USER MOD reduce.3.24.130724 H: found=0, std=0, add=389, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 386 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 36 THR OG1 : rot -17:sc= 1.23 USER MOD Set 1.2: A 38 THR OG1 : rot 90:sc= 0.979 USER MOD Set 2.1: A 18 ASN : amide:sc= -2.68! C(o=-14!,f=-14!) USER MOD Set 2.2: A 35 ASN : amide:sc= -11.2! C(o=-14!,f=-8.9!) 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 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.131 X(o=-0.13,f=-0.6) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.0345 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= -1.77! X(o=-1.8!,f=-1.8) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -5.15! C(o=-5.1!,f=-3.9!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 GLN : amide:sc= -1.72 K(o=-1.7,f=-1.1) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 73:sc= 0.00122 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -25.172 2.053 -13.629 1.00 0.00 N ATOM 2 CA GLY A 1 -24.270 3.182 -13.755 1.00 0.00 C ATOM 3 C GLY A 1 -24.688 4.138 -14.855 1.00 0.00 C ATOM 4 O GLY A 1 -25.064 3.712 -15.947 1.00 0.00 O ATOM 0 H1 GLY A 1 -24.843 1.430 -12.864 1.00 0.00 H new ATOM 0 H2 GLY A 1 -26.129 2.396 -13.409 1.00 0.00 H new ATOM 0 H3 GLY A 1 -25.192 1.523 -14.524 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -24.230 3.719 -12.807 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -23.263 2.818 -13.958 1.00 0.00 H new ATOM 8 N SER A 2 -24.624 5.434 -14.567 1.00 0.00 N ATOM 9 CA SER A 2 -25.004 6.453 -15.538 1.00 0.00 C ATOM 10 C SER A 2 -23.827 7.372 -15.850 1.00 0.00 C ATOM 11 O SER A 2 -23.364 7.441 -16.989 1.00 0.00 O ATOM 12 CB SER A 2 -26.182 7.275 -15.012 1.00 0.00 C ATOM 13 OG SER A 2 -27.384 6.525 -15.048 1.00 0.00 O ATOM 0 H SER A 2 -24.312 5.803 -13.669 1.00 0.00 H new ATOM 0 HA SER A 2 -25.303 5.950 -16.457 1.00 0.00 H new ATOM 0 HB2 SER A 2 -25.979 7.594 -13.990 1.00 0.00 H new ATOM 0 HB3 SER A 2 -26.295 8.178 -15.611 1.00 0.00 H new ATOM 0 HG SER A 2 -28.121 7.072 -14.705 1.00 0.00 H new ATOM 19 N SER A 3 -23.348 8.077 -14.830 1.00 0.00 N ATOM 20 CA SER A 3 -22.228 8.996 -14.995 1.00 0.00 C ATOM 21 C SER A 3 -21.184 8.781 -13.904 1.00 0.00 C ATOM 22 O SER A 3 -21.438 9.035 -12.727 1.00 0.00 O ATOM 23 CB SER A 3 -22.720 10.444 -14.967 1.00 0.00 C ATOM 24 OG SER A 3 -21.800 11.308 -15.612 1.00 0.00 O ATOM 0 H SER A 3 -23.718 8.029 -13.881 1.00 0.00 H new ATOM 0 HA SER A 3 -21.765 8.796 -15.961 1.00 0.00 H new ATOM 0 HB2 SER A 3 -23.691 10.511 -15.457 1.00 0.00 H new ATOM 0 HB3 SER A 3 -22.861 10.763 -13.934 1.00 0.00 H new ATOM 0 HG SER A 3 -22.138 12.227 -15.582 1.00 0.00 H new ATOM 30 N GLY A 4 -20.006 8.309 -14.304 1.00 0.00 N ATOM 31 CA GLY A 4 -18.941 8.067 -13.350 1.00 0.00 C ATOM 32 C GLY A 4 -17.595 8.559 -13.845 1.00 0.00 C ATOM 33 O GLY A 4 -17.358 8.629 -15.051 1.00 0.00 O ATOM 0 H GLY A 4 -19.772 8.090 -15.272 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -19.181 8.562 -12.409 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.880 6.999 -13.142 1.00 0.00 H new ATOM 37 N SER A 5 -16.712 8.902 -12.913 1.00 0.00 N ATOM 38 CA SER A 5 -15.385 9.395 -13.262 1.00 0.00 C ATOM 39 C SER A 5 -14.462 8.244 -13.648 1.00 0.00 C ATOM 40 O SER A 5 -14.584 7.135 -13.128 1.00 0.00 O ATOM 41 CB SER A 5 -14.784 10.176 -12.091 1.00 0.00 C ATOM 42 OG SER A 5 -13.530 10.734 -12.441 1.00 0.00 O ATOM 0 H SER A 5 -16.892 8.848 -11.910 1.00 0.00 H new ATOM 0 HA SER A 5 -15.485 10.060 -14.120 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.468 10.970 -11.790 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.665 9.515 -11.232 1.00 0.00 H new ATOM 0 HG SER A 5 -13.168 11.229 -11.677 1.00 0.00 H new ATOM 48 N SER A 6 -13.537 8.516 -14.563 1.00 0.00 N ATOM 49 CA SER A 6 -12.594 7.503 -15.022 1.00 0.00 C ATOM 50 C SER A 6 -11.990 6.748 -13.842 1.00 0.00 C ATOM 51 O SER A 6 -11.912 7.270 -12.730 1.00 0.00 O ATOM 52 CB SER A 6 -11.482 8.149 -15.851 1.00 0.00 C ATOM 53 OG SER A 6 -10.749 9.085 -15.080 1.00 0.00 O ATOM 0 H SER A 6 -13.421 9.430 -15.001 1.00 0.00 H new ATOM 0 HA SER A 6 -13.137 6.793 -15.646 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.810 7.378 -16.228 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.914 8.647 -16.719 1.00 0.00 H new ATOM 0 HG SER A 6 -10.043 9.482 -15.632 1.00 0.00 H new ATOM 59 N GLY A 7 -11.564 5.514 -14.092 1.00 0.00 N ATOM 60 CA GLY A 7 -10.973 4.705 -13.042 1.00 0.00 C ATOM 61 C GLY A 7 -10.831 3.250 -13.441 1.00 0.00 C ATOM 62 O GLY A 7 -11.419 2.368 -12.815 1.00 0.00 O ATOM 0 H GLY A 7 -11.618 5.060 -15.004 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.992 5.106 -12.787 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.588 4.774 -12.145 1.00 0.00 H new ATOM 66 N ALA A 8 -10.051 2.998 -14.487 1.00 0.00 N ATOM 67 CA ALA A 8 -9.833 1.639 -14.968 1.00 0.00 C ATOM 68 C ALA A 8 -9.662 0.666 -13.807 1.00 0.00 C ATOM 69 O ALA A 8 -8.911 0.932 -12.869 1.00 0.00 O ATOM 70 CB ALA A 8 -8.619 1.591 -15.883 1.00 0.00 C ATOM 0 H ALA A 8 -9.559 3.717 -15.018 1.00 0.00 H new ATOM 0 HA ALA A 8 -10.713 1.336 -15.535 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -8.468 0.570 -16.234 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -8.781 2.249 -16.737 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -7.736 1.920 -15.334 1.00 0.00 H new ATOM 76 N GLU A 9 -10.363 -0.461 -13.876 1.00 0.00 N ATOM 77 CA GLU A 9 -10.288 -1.473 -12.829 1.00 0.00 C ATOM 78 C GLU A 9 -8.945 -2.196 -12.865 1.00 0.00 C ATOM 79 O GLU A 9 -8.621 -2.877 -13.838 1.00 0.00 O ATOM 80 CB GLU A 9 -11.427 -2.482 -12.981 1.00 0.00 C ATOM 81 CG GLU A 9 -12.808 -1.877 -12.787 1.00 0.00 C ATOM 82 CD GLU A 9 -13.912 -2.915 -12.830 1.00 0.00 C ATOM 83 OE1 GLU A 9 -13.710 -4.020 -12.283 1.00 0.00 O ATOM 84 OE2 GLU A 9 -14.978 -2.623 -13.410 1.00 0.00 O ATOM 0 H GLU A 9 -10.989 -0.696 -14.646 1.00 0.00 H new ATOM 0 HA GLU A 9 -10.384 -0.970 -11.867 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -11.373 -2.931 -13.973 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -11.287 -3.286 -12.258 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -12.841 -1.357 -11.830 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -12.986 -1.131 -13.562 1.00 0.00 H new ATOM 91 N ASP A 10 -8.168 -2.042 -11.799 1.00 0.00 N ATOM 92 CA ASP A 10 -6.859 -2.680 -11.708 1.00 0.00 C ATOM 93 C ASP A 10 -6.506 -2.990 -10.257 1.00 0.00 C ATOM 94 O ASP A 10 -6.385 -2.086 -9.431 1.00 0.00 O ATOM 95 CB ASP A 10 -5.786 -1.783 -12.327 1.00 0.00 C ATOM 96 CG ASP A 10 -4.386 -2.172 -11.896 1.00 0.00 C ATOM 97 OD1 ASP A 10 -3.997 -3.337 -12.125 1.00 0.00 O ATOM 98 OD2 ASP A 10 -3.679 -1.313 -11.330 1.00 0.00 O ATOM 0 H ASP A 10 -8.421 -1.481 -10.986 1.00 0.00 H new ATOM 0 HA ASP A 10 -6.900 -3.618 -12.262 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -5.856 -1.835 -13.414 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -5.975 -0.747 -12.045 1.00 0.00 H new ATOM 103 N ASN A 11 -6.343 -4.273 -9.954 1.00 0.00 N ATOM 104 CA ASN A 11 -6.005 -4.703 -8.602 1.00 0.00 C ATOM 105 C ASN A 11 -4.625 -5.352 -8.566 1.00 0.00 C ATOM 106 O ASN A 11 -4.502 -6.577 -8.597 1.00 0.00 O ATOM 107 CB ASN A 11 -7.056 -5.683 -8.078 1.00 0.00 C ATOM 108 CG ASN A 11 -7.552 -6.628 -9.155 1.00 0.00 C ATOM 109 OD1 ASN A 11 -8.354 -6.249 -10.008 1.00 0.00 O ATOM 110 ND2 ASN A 11 -7.076 -7.868 -9.120 1.00 0.00 N ATOM 0 H ASN A 11 -6.439 -5.034 -10.627 1.00 0.00 H new ATOM 0 HA ASN A 11 -5.989 -3.822 -7.961 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -6.632 -6.262 -7.257 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -7.899 -5.124 -7.672 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -7.374 -8.549 -9.819 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -6.412 -8.139 -8.394 1.00 0.00 H new ATOM 117 N LEU A 12 -3.589 -4.523 -8.500 1.00 0.00 N ATOM 118 CA LEU A 12 -2.216 -5.015 -8.459 1.00 0.00 C ATOM 119 C LEU A 12 -1.862 -5.527 -7.066 1.00 0.00 C ATOM 120 O LEU A 12 -2.650 -5.404 -6.130 1.00 0.00 O ATOM 121 CB LEU A 12 -1.244 -3.908 -8.870 1.00 0.00 C ATOM 122 CG LEU A 12 -1.117 -3.651 -10.372 1.00 0.00 C ATOM 123 CD1 LEU A 12 -0.556 -2.261 -10.630 1.00 0.00 C ATOM 124 CD2 LEU A 12 -0.239 -4.711 -11.023 1.00 0.00 C ATOM 0 H LEU A 12 -3.673 -3.507 -8.474 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.132 -5.843 -9.163 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.555 -2.981 -8.388 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.257 -4.155 -8.479 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.111 -3.708 -10.816 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.473 -2.096 -11.704 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.222 -1.514 -10.199 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.430 -2.176 -10.172 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.160 -4.512 -12.092 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.754 -4.686 -10.575 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.682 -5.695 -10.869 1.00 0.00 H new ATOM 136 N GLY A 13 -0.669 -6.100 -6.937 1.00 0.00 N ATOM 137 CA GLY A 13 -0.231 -6.619 -5.655 1.00 0.00 C ATOM 138 C GLY A 13 -0.344 -5.594 -4.544 1.00 0.00 C ATOM 139 O GLY A 13 -0.593 -4.412 -4.784 1.00 0.00 O ATOM 0 H GLY A 13 0.001 -6.214 -7.697 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -0.827 -7.495 -5.399 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.804 -6.950 -5.735 1.00 0.00 H new ATOM 143 N PRO A 14 -0.161 -6.046 -3.295 1.00 0.00 N ATOM 144 CA PRO A 14 -0.241 -5.176 -2.118 1.00 0.00 C ATOM 145 C PRO A 14 0.927 -4.198 -2.040 1.00 0.00 C ATOM 146 O PRO A 14 2.031 -4.497 -2.496 1.00 0.00 O ATOM 147 CB PRO A 14 -0.195 -6.159 -0.946 1.00 0.00 C ATOM 148 CG PRO A 14 0.514 -7.354 -1.481 1.00 0.00 C ATOM 149 CD PRO A 14 0.138 -7.442 -2.935 1.00 0.00 C ATOM 0 HA PRO A 14 -1.134 -4.551 -2.133 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.334 -5.734 -0.093 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -1.198 -6.414 -0.604 1.00 0.00 H new ATOM 0 HG2 PRO A 14 1.593 -7.253 -1.362 1.00 0.00 H new ATOM 0 HG3 PRO A 14 0.217 -8.256 -0.946 1.00 0.00 H new ATOM 0 HD2 PRO A 14 0.952 -7.847 -3.537 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -0.725 -8.090 -3.088 1.00 0.00 H new ATOM 157 N LEU A 15 0.677 -3.030 -1.459 1.00 0.00 N ATOM 158 CA LEU A 15 1.708 -2.008 -1.320 1.00 0.00 C ATOM 159 C LEU A 15 2.980 -2.597 -0.718 1.00 0.00 C ATOM 160 O LEU A 15 2.958 -3.622 -0.037 1.00 0.00 O ATOM 161 CB LEU A 15 1.201 -0.859 -0.446 1.00 0.00 C ATOM 162 CG LEU A 15 0.242 0.123 -1.120 1.00 0.00 C ATOM 163 CD1 LEU A 15 -0.704 0.731 -0.096 1.00 0.00 C ATOM 164 CD2 LEU A 15 1.018 1.212 -1.846 1.00 0.00 C ATOM 0 H LEU A 15 -0.231 -2.767 -1.076 1.00 0.00 H new ATOM 0 HA LEU A 15 1.941 -1.625 -2.313 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.702 -1.284 0.425 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.062 -0.301 -0.079 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.352 -0.422 -1.854 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.379 1.427 -0.593 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.284 -0.061 0.379 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.128 1.263 0.661 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.320 1.902 -2.320 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.637 1.755 -1.132 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.654 0.760 -2.607 1.00 0.00 H new ATOM 176 N PRO A 16 4.118 -1.933 -0.973 1.00 0.00 N ATOM 177 CA PRO A 16 5.421 -2.371 -0.464 1.00 0.00 C ATOM 178 C PRO A 16 5.542 -2.195 1.046 1.00 0.00 C ATOM 179 O PRO A 16 4.542 -2.018 1.741 1.00 0.00 O ATOM 180 CB PRO A 16 6.411 -1.456 -1.190 1.00 0.00 C ATOM 181 CG PRO A 16 5.625 -0.235 -1.522 1.00 0.00 C ATOM 182 CD PRO A 16 4.219 -0.704 -1.778 1.00 0.00 C ATOM 0 HA PRO A 16 5.592 -3.433 -0.641 1.00 0.00 H new ATOM 0 HB2 PRO A 16 7.266 -1.217 -0.557 1.00 0.00 H new ATOM 0 HB3 PRO A 16 6.803 -1.931 -2.089 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.654 0.482 -0.702 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.035 0.266 -2.399 1.00 0.00 H new ATOM 0 HD2 PRO A 16 3.485 0.040 -1.469 1.00 0.00 H new ATOM 0 HD3 PRO A 16 4.048 -0.901 -2.836 1.00 0.00 H new ATOM 190 N GLU A 17 6.772 -2.245 1.546 1.00 0.00 N ATOM 191 CA GLU A 17 7.022 -2.091 2.975 1.00 0.00 C ATOM 192 C GLU A 17 7.509 -0.680 3.293 1.00 0.00 C ATOM 193 O GLU A 17 7.486 -0.250 4.446 1.00 0.00 O ATOM 194 CB GLU A 17 8.054 -3.117 3.448 1.00 0.00 C ATOM 195 CG GLU A 17 9.438 -2.905 2.858 1.00 0.00 C ATOM 196 CD GLU A 17 9.606 -3.576 1.509 1.00 0.00 C ATOM 197 OE1 GLU A 17 8.871 -4.547 1.233 1.00 0.00 O ATOM 198 OE2 GLU A 17 10.474 -3.130 0.730 1.00 0.00 O ATOM 0 H GLU A 17 7.611 -2.391 0.984 1.00 0.00 H new ATOM 0 HA GLU A 17 6.083 -2.260 3.503 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.122 -3.077 4.535 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.706 -4.116 3.187 1.00 0.00 H new ATOM 0 HG2 GLU A 17 9.625 -1.836 2.754 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.187 -3.293 3.549 1.00 0.00 H new ATOM 205 N ASN A 18 7.949 0.034 2.263 1.00 0.00 N ATOM 206 CA ASN A 18 8.443 1.396 2.432 1.00 0.00 C ATOM 207 C ASN A 18 7.350 2.414 2.118 1.00 0.00 C ATOM 208 O ASN A 18 7.636 3.572 1.814 1.00 0.00 O ATOM 209 CB ASN A 18 9.655 1.637 1.530 1.00 0.00 C ATOM 210 CG ASN A 18 9.549 0.899 0.210 1.00 0.00 C ATOM 211 OD1 ASN A 18 9.336 -0.313 0.179 1.00 0.00 O ATOM 212 ND2 ASN A 18 9.698 1.628 -0.890 1.00 0.00 N ATOM 0 H ASN A 18 7.974 -0.307 1.302 1.00 0.00 H new ATOM 0 HA ASN A 18 8.743 1.521 3.472 1.00 0.00 H new ATOM 0 HB2 ASN A 18 9.755 2.705 1.339 1.00 0.00 H new ATOM 0 HB3 ASN A 18 10.560 1.320 2.049 1.00 0.00 H new ATOM 0 HD21 ASN A 18 9.637 1.186 -1.807 1.00 0.00 H new ATOM 0 HD22 ASN A 18 9.873 2.630 -0.818 1.00 0.00 H new ATOM 219 N TRP A 19 6.100 1.973 2.195 1.00 0.00 N ATOM 220 CA TRP A 19 4.964 2.846 1.919 1.00 0.00 C ATOM 221 C TRP A 19 3.869 2.661 2.964 1.00 0.00 C ATOM 222 O TRP A 19 3.832 1.649 3.664 1.00 0.00 O ATOM 223 CB TRP A 19 4.406 2.565 0.523 1.00 0.00 C ATOM 224 CG TRP A 19 5.284 3.072 -0.581 1.00 0.00 C ATOM 225 CD1 TRP A 19 6.535 2.629 -0.901 1.00 0.00 C ATOM 226 CD2 TRP A 19 4.977 4.118 -1.508 1.00 0.00 C ATOM 227 NE1 TRP A 19 7.025 3.338 -1.972 1.00 0.00 N ATOM 228 CE2 TRP A 19 6.087 4.257 -2.363 1.00 0.00 C ATOM 229 CE3 TRP A 19 3.871 4.951 -1.701 1.00 0.00 C ATOM 230 CZ2 TRP A 19 6.122 5.194 -3.392 1.00 0.00 C ATOM 231 CZ3 TRP A 19 3.907 5.881 -2.722 1.00 0.00 C ATOM 232 CH2 TRP A 19 5.026 5.996 -3.557 1.00 0.00 C ATOM 0 H TRP A 19 5.847 1.017 2.446 1.00 0.00 H new ATOM 0 HA TRP A 19 5.312 3.878 1.963 1.00 0.00 H new ATOM 0 HB2 TRP A 19 4.269 1.490 0.404 1.00 0.00 H new ATOM 0 HB3 TRP A 19 3.421 3.024 0.434 1.00 0.00 H new ATOM 0 HD1 TRP A 19 7.062 1.838 -0.388 1.00 0.00 H new ATOM 0 HE1 TRP A 19 7.938 3.202 -2.405 1.00 0.00 H new ATOM 0 HE3 TRP A 19 3.003 4.869 -1.063 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 6.984 5.285 -4.037 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 3.058 6.530 -2.879 1.00 0.00 H new ATOM 0 HH2 TRP A 19 5.023 6.733 -4.347 1.00 0.00 H new ATOM 243 N GLU A 20 2.980 3.644 3.064 1.00 0.00 N ATOM 244 CA GLU A 20 1.885 3.588 4.026 1.00 0.00 C ATOM 245 C GLU A 20 0.706 4.436 3.557 1.00 0.00 C ATOM 246 O GLU A 20 0.794 5.662 3.501 1.00 0.00 O ATOM 247 CB GLU A 20 2.358 4.067 5.400 1.00 0.00 C ATOM 248 CG GLU A 20 1.605 3.435 6.558 1.00 0.00 C ATOM 249 CD GLU A 20 2.342 3.569 7.876 1.00 0.00 C ATOM 250 OE1 GLU A 20 2.200 4.624 8.530 1.00 0.00 O ATOM 251 OE2 GLU A 20 3.060 2.620 8.254 1.00 0.00 O ATOM 0 H GLU A 20 2.996 4.488 2.491 1.00 0.00 H new ATOM 0 HA GLU A 20 1.557 2.552 4.105 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.420 3.848 5.506 1.00 0.00 H new ATOM 0 HB3 GLU A 20 2.249 5.150 5.455 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.624 3.901 6.646 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.438 2.379 6.345 1.00 0.00 H new ATOM 258 N MET A 21 -0.395 3.773 3.222 1.00 0.00 N ATOM 259 CA MET A 21 -1.592 4.465 2.759 1.00 0.00 C ATOM 260 C MET A 21 -2.485 4.853 3.933 1.00 0.00 C ATOM 261 O MET A 21 -2.968 3.992 4.668 1.00 0.00 O ATOM 262 CB MET A 21 -2.371 3.584 1.780 1.00 0.00 C ATOM 263 CG MET A 21 -3.612 4.254 1.214 1.00 0.00 C ATOM 264 SD MET A 21 -4.268 3.395 -0.229 1.00 0.00 S ATOM 265 CE MET A 21 -5.229 2.102 0.554 1.00 0.00 C ATOM 0 H MET A 21 -0.484 2.758 3.262 1.00 0.00 H new ATOM 0 HA MET A 21 -1.279 5.375 2.247 1.00 0.00 H new ATOM 0 HB2 MET A 21 -1.714 3.301 0.958 1.00 0.00 H new ATOM 0 HB3 MET A 21 -2.664 2.664 2.286 1.00 0.00 H new ATOM 0 HG2 MET A 21 -4.380 4.298 1.986 1.00 0.00 H new ATOM 0 HG3 MET A 21 -3.373 5.282 0.942 1.00 0.00 H new ATOM 0 HE1 MET A 21 -5.699 1.484 -0.211 1.00 0.00 H new ATOM 0 HE2 MET A 21 -4.575 1.484 1.169 1.00 0.00 H new ATOM 0 HE3 MET A 21 -5.999 2.550 1.181 1.00 0.00 H new ATOM 275 N ALA A 22 -2.699 6.153 4.104 1.00 0.00 N ATOM 276 CA ALA A 22 -3.535 6.654 5.189 1.00 0.00 C ATOM 277 C ALA A 22 -4.382 7.836 4.728 1.00 0.00 C ATOM 278 O ALA A 22 -4.083 8.469 3.716 1.00 0.00 O ATOM 279 CB ALA A 22 -2.674 7.050 6.379 1.00 0.00 C ATOM 0 H ALA A 22 -2.305 6.879 3.505 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.210 5.854 5.494 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -3.311 7.422 7.181 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.118 6.181 6.731 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.975 7.831 6.079 1.00 0.00 H new ATOM 285 N TYR A 23 -5.439 8.127 5.478 1.00 0.00 N ATOM 286 CA TYR A 23 -6.331 9.232 5.145 1.00 0.00 C ATOM 287 C TYR A 23 -6.122 10.406 6.096 1.00 0.00 C ATOM 288 O TYR A 23 -5.917 10.221 7.296 1.00 0.00 O ATOM 289 CB TYR A 23 -7.788 8.771 5.198 1.00 0.00 C ATOM 290 CG TYR A 23 -8.070 7.553 4.348 1.00 0.00 C ATOM 291 CD1 TYR A 23 -7.444 6.340 4.609 1.00 0.00 C ATOM 292 CD2 TYR A 23 -8.960 7.614 3.283 1.00 0.00 C ATOM 293 CE1 TYR A 23 -7.697 5.224 3.835 1.00 0.00 C ATOM 294 CE2 TYR A 23 -9.220 6.503 2.505 1.00 0.00 C ATOM 295 CZ TYR A 23 -8.586 5.310 2.784 1.00 0.00 C ATOM 296 OH TYR A 23 -8.842 4.202 2.011 1.00 0.00 O ATOM 0 H TYR A 23 -5.699 7.614 6.320 1.00 0.00 H new ATOM 0 HA TYR A 23 -6.098 9.562 4.133 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.053 8.551 6.232 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -8.431 9.588 4.871 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -6.748 6.269 5.431 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -9.457 8.546 3.060 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -7.201 4.289 4.052 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -9.916 6.568 1.682 1.00 0.00 H new ATOM 0 HH TYR A 23 -9.492 4.432 1.314 1.00 0.00 H new ATOM 306 N THR A 24 -6.176 11.618 5.550 1.00 0.00 N ATOM 307 CA THR A 24 -5.992 12.824 6.348 1.00 0.00 C ATOM 308 C THR A 24 -7.191 13.069 7.257 1.00 0.00 C ATOM 309 O THR A 24 -8.307 12.649 6.954 1.00 0.00 O ATOM 310 CB THR A 24 -5.778 14.060 5.455 1.00 0.00 C ATOM 311 OG1 THR A 24 -6.981 14.363 4.740 1.00 0.00 O ATOM 312 CG2 THR A 24 -4.642 13.826 4.470 1.00 0.00 C ATOM 0 H THR A 24 -6.346 11.790 4.559 1.00 0.00 H new ATOM 0 HA THR A 24 -5.103 12.668 6.958 1.00 0.00 H new ATOM 0 HB THR A 24 -5.515 14.902 6.096 1.00 0.00 H new ATOM 0 HG1 THR A 24 -6.837 15.151 4.176 1.00 0.00 H new ATOM 0 HG21 THR A 24 -4.510 14.713 3.850 1.00 0.00 H new ATOM 0 HG22 THR A 24 -3.721 13.625 5.018 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.880 12.972 3.836 1.00 0.00 H new ATOM 320 N GLU A 25 -6.952 13.753 8.372 1.00 0.00 N ATOM 321 CA GLU A 25 -8.014 14.053 9.325 1.00 0.00 C ATOM 322 C GLU A 25 -9.318 14.379 8.602 1.00 0.00 C ATOM 323 O GLU A 25 -10.391 13.932 9.003 1.00 0.00 O ATOM 324 CB GLU A 25 -7.609 15.225 10.221 1.00 0.00 C ATOM 325 CG GLU A 25 -8.291 15.217 11.579 1.00 0.00 C ATOM 326 CD GLU A 25 -8.039 13.937 12.351 1.00 0.00 C ATOM 327 OE1 GLU A 25 -6.972 13.832 12.993 1.00 0.00 O ATOM 328 OE2 GLU A 25 -8.906 13.040 12.313 1.00 0.00 O ATOM 0 H GLU A 25 -6.034 14.109 8.637 1.00 0.00 H new ATOM 0 HA GLU A 25 -8.172 13.169 9.943 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.529 15.204 10.366 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.844 16.159 9.711 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.937 16.066 12.164 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.364 15.350 11.443 1.00 0.00 H new ATOM 335 N ASN A 26 -9.215 15.163 7.533 1.00 0.00 N ATOM 336 CA ASN A 26 -10.385 15.550 6.754 1.00 0.00 C ATOM 337 C ASN A 26 -11.059 14.327 6.139 1.00 0.00 C ATOM 338 O ASN A 26 -12.285 14.228 6.115 1.00 0.00 O ATOM 339 CB ASN A 26 -9.987 16.534 5.652 1.00 0.00 C ATOM 340 CG ASN A 26 -9.883 17.960 6.159 1.00 0.00 C ATOM 341 OD1 ASN A 26 -9.226 18.226 7.165 1.00 0.00 O ATOM 342 ND2 ASN A 26 -10.535 18.884 5.463 1.00 0.00 N ATOM 0 H ASN A 26 -8.334 15.542 7.187 1.00 0.00 H new ATOM 0 HA ASN A 26 -11.094 16.034 7.426 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -9.030 16.232 5.227 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -10.721 16.490 4.847 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -10.503 19.860 5.757 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -11.067 18.617 4.635 1.00 0.00 H new ATOM 349 N GLY A 27 -10.248 13.397 5.644 1.00 0.00 N ATOM 350 CA GLY A 27 -10.783 12.193 5.037 1.00 0.00 C ATOM 351 C GLY A 27 -10.233 11.951 3.646 1.00 0.00 C ATOM 352 O GLY A 27 -10.822 11.211 2.859 1.00 0.00 O ATOM 0 H GLY A 27 -9.230 13.456 5.653 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.551 11.337 5.670 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -11.869 12.267 4.987 1.00 0.00 H new ATOM 356 N GLU A 28 -9.100 12.577 3.342 1.00 0.00 N ATOM 357 CA GLU A 28 -8.472 12.427 2.034 1.00 0.00 C ATOM 358 C GLU A 28 -7.421 11.321 2.059 1.00 0.00 C ATOM 359 O GLU A 28 -6.455 11.384 2.820 1.00 0.00 O ATOM 360 CB GLU A 28 -7.831 13.746 1.598 1.00 0.00 C ATOM 361 CG GLU A 28 -8.827 14.881 1.430 1.00 0.00 C ATOM 362 CD GLU A 28 -9.424 14.932 0.038 1.00 0.00 C ATOM 363 OE1 GLU A 28 -8.763 15.477 -0.872 1.00 0.00 O ATOM 364 OE2 GLU A 28 -10.552 14.427 -0.143 1.00 0.00 O ATOM 0 H GLU A 28 -8.599 13.192 3.983 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.245 12.153 1.317 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.082 14.037 2.335 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.307 13.591 0.655 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.628 14.768 2.161 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.332 15.828 1.644 1.00 0.00 H new ATOM 371 N VAL A 29 -7.617 10.307 1.222 1.00 0.00 N ATOM 372 CA VAL A 29 -6.687 9.187 1.147 1.00 0.00 C ATOM 373 C VAL A 29 -5.401 9.588 0.432 1.00 0.00 C ATOM 374 O VAL A 29 -5.437 10.171 -0.652 1.00 0.00 O ATOM 375 CB VAL A 29 -7.314 7.985 0.417 1.00 0.00 C ATOM 376 CG1 VAL A 29 -7.400 8.253 -1.078 1.00 0.00 C ATOM 377 CG2 VAL A 29 -6.518 6.719 0.695 1.00 0.00 C ATOM 0 H VAL A 29 -8.412 10.238 0.586 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.455 8.899 2.172 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.326 7.841 0.794 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -7.846 7.392 -1.577 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.017 9.134 -1.255 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -6.399 8.425 -1.475 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -6.975 5.879 0.171 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.493 6.850 0.347 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -6.514 6.520 1.767 1.00 0.00 H new ATOM 387 N TYR A 30 -4.267 9.270 1.045 1.00 0.00 N ATOM 388 CA TYR A 30 -2.968 9.599 0.468 1.00 0.00 C ATOM 389 C TYR A 30 -1.987 8.443 0.641 1.00 0.00 C ATOM 390 O TYR A 30 -2.250 7.497 1.383 1.00 0.00 O ATOM 391 CB TYR A 30 -2.403 10.863 1.117 1.00 0.00 C ATOM 392 CG TYR A 30 -2.206 10.741 2.611 1.00 0.00 C ATOM 393 CD1 TYR A 30 -3.262 10.944 3.490 1.00 0.00 C ATOM 394 CD2 TYR A 30 -0.963 10.421 3.143 1.00 0.00 C ATOM 395 CE1 TYR A 30 -3.085 10.833 4.856 1.00 0.00 C ATOM 396 CE2 TYR A 30 -0.777 10.307 4.507 1.00 0.00 C ATOM 397 CZ TYR A 30 -1.842 10.515 5.359 1.00 0.00 C ATOM 398 OH TYR A 30 -1.662 10.403 6.719 1.00 0.00 O ATOM 0 H TYR A 30 -4.220 8.785 1.941 1.00 0.00 H new ATOM 0 HA TYR A 30 -3.107 9.778 -0.598 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -1.447 11.104 0.652 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -3.075 11.697 0.915 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.238 11.193 3.099 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -0.127 10.259 2.478 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -3.917 10.995 5.526 1.00 0.00 H new ATOM 0 HE2 TYR A 30 0.196 10.057 4.904 1.00 0.00 H new ATOM 0 HH TYR A 30 -0.728 10.173 6.908 1.00 0.00 H new ATOM 408 N PHE A 31 -0.855 8.528 -0.050 1.00 0.00 N ATOM 409 CA PHE A 31 0.166 7.490 0.025 1.00 0.00 C ATOM 410 C PHE A 31 1.474 8.053 0.574 1.00 0.00 C ATOM 411 O PHE A 31 2.030 9.005 0.027 1.00 0.00 O ATOM 412 CB PHE A 31 0.403 6.876 -1.356 1.00 0.00 C ATOM 413 CG PHE A 31 -0.763 6.076 -1.863 1.00 0.00 C ATOM 414 CD1 PHE A 31 -1.773 6.684 -2.591 1.00 0.00 C ATOM 415 CD2 PHE A 31 -0.848 4.716 -1.613 1.00 0.00 C ATOM 416 CE1 PHE A 31 -2.847 5.950 -3.058 1.00 0.00 C ATOM 417 CE2 PHE A 31 -1.919 3.976 -2.079 1.00 0.00 C ATOM 418 CZ PHE A 31 -2.919 4.594 -2.803 1.00 0.00 C ATOM 0 H PHE A 31 -0.622 9.305 -0.668 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.190 6.715 0.703 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.623 7.673 -2.066 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.283 6.234 -1.314 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.720 7.743 -2.796 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.068 4.228 -1.047 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -3.629 6.436 -3.622 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.973 2.916 -1.877 1.00 0.00 H new ATOM 0 HZ PHE A 31 -3.756 4.018 -3.169 1.00 0.00 H new ATOM 428 N ILE A 32 1.958 7.459 1.660 1.00 0.00 N ATOM 429 CA ILE A 32 3.199 7.900 2.283 1.00 0.00 C ATOM 430 C ILE A 32 4.391 7.110 1.753 1.00 0.00 C ATOM 431 O ILE A 32 4.443 5.886 1.879 1.00 0.00 O ATOM 432 CB ILE A 32 3.142 7.756 3.815 1.00 0.00 C ATOM 433 CG1 ILE A 32 2.398 8.942 4.433 1.00 0.00 C ATOM 434 CG2 ILE A 32 4.547 7.648 4.390 1.00 0.00 C ATOM 435 CD1 ILE A 32 3.291 10.124 4.737 1.00 0.00 C ATOM 0 H ILE A 32 1.509 6.671 2.126 1.00 0.00 H new ATOM 0 HA ILE A 32 3.322 8.953 2.030 1.00 0.00 H new ATOM 0 HB ILE A 32 2.599 6.843 4.059 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.608 9.259 3.752 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.914 8.617 5.354 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.490 7.547 5.474 1.00 0.00 H new ATOM 0 HG22 ILE A 32 5.046 6.775 3.970 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.113 8.545 4.139 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.696 10.927 5.173 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.066 9.823 5.442 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.755 10.476 3.816 1.00 0.00 H new ATOM 447 N ASP A 33 5.348 7.817 1.163 1.00 0.00 N ATOM 448 CA ASP A 33 6.542 7.183 0.617 1.00 0.00 C ATOM 449 C ASP A 33 7.751 7.439 1.511 1.00 0.00 C ATOM 450 O ASP A 33 8.348 8.515 1.471 1.00 0.00 O ATOM 451 CB ASP A 33 6.818 7.699 -0.796 1.00 0.00 C ATOM 452 CG ASP A 33 8.126 7.176 -1.358 1.00 0.00 C ATOM 453 OD1 ASP A 33 9.142 7.216 -0.633 1.00 0.00 O ATOM 454 OD2 ASP A 33 8.132 6.726 -2.523 1.00 0.00 O ATOM 0 H ASP A 33 5.320 8.830 1.050 1.00 0.00 H new ATOM 0 HA ASP A 33 6.366 6.108 0.575 1.00 0.00 H new ATOM 0 HB2 ASP A 33 6.000 7.405 -1.453 1.00 0.00 H new ATOM 0 HB3 ASP A 33 6.841 8.789 -0.784 1.00 0.00 H new ATOM 459 N HIS A 34 8.106 6.444 2.318 1.00 0.00 N ATOM 460 CA HIS A 34 9.243 6.562 3.222 1.00 0.00 C ATOM 461 C HIS A 34 10.559 6.505 2.452 1.00 0.00 C ATOM 462 O HIS A 34 11.453 7.321 2.669 1.00 0.00 O ATOM 463 CB HIS A 34 9.205 5.451 4.272 1.00 0.00 C ATOM 464 CG HIS A 34 8.007 5.516 5.169 1.00 0.00 C ATOM 465 ND1 HIS A 34 8.075 5.913 6.488 1.00 0.00 N ATOM 466 CD2 HIS A 34 6.705 5.234 4.930 1.00 0.00 C ATOM 467 CE1 HIS A 34 6.868 5.870 7.022 1.00 0.00 C ATOM 468 NE2 HIS A 34 6.018 5.461 6.097 1.00 0.00 N ATOM 0 H HIS A 34 7.622 5.547 2.364 1.00 0.00 H new ATOM 0 HA HIS A 34 9.177 7.528 3.723 1.00 0.00 H new ATOM 0 HB2 HIS A 34 9.219 4.485 3.768 1.00 0.00 H new ATOM 0 HB3 HIS A 34 10.108 5.506 4.880 1.00 0.00 H new ATOM 0 HD2 HIS A 34 6.285 4.894 3.995 1.00 0.00 H new ATOM 0 HE1 HIS A 34 6.618 6.126 8.041 1.00 0.00 H new ATOM 0 HE2 HIS A 34 5.014 5.334 6.228 1.00 0.00 H new ATOM 476 N ASN A 35 10.669 5.533 1.551 1.00 0.00 N ATOM 477 CA ASN A 35 11.876 5.368 0.749 1.00 0.00 C ATOM 478 C ASN A 35 12.459 6.723 0.359 1.00 0.00 C ATOM 479 O ASN A 35 13.673 6.870 0.210 1.00 0.00 O ATOM 480 CB ASN A 35 11.571 4.551 -0.507 1.00 0.00 C ATOM 481 CG ASN A 35 10.324 5.035 -1.223 1.00 0.00 C ATOM 482 OD1 ASN A 35 10.406 5.776 -2.202 1.00 0.00 O ATOM 483 ND2 ASN A 35 9.162 4.616 -0.736 1.00 0.00 N ATOM 0 H ASN A 35 9.938 4.849 1.358 1.00 0.00 H new ATOM 0 HA ASN A 35 12.612 4.835 1.351 1.00 0.00 H new ATOM 0 HB2 ASN A 35 12.421 4.604 -1.187 1.00 0.00 H new ATOM 0 HB3 ASN A 35 11.446 3.503 -0.234 1.00 0.00 H new ATOM 0 HD21 ASN A 35 8.289 4.908 -1.176 1.00 0.00 H new ATOM 0 HD22 ASN A 35 9.142 4.002 0.078 1.00 0.00 H new ATOM 490 N THR A 36 11.586 7.712 0.194 1.00 0.00 N ATOM 491 CA THR A 36 12.013 9.054 -0.180 1.00 0.00 C ATOM 492 C THR A 36 11.388 10.104 0.733 1.00 0.00 C ATOM 493 O THR A 36 11.695 11.292 0.631 1.00 0.00 O ATOM 494 CB THR A 36 11.644 9.375 -1.640 1.00 0.00 C ATOM 495 OG1 THR A 36 10.232 9.234 -1.831 1.00 0.00 O ATOM 496 CG2 THR A 36 12.385 8.457 -2.600 1.00 0.00 C ATOM 0 H THR A 36 10.578 7.608 0.314 1.00 0.00 H new ATOM 0 HA THR A 36 13.097 9.082 -0.073 1.00 0.00 H new ATOM 0 HB THR A 36 11.937 10.404 -1.848 1.00 0.00 H new ATOM 0 HG1 THR A 36 9.853 8.711 -1.094 1.00 0.00 H new ATOM 0 HG21 THR A 36 12.108 8.703 -3.625 1.00 0.00 H new ATOM 0 HG22 THR A 36 13.460 8.589 -2.473 1.00 0.00 H new ATOM 0 HG23 THR A 36 12.119 7.421 -2.391 1.00 0.00 H new ATOM 504 N LYS A 37 10.510 9.658 1.625 1.00 0.00 N ATOM 505 CA LYS A 37 9.843 10.558 2.557 1.00 0.00 C ATOM 506 C LYS A 37 9.004 11.591 1.811 1.00 0.00 C ATOM 507 O LYS A 37 9.065 12.785 2.105 1.00 0.00 O ATOM 508 CB LYS A 37 10.873 11.265 3.442 1.00 0.00 C ATOM 509 CG LYS A 37 11.492 10.361 4.494 1.00 0.00 C ATOM 510 CD LYS A 37 10.585 10.209 5.703 1.00 0.00 C ATOM 511 CE LYS A 37 10.610 11.451 6.580 1.00 0.00 C ATOM 512 NZ LYS A 37 9.405 11.541 7.450 1.00 0.00 N ATOM 0 H LYS A 37 10.244 8.678 1.722 1.00 0.00 H new ATOM 0 HA LYS A 37 9.180 9.963 3.185 1.00 0.00 H new ATOM 0 HB2 LYS A 37 11.665 11.670 2.812 1.00 0.00 H new ATOM 0 HB3 LYS A 37 10.395 12.111 3.937 1.00 0.00 H new ATOM 0 HG2 LYS A 37 11.690 9.380 4.061 1.00 0.00 H new ATOM 0 HG3 LYS A 37 12.452 10.771 4.808 1.00 0.00 H new ATOM 0 HD2 LYS A 37 9.565 10.017 5.371 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.898 9.344 6.287 1.00 0.00 H new ATOM 0 HE2 LYS A 37 11.506 11.439 7.201 1.00 0.00 H new ATOM 0 HE3 LYS A 37 10.670 12.339 5.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 9.460 12.401 8.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 8.551 11.578 6.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.361 10.707 8.069 1.00 0.00 H new ATOM 526 N THR A 38 8.220 11.124 0.845 1.00 0.00 N ATOM 527 CA THR A 38 7.369 12.006 0.058 1.00 0.00 C ATOM 528 C THR A 38 5.914 11.554 0.105 1.00 0.00 C ATOM 529 O THR A 38 5.624 10.380 0.340 1.00 0.00 O ATOM 530 CB THR A 38 7.828 12.066 -1.412 1.00 0.00 C ATOM 531 OG1 THR A 38 9.240 11.843 -1.493 1.00 0.00 O ATOM 532 CG2 THR A 38 7.485 13.412 -2.032 1.00 0.00 C ATOM 0 H THR A 38 8.157 10.139 0.589 1.00 0.00 H new ATOM 0 HA THR A 38 7.452 13.000 0.498 1.00 0.00 H new ATOM 0 HB THR A 38 7.305 11.286 -1.965 1.00 0.00 H new ATOM 0 HG1 THR A 38 9.415 10.884 -1.592 1.00 0.00 H new ATOM 0 HG21 THR A 38 7.819 13.430 -3.069 1.00 0.00 H new ATOM 0 HG22 THR A 38 6.406 13.565 -1.995 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.984 14.206 -1.476 1.00 0.00 H new ATOM 540 N THR A 39 4.999 12.493 -0.119 1.00 0.00 N ATOM 541 CA THR A 39 3.573 12.191 -0.101 1.00 0.00 C ATOM 542 C THR A 39 2.932 12.484 -1.452 1.00 0.00 C ATOM 543 O THR A 39 3.172 13.533 -2.049 1.00 0.00 O ATOM 544 CB THR A 39 2.842 12.998 0.988 1.00 0.00 C ATOM 545 OG1 THR A 39 3.276 14.362 0.961 1.00 0.00 O ATOM 546 CG2 THR A 39 3.099 12.406 2.366 1.00 0.00 C ATOM 0 H THR A 39 5.221 13.469 -0.315 1.00 0.00 H new ATOM 0 HA THR A 39 3.478 11.128 0.120 1.00 0.00 H new ATOM 0 HB THR A 39 1.772 12.953 0.785 1.00 0.00 H new ATOM 0 HG1 THR A 39 2.805 14.869 1.655 1.00 0.00 H new ATOM 0 HG21 THR A 39 2.572 12.993 3.118 1.00 0.00 H new ATOM 0 HG22 THR A 39 2.741 11.377 2.393 1.00 0.00 H new ATOM 0 HG23 THR A 39 4.168 12.423 2.576 1.00 0.00 H new ATOM 554 N SER A 40 2.115 11.551 -1.929 1.00 0.00 N ATOM 555 CA SER A 40 1.441 11.708 -3.213 1.00 0.00 C ATOM 556 C SER A 40 -0.062 11.486 -3.068 1.00 0.00 C ATOM 557 O SER A 40 -0.527 10.949 -2.063 1.00 0.00 O ATOM 558 CB SER A 40 2.016 10.730 -4.239 1.00 0.00 C ATOM 559 OG SER A 40 1.809 11.197 -5.560 1.00 0.00 O ATOM 0 H SER A 40 1.903 10.678 -1.446 1.00 0.00 H new ATOM 0 HA SER A 40 1.609 12.727 -3.561 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.083 10.596 -4.060 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.547 9.753 -4.118 1.00 0.00 H new ATOM 0 HG SER A 40 2.187 10.555 -6.197 1.00 0.00 H new ATOM 565 N TRP A 41 -0.815 11.903 -4.079 1.00 0.00 N ATOM 566 CA TRP A 41 -2.265 11.750 -4.066 1.00 0.00 C ATOM 567 C TRP A 41 -2.683 10.459 -4.761 1.00 0.00 C ATOM 568 O TRP A 41 -3.691 9.848 -4.404 1.00 0.00 O ATOM 569 CB TRP A 41 -2.931 12.948 -4.745 1.00 0.00 C ATOM 570 CG TRP A 41 -3.019 14.157 -3.865 1.00 0.00 C ATOM 571 CD1 TRP A 41 -2.554 15.410 -4.145 1.00 0.00 C ATOM 572 CD2 TRP A 41 -3.605 14.227 -2.560 1.00 0.00 C ATOM 573 NE1 TRP A 41 -2.816 16.255 -3.093 1.00 0.00 N ATOM 574 CE2 TRP A 41 -3.461 15.554 -2.109 1.00 0.00 C ATOM 575 CE3 TRP A 41 -4.240 13.299 -1.731 1.00 0.00 C ATOM 576 CZ2 TRP A 41 -3.927 15.972 -0.866 1.00 0.00 C ATOM 577 CZ3 TRP A 41 -4.702 13.715 -0.496 1.00 0.00 C ATOM 578 CH2 TRP A 41 -4.544 15.042 -0.074 1.00 0.00 C ATOM 0 H TRP A 41 -0.446 12.350 -4.918 1.00 0.00 H new ATOM 0 HA TRP A 41 -2.591 11.703 -3.027 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -2.372 13.203 -5.645 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -3.935 12.665 -5.062 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -2.054 15.695 -5.059 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -2.570 17.244 -3.052 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -4.368 12.275 -2.049 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -3.806 16.994 -0.538 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -5.193 13.006 0.154 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -4.917 15.337 0.896 1.00 0.00 H new ATOM 589 N LEU A 42 -1.903 10.048 -5.754 1.00 0.00 N ATOM 590 CA LEU A 42 -2.192 8.827 -6.500 1.00 0.00 C ATOM 591 C LEU A 42 -1.456 7.634 -5.898 1.00 0.00 C ATOM 592 O LEU A 42 -0.647 7.789 -4.982 1.00 0.00 O ATOM 593 CB LEU A 42 -1.797 8.997 -7.968 1.00 0.00 C ATOM 594 CG LEU A 42 -2.656 9.960 -8.787 1.00 0.00 C ATOM 595 CD1 LEU A 42 -1.929 10.377 -10.056 1.00 0.00 C ATOM 596 CD2 LEU A 42 -3.997 9.325 -9.122 1.00 0.00 C ATOM 0 H LEU A 42 -1.065 10.542 -6.062 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.264 8.638 -6.438 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.763 9.340 -8.008 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.827 8.018 -8.447 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.839 10.852 -8.188 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.556 11.062 -10.626 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.995 10.873 -9.794 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.715 9.495 -10.659 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.595 10.025 -9.705 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.835 8.416 -9.701 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.523 9.078 -8.200 1.00 0.00 H new ATOM 608 N ASP A 43 -1.740 6.446 -6.419 1.00 0.00 N ATOM 609 CA ASP A 43 -1.103 5.227 -5.936 1.00 0.00 C ATOM 610 C ASP A 43 0.174 4.934 -6.718 1.00 0.00 C ATOM 611 O ASP A 43 0.259 5.164 -7.925 1.00 0.00 O ATOM 612 CB ASP A 43 -2.066 4.044 -6.047 1.00 0.00 C ATOM 613 CG ASP A 43 -1.345 2.730 -6.275 1.00 0.00 C ATOM 614 OD1 ASP A 43 -1.101 2.382 -7.449 1.00 0.00 O ATOM 615 OD2 ASP A 43 -1.024 2.050 -5.278 1.00 0.00 O ATOM 0 H ASP A 43 -2.408 6.301 -7.176 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.840 5.375 -4.888 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -2.660 3.976 -5.135 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -2.761 4.221 -6.868 1.00 0.00 H new ATOM 620 N PRO A 44 1.193 4.416 -6.016 1.00 0.00 N ATOM 621 CA PRO A 44 2.484 4.081 -6.624 1.00 0.00 C ATOM 622 C PRO A 44 2.390 2.882 -7.560 1.00 0.00 C ATOM 623 O PRO A 44 2.897 2.917 -8.682 1.00 0.00 O ATOM 624 CB PRO A 44 3.369 3.752 -5.419 1.00 0.00 C ATOM 625 CG PRO A 44 2.417 3.317 -4.358 1.00 0.00 C ATOM 626 CD PRO A 44 1.162 4.116 -4.574 1.00 0.00 C ATOM 0 HA PRO A 44 2.867 4.893 -7.242 1.00 0.00 H new ATOM 0 HB2 PRO A 44 4.084 2.965 -5.656 1.00 0.00 H new ATOM 0 HB3 PRO A 44 3.945 4.621 -5.102 1.00 0.00 H new ATOM 0 HG2 PRO A 44 2.216 2.248 -4.429 1.00 0.00 H new ATOM 0 HG3 PRO A 44 2.829 3.499 -3.365 1.00 0.00 H new ATOM 0 HD2 PRO A 44 0.272 3.549 -4.301 1.00 0.00 H new ATOM 0 HD3 PRO A 44 1.157 5.026 -3.974 1.00 0.00 H new ATOM 634 N ARG A 45 1.739 1.822 -7.093 1.00 0.00 N ATOM 635 CA ARG A 45 1.580 0.611 -7.889 1.00 0.00 C ATOM 636 C ARG A 45 1.239 0.952 -9.336 1.00 0.00 C ATOM 637 O ARG A 45 1.653 0.255 -10.263 1.00 0.00 O ATOM 638 CB ARG A 45 0.486 -0.277 -7.292 1.00 0.00 C ATOM 639 CG ARG A 45 0.912 -0.998 -6.023 1.00 0.00 C ATOM 640 CD ARG A 45 -0.234 -1.802 -5.429 1.00 0.00 C ATOM 641 NE ARG A 45 -1.343 -0.949 -5.012 1.00 0.00 N ATOM 642 CZ ARG A 45 -2.587 -1.387 -4.849 1.00 0.00 C ATOM 643 NH1 ARG A 45 -2.877 -2.662 -5.067 1.00 0.00 N ATOM 644 NH2 ARG A 45 -3.542 -0.549 -4.467 1.00 0.00 N ATOM 0 H ARG A 45 1.313 1.777 -6.167 1.00 0.00 H new ATOM 0 HA ARG A 45 2.526 0.070 -7.875 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -0.389 0.335 -7.076 1.00 0.00 H new ATOM 0 HB3 ARG A 45 0.183 -1.015 -8.035 1.00 0.00 H new ATOM 0 HG2 ARG A 45 1.748 -1.662 -6.243 1.00 0.00 H new ATOM 0 HG3 ARG A 45 1.266 -0.272 -5.292 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -0.589 -2.524 -6.164 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.128 -2.370 -4.572 1.00 0.00 H new ATOM 0 HE ARG A 45 -1.152 0.037 -4.836 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -2.145 -3.309 -5.360 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -3.832 -2.996 -4.941 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -3.322 0.433 -4.298 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -4.497 -0.886 -4.342 1.00 0.00 H new ATOM 658 N CYS A 46 0.483 2.028 -9.522 1.00 0.00 N ATOM 659 CA CYS A 46 0.085 2.462 -10.857 1.00 0.00 C ATOM 660 C CYS A 46 1.215 2.244 -11.859 1.00 0.00 C ATOM 661 O CYS A 46 1.017 1.636 -12.911 1.00 0.00 O ATOM 662 CB CYS A 46 -0.318 3.937 -10.837 1.00 0.00 C ATOM 663 SG CYS A 46 -0.619 4.642 -12.475 1.00 0.00 S ATOM 0 H CYS A 46 0.133 2.616 -8.766 1.00 0.00 H new ATOM 0 HA CYS A 46 -0.771 1.863 -11.167 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -1.219 4.048 -10.234 1.00 0.00 H new ATOM 0 HB3 CYS A 46 0.467 4.511 -10.345 1.00 0.00 H new ATOM 0 HG CYS A 46 -0.956 5.892 -12.354 1.00 0.00 H new ATOM 669 N LEU A 47 2.399 2.747 -11.525 1.00 0.00 N ATOM 670 CA LEU A 47 3.561 2.609 -12.396 1.00 0.00 C ATOM 671 C LEU A 47 4.344 1.343 -12.063 1.00 0.00 C ATOM 672 O LEU A 47 4.661 0.547 -12.945 1.00 0.00 O ATOM 673 CB LEU A 47 4.468 3.833 -12.267 1.00 0.00 C ATOM 674 CG LEU A 47 4.486 4.513 -10.897 1.00 0.00 C ATOM 675 CD1 LEU A 47 5.841 5.153 -10.636 1.00 0.00 C ATOM 676 CD2 LEU A 47 3.377 5.551 -10.802 1.00 0.00 C ATOM 0 H LEU A 47 2.579 3.254 -10.658 1.00 0.00 H new ATOM 0 HA LEU A 47 3.207 2.534 -13.424 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.486 3.534 -12.515 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.161 4.568 -13.011 1.00 0.00 H new ATOM 0 HG LEU A 47 4.313 3.754 -10.134 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.835 5.632 -9.657 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.616 4.387 -10.660 1.00 0.00 H new ATOM 0 HD13 LEU A 47 6.045 5.900 -11.404 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.405 6.025 -9.821 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.519 6.307 -11.574 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.411 5.066 -10.943 1.00 0.00 H new ATOM 688 N ASN A 48 4.652 1.164 -10.782 1.00 0.00 N ATOM 689 CA ASN A 48 5.397 -0.006 -10.331 1.00 0.00 C ATOM 690 C ASN A 48 6.481 -0.381 -11.337 1.00 0.00 C ATOM 691 O ASN A 48 6.614 -1.544 -11.718 1.00 0.00 O ATOM 692 CB ASN A 48 4.450 -1.189 -10.120 1.00 0.00 C ATOM 693 CG ASN A 48 4.106 -1.893 -11.418 1.00 0.00 C ATOM 694 OD1 ASN A 48 4.637 -2.963 -11.716 1.00 0.00 O ATOM 695 ND2 ASN A 48 3.214 -1.295 -12.198 1.00 0.00 N ATOM 0 H ASN A 48 4.397 1.814 -10.038 1.00 0.00 H new ATOM 0 HA ASN A 48 5.875 0.241 -9.383 1.00 0.00 H new ATOM 0 HB2 ASN A 48 4.910 -1.901 -9.435 1.00 0.00 H new ATOM 0 HB3 ASN A 48 3.533 -0.837 -9.647 1.00 0.00 H new ATOM 0 HD21 ASN A 48 2.944 -1.722 -13.084 1.00 0.00 H new ATOM 0 HD22 ASN A 48 2.799 -0.408 -11.911 1.00 0.00 H new ATOM 702 N LYS A 49 7.254 0.612 -11.763 1.00 0.00 N ATOM 703 CA LYS A 49 8.329 0.388 -12.723 1.00 0.00 C ATOM 704 C LYS A 49 9.022 -0.946 -12.462 1.00 0.00 C ATOM 705 O LYS A 49 9.328 -1.282 -11.319 1.00 0.00 O ATOM 706 CB LYS A 49 9.348 1.527 -12.654 1.00 0.00 C ATOM 707 CG LYS A 49 9.019 2.694 -13.568 1.00 0.00 C ATOM 708 CD LYS A 49 8.153 3.726 -12.865 1.00 0.00 C ATOM 709 CE LYS A 49 8.998 4.779 -12.164 1.00 0.00 C ATOM 710 NZ LYS A 49 9.296 5.934 -13.055 1.00 0.00 N ATOM 0 H LYS A 49 7.156 1.581 -11.458 1.00 0.00 H new ATOM 0 HA LYS A 49 7.892 0.361 -13.721 1.00 0.00 H new ATOM 0 HB2 LYS A 49 9.409 1.887 -11.627 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.333 1.139 -12.915 1.00 0.00 H new ATOM 0 HG2 LYS A 49 9.943 3.163 -13.907 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.503 2.328 -14.455 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.498 4.208 -13.591 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.512 3.229 -12.137 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.475 5.132 -11.275 1.00 0.00 H new ATOM 0 HE3 LYS A 49 9.932 4.330 -11.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.873 6.629 -12.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 9.817 5.602 -13.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.406 6.379 -13.356 1.00 0.00 H new ATOM 724 N GLN A 50 9.267 -1.699 -13.530 1.00 0.00 N ATOM 725 CA GLN A 50 9.925 -2.995 -13.415 1.00 0.00 C ATOM 726 C GLN A 50 11.412 -2.881 -13.734 1.00 0.00 C ATOM 727 O GLN A 50 11.979 -3.741 -14.407 1.00 0.00 O ATOM 728 CB GLN A 50 9.267 -4.010 -14.351 1.00 0.00 C ATOM 729 CG GLN A 50 9.347 -3.624 -15.819 1.00 0.00 C ATOM 730 CD GLN A 50 8.409 -4.438 -16.689 1.00 0.00 C ATOM 731 OE1 GLN A 50 8.844 -5.296 -17.458 1.00 0.00 O ATOM 732 NE2 GLN A 50 7.113 -4.174 -16.571 1.00 0.00 N ATOM 0 H GLN A 50 9.020 -1.434 -14.483 1.00 0.00 H new ATOM 0 HA GLN A 50 9.818 -3.338 -12.386 1.00 0.00 H new ATOM 0 HB2 GLN A 50 9.743 -4.981 -14.213 1.00 0.00 H new ATOM 0 HB3 GLN A 50 8.220 -4.125 -14.071 1.00 0.00 H new ATOM 0 HG2 GLN A 50 9.109 -2.566 -15.926 1.00 0.00 H new ATOM 0 HG3 GLN A 50 10.370 -3.758 -16.171 1.00 0.00 H new ATOM 0 HE21 GLN A 50 6.796 -3.454 -15.921 1.00 0.00 H new ATOM 0 HE22 GLN A 50 6.434 -4.691 -17.130 1.00 0.00 H new ATOM 741 N GLN A 51 12.037 -1.813 -13.247 1.00 0.00 N ATOM 742 CA GLN A 51 13.458 -1.587 -13.482 1.00 0.00 C ATOM 743 C GLN A 51 14.307 -2.493 -12.596 1.00 0.00 C ATOM 744 O GLN A 51 15.239 -3.144 -13.070 1.00 0.00 O ATOM 745 CB GLN A 51 13.812 -0.122 -13.222 1.00 0.00 C ATOM 746 CG GLN A 51 15.195 0.267 -13.718 1.00 0.00 C ATOM 747 CD GLN A 51 16.297 -0.154 -12.766 1.00 0.00 C ATOM 748 OE1 GLN A 51 16.447 0.412 -11.683 1.00 0.00 O ATOM 749 NE2 GLN A 51 17.076 -1.153 -13.166 1.00 0.00 N ATOM 0 H GLN A 51 11.582 -1.092 -12.688 1.00 0.00 H new ATOM 0 HA GLN A 51 13.671 -1.826 -14.524 1.00 0.00 H new ATOM 0 HB2 GLN A 51 13.070 0.514 -13.705 1.00 0.00 H new ATOM 0 HB3 GLN A 51 13.751 0.073 -12.151 1.00 0.00 H new ATOM 0 HG2 GLN A 51 15.369 -0.189 -14.693 1.00 0.00 H new ATOM 0 HG3 GLN A 51 15.235 1.347 -13.859 1.00 0.00 H new ATOM 0 HE21 GLN A 51 16.916 -1.593 -14.072 1.00 0.00 H new ATOM 0 HE22 GLN A 51 17.834 -1.480 -12.567 1.00 0.00 H new ATOM 758 N SER A 52 13.979 -2.530 -11.309 1.00 0.00 N ATOM 759 CA SER A 52 14.715 -3.353 -10.356 1.00 0.00 C ATOM 760 C SER A 52 14.041 -4.711 -10.178 1.00 0.00 C ATOM 761 O SER A 52 13.082 -4.846 -9.420 1.00 0.00 O ATOM 762 CB SER A 52 14.816 -2.641 -9.006 1.00 0.00 C ATOM 763 OG SER A 52 15.374 -1.346 -9.154 1.00 0.00 O ATOM 0 H SER A 52 13.209 -2.000 -10.902 1.00 0.00 H new ATOM 0 HA SER A 52 15.719 -3.513 -10.750 1.00 0.00 H new ATOM 0 HB2 SER A 52 13.826 -2.565 -8.556 1.00 0.00 H new ATOM 0 HB3 SER A 52 15.431 -3.230 -8.325 1.00 0.00 H new ATOM 0 HG SER A 52 15.427 -0.910 -8.278 1.00 0.00 H new ATOM 769 N GLY A 53 14.553 -5.715 -10.883 1.00 0.00 N ATOM 770 CA GLY A 53 13.990 -7.050 -10.790 1.00 0.00 C ATOM 771 C GLY A 53 14.694 -7.905 -9.755 1.00 0.00 C ATOM 772 O GLY A 53 15.564 -7.438 -9.020 1.00 0.00 O ATOM 0 H GLY A 53 15.347 -5.628 -11.517 1.00 0.00 H new ATOM 0 HA2 GLY A 53 12.932 -6.978 -10.539 1.00 0.00 H new ATOM 0 HA3 GLY A 53 14.054 -7.537 -11.763 1.00 0.00 H new ATOM 776 N PRO A 54 14.315 -9.190 -9.687 1.00 0.00 N ATOM 777 CA PRO A 54 14.903 -10.139 -8.737 1.00 0.00 C ATOM 778 C PRO A 54 16.348 -10.482 -9.080 1.00 0.00 C ATOM 779 O PRO A 54 17.044 -11.133 -8.300 1.00 0.00 O ATOM 780 CB PRO A 54 14.012 -11.377 -8.875 1.00 0.00 C ATOM 781 CG PRO A 54 13.444 -11.283 -10.249 1.00 0.00 C ATOM 782 CD PRO A 54 13.283 -9.815 -10.532 1.00 0.00 C ATOM 0 HA PRO A 54 14.940 -9.734 -7.726 1.00 0.00 H new ATOM 0 HB2 PRO A 54 14.586 -12.294 -8.746 1.00 0.00 H new ATOM 0 HB3 PRO A 54 13.225 -11.385 -8.121 1.00 0.00 H new ATOM 0 HG2 PRO A 54 14.106 -11.750 -10.978 1.00 0.00 H new ATOM 0 HG3 PRO A 54 12.486 -11.800 -10.311 1.00 0.00 H new ATOM 0 HD2 PRO A 54 13.437 -9.590 -11.587 1.00 0.00 H new ATOM 0 HD3 PRO A 54 12.284 -9.463 -10.273 1.00 0.00 H new ATOM 790 N SER A 55 16.795 -10.040 -10.251 1.00 0.00 N ATOM 791 CA SER A 55 18.158 -10.303 -10.698 1.00 0.00 C ATOM 792 C SER A 55 19.173 -9.736 -9.710 1.00 0.00 C ATOM 793 O SER A 55 19.536 -8.562 -9.782 1.00 0.00 O ATOM 794 CB SER A 55 18.387 -9.700 -12.085 1.00 0.00 C ATOM 795 OG SER A 55 17.654 -10.403 -13.074 1.00 0.00 O ATOM 0 H SER A 55 16.233 -9.498 -10.908 1.00 0.00 H new ATOM 0 HA SER A 55 18.295 -11.383 -10.752 1.00 0.00 H new ATOM 0 HB2 SER A 55 18.088 -8.652 -12.083 1.00 0.00 H new ATOM 0 HB3 SER A 55 19.450 -9.728 -12.326 1.00 0.00 H new ATOM 0 HG SER A 55 17.816 -9.997 -13.951 1.00 0.00 H new ATOM 801 N SER A 56 19.627 -10.578 -8.788 1.00 0.00 N ATOM 802 CA SER A 56 20.597 -10.161 -7.783 1.00 0.00 C ATOM 803 C SER A 56 21.873 -10.991 -7.883 1.00 0.00 C ATOM 804 O SER A 56 22.979 -10.452 -7.885 1.00 0.00 O ATOM 805 CB SER A 56 19.999 -10.292 -6.381 1.00 0.00 C ATOM 806 OG SER A 56 18.909 -9.403 -6.207 1.00 0.00 O ATOM 0 H SER A 56 19.338 -11.554 -8.716 1.00 0.00 H new ATOM 0 HA SER A 56 20.848 -9.116 -7.967 1.00 0.00 H new ATOM 0 HB2 SER A 56 19.666 -11.317 -6.218 1.00 0.00 H new ATOM 0 HB3 SER A 56 20.765 -10.084 -5.634 1.00 0.00 H new ATOM 0 HG SER A 56 18.139 -9.725 -6.721 1.00 0.00 H new ATOM 812 N GLY A 57 21.711 -12.308 -7.965 1.00 0.00 N ATOM 813 CA GLY A 57 22.857 -13.192 -8.064 1.00 0.00 C ATOM 814 C GLY A 57 23.741 -13.136 -6.833 1.00 0.00 C ATOM 815 O GLY A 57 23.357 -12.567 -5.812 1.00 0.00 O ATOM 0 H GLY A 57 20.806 -12.778 -7.965 1.00 0.00 H new ATOM 0 HA2 GLY A 57 22.511 -14.215 -8.213 1.00 0.00 H new ATOM 0 HA3 GLY A 57 23.444 -12.923 -8.942 1.00 0.00 H new TER 819 GLY A 57