USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 751 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 79 ASN : amide:sc= -0.2 X(o=-1.5,f=-1.7) USER MOD Set 1.2: A 82 THR OG1 : rot -130:sc= -1.32 USER MOD Single : A 1 GLY N :NH3+ -144:sc= 0.0354 (180deg=0) USER MOD Single : A 2 SER OG : rot 30:sc= 0.727 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 8 ASN : amide:sc=-0.00556 X(o=-0.0056,f=-0.066) USER MOD Single : A 9 GLN : amide:sc= -0.417 K(o=-0.42,f=-3.2!) USER MOD Single : A 10 ASN : amide:sc= 0.755 K(o=0.75,f=-2.6!) USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 14 HIS : no HD1:sc= -0.159 X(o=-0.16,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.776 K(o=-0.78,f=-1.4!) USER MOD Single : A 19 GLN : amide:sc= -0.223 K(o=-0.22,f=-1.8!) USER MOD Single : A 21 THR OG1 : rot 15:sc= -0.442! USER MOD Single : A 24 GLN : amide:sc= -1.27 X(o=-1.3,f=-0.96) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot -88:sc= 0.551 USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 ASN : amide:sc= -0.527 K(o=-0.53,f=-4.5!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -0.0231 X(o=-0.023,f=0) USER MOD Single : A 50 THR OG1 : rot -80:sc= 1.04! USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 54 GLN : amide:sc= -4.32! C(o=-4.3!,f=-5.2!) USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HD1:sc= -1.51 K(o=-1.5,f=-0.32) USER MOD Single : A 64 CYS SG : rot -50:sc= -4.57! USER MOD Single : A 65 ASN : amide:sc= -2.59! C(o=-2.6!,f=-3!) USER MOD Single : A 69 ASN : amide:sc= -0.314 X(o=-0.31,f=-0.16) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ -150:sc= 0.0306 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -0.0235 X(o=-0.023,f=-0.14) USER MOD Single : A 98 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.00637) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 47:sc= 0.0976 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.233 36.926 -1.215 1.00 0.00 N ATOM 2 CA GLY A 1 14.227 36.595 -2.210 1.00 0.00 C ATOM 3 C GLY A 1 14.025 35.081 -2.301 1.00 0.00 C ATOM 4 O GLY A 1 14.155 34.372 -1.304 1.00 0.00 O ATOM 0 H1 GLY A 1 14.966 37.807 -0.731 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.301 36.155 -0.520 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.154 37.053 -1.681 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.284 37.077 -1.953 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.529 36.984 -3.182 1.00 0.00 H new ATOM 8 N SER A 2 13.710 34.630 -3.507 1.00 0.00 N ATOM 9 CA SER A 2 13.489 33.213 -3.741 1.00 0.00 C ATOM 10 C SER A 2 14.770 32.563 -4.267 1.00 0.00 C ATOM 11 O SER A 2 15.149 32.772 -5.418 1.00 0.00 O ATOM 12 CB SER A 2 12.339 32.991 -4.726 1.00 0.00 C ATOM 13 OG SER A 2 12.616 33.553 -6.006 1.00 0.00 O ATOM 0 H SER A 2 13.603 35.221 -4.332 1.00 0.00 H new ATOM 0 HA SER A 2 13.216 32.748 -2.793 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.154 31.922 -4.832 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.428 33.434 -4.325 1.00 0.00 H new ATOM 0 HG SER A 2 13.582 33.534 -6.169 1.00 0.00 H new ATOM 19 N SER A 3 15.402 31.789 -3.398 1.00 0.00 N ATOM 20 CA SER A 3 16.633 31.107 -3.760 1.00 0.00 C ATOM 21 C SER A 3 16.391 30.192 -4.961 1.00 0.00 C ATOM 22 O SER A 3 17.035 30.338 -5.998 1.00 0.00 O ATOM 23 CB SER A 3 17.184 30.302 -2.581 1.00 0.00 C ATOM 24 OG SER A 3 17.953 31.110 -1.695 1.00 0.00 O ATOM 0 H SER A 3 15.085 31.619 -2.444 1.00 0.00 H new ATOM 0 HA SER A 3 17.374 31.859 -4.029 1.00 0.00 H new ATOM 0 HB2 SER A 3 16.357 29.849 -2.033 1.00 0.00 H new ATOM 0 HB3 SER A 3 17.802 29.486 -2.956 1.00 0.00 H new ATOM 0 HG SER A 3 18.285 30.560 -0.955 1.00 0.00 H new ATOM 30 N GLY A 4 15.459 29.267 -4.781 1.00 0.00 N ATOM 31 CA GLY A 4 15.123 28.327 -5.838 1.00 0.00 C ATOM 32 C GLY A 4 13.617 28.317 -6.104 1.00 0.00 C ATOM 33 O GLY A 4 12.818 28.357 -5.169 1.00 0.00 O ATOM 0 H GLY A 4 14.926 29.148 -3.919 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.655 28.595 -6.751 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.453 27.327 -5.558 1.00 0.00 H new ATOM 37 N SER A 5 13.274 28.262 -7.382 1.00 0.00 N ATOM 38 CA SER A 5 11.878 28.246 -7.783 1.00 0.00 C ATOM 39 C SER A 5 11.086 27.295 -6.883 1.00 0.00 C ATOM 40 O SER A 5 11.654 26.379 -6.291 1.00 0.00 O ATOM 41 CB SER A 5 11.730 27.836 -9.250 1.00 0.00 C ATOM 42 OG SER A 5 10.687 28.554 -9.903 1.00 0.00 O ATOM 0 H SER A 5 13.940 28.228 -8.154 1.00 0.00 H new ATOM 0 HA SER A 5 11.480 29.255 -7.675 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.671 28.010 -9.772 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.526 26.767 -9.309 1.00 0.00 H new ATOM 0 HG SER A 5 10.626 28.265 -10.837 1.00 0.00 H new ATOM 48 N SER A 6 9.787 27.544 -6.810 1.00 0.00 N ATOM 49 CA SER A 6 8.912 26.721 -5.993 1.00 0.00 C ATOM 50 C SER A 6 7.556 26.555 -6.682 1.00 0.00 C ATOM 51 O SER A 6 7.159 27.393 -7.490 1.00 0.00 O ATOM 52 CB SER A 6 8.728 27.327 -4.600 1.00 0.00 C ATOM 53 OG SER A 6 9.380 26.557 -3.593 1.00 0.00 O ATOM 0 H SER A 6 9.319 28.304 -7.303 1.00 0.00 H new ATOM 0 HA SER A 6 9.376 25.741 -5.876 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.122 28.343 -4.592 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.664 27.396 -4.372 1.00 0.00 H new ATOM 0 HG SER A 6 9.241 26.977 -2.719 1.00 0.00 H new ATOM 59 N GLY A 7 6.882 25.467 -6.338 1.00 0.00 N ATOM 60 CA GLY A 7 5.579 25.180 -6.913 1.00 0.00 C ATOM 61 C GLY A 7 5.713 24.693 -8.357 1.00 0.00 C ATOM 62 O GLY A 7 6.330 25.360 -9.186 1.00 0.00 O ATOM 0 H GLY A 7 7.214 24.773 -5.668 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.073 24.422 -6.315 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.959 26.076 -6.884 1.00 0.00 H new ATOM 66 N ASN A 8 5.124 23.534 -8.614 1.00 0.00 N ATOM 67 CA ASN A 8 5.170 22.950 -9.944 1.00 0.00 C ATOM 68 C ASN A 8 3.982 22.002 -10.121 1.00 0.00 C ATOM 69 O ASN A 8 3.316 21.648 -9.149 1.00 0.00 O ATOM 70 CB ASN A 8 6.453 22.143 -10.147 1.00 0.00 C ATOM 71 CG ASN A 8 7.558 23.012 -10.750 1.00 0.00 C ATOM 72 OD1 ASN A 8 8.397 23.565 -10.057 1.00 0.00 O ATOM 73 ND2 ASN A 8 7.512 23.103 -12.076 1.00 0.00 N ATOM 0 H ASN A 8 4.613 22.984 -7.924 1.00 0.00 H new ATOM 0 HA ASN A 8 5.136 23.762 -10.670 1.00 0.00 H new ATOM 0 HB2 ASN A 8 6.786 21.736 -9.192 1.00 0.00 H new ATOM 0 HB3 ASN A 8 6.254 21.295 -10.803 1.00 0.00 H new ATOM 0 HD21 ASN A 8 8.206 23.661 -12.573 1.00 0.00 H new ATOM 0 HD22 ASN A 8 6.783 22.615 -12.596 1.00 0.00 H new ATOM 80 N GLN A 9 3.753 21.618 -11.368 1.00 0.00 N ATOM 81 CA GLN A 9 2.657 20.718 -11.685 1.00 0.00 C ATOM 82 C GLN A 9 3.199 19.370 -12.163 1.00 0.00 C ATOM 83 O GLN A 9 3.538 19.214 -13.335 1.00 0.00 O ATOM 84 CB GLN A 9 1.725 21.336 -12.729 1.00 0.00 C ATOM 85 CG GLN A 9 0.496 21.961 -12.065 1.00 0.00 C ATOM 86 CD GLN A 9 -0.793 21.324 -12.587 1.00 0.00 C ATOM 87 OE1 GLN A 9 -0.788 20.493 -13.480 1.00 0.00 O ATOM 88 NE2 GLN A 9 -1.895 21.757 -11.981 1.00 0.00 N ATOM 0 H GLN A 9 4.308 21.914 -12.171 1.00 0.00 H new ATOM 0 HA GLN A 9 2.074 20.552 -10.779 1.00 0.00 H new ATOM 0 HB2 GLN A 9 2.262 22.096 -13.297 1.00 0.00 H new ATOM 0 HB3 GLN A 9 1.410 20.571 -13.439 1.00 0.00 H new ATOM 0 HG2 GLN A 9 0.557 21.833 -10.984 1.00 0.00 H new ATOM 0 HG3 GLN A 9 0.480 23.034 -12.258 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -1.829 22.455 -11.240 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -2.806 21.391 -12.257 1.00 0.00 H new ATOM 97 N ASN A 10 3.264 18.430 -11.232 1.00 0.00 N ATOM 98 CA ASN A 10 3.759 17.100 -11.543 1.00 0.00 C ATOM 99 C ASN A 10 5.176 17.208 -12.109 1.00 0.00 C ATOM 100 O ASN A 10 5.600 18.283 -12.531 1.00 0.00 O ATOM 101 CB ASN A 10 2.881 16.418 -12.595 1.00 0.00 C ATOM 102 CG ASN A 10 1.891 15.453 -11.940 1.00 0.00 C ATOM 103 OD1 ASN A 10 1.866 15.272 -10.733 1.00 0.00 O ATOM 104 ND2 ASN A 10 1.080 14.844 -12.799 1.00 0.00 N ATOM 0 H ASN A 10 2.982 18.563 -10.261 1.00 0.00 H new ATOM 0 HA ASN A 10 3.746 16.512 -10.625 1.00 0.00 H new ATOM 0 HB2 ASN A 10 2.337 17.172 -13.164 1.00 0.00 H new ATOM 0 HB3 ASN A 10 3.509 15.876 -13.302 1.00 0.00 H new ATOM 0 HD21 ASN A 10 0.384 14.180 -12.460 1.00 0.00 H new ATOM 0 HD22 ASN A 10 1.154 15.041 -13.797 1.00 0.00 H new ATOM 111 N GLN A 11 5.870 16.079 -12.100 1.00 0.00 N ATOM 112 CA GLN A 11 7.231 16.033 -12.607 1.00 0.00 C ATOM 113 C GLN A 11 7.307 16.692 -13.986 1.00 0.00 C ATOM 114 O GLN A 11 8.051 17.652 -14.179 1.00 0.00 O ATOM 115 CB GLN A 11 7.749 14.594 -12.658 1.00 0.00 C ATOM 116 CG GLN A 11 9.278 14.563 -12.708 1.00 0.00 C ATOM 117 CD GLN A 11 9.788 13.154 -13.015 1.00 0.00 C ATOM 118 OE1 GLN A 11 9.031 12.206 -13.145 1.00 0.00 O ATOM 119 NE2 GLN A 11 11.111 13.069 -13.124 1.00 0.00 N ATOM 0 H GLN A 11 5.515 15.189 -11.750 1.00 0.00 H new ATOM 0 HA GLN A 11 7.871 16.591 -11.924 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.399 14.047 -11.783 1.00 0.00 H new ATOM 0 HB3 GLN A 11 7.343 14.088 -13.534 1.00 0.00 H new ATOM 0 HG2 GLN A 11 9.635 15.257 -13.469 1.00 0.00 H new ATOM 0 HG3 GLN A 11 9.684 14.901 -11.754 1.00 0.00 H new ATOM 0 HE21 GLN A 11 11.687 13.902 -13.004 1.00 0.00 H new ATOM 0 HE22 GLN A 11 11.549 12.171 -13.328 1.00 0.00 H new ATOM 128 N THR A 12 6.526 16.150 -14.909 1.00 0.00 N ATOM 129 CA THR A 12 6.495 16.673 -16.264 1.00 0.00 C ATOM 130 C THR A 12 5.080 17.129 -16.628 1.00 0.00 C ATOM 131 O THR A 12 4.857 18.303 -16.917 1.00 0.00 O ATOM 132 CB THR A 12 7.045 15.595 -17.200 1.00 0.00 C ATOM 133 OG1 THR A 12 8.437 15.549 -16.896 1.00 0.00 O ATOM 134 CG2 THR A 12 6.999 16.017 -18.670 1.00 0.00 C ATOM 0 H THR A 12 5.910 15.354 -14.745 1.00 0.00 H new ATOM 0 HA THR A 12 7.123 17.559 -16.360 1.00 0.00 H new ATOM 0 HB THR A 12 6.476 14.675 -17.068 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.872 14.874 -17.457 1.00 0.00 H new ATOM 0 HG21 THR A 12 7.401 15.216 -19.291 1.00 0.00 H new ATOM 0 HG22 THR A 12 5.967 16.218 -18.959 1.00 0.00 H new ATOM 0 HG23 THR A 12 7.596 16.918 -18.809 1.00 0.00 H new ATOM 142 N GLN A 13 4.160 16.175 -16.601 1.00 0.00 N ATOM 143 CA GLN A 13 2.773 16.464 -16.924 1.00 0.00 C ATOM 144 C GLN A 13 1.848 15.459 -16.235 1.00 0.00 C ATOM 145 O GLN A 13 0.989 15.842 -15.442 1.00 0.00 O ATOM 146 CB GLN A 13 2.552 16.465 -18.437 1.00 0.00 C ATOM 147 CG GLN A 13 2.156 17.857 -18.933 1.00 0.00 C ATOM 148 CD GLN A 13 1.395 17.773 -20.257 1.00 0.00 C ATOM 149 OE1 GLN A 13 1.528 16.830 -21.020 1.00 0.00 O ATOM 150 NE2 GLN A 13 0.591 18.807 -20.486 1.00 0.00 N ATOM 0 H GLN A 13 4.348 15.202 -16.361 1.00 0.00 H new ATOM 0 HA GLN A 13 2.534 17.461 -16.555 1.00 0.00 H new ATOM 0 HB2 GLN A 13 3.462 16.141 -18.941 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.772 15.748 -18.695 1.00 0.00 H new ATOM 0 HG2 GLN A 13 1.536 18.351 -18.184 1.00 0.00 H new ATOM 0 HG3 GLN A 13 3.049 18.469 -19.061 1.00 0.00 H new ATOM 0 HE21 GLN A 13 0.527 19.564 -19.805 1.00 0.00 H new ATOM 0 HE22 GLN A 13 0.039 18.844 -21.343 1.00 0.00 H new ATOM 159 N HIS A 14 2.054 14.191 -16.562 1.00 0.00 N ATOM 160 CA HIS A 14 1.249 13.129 -15.985 1.00 0.00 C ATOM 161 C HIS A 14 2.041 12.428 -14.879 1.00 0.00 C ATOM 162 O HIS A 14 3.247 12.631 -14.750 1.00 0.00 O ATOM 163 CB HIS A 14 0.765 12.164 -17.069 1.00 0.00 C ATOM 164 CG HIS A 14 -0.603 12.492 -17.617 1.00 0.00 C ATOM 165 ND1 HIS A 14 -0.872 12.557 -18.973 1.00 0.00 N ATOM 166 CD2 HIS A 14 -1.775 12.772 -16.978 1.00 0.00 C ATOM 167 CE1 HIS A 14 -2.151 12.864 -19.132 1.00 0.00 C ATOM 168 NE2 HIS A 14 -2.709 12.998 -17.894 1.00 0.00 N ATOM 0 H HIS A 14 2.767 13.876 -17.220 1.00 0.00 H new ATOM 0 HA HIS A 14 0.353 13.553 -15.531 1.00 0.00 H new ATOM 0 HB2 HIS A 14 1.483 12.165 -17.889 1.00 0.00 H new ATOM 0 HB3 HIS A 14 0.749 11.154 -16.661 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -1.919 12.804 -15.908 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -2.662 12.987 -20.076 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -3.683 13.233 -17.704 1.00 0.00 H new ATOM 176 N LYS A 15 1.330 11.618 -14.108 1.00 0.00 N ATOM 177 CA LYS A 15 1.951 10.887 -13.017 1.00 0.00 C ATOM 178 C LYS A 15 2.349 9.493 -13.506 1.00 0.00 C ATOM 179 O LYS A 15 1.512 8.743 -14.006 1.00 0.00 O ATOM 180 CB LYS A 15 1.033 10.870 -11.793 1.00 0.00 C ATOM 181 CG LYS A 15 1.791 10.409 -10.546 1.00 0.00 C ATOM 182 CD LYS A 15 1.128 10.940 -9.274 1.00 0.00 C ATOM 183 CE LYS A 15 2.141 11.050 -8.133 1.00 0.00 C ATOM 184 NZ LYS A 15 1.487 11.556 -6.905 1.00 0.00 N ATOM 0 H LYS A 15 0.330 11.452 -14.218 1.00 0.00 H new ATOM 0 HA LYS A 15 2.865 11.386 -12.695 1.00 0.00 H new ATOM 0 HB2 LYS A 15 0.624 11.867 -11.627 1.00 0.00 H new ATOM 0 HB3 LYS A 15 0.189 10.205 -11.976 1.00 0.00 H new ATOM 0 HG2 LYS A 15 1.822 9.320 -10.517 1.00 0.00 H new ATOM 0 HG3 LYS A 15 2.823 10.756 -10.594 1.00 0.00 H new ATOM 0 HD2 LYS A 15 0.688 11.918 -9.470 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.314 10.277 -8.980 1.00 0.00 H new ATOM 0 HE2 LYS A 15 2.586 10.074 -7.939 1.00 0.00 H new ATOM 0 HE3 LYS A 15 2.952 11.719 -8.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 2.189 11.624 -6.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 1.083 12.496 -7.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 0.729 10.903 -6.621 1.00 0.00 H new ATOM 198 N GLN A 16 3.628 9.187 -13.343 1.00 0.00 N ATOM 199 CA GLN A 16 4.148 7.896 -13.761 1.00 0.00 C ATOM 200 C GLN A 16 3.547 6.780 -12.905 1.00 0.00 C ATOM 201 O GLN A 16 2.940 5.848 -13.431 1.00 0.00 O ATOM 202 CB GLN A 16 5.677 7.874 -13.697 1.00 0.00 C ATOM 203 CG GLN A 16 6.250 6.822 -14.648 1.00 0.00 C ATOM 204 CD GLN A 16 5.787 7.071 -16.085 1.00 0.00 C ATOM 205 OE1 GLN A 16 4.779 6.554 -16.538 1.00 0.00 O ATOM 206 NE2 GLN A 16 6.576 7.890 -16.774 1.00 0.00 N ATOM 0 H GLN A 16 4.320 9.811 -12.927 1.00 0.00 H new ATOM 0 HA GLN A 16 3.858 7.728 -14.798 1.00 0.00 H new ATOM 0 HB2 GLN A 16 6.070 8.857 -13.957 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.999 7.662 -12.677 1.00 0.00 H new ATOM 0 HG2 GLN A 16 7.339 6.842 -14.604 1.00 0.00 H new ATOM 0 HG3 GLN A 16 5.936 5.828 -14.328 1.00 0.00 H new ATOM 0 HE21 GLN A 16 7.405 8.289 -16.334 1.00 0.00 H new ATOM 0 HE22 GLN A 16 6.352 8.119 -17.742 1.00 0.00 H new ATOM 215 N ARG A 17 3.739 6.910 -11.600 1.00 0.00 N ATOM 216 CA ARG A 17 3.223 5.923 -10.667 1.00 0.00 C ATOM 217 C ARG A 17 1.798 5.521 -11.052 1.00 0.00 C ATOM 218 O ARG A 17 0.871 6.321 -10.935 1.00 0.00 O ATOM 219 CB ARG A 17 3.224 6.466 -9.236 1.00 0.00 C ATOM 220 CG ARG A 17 4.623 6.391 -8.622 1.00 0.00 C ATOM 221 CD ARG A 17 4.602 5.619 -7.301 1.00 0.00 C ATOM 222 NE ARG A 17 4.280 6.536 -6.184 1.00 0.00 N ATOM 223 CZ ARG A 17 4.221 6.162 -4.899 1.00 0.00 C ATOM 224 NH1 ARG A 17 4.462 4.888 -4.560 1.00 0.00 N ATOM 225 NH2 ARG A 17 3.921 7.062 -3.953 1.00 0.00 N ATOM 0 H ARG A 17 4.244 7.683 -11.167 1.00 0.00 H new ATOM 0 HA ARG A 17 3.874 5.050 -10.714 1.00 0.00 H new ATOM 0 HB2 ARG A 17 2.878 7.499 -9.235 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.524 5.895 -8.626 1.00 0.00 H new ATOM 0 HG2 ARG A 17 5.305 5.905 -9.320 1.00 0.00 H new ATOM 0 HG3 ARG A 17 5.004 7.398 -8.453 1.00 0.00 H new ATOM 0 HD2 ARG A 17 3.864 4.819 -7.350 1.00 0.00 H new ATOM 0 HD3 ARG A 17 5.571 5.149 -7.129 1.00 0.00 H new ATOM 0 HE ARG A 17 4.091 7.513 -6.407 1.00 0.00 H new ATOM 0 HH11 ARG A 17 4.690 4.203 -5.280 1.00 0.00 H new ATOM 0 HH12 ARG A 17 4.417 4.603 -3.582 1.00 0.00 H new ATOM 0 HH21 ARG A 17 3.738 8.032 -4.211 1.00 0.00 H new ATOM 0 HH22 ARG A 17 3.876 6.778 -2.974 1.00 0.00 H new ATOM 239 N PRO A 18 1.664 4.249 -11.514 1.00 0.00 N ATOM 240 CA PRO A 18 0.368 3.732 -11.917 1.00 0.00 C ATOM 241 C PRO A 18 -0.500 3.416 -10.697 1.00 0.00 C ATOM 242 O PRO A 18 -0.050 3.548 -9.559 1.00 0.00 O ATOM 243 CB PRO A 18 0.678 2.505 -12.758 1.00 0.00 C ATOM 244 CG PRO A 18 2.105 2.113 -12.413 1.00 0.00 C ATOM 245 CD PRO A 18 2.740 3.274 -11.665 1.00 0.00 C ATOM 0 HA PRO A 18 -0.213 4.455 -12.490 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -0.015 1.693 -12.535 1.00 0.00 H new ATOM 0 HB3 PRO A 18 0.580 2.725 -13.821 1.00 0.00 H new ATOM 0 HG2 PRO A 18 2.116 1.212 -11.799 1.00 0.00 H new ATOM 0 HG3 PRO A 18 2.669 1.888 -13.319 1.00 0.00 H new ATOM 0 HD2 PRO A 18 3.126 2.957 -10.696 1.00 0.00 H new ATOM 0 HD3 PRO A 18 3.579 3.692 -12.221 1.00 0.00 H new ATOM 253 N GLN A 19 -1.729 3.007 -10.974 1.00 0.00 N ATOM 254 CA GLN A 19 -2.664 2.671 -9.913 1.00 0.00 C ATOM 255 C GLN A 19 -2.865 3.871 -8.985 1.00 0.00 C ATOM 256 O GLN A 19 -1.970 4.224 -8.219 1.00 0.00 O ATOM 257 CB GLN A 19 -2.188 1.446 -9.131 1.00 0.00 C ATOM 258 CG GLN A 19 -3.034 0.217 -9.471 1.00 0.00 C ATOM 259 CD GLN A 19 -2.197 -1.062 -9.396 1.00 0.00 C ATOM 260 OE1 GLN A 19 -0.997 -1.064 -9.618 1.00 0.00 O ATOM 261 NE2 GLN A 19 -2.895 -2.147 -9.072 1.00 0.00 N ATOM 0 H GLN A 19 -2.100 2.900 -11.918 1.00 0.00 H new ATOM 0 HA GLN A 19 -3.624 2.421 -10.365 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -1.141 1.247 -9.362 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -2.246 1.648 -8.061 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -3.874 0.147 -8.780 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -3.452 0.324 -10.472 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -3.898 -2.076 -8.899 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -2.428 -3.050 -8.997 1.00 0.00 H new ATOM 270 N ALA A 20 -4.046 4.463 -9.084 1.00 0.00 N ATOM 271 CA ALA A 20 -4.376 5.616 -8.262 1.00 0.00 C ATOM 272 C ALA A 20 -5.783 6.101 -8.614 1.00 0.00 C ATOM 273 O ALA A 20 -6.541 5.393 -9.275 1.00 0.00 O ATOM 274 CB ALA A 20 -3.318 6.703 -8.459 1.00 0.00 C ATOM 0 H ALA A 20 -4.786 4.167 -9.720 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.374 5.348 -7.206 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.565 7.567 -7.843 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.341 6.317 -8.167 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.292 7.000 -9.507 1.00 0.00 H new ATOM 280 N THR A 21 -6.090 7.306 -8.157 1.00 0.00 N ATOM 281 CA THR A 21 -7.394 7.895 -8.416 1.00 0.00 C ATOM 282 C THR A 21 -8.494 6.844 -8.256 1.00 0.00 C ATOM 283 O THR A 21 -8.472 6.055 -7.313 1.00 0.00 O ATOM 284 CB THR A 21 -7.357 8.531 -9.807 1.00 0.00 C ATOM 285 OG1 THR A 21 -7.133 7.432 -10.685 1.00 0.00 O ATOM 286 CG2 THR A 21 -6.133 9.426 -10.010 1.00 0.00 C ATOM 0 H THR A 21 -5.459 7.891 -7.609 1.00 0.00 H new ATOM 0 HA THR A 21 -7.627 8.676 -7.692 1.00 0.00 H new ATOM 0 HB THR A 21 -8.263 9.116 -9.962 1.00 0.00 H new ATOM 0 HG1 THR A 21 -7.297 6.593 -10.207 1.00 0.00 H new ATOM 0 HG21 THR A 21 -6.156 9.852 -11.013 1.00 0.00 H new ATOM 0 HG22 THR A 21 -6.144 10.230 -9.274 1.00 0.00 H new ATOM 0 HG23 THR A 21 -5.226 8.835 -9.888 1.00 0.00 H new ATOM 294 N ALA A 22 -9.431 6.868 -9.193 1.00 0.00 N ATOM 295 CA ALA A 22 -10.538 5.928 -9.169 1.00 0.00 C ATOM 296 C ALA A 22 -10.021 4.549 -8.752 1.00 0.00 C ATOM 297 O ALA A 22 -10.687 3.832 -8.007 1.00 0.00 O ATOM 298 CB ALA A 22 -11.220 5.906 -10.538 1.00 0.00 C ATOM 0 H ALA A 22 -9.446 7.524 -9.974 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.286 6.235 -8.438 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.051 5.200 -10.519 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.595 6.902 -10.774 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -10.501 5.600 -11.298 1.00 0.00 H new ATOM 304 N GLU A 23 -8.840 4.219 -9.252 1.00 0.00 N ATOM 305 CA GLU A 23 -8.226 2.940 -8.942 1.00 0.00 C ATOM 306 C GLU A 23 -8.032 2.797 -7.431 1.00 0.00 C ATOM 307 O GLU A 23 -8.410 1.784 -6.846 1.00 0.00 O ATOM 308 CB GLU A 23 -6.898 2.774 -9.684 1.00 0.00 C ATOM 309 CG GLU A 23 -6.802 1.392 -10.333 1.00 0.00 C ATOM 310 CD GLU A 23 -6.517 1.509 -11.832 1.00 0.00 C ATOM 311 OE1 GLU A 23 -7.059 2.456 -12.440 1.00 0.00 O ATOM 312 OE2 GLU A 23 -5.762 0.649 -12.335 1.00 0.00 O ATOM 0 H GLU A 23 -8.291 4.816 -9.871 1.00 0.00 H new ATOM 0 HA GLU A 23 -8.894 2.147 -9.280 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.805 3.546 -10.448 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -6.069 2.912 -8.989 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.012 0.815 -9.853 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.734 0.848 -10.178 1.00 0.00 H new ATOM 319 N GLN A 24 -7.442 3.827 -6.843 1.00 0.00 N ATOM 320 CA GLN A 24 -7.192 3.829 -5.411 1.00 0.00 C ATOM 321 C GLN A 24 -8.496 3.599 -4.645 1.00 0.00 C ATOM 322 O GLN A 24 -8.603 2.655 -3.864 1.00 0.00 O ATOM 323 CB GLN A 24 -6.522 5.133 -4.973 1.00 0.00 C ATOM 324 CG GLN A 24 -5.746 4.940 -3.669 1.00 0.00 C ATOM 325 CD GLN A 24 -6.550 5.451 -2.472 1.00 0.00 C ATOM 326 OE1 GLN A 24 -6.349 6.549 -1.979 1.00 0.00 O ATOM 327 NE2 GLN A 24 -7.469 4.595 -2.032 1.00 0.00 N ATOM 0 H GLN A 24 -7.130 4.666 -7.332 1.00 0.00 H new ATOM 0 HA GLN A 24 -6.508 3.012 -5.180 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -5.846 5.479 -5.755 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.278 5.907 -4.839 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -5.515 3.884 -3.532 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -4.795 5.470 -3.726 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -7.585 3.691 -2.491 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -8.057 4.842 -1.236 1.00 0.00 H new ATOM 336 N ILE A 25 -9.456 4.478 -4.895 1.00 0.00 N ATOM 337 CA ILE A 25 -10.748 4.382 -4.239 1.00 0.00 C ATOM 338 C ILE A 25 -11.222 2.927 -4.265 1.00 0.00 C ATOM 339 O ILE A 25 -11.698 2.407 -3.257 1.00 0.00 O ATOM 340 CB ILE A 25 -11.741 5.363 -4.864 1.00 0.00 C ATOM 341 CG1 ILE A 25 -11.467 6.794 -4.396 1.00 0.00 C ATOM 342 CG2 ILE A 25 -13.184 4.936 -4.586 1.00 0.00 C ATOM 343 CD1 ILE A 25 -11.378 7.753 -5.585 1.00 0.00 C ATOM 0 H ILE A 25 -9.364 5.260 -5.543 1.00 0.00 H new ATOM 0 HA ILE A 25 -10.665 4.672 -3.192 1.00 0.00 H new ATOM 0 HB ILE A 25 -11.603 5.345 -5.945 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -12.260 7.118 -3.722 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -10.536 6.823 -3.830 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -13.869 5.651 -5.042 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -13.358 3.946 -5.008 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -13.354 4.906 -3.510 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -11.183 8.763 -5.224 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -10.568 7.441 -6.245 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -12.319 7.740 -6.134 1.00 0.00 H new ATOM 355 N ARG A 26 -11.076 2.312 -5.429 1.00 0.00 N ATOM 356 CA ARG A 26 -11.483 0.927 -5.599 1.00 0.00 C ATOM 357 C ARG A 26 -10.514 -0.005 -4.869 1.00 0.00 C ATOM 358 O ARG A 26 -10.939 -0.942 -4.195 1.00 0.00 O ATOM 359 CB ARG A 26 -11.528 0.545 -7.080 1.00 0.00 C ATOM 360 CG ARG A 26 -12.862 0.950 -7.711 1.00 0.00 C ATOM 361 CD ARG A 26 -13.670 -0.281 -8.123 1.00 0.00 C ATOM 362 NE ARG A 26 -14.438 0.006 -9.355 1.00 0.00 N ATOM 363 CZ ARG A 26 -15.012 -0.933 -10.119 1.00 0.00 C ATOM 364 NH1 ARG A 26 -14.908 -2.226 -9.782 1.00 0.00 N ATOM 365 NH2 ARG A 26 -15.689 -0.580 -11.220 1.00 0.00 N ATOM 0 H ARG A 26 -10.682 2.747 -6.263 1.00 0.00 H new ATOM 0 HA ARG A 26 -12.482 0.821 -5.177 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -10.709 1.031 -7.610 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -11.383 -0.530 -7.186 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -13.437 1.546 -7.003 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -12.680 1.578 -8.583 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -13.002 -1.126 -8.290 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -14.349 -0.566 -7.319 1.00 0.00 H new ATOM 0 HE ARG A 26 -14.537 0.980 -9.641 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -14.392 -2.495 -8.944 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -15.345 -2.941 -10.363 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -15.768 0.404 -11.477 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -16.126 -1.295 -11.801 1.00 0.00 H new ATOM 379 N LEU A 27 -9.231 0.285 -5.026 1.00 0.00 N ATOM 380 CA LEU A 27 -8.199 -0.515 -4.390 1.00 0.00 C ATOM 381 C LEU A 27 -8.504 -0.638 -2.895 1.00 0.00 C ATOM 382 O LEU A 27 -8.659 -1.743 -2.378 1.00 0.00 O ATOM 383 CB LEU A 27 -6.814 0.061 -4.689 1.00 0.00 C ATOM 384 CG LEU A 27 -6.229 -0.279 -6.062 1.00 0.00 C ATOM 385 CD1 LEU A 27 -4.758 0.133 -6.149 1.00 0.00 C ATOM 386 CD2 LEU A 27 -6.430 -1.759 -6.393 1.00 0.00 C ATOM 0 H LEU A 27 -8.883 1.064 -5.585 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.194 -1.525 -4.799 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.866 1.146 -4.596 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.123 -0.292 -3.924 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.769 0.295 -6.815 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.367 -0.120 -7.135 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.671 1.208 -5.989 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.187 -0.395 -5.386 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.005 -1.973 -7.374 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.933 -2.371 -5.640 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.496 -1.989 -6.401 1.00 0.00 H new ATOM 398 N ALA A 28 -8.581 0.513 -2.243 1.00 0.00 N ATOM 399 CA ALA A 28 -8.865 0.549 -0.819 1.00 0.00 C ATOM 400 C ALA A 28 -10.158 -0.221 -0.541 1.00 0.00 C ATOM 401 O ALA A 28 -10.315 -0.814 0.525 1.00 0.00 O ATOM 402 CB ALA A 28 -8.939 2.003 -0.349 1.00 0.00 C ATOM 0 H ALA A 28 -8.452 1.428 -2.675 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.066 0.065 -0.256 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -9.152 2.030 0.720 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -7.986 2.496 -0.541 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.731 2.520 -0.890 1.00 0.00 H new ATOM 408 N GLN A 29 -11.051 -0.186 -1.519 1.00 0.00 N ATOM 409 CA GLN A 29 -12.325 -0.873 -1.394 1.00 0.00 C ATOM 410 C GLN A 29 -12.137 -2.379 -1.584 1.00 0.00 C ATOM 411 O GLN A 29 -12.847 -3.178 -0.975 1.00 0.00 O ATOM 412 CB GLN A 29 -13.347 -0.318 -2.388 1.00 0.00 C ATOM 413 CG GLN A 29 -14.520 -1.284 -2.566 1.00 0.00 C ATOM 414 CD GLN A 29 -15.848 -0.528 -2.639 1.00 0.00 C ATOM 415 OE1 GLN A 29 -16.204 0.057 -3.648 1.00 0.00 O ATOM 416 NE2 GLN A 29 -16.558 -0.572 -1.515 1.00 0.00 N ATOM 0 H GLN A 29 -10.917 0.308 -2.402 1.00 0.00 H new ATOM 0 HA GLN A 29 -12.712 -0.699 -0.390 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -13.715 0.646 -2.036 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -12.866 -0.143 -3.350 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -14.380 -1.868 -3.476 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -14.544 -1.989 -1.735 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.201 -1.080 -0.706 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -17.459 -0.097 -1.462 1.00 0.00 H new ATOM 425 N MET A 30 -11.178 -2.722 -2.431 1.00 0.00 N ATOM 426 CA MET A 30 -10.888 -4.118 -2.709 1.00 0.00 C ATOM 427 C MET A 30 -9.989 -4.717 -1.625 1.00 0.00 C ATOM 428 O MET A 30 -10.184 -5.860 -1.214 1.00 0.00 O ATOM 429 CB MET A 30 -10.197 -4.235 -4.069 1.00 0.00 C ATOM 430 CG MET A 30 -9.877 -5.695 -4.397 1.00 0.00 C ATOM 431 SD MET A 30 -9.941 -5.952 -6.162 1.00 0.00 S ATOM 432 CE MET A 30 -8.196 -6.067 -6.522 1.00 0.00 C ATOM 0 H MET A 30 -10.591 -2.056 -2.934 1.00 0.00 H new ATOM 0 HA MET A 30 -11.828 -4.670 -2.721 1.00 0.00 H new ATOM 0 HB2 MET A 30 -10.839 -3.816 -4.844 1.00 0.00 H new ATOM 0 HB3 MET A 30 -9.278 -3.649 -4.066 1.00 0.00 H new ATOM 0 HG2 MET A 30 -8.888 -5.953 -4.019 1.00 0.00 H new ATOM 0 HG3 MET A 30 -10.590 -6.353 -3.899 1.00 0.00 H new ATOM 0 HE1 MET A 30 -8.055 -6.229 -7.591 1.00 0.00 H new ATOM 0 HE2 MET A 30 -7.702 -5.141 -6.227 1.00 0.00 H new ATOM 0 HE3 MET A 30 -7.764 -6.901 -5.969 1.00 0.00 H new ATOM 442 N ILE A 31 -9.024 -3.919 -1.194 1.00 0.00 N ATOM 443 CA ILE A 31 -8.094 -4.356 -0.167 1.00 0.00 C ATOM 444 C ILE A 31 -8.868 -4.670 1.115 1.00 0.00 C ATOM 445 O ILE A 31 -8.833 -5.797 1.606 1.00 0.00 O ATOM 446 CB ILE A 31 -6.982 -3.323 0.024 1.00 0.00 C ATOM 447 CG1 ILE A 31 -5.935 -3.433 -1.086 1.00 0.00 C ATOM 448 CG2 ILE A 31 -6.356 -3.441 1.415 1.00 0.00 C ATOM 449 CD1 ILE A 31 -5.685 -2.073 -1.741 1.00 0.00 C ATOM 0 H ILE A 31 -8.866 -2.972 -1.537 1.00 0.00 H new ATOM 0 HA ILE A 31 -7.594 -5.275 -0.472 1.00 0.00 H new ATOM 0 HB ILE A 31 -7.424 -2.329 -0.047 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -5.003 -3.819 -0.674 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -6.271 -4.147 -1.838 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.569 -2.695 1.524 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.121 -3.275 2.174 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -5.932 -4.437 1.540 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -4.937 -2.179 -2.526 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -6.614 -1.701 -2.173 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -5.326 -1.368 -0.991 1.00 0.00 H new ATOM 461 N SER A 32 -9.549 -3.652 1.622 1.00 0.00 N ATOM 462 CA SER A 32 -10.330 -3.805 2.837 1.00 0.00 C ATOM 463 C SER A 32 -11.049 -5.156 2.831 1.00 0.00 C ATOM 464 O SER A 32 -10.887 -5.953 3.753 1.00 0.00 O ATOM 465 CB SER A 32 -11.341 -2.667 2.989 1.00 0.00 C ATOM 466 OG SER A 32 -12.188 -2.549 1.849 1.00 0.00 O ATOM 0 H SER A 32 -9.576 -2.718 1.213 1.00 0.00 H new ATOM 0 HA SER A 32 -9.649 -3.767 3.688 1.00 0.00 H new ATOM 0 HB2 SER A 32 -11.950 -2.839 3.877 1.00 0.00 H new ATOM 0 HB3 SER A 32 -10.809 -1.728 3.144 1.00 0.00 H new ATOM 0 HG SER A 32 -11.764 -1.966 1.185 1.00 0.00 H new ATOM 472 N ASP A 33 -11.827 -5.371 1.780 1.00 0.00 N ATOM 473 CA ASP A 33 -12.571 -6.611 1.641 1.00 0.00 C ATOM 474 C ASP A 33 -11.665 -7.788 2.007 1.00 0.00 C ATOM 475 O ASP A 33 -12.057 -8.663 2.777 1.00 0.00 O ATOM 476 CB ASP A 33 -13.046 -6.810 0.201 1.00 0.00 C ATOM 477 CG ASP A 33 -14.546 -7.068 0.044 1.00 0.00 C ATOM 478 OD1 ASP A 33 -15.318 -6.134 0.353 1.00 0.00 O ATOM 479 OD2 ASP A 33 -14.888 -8.193 -0.380 1.00 0.00 O ATOM 0 H ASP A 33 -11.958 -4.707 1.017 1.00 0.00 H new ATOM 0 HA ASP A 33 -13.436 -6.561 2.302 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -12.782 -5.925 -0.378 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -12.501 -7.649 -0.233 1.00 0.00 H new ATOM 484 N HIS A 34 -10.469 -7.772 1.437 1.00 0.00 N ATOM 485 CA HIS A 34 -9.503 -8.827 1.693 1.00 0.00 C ATOM 486 C HIS A 34 -8.419 -8.311 2.641 1.00 0.00 C ATOM 487 O HIS A 34 -7.319 -7.972 2.206 1.00 0.00 O ATOM 488 CB HIS A 34 -8.934 -9.373 0.382 1.00 0.00 C ATOM 489 CG HIS A 34 -9.911 -10.207 -0.411 1.00 0.00 C ATOM 490 ND1 HIS A 34 -10.271 -11.492 -0.044 1.00 0.00 N ATOM 491 CD2 HIS A 34 -10.599 -9.927 -1.555 1.00 0.00 C ATOM 492 CE1 HIS A 34 -11.137 -11.954 -0.934 1.00 0.00 C ATOM 493 NE2 HIS A 34 -11.338 -10.983 -1.870 1.00 0.00 N ATOM 0 H HIS A 34 -10.147 -7.045 0.798 1.00 0.00 H new ATOM 0 HA HIS A 34 -9.997 -9.666 2.184 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -8.602 -8.537 -0.234 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -8.053 -9.976 0.603 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -10.550 -9.002 -2.111 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -11.602 -12.929 -0.920 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -11.955 -11.056 -2.679 1.00 0.00 H new ATOM 501 N ASN A 35 -8.766 -8.269 3.919 1.00 0.00 N ATOM 502 CA ASN A 35 -7.836 -7.800 4.932 1.00 0.00 C ATOM 503 C ASN A 35 -7.472 -8.960 5.861 1.00 0.00 C ATOM 504 O ASN A 35 -8.103 -10.015 5.818 1.00 0.00 O ATOM 505 CB ASN A 35 -8.460 -6.692 5.782 1.00 0.00 C ATOM 506 CG ASN A 35 -7.803 -5.341 5.490 1.00 0.00 C ATOM 507 OD1 ASN A 35 -6.954 -5.209 4.624 1.00 0.00 O ATOM 508 ND2 ASN A 35 -8.242 -4.349 6.259 1.00 0.00 N ATOM 0 H ASN A 35 -9.679 -8.552 4.276 1.00 0.00 H new ATOM 0 HA ASN A 35 -6.953 -7.411 4.424 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.529 -6.632 5.579 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -8.349 -6.933 6.839 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -7.866 -3.408 6.142 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -8.955 -4.529 6.966 1.00 0.00 H new ATOM 515 N ASP A 36 -6.456 -8.726 6.678 1.00 0.00 N ATOM 516 CA ASP A 36 -6.001 -9.739 7.616 1.00 0.00 C ATOM 517 C ASP A 36 -5.843 -9.110 9.002 1.00 0.00 C ATOM 518 O ASP A 36 -5.739 -7.891 9.126 1.00 0.00 O ATOM 519 CB ASP A 36 -4.644 -10.307 7.197 1.00 0.00 C ATOM 520 CG ASP A 36 -4.181 -11.529 7.993 1.00 0.00 C ATOM 521 OD1 ASP A 36 -4.540 -12.650 7.572 1.00 0.00 O ATOM 522 OD2 ASP A 36 -3.479 -11.315 9.004 1.00 0.00 O ATOM 0 H ASP A 36 -5.935 -7.850 6.710 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.739 -10.541 7.631 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.690 -10.576 6.142 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.893 -9.523 7.294 1.00 0.00 H new ATOM 527 N ALA A 37 -5.831 -9.971 10.009 1.00 0.00 N ATOM 528 CA ALA A 37 -5.688 -9.516 11.381 1.00 0.00 C ATOM 529 C ALA A 37 -4.354 -8.781 11.533 1.00 0.00 C ATOM 530 O ALA A 37 -4.310 -7.669 12.058 1.00 0.00 O ATOM 531 CB ALA A 37 -5.807 -10.709 12.331 1.00 0.00 C ATOM 0 H ALA A 37 -5.918 -10.982 9.902 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.483 -8.815 11.637 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -5.700 -10.367 13.360 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.782 -11.179 12.205 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -5.024 -11.433 12.106 1.00 0.00 H new ATOM 537 N ASP A 38 -3.300 -9.432 11.065 1.00 0.00 N ATOM 538 CA ASP A 38 -1.969 -8.854 11.142 1.00 0.00 C ATOM 539 C ASP A 38 -2.015 -7.408 10.645 1.00 0.00 C ATOM 540 O ASP A 38 -1.790 -6.475 11.415 1.00 0.00 O ATOM 541 CB ASP A 38 -0.982 -9.625 10.263 1.00 0.00 C ATOM 542 CG ASP A 38 -0.939 -11.134 10.508 1.00 0.00 C ATOM 543 OD1 ASP A 38 -1.482 -11.555 11.552 1.00 0.00 O ATOM 544 OD2 ASP A 38 -0.365 -11.833 9.645 1.00 0.00 O ATOM 0 H ASP A 38 -3.340 -10.354 10.631 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.641 -8.902 12.180 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.236 -9.449 9.218 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.017 -9.218 10.421 1.00 0.00 H new ATOM 549 N PHE A 39 -2.309 -7.266 9.361 1.00 0.00 N ATOM 550 CA PHE A 39 -2.389 -5.949 8.752 1.00 0.00 C ATOM 551 C PHE A 39 -3.384 -5.059 9.499 1.00 0.00 C ATOM 552 O PHE A 39 -3.113 -3.883 9.737 1.00 0.00 O ATOM 553 CB PHE A 39 -2.878 -6.149 7.317 1.00 0.00 C ATOM 554 CG PHE A 39 -3.077 -4.846 6.540 1.00 0.00 C ATOM 555 CD1 PHE A 39 -2.093 -3.907 6.524 1.00 0.00 C ATOM 556 CD2 PHE A 39 -4.237 -4.626 5.866 1.00 0.00 C ATOM 557 CE1 PHE A 39 -2.277 -2.698 5.803 1.00 0.00 C ATOM 558 CE2 PHE A 39 -4.421 -3.416 5.145 1.00 0.00 C ATOM 559 CZ PHE A 39 -3.437 -2.478 5.129 1.00 0.00 C ATOM 0 H PHE A 39 -2.495 -8.042 8.725 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.414 -5.464 8.785 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.161 -6.772 6.783 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.821 -6.695 7.338 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -1.172 -4.081 7.060 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -5.019 -5.371 5.879 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.495 -1.953 5.790 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -5.342 -3.241 4.610 1.00 0.00 H new ATOM 0 HZ PHE A 39 -3.577 -1.558 4.581 1.00 0.00 H new ATOM 569 N GLU A 40 -4.515 -5.654 9.848 1.00 0.00 N ATOM 570 CA GLU A 40 -5.552 -4.930 10.563 1.00 0.00 C ATOM 571 C GLU A 40 -4.989 -4.331 11.853 1.00 0.00 C ATOM 572 O GLU A 40 -5.069 -3.123 12.067 1.00 0.00 O ATOM 573 CB GLU A 40 -6.751 -5.835 10.856 1.00 0.00 C ATOM 574 CG GLU A 40 -7.740 -5.830 9.689 1.00 0.00 C ATOM 575 CD GLU A 40 -9.065 -6.480 10.091 1.00 0.00 C ATOM 576 OE1 GLU A 40 -9.728 -5.911 10.985 1.00 0.00 O ATOM 577 OE2 GLU A 40 -9.386 -7.531 9.495 1.00 0.00 O ATOM 0 H GLU A 40 -4.736 -6.630 9.649 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.901 -4.115 9.929 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.407 -6.852 11.041 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -7.252 -5.498 11.763 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.918 -4.805 9.363 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.311 -6.365 8.842 1.00 0.00 H new ATOM 584 N GLU A 41 -4.432 -5.205 12.679 1.00 0.00 N ATOM 585 CA GLU A 41 -3.855 -4.778 13.942 1.00 0.00 C ATOM 586 C GLU A 41 -2.809 -3.686 13.706 1.00 0.00 C ATOM 587 O GLU A 41 -2.595 -2.831 14.564 1.00 0.00 O ATOM 588 CB GLU A 41 -3.250 -5.963 14.697 1.00 0.00 C ATOM 589 CG GLU A 41 -4.040 -6.262 15.972 1.00 0.00 C ATOM 590 CD GLU A 41 -3.356 -5.653 17.198 1.00 0.00 C ATOM 591 OE1 GLU A 41 -2.107 -5.609 17.186 1.00 0.00 O ATOM 592 OE2 GLU A 41 -4.097 -5.245 18.118 1.00 0.00 O ATOM 0 H GLU A 41 -4.368 -6.207 12.498 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.651 -4.364 14.561 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.244 -6.843 14.054 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.212 -5.746 14.950 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.050 -5.863 15.880 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.133 -7.340 16.102 1.00 0.00 H new ATOM 599 N LYS A 42 -2.185 -3.751 12.539 1.00 0.00 N ATOM 600 CA LYS A 42 -1.167 -2.779 12.179 1.00 0.00 C ATOM 601 C LYS A 42 -1.842 -1.470 11.766 1.00 0.00 C ATOM 602 O LYS A 42 -1.600 -0.425 12.370 1.00 0.00 O ATOM 603 CB LYS A 42 -0.232 -3.352 11.113 1.00 0.00 C ATOM 604 CG LYS A 42 0.692 -4.416 11.708 1.00 0.00 C ATOM 605 CD LYS A 42 1.889 -4.679 10.791 1.00 0.00 C ATOM 606 CE LYS A 42 2.754 -5.819 11.332 1.00 0.00 C ATOM 607 NZ LYS A 42 4.100 -5.784 10.717 1.00 0.00 N ATOM 0 H LYS A 42 -2.365 -4.462 11.830 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.534 -2.555 13.037 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.820 -3.787 10.305 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.364 -2.550 10.678 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.044 -4.091 12.687 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.136 -5.341 11.861 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.537 -4.928 9.790 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.489 -3.773 10.701 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.840 -5.736 12.415 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.277 -6.776 11.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.675 -6.564 11.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.013 -5.886 9.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.559 -4.877 10.938 1.00 0.00 H new ATOM 621 N VAL A 43 -2.674 -1.568 10.740 1.00 0.00 N ATOM 622 CA VAL A 43 -3.385 -0.404 10.239 1.00 0.00 C ATOM 623 C VAL A 43 -3.950 0.390 11.419 1.00 0.00 C ATOM 624 O VAL A 43 -3.902 1.619 11.424 1.00 0.00 O ATOM 625 CB VAL A 43 -4.461 -0.837 9.241 1.00 0.00 C ATOM 626 CG1 VAL A 43 -5.333 0.349 8.826 1.00 0.00 C ATOM 627 CG2 VAL A 43 -3.834 -1.511 8.019 1.00 0.00 C ATOM 0 H VAL A 43 -2.872 -2.436 10.242 1.00 0.00 H new ATOM 0 HA VAL A 43 -2.705 0.255 9.699 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.102 -1.567 9.735 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.089 0.014 8.116 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -5.821 0.767 9.706 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.711 1.112 8.359 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.620 -1.809 7.325 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.159 -0.812 7.524 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.276 -2.392 8.336 1.00 0.00 H new ATOM 637 N LYS A 44 -4.471 -0.345 12.390 1.00 0.00 N ATOM 638 CA LYS A 44 -5.044 0.275 13.573 1.00 0.00 C ATOM 639 C LYS A 44 -3.923 0.884 14.418 1.00 0.00 C ATOM 640 O LYS A 44 -4.085 1.965 14.983 1.00 0.00 O ATOM 641 CB LYS A 44 -5.914 -0.726 14.335 1.00 0.00 C ATOM 642 CG LYS A 44 -5.778 -0.532 15.846 1.00 0.00 C ATOM 643 CD LYS A 44 -6.591 -1.580 16.609 1.00 0.00 C ATOM 644 CE LYS A 44 -6.145 -1.662 18.071 1.00 0.00 C ATOM 645 NZ LYS A 44 -6.854 -2.759 18.768 1.00 0.00 N ATOM 0 H LYS A 44 -4.509 -1.364 12.382 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.710 1.090 13.291 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -6.957 -0.604 14.042 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.624 -1.742 14.068 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.729 -0.602 16.132 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.117 0.467 16.120 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -7.651 -1.329 16.562 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.473 -2.554 16.134 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.069 -1.827 18.120 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.345 -0.715 18.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.540 -2.801 19.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.879 -2.585 18.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.642 -3.663 18.299 1.00 0.00 H new ATOM 659 N GLN A 45 -2.813 0.164 14.478 1.00 0.00 N ATOM 660 CA GLN A 45 -1.666 0.620 15.244 1.00 0.00 C ATOM 661 C GLN A 45 -1.168 1.964 14.707 1.00 0.00 C ATOM 662 O GLN A 45 -0.663 2.790 15.465 1.00 0.00 O ATOM 663 CB GLN A 45 -0.547 -0.424 15.231 1.00 0.00 C ATOM 664 CG GLN A 45 -0.436 -1.126 16.586 1.00 0.00 C ATOM 665 CD GLN A 45 0.919 -0.846 17.238 1.00 0.00 C ATOM 666 OE1 GLN A 45 1.887 -1.565 17.052 1.00 0.00 O ATOM 667 NE2 GLN A 45 0.934 0.236 18.012 1.00 0.00 N ATOM 0 H GLN A 45 -2.683 -0.732 14.009 1.00 0.00 H new ATOM 0 HA GLN A 45 -1.978 0.758 16.279 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -0.741 -1.160 14.451 1.00 0.00 H new ATOM 0 HB3 GLN A 45 0.401 0.056 14.988 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -1.237 -0.786 17.243 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -0.566 -2.200 16.455 1.00 0.00 H new ATOM 0 HE21 GLN A 45 0.088 0.794 18.125 1.00 0.00 H new ATOM 0 HE22 GLN A 45 1.792 0.507 18.493 1.00 0.00 H new ATOM 676 N LEU A 46 -1.329 2.140 13.404 1.00 0.00 N ATOM 677 CA LEU A 46 -0.902 3.369 12.756 1.00 0.00 C ATOM 678 C LEU A 46 -1.763 4.530 13.259 1.00 0.00 C ATOM 679 O LEU A 46 -1.281 5.654 13.388 1.00 0.00 O ATOM 680 CB LEU A 46 -0.917 3.206 11.235 1.00 0.00 C ATOM 681 CG LEU A 46 0.398 2.753 10.597 1.00 0.00 C ATOM 682 CD1 LEU A 46 0.200 2.407 9.120 1.00 0.00 C ATOM 683 CD2 LEU A 46 1.495 3.801 10.798 1.00 0.00 C ATOM 0 H LEU A 46 -1.749 1.452 12.779 1.00 0.00 H new ATOM 0 HA LEU A 46 0.131 3.600 13.018 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.692 2.485 10.974 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.205 4.158 10.790 1.00 0.00 H new ATOM 0 HG LEU A 46 0.726 1.843 11.100 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.150 2.088 8.691 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.528 1.601 9.030 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.163 3.285 8.586 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.419 3.454 10.335 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.189 4.741 10.338 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.659 3.956 11.864 1.00 0.00 H new ATOM 695 N ILE A 47 -3.022 4.218 13.528 1.00 0.00 N ATOM 696 CA ILE A 47 -3.955 5.221 14.013 1.00 0.00 C ATOM 697 C ILE A 47 -3.492 5.722 15.383 1.00 0.00 C ATOM 698 O ILE A 47 -3.227 6.910 15.556 1.00 0.00 O ATOM 699 CB ILE A 47 -5.383 4.672 14.010 1.00 0.00 C ATOM 700 CG1 ILE A 47 -5.783 4.195 12.612 1.00 0.00 C ATOM 701 CG2 ILE A 47 -6.367 5.701 14.569 1.00 0.00 C ATOM 702 CD1 ILE A 47 -6.846 3.097 12.691 1.00 0.00 C ATOM 0 H ILE A 47 -3.418 3.284 13.419 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.968 6.082 13.345 1.00 0.00 H new ATOM 0 HB ILE A 47 -5.418 3.804 14.668 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.165 5.035 12.033 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -4.905 3.819 12.087 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -7.375 5.286 14.556 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -6.091 5.950 15.594 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.338 6.602 13.957 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -7.113 2.776 11.684 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -6.452 2.249 13.250 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -7.732 3.484 13.195 1.00 0.00 H new ATOM 714 N ASP A 48 -3.407 4.789 16.320 1.00 0.00 N ATOM 715 CA ASP A 48 -2.981 5.121 17.669 1.00 0.00 C ATOM 716 C ASP A 48 -1.609 5.797 17.614 1.00 0.00 C ATOM 717 O ASP A 48 -1.320 6.690 18.409 1.00 0.00 O ATOM 718 CB ASP A 48 -2.854 3.864 18.532 1.00 0.00 C ATOM 719 CG ASP A 48 -3.547 3.941 19.893 1.00 0.00 C ATOM 720 OD1 ASP A 48 -4.657 4.515 19.933 1.00 0.00 O ATOM 721 OD2 ASP A 48 -2.952 3.424 20.863 1.00 0.00 O ATOM 0 H ASP A 48 -3.626 3.804 16.172 1.00 0.00 H new ATOM 0 HA ASP A 48 -3.729 5.784 18.105 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.265 3.019 17.979 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -1.796 3.656 18.691 1.00 0.00 H new ATOM 726 N ILE A 49 -0.800 5.345 16.667 1.00 0.00 N ATOM 727 CA ILE A 49 0.534 5.895 16.497 1.00 0.00 C ATOM 728 C ILE A 49 0.429 7.306 15.913 1.00 0.00 C ATOM 729 O ILE A 49 0.712 8.288 16.598 1.00 0.00 O ATOM 730 CB ILE A 49 1.402 4.949 15.666 1.00 0.00 C ATOM 731 CG1 ILE A 49 1.685 3.652 16.429 1.00 0.00 C ATOM 732 CG2 ILE A 49 2.690 5.640 15.215 1.00 0.00 C ATOM 733 CD1 ILE A 49 1.913 2.487 15.463 1.00 0.00 C ATOM 0 H ILE A 49 -1.043 4.604 16.009 1.00 0.00 H new ATOM 0 HA ILE A 49 1.034 5.985 17.461 1.00 0.00 H new ATOM 0 HB ILE A 49 0.849 4.680 14.766 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.563 3.782 17.062 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.848 3.424 17.089 1.00 0.00 H new ATOM 0 HG21 ILE A 49 3.289 4.945 14.626 1.00 0.00 H new ATOM 0 HG22 ILE A 49 2.442 6.511 14.608 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.258 5.957 16.089 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.112 1.578 16.030 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.024 2.344 14.849 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.766 2.708 14.821 1.00 0.00 H new ATOM 745 N THR A 50 0.023 7.361 14.654 1.00 0.00 N ATOM 746 CA THR A 50 -0.123 8.635 13.970 1.00 0.00 C ATOM 747 C THR A 50 -1.427 9.318 14.386 1.00 0.00 C ATOM 748 O THR A 50 -1.407 10.330 15.085 1.00 0.00 O ATOM 749 CB THR A 50 -0.025 8.377 12.465 1.00 0.00 C ATOM 750 OG1 THR A 50 -1.236 7.694 12.150 1.00 0.00 O ATOM 751 CG2 THR A 50 1.073 7.372 12.113 1.00 0.00 C ATOM 0 H THR A 50 -0.210 6.544 14.089 1.00 0.00 H new ATOM 0 HA THR A 50 0.672 9.327 14.248 1.00 0.00 H new ATOM 0 HB THR A 50 0.165 9.317 11.948 1.00 0.00 H new ATOM 0 HG1 THR A 50 -1.150 6.748 12.390 1.00 0.00 H new ATOM 0 HG21 THR A 50 1.099 7.225 11.033 1.00 0.00 H new ATOM 0 HG22 THR A 50 2.037 7.753 12.451 1.00 0.00 H new ATOM 0 HG23 THR A 50 0.866 6.421 12.603 1.00 0.00 H new ATOM 759 N GLY A 51 -2.531 8.737 13.939 1.00 0.00 N ATOM 760 CA GLY A 51 -3.842 9.277 14.256 1.00 0.00 C ATOM 761 C GLY A 51 -4.538 9.801 12.998 1.00 0.00 C ATOM 762 O GLY A 51 -5.482 10.585 13.088 1.00 0.00 O ATOM 0 H GLY A 51 -2.544 7.898 13.360 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.455 8.504 14.720 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.741 10.083 14.983 1.00 0.00 H new ATOM 766 N LYS A 52 -4.044 9.349 11.855 1.00 0.00 N ATOM 767 CA LYS A 52 -4.607 9.762 10.581 1.00 0.00 C ATOM 768 C LYS A 52 -5.816 8.884 10.253 1.00 0.00 C ATOM 769 O LYS A 52 -6.181 8.007 11.034 1.00 0.00 O ATOM 770 CB LYS A 52 -3.531 9.759 9.494 1.00 0.00 C ATOM 771 CG LYS A 52 -2.306 10.564 9.932 1.00 0.00 C ATOM 772 CD LYS A 52 -2.446 12.035 9.537 1.00 0.00 C ATOM 773 CE LYS A 52 -1.088 12.636 9.170 1.00 0.00 C ATOM 774 NZ LYS A 52 -1.252 13.720 8.176 1.00 0.00 N ATOM 0 H LYS A 52 -3.260 8.701 11.785 1.00 0.00 H new ATOM 0 HA LYS A 52 -4.966 10.790 10.639 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.236 8.733 9.272 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.937 10.180 8.574 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.181 10.484 11.012 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.409 10.145 9.476 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.128 12.125 8.691 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.885 12.596 10.362 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.602 13.026 10.065 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.437 11.860 8.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.321 14.117 7.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.696 13.338 7.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.855 14.468 8.574 1.00 0.00 H new ATOM 788 N ASN A 53 -6.404 9.150 9.095 1.00 0.00 N ATOM 789 CA ASN A 53 -7.564 8.394 8.654 1.00 0.00 C ATOM 790 C ASN A 53 -7.153 6.945 8.390 1.00 0.00 C ATOM 791 O ASN A 53 -6.366 6.674 7.484 1.00 0.00 O ATOM 792 CB ASN A 53 -8.133 8.968 7.355 1.00 0.00 C ATOM 793 CG ASN A 53 -8.536 10.433 7.533 1.00 0.00 C ATOM 794 OD1 ASN A 53 -8.754 10.915 8.633 1.00 0.00 O ATOM 795 ND2 ASN A 53 -8.624 11.113 6.393 1.00 0.00 N ATOM 0 H ASN A 53 -6.099 9.878 8.449 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.321 8.451 9.436 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -7.391 8.885 6.561 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -8.999 8.384 7.044 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -8.887 12.098 6.406 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -8.428 10.649 5.506 1.00 0.00 H new ATOM 802 N GLN A 54 -7.703 6.051 9.199 1.00 0.00 N ATOM 803 CA GLN A 54 -7.403 4.635 9.064 1.00 0.00 C ATOM 804 C GLN A 54 -7.292 4.254 7.586 1.00 0.00 C ATOM 805 O GLN A 54 -6.254 3.766 7.144 1.00 0.00 O ATOM 806 CB GLN A 54 -8.457 3.782 9.773 1.00 0.00 C ATOM 807 CG GLN A 54 -8.018 2.318 9.846 1.00 0.00 C ATOM 808 CD GLN A 54 -8.710 1.596 11.004 1.00 0.00 C ATOM 809 OE1 GLN A 54 -9.653 2.088 11.602 1.00 0.00 O ATOM 810 NE2 GLN A 54 -8.192 0.404 11.285 1.00 0.00 N ATOM 0 H GLN A 54 -8.354 6.279 9.950 1.00 0.00 H new ATOM 0 HA GLN A 54 -6.443 4.439 9.542 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -8.624 4.166 10.779 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -9.406 3.855 9.242 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -8.254 1.817 8.907 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -6.937 2.265 9.973 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -7.402 0.051 10.745 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -8.585 -0.157 12.041 1.00 0.00 H new ATOM 819 N ASP A 55 -8.377 4.492 6.864 1.00 0.00 N ATOM 820 CA ASP A 55 -8.415 4.180 5.445 1.00 0.00 C ATOM 821 C ASP A 55 -7.076 4.559 4.809 1.00 0.00 C ATOM 822 O ASP A 55 -6.468 3.752 4.107 1.00 0.00 O ATOM 823 CB ASP A 55 -9.516 4.970 4.737 1.00 0.00 C ATOM 824 CG ASP A 55 -9.919 6.276 5.424 1.00 0.00 C ATOM 825 OD1 ASP A 55 -10.440 6.185 6.556 1.00 0.00 O ATOM 826 OD2 ASP A 55 -9.697 7.337 4.801 1.00 0.00 O ATOM 0 H ASP A 55 -9.236 4.897 7.235 1.00 0.00 H new ATOM 0 HA ASP A 55 -8.612 3.113 5.339 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -9.185 5.197 3.724 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -10.398 4.336 4.649 1.00 0.00 H new ATOM 831 N GLU A 56 -6.657 5.787 5.076 1.00 0.00 N ATOM 832 CA GLU A 56 -5.401 6.283 4.538 1.00 0.00 C ATOM 833 C GLU A 56 -4.237 5.416 5.022 1.00 0.00 C ATOM 834 O GLU A 56 -3.334 5.096 4.251 1.00 0.00 O ATOM 835 CB GLU A 56 -5.186 7.750 4.913 1.00 0.00 C ATOM 836 CG GLU A 56 -6.204 8.651 4.212 1.00 0.00 C ATOM 837 CD GLU A 56 -5.643 9.192 2.895 1.00 0.00 C ATOM 838 OE1 GLU A 56 -5.705 8.439 1.900 1.00 0.00 O ATOM 839 OE2 GLU A 56 -5.165 10.347 2.914 1.00 0.00 O ATOM 0 H GLU A 56 -7.165 6.454 5.658 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.445 6.223 3.451 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.273 7.869 5.993 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.176 8.055 4.639 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.119 8.090 4.019 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.471 9.481 4.866 1.00 0.00 H new ATOM 846 N CYS A 57 -4.296 5.060 6.297 1.00 0.00 N ATOM 847 CA CYS A 57 -3.258 4.237 6.893 1.00 0.00 C ATOM 848 C CYS A 57 -3.161 2.935 6.096 1.00 0.00 C ATOM 849 O CYS A 57 -2.066 2.423 5.867 1.00 0.00 O ATOM 850 CB CYS A 57 -3.523 3.979 8.378 1.00 0.00 C ATOM 851 SG CYS A 57 -3.397 5.544 9.318 1.00 0.00 S ATOM 0 H CYS A 57 -5.047 5.327 6.934 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.304 4.762 6.848 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -4.515 3.546 8.509 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -2.805 3.255 8.763 1.00 0.00 H new ATOM 0 HG CYS A 57 -3.626 5.314 10.577 1.00 0.00 H new ATOM 857 N VAL A 58 -4.321 2.436 5.696 1.00 0.00 N ATOM 858 CA VAL A 58 -4.380 1.203 4.929 1.00 0.00 C ATOM 859 C VAL A 58 -3.662 1.403 3.593 1.00 0.00 C ATOM 860 O VAL A 58 -3.060 0.471 3.062 1.00 0.00 O ATOM 861 CB VAL A 58 -5.835 0.758 4.764 1.00 0.00 C ATOM 862 CG1 VAL A 58 -5.925 -0.536 3.953 1.00 0.00 C ATOM 863 CG2 VAL A 58 -6.518 0.602 6.125 1.00 0.00 C ATOM 0 H VAL A 58 -5.227 2.863 5.888 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.866 0.400 5.458 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.362 1.536 4.212 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -6.970 -0.830 3.851 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.495 -0.376 2.964 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.375 -1.325 4.465 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -7.551 0.285 5.980 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.988 -0.147 6.714 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.502 1.556 6.652 1.00 0.00 H new ATOM 873 N ILE A 59 -3.748 2.625 3.088 1.00 0.00 N ATOM 874 CA ILE A 59 -3.113 2.959 1.825 1.00 0.00 C ATOM 875 C ILE A 59 -1.606 3.107 2.039 1.00 0.00 C ATOM 876 O ILE A 59 -0.814 2.409 1.408 1.00 0.00 O ATOM 877 CB ILE A 59 -3.771 4.194 1.205 1.00 0.00 C ATOM 878 CG1 ILE A 59 -5.253 3.942 0.921 1.00 0.00 C ATOM 879 CG2 ILE A 59 -3.016 4.647 -0.046 1.00 0.00 C ATOM 880 CD1 ILE A 59 -6.057 5.240 1.009 1.00 0.00 C ATOM 0 H ILE A 59 -4.248 3.396 3.531 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.254 2.154 1.103 1.00 0.00 H new ATOM 0 HB ILE A 59 -3.716 5.009 1.927 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.368 3.506 -0.071 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -5.646 3.218 1.635 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -3.504 5.526 -0.467 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -1.988 4.895 0.219 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.017 3.844 -0.783 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.107 5.032 0.803 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -5.960 5.661 2.010 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -5.678 5.953 0.277 1.00 0.00 H new ATOM 892 N ALA A 60 -1.255 4.021 2.932 1.00 0.00 N ATOM 893 CA ALA A 60 0.144 4.270 3.238 1.00 0.00 C ATOM 894 C ALA A 60 0.824 2.949 3.605 1.00 0.00 C ATOM 895 O ALA A 60 1.875 2.616 3.060 1.00 0.00 O ATOM 896 CB ALA A 60 0.245 5.308 4.357 1.00 0.00 C ATOM 0 H ALA A 60 -1.915 4.598 3.453 1.00 0.00 H new ATOM 0 HA ALA A 60 0.661 4.677 2.369 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.294 5.495 4.586 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -0.227 6.236 4.036 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.260 4.933 5.247 1.00 0.00 H new ATOM 902 N LEU A 61 0.196 2.233 4.526 1.00 0.00 N ATOM 903 CA LEU A 61 0.728 0.956 4.971 1.00 0.00 C ATOM 904 C LEU A 61 0.965 0.056 3.757 1.00 0.00 C ATOM 905 O LEU A 61 2.106 -0.276 3.440 1.00 0.00 O ATOM 906 CB LEU A 61 -0.187 0.335 6.029 1.00 0.00 C ATOM 907 CG LEU A 61 0.399 -0.838 6.817 1.00 0.00 C ATOM 908 CD1 LEU A 61 1.822 -0.527 7.286 1.00 0.00 C ATOM 909 CD2 LEU A 61 -0.515 -1.229 7.980 1.00 0.00 C ATOM 0 H LEU A 61 -0.676 2.513 4.976 1.00 0.00 H new ATOM 0 HA LEU A 61 1.693 1.094 5.458 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.474 1.114 6.735 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.100 -0.003 5.538 1.00 0.00 H new ATOM 0 HG LEU A 61 0.460 -1.699 6.152 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.215 -1.377 7.844 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.457 -0.336 6.421 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.809 0.354 7.928 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.075 -2.065 8.523 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.631 -0.380 8.653 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.491 -1.521 7.593 1.00 0.00 H new ATOM 921 N HIS A 62 -0.131 -0.315 3.112 1.00 0.00 N ATOM 922 CA HIS A 62 -0.057 -1.170 1.940 1.00 0.00 C ATOM 923 C HIS A 62 0.973 -0.607 0.958 1.00 0.00 C ATOM 924 O HIS A 62 1.964 -1.266 0.647 1.00 0.00 O ATOM 925 CB HIS A 62 -1.439 -1.351 1.310 1.00 0.00 C ATOM 926 CG HIS A 62 -1.405 -1.852 -0.114 1.00 0.00 C ATOM 927 ND1 HIS A 62 -1.849 -3.112 -0.476 1.00 0.00 N ATOM 928 CD2 HIS A 62 -0.977 -1.250 -1.260 1.00 0.00 C ATOM 929 CE1 HIS A 62 -1.689 -3.252 -1.784 1.00 0.00 C ATOM 930 NE2 HIS A 62 -1.148 -2.097 -2.268 1.00 0.00 N ATOM 0 H HIS A 62 -1.076 -0.039 3.379 1.00 0.00 H new ATOM 0 HA HIS A 62 0.277 -2.165 2.233 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -2.014 -2.050 1.917 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -1.966 -0.397 1.336 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -0.568 -0.253 -1.335 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -1.942 -4.127 -2.365 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -0.913 -1.914 -3.244 1.00 0.00 H new ATOM 938 N ASP A 63 0.703 0.605 0.498 1.00 0.00 N ATOM 939 CA ASP A 63 1.593 1.264 -0.442 1.00 0.00 C ATOM 940 C ASP A 63 3.044 1.014 -0.025 1.00 0.00 C ATOM 941 O ASP A 63 3.854 0.553 -0.828 1.00 0.00 O ATOM 942 CB ASP A 63 1.359 2.776 -0.456 1.00 0.00 C ATOM 943 CG ASP A 63 1.973 3.515 -1.647 1.00 0.00 C ATOM 944 OD1 ASP A 63 1.934 2.937 -2.754 1.00 0.00 O ATOM 945 OD2 ASP A 63 2.467 4.641 -1.422 1.00 0.00 O ATOM 0 H ASP A 63 -0.120 1.148 0.759 1.00 0.00 H new ATOM 0 HA ASP A 63 1.394 0.859 -1.434 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.285 2.962 -0.447 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.764 3.200 0.463 1.00 0.00 H new ATOM 950 N CYS A 64 3.328 1.330 1.230 1.00 0.00 N ATOM 951 CA CYS A 64 4.667 1.146 1.764 1.00 0.00 C ATOM 952 C CYS A 64 5.074 -0.313 1.546 1.00 0.00 C ATOM 953 O CYS A 64 5.954 -0.601 0.735 1.00 0.00 O ATOM 954 CB CYS A 64 4.748 1.547 3.238 1.00 0.00 C ATOM 955 SG CYS A 64 5.575 3.171 3.400 1.00 0.00 S ATOM 0 H CYS A 64 2.654 1.712 1.893 1.00 0.00 H new ATOM 0 HA CYS A 64 5.364 1.799 1.239 1.00 0.00 H new ATOM 0 HB2 CYS A 64 3.747 1.595 3.666 1.00 0.00 H new ATOM 0 HB3 CYS A 64 5.298 0.792 3.799 1.00 0.00 H new ATOM 0 HG CYS A 64 6.688 3.160 2.729 1.00 0.00 H new ATOM 961 N ASN A 65 4.415 -1.194 2.283 1.00 0.00 N ATOM 962 CA ASN A 65 4.697 -2.616 2.180 1.00 0.00 C ATOM 963 C ASN A 65 4.265 -3.312 3.472 1.00 0.00 C ATOM 964 O ASN A 65 5.003 -4.131 4.017 1.00 0.00 O ATOM 965 CB ASN A 65 6.193 -2.867 1.985 1.00 0.00 C ATOM 966 CG ASN A 65 6.522 -3.109 0.511 1.00 0.00 C ATOM 967 OD1 ASN A 65 5.788 -3.758 -0.217 1.00 0.00 O ATOM 968 ND2 ASN A 65 7.662 -2.553 0.112 1.00 0.00 N ATOM 0 H ASN A 65 3.686 -0.951 2.954 1.00 0.00 H new ATOM 0 HA ASN A 65 4.151 -3.007 1.322 1.00 0.00 H new ATOM 0 HB2 ASN A 65 6.760 -2.011 2.352 1.00 0.00 H new ATOM 0 HB3 ASN A 65 6.500 -3.730 2.576 1.00 0.00 H new ATOM 0 HD21 ASN A 65 7.969 -2.657 -0.855 1.00 0.00 H new ATOM 0 HD22 ASN A 65 8.229 -2.022 0.773 1.00 0.00 H new ATOM 975 N GLY A 66 3.070 -2.960 3.925 1.00 0.00 N ATOM 976 CA GLY A 66 2.531 -3.541 5.143 1.00 0.00 C ATOM 977 C GLY A 66 3.410 -3.201 6.348 1.00 0.00 C ATOM 978 O GLY A 66 3.296 -3.828 7.401 1.00 0.00 O ATOM 0 H GLY A 66 2.460 -2.280 3.470 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.520 -3.171 5.310 1.00 0.00 H new ATOM 0 HA3 GLY A 66 2.460 -4.623 5.034 1.00 0.00 H new ATOM 982 N ASP A 67 4.267 -2.209 6.155 1.00 0.00 N ATOM 983 CA ASP A 67 5.164 -1.778 7.213 1.00 0.00 C ATOM 984 C ASP A 67 4.551 -0.580 7.940 1.00 0.00 C ATOM 985 O ASP A 67 4.262 0.444 7.323 1.00 0.00 O ATOM 986 CB ASP A 67 6.517 -1.344 6.645 1.00 0.00 C ATOM 987 CG ASP A 67 7.692 -2.256 7.004 1.00 0.00 C ATOM 988 OD1 ASP A 67 8.315 -1.992 8.054 1.00 0.00 O ATOM 989 OD2 ASP A 67 7.940 -3.197 6.219 1.00 0.00 O ATOM 0 H ASP A 67 4.359 -1.691 5.281 1.00 0.00 H new ATOM 0 HA ASP A 67 5.310 -2.617 7.893 1.00 0.00 H new ATOM 0 HB2 ASP A 67 6.438 -1.289 5.559 1.00 0.00 H new ATOM 0 HB3 ASP A 67 6.737 -0.337 7.000 1.00 0.00 H new ATOM 994 N VAL A 68 4.369 -0.749 9.242 1.00 0.00 N ATOM 995 CA VAL A 68 3.795 0.306 10.060 1.00 0.00 C ATOM 996 C VAL A 68 4.781 1.472 10.147 1.00 0.00 C ATOM 997 O VAL A 68 4.377 2.634 10.144 1.00 0.00 O ATOM 998 CB VAL A 68 3.403 -0.250 11.431 1.00 0.00 C ATOM 999 CG1 VAL A 68 3.390 0.857 12.487 1.00 0.00 C ATOM 1000 CG2 VAL A 68 2.051 -0.963 11.367 1.00 0.00 C ATOM 0 H VAL A 68 4.609 -1.600 9.750 1.00 0.00 H new ATOM 0 HA VAL A 68 2.881 0.687 9.605 1.00 0.00 H new ATOM 0 HB VAL A 68 4.155 -0.983 11.723 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.108 0.436 13.452 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.383 1.301 12.561 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.670 1.624 12.202 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.796 -1.349 12.354 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.284 -0.260 11.043 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.109 -1.789 10.658 1.00 0.00 H new ATOM 1010 N ASN A 69 6.057 1.122 10.224 1.00 0.00 N ATOM 1011 CA ASN A 69 7.104 2.125 10.312 1.00 0.00 C ATOM 1012 C ASN A 69 7.174 2.900 8.996 1.00 0.00 C ATOM 1013 O ASN A 69 6.945 4.108 8.970 1.00 0.00 O ATOM 1014 CB ASN A 69 8.469 1.476 10.552 1.00 0.00 C ATOM 1015 CG ASN A 69 8.349 0.281 11.500 1.00 0.00 C ATOM 1016 OD1 ASN A 69 8.335 0.416 12.712 1.00 0.00 O ATOM 1017 ND2 ASN A 69 8.264 -0.893 10.881 1.00 0.00 N ATOM 0 H ASN A 69 6.389 0.158 10.227 1.00 0.00 H new ATOM 0 HA ASN A 69 6.868 2.787 11.145 1.00 0.00 H new ATOM 0 HB2 ASN A 69 8.893 1.150 9.602 1.00 0.00 H new ATOM 0 HB3 ASN A 69 9.156 2.211 10.972 1.00 0.00 H new ATOM 0 HD21 ASN A 69 8.181 -1.752 11.425 1.00 0.00 H new ATOM 0 HD22 ASN A 69 8.282 -0.935 9.862 1.00 0.00 H new ATOM 1024 N ARG A 70 7.492 2.174 7.934 1.00 0.00 N ATOM 1025 CA ARG A 70 7.595 2.778 6.617 1.00 0.00 C ATOM 1026 C ARG A 70 6.378 3.664 6.343 1.00 0.00 C ATOM 1027 O ARG A 70 6.499 4.713 5.712 1.00 0.00 O ATOM 1028 CB ARG A 70 7.695 1.710 5.526 1.00 0.00 C ATOM 1029 CG ARG A 70 8.968 0.878 5.689 1.00 0.00 C ATOM 1030 CD ARG A 70 9.996 1.233 4.612 1.00 0.00 C ATOM 1031 NE ARG A 70 11.113 0.263 4.639 1.00 0.00 N ATOM 1032 CZ ARG A 70 11.922 0.019 3.599 1.00 0.00 C ATOM 1033 NH1 ARG A 70 11.742 0.672 2.443 1.00 0.00 N ATOM 1034 NH2 ARG A 70 12.910 -0.879 3.714 1.00 0.00 N ATOM 0 H ARG A 70 7.682 1.172 7.959 1.00 0.00 H new ATOM 0 HA ARG A 70 8.501 3.383 6.601 1.00 0.00 H new ATOM 0 HB2 ARG A 70 6.822 1.058 5.569 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.690 2.185 4.545 1.00 0.00 H new ATOM 0 HG2 ARG A 70 9.396 1.051 6.676 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.724 -0.183 5.629 1.00 0.00 H new ATOM 0 HD2 ARG A 70 9.523 1.228 3.630 1.00 0.00 H new ATOM 0 HD3 ARG A 70 10.375 2.241 4.778 1.00 0.00 H new ATOM 0 HE ARG A 70 11.278 -0.252 5.504 1.00 0.00 H new ATOM 0 HH11 ARG A 70 10.989 1.355 2.355 1.00 0.00 H new ATOM 0 HH12 ARG A 70 12.358 0.486 1.651 1.00 0.00 H new ATOM 0 HH21 ARG A 70 13.047 -1.377 4.594 1.00 0.00 H new ATOM 0 HH22 ARG A 70 13.525 -1.064 2.922 1.00 0.00 H new ATOM 1048 N ALA A 71 5.233 3.210 6.831 1.00 0.00 N ATOM 1049 CA ALA A 71 3.995 3.949 6.647 1.00 0.00 C ATOM 1050 C ALA A 71 4.125 5.324 7.304 1.00 0.00 C ATOM 1051 O ALA A 71 3.893 6.347 6.662 1.00 0.00 O ATOM 1052 CB ALA A 71 2.828 3.139 7.215 1.00 0.00 C ATOM 0 H ALA A 71 5.136 2.339 7.354 1.00 0.00 H new ATOM 0 HA ALA A 71 3.796 4.108 5.587 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.899 3.693 7.077 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.761 2.183 6.695 1.00 0.00 H new ATOM 0 HB3 ALA A 71 2.991 2.963 8.278 1.00 0.00 H new ATOM 1058 N ILE A 72 4.494 5.305 8.576 1.00 0.00 N ATOM 1059 CA ILE A 72 4.657 6.538 9.327 1.00 0.00 C ATOM 1060 C ILE A 72 5.423 7.552 8.475 1.00 0.00 C ATOM 1061 O ILE A 72 5.028 8.713 8.381 1.00 0.00 O ATOM 1062 CB ILE A 72 5.309 6.257 10.683 1.00 0.00 C ATOM 1063 CG1 ILE A 72 4.317 5.598 11.643 1.00 0.00 C ATOM 1064 CG2 ILE A 72 5.917 7.531 11.273 1.00 0.00 C ATOM 1065 CD1 ILE A 72 4.982 4.464 12.426 1.00 0.00 C ATOM 0 H ILE A 72 4.685 4.455 9.106 1.00 0.00 H new ATOM 0 HA ILE A 72 3.686 6.979 9.551 1.00 0.00 H new ATOM 0 HB ILE A 72 6.125 5.551 10.530 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.927 6.343 12.336 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.467 5.208 11.082 1.00 0.00 H new ATOM 0 HG21 ILE A 72 6.374 7.304 12.236 1.00 0.00 H new ATOM 0 HG22 ILE A 72 6.676 7.920 10.594 1.00 0.00 H new ATOM 0 HG23 ILE A 72 5.135 8.278 11.409 1.00 0.00 H new ATOM 0 HD11 ILE A 72 4.255 4.013 13.101 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.350 3.709 11.731 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.816 4.862 13.004 1.00 0.00 H new ATOM 1077 N ASN A 73 6.504 7.076 7.875 1.00 0.00 N ATOM 1078 CA ASN A 73 7.328 7.927 7.034 1.00 0.00 C ATOM 1079 C ASN A 73 6.442 8.630 6.004 1.00 0.00 C ATOM 1080 O ASN A 73 6.644 9.806 5.706 1.00 0.00 O ATOM 1081 CB ASN A 73 8.373 7.105 6.276 1.00 0.00 C ATOM 1082 CG ASN A 73 9.777 7.357 6.832 1.00 0.00 C ATOM 1083 OD1 ASN A 73 10.512 8.213 6.368 1.00 0.00 O ATOM 1084 ND2 ASN A 73 10.105 6.565 7.848 1.00 0.00 N ATOM 0 H ASN A 73 6.828 6.112 7.955 1.00 0.00 H new ATOM 0 HA ASN A 73 7.833 8.649 7.676 1.00 0.00 H new ATOM 0 HB2 ASN A 73 8.132 6.045 6.353 1.00 0.00 H new ATOM 0 HB3 ASN A 73 8.346 7.362 5.217 1.00 0.00 H new ATOM 0 HD21 ASN A 73 11.021 6.654 8.289 1.00 0.00 H new ATOM 0 HD22 ASN A 73 9.441 5.869 8.187 1.00 0.00 H new ATOM 1091 N VAL A 74 5.479 7.880 5.488 1.00 0.00 N ATOM 1092 CA VAL A 74 4.562 8.417 4.498 1.00 0.00 C ATOM 1093 C VAL A 74 3.460 9.208 5.206 1.00 0.00 C ATOM 1094 O VAL A 74 3.209 10.365 4.871 1.00 0.00 O ATOM 1095 CB VAL A 74 4.017 7.287 3.621 1.00 0.00 C ATOM 1096 CG1 VAL A 74 3.101 7.836 2.526 1.00 0.00 C ATOM 1097 CG2 VAL A 74 5.157 6.461 3.021 1.00 0.00 C ATOM 0 H VAL A 74 5.314 6.905 5.737 1.00 0.00 H new ATOM 0 HA VAL A 74 5.081 9.106 3.832 1.00 0.00 H new ATOM 0 HB VAL A 74 3.423 6.628 4.254 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.728 7.013 1.917 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.261 8.360 2.983 1.00 0.00 H new ATOM 0 HG13 VAL A 74 3.661 8.528 1.896 1.00 0.00 H new ATOM 0 HG21 VAL A 74 4.743 5.665 2.402 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.790 7.104 2.409 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.752 6.025 3.824 1.00 0.00 H new ATOM 1107 N LEU A 75 2.832 8.553 6.171 1.00 0.00 N ATOM 1108 CA LEU A 75 1.763 9.181 6.928 1.00 0.00 C ATOM 1109 C LEU A 75 2.223 10.560 7.404 1.00 0.00 C ATOM 1110 O LEU A 75 1.554 11.562 7.154 1.00 0.00 O ATOM 1111 CB LEU A 75 1.299 8.263 8.061 1.00 0.00 C ATOM 1112 CG LEU A 75 0.279 7.189 7.679 1.00 0.00 C ATOM 1113 CD1 LEU A 75 0.256 6.061 8.712 1.00 0.00 C ATOM 1114 CD2 LEU A 75 -1.108 7.800 7.466 1.00 0.00 C ATOM 0 H LEU A 75 3.043 7.594 6.446 1.00 0.00 H new ATOM 0 HA LEU A 75 0.889 9.337 6.296 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.174 7.770 8.484 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.869 8.881 8.849 1.00 0.00 H new ATOM 0 HG LEU A 75 0.586 6.750 6.730 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.478 5.311 8.416 1.00 0.00 H new ATOM 0 HD12 LEU A 75 1.242 5.601 8.770 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.013 6.466 9.687 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.814 7.015 7.195 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.438 8.283 8.386 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.061 8.538 6.665 1.00 0.00 H new ATOM 1126 N LEU A 76 3.362 10.568 8.081 1.00 0.00 N ATOM 1127 CA LEU A 76 3.919 11.808 8.594 1.00 0.00 C ATOM 1128 C LEU A 76 4.105 12.795 7.440 1.00 0.00 C ATOM 1129 O LEU A 76 3.475 13.850 7.413 1.00 0.00 O ATOM 1130 CB LEU A 76 5.202 11.534 9.381 1.00 0.00 C ATOM 1131 CG LEU A 76 5.018 10.928 10.774 1.00 0.00 C ATOM 1132 CD1 LEU A 76 6.364 10.529 11.381 1.00 0.00 C ATOM 1133 CD2 LEU A 76 4.237 11.877 11.686 1.00 0.00 C ATOM 0 H LEU A 76 3.914 9.735 8.286 1.00 0.00 H new ATOM 0 HA LEU A 76 3.231 12.270 9.302 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.828 10.862 8.794 1.00 0.00 H new ATOM 0 HB3 LEU A 76 5.749 12.471 9.484 1.00 0.00 H new ATOM 0 HG LEU A 76 4.427 10.017 10.675 1.00 0.00 H new ATOM 0 HD11 LEU A 76 6.204 10.101 12.371 1.00 0.00 H new ATOM 0 HD12 LEU A 76 6.848 9.791 10.741 1.00 0.00 H new ATOM 0 HD13 LEU A 76 7.001 11.410 11.465 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.120 11.422 12.670 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.780 12.817 11.783 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.254 12.068 11.256 1.00 0.00 H new ATOM 1145 N GLU A 77 4.974 12.416 6.514 1.00 0.00 N ATOM 1146 CA GLU A 77 5.251 13.254 5.360 1.00 0.00 C ATOM 1147 C GLU A 77 5.253 14.729 5.763 1.00 0.00 C ATOM 1148 O GLU A 77 4.710 15.572 5.051 1.00 0.00 O ATOM 1149 CB GLU A 77 4.243 12.993 4.238 1.00 0.00 C ATOM 1150 CG GLU A 77 2.811 13.227 4.723 1.00 0.00 C ATOM 1151 CD GLU A 77 1.853 13.394 3.542 1.00 0.00 C ATOM 1152 OE1 GLU A 77 1.382 12.350 3.041 1.00 0.00 O ATOM 1153 OE2 GLU A 77 1.614 14.562 3.166 1.00 0.00 O ATOM 0 H GLU A 77 5.495 11.540 6.540 1.00 0.00 H new ATOM 0 HA GLU A 77 6.241 13.000 4.981 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.456 13.648 3.393 1.00 0.00 H new ATOM 0 HB3 GLU A 77 4.347 11.968 3.882 1.00 0.00 H new ATOM 0 HG2 GLU A 77 2.490 12.388 5.340 1.00 0.00 H new ATOM 0 HG3 GLU A 77 2.777 14.116 5.352 1.00 0.00 H new ATOM 1160 N GLY A 78 5.869 14.997 6.905 1.00 0.00 N ATOM 1161 CA GLY A 78 5.949 16.356 7.412 1.00 0.00 C ATOM 1162 C GLY A 78 6.972 16.460 8.545 1.00 0.00 C ATOM 1163 O GLY A 78 6.603 16.521 9.716 1.00 0.00 O ATOM 0 H GLY A 78 6.318 14.295 7.494 1.00 0.00 H new ATOM 0 HA2 GLY A 78 6.226 17.033 6.604 1.00 0.00 H new ATOM 0 HA3 GLY A 78 4.970 16.672 7.771 1.00 0.00 H new ATOM 1167 N ASN A 79 8.238 16.478 8.155 1.00 0.00 N ATOM 1168 CA ASN A 79 9.318 16.573 9.122 1.00 0.00 C ATOM 1169 C ASN A 79 10.428 17.462 8.556 1.00 0.00 C ATOM 1170 O ASN A 79 10.682 17.452 7.353 1.00 0.00 O ATOM 1171 CB ASN A 79 9.918 15.197 9.416 1.00 0.00 C ATOM 1172 CG ASN A 79 8.876 14.266 10.039 1.00 0.00 C ATOM 1173 OD1 ASN A 79 8.221 14.591 11.016 1.00 0.00 O ATOM 1174 ND2 ASN A 79 8.761 13.093 9.423 1.00 0.00 N ATOM 0 H ASN A 79 8.540 16.428 7.182 1.00 0.00 H new ATOM 0 HA ASN A 79 8.910 16.992 10.042 1.00 0.00 H new ATOM 0 HB2 ASN A 79 10.298 14.758 8.494 1.00 0.00 H new ATOM 0 HB3 ASN A 79 10.766 15.303 10.092 1.00 0.00 H new ATOM 0 HD21 ASN A 79 8.093 12.401 9.764 1.00 0.00 H new ATOM 0 HD22 ASN A 79 9.340 12.885 8.610 1.00 0.00 H new ATOM 1181 N PRO A 80 11.074 18.229 9.474 1.00 0.00 N ATOM 1182 CA PRO A 80 12.151 19.121 9.079 1.00 0.00 C ATOM 1183 C PRO A 80 13.431 18.338 8.780 1.00 0.00 C ATOM 1184 O PRO A 80 14.180 18.690 7.871 1.00 0.00 O ATOM 1185 CB PRO A 80 12.304 20.091 10.239 1.00 0.00 C ATOM 1186 CG PRO A 80 11.633 19.425 11.430 1.00 0.00 C ATOM 1187 CD PRO A 80 10.799 18.267 10.907 1.00 0.00 C ATOM 0 HA PRO A 80 11.935 19.657 8.155 1.00 0.00 H new ATOM 0 HB2 PRO A 80 13.356 20.291 10.445 1.00 0.00 H new ATOM 0 HB3 PRO A 80 11.836 21.049 10.012 1.00 0.00 H new ATOM 0 HG2 PRO A 80 12.380 19.068 12.139 1.00 0.00 H new ATOM 0 HG3 PRO A 80 11.004 20.139 11.962 1.00 0.00 H new ATOM 0 HD2 PRO A 80 11.077 17.330 11.388 1.00 0.00 H new ATOM 0 HD3 PRO A 80 9.738 18.423 11.103 1.00 0.00 H new ATOM 1195 N ASP A 81 13.642 17.291 9.564 1.00 0.00 N ATOM 1196 CA ASP A 81 14.818 16.455 9.395 1.00 0.00 C ATOM 1197 C ASP A 81 14.520 15.050 9.921 1.00 0.00 C ATOM 1198 O ASP A 81 14.694 14.065 9.205 1.00 0.00 O ATOM 1199 CB ASP A 81 16.007 17.012 10.180 1.00 0.00 C ATOM 1200 CG ASP A 81 17.334 17.029 9.420 1.00 0.00 C ATOM 1201 OD1 ASP A 81 17.513 16.129 8.571 1.00 0.00 O ATOM 1202 OD2 ASP A 81 18.140 17.941 9.704 1.00 0.00 O ATOM 0 H ASP A 81 13.018 17.003 10.318 1.00 0.00 H new ATOM 0 HA ASP A 81 15.066 16.432 8.334 1.00 0.00 H new ATOM 0 HB2 ASP A 81 15.772 18.029 10.493 1.00 0.00 H new ATOM 0 HB3 ASP A 81 16.133 16.421 11.087 1.00 0.00 H new ATOM 1207 N THR A 82 14.076 15.002 11.169 1.00 0.00 N ATOM 1208 CA THR A 82 13.752 13.734 11.799 1.00 0.00 C ATOM 1209 C THR A 82 14.986 12.830 11.845 1.00 0.00 C ATOM 1210 O THR A 82 15.849 12.908 10.972 1.00 0.00 O ATOM 1211 CB THR A 82 12.575 13.116 11.043 1.00 0.00 C ATOM 1212 OG1 THR A 82 11.435 13.804 11.552 1.00 0.00 O ATOM 1213 CG2 THR A 82 12.332 11.656 11.428 1.00 0.00 C ATOM 0 H THR A 82 13.933 15.821 11.760 1.00 0.00 H new ATOM 0 HA THR A 82 13.452 13.875 12.837 1.00 0.00 H new ATOM 0 HB THR A 82 12.759 13.182 9.971 1.00 0.00 H new ATOM 0 HG1 THR A 82 10.752 13.153 11.818 1.00 0.00 H new ATOM 0 HG21 THR A 82 11.486 11.267 10.862 1.00 0.00 H new ATOM 0 HG22 THR A 82 13.221 11.067 11.202 1.00 0.00 H new ATOM 0 HG23 THR A 82 12.116 11.592 12.494 1.00 0.00 H new ATOM 1221 N HIS A 83 15.030 11.994 12.872 1.00 0.00 N ATOM 1222 CA HIS A 83 16.144 11.076 13.042 1.00 0.00 C ATOM 1223 C HIS A 83 16.100 10.007 11.949 1.00 0.00 C ATOM 1224 O HIS A 83 15.101 9.876 11.243 1.00 0.00 O ATOM 1225 CB HIS A 83 16.147 10.483 14.452 1.00 0.00 C ATOM 1226 CG HIS A 83 17.345 10.878 15.283 1.00 0.00 C ATOM 1227 ND1 HIS A 83 17.482 12.133 15.850 1.00 0.00 N ATOM 1228 CD2 HIS A 83 18.458 10.173 15.636 1.00 0.00 C ATOM 1229 CE1 HIS A 83 18.630 12.170 16.511 1.00 0.00 C ATOM 1230 NE2 HIS A 83 19.233 10.954 16.377 1.00 0.00 N ATOM 0 H HIS A 83 14.313 11.933 13.595 1.00 0.00 H new ATOM 0 HA HIS A 83 17.085 11.616 12.935 1.00 0.00 H new ATOM 0 HB2 HIS A 83 15.240 10.797 14.969 1.00 0.00 H new ATOM 0 HB3 HIS A 83 16.112 9.396 14.378 1.00 0.00 H new ATOM 0 HD2 HIS A 83 18.672 9.151 15.359 1.00 0.00 H new ATOM 0 HE1 HIS A 83 19.020 13.015 17.060 1.00 0.00 H new ATOM 0 HE2 HIS A 83 20.132 10.689 16.780 1.00 0.00 H new ATOM 1238 N SER A 84 17.196 9.270 11.843 1.00 0.00 N ATOM 1239 CA SER A 84 17.296 8.216 10.847 1.00 0.00 C ATOM 1240 C SER A 84 17.249 6.847 11.528 1.00 0.00 C ATOM 1241 O SER A 84 17.992 6.595 12.475 1.00 0.00 O ATOM 1242 CB SER A 84 18.578 8.356 10.024 1.00 0.00 C ATOM 1243 OG SER A 84 18.496 7.654 8.786 1.00 0.00 O ATOM 0 H SER A 84 18.022 9.382 12.430 1.00 0.00 H new ATOM 0 HA SER A 84 16.449 8.306 10.167 1.00 0.00 H new ATOM 0 HB2 SER A 84 18.771 9.411 9.831 1.00 0.00 H new ATOM 0 HB3 SER A 84 19.422 7.978 10.600 1.00 0.00 H new ATOM 0 HG SER A 84 19.333 7.769 8.289 1.00 0.00 H new ATOM 1249 N TRP A 85 16.367 5.998 11.019 1.00 0.00 N ATOM 1250 CA TRP A 85 16.213 4.661 11.566 1.00 0.00 C ATOM 1251 C TRP A 85 15.678 4.793 12.994 1.00 0.00 C ATOM 1252 O TRP A 85 16.119 5.658 13.748 1.00 0.00 O ATOM 1253 CB TRP A 85 17.529 3.883 11.491 1.00 0.00 C ATOM 1254 CG TRP A 85 17.587 2.869 10.347 1.00 0.00 C ATOM 1255 CD1 TRP A 85 18.168 3.009 9.148 1.00 0.00 C ATOM 1256 CD2 TRP A 85 17.016 1.543 10.344 1.00 0.00 C ATOM 1257 NE1 TRP A 85 18.014 1.876 8.375 1.00 0.00 N ATOM 1258 CE2 TRP A 85 17.291 0.957 9.125 1.00 0.00 C ATOM 1259 CE3 TRP A 85 16.291 0.862 11.337 1.00 0.00 C ATOM 1260 CZ2 TRP A 85 16.879 -0.338 8.787 1.00 0.00 C ATOM 1261 CZ3 TRP A 85 15.885 -0.430 10.984 1.00 0.00 C ATOM 1262 CH2 TRP A 85 16.155 -1.035 9.762 1.00 0.00 C ATOM 0 H TRP A 85 15.752 6.211 10.234 1.00 0.00 H new ATOM 0 HA TRP A 85 15.499 4.084 10.978 1.00 0.00 H new ATOM 0 HB2 TRP A 85 18.351 4.590 11.379 1.00 0.00 H new ATOM 0 HB3 TRP A 85 17.685 3.360 12.435 1.00 0.00 H new ATOM 0 HD1 TRP A 85 18.691 3.897 8.827 1.00 0.00 H new ATOM 0 HE1 TRP A 85 18.366 1.739 7.428 1.00 0.00 H new ATOM 0 HE3 TRP A 85 16.065 1.301 12.297 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 17.107 -0.775 7.826 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 15.323 -0.996 11.712 1.00 0.00 H new ATOM 0 HH2 TRP A 85 15.808 -2.039 9.565 1.00 0.00 H new ATOM 1273 N GLU A 86 14.735 3.922 13.321 1.00 0.00 N ATOM 1274 CA GLU A 86 14.135 3.930 14.644 1.00 0.00 C ATOM 1275 C GLU A 86 13.326 2.651 14.868 1.00 0.00 C ATOM 1276 O GLU A 86 12.318 2.425 14.200 1.00 0.00 O ATOM 1277 CB GLU A 86 13.264 5.172 14.843 1.00 0.00 C ATOM 1278 CG GLU A 86 14.033 6.268 15.583 1.00 0.00 C ATOM 1279 CD GLU A 86 13.263 6.740 16.818 1.00 0.00 C ATOM 1280 OE1 GLU A 86 13.218 5.958 17.792 1.00 0.00 O ATOM 1281 OE2 GLU A 86 12.738 7.873 16.760 1.00 0.00 O ATOM 0 H GLU A 86 14.372 3.206 12.692 1.00 0.00 H new ATOM 0 HA GLU A 86 14.934 3.965 15.384 1.00 0.00 H new ATOM 0 HB2 GLU A 86 12.932 5.546 13.875 1.00 0.00 H new ATOM 0 HB3 GLU A 86 12.369 4.907 15.406 1.00 0.00 H new ATOM 0 HG2 GLU A 86 15.012 5.892 15.882 1.00 0.00 H new ATOM 0 HG3 GLU A 86 14.206 7.111 14.914 1.00 0.00 H new ATOM 1288 N MET A 87 13.798 1.847 15.810 1.00 0.00 N ATOM 1289 CA MET A 87 13.130 0.597 16.130 1.00 0.00 C ATOM 1290 C MET A 87 13.094 -0.332 14.914 1.00 0.00 C ATOM 1291 O MET A 87 12.544 0.024 13.873 1.00 0.00 O ATOM 1292 CB MET A 87 11.702 0.885 16.596 1.00 0.00 C ATOM 1293 CG MET A 87 11.328 0.008 17.792 1.00 0.00 C ATOM 1294 SD MET A 87 11.888 0.769 19.306 1.00 0.00 S ATOM 1295 CE MET A 87 10.655 0.152 20.439 1.00 0.00 C ATOM 0 H MET A 87 14.635 2.037 16.362 1.00 0.00 H new ATOM 0 HA MET A 87 13.687 0.102 16.925 1.00 0.00 H new ATOM 0 HB2 MET A 87 11.610 1.936 16.869 1.00 0.00 H new ATOM 0 HB3 MET A 87 11.005 0.706 15.777 1.00 0.00 H new ATOM 0 HG2 MET A 87 10.248 -0.135 17.825 1.00 0.00 H new ATOM 0 HG3 MET A 87 11.777 -0.979 17.684 1.00 0.00 H new ATOM 0 HE1 MET A 87 10.857 0.534 21.440 1.00 0.00 H new ATOM 0 HE2 MET A 87 9.667 0.482 20.117 1.00 0.00 H new ATOM 0 HE3 MET A 87 10.687 -0.937 20.453 1.00 0.00 H new ATOM 1305 N VAL A 88 13.686 -1.504 15.088 1.00 0.00 N ATOM 1306 CA VAL A 88 13.728 -2.487 14.018 1.00 0.00 C ATOM 1307 C VAL A 88 12.955 -3.735 14.448 1.00 0.00 C ATOM 1308 O VAL A 88 12.810 -4.000 15.640 1.00 0.00 O ATOM 1309 CB VAL A 88 15.179 -2.784 13.637 1.00 0.00 C ATOM 1310 CG1 VAL A 88 15.864 -3.635 14.708 1.00 0.00 C ATOM 1311 CG2 VAL A 88 15.259 -3.459 12.266 1.00 0.00 C ATOM 0 H VAL A 88 14.141 -1.795 15.953 1.00 0.00 H new ATOM 0 HA VAL A 88 13.244 -2.098 13.122 1.00 0.00 H new ATOM 0 HB VAL A 88 15.710 -1.834 13.574 1.00 0.00 H new ATOM 0 HG11 VAL A 88 16.895 -3.832 14.412 1.00 0.00 H new ATOM 0 HG12 VAL A 88 15.855 -3.101 15.658 1.00 0.00 H new ATOM 0 HG13 VAL A 88 15.331 -4.580 14.818 1.00 0.00 H new ATOM 0 HG21 VAL A 88 16.302 -3.659 12.019 1.00 0.00 H new ATOM 0 HG22 VAL A 88 14.705 -4.397 12.290 1.00 0.00 H new ATOM 0 HG23 VAL A 88 14.827 -2.802 11.511 1.00 0.00 H new ATOM 1321 N GLY A 89 12.479 -4.470 13.453 1.00 0.00 N ATOM 1322 CA GLY A 89 11.725 -5.684 13.713 1.00 0.00 C ATOM 1323 C GLY A 89 12.453 -6.911 13.158 1.00 0.00 C ATOM 1324 O GLY A 89 13.418 -6.778 12.407 1.00 0.00 O ATOM 0 H GLY A 89 12.601 -4.247 12.465 1.00 0.00 H new ATOM 0 HA2 GLY A 89 11.575 -5.800 14.786 1.00 0.00 H new ATOM 0 HA3 GLY A 89 10.737 -5.607 13.259 1.00 0.00 H new ATOM 1328 N LYS A 90 11.961 -8.077 13.549 1.00 0.00 N ATOM 1329 CA LYS A 90 12.552 -9.327 13.100 1.00 0.00 C ATOM 1330 C LYS A 90 11.615 -10.484 13.451 1.00 0.00 C ATOM 1331 O LYS A 90 11.178 -10.610 14.594 1.00 0.00 O ATOM 1332 CB LYS A 90 13.964 -9.485 13.668 1.00 0.00 C ATOM 1333 CG LYS A 90 13.926 -9.710 15.181 1.00 0.00 C ATOM 1334 CD LYS A 90 15.316 -9.540 15.796 1.00 0.00 C ATOM 1335 CE LYS A 90 15.449 -10.356 17.083 1.00 0.00 C ATOM 1336 NZ LYS A 90 15.457 -9.464 18.264 1.00 0.00 N ATOM 0 H LYS A 90 11.160 -8.183 14.172 1.00 0.00 H new ATOM 0 HA LYS A 90 12.667 -9.327 12.016 1.00 0.00 H new ATOM 0 HB2 LYS A 90 14.462 -10.325 13.184 1.00 0.00 H new ATOM 0 HB3 LYS A 90 14.551 -8.595 13.444 1.00 0.00 H new ATOM 0 HG2 LYS A 90 13.233 -9.005 15.640 1.00 0.00 H new ATOM 0 HG3 LYS A 90 13.550 -10.711 15.394 1.00 0.00 H new ATOM 0 HD2 LYS A 90 16.075 -9.856 15.081 1.00 0.00 H new ATOM 0 HD3 LYS A 90 15.497 -8.486 16.009 1.00 0.00 H new ATOM 0 HE2 LYS A 90 14.623 -11.063 17.159 1.00 0.00 H new ATOM 0 HE3 LYS A 90 16.368 -10.942 17.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 15.548 -10.034 19.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 16.260 -8.806 18.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 14.569 -8.924 18.297 1.00 0.00 H new ATOM 1350 N LYS A 91 11.334 -11.300 12.446 1.00 0.00 N ATOM 1351 CA LYS A 91 10.456 -12.443 12.634 1.00 0.00 C ATOM 1352 C LYS A 91 10.747 -13.487 11.553 1.00 0.00 C ATOM 1353 O LYS A 91 11.184 -14.595 11.857 1.00 0.00 O ATOM 1354 CB LYS A 91 8.994 -11.995 12.678 1.00 0.00 C ATOM 1355 CG LYS A 91 8.290 -12.542 13.922 1.00 0.00 C ATOM 1356 CD LYS A 91 8.191 -11.473 15.011 1.00 0.00 C ATOM 1357 CE LYS A 91 8.250 -12.102 16.404 1.00 0.00 C ATOM 1358 NZ LYS A 91 9.409 -11.577 17.160 1.00 0.00 N ATOM 0 H LYS A 91 11.698 -11.193 11.499 1.00 0.00 H new ATOM 0 HA LYS A 91 10.649 -12.917 13.596 1.00 0.00 H new ATOM 0 HB2 LYS A 91 8.943 -10.906 12.676 1.00 0.00 H new ATOM 0 HB3 LYS A 91 8.477 -12.340 11.782 1.00 0.00 H new ATOM 0 HG2 LYS A 91 7.291 -12.889 13.656 1.00 0.00 H new ATOM 0 HG3 LYS A 91 8.836 -13.405 14.303 1.00 0.00 H new ATOM 0 HD2 LYS A 91 9.004 -10.756 14.897 1.00 0.00 H new ATOM 0 HD3 LYS A 91 7.259 -10.919 14.898 1.00 0.00 H new ATOM 0 HE2 LYS A 91 7.328 -11.889 16.945 1.00 0.00 H new ATOM 0 HE3 LYS A 91 8.325 -13.186 16.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 9.747 -12.302 17.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 10.173 -11.332 16.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 9.123 -10.728 17.689 1.00 0.00 H new ATOM 1372 N LYS A 92 10.492 -13.095 10.313 1.00 0.00 N ATOM 1373 CA LYS A 92 10.721 -13.983 9.186 1.00 0.00 C ATOM 1374 C LYS A 92 11.469 -13.224 8.089 1.00 0.00 C ATOM 1375 O LYS A 92 11.192 -12.051 7.840 1.00 0.00 O ATOM 1376 CB LYS A 92 9.403 -14.602 8.716 1.00 0.00 C ATOM 1377 CG LYS A 92 9.549 -16.111 8.511 1.00 0.00 C ATOM 1378 CD LYS A 92 8.688 -16.592 7.341 1.00 0.00 C ATOM 1379 CE LYS A 92 7.686 -17.654 7.797 1.00 0.00 C ATOM 1380 NZ LYS A 92 7.641 -18.773 6.830 1.00 0.00 N ATOM 0 H LYS A 92 10.129 -12.175 10.064 1.00 0.00 H new ATOM 0 HA LYS A 92 11.352 -14.821 9.482 1.00 0.00 H new ATOM 0 HB2 LYS A 92 8.622 -14.405 9.451 1.00 0.00 H new ATOM 0 HB3 LYS A 92 9.089 -14.133 7.783 1.00 0.00 H new ATOM 0 HG2 LYS A 92 10.594 -16.356 8.323 1.00 0.00 H new ATOM 0 HG3 LYS A 92 9.257 -16.635 9.421 1.00 0.00 H new ATOM 0 HD2 LYS A 92 8.155 -15.747 6.906 1.00 0.00 H new ATOM 0 HD3 LYS A 92 9.327 -17.002 6.559 1.00 0.00 H new ATOM 0 HE2 LYS A 92 7.966 -18.028 8.782 1.00 0.00 H new ATOM 0 HE3 LYS A 92 6.695 -17.210 7.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 6.956 -19.485 7.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 7.352 -18.415 5.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 8.583 -19.207 6.757 1.00 0.00 H new ATOM 1394 N GLY A 93 12.404 -13.923 7.462 1.00 0.00 N ATOM 1395 CA GLY A 93 13.194 -13.330 6.397 1.00 0.00 C ATOM 1396 C GLY A 93 12.307 -12.911 5.223 1.00 0.00 C ATOM 1397 O GLY A 93 11.150 -13.319 5.138 1.00 0.00 O ATOM 0 H GLY A 93 12.632 -14.895 7.672 1.00 0.00 H new ATOM 0 HA2 GLY A 93 13.732 -12.462 6.779 1.00 0.00 H new ATOM 0 HA3 GLY A 93 13.943 -14.044 6.055 1.00 0.00 H new ATOM 1401 N VAL A 94 12.883 -12.101 4.347 1.00 0.00 N ATOM 1402 CA VAL A 94 12.158 -11.622 3.182 1.00 0.00 C ATOM 1403 C VAL A 94 13.154 -11.076 2.156 1.00 0.00 C ATOM 1404 O VAL A 94 14.250 -10.649 2.516 1.00 0.00 O ATOM 1405 CB VAL A 94 11.110 -10.590 3.605 1.00 0.00 C ATOM 1406 CG1 VAL A 94 11.775 -9.305 4.102 1.00 0.00 C ATOM 1407 CG2 VAL A 94 10.137 -10.297 2.462 1.00 0.00 C ATOM 0 H VAL A 94 13.843 -11.764 4.420 1.00 0.00 H new ATOM 0 HA VAL A 94 11.616 -12.440 2.707 1.00 0.00 H new ATOM 0 HB VAL A 94 10.539 -11.012 4.431 1.00 0.00 H new ATOM 0 HG11 VAL A 94 11.008 -8.589 4.396 1.00 0.00 H new ATOM 0 HG12 VAL A 94 12.408 -9.531 4.960 1.00 0.00 H new ATOM 0 HG13 VAL A 94 12.383 -8.878 3.305 1.00 0.00 H new ATOM 0 HG21 VAL A 94 9.403 -9.561 2.789 1.00 0.00 H new ATOM 0 HG22 VAL A 94 10.688 -9.905 1.607 1.00 0.00 H new ATOM 0 HG23 VAL A 94 9.626 -11.216 2.174 1.00 0.00 H new ATOM 1417 N SER A 95 12.737 -11.108 0.899 1.00 0.00 N ATOM 1418 CA SER A 95 13.579 -10.623 -0.181 1.00 0.00 C ATOM 1419 C SER A 95 12.724 -9.908 -1.230 1.00 0.00 C ATOM 1420 O SER A 95 11.708 -10.441 -1.676 1.00 0.00 O ATOM 1421 CB SER A 95 14.363 -11.767 -0.826 1.00 0.00 C ATOM 1422 OG SER A 95 13.568 -12.505 -1.750 1.00 0.00 O ATOM 0 H SER A 95 11.827 -11.462 0.604 1.00 0.00 H new ATOM 0 HA SER A 95 14.297 -9.917 0.237 1.00 0.00 H new ATOM 0 HB2 SER A 95 15.236 -11.364 -1.340 1.00 0.00 H new ATOM 0 HB3 SER A 95 14.732 -12.437 -0.049 1.00 0.00 H new ATOM 0 HG SER A 95 14.105 -13.225 -2.141 1.00 0.00 H new ATOM 1428 N GLY A 96 13.166 -8.713 -1.593 1.00 0.00 N ATOM 1429 CA GLY A 96 12.454 -7.921 -2.581 1.00 0.00 C ATOM 1430 C GLY A 96 13.308 -7.708 -3.833 1.00 0.00 C ATOM 1431 O GLY A 96 14.461 -8.134 -3.881 1.00 0.00 O ATOM 0 H GLY A 96 14.008 -8.274 -1.221 1.00 0.00 H new ATOM 0 HA2 GLY A 96 11.524 -8.421 -2.852 1.00 0.00 H new ATOM 0 HA3 GLY A 96 12.184 -6.956 -2.152 1.00 0.00 H new ATOM 1435 N GLN A 97 12.709 -7.051 -4.815 1.00 0.00 N ATOM 1436 CA GLN A 97 13.400 -6.777 -6.063 1.00 0.00 C ATOM 1437 C GLN A 97 12.694 -5.654 -6.825 1.00 0.00 C ATOM 1438 O GLN A 97 11.878 -5.915 -7.708 1.00 0.00 O ATOM 1439 CB GLN A 97 13.505 -8.040 -6.920 1.00 0.00 C ATOM 1440 CG GLN A 97 14.810 -8.787 -6.639 1.00 0.00 C ATOM 1441 CD GLN A 97 15.645 -8.931 -7.913 1.00 0.00 C ATOM 1442 OE1 GLN A 97 15.163 -9.334 -8.959 1.00 0.00 O ATOM 1443 NE2 GLN A 97 16.919 -8.580 -7.767 1.00 0.00 N ATOM 0 H GLN A 97 11.752 -6.700 -4.772 1.00 0.00 H new ATOM 0 HA GLN A 97 14.414 -6.450 -5.831 1.00 0.00 H new ATOM 0 HB2 GLN A 97 12.657 -8.693 -6.716 1.00 0.00 H new ATOM 0 HB3 GLN A 97 13.455 -7.773 -7.976 1.00 0.00 H new ATOM 0 HG2 GLN A 97 15.384 -8.252 -5.882 1.00 0.00 H new ATOM 0 HG3 GLN A 97 14.588 -9.774 -6.232 1.00 0.00 H new ATOM 0 HE21 GLN A 97 17.257 -8.251 -6.863 1.00 0.00 H new ATOM 0 HE22 GLN A 97 17.559 -8.640 -8.559 1.00 0.00 H new ATOM 1452 N LYS A 98 13.033 -4.427 -6.456 1.00 0.00 N ATOM 1453 CA LYS A 98 12.442 -3.263 -7.095 1.00 0.00 C ATOM 1454 C LYS A 98 13.259 -2.020 -6.736 1.00 0.00 C ATOM 1455 O LYS A 98 13.650 -1.842 -5.583 1.00 0.00 O ATOM 1456 CB LYS A 98 10.960 -3.150 -6.734 1.00 0.00 C ATOM 1457 CG LYS A 98 10.127 -2.752 -7.955 1.00 0.00 C ATOM 1458 CD LYS A 98 8.907 -1.928 -7.542 1.00 0.00 C ATOM 1459 CE LYS A 98 8.948 -0.534 -8.171 1.00 0.00 C ATOM 1460 NZ LYS A 98 8.722 -0.618 -9.631 1.00 0.00 N ATOM 0 H LYS A 98 13.709 -4.214 -5.723 1.00 0.00 H new ATOM 0 HA LYS A 98 12.476 -3.365 -8.180 1.00 0.00 H new ATOM 0 HB2 LYS A 98 10.604 -4.102 -6.341 1.00 0.00 H new ATOM 0 HB3 LYS A 98 10.830 -2.411 -5.944 1.00 0.00 H new ATOM 0 HG2 LYS A 98 10.742 -2.176 -8.647 1.00 0.00 H new ATOM 0 HG3 LYS A 98 9.803 -3.647 -8.486 1.00 0.00 H new ATOM 0 HD2 LYS A 98 7.996 -2.442 -7.848 1.00 0.00 H new ATOM 0 HD3 LYS A 98 8.874 -1.840 -6.456 1.00 0.00 H new ATOM 0 HE2 LYS A 98 8.187 0.100 -7.715 1.00 0.00 H new ATOM 0 HE3 LYS A 98 9.913 -0.067 -7.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 8.601 0.339 -10.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 9.540 -1.074 -10.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 7.866 -1.178 -9.818 1.00 0.00 H new ATOM 1474 N SER A 99 13.493 -1.194 -7.744 1.00 0.00 N ATOM 1475 CA SER A 99 14.256 0.027 -7.549 1.00 0.00 C ATOM 1476 C SER A 99 13.538 1.205 -8.212 1.00 0.00 C ATOM 1477 O SER A 99 12.654 1.008 -9.044 1.00 0.00 O ATOM 1478 CB SER A 99 15.673 -0.113 -8.110 1.00 0.00 C ATOM 1479 OG SER A 99 16.553 -0.747 -7.185 1.00 0.00 O ATOM 0 H SER A 99 13.168 -1.346 -8.699 1.00 0.00 H new ATOM 0 HA SER A 99 14.334 0.213 -6.478 1.00 0.00 H new ATOM 0 HB2 SER A 99 15.642 -0.690 -9.034 1.00 0.00 H new ATOM 0 HB3 SER A 99 16.062 0.873 -8.363 1.00 0.00 H new ATOM 0 HG SER A 99 17.447 -0.819 -7.581 1.00 0.00 H new ATOM 1485 N GLY A 100 13.944 2.402 -7.816 1.00 0.00 N ATOM 1486 CA GLY A 100 13.350 3.611 -8.361 1.00 0.00 C ATOM 1487 C GLY A 100 14.417 4.678 -8.619 1.00 0.00 C ATOM 1488 O GLY A 100 14.685 5.514 -7.757 1.00 0.00 O ATOM 0 H GLY A 100 14.677 2.561 -7.124 1.00 0.00 H new ATOM 0 HA2 GLY A 100 12.831 3.378 -9.291 1.00 0.00 H new ATOM 0 HA3 GLY A 100 12.603 3.998 -7.668 1.00 0.00 H new ATOM 1492 N PRO A 101 15.011 4.613 -9.840 1.00 0.00 N ATOM 1493 CA PRO A 101 16.042 5.562 -10.223 1.00 0.00 C ATOM 1494 C PRO A 101 15.435 6.928 -10.553 1.00 0.00 C ATOM 1495 O PRO A 101 14.215 7.084 -10.557 1.00 0.00 O ATOM 1496 CB PRO A 101 16.746 4.923 -11.409 1.00 0.00 C ATOM 1497 CG PRO A 101 15.793 3.864 -11.937 1.00 0.00 C ATOM 1498 CD PRO A 101 14.719 3.637 -10.886 1.00 0.00 C ATOM 0 HA PRO A 101 16.749 5.761 -9.418 1.00 0.00 H new ATOM 0 HB2 PRO A 101 16.970 5.664 -12.176 1.00 0.00 H new ATOM 0 HB3 PRO A 101 17.695 4.479 -11.107 1.00 0.00 H new ATOM 0 HG2 PRO A 101 15.345 4.188 -12.876 1.00 0.00 H new ATOM 0 HG3 PRO A 101 16.328 2.937 -12.142 1.00 0.00 H new ATOM 0 HD2 PRO A 101 13.722 3.787 -11.300 1.00 0.00 H new ATOM 0 HD3 PRO A 101 14.753 2.619 -10.498 1.00 0.00 H new ATOM 1506 N SER A 102 16.315 7.881 -10.822 1.00 0.00 N ATOM 1507 CA SER A 102 15.881 9.228 -11.152 1.00 0.00 C ATOM 1508 C SER A 102 17.029 10.003 -11.801 1.00 0.00 C ATOM 1509 O SER A 102 18.149 9.502 -11.890 1.00 0.00 O ATOM 1510 CB SER A 102 15.378 9.965 -9.909 1.00 0.00 C ATOM 1511 OG SER A 102 13.956 10.046 -9.875 1.00 0.00 O ATOM 0 H SER A 102 17.326 7.747 -10.818 1.00 0.00 H new ATOM 0 HA SER A 102 15.054 9.158 -11.858 1.00 0.00 H new ATOM 0 HB2 SER A 102 15.733 9.452 -9.015 1.00 0.00 H new ATOM 0 HB3 SER A 102 15.799 10.970 -9.889 1.00 0.00 H new ATOM 0 HG SER A 102 13.573 9.166 -10.074 1.00 0.00 H new ATOM 1517 N SER A 103 16.711 11.213 -12.238 1.00 0.00 N ATOM 1518 CA SER A 103 17.702 12.063 -12.876 1.00 0.00 C ATOM 1519 C SER A 103 17.331 13.534 -12.686 1.00 0.00 C ATOM 1520 O SER A 103 16.152 13.873 -12.583 1.00 0.00 O ATOM 1521 CB SER A 103 17.830 11.736 -14.366 1.00 0.00 C ATOM 1522 OG SER A 103 16.742 12.261 -15.123 1.00 0.00 O ATOM 0 H SER A 103 15.781 11.625 -12.163 1.00 0.00 H new ATOM 0 HA SER A 103 18.667 11.875 -12.405 1.00 0.00 H new ATOM 0 HB2 SER A 103 18.767 12.143 -14.747 1.00 0.00 H new ATOM 0 HB3 SER A 103 17.875 10.655 -14.497 1.00 0.00 H new ATOM 0 HG SER A 103 16.861 12.033 -16.069 1.00 0.00 H new ATOM 1528 N GLY A 104 18.358 14.370 -12.643 1.00 0.00 N ATOM 1529 CA GLY A 104 18.154 15.798 -12.466 1.00 0.00 C ATOM 1530 C GLY A 104 18.420 16.555 -13.769 1.00 0.00 C ATOM 1531 O GLY A 104 17.485 16.941 -14.469 1.00 0.00 O ATOM 0 H GLY A 104 19.334 14.086 -12.728 1.00 0.00 H new ATOM 0 HA2 GLY A 104 17.133 15.985 -12.135 1.00 0.00 H new ATOM 0 HA3 GLY A 104 18.816 16.169 -11.684 1.00 0.00 H new TER 1535 GLY A 104