USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 384 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 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 38:sc= 0.177 USER MOD Single : A 9 SER OG : rot -3:sc= 0.844 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.0021) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.0188 X(o=-0.019,f=-0.046) USER MOD Single : A 20 SER OG : rot -89:sc= 1.23 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl -154:sc= -10.2! (180deg=-11.7!) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.664 K(o=-0.66,f=-1.5) USER MOD Single : A 29 MET CE :methyl -127:sc= -0.878 (180deg=-4.18!) USER MOD Single : A 33 ASN : amide:sc= -0.449 K(o=-0.45,f=-3.1!) USER MOD Single : A 34 TYR OH : rot 149:sc= -3.41! USER MOD Single : A 35 ASN : amide:sc=-0.00262 X(o=-0.0026,f=-0.0075) USER MOD Single : A 37 ASN : amide:sc= -4.33! C(o=-4.3!,f=-11!) USER MOD Single : A 39 GLN : amide:sc=-0.000523 X(o=-0.00052,f=0) USER MOD Single : A 44 THR OG1 : rot 0:sc= 0.413 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0378 USER MOD Single : A 49 ASN : amide:sc= -0.0209 X(o=-0.021,f=-0.023) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 152:sc= -0.679 (180deg=-1.15) USER MOD Single : A 56 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00441) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.246 K(o=-0.25,f=-1.6!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 21.291 2.801 -9.534 1.00 0.00 N ATOM 2 CA GLY A 1 21.934 2.648 -8.240 1.00 0.00 C ATOM 3 C GLY A 1 21.447 1.382 -7.532 1.00 0.00 C ATOM 4 O GLY A 1 20.250 1.214 -7.305 1.00 0.00 O ATOM 0 H1 GLY A 1 21.638 3.667 -9.994 1.00 0.00 H new ATOM 0 H2 GLY A 1 21.513 1.979 -10.131 1.00 0.00 H new ATOM 0 H3 GLY A 1 20.261 2.867 -9.404 1.00 0.00 H new ATOM 0 HA2 GLY A 1 23.015 2.603 -8.370 1.00 0.00 H new ATOM 0 HA3 GLY A 1 21.724 3.519 -7.620 1.00 0.00 H new ATOM 8 N SER A 2 22.400 0.522 -7.202 1.00 0.00 N ATOM 9 CA SER A 2 22.083 -0.724 -6.525 1.00 0.00 C ATOM 10 C SER A 2 21.778 -0.454 -5.050 1.00 0.00 C ATOM 11 O SER A 2 22.664 -0.544 -4.202 1.00 0.00 O ATOM 12 CB SER A 2 23.230 -1.727 -6.655 1.00 0.00 C ATOM 13 OG SER A 2 22.876 -2.841 -7.470 1.00 0.00 O ATOM 0 H SER A 2 23.392 0.664 -7.391 1.00 0.00 H new ATOM 0 HA SER A 2 21.202 -1.157 -6.998 1.00 0.00 H new ATOM 0 HB2 SER A 2 24.101 -1.229 -7.081 1.00 0.00 H new ATOM 0 HB3 SER A 2 23.517 -2.079 -5.664 1.00 0.00 H new ATOM 0 HG SER A 2 23.636 -3.457 -7.529 1.00 0.00 H new ATOM 18 N SER A 3 20.520 -0.129 -4.790 1.00 0.00 N ATOM 19 CA SER A 3 20.086 0.154 -3.432 1.00 0.00 C ATOM 20 C SER A 3 20.978 1.232 -2.812 1.00 0.00 C ATOM 21 O SER A 3 22.086 0.944 -2.363 1.00 0.00 O ATOM 22 CB SER A 3 20.107 -1.111 -2.572 1.00 0.00 C ATOM 23 OG SER A 3 19.240 -1.007 -1.447 1.00 0.00 O ATOM 0 H SER A 3 19.788 -0.055 -5.496 1.00 0.00 H new ATOM 0 HA SER A 3 19.059 0.518 -3.470 1.00 0.00 H new ATOM 0 HB2 SER A 3 19.812 -1.967 -3.179 1.00 0.00 H new ATOM 0 HB3 SER A 3 21.124 -1.299 -2.229 1.00 0.00 H new ATOM 0 HG SER A 3 19.281 -1.835 -0.925 1.00 0.00 H new ATOM 28 N GLY A 4 20.459 2.451 -2.807 1.00 0.00 N ATOM 29 CA GLY A 4 21.194 3.574 -2.250 1.00 0.00 C ATOM 30 C GLY A 4 21.583 4.573 -3.342 1.00 0.00 C ATOM 31 O GLY A 4 22.667 4.481 -3.914 1.00 0.00 O ATOM 0 H GLY A 4 19.539 2.686 -3.180 1.00 0.00 H new ATOM 0 HA2 GLY A 4 20.585 4.073 -1.496 1.00 0.00 H new ATOM 0 HA3 GLY A 4 22.091 3.212 -1.747 1.00 0.00 H new ATOM 35 N SER A 5 20.674 5.502 -3.599 1.00 0.00 N ATOM 36 CA SER A 5 20.907 6.517 -4.613 1.00 0.00 C ATOM 37 C SER A 5 20.138 7.792 -4.264 1.00 0.00 C ATOM 38 O SER A 5 20.733 8.858 -4.112 1.00 0.00 O ATOM 39 CB SER A 5 20.500 6.013 -5.999 1.00 0.00 C ATOM 40 OG SER A 5 20.673 7.012 -7.001 1.00 0.00 O ATOM 0 H SER A 5 19.775 5.573 -3.123 1.00 0.00 H new ATOM 0 HA SER A 5 21.974 6.740 -4.636 1.00 0.00 H new ATOM 0 HB2 SER A 5 21.094 5.136 -6.255 1.00 0.00 H new ATOM 0 HB3 SER A 5 19.457 5.697 -5.978 1.00 0.00 H new ATOM 0 HG SER A 5 20.404 6.652 -7.872 1.00 0.00 H new ATOM 45 N SER A 6 18.827 7.641 -4.146 1.00 0.00 N ATOM 46 CA SER A 6 17.970 8.767 -3.818 1.00 0.00 C ATOM 47 C SER A 6 16.835 8.311 -2.900 1.00 0.00 C ATOM 48 O SER A 6 16.053 7.432 -3.263 1.00 0.00 O ATOM 49 CB SER A 6 17.402 9.414 -5.083 1.00 0.00 C ATOM 50 OG SER A 6 16.738 8.467 -5.916 1.00 0.00 O ATOM 0 H SER A 6 18.337 6.755 -4.272 1.00 0.00 H new ATOM 0 HA SER A 6 18.571 9.514 -3.299 1.00 0.00 H new ATOM 0 HB2 SER A 6 16.704 10.203 -4.804 1.00 0.00 H new ATOM 0 HB3 SER A 6 18.210 9.886 -5.643 1.00 0.00 H new ATOM 0 HG SER A 6 16.246 7.829 -5.358 1.00 0.00 H new ATOM 55 N GLY A 7 16.778 8.927 -1.729 1.00 0.00 N ATOM 56 CA GLY A 7 15.751 8.595 -0.755 1.00 0.00 C ATOM 57 C GLY A 7 14.419 9.252 -1.120 1.00 0.00 C ATOM 58 O GLY A 7 14.349 10.047 -2.056 1.00 0.00 O ATOM 0 H GLY A 7 17.427 9.655 -1.432 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.626 7.513 -0.707 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.064 8.924 0.236 1.00 0.00 H new ATOM 62 N PRO A 8 13.365 8.885 -0.342 1.00 0.00 N ATOM 63 CA PRO A 8 12.038 9.429 -0.573 1.00 0.00 C ATOM 64 C PRO A 8 11.945 10.874 -0.079 1.00 0.00 C ATOM 65 O PRO A 8 11.757 11.116 1.113 1.00 0.00 O ATOM 66 CB PRO A 8 11.094 8.489 0.158 1.00 0.00 C ATOM 67 CG PRO A 8 11.954 7.724 1.152 1.00 0.00 C ATOM 68 CD PRO A 8 13.410 7.945 0.775 1.00 0.00 C ATOM 0 HA PRO A 8 11.784 9.482 -1.632 1.00 0.00 H new ATOM 0 HB2 PRO A 8 10.307 9.045 0.669 1.00 0.00 H new ATOM 0 HB3 PRO A 8 10.603 7.809 -0.538 1.00 0.00 H new ATOM 0 HG2 PRO A 8 11.765 8.072 2.167 1.00 0.00 H new ATOM 0 HG3 PRO A 8 11.711 6.662 1.129 1.00 0.00 H new ATOM 0 HD2 PRO A 8 13.978 8.351 1.612 1.00 0.00 H new ATOM 0 HD3 PRO A 8 13.891 7.010 0.487 1.00 0.00 H new ATOM 73 N SER A 9 12.080 11.798 -1.019 1.00 0.00 N ATOM 74 CA SER A 9 12.013 13.212 -0.693 1.00 0.00 C ATOM 75 C SER A 9 10.726 13.818 -1.257 1.00 0.00 C ATOM 76 O SER A 9 10.579 13.955 -2.471 1.00 0.00 O ATOM 77 CB SER A 9 13.233 13.960 -1.235 1.00 0.00 C ATOM 78 OG SER A 9 13.123 14.222 -2.631 1.00 0.00 O ATOM 0 H SER A 9 12.235 11.595 -2.006 1.00 0.00 H new ATOM 0 HA SER A 9 12.010 13.313 0.392 1.00 0.00 H new ATOM 0 HB2 SER A 9 13.349 14.901 -0.698 1.00 0.00 H new ATOM 0 HB3 SER A 9 14.132 13.372 -1.046 1.00 0.00 H new ATOM 0 HG SER A 9 12.295 13.826 -2.974 1.00 0.00 H new ATOM 83 N HIS A 10 9.827 14.166 -0.348 1.00 0.00 N ATOM 84 CA HIS A 10 8.557 14.754 -0.739 1.00 0.00 C ATOM 85 C HIS A 10 7.954 13.953 -1.895 1.00 0.00 C ATOM 86 O HIS A 10 7.793 14.473 -2.998 1.00 0.00 O ATOM 87 CB HIS A 10 8.725 16.238 -1.070 1.00 0.00 C ATOM 88 CG HIS A 10 8.078 17.168 -0.072 1.00 0.00 C ATOM 89 ND1 HIS A 10 8.805 17.917 0.837 1.00 0.00 N ATOM 90 CD2 HIS A 10 6.764 17.461 0.151 1.00 0.00 C ATOM 91 CE1 HIS A 10 7.957 18.626 1.568 1.00 0.00 C ATOM 92 NE2 HIS A 10 6.693 18.341 1.143 1.00 0.00 N ATOM 0 H HIS A 10 9.953 14.052 0.658 1.00 0.00 H new ATOM 0 HA HIS A 10 7.857 14.704 0.095 1.00 0.00 H new ATOM 0 HB2 HIS A 10 9.789 16.468 -1.129 1.00 0.00 H new ATOM 0 HB3 HIS A 10 8.302 16.430 -2.056 1.00 0.00 H new ATOM 0 HD2 HIS A 10 5.924 17.047 -0.388 1.00 0.00 H new ATOM 0 HE1 HIS A 10 8.221 19.310 2.361 1.00 0.00 H new ATOM 0 HE2 HIS A 10 5.834 18.738 1.524 1.00 0.00 H new ATOM 99 N SER A 11 7.638 12.700 -1.603 1.00 0.00 N ATOM 100 CA SER A 11 7.056 11.822 -2.604 1.00 0.00 C ATOM 101 C SER A 11 8.025 11.652 -3.777 1.00 0.00 C ATOM 102 O SER A 11 8.919 12.474 -3.972 1.00 0.00 O ATOM 103 CB SER A 11 5.714 12.363 -3.099 1.00 0.00 C ATOM 104 OG SER A 11 4.860 12.738 -2.021 1.00 0.00 O ATOM 0 H SER A 11 7.774 12.272 -0.687 1.00 0.00 H new ATOM 0 HA SER A 11 6.877 10.850 -2.144 1.00 0.00 H new ATOM 0 HB2 SER A 11 5.886 13.226 -3.743 1.00 0.00 H new ATOM 0 HB3 SER A 11 5.219 11.605 -3.707 1.00 0.00 H new ATOM 0 HG SER A 11 4.014 13.080 -2.378 1.00 0.00 H new ATOM 109 N LEU A 12 7.814 10.581 -4.527 1.00 0.00 N ATOM 110 CA LEU A 12 8.656 10.293 -5.674 1.00 0.00 C ATOM 111 C LEU A 12 7.816 9.622 -6.763 1.00 0.00 C ATOM 112 O LEU A 12 6.655 9.286 -6.537 1.00 0.00 O ATOM 113 CB LEU A 12 9.879 9.475 -5.250 1.00 0.00 C ATOM 114 CG LEU A 12 11.240 10.057 -5.637 1.00 0.00 C ATOM 115 CD1 LEU A 12 12.216 9.995 -4.460 1.00 0.00 C ATOM 116 CD2 LEU A 12 11.799 9.362 -6.881 1.00 0.00 C ATOM 0 H LEU A 12 7.071 9.902 -4.362 1.00 0.00 H new ATOM 0 HA LEU A 12 9.050 11.217 -6.098 1.00 0.00 H new ATOM 0 HB2 LEU A 12 9.853 9.353 -4.167 1.00 0.00 H new ATOM 0 HB3 LEU A 12 9.794 8.479 -5.685 1.00 0.00 H new ATOM 0 HG LEU A 12 11.104 11.109 -5.889 1.00 0.00 H new ATOM 0 HD11 LEU A 12 13.176 10.415 -4.761 1.00 0.00 H new ATOM 0 HD12 LEU A 12 11.815 10.569 -3.624 1.00 0.00 H new ATOM 0 HD13 LEU A 12 12.353 8.957 -4.155 1.00 0.00 H new ATOM 0 HD21 LEU A 12 12.767 9.794 -7.135 1.00 0.00 H new ATOM 0 HD22 LEU A 12 11.918 8.297 -6.680 1.00 0.00 H new ATOM 0 HD23 LEU A 12 11.110 9.499 -7.715 1.00 0.00 H new ATOM 127 N GLN A 13 8.436 9.447 -7.921 1.00 0.00 N ATOM 128 CA GLN A 13 7.761 8.821 -9.045 1.00 0.00 C ATOM 129 C GLN A 13 7.301 7.411 -8.671 1.00 0.00 C ATOM 130 O GLN A 13 7.622 6.916 -7.592 1.00 0.00 O ATOM 131 CB GLN A 13 8.661 8.795 -10.281 1.00 0.00 C ATOM 132 CG GLN A 13 9.697 7.673 -10.180 1.00 0.00 C ATOM 133 CD GLN A 13 10.973 8.034 -10.945 1.00 0.00 C ATOM 134 OE1 GLN A 13 11.668 8.986 -10.630 1.00 0.00 O ATOM 135 NE2 GLN A 13 11.240 7.223 -11.964 1.00 0.00 N ATOM 0 H GLN A 13 9.399 9.728 -8.105 1.00 0.00 H new ATOM 0 HA GLN A 13 6.881 9.415 -9.291 1.00 0.00 H new ATOM 0 HB2 GLN A 13 8.053 8.655 -11.175 1.00 0.00 H new ATOM 0 HB3 GLN A 13 9.167 9.754 -10.387 1.00 0.00 H new ATOM 0 HG2 GLN A 13 9.937 7.488 -9.133 1.00 0.00 H new ATOM 0 HG3 GLN A 13 9.278 6.749 -10.580 1.00 0.00 H new ATOM 0 HE21 GLN A 13 10.616 6.444 -12.173 1.00 0.00 H new ATOM 0 HE22 GLN A 13 12.069 7.380 -12.537 1.00 0.00 H new ATOM 142 N ALA A 14 6.557 6.804 -9.584 1.00 0.00 N ATOM 143 CA ALA A 14 6.050 5.460 -9.364 1.00 0.00 C ATOM 144 C ALA A 14 5.176 5.449 -8.108 1.00 0.00 C ATOM 145 O ALA A 14 5.348 6.283 -7.220 1.00 0.00 O ATOM 146 CB ALA A 14 7.223 4.482 -9.266 1.00 0.00 C ATOM 0 H ALA A 14 6.293 7.218 -10.478 1.00 0.00 H new ATOM 0 HA ALA A 14 5.429 5.142 -10.201 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.843 3.474 -9.101 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.796 4.507 -10.193 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.867 4.768 -8.434 1.00 0.00 H new ATOM 152 N PRO A 15 4.232 4.470 -8.074 1.00 0.00 N ATOM 153 CA PRO A 15 3.330 4.340 -6.942 1.00 0.00 C ATOM 154 C PRO A 15 4.049 3.736 -5.734 1.00 0.00 C ATOM 155 O PRO A 15 4.358 4.441 -4.774 1.00 0.00 O ATOM 156 CB PRO A 15 2.188 3.474 -7.448 1.00 0.00 C ATOM 157 CG PRO A 15 2.715 2.770 -8.687 1.00 0.00 C ATOM 158 CD PRO A 15 3.999 3.466 -9.108 1.00 0.00 C ATOM 0 HA PRO A 15 2.957 5.301 -6.588 1.00 0.00 H new ATOM 0 HB2 PRO A 15 1.880 2.753 -6.691 1.00 0.00 H new ATOM 0 HB3 PRO A 15 1.314 4.080 -7.686 1.00 0.00 H new ATOM 0 HG2 PRO A 15 2.903 1.717 -8.477 1.00 0.00 H new ATOM 0 HG3 PRO A 15 1.979 2.808 -9.490 1.00 0.00 H new ATOM 0 HD2 PRO A 15 4.829 2.762 -9.171 1.00 0.00 H new ATOM 0 HD3 PRO A 15 3.896 3.926 -10.091 1.00 0.00 H new ATOM 163 N GLU A 16 4.296 2.437 -5.821 1.00 0.00 N ATOM 164 CA GLU A 16 4.974 1.731 -4.747 1.00 0.00 C ATOM 165 C GLU A 16 6.243 2.480 -4.337 1.00 0.00 C ATOM 166 O GLU A 16 6.708 2.347 -3.206 1.00 0.00 O ATOM 167 CB GLU A 16 5.295 0.292 -5.155 1.00 0.00 C ATOM 168 CG GLU A 16 6.209 0.260 -6.383 1.00 0.00 C ATOM 169 CD GLU A 16 5.521 -0.429 -7.562 1.00 0.00 C ATOM 170 OE1 GLU A 16 4.724 0.260 -8.236 1.00 0.00 O ATOM 171 OE2 GLU A 16 5.806 -1.629 -7.764 1.00 0.00 O ATOM 0 H GLU A 16 4.039 1.855 -6.618 1.00 0.00 H new ATOM 0 HA GLU A 16 4.306 1.690 -3.887 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.776 -0.226 -4.326 1.00 0.00 H new ATOM 0 HB3 GLU A 16 4.370 -0.243 -5.372 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.484 1.277 -6.662 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.133 -0.265 -6.139 1.00 0.00 H new ATOM 176 N VAL A 17 6.766 3.253 -5.278 1.00 0.00 N ATOM 177 CA VAL A 17 7.972 4.024 -5.026 1.00 0.00 C ATOM 178 C VAL A 17 7.629 5.228 -4.146 1.00 0.00 C ATOM 179 O VAL A 17 8.432 5.638 -3.310 1.00 0.00 O ATOM 180 CB VAL A 17 8.624 4.421 -6.353 1.00 0.00 C ATOM 181 CG1 VAL A 17 9.682 5.506 -6.140 1.00 0.00 C ATOM 182 CG2 VAL A 17 9.222 3.201 -7.056 1.00 0.00 C ATOM 0 H VAL A 17 6.377 3.362 -6.215 1.00 0.00 H new ATOM 0 HA VAL A 17 8.703 3.424 -4.485 1.00 0.00 H new ATOM 0 HB VAL A 17 7.848 4.832 -6.999 1.00 0.00 H new ATOM 0 HG11 VAL A 17 10.130 5.770 -7.098 1.00 0.00 H new ATOM 0 HG12 VAL A 17 9.215 6.388 -5.702 1.00 0.00 H new ATOM 0 HG13 VAL A 17 10.455 5.133 -5.468 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.679 3.510 -7.996 1.00 0.00 H new ATOM 0 HG22 VAL A 17 9.979 2.747 -6.416 1.00 0.00 H new ATOM 0 HG23 VAL A 17 8.435 2.475 -7.257 1.00 0.00 H new ATOM 192 N ARG A 18 6.435 5.758 -4.362 1.00 0.00 N ATOM 193 CA ARG A 18 5.975 6.905 -3.598 1.00 0.00 C ATOM 194 C ARG A 18 5.425 6.455 -2.243 1.00 0.00 C ATOM 195 O ARG A 18 5.549 7.171 -1.251 1.00 0.00 O ATOM 196 CB ARG A 18 4.887 7.671 -4.354 1.00 0.00 C ATOM 197 CG ARG A 18 4.373 8.851 -3.528 1.00 0.00 C ATOM 198 CD ARG A 18 3.197 9.538 -4.226 1.00 0.00 C ATOM 199 NE ARG A 18 3.696 10.475 -5.256 1.00 0.00 N ATOM 200 CZ ARG A 18 2.926 11.359 -5.905 1.00 0.00 C ATOM 201 NH1 ARG A 18 1.615 11.430 -5.636 1.00 0.00 N ATOM 202 NH2 ARG A 18 3.466 12.170 -6.825 1.00 0.00 N ATOM 0 H ARG A 18 5.771 5.414 -5.056 1.00 0.00 H new ATOM 0 HA ARG A 18 6.829 7.565 -3.446 1.00 0.00 H new ATOM 0 HB2 ARG A 18 5.284 8.032 -5.303 1.00 0.00 H new ATOM 0 HB3 ARG A 18 4.061 7.000 -4.589 1.00 0.00 H new ATOM 0 HG2 ARG A 18 4.063 8.502 -2.543 1.00 0.00 H new ATOM 0 HG3 ARG A 18 5.178 9.569 -3.373 1.00 0.00 H new ATOM 0 HD2 ARG A 18 2.550 8.791 -4.685 1.00 0.00 H new ATOM 0 HD3 ARG A 18 2.594 10.076 -3.495 1.00 0.00 H new ATOM 0 HE ARG A 18 4.689 10.446 -5.487 1.00 0.00 H new ATOM 0 HH11 ARG A 18 1.203 10.811 -4.937 1.00 0.00 H new ATOM 0 HH12 ARG A 18 1.029 12.103 -6.130 1.00 0.00 H new ATOM 0 HH21 ARG A 18 4.463 12.114 -7.031 1.00 0.00 H new ATOM 0 HH22 ARG A 18 2.880 12.843 -7.319 1.00 0.00 H new ATOM 213 N PHE A 19 4.829 5.272 -2.246 1.00 0.00 N ATOM 214 CA PHE A 19 4.259 4.718 -1.030 1.00 0.00 C ATOM 215 C PHE A 19 5.097 3.545 -0.517 1.00 0.00 C ATOM 216 O PHE A 19 4.567 2.623 0.101 1.00 0.00 O ATOM 217 CB PHE A 19 2.858 4.215 -1.380 1.00 0.00 C ATOM 218 CG PHE A 19 2.013 5.221 -2.163 1.00 0.00 C ATOM 219 CD1 PHE A 19 1.654 6.402 -1.589 1.00 0.00 C ATOM 220 CD2 PHE A 19 1.621 4.938 -3.435 1.00 0.00 C ATOM 221 CE1 PHE A 19 0.871 7.336 -2.316 1.00 0.00 C ATOM 222 CE2 PHE A 19 0.837 5.872 -4.161 1.00 0.00 C ATOM 223 CZ PHE A 19 0.478 7.051 -3.587 1.00 0.00 C ATOM 0 H PHE A 19 4.728 4.682 -3.072 1.00 0.00 H new ATOM 0 HA PHE A 19 4.234 5.480 -0.251 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.947 3.299 -1.964 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.336 3.956 -0.459 1.00 0.00 H new ATOM 0 HD1 PHE A 19 1.965 6.628 -0.580 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.907 4.002 -3.892 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.587 8.273 -1.860 1.00 0.00 H new ATOM 0 HE2 PHE A 19 0.525 5.646 -5.170 1.00 0.00 H new ATOM 0 HZ PHE A 19 -0.119 7.761 -4.140 1.00 0.00 H new ATOM 232 N SER A 20 6.390 3.616 -0.794 1.00 0.00 N ATOM 233 CA SER A 20 7.305 2.570 -0.370 1.00 0.00 C ATOM 234 C SER A 20 7.362 2.514 1.158 1.00 0.00 C ATOM 235 O SER A 20 7.123 1.465 1.754 1.00 0.00 O ATOM 236 CB SER A 20 8.705 2.797 -0.944 1.00 0.00 C ATOM 237 OG SER A 20 9.013 4.182 -1.070 1.00 0.00 O ATOM 0 H SER A 20 6.826 4.382 -1.307 1.00 0.00 H new ATOM 0 HA SER A 20 6.936 1.617 -0.750 1.00 0.00 H new ATOM 0 HB2 SER A 20 9.443 2.319 -0.300 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.778 2.319 -1.921 1.00 0.00 H new ATOM 0 HG SER A 20 8.721 4.503 -1.949 1.00 0.00 H new ATOM 242 N LYS A 21 7.681 3.656 1.750 1.00 0.00 N ATOM 243 CA LYS A 21 7.771 3.750 3.197 1.00 0.00 C ATOM 244 C LYS A 21 6.567 3.047 3.826 1.00 0.00 C ATOM 245 O LYS A 21 6.691 2.414 4.873 1.00 0.00 O ATOM 246 CB LYS A 21 7.928 5.209 3.630 1.00 0.00 C ATOM 247 CG LYS A 21 9.326 5.467 4.194 1.00 0.00 C ATOM 248 CD LYS A 21 9.445 4.939 5.626 1.00 0.00 C ATOM 249 CE LYS A 21 8.939 5.972 6.635 1.00 0.00 C ATOM 250 NZ LYS A 21 9.782 5.965 7.851 1.00 0.00 N ATOM 0 H LYS A 21 7.880 4.524 1.253 1.00 0.00 H new ATOM 0 HA LYS A 21 8.663 3.237 3.557 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.749 5.866 2.779 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.178 5.451 4.383 1.00 0.00 H new ATOM 0 HG2 LYS A 21 10.072 4.985 3.562 1.00 0.00 H new ATOM 0 HG3 LYS A 21 9.537 6.536 4.178 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.873 4.017 5.726 1.00 0.00 H new ATOM 0 HD3 LYS A 21 10.485 4.694 5.842 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.949 6.964 6.184 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.905 5.753 6.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 9.425 6.672 8.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.752 5.022 8.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 10.763 6.196 7.595 1.00 0.00 H new ATOM 260 N GLU A 22 5.430 3.181 3.160 1.00 0.00 N ATOM 261 CA GLU A 22 4.205 2.567 3.641 1.00 0.00 C ATOM 262 C GLU A 22 4.245 1.054 3.415 1.00 0.00 C ATOM 263 O GLU A 22 4.157 0.278 4.366 1.00 0.00 O ATOM 264 CB GLU A 22 2.978 3.188 2.969 1.00 0.00 C ATOM 265 CG GLU A 22 2.772 4.632 3.433 1.00 0.00 C ATOM 266 CD GLU A 22 3.148 5.621 2.328 1.00 0.00 C ATOM 267 OE1 GLU A 22 2.617 5.452 1.209 1.00 0.00 O ATOM 268 OE2 GLU A 22 3.959 6.525 2.627 1.00 0.00 O ATOM 0 H GLU A 22 5.331 3.706 2.291 1.00 0.00 H new ATOM 0 HA GLU A 22 4.126 2.754 4.712 1.00 0.00 H new ATOM 0 HB2 GLU A 22 3.101 3.164 1.886 1.00 0.00 H new ATOM 0 HB3 GLU A 22 2.092 2.597 3.203 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.731 4.781 3.720 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.378 4.823 4.319 1.00 0.00 H new ATOM 273 N MET A 23 4.377 0.680 2.151 1.00 0.00 N ATOM 274 CA MET A 23 4.431 -0.726 1.788 1.00 0.00 C ATOM 275 C MET A 23 5.298 -1.514 2.772 1.00 0.00 C ATOM 276 O MET A 23 4.944 -2.623 3.168 1.00 0.00 O ATOM 277 CB MET A 23 5.003 -0.869 0.377 1.00 0.00 C ATOM 278 CG MET A 23 3.990 -0.414 -0.674 1.00 0.00 C ATOM 279 SD MET A 23 2.519 -1.422 -0.580 1.00 0.00 S ATOM 280 CE MET A 23 2.908 -2.654 -1.813 1.00 0.00 C ATOM 0 H MET A 23 4.448 1.326 1.365 1.00 0.00 H new ATOM 0 HA MET A 23 3.419 -1.128 1.821 1.00 0.00 H new ATOM 0 HB2 MET A 23 5.914 -0.278 0.289 1.00 0.00 H new ATOM 0 HB3 MET A 23 5.278 -1.908 0.196 1.00 0.00 H new ATOM 0 HG2 MET A 23 3.734 0.633 -0.515 1.00 0.00 H new ATOM 0 HG3 MET A 23 4.428 -0.487 -1.669 1.00 0.00 H new ATOM 0 HE1 MET A 23 1.984 -3.067 -2.219 1.00 0.00 H new ATOM 0 HE2 MET A 23 3.484 -2.195 -2.617 1.00 0.00 H new ATOM 0 HE3 MET A 23 3.493 -3.453 -1.357 1.00 0.00 H new ATOM 288 N GLU A 24 6.418 -0.909 3.140 1.00 0.00 N ATOM 289 CA GLU A 24 7.339 -1.541 4.071 1.00 0.00 C ATOM 290 C GLU A 24 6.690 -1.674 5.450 1.00 0.00 C ATOM 291 O GLU A 24 6.746 -2.738 6.065 1.00 0.00 O ATOM 292 CB GLU A 24 8.652 -0.761 4.156 1.00 0.00 C ATOM 293 CG GLU A 24 9.759 -1.463 3.367 1.00 0.00 C ATOM 294 CD GLU A 24 10.764 -2.133 4.308 1.00 0.00 C ATOM 295 OE1 GLU A 24 11.724 -1.435 4.701 1.00 0.00 O ATOM 296 OE2 GLU A 24 10.549 -3.325 4.612 1.00 0.00 O ATOM 0 H GLU A 24 6.709 0.012 2.811 1.00 0.00 H new ATOM 0 HA GLU A 24 7.571 -2.540 3.702 1.00 0.00 H new ATOM 0 HB2 GLU A 24 8.506 0.247 3.767 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.952 -0.660 5.199 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.321 -2.210 2.705 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.274 -0.740 2.734 1.00 0.00 H new ATOM 301 N CYS A 25 6.090 -0.580 5.896 1.00 0.00 N ATOM 302 CA CYS A 25 5.432 -0.563 7.191 1.00 0.00 C ATOM 303 C CYS A 25 4.318 -1.611 7.178 1.00 0.00 C ATOM 304 O CYS A 25 4.188 -2.396 8.117 1.00 0.00 O ATOM 305 CB CYS A 25 4.901 0.830 7.536 1.00 0.00 C ATOM 306 SG CYS A 25 5.339 1.258 9.260 1.00 0.00 S ATOM 0 H CYS A 25 6.046 0.301 5.383 1.00 0.00 H new ATOM 0 HA CYS A 25 6.152 -0.810 7.971 1.00 0.00 H new ATOM 0 HB2 CYS A 25 5.320 1.568 6.852 1.00 0.00 H new ATOM 0 HB3 CYS A 25 3.819 0.857 7.410 1.00 0.00 H new ATOM 0 HG CYS A 25 4.885 2.443 9.541 1.00 0.00 H new ATOM 311 N LEU A 26 3.542 -1.592 6.104 1.00 0.00 N ATOM 312 CA LEU A 26 2.444 -2.532 5.957 1.00 0.00 C ATOM 313 C LEU A 26 2.971 -3.958 6.130 1.00 0.00 C ATOM 314 O LEU A 26 2.400 -4.748 6.878 1.00 0.00 O ATOM 315 CB LEU A 26 1.717 -2.301 4.630 1.00 0.00 C ATOM 316 CG LEU A 26 0.832 -1.056 4.558 1.00 0.00 C ATOM 317 CD1 LEU A 26 0.588 -0.640 3.106 1.00 0.00 C ATOM 318 CD2 LEU A 26 -0.478 -1.269 5.321 1.00 0.00 C ATOM 0 H LEU A 26 3.652 -0.940 5.327 1.00 0.00 H new ATOM 0 HA LEU A 26 1.698 -2.372 6.736 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.462 -2.239 3.837 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.099 -3.174 4.420 1.00 0.00 H new ATOM 0 HG LEU A 26 1.358 -0.235 5.044 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.044 0.248 3.083 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.541 -0.419 2.626 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.093 -1.452 2.573 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.089 -0.369 5.254 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.020 -2.108 4.886 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.259 -1.482 6.367 1.00 0.00 H new ATOM 329 N GLN A 27 4.057 -4.242 5.425 1.00 0.00 N ATOM 330 CA GLN A 27 4.668 -5.558 5.492 1.00 0.00 C ATOM 331 C GLN A 27 4.953 -5.938 6.946 1.00 0.00 C ATOM 332 O GLN A 27 4.604 -7.034 7.385 1.00 0.00 O ATOM 333 CB GLN A 27 5.945 -5.614 4.650 1.00 0.00 C ATOM 334 CG GLN A 27 5.789 -6.587 3.481 1.00 0.00 C ATOM 335 CD GLN A 27 6.463 -7.926 3.788 1.00 0.00 C ATOM 336 OE1 GLN A 27 6.465 -8.406 4.910 1.00 0.00 O ATOM 337 NE2 GLN A 27 7.034 -8.500 2.733 1.00 0.00 N ATOM 0 H GLN A 27 4.529 -3.583 4.805 1.00 0.00 H new ATOM 0 HA GLN A 27 3.967 -6.283 5.078 1.00 0.00 H new ATOM 0 HB2 GLN A 27 6.179 -4.619 4.271 1.00 0.00 H new ATOM 0 HB3 GLN A 27 6.783 -5.922 5.275 1.00 0.00 H new ATOM 0 HG2 GLN A 27 4.731 -6.747 3.275 1.00 0.00 H new ATOM 0 HG3 GLN A 27 6.226 -6.153 2.582 1.00 0.00 H new ATOM 0 HE21 GLN A 27 6.996 -8.044 1.821 1.00 0.00 H new ATOM 0 HE22 GLN A 27 7.510 -9.396 2.835 1.00 0.00 H new ATOM 344 N ALA A 28 5.583 -5.013 7.654 1.00 0.00 N ATOM 345 CA ALA A 28 5.919 -5.237 9.050 1.00 0.00 C ATOM 346 C ALA A 28 4.698 -5.804 9.778 1.00 0.00 C ATOM 347 O ALA A 28 4.792 -6.831 10.447 1.00 0.00 O ATOM 348 CB ALA A 28 6.415 -3.930 9.672 1.00 0.00 C ATOM 0 H ALA A 28 5.870 -4.106 7.287 1.00 0.00 H new ATOM 0 HA ALA A 28 6.724 -5.966 9.140 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.667 -4.098 10.719 1.00 0.00 H new ATOM 0 HB2 ALA A 28 7.300 -3.585 9.137 1.00 0.00 H new ATOM 0 HB3 ALA A 28 5.632 -3.175 9.604 1.00 0.00 H new ATOM 354 N MET A 29 3.581 -5.108 9.624 1.00 0.00 N ATOM 355 CA MET A 29 2.344 -5.528 10.259 1.00 0.00 C ATOM 356 C MET A 29 1.974 -6.956 9.849 1.00 0.00 C ATOM 357 O MET A 29 1.414 -7.708 10.645 1.00 0.00 O ATOM 358 CB MET A 29 1.215 -4.574 9.860 1.00 0.00 C ATOM 359 CG MET A 29 1.458 -3.172 10.422 1.00 0.00 C ATOM 360 SD MET A 29 -0.094 -2.308 10.596 1.00 0.00 S ATOM 361 CE MET A 29 0.178 -0.953 9.466 1.00 0.00 C ATOM 0 H MET A 29 3.507 -4.256 9.068 1.00 0.00 H new ATOM 0 HA MET A 29 2.487 -5.505 11.339 1.00 0.00 H new ATOM 0 HB2 MET A 29 1.141 -4.526 8.774 1.00 0.00 H new ATOM 0 HB3 MET A 29 0.263 -4.957 10.228 1.00 0.00 H new ATOM 0 HG2 MET A 29 1.956 -3.240 11.389 1.00 0.00 H new ATOM 0 HG3 MET A 29 2.121 -2.616 9.760 1.00 0.00 H new ATOM 0 HE1 MET A 29 -0.012 -0.009 9.977 1.00 0.00 H new ATOM 0 HE2 MET A 29 1.210 -0.974 9.114 1.00 0.00 H new ATOM 0 HE3 MET A 29 -0.497 -1.047 8.616 1.00 0.00 H new ATOM 369 N GLY A 30 2.305 -7.286 8.609 1.00 0.00 N ATOM 370 CA GLY A 30 2.015 -8.609 8.085 1.00 0.00 C ATOM 371 C GLY A 30 1.423 -8.524 6.678 1.00 0.00 C ATOM 372 O GLY A 30 1.376 -9.521 5.959 1.00 0.00 O ATOM 0 H GLY A 30 2.771 -6.660 7.953 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.928 -9.204 8.064 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.317 -9.121 8.747 1.00 0.00 H new ATOM 376 N PHE A 31 0.984 -7.324 6.326 1.00 0.00 N ATOM 377 CA PHE A 31 0.396 -7.096 5.018 1.00 0.00 C ATOM 378 C PHE A 31 1.433 -7.290 3.909 1.00 0.00 C ATOM 379 O PHE A 31 1.968 -6.318 3.377 1.00 0.00 O ATOM 380 CB PHE A 31 -0.093 -5.646 4.994 1.00 0.00 C ATOM 381 CG PHE A 31 -1.272 -5.372 5.928 1.00 0.00 C ATOM 382 CD1 PHE A 31 -2.452 -6.025 5.744 1.00 0.00 C ATOM 383 CD2 PHE A 31 -1.142 -4.477 6.943 1.00 0.00 C ATOM 384 CE1 PHE A 31 -3.546 -5.770 6.612 1.00 0.00 C ATOM 385 CE2 PHE A 31 -2.237 -4.222 7.811 1.00 0.00 C ATOM 386 CZ PHE A 31 -3.417 -4.874 7.627 1.00 0.00 C ATOM 0 H PHE A 31 1.024 -6.499 6.925 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.416 -7.803 4.847 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.734 -4.990 5.267 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.382 -5.388 3.975 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.556 -6.737 4.938 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.205 -3.959 7.089 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.482 -6.288 6.466 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -2.133 -3.511 8.617 1.00 0.00 H new ATOM 0 HZ PHE A 31 -4.250 -4.680 8.286 1.00 0.00 H new ATOM 395 N VAL A 32 1.688 -8.551 3.595 1.00 0.00 N ATOM 396 CA VAL A 32 2.651 -8.885 2.560 1.00 0.00 C ATOM 397 C VAL A 32 2.019 -8.651 1.186 1.00 0.00 C ATOM 398 O VAL A 32 2.726 -8.509 0.190 1.00 0.00 O ATOM 399 CB VAL A 32 3.149 -10.319 2.752 1.00 0.00 C ATOM 400 CG1 VAL A 32 3.811 -10.490 4.120 1.00 0.00 C ATOM 401 CG2 VAL A 32 2.013 -11.325 2.562 1.00 0.00 C ATOM 0 H VAL A 32 1.244 -9.355 4.040 1.00 0.00 H new ATOM 0 HA VAL A 32 3.526 -8.239 2.630 1.00 0.00 H new ATOM 0 HB VAL A 32 3.901 -10.517 1.989 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.156 -11.518 4.231 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.660 -9.811 4.201 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.089 -10.263 4.904 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.395 -12.336 2.704 1.00 0.00 H new ATOM 0 HG22 VAL A 32 1.227 -11.128 3.291 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.606 -11.229 1.555 1.00 0.00 H new ATOM 411 N ASN A 33 0.694 -8.618 1.177 1.00 0.00 N ATOM 412 CA ASN A 33 -0.041 -8.405 -0.057 1.00 0.00 C ATOM 413 C ASN A 33 0.398 -7.080 -0.684 1.00 0.00 C ATOM 414 O ASN A 33 -0.160 -6.028 -0.374 1.00 0.00 O ATOM 415 CB ASN A 33 -1.546 -8.328 0.204 1.00 0.00 C ATOM 416 CG ASN A 33 -2.311 -9.288 -0.710 1.00 0.00 C ATOM 417 OD1 ASN A 33 -1.747 -9.967 -1.552 1.00 0.00 O ATOM 418 ND2 ASN A 33 -3.624 -9.307 -0.498 1.00 0.00 N ATOM 0 H ASN A 33 0.111 -8.735 2.006 1.00 0.00 H new ATOM 0 HA ASN A 33 0.167 -9.243 -0.722 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -1.751 -8.572 1.246 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -1.895 -7.309 0.041 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -4.222 -9.916 -1.057 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -4.033 -8.713 0.224 1.00 0.00 H new ATOM 424 N TYR A 34 1.393 -7.174 -1.554 1.00 0.00 N ATOM 425 CA TYR A 34 1.913 -5.996 -2.226 1.00 0.00 C ATOM 426 C TYR A 34 0.929 -5.488 -3.282 1.00 0.00 C ATOM 427 O TYR A 34 0.437 -4.364 -3.188 1.00 0.00 O ATOM 428 CB TYR A 34 3.202 -6.440 -2.920 1.00 0.00 C ATOM 429 CG TYR A 34 3.973 -5.301 -3.590 1.00 0.00 C ATOM 430 CD1 TYR A 34 4.787 -4.480 -2.834 1.00 0.00 C ATOM 431 CD2 TYR A 34 3.856 -5.094 -4.949 1.00 0.00 C ATOM 432 CE1 TYR A 34 5.512 -3.409 -3.465 1.00 0.00 C ATOM 433 CE2 TYR A 34 4.582 -4.022 -5.579 1.00 0.00 C ATOM 434 CZ TYR A 34 5.374 -3.232 -4.806 1.00 0.00 C ATOM 435 OH TYR A 34 6.060 -2.219 -5.401 1.00 0.00 O ATOM 0 H TYR A 34 1.853 -8.048 -1.809 1.00 0.00 H new ATOM 0 HA TYR A 34 2.079 -5.189 -1.512 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.850 -6.921 -2.187 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.958 -7.191 -3.671 1.00 0.00 H new ATOM 0 HD1 TYR A 34 4.879 -4.642 -1.770 1.00 0.00 H new ATOM 0 HD2 TYR A 34 3.220 -5.736 -5.540 1.00 0.00 H new ATOM 0 HE1 TYR A 34 6.152 -2.760 -2.886 1.00 0.00 H new ATOM 0 HE2 TYR A 34 4.499 -3.849 -6.642 1.00 0.00 H new ATOM 0 HH TYR A 34 6.284 -2.472 -6.321 1.00 0.00 H new ATOM 444 N ASN A 35 0.671 -6.340 -4.263 1.00 0.00 N ATOM 445 CA ASN A 35 -0.244 -5.991 -5.336 1.00 0.00 C ATOM 446 C ASN A 35 -1.503 -5.357 -4.740 1.00 0.00 C ATOM 447 O ASN A 35 -2.080 -4.444 -5.328 1.00 0.00 O ATOM 448 CB ASN A 35 -0.669 -7.233 -6.122 1.00 0.00 C ATOM 449 CG ASN A 35 -0.748 -6.932 -7.621 1.00 0.00 C ATOM 450 OD1 ASN A 35 -1.244 -5.902 -8.048 1.00 0.00 O ATOM 451 ND2 ASN A 35 -0.234 -7.885 -8.392 1.00 0.00 N ATOM 0 H ASN A 35 1.080 -7.272 -4.337 1.00 0.00 H new ATOM 0 HA ASN A 35 0.267 -5.298 -6.004 1.00 0.00 H new ATOM 0 HB2 ASN A 35 0.042 -8.040 -5.946 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.639 -7.580 -5.765 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -0.239 -7.779 -9.406 1.00 0.00 H new ATOM 0 HD22 ASN A 35 0.166 -8.723 -7.969 1.00 0.00 H new ATOM 457 N ALA A 36 -1.891 -5.865 -3.579 1.00 0.00 N ATOM 458 CA ALA A 36 -3.070 -5.360 -2.898 1.00 0.00 C ATOM 459 C ALA A 36 -2.735 -4.024 -2.231 1.00 0.00 C ATOM 460 O ALA A 36 -3.287 -2.987 -2.599 1.00 0.00 O ATOM 461 CB ALA A 36 -3.566 -6.403 -1.895 1.00 0.00 C ATOM 0 H ALA A 36 -1.409 -6.621 -3.093 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.877 -5.181 -3.609 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -4.451 -6.024 -1.384 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.817 -7.324 -2.422 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -2.783 -6.606 -1.164 1.00 0.00 H new ATOM 467 N ASN A 37 -1.832 -4.091 -1.265 1.00 0.00 N ATOM 468 CA ASN A 37 -1.416 -2.899 -0.544 1.00 0.00 C ATOM 469 C ASN A 37 -1.198 -1.758 -1.539 1.00 0.00 C ATOM 470 O ASN A 37 -1.765 -0.678 -1.384 1.00 0.00 O ATOM 471 CB ASN A 37 -0.102 -3.136 0.201 1.00 0.00 C ATOM 472 CG ASN A 37 -0.300 -4.105 1.369 1.00 0.00 C ATOM 473 OD1 ASN A 37 -1.350 -4.165 1.988 1.00 0.00 O ATOM 474 ND2 ASN A 37 0.764 -4.856 1.635 1.00 0.00 N ATOM 0 H ASN A 37 -1.376 -4.952 -0.964 1.00 0.00 H new ATOM 0 HA ASN A 37 -2.196 -2.649 0.175 1.00 0.00 H new ATOM 0 HB2 ASN A 37 0.643 -3.537 -0.487 1.00 0.00 H new ATOM 0 HB3 ASN A 37 0.286 -2.187 0.573 1.00 0.00 H new ATOM 0 HD21 ASN A 37 0.733 -5.533 2.397 1.00 0.00 H new ATOM 0 HD22 ASN A 37 1.612 -4.755 1.077 1.00 0.00 H new ATOM 480 N LEU A 38 -0.373 -2.036 -2.538 1.00 0.00 N ATOM 481 CA LEU A 38 -0.072 -1.047 -3.558 1.00 0.00 C ATOM 482 C LEU A 38 -1.370 -0.375 -4.010 1.00 0.00 C ATOM 483 O LEU A 38 -1.544 0.829 -3.834 1.00 0.00 O ATOM 484 CB LEU A 38 0.723 -1.680 -4.701 1.00 0.00 C ATOM 485 CG LEU A 38 1.876 -0.843 -5.261 1.00 0.00 C ATOM 486 CD1 LEU A 38 2.487 -1.508 -6.495 1.00 0.00 C ATOM 487 CD2 LEU A 38 1.424 0.590 -5.546 1.00 0.00 C ATOM 0 H LEU A 38 0.096 -2.933 -2.662 1.00 0.00 H new ATOM 0 HA LEU A 38 0.568 -0.264 -3.151 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.126 -2.631 -4.353 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.034 -1.904 -5.515 1.00 0.00 H new ATOM 0 HG LEU A 38 2.659 -0.789 -4.504 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.304 -0.893 -6.873 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.869 -2.493 -6.226 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.725 -1.613 -7.267 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.262 1.164 -5.943 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.614 0.578 -6.276 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.073 1.051 -4.623 1.00 0.00 H new ATOM 498 N GLN A 39 -2.248 -1.184 -4.584 1.00 0.00 N ATOM 499 CA GLN A 39 -3.526 -0.684 -5.063 1.00 0.00 C ATOM 500 C GLN A 39 -4.213 0.143 -3.974 1.00 0.00 C ATOM 501 O GLN A 39 -4.589 1.292 -4.206 1.00 0.00 O ATOM 502 CB GLN A 39 -4.424 -1.830 -5.529 1.00 0.00 C ATOM 503 CG GLN A 39 -3.854 -2.498 -6.783 1.00 0.00 C ATOM 504 CD GLN A 39 -4.412 -1.850 -8.051 1.00 0.00 C ATOM 505 OE1 GLN A 39 -5.530 -2.102 -8.468 1.00 0.00 O ATOM 506 NE2 GLN A 39 -3.572 -1.004 -8.640 1.00 0.00 N ATOM 0 H GLN A 39 -2.100 -2.183 -4.728 1.00 0.00 H new ATOM 0 HA GLN A 39 -3.343 -0.039 -5.922 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -4.522 -2.567 -4.732 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -5.425 -1.451 -5.737 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -2.767 -2.420 -6.779 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -4.097 -3.560 -6.776 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -2.649 -0.838 -8.238 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -3.850 -0.521 -9.494 1.00 0.00 H new ATOM 513 N ALA A 40 -4.358 -0.472 -2.810 1.00 0.00 N ATOM 514 CA ALA A 40 -4.993 0.193 -1.685 1.00 0.00 C ATOM 515 C ALA A 40 -4.384 1.585 -1.511 1.00 0.00 C ATOM 516 O ALA A 40 -5.104 2.582 -1.471 1.00 0.00 O ATOM 517 CB ALA A 40 -4.844 -0.670 -0.432 1.00 0.00 C ATOM 0 H ALA A 40 -4.046 -1.425 -2.621 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.060 0.321 -1.867 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.320 -0.171 0.412 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.319 -1.637 -0.597 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.786 -0.818 -0.216 1.00 0.00 H new ATOM 523 N LEU A 41 -3.062 1.609 -1.411 1.00 0.00 N ATOM 524 CA LEU A 41 -2.348 2.863 -1.242 1.00 0.00 C ATOM 525 C LEU A 41 -2.824 3.863 -2.298 1.00 0.00 C ATOM 526 O LEU A 41 -3.354 4.921 -1.961 1.00 0.00 O ATOM 527 CB LEU A 41 -0.837 2.624 -1.258 1.00 0.00 C ATOM 528 CG LEU A 41 -0.214 2.178 0.067 1.00 0.00 C ATOM 529 CD1 LEU A 41 1.061 1.366 -0.172 1.00 0.00 C ATOM 530 CD2 LEU A 41 0.033 3.374 0.988 1.00 0.00 C ATOM 0 H LEU A 41 -2.468 0.781 -1.444 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.569 3.299 -0.268 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.617 1.869 -2.013 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.347 3.544 -1.575 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.923 1.523 0.573 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.483 1.062 0.786 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.823 0.481 -0.762 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.786 1.977 -0.710 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.476 3.029 1.922 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.712 4.074 0.501 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.913 3.873 1.198 1.00 0.00 H new ATOM 541 N ILE A 42 -2.617 3.494 -3.553 1.00 0.00 N ATOM 542 CA ILE A 42 -3.018 4.346 -4.659 1.00 0.00 C ATOM 543 C ILE A 42 -4.479 4.759 -4.475 1.00 0.00 C ATOM 544 O ILE A 42 -4.840 5.907 -4.734 1.00 0.00 O ATOM 545 CB ILE A 42 -2.738 3.655 -5.995 1.00 0.00 C ATOM 546 CG1 ILE A 42 -1.240 3.401 -6.179 1.00 0.00 C ATOM 547 CG2 ILE A 42 -3.330 4.452 -7.160 1.00 0.00 C ATOM 548 CD1 ILE A 42 -0.995 2.156 -7.034 1.00 0.00 C ATOM 0 H ILE A 42 -2.177 2.616 -3.829 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.427 5.262 -4.669 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.231 2.683 -5.985 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.776 4.267 -6.651 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.766 3.277 -5.205 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.117 3.939 -8.098 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.409 4.538 -7.031 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -2.887 5.448 -7.182 1.00 0.00 H new ATOM 0 HD11 ILE A 42 0.077 1.999 -7.149 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.439 1.287 -6.548 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.449 2.294 -8.015 1.00 0.00 H new ATOM 559 N ALA A 43 -5.280 3.803 -4.029 1.00 0.00 N ATOM 560 CA ALA A 43 -6.693 4.053 -3.807 1.00 0.00 C ATOM 561 C ALA A 43 -6.855 5.082 -2.685 1.00 0.00 C ATOM 562 O ALA A 43 -7.864 5.783 -2.622 1.00 0.00 O ATOM 563 CB ALA A 43 -7.403 2.735 -3.494 1.00 0.00 C ATOM 0 H ALA A 43 -4.977 2.853 -3.815 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.154 4.467 -4.704 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -8.464 2.924 -3.327 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.284 2.049 -4.333 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.968 2.291 -2.598 1.00 0.00 H new ATOM 569 N THR A 44 -5.845 5.140 -1.830 1.00 0.00 N ATOM 570 CA THR A 44 -5.863 6.071 -0.714 1.00 0.00 C ATOM 571 C THR A 44 -4.824 7.175 -0.925 1.00 0.00 C ATOM 572 O THR A 44 -4.521 7.931 -0.003 1.00 0.00 O ATOM 573 CB THR A 44 -5.647 5.271 0.573 1.00 0.00 C ATOM 574 OG1 THR A 44 -4.353 4.696 0.411 1.00 0.00 O ATOM 575 CG2 THR A 44 -6.581 4.065 0.675 1.00 0.00 C ATOM 0 H THR A 44 -5.009 4.558 -1.887 1.00 0.00 H new ATOM 0 HA THR A 44 -6.823 6.581 -0.639 1.00 0.00 H new ATOM 0 HB THR A 44 -5.798 5.921 1.435 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.977 4.973 -0.451 1.00 0.00 H new ATOM 0 HG21 THR A 44 -6.387 3.532 1.606 1.00 0.00 H new ATOM 0 HG22 THR A 44 -7.617 4.405 0.661 1.00 0.00 H new ATOM 0 HG23 THR A 44 -6.406 3.397 -0.169 1.00 0.00 H new ATOM 583 N ASP A 45 -4.308 7.233 -2.144 1.00 0.00 N ATOM 584 CA ASP A 45 -3.310 8.231 -2.487 1.00 0.00 C ATOM 585 C ASP A 45 -2.297 8.347 -1.347 1.00 0.00 C ATOM 586 O ASP A 45 -1.806 9.436 -1.055 1.00 0.00 O ATOM 587 CB ASP A 45 -3.953 9.605 -2.689 1.00 0.00 C ATOM 588 CG ASP A 45 -3.218 10.526 -3.664 1.00 0.00 C ATOM 589 OD1 ASP A 45 -2.282 11.214 -3.201 1.00 0.00 O ATOM 590 OD2 ASP A 45 -3.608 10.521 -4.852 1.00 0.00 O ATOM 0 H ASP A 45 -4.563 6.605 -2.906 1.00 0.00 H new ATOM 0 HA ASP A 45 -2.825 7.919 -3.412 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -4.973 9.463 -3.046 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -4.020 10.104 -1.722 1.00 0.00 H new ATOM 594 N GLY A 46 -2.011 7.207 -0.735 1.00 0.00 N ATOM 595 CA GLY A 46 -1.064 7.165 0.366 1.00 0.00 C ATOM 596 C GLY A 46 -1.760 7.454 1.698 1.00 0.00 C ATOM 597 O GLY A 46 -1.991 8.611 2.044 1.00 0.00 O ATOM 0 H GLY A 46 -2.419 6.305 -0.981 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.589 6.185 0.405 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -0.273 7.896 0.198 1.00 0.00 H new ATOM 601 N ASP A 47 -2.074 6.382 2.409 1.00 0.00 N ATOM 602 CA ASP A 47 -2.737 6.505 3.696 1.00 0.00 C ATOM 603 C ASP A 47 -2.843 5.123 4.345 1.00 0.00 C ATOM 604 O ASP A 47 -3.848 4.432 4.181 1.00 0.00 O ATOM 605 CB ASP A 47 -4.154 7.060 3.534 1.00 0.00 C ATOM 606 CG ASP A 47 -4.752 7.685 4.795 1.00 0.00 C ATOM 607 OD1 ASP A 47 -4.347 8.824 5.112 1.00 0.00 O ATOM 608 OD2 ASP A 47 -5.601 7.009 5.416 1.00 0.00 O ATOM 0 H ASP A 47 -1.882 5.423 2.118 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.151 7.185 4.314 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -4.146 7.811 2.744 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.808 6.254 3.201 1.00 0.00 H new ATOM 612 N THR A 48 -1.793 4.762 5.068 1.00 0.00 N ATOM 613 CA THR A 48 -1.755 3.475 5.743 1.00 0.00 C ATOM 614 C THR A 48 -3.087 3.201 6.442 1.00 0.00 C ATOM 615 O THR A 48 -3.691 2.147 6.245 1.00 0.00 O ATOM 616 CB THR A 48 -0.557 3.476 6.694 1.00 0.00 C ATOM 617 OG1 THR A 48 -0.539 4.796 7.229 1.00 0.00 O ATOM 618 CG2 THR A 48 0.778 3.355 5.955 1.00 0.00 C ATOM 0 H THR A 48 -0.962 5.338 5.201 1.00 0.00 H new ATOM 0 HA THR A 48 -1.623 2.659 5.033 1.00 0.00 H new ATOM 0 HB THR A 48 -0.656 2.653 7.402 1.00 0.00 H new ATOM 0 HG1 THR A 48 0.207 4.884 7.858 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.595 3.361 6.676 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.798 2.423 5.391 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.893 4.196 5.271 1.00 0.00 H new ATOM 626 N ASN A 49 -3.507 4.167 7.246 1.00 0.00 N ATOM 627 CA ASN A 49 -4.756 4.043 7.976 1.00 0.00 C ATOM 628 C ASN A 49 -5.815 3.420 7.065 1.00 0.00 C ATOM 629 O ASN A 49 -6.261 2.297 7.302 1.00 0.00 O ATOM 630 CB ASN A 49 -5.268 5.412 8.429 1.00 0.00 C ATOM 631 CG ASN A 49 -5.197 5.549 9.950 1.00 0.00 C ATOM 632 OD1 ASN A 49 -5.794 4.791 10.697 1.00 0.00 O ATOM 633 ND2 ASN A 49 -4.434 6.556 10.367 1.00 0.00 N ATOM 0 H ASN A 49 -3.004 5.039 7.408 1.00 0.00 H new ATOM 0 HA ASN A 49 -4.574 3.419 8.851 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -4.675 6.198 7.962 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -6.297 5.548 8.096 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -4.321 6.731 11.366 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -3.962 7.153 9.688 1.00 0.00 H new ATOM 639 N ALA A 50 -6.189 4.174 6.042 1.00 0.00 N ATOM 640 CA ALA A 50 -7.186 3.710 5.093 1.00 0.00 C ATOM 641 C ALA A 50 -6.764 2.346 4.542 1.00 0.00 C ATOM 642 O ALA A 50 -7.524 1.382 4.614 1.00 0.00 O ATOM 643 CB ALA A 50 -7.368 4.754 3.990 1.00 0.00 C ATOM 0 H ALA A 50 -5.819 5.105 5.850 1.00 0.00 H new ATOM 0 HA ALA A 50 -8.151 3.583 5.583 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.116 4.405 3.278 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.697 5.695 4.430 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.420 4.907 3.474 1.00 0.00 H new ATOM 649 N ALA A 51 -5.553 2.311 4.004 1.00 0.00 N ATOM 650 CA ALA A 51 -5.022 1.081 3.441 1.00 0.00 C ATOM 651 C ALA A 51 -5.342 -0.085 4.377 1.00 0.00 C ATOM 652 O ALA A 51 -5.798 -1.137 3.930 1.00 0.00 O ATOM 653 CB ALA A 51 -3.519 1.238 3.200 1.00 0.00 C ATOM 0 H ALA A 51 -4.926 3.113 3.946 1.00 0.00 H new ATOM 0 HA ALA A 51 -5.488 0.868 2.479 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.120 0.316 2.778 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.346 2.060 2.505 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.019 1.450 4.145 1.00 0.00 H new ATOM 659 N ILE A 52 -5.093 0.141 5.659 1.00 0.00 N ATOM 660 CA ILE A 52 -5.350 -0.879 6.662 1.00 0.00 C ATOM 661 C ILE A 52 -6.848 -1.186 6.698 1.00 0.00 C ATOM 662 O ILE A 52 -7.252 -2.341 6.569 1.00 0.00 O ATOM 663 CB ILE A 52 -4.776 -0.455 8.016 1.00 0.00 C ATOM 664 CG1 ILE A 52 -3.249 -0.378 7.964 1.00 0.00 C ATOM 665 CG2 ILE A 52 -5.267 -1.378 9.133 1.00 0.00 C ATOM 666 CD1 ILE A 52 -2.732 0.815 8.771 1.00 0.00 C ATOM 0 H ILE A 52 -4.716 1.015 6.026 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.840 -1.807 6.402 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.141 0.547 8.244 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.821 -1.300 8.357 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.921 -0.291 6.928 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.844 -1.055 10.084 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -6.355 -1.337 9.187 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.952 -2.401 8.925 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.644 0.846 8.717 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.142 1.737 8.360 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.041 0.712 9.811 1.00 0.00 H new ATOM 677 N TYR A 53 -7.632 -0.133 6.874 1.00 0.00 N ATOM 678 CA TYR A 53 -9.077 -0.276 6.929 1.00 0.00 C ATOM 679 C TYR A 53 -9.604 -0.995 5.687 1.00 0.00 C ATOM 680 O TYR A 53 -10.427 -1.902 5.792 1.00 0.00 O ATOM 681 CB TYR A 53 -9.641 1.146 6.958 1.00 0.00 C ATOM 682 CG TYR A 53 -10.968 1.274 7.708 1.00 0.00 C ATOM 683 CD1 TYR A 53 -12.035 0.468 7.367 1.00 0.00 C ATOM 684 CD2 TYR A 53 -11.098 2.196 8.727 1.00 0.00 C ATOM 685 CE1 TYR A 53 -13.284 0.589 8.073 1.00 0.00 C ATOM 686 CE2 TYR A 53 -12.348 2.317 9.433 1.00 0.00 C ATOM 687 CZ TYR A 53 -13.379 1.507 9.072 1.00 0.00 C ATOM 688 OH TYR A 53 -14.558 1.620 9.738 1.00 0.00 O ATOM 0 H TYR A 53 -7.294 0.823 6.980 1.00 0.00 H new ATOM 0 HA TYR A 53 -9.372 -0.860 7.801 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -8.908 1.807 7.421 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -9.780 1.492 5.934 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -11.933 -0.254 6.570 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -10.263 2.826 8.995 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -14.127 -0.035 7.815 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -12.464 3.035 10.231 1.00 0.00 H new ATOM 0 HH TYR A 53 -14.480 2.314 10.425 1.00 0.00 H new ATOM 697 N LYS A 54 -9.108 -0.562 4.536 1.00 0.00 N ATOM 698 CA LYS A 54 -9.518 -1.154 3.274 1.00 0.00 C ATOM 699 C LYS A 54 -9.053 -2.610 3.223 1.00 0.00 C ATOM 700 O LYS A 54 -9.865 -3.520 3.061 1.00 0.00 O ATOM 701 CB LYS A 54 -9.022 -0.308 2.100 1.00 0.00 C ATOM 702 CG LYS A 54 -9.975 0.856 1.822 1.00 0.00 C ATOM 703 CD LYS A 54 -9.200 2.118 1.435 1.00 0.00 C ATOM 704 CE LYS A 54 -10.063 3.053 0.586 1.00 0.00 C ATOM 705 NZ LYS A 54 -10.168 4.384 1.226 1.00 0.00 N ATOM 0 H LYS A 54 -8.426 0.192 4.452 1.00 0.00 H new ATOM 0 HA LYS A 54 -10.605 -1.164 3.193 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -8.026 0.077 2.320 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -8.934 -0.931 1.210 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.661 0.585 1.019 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -10.581 1.054 2.706 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.872 2.638 2.335 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.303 1.842 0.881 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -9.630 3.154 -0.409 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -11.057 2.625 0.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -10.316 5.110 0.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -10.971 4.389 1.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -9.291 4.590 1.745 1.00 0.00 H new ATOM 715 N LEU A 55 -7.747 -2.786 3.363 1.00 0.00 N ATOM 716 CA LEU A 55 -7.164 -4.117 3.335 1.00 0.00 C ATOM 717 C LEU A 55 -7.965 -5.040 4.256 1.00 0.00 C ATOM 718 O LEU A 55 -8.483 -6.065 3.814 1.00 0.00 O ATOM 719 CB LEU A 55 -5.673 -4.056 3.673 1.00 0.00 C ATOM 720 CG LEU A 55 -4.780 -3.363 2.641 1.00 0.00 C ATOM 721 CD1 LEU A 55 -3.490 -2.852 3.288 1.00 0.00 C ATOM 722 CD2 LEU A 55 -4.499 -4.284 1.453 1.00 0.00 C ATOM 0 H LEU A 55 -7.076 -2.029 3.496 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.224 -4.537 2.331 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.558 -3.542 4.628 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.310 -5.074 3.813 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.314 -2.494 2.256 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.873 -2.364 2.533 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.735 -2.138 4.074 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.942 -3.690 3.718 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.863 -3.767 0.735 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.995 -5.185 1.802 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.439 -4.557 0.974 1.00 0.00 H new ATOM 733 N LYS A 56 -8.043 -4.643 5.516 1.00 0.00 N ATOM 734 CA LYS A 56 -8.772 -5.422 6.503 1.00 0.00 C ATOM 735 C LYS A 56 -10.098 -5.889 5.899 1.00 0.00 C ATOM 736 O LYS A 56 -10.339 -7.090 5.776 1.00 0.00 O ATOM 737 CB LYS A 56 -8.936 -4.627 7.800 1.00 0.00 C ATOM 738 CG LYS A 56 -7.621 -4.574 8.580 1.00 0.00 C ATOM 739 CD LYS A 56 -7.749 -5.297 9.922 1.00 0.00 C ATOM 740 CE LYS A 56 -8.046 -4.309 11.051 1.00 0.00 C ATOM 741 NZ LYS A 56 -9.455 -3.860 10.989 1.00 0.00 N ATOM 0 H LYS A 56 -7.613 -3.791 5.878 1.00 0.00 H new ATOM 0 HA LYS A 56 -8.209 -6.316 6.772 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -9.268 -3.614 7.571 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -9.710 -5.085 8.416 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.826 -5.032 7.991 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -7.336 -3.536 8.748 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -8.545 -6.039 9.865 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -6.826 -5.835 10.138 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -7.850 -4.779 12.015 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -7.380 -3.449 10.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -9.649 -3.216 11.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -9.622 -3.363 10.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -10.085 -4.685 11.050 1.00 0.00 H new ATOM 751 N SER A 57 -10.923 -4.917 5.536 1.00 0.00 N ATOM 752 CA SER A 57 -12.217 -5.215 4.946 1.00 0.00 C ATOM 753 C SER A 57 -12.057 -6.242 3.824 1.00 0.00 C ATOM 754 O SER A 57 -12.676 -7.305 3.858 1.00 0.00 O ATOM 755 CB SER A 57 -12.884 -3.945 4.414 1.00 0.00 C ATOM 756 OG SER A 57 -13.639 -3.276 5.421 1.00 0.00 O ATOM 0 H SER A 57 -10.720 -3.923 5.639 1.00 0.00 H new ATOM 0 HA SER A 57 -12.859 -5.633 5.721 1.00 0.00 H new ATOM 0 HB2 SER A 57 -12.121 -3.271 4.025 1.00 0.00 H new ATOM 0 HB3 SER A 57 -13.538 -4.201 3.581 1.00 0.00 H new ATOM 0 HG SER A 57 -14.047 -2.470 5.042 1.00 0.00 H new ATOM 761 N SER A 58 -11.226 -5.888 2.855 1.00 0.00 N ATOM 762 CA SER A 58 -10.977 -6.766 1.724 1.00 0.00 C ATOM 763 C SER A 58 -10.320 -8.061 2.202 1.00 0.00 C ATOM 764 O SER A 58 -9.176 -8.051 2.656 1.00 0.00 O ATOM 765 CB SER A 58 -10.098 -6.079 0.677 1.00 0.00 C ATOM 766 OG SER A 58 -10.791 -5.879 -0.553 1.00 0.00 O ATOM 0 H SER A 58 -10.716 -5.005 2.830 1.00 0.00 H new ATOM 0 HA SER A 58 -11.933 -7.003 1.257 1.00 0.00 H new ATOM 0 HB2 SER A 58 -9.759 -5.118 1.063 1.00 0.00 H new ATOM 0 HB3 SER A 58 -9.208 -6.683 0.498 1.00 0.00 H new ATOM 0 HG SER A 58 -10.197 -5.437 -1.195 1.00 0.00 H new ATOM 771 N GLN A 59 -11.071 -9.147 2.085 1.00 0.00 N ATOM 772 CA GLN A 59 -10.576 -10.448 2.500 1.00 0.00 C ATOM 773 C GLN A 59 -9.919 -11.167 1.319 1.00 0.00 C ATOM 774 O GLN A 59 -10.601 -11.811 0.523 1.00 0.00 O ATOM 775 CB GLN A 59 -11.698 -11.296 3.102 1.00 0.00 C ATOM 776 CG GLN A 59 -11.710 -11.184 4.628 1.00 0.00 C ATOM 777 CD GLN A 59 -12.897 -10.345 5.106 1.00 0.00 C ATOM 778 OE1 GLN A 59 -13.936 -10.273 4.471 1.00 0.00 O ATOM 779 NE2 GLN A 59 -12.685 -9.715 6.259 1.00 0.00 N ATOM 0 H GLN A 59 -12.019 -9.152 1.708 1.00 0.00 H new ATOM 0 HA GLN A 59 -9.824 -10.298 3.274 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -12.659 -10.972 2.702 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -11.567 -12.338 2.811 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -11.762 -12.179 5.069 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -10.779 -10.732 4.971 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -11.791 -9.818 6.740 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -13.416 -9.129 6.662 1.00 0.00 H new ATOM 786 N GLY A 60 -8.603 -11.032 1.242 1.00 0.00 N ATOM 787 CA GLY A 60 -7.847 -11.661 0.173 1.00 0.00 C ATOM 788 C GLY A 60 -6.899 -12.728 0.725 1.00 0.00 C ATOM 789 O GLY A 60 -6.017 -12.424 1.526 1.00 0.00 O ATOM 0 H GLY A 60 -8.041 -10.496 1.903 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -8.532 -12.114 -0.544 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.275 -10.906 -0.366 1.00 0.00 H new ATOM 793 N PHE A 61 -7.113 -13.955 0.273 1.00 0.00 N ATOM 794 CA PHE A 61 -6.289 -15.068 0.712 1.00 0.00 C ATOM 795 C PHE A 61 -6.129 -15.066 2.234 1.00 0.00 C ATOM 796 O PHE A 61 -5.286 -14.350 2.772 1.00 0.00 O ATOM 797 CB PHE A 61 -4.913 -14.887 0.067 1.00 0.00 C ATOM 798 CG PHE A 61 -4.726 -15.676 -1.231 1.00 0.00 C ATOM 799 CD1 PHE A 61 -5.081 -15.123 -2.421 1.00 0.00 C ATOM 800 CD2 PHE A 61 -4.203 -16.932 -1.193 1.00 0.00 C ATOM 801 CE1 PHE A 61 -4.906 -15.856 -3.625 1.00 0.00 C ATOM 802 CE2 PHE A 61 -4.029 -17.664 -2.397 1.00 0.00 C ATOM 803 CZ PHE A 61 -4.384 -17.111 -3.587 1.00 0.00 C ATOM 0 H PHE A 61 -7.845 -14.203 -0.393 1.00 0.00 H new ATOM 0 HA PHE A 61 -6.754 -16.011 0.424 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.755 -13.828 -0.138 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -4.146 -15.192 0.779 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -5.496 -14.126 -2.451 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -3.921 -17.371 -0.248 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -5.188 -15.417 -4.571 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -3.614 -18.661 -2.367 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.251 -17.669 -4.502 1.00 0.00 H new ATOM 812 N SER A 62 -6.952 -15.875 2.884 1.00 0.00 N ATOM 813 CA SER A 62 -6.913 -15.976 4.333 1.00 0.00 C ATOM 814 C SER A 62 -7.622 -17.253 4.788 1.00 0.00 C ATOM 815 O SER A 62 -8.650 -17.630 4.227 1.00 0.00 O ATOM 816 CB SER A 62 -7.554 -14.751 4.987 1.00 0.00 C ATOM 817 OG SER A 62 -8.885 -14.535 4.528 1.00 0.00 O ATOM 0 H SER A 62 -7.650 -16.467 2.434 1.00 0.00 H new ATOM 0 HA SER A 62 -5.870 -16.017 4.645 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.560 -14.880 6.069 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.950 -13.869 4.775 1.00 0.00 H new ATOM 0 HG SER A 62 -9.259 -13.745 4.971 1.00 0.00 H new ATOM 822 N GLY A 63 -7.046 -17.883 5.801 1.00 0.00 N ATOM 823 CA GLY A 63 -7.610 -19.111 6.337 1.00 0.00 C ATOM 824 C GLY A 63 -6.646 -19.770 7.326 1.00 0.00 C ATOM 825 O GLY A 63 -5.441 -19.528 7.280 1.00 0.00 O ATOM 0 H GLY A 63 -6.195 -17.567 6.265 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -8.556 -18.895 6.834 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.829 -19.801 5.522 1.00 0.00 H new ATOM 829 N PRO A 64 -7.229 -20.612 8.221 1.00 0.00 N ATOM 830 CA PRO A 64 -6.435 -21.309 9.219 1.00 0.00 C ATOM 831 C PRO A 64 -5.652 -22.462 8.590 1.00 0.00 C ATOM 832 O PRO A 64 -6.242 -23.384 8.027 1.00 0.00 O ATOM 833 CB PRO A 64 -7.436 -21.771 10.265 1.00 0.00 C ATOM 834 CG PRO A 64 -8.797 -21.724 9.589 1.00 0.00 C ATOM 835 CD PRO A 64 -8.652 -20.923 8.306 1.00 0.00 C ATOM 0 HA PRO A 64 -5.673 -20.673 9.670 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.205 -22.779 10.608 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.412 -21.123 11.141 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -9.151 -22.732 9.372 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -9.534 -21.262 10.246 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -8.984 -21.497 7.441 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -9.254 -20.015 8.336 1.00 0.00 H new ATOM 840 N SER A 65 -4.335 -22.376 8.707 1.00 0.00 N ATOM 841 CA SER A 65 -3.466 -23.400 8.157 1.00 0.00 C ATOM 842 C SER A 65 -3.704 -23.537 6.652 1.00 0.00 C ATOM 843 O SER A 65 -4.648 -24.201 6.227 1.00 0.00 O ATOM 844 CB SER A 65 -3.689 -24.744 8.853 1.00 0.00 C ATOM 845 OG SER A 65 -3.202 -24.739 10.192 1.00 0.00 O ATOM 0 H SER A 65 -3.849 -21.611 9.176 1.00 0.00 H new ATOM 0 HA SER A 65 -2.433 -23.099 8.329 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.753 -24.979 8.855 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.190 -25.532 8.289 1.00 0.00 H new ATOM 0 HG SER A 65 -3.365 -25.614 10.602 1.00 0.00 H new ATOM 850 N SER A 66 -2.832 -22.897 5.887 1.00 0.00 N ATOM 851 CA SER A 66 -2.935 -22.939 4.438 1.00 0.00 C ATOM 852 C SER A 66 -1.547 -23.112 3.818 1.00 0.00 C ATOM 853 O SER A 66 -0.832 -22.134 3.604 1.00 0.00 O ATOM 854 CB SER A 66 -3.604 -21.673 3.897 1.00 0.00 C ATOM 855 OG SER A 66 -4.892 -21.463 4.469 1.00 0.00 O ATOM 0 H SER A 66 -2.051 -22.346 6.243 1.00 0.00 H new ATOM 0 HA SER A 66 -3.556 -23.792 4.164 1.00 0.00 H new ATOM 0 HB2 SER A 66 -2.970 -20.811 4.105 1.00 0.00 H new ATOM 0 HB3 SER A 66 -3.696 -21.747 2.813 1.00 0.00 H new ATOM 0 HG SER A 66 -5.285 -20.645 4.099 1.00 0.00 H new ATOM 860 N GLY A 67 -1.208 -24.364 3.547 1.00 0.00 N ATOM 861 CA GLY A 67 0.082 -24.679 2.957 1.00 0.00 C ATOM 862 C GLY A 67 -0.027 -24.805 1.437 1.00 0.00 C ATOM 863 O GLY A 67 0.804 -25.451 0.802 1.00 0.00 O ATOM 0 H GLY A 67 -1.804 -25.172 3.725 1.00 0.00 H new ATOM 0 HA2 GLY A 67 0.802 -23.900 3.210 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.460 -25.611 3.377 1.00 0.00 H new TER 867 GLY A 67