USER MOD reduce.3.24.130724 H: found=0, std=0, add=518, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 516 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 Single : A 2 SER OG : rot 124:sc= 1.26 USER MOD Single : A 5 HIS : no HD1:sc= -0.651 K(o=-0.65,f=-0.027) USER MOD Single : A 9 THR OG1 : rot -76:sc= 1.19 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 79:sc= 1.19 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 6:sc= 0.204 USER MOD Single : A 24 GLN : amide:sc= 0.986 K(o=0.99,f=-0.092) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0257 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HE2:sc= -1.37 K(o=-1.4,f=-3.9!) USER MOD Single : A 43 THR OG1 : rot 94:sc= 0.834 USER MOD Single : A 46 SER OG : rot 180:sc= 0.0283 USER MOD Single : A 51 HIS : no HD1:sc= -3.03! C(o=-3!,f=-1.6!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 8 N SER A 2 -4.160 -12.934 -0.011 1.00 0.00 N ATOM 9 CA SER A 2 -2.757 -12.591 -0.259 1.00 0.00 C ATOM 10 C SER A 2 -2.488 -11.106 -0.096 1.00 0.00 C ATOM 11 O SER A 2 -1.588 -10.675 0.624 1.00 0.00 O ATOM 12 CB SER A 2 -2.361 -13.019 -1.681 1.00 0.00 C ATOM 13 OG SER A 2 -3.446 -13.301 -2.555 1.00 0.00 O ATOM 0 HA SER A 2 -2.160 -13.123 0.482 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.754 -12.229 -2.125 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.730 -13.906 -1.613 1.00 0.00 H new ATOM 0 HG SER A 2 -3.370 -12.747 -3.360 1.00 0.00 H new ATOM 19 N GLU A 3 -3.265 -10.336 -0.832 1.00 0.00 N ATOM 20 CA GLU A 3 -3.137 -8.888 -0.885 1.00 0.00 C ATOM 21 C GLU A 3 -3.436 -8.312 0.506 1.00 0.00 C ATOM 22 O GLU A 3 -2.647 -7.541 1.039 1.00 0.00 O ATOM 23 CB GLU A 3 -4.014 -8.279 -1.994 1.00 0.00 C ATOM 24 CG GLU A 3 -3.901 -8.938 -3.383 1.00 0.00 C ATOM 25 CD GLU A 3 -4.475 -10.358 -3.480 1.00 0.00 C ATOM 26 OE1 GLU A 3 -5.487 -10.694 -2.825 1.00 0.00 O ATOM 27 OE2 GLU A 3 -3.831 -11.230 -4.109 1.00 0.00 O ATOM 0 H GLU A 3 -4.015 -10.701 -1.419 1.00 0.00 H new ATOM 0 HA GLU A 3 -2.115 -8.619 -1.151 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -5.055 -8.327 -1.674 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -3.760 -7.224 -2.093 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -4.411 -8.306 -4.110 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -2.850 -8.968 -3.669 1.00 0.00 H new ATOM 34 N GLU A 4 -4.509 -8.769 1.149 1.00 0.00 N ATOM 35 CA GLU A 4 -4.892 -8.367 2.508 1.00 0.00 C ATOM 36 C GLU A 4 -3.749 -8.633 3.495 1.00 0.00 C ATOM 37 O GLU A 4 -3.423 -7.797 4.332 1.00 0.00 O ATOM 38 CB GLU A 4 -6.145 -9.134 2.964 1.00 0.00 C ATOM 39 CG GLU A 4 -7.305 -9.031 1.970 1.00 0.00 C ATOM 40 CD GLU A 4 -8.456 -9.963 2.343 1.00 0.00 C ATOM 41 OE1 GLU A 4 -9.077 -9.816 3.419 1.00 0.00 O ATOM 42 OE2 GLU A 4 -8.731 -10.903 1.565 1.00 0.00 O ATOM 0 H GLU A 4 -5.152 -9.443 0.734 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.109 -7.299 2.492 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.889 -10.184 3.108 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.468 -8.749 3.931 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.666 -8.003 1.938 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -6.949 -9.276 0.969 1.00 0.00 H new ATOM 49 N HIS A 5 -3.082 -9.779 3.363 1.00 0.00 N ATOM 50 CA HIS A 5 -1.981 -10.169 4.234 1.00 0.00 C ATOM 51 C HIS A 5 -0.793 -9.220 4.048 1.00 0.00 C ATOM 52 O HIS A 5 0.013 -9.050 4.963 1.00 0.00 O ATOM 53 CB HIS A 5 -1.604 -11.633 3.956 1.00 0.00 C ATOM 54 CG HIS A 5 -0.455 -12.172 4.788 1.00 0.00 C ATOM 55 ND1 HIS A 5 -0.552 -13.052 5.841 1.00 0.00 N ATOM 56 CD2 HIS A 5 0.874 -11.865 4.648 1.00 0.00 C ATOM 57 CE1 HIS A 5 0.687 -13.273 6.308 1.00 0.00 C ATOM 58 NE2 HIS A 5 1.601 -12.577 5.610 1.00 0.00 N ATOM 0 H HIS A 5 -3.295 -10.467 2.641 1.00 0.00 H new ATOM 0 HA HIS A 5 -2.288 -10.093 5.277 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -2.481 -12.257 4.129 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -1.346 -11.731 2.902 1.00 0.00 H new ATOM 0 HD2 HIS A 5 1.291 -11.187 3.918 1.00 0.00 H new ATOM 0 HE1 HIS A 5 0.919 -13.925 7.137 1.00 0.00 H new ATOM 0 HE2 HIS A 5 2.611 -12.569 5.751 1.00 0.00 H new ATOM 66 N PHE A 6 -0.655 -8.583 2.883 1.00 0.00 N ATOM 67 CA PHE A 6 0.354 -7.554 2.689 1.00 0.00 C ATOM 68 C PHE A 6 0.052 -6.309 3.528 1.00 0.00 C ATOM 69 O PHE A 6 0.947 -5.795 4.197 1.00 0.00 O ATOM 70 CB PHE A 6 0.505 -7.214 1.209 1.00 0.00 C ATOM 71 CG PHE A 6 1.739 -6.377 0.980 1.00 0.00 C ATOM 72 CD1 PHE A 6 3.011 -6.965 1.070 1.00 0.00 C ATOM 73 CD2 PHE A 6 1.616 -4.989 0.816 1.00 0.00 C ATOM 74 CE1 PHE A 6 4.159 -6.160 1.007 1.00 0.00 C ATOM 75 CE2 PHE A 6 2.767 -4.181 0.745 1.00 0.00 C ATOM 76 CZ PHE A 6 4.041 -4.766 0.861 1.00 0.00 C ATOM 0 H PHE A 6 -1.233 -8.766 2.063 1.00 0.00 H new ATOM 0 HA PHE A 6 1.308 -7.949 3.037 1.00 0.00 H new ATOM 0 HB2 PHE A 6 0.568 -8.132 0.624 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -0.376 -6.675 0.862 1.00 0.00 H new ATOM 0 HD1 PHE A 6 3.106 -8.034 1.187 1.00 0.00 H new ATOM 0 HD2 PHE A 6 0.637 -4.539 0.744 1.00 0.00 H new ATOM 0 HE1 PHE A 6 5.137 -6.613 1.071 1.00 0.00 H new ATOM 0 HE2 PHE A 6 2.672 -3.115 0.602 1.00 0.00 H new ATOM 0 HZ PHE A 6 4.926 -4.147 0.838 1.00 0.00 H new ATOM 86 N VAL A 7 -1.200 -5.842 3.532 1.00 0.00 N ATOM 87 CA VAL A 7 -1.633 -4.761 4.421 1.00 0.00 C ATOM 88 C VAL A 7 -1.319 -5.150 5.865 1.00 0.00 C ATOM 89 O VAL A 7 -0.734 -4.369 6.621 1.00 0.00 O ATOM 90 CB VAL A 7 -3.133 -4.454 4.227 1.00 0.00 C ATOM 91 CG1 VAL A 7 -3.592 -3.329 5.163 1.00 0.00 C ATOM 92 CG2 VAL A 7 -3.436 -4.078 2.771 1.00 0.00 C ATOM 0 H VAL A 7 -1.937 -6.200 2.924 1.00 0.00 H new ATOM 0 HA VAL A 7 -1.091 -3.848 4.176 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.685 -5.360 4.475 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.653 -3.134 5.005 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -3.429 -3.628 6.198 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -3.021 -2.425 4.952 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.500 -3.867 2.664 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.861 -3.194 2.496 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.163 -4.906 2.117 1.00 0.00 H new ATOM 102 N GLU A 8 -1.680 -6.383 6.212 1.00 0.00 N ATOM 103 CA GLU A 8 -1.544 -6.938 7.544 1.00 0.00 C ATOM 104 C GLU A 8 -0.079 -6.855 7.982 1.00 0.00 C ATOM 105 O GLU A 8 0.218 -6.311 9.041 1.00 0.00 O ATOM 106 CB GLU A 8 -2.080 -8.377 7.544 1.00 0.00 C ATOM 107 CG GLU A 8 -2.222 -8.963 8.951 1.00 0.00 C ATOM 108 CD GLU A 8 -3.521 -8.623 9.687 1.00 0.00 C ATOM 109 OE1 GLU A 8 -4.163 -7.585 9.410 1.00 0.00 O ATOM 110 OE2 GLU A 8 -3.855 -9.407 10.608 1.00 0.00 O ATOM 0 H GLU A 8 -2.088 -7.040 5.547 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.130 -6.368 8.265 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.051 -8.397 7.048 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -1.411 -9.008 6.960 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.139 -10.048 8.882 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -1.383 -8.616 9.555 1.00 0.00 H new ATOM 117 N THR A 9 0.855 -7.362 7.173 1.00 0.00 N ATOM 118 CA THR A 9 2.256 -7.472 7.546 1.00 0.00 C ATOM 119 C THR A 9 2.912 -6.116 7.762 1.00 0.00 C ATOM 120 O THR A 9 3.714 -5.957 8.694 1.00 0.00 O ATOM 121 CB THR A 9 3.049 -8.226 6.473 1.00 0.00 C ATOM 122 OG1 THR A 9 2.502 -8.204 5.171 1.00 0.00 O ATOM 123 CG2 THR A 9 3.245 -9.684 6.870 1.00 0.00 C ATOM 0 H THR A 9 0.652 -7.708 6.235 1.00 0.00 H new ATOM 0 HA THR A 9 2.273 -8.021 8.488 1.00 0.00 H new ATOM 0 HB THR A 9 3.991 -7.680 6.426 1.00 0.00 H new ATOM 0 HG1 THR A 9 1.743 -8.822 5.125 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.810 -10.200 6.094 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.792 -9.734 7.811 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.273 -10.162 6.989 1.00 0.00 H new ATOM 131 N VAL A 10 2.630 -5.164 6.875 1.00 0.00 N ATOM 132 CA VAL A 10 3.207 -3.839 6.982 1.00 0.00 C ATOM 133 C VAL A 10 2.677 -3.169 8.251 1.00 0.00 C ATOM 134 O VAL A 10 3.465 -2.510 8.925 1.00 0.00 O ATOM 135 CB VAL A 10 2.931 -3.037 5.703 1.00 0.00 C ATOM 136 CG1 VAL A 10 3.434 -1.602 5.819 1.00 0.00 C ATOM 137 CG2 VAL A 10 3.632 -3.617 4.478 1.00 0.00 C ATOM 0 H VAL A 10 2.006 -5.291 6.078 1.00 0.00 H new ATOM 0 HA VAL A 10 4.292 -3.893 7.073 1.00 0.00 H new ATOM 0 HB VAL A 10 1.848 -3.080 5.584 1.00 0.00 H new ATOM 0 HG11 VAL A 10 3.221 -1.066 4.894 1.00 0.00 H new ATOM 0 HG12 VAL A 10 2.932 -1.106 6.650 1.00 0.00 H new ATOM 0 HG13 VAL A 10 4.510 -1.607 5.996 1.00 0.00 H new ATOM 0 HG21 VAL A 10 3.400 -3.008 3.604 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.709 -3.620 4.643 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.288 -4.638 4.311 1.00 0.00 H new ATOM 147 N SER A 11 1.410 -3.374 8.631 1.00 0.00 N ATOM 148 CA SER A 11 0.864 -2.821 9.865 1.00 0.00 C ATOM 149 C SER A 11 1.691 -3.254 11.077 1.00 0.00 C ATOM 150 O SER A 11 1.951 -2.456 11.988 1.00 0.00 O ATOM 151 CB SER A 11 -0.601 -3.241 9.998 1.00 0.00 C ATOM 152 OG SER A 11 -1.222 -2.652 11.120 1.00 0.00 O ATOM 0 H SER A 11 0.742 -3.925 8.092 1.00 0.00 H new ATOM 0 HA SER A 11 0.914 -1.733 9.827 1.00 0.00 H new ATOM 0 HB2 SER A 11 -1.142 -2.959 9.095 1.00 0.00 H new ATOM 0 HB3 SER A 11 -0.661 -4.326 10.079 1.00 0.00 H new ATOM 0 HG SER A 11 -2.156 -2.944 11.168 1.00 0.00 H new ATOM 158 N LEU A 12 2.146 -4.510 11.096 1.00 0.00 N ATOM 159 CA LEU A 12 2.864 -5.022 12.256 1.00 0.00 C ATOM 160 C LEU A 12 4.248 -4.386 12.377 1.00 0.00 C ATOM 161 O LEU A 12 4.715 -4.140 13.488 1.00 0.00 O ATOM 162 CB LEU A 12 2.978 -6.551 12.258 1.00 0.00 C ATOM 163 CG LEU A 12 1.664 -7.290 11.960 1.00 0.00 C ATOM 164 CD1 LEU A 12 1.891 -8.800 12.036 1.00 0.00 C ATOM 165 CD2 LEU A 12 0.493 -6.916 12.875 1.00 0.00 C ATOM 0 H LEU A 12 2.031 -5.177 10.333 1.00 0.00 H new ATOM 0 HA LEU A 12 2.271 -4.743 13.127 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.722 -6.848 11.519 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.349 -6.874 13.231 1.00 0.00 H new ATOM 0 HG LEU A 12 1.378 -6.976 10.956 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.957 -9.320 11.824 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.643 -9.092 11.303 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.236 -9.066 13.035 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.390 -7.488 12.589 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.752 -7.143 13.909 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.282 -5.851 12.779 1.00 0.00 H new ATOM 177 N ALA A 13 4.901 -4.108 11.244 1.00 0.00 N ATOM 178 CA ALA A 13 6.161 -3.376 11.214 1.00 0.00 C ATOM 179 C ALA A 13 5.943 -1.864 11.348 1.00 0.00 C ATOM 180 O ALA A 13 6.862 -1.138 11.721 1.00 0.00 O ATOM 181 CB ALA A 13 6.888 -3.690 9.905 1.00 0.00 C ATOM 0 H ALA A 13 4.566 -4.387 10.322 1.00 0.00 H new ATOM 0 HA ALA A 13 6.765 -3.693 12.064 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.832 -3.146 9.874 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.084 -4.761 9.845 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.267 -3.387 9.062 1.00 0.00 H new ATOM 187 N GLY A 14 4.749 -1.359 11.038 1.00 0.00 N ATOM 188 CA GLY A 14 4.473 0.060 10.866 1.00 0.00 C ATOM 189 C GLY A 14 5.221 0.659 9.671 1.00 0.00 C ATOM 190 O GLY A 14 5.318 1.879 9.564 1.00 0.00 O ATOM 0 H GLY A 14 3.927 -1.946 10.896 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.401 0.205 10.730 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.755 0.595 11.773 1.00 0.00 H new ATOM 194 N SER A 15 5.784 -0.146 8.763 1.00 0.00 N ATOM 195 CA SER A 15 6.672 0.330 7.710 1.00 0.00 C ATOM 196 C SER A 15 7.013 -0.830 6.764 1.00 0.00 C ATOM 197 O SER A 15 6.751 -1.991 7.075 1.00 0.00 O ATOM 198 CB SER A 15 7.888 1.003 8.390 1.00 0.00 C ATOM 199 OG SER A 15 9.128 0.798 7.753 1.00 0.00 O ATOM 0 H SER A 15 5.631 -1.154 8.743 1.00 0.00 H new ATOM 0 HA SER A 15 6.208 1.084 7.074 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.702 2.075 8.449 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.960 0.635 9.414 1.00 0.00 H new ATOM 0 HG SER A 15 9.205 1.402 6.985 1.00 0.00 H new ATOM 205 N TYR A 16 7.584 -0.517 5.598 1.00 0.00 N ATOM 206 CA TYR A 16 8.108 -1.504 4.644 1.00 0.00 C ATOM 207 C TYR A 16 9.315 -0.920 3.920 1.00 0.00 C ATOM 208 O TYR A 16 9.187 0.179 3.383 1.00 0.00 O ATOM 209 CB TYR A 16 7.030 -1.860 3.611 1.00 0.00 C ATOM 210 CG TYR A 16 7.394 -3.022 2.703 1.00 0.00 C ATOM 211 CD1 TYR A 16 8.098 -2.821 1.498 1.00 0.00 C ATOM 212 CD2 TYR A 16 7.032 -4.326 3.076 1.00 0.00 C ATOM 213 CE1 TYR A 16 8.402 -3.910 0.653 1.00 0.00 C ATOM 214 CE2 TYR A 16 7.324 -5.411 2.245 1.00 0.00 C ATOM 215 CZ TYR A 16 7.990 -5.215 1.017 1.00 0.00 C ATOM 216 OH TYR A 16 8.233 -6.273 0.201 1.00 0.00 O ATOM 0 H TYR A 16 7.698 0.446 5.283 1.00 0.00 H new ATOM 0 HA TYR A 16 8.399 -2.402 5.188 1.00 0.00 H new ATOM 0 HB2 TYR A 16 6.105 -2.100 4.136 1.00 0.00 H new ATOM 0 HB3 TYR A 16 6.829 -0.983 2.996 1.00 0.00 H new ATOM 0 HD1 TYR A 16 8.407 -1.825 1.219 1.00 0.00 H new ATOM 0 HD2 TYR A 16 6.523 -4.492 4.014 1.00 0.00 H new ATOM 0 HE1 TYR A 16 8.946 -3.749 -0.266 1.00 0.00 H new ATOM 0 HE2 TYR A 16 7.037 -6.408 2.545 1.00 0.00 H new ATOM 0 HH TYR A 16 7.881 -7.090 0.612 1.00 0.00 H new ATOM 226 N ARG A 17 10.433 -1.651 3.806 1.00 0.00 N ATOM 227 CA ARG A 17 11.726 -1.229 3.248 1.00 0.00 C ATOM 228 C ARG A 17 12.220 0.077 3.867 1.00 0.00 C ATOM 229 O ARG A 17 13.077 0.072 4.749 1.00 0.00 O ATOM 230 CB ARG A 17 11.669 -1.140 1.708 1.00 0.00 C ATOM 231 CG ARG A 17 11.463 -2.475 0.980 1.00 0.00 C ATOM 232 CD ARG A 17 12.732 -2.974 0.287 1.00 0.00 C ATOM 233 NE ARG A 17 13.623 -3.705 1.206 1.00 0.00 N ATOM 234 CZ ARG A 17 14.690 -4.428 0.845 1.00 0.00 C ATOM 235 NH1 ARG A 17 15.118 -4.447 -0.414 1.00 0.00 N ATOM 236 NH2 ARG A 17 15.313 -5.150 1.767 1.00 0.00 N ATOM 0 H ARG A 17 10.460 -2.620 4.123 1.00 0.00 H new ATOM 0 HA ARG A 17 12.454 -1.997 3.509 1.00 0.00 H new ATOM 0 HB2 ARG A 17 10.860 -0.465 1.429 1.00 0.00 H new ATOM 0 HB3 ARG A 17 12.596 -0.690 1.352 1.00 0.00 H new ATOM 0 HG2 ARG A 17 11.126 -3.225 1.695 1.00 0.00 H new ATOM 0 HG3 ARG A 17 10.671 -2.362 0.240 1.00 0.00 H new ATOM 0 HD2 ARG A 17 12.458 -3.625 -0.543 1.00 0.00 H new ATOM 0 HD3 ARG A 17 13.269 -2.125 -0.137 1.00 0.00 H new ATOM 0 HE ARG A 17 13.408 -3.656 2.202 1.00 0.00 H new ATOM 0 HH11 ARG A 17 14.631 -3.903 -1.127 1.00 0.00 H new ATOM 0 HH12 ARG A 17 15.933 -5.005 -0.667 1.00 0.00 H new ATOM 0 HH21 ARG A 17 14.977 -5.147 2.730 1.00 0.00 H new ATOM 0 HH22 ARG A 17 16.128 -5.708 1.513 1.00 0.00 H new ATOM 250 N ASP A 18 11.715 1.194 3.363 1.00 0.00 N ATOM 251 CA ASP A 18 12.098 2.565 3.690 1.00 0.00 C ATOM 252 C ASP A 18 10.870 3.457 3.893 1.00 0.00 C ATOM 253 O ASP A 18 10.991 4.645 4.175 1.00 0.00 O ATOM 254 CB ASP A 18 12.943 3.117 2.538 1.00 0.00 C ATOM 255 CG ASP A 18 14.112 3.937 3.061 1.00 0.00 C ATOM 256 OD1 ASP A 18 15.156 3.310 3.350 1.00 0.00 O ATOM 257 OD2 ASP A 18 14.001 5.178 3.158 1.00 0.00 O ATOM 0 H ASP A 18 10.973 1.166 2.664 1.00 0.00 H new ATOM 0 HA ASP A 18 12.664 2.560 4.622 1.00 0.00 H new ATOM 0 HB2 ASP A 18 13.316 2.293 1.929 1.00 0.00 H new ATOM 0 HB3 ASP A 18 12.321 3.736 1.891 1.00 0.00 H new ATOM 262 N TRP A 19 9.672 2.905 3.702 1.00 0.00 N ATOM 263 CA TRP A 19 8.395 3.587 3.798 1.00 0.00 C ATOM 264 C TRP A 19 7.861 3.444 5.221 1.00 0.00 C ATOM 265 O TRP A 19 8.384 2.658 6.011 1.00 0.00 O ATOM 266 CB TRP A 19 7.385 2.960 2.820 1.00 0.00 C ATOM 267 CG TRP A 19 7.736 2.936 1.372 1.00 0.00 C ATOM 268 CD1 TRP A 19 8.764 2.267 0.815 1.00 0.00 C ATOM 269 CD2 TRP A 19 7.025 3.568 0.269 1.00 0.00 C ATOM 270 NE1 TRP A 19 8.768 2.489 -0.542 1.00 0.00 N ATOM 271 CE2 TRP A 19 7.717 3.281 -0.940 1.00 0.00 C ATOM 272 CE3 TRP A 19 5.862 4.353 0.166 1.00 0.00 C ATOM 273 CZ2 TRP A 19 7.259 3.722 -2.188 1.00 0.00 C ATOM 274 CZ3 TRP A 19 5.420 4.845 -1.065 1.00 0.00 C ATOM 275 CH2 TRP A 19 6.102 4.512 -2.248 1.00 0.00 C ATOM 0 H TRP A 19 9.568 1.919 3.464 1.00 0.00 H new ATOM 0 HA TRP A 19 8.531 4.639 3.548 1.00 0.00 H new ATOM 0 HB2 TRP A 19 7.206 1.933 3.137 1.00 0.00 H new ATOM 0 HB3 TRP A 19 6.441 3.495 2.926 1.00 0.00 H new ATOM 0 HD1 TRP A 19 9.473 1.653 1.350 1.00 0.00 H new ATOM 0 HE1 TRP A 19 9.469 2.110 -1.179 1.00 0.00 H new ATOM 0 HE3 TRP A 19 5.298 4.581 1.059 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 7.789 3.457 -3.091 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 4.550 5.484 -1.108 1.00 0.00 H new ATOM 0 HH2 TRP A 19 5.736 4.864 -3.201 1.00 0.00 H new ATOM 286 N SER A 20 6.750 4.110 5.502 1.00 0.00 N ATOM 287 CA SER A 20 6.043 4.213 6.762 1.00 0.00 C ATOM 288 C SER A 20 4.598 3.807 6.495 1.00 0.00 C ATOM 289 O SER A 20 4.033 4.264 5.511 1.00 0.00 O ATOM 290 CB SER A 20 6.085 5.699 7.128 1.00 0.00 C ATOM 291 OG SER A 20 7.344 6.030 7.681 1.00 0.00 O ATOM 0 H SER A 20 6.276 4.645 4.774 1.00 0.00 H new ATOM 0 HA SER A 20 6.467 3.593 7.552 1.00 0.00 H new ATOM 0 HB2 SER A 20 5.898 6.305 6.241 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.294 5.928 7.843 1.00 0.00 H new ATOM 0 HG SER A 20 7.361 6.983 7.910 1.00 0.00 H new ATOM 297 N TYR A 21 3.999 2.951 7.316 1.00 0.00 N ATOM 298 CA TYR A 21 2.555 2.690 7.314 1.00 0.00 C ATOM 299 C TYR A 21 1.780 3.973 7.661 1.00 0.00 C ATOM 300 O TYR A 21 2.362 4.985 8.061 1.00 0.00 O ATOM 301 CB TYR A 21 2.283 1.544 8.303 1.00 0.00 C ATOM 302 CG TYR A 21 0.891 0.937 8.294 1.00 0.00 C ATOM 303 CD1 TYR A 21 0.514 0.036 7.278 1.00 0.00 C ATOM 304 CD2 TYR A 21 -0.006 1.207 9.344 1.00 0.00 C ATOM 305 CE1 TYR A 21 -0.744 -0.585 7.307 1.00 0.00 C ATOM 306 CE2 TYR A 21 -1.277 0.607 9.369 1.00 0.00 C ATOM 307 CZ TYR A 21 -1.647 -0.291 8.346 1.00 0.00 C ATOM 308 OH TYR A 21 -2.865 -0.888 8.335 1.00 0.00 O ATOM 0 H TYR A 21 4.507 2.408 8.014 1.00 0.00 H new ATOM 0 HA TYR A 21 2.210 2.387 6.325 1.00 0.00 H new ATOM 0 HB2 TYR A 21 3.000 0.748 8.103 1.00 0.00 H new ATOM 0 HB3 TYR A 21 2.485 1.911 9.309 1.00 0.00 H new ATOM 0 HD1 TYR A 21 1.199 -0.178 6.471 1.00 0.00 H new ATOM 0 HD2 TYR A 21 0.284 1.880 10.137 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.019 -1.287 6.534 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -1.967 0.833 10.168 1.00 0.00 H new ATOM 0 HH TYR A 21 -3.381 -0.592 9.113 1.00 0.00 H new ATOM 318 N SER A 22 0.469 3.972 7.444 1.00 0.00 N ATOM 319 CA SER A 22 -0.474 5.020 7.786 1.00 0.00 C ATOM 320 C SER A 22 -1.760 4.350 8.294 1.00 0.00 C ATOM 321 O SER A 22 -1.764 3.831 9.406 1.00 0.00 O ATOM 322 CB SER A 22 -0.611 5.975 6.601 1.00 0.00 C ATOM 323 OG SER A 22 0.614 6.664 6.418 1.00 0.00 O ATOM 0 H SER A 22 0.010 3.181 6.992 1.00 0.00 H new ATOM 0 HA SER A 22 -0.142 5.660 8.603 1.00 0.00 H new ATOM 0 HB2 SER A 22 -0.869 5.420 5.699 1.00 0.00 H new ATOM 0 HB3 SER A 22 -1.419 6.685 6.781 1.00 0.00 H new ATOM 0 HG SER A 22 1.288 6.302 7.031 1.00 0.00 H new ATOM 329 N GLY A 23 -2.876 4.414 7.564 1.00 0.00 N ATOM 330 CA GLY A 23 -4.139 3.765 7.939 1.00 0.00 C ATOM 331 C GLY A 23 -5.313 4.741 7.960 1.00 0.00 C ATOM 332 O GLY A 23 -6.415 4.423 8.406 1.00 0.00 O ATOM 0 H GLY A 23 -2.931 4.925 6.683 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -4.353 2.959 7.236 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.032 3.309 8.923 1.00 0.00 H new ATOM 336 N GLN A 24 -5.087 5.956 7.467 1.00 0.00 N ATOM 337 CA GLN A 24 -6.093 6.987 7.354 1.00 0.00 C ATOM 338 C GLN A 24 -6.956 6.671 6.137 1.00 0.00 C ATOM 339 O GLN A 24 -6.520 6.851 4.994 1.00 0.00 O ATOM 340 CB GLN A 24 -5.382 8.342 7.263 1.00 0.00 C ATOM 341 CG GLN A 24 -6.355 9.499 7.048 1.00 0.00 C ATOM 342 CD GLN A 24 -7.354 9.659 8.195 1.00 0.00 C ATOM 343 OE1 GLN A 24 -6.985 9.860 9.350 1.00 0.00 O ATOM 344 NE2 GLN A 24 -8.643 9.544 7.941 1.00 0.00 N ATOM 0 H GLN A 24 -4.171 6.250 7.128 1.00 0.00 H new ATOM 0 HA GLN A 24 -6.753 7.028 8.220 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -4.815 8.513 8.178 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -4.664 8.318 6.443 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -5.791 10.425 6.933 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.900 9.340 6.118 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.962 9.377 6.987 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -9.321 9.622 8.699 1.00 0.00 H new ATOM 353 N ARG A 25 -8.164 6.148 6.360 1.00 0.00 N ATOM 354 CA ARG A 25 -9.147 6.062 5.286 1.00 0.00 C ATOM 355 C ARG A 25 -9.463 7.465 4.783 1.00 0.00 C ATOM 356 O ARG A 25 -9.572 8.390 5.585 1.00 0.00 O ATOM 357 CB ARG A 25 -10.369 5.222 5.618 1.00 0.00 C ATOM 358 CG ARG A 25 -11.211 5.747 6.760 1.00 0.00 C ATOM 359 CD ARG A 25 -10.694 5.305 8.137 1.00 0.00 C ATOM 360 NE ARG A 25 -11.687 4.506 8.870 1.00 0.00 N ATOM 361 CZ ARG A 25 -11.513 3.967 10.081 1.00 0.00 C ATOM 362 NH1 ARG A 25 -10.395 4.191 10.766 1.00 0.00 N ATOM 363 NH2 ARG A 25 -12.470 3.203 10.597 1.00 0.00 N ATOM 0 H ARG A 25 -8.478 5.784 7.260 1.00 0.00 H new ATOM 0 HA ARG A 25 -8.703 5.500 4.464 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -10.994 5.149 4.728 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -10.042 4.211 5.862 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -11.232 6.836 6.718 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -12.238 5.403 6.636 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -9.782 4.722 8.011 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -10.432 6.185 8.725 1.00 0.00 H new ATOM 0 HE ARG A 25 -12.586 4.349 8.415 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -9.662 4.778 10.368 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -10.271 3.776 11.689 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -13.327 3.033 10.070 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -12.348 2.787 11.520 1.00 0.00 H new ATOM 377 N THR A 26 -9.585 7.624 3.478 1.00 0.00 N ATOM 378 CA THR A 26 -10.052 8.852 2.854 1.00 0.00 C ATOM 379 C THR A 26 -11.043 8.433 1.769 1.00 0.00 C ATOM 380 O THR A 26 -11.401 7.260 1.667 1.00 0.00 O ATOM 381 CB THR A 26 -8.871 9.708 2.337 1.00 0.00 C ATOM 382 OG1 THR A 26 -8.266 9.110 1.208 1.00 0.00 O ATOM 383 CG2 THR A 26 -7.786 10.005 3.385 1.00 0.00 C ATOM 0 H THR A 26 -9.358 6.890 2.807 1.00 0.00 H new ATOM 0 HA THR A 26 -10.556 9.506 3.566 1.00 0.00 H new ATOM 0 HB THR A 26 -9.323 10.664 2.072 1.00 0.00 H new ATOM 0 HG1 THR A 26 -7.524 9.671 0.899 1.00 0.00 H new ATOM 0 HG21 THR A 26 -7.000 10.610 2.933 1.00 0.00 H new ATOM 0 HG22 THR A 26 -8.227 10.548 4.221 1.00 0.00 H new ATOM 0 HG23 THR A 26 -7.362 9.068 3.745 1.00 0.00 H new ATOM 391 N GLU A 27 -11.472 9.369 0.927 1.00 0.00 N ATOM 392 CA GLU A 27 -12.293 9.078 -0.242 1.00 0.00 C ATOM 393 C GLU A 27 -11.627 8.033 -1.141 1.00 0.00 C ATOM 394 O GLU A 27 -12.307 7.226 -1.774 1.00 0.00 O ATOM 395 CB GLU A 27 -12.545 10.347 -1.062 1.00 0.00 C ATOM 396 CG GLU A 27 -12.565 11.626 -0.224 1.00 0.00 C ATOM 397 CD GLU A 27 -13.081 12.832 -0.996 1.00 0.00 C ATOM 398 OE1 GLU A 27 -14.297 12.835 -1.310 1.00 0.00 O ATOM 399 OE2 GLU A 27 -12.288 13.785 -1.196 1.00 0.00 O ATOM 0 H GLU A 27 -11.257 10.360 1.039 1.00 0.00 H new ATOM 0 HA GLU A 27 -13.242 8.685 0.123 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -11.772 10.435 -1.825 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -13.498 10.249 -1.583 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -13.190 11.469 0.655 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.557 11.835 0.135 1.00 0.00 H new ATOM 406 N LEU A 28 -10.293 8.048 -1.198 1.00 0.00 N ATOM 407 CA LEU A 28 -9.545 7.422 -2.279 1.00 0.00 C ATOM 408 C LEU A 28 -8.952 6.081 -1.881 1.00 0.00 C ATOM 409 O LEU A 28 -8.094 5.548 -2.584 1.00 0.00 O ATOM 410 CB LEU A 28 -8.527 8.415 -2.869 1.00 0.00 C ATOM 411 CG LEU A 28 -9.148 9.761 -3.311 1.00 0.00 C ATOM 412 CD1 LEU A 28 -8.076 10.684 -3.884 1.00 0.00 C ATOM 413 CD2 LEU A 28 -10.268 9.613 -4.351 1.00 0.00 C ATOM 0 H LEU A 28 -9.706 8.495 -0.494 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.240 7.174 -3.081 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.752 8.610 -2.127 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.038 7.953 -3.727 1.00 0.00 H new ATOM 0 HG LEU A 28 -9.588 10.186 -2.409 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.532 11.626 -4.189 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.318 10.877 -3.125 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.611 10.209 -4.748 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -10.655 10.598 -4.612 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.873 9.129 -5.245 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -11.072 9.006 -3.936 1.00 0.00 H new ATOM 425 N GLY A 29 -9.441 5.520 -0.776 1.00 0.00 N ATOM 426 CA GLY A 29 -9.019 4.242 -0.262 1.00 0.00 C ATOM 427 C GLY A 29 -8.654 4.410 1.200 1.00 0.00 C ATOM 428 O GLY A 29 -9.292 5.183 1.924 1.00 0.00 O ATOM 0 H GLY A 29 -10.161 5.964 -0.206 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -9.817 3.507 -0.372 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -8.164 3.870 -0.826 1.00 0.00 H new ATOM 432 N VAL A 30 -7.629 3.704 1.654 1.00 0.00 N ATOM 433 CA VAL A 30 -6.941 4.033 2.893 1.00 0.00 C ATOM 434 C VAL A 30 -5.456 4.254 2.588 1.00 0.00 C ATOM 435 O VAL A 30 -4.870 3.577 1.744 1.00 0.00 O ATOM 436 CB VAL A 30 -7.283 3.007 3.986 1.00 0.00 C ATOM 437 CG1 VAL A 30 -7.142 1.585 3.487 1.00 0.00 C ATOM 438 CG2 VAL A 30 -6.434 3.160 5.246 1.00 0.00 C ATOM 0 H VAL A 30 -7.251 2.887 1.174 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.285 4.975 3.320 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.322 3.212 4.243 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.393 0.891 4.290 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.817 1.426 2.646 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -6.115 1.412 3.166 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.727 2.405 5.976 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.382 3.031 4.993 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.587 4.153 5.669 1.00 0.00 H new ATOM 448 N GLU A 31 -4.877 5.274 3.228 1.00 0.00 N ATOM 449 CA GLU A 31 -3.480 5.659 3.133 1.00 0.00 C ATOM 450 C GLU A 31 -2.637 4.490 3.619 1.00 0.00 C ATOM 451 O GLU A 31 -2.794 4.049 4.759 1.00 0.00 O ATOM 452 CB GLU A 31 -3.202 6.883 4.021 1.00 0.00 C ATOM 453 CG GLU A 31 -3.524 8.236 3.370 1.00 0.00 C ATOM 454 CD GLU A 31 -2.710 9.385 4.003 1.00 0.00 C ATOM 455 OE1 GLU A 31 -1.495 9.221 4.242 1.00 0.00 O ATOM 456 OE2 GLU A 31 -3.269 10.485 4.221 1.00 0.00 O ATOM 0 H GLU A 31 -5.404 5.880 3.857 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.237 5.914 2.101 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.784 6.789 4.938 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.151 6.875 4.308 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -3.311 8.185 2.302 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -4.589 8.445 3.473 1.00 0.00 H new ATOM 463 N PHE A 32 -1.750 4.003 2.760 1.00 0.00 N ATOM 464 CA PHE A 32 -0.942 2.830 2.984 1.00 0.00 C ATOM 465 C PHE A 32 0.440 3.200 3.455 1.00 0.00 C ATOM 466 O PHE A 32 0.667 3.704 4.550 1.00 0.00 O ATOM 467 CB PHE A 32 -1.131 1.817 1.832 1.00 0.00 C ATOM 468 CG PHE A 32 -0.693 0.381 2.106 1.00 0.00 C ATOM 469 CD1 PHE A 32 -0.616 -0.154 3.415 1.00 0.00 C ATOM 470 CD2 PHE A 32 -0.399 -0.453 1.011 1.00 0.00 C ATOM 471 CE1 PHE A 32 -0.143 -1.458 3.618 1.00 0.00 C ATOM 472 CE2 PHE A 32 0.056 -1.765 1.219 1.00 0.00 C ATOM 473 CZ PHE A 32 0.223 -2.254 2.526 1.00 0.00 C ATOM 0 H PHE A 32 -1.573 4.438 1.855 1.00 0.00 H new ATOM 0 HA PHE A 32 -1.283 2.244 3.837 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.186 1.805 1.559 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.581 2.181 0.964 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.923 0.445 4.260 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.524 -0.082 0.005 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.061 -1.850 4.621 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.278 -2.399 0.373 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.632 -3.240 2.687 1.00 0.00 H new ATOM 483 N LEU A 33 1.352 2.906 2.582 1.00 0.00 N ATOM 484 CA LEU A 33 2.770 3.189 2.711 1.00 0.00 C ATOM 485 C LEU A 33 2.998 4.612 2.230 1.00 0.00 C ATOM 486 O LEU A 33 2.723 4.932 1.076 1.00 0.00 O ATOM 487 CB LEU A 33 3.682 2.202 1.951 1.00 0.00 C ATOM 488 CG LEU A 33 3.925 0.855 2.651 1.00 0.00 C ATOM 489 CD1 LEU A 33 4.456 1.041 4.079 1.00 0.00 C ATOM 490 CD2 LEU A 33 2.671 0.005 2.590 1.00 0.00 C ATOM 0 H LEU A 33 1.127 2.435 1.706 1.00 0.00 H new ATOM 0 HA LEU A 33 3.045 3.070 3.759 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.244 2.009 0.972 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.645 2.682 1.780 1.00 0.00 H new ATOM 0 HG LEU A 33 4.710 0.319 2.117 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.614 0.065 4.538 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.400 1.585 4.048 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.731 1.605 4.666 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.852 -0.947 3.088 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.854 0.526 3.089 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.404 -0.175 1.549 1.00 0.00 H new ATOM 502 N LYS A 34 3.563 5.449 3.088 1.00 0.00 N ATOM 503 CA LYS A 34 4.083 6.764 2.771 1.00 0.00 C ATOM 504 C LYS A 34 5.606 6.720 2.737 1.00 0.00 C ATOM 505 O LYS A 34 6.231 6.158 3.640 1.00 0.00 O ATOM 506 CB LYS A 34 3.629 7.751 3.847 1.00 0.00 C ATOM 507 CG LYS A 34 2.225 8.314 3.587 1.00 0.00 C ATOM 508 CD LYS A 34 2.081 9.769 4.061 1.00 0.00 C ATOM 509 CE LYS A 34 2.801 10.760 3.127 1.00 0.00 C ATOM 510 NZ LYS A 34 3.090 12.041 3.799 1.00 0.00 N ATOM 0 H LYS A 34 3.675 5.214 4.074 1.00 0.00 H new ATOM 0 HA LYS A 34 3.711 7.079 1.796 1.00 0.00 H new ATOM 0 HB2 LYS A 34 3.642 7.254 4.817 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.341 8.575 3.901 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.006 8.259 2.521 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.488 7.694 4.097 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.024 10.028 4.117 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.486 9.863 5.069 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.733 10.316 2.776 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.184 10.943 2.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.575 12.679 3.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.199 12.478 4.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.700 11.870 4.624 1.00 0.00 H new ATOM 524 N ARG A 35 6.237 7.337 1.744 1.00 0.00 N ATOM 525 CA ARG A 35 7.679 7.569 1.707 1.00 0.00 C ATOM 526 C ARG A 35 7.885 8.860 0.941 1.00 0.00 C ATOM 527 O ARG A 35 7.396 8.946 -0.178 1.00 0.00 O ATOM 528 CB ARG A 35 8.367 6.405 0.987 1.00 0.00 C ATOM 529 CG ARG A 35 9.884 6.540 0.821 1.00 0.00 C ATOM 530 CD ARG A 35 10.433 5.291 0.136 1.00 0.00 C ATOM 531 NE ARG A 35 11.875 5.386 -0.140 1.00 0.00 N ATOM 532 CZ ARG A 35 12.615 4.450 -0.747 1.00 0.00 C ATOM 533 NH1 ARG A 35 12.052 3.320 -1.160 1.00 0.00 N ATOM 534 NH2 ARG A 35 13.915 4.654 -0.924 1.00 0.00 N ATOM 0 H ARG A 35 5.751 7.698 0.923 1.00 0.00 H new ATOM 0 HA ARG A 35 8.103 7.639 2.709 1.00 0.00 H new ATOM 0 HB2 ARG A 35 8.159 5.487 1.536 1.00 0.00 H new ATOM 0 HB3 ARG A 35 7.919 6.295 -0.000 1.00 0.00 H new ATOM 0 HG2 ARG A 35 10.119 7.425 0.230 1.00 0.00 H new ATOM 0 HG3 ARG A 35 10.357 6.672 1.794 1.00 0.00 H new ATOM 0 HD2 ARG A 35 10.244 4.422 0.766 1.00 0.00 H new ATOM 0 HD3 ARG A 35 9.897 5.129 -0.799 1.00 0.00 H new ATOM 0 HE ARG A 35 12.352 6.238 0.156 1.00 0.00 H new ATOM 0 HH11 ARG A 35 11.054 3.164 -1.015 1.00 0.00 H new ATOM 0 HH12 ARG A 35 12.617 2.608 -1.622 1.00 0.00 H new ATOM 0 HH21 ARG A 35 14.344 5.520 -0.598 1.00 0.00 H new ATOM 0 HH22 ARG A 35 14.484 3.945 -1.386 1.00 0.00 H new ATOM 548 N GLY A 36 8.553 9.851 1.526 1.00 0.00 N ATOM 549 CA GLY A 36 8.595 11.204 0.983 1.00 0.00 C ATOM 550 C GLY A 36 7.211 11.661 0.540 1.00 0.00 C ATOM 551 O GLY A 36 6.289 11.700 1.357 1.00 0.00 O ATOM 0 H GLY A 36 9.081 9.737 2.391 1.00 0.00 H new ATOM 0 HA2 GLY A 36 8.984 11.889 1.736 1.00 0.00 H new ATOM 0 HA3 GLY A 36 9.281 11.238 0.136 1.00 0.00 H new ATOM 555 N ASP A 37 7.084 11.969 -0.746 1.00 0.00 N ATOM 556 CA ASP A 37 5.870 12.417 -1.426 1.00 0.00 C ATOM 557 C ASP A 37 4.979 11.282 -1.931 1.00 0.00 C ATOM 558 O ASP A 37 3.896 11.538 -2.459 1.00 0.00 O ATOM 559 CB ASP A 37 6.269 13.254 -2.644 1.00 0.00 C ATOM 560 CG ASP A 37 6.752 12.422 -3.834 1.00 0.00 C ATOM 561 OD1 ASP A 37 7.743 11.675 -3.678 1.00 0.00 O ATOM 562 OD2 ASP A 37 6.250 12.605 -4.963 1.00 0.00 O ATOM 0 H ASP A 37 7.877 11.909 -1.385 1.00 0.00 H new ATOM 0 HA ASP A 37 5.301 12.979 -0.686 1.00 0.00 H new ATOM 0 HB2 ASP A 37 5.415 13.855 -2.956 1.00 0.00 H new ATOM 0 HB3 ASP A 37 7.058 13.948 -2.354 1.00 0.00 H new ATOM 567 N LYS A 38 5.432 10.034 -1.839 1.00 0.00 N ATOM 568 CA LYS A 38 4.767 8.883 -2.424 1.00 0.00 C ATOM 569 C LYS A 38 3.824 8.348 -1.371 1.00 0.00 C ATOM 570 O LYS A 38 4.255 8.005 -0.268 1.00 0.00 O ATOM 571 CB LYS A 38 5.798 7.840 -2.889 1.00 0.00 C ATOM 572 CG LYS A 38 6.808 8.399 -3.898 1.00 0.00 C ATOM 573 CD LYS A 38 6.237 9.142 -5.119 1.00 0.00 C ATOM 574 CE LYS A 38 5.477 8.276 -6.132 1.00 0.00 C ATOM 575 NZ LYS A 38 6.374 7.614 -7.099 1.00 0.00 N ATOM 0 H LYS A 38 6.291 9.794 -1.344 1.00 0.00 H new ATOM 0 HA LYS A 38 4.202 9.151 -3.317 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.335 7.457 -2.021 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.275 6.996 -3.338 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.475 9.080 -3.368 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.419 7.572 -4.260 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.567 9.925 -4.764 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.059 9.637 -5.637 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.902 7.519 -5.598 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.762 8.897 -6.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.810 7.042 -7.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.905 8.334 -7.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.040 6.999 -6.590 1.00 0.00 H new ATOM 589 N ILE A 39 2.542 8.292 -1.709 1.00 0.00 N ATOM 590 CA ILE A 39 1.489 7.762 -0.860 1.00 0.00 C ATOM 591 C ILE A 39 0.860 6.619 -1.637 1.00 0.00 C ATOM 592 O ILE A 39 0.165 6.838 -2.628 1.00 0.00 O ATOM 593 CB ILE A 39 0.437 8.823 -0.469 1.00 0.00 C ATOM 594 CG1 ILE A 39 1.138 10.081 0.071 1.00 0.00 C ATOM 595 CG2 ILE A 39 -0.521 8.182 0.558 1.00 0.00 C ATOM 596 CD1 ILE A 39 0.196 11.127 0.677 1.00 0.00 C ATOM 0 H ILE A 39 2.198 8.625 -2.610 1.00 0.00 H new ATOM 0 HA ILE A 39 1.906 7.425 0.089 1.00 0.00 H new ATOM 0 HB ILE A 39 -0.147 9.144 -1.332 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.861 9.781 0.829 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.700 10.544 -0.740 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.277 8.909 0.854 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -1.007 7.315 0.110 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.044 7.868 1.436 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.777 11.978 1.031 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.512 11.462 -0.081 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.348 10.686 1.512 1.00 0.00 H new ATOM 608 N VAL A 40 1.109 5.399 -1.183 1.00 0.00 N ATOM 609 CA VAL A 40 0.399 4.241 -1.686 1.00 0.00 C ATOM 610 C VAL A 40 -0.948 4.265 -0.981 1.00 0.00 C ATOM 611 O VAL A 40 -1.035 4.618 0.196 1.00 0.00 O ATOM 612 CB VAL A 40 1.188 2.939 -1.395 1.00 0.00 C ATOM 613 CG1 VAL A 40 0.596 1.649 -1.980 1.00 0.00 C ATOM 614 CG2 VAL A 40 2.612 3.041 -1.936 1.00 0.00 C ATOM 0 H VAL A 40 1.801 5.189 -0.464 1.00 0.00 H new ATOM 0 HA VAL A 40 0.276 4.268 -2.769 1.00 0.00 H new ATOM 0 HB VAL A 40 1.143 2.861 -0.309 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.231 0.804 -1.713 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.405 1.493 -1.577 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.541 1.733 -3.065 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.150 2.117 -1.722 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.581 3.201 -3.014 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.123 3.877 -1.459 1.00 0.00 H new ATOM 624 N TYR A 41 -1.994 3.860 -1.683 1.00 0.00 N ATOM 625 CA TYR A 41 -3.309 3.593 -1.130 1.00 0.00 C ATOM 626 C TYR A 41 -3.570 2.102 -1.260 1.00 0.00 C ATOM 627 O TYR A 41 -2.909 1.417 -2.045 1.00 0.00 O ATOM 628 CB TYR A 41 -4.360 4.435 -1.866 1.00 0.00 C ATOM 629 CG TYR A 41 -4.285 5.905 -1.504 1.00 0.00 C ATOM 630 CD1 TYR A 41 -3.230 6.693 -2.003 1.00 0.00 C ATOM 631 CD2 TYR A 41 -5.243 6.476 -0.642 1.00 0.00 C ATOM 632 CE1 TYR A 41 -3.154 8.059 -1.687 1.00 0.00 C ATOM 633 CE2 TYR A 41 -5.149 7.835 -0.298 1.00 0.00 C ATOM 634 CZ TYR A 41 -4.118 8.636 -0.830 1.00 0.00 C ATOM 635 OH TYR A 41 -4.064 9.950 -0.479 1.00 0.00 O ATOM 0 H TYR A 41 -1.947 3.703 -2.690 1.00 0.00 H new ATOM 0 HA TYR A 41 -3.364 3.870 -0.077 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -4.223 4.322 -2.941 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -5.354 4.056 -1.630 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -2.475 6.244 -2.632 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -6.046 5.871 -0.248 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -2.361 8.667 -2.098 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -5.871 8.269 0.378 1.00 0.00 H new ATOM 0 HH TYR A 41 -4.814 10.161 0.116 1.00 0.00 H new ATOM 645 N HIS A 42 -4.537 1.591 -0.509 1.00 0.00 N ATOM 646 CA HIS A 42 -5.121 0.292 -0.776 1.00 0.00 C ATOM 647 C HIS A 42 -6.628 0.406 -0.620 1.00 0.00 C ATOM 648 O HIS A 42 -7.119 1.290 0.097 1.00 0.00 O ATOM 649 CB HIS A 42 -4.485 -0.784 0.107 1.00 0.00 C ATOM 650 CG HIS A 42 -4.868 -0.798 1.566 1.00 0.00 C ATOM 651 ND1 HIS A 42 -5.970 -1.414 2.114 1.00 0.00 N ATOM 652 CD2 HIS A 42 -4.113 -0.327 2.604 1.00 0.00 C ATOM 653 CE1 HIS A 42 -5.871 -1.309 3.450 1.00 0.00 C ATOM 654 NE2 HIS A 42 -4.756 -0.643 3.801 1.00 0.00 N ATOM 0 H HIS A 42 -4.935 2.068 0.300 1.00 0.00 H new ATOM 0 HA HIS A 42 -4.916 -0.026 -1.798 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -4.733 -1.757 -0.316 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -3.402 -0.676 0.044 1.00 0.00 H new ATOM 0 HD1 HIS A 42 -6.725 -1.868 1.599 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -3.176 0.201 2.513 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -6.591 -1.707 4.150 1.00 0.00 H new ATOM 662 N THR A 43 -7.365 -0.466 -1.296 1.00 0.00 N ATOM 663 CA THR A 43 -8.802 -0.527 -1.135 1.00 0.00 C ATOM 664 C THR A 43 -9.124 -1.263 0.158 1.00 0.00 C ATOM 665 O THR A 43 -8.368 -2.120 0.630 1.00 0.00 O ATOM 666 CB THR A 43 -9.454 -1.152 -2.377 1.00 0.00 C ATOM 667 OG1 THR A 43 -8.942 -2.428 -2.681 1.00 0.00 O ATOM 668 CG2 THR A 43 -9.182 -0.238 -3.578 1.00 0.00 C ATOM 0 H THR A 43 -6.985 -1.140 -1.961 1.00 0.00 H new ATOM 0 HA THR A 43 -9.223 0.475 -1.052 1.00 0.00 H new ATOM 0 HB THR A 43 -10.518 -1.259 -2.167 1.00 0.00 H new ATOM 0 HG1 THR A 43 -9.507 -3.114 -2.269 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.638 -0.665 -4.471 1.00 0.00 H new ATOM 0 HG22 THR A 43 -9.608 0.747 -3.389 1.00 0.00 H new ATOM 0 HG23 THR A 43 -8.106 -0.145 -3.728 1.00 0.00 H new ATOM 676 N LEU A 44 -10.258 -0.903 0.751 1.00 0.00 N ATOM 677 CA LEU A 44 -10.777 -1.606 1.911 1.00 0.00 C ATOM 678 C LEU A 44 -11.181 -3.031 1.525 1.00 0.00 C ATOM 679 O LEU A 44 -10.870 -3.970 2.253 1.00 0.00 O ATOM 680 CB LEU A 44 -11.962 -0.838 2.514 1.00 0.00 C ATOM 681 CG LEU A 44 -11.623 0.606 2.944 1.00 0.00 C ATOM 682 CD1 LEU A 44 -12.856 1.212 3.617 1.00 0.00 C ATOM 683 CD2 LEU A 44 -10.476 0.690 3.951 1.00 0.00 C ATOM 0 H LEU A 44 -10.836 -0.122 0.441 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.996 -1.667 2.669 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -12.771 -0.808 1.784 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -12.334 -1.386 3.380 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.320 1.138 2.042 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -12.636 2.233 3.928 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -13.688 1.219 2.913 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -13.124 0.617 4.490 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -10.293 1.733 4.208 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -10.741 0.136 4.851 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -9.575 0.261 3.513 1.00 0.00 H new ATOM 695 N GLU A 45 -11.861 -3.195 0.388 1.00 0.00 N ATOM 696 CA GLU A 45 -12.399 -4.482 -0.048 1.00 0.00 C ATOM 697 C GLU A 45 -11.462 -5.146 -1.061 1.00 0.00 C ATOM 698 O GLU A 45 -10.480 -4.536 -1.500 1.00 0.00 O ATOM 699 CB GLU A 45 -13.802 -4.272 -0.634 1.00 0.00 C ATOM 700 CG GLU A 45 -14.788 -3.736 0.419 1.00 0.00 C ATOM 701 CD GLU A 45 -15.943 -3.009 -0.255 1.00 0.00 C ATOM 702 OE1 GLU A 45 -15.730 -1.857 -0.695 1.00 0.00 O ATOM 703 OE2 GLU A 45 -17.056 -3.588 -0.337 1.00 0.00 O ATOM 0 H GLU A 45 -12.054 -2.431 -0.260 1.00 0.00 H new ATOM 0 HA GLU A 45 -12.475 -5.153 0.808 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -13.746 -3.573 -1.468 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -14.174 -5.216 -1.033 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -15.171 -4.560 1.021 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -14.271 -3.059 1.099 1.00 0.00 H new ATOM 710 N SER A 46 -11.775 -6.399 -1.407 1.00 0.00 N ATOM 711 CA SER A 46 -10.946 -7.297 -2.196 1.00 0.00 C ATOM 712 C SER A 46 -11.383 -7.385 -3.673 1.00 0.00 C ATOM 713 O SER A 46 -12.573 -7.228 -3.975 1.00 0.00 O ATOM 714 CB SER A 46 -10.937 -8.678 -1.531 1.00 0.00 C ATOM 715 OG SER A 46 -12.172 -9.002 -0.915 1.00 0.00 O ATOM 0 H SER A 46 -12.657 -6.829 -1.128 1.00 0.00 H new ATOM 0 HA SER A 46 -9.935 -6.890 -2.219 1.00 0.00 H new ATOM 0 HB2 SER A 46 -10.701 -9.434 -2.279 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.144 -8.711 -0.783 1.00 0.00 H new ATOM 0 HG SER A 46 -12.111 -9.892 -0.509 1.00 0.00 H new ATOM 721 N PRO A 47 -10.462 -7.738 -4.590 1.00 0.00 N ATOM 722 CA PRO A 47 -9.031 -7.832 -4.331 1.00 0.00 C ATOM 723 C PRO A 47 -8.499 -6.454 -3.994 1.00 0.00 C ATOM 724 O PRO A 47 -9.054 -5.447 -4.427 1.00 0.00 O ATOM 725 CB PRO A 47 -8.423 -8.383 -5.604 1.00 0.00 C ATOM 726 CG PRO A 47 -9.343 -7.849 -6.698 1.00 0.00 C ATOM 727 CD PRO A 47 -10.713 -7.844 -6.020 1.00 0.00 C ATOM 0 HA PRO A 47 -8.788 -8.479 -3.488 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -7.397 -8.041 -5.740 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -8.397 -9.473 -5.598 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -9.049 -6.851 -7.022 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -9.332 -8.487 -7.582 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -11.317 -7.008 -6.371 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -11.264 -8.755 -6.251 1.00 0.00 H new ATOM 735 N VAL A 48 -7.513 -6.431 -3.106 1.00 0.00 N ATOM 736 CA VAL A 48 -7.033 -5.178 -2.586 1.00 0.00 C ATOM 737 C VAL A 48 -6.198 -4.565 -3.697 1.00 0.00 C ATOM 738 O VAL A 48 -5.090 -5.011 -3.997 1.00 0.00 O ATOM 739 CB VAL A 48 -6.304 -5.368 -1.263 1.00 0.00 C ATOM 740 CG1 VAL A 48 -5.644 -4.062 -0.835 1.00 0.00 C ATOM 741 CG2 VAL A 48 -7.265 -5.830 -0.156 1.00 0.00 C ATOM 0 H VAL A 48 -7.042 -7.259 -2.741 1.00 0.00 H new ATOM 0 HA VAL A 48 -7.839 -4.492 -2.327 1.00 0.00 H new ATOM 0 HB VAL A 48 -5.546 -6.137 -1.412 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.126 -4.210 0.112 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -4.928 -3.750 -1.595 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.406 -3.291 -0.716 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.713 -5.956 0.775 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -8.046 -5.082 -0.017 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.718 -6.779 -0.441 1.00 0.00 H new ATOM 751 N GLU A 49 -6.783 -3.562 -4.328 1.00 0.00 N ATOM 752 CA GLU A 49 -6.135 -2.777 -5.342 1.00 0.00 C ATOM 753 C GLU A 49 -5.265 -1.790 -4.591 1.00 0.00 C ATOM 754 O GLU A 49 -5.740 -0.918 -3.864 1.00 0.00 O ATOM 755 CB GLU A 49 -7.143 -2.123 -6.291 1.00 0.00 C ATOM 756 CG GLU A 49 -7.946 -3.216 -7.007 1.00 0.00 C ATOM 757 CD GLU A 49 -8.833 -2.686 -8.138 1.00 0.00 C ATOM 758 OE1 GLU A 49 -8.345 -2.498 -9.278 1.00 0.00 O ATOM 759 OE2 GLU A 49 -10.060 -2.535 -7.927 1.00 0.00 O ATOM 0 H GLU A 49 -7.742 -3.271 -4.139 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.523 -3.386 -6.007 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -7.813 -1.469 -5.734 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.623 -1.501 -7.020 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.255 -3.954 -7.414 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.571 -3.732 -6.278 1.00 0.00 H new ATOM 766 N PHE A 50 -3.967 -2.008 -4.704 1.00 0.00 N ATOM 767 CA PHE A 50 -2.972 -1.064 -4.243 1.00 0.00 C ATOM 768 C PHE A 50 -2.879 0.003 -5.321 1.00 0.00 C ATOM 769 O PHE A 50 -2.893 -0.343 -6.504 1.00 0.00 O ATOM 770 CB PHE A 50 -1.637 -1.793 -4.065 1.00 0.00 C ATOM 771 CG PHE A 50 -1.737 -2.986 -3.127 1.00 0.00 C ATOM 772 CD1 PHE A 50 -1.854 -2.781 -1.740 1.00 0.00 C ATOM 773 CD2 PHE A 50 -1.771 -4.301 -3.634 1.00 0.00 C ATOM 774 CE1 PHE A 50 -2.019 -3.875 -0.873 1.00 0.00 C ATOM 775 CE2 PHE A 50 -1.897 -5.394 -2.766 1.00 0.00 C ATOM 776 CZ PHE A 50 -2.044 -5.186 -1.384 1.00 0.00 C ATOM 0 H PHE A 50 -3.574 -2.852 -5.121 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.230 -0.615 -3.284 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.280 -2.131 -5.038 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.895 -1.094 -3.679 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -1.817 -1.779 -1.340 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.699 -4.467 -4.699 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.127 -3.709 0.189 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.881 -6.399 -3.160 1.00 0.00 H new ATOM 0 HZ PHE A 50 -2.175 -6.026 -0.719 1.00 0.00 H new ATOM 786 N HIS A 51 -2.740 1.272 -4.955 1.00 0.00 N ATOM 787 CA HIS A 51 -2.482 2.336 -5.918 1.00 0.00 C ATOM 788 C HIS A 51 -1.275 3.117 -5.450 1.00 0.00 C ATOM 789 O HIS A 51 -0.977 3.118 -4.258 1.00 0.00 O ATOM 790 CB HIS A 51 -3.660 3.310 -6.083 1.00 0.00 C ATOM 791 CG HIS A 51 -5.038 2.763 -5.830 1.00 0.00 C ATOM 792 ND1 HIS A 51 -6.010 3.341 -5.042 1.00 0.00 N ATOM 793 CD2 HIS A 51 -5.564 1.633 -6.384 1.00 0.00 C ATOM 794 CE1 HIS A 51 -7.100 2.560 -5.112 1.00 0.00 C ATOM 795 NE2 HIS A 51 -6.890 1.536 -5.959 1.00 0.00 N ATOM 0 H HIS A 51 -2.802 1.591 -3.988 1.00 0.00 H new ATOM 0 HA HIS A 51 -2.319 1.864 -6.887 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -3.501 4.152 -5.409 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -3.633 3.705 -7.099 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -5.049 0.940 -7.033 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -8.016 2.730 -4.566 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -7.568 0.826 -6.237 1.00 0.00 H new ATOM 803 N LEU A 52 -0.634 3.836 -6.360 1.00 0.00 N ATOM 804 CA LEU A 52 0.338 4.865 -6.015 1.00 0.00 C ATOM 805 C LEU A 52 0.258 5.979 -7.034 1.00 0.00 C ATOM 806 O LEU A 52 0.433 5.704 -8.219 1.00 0.00 O ATOM 807 CB LEU A 52 1.759 4.286 -6.000 1.00 0.00 C ATOM 808 CG LEU A 52 2.862 5.344 -5.798 1.00 0.00 C ATOM 809 CD1 LEU A 52 2.674 6.170 -4.522 1.00 0.00 C ATOM 810 CD2 LEU A 52 4.222 4.642 -5.741 1.00 0.00 C ATOM 0 H LEU A 52 -0.774 3.722 -7.364 1.00 0.00 H new ATOM 0 HA LEU A 52 0.111 5.248 -5.020 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.830 3.544 -5.204 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.938 3.764 -6.940 1.00 0.00 H new ATOM 0 HG LEU A 52 2.805 6.034 -6.640 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.482 6.897 -4.437 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.719 6.693 -4.565 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.688 5.509 -3.655 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.008 5.383 -5.598 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.233 3.937 -4.910 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.394 4.106 -6.674 1.00 0.00 H new ATOM 822 N ASP A 53 0.015 7.211 -6.579 1.00 0.00 N ATOM 823 CA ASP A 53 0.044 8.476 -7.331 1.00 0.00 C ATOM 824 C ASP A 53 -1.093 8.576 -8.362 1.00 0.00 C ATOM 825 O ASP A 53 -1.592 9.662 -8.659 1.00 0.00 O ATOM 826 CB ASP A 53 1.459 8.696 -7.908 1.00 0.00 C ATOM 827 CG ASP A 53 1.635 9.996 -8.706 1.00 0.00 C ATOM 828 OD1 ASP A 53 1.114 11.054 -8.288 1.00 0.00 O ATOM 829 OD2 ASP A 53 2.427 9.986 -9.675 1.00 0.00 O ATOM 0 H ASP A 53 -0.226 7.366 -5.600 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.156 9.305 -6.653 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.176 8.691 -7.087 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.708 7.854 -8.554 1.00 0.00 H new ATOM 834 N GLY A 54 -1.633 7.435 -8.781 1.00 0.00 N ATOM 835 CA GLY A 54 -2.713 7.246 -9.722 1.00 0.00 C ATOM 836 C GLY A 54 -2.564 5.929 -10.488 1.00 0.00 C ATOM 837 O GLY A 54 -3.485 5.552 -11.213 1.00 0.00 O ATOM 0 H GLY A 54 -1.287 6.541 -8.433 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.665 7.254 -9.191 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.733 8.078 -10.426 1.00 0.00 H new ATOM 841 N GLU A 55 -1.448 5.209 -10.349 1.00 0.00 N ATOM 842 CA GLU A 55 -1.243 3.892 -10.932 1.00 0.00 C ATOM 843 C GLU A 55 -1.770 2.878 -9.937 1.00 0.00 C ATOM 844 O GLU A 55 -1.221 2.725 -8.850 1.00 0.00 O ATOM 845 CB GLU A 55 0.243 3.640 -11.244 1.00 0.00 C ATOM 846 CG GLU A 55 0.529 4.026 -12.694 1.00 0.00 C ATOM 847 CD GLU A 55 2.023 3.974 -13.034 1.00 0.00 C ATOM 848 OE1 GLU A 55 2.588 2.860 -13.162 1.00 0.00 O ATOM 849 OE2 GLU A 55 2.643 5.037 -13.262 1.00 0.00 O ATOM 0 H GLU A 55 -0.645 5.539 -9.813 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.773 3.812 -11.881 1.00 0.00 H new ATOM 0 HB2 GLU A 55 0.871 4.222 -10.570 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.488 2.590 -11.080 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.015 3.355 -13.359 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.153 5.032 -12.879 1.00 0.00 H new ATOM 856 N VAL A 56 -2.853 2.204 -10.296 1.00 0.00 N ATOM 857 CA VAL A 56 -3.211 0.939 -9.657 1.00 0.00 C ATOM 858 C VAL A 56 -2.084 -0.051 -9.963 1.00 0.00 C ATOM 859 O VAL A 56 -1.694 -0.209 -11.122 1.00 0.00 O ATOM 860 CB VAL A 56 -4.589 0.426 -10.118 1.00 0.00 C ATOM 861 CG1 VAL A 56 -4.893 -0.939 -9.480 1.00 0.00 C ATOM 862 CG2 VAL A 56 -5.717 1.409 -9.755 1.00 0.00 C ATOM 0 H VAL A 56 -3.500 2.508 -11.024 1.00 0.00 H new ATOM 0 HA VAL A 56 -3.311 1.070 -8.580 1.00 0.00 H new ATOM 0 HB VAL A 56 -4.548 0.331 -11.203 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -5.870 -1.288 -9.815 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -4.129 -1.658 -9.777 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -4.896 -0.841 -8.394 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -6.672 1.010 -10.098 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -5.747 1.545 -8.674 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -5.532 2.369 -10.236 1.00 0.00 H new ATOM 872 N LEU A 57 -1.543 -0.681 -8.921 1.00 0.00 N ATOM 873 CA LEU A 57 -0.435 -1.618 -8.986 1.00 0.00 C ATOM 874 C LEU A 57 -0.982 -3.037 -8.824 1.00 0.00 C ATOM 875 O LEU A 57 -2.181 -3.238 -8.614 1.00 0.00 O ATOM 876 CB LEU A 57 0.593 -1.283 -7.884 1.00 0.00 C ATOM 877 CG LEU A 57 0.906 0.222 -7.721 1.00 0.00 C ATOM 878 CD1 LEU A 57 1.786 0.440 -6.488 1.00 0.00 C ATOM 879 CD2 LEU A 57 1.546 0.791 -8.992 1.00 0.00 C ATOM 0 H LEU A 57 -1.884 -0.542 -7.970 1.00 0.00 H new ATOM 0 HA LEU A 57 0.071 -1.545 -9.949 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.223 -1.667 -6.933 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.522 -1.811 -8.101 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.027 0.765 -7.569 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.003 1.503 -6.379 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.263 0.083 -5.600 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.719 -0.111 -6.605 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.756 1.851 -8.850 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.476 0.261 -9.200 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.862 0.666 -9.831 1.00 0.00 H new ATOM 891 N SER A 58 -0.098 -4.031 -8.861 1.00 0.00 N ATOM 892 CA SER A 58 -0.399 -5.394 -8.463 1.00 0.00 C ATOM 893 C SER A 58 0.537 -5.781 -7.321 1.00 0.00 C ATOM 894 O SER A 58 1.485 -5.050 -7.026 1.00 0.00 O ATOM 895 CB SER A 58 -0.305 -6.295 -9.692 1.00 0.00 C ATOM 896 OG SER A 58 -1.497 -6.196 -10.456 1.00 0.00 O ATOM 0 H SER A 58 0.864 -3.904 -9.175 1.00 0.00 H new ATOM 0 HA SER A 58 -1.414 -5.504 -8.082 1.00 0.00 H new ATOM 0 HB2 SER A 58 0.552 -6.007 -10.300 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.144 -7.328 -9.385 1.00 0.00 H new ATOM 0 HG SER A 58 -1.430 -6.775 -11.244 1.00 0.00 H new ATOM 902 N LEU A 59 0.240 -6.883 -6.630 1.00 0.00 N ATOM 903 CA LEU A 59 0.842 -7.194 -5.332 1.00 0.00 C ATOM 904 C LEU A 59 2.334 -7.453 -5.492 1.00 0.00 C ATOM 905 O LEU A 59 3.142 -7.013 -4.681 1.00 0.00 O ATOM 906 CB LEU A 59 0.136 -8.413 -4.701 1.00 0.00 C ATOM 907 CG LEU A 59 0.826 -8.968 -3.433 1.00 0.00 C ATOM 908 CD1 LEU A 59 0.842 -7.951 -2.289 1.00 0.00 C ATOM 909 CD2 LEU A 59 0.129 -10.237 -2.931 1.00 0.00 C ATOM 0 H LEU A 59 -0.425 -7.585 -6.954 1.00 0.00 H new ATOM 0 HA LEU A 59 0.715 -6.340 -4.666 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.887 -8.134 -4.450 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.077 -9.208 -5.445 1.00 0.00 H new ATOM 0 HG LEU A 59 1.851 -9.193 -3.727 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.337 -8.387 -1.421 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.382 -7.058 -2.604 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.181 -7.683 -2.026 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.637 -10.603 -2.039 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.910 -10.010 -2.690 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.163 -11.002 -3.707 1.00 0.00 H new ATOM 921 N ASP A 60 2.687 -8.198 -6.531 1.00 0.00 N ATOM 922 CA ASP A 60 4.064 -8.595 -6.792 1.00 0.00 C ATOM 923 C ASP A 60 4.891 -7.393 -7.245 1.00 0.00 C ATOM 924 O ASP A 60 6.035 -7.221 -6.812 1.00 0.00 O ATOM 925 CB ASP A 60 4.056 -9.718 -7.842 1.00 0.00 C ATOM 926 CG ASP A 60 4.729 -10.995 -7.336 1.00 0.00 C ATOM 927 OD1 ASP A 60 5.804 -10.896 -6.700 1.00 0.00 O ATOM 928 OD2 ASP A 60 4.123 -12.084 -7.500 1.00 0.00 O ATOM 0 H ASP A 60 2.021 -8.546 -7.221 1.00 0.00 H new ATOM 0 HA ASP A 60 4.530 -8.970 -5.881 1.00 0.00 H new ATOM 0 HB2 ASP A 60 3.027 -9.940 -8.124 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.566 -9.374 -8.742 1.00 0.00 H new ATOM 933 N LYS A 61 4.290 -6.527 -8.065 1.00 0.00 N ATOM 934 CA LYS A 61 4.859 -5.262 -8.510 1.00 0.00 C ATOM 935 C LYS A 61 5.125 -4.399 -7.302 1.00 0.00 C ATOM 936 O LYS A 61 6.259 -3.969 -7.134 1.00 0.00 O ATOM 937 CB LYS A 61 3.901 -4.551 -9.491 1.00 0.00 C ATOM 938 CG LYS A 61 4.405 -4.697 -10.930 1.00 0.00 C ATOM 939 CD LYS A 61 3.399 -4.175 -11.956 1.00 0.00 C ATOM 940 CE LYS A 61 3.986 -4.322 -13.366 1.00 0.00 C ATOM 941 NZ LYS A 61 3.064 -3.811 -14.403 1.00 0.00 N ATOM 0 H LYS A 61 3.360 -6.698 -8.448 1.00 0.00 H new ATOM 0 HA LYS A 61 5.794 -5.446 -9.038 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.901 -4.976 -9.404 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.823 -3.495 -9.232 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.345 -4.156 -11.039 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.616 -5.747 -11.133 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.464 -4.730 -11.880 1.00 0.00 H new ATOM 0 HD3 LYS A 61 3.166 -3.129 -11.754 1.00 0.00 H new ATOM 0 HE2 LYS A 61 4.932 -3.783 -13.424 1.00 0.00 H new ATOM 0 HE3 LYS A 61 4.205 -5.372 -13.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.497 -3.928 -15.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.171 -4.342 -14.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.875 -2.803 -14.233 1.00 0.00 H new ATOM 955 N LEU A 62 4.105 -4.161 -6.474 1.00 0.00 N ATOM 956 CA LEU A 62 4.152 -3.258 -5.337 1.00 0.00 C ATOM 957 C LEU A 62 5.428 -3.479 -4.547 1.00 0.00 C ATOM 958 O LEU A 62 6.189 -2.533 -4.389 1.00 0.00 O ATOM 959 CB LEU A 62 2.900 -3.418 -4.473 1.00 0.00 C ATOM 960 CG LEU A 62 2.935 -2.589 -3.174 1.00 0.00 C ATOM 961 CD1 LEU A 62 3.090 -1.083 -3.431 1.00 0.00 C ATOM 962 CD2 LEU A 62 1.623 -2.758 -2.411 1.00 0.00 C ATOM 0 H LEU A 62 3.196 -4.610 -6.586 1.00 0.00 H new ATOM 0 HA LEU A 62 4.163 -2.228 -5.695 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.027 -3.126 -5.056 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.777 -4.471 -4.219 1.00 0.00 H new ATOM 0 HG LEU A 62 3.794 -2.955 -2.612 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.108 -0.552 -2.480 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.021 -0.899 -3.967 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.251 -0.728 -4.029 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.657 -2.169 -1.495 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.795 -2.417 -3.032 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.480 -3.809 -2.161 1.00 0.00 H new ATOM 974 N LYS A 63 5.731 -4.709 -4.123 1.00 0.00 N ATOM 975 CA LYS A 63 6.949 -4.952 -3.352 1.00 0.00 C ATOM 976 C LYS A 63 8.197 -4.428 -4.060 1.00 0.00 C ATOM 977 O LYS A 63 9.028 -3.742 -3.468 1.00 0.00 O ATOM 978 CB LYS A 63 7.159 -6.446 -3.085 1.00 0.00 C ATOM 979 CG LYS A 63 5.996 -7.094 -2.347 1.00 0.00 C ATOM 980 CD LYS A 63 6.236 -8.585 -2.170 1.00 0.00 C ATOM 981 CE LYS A 63 5.004 -9.177 -1.493 1.00 0.00 C ATOM 982 NZ LYS A 63 5.017 -10.642 -1.609 1.00 0.00 N ATOM 0 H LYS A 63 5.161 -5.537 -4.297 1.00 0.00 H new ATOM 0 HA LYS A 63 6.810 -4.416 -2.413 1.00 0.00 H new ATOM 0 HB2 LYS A 63 7.310 -6.960 -4.034 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.070 -6.579 -2.502 1.00 0.00 H new ATOM 0 HG2 LYS A 63 5.869 -6.623 -1.372 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.072 -6.933 -2.902 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.408 -9.062 -3.135 1.00 0.00 H new ATOM 0 HD3 LYS A 63 7.126 -8.760 -1.565 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.983 -8.888 -0.442 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.100 -8.776 -1.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.173 -11.035 -1.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.016 -10.911 -2.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.871 -11.019 -1.151 1.00 0.00 H new ATOM 996 N SER A 64 8.312 -4.757 -5.345 1.00 0.00 N ATOM 997 CA SER A 64 9.409 -4.348 -6.198 1.00 0.00 C ATOM 998 C SER A 64 9.483 -2.820 -6.290 1.00 0.00 C ATOM 999 O SER A 64 10.585 -2.274 -6.277 1.00 0.00 O ATOM 1000 CB SER A 64 9.261 -5.005 -7.576 1.00 0.00 C ATOM 1001 OG SER A 64 10.504 -5.064 -8.252 1.00 0.00 O ATOM 0 H SER A 64 7.622 -5.332 -5.828 1.00 0.00 H new ATOM 0 HA SER A 64 10.352 -4.683 -5.765 1.00 0.00 H new ATOM 0 HB2 SER A 64 8.859 -6.012 -7.460 1.00 0.00 H new ATOM 0 HB3 SER A 64 8.545 -4.442 -8.175 1.00 0.00 H new ATOM 0 HG SER A 64 10.381 -5.489 -9.127 1.00 0.00 H new ATOM 1007 N LEU A 65 8.335 -2.141 -6.374 1.00 0.00 N ATOM 1008 CA LEU A 65 8.224 -0.688 -6.454 1.00 0.00 C ATOM 1009 C LEU A 65 8.542 -0.001 -5.131 1.00 0.00 C ATOM 1010 O LEU A 65 9.004 1.144 -5.137 1.00 0.00 O ATOM 1011 CB LEU A 65 6.803 -0.282 -6.873 1.00 0.00 C ATOM 1012 CG LEU A 65 6.284 -0.787 -8.229 1.00 0.00 C ATOM 1013 CD1 LEU A 65 4.968 -0.081 -8.525 1.00 0.00 C ATOM 1014 CD2 LEU A 65 7.282 -0.583 -9.369 1.00 0.00 C ATOM 0 H LEU A 65 7.428 -2.607 -6.388 1.00 0.00 H new ATOM 0 HA LEU A 65 8.955 -0.368 -7.196 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.115 -0.627 -6.101 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.754 0.807 -6.880 1.00 0.00 H new ATOM 0 HG LEU A 65 6.137 -1.865 -8.161 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.579 -0.423 -9.484 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.248 -0.309 -7.739 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.133 0.996 -8.564 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.855 -0.960 -10.298 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.501 0.480 -9.475 1.00 0.00 H new ATOM 0 HD23 LEU A 65 8.203 -1.123 -9.147 1.00 0.00 H new ATOM 1026 N LEU A 66 8.268 -0.659 -4.004 1.00 0.00 N ATOM 1027 CA LEU A 66 8.535 -0.127 -2.676 1.00 0.00 C ATOM 1028 C LEU A 66 10.030 -0.151 -2.363 1.00 0.00 C ATOM 1029 O LEU A 66 10.460 0.570 -1.461 1.00 0.00 O ATOM 1030 CB LEU A 66 7.768 -0.912 -1.603 1.00 0.00 C ATOM 1031 CG LEU A 66 6.243 -0.723 -1.665 1.00 0.00 C ATOM 1032 CD1 LEU A 66 5.550 -1.706 -0.731 1.00 0.00 C ATOM 1033 CD2 LEU A 66 5.809 0.683 -1.288 1.00 0.00 C ATOM 0 H LEU A 66 7.849 -1.589 -3.993 1.00 0.00 H new ATOM 0 HA LEU A 66 8.193 0.908 -2.666 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.998 -1.972 -1.709 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.123 -0.605 -0.619 1.00 0.00 H new ATOM 0 HG LEU A 66 5.955 -0.904 -2.701 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.471 -1.561 -0.785 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.794 -2.725 -1.029 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.888 -1.536 0.291 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.723 0.757 -1.350 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.131 0.902 -0.270 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.261 1.400 -1.974 1.00 0.00 H new ATOM 1045 N SER A 67 10.812 -0.948 -3.087 1.00 0.00 N ATOM 1046 CA SER A 67 12.263 -0.833 -3.079 1.00 0.00 C ATOM 1047 C SER A 67 12.658 0.546 -3.639 1.00 0.00 C ATOM 1048 O SER A 67 13.015 1.434 -2.839 1.00 0.00 O ATOM 1049 CB SER A 67 12.821 -2.005 -3.889 1.00 0.00 C ATOM 1050 OG SER A 67 13.746 -2.790 -3.159 1.00 0.00 O ATOM 0 H SER A 67 10.457 -1.688 -3.693 1.00 0.00 H new ATOM 0 HA SER A 67 12.683 -0.889 -2.075 1.00 0.00 H new ATOM 0 HB2 SER A 67 11.996 -2.637 -4.219 1.00 0.00 H new ATOM 0 HB3 SER A 67 13.307 -1.621 -4.786 1.00 0.00 H new ATOM 0 HG SER A 67 14.069 -3.524 -3.723 1.00 0.00 H new