -5.981 -3.005 0.277 1.00 0.00 N ATOM 862 CA MET A 53 -5.109 -3.883 -0.557 1.00 0.00 C ATOM 863 C MET A 53 -4.356 -4.895 0.319 1.00 0.00 C ATOM 864 O MET A 53 -4.183 -4.699 1.510 1.00 0.00 O ATOM 865 CB MET A 53 -4.133 -2.934 -1.266 1.00 0.00 C ATOM 866 CG MET A 53 -2.989 -2.536 -0.326 1.00 0.00 C ATOM 867 SD MET A 53 -1.643 -3.738 -0.482 1.00 0.00 S ATOM 868 CE MET A 53 -0.479 -2.677 -1.369 1.00 0.00 C ATOM 0 H MET A 53 -5.567 -2.691 1.155 1.00 0.00 H new ATOM 0 HA MET A 53 -5.688 -4.469 -1.271 1.00 0.00 H new ATOM 0 HB2 MET A 53 -3.729 -3.417 -2.155 1.00 0.00 H new ATOM 0 HB3 MET A 53 -4.663 -2.042 -1.601 1.00 0.00 H new ATOM 0 HG2 MET A 53 -2.630 -1.537 -0.573 1.00 0.00 H new ATOM 0 HG3 MET A 53 -3.344 -2.502 0.704 1.00 0.00 H new ATOM 0 HE1 MET A 53 -0.105 -3.202 -2.248 1.00 0.00 H new ATOM 0 HE2 MET A 53 -0.985 -1.763 -1.681 1.00 0.00 H new ATOM 0 HE3 MET A 53 0.355 -2.425 -0.714 1.00 0.00 H new ATOM 878 N TRP A 54 -3.908 -5.971 -0.274 1.00 0.00 N ATOM 879 CA TRP A 54 -3.156 -7.016 0.493 1.00 0.00 C ATOM 880 C TRP A 54 -2.514 -8.014 -0.474 1.00 0.00 C ATOM 881 O TRP A 54 -2.482 -7.792 -1.669 1.00 0.00 O ATOM 882 CB TRP A 54 -4.199 -7.711 1.384 1.00 0.00 C ATOM 883 CG TRP A 54 -5.272 -8.332 0.538 1.00 0.00 C ATOM 884 CD1 TRP A 54 -5.207 -9.562 -0.024 1.00 0.00 C ATOM 885 CD2 TRP A 54 -6.562 -7.773 0.154 1.00 0.00 C ATOM 886 NE1 TRP A 54 -6.376 -9.793 -0.728 1.00 0.00 N ATOM 887 CE2 TRP A 54 -7.242 -8.720 -0.647 1.00 0.00 C ATOM 888 CE3 TRP A 54 -7.201 -6.550 0.422 1.00 0.00 C ATOM 889 CZ2 TRP A 54 -8.511 -8.461 -1.166 1.00 0.00 C ATOM 890 CZ3 TRP A 54 -8.477 -6.285 -0.097 1.00 0.00 C ATOM 891 CH2 TRP A 54 -9.131 -7.240 -0.890 1.00 0.00 C ATOM 0 H TRP A 54 -4.031 -6.175 -1.266 1.00 0.00 H new ATOM 0 HA TRP A 54 -2.352 -6.586 1.090 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -3.717 -8.476 1.992 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -4.640 -6.989 2.071 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -4.379 -10.250 0.063 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -6.574 -10.651 -1.244 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -6.706 -5.809 1.032 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -9.010 -9.199 -1.776 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -8.958 -5.342 0.115 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -10.113 -7.031 -1.287 1.00 0.00 H new ATOM 902 N CYS A 55 -2.003 -9.113 0.028 1.00 0.00 N ATOM 903 CA CYS A 55 -1.368 -10.118 -0.876 1.00 0.00 C ATOM 904 C CYS A 55 -1.859 -11.535 -0.543 1.00 0.00 C ATOM 905 O CYS A 55 -1.311 -12.191 0.323 1.00 0.00 O ATOM 906 CB CYS A 55 0.135 -9.995 -0.625 1.00 0.00 C ATOM 907 SG CYS A 55 0.749 -8.450 -1.341 1.00 0.00 S ATOM 0 H CYS A 55 -1.999 -9.355 1.019 1.00 0.00 H new ATOM 0 HA CYS A 55 -1.621 -9.939 -1.921 1.00 0.00 H new ATOM 0 HB2 CYS A 55 0.338 -10.017 0.446 1.00 0.00 H new ATOM 0 HB3 CYS A 55 0.658 -10.844 -1.065 1.00 0.00 H new ATOM 912 N PRO A 56 -2.878 -11.963 -1.255 1.00 0.00 N ATOM 913 CA PRO A 56 -3.441 -13.322 -1.042 1.00 0.00 C ATOM 914 C PRO A 56 -2.508 -14.384 -1.646 1.00 0.00 C ATOM 915 O PRO A 56 -2.721 -14.868 -2.743 1.00 0.00 O ATOM 916 CB PRO A 56 -4.778 -13.275 -1.781 1.00 0.00 C ATOM 917 CG PRO A 56 -4.613 -12.215 -2.824 1.00 0.00 C ATOM 918 CD PRO A 56 -3.596 -11.231 -2.308 1.00 0.00 C ATOM 0 HA PRO A 56 -3.555 -13.584 0.010 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -5.012 -14.239 -2.233 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -5.595 -13.035 -1.101 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -4.281 -12.652 -3.766 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -5.563 -11.718 -3.020 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -2.919 -10.908 -3.099 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.075 -10.335 -1.913 1.00 0.00 H new ATOM 926 N GLY A 57 -1.470 -14.738 -0.932 1.00 0.00 N ATOM 927 CA GLY A 57 -0.503 -15.755 -1.443 1.00 0.00 C ATOM 928 C GLY A 57 0.882 -15.480 -0.846 1.00 0.00 C ATOM 929 O GLY A 57 1.559 -16.382 -0.390 1.00 0.00 O ATOM 0 H GLY A 57 -1.250 -14.363 -0.010 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.835 -16.758 -1.174 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.457 -15.716 -2.531 1.00 0.00 H new ATOM 933 N TRP A 58 1.299 -14.236 -0.841 1.00 0.00 N ATOM 934 CA TRP A 58 2.634 -13.885 -0.269 1.00 0.00 C ATOM 935 C TRP A 58 2.608 -14.031 1.257 1.00 0.00 C ATOM 936 O TRP A 58 3.406 -14.744 1.835 1.00 0.00 O ATOM 937 CB TRP A 58 2.864 -12.421 -0.670 1.00 0.00 C ATOM 938 CG TRP A 58 4.234 -11.972 -0.259 1.00 0.00 C ATOM 939 CD1 TRP A 58 5.272 -12.788 0.048 1.00 0.00 C ATOM 940 CD2 TRP A 58 4.730 -10.610 -0.106 1.00 0.00 C ATOM 941 NE1 TRP A 58 6.367 -12.013 0.380 1.00 0.00 N ATOM 942 CE2 TRP A 58 6.083 -10.664 0.301 1.00 0.00 C ATOM 943 CE3 TRP A 58 4.139 -9.345 -0.279 1.00 0.00 C ATOM 944 CZ2 TRP A 58 6.825 -9.504 0.528 1.00 0.00 C ATOM 945 CZ3 TRP A 58 4.884 -8.176 -0.050 1.00 0.00 C ATOM 946 CH2 TRP A 58 6.223 -8.256 0.353 1.00 0.00 C ATOM 0 H TRP A 58 0.768 -13.447 -1.210 1.00 0.00 H new ATOM 0 HA TRP A 58 3.428 -14.536 -0.636 1.00 0.00 H new ATOM 0 HB2 TRP A 58 2.747 -12.311 -1.748 1.00 0.00 H new ATOM 0 HB3 TRP A 58 2.111 -11.787 -0.201 1.00 0.00 H new ATOM 0 HD1 TRP A 58 5.247 -13.868 0.035 1.00 0.00 H new ATOM 0 HE1 TRP A 58 7.275 -12.392 0.651 1.00 0.00 H new ATOM 0 HE3 TRP A 58 3.107 -9.272 -0.589 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 7.858 -9.571 0.837 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 4.421 -7.210 -0.186 1.00 0.00 H new ATOM 0 HH2 TRP A 58 6.789 -7.353 0.528 1.00 0.00 H new ATOM 957 N THR A 59 1.691 -13.360 1.910 1.00 0.00 N ATOM 958 CA THR A 59 1.595 -13.452 3.396 1.00 0.00 C ATOM 959 C THR A 59 0.139 -13.223 3.838 1.00 0.00 C ATOM 960 O THR A 59 -0.773 -13.258 3.033 1.00 0.00 O ATOM 961 CB THR A 59 2.530 -12.349 3.930 1.00 0.00 C ATOM 962 OG1 THR A 59 2.510 -12.353 5.352 1.00 0.00 O ATOM 963 CG2 THR A 59 2.078 -10.978 3.417 1.00 0.00 C ATOM 0 H THR A 59 1.001 -12.749 1.472 1.00 0.00 H new ATOM 0 HA THR A 59 1.886 -14.430 3.779 1.00 0.00 H new ATOM 0 HB THR A 59 3.543 -12.544 3.578 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.092 -13.068 5.685 1.00 0.00 H new ATOM 0 HG21 THR A 59 2.746 -10.207 3.801 1.00 0.00 H new ATOM 0 HG22 THR A 59 2.104 -10.971 2.327 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.062 -10.779 3.757 1.00 0.00 H new ATOM 971 N ALA A 60 -0.082 -12.990 5.104 1.00 0.00 N ATOM 972 CA ALA A 60 -1.473 -12.760 5.601 1.00 0.00 C ATOM 973 C ALA A 60 -1.592 -11.356 6.212 1.00 0.00 C ATOM 974 O ALA A 60 -2.118 -11.178 7.296 1.00 0.00 O ATOM 975 CB ALA A 60 -1.697 -13.839 6.665 1.00 0.00 C ATOM 0 H ALA A 60 0.643 -12.949 5.820 1.00 0.00 H new ATOM 0 HA ALA A 60 -2.214 -12.819 4.804 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.700 -13.738 7.080 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.590 -14.825 6.212 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.961 -13.723 7.461 1.00 0.00 H new ATOM 981 N ILE A 61 -1.107 -10.356 5.517 1.00 0.00 N ATOM 982 CA ILE A 61 -1.184 -8.959 6.041 1.00 0.00 C ATOM 983 C ILE A 61 -1.912 -8.060 5.033 1.00 0.00 C ATOM 984 O ILE A 61 -1.877 -8.298 3.838 1.00 0.00 O ATOM 985 CB ILE A 61 0.281 -8.524 6.215 1.00 0.00 C ATOM 986 CG1 ILE A 61 0.848 -9.150 7.494 1.00 0.00 C ATOM 987 CG2 ILE A 61 0.369 -6.998 6.318 1.00 0.00 C ATOM 988 CD1 ILE A 61 2.375 -9.199 7.410 1.00 0.00 C ATOM 0 H ILE A 61 -0.659 -10.449 4.605 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.738 -8.890 6.977 1.00 0.00 H new ATOM 0 HB ILE A 61 0.856 -8.858 5.351 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.540 -8.568 8.363 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.449 -10.156 7.626 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.411 -6.701 6.441 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.032 -6.548 5.410 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.209 -6.657 7.177 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.775 -9.645 8.321 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.673 -9.800 6.551 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.766 -8.188 7.299 1.00 0.00 H new ATOM 1000 N ARG A 62 -2.574 -7.030 5.504 1.00 0.00 N ATOM 1001 CA ARG A 62 -3.302 -6.117 4.575 1.00 0.00 C ATOM 1002 C ARG A 62 -3.144 -4.654 4.995 1.00 0.00 C ATOM 1003 O ARG A 62 -2.750 -4.348 6.107 1.00 0.00 O ATOM 1004 CB ARG A 62 -4.776 -6.532 4.643 1.00 0.00 C ATOM 1005 CG ARG A 62 -5.250 -6.607 6.101 1.00 0.00 C ATOM 1006 CD ARG A 62 -6.729 -6.210 6.181 1.00 0.00 C ATOM 1007 NE ARG A 62 -7.448 -7.452 6.589 1.00 0.00 N ATOM 1008 CZ ARG A 62 -8.312 -7.417 7.569 1.00 0.00 C ATOM 1009 NH1 ARG A 62 -7.914 -7.631 8.796 1.00 0.00 N ATOM 1010 NH2 ARG A 62 -9.572 -7.169 7.322 1.00 0.00 N ATOM 0 H ARG A 62 -2.640 -6.785 6.492 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.904 -6.196 3.563 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -5.387 -5.816 4.093 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.909 -7.501 4.161 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -5.113 -7.617 6.487 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -4.650 -5.943 6.724 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -6.883 -5.410 6.905 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -7.091 -5.844 5.220 1.00 0.00 H new ATOM 0 HE ARG A 62 -7.265 -8.330 6.102 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -6.931 -7.825 8.987 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -8.587 -7.604 9.562 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -9.881 -7.003 6.364 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -10.246 -7.142 8.087 1.00 0.00 H new ATOM 1024 N GLY A 63 -3.461 -3.756 4.103 1.00 0.00 N ATOM 1025 CA GLY A 63 -3.351 -2.299 4.411 1.00 0.00 C ATOM 1026 C GLY A 63 -4.482 -1.551 3.708 1.00 0.00 C ATOM 1027 O GLY A 63 -4.713 -1.728 2.527 1.00 0.00 O ATOM 0 H GLY A 63 -3.795 -3.971 3.164 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.406 -2.137 5.488 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.385 -1.917 4.080 1.00 0.00 H new ATOM 1031 N GLU A 64 -5.192 -0.721 4.424 1.00 0.00 N ATOM 1032 CA GLU A 64 -6.314 0.035 3.799 1.00 0.00 C ATOM 1033 C GLU A 64 -6.366 1.477 4.320 1.00 0.00 C ATOM 1034 O GLU A 64 -5.679 1.834 5.260 1.00 0.00 O ATOM 1035 CB GLU A 64 -7.577 -0.742 4.188 1.00 0.00 C ATOM 1036 CG GLU A 64 -7.845 -0.620 5.694 1.00 0.00 C ATOM 1037 CD GLU A 64 -9.273 -0.115 5.915 1.00 0.00 C ATOM 1038 OE1 GLU A 64 -10.172 -0.939 5.957 1.00 0.00 O ATOM 1039 OE2 GLU A 64 -9.445 1.088 6.036 1.00 0.00 O ATOM 0 H GLU A 64 -5.043 -0.534 5.416 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.202 0.114 2.718 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -8.432 -0.360 3.629 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.462 -1.792 3.918 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.710 -1.587 6.178 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.130 0.066 6.148 1.00 0.00 H new ATOM 1046 N ALA A 65 -7.178 2.303 3.705 1.00 0.00 N ATOM 1047 CA ALA A 65 -7.284 3.730 4.148 1.00 0.00 C ATOM 1048 C ALA A 65 -8.513 4.405 3.525 1.00 0.00 C ATOM 1049 O ALA A 65 -9.183 3.844 2.678 1.00 0.00 O ATOM 1050 CB ALA A 65 -6.001 4.395 3.645 1.00 0.00 C ATOM 0 H ALA A 65 -7.772 2.051 2.915 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.398 3.812 5.229 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -6.001 5.447 3.930 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -5.137 3.899 4.087 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -5.950 4.313 2.559 1.00 0.00 H new ATOM 1056 N SER A 66 -8.807 5.616 3.938 1.00 0.00 N ATOM 1057 CA SER A 66 -9.987 6.346 3.370 1.00 0.00 C ATOM 1058 C SER A 66 -9.806 7.864 3.502 1.00 0.00 C ATOM 1059 O SER A 66 -9.193 8.351 4.433 1.00 0.00 O ATOM 1060 CB SER A 66 -11.212 5.888 4.176 1.00 0.00 C ATOM 1061 OG SER A 66 -10.814 5.415 5.460 1.00 0.00 O ATOM 0 H SER A 66 -8.281 6.131 4.644 1.00 0.00 H new ATOM 0 HA SER A 66 -10.102 6.127 2.309 1.00 0.00 H new ATOM 0 HB2 SER A 66 -11.912 6.716 4.288 1.00 0.00 H new ATOM 0 HB3 SER A 66 -11.735 5.098 3.637 1.00 0.00 H new ATOM 0 HG SER A 66 -11.579 5.446 6.072 1.00 0.00 H new ATOM 1067 N THR A 67 -10.348 8.610 2.569 1.00 0.00 N ATOM 1068 CA THR A 67 -10.229 10.105 2.616 1.00 0.00 C ATOM 1069 C THR A 67 -11.126 10.741 1.543 1.00 0.00 C ATOM 1070 O THR A 67 -11.650 10.063 0.679 1.00 0.00 O ATOM 1071 CB THR A 67 -8.746 10.407 2.340 1.00 0.00 C ATOM 1072 OG1 THR A 67 -8.507 11.798 2.513 1.00 0.00 O ATOM 1073 CG2 THR A 67 -8.384 10.000 0.908 1.00 0.00 C ATOM 0 H THR A 67 -10.871 8.247 1.772 1.00 0.00 H new ATOM 0 HA THR A 67 -10.547 10.513 3.576 1.00 0.00 H new ATOM 0 HB THR A 67 -8.130 9.839 3.037 1.00 0.00 H new ATOM 0 HG1 THR A 67 -7.562 11.992 2.339 1.00 0.00 H new ATOM 0 HG21 THR A 67 -7.332 10.218 0.723 1.00 0.00 H new ATOM 0 HG22 THR A 67 -8.562 8.933 0.777 1.00 0.00 H new ATOM 0 HG23 THR A 67 -9.000 10.560 0.204 1.00 0.00 H new ATOM 1081 N ARG A 68 -11.305 12.040 1.592 1.00 0.00 N ATOM 1082 CA ARG A 68 -12.167 12.721 0.572 1.00 0.00 C ATOM 1083 C ARG A 68 -11.539 12.609 -0.825 1.00 0.00 C ATOM 1084 O ARG A 68 -12.227 12.433 -1.812 1.00 0.00 O ATOM 1085 CB ARG A 68 -12.263 14.190 1.018 1.00 0.00 C ATOM 1086 CG ARG A 68 -10.876 14.850 1.050 1.00 0.00 C ATOM 1087 CD ARG A 68 -10.640 15.626 -0.251 1.00 0.00 C ATOM 1088 NE ARG A 68 -11.377 16.910 -0.080 1.00 0.00 N ATOM 1089 CZ ARG A 68 -12.358 17.214 -0.890 1.00 0.00 C ATOM 1090 NH1 ARG A 68 -12.101 17.563 -2.123 1.00 0.00 N ATOM 1091 NH2 ARG A 68 -13.593 17.166 -0.463 1.00 0.00 N ATOM 0 H ARG A 68 -10.893 12.657 2.292 1.00 0.00 H new ATOM 0 HA ARG A 68 -13.154 12.263 0.507 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -12.914 14.738 0.337 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -12.718 14.244 2.007 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -10.803 15.523 1.904 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -10.105 14.090 1.176 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -9.577 15.801 -0.418 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -11.010 15.071 -1.113 1.00 0.00 H new ATOM 0 HE ARG A 68 -11.116 17.552 0.669 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -11.136 17.598 -2.453 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -12.865 17.800 -2.756 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -13.789 16.892 0.500 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -14.360 17.403 -1.093 1.00 0.00 H new ATOM 1105 N SER A 69 -10.236 12.707 -0.908 1.00 0.00 N ATOM 1106 CA SER A 69 -9.545 12.602 -2.231 1.00 0.00 C ATOM 1107 C SER A 69 -9.667 11.185 -2.799 1.00 0.00 C ATOM 1108 O SER A 69 -9.975 10.240 -2.096 1.00 0.00 O ATOM 1109 CB SER A 69 -8.080 12.938 -1.953 1.00 0.00 C ATOM 1110 OG SER A 69 -7.346 12.906 -3.172 1.00 0.00 O ATOM 0 H SER A 69 -9.617 12.856 -0.111 1.00 0.00 H new ATOM 0 HA SER A 69 -9.986 13.274 -2.967 1.00 0.00 H new ATOM 0 HB2 SER A 69 -8.003 13.924 -1.495 1.00 0.00 H new ATOM 0 HB3 SER A 69 -7.660 12.224 -1.244 1.00 0.00 H new ATOM 0 HG SER A 69 -6.407 13.123 -2.994 1.00 0.00 H new ATOM 1116 N GLN A 70 -9.418 11.045 -4.072 1.00 0.00 N ATOM 1117 CA GLN A 70 -9.504 9.704 -4.724 1.00 0.00 C ATOM 1118 C GLN A 70 -8.108 9.079 -4.831 1.00 0.00 C ATOM 1119 O GLN A 70 -7.873 7.987 -4.351 1.00 0.00 O ATOM 1120 CB GLN A 70 -10.084 9.968 -6.116 1.00 0.00 C ATOM 1121 CG GLN A 70 -11.593 10.202 -6.010 1.00 0.00 C ATOM 1122 CD GLN A 70 -12.261 9.866 -7.346 1.00 0.00 C ATOM 1123 OE1 GLN A 70 -12.042 8.804 -7.898 1.00 0.00 O ATOM 1124 NE2 GLN A 70 -13.073 10.727 -7.894 1.00 0.00 N ATOM 0 H GLN A 70 -9.156 11.809 -4.696 1.00 0.00 H new ATOM 0 HA GLN A 70 -10.122 9.009 -4.155 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -9.602 10.838 -6.563 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -9.883 9.120 -6.771 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -12.012 9.583 -5.217 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -11.792 11.240 -5.743 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -13.258 11.618 -7.433 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -13.523 10.509 -8.783 1.00 0.00 H new ATOM 1133 N SER A 71 -7.182 9.764 -5.454 1.00 0.00 N ATOM 1134 CA SER A 71 -5.797 9.218 -5.593 1.00 0.00 C ATOM 1135 C SER A 71 -5.109 9.141 -4.223 1.00 0.00 C ATOM 1136 O SER A 71 -4.264 8.296 -3.995 1.00 0.00 O ATOM 1137 CB SER A 71 -5.060 10.206 -6.502 1.00 0.00 C ATOM 1138 OG SER A 71 -5.923 10.618 -7.558 1.00 0.00 O ATOM 0 H SER A 71 -7.326 10.682 -5.874 1.00 0.00 H new ATOM 0 HA SER A 71 -5.800 8.209 -6.005 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.734 11.072 -5.926 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.164 9.740 -6.912 1.00 0.00 H new ATOM 0 HG SER A 71 -5.451 11.251 -8.138 1.00 0.00 H new ATOM 1144 N GLY A 72 -5.462 10.019 -3.311 1.00 0.00 N ATOM 1145 CA GLY A 72 -4.829 10.001 -1.956 1.00 0.00 C ATOM 1146 C GLY A 72 -5.090 8.655 -1.268 1.00 0.00 C ATOM 1147 O GLY A 72 -4.213 8.100 -0.631 1.00 0.00 O ATOM 0 H GLY A 72 -6.163 10.747 -3.449 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.756 10.170 -2.045 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.230 10.812 -1.348 1.00 0.00 H new ATOM 1151 N VAL A 73 -6.286 8.128 -1.390 1.00 0.00 N ATOM 1152 CA VAL A 73 -6.597 6.817 -0.740 1.00 0.00 C ATOM 1153 C VAL A 73 -5.766 5.693 -1.374 1.00 0.00 C ATOM 1154 O VAL A 73 -5.369 4.763 -0.701 1.00 0.00 O ATOM 1155 CB VAL A 73 -8.108 6.595 -0.949 1.00 0.00 C ATOM 1156 CG1 VAL A 73 -8.375 5.841 -2.257 1.00 0.00 C ATOM 1157 CG2 VAL A 73 -8.659 5.776 0.220 1.00 0.00 C ATOM 0 H VAL A 73 -7.057 8.548 -1.910 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.348 6.817 0.321 1.00 0.00 H new ATOM 0 HB VAL A 73 -8.599 7.567 -1.000 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -9.448 5.697 -2.381 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -7.987 6.419 -3.096 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -7.880 4.870 -2.225 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -9.728 5.615 0.079 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -8.149 4.813 0.262 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -8.493 6.316 1.152 1.00 0.00 H new ATOM 1167 N ALA A 74 -5.499 5.778 -2.659 1.00 0.00 N ATOM 1168 CA ALA A 74 -4.691 4.719 -3.339 1.00 0.00 C ATOM 1169 C ALA A 74 -3.249 4.734 -2.822 1.00 0.00 C ATOM 1170 O ALA A 74 -2.646 3.697 -2.616 1.00 0.00 O ATOM 1171 CB ALA A 74 -4.733 5.067 -4.829 1.00 0.00 C ATOM 0 H ALA A 74 -5.808 6.538 -3.265 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.085 3.721 -3.148 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.159 4.330 -5.391 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.767 5.062 -5.175 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -4.303 6.057 -4.984 1.00 0.00 H new ATOM 1177 N GLY A 75 -2.693 5.896 -2.596 1.00 0.00 N ATOM 1178 CA GLY A 75 -1.299 5.958 -2.077 1.00 0.00 C ATOM 1179 C GLY A 75 -1.281 5.465 -0.628 1.00 0.00 C ATOM 1180 O GLY A 75 -0.326 4.857 -0.186 1.00 0.00 O ATOM 0 H GLY A 75 -3.143 6.799 -2.748 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.641 5.343 -2.691 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.923 6.980 -2.131 1.00 0.00 H new ATOM 1184 N LYS A 76 -2.334 5.717 0.110 1.00 0.00 N ATOM 1185 CA LYS A 76 -2.384 5.258 1.527 1.00 0.00 C ATOM 1186 C LYS A 76 -2.597 3.742 1.591 1.00 0.00 C ATOM 1187 O LYS A 76 -2.001 3.071 2.404 1.00 0.00 O ATOM 1188 CB LYS A 76 -3.567 5.998 2.158 1.00 0.00 C ATOM 1189 CG LYS A 76 -3.077 7.303 2.795 1.00 0.00 C ATOM 1190 CD LYS A 76 -2.415 7.001 4.147 1.00 0.00 C ATOM 1191 CE LYS A 76 -3.481 6.974 5.249 1.00 0.00 C ATOM 1192 NZ LYS A 76 -2.844 6.259 6.395 1.00 0.00 N ATOM 0 H LYS A 76 -3.160 6.221 -0.211 1.00 0.00 H new ATOM 0 HA LYS A 76 -1.453 5.468 2.054 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -4.321 6.212 1.400 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -4.042 5.370 2.912 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.366 7.798 2.133 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -3.913 7.988 2.933 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -1.898 6.042 4.104 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -1.664 7.758 4.372 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -3.780 7.983 5.532 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -4.380 6.457 4.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -3.469 6.306 7.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -2.684 5.264 6.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -1.934 6.708 6.622 1.00 0.00 H new ATOM 1206 N THR A 77 -3.429 3.191 0.734 1.00 0.00 N ATOM 1207 CA THR A 77 -3.656 1.712 0.755 1.00 0.00 C ATOM 1208 C THR A 77 -2.324 0.986 0.585 1.00 0.00 C ATOM 1209 O THR A 77 -2.020 0.046 1.295 1.00 0.00 O ATOM 1210 CB THR A 77 -4.582 1.402 -0.431 1.00 0.00 C ATOM 1211 OG1 THR A 77 -4.509 2.432 -1.403 1.00 0.00 O ATOM 1212 CG2 THR A 77 -6.017 1.284 0.055 1.00 0.00 C ATOM 0 H THR A 77 -3.957 3.701 0.026 1.00 0.00 H new ATOM 0 HA THR A 77 -4.098 1.386 1.696 1.00 0.00 H new ATOM 0 HB THR A 77 -4.261 0.462 -0.880 1.00 0.00 H new ATOM 0 HG1 THR A 77 -3.633 2.406 -1.842 1.00 0.00 H new ATOM 0 HG21 THR A 77 -6.670 1.064 -0.789 1.00 0.00 H new ATOM 0 HG22 THR A 77 -6.088 0.480 0.788 1.00 0.00 H new ATOM 0 HG23 THR A 77 -6.323 2.223 0.516 1.00 0.00 H new ATOM 1220 N ALA A 78 -1.527 1.429 -0.349 1.00 0.00 N ATOM 1221 CA ALA A 78 -0.203 0.782 -0.567 1.00 0.00 C ATOM 1222 C ALA A 78 0.743 1.142 0.580 1.00 0.00 C ATOM 1223 O ALA A 78 1.560 0.343 0.994 1.00 0.00 O ATOM 1224 CB ALA A 78 0.313 1.345 -1.893 1.00 0.00 C ATOM 0 H ALA A 78 -1.736 2.211 -0.970 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.273 -0.305 -0.598 1.00 0.00 H new ATOM 0 HB1 ALA A 78 1.287 0.911 -2.118 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.387 1.097 -2.691 1.00 0.00 H new ATOM 0 HB3 ALA A 78 0.407 2.428 -1.816 1.00 0.00 H new ATOM 1230 N LYS A 79 0.634 2.340 1.100 1.00 0.00 N ATOM 1231 CA LYS A 79 1.524 2.749 2.222 1.00 0.00 C ATOM 1232 C LYS A 79 1.116 2.047 3.520 1.00 0.00 C ATOM 1233 O LYS A 79 1.956 1.681 4.320 1.00 0.00 O ATOM 1234 CB LYS A 79 1.357 4.265 2.350 1.00 0.00 C ATOM 1235 CG LYS A 79 2.570 4.857 3.078 1.00 0.00 C ATOM 1236 CD LYS A 79 3.854 4.534 2.301 1.00 0.00 C ATOM 1237 CE LYS A 79 4.579 3.357 2.969 1.00 0.00 C ATOM 1238 NZ LYS A 79 4.854 2.377 1.873 1.00 0.00 N ATOM 0 H LYS A 79 -0.033 3.049 0.794 1.00 0.00 H new ATOM 0 HA LYS A 79 2.562 2.475 2.032 1.00 0.00 H new ATOM 0 HB2 LYS A 79 1.258 4.715 1.362 1.00 0.00 H new ATOM 0 HB3 LYS A 79 0.443 4.495 2.898 1.00 0.00 H new ATOM 0 HG2 LYS A 79 2.455 5.937 3.176 1.00 0.00 H new ATOM 0 HG3 LYS A 79 2.633 4.451 4.087 1.00 0.00 H new ATOM 0 HD2 LYS A 79 3.613 4.286 1.267 1.00 0.00 H new ATOM 0 HD3 LYS A 79 4.505 5.408 2.276 1.00 0.00 H new ATOM 0 HE2 LYS A 79 5.504 3.685 3.442 1.00 0.00 H new ATOM 0 HE3 LYS A 79 3.963 2.909 3.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 5.581 1.702 2.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 3.981 1.862 1.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 5.191 2.884 1.030 1.00 0.00 H new ATOM 1252 N ASP A 80 -0.159 1.853 3.733 1.00 0.00 N ATOM 1253 CA ASP A 80 -0.608 1.171 4.981 1.00 0.00 C ATOM 1254 C ASP A 80 -0.221 -0.311 4.946 1.00 0.00 C ATOM 1255 O ASP A 80 0.122 -0.887 5.961 1.00 0.00 O ATOM 1256 CB ASP A 80 -2.131 1.342 5.020 1.00 0.00 C ATOM 1257 CG ASP A 80 -2.482 2.642 5.751 1.00 0.00 C ATOM 1258 OD1 ASP A 80 -2.514 2.623 6.971 1.00 0.00 O ATOM 1259 OD2 ASP A 80 -2.706 3.638 5.078 1.00 0.00 O ATOM 0 H ASP A 80 -0.906 2.136 3.099 1.00 0.00 H new ATOM 0 HA ASP A 80 -0.140 1.595 5.869 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -2.531 1.363 4.006 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -2.590 0.493 5.526 1.00 0.00 H new ATOM 1264 N PHE A 81 -0.257 -0.931 3.790 1.00 0.00 N ATOM 1265 CA PHE A 81 0.125 -2.371 3.709 1.00 0.00 C ATOM 1266 C PHE A 81 1.639 -2.531 3.908 1.00 0.00 C ATOM 1267 O PHE A 81 2.084 -3.442 4.581 1.00 0.00 O ATOM 1268 CB PHE A 81 -0.295 -2.827 2.307 1.00 0.00 C ATOM 1269 CG PHE A 81 0.274 -4.201 2.027 1.00 0.00 C ATOM 1270 CD1 PHE A 81 -0.254 -5.326 2.671 1.00 0.00 C ATOM 1271 CD2 PHE A 81 1.337 -4.346 1.126 1.00 0.00 C ATOM 1272 CE1 PHE A 81 0.278 -6.594 2.412 1.00 0.00 C ATOM 1273 CE2 PHE A 81 1.868 -5.614 0.868 1.00 0.00 C ATOM 1274 CZ PHE A 81 1.339 -6.738 1.512 1.00 0.00 C ATOM 0 H PHE A 81 -0.533 -0.503 2.906 1.00 0.00 H new ATOM 0 HA PHE A 81 -0.358 -2.968 4.483 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -1.382 -2.851 2.232 1.00 0.00 H new ATOM 0 HB3 PHE A 81 0.061 -2.116 1.561 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -1.072 -5.215 3.368 1.00 0.00 H new ATOM 0 HD2 PHE A 81 1.747 -3.478 0.630 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -0.131 -7.462 2.907 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.686 -5.726 0.172 1.00 0.00 H new ATOM 0 HZ PHE A 81 1.750 -7.717 1.314 1.00 0.00 H new ATOM 1284 N VAL A 82 2.432 -1.653 3.339 1.00 0.00 N ATOM 1285 CA VAL A 82 3.911 -1.771 3.518 1.00 0.00 C ATOM 1286 C VAL A 82 4.282 -1.490 4.980 1.00 0.00 C ATOM 1287 O VAL A 82 5.184 -2.102 5.522 1.00 0.00 O ATOM 1288 CB VAL A 82 4.537 -0.732 2.574 1.00 0.00 C ATOM 1289 CG1 VAL A 82 6.050 -0.666 2.806 1.00 0.00 C ATOM 1290 CG2 VAL A 82 4.271 -1.134 1.120 1.00 0.00 C ATOM 0 H VAL A 82 2.122 -0.869 2.765 1.00 0.00 H new ATOM 0 HA VAL A 82 4.274 -2.772 3.284 1.00 0.00 H new ATOM 0 HB VAL A 82 4.094 0.244 2.774 1.00 0.00 H new ATOM 0 HG11 VAL A 82 6.489 0.072 2.135 1.00 0.00 H new ATOM 0 HG12 VAL A 82 6.248 -0.380 3.839 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.491 -1.643 2.610 1.00 0.00 H new ATOM 0 HG21 VAL A 82 4.715 -0.397 0.452 1.00 0.00 H new ATOM 0 HG22 VAL A 82 4.712 -2.112 0.926 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.196 -1.180 0.946 1.00 0.00 H new ATOM 1300 N ARG A 83 3.580 -0.586 5.626 1.00 0.00 N ATOM 1301 CA ARG A 83 3.884 -0.288 7.058 1.00 0.00 C ATOM 1302 C ARG A 83 3.510 -1.493 7.928 1.00 0.00 C ATOM 1303 O ARG A 83 4.216 -1.836 8.857 1.00 0.00 O ATOM 1304 CB ARG A 83 3.018 0.925 7.416 1.00 0.00 C ATOM 1305 CG ARG A 83 3.597 1.619 8.655 1.00 0.00 C ATOM 1306 CD ARG A 83 3.547 3.139 8.466 1.00 0.00 C ATOM 1307 NE ARG A 83 4.732 3.467 7.620 1.00 0.00 N ATOM 1308 CZ ARG A 83 5.823 3.935 8.167 1.00 0.00 C ATOM 1309 NH1 ARG A 83 5.766 4.983 8.949 1.00 0.00 N ATOM 1310 NH2 ARG A 83 6.973 3.360 7.929 1.00 0.00 N ATOM 0 H ARG A 83 2.814 -0.046 5.223 1.00 0.00 H new ATOM 0 HA ARG A 83 4.942 -0.085 7.222 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.985 1.621 6.578 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.993 0.609 7.609 1.00 0.00 H new ATOM 0 HG2 ARG A 83 3.030 1.334 9.541 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.626 1.297 8.817 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.620 3.445 7.981 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.592 3.657 9.424 1.00 0.00 H new ATOM 0 HE ARG A 83 4.690 3.325 6.611 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.870 5.435 9.132 1.00 0.00 H new ATOM 0 HH12 ARG A 83 6.618 5.348 9.376 1.00 0.00 H new ATOM 0 HH21 ARG A 83 7.019 2.546 7.316 1.00 0.00 H new ATOM 0 HH22 ARG A 83 7.824 3.726 8.356 1.00 0.00 H new ATOM 1324 N LYS A 84 2.412 -2.144 7.623 1.00 0.00 N ATOM 1325 CA LYS A 84 1.999 -3.337 8.424 1.00 0.00 C ATOM 1326 C LYS A 84 3.033 -4.455 8.274 1.00 0.00 C ATOM 1327 O LYS A 84 3.383 -5.115 9.232 1.00 0.00 O ATOM 1328 CB LYS A 84 0.651 -3.773 7.843 1.00 0.00 C ATOM 1329 CG LYS A 84 -0.128 -4.569 8.894 1.00 0.00 C ATOM 1330 CD LYS A 84 -0.741 -3.610 9.923 1.00 0.00 C ATOM 1331 CE LYS A 84 -1.777 -2.704 9.244 1.00 0.00 C ATOM 1332 NZ LYS A 84 -2.943 -3.586 8.947 1.00 0.00 N ATOM 0 H LYS A 84 1.786 -1.900 6.855 1.00 0.00 H new ATOM 0 HA LYS A 84 1.924 -3.109 9.487 1.00 0.00 H new ATOM 0 HB2 LYS A 84 0.077 -2.899 7.535 1.00 0.00 H new ATOM 0 HB3 LYS A 84 0.807 -4.382 6.953 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -0.914 -5.152 8.413 1.00 0.00 H new ATOM 0 HG3 LYS A 84 0.535 -5.277 9.392 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -1.212 -4.177 10.726 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.042 -3.003 10.379 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -2.065 -1.879 9.896 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -1.375 -2.264 8.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -3.824 -3.088 9.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -2.945 -3.830 7.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -2.873 -4.456 9.513 1.00 0.00 H new ATOM 1346 N ALA A 85 3.535 -4.661 7.079 1.00 0.00 N ATOM 1347 CA ALA A 85 4.562 -5.727 6.872 1.00 0.00 C ATOM 1348 C ALA A 85 5.879 -5.311 7.540 1.00 0.00 C ATOM 1349 O ALA A 85 6.602 -6.134 8.068 1.00 0.00 O ATOM 1350 CB ALA A 85 4.736 -5.836 5.356 1.00 0.00 C ATOM 0 H ALA A 85 3.278 -4.138 6.242 1.00 0.00 H new ATOM 0 HA ALA A 85 4.264 -6.681 7.308 1.00 0.00 H new ATOM 0 HB1 ALA A 85 5.478 -6.602 5.129 1.00 0.00 H new ATOM 0 HB2 ALA A 85 3.784 -6.106 4.899 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.071 -4.878 4.958 1.00 0.00 H new ATOM 1356 N PHE A 86 6.180 -4.032 7.532 1.00 0.00 N ATOM 1357 CA PHE A 86 7.437 -3.544 8.180 1.00 0.00 C ATOM 1358 C PHE A 86 7.368 -3.793 9.692 1.00 0.00 C ATOM 1359 O PHE A 86 8.338 -4.193 10.305 1.00 0.00 O ATOM 1360 CB PHE A 86 7.494 -2.036 7.888 1.00 0.00 C ATOM 1361 CG PHE A 86 8.704 -1.717 7.036 1.00 0.00 C ATOM 1362 CD1 PHE A 86 9.994 -1.937 7.535 1.00 0.00 C ATOM 1363 CD2 PHE A 86 8.533 -1.190 5.750 1.00 0.00 C ATOM 1364 CE1 PHE A 86 11.112 -1.632 6.748 1.00 0.00 C ATOM 1365 CE2 PHE A 86 9.650 -0.885 4.963 1.00 0.00 C ATOM 1366 CZ PHE A 86 10.939 -1.106 5.463 1.00 0.00 C ATOM 0 H PHE A 86 5.607 -3.305 7.103 1.00 0.00 H new ATOM 0 HA PHE A 86 8.321 -4.057 7.802 1.00 0.00 H new ATOM 0 HB2 PHE A 86 6.585 -1.722 7.375 1.00 0.00 H new ATOM 0 HB3 PHE A 86 7.541 -1.478 8.823 1.00 0.00 H new ATOM 0 HD1 PHE A 86 10.127 -2.342 8.527 1.00 0.00 H new ATOM 0 HD2 PHE A 86 7.539 -1.019 5.365 1.00 0.00 H new ATOM 0 HE1 PHE A 86 12.107 -1.803 7.133 1.00 0.00 H new ATOM 0 HE2 PHE A 86 9.517 -0.479 3.971 1.00 0.00 H new ATOM 0 HZ PHE A 86 11.801 -0.870 4.856 1.00 0.00 H new ATOM 1376 N GLN A 87 6.221 -3.563 10.293 1.00 0.00 N ATOM 1377 CA GLN A 87 6.080 -3.792 11.764 1.00 0.00 C ATOM 1378 C GLN A 87 6.208 -5.290 12.087 1.00 0.00 C ATOM 1379 O GLN A 87 6.796 -5.667 13.082 1.00 0.00 O ATOM 1380 CB GLN A 87 4.678 -3.283 12.116 1.00 0.00 C ATOM 1381 CG GLN A 87 4.674 -2.723 13.542 1.00 0.00 C ATOM 1382 CD GLN A 87 4.548 -3.872 14.546 1.00 0.00 C ATOM 1383 OE1 GLN A 87 3.594 -4.626 14.508 1.00 0.00 O ATOM 1384 NE2 GLN A 87 5.474 -4.039 15.449 1.00 0.00 N ATOM 0 H GLN A 87 5.379 -3.227 9.826 1.00 0.00 H new ATOM 0 HA GLN A 87 6.854 -3.279 12.335 1.00 0.00 H new ATOM 0 HB2 GLN A 87 4.374 -2.510 11.411 1.00 0.00 H new ATOM 0 HB3 GLN A 87 3.955 -4.094 12.032 1.00 0.00 H new ATOM 0 HG2 GLN A 87 5.592 -2.165 13.727 1.00 0.00 H new ATOM 0 HG3 GLN A 87 3.846 -2.025 13.667 1.00 0.00 H new ATOM 0 HE21 GLN A 87 6.274 -3.407 15.482 1.00 0.00 H new ATOM 0 HE22 GLN A 87 5.398 -4.801 16.123 1.00 0.00 H new ATOM 1393 N LYS A 88 5.664 -6.143 11.250 1.00 0.00 N ATOM 1394 CA LYS A 88 5.757 -7.615 11.507 1.00 0.00 C ATOM 1395 C LYS A 88 7.179 -8.119 11.223 1.00 0.00 C ATOM 1396 O LYS A 88 7.778 -8.795 12.037 1.00 0.00 O ATOM 1397 CB LYS A 88 4.751 -8.259 10.545 1.00 0.00 C ATOM 1398 CG LYS A 88 3.823 -9.195 11.325 1.00 0.00 C ATOM 1399 CD LYS A 88 2.785 -8.371 12.093 1.00 0.00 C ATOM 1400 CE LYS A 88 2.557 -8.993 13.476 1.00 0.00 C ATOM 1401 NZ LYS A 88 1.182 -8.573 13.876 1.00 0.00 N ATOM 0 H LYS A 88 5.161 -5.883 10.402 1.00 0.00 H new ATOM 0 HA LYS A 88 5.537 -7.863 12.545 1.00 0.00 H new ATOM 0 HB2 LYS A 88 4.168 -7.488 10.042 1.00 0.00 H new ATOM 0 HB3 LYS A 88 5.278 -8.816 9.770 1.00 0.00 H new ATOM 0 HG2 LYS A 88 3.323 -9.880 10.641 1.00 0.00 H new ATOM 0 HG3 LYS A 88 4.404 -9.804 12.018 1.00 0.00 H new ATOM 0 HD2 LYS A 88 3.128 -7.342 12.198 1.00 0.00 H new ATOM 0 HD3 LYS A 88 1.847 -8.340 11.538 1.00 0.00 H new ATOM 0 HE2 LYS A 88 2.641 -10.079 13.437 1.00 0.00 H new ATOM 0 HE3 LYS A 88 3.299 -8.641 14.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 0.959 -8.963 14.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 1.133 -7.535 13.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 0.495 -8.928 13.181 1.00 0.00 H new ATOM 1415 N GLY A 89 7.718 -7.793 10.074 1.00 0.00 N ATOM 1416 CA GLY A 89 9.093 -8.244 9.726 1.00 0.00 C ATOM 1417 C GLY A 89 9.079 -8.928 8.358 1.00 0.00 C ATOM 1418 O GLY A 89 9.536 -10.045 8.211 1.00 0.00 O ATOM 0 H GLY A 89 7.257 -7.229 9.360 1.00 0.00 H new ATOM 0 HA2 GLY A 89 9.773 -7.392 9.711 1.00 0.00 H new ATOM 0 HA3 GLY A 89 9.463 -8.934 10.485 1.00 0.00 H new ATOM 1422 N LEU A 90 8.558 -8.266 7.353 1.00 0.00 N ATOM 1423 CA LEU A 90 8.514 -8.877 5.992 1.00 0.00 C ATOM 1424 C LEU A 90 9.171 -7.948 4.967 1.00 0.00 C ATOM 1425 O LEU A 90 10.038 -8.356 4.219 1.00 0.00 O ATOM 1426 CB LEU A 90 7.026 -9.066 5.680 1.00 0.00 C ATOM 1427 CG LEU A 90 6.545 -10.415 6.228 1.00 0.00 C ATOM 1428 CD1 LEU A 90 5.085 -10.639 5.829 1.00 0.00 C ATOM 1429 CD2 LEU A 90 7.402 -11.547 5.650 1.00 0.00 C ATOM 0 H LEU A 90 8.162 -7.328 7.419 1.00 0.00 H new ATOM 0 HA LEU A 90 9.057 -9.821 5.951 1.00 0.00 H new ATOM 0 HB2 LEU A 90 6.447 -8.256 6.124 1.00 0.00 H new ATOM 0 HB3 LEU A 90 6.863 -9.022 4.603 1.00 0.00 H new ATOM 0 HG LEU A 90 6.634 -10.409 7.314 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.744 -11.598 6.219 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.469 -9.840 6.241 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.001 -10.639 4.742 1.00 0.00 H new ATOM 0 HD21 LEU A 90 7.055 -12.503 6.043 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.317 -11.549 4.563 1.00 0.00 H new ATOM 0 HD23 LEU A 90 8.444 -11.395 5.932 1.00 0.00 H new ATOM 1441 N ILE A 91 8.769 -6.700 4.926 1.00 0.00 N ATOM 1442 CA ILE A 91 9.379 -5.754 3.950 1.00 0.00 C ATOM 1443 C ILE A 91 10.641 -5.131 4.554 1.00 0.00 C ATOM 1444 O ILE A 91 10.574 -4.265 5.404 1.00 0.00 O ATOM 1445 CB ILE A 91 8.309 -4.686 3.680 1.00 0.00 C ATOM 1446 CG1 ILE A 91 7.163 -5.307 2.873 1.00 0.00 C ATOM 1447 CG2 ILE A 91 8.922 -3.532 2.878 1.00 0.00 C ATOM 1448 CD1 ILE A 91 6.024 -4.294 2.730 1.00 0.00 C ATOM 0 H ILE A 91 8.047 -6.300 5.526 1.00 0.00 H new ATOM 0 HA ILE A 91 9.678 -6.248 3.026 1.00 0.00 H new ATOM 0 HB ILE A 91 7.930 -4.308 4.629 1.00 0.00 H new ATOM 0 HG12 ILE A 91 7.520 -5.608 1.888 1.00 0.00 H new ATOM 0 HG13 ILE A 91 6.802 -6.207 3.370 1.00 0.00 H new ATOM 0 HG21 ILE A 91 8.160 -2.776 2.688 1.00 0.00 H new ATOM 0 HG22 ILE A 91 9.740 -3.088 3.446 1.00 0.00 H new ATOM 0 HG23 ILE A 91 9.302 -3.910 1.929 1.00 0.00 H new ATOM 0 HD11 ILE A 91 5.211 -4.739 2.156 1.00 0.00 H new ATOM 0 HD12 ILE A 91 5.659 -4.015 3.718 1.00 0.00 H new ATOM 0 HD13 ILE A 91 6.389 -3.406 2.214 1.00 0.00 H new ATOM 1460 N SER A 92 11.792 -5.569 4.113 1.00 0.00 N ATOM 1461 CA SER A 92 13.070 -5.006 4.647 1.00 0.00 C ATOM 1462 C SER A 92 13.424 -3.714 3.903 1.00 0.00 C ATOM 1463 O SER A 92 12.792 -3.357 2.925 1.00 0.00 O ATOM 1464 CB SER A 92 14.128 -6.080 4.387 1.00 0.00 C ATOM 1465 OG SER A 92 13.873 -7.200 5.223 1.00 0.00 O ATOM 0 H SER A 92 11.903 -6.294 3.404 1.00 0.00 H new ATOM 0 HA SER A 92 12.999 -4.760 5.706 1.00 0.00 H new ATOM 0 HB2 SER A 92 14.108 -6.381 3.340 1.00 0.00 H new ATOM 0 HB3 SER A 92 15.123 -5.682 4.585 1.00 0.00 H new ATOM 0 HG SER A 92 14.548 -7.891 5.058 1.00 0.00 H new ATOM 1471 N GLN A 93 14.431 -3.011 4.361 1.00 0.00 N ATOM 1472 CA GLN A 93 14.830 -1.739 3.687 1.00 0.00 C ATOM 1473 C GLN A 93 15.414 -2.031 2.299 1.00 0.00 C ATOM 1474 O GLN A 93 14.933 -1.527 1.303 1.00 0.00 O ATOM 1475 CB GLN A 93 15.884 -1.107 4.603 1.00 0.00 C ATOM 1476 CG GLN A 93 16.133 0.344 4.179 1.00 0.00 C ATOM 1477 CD GLN A 93 17.019 1.041 5.216 1.00 0.00 C ATOM 1478 OE1 GLN A 93 18.135 0.626 5.456 1.00 0.00 O ATOM 1479 NE2 GLN A 93 16.565 2.090 5.846 1.00 0.00 N ATOM 0 H GLN A 93 14.993 -3.264 5.173 1.00 0.00 H new ATOM 0 HA GLN A 93 13.981 -1.072 3.535 1.00 0.00 H new ATOM 0 HB2 GLN A 93 15.547 -1.141 5.639 1.00 0.00 H new ATOM 0 HB3 GLN A 93 16.813 -1.676 4.552 1.00 0.00 H new ATOM 0 HG2 GLN A 93 16.613 0.370 3.201 1.00 0.00 H new ATOM 0 HG3 GLN A 93 15.185 0.873 4.083 1.00 0.00 H new ATOM 0 HE21 GLN A 93 15.628 2.440 5.645 1.00 0.00 H new ATOM 0 HE22 GLN A 93 17.147 2.560 6.539 1.00 0.00 H new ATOM 1488 N GLN A 94 16.445 -2.841 2.227 1.00 0.00 N ATOM 1489 CA GLN A 94 17.057 -3.164 0.898 1.00 0.00 C ATOM 1490 C GLN A 94 16.064 -3.938 0.024 1.00 0.00 C ATOM 1491 O GLN A 94 16.003 -3.738 -1.172 1.00 0.00 O ATOM 1492 CB GLN A 94 18.287 -4.026 1.205 1.00 0.00 C ATOM 1493 CG GLN A 94 19.417 -3.676 0.229 1.00 0.00 C ATOM 1494 CD GLN A 94 18.990 -4.014 -1.203 1.00 0.00 C ATOM 1495 OE1 GLN A 94 18.730 -3.131 -1.996 1.00 0.00 O ATOM 1496 NE2 GLN A 94 18.907 -5.264 -1.572 1.00 0.00 N ATOM 0 H GLN A 94 16.888 -3.291 3.028 1.00 0.00 H new ATOM 0 HA GLN A 94 17.326 -2.261 0.350 1.00 0.00 H new ATOM 0 HB2 GLN A 94 18.614 -3.858 2.231 1.00 0.00 H new ATOM 0 HB3 GLN A 94 18.034 -5.083 1.120 1.00 0.00 H new ATOM 0 HG2 GLN A 94 19.660 -2.616 0.305 1.00 0.00 H new ATOM 0 HG3 GLN A 94 20.319 -4.230 0.489 1.00 0.00 H new ATOM 0 HE21 GLN A 94 19.125 -6.007 -0.908 1.00 0.00 H new ATOM 0 HE22 GLN A 94 18.624 -5.497 -2.524 1.00 0.00 H new ATOM 1505 N GLU A 95 15.286 -4.816 0.612 1.00 0.00 N ATOM 1506 CA GLU A 95 14.292 -5.600 -0.188 1.00 0.00 C ATOM 1507 C GLU A 95 13.404 -4.650 -0.997 1.00 0.00 C ATOM 1508 O GLU A 95 13.125 -4.891 -2.156 1.00 0.00 O ATOM 1509 CB GLU A 95 13.461 -6.366 0.841 1.00 0.00 C ATOM 1510 CG GLU A 95 14.045 -7.768 1.034 1.00 0.00 C ATOM 1511 CD GLU A 95 13.329 -8.754 0.109 1.00 0.00 C ATOM 1512 OE1 GLU A 95 13.700 -8.828 -1.052 1.00 0.00 O ATOM 1513 OE2 GLU A 95 12.418 -9.416 0.578 1.00 0.00 O ATOM 0 H GLU A 95 15.297 -5.023 1.611 1.00 0.00 H new ATOM 0 HA GLU A 95 14.773 -6.272 -0.899 1.00 0.00 H new ATOM 0 HB2 GLU A 95 13.455 -5.830 1.790 1.00 0.00 H new ATOM 0 HB3 GLU A 95 12.425 -6.435 0.508 1.00 0.00 H new ATOM 0 HG2 GLU A 95 15.113 -7.761 0.818 1.00 0.00 H new ATOM 0 HG3 GLU A 95 13.932 -8.080 2.072 1.00 0.00 H new ATOM 1520 N ALA A 96 12.973 -3.563 -0.400 1.00 0.00 N ATOM 1521 CA ALA A 96 12.119 -2.588 -1.145 1.00 0.00 C ATOM 1522 C ALA A 96 12.919 -1.990 -2.307 1.00 0.00 C ATOM 1523 O ALA A 96 12.411 -1.823 -3.400 1.00 0.00 O ATOM 1524 CB ALA A 96 11.749 -1.506 -0.127 1.00 0.00 C ATOM 0 H ALA A 96 13.176 -3.311 0.567 1.00 0.00 H new ATOM 0 HA ALA A 96 11.229 -3.053 -1.568 1.00 0.00 H new ATOM 0 HB1 ALA A 96 11.121 -0.755 -0.606 1.00 0.00 H new ATOM 0 HB2 ALA A 96 11.205 -1.958 0.703 1.00 0.00 H new ATOM 0 HB3 ALA A 96 12.657 -1.034 0.248 1.00 0.00 H new ATOM 1530 N ASN A 97 14.176 -1.694 -2.079 1.00 0.00 N ATOM 1531 CA ASN A 97 15.029 -1.134 -3.168 1.00 0.00 C ATOM 1532 C ASN A 97 15.262 -2.209 -4.236 1.00 0.00 C ATOM 1533 O ASN A 97 15.257 -1.930 -5.419 1.00 0.00 O ATOM 1534 CB ASN A 97 16.349 -0.749 -2.493 1.00 0.00 C ATOM 1535 CG ASN A 97 17.248 -0.023 -3.498 1.00 0.00 C ATOM 1536 OD1 ASN A 97 18.176 -0.602 -4.029 1.00 0.00 O ATOM 1537 ND2 ASN A 97 17.013 1.228 -3.784 1.00 0.00 N ATOM 0 H ASN A 97 14.647 -1.817 -1.183 1.00 0.00 H new ATOM 0 HA ASN A 97 14.570 -0.277 -3.660 1.00 0.00 H new ATOM 0 HB2 ASN A 97 16.156 -0.108 -1.633 1.00 0.00 H new ATOM 0 HB3 ASN A 97 16.851 -1.641 -2.119 1.00 0.00 H new ATOM 0 HD21 ASN A 97 17.607 1.719 -4.452 1.00 0.00 H new ATOM 0 HD22 ASN A 97 16.235 1.715 -3.340 1.00 0.00 H new ATOM 1544 N GLN A 98 15.450 -3.442 -3.820 1.00 0.00 N ATOM 1545 CA GLN A 98 15.670 -4.548 -4.799 1.00 0.00 C ATOM 1546 C GLN A 98 14.430 -4.714 -5.683 1.00 0.00 C ATOM 1547 O GLN A 98 14.539 -4.916 -6.877 1.00 0.00 O ATOM 1548 CB GLN A 98 15.907 -5.805 -3.955 1.00 0.00 C ATOM 1549 CG GLN A 98 16.815 -6.774 -4.720 1.00 0.00 C ATOM 1550 CD GLN A 98 17.337 -7.857 -3.769 1.00 0.00 C ATOM 1551 OE1 GLN A 98 17.659 -7.581 -2.631 1.00 0.00 O ATOM 1552 NE2 GLN A 98 17.439 -9.088 -4.192 1.00 0.00 N ATOM 0 H GLN A 98 15.460 -3.726 -2.840 1.00 0.00 H new ATOM 0 HA GLN A 98 16.513 -4.350 -5.461 1.00 0.00 H new ATOM 0 HB2 GLN A 98 16.366 -5.535 -3.004 1.00 0.00 H new ATOM 0 HB3 GLN A 98 14.956 -6.286 -3.726 1.00 0.00 H new ATOM 0 HG2 GLN A 98 16.263 -7.233 -5.540 1.00 0.00 H new ATOM 0 HG3 GLN A 98 17.651 -6.232 -5.162 1.00 0.00 H new ATOM 0 HE21 GLN A 98 17.169 -9.323 -5.147 1.00 0.00 H new ATOM 0 HE22 GLN A 98 17.788 -9.815 -3.567 1.00 0.00 H new ATOM 1561 N TRP A 99 13.253 -4.604 -5.111 1.00 0.00 N ATOM 1562 CA TRP A 99 12.012 -4.725 -5.933 1.00 0.00 C ATOM 1563 C TRP A 99 11.866 -3.472 -6.798 1.00 0.00 C ATOM 1564 O TRP A 99 11.482 -3.540 -7.950 1.00 0.00 O ATOM 1565 CB TRP A 99 10.858 -4.823 -4.932 1.00 0.00 C ATOM 1566 CG TRP A 99 9.572 -5.023 -5.673 1.00 0.00 C ATOM 1567 CD1 TRP A 99 9.302 -6.061 -6.501 1.00 0.00 C ATOM 1568 CD2 TRP A 99 8.384 -4.180 -5.676 1.00 0.00 C ATOM 1569 NE1 TRP A 99 8.025 -5.905 -7.010 1.00 0.00 N ATOM 1570 CE2 TRP A 99 7.420 -4.761 -6.530 1.00 0.00 C ATOM 1571 CE3 TRP A 99 8.054 -2.979 -5.027 1.00 0.00 C ATOM 1572 CZ2 TRP A 99 6.173 -4.172 -6.733 1.00 0.00 C ATOM 1573 CZ3 TRP A 99 6.802 -2.384 -5.226 1.00 0.00 C ATOM 1574 CH2 TRP A 99 5.861 -2.979 -6.077 1.00 0.00 C ATOM 0 H TRP A 99 13.102 -4.437 -4.116 1.00 0.00 H new ATOM 0 HA TRP A 99 12.031 -5.591 -6.595 1.00 0.00 H new ATOM 0 HB2 TRP A 99 11.027 -5.652 -4.245 1.00 0.00 H new ATOM 0 HB3 TRP A 99 10.806 -3.916 -4.330 1.00 0.00 H new ATOM 0 HD1 TRP A 99 9.973 -6.876 -6.727 1.00 0.00 H new ATOM 0 HE1 TRP A 99 7.585 -6.556 -7.660 1.00 0.00 H new ATOM 0 HE3 TRP A 99 8.771 -2.511 -4.369 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 5.454 -4.635 -7.392 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 6.560 -1.461 -4.720 1.00 0.00 H new ATOM 0 HH2 TRP A 99 4.897 -2.516 -6.225 1.00 0.00 H new ATOM 1585 N LEU A 100 12.191 -2.329 -6.245 1.00 0.00 N ATOM 1586 CA LEU A 100 12.100 -1.058 -7.022 1.00 0.00 C ATOM 1587 C LEU A 100 13.135 -1.070 -8.153 1.00 0.00 C ATOM 1588 O LEU A 100 12.865 -0.633 -9.255 1.00 0.00 O ATOM 1589 CB LEU A 100 12.415 0.055 -6.015 1.00 0.00 C ATOM 1590 CG LEU A 100 12.020 1.414 -6.601 1.00 0.00 C ATOM 1591 CD1 LEU A 100 10.520 1.643 -6.404 1.00 0.00 C ATOM 1592 CD2 LEU A 100 12.802 2.520 -5.887 1.00 0.00 C ATOM 0 H LEU A 100 12.517 -2.223 -5.284 1.00 0.00 H new ATOM 0 HA LEU A 100 11.120 -0.919 -7.479 1.00 0.00 H new ATOM 0 HB2 LEU A 100 11.875 -0.121 -5.085 1.00 0.00 H new ATOM 0 HB3 LEU A 100 13.478 0.048 -5.773 1.00 0.00 H new ATOM 0 HG LEU A 100 12.251 1.431 -7.666 1.00 0.00 H new ATOM 0 HD11 LEU A 100 10.242 2.611 -6.822 1.00 0.00 H new ATOM 0 HD12 LEU A 100 9.962 0.855 -6.910 1.00 0.00 H new ATOM 0 HD13 LEU A 100 10.286 1.627 -5.340 1.00 0.00 H new ATOM 0 HD21 LEU A 100 12.523 3.489 -6.302 1.00 0.00 H new ATOM 0 HD22 LEU A 100 12.570 2.501 -4.822 1.00 0.00 H new ATOM 0 HD23 LEU A 100 13.871 2.359 -6.028 1.00 0.00 H new ATOM 1604 N SER A 101 14.315 -1.578 -7.881 1.00 0.00 N ATOM 1605 CA SER A 101 15.379 -1.635 -8.928 1.00 0.00 C ATOM 1606 C SER A 101 15.041 -2.706 -9.970 1.00 0.00 C ATOM 1607 O SER A 101 14.933 -2.419 -11.147 1.00 0.00 O ATOM 1608 CB SER A 101 16.665 -2.004 -8.179 1.00 0.00 C ATOM 1609 OG SER A 101 17.725 -2.163 -9.114 1.00 0.00 O ATOM 0 H SER A 101 14.585 -1.957 -6.973 1.00 0.00 H new ATOM 0 HA SER A 101 15.478 -0.690 -9.462 1.00 0.00 H new ATOM 0 HB2 SER A 101 16.915 -1.226 -7.457 1.00 0.00 H new ATOM 0 HB3 SER A 101 16.520 -2.926 -7.616 1.00 0.00 H new ATOM 0 HG SER A 101 18.549 -2.397 -8.638 1.00 0.00 H new ATOM 1615 N SER A 102 14.879 -3.939 -9.540 1.00 0.00 N ATOM 1616 CA SER A 102 14.553 -5.052 -10.491 1.00 0.00 C ATOM 1617 C SER A 102 15.682 -5.230 -11.526 1.00 0.00 C ATOM 1618 O SER A 102 16.829 -5.000 -11.171 1.00 0.00 O ATOM 1619 CB SER A 102 13.239 -4.635 -11.163 1.00 0.00 C ATOM 1620 OG SER A 102 12.424 -5.783 -11.354 1.00 0.00 O ATOM 1621 OXT SER A 102 15.385 -5.603 -12.652 1.00 0.00 O ATOM 0 H SER A 102 14.960 -4.222 -8.563 1.00 0.00 H new ATOM 0 HA SER A 102 14.454 -6.012 -9.983 1.00 0.00 H new ATOM 0 HB2 SER A 102 12.718 -3.903 -10.546 1.00 0.00 H new ATOM 0 HB3 SER A 102 13.443 -4.156 -12.121 1.00 0.00 H new ATOM 0 HG SER A 102 11.583 -5.519 -11.782 1.00 0.00 H new TER 1627 SER A 102