USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 565 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 52 GLN : amide:sc= 0.0805 X(o=0.31,f=-0.18) USER MOD Set 1.2: A 55 GLN : amide:sc= 0.234 X(o=0.31,f=-0.14) USER MOD Set 2.1: A 46 TYR OH : rot 47:sc= 0.0264 USER MOD Set 2.2: A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 40 GLN : amide:sc= -0.714 K(o=-0.57,f=-1.2) USER MOD Set 3.2: A 44 GLN : amide:sc= 0.149 K(o=-0.57,f=-1.2) USER MOD Set 4.1: A 22 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 26 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Set 5.1: A 15 THR OG1 : rot -170:sc=-0.00298 USER MOD Set 5.2: A 42 GLN : amide:sc= 0 K(o=-0.003,f=-0.85) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -157:sc= 1.05 (180deg=0.557) USER MOD Single : A 2 GLN : amide:sc= -0.14 K(o=-0.14,f=-1.9!) USER MOD Single : A 3 GLN : amide:sc= 0.776 K(o=0.78,f=-5.7!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0.0542 X(o=0.054,f=0) USER MOD Single : A 6 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.0107 K(o=-0.011,f=-1.1) USER MOD Single : A 13 SER OG : rot 63:sc= 0.981 USER MOD Single : A 14 GLN : amide:sc=-0.000127 X(o=-0.00013,f=0) USER MOD Single : A 18 GLN : amide:sc=-0.00632 X(o=-0.0063,f=-0.021) USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 21 GLN : amide:sc= 0.495 X(o=0.5,f=0) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.0797 X(o=-0.08,f=-0.2) USER MOD Single : A 34 GLN : amide:sc= 0.582 K(o=0.58,f=-0.47) USER MOD Single : A 35 GLN : amide:sc= -0.0459 X(o=-0.046,f=-0.1) USER MOD Single : A 45 HIS :FLIP no HE2:sc= 0.1 F(o=-0.65,f=0.1) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.093) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.0026) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 GLN :FLIP amide:sc= 0 F(o=-0.92,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 69 GLN : amide:sc= -0.23 X(o=-0.23,f=-0.23) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.626 -7.770 -3.324 1.00 25.00 N ATOM 2 CA MET A 1 7.500 -6.614 -3.083 1.00 25.00 C ATOM 3 C MET A 1 7.499 -5.612 -4.221 1.00 25.00 C ATOM 4 O MET A 1 6.979 -5.878 -5.279 1.00 25.00 O ATOM 5 CB MET A 1 8.938 -7.087 -2.732 1.00 25.00 C ATOM 6 CG MET A 1 9.791 -7.449 -3.977 1.00 25.00 C ATOM 7 SD MET A 1 9.100 -8.825 -4.948 1.00 25.00 S ATOM 8 CE MET A 1 10.225 -8.794 -6.387 1.00 25.00 C ATOM 0 H1 MET A 1 6.360 -8.200 -2.415 1.00 25.00 H new ATOM 0 H2 MET A 1 5.769 -7.459 -3.824 1.00 25.00 H new ATOM 0 H3 MET A 1 7.130 -8.471 -3.904 1.00 25.00 H new ATOM 0 HA MET A 1 7.090 -6.079 -2.227 1.00 25.00 H new ATOM 0 HB2 MET A 1 9.444 -6.301 -2.171 1.00 25.00 H new ATOM 0 HB3 MET A 1 8.877 -7.957 -2.078 1.00 25.00 H new ATOM 0 HG2 MET A 1 9.879 -6.571 -4.616 1.00 25.00 H new ATOM 0 HG3 MET A 1 10.799 -7.711 -3.655 1.00 25.00 H new ATOM 0 HE1 MET A 1 9.941 -9.580 -7.087 1.00 25.00 H new ATOM 0 HE2 MET A 1 10.157 -7.825 -6.881 1.00 25.00 H new ATOM 0 HE3 MET A 1 11.249 -8.959 -6.052 1.00 25.00 H new ATOM 19 N GLN A 2 8.060 -4.412 -3.983 1.00 25.00 N ATOM 20 CA GLN A 2 8.102 -3.337 -4.973 1.00 25.00 C ATOM 21 C GLN A 2 6.696 -3.092 -5.550 1.00 25.00 C ATOM 22 O GLN A 2 6.504 -2.955 -6.749 1.00 25.00 O ATOM 23 CB GLN A 2 9.127 -3.687 -6.078 1.00 25.00 C ATOM 24 CG GLN A 2 9.633 -2.491 -6.913 1.00 25.00 C ATOM 25 CD GLN A 2 10.618 -1.602 -6.179 1.00 25.00 C ATOM 26 OE1 GLN A 2 10.278 -0.968 -5.195 1.00 25.00 O ATOM 27 NE2 GLN A 2 11.846 -1.521 -6.666 1.00 25.00 N ATOM 0 H GLN A 2 8.496 -4.167 -3.094 1.00 25.00 H new ATOM 0 HA GLN A 2 8.425 -2.411 -4.498 1.00 25.00 H new ATOM 0 HB2 GLN A 2 9.985 -4.173 -5.614 1.00 25.00 H new ATOM 0 HB3 GLN A 2 8.675 -4.414 -6.752 1.00 25.00 H new ATOM 0 HG2 GLN A 2 10.105 -2.868 -7.820 1.00 25.00 H new ATOM 0 HG3 GLN A 2 8.778 -1.890 -7.224 1.00 25.00 H new ATOM 0 HE21 GLN A 2 12.104 -2.063 -7.491 1.00 25.00 H new ATOM 0 HE22 GLN A 2 12.534 -0.917 -6.216 1.00 25.00 H new ATOM 36 N GLN A 3 5.702 -3.012 -4.672 1.00 25.00 N ATOM 37 CA GLN A 3 4.321 -2.748 -5.058 1.00 25.00 C ATOM 38 C GLN A 3 4.106 -1.346 -5.626 1.00 25.00 C ATOM 39 O GLN A 3 3.007 -0.952 -5.956 1.00 25.00 O ATOM 40 CB GLN A 3 3.396 -2.959 -3.865 1.00 25.00 C ATOM 41 CG GLN A 3 3.383 -4.381 -3.309 1.00 25.00 C ATOM 42 CD GLN A 3 4.267 -4.506 -2.080 1.00 25.00 C ATOM 43 OE1 GLN A 3 5.423 -4.030 -2.068 1.00 25.00 O ATOM 44 NE2 GLN A 3 3.765 -5.144 -1.063 1.00 25.00 N ATOM 0 H GLN A 3 5.833 -3.129 -3.667 1.00 25.00 H new ATOM 0 HA GLN A 3 4.086 -3.453 -5.855 1.00 25.00 H new ATOM 0 HB2 GLN A 3 3.691 -2.275 -3.069 1.00 25.00 H new ATOM 0 HB3 GLN A 3 2.381 -2.689 -4.158 1.00 25.00 H new ATOM 0 HG2 GLN A 3 2.362 -4.664 -3.054 1.00 25.00 H new ATOM 0 HG3 GLN A 3 3.724 -5.076 -4.076 1.00 25.00 H new ATOM 0 HE21 GLN A 3 2.817 -5.517 -1.113 1.00 25.00 H new ATOM 0 HE22 GLN A 3 4.319 -5.271 -0.216 1.00 25.00 H new ATOM 53 N LYS A 4 5.220 -0.616 -5.819 1.00 25.00 N ATOM 54 CA LYS A 4 5.200 0.661 -6.507 1.00 25.00 C ATOM 55 C LYS A 4 4.508 0.530 -7.860 1.00 25.00 C ATOM 56 O LYS A 4 3.787 1.419 -8.303 1.00 25.00 O ATOM 57 CB LYS A 4 6.655 1.104 -6.724 1.00 25.00 C ATOM 58 CG LYS A 4 7.396 1.399 -5.438 1.00 25.00 C ATOM 59 CD LYS A 4 8.835 1.850 -5.694 1.00 25.00 C ATOM 60 CE LYS A 4 8.906 3.300 -6.157 1.00 25.00 C ATOM 61 NZ LYS A 4 10.338 3.724 -6.303 1.00 25.00 N ATOM 0 H LYS A 4 6.145 -0.903 -5.500 1.00 25.00 H new ATOM 0 HA LYS A 4 4.654 1.391 -5.910 1.00 25.00 H new ATOM 0 HB2 LYS A 4 7.186 0.324 -7.269 1.00 25.00 H new ATOM 0 HB3 LYS A 4 6.665 1.995 -7.352 1.00 25.00 H new ATOM 0 HG2 LYS A 4 6.866 2.175 -4.885 1.00 25.00 H new ATOM 0 HG3 LYS A 4 7.402 0.508 -4.811 1.00 25.00 H new ATOM 0 HD2 LYS A 4 9.419 1.732 -4.782 1.00 25.00 H new ATOM 0 HD3 LYS A 4 9.288 1.206 -6.448 1.00 25.00 H new ATOM 0 HE2 LYS A 4 8.386 3.412 -7.109 1.00 25.00 H new ATOM 0 HE3 LYS A 4 8.399 3.945 -5.439 1.00 25.00 H new ATOM 0 HZ1 LYS A 4 10.376 4.714 -6.619 1.00 25.00 H new ATOM 0 HZ2 LYS A 4 10.822 3.634 -5.387 1.00 25.00 H new ATOM 0 HZ3 LYS A 4 10.810 3.118 -7.005 1.00 25.00 H new ATOM 75 N GLN A 5 4.705 -0.598 -8.514 1.00 25.00 N ATOM 76 CA GLN A 5 4.129 -0.869 -9.830 1.00 25.00 C ATOM 77 C GLN A 5 2.598 -0.990 -9.802 1.00 25.00 C ATOM 78 O GLN A 5 1.929 -0.720 -10.806 1.00 25.00 O ATOM 79 CB GLN A 5 4.773 -2.127 -10.424 1.00 25.00 C ATOM 80 CG GLN A 5 4.546 -3.425 -9.635 1.00 25.00 C ATOM 81 CD GLN A 5 5.474 -4.540 -10.105 1.00 25.00 C ATOM 82 OE1 GLN A 5 5.430 -4.962 -11.243 1.00 25.00 O ATOM 83 NE2 GLN A 5 6.310 -4.994 -9.239 1.00 25.00 N ATOM 0 H GLN A 5 5.273 -1.363 -8.150 1.00 25.00 H new ATOM 0 HA GLN A 5 4.348 -0.012 -10.467 1.00 25.00 H new ATOM 0 HB2 GLN A 5 4.391 -2.266 -11.435 1.00 25.00 H new ATOM 0 HB3 GLN A 5 5.846 -1.958 -10.510 1.00 25.00 H new ATOM 0 HG2 GLN A 5 4.709 -3.239 -8.573 1.00 25.00 H new ATOM 0 HG3 GLN A 5 3.509 -3.743 -9.747 1.00 25.00 H new ATOM 0 HE21 GLN A 5 6.319 -4.616 -8.292 1.00 25.00 H new ATOM 0 HE22 GLN A 5 6.964 -5.732 -9.500 1.00 25.00 H new ATOM 92 N GLN A 6 2.002 -1.322 -8.652 1.00 25.00 N ATOM 93 CA GLN A 6 0.541 -1.356 -8.542 1.00 25.00 C ATOM 94 C GLN A 6 -0.016 0.052 -8.558 1.00 25.00 C ATOM 95 O GLN A 6 -1.041 0.321 -9.159 1.00 25.00 O ATOM 96 CB GLN A 6 0.114 -2.033 -7.224 1.00 25.00 C ATOM 97 CG GLN A 6 0.442 -3.503 -7.148 1.00 25.00 C ATOM 98 CD GLN A 6 -0.110 -4.157 -5.892 1.00 25.00 C ATOM 99 OE1 GLN A 6 0.062 -3.649 -4.787 1.00 25.00 O ATOM 100 NE2 GLN A 6 -0.730 -5.287 -6.038 1.00 25.00 N ATOM 0 H GLN A 6 2.500 -1.567 -7.796 1.00 25.00 H new ATOM 0 HA GLN A 6 0.153 -1.922 -9.389 1.00 25.00 H new ATOM 0 HB2 GLN A 6 0.598 -1.521 -6.392 1.00 25.00 H new ATOM 0 HB3 GLN A 6 -0.961 -1.905 -7.095 1.00 25.00 H new ATOM 0 HG2 GLN A 6 0.037 -4.008 -8.025 1.00 25.00 H new ATOM 0 HG3 GLN A 6 1.524 -3.633 -7.176 1.00 25.00 H new ATOM 0 HE21 GLN A 6 -0.857 -5.683 -6.970 1.00 25.00 H new ATOM 0 HE22 GLN A 6 -1.091 -5.780 -5.221 1.00 25.00 H new ATOM 109 N ILE A 7 0.721 0.972 -7.928 1.00 25.00 N ATOM 110 CA ILE A 7 0.350 2.376 -7.878 1.00 25.00 C ATOM 111 C ILE A 7 0.460 2.951 -9.276 1.00 25.00 C ATOM 112 O ILE A 7 -0.399 3.704 -9.729 1.00 25.00 O ATOM 113 CB ILE A 7 1.282 3.147 -6.922 1.00 25.00 C ATOM 114 CG1 ILE A 7 1.300 2.480 -5.529 1.00 25.00 C ATOM 115 CG2 ILE A 7 0.849 4.603 -6.811 1.00 25.00 C ATOM 116 CD1 ILE A 7 2.456 2.931 -4.623 1.00 25.00 C ATOM 0 H ILE A 7 1.591 0.757 -7.440 1.00 25.00 H new ATOM 0 HA ILE A 7 -0.671 2.471 -7.509 1.00 25.00 H new ATOM 0 HB ILE A 7 2.292 3.119 -7.330 1.00 25.00 H new ATOM 0 HG12 ILE A 7 0.357 2.692 -5.026 1.00 25.00 H new ATOM 0 HG13 ILE A 7 1.356 1.399 -5.658 1.00 25.00 H new ATOM 0 HG21 ILE A 7 1.519 5.131 -6.132 1.00 25.00 H new ATOM 0 HG22 ILE A 7 0.888 5.070 -7.795 1.00 25.00 H new ATOM 0 HG23 ILE A 7 -0.170 4.651 -6.426 1.00 25.00 H new ATOM 0 HD11 ILE A 7 2.391 2.413 -3.666 1.00 25.00 H new ATOM 0 HD12 ILE A 7 3.407 2.694 -5.101 1.00 25.00 H new ATOM 0 HD13 ILE A 7 2.391 4.007 -4.459 1.00 25.00 H new ATOM 128 N MET A 8 1.491 2.540 -9.989 1.00 25.00 N ATOM 129 CA MET A 8 1.661 2.983 -11.370 1.00 25.00 C ATOM 130 C MET A 8 0.529 2.509 -12.273 1.00 25.00 C ATOM 131 O MET A 8 0.057 3.250 -13.099 1.00 25.00 O ATOM 132 CB MET A 8 3.002 2.493 -11.957 1.00 25.00 C ATOM 133 CG MET A 8 4.222 3.078 -11.279 1.00 25.00 C ATOM 134 SD MET A 8 5.784 2.683 -12.108 1.00 25.00 S ATOM 135 CE MET A 8 5.841 4.011 -13.417 1.00 25.00 C ATOM 0 H MET A 8 2.216 1.910 -9.647 1.00 25.00 H new ATOM 0 HA MET A 8 1.650 4.072 -11.338 1.00 25.00 H new ATOM 0 HB2 MET A 8 3.044 1.406 -11.882 1.00 25.00 H new ATOM 0 HB3 MET A 8 3.035 2.741 -13.018 1.00 25.00 H new ATOM 0 HG2 MET A 8 4.113 4.161 -11.228 1.00 25.00 H new ATOM 0 HG3 MET A 8 4.265 2.714 -10.253 1.00 25.00 H new ATOM 0 HE1 MET A 8 6.749 3.899 -14.010 1.00 25.00 H new ATOM 0 HE2 MET A 8 4.970 3.920 -14.066 1.00 25.00 H new ATOM 0 HE3 MET A 8 5.838 4.992 -12.941 1.00 25.00 H new ATOM 145 N ALA A 9 0.094 1.262 -12.129 1.00 25.00 N ATOM 146 CA ALA A 9 -0.986 0.749 -12.973 1.00 25.00 C ATOM 147 C ALA A 9 -2.273 1.582 -12.777 1.00 25.00 C ATOM 148 O ALA A 9 -2.990 1.915 -13.732 1.00 25.00 O ATOM 149 CB ALA A 9 -1.230 -0.730 -12.675 1.00 25.00 C ATOM 0 H ALA A 9 0.462 0.596 -11.450 1.00 25.00 H new ATOM 0 HA ALA A 9 -0.690 0.840 -14.018 1.00 25.00 H new ATOM 0 HB1 ALA A 9 -2.036 -1.101 -13.309 1.00 25.00 H new ATOM 0 HB2 ALA A 9 -0.321 -1.296 -12.876 1.00 25.00 H new ATOM 0 HB3 ALA A 9 -1.508 -0.849 -11.628 1.00 25.00 H new ATOM 155 N ALA A 10 -2.537 1.928 -11.526 1.00 25.00 N ATOM 156 CA ALA A 10 -3.719 2.700 -11.175 1.00 25.00 C ATOM 157 C ALA A 10 -3.620 4.112 -11.744 1.00 25.00 C ATOM 158 O ALA A 10 -4.565 4.618 -12.351 1.00 25.00 O ATOM 159 CB ALA A 10 -3.884 2.749 -9.649 1.00 25.00 C ATOM 0 H ALA A 10 -1.944 1.684 -10.733 1.00 25.00 H new ATOM 0 HA ALA A 10 -4.594 2.215 -11.606 1.00 25.00 H new ATOM 0 HB1 ALA A 10 -4.772 3.329 -9.397 1.00 25.00 H new ATOM 0 HB2 ALA A 10 -3.991 1.736 -9.262 1.00 25.00 H new ATOM 0 HB3 ALA A 10 -3.006 3.217 -9.203 1.00 25.00 H new ATOM 165 N LEU A 11 -2.484 4.773 -11.572 1.00 25.00 N ATOM 166 CA LEU A 11 -2.274 6.138 -12.074 1.00 25.00 C ATOM 167 C LEU A 11 -2.328 6.188 -13.594 1.00 25.00 C ATOM 168 O LEU A 11 -2.907 7.120 -14.175 1.00 25.00 O ATOM 169 CB LEU A 11 -0.927 6.690 -11.598 1.00 25.00 C ATOM 170 CG LEU A 11 -0.817 7.072 -10.089 1.00 25.00 C ATOM 171 CD1 LEU A 11 0.637 7.405 -9.770 1.00 25.00 C ATOM 172 CD2 LEU A 11 -1.706 8.252 -9.724 1.00 25.00 C ATOM 0 H LEU A 11 -1.678 4.385 -11.082 1.00 25.00 H new ATOM 0 HA LEU A 11 -3.080 6.754 -11.676 1.00 25.00 H new ATOM 0 HB2 LEU A 11 -0.159 5.948 -11.818 1.00 25.00 H new ATOM 0 HB3 LEU A 11 -0.694 7.575 -12.190 1.00 25.00 H new ATOM 0 HG LEU A 11 -1.157 6.220 -9.500 1.00 25.00 H new ATOM 0 HD11 LEU A 11 0.726 7.674 -8.717 1.00 25.00 H new ATOM 0 HD12 LEU A 11 1.263 6.537 -9.977 1.00 25.00 H new ATOM 0 HD13 LEU A 11 0.962 8.243 -10.387 1.00 25.00 H new ATOM 0 HD21 LEU A 11 -1.593 8.478 -8.664 1.00 25.00 H new ATOM 0 HD22 LEU A 11 -1.416 9.122 -10.313 1.00 25.00 H new ATOM 0 HD23 LEU A 11 -2.746 8.002 -9.933 1.00 25.00 H new ATOM 184 N ASN A 12 -1.752 5.183 -14.232 1.00 25.00 N ATOM 185 CA ASN A 12 -1.739 5.107 -15.699 1.00 25.00 C ATOM 186 C ASN A 12 -3.158 4.965 -16.251 1.00 25.00 C ATOM 187 O ASN A 12 -3.442 5.435 -17.353 1.00 25.00 O ATOM 188 CB ASN A 12 -0.890 3.925 -16.178 1.00 25.00 C ATOM 189 CG ASN A 12 0.590 4.141 -15.985 1.00 25.00 C ATOM 190 OD1 ASN A 12 1.017 5.133 -15.433 1.00 25.00 O ATOM 191 ND2 ASN A 12 1.383 3.221 -16.474 1.00 25.00 N ATOM 0 H ASN A 12 -1.285 4.405 -13.766 1.00 25.00 H new ATOM 0 HA ASN A 12 -1.302 6.034 -16.070 1.00 25.00 H new ATOM 0 HB2 ASN A 12 -1.193 3.027 -15.640 1.00 25.00 H new ATOM 0 HB3 ASN A 12 -1.090 3.747 -17.235 1.00 25.00 H new ATOM 0 HD21 ASN A 12 2.395 3.326 -16.397 1.00 25.00 H new ATOM 0 HD22 ASN A 12 0.989 2.399 -16.932 1.00 25.00 H new ATOM 198 N SER A 13 -4.049 4.338 -15.484 1.00 25.00 N ATOM 199 CA SER A 13 -5.432 4.171 -15.912 1.00 25.00 C ATOM 200 C SER A 13 -6.122 5.529 -16.081 1.00 25.00 C ATOM 201 O SER A 13 -6.892 5.727 -17.011 1.00 25.00 O ATOM 202 CB SER A 13 -6.203 3.328 -14.884 1.00 25.00 C ATOM 203 OG SER A 13 -5.624 2.056 -14.721 1.00 25.00 O ATOM 0 H SER A 13 -3.837 3.940 -14.569 1.00 25.00 H new ATOM 0 HA SER A 13 -5.429 3.660 -16.875 1.00 25.00 H new ATOM 0 HB2 SER A 13 -6.219 3.847 -13.926 1.00 25.00 H new ATOM 0 HB3 SER A 13 -7.239 3.219 -15.205 1.00 25.00 H new ATOM 0 HG SER A 13 -4.718 2.153 -14.359 1.00 25.00 H new ATOM 209 N GLN A 14 -5.790 6.480 -15.219 1.00 25.00 N ATOM 210 CA GLN A 14 -6.387 7.806 -15.298 1.00 25.00 C ATOM 211 C GLN A 14 -5.825 8.659 -16.433 1.00 25.00 C ATOM 212 O GLN A 14 -6.490 9.590 -16.915 1.00 25.00 O ATOM 213 CB GLN A 14 -6.127 8.578 -14.005 1.00 25.00 C ATOM 214 CG GLN A 14 -6.622 7.873 -12.720 1.00 25.00 C ATOM 215 CD GLN A 14 -6.359 8.720 -11.476 1.00 25.00 C ATOM 216 OE1 GLN A 14 -7.269 9.114 -10.783 1.00 25.00 O ATOM 217 NE2 GLN A 14 -5.123 8.990 -11.213 1.00 25.00 N ATOM 0 H GLN A 14 -5.116 6.360 -14.463 1.00 25.00 H new ATOM 0 HA GLN A 14 -7.449 7.634 -15.474 1.00 25.00 H new ATOM 0 HB2 GLN A 14 -5.056 8.758 -13.915 1.00 25.00 H new ATOM 0 HB3 GLN A 14 -6.609 9.553 -14.077 1.00 25.00 H new ATOM 0 HG2 GLN A 14 -7.690 7.671 -12.804 1.00 25.00 H new ATOM 0 HG3 GLN A 14 -6.122 6.910 -12.617 1.00 25.00 H new ATOM 0 HE21 GLN A 14 -4.384 8.639 -11.822 1.00 25.00 H new ATOM 0 HE22 GLN A 14 -4.887 9.554 -10.397 1.00 25.00 H new ATOM 226 N THR A 15 -4.580 8.389 -16.823 1.00 25.00 N ATOM 227 CA THR A 15 -3.877 9.286 -17.760 1.00 25.00 C ATOM 228 C THR A 15 -3.740 8.747 -19.182 1.00 25.00 C ATOM 229 O THR A 15 -3.209 9.456 -20.055 1.00 25.00 O ATOM 230 CB THR A 15 -2.465 9.579 -17.232 1.00 25.00 C ATOM 231 OG1 THR A 15 -1.767 8.356 -17.034 1.00 25.00 O ATOM 232 CG2 THR A 15 -2.527 10.307 -15.903 1.00 25.00 C ATOM 0 H THR A 15 -4.042 7.578 -16.518 1.00 25.00 H new ATOM 0 HA THR A 15 -4.496 10.181 -17.815 1.00 25.00 H new ATOM 0 HB THR A 15 -1.953 10.202 -17.965 1.00 25.00 H new ATOM 0 HG1 THR A 15 -0.932 8.530 -16.552 1.00 25.00 H new ATOM 0 HG21 THR A 15 -1.515 10.504 -15.548 1.00 25.00 H new ATOM 0 HG22 THR A 15 -3.057 11.251 -16.030 1.00 25.00 H new ATOM 0 HG23 THR A 15 -3.053 9.690 -15.174 1.00 25.00 H new ATOM 240 N ALA A 16 -4.155 7.511 -19.422 1.00 25.00 N ATOM 241 CA ALA A 16 -3.970 6.873 -20.717 1.00 25.00 C ATOM 242 C ALA A 16 -4.413 7.734 -21.909 1.00 25.00 C ATOM 243 O ALA A 16 -3.587 8.215 -22.671 1.00 25.00 O ATOM 244 CB ALA A 16 -4.711 5.518 -20.740 1.00 25.00 C ATOM 0 H ALA A 16 -4.625 6.927 -18.731 1.00 25.00 H new ATOM 0 HA ALA A 16 -2.896 6.727 -20.835 1.00 25.00 H new ATOM 0 HB1 ALA A 16 -4.571 5.043 -21.711 1.00 25.00 H new ATOM 0 HB2 ALA A 16 -4.312 4.872 -19.959 1.00 25.00 H new ATOM 0 HB3 ALA A 16 -5.775 5.682 -20.567 1.00 25.00 H new ATOM 250 N VAL A 17 -5.708 7.940 -22.055 1.00 25.00 N ATOM 251 CA VAL A 17 -6.233 8.696 -23.172 1.00 25.00 C ATOM 252 C VAL A 17 -5.846 10.172 -23.042 1.00 25.00 C ATOM 253 O VAL A 17 -5.726 10.898 -24.027 1.00 25.00 O ATOM 254 CB VAL A 17 -7.790 8.500 -23.310 1.00 25.00 C ATOM 255 CG1 VAL A 17 -8.558 9.169 -22.151 1.00 25.00 C ATOM 256 CG2 VAL A 17 -8.297 9.038 -24.633 1.00 25.00 C ATOM 0 H VAL A 17 -6.417 7.592 -21.410 1.00 25.00 H new ATOM 0 HA VAL A 17 -5.787 8.317 -24.092 1.00 25.00 H new ATOM 0 HB VAL A 17 -7.974 7.426 -23.270 1.00 25.00 H new ATOM 0 HG11 VAL A 17 -9.628 9.010 -22.284 1.00 25.00 H new ATOM 0 HG12 VAL A 17 -8.241 8.731 -21.204 1.00 25.00 H new ATOM 0 HG13 VAL A 17 -8.348 10.239 -22.145 1.00 25.00 H new ATOM 0 HG21 VAL A 17 -9.375 8.888 -24.698 1.00 25.00 H new ATOM 0 HG22 VAL A 17 -8.074 10.103 -24.702 1.00 25.00 H new ATOM 0 HG23 VAL A 17 -7.807 8.511 -25.452 1.00 25.00 H new ATOM 266 N GLN A 18 -5.643 10.617 -21.813 1.00 25.00 N ATOM 267 CA GLN A 18 -5.312 12.021 -21.551 1.00 25.00 C ATOM 268 C GLN A 18 -3.957 12.406 -22.159 1.00 25.00 C ATOM 269 O GLN A 18 -3.840 13.394 -22.888 1.00 25.00 O ATOM 270 CB GLN A 18 -5.302 12.264 -20.040 1.00 25.00 C ATOM 271 CG GLN A 18 -5.202 13.718 -19.648 1.00 25.00 C ATOM 272 CD GLN A 18 -5.310 13.895 -18.152 1.00 25.00 C ATOM 273 OE1 GLN A 18 -4.609 13.251 -17.374 1.00 25.00 O ATOM 274 NE2 GLN A 18 -6.158 14.794 -17.744 1.00 25.00 N ATOM 0 H GLN A 18 -5.700 10.034 -20.978 1.00 25.00 H new ATOM 0 HA GLN A 18 -6.070 12.647 -22.022 1.00 25.00 H new ATOM 0 HB2 GLN A 18 -6.212 11.845 -19.610 1.00 25.00 H new ATOM 0 HB3 GLN A 18 -4.464 11.723 -19.602 1.00 25.00 H new ATOM 0 HG2 GLN A 18 -4.253 14.126 -19.996 1.00 25.00 H new ATOM 0 HG3 GLN A 18 -5.992 14.284 -20.141 1.00 25.00 H new ATOM 0 HE21 GLN A 18 -6.722 15.308 -18.421 1.00 25.00 H new ATOM 0 HE22 GLN A 18 -6.259 14.985 -16.747 1.00 25.00 H new ATOM 283 N PHE A 19 -2.936 11.621 -21.894 1.00 25.00 N ATOM 284 CA PHE A 19 -1.611 11.963 -22.430 1.00 25.00 C ATOM 285 C PHE A 19 -1.531 11.653 -23.909 1.00 25.00 C ATOM 286 O PHE A 19 -0.717 12.232 -24.614 1.00 25.00 O ATOM 287 CB PHE A 19 -0.522 11.230 -21.651 1.00 25.00 C ATOM 288 CG PHE A 19 -0.366 11.678 -20.197 1.00 25.00 C ATOM 289 CD1 PHE A 19 -1.011 12.814 -19.675 1.00 25.00 C ATOM 290 CD2 PHE A 19 0.446 10.916 -19.340 1.00 25.00 C ATOM 291 CE1 PHE A 19 -0.880 13.175 -18.311 1.00 25.00 C ATOM 292 CE2 PHE A 19 0.588 11.250 -17.987 1.00 25.00 C ATOM 293 CZ PHE A 19 -0.074 12.392 -17.466 1.00 25.00 C ATOM 0 H PHE A 19 -2.978 10.770 -21.334 1.00 25.00 H new ATOM 0 HA PHE A 19 -1.453 13.035 -22.311 1.00 25.00 H new ATOM 0 HB2 PHE A 19 -0.739 10.162 -21.667 1.00 25.00 H new ATOM 0 HB3 PHE A 19 0.429 11.369 -22.164 1.00 25.00 H new ATOM 0 HD1 PHE A 19 -1.619 13.424 -20.327 1.00 25.00 H new ATOM 0 HD2 PHE A 19 0.970 10.057 -19.732 1.00 25.00 H new ATOM 0 HE1 PHE A 19 -1.394 14.043 -17.924 1.00 25.00 H new ATOM 0 HE2 PHE A 19 1.201 10.639 -17.341 1.00 25.00 H new ATOM 0 HZ PHE A 19 0.041 12.658 -16.426 1.00 25.00 H new ATOM 303 N GLN A 20 -2.397 10.767 -24.379 1.00 25.00 N ATOM 304 CA GLN A 20 -2.440 10.378 -25.789 1.00 25.00 C ATOM 305 C GLN A 20 -2.743 11.571 -26.679 1.00 25.00 C ATOM 306 O GLN A 20 -2.168 11.707 -27.759 1.00 25.00 O ATOM 307 CB GLN A 20 -3.495 9.293 -25.969 1.00 25.00 C ATOM 308 CG GLN A 20 -3.423 8.570 -27.292 1.00 25.00 C ATOM 309 CD GLN A 20 -4.454 7.451 -27.387 1.00 25.00 C ATOM 310 OE1 GLN A 20 -4.840 6.851 -26.401 1.00 25.00 O ATOM 311 NE2 GLN A 20 -4.913 7.194 -28.586 1.00 25.00 N ATOM 0 H GLN A 20 -3.090 10.296 -23.798 1.00 25.00 H new ATOM 0 HA GLN A 20 -1.463 9.994 -26.083 1.00 25.00 H new ATOM 0 HB2 GLN A 20 -3.392 8.565 -25.164 1.00 25.00 H new ATOM 0 HB3 GLN A 20 -4.483 9.743 -25.867 1.00 25.00 H new ATOM 0 HG2 GLN A 20 -3.583 9.281 -28.103 1.00 25.00 H new ATOM 0 HG3 GLN A 20 -2.424 8.155 -27.425 1.00 25.00 H new ATOM 0 HE21 GLN A 20 -4.565 7.718 -29.389 1.00 25.00 H new ATOM 0 HE22 GLN A 20 -5.619 6.469 -28.717 1.00 25.00 H new ATOM 320 N GLN A 21 -3.590 12.469 -26.204 1.00 25.00 N ATOM 321 CA GLN A 21 -3.936 13.656 -26.977 1.00 25.00 C ATOM 322 C GLN A 21 -2.746 14.639 -27.056 1.00 25.00 C ATOM 323 O GLN A 21 -2.440 15.174 -28.126 1.00 25.00 O ATOM 324 CB GLN A 21 -5.128 14.341 -26.318 1.00 25.00 C ATOM 325 CG GLN A 21 -6.383 13.457 -26.294 1.00 25.00 C ATOM 326 CD GLN A 21 -7.440 13.951 -25.344 1.00 25.00 C ATOM 327 OE1 GLN A 21 -8.129 14.923 -25.596 1.00 25.00 O ATOM 328 NE2 GLN A 21 -7.587 13.274 -24.240 1.00 25.00 N ATOM 0 H GLN A 21 -4.049 12.403 -25.295 1.00 25.00 H new ATOM 0 HA GLN A 21 -4.187 13.353 -27.994 1.00 25.00 H new ATOM 0 HB2 GLN A 21 -4.864 14.617 -25.297 1.00 25.00 H new ATOM 0 HB3 GLN A 21 -5.350 15.266 -26.851 1.00 25.00 H new ATOM 0 HG2 GLN A 21 -6.802 13.406 -27.299 1.00 25.00 H new ATOM 0 HG3 GLN A 21 -6.099 12.442 -26.015 1.00 25.00 H new ATOM 0 HE21 GLN A 21 -6.995 12.464 -24.056 1.00 25.00 H new ATOM 0 HE22 GLN A 21 -8.294 13.554 -23.560 1.00 25.00 H new ATOM 337 N TYR A 22 -2.010 14.775 -25.961 1.00 25.00 N ATOM 338 CA TYR A 22 -0.808 15.607 -25.931 1.00 25.00 C ATOM 339 C TYR A 22 0.290 14.963 -26.768 1.00 25.00 C ATOM 340 O TYR A 22 1.012 15.656 -27.466 1.00 25.00 O ATOM 341 CB TYR A 22 -0.345 15.794 -24.496 1.00 25.00 C ATOM 342 CG TYR A 22 1.049 16.405 -24.410 1.00 25.00 C ATOM 343 CD1 TYR A 22 1.276 17.761 -24.706 1.00 25.00 C ATOM 344 CD2 TYR A 22 2.152 15.614 -24.022 1.00 25.00 C ATOM 345 CE1 TYR A 22 2.594 18.332 -24.603 1.00 25.00 C ATOM 346 CE2 TYR A 22 3.462 16.180 -23.932 1.00 25.00 C ATOM 347 CZ TYR A 22 3.667 17.519 -24.217 1.00 25.00 C ATOM 348 OH TYR A 22 4.943 18.010 -24.131 1.00 25.00 O ATOM 0 H TYR A 22 -2.224 14.318 -25.075 1.00 25.00 H new ATOM 0 HA TYR A 22 -1.037 16.586 -26.353 1.00 25.00 H new ATOM 0 HB2 TYR A 22 -1.053 16.434 -23.969 1.00 25.00 H new ATOM 0 HB3 TYR A 22 -0.348 14.830 -23.988 1.00 25.00 H new ATOM 0 HD1 TYR A 22 0.449 18.383 -25.015 1.00 25.00 H new ATOM 0 HD2 TYR A 22 2.005 14.569 -23.791 1.00 25.00 H new ATOM 0 HE1 TYR A 22 2.754 19.378 -24.821 1.00 25.00 H new ATOM 0 HE2 TYR A 22 4.296 15.559 -23.640 1.00 25.00 H new ATOM 0 HH TYR A 22 5.550 17.295 -23.847 1.00 25.00 H new ATOM 358 N ALA A 23 0.381 13.645 -26.746 1.00 25.00 N ATOM 359 CA ALA A 23 1.374 12.932 -27.528 1.00 25.00 C ATOM 360 C ALA A 23 1.119 13.150 -29.009 1.00 25.00 C ATOM 361 O ALA A 23 2.058 13.375 -29.772 1.00 25.00 O ATOM 362 CB ALA A 23 1.386 11.453 -27.165 1.00 25.00 C ATOM 0 H ALA A 23 -0.226 13.043 -26.190 1.00 25.00 H new ATOM 0 HA ALA A 23 2.363 13.326 -27.296 1.00 25.00 H new ATOM 0 HB1 ALA A 23 2.138 10.938 -27.763 1.00 25.00 H new ATOM 0 HB2 ALA A 23 1.624 11.340 -26.107 1.00 25.00 H new ATOM 0 HB3 ALA A 23 0.405 11.021 -27.364 1.00 25.00 H new ATOM 368 N ALA A 24 -0.131 13.097 -29.427 1.00 25.00 N ATOM 369 CA ALA A 24 -0.443 13.314 -30.831 1.00 25.00 C ATOM 370 C ALA A 24 -0.092 14.748 -31.266 1.00 25.00 C ATOM 371 O ALA A 24 0.239 14.987 -32.400 1.00 25.00 O ATOM 372 CB ALA A 24 -1.938 13.029 -31.092 1.00 25.00 C ATOM 0 H ALA A 24 -0.936 12.909 -28.829 1.00 25.00 H new ATOM 0 HA ALA A 24 0.162 12.626 -31.422 1.00 25.00 H new ATOM 0 HB1 ALA A 24 -2.161 13.194 -32.146 1.00 25.00 H new ATOM 0 HB2 ALA A 24 -2.162 11.995 -30.832 1.00 25.00 H new ATOM 0 HB3 ALA A 24 -2.547 13.697 -30.483 1.00 25.00 H new ATOM 378 N GLN A 25 -0.160 15.694 -30.339 1.00 25.00 N ATOM 379 CA GLN A 25 0.189 17.090 -30.612 1.00 25.00 C ATOM 380 C GLN A 25 1.704 17.219 -30.833 1.00 25.00 C ATOM 381 O GLN A 25 2.163 18.110 -31.510 1.00 25.00 O ATOM 382 CB GLN A 25 -0.240 17.971 -29.410 1.00 25.00 C ATOM 383 CG GLN A 25 -0.163 19.479 -29.662 1.00 25.00 C ATOM 384 CD GLN A 25 -0.467 20.249 -28.411 1.00 25.00 C ATOM 385 OE1 GLN A 25 -1.493 20.074 -27.789 1.00 25.00 O ATOM 386 NE2 GLN A 25 0.444 21.068 -28.010 1.00 25.00 N ATOM 0 H GLN A 25 -0.457 15.521 -29.379 1.00 25.00 H new ATOM 0 HA GLN A 25 -0.329 17.421 -31.512 1.00 25.00 H new ATOM 0 HB2 GLN A 25 -1.263 17.714 -29.136 1.00 25.00 H new ATOM 0 HB3 GLN A 25 0.390 17.727 -28.555 1.00 25.00 H new ATOM 0 HG2 GLN A 25 0.832 19.741 -30.022 1.00 25.00 H new ATOM 0 HG3 GLN A 25 -0.868 19.757 -30.445 1.00 25.00 H new ATOM 0 HE21 GLN A 25 1.296 21.191 -28.558 1.00 25.00 H new ATOM 0 HE22 GLN A 25 0.313 21.593 -27.145 1.00 25.00 H new ATOM 395 N GLN A 26 2.457 16.363 -30.174 1.00 25.00 N ATOM 396 CA GLN A 26 3.924 16.406 -30.194 1.00 25.00 C ATOM 397 C GLN A 26 4.547 15.587 -31.315 1.00 25.00 C ATOM 398 O GLN A 26 5.422 16.079 -32.016 1.00 25.00 O ATOM 399 CB GLN A 26 4.470 15.860 -28.875 1.00 25.00 C ATOM 400 CG GLN A 26 4.687 16.916 -27.790 1.00 25.00 C ATOM 401 CD GLN A 26 6.059 17.575 -27.873 1.00 25.00 C ATOM 402 OE1 GLN A 26 6.450 18.094 -28.889 1.00 25.00 O ATOM 403 NE2 GLN A 26 6.803 17.528 -26.796 1.00 25.00 N ATOM 0 H GLN A 26 2.076 15.609 -29.602 1.00 25.00 H new ATOM 0 HA GLN A 26 4.187 17.452 -30.352 1.00 25.00 H new ATOM 0 HB2 GLN A 26 3.781 15.105 -28.496 1.00 25.00 H new ATOM 0 HB3 GLN A 26 5.418 15.358 -29.069 1.00 25.00 H new ATOM 0 HG2 GLN A 26 3.916 17.681 -27.875 1.00 25.00 H new ATOM 0 HG3 GLN A 26 4.570 16.453 -26.810 1.00 25.00 H new ATOM 0 HE21 GLN A 26 6.448 17.083 -25.950 1.00 25.00 H new ATOM 0 HE22 GLN A 26 7.738 17.937 -26.804 1.00 25.00 H new ATOM 412 N TYR A 27 4.076 14.358 -31.482 1.00 25.00 N ATOM 413 CA TYR A 27 4.565 13.465 -32.515 1.00 25.00 C ATOM 414 C TYR A 27 3.407 13.005 -33.415 1.00 25.00 C ATOM 415 O TYR A 27 2.940 11.862 -33.319 1.00 25.00 O ATOM 416 CB TYR A 27 5.256 12.263 -31.892 1.00 25.00 C ATOM 417 CG TYR A 27 6.511 12.611 -31.099 1.00 25.00 C ATOM 418 CD1 TYR A 27 7.474 13.504 -31.618 1.00 25.00 C ATOM 419 CD2 TYR A 27 6.739 12.034 -29.833 1.00 25.00 C ATOM 420 CE1 TYR A 27 8.634 13.826 -30.883 1.00 25.00 C ATOM 421 CE2 TYR A 27 7.918 12.347 -29.104 1.00 25.00 C ATOM 422 CZ TYR A 27 8.838 13.250 -29.631 1.00 25.00 C ATOM 423 OH TYR A 27 9.958 13.559 -28.929 1.00 25.00 O ATOM 0 H TYR A 27 3.341 13.954 -30.901 1.00 25.00 H new ATOM 0 HA TYR A 27 5.289 14.005 -33.126 1.00 25.00 H new ATOM 0 HB2 TYR A 27 4.552 11.753 -31.234 1.00 25.00 H new ATOM 0 HB3 TYR A 27 5.521 11.560 -32.681 1.00 25.00 H new ATOM 0 HD1 TYR A 27 7.320 13.946 -32.591 1.00 25.00 H new ATOM 0 HD2 TYR A 27 6.014 11.351 -29.415 1.00 25.00 H new ATOM 0 HE1 TYR A 27 9.360 14.515 -31.288 1.00 25.00 H new ATOM 0 HE2 TYR A 27 8.100 11.886 -28.144 1.00 25.00 H new ATOM 0 HH TYR A 27 9.953 13.077 -28.076 1.00 25.00 H new ATOM 433 N PRO A 28 2.873 13.920 -34.237 1.00 25.00 N ATOM 434 CA PRO A 28 1.668 13.550 -34.989 1.00 25.00 C ATOM 435 C PRO A 28 1.941 12.456 -36.036 1.00 25.00 C ATOM 436 O PRO A 28 2.943 12.480 -36.723 1.00 25.00 O ATOM 437 CB PRO A 28 1.237 14.870 -35.619 1.00 25.00 C ATOM 438 CG PRO A 28 2.515 15.628 -35.763 1.00 25.00 C ATOM 439 CD PRO A 28 3.273 15.315 -34.524 1.00 25.00 C ATOM 0 HA PRO A 28 0.894 13.110 -34.360 1.00 25.00 H new ATOM 0 HB2 PRO A 28 0.753 14.714 -36.583 1.00 25.00 H new ATOM 0 HB3 PRO A 28 0.525 15.402 -34.987 1.00 25.00 H new ATOM 0 HG2 PRO A 28 3.063 15.318 -36.653 1.00 25.00 H new ATOM 0 HG3 PRO A 28 2.333 16.699 -35.858 1.00 25.00 H new ATOM 0 HD2 PRO A 28 4.349 15.404 -34.675 1.00 25.00 H new ATOM 0 HD3 PRO A 28 3.009 15.987 -33.708 1.00 25.00 H new ATOM 447 N GLY A 29 1.057 11.473 -36.089 1.00 25.00 N ATOM 448 CA GLY A 29 1.176 10.374 -37.030 1.00 25.00 C ATOM 449 C GLY A 29 2.131 9.257 -36.584 1.00 25.00 C ATOM 450 O GLY A 29 2.122 8.179 -37.173 1.00 25.00 O ATOM 0 H GLY A 29 0.239 11.415 -35.482 1.00 25.00 H new ATOM 0 HA2 GLY A 29 0.188 9.945 -37.196 1.00 25.00 H new ATOM 0 HA3 GLY A 29 1.518 10.767 -37.987 1.00 25.00 H new ATOM 454 N ASN A 30 2.961 9.515 -35.578 1.00 25.00 N ATOM 455 CA ASN A 30 3.952 8.533 -35.138 1.00 25.00 C ATOM 456 C ASN A 30 3.470 7.794 -33.879 1.00 25.00 C ATOM 457 O ASN A 30 3.812 8.184 -32.778 1.00 25.00 O ATOM 458 CB ASN A 30 5.287 9.197 -34.831 1.00 25.00 C ATOM 459 CG ASN A 30 6.059 9.584 -36.085 1.00 25.00 C ATOM 460 OD1 ASN A 30 5.701 10.507 -36.779 1.00 25.00 O ATOM 461 ND2 ASN A 30 7.133 8.894 -36.359 1.00 25.00 N ATOM 0 H ASN A 30 2.969 10.390 -35.053 1.00 25.00 H new ATOM 0 HA ASN A 30 4.081 7.822 -35.954 1.00 25.00 H new ATOM 0 HB2 ASN A 30 5.114 10.088 -34.228 1.00 25.00 H new ATOM 0 HB3 ASN A 30 5.895 8.519 -34.231 1.00 25.00 H new ATOM 0 HD21 ASN A 30 7.695 9.129 -37.177 1.00 25.00 H new ATOM 0 HD22 ASN A 30 7.410 8.120 -35.755 1.00 25.00 H new ATOM 468 N TYR A 31 2.698 6.735 -34.059 1.00 25.00 N ATOM 469 CA TYR A 31 2.161 5.959 -32.947 1.00 25.00 C ATOM 470 C TYR A 31 3.225 5.524 -31.973 1.00 25.00 C ATOM 471 O TYR A 31 3.077 5.711 -30.769 1.00 25.00 O ATOM 472 CB TYR A 31 1.428 4.734 -33.479 1.00 25.00 C ATOM 473 CG TYR A 31 1.069 3.720 -32.389 1.00 25.00 C ATOM 474 CD1 TYR A 31 -0.075 3.894 -31.600 1.00 25.00 C ATOM 475 CD2 TYR A 31 1.872 2.577 -32.160 1.00 25.00 C ATOM 476 CE1 TYR A 31 -0.410 2.973 -30.592 1.00 25.00 C ATOM 477 CE2 TYR A 31 1.530 1.650 -31.147 1.00 25.00 C ATOM 478 CZ TYR A 31 0.408 1.856 -30.376 1.00 25.00 C ATOM 479 OH TYR A 31 0.081 0.947 -29.393 1.00 25.00 O ATOM 0 H TYR A 31 2.425 6.387 -34.978 1.00 25.00 H new ATOM 0 HA TYR A 31 1.473 6.610 -32.407 1.00 25.00 H new ATOM 0 HB2 TYR A 31 0.515 5.055 -33.981 1.00 25.00 H new ATOM 0 HB3 TYR A 31 2.049 4.245 -34.229 1.00 25.00 H new ATOM 0 HD1 TYR A 31 -0.711 4.751 -31.769 1.00 25.00 H new ATOM 0 HD2 TYR A 31 2.752 2.411 -32.763 1.00 25.00 H new ATOM 0 HE1 TYR A 31 -1.292 3.125 -29.988 1.00 25.00 H new ATOM 0 HE2 TYR A 31 2.149 0.781 -30.979 1.00 25.00 H new ATOM 0 HH TYR A 31 0.750 0.231 -29.374 1.00 25.00 H new ATOM 489 N GLU A 32 4.317 4.969 -32.475 1.00 25.00 N ATOM 490 CA GLU A 32 5.402 4.493 -31.592 1.00 25.00 C ATOM 491 C GLU A 32 6.022 5.646 -30.771 1.00 25.00 C ATOM 492 O GLU A 32 6.163 5.529 -29.549 1.00 25.00 O ATOM 493 CB GLU A 32 6.468 3.795 -32.409 1.00 25.00 C ATOM 494 CG GLU A 32 6.872 4.582 -33.675 1.00 25.00 C ATOM 495 CD GLU A 32 7.932 3.874 -34.500 1.00 25.00 C ATOM 496 OE1 GLU A 32 7.968 2.629 -34.513 1.00 25.00 O ATOM 497 OE2 GLU A 32 8.675 4.574 -35.196 1.00 25.00 O ATOM 0 H GLU A 32 4.487 4.833 -33.472 1.00 25.00 H new ATOM 0 HA GLU A 32 4.969 3.785 -30.885 1.00 25.00 H new ATOM 0 HB2 GLU A 32 7.350 3.640 -31.788 1.00 25.00 H new ATOM 0 HB3 GLU A 32 6.106 2.809 -32.701 1.00 25.00 H new ATOM 0 HG2 GLU A 32 5.988 4.746 -34.292 1.00 25.00 H new ATOM 0 HG3 GLU A 32 7.243 5.564 -33.383 1.00 25.00 H new ATOM 504 N GLN A 33 6.322 6.769 -31.393 1.00 25.00 N ATOM 505 CA GLN A 33 6.920 7.899 -30.674 1.00 25.00 C ATOM 506 C GLN A 33 5.946 8.450 -29.663 1.00 25.00 C ATOM 507 O GLN A 33 6.351 8.862 -28.571 1.00 25.00 O ATOM 508 CB GLN A 33 7.312 9.019 -31.621 1.00 25.00 C ATOM 509 CG GLN A 33 8.392 8.648 -32.628 1.00 25.00 C ATOM 510 CD GLN A 33 9.712 8.332 -31.945 1.00 25.00 C ATOM 511 OE1 GLN A 33 10.144 7.205 -31.908 1.00 25.00 O ATOM 512 NE2 GLN A 33 10.336 9.328 -31.400 1.00 25.00 N ATOM 0 H GLN A 33 6.167 6.932 -32.388 1.00 25.00 H new ATOM 0 HA GLN A 33 7.814 7.525 -30.175 1.00 25.00 H new ATOM 0 HB2 GLN A 33 6.425 9.346 -32.163 1.00 25.00 H new ATOM 0 HB3 GLN A 33 7.658 9.870 -31.034 1.00 25.00 H new ATOM 0 HG2 GLN A 33 8.067 7.785 -33.209 1.00 25.00 H new ATOM 0 HG3 GLN A 33 8.533 9.470 -33.330 1.00 25.00 H new ATOM 0 HE21 GLN A 33 9.941 10.267 -31.451 1.00 25.00 H new ATOM 0 HE22 GLN A 33 11.223 9.173 -30.920 1.00 25.00 H new ATOM 521 N GLN A 34 4.669 8.445 -29.997 1.00 25.00 N ATOM 522 CA GLN A 34 3.676 8.888 -29.055 1.00 25.00 C ATOM 523 C GLN A 34 3.675 8.007 -27.812 1.00 25.00 C ATOM 524 O GLN A 34 3.503 8.503 -26.688 1.00 25.00 O ATOM 525 CB GLN A 34 2.281 8.856 -29.684 1.00 25.00 C ATOM 526 CG GLN A 34 1.995 9.973 -30.637 1.00 25.00 C ATOM 527 CD GLN A 34 0.658 9.831 -31.319 1.00 25.00 C ATOM 528 OE1 GLN A 34 -0.276 9.312 -30.750 1.00 25.00 O ATOM 529 NE2 GLN A 34 0.581 10.260 -32.553 1.00 25.00 N ATOM 0 H GLN A 34 4.305 8.143 -30.901 1.00 25.00 H new ATOM 0 HA GLN A 34 3.926 9.911 -28.773 1.00 25.00 H new ATOM 0 HB2 GLN A 34 2.157 7.909 -30.209 1.00 25.00 H new ATOM 0 HB3 GLN A 34 1.538 8.879 -28.887 1.00 25.00 H new ATOM 0 HG2 GLN A 34 2.024 10.920 -30.099 1.00 25.00 H new ATOM 0 HG3 GLN A 34 2.781 10.011 -31.392 1.00 25.00 H new ATOM 0 HE21 GLN A 34 1.393 10.692 -32.994 1.00 25.00 H new ATOM 0 HE22 GLN A 34 -0.291 10.163 -33.073 1.00 25.00 H new ATOM 538 N GLN A 35 3.891 6.717 -27.994 1.00 25.00 N ATOM 539 CA GLN A 35 3.874 5.781 -26.860 1.00 25.00 C ATOM 540 C GLN A 35 5.111 5.960 -25.991 1.00 25.00 C ATOM 541 O GLN A 35 5.035 5.908 -24.751 1.00 25.00 O ATOM 542 CB GLN A 35 3.805 4.326 -27.368 1.00 25.00 C ATOM 543 CG GLN A 35 2.455 3.960 -28.027 1.00 25.00 C ATOM 544 CD GLN A 35 1.306 4.006 -27.041 1.00 25.00 C ATOM 545 OE1 GLN A 35 1.371 3.422 -25.980 1.00 25.00 O ATOM 546 NE2 GLN A 35 0.256 4.707 -27.385 1.00 25.00 N ATOM 0 H GLN A 35 4.079 6.287 -28.900 1.00 25.00 H new ATOM 0 HA GLN A 35 2.990 5.995 -26.259 1.00 25.00 H new ATOM 0 HB2 GLN A 35 4.607 4.164 -28.089 1.00 25.00 H new ATOM 0 HB3 GLN A 35 3.986 3.650 -26.532 1.00 25.00 H new ATOM 0 HG2 GLN A 35 2.255 4.649 -28.848 1.00 25.00 H new ATOM 0 HG3 GLN A 35 2.522 2.961 -28.458 1.00 25.00 H new ATOM 0 HE21 GLN A 35 0.235 5.186 -28.285 1.00 25.00 H new ATOM 0 HE22 GLN A 35 -0.541 4.775 -26.753 1.00 25.00 H new ATOM 555 N ILE A 36 6.256 6.243 -26.619 1.00 25.00 N ATOM 556 CA ILE A 36 7.474 6.524 -25.865 1.00 25.00 C ATOM 557 C ILE A 36 7.312 7.771 -25.016 1.00 25.00 C ATOM 558 O ILE A 36 7.723 7.775 -23.827 1.00 25.00 O ATOM 559 CB ILE A 36 8.702 6.701 -26.857 1.00 25.00 C ATOM 560 CG1 ILE A 36 8.911 5.420 -27.695 1.00 25.00 C ATOM 561 CG2 ILE A 36 9.992 7.099 -26.077 1.00 25.00 C ATOM 562 CD1 ILE A 36 9.750 5.657 -28.964 1.00 25.00 C ATOM 0 H ILE A 36 6.362 6.283 -27.633 1.00 25.00 H new ATOM 0 HA ILE A 36 7.666 5.680 -25.203 1.00 25.00 H new ATOM 0 HB ILE A 36 8.477 7.514 -27.548 1.00 25.00 H new ATOM 0 HG12 ILE A 36 9.401 4.666 -27.079 1.00 25.00 H new ATOM 0 HG13 ILE A 36 7.939 5.017 -27.980 1.00 25.00 H new ATOM 0 HG21 ILE A 36 10.819 7.215 -26.777 1.00 25.00 H new ATOM 0 HG22 ILE A 36 9.825 8.041 -25.554 1.00 25.00 H new ATOM 0 HG23 ILE A 36 10.235 6.320 -25.354 1.00 25.00 H new ATOM 0 HD11 ILE A 36 9.860 4.719 -29.508 1.00 25.00 H new ATOM 0 HD12 ILE A 36 9.250 6.388 -29.599 1.00 25.00 H new ATOM 0 HD13 ILE A 36 10.735 6.032 -28.684 1.00 25.00 H new ATOM 574 N LEU A 37 6.704 8.798 -25.584 1.00 25.00 N ATOM 575 CA LEU A 37 6.517 10.032 -24.836 1.00 25.00 C ATOM 576 C LEU A 37 5.599 9.801 -23.637 1.00 25.00 C ATOM 577 O LEU A 37 5.935 10.153 -22.527 1.00 25.00 O ATOM 578 CB LEU A 37 5.936 11.112 -25.742 1.00 25.00 C ATOM 579 CG LEU A 37 5.637 12.479 -25.108 1.00 25.00 C ATOM 580 CD1 LEU A 37 6.874 13.086 -24.409 1.00 25.00 C ATOM 581 CD2 LEU A 37 5.107 13.406 -26.191 1.00 25.00 C ATOM 0 H LEU A 37 6.339 8.806 -26.536 1.00 25.00 H new ATOM 0 HA LEU A 37 7.488 10.363 -24.468 1.00 25.00 H new ATOM 0 HB2 LEU A 37 6.630 11.268 -26.568 1.00 25.00 H new ATOM 0 HB3 LEU A 37 5.010 10.730 -26.171 1.00 25.00 H new ATOM 0 HG LEU A 37 4.887 12.348 -24.328 1.00 25.00 H new ATOM 0 HD11 LEU A 37 6.611 14.052 -23.977 1.00 25.00 H new ATOM 0 HD12 LEU A 37 7.211 12.415 -23.619 1.00 25.00 H new ATOM 0 HD13 LEU A 37 7.674 13.220 -25.137 1.00 25.00 H new ATOM 0 HD21 LEU A 37 4.889 14.383 -25.759 1.00 25.00 H new ATOM 0 HD22 LEU A 37 5.856 13.515 -26.975 1.00 25.00 H new ATOM 0 HD23 LEU A 37 4.196 12.985 -26.616 1.00 25.00 H new ATOM 593 N ILE A 38 4.470 9.138 -23.851 1.00 25.00 N ATOM 594 CA ILE A 38 3.525 8.843 -22.763 1.00 25.00 C ATOM 595 C ILE A 38 4.217 8.059 -21.641 1.00 25.00 C ATOM 596 O ILE A 38 4.035 8.365 -20.444 1.00 25.00 O ATOM 597 CB ILE A 38 2.307 8.043 -23.312 1.00 25.00 C ATOM 598 CG1 ILE A 38 1.479 8.942 -24.265 1.00 25.00 C ATOM 599 CG2 ILE A 38 1.395 7.536 -22.160 1.00 25.00 C ATOM 600 CD1 ILE A 38 0.581 8.179 -25.211 1.00 25.00 C ATOM 0 H ILE A 38 4.179 8.791 -24.765 1.00 25.00 H new ATOM 0 HA ILE A 38 3.168 9.787 -22.350 1.00 25.00 H new ATOM 0 HB ILE A 38 2.689 7.177 -23.852 1.00 25.00 H new ATOM 0 HG12 ILE A 38 0.868 9.619 -23.668 1.00 25.00 H new ATOM 0 HG13 ILE A 38 2.162 9.560 -24.849 1.00 25.00 H new ATOM 0 HG21 ILE A 38 0.555 6.982 -22.578 1.00 25.00 H new ATOM 0 HG22 ILE A 38 1.969 6.883 -21.502 1.00 25.00 H new ATOM 0 HG23 ILE A 38 1.021 8.387 -21.591 1.00 25.00 H new ATOM 0 HD11 ILE A 38 0.037 8.881 -25.843 1.00 25.00 H new ATOM 0 HD12 ILE A 38 1.186 7.522 -25.836 1.00 25.00 H new ATOM 0 HD13 ILE A 38 -0.128 7.582 -24.638 1.00 25.00 H new ATOM 612 N ARG A 39 5.040 7.085 -22.000 1.00 25.00 N ATOM 613 CA ARG A 39 5.755 6.304 -20.996 1.00 25.00 C ATOM 614 C ARG A 39 6.659 7.179 -20.122 1.00 25.00 C ATOM 615 O ARG A 39 6.759 6.946 -18.908 1.00 25.00 O ATOM 616 CB ARG A 39 6.555 5.210 -21.712 1.00 25.00 C ATOM 617 CG ARG A 39 7.049 4.088 -20.789 1.00 25.00 C ATOM 618 CD ARG A 39 8.481 4.333 -20.283 1.00 25.00 C ATOM 619 NE ARG A 39 8.959 3.203 -19.458 1.00 25.00 N ATOM 620 CZ ARG A 39 8.931 3.160 -18.138 1.00 25.00 C ATOM 621 NH1 ARG A 39 8.438 4.128 -17.423 1.00 25.00 N ATOM 622 NH2 ARG A 39 9.447 2.118 -17.517 1.00 25.00 N ATOM 0 H ARG A 39 5.229 6.817 -22.966 1.00 25.00 H new ATOM 0 HA ARG A 39 5.033 5.848 -20.318 1.00 25.00 H new ATOM 0 HB2 ARG A 39 5.934 4.775 -22.495 1.00 25.00 H new ATOM 0 HB3 ARG A 39 7.414 5.666 -22.203 1.00 25.00 H new ATOM 0 HG2 ARG A 39 6.375 3.999 -19.937 1.00 25.00 H new ATOM 0 HG3 ARG A 39 7.013 3.139 -21.324 1.00 25.00 H new ATOM 0 HD2 ARG A 39 9.150 4.475 -21.132 1.00 25.00 H new ATOM 0 HD3 ARG A 39 8.510 5.252 -19.697 1.00 25.00 H new ATOM 0 HE ARG A 39 9.340 2.393 -19.947 1.00 25.00 H new ATOM 0 HH11 ARG A 39 8.056 4.956 -17.880 1.00 25.00 H new ATOM 0 HH12 ARG A 39 8.434 4.059 -16.405 1.00 25.00 H new ATOM 0 HH21 ARG A 39 9.862 1.357 -18.055 1.00 25.00 H new ATOM 0 HH22 ARG A 39 9.432 2.073 -16.498 1.00 25.00 H new ATOM 636 N GLN A 40 7.292 8.182 -20.703 1.00 25.00 N ATOM 637 CA GLN A 40 8.137 9.095 -19.946 1.00 25.00 C ATOM 638 C GLN A 40 7.277 10.010 -19.063 1.00 25.00 C ATOM 639 O GLN A 40 7.589 10.207 -17.889 1.00 25.00 O ATOM 640 CB GLN A 40 9.007 9.958 -20.895 1.00 25.00 C ATOM 641 CG GLN A 40 9.950 10.957 -20.189 1.00 25.00 C ATOM 642 CD GLN A 40 9.258 12.274 -19.844 1.00 25.00 C ATOM 643 OE1 GLN A 40 8.589 12.860 -20.671 1.00 25.00 O ATOM 644 NE2 GLN A 40 9.441 12.739 -18.639 1.00 25.00 N ATOM 0 H GLN A 40 7.238 8.388 -21.701 1.00 25.00 H new ATOM 0 HA GLN A 40 8.794 8.498 -19.314 1.00 25.00 H new ATOM 0 HB2 GLN A 40 9.606 9.294 -21.518 1.00 25.00 H new ATOM 0 HB3 GLN A 40 8.348 10.513 -21.563 1.00 25.00 H new ATOM 0 HG2 GLN A 40 10.336 10.504 -19.276 1.00 25.00 H new ATOM 0 HG3 GLN A 40 10.807 11.159 -20.832 1.00 25.00 H new ATOM 0 HE21 GLN A 40 10.010 12.218 -17.972 1.00 25.00 H new ATOM 0 HE22 GLN A 40 9.015 13.624 -18.364 1.00 25.00 H new ATOM 653 N LEU A 41 6.185 10.537 -19.619 1.00 25.00 N ATOM 654 CA LEU A 41 5.332 11.473 -18.875 1.00 25.00 C ATOM 655 C LEU A 41 4.786 10.823 -17.611 1.00 25.00 C ATOM 656 O LEU A 41 4.743 11.426 -16.536 1.00 25.00 O ATOM 657 CB LEU A 41 4.146 11.919 -19.735 1.00 25.00 C ATOM 658 CG LEU A 41 4.413 12.692 -21.038 1.00 25.00 C ATOM 659 CD1 LEU A 41 3.130 12.841 -21.839 1.00 25.00 C ATOM 660 CD2 LEU A 41 4.987 14.058 -20.736 1.00 25.00 C ATOM 0 H LEU A 41 5.871 10.337 -20.569 1.00 25.00 H new ATOM 0 HA LEU A 41 5.947 12.333 -18.610 1.00 25.00 H new ATOM 0 HB2 LEU A 41 3.575 11.028 -19.994 1.00 25.00 H new ATOM 0 HB3 LEU A 41 3.503 12.540 -19.111 1.00 25.00 H new ATOM 0 HG LEU A 41 5.136 12.127 -21.627 1.00 25.00 H new ATOM 0 HD11 LEU A 41 3.336 13.390 -22.758 1.00 25.00 H new ATOM 0 HD12 LEU A 41 2.739 11.854 -22.086 1.00 25.00 H new ATOM 0 HD13 LEU A 41 2.394 13.386 -21.248 1.00 25.00 H new ATOM 0 HD21 LEU A 41 5.170 14.590 -21.669 1.00 25.00 H new ATOM 0 HD22 LEU A 41 4.281 14.623 -20.128 1.00 25.00 H new ATOM 0 HD23 LEU A 41 5.925 13.946 -20.193 1.00 25.00 H new ATOM 672 N GLN A 42 4.338 9.580 -17.744 1.00 25.00 N ATOM 673 CA GLN A 42 3.729 8.870 -16.624 1.00 25.00 C ATOM 674 C GLN A 42 4.752 8.667 -15.510 1.00 25.00 C ATOM 675 O GLN A 42 4.417 8.743 -14.333 1.00 25.00 O ATOM 676 CB GLN A 42 3.174 7.548 -17.124 1.00 25.00 C ATOM 677 CG GLN A 42 1.920 7.721 -17.977 1.00 25.00 C ATOM 678 CD GLN A 42 1.402 6.422 -18.525 1.00 25.00 C ATOM 679 OE1 GLN A 42 2.141 5.460 -18.681 1.00 25.00 O ATOM 680 NE2 GLN A 42 0.128 6.370 -18.809 1.00 25.00 N ATOM 0 H GLN A 42 4.384 9.045 -18.611 1.00 25.00 H new ATOM 0 HA GLN A 42 2.910 9.457 -16.208 1.00 25.00 H new ATOM 0 HB2 GLN A 42 3.938 7.035 -17.708 1.00 25.00 H new ATOM 0 HB3 GLN A 42 2.943 6.910 -16.271 1.00 25.00 H new ATOM 0 HG2 GLN A 42 1.141 8.193 -17.378 1.00 25.00 H new ATOM 0 HG3 GLN A 42 2.139 8.397 -18.804 1.00 25.00 H new ATOM 0 HE21 GLN A 42 -0.460 7.191 -18.667 1.00 25.00 H new ATOM 0 HE22 GLN A 42 -0.279 5.508 -19.173 1.00 25.00 H new ATOM 689 N GLU A 43 6.003 8.443 -15.869 1.00 25.00 N ATOM 690 CA GLU A 43 7.056 8.254 -14.870 1.00 25.00 C ATOM 691 C GLU A 43 7.390 9.549 -14.145 1.00 25.00 C ATOM 692 O GLU A 43 7.638 9.547 -12.933 1.00 25.00 O ATOM 693 CB GLU A 43 8.305 7.687 -15.532 1.00 25.00 C ATOM 694 CG GLU A 43 9.243 7.071 -14.530 1.00 25.00 C ATOM 695 CD GLU A 43 10.220 6.136 -15.185 1.00 25.00 C ATOM 696 OE1 GLU A 43 11.206 6.617 -15.752 1.00 25.00 O ATOM 697 OE2 GLU A 43 9.961 4.895 -15.179 1.00 25.00 O ATOM 0 H GLU A 43 6.320 8.387 -16.837 1.00 25.00 H new ATOM 0 HA GLU A 43 6.684 7.548 -14.127 1.00 25.00 H new ATOM 0 HB2 GLU A 43 8.016 6.936 -16.268 1.00 25.00 H new ATOM 0 HB3 GLU A 43 8.821 8.481 -16.072 1.00 25.00 H new ATOM 0 HG2 GLU A 43 9.787 7.859 -14.008 1.00 25.00 H new ATOM 0 HG3 GLU A 43 8.668 6.529 -13.779 1.00 25.00 H new ATOM 704 N GLN A 44 7.353 10.671 -14.866 1.00 25.00 N ATOM 705 CA GLN A 44 7.579 11.973 -14.236 1.00 25.00 C ATOM 706 C GLN A 44 6.415 12.345 -13.311 1.00 25.00 C ATOM 707 O GLN A 44 6.614 12.834 -12.197 1.00 25.00 O ATOM 708 CB GLN A 44 7.708 13.048 -15.323 1.00 25.00 C ATOM 709 CG GLN A 44 8.099 14.417 -14.791 1.00 25.00 C ATOM 710 CD GLN A 44 8.108 15.482 -15.851 1.00 25.00 C ATOM 711 OE1 GLN A 44 8.533 15.249 -16.982 1.00 25.00 O ATOM 712 NE2 GLN A 44 7.656 16.652 -15.507 1.00 25.00 N ATOM 0 H GLN A 44 7.172 10.706 -15.869 1.00 25.00 H new ATOM 0 HA GLN A 44 8.494 11.913 -13.646 1.00 25.00 H new ATOM 0 HB2 GLN A 44 8.452 12.726 -16.052 1.00 25.00 H new ATOM 0 HB3 GLN A 44 6.759 13.132 -15.852 1.00 25.00 H new ATOM 0 HG2 GLN A 44 7.405 14.705 -14.001 1.00 25.00 H new ATOM 0 HG3 GLN A 44 9.089 14.355 -14.339 1.00 25.00 H new ATOM 0 HE21 GLN A 44 7.312 16.807 -14.560 1.00 25.00 H new ATOM 0 HE22 GLN A 44 7.646 17.414 -16.185 1.00 25.00 H new ATOM 721 N HIS A 45 5.192 12.081 -13.743 1.00 25.00 N ATOM 722 CA HIS A 45 4.019 12.372 -12.923 1.00 25.00 C ATOM 723 C HIS A 45 3.981 11.481 -11.675 1.00 25.00 C ATOM 724 O HIS A 45 3.478 11.849 -10.627 1.00 25.00 O ATOM 725 CB HIS A 45 2.749 12.213 -13.751 1.00 25.00 C ATOM 726 CG HIS A 45 2.478 13.384 -14.648 1.00 25.00 C ATOM 727 ND1 HIS A 45 2.654 13.544 -15.987 1.00 25.00 N flip ATOM 728 CD2 HIS A 45 1.948 14.584 -14.212 1.00 25.00 C flip ATOM 729 CE1 HIS A 45 2.271 14.813 -16.364 1.00 25.00 C flip ATOM 730 NE2 HIS A 45 1.885 15.408 -15.252 1.00 25.00 N flip ATOM 0 H HIS A 45 4.983 11.668 -14.652 1.00 25.00 H new ATOM 0 HA HIS A 45 4.083 13.406 -12.583 1.00 25.00 H new ATOM 0 HB2 HIS A 45 2.829 11.310 -14.357 1.00 25.00 H new ATOM 0 HB3 HIS A 45 1.901 12.073 -13.081 1.00 25.00 H new ATOM 0 HD1 HIS A 45 3.016 12.830 -16.619 1.00 25.00 H new ATOM 0 HD2 HIS A 45 1.639 14.812 -13.202 1.00 25.00 H new ATOM 0 HE1 HIS A 45 2.284 15.232 -17.359 1.00 25.00 H new ATOM 738 N TYR A 46 4.571 10.290 -11.788 1.00 25.00 N ATOM 739 CA TYR A 46 4.672 9.368 -10.657 1.00 25.00 C ATOM 740 C TYR A 46 5.499 9.987 -9.509 1.00 25.00 C ATOM 741 O TYR A 46 5.217 9.759 -8.330 1.00 25.00 O ATOM 742 CB TYR A 46 5.325 8.056 -11.099 1.00 25.00 C ATOM 743 CG TYR A 46 5.306 6.993 -10.028 1.00 25.00 C ATOM 744 CD1 TYR A 46 4.133 6.283 -9.752 1.00 25.00 C ATOM 745 CD2 TYR A 46 6.463 6.717 -9.263 1.00 25.00 C ATOM 746 CE1 TYR A 46 4.112 5.268 -8.757 1.00 25.00 C ATOM 747 CE2 TYR A 46 6.442 5.723 -8.267 1.00 25.00 C ATOM 748 CZ TYR A 46 5.270 5.007 -8.035 1.00 25.00 C ATOM 749 OH TYR A 46 5.248 4.029 -7.081 1.00 25.00 O ATOM 0 H TYR A 46 4.986 9.942 -12.652 1.00 25.00 H new ATOM 0 HA TYR A 46 3.662 9.171 -10.297 1.00 25.00 H new ATOM 0 HB2 TYR A 46 4.810 7.681 -11.983 1.00 25.00 H new ATOM 0 HB3 TYR A 46 6.357 8.251 -11.390 1.00 25.00 H new ATOM 0 HD1 TYR A 46 3.231 6.509 -10.302 1.00 25.00 H new ATOM 0 HD2 TYR A 46 7.370 7.274 -9.445 1.00 25.00 H new ATOM 0 HE1 TYR A 46 3.209 4.708 -8.565 1.00 25.00 H new ATOM 0 HE2 TYR A 46 7.329 5.517 -7.686 1.00 25.00 H new ATOM 0 HH TYR A 46 4.820 3.226 -7.445 1.00 25.00 H new ATOM 759 N GLN A 47 6.491 10.787 -9.862 1.00 25.00 N ATOM 760 CA GLN A 47 7.341 11.428 -8.852 1.00 25.00 C ATOM 761 C GLN A 47 6.542 12.385 -7.989 1.00 25.00 C ATOM 762 O GLN A 47 6.716 12.455 -6.778 1.00 25.00 O ATOM 763 CB GLN A 47 8.502 12.168 -9.503 1.00 25.00 C ATOM 764 CG GLN A 47 9.423 11.284 -10.321 1.00 25.00 C ATOM 765 CD GLN A 47 10.602 12.047 -10.852 1.00 25.00 C ATOM 766 OE1 GLN A 47 10.476 12.868 -11.732 1.00 25.00 O ATOM 767 NE2 GLN A 47 11.758 11.789 -10.319 1.00 25.00 N ATOM 0 H GLN A 47 6.732 11.011 -10.827 1.00 25.00 H new ATOM 0 HA GLN A 47 7.741 10.637 -8.217 1.00 25.00 H new ATOM 0 HB2 GLN A 47 8.103 12.952 -10.147 1.00 25.00 H new ATOM 0 HB3 GLN A 47 9.086 12.661 -8.725 1.00 25.00 H new ATOM 0 HG2 GLN A 47 9.774 10.456 -9.705 1.00 25.00 H new ATOM 0 HG3 GLN A 47 8.867 10.850 -11.152 1.00 25.00 H new ATOM 0 HE21 GLN A 47 11.834 11.092 -9.579 1.00 25.00 H new ATOM 0 HE22 GLN A 47 12.590 12.284 -10.641 1.00 25.00 H new ATOM 776 N GLN A 48 5.622 13.126 -8.611 1.00 25.00 N ATOM 777 CA GLN A 48 4.799 14.096 -7.893 1.00 25.00 C ATOM 778 C GLN A 48 3.939 13.370 -6.848 1.00 25.00 C ATOM 779 O GLN A 48 3.825 13.805 -5.693 1.00 25.00 O ATOM 780 CB GLN A 48 3.892 14.832 -8.875 1.00 25.00 C ATOM 781 CG GLN A 48 3.136 16.025 -8.274 1.00 25.00 C ATOM 782 CD GLN A 48 2.183 16.656 -9.275 1.00 25.00 C ATOM 783 OE1 GLN A 48 2.466 16.739 -10.442 1.00 25.00 O ATOM 784 NE2 GLN A 48 1.021 17.049 -8.797 1.00 25.00 N ATOM 0 H GLN A 48 5.430 13.071 -9.611 1.00 25.00 H new ATOM 0 HA GLN A 48 5.448 14.815 -7.393 1.00 25.00 H new ATOM 0 HB2 GLN A 48 4.495 15.185 -9.712 1.00 25.00 H new ATOM 0 HB3 GLN A 48 3.167 14.126 -9.280 1.00 25.00 H new ATOM 0 HG2 GLN A 48 2.577 15.696 -7.398 1.00 25.00 H new ATOM 0 HG3 GLN A 48 3.851 16.773 -7.933 1.00 25.00 H new ATOM 0 HE21 GLN A 48 0.823 16.960 -7.800 1.00 25.00 H new ATOM 0 HE22 GLN A 48 0.319 17.442 -9.423 1.00 25.00 H new ATOM 793 N TYR A 49 3.392 12.226 -7.236 1.00 25.00 N ATOM 794 CA TYR A 49 2.556 11.421 -6.340 1.00 25.00 C ATOM 795 C TYR A 49 3.375 10.885 -5.148 1.00 25.00 C ATOM 796 O TYR A 49 2.930 10.942 -4.004 1.00 25.00 O ATOM 797 CB TYR A 49 1.940 10.271 -7.117 1.00 25.00 C ATOM 798 CG TYR A 49 0.792 9.606 -6.401 1.00 25.00 C ATOM 799 CD1 TYR A 49 -0.481 10.210 -6.385 1.00 25.00 C ATOM 800 CD2 TYR A 49 0.953 8.362 -5.733 1.00 25.00 C ATOM 801 CE1 TYR A 49 -1.584 9.594 -5.708 1.00 25.00 C ATOM 802 CE2 TYR A 49 -0.146 7.744 -5.056 1.00 25.00 C ATOM 803 CZ TYR A 49 -1.401 8.369 -5.059 1.00 25.00 C ATOM 804 OH TYR A 49 -2.484 7.799 -4.433 1.00 25.00 O ATOM 0 H TYR A 49 3.510 11.829 -8.168 1.00 25.00 H new ATOM 0 HA TYR A 49 1.764 12.054 -5.941 1.00 25.00 H new ATOM 0 HB2 TYR A 49 1.591 10.641 -8.081 1.00 25.00 H new ATOM 0 HB3 TYR A 49 2.710 9.527 -7.321 1.00 25.00 H new ATOM 0 HD1 TYR A 49 -0.628 11.153 -6.891 1.00 25.00 H new ATOM 0 HD2 TYR A 49 1.918 7.876 -5.736 1.00 25.00 H new ATOM 0 HE1 TYR A 49 -2.552 10.074 -5.699 1.00 25.00 H new ATOM 0 HE2 TYR A 49 -0.009 6.802 -4.546 1.00 25.00 H new ATOM 0 HH TYR A 49 -2.216 6.950 -4.024 1.00 25.00 H new ATOM 814 N MET A 50 4.588 10.412 -5.417 1.00 25.00 N ATOM 815 CA MET A 50 5.450 9.906 -4.356 1.00 25.00 C ATOM 816 C MET A 50 5.903 11.019 -3.418 1.00 25.00 C ATOM 817 O MET A 50 5.952 10.854 -2.203 1.00 25.00 O ATOM 818 CB MET A 50 6.667 9.201 -4.932 1.00 25.00 C ATOM 819 CG MET A 50 7.226 8.138 -4.020 1.00 25.00 C ATOM 820 SD MET A 50 6.830 6.456 -4.605 1.00 25.00 S ATOM 821 CE MET A 50 5.006 6.420 -4.516 1.00 25.00 C ATOM 0 H MET A 50 4.993 10.369 -6.352 1.00 25.00 H new ATOM 0 HA MET A 50 4.860 9.191 -3.783 1.00 25.00 H new ATOM 0 HB2 MET A 50 6.398 8.747 -5.886 1.00 25.00 H new ATOM 0 HB3 MET A 50 7.443 9.939 -5.137 1.00 25.00 H new ATOM 0 HG2 MET A 50 8.308 8.252 -3.951 1.00 25.00 H new ATOM 0 HG3 MET A 50 6.826 8.276 -3.015 1.00 25.00 H new ATOM 0 HE1 MET A 50 4.645 5.446 -4.847 1.00 25.00 H new ATOM 0 HE2 MET A 50 4.688 6.594 -3.488 1.00 25.00 H new ATOM 0 HE3 MET A 50 4.595 7.198 -5.160 1.00 25.00 H new ATOM 831 N GLN A 51 6.226 12.177 -3.986 1.00 25.00 N ATOM 832 CA GLN A 51 6.639 13.345 -3.208 1.00 25.00 C ATOM 833 C GLN A 51 5.563 13.770 -2.218 1.00 25.00 C ATOM 834 O GLN A 51 5.852 14.061 -1.053 1.00 25.00 O ATOM 835 CB GLN A 51 6.967 14.491 -4.142 1.00 25.00 C ATOM 836 CG GLN A 51 7.614 15.690 -3.480 1.00 25.00 C ATOM 837 CD GLN A 51 7.838 16.808 -4.465 1.00 25.00 C ATOM 838 OE1 GLN A 51 6.925 17.230 -5.156 1.00 25.00 O ATOM 839 NE2 GLN A 51 9.055 17.308 -4.540 1.00 25.00 N ATOM 0 H GLN A 51 6.210 12.334 -4.994 1.00 25.00 H new ATOM 0 HA GLN A 51 7.526 13.072 -2.636 1.00 25.00 H new ATOM 0 HB2 GLN A 51 7.632 14.124 -4.924 1.00 25.00 H new ATOM 0 HB3 GLN A 51 6.049 14.816 -4.631 1.00 25.00 H new ATOM 0 HG2 GLN A 51 6.982 16.042 -2.665 1.00 25.00 H new ATOM 0 HG3 GLN A 51 8.566 15.395 -3.040 1.00 25.00 H new ATOM 0 HE21 GLN A 51 9.797 16.934 -3.949 1.00 25.00 H new ATOM 0 HE22 GLN A 51 9.255 18.069 -5.189 1.00 25.00 H new ATOM 848 N GLN A 52 4.303 13.759 -2.661 1.00 25.00 N ATOM 849 CA GLN A 52 3.200 14.107 -1.771 1.00 25.00 C ATOM 850 C GLN A 52 3.097 13.105 -0.617 1.00 25.00 C ATOM 851 O GLN A 52 2.942 13.472 0.532 1.00 25.00 O ATOM 852 CB GLN A 52 1.887 14.121 -2.560 1.00 25.00 C ATOM 853 CG GLN A 52 0.719 14.727 -1.797 1.00 25.00 C ATOM 854 CD GLN A 52 0.969 16.178 -1.379 1.00 25.00 C ATOM 855 OE1 GLN A 52 1.398 16.452 -0.269 1.00 25.00 O ATOM 856 NE2 GLN A 52 0.715 17.092 -2.273 1.00 25.00 N ATOM 0 H GLN A 52 4.027 13.517 -3.613 1.00 25.00 H new ATOM 0 HA GLN A 52 3.389 15.097 -1.355 1.00 25.00 H new ATOM 0 HB2 GLN A 52 2.035 14.680 -3.484 1.00 25.00 H new ATOM 0 HB3 GLN A 52 1.633 13.099 -2.843 1.00 25.00 H new ATOM 0 HG2 GLN A 52 -0.176 14.682 -2.417 1.00 25.00 H new ATOM 0 HG3 GLN A 52 0.522 14.127 -0.909 1.00 25.00 H new ATOM 0 HE21 GLN A 52 0.357 16.823 -3.190 1.00 25.00 H new ATOM 0 HE22 GLN A 52 0.874 18.076 -2.056 1.00 25.00 H new ATOM 865 N LEU A 53 3.174 11.824 -0.954 1.00 25.00 N ATOM 866 CA LEU A 53 3.052 10.770 0.059 1.00 25.00 C ATOM 867 C LEU A 53 4.169 10.799 1.078 1.00 25.00 C ATOM 868 O LEU A 53 3.960 10.430 2.234 1.00 25.00 O ATOM 869 CB LEU A 53 3.015 9.393 -0.617 1.00 25.00 C ATOM 870 CG LEU A 53 1.710 8.997 -1.321 1.00 25.00 C ATOM 871 CD1 LEU A 53 1.950 7.740 -2.109 1.00 25.00 C ATOM 872 CD2 LEU A 53 0.576 8.770 -0.306 1.00 25.00 C ATOM 0 H LEU A 53 3.318 11.487 -1.906 1.00 25.00 H new ATOM 0 HA LEU A 53 2.120 10.957 0.593 1.00 25.00 H new ATOM 0 HB2 LEU A 53 3.821 9.354 -1.350 1.00 25.00 H new ATOM 0 HB3 LEU A 53 3.235 8.639 0.139 1.00 25.00 H new ATOM 0 HG LEU A 53 1.405 9.807 -1.984 1.00 25.00 H new ATOM 0 HD11 LEU A 53 1.030 7.447 -2.615 1.00 25.00 H new ATOM 0 HD12 LEU A 53 2.730 7.918 -2.849 1.00 25.00 H new ATOM 0 HD13 LEU A 53 2.264 6.943 -1.435 1.00 25.00 H new ATOM 0 HD21 LEU A 53 -0.335 8.491 -0.835 1.00 25.00 H new ATOM 0 HD22 LEU A 53 0.857 7.971 0.380 1.00 25.00 H new ATOM 0 HD23 LEU A 53 0.402 9.687 0.257 1.00 25.00 H new ATOM 884 N TYR A 54 5.334 11.279 0.691 1.00 25.00 N ATOM 885 CA TYR A 54 6.460 11.422 1.590 1.00 25.00 C ATOM 886 C TYR A 54 6.145 12.458 2.665 1.00 25.00 C ATOM 887 O TYR A 54 6.481 12.258 3.845 1.00 25.00 O ATOM 888 CB TYR A 54 7.703 11.818 0.776 1.00 25.00 C ATOM 889 CG TYR A 54 8.641 12.782 1.456 1.00 25.00 C ATOM 890 CD1 TYR A 54 9.614 12.321 2.353 1.00 25.00 C ATOM 891 CD2 TYR A 54 8.559 14.153 1.197 1.00 25.00 C ATOM 892 CE1 TYR A 54 10.515 13.238 2.980 1.00 25.00 C ATOM 893 CE2 TYR A 54 9.441 15.074 1.810 1.00 25.00 C ATOM 894 CZ TYR A 54 10.421 14.610 2.695 1.00 25.00 C ATOM 895 OH TYR A 54 11.283 15.516 3.261 1.00 25.00 O ATOM 0 H TYR A 54 5.527 11.583 -0.263 1.00 25.00 H new ATOM 0 HA TYR A 54 6.658 10.476 2.093 1.00 25.00 H new ATOM 0 HB2 TYR A 54 8.257 10.913 0.527 1.00 25.00 H new ATOM 0 HB3 TYR A 54 7.375 12.260 -0.165 1.00 25.00 H new ATOM 0 HD1 TYR A 54 9.684 11.266 2.572 1.00 25.00 H new ATOM 0 HD2 TYR A 54 7.806 14.517 0.514 1.00 25.00 H new ATOM 0 HE1 TYR A 54 11.264 12.877 3.669 1.00 25.00 H new ATOM 0 HE2 TYR A 54 9.358 16.129 1.596 1.00 25.00 H new ATOM 0 HH TYR A 54 11.065 16.417 2.944 1.00 25.00 H new ATOM 905 N GLN A 55 5.467 13.536 2.293 1.00 25.00 N ATOM 906 CA GLN A 55 5.078 14.552 3.277 1.00 25.00 C ATOM 907 C GLN A 55 4.002 13.997 4.228 1.00 25.00 C ATOM 908 O GLN A 55 4.003 14.295 5.409 1.00 25.00 O ATOM 909 CB GLN A 55 4.565 15.810 2.568 1.00 25.00 C ATOM 910 CG GLN A 55 5.539 16.377 1.556 1.00 25.00 C ATOM 911 CD GLN A 55 5.120 17.739 1.031 1.00 25.00 C ATOM 912 OE1 GLN A 55 5.854 18.704 1.133 1.00 25.00 O ATOM 913 NE2 GLN A 55 3.963 17.798 0.418 1.00 25.00 N ATOM 0 H GLN A 55 5.176 13.733 1.335 1.00 25.00 H new ATOM 0 HA GLN A 55 5.956 14.817 3.866 1.00 25.00 H new ATOM 0 HB2 GLN A 55 3.627 15.576 2.065 1.00 25.00 H new ATOM 0 HB3 GLN A 55 4.345 16.573 3.315 1.00 25.00 H new ATOM 0 HG2 GLN A 55 6.525 16.457 2.014 1.00 25.00 H new ATOM 0 HG3 GLN A 55 5.631 15.684 0.720 1.00 25.00 H new ATOM 0 HE21 GLN A 55 3.377 16.966 0.354 1.00 25.00 H new ATOM 0 HE22 GLN A 55 3.649 18.676 0.005 1.00 25.00 H new ATOM 922 N VAL A 56 3.100 13.182 3.701 1.00 25.00 N ATOM 923 CA VAL A 56 2.060 12.575 4.520 1.00 25.00 C ATOM 924 C VAL A 56 2.699 11.581 5.492 1.00 25.00 C ATOM 925 O VAL A 56 2.313 11.493 6.648 1.00 25.00 O ATOM 926 CB VAL A 56 0.974 11.833 3.638 1.00 25.00 C ATOM 927 CG1 VAL A 56 -0.070 11.153 4.553 1.00 25.00 C ATOM 928 CG2 VAL A 56 0.266 12.827 2.704 1.00 25.00 C ATOM 0 H VAL A 56 3.067 12.926 2.714 1.00 25.00 H new ATOM 0 HA VAL A 56 1.555 13.370 5.069 1.00 25.00 H new ATOM 0 HB VAL A 56 1.477 11.078 3.033 1.00 25.00 H new ATOM 0 HG11 VAL A 56 -0.814 10.644 3.940 1.00 25.00 H new ATOM 0 HG12 VAL A 56 0.428 10.427 5.196 1.00 25.00 H new ATOM 0 HG13 VAL A 56 -0.561 11.907 5.168 1.00 25.00 H new ATOM 0 HG21 VAL A 56 -0.477 12.299 2.106 1.00 25.00 H new ATOM 0 HG22 VAL A 56 -0.227 13.596 3.298 1.00 25.00 H new ATOM 0 HG23 VAL A 56 0.999 13.292 2.045 1.00 25.00 H new ATOM 938 N GLN A 57 3.711 10.868 5.052 1.00 25.00 N ATOM 939 CA GLN A 57 4.438 9.954 5.941 1.00 25.00 C ATOM 940 C GLN A 57 5.109 10.730 7.046 1.00 25.00 C ATOM 941 O GLN A 57 5.003 10.363 8.224 1.00 25.00 O ATOM 942 CB GLN A 57 5.492 9.174 5.168 1.00 25.00 C ATOM 943 CG GLN A 57 4.923 7.989 4.378 1.00 25.00 C ATOM 944 CD GLN A 57 5.740 6.724 4.548 1.00 25.00 C ATOM 945 OE1 GLN A 57 6.938 6.743 4.398 1.00 25.00 O ATOM 946 NE2 GLN A 57 5.099 5.646 4.899 1.00 25.00 N ATOM 0 H GLN A 57 4.057 10.894 4.093 1.00 25.00 H new ATOM 0 HA GLN A 57 3.719 9.254 6.367 1.00 25.00 H new ATOM 0 HB2 GLN A 57 5.999 9.849 4.479 1.00 25.00 H new ATOM 0 HB3 GLN A 57 6.245 8.807 5.866 1.00 25.00 H new ATOM 0 HG2 GLN A 57 3.899 7.801 4.701 1.00 25.00 H new ATOM 0 HG3 GLN A 57 4.881 8.250 3.320 1.00 25.00 H new ATOM 0 HE21 GLN A 57 4.086 5.670 5.016 1.00 25.00 H new ATOM 0 HE22 GLN A 57 5.610 4.778 5.057 1.00 25.00 H new ATOM 955 N LEU A 58 5.759 11.825 6.691 1.00 25.00 N ATOM 956 CA LEU A 58 6.438 12.663 7.674 1.00 25.00 C ATOM 957 C LEU A 58 5.453 13.266 8.649 1.00 25.00 C ATOM 958 O LEU A 58 5.750 13.359 9.829 1.00 25.00 O ATOM 959 CB LEU A 58 7.147 13.808 6.991 1.00 25.00 C ATOM 960 CG LEU A 58 8.530 13.544 6.366 1.00 25.00 C ATOM 961 CD1 LEU A 58 9.013 14.912 5.898 1.00 25.00 C ATOM 962 CD2 LEU A 58 9.510 12.952 7.372 1.00 25.00 C ATOM 0 H LEU A 58 5.833 12.158 5.730 1.00 25.00 H new ATOM 0 HA LEU A 58 7.147 12.024 8.201 1.00 25.00 H new ATOM 0 HB2 LEU A 58 6.492 14.182 6.203 1.00 25.00 H new ATOM 0 HB3 LEU A 58 7.260 14.611 7.720 1.00 25.00 H new ATOM 0 HG LEU A 58 8.464 12.818 5.556 1.00 25.00 H new ATOM 0 HD11 LEU A 58 9.996 14.813 5.438 1.00 25.00 H new ATOM 0 HD12 LEU A 58 8.311 15.316 5.169 1.00 25.00 H new ATOM 0 HD13 LEU A 58 9.078 15.587 6.752 1.00 25.00 H new ATOM 0 HD21 LEU A 58 10.471 12.783 6.887 1.00 25.00 H new ATOM 0 HD22 LEU A 58 9.640 13.644 8.204 1.00 25.00 H new ATOM 0 HD23 LEU A 58 9.120 12.005 7.746 1.00 25.00 H new ATOM 974 N ALA A 59 4.266 13.617 8.181 1.00 25.00 N ATOM 975 CA ALA A 59 3.223 14.182 9.052 1.00 25.00 C ATOM 976 C ALA A 59 2.932 13.196 10.186 1.00 25.00 C ATOM 977 O ALA A 59 2.831 13.580 11.335 1.00 25.00 O ATOM 978 CB ALA A 59 1.948 14.484 8.233 1.00 25.00 C ATOM 0 H ALA A 59 3.991 13.524 7.203 1.00 25.00 H new ATOM 0 HA ALA A 59 3.569 15.122 9.482 1.00 25.00 H new ATOM 0 HB1 ALA A 59 1.184 14.901 8.889 1.00 25.00 H new ATOM 0 HB2 ALA A 59 2.182 15.201 7.446 1.00 25.00 H new ATOM 0 HB3 ALA A 59 1.577 13.562 7.785 1.00 25.00 H new ATOM 984 N GLN A 60 2.763 11.909 9.837 1.00 25.00 N ATOM 985 CA GLN A 60 2.485 10.917 10.835 1.00 25.00 C ATOM 986 C GLN A 60 3.660 10.769 11.784 1.00 25.00 C ATOM 987 O GLN A 60 3.467 10.602 12.988 1.00 25.00 O ATOM 988 CB GLN A 60 2.161 9.557 10.202 1.00 25.00 C ATOM 989 CG GLN A 60 0.894 9.592 9.345 1.00 25.00 C ATOM 990 CD GLN A 60 0.451 8.201 8.934 1.00 25.00 C ATOM 991 OE1 GLN A 60 0.043 7.414 9.761 1.00 25.00 O ATOM 992 NE2 GLN A 60 0.511 7.923 7.673 1.00 25.00 N ATOM 0 H GLN A 60 2.817 11.556 8.882 1.00 25.00 H new ATOM 0 HA GLN A 60 1.611 11.254 11.392 1.00 25.00 H new ATOM 0 HB2 GLN A 60 3.002 9.237 9.587 1.00 25.00 H new ATOM 0 HB3 GLN A 60 2.042 8.813 10.990 1.00 25.00 H new ATOM 0 HG2 GLN A 60 0.093 10.079 9.901 1.00 25.00 H new ATOM 0 HG3 GLN A 60 1.075 10.194 8.454 1.00 25.00 H new ATOM 0 HE21 GLN A 60 0.862 8.618 7.014 1.00 25.00 H new ATOM 0 HE22 GLN A 60 0.207 7.009 7.337 1.00 25.00 H new ATOM 1001 N GLN A 61 4.880 10.854 11.261 1.00 25.00 N ATOM 1002 CA GLN A 61 6.056 10.774 12.121 1.00 25.00 C ATOM 1003 C GLN A 61 6.107 11.958 13.086 1.00 25.00 C ATOM 1004 O GLN A 61 6.427 11.791 14.245 1.00 25.00 O ATOM 1005 CB GLN A 61 7.369 10.735 11.334 1.00 25.00 C ATOM 1006 CG GLN A 61 7.489 9.516 10.428 1.00 25.00 C ATOM 1007 CD GLN A 61 8.936 9.083 10.210 1.00 25.00 C ATOM 1008 OE1 GLN A 61 9.608 9.762 9.311 1.00 25.00 O flip ATOM 1009 NE2 GLN A 61 9.400 8.133 10.805 1.00 25.00 N flip ATOM 0 H GLN A 61 5.078 10.976 10.268 1.00 25.00 H new ATOM 0 HA GLN A 61 5.957 9.838 12.670 1.00 25.00 H new ATOM 0 HB2 GLN A 61 7.450 11.638 10.730 1.00 25.00 H new ATOM 0 HB3 GLN A 61 8.205 10.744 12.033 1.00 25.00 H new ATOM 0 HG2 GLN A 61 6.928 8.689 10.863 1.00 25.00 H new ATOM 0 HG3 GLN A 61 7.032 9.739 9.464 1.00 25.00 H new ATOM 0 HE21 GLN A 61 8.835 7.638 11.495 1.00 25.00 H new ATOM 0 HE22 GLN A 61 10.355 7.829 10.615 1.00 25.00 H new ATOM 1018 N GLN A 62 5.811 13.134 12.599 1.00 25.00 N ATOM 1019 CA GLN A 62 5.914 14.340 13.405 1.00 25.00 C ATOM 1020 C GLN A 62 4.829 14.387 14.439 1.00 25.00 C ATOM 1021 O GLN A 62 5.046 14.882 15.549 1.00 25.00 O ATOM 1022 CB GLN A 62 5.836 15.592 12.540 1.00 25.00 C ATOM 1023 CG GLN A 62 7.058 15.781 11.711 1.00 25.00 C ATOM 1024 CD GLN A 62 7.237 17.210 11.226 1.00 25.00 C ATOM 1025 OE1 GLN A 62 6.287 17.877 10.836 1.00 25.00 O ATOM 1026 NE2 GLN A 62 8.463 17.680 11.255 1.00 25.00 N ATOM 0 H GLN A 62 5.494 13.292 11.642 1.00 25.00 H new ATOM 0 HA GLN A 62 6.884 14.313 13.901 1.00 25.00 H new ATOM 0 HB2 GLN A 62 4.964 15.528 11.889 1.00 25.00 H new ATOM 0 HB3 GLN A 62 5.694 16.464 13.178 1.00 25.00 H new ATOM 0 HG2 GLN A 62 7.932 15.489 12.293 1.00 25.00 H new ATOM 0 HG3 GLN A 62 7.011 15.115 10.850 1.00 25.00 H new ATOM 0 HE21 GLN A 62 9.227 17.092 11.587 1.00 25.00 H new ATOM 0 HE22 GLN A 62 8.651 18.633 10.945 1.00 25.00 H new ATOM 1035 N ALA A 63 3.709 13.785 14.124 1.00 25.00 N ATOM 1036 CA ALA A 63 2.601 13.661 15.061 1.00 25.00 C ATOM 1037 C ALA A 63 3.023 12.815 16.291 1.00 25.00 C ATOM 1038 O ALA A 63 2.542 13.024 17.387 1.00 25.00 O ATOM 1039 CB ALA A 63 1.388 13.027 14.351 1.00 25.00 C ATOM 0 H ALA A 63 3.532 13.364 13.212 1.00 25.00 H new ATOM 0 HA ALA A 63 2.321 14.653 15.415 1.00 25.00 H new ATOM 0 HB1 ALA A 63 0.561 12.936 15.055 1.00 25.00 H new ATOM 0 HB2 ALA A 63 1.085 13.658 13.515 1.00 25.00 H new ATOM 0 HB3 ALA A 63 1.659 12.039 13.980 1.00 25.00 H new ATOM 1045 N ALA A 64 3.944 11.880 16.086 1.00 25.00 N ATOM 1046 CA ALA A 64 4.445 11.035 17.173 1.00 25.00 C ATOM 1047 C ALA A 64 5.698 11.616 17.826 1.00 25.00 C ATOM 1048 O ALA A 64 5.936 11.430 19.017 1.00 25.00 O ATOM 1049 CB ALA A 64 4.755 9.636 16.642 1.00 25.00 C ATOM 0 H ALA A 64 4.362 11.685 15.176 1.00 25.00 H new ATOM 0 HA ALA A 64 3.664 10.987 17.932 1.00 25.00 H new ATOM 0 HB1 ALA A 64 5.127 9.012 17.455 1.00 25.00 H new ATOM 0 HB2 ALA A 64 3.848 9.193 16.231 1.00 25.00 H new ATOM 0 HB3 ALA A 64 5.512 9.703 15.860 1.00 25.00 H new ATOM 1055 N LEU A 65 6.546 12.268 17.025 1.00 25.00 N ATOM 1056 CA LEU A 65 7.817 12.816 17.508 1.00 25.00 C ATOM 1057 C LEU A 65 7.598 13.987 18.417 1.00 25.00 C ATOM 1058 O LEU A 65 8.317 14.168 19.391 1.00 25.00 O ATOM 1059 CB LEU A 65 8.690 13.298 16.336 1.00 25.00 C ATOM 1060 CG LEU A 65 9.455 12.238 15.553 1.00 25.00 C ATOM 1061 CD1 LEU A 65 10.036 12.864 14.287 1.00 25.00 C ATOM 1062 CD2 LEU A 65 10.593 11.622 16.368 1.00 25.00 C ATOM 0 H LEU A 65 6.373 12.430 16.033 1.00 25.00 H new ATOM 0 HA LEU A 65 8.315 12.011 18.049 1.00 25.00 H new ATOM 0 HB2 LEU A 65 8.050 13.837 15.638 1.00 25.00 H new ATOM 0 HB3 LEU A 65 9.412 14.016 16.726 1.00 25.00 H new ATOM 0 HG LEU A 65 8.751 11.443 15.307 1.00 25.00 H new ATOM 0 HD11 LEU A 65 10.584 12.107 13.725 1.00 25.00 H new ATOM 0 HD12 LEU A 65 9.227 13.258 13.672 1.00 25.00 H new ATOM 0 HD13 LEU A 65 10.712 13.674 14.559 1.00 25.00 H new ATOM 0 HD21 LEU A 65 11.107 10.873 15.766 1.00 25.00 H new ATOM 0 HD22 LEU A 65 11.298 12.402 16.656 1.00 25.00 H new ATOM 0 HD23 LEU A 65 10.186 11.152 17.263 1.00 25.00 H new ATOM 1074 N GLN A 66 6.648 14.834 18.025 1.00 25.00 N ATOM 1075 CA GLN A 66 6.224 16.001 18.813 1.00 25.00 C ATOM 1076 C GLN A 66 7.383 16.953 19.221 1.00 25.00 C ATOM 1077 O GLN A 66 7.282 17.709 20.182 1.00 25.00 O ATOM 1078 CB GLN A 66 5.449 15.481 20.039 1.00 25.00 C ATOM 1079 CG GLN A 66 4.183 14.688 19.620 1.00 25.00 C ATOM 1080 CD GLN A 66 3.289 14.330 20.792 1.00 25.00 C ATOM 1081 OE1 GLN A 66 3.745 13.842 21.808 1.00 25.00 O ATOM 1082 NE2 GLN A 66 2.010 14.587 20.663 1.00 25.00 N ATOM 0 H GLN A 66 6.143 14.733 17.144 1.00 25.00 H new ATOM 0 HA GLN A 66 5.586 16.624 18.186 1.00 25.00 H new ATOM 0 HB2 GLN A 66 6.099 14.841 20.636 1.00 25.00 H new ATOM 0 HB3 GLN A 66 5.160 16.321 20.671 1.00 25.00 H new ATOM 0 HG2 GLN A 66 3.613 15.279 18.903 1.00 25.00 H new ATOM 0 HG3 GLN A 66 4.487 13.774 19.110 1.00 25.00 H new ATOM 0 HE21 GLN A 66 1.657 14.997 19.798 1.00 25.00 H new ATOM 0 HE22 GLN A 66 1.368 14.377 21.427 1.00 25.00 H new ATOM 1091 N LYS A 67 8.459 16.909 18.448 1.00 25.00 N ATOM 1092 CA LYS A 67 9.674 17.712 18.666 1.00 25.00 C ATOM 1093 C LYS A 67 10.288 17.550 20.067 1.00 25.00 C ATOM 1094 O LYS A 67 10.844 18.508 20.649 1.00 25.00 O ATOM 1095 CB LYS A 67 9.405 19.185 18.337 1.00 25.00 C ATOM 1096 CG LYS A 67 10.676 19.967 17.949 1.00 25.00 C ATOM 1097 CD LYS A 67 10.434 21.478 17.881 1.00 25.00 C ATOM 1098 CE LYS A 67 10.233 22.067 19.308 1.00 25.00 C ATOM 1099 NZ LYS A 67 10.010 23.554 19.269 1.00 25.00 N ATOM 0 H LYS A 67 8.522 16.303 17.630 1.00 25.00 H new ATOM 0 HA LYS A 67 10.427 17.324 17.980 1.00 25.00 H new ATOM 0 HB2 LYS A 67 8.688 19.242 17.518 1.00 25.00 H new ATOM 0 HB3 LYS A 67 8.942 19.664 19.200 1.00 25.00 H new ATOM 0 HG2 LYS A 67 11.462 19.760 18.675 1.00 25.00 H new ATOM 0 HG3 LYS A 67 11.035 19.615 16.982 1.00 25.00 H new ATOM 0 HD2 LYS A 67 11.280 21.966 17.397 1.00 25.00 H new ATOM 0 HD3 LYS A 67 9.555 21.684 17.270 1.00 25.00 H new ATOM 0 HE2 LYS A 67 9.380 21.583 19.785 1.00 25.00 H new ATOM 0 HE3 LYS A 67 11.108 21.846 19.920 1.00 25.00 H new ATOM 0 HZ1 LYS A 67 9.880 23.911 20.237 1.00 25.00 H new ATOM 0 HZ2 LYS A 67 10.835 24.017 18.837 1.00 25.00 H new ATOM 0 HZ3 LYS A 67 9.161 23.763 18.706 1.00 25.00 H new ATOM 1113 N GLN A 68 10.210 16.342 20.591 1.00 25.00 N ATOM 1114 CA GLN A 68 10.848 16.024 21.878 1.00 25.00 C ATOM 1115 C GLN A 68 12.345 15.768 21.617 1.00 25.00 C ATOM 1116 O GLN A 68 12.820 14.648 21.469 1.00 25.00 O ATOM 1117 CB GLN A 68 10.182 14.784 22.491 1.00 25.00 C ATOM 1118 CG GLN A 68 8.683 14.999 22.854 1.00 25.00 C ATOM 1119 CD GLN A 68 8.050 13.780 23.484 1.00 25.00 C ATOM 1120 OE1 GLN A 68 8.430 12.654 23.198 1.00 25.00 O ATOM 1121 NE2 GLN A 68 7.107 14.002 24.363 1.00 25.00 N ATOM 0 H GLN A 68 9.717 15.561 20.158 1.00 25.00 H new ATOM 0 HA GLN A 68 10.735 16.850 22.581 1.00 25.00 H new ATOM 0 HB2 GLN A 68 10.262 13.954 21.789 1.00 25.00 H new ATOM 0 HB3 GLN A 68 10.727 14.495 23.390 1.00 25.00 H new ATOM 0 HG2 GLN A 68 8.598 15.842 23.540 1.00 25.00 H new ATOM 0 HG3 GLN A 68 8.131 15.264 21.953 1.00 25.00 H new ATOM 0 HE21 GLN A 68 6.820 14.958 24.572 1.00 25.00 H new ATOM 0 HE22 GLN A 68 6.659 13.219 24.839 1.00 25.00 H new ATOM 1130 N GLN A 69 13.104 16.858 21.457 1.00 25.00 N ATOM 1131 CA GLN A 69 14.521 16.761 21.061 1.00 25.00 C ATOM 1132 C GLN A 69 15.390 16.168 22.156 1.00 25.00 C ATOM 1133 O GLN A 69 15.724 16.752 23.160 1.00 25.00 O ATOM 1134 CB GLN A 69 15.061 18.137 20.599 1.00 25.00 C ATOM 1135 CG GLN A 69 14.450 18.610 19.256 1.00 25.00 C ATOM 1136 CD GLN A 69 14.838 17.653 18.140 1.00 25.00 C ATOM 1137 OE1 GLN A 69 14.067 16.889 17.635 1.00 25.00 O ATOM 1138 NE2 GLN A 69 16.068 17.766 17.670 1.00 25.00 N ATOM 1139 OXT GLN A 69 15.821 14.969 21.867 1.00 25.00 O ATOM 0 H GLN A 69 12.768 17.811 21.593 1.00 25.00 H new ATOM 0 HA GLN A 69 14.570 16.073 20.217 1.00 25.00 H new ATOM 0 HB2 GLN A 69 14.851 18.880 21.368 1.00 25.00 H new ATOM 0 HB3 GLN A 69 16.145 18.080 20.498 1.00 25.00 H new ATOM 0 HG2 GLN A 69 13.364 18.662 19.340 1.00 25.00 H new ATOM 0 HG3 GLN A 69 14.801 19.615 19.022 1.00 25.00 H new ATOM 0 HE21 GLN A 69 16.722 18.418 18.103 1.00 25.00 H new ATOM 0 HE22 GLN A 69 16.364 17.201 16.874 1.00 25.00 H new TER 1149 GLN A 69