USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 874 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 26 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 39 THR OG1 : rot 180:sc= 0.47 USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.00221 USER MOD Single : A 6 THR OG1 : rot -43:sc= 0.395 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.0174 K(o=-0.017,f=-0.6) USER MOD Single : A 12 ASN : amide:sc= -0.457 X(o=-0.46,f=-0.33) USER MOD Single : A 19 ASN : amide:sc= 0.893 K(o=0.89,f=-1.8) USER MOD Single : A 24 ASN : amide:sc= 1.19 K(o=1.2,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.0786 X(o=-0.079,f=-0.43) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.59 K(o=-0.59,f=-1.6) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0.865 K(o=0.87,f=-0.025) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= 0.378 K(o=0.38,f=-4.8!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.0217 X(o=-0.022,f=-0.34) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 179:sc= 1.23 (180deg=1.21) USER MOD Single : A 70 LYS NZ :NH3+ 157:sc= 1.24 (180deg=0.577) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HE2:sc= 0.265 K(o=0.26,f=-4.9!) USER MOD Single : A 77 ASN : amide:sc= 1.42 K(o=1.4,f=-0.82) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ -133:sc= 0.0814 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0828) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot -13:sc= 0.588 USER MOD Single : A 97 SER OG : rot 69:sc= 0.337 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 180:sc= -0.11 USER MOD Single : A 105 LYS NZ :NH3+ 152:sc= 1.29 (180deg=0.961) USER MOD Single : A 108 HIS : no HD1:sc=-0.00995 X(o=-0.0099,f=-0.0099) USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -18.274 -9.889 5.613 1.00 0.00 N ATOM 2 CA GLU A 1 -18.661 -10.259 7.002 1.00 0.00 C ATOM 3 C GLU A 1 -17.708 -11.320 7.565 1.00 0.00 C ATOM 4 O GLU A 1 -16.889 -11.007 8.430 1.00 0.00 O ATOM 5 CB GLU A 1 -20.145 -10.666 7.088 1.00 0.00 C ATOM 6 CG GLU A 1 -20.617 -10.836 8.537 1.00 0.00 C ATOM 7 CD GLU A 1 -22.125 -11.131 8.594 1.00 0.00 C ATOM 8 OE1 GLU A 1 -22.516 -12.323 8.550 1.00 0.00 O ATOM 9 OE2 GLU A 1 -22.931 -10.173 8.685 1.00 0.00 O ATOM 0 H1 GLU A 1 -18.931 -9.170 5.249 1.00 0.00 H new ATOM 0 H2 GLU A 1 -17.307 -9.506 5.612 1.00 0.00 H new ATOM 0 H3 GLU A 1 -18.313 -10.732 5.005 1.00 0.00 H new ATOM 0 HA GLU A 1 -18.560 -9.379 7.637 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -20.756 -9.910 6.595 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -20.296 -11.600 6.547 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -20.066 -11.649 9.010 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -20.398 -9.931 9.103 1.00 0.00 H new ATOM 18 N GLU A 2 -17.764 -12.560 7.064 1.00 0.00 N ATOM 19 CA GLU A 2 -16.729 -13.589 7.290 1.00 0.00 C ATOM 20 C GLU A 2 -15.388 -13.214 6.602 1.00 0.00 C ATOM 21 O GLU A 2 -15.285 -12.175 5.940 1.00 0.00 O ATOM 22 CB GLU A 2 -17.285 -14.952 6.820 1.00 0.00 C ATOM 23 CG GLU A 2 -16.697 -16.152 7.579 1.00 0.00 C ATOM 24 CD GLU A 2 -17.392 -17.465 7.168 1.00 0.00 C ATOM 25 OE1 GLU A 2 -16.955 -18.103 6.179 1.00 0.00 O ATOM 26 OE2 GLU A 2 -18.373 -17.876 7.836 1.00 0.00 O ATOM 0 H GLU A 2 -18.536 -12.886 6.483 1.00 0.00 H new ATOM 0 HA GLU A 2 -16.496 -13.655 8.353 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -18.368 -14.953 6.939 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -17.081 -15.071 5.756 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -15.628 -16.225 7.378 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -16.810 -15.998 8.652 1.00 0.00 H new ATOM 33 N LYS A 3 -14.353 -14.058 6.740 1.00 0.00 N ATOM 34 CA LYS A 3 -12.993 -13.863 6.180 1.00 0.00 C ATOM 35 C LYS A 3 -12.304 -12.577 6.668 1.00 0.00 C ATOM 36 O LYS A 3 -11.597 -11.883 5.937 1.00 0.00 O ATOM 37 CB LYS A 3 -12.995 -14.006 4.650 1.00 0.00 C ATOM 38 CG LYS A 3 -13.660 -15.304 4.164 1.00 0.00 C ATOM 39 CD LYS A 3 -13.576 -15.420 2.637 1.00 0.00 C ATOM 40 CE LYS A 3 -14.288 -16.693 2.163 1.00 0.00 C ATOM 41 NZ LYS A 3 -14.247 -16.824 0.683 1.00 0.00 N ATOM 0 H LYS A 3 -14.437 -14.930 7.263 1.00 0.00 H new ATOM 0 HA LYS A 3 -12.374 -14.668 6.576 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -13.514 -13.153 4.213 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -11.968 -13.974 4.287 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -13.173 -16.163 4.626 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -14.704 -15.323 4.478 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -14.032 -14.545 2.173 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -12.532 -15.440 2.323 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -13.818 -17.565 2.619 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -15.325 -16.677 2.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -14.738 -17.696 0.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -14.717 -16.004 0.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -13.258 -16.864 0.365 1.00 0.00 H new ATOM 55 N TYR A 4 -12.509 -12.298 7.953 1.00 0.00 N ATOM 56 CA TYR A 4 -11.871 -11.254 8.767 1.00 0.00 C ATOM 57 C TYR A 4 -10.325 -11.285 8.813 1.00 0.00 C ATOM 58 O TYR A 4 -9.713 -10.333 9.295 1.00 0.00 O ATOM 59 CB TYR A 4 -12.427 -11.378 10.196 1.00 0.00 C ATOM 60 CG TYR A 4 -11.870 -12.561 10.982 1.00 0.00 C ATOM 61 CD1 TYR A 4 -12.224 -13.887 10.647 1.00 0.00 C ATOM 62 CD2 TYR A 4 -10.958 -12.327 12.032 1.00 0.00 C ATOM 63 CE1 TYR A 4 -11.676 -14.968 11.365 1.00 0.00 C ATOM 64 CE2 TYR A 4 -10.406 -13.406 12.748 1.00 0.00 C ATOM 65 CZ TYR A 4 -10.765 -14.731 12.419 1.00 0.00 C ATOM 66 OH TYR A 4 -10.228 -15.769 13.117 1.00 0.00 O ATOM 0 H TYR A 4 -13.179 -12.837 8.501 1.00 0.00 H new ATOM 0 HA TYR A 4 -12.110 -10.302 8.292 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -12.208 -10.459 10.740 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -13.512 -11.468 10.145 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -12.916 -14.072 9.839 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -10.682 -11.315 12.288 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -11.953 -15.980 11.109 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -9.707 -13.220 13.550 1.00 0.00 H new ATOM 0 HH TYR A 4 -9.622 -15.422 13.804 1.00 0.00 H new ATOM 76 N THR A 5 -9.691 -12.360 8.336 1.00 0.00 N ATOM 77 CA THR A 5 -8.235 -12.595 8.344 1.00 0.00 C ATOM 78 C THR A 5 -7.768 -13.202 7.009 1.00 0.00 C ATOM 79 O THR A 5 -8.585 -13.677 6.215 1.00 0.00 O ATOM 80 CB THR A 5 -7.840 -13.469 9.550 1.00 0.00 C ATOM 81 OG1 THR A 5 -6.434 -13.554 9.644 1.00 0.00 O ATOM 82 CG2 THR A 5 -8.380 -14.900 9.483 1.00 0.00 C ATOM 0 H THR A 5 -10.202 -13.133 7.910 1.00 0.00 H new ATOM 0 HA THR A 5 -7.725 -11.638 8.452 1.00 0.00 H new ATOM 0 HB THR A 5 -8.282 -12.980 10.418 1.00 0.00 H new ATOM 0 HG1 THR A 5 -6.191 -14.110 10.414 1.00 0.00 H new ATOM 0 HG21 THR A 5 -8.059 -15.452 10.367 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.469 -14.877 9.445 1.00 0.00 H new ATOM 0 HG23 THR A 5 -7.996 -15.392 8.589 1.00 0.00 H new ATOM 90 N THR A 6 -6.459 -13.170 6.738 1.00 0.00 N ATOM 91 CA THR A 6 -5.862 -13.390 5.403 1.00 0.00 C ATOM 92 C THR A 6 -4.724 -14.429 5.401 1.00 0.00 C ATOM 93 O THR A 6 -3.868 -14.431 4.513 1.00 0.00 O ATOM 94 CB THR A 6 -5.468 -12.029 4.789 1.00 0.00 C ATOM 95 OG1 THR A 6 -5.136 -12.147 3.424 1.00 0.00 O ATOM 96 CG2 THR A 6 -4.306 -11.327 5.496 1.00 0.00 C ATOM 0 H THR A 6 -5.760 -12.986 7.457 1.00 0.00 H new ATOM 0 HA THR A 6 -6.615 -13.844 4.760 1.00 0.00 H new ATOM 0 HB THR A 6 -6.361 -11.418 4.920 1.00 0.00 H new ATOM 0 HG1 THR A 6 -4.578 -12.941 3.291 1.00 0.00 H new ATOM 0 HG21 THR A 6 -4.097 -10.380 4.999 1.00 0.00 H new ATOM 0 HG22 THR A 6 -4.573 -11.140 6.536 1.00 0.00 H new ATOM 0 HG23 THR A 6 -3.420 -11.961 5.457 1.00 0.00 H new ATOM 104 N LYS A 7 -4.710 -15.332 6.393 1.00 0.00 N ATOM 105 CA LYS A 7 -3.786 -16.476 6.478 1.00 0.00 C ATOM 106 C LYS A 7 -3.896 -17.434 5.278 1.00 0.00 C ATOM 107 O LYS A 7 -4.836 -18.221 5.179 1.00 0.00 O ATOM 108 CB LYS A 7 -3.893 -17.202 7.841 1.00 0.00 C ATOM 109 CG LYS A 7 -5.270 -17.280 8.543 1.00 0.00 C ATOM 110 CD LYS A 7 -6.407 -17.977 7.780 1.00 0.00 C ATOM 111 CE LYS A 7 -6.113 -19.469 7.561 1.00 0.00 C ATOM 112 NZ LYS A 7 -7.021 -20.053 6.542 1.00 0.00 N ATOM 0 H LYS A 7 -5.358 -15.287 7.180 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.779 -16.063 6.421 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.538 -18.223 7.699 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.200 -16.716 8.528 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.136 -17.795 9.494 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -5.590 -16.264 8.773 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -7.339 -17.867 8.335 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -6.551 -17.489 6.816 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.078 -19.595 7.244 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -6.226 -20.006 8.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -6.799 -21.061 6.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -8.007 -19.953 6.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -6.894 -19.555 5.638 1.00 0.00 H new ATOM 126 N TYR A 8 -2.895 -17.417 4.399 1.00 0.00 N ATOM 127 CA TYR A 8 -2.765 -18.346 3.268 1.00 0.00 C ATOM 128 C TYR A 8 -1.301 -18.775 3.114 1.00 0.00 C ATOM 129 O TYR A 8 -0.412 -17.926 3.109 1.00 0.00 O ATOM 130 CB TYR A 8 -3.273 -17.683 1.975 1.00 0.00 C ATOM 131 CG TYR A 8 -4.711 -17.187 2.026 1.00 0.00 C ATOM 132 CD1 TYR A 8 -5.777 -18.102 2.145 1.00 0.00 C ATOM 133 CD2 TYR A 8 -4.981 -15.806 1.973 1.00 0.00 C ATOM 134 CE1 TYR A 8 -7.105 -17.636 2.225 1.00 0.00 C ATOM 135 CE2 TYR A 8 -6.303 -15.334 2.061 1.00 0.00 C ATOM 136 CZ TYR A 8 -7.372 -16.248 2.188 1.00 0.00 C ATOM 137 OH TYR A 8 -8.651 -15.790 2.274 1.00 0.00 O ATOM 0 H TYR A 8 -2.132 -16.742 4.451 1.00 0.00 H new ATOM 0 HA TYR A 8 -3.371 -19.231 3.461 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -2.623 -16.841 1.737 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -3.180 -18.398 1.158 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -5.576 -19.163 2.175 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -4.167 -15.104 1.864 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -7.919 -18.340 2.315 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -6.501 -14.273 2.031 1.00 0.00 H new ATOM 0 HH TYR A 8 -8.651 -14.811 2.234 1.00 0.00 H new ATOM 147 N ASP A 9 -1.045 -20.086 3.019 1.00 0.00 N ATOM 148 CA ASP A 9 0.301 -20.698 2.980 1.00 0.00 C ATOM 149 C ASP A 9 1.276 -20.158 4.061 1.00 0.00 C ATOM 150 O ASP A 9 2.474 -19.984 3.819 1.00 0.00 O ATOM 151 CB ASP A 9 0.867 -20.634 1.547 1.00 0.00 C ATOM 152 CG ASP A 9 -0.008 -21.399 0.541 1.00 0.00 C ATOM 153 OD1 ASP A 9 -0.100 -22.646 0.645 1.00 0.00 O ATOM 154 OD2 ASP A 9 -0.595 -20.765 -0.370 1.00 0.00 O ATOM 0 H ASP A 9 -1.792 -20.779 2.965 1.00 0.00 H new ATOM 0 HA ASP A 9 0.190 -21.748 3.250 1.00 0.00 H new ATOM 0 HB2 ASP A 9 0.948 -19.592 1.237 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.875 -21.049 1.538 1.00 0.00 H new ATOM 159 N ASN A 10 0.752 -19.884 5.265 1.00 0.00 N ATOM 160 CA ASN A 10 1.440 -19.215 6.380 1.00 0.00 C ATOM 161 C ASN A 10 2.061 -17.852 6.015 1.00 0.00 C ATOM 162 O ASN A 10 3.257 -17.605 6.200 1.00 0.00 O ATOM 163 CB ASN A 10 2.380 -20.209 7.094 1.00 0.00 C ATOM 164 CG ASN A 10 2.934 -19.670 8.407 1.00 0.00 C ATOM 165 OD1 ASN A 10 2.291 -18.921 9.130 1.00 0.00 O ATOM 166 ND2 ASN A 10 4.142 -20.043 8.768 1.00 0.00 N ATOM 0 H ASN A 10 -0.209 -20.135 5.499 1.00 0.00 H new ATOM 0 HA ASN A 10 0.690 -18.919 7.113 1.00 0.00 H new ATOM 0 HB2 ASN A 10 1.840 -21.136 7.288 1.00 0.00 H new ATOM 0 HB3 ASN A 10 3.209 -20.456 6.431 1.00 0.00 H new ATOM 0 HD21 ASN A 10 4.538 -19.708 9.646 1.00 0.00 H new ATOM 0 HD22 ASN A 10 4.683 -20.667 8.170 1.00 0.00 H new ATOM 173 N VAL A 11 1.204 -16.955 5.518 1.00 0.00 N ATOM 174 CA VAL A 11 1.518 -15.553 5.201 1.00 0.00 C ATOM 175 C VAL A 11 0.345 -14.658 5.611 1.00 0.00 C ATOM 176 O VAL A 11 -0.813 -15.062 5.501 1.00 0.00 O ATOM 177 CB VAL A 11 1.819 -15.354 3.696 1.00 0.00 C ATOM 178 CG1 VAL A 11 2.571 -14.035 3.501 1.00 0.00 C ATOM 179 CG2 VAL A 11 2.689 -16.450 3.067 1.00 0.00 C ATOM 0 H VAL A 11 0.233 -17.192 5.316 1.00 0.00 H new ATOM 0 HA VAL A 11 2.413 -15.279 5.759 1.00 0.00 H new ATOM 0 HB VAL A 11 0.846 -15.375 3.206 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.785 -13.891 2.442 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.958 -13.210 3.863 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.507 -14.064 4.059 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.848 -16.228 2.012 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.651 -16.489 3.578 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.187 -17.413 3.163 1.00 0.00 H new ATOM 189 N ASN A 12 0.646 -13.446 6.081 1.00 0.00 N ATOM 190 CA ASN A 12 -0.315 -12.436 6.534 1.00 0.00 C ATOM 191 C ASN A 12 0.207 -11.017 6.299 1.00 0.00 C ATOM 192 O ASN A 12 1.386 -10.803 6.010 1.00 0.00 O ATOM 193 CB ASN A 12 -0.568 -12.620 8.042 1.00 0.00 C ATOM 194 CG ASN A 12 -1.716 -13.563 8.339 1.00 0.00 C ATOM 195 OD1 ASN A 12 -2.849 -13.329 7.946 1.00 0.00 O ATOM 196 ND2 ASN A 12 -1.481 -14.619 9.078 1.00 0.00 N ATOM 0 H ASN A 12 1.611 -13.126 6.160 1.00 0.00 H new ATOM 0 HA ASN A 12 -1.234 -12.567 5.963 1.00 0.00 H new ATOM 0 HB2 ASN A 12 0.338 -13.000 8.513 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -0.777 -11.649 8.491 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -2.245 -15.248 9.326 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -0.534 -14.812 9.405 1.00 0.00 H new ATOM 203 N LEU A 13 -0.675 -10.041 6.527 1.00 0.00 N ATOM 204 CA LEU A 13 -0.360 -8.614 6.484 1.00 0.00 C ATOM 205 C LEU A 13 0.878 -8.239 7.296 1.00 0.00 C ATOM 206 O LEU A 13 1.750 -7.562 6.773 1.00 0.00 O ATOM 207 CB LEU A 13 -1.583 -7.807 6.960 1.00 0.00 C ATOM 208 CG LEU A 13 -2.173 -6.964 5.830 1.00 0.00 C ATOM 209 CD1 LEU A 13 -3.450 -6.287 6.335 1.00 0.00 C ATOM 210 CD2 LEU A 13 -1.224 -5.847 5.392 1.00 0.00 C ATOM 0 H LEU A 13 -1.652 -10.228 6.752 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.124 -8.368 5.449 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.343 -8.488 7.342 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.293 -7.158 7.786 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.358 -7.631 4.988 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.881 -5.682 5.537 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.168 -7.047 6.642 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.211 -5.649 7.186 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.684 -5.273 4.587 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.022 -5.189 6.237 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.289 -6.282 5.039 1.00 0.00 H new ATOM 222 N ASP A 14 1.007 -8.717 8.536 1.00 0.00 N ATOM 223 CA ASP A 14 2.162 -8.410 9.391 1.00 0.00 C ATOM 224 C ASP A 14 3.521 -8.797 8.778 1.00 0.00 C ATOM 225 O ASP A 14 4.532 -8.167 9.087 1.00 0.00 O ATOM 226 CB ASP A 14 1.984 -9.066 10.761 1.00 0.00 C ATOM 227 CG ASP A 14 0.903 -8.352 11.585 1.00 0.00 C ATOM 228 OD1 ASP A 14 1.110 -7.175 11.971 1.00 0.00 O ATOM 229 OD2 ASP A 14 -0.171 -8.950 11.828 1.00 0.00 O ATOM 0 H ASP A 14 0.318 -9.326 8.977 1.00 0.00 H new ATOM 0 HA ASP A 14 2.187 -7.325 9.494 1.00 0.00 H new ATOM 0 HB2 ASP A 14 1.713 -10.114 10.632 1.00 0.00 H new ATOM 0 HB3 ASP A 14 2.930 -9.045 11.302 1.00 0.00 H new ATOM 234 N GLU A 15 3.557 -9.790 7.886 1.00 0.00 N ATOM 235 CA GLU A 15 4.743 -10.134 7.093 1.00 0.00 C ATOM 236 C GLU A 15 4.906 -9.207 5.871 1.00 0.00 C ATOM 237 O GLU A 15 6.028 -8.893 5.503 1.00 0.00 O ATOM 238 CB GLU A 15 4.670 -11.614 6.673 1.00 0.00 C ATOM 239 CG GLU A 15 5.964 -12.162 6.044 1.00 0.00 C ATOM 240 CD GLU A 15 7.187 -12.254 6.982 1.00 0.00 C ATOM 241 OE1 GLU A 15 7.030 -12.300 8.226 1.00 0.00 O ATOM 242 OE2 GLU A 15 8.328 -12.310 6.457 1.00 0.00 O ATOM 0 H GLU A 15 2.753 -10.387 7.691 1.00 0.00 H new ATOM 0 HA GLU A 15 5.628 -9.986 7.712 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.423 -12.215 7.548 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.854 -11.737 5.961 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.759 -13.157 5.648 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.228 -11.530 5.196 1.00 0.00 H new ATOM 249 N ILE A 16 3.818 -8.715 5.268 1.00 0.00 N ATOM 250 CA ILE A 16 3.832 -7.812 4.087 1.00 0.00 C ATOM 251 C ILE A 16 4.629 -6.533 4.361 1.00 0.00 C ATOM 252 O ILE A 16 5.635 -6.294 3.693 1.00 0.00 O ATOM 253 CB ILE A 16 2.391 -7.559 3.548 1.00 0.00 C ATOM 254 CG1 ILE A 16 1.795 -8.854 2.952 1.00 0.00 C ATOM 255 CG2 ILE A 16 2.271 -6.435 2.512 1.00 0.00 C ATOM 256 CD1 ILE A 16 2.558 -9.405 1.728 1.00 0.00 C ATOM 0 H ILE A 16 2.874 -8.933 5.588 1.00 0.00 H new ATOM 0 HA ILE A 16 4.364 -8.314 3.279 1.00 0.00 H new ATOM 0 HB ILE A 16 1.829 -7.232 4.423 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.775 -9.620 3.727 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.761 -8.664 2.665 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.231 -6.338 2.200 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.607 -5.496 2.953 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.889 -6.671 1.646 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.071 -10.314 1.375 1.00 0.00 H new ATOM 0 HD12 ILE A 16 2.556 -8.660 0.932 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.586 -9.631 2.011 1.00 0.00 H new ATOM 268 N LEU A 17 4.280 -5.756 5.390 1.00 0.00 N ATOM 269 CA LEU A 17 5.051 -4.562 5.767 1.00 0.00 C ATOM 270 C LEU A 17 6.447 -4.881 6.349 1.00 0.00 C ATOM 271 O LEU A 17 7.354 -4.055 6.241 1.00 0.00 O ATOM 272 CB LEU A 17 4.247 -3.719 6.766 1.00 0.00 C ATOM 273 CG LEU A 17 3.547 -4.506 7.901 1.00 0.00 C ATOM 274 CD1 LEU A 17 3.529 -3.631 9.134 1.00 0.00 C ATOM 275 CD2 LEU A 17 2.069 -4.800 7.650 1.00 0.00 C ATOM 0 H LEU A 17 3.467 -5.931 5.980 1.00 0.00 H new ATOM 0 HA LEU A 17 5.224 -4.003 4.848 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.917 -2.987 7.217 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.489 -3.161 6.215 1.00 0.00 H new ATOM 0 HG LEU A 17 4.099 -5.442 7.987 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.040 -4.163 9.950 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.552 -3.386 9.421 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.982 -2.713 8.920 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.660 -5.354 8.495 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.526 -3.862 7.534 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.965 -5.394 6.742 1.00 0.00 H new ATOM 287 N ALA A 18 6.630 -6.054 6.967 1.00 0.00 N ATOM 288 CA ALA A 18 7.904 -6.485 7.554 1.00 0.00 C ATOM 289 C ALA A 18 8.897 -7.077 6.530 1.00 0.00 C ATOM 290 O ALA A 18 10.094 -7.176 6.815 1.00 0.00 O ATOM 291 CB ALA A 18 7.598 -7.513 8.647 1.00 0.00 C ATOM 0 H ALA A 18 5.884 -6.742 7.075 1.00 0.00 H new ATOM 0 HA ALA A 18 8.397 -5.602 7.960 1.00 0.00 H new ATOM 0 HB1 ALA A 18 8.530 -7.850 9.100 1.00 0.00 H new ATOM 0 HB2 ALA A 18 6.968 -7.056 9.410 1.00 0.00 H new ATOM 0 HB3 ALA A 18 7.078 -8.365 8.210 1.00 0.00 H new ATOM 297 N ASN A 19 8.416 -7.461 5.344 1.00 0.00 N ATOM 298 CA ASN A 19 9.158 -8.169 4.308 1.00 0.00 C ATOM 299 C ASN A 19 9.076 -7.392 2.989 1.00 0.00 C ATOM 300 O ASN A 19 8.225 -7.651 2.137 1.00 0.00 O ATOM 301 CB ASN A 19 8.642 -9.612 4.174 1.00 0.00 C ATOM 302 CG ASN A 19 9.674 -10.524 3.545 1.00 0.00 C ATOM 303 OD1 ASN A 19 10.323 -10.185 2.567 1.00 0.00 O ATOM 304 ND2 ASN A 19 9.879 -11.694 4.100 1.00 0.00 N ATOM 0 H ASN A 19 7.451 -7.275 5.071 1.00 0.00 H new ATOM 0 HA ASN A 19 10.210 -8.233 4.585 1.00 0.00 H new ATOM 0 HB2 ASN A 19 8.372 -9.994 5.159 1.00 0.00 H new ATOM 0 HB3 ASN A 19 7.735 -9.619 3.570 1.00 0.00 H new ATOM 0 HD21 ASN A 19 10.582 -12.325 3.715 1.00 0.00 H new ATOM 0 HD22 ASN A 19 9.335 -11.973 4.916 1.00 0.00 H new ATOM 311 N ASP A 20 9.963 -6.413 2.810 1.00 0.00 N ATOM 312 CA ASP A 20 9.991 -5.590 1.596 1.00 0.00 C ATOM 313 C ASP A 20 10.135 -6.419 0.302 1.00 0.00 C ATOM 314 O ASP A 20 9.700 -5.964 -0.755 1.00 0.00 O ATOM 315 CB ASP A 20 11.083 -4.520 1.684 1.00 0.00 C ATOM 316 CG ASP A 20 10.856 -3.553 2.856 1.00 0.00 C ATOM 317 OD1 ASP A 20 10.038 -2.615 2.709 1.00 0.00 O ATOM 318 OD2 ASP A 20 11.505 -3.728 3.914 1.00 0.00 O ATOM 0 H ASP A 20 10.678 -6.168 3.495 1.00 0.00 H new ATOM 0 HA ASP A 20 9.020 -5.098 1.538 1.00 0.00 H new ATOM 0 HB2 ASP A 20 12.054 -5.003 1.796 1.00 0.00 H new ATOM 0 HB3 ASP A 20 11.113 -3.957 0.751 1.00 0.00 H new ATOM 323 N ARG A 21 10.691 -7.641 0.363 1.00 0.00 N ATOM 324 CA ARG A 21 10.749 -8.578 -0.778 1.00 0.00 C ATOM 325 C ARG A 21 9.356 -9.014 -1.253 1.00 0.00 C ATOM 326 O ARG A 21 9.142 -9.148 -2.457 1.00 0.00 O ATOM 327 CB ARG A 21 11.597 -9.826 -0.458 1.00 0.00 C ATOM 328 CG ARG A 21 12.891 -9.543 0.326 1.00 0.00 C ATOM 329 CD ARG A 21 13.818 -10.765 0.372 1.00 0.00 C ATOM 330 NE ARG A 21 14.409 -11.064 -0.949 1.00 0.00 N ATOM 331 CZ ARG A 21 15.097 -12.142 -1.282 1.00 0.00 C ATOM 332 NH1 ARG A 21 15.345 -13.099 -0.433 1.00 0.00 N ATOM 333 NH2 ARG A 21 15.560 -12.279 -2.492 1.00 0.00 N ATOM 0 H ARG A 21 11.117 -8.012 1.212 1.00 0.00 H new ATOM 0 HA ARG A 21 11.228 -8.025 -1.586 1.00 0.00 H new ATOM 0 HB2 ARG A 21 10.987 -10.525 0.114 1.00 0.00 H new ATOM 0 HB3 ARG A 21 11.857 -10.321 -1.394 1.00 0.00 H new ATOM 0 HG2 ARG A 21 13.417 -8.707 -0.134 1.00 0.00 H new ATOM 0 HG3 ARG A 21 12.639 -9.241 1.343 1.00 0.00 H new ATOM 0 HD2 ARG A 21 14.615 -10.588 1.094 1.00 0.00 H new ATOM 0 HD3 ARG A 21 13.258 -11.632 0.723 1.00 0.00 H new ATOM 0 HE ARG A 21 14.272 -10.366 -1.680 1.00 0.00 H new ATOM 0 HH11 ARG A 21 15.004 -13.031 0.526 1.00 0.00 H new ATOM 0 HH12 ARG A 21 15.880 -13.916 -0.727 1.00 0.00 H new ATOM 0 HH21 ARG A 21 15.392 -11.552 -3.188 1.00 0.00 H new ATOM 0 HH22 ARG A 21 16.090 -13.113 -2.744 1.00 0.00 H new ATOM 347 N LEU A 22 8.405 -9.188 -0.327 1.00 0.00 N ATOM 348 CA LEU A 22 6.977 -9.345 -0.640 1.00 0.00 C ATOM 349 C LEU A 22 6.392 -8.008 -1.100 1.00 0.00 C ATOM 350 O LEU A 22 5.745 -7.944 -2.143 1.00 0.00 O ATOM 351 CB LEU A 22 6.179 -9.813 0.596 1.00 0.00 C ATOM 352 CG LEU A 22 6.673 -11.090 1.287 1.00 0.00 C ATOM 353 CD1 LEU A 22 5.845 -11.369 2.538 1.00 0.00 C ATOM 354 CD2 LEU A 22 6.533 -12.318 0.405 1.00 0.00 C ATOM 0 H LEU A 22 8.606 -9.224 0.672 1.00 0.00 H new ATOM 0 HA LEU A 22 6.897 -10.094 -1.428 1.00 0.00 H new ATOM 0 HB2 LEU A 22 6.181 -9.006 1.329 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.143 -9.967 0.295 1.00 0.00 H new ATOM 0 HG LEU A 22 7.724 -10.915 1.519 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.207 -12.278 3.018 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.937 -10.532 3.230 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.799 -11.497 2.261 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.897 -13.194 0.941 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.484 -12.461 0.145 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.117 -12.181 -0.505 1.00 0.00 H new ATOM 366 N LEU A 23 6.647 -6.935 -0.340 1.00 0.00 N ATOM 367 CA LEU A 23 6.058 -5.613 -0.568 1.00 0.00 C ATOM 368 C LEU A 23 6.318 -5.111 -2.002 1.00 0.00 C ATOM 369 O LEU A 23 5.398 -4.658 -2.680 1.00 0.00 O ATOM 370 CB LEU A 23 6.582 -4.635 0.504 1.00 0.00 C ATOM 371 CG LEU A 23 5.618 -3.507 0.889 1.00 0.00 C ATOM 372 CD1 LEU A 23 4.987 -2.806 -0.308 1.00 0.00 C ATOM 373 CD2 LEU A 23 4.534 -4.065 1.799 1.00 0.00 C ATOM 0 H LEU A 23 7.277 -6.963 0.461 1.00 0.00 H new ATOM 0 HA LEU A 23 4.974 -5.681 -0.473 1.00 0.00 H new ATOM 0 HB2 LEU A 23 6.827 -5.203 1.401 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.510 -4.191 0.144 1.00 0.00 H new ATOM 0 HG LEU A 23 6.205 -2.749 1.406 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.317 -2.020 0.042 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.770 -2.367 -0.927 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.422 -3.529 -0.897 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.845 -3.267 2.076 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.988 -4.850 1.276 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.991 -4.478 2.698 1.00 0.00 H new ATOM 385 N ASN A 24 7.543 -5.288 -2.511 1.00 0.00 N ATOM 386 CA ASN A 24 7.938 -4.938 -3.881 1.00 0.00 C ATOM 387 C ASN A 24 7.024 -5.548 -4.963 1.00 0.00 C ATOM 388 O ASN A 24 6.836 -4.924 -6.004 1.00 0.00 O ATOM 389 CB ASN A 24 9.409 -5.326 -4.122 1.00 0.00 C ATOM 390 CG ASN A 24 10.361 -4.191 -3.779 1.00 0.00 C ATOM 391 OD1 ASN A 24 10.750 -3.396 -4.620 1.00 0.00 O ATOM 392 ND2 ASN A 24 10.753 -4.064 -2.534 1.00 0.00 N ATOM 0 H ASN A 24 8.307 -5.689 -1.967 1.00 0.00 H new ATOM 0 HA ASN A 24 7.824 -3.858 -3.973 1.00 0.00 H new ATOM 0 HB2 ASN A 24 9.656 -6.201 -3.521 1.00 0.00 H new ATOM 0 HB3 ASN A 24 9.543 -5.609 -5.166 1.00 0.00 H new ATOM 0 HD21 ASN A 24 11.380 -3.304 -2.272 1.00 0.00 H new ATOM 0 HD22 ASN A 24 10.431 -4.726 -1.828 1.00 0.00 H new ATOM 399 N LYS A 25 6.415 -6.716 -4.718 1.00 0.00 N ATOM 400 CA LYS A 25 5.447 -7.362 -5.628 1.00 0.00 C ATOM 401 C LYS A 25 4.089 -6.651 -5.591 1.00 0.00 C ATOM 402 O LYS A 25 3.476 -6.404 -6.629 1.00 0.00 O ATOM 403 CB LYS A 25 5.259 -8.848 -5.246 1.00 0.00 C ATOM 404 CG LYS A 25 6.577 -9.630 -5.087 1.00 0.00 C ATOM 405 CD LYS A 25 6.392 -11.056 -4.545 1.00 0.00 C ATOM 406 CE LYS A 25 5.531 -11.925 -5.466 1.00 0.00 C ATOM 407 NZ LYS A 25 5.506 -13.343 -5.019 1.00 0.00 N ATOM 0 H LYS A 25 6.582 -7.252 -3.866 1.00 0.00 H new ATOM 0 HA LYS A 25 5.848 -7.293 -6.639 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.701 -8.904 -4.311 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.651 -9.334 -6.009 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.077 -9.681 -6.054 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.236 -9.079 -4.416 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.369 -11.523 -4.418 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.931 -11.010 -3.559 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.514 -11.533 -5.490 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.918 -11.871 -6.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.913 -13.901 -5.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.474 -13.724 -5.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.113 -13.397 -4.057 1.00 0.00 H new ATOM 421 N TYR A 26 3.645 -6.289 -4.385 1.00 0.00 N ATOM 422 CA TYR A 26 2.364 -5.632 -4.110 1.00 0.00 C ATOM 423 C TYR A 26 2.319 -4.196 -4.655 1.00 0.00 C ATOM 424 O TYR A 26 1.280 -3.768 -5.150 1.00 0.00 O ATOM 425 CB TYR A 26 2.078 -5.657 -2.595 1.00 0.00 C ATOM 426 CG TYR A 26 1.579 -6.993 -2.059 1.00 0.00 C ATOM 427 CD1 TYR A 26 2.365 -8.156 -2.172 1.00 0.00 C ATOM 428 CD2 TYR A 26 0.312 -7.076 -1.453 1.00 0.00 C ATOM 429 CE1 TYR A 26 1.872 -9.402 -1.743 1.00 0.00 C ATOM 430 CE2 TYR A 26 -0.179 -8.312 -0.992 1.00 0.00 C ATOM 431 CZ TYR A 26 0.588 -9.486 -1.158 1.00 0.00 C ATOM 432 OH TYR A 26 0.086 -10.684 -0.754 1.00 0.00 O ATOM 0 H TYR A 26 4.190 -6.452 -3.538 1.00 0.00 H new ATOM 0 HA TYR A 26 1.584 -6.188 -4.631 1.00 0.00 H new ATOM 0 HB2 TYR A 26 2.990 -5.386 -2.063 1.00 0.00 H new ATOM 0 HB3 TYR A 26 1.337 -4.891 -2.367 1.00 0.00 H new ATOM 0 HD1 TYR A 26 3.358 -8.091 -2.593 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -0.288 -6.185 -1.341 1.00 0.00 H new ATOM 0 HE1 TYR A 26 2.473 -10.292 -1.860 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -1.144 -8.363 -0.510 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.808 -10.553 -0.374 1.00 0.00 H new ATOM 442 N VAL A 27 3.442 -3.466 -4.631 1.00 0.00 N ATOM 443 CA VAL A 27 3.556 -2.139 -5.275 1.00 0.00 C ATOM 444 C VAL A 27 3.642 -2.223 -6.792 1.00 0.00 C ATOM 445 O VAL A 27 3.009 -1.433 -7.485 1.00 0.00 O ATOM 446 CB VAL A 27 4.723 -1.300 -4.721 1.00 0.00 C ATOM 447 CG1 VAL A 27 4.454 -0.964 -3.256 1.00 0.00 C ATOM 448 CG2 VAL A 27 6.078 -1.998 -4.810 1.00 0.00 C ATOM 0 H VAL A 27 4.298 -3.772 -4.168 1.00 0.00 H new ATOM 0 HA VAL A 27 2.628 -1.626 -5.021 1.00 0.00 H new ATOM 0 HB VAL A 27 4.776 -0.405 -5.341 1.00 0.00 H new ATOM 0 HG11 VAL A 27 5.279 -0.370 -2.862 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.527 -0.396 -3.177 1.00 0.00 H new ATOM 0 HG13 VAL A 27 4.364 -1.886 -2.682 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.850 -1.347 -4.401 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.047 -2.926 -4.240 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.305 -2.220 -5.853 1.00 0.00 H new ATOM 458 N GLN A 28 4.340 -3.218 -7.338 1.00 0.00 N ATOM 459 CA GLN A 28 4.474 -3.409 -8.790 1.00 0.00 C ATOM 460 C GLN A 28 3.120 -3.448 -9.521 1.00 0.00 C ATOM 461 O GLN A 28 3.019 -2.962 -10.646 1.00 0.00 O ATOM 462 CB GLN A 28 5.245 -4.707 -9.042 1.00 0.00 C ATOM 463 CG GLN A 28 6.146 -4.632 -10.283 1.00 0.00 C ATOM 464 CD GLN A 28 6.929 -5.922 -10.542 1.00 0.00 C ATOM 465 OE1 GLN A 28 6.962 -6.858 -9.753 1.00 0.00 O ATOM 466 NE2 GLN A 28 7.580 -6.038 -11.680 1.00 0.00 N ATOM 0 H GLN A 28 4.833 -3.920 -6.786 1.00 0.00 H new ATOM 0 HA GLN A 28 5.013 -2.551 -9.191 1.00 0.00 H new ATOM 0 HB2 GLN A 28 5.855 -4.937 -8.169 1.00 0.00 H new ATOM 0 HB3 GLN A 28 4.537 -5.527 -9.161 1.00 0.00 H new ATOM 0 HG2 GLN A 28 5.533 -4.406 -11.155 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.848 -3.807 -10.164 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.568 -5.273 -12.354 1.00 0.00 H new ATOM 0 HE22 GLN A 28 8.096 -6.893 -11.887 1.00 0.00 H new ATOM 475 N CYS A 29 2.083 -3.937 -8.828 1.00 0.00 N ATOM 476 CA CYS A 29 0.684 -3.982 -9.259 1.00 0.00 C ATOM 477 C CYS A 29 0.151 -2.670 -9.862 1.00 0.00 C ATOM 478 O CYS A 29 -0.648 -2.700 -10.801 1.00 0.00 O ATOM 479 CB CYS A 29 -0.151 -4.406 -8.043 1.00 0.00 C ATOM 480 SG CYS A 29 -1.952 -4.411 -8.237 1.00 0.00 S ATOM 0 H CYS A 29 2.208 -4.335 -7.897 1.00 0.00 H new ATOM 0 HA CYS A 29 0.608 -4.697 -10.078 1.00 0.00 H new ATOM 0 HB2 CYS A 29 0.160 -5.409 -7.753 1.00 0.00 H new ATOM 0 HB3 CYS A 29 0.098 -3.743 -7.214 1.00 0.00 H new ATOM 485 N LEU A 30 0.614 -1.523 -9.350 1.00 0.00 N ATOM 486 CA LEU A 30 0.196 -0.187 -9.788 1.00 0.00 C ATOM 487 C LEU A 30 1.366 0.733 -10.193 1.00 0.00 C ATOM 488 O LEU A 30 1.132 1.803 -10.761 1.00 0.00 O ATOM 489 CB LEU A 30 -0.770 0.439 -8.752 1.00 0.00 C ATOM 490 CG LEU A 30 -0.338 0.620 -7.278 1.00 0.00 C ATOM 491 CD1 LEU A 30 -0.324 -0.679 -6.468 1.00 0.00 C ATOM 492 CD2 LEU A 30 1.024 1.289 -7.125 1.00 0.00 C ATOM 0 H LEU A 30 1.306 -1.498 -8.602 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.358 -0.306 -10.719 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.049 1.423 -9.128 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.675 -0.169 -8.749 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.112 1.274 -6.876 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.011 -0.467 -5.446 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.324 -1.113 -6.458 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.373 -1.384 -6.922 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.265 1.385 -6.066 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.785 0.683 -7.617 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.997 2.278 -7.582 1.00 0.00 H new ATOM 504 N LEU A 31 2.614 0.324 -9.932 1.00 0.00 N ATOM 505 CA LEU A 31 3.829 1.049 -10.325 1.00 0.00 C ATOM 506 C LEU A 31 4.230 0.711 -11.774 1.00 0.00 C ATOM 507 O LEU A 31 4.556 1.616 -12.544 1.00 0.00 O ATOM 508 CB LEU A 31 4.924 0.811 -9.251 1.00 0.00 C ATOM 509 CG LEU A 31 6.270 0.173 -9.658 1.00 0.00 C ATOM 510 CD1 LEU A 31 7.183 1.136 -10.416 1.00 0.00 C ATOM 511 CD2 LEU A 31 7.028 -0.265 -8.405 1.00 0.00 C ATOM 0 H LEU A 31 2.812 -0.541 -9.429 1.00 0.00 H new ATOM 0 HA LEU A 31 3.657 2.125 -10.349 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.146 1.775 -8.793 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.487 0.183 -8.475 1.00 0.00 H new ATOM 0 HG LEU A 31 6.024 -0.666 -10.309 1.00 0.00 H new ATOM 0 HD11 LEU A 31 8.113 0.629 -10.674 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.685 1.468 -11.327 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.403 1.999 -9.788 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.978 -0.715 -8.693 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.215 0.602 -7.771 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.433 -0.994 -7.856 1.00 0.00 H new ATOM 523 N GLU A 32 4.158 -0.564 -12.174 1.00 0.00 N ATOM 524 CA GLU A 32 4.439 -0.994 -13.551 1.00 0.00 C ATOM 525 C GLU A 32 3.174 -1.002 -14.431 1.00 0.00 C ATOM 526 O GLU A 32 2.042 -1.056 -13.948 1.00 0.00 O ATOM 527 CB GLU A 32 5.094 -2.388 -13.567 1.00 0.00 C ATOM 528 CG GLU A 32 6.551 -2.397 -13.077 1.00 0.00 C ATOM 529 CD GLU A 32 7.514 -1.535 -13.926 1.00 0.00 C ATOM 530 OE1 GLU A 32 7.253 -1.299 -15.132 1.00 0.00 O ATOM 531 OE2 GLU A 32 8.565 -1.107 -13.391 1.00 0.00 O ATOM 0 H GLU A 32 3.902 -1.330 -11.551 1.00 0.00 H new ATOM 0 HA GLU A 32 5.132 -0.265 -13.971 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.507 -3.062 -12.943 1.00 0.00 H new ATOM 0 HB3 GLU A 32 5.060 -2.783 -14.582 1.00 0.00 H new ATOM 0 HG2 GLU A 32 6.578 -2.042 -12.047 1.00 0.00 H new ATOM 0 HG3 GLU A 32 6.913 -3.425 -13.070 1.00 0.00 H new ATOM 538 N ASP A 33 3.377 -0.975 -15.751 1.00 0.00 N ATOM 539 CA ASP A 33 2.310 -0.889 -16.763 1.00 0.00 C ATOM 540 C ASP A 33 1.617 -2.241 -17.076 1.00 0.00 C ATOM 541 O ASP A 33 0.657 -2.286 -17.847 1.00 0.00 O ATOM 542 CB ASP A 33 2.923 -0.261 -18.028 1.00 0.00 C ATOM 543 CG ASP A 33 1.871 0.208 -19.050 1.00 0.00 C ATOM 544 OD1 ASP A 33 0.998 1.036 -18.689 1.00 0.00 O ATOM 545 OD2 ASP A 33 1.952 -0.195 -20.235 1.00 0.00 O ATOM 0 H ASP A 33 4.311 -1.013 -16.160 1.00 0.00 H new ATOM 0 HA ASP A 33 1.508 -0.269 -16.363 1.00 0.00 H new ATOM 0 HB2 ASP A 33 3.542 0.588 -17.739 1.00 0.00 H new ATOM 0 HB3 ASP A 33 3.581 -0.988 -18.503 1.00 0.00 H new ATOM 550 N ASP A 34 2.091 -3.351 -16.496 1.00 0.00 N ATOM 551 CA ASP A 34 1.693 -4.721 -16.871 1.00 0.00 C ATOM 552 C ASP A 34 0.626 -5.365 -15.960 1.00 0.00 C ATOM 553 O ASP A 34 -0.083 -6.264 -16.411 1.00 0.00 O ATOM 554 CB ASP A 34 2.946 -5.611 -16.896 1.00 0.00 C ATOM 555 CG ASP A 34 3.905 -5.226 -18.035 1.00 0.00 C ATOM 556 OD1 ASP A 34 3.614 -5.561 -19.208 1.00 0.00 O ATOM 557 OD2 ASP A 34 4.960 -4.607 -17.759 1.00 0.00 O ATOM 0 H ASP A 34 2.774 -3.326 -15.739 1.00 0.00 H new ATOM 0 HA ASP A 34 1.226 -4.641 -17.853 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.466 -5.531 -15.942 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.648 -6.653 -17.010 1.00 0.00 H new ATOM 562 N GLU A 35 0.507 -4.920 -14.701 1.00 0.00 N ATOM 563 CA GLU A 35 -0.428 -5.338 -13.623 1.00 0.00 C ATOM 564 C GLU A 35 -0.667 -6.846 -13.353 1.00 0.00 C ATOM 565 O GLU A 35 -1.427 -7.211 -12.456 1.00 0.00 O ATOM 566 CB GLU A 35 -1.742 -4.533 -13.704 1.00 0.00 C ATOM 567 CG GLU A 35 -2.646 -4.904 -14.889 1.00 0.00 C ATOM 568 CD GLU A 35 -4.003 -4.179 -14.799 1.00 0.00 C ATOM 569 OE1 GLU A 35 -4.104 -3.007 -15.239 1.00 0.00 O ATOM 570 OE2 GLU A 35 -4.988 -4.780 -14.301 1.00 0.00 O ATOM 0 H GLU A 35 1.125 -4.180 -14.368 1.00 0.00 H new ATOM 0 HA GLU A 35 0.134 -5.085 -12.724 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.300 -4.678 -12.779 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.500 -3.472 -13.767 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.151 -4.642 -15.824 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.806 -5.982 -14.905 1.00 0.00 H new ATOM 577 N SER A 36 0.020 -7.742 -14.058 1.00 0.00 N ATOM 578 CA SER A 36 -0.070 -9.208 -13.891 1.00 0.00 C ATOM 579 C SER A 36 0.363 -9.683 -12.490 1.00 0.00 C ATOM 580 O SER A 36 -0.092 -10.708 -11.977 1.00 0.00 O ATOM 581 CB SER A 36 0.795 -9.875 -14.967 1.00 0.00 C ATOM 582 OG SER A 36 0.571 -11.274 -15.019 1.00 0.00 O ATOM 0 H SER A 36 0.679 -7.468 -14.787 1.00 0.00 H new ATOM 0 HA SER A 36 -1.116 -9.495 -14.000 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.574 -9.434 -15.939 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.848 -9.681 -14.761 1.00 0.00 H new ATOM 0 HG SER A 36 1.136 -11.670 -15.715 1.00 0.00 H new ATOM 588 N ASN A 37 1.221 -8.889 -11.847 1.00 0.00 N ATOM 589 CA ASN A 37 1.755 -9.062 -10.492 1.00 0.00 C ATOM 590 C ASN A 37 0.800 -8.625 -9.356 1.00 0.00 C ATOM 591 O ASN A 37 1.138 -8.806 -8.184 1.00 0.00 O ATOM 592 CB ASN A 37 3.135 -8.368 -10.426 1.00 0.00 C ATOM 593 CG ASN A 37 3.172 -7.022 -11.132 1.00 0.00 C ATOM 594 OD1 ASN A 37 2.264 -6.215 -11.039 1.00 0.00 O ATOM 595 ND2 ASN A 37 4.166 -6.774 -11.950 1.00 0.00 N ATOM 0 H ASN A 37 1.588 -8.047 -12.290 1.00 0.00 H new ATOM 0 HA ASN A 37 1.867 -10.130 -10.307 1.00 0.00 H new ATOM 0 HB2 ASN A 37 3.413 -8.229 -9.381 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.884 -9.023 -10.871 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.173 -5.914 -12.499 1.00 0.00 H new ATOM 0 HD22 ASN A 37 4.933 -7.441 -12.038 1.00 0.00 H new ATOM 602 N CYS A 38 -0.402 -8.115 -9.656 1.00 0.00 N ATOM 603 CA CYS A 38 -1.476 -7.990 -8.664 1.00 0.00 C ATOM 604 C CYS A 38 -1.959 -9.383 -8.201 1.00 0.00 C ATOM 605 O CYS A 38 -2.663 -10.074 -8.944 1.00 0.00 O ATOM 606 CB CYS A 38 -2.656 -7.201 -9.253 1.00 0.00 C ATOM 607 SG CYS A 38 -2.317 -5.538 -9.882 1.00 0.00 S ATOM 0 H CYS A 38 -0.655 -7.780 -10.586 1.00 0.00 H new ATOM 0 HA CYS A 38 -1.081 -7.453 -7.802 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -3.081 -7.789 -10.067 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -3.424 -7.120 -8.484 1.00 0.00 H new ATOM 612 N THR A 39 -1.603 -9.811 -6.984 1.00 0.00 N ATOM 613 CA THR A 39 -2.174 -11.029 -6.369 1.00 0.00 C ATOM 614 C THR A 39 -3.639 -10.801 -5.975 1.00 0.00 C ATOM 615 O THR A 39 -4.087 -9.656 -5.888 1.00 0.00 O ATOM 616 CB THR A 39 -1.369 -11.477 -5.137 1.00 0.00 C ATOM 617 OG1 THR A 39 -1.388 -10.475 -4.147 1.00 0.00 O ATOM 618 CG2 THR A 39 0.093 -11.775 -5.472 1.00 0.00 C ATOM 0 H THR A 39 -0.919 -9.333 -6.398 1.00 0.00 H new ATOM 0 HA THR A 39 -2.121 -11.821 -7.116 1.00 0.00 H new ATOM 0 HB THR A 39 -1.843 -12.391 -4.778 1.00 0.00 H new ATOM 0 HG1 THR A 39 -0.873 -10.774 -3.369 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.617 -12.087 -4.569 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.141 -12.573 -6.213 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.564 -10.878 -5.873 1.00 0.00 H new ATOM 626 N ALA A 40 -4.404 -11.865 -5.707 1.00 0.00 N ATOM 627 CA ALA A 40 -5.811 -11.748 -5.296 1.00 0.00 C ATOM 628 C ALA A 40 -6.008 -10.864 -4.042 1.00 0.00 C ATOM 629 O ALA A 40 -6.975 -10.104 -3.959 1.00 0.00 O ATOM 630 CB ALA A 40 -6.374 -13.158 -5.079 1.00 0.00 C ATOM 0 H ALA A 40 -4.070 -12.827 -5.768 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.358 -11.242 -6.092 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.418 -13.090 -4.773 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.304 -13.725 -6.008 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.801 -13.663 -4.302 1.00 0.00 H new ATOM 636 N ASP A 41 -5.065 -10.918 -3.095 1.00 0.00 N ATOM 637 CA ASP A 41 -5.087 -10.116 -1.864 1.00 0.00 C ATOM 638 C ASP A 41 -4.378 -8.760 -2.028 1.00 0.00 C ATOM 639 O ASP A 41 -4.827 -7.762 -1.464 1.00 0.00 O ATOM 640 CB ASP A 41 -4.454 -10.923 -0.722 1.00 0.00 C ATOM 641 CG ASP A 41 -5.169 -12.270 -0.521 1.00 0.00 C ATOM 642 OD1 ASP A 41 -6.365 -12.272 -0.140 1.00 0.00 O ATOM 643 OD2 ASP A 41 -4.541 -13.326 -0.777 1.00 0.00 O ATOM 0 H ASP A 41 -4.251 -11.530 -3.162 1.00 0.00 H new ATOM 0 HA ASP A 41 -6.128 -9.893 -1.629 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -3.400 -11.098 -0.939 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -4.498 -10.345 0.201 1.00 0.00 H new ATOM 648 N GLY A 42 -3.319 -8.685 -2.844 1.00 0.00 N ATOM 649 CA GLY A 42 -2.603 -7.444 -3.160 1.00 0.00 C ATOM 650 C GLY A 42 -3.445 -6.452 -3.958 1.00 0.00 C ATOM 651 O GLY A 42 -3.453 -5.257 -3.660 1.00 0.00 O ATOM 0 H GLY A 42 -2.928 -9.503 -3.312 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.279 -6.972 -2.232 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.703 -7.685 -3.726 1.00 0.00 H new ATOM 655 N LYS A 43 -4.226 -6.964 -4.916 1.00 0.00 N ATOM 656 CA LYS A 43 -5.269 -6.232 -5.646 1.00 0.00 C ATOM 657 C LYS A 43 -6.308 -5.626 -4.703 1.00 0.00 C ATOM 658 O LYS A 43 -6.631 -4.450 -4.824 1.00 0.00 O ATOM 659 CB LYS A 43 -5.945 -7.218 -6.618 1.00 0.00 C ATOM 660 CG LYS A 43 -7.073 -6.614 -7.477 1.00 0.00 C ATOM 661 CD LYS A 43 -8.104 -7.686 -7.865 1.00 0.00 C ATOM 662 CE LYS A 43 -7.548 -8.821 -8.740 1.00 0.00 C ATOM 663 NZ LYS A 43 -7.259 -8.375 -10.130 1.00 0.00 N ATOM 0 H LYS A 43 -4.147 -7.936 -5.216 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.813 -5.403 -6.186 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.185 -7.630 -7.281 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.352 -8.050 -6.043 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.566 -5.813 -6.926 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.650 -6.168 -8.377 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -8.520 -8.117 -6.955 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.926 -7.206 -8.395 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.635 -9.210 -8.289 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -8.266 -9.641 -8.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.886 -9.175 -10.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -8.134 -8.028 -10.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -6.554 -7.610 -10.110 1.00 0.00 H new ATOM 677 N GLU A 44 -6.834 -6.408 -3.764 1.00 0.00 N ATOM 678 CA GLU A 44 -7.815 -5.909 -2.795 1.00 0.00 C ATOM 679 C GLU A 44 -7.190 -4.847 -1.872 1.00 0.00 C ATOM 680 O GLU A 44 -7.762 -3.767 -1.724 1.00 0.00 O ATOM 681 CB GLU A 44 -8.418 -7.095 -2.029 1.00 0.00 C ATOM 682 CG GLU A 44 -9.483 -6.666 -1.018 1.00 0.00 C ATOM 683 CD GLU A 44 -10.065 -7.888 -0.281 1.00 0.00 C ATOM 684 OE1 GLU A 44 -11.025 -8.512 -0.798 1.00 0.00 O ATOM 685 OE2 GLU A 44 -9.578 -8.212 0.828 1.00 0.00 O ATOM 0 H GLU A 44 -6.598 -7.394 -3.651 1.00 0.00 H new ATOM 0 HA GLU A 44 -8.628 -5.405 -3.317 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.858 -7.795 -2.739 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.622 -7.628 -1.508 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -9.048 -5.974 -0.297 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -10.282 -6.131 -1.531 1.00 0.00 H new ATOM 692 N LEU A 45 -5.986 -5.099 -1.336 1.00 0.00 N ATOM 693 CA LEU A 45 -5.229 -4.161 -0.499 1.00 0.00 C ATOM 694 C LEU A 45 -4.998 -2.821 -1.218 1.00 0.00 C ATOM 695 O LEU A 45 -5.394 -1.777 -0.701 1.00 0.00 O ATOM 696 CB LEU A 45 -3.923 -4.853 -0.035 1.00 0.00 C ATOM 697 CG LEU A 45 -2.894 -3.936 0.668 1.00 0.00 C ATOM 698 CD1 LEU A 45 -2.172 -4.646 1.824 1.00 0.00 C ATOM 699 CD2 LEU A 45 -1.817 -3.453 -0.309 1.00 0.00 C ATOM 0 H LEU A 45 -5.501 -5.985 -1.478 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.804 -3.902 0.390 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.184 -5.664 0.645 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.445 -5.307 -0.903 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.471 -3.096 1.054 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.461 -3.960 2.285 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.902 -4.965 2.568 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.640 -5.517 1.441 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.110 -2.811 0.217 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.289 -4.312 -0.722 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.285 -2.891 -1.118 1.00 0.00 H new ATOM 711 N LYS A 46 -4.446 -2.817 -2.437 1.00 0.00 N ATOM 712 CA LYS A 46 -4.214 -1.570 -3.187 1.00 0.00 C ATOM 713 C LYS A 46 -5.507 -0.878 -3.621 1.00 0.00 C ATOM 714 O LYS A 46 -5.509 0.331 -3.808 1.00 0.00 O ATOM 715 CB LYS A 46 -3.233 -1.785 -4.352 1.00 0.00 C ATOM 716 CG LYS A 46 -3.845 -2.489 -5.571 1.00 0.00 C ATOM 717 CD LYS A 46 -4.359 -1.547 -6.673 1.00 0.00 C ATOM 718 CE LYS A 46 -5.077 -2.364 -7.756 1.00 0.00 C ATOM 719 NZ LYS A 46 -5.604 -1.495 -8.843 1.00 0.00 N ATOM 0 H LYS A 46 -4.151 -3.661 -2.928 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.739 -0.875 -2.494 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.841 -0.817 -4.665 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.386 -2.372 -3.995 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.097 -3.154 -6.002 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.671 -3.115 -5.234 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.041 -0.811 -6.247 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -3.527 -0.995 -7.111 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.387 -3.095 -8.177 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.898 -2.922 -7.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -6.082 -2.082 -9.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -6.281 -0.813 -8.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.817 -0.981 -9.289 1.00 0.00 H new ATOM 733 N SER A 47 -6.602 -1.626 -3.776 1.00 0.00 N ATOM 734 CA SER A 47 -7.915 -1.084 -4.162 1.00 0.00 C ATOM 735 C SER A 47 -8.594 -0.349 -3.000 1.00 0.00 C ATOM 736 O SER A 47 -9.342 0.602 -3.231 1.00 0.00 O ATOM 737 CB SER A 47 -8.824 -2.202 -4.692 1.00 0.00 C ATOM 738 OG SER A 47 -10.002 -1.681 -5.291 1.00 0.00 O ATOM 0 H SER A 47 -6.606 -2.636 -3.636 1.00 0.00 H new ATOM 0 HA SER A 47 -7.747 -0.357 -4.957 1.00 0.00 H new ATOM 0 HB2 SER A 47 -8.278 -2.800 -5.422 1.00 0.00 H new ATOM 0 HB3 SER A 47 -9.096 -2.869 -3.874 1.00 0.00 H new ATOM 0 HG SER A 47 -10.557 -2.420 -5.619 1.00 0.00 H new ATOM 744 N VAL A 48 -8.301 -0.732 -1.749 1.00 0.00 N ATOM 745 CA VAL A 48 -8.798 -0.033 -0.553 1.00 0.00 C ATOM 746 C VAL A 48 -7.854 1.071 -0.049 1.00 0.00 C ATOM 747 O VAL A 48 -8.311 1.990 0.631 1.00 0.00 O ATOM 748 CB VAL A 48 -9.154 -1.034 0.560 1.00 0.00 C ATOM 749 CG1 VAL A 48 -7.937 -1.760 1.116 1.00 0.00 C ATOM 750 CG2 VAL A 48 -9.813 -0.346 1.749 1.00 0.00 C ATOM 0 H VAL A 48 -7.712 -1.537 -1.537 1.00 0.00 H new ATOM 0 HA VAL A 48 -9.710 0.483 -0.855 1.00 0.00 H new ATOM 0 HB VAL A 48 -9.831 -1.742 0.082 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.252 -2.452 1.897 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.447 -2.315 0.316 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.240 -1.034 1.534 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -10.049 -1.087 2.513 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -9.132 0.398 2.163 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -10.731 0.144 1.423 1.00 0.00 H new ATOM 760 N ILE A 49 -6.561 1.051 -0.409 1.00 0.00 N ATOM 761 CA ILE A 49 -5.622 2.121 -0.029 1.00 0.00 C ATOM 762 C ILE A 49 -6.176 3.519 -0.389 1.00 0.00 C ATOM 763 O ILE A 49 -6.188 4.382 0.491 1.00 0.00 O ATOM 764 CB ILE A 49 -4.191 1.906 -0.604 1.00 0.00 C ATOM 765 CG1 ILE A 49 -3.429 0.857 0.237 1.00 0.00 C ATOM 766 CG2 ILE A 49 -3.361 3.209 -0.635 1.00 0.00 C ATOM 767 CD1 ILE A 49 -2.046 0.455 -0.294 1.00 0.00 C ATOM 0 H ILE A 49 -6.141 0.305 -0.963 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.525 2.071 1.056 1.00 0.00 H new ATOM 0 HB ILE A 49 -4.319 1.559 -1.629 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.311 1.246 1.248 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -4.044 -0.040 0.310 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.373 3.001 -1.045 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.865 3.947 -1.260 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -3.259 3.600 0.377 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.602 -0.285 0.372 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.149 0.029 -1.292 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.404 1.335 -0.339 1.00 0.00 H new ATOM 779 N PRO A 50 -6.677 3.772 -1.621 1.00 0.00 N ATOM 780 CA PRO A 50 -7.232 5.075 -1.988 1.00 0.00 C ATOM 781 C PRO A 50 -8.618 5.333 -1.369 1.00 0.00 C ATOM 782 O PRO A 50 -8.993 6.486 -1.164 1.00 0.00 O ATOM 783 CB PRO A 50 -7.294 5.072 -3.519 1.00 0.00 C ATOM 784 CG PRO A 50 -7.469 3.594 -3.862 1.00 0.00 C ATOM 785 CD PRO A 50 -6.667 2.890 -2.783 1.00 0.00 C ATOM 0 HA PRO A 50 -6.608 5.881 -1.603 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -8.126 5.672 -3.889 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -6.385 5.482 -3.959 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -8.518 3.298 -3.842 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -7.092 3.365 -4.859 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.107 1.923 -2.540 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -5.647 2.701 -3.118 1.00 0.00 H new ATOM 793 N ASP A 51 -9.380 4.295 -1.008 1.00 0.00 N ATOM 794 CA ASP A 51 -10.655 4.435 -0.280 1.00 0.00 C ATOM 795 C ASP A 51 -10.456 5.002 1.134 1.00 0.00 C ATOM 796 O ASP A 51 -11.287 5.779 1.612 1.00 0.00 O ATOM 797 CB ASP A 51 -11.394 3.088 -0.214 1.00 0.00 C ATOM 798 CG ASP A 51 -12.493 2.968 -1.279 1.00 0.00 C ATOM 799 OD1 ASP A 51 -12.198 3.059 -2.493 1.00 0.00 O ATOM 800 OD2 ASP A 51 -13.667 2.782 -0.882 1.00 0.00 O ATOM 0 H ASP A 51 -9.132 3.327 -1.212 1.00 0.00 H new ATOM 0 HA ASP A 51 -11.263 5.148 -0.836 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -10.677 2.277 -0.343 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -11.836 2.968 0.775 1.00 0.00 H new ATOM 805 N ALA A 52 -9.322 4.713 1.780 1.00 0.00 N ATOM 806 CA ALA A 52 -8.914 5.372 3.024 1.00 0.00 C ATOM 807 C ALA A 52 -8.645 6.889 2.864 1.00 0.00 C ATOM 808 O ALA A 52 -8.546 7.604 3.862 1.00 0.00 O ATOM 809 CB ALA A 52 -7.706 4.630 3.607 1.00 0.00 C ATOM 0 H ALA A 52 -8.658 4.011 1.453 1.00 0.00 H new ATOM 0 HA ALA A 52 -9.749 5.316 3.722 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -7.395 5.113 4.533 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -7.979 3.595 3.811 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -6.884 4.654 2.891 1.00 0.00 H new ATOM 815 N LEU A 53 -8.583 7.387 1.622 1.00 0.00 N ATOM 816 CA LEU A 53 -8.364 8.793 1.250 1.00 0.00 C ATOM 817 C LEU A 53 -9.633 9.442 0.647 1.00 0.00 C ATOM 818 O LEU A 53 -9.670 10.658 0.449 1.00 0.00 O ATOM 819 CB LEU A 53 -7.193 8.887 0.244 1.00 0.00 C ATOM 820 CG LEU A 53 -5.985 7.960 0.496 1.00 0.00 C ATOM 821 CD1 LEU A 53 -4.970 8.054 -0.641 1.00 0.00 C ATOM 822 CD2 LEU A 53 -5.268 8.269 1.808 1.00 0.00 C ATOM 0 H LEU A 53 -8.690 6.787 0.804 1.00 0.00 H new ATOM 0 HA LEU A 53 -8.119 9.343 2.159 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -7.582 8.675 -0.752 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.835 9.917 0.234 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.395 6.952 0.553 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.131 7.390 -0.435 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.444 7.760 -1.577 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.610 9.079 -0.723 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.427 7.586 1.933 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.902 9.296 1.790 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.962 8.146 2.640 1.00 0.00 H new ATOM 834 N SER A 54 -10.675 8.643 0.373 1.00 0.00 N ATOM 835 CA SER A 54 -11.908 9.046 -0.335 1.00 0.00 C ATOM 836 C SER A 54 -13.172 8.938 0.536 1.00 0.00 C ATOM 837 O SER A 54 -14.100 9.738 0.396 1.00 0.00 O ATOM 838 CB SER A 54 -12.075 8.163 -1.581 1.00 0.00 C ATOM 839 OG SER A 54 -12.919 8.777 -2.543 1.00 0.00 O ATOM 0 H SER A 54 -10.686 7.661 0.647 1.00 0.00 H new ATOM 0 HA SER A 54 -11.798 10.097 -0.603 1.00 0.00 H new ATOM 0 HB2 SER A 54 -11.098 7.968 -2.024 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.492 7.198 -1.292 1.00 0.00 H new ATOM 0 HG SER A 54 -13.004 8.192 -3.324 1.00 0.00 H new ATOM 845 N ASN A 55 -13.197 7.973 1.461 1.00 0.00 N ATOM 846 CA ASN A 55 -14.292 7.693 2.402 1.00 0.00 C ATOM 847 C ASN A 55 -13.756 7.169 3.752 1.00 0.00 C ATOM 848 O ASN A 55 -14.474 6.488 4.480 1.00 0.00 O ATOM 849 CB ASN A 55 -15.335 6.743 1.752 1.00 0.00 C ATOM 850 CG ASN A 55 -14.761 5.756 0.750 1.00 0.00 C ATOM 851 OD1 ASN A 55 -14.728 6.002 -0.448 1.00 0.00 O ATOM 852 ND2 ASN A 55 -14.289 4.618 1.193 1.00 0.00 N ATOM 0 H ASN A 55 -12.414 7.331 1.582 1.00 0.00 H new ATOM 0 HA ASN A 55 -14.808 8.626 2.628 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -15.839 6.186 2.541 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -16.093 7.346 1.253 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -13.896 3.940 0.540 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -14.315 4.409 2.191 1.00 0.00 H new ATOM 859 N GLU A 56 -12.490 7.452 4.086 1.00 0.00 N ATOM 860 CA GLU A 56 -11.821 7.050 5.341 1.00 0.00 C ATOM 861 C GLU A 56 -11.973 5.548 5.679 1.00 0.00 C ATOM 862 O GLU A 56 -12.026 5.154 6.846 1.00 0.00 O ATOM 863 CB GLU A 56 -12.254 7.983 6.491 1.00 0.00 C ATOM 864 CG GLU A 56 -11.914 9.454 6.212 1.00 0.00 C ATOM 865 CD GLU A 56 -12.286 10.344 7.413 1.00 0.00 C ATOM 866 OE1 GLU A 56 -13.434 10.851 7.469 1.00 0.00 O ATOM 867 OE2 GLU A 56 -11.432 10.553 8.310 1.00 0.00 O ATOM 0 H GLU A 56 -11.877 7.987 3.471 1.00 0.00 H new ATOM 0 HA GLU A 56 -10.748 7.172 5.193 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -13.328 7.885 6.650 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -11.766 7.669 7.413 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.849 9.551 5.999 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -12.449 9.793 5.325 1.00 0.00 H new ATOM 874 N CYS A 57 -12.059 4.698 4.643 1.00 0.00 N ATOM 875 CA CYS A 57 -12.313 3.255 4.743 1.00 0.00 C ATOM 876 C CYS A 57 -13.625 2.904 5.493 1.00 0.00 C ATOM 877 O CYS A 57 -13.734 1.862 6.135 1.00 0.00 O ATOM 878 CB CYS A 57 -11.065 2.568 5.334 1.00 0.00 C ATOM 879 SG CYS A 57 -10.629 0.916 4.709 1.00 0.00 S ATOM 0 H CYS A 57 -11.949 5.010 3.678 1.00 0.00 H new ATOM 0 HA CYS A 57 -12.484 2.864 3.740 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -10.211 3.225 5.168 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -11.204 2.492 6.412 1.00 0.00 H new ATOM 884 N ALA A 58 -14.647 3.765 5.456 1.00 0.00 N ATOM 885 CA ALA A 58 -15.881 3.565 6.221 1.00 0.00 C ATOM 886 C ALA A 58 -16.715 2.342 5.784 1.00 0.00 C ATOM 887 O ALA A 58 -17.437 1.766 6.602 1.00 0.00 O ATOM 888 CB ALA A 58 -16.701 4.860 6.138 1.00 0.00 C ATOM 0 H ALA A 58 -14.642 4.618 4.896 1.00 0.00 H new ATOM 0 HA ALA A 58 -15.602 3.340 7.250 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -17.628 4.741 6.700 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -16.125 5.683 6.560 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -16.934 5.077 5.096 1.00 0.00 H new ATOM 894 N LYS A 59 -16.595 1.916 4.517 1.00 0.00 N ATOM 895 CA LYS A 59 -17.241 0.699 3.981 1.00 0.00 C ATOM 896 C LYS A 59 -16.440 -0.600 4.212 1.00 0.00 C ATOM 897 O LYS A 59 -16.905 -1.684 3.854 1.00 0.00 O ATOM 898 CB LYS A 59 -17.548 0.898 2.481 1.00 0.00 C ATOM 899 CG LYS A 59 -18.465 2.094 2.160 1.00 0.00 C ATOM 900 CD LYS A 59 -19.835 2.012 2.858 1.00 0.00 C ATOM 901 CE LYS A 59 -20.826 3.071 2.350 1.00 0.00 C ATOM 902 NZ LYS A 59 -20.438 4.454 2.738 1.00 0.00 N ATOM 0 H LYS A 59 -16.038 2.413 3.822 1.00 0.00 H new ATOM 0 HA LYS A 59 -18.166 0.564 4.542 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -16.607 1.027 1.946 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -18.012 -0.010 2.096 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -17.967 3.016 2.459 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -18.616 2.149 1.082 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -20.259 1.020 2.702 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -19.698 2.135 3.932 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -20.893 3.008 1.264 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -21.819 2.852 2.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -21.140 5.128 2.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -20.399 4.526 3.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -19.503 4.677 2.341 1.00 0.00 H new ATOM 916 N CYS A 60 -15.241 -0.506 4.788 1.00 0.00 N ATOM 917 CA CYS A 60 -14.314 -1.610 5.024 1.00 0.00 C ATOM 918 C CYS A 60 -14.680 -2.462 6.251 1.00 0.00 C ATOM 919 O CYS A 60 -15.437 -2.045 7.131 1.00 0.00 O ATOM 920 CB CYS A 60 -12.938 -0.985 5.268 1.00 0.00 C ATOM 921 SG CYS A 60 -12.318 0.066 3.932 1.00 0.00 S ATOM 0 H CYS A 60 -14.873 0.386 5.118 1.00 0.00 H new ATOM 0 HA CYS A 60 -14.343 -2.273 4.159 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -12.983 -0.393 6.182 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -12.219 -1.786 5.441 1.00 0.00 H new ATOM 926 N ASN A 61 -14.037 -3.626 6.354 1.00 0.00 N ATOM 927 CA ASN A 61 -13.866 -4.360 7.616 1.00 0.00 C ATOM 928 C ASN A 61 -12.666 -3.809 8.406 1.00 0.00 C ATOM 929 O ASN A 61 -11.713 -3.288 7.824 1.00 0.00 O ATOM 930 CB ASN A 61 -13.695 -5.868 7.339 1.00 0.00 C ATOM 931 CG ASN A 61 -12.525 -6.218 6.431 1.00 0.00 C ATOM 932 OD1 ASN A 61 -12.380 -5.708 5.333 1.00 0.00 O ATOM 933 ND2 ASN A 61 -11.655 -7.107 6.850 1.00 0.00 N ATOM 0 H ASN A 61 -13.613 -4.095 5.554 1.00 0.00 H new ATOM 0 HA ASN A 61 -14.761 -4.221 8.222 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -13.568 -6.386 8.289 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -14.613 -6.248 6.890 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -10.865 -7.366 6.258 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -11.768 -7.539 7.767 1.00 0.00 H new ATOM 940 N GLU A 62 -12.675 -3.973 9.732 1.00 0.00 N ATOM 941 CA GLU A 62 -11.640 -3.434 10.634 1.00 0.00 C ATOM 942 C GLU A 62 -10.202 -3.857 10.277 1.00 0.00 C ATOM 943 O GLU A 62 -9.265 -3.080 10.478 1.00 0.00 O ATOM 944 CB GLU A 62 -11.980 -3.766 12.099 1.00 0.00 C ATOM 945 CG GLU A 62 -11.957 -5.265 12.440 1.00 0.00 C ATOM 946 CD GLU A 62 -12.350 -5.500 13.911 1.00 0.00 C ATOM 947 OE1 GLU A 62 -13.562 -5.638 14.207 1.00 0.00 O ATOM 948 OE2 GLU A 62 -11.448 -5.553 14.784 1.00 0.00 O ATOM 0 H GLU A 62 -13.407 -4.489 10.220 1.00 0.00 H new ATOM 0 HA GLU A 62 -11.654 -2.353 10.498 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -11.273 -3.249 12.748 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -12.970 -3.371 12.327 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -12.644 -5.802 11.786 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -10.961 -5.669 12.256 1.00 0.00 H new ATOM 955 N LYS A 63 -10.022 -5.051 9.690 1.00 0.00 N ATOM 956 CA LYS A 63 -8.702 -5.542 9.260 1.00 0.00 C ATOM 957 C LYS A 63 -8.117 -4.738 8.103 1.00 0.00 C ATOM 958 O LYS A 63 -6.916 -4.503 8.082 1.00 0.00 O ATOM 959 CB LYS A 63 -8.782 -7.034 8.894 1.00 0.00 C ATOM 960 CG LYS A 63 -7.461 -7.786 9.150 1.00 0.00 C ATOM 961 CD LYS A 63 -7.089 -7.942 10.636 1.00 0.00 C ATOM 962 CE LYS A 63 -8.002 -8.932 11.371 1.00 0.00 C ATOM 963 NZ LYS A 63 -7.640 -9.042 12.810 1.00 0.00 N ATOM 0 H LYS A 63 -10.784 -5.702 9.500 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.025 -5.411 10.104 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -9.579 -7.502 9.472 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -9.052 -7.131 7.842 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.529 -8.777 8.700 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.654 -7.260 8.640 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.055 -8.279 10.715 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.145 -6.969 11.125 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.039 -8.609 11.279 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.931 -9.913 10.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.276 -9.719 13.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.658 -9.373 12.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.732 -8.111 13.263 1.00 0.00 H new ATOM 977 N GLN A 64 -8.958 -4.271 7.181 1.00 0.00 N ATOM 978 CA GLN A 64 -8.554 -3.303 6.147 1.00 0.00 C ATOM 979 C GLN A 64 -8.347 -1.900 6.731 1.00 0.00 C ATOM 980 O GLN A 64 -7.318 -1.283 6.457 1.00 0.00 O ATOM 981 CB GLN A 64 -9.586 -3.240 5.013 1.00 0.00 C ATOM 982 CG GLN A 64 -9.583 -4.518 4.170 1.00 0.00 C ATOM 983 CD GLN A 64 -10.455 -4.429 2.916 1.00 0.00 C ATOM 984 OE1 GLN A 64 -11.268 -3.535 2.718 1.00 0.00 O ATOM 985 NE2 GLN A 64 -10.281 -5.351 1.995 1.00 0.00 N ATOM 0 H GLN A 64 -9.938 -4.549 7.125 1.00 0.00 H new ATOM 0 HA GLN A 64 -7.603 -3.653 5.744 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -10.579 -3.084 5.434 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -9.373 -2.383 4.374 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -8.559 -4.745 3.874 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -9.929 -5.349 4.785 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -9.607 -6.102 2.146 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -10.820 -5.315 1.130 1.00 0.00 H new ATOM 994 N LYS A 65 -9.279 -1.418 7.568 1.00 0.00 N ATOM 995 CA LYS A 65 -9.211 -0.090 8.221 1.00 0.00 C ATOM 996 C LYS A 65 -7.895 0.144 8.967 1.00 0.00 C ATOM 997 O LYS A 65 -7.275 1.191 8.799 1.00 0.00 O ATOM 998 CB LYS A 65 -10.389 0.132 9.190 1.00 0.00 C ATOM 999 CG LYS A 65 -11.749 0.144 8.480 1.00 0.00 C ATOM 1000 CD LYS A 65 -12.954 0.389 9.397 1.00 0.00 C ATOM 1001 CE LYS A 65 -12.908 1.770 10.064 1.00 0.00 C ATOM 1002 NZ LYS A 65 -14.119 2.021 10.889 1.00 0.00 N ATOM 0 H LYS A 65 -10.116 -1.944 7.818 1.00 0.00 H new ATOM 0 HA LYS A 65 -9.271 0.633 7.407 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -10.385 -0.654 9.945 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -10.249 1.078 9.714 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -11.734 0.916 7.710 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -11.886 -0.811 7.972 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -13.873 0.298 8.818 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -12.985 -0.383 10.166 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -12.019 1.842 10.691 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -12.822 2.541 9.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -14.053 2.963 11.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -14.965 1.976 10.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -14.187 1.299 11.635 1.00 0.00 H new ATOM 1016 N GLU A 66 -7.456 -0.822 9.774 1.00 0.00 N ATOM 1017 CA GLU A 66 -6.128 -0.803 10.404 1.00 0.00 C ATOM 1018 C GLU A 66 -5.014 -1.226 9.433 1.00 0.00 C ATOM 1019 O GLU A 66 -3.925 -0.658 9.468 1.00 0.00 O ATOM 1020 CB GLU A 66 -6.125 -1.722 11.637 1.00 0.00 C ATOM 1021 CG GLU A 66 -6.963 -1.171 12.800 1.00 0.00 C ATOM 1022 CD GLU A 66 -6.289 0.041 13.472 1.00 0.00 C ATOM 1023 OE1 GLU A 66 -5.484 -0.151 14.417 1.00 0.00 O ATOM 1024 OE2 GLU A 66 -6.562 1.194 13.061 1.00 0.00 O ATOM 0 H GLU A 66 -8.010 -1.644 10.012 1.00 0.00 H new ATOM 0 HA GLU A 66 -5.923 0.225 10.704 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.508 -2.702 11.353 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.098 -1.866 11.973 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.947 -0.881 12.432 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.118 -1.956 13.540 1.00 0.00 H new ATOM 1031 N GLY A 67 -5.276 -2.202 8.558 1.00 0.00 N ATOM 1032 CA GLY A 67 -4.294 -2.836 7.674 1.00 0.00 C ATOM 1033 C GLY A 67 -3.666 -1.913 6.637 1.00 0.00 C ATOM 1034 O GLY A 67 -2.447 -1.896 6.504 1.00 0.00 O ATOM 0 H GLY A 67 -6.214 -2.586 8.442 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -3.500 -3.263 8.286 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.777 -3.664 7.155 1.00 0.00 H new ATOM 1038 N THR A 68 -4.445 -1.106 5.918 1.00 0.00 N ATOM 1039 CA THR A 68 -3.865 -0.120 4.989 1.00 0.00 C ATOM 1040 C THR A 68 -3.269 1.077 5.726 1.00 0.00 C ATOM 1041 O THR A 68 -2.205 1.550 5.335 1.00 0.00 O ATOM 1042 CB THR A 68 -4.876 0.355 3.945 1.00 0.00 C ATOM 1043 OG1 THR A 68 -6.046 0.846 4.560 1.00 0.00 O ATOM 1044 CG2 THR A 68 -5.227 -0.803 3.018 1.00 0.00 C ATOM 0 H THR A 68 -5.464 -1.109 5.955 1.00 0.00 H new ATOM 0 HA THR A 68 -3.059 -0.636 4.467 1.00 0.00 H new ATOM 0 HB THR A 68 -4.428 1.166 3.371 1.00 0.00 H new ATOM 0 HG1 THR A 68 -6.676 1.145 3.872 1.00 0.00 H new ATOM 0 HG21 THR A 68 -5.948 -0.467 2.273 1.00 0.00 H new ATOM 0 HG22 THR A 68 -4.325 -1.155 2.518 1.00 0.00 H new ATOM 0 HG23 THR A 68 -5.660 -1.617 3.600 1.00 0.00 H new ATOM 1052 N LYS A 69 -3.883 1.517 6.834 1.00 0.00 N ATOM 1053 CA LYS A 69 -3.397 2.597 7.716 1.00 0.00 C ATOM 1054 C LYS A 69 -1.994 2.322 8.276 1.00 0.00 C ATOM 1055 O LYS A 69 -1.095 3.144 8.112 1.00 0.00 O ATOM 1056 CB LYS A 69 -4.426 2.813 8.827 1.00 0.00 C ATOM 1057 CG LYS A 69 -4.156 4.098 9.619 1.00 0.00 C ATOM 1058 CD LYS A 69 -4.862 4.059 10.973 1.00 0.00 C ATOM 1059 CE LYS A 69 -6.390 3.952 10.861 1.00 0.00 C ATOM 1060 NZ LYS A 69 -7.016 3.780 12.196 1.00 0.00 N ATOM 0 H LYS A 69 -4.765 1.118 7.156 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.292 3.510 7.130 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.425 2.858 8.392 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -4.412 1.960 9.505 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -3.083 4.221 9.767 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -4.500 4.961 9.049 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.487 3.211 11.546 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -4.608 4.959 11.533 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.786 4.848 10.384 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -6.652 3.109 10.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -8.049 3.728 12.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -6.668 2.903 12.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -6.770 4.589 12.801 1.00 0.00 H new ATOM 1074 N LYS A 70 -1.778 1.156 8.895 1.00 0.00 N ATOM 1075 CA LYS A 70 -0.456 0.725 9.392 1.00 0.00 C ATOM 1076 C LYS A 70 0.543 0.615 8.241 1.00 0.00 C ATOM 1077 O LYS A 70 1.658 1.119 8.340 1.00 0.00 O ATOM 1078 CB LYS A 70 -0.563 -0.563 10.254 1.00 0.00 C ATOM 1079 CG LYS A 70 -0.850 -1.850 9.458 1.00 0.00 C ATOM 1080 CD LYS A 70 -1.288 -3.082 10.264 1.00 0.00 C ATOM 1081 CE LYS A 70 -0.119 -3.763 10.990 1.00 0.00 C ATOM 1082 NZ LYS A 70 -0.570 -4.983 11.713 1.00 0.00 N ATOM 0 H LYS A 70 -2.518 0.476 9.069 1.00 0.00 H new ATOM 0 HA LYS A 70 -0.066 1.490 10.064 1.00 0.00 H new ATOM 0 HB2 LYS A 70 0.368 -0.693 10.805 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.353 -0.425 10.992 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -1.627 -1.630 8.726 1.00 0.00 H new ATOM 0 HG3 LYS A 70 0.049 -2.112 8.900 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -2.040 -2.784 10.995 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -1.761 -3.800 9.594 1.00 0.00 H new ATOM 0 HE2 LYS A 70 0.654 -4.029 10.269 1.00 0.00 H new ATOM 0 HE3 LYS A 70 0.330 -3.064 11.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 0.239 -5.620 11.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -0.967 -4.713 12.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -1.298 -5.470 11.152 1.00 0.00 H new ATOM 1096 N VAL A 71 0.156 -0.006 7.129 1.00 0.00 N ATOM 1097 CA VAL A 71 1.050 -0.270 5.989 1.00 0.00 C ATOM 1098 C VAL A 71 1.498 1.004 5.289 1.00 0.00 C ATOM 1099 O VAL A 71 2.687 1.130 5.017 1.00 0.00 O ATOM 1100 CB VAL A 71 0.395 -1.279 5.031 1.00 0.00 C ATOM 1101 CG1 VAL A 71 1.105 -1.465 3.690 1.00 0.00 C ATOM 1102 CG2 VAL A 71 0.457 -2.623 5.749 1.00 0.00 C ATOM 0 H VAL A 71 -0.795 -0.346 6.986 1.00 0.00 H new ATOM 0 HA VAL A 71 1.967 -0.718 6.373 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.603 -0.907 4.799 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.563 -2.196 3.090 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.137 -0.513 3.160 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.121 -1.819 3.862 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.006 -3.392 5.122 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.497 -2.881 5.948 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.088 -2.558 6.691 1.00 0.00 H new ATOM 1112 N LEU A 72 0.616 1.989 5.117 1.00 0.00 N ATOM 1113 CA LEU A 72 0.942 3.324 4.599 1.00 0.00 C ATOM 1114 C LEU A 72 2.151 3.946 5.301 1.00 0.00 C ATOM 1115 O LEU A 72 3.041 4.456 4.621 1.00 0.00 O ATOM 1116 CB LEU A 72 -0.345 4.174 4.629 1.00 0.00 C ATOM 1117 CG LEU A 72 -0.281 5.684 4.916 1.00 0.00 C ATOM 1118 CD1 LEU A 72 -1.626 6.262 4.489 1.00 0.00 C ATOM 1119 CD2 LEU A 72 -0.120 5.999 6.409 1.00 0.00 C ATOM 0 H LEU A 72 -0.373 1.880 5.340 1.00 0.00 H new ATOM 0 HA LEU A 72 1.274 3.264 3.563 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -0.833 4.051 3.662 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.004 3.733 5.377 1.00 0.00 H new ATOM 0 HG LEU A 72 0.576 6.100 4.386 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.635 7.337 4.672 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.782 6.073 3.427 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.424 5.790 5.063 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.081 7.079 6.551 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.967 5.591 6.960 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.803 5.551 6.778 1.00 0.00 H new ATOM 1131 N LYS A 73 2.234 3.836 6.634 1.00 0.00 N ATOM 1132 CA LYS A 73 3.292 4.462 7.440 1.00 0.00 C ATOM 1133 C LYS A 73 4.639 3.760 7.244 1.00 0.00 C ATOM 1134 O LYS A 73 5.663 4.410 7.039 1.00 0.00 O ATOM 1135 CB LYS A 73 2.847 4.424 8.915 1.00 0.00 C ATOM 1136 CG LYS A 73 3.847 5.040 9.909 1.00 0.00 C ATOM 1137 CD LYS A 73 4.220 6.504 9.624 1.00 0.00 C ATOM 1138 CE LYS A 73 3.037 7.486 9.668 1.00 0.00 C ATOM 1139 NZ LYS A 73 2.438 7.598 11.027 1.00 0.00 N ATOM 0 H LYS A 73 1.562 3.305 7.189 1.00 0.00 H new ATOM 0 HA LYS A 73 3.438 5.494 7.121 1.00 0.00 H new ATOM 0 HB2 LYS A 73 1.896 4.949 9.006 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.667 3.387 9.199 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.427 4.976 10.913 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.757 4.440 9.906 1.00 0.00 H new ATOM 0 HD2 LYS A 73 4.967 6.823 10.351 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.687 6.562 8.641 1.00 0.00 H new ATOM 0 HE2 LYS A 73 3.373 8.470 9.341 1.00 0.00 H new ATOM 0 HE3 LYS A 73 2.272 7.160 8.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 1.646 8.271 11.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 2.091 6.666 11.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 3.158 7.935 11.697 1.00 0.00 H new ATOM 1153 N HIS A 74 4.634 2.427 7.255 1.00 0.00 N ATOM 1154 CA HIS A 74 5.808 1.594 6.957 1.00 0.00 C ATOM 1155 C HIS A 74 6.281 1.798 5.517 1.00 0.00 C ATOM 1156 O HIS A 74 7.475 1.972 5.304 1.00 0.00 O ATOM 1157 CB HIS A 74 5.510 0.107 7.208 1.00 0.00 C ATOM 1158 CG HIS A 74 5.163 -0.228 8.636 1.00 0.00 C ATOM 1159 ND1 HIS A 74 3.894 -0.190 9.166 1.00 0.00 N ATOM 1160 CD2 HIS A 74 5.988 -0.760 9.589 1.00 0.00 C ATOM 1161 CE1 HIS A 74 3.919 -0.729 10.392 1.00 0.00 C ATOM 1162 NE2 HIS A 74 5.195 -1.053 10.691 1.00 0.00 N ATOM 0 H HIS A 74 3.800 1.882 7.475 1.00 0.00 H new ATOM 0 HA HIS A 74 6.607 1.906 7.630 1.00 0.00 H new ATOM 0 HB2 HIS A 74 4.684 -0.199 6.565 1.00 0.00 H new ATOM 0 HB3 HIS A 74 6.379 -0.480 6.911 1.00 0.00 H new ATOM 0 HD1 HIS A 74 3.068 0.187 8.701 1.00 0.00 H new ATOM 0 HD2 HIS A 74 7.052 -0.921 9.501 1.00 0.00 H new ATOM 0 HE1 HIS A 74 3.063 -0.879 11.033 1.00 0.00 H new ATOM 1171 N LEU A 75 5.375 1.832 4.537 1.00 0.00 N ATOM 1172 CA LEU A 75 5.726 2.013 3.126 1.00 0.00 C ATOM 1173 C LEU A 75 6.435 3.355 2.901 1.00 0.00 C ATOM 1174 O LEU A 75 7.481 3.381 2.260 1.00 0.00 O ATOM 1175 CB LEU A 75 4.465 1.940 2.241 1.00 0.00 C ATOM 1176 CG LEU A 75 4.256 0.590 1.538 1.00 0.00 C ATOM 1177 CD1 LEU A 75 4.384 -0.604 2.485 1.00 0.00 C ATOM 1178 CD2 LEU A 75 2.881 0.600 0.867 1.00 0.00 C ATOM 0 H LEU A 75 4.373 1.734 4.700 1.00 0.00 H new ATOM 0 HA LEU A 75 6.407 1.208 2.849 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.592 2.153 2.857 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.521 2.724 1.485 1.00 0.00 H new ATOM 0 HG LEU A 75 5.045 0.469 0.796 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.226 -1.528 1.929 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.380 -0.612 2.927 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.637 -0.524 3.275 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.715 -0.352 0.362 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.109 0.750 1.622 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.838 1.409 0.138 1.00 0.00 H new ATOM 1190 N ILE A 76 5.927 4.458 3.463 1.00 0.00 N ATOM 1191 CA ILE A 76 6.604 5.763 3.363 1.00 0.00 C ATOM 1192 C ILE A 76 7.963 5.762 4.094 1.00 0.00 C ATOM 1193 O ILE A 76 8.933 6.308 3.570 1.00 0.00 O ATOM 1194 CB ILE A 76 5.644 6.910 3.771 1.00 0.00 C ATOM 1195 CG1 ILE A 76 6.156 8.311 3.395 1.00 0.00 C ATOM 1196 CG2 ILE A 76 5.181 6.923 5.232 1.00 0.00 C ATOM 1197 CD1 ILE A 76 6.995 9.028 4.466 1.00 0.00 C ATOM 0 H ILE A 76 5.054 4.477 3.990 1.00 0.00 H new ATOM 0 HA ILE A 76 6.860 5.953 2.321 1.00 0.00 H new ATOM 0 HB ILE A 76 4.767 6.668 3.170 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.755 8.227 2.488 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.298 8.938 3.153 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.515 7.770 5.395 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.651 5.997 5.454 1.00 0.00 H new ATOM 0 HG23 ILE A 76 6.047 7.011 5.887 1.00 0.00 H new ATOM 0 HD11 ILE A 76 7.302 10.005 4.094 1.00 0.00 H new ATOM 0 HD12 ILE A 76 6.399 9.155 5.370 1.00 0.00 H new ATOM 0 HD13 ILE A 76 7.879 8.433 4.694 1.00 0.00 H new ATOM 1209 N ASN A 77 8.077 5.073 5.240 1.00 0.00 N ATOM 1210 CA ASN A 77 9.335 4.942 6.001 1.00 0.00 C ATOM 1211 C ASN A 77 10.402 4.044 5.335 1.00 0.00 C ATOM 1212 O ASN A 77 11.600 4.285 5.500 1.00 0.00 O ATOM 1213 CB ASN A 77 9.019 4.409 7.413 1.00 0.00 C ATOM 1214 CG ASN A 77 8.729 5.532 8.392 1.00 0.00 C ATOM 1215 OD1 ASN A 77 9.591 5.935 9.159 1.00 0.00 O ATOM 1216 ND2 ASN A 77 7.535 6.078 8.381 1.00 0.00 N ATOM 0 H ASN A 77 7.292 4.585 5.671 1.00 0.00 H new ATOM 0 HA ASN A 77 9.772 5.940 6.038 1.00 0.00 H new ATOM 0 HB2 ASN A 77 8.160 3.740 7.364 1.00 0.00 H new ATOM 0 HB3 ASN A 77 9.862 3.820 7.776 1.00 0.00 H new ATOM 0 HD21 ASN A 77 7.320 6.846 9.017 1.00 0.00 H new ATOM 0 HD22 ASN A 77 6.823 5.734 7.737 1.00 0.00 H new ATOM 1223 N HIS A 78 9.986 3.000 4.607 1.00 0.00 N ATOM 1224 CA HIS A 78 10.869 1.922 4.108 1.00 0.00 C ATOM 1225 C HIS A 78 11.002 1.837 2.582 1.00 0.00 C ATOM 1226 O HIS A 78 12.008 1.333 2.080 1.00 0.00 O ATOM 1227 CB HIS A 78 10.377 0.568 4.635 1.00 0.00 C ATOM 1228 CG HIS A 78 10.584 0.383 6.121 1.00 0.00 C ATOM 1229 ND1 HIS A 78 11.806 0.192 6.744 1.00 0.00 N ATOM 1230 CD2 HIS A 78 9.617 0.370 7.093 1.00 0.00 C ATOM 1231 CE1 HIS A 78 11.589 0.073 8.069 1.00 0.00 C ATOM 1232 NE2 HIS A 78 10.265 0.182 8.304 1.00 0.00 N ATOM 0 H HIS A 78 9.010 2.873 4.340 1.00 0.00 H new ATOM 0 HA HIS A 78 11.861 2.173 4.483 1.00 0.00 H new ATOM 0 HB2 HIS A 78 9.316 0.464 4.409 1.00 0.00 H new ATOM 0 HB3 HIS A 78 10.896 -0.229 4.103 1.00 0.00 H new ATOM 0 HD2 HIS A 78 8.554 0.484 6.944 1.00 0.00 H new ATOM 0 HE1 HIS A 78 12.350 -0.084 8.819 1.00 0.00 H new ATOM 0 HE2 HIS A 78 9.816 0.134 9.219 1.00 0.00 H new ATOM 1241 N LYS A 79 10.024 2.365 1.848 1.00 0.00 N ATOM 1242 CA LYS A 79 9.993 2.480 0.383 1.00 0.00 C ATOM 1243 C LYS A 79 9.637 3.914 -0.045 1.00 0.00 C ATOM 1244 O LYS A 79 8.694 4.098 -0.809 1.00 0.00 O ATOM 1245 CB LYS A 79 9.059 1.392 -0.204 1.00 0.00 C ATOM 1246 CG LYS A 79 9.692 0.003 -0.386 1.00 0.00 C ATOM 1247 CD LYS A 79 10.573 -0.108 -1.643 1.00 0.00 C ATOM 1248 CE LYS A 79 11.895 0.651 -1.492 1.00 0.00 C ATOM 1249 NZ LYS A 79 12.880 0.331 -2.556 1.00 0.00 N ATOM 0 H LYS A 79 9.183 2.747 2.280 1.00 0.00 H new ATOM 0 HA LYS A 79 10.984 2.295 -0.031 1.00 0.00 H new ATOM 0 HB2 LYS A 79 8.191 1.294 0.447 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.694 1.735 -1.172 1.00 0.00 H new ATOM 0 HG2 LYS A 79 10.294 -0.232 0.492 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.901 -0.745 -0.439 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.780 -1.158 -1.848 1.00 0.00 H new ATOM 0 HD3 LYS A 79 10.028 0.283 -2.502 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.694 1.722 -1.502 1.00 0.00 H new ATOM 0 HE3 LYS A 79 12.331 0.418 -0.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 13.808 0.145 -2.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 12.565 -0.512 -3.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 12.957 1.135 -3.211 1.00 0.00 H new ATOM 1263 N PRO A 80 10.377 4.941 0.415 1.00 0.00 N ATOM 1264 CA PRO A 80 10.076 6.352 0.128 1.00 0.00 C ATOM 1265 C PRO A 80 10.092 6.667 -1.379 1.00 0.00 C ATOM 1266 O PRO A 80 9.251 7.407 -1.888 1.00 0.00 O ATOM 1267 CB PRO A 80 11.154 7.144 0.879 1.00 0.00 C ATOM 1268 CG PRO A 80 12.329 6.170 0.966 1.00 0.00 C ATOM 1269 CD PRO A 80 11.650 4.814 1.115 1.00 0.00 C ATOM 0 HA PRO A 80 9.068 6.614 0.451 1.00 0.00 H new ATOM 0 HB2 PRO A 80 11.427 8.054 0.344 1.00 0.00 H new ATOM 0 HB3 PRO A 80 10.811 7.447 1.868 1.00 0.00 H new ATOM 0 HG2 PRO A 80 12.953 6.212 0.073 1.00 0.00 H new ATOM 0 HG3 PRO A 80 12.974 6.393 1.816 1.00 0.00 H new ATOM 0 HD2 PRO A 80 12.259 4.020 0.683 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.498 4.564 2.165 1.00 0.00 H new ATOM 1277 N ASP A 81 11.029 6.052 -2.100 1.00 0.00 N ATOM 1278 CA ASP A 81 11.204 6.119 -3.554 1.00 0.00 C ATOM 1279 C ASP A 81 10.033 5.527 -4.367 1.00 0.00 C ATOM 1280 O ASP A 81 9.679 6.070 -5.416 1.00 0.00 O ATOM 1281 CB ASP A 81 12.529 5.420 -3.916 1.00 0.00 C ATOM 1282 CG ASP A 81 12.591 3.937 -3.493 1.00 0.00 C ATOM 1283 OD1 ASP A 81 12.418 3.649 -2.286 1.00 0.00 O ATOM 1284 OD2 ASP A 81 12.823 3.060 -4.356 1.00 0.00 O ATOM 0 H ASP A 81 11.730 5.457 -1.659 1.00 0.00 H new ATOM 0 HA ASP A 81 11.226 7.174 -3.829 1.00 0.00 H new ATOM 0 HB2 ASP A 81 12.681 5.487 -4.993 1.00 0.00 H new ATOM 0 HB3 ASP A 81 13.352 5.957 -3.444 1.00 0.00 H new ATOM 1289 N VAL A 82 9.416 4.433 -3.904 1.00 0.00 N ATOM 1290 CA VAL A 82 8.205 3.857 -4.526 1.00 0.00 C ATOM 1291 C VAL A 82 6.925 4.527 -4.021 1.00 0.00 C ATOM 1292 O VAL A 82 6.016 4.783 -4.808 1.00 0.00 O ATOM 1293 CB VAL A 82 8.139 2.331 -4.337 1.00 0.00 C ATOM 1294 CG1 VAL A 82 6.868 1.753 -4.964 1.00 0.00 C ATOM 1295 CG2 VAL A 82 9.343 1.644 -4.992 1.00 0.00 C ATOM 0 H VAL A 82 9.739 3.917 -3.086 1.00 0.00 H new ATOM 0 HA VAL A 82 8.278 4.058 -5.595 1.00 0.00 H new ATOM 0 HB VAL A 82 8.141 2.145 -3.263 1.00 0.00 H new ATOM 0 HG11 VAL A 82 6.848 0.673 -4.816 1.00 0.00 H new ATOM 0 HG12 VAL A 82 5.993 2.201 -4.492 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.857 1.973 -6.032 1.00 0.00 H new ATOM 0 HG21 VAL A 82 9.272 0.566 -4.844 1.00 0.00 H new ATOM 0 HG22 VAL A 82 9.351 1.864 -6.060 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.263 2.013 -4.539 1.00 0.00 H new ATOM 1305 N TRP A 83 6.865 4.884 -2.736 1.00 0.00 N ATOM 1306 CA TRP A 83 5.779 5.673 -2.150 1.00 0.00 C ATOM 1307 C TRP A 83 5.500 6.956 -2.942 1.00 0.00 C ATOM 1308 O TRP A 83 4.340 7.245 -3.229 1.00 0.00 O ATOM 1309 CB TRP A 83 6.119 6.000 -0.691 1.00 0.00 C ATOM 1310 CG TRP A 83 5.294 7.106 -0.118 1.00 0.00 C ATOM 1311 CD1 TRP A 83 5.727 8.366 0.113 1.00 0.00 C ATOM 1312 CD2 TRP A 83 3.867 7.114 0.171 1.00 0.00 C ATOM 1313 NE1 TRP A 83 4.676 9.141 0.558 1.00 0.00 N ATOM 1314 CE2 TRP A 83 3.501 8.425 0.601 1.00 0.00 C ATOM 1315 CE3 TRP A 83 2.841 6.149 0.082 1.00 0.00 C ATOM 1316 CZ2 TRP A 83 2.185 8.762 0.936 1.00 0.00 C ATOM 1317 CZ3 TRP A 83 1.509 6.486 0.384 1.00 0.00 C ATOM 1318 CH2 TRP A 83 1.185 7.788 0.803 1.00 0.00 C ATOM 0 H TRP A 83 7.585 4.627 -2.060 1.00 0.00 H new ATOM 0 HA TRP A 83 4.868 5.077 -2.191 1.00 0.00 H new ATOM 0 HB2 TRP A 83 5.982 5.104 -0.085 1.00 0.00 H new ATOM 0 HB3 TRP A 83 7.172 6.272 -0.624 1.00 0.00 H new ATOM 0 HD1 TRP A 83 6.740 8.712 -0.029 1.00 0.00 H new ATOM 0 HE1 TRP A 83 4.759 10.123 0.822 1.00 0.00 H new ATOM 0 HE3 TRP A 83 3.081 5.141 -0.221 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 1.944 9.753 1.290 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 0.732 5.741 0.294 1.00 0.00 H new ATOM 0 HH2 TRP A 83 0.158 8.040 1.024 1.00 0.00 H new ATOM 1329 N ALA A 84 6.542 7.668 -3.384 1.00 0.00 N ATOM 1330 CA ALA A 84 6.425 8.839 -4.257 1.00 0.00 C ATOM 1331 C ALA A 84 5.568 8.589 -5.517 1.00 0.00 C ATOM 1332 O ALA A 84 4.889 9.501 -5.986 1.00 0.00 O ATOM 1333 CB ALA A 84 7.840 9.289 -4.640 1.00 0.00 C ATOM 0 H ALA A 84 7.506 7.442 -3.141 1.00 0.00 H new ATOM 0 HA ALA A 84 5.901 9.621 -3.707 1.00 0.00 H new ATOM 0 HB1 ALA A 84 7.781 10.161 -5.291 1.00 0.00 H new ATOM 0 HB2 ALA A 84 8.396 9.546 -3.739 1.00 0.00 H new ATOM 0 HB3 ALA A 84 8.350 8.480 -5.163 1.00 0.00 H new ATOM 1339 N GLN A 85 5.563 7.362 -6.048 1.00 0.00 N ATOM 1340 CA GLN A 85 4.764 6.957 -7.213 1.00 0.00 C ATOM 1341 C GLN A 85 3.291 6.713 -6.843 1.00 0.00 C ATOM 1342 O GLN A 85 2.398 7.107 -7.593 1.00 0.00 O ATOM 1343 CB GLN A 85 5.384 5.708 -7.876 1.00 0.00 C ATOM 1344 CG GLN A 85 6.912 5.849 -8.010 1.00 0.00 C ATOM 1345 CD GLN A 85 7.553 4.929 -9.046 1.00 0.00 C ATOM 1346 OE1 GLN A 85 7.026 4.674 -10.121 1.00 0.00 O ATOM 1347 NE2 GLN A 85 8.732 4.410 -8.772 1.00 0.00 N ATOM 0 H GLN A 85 6.129 6.602 -5.671 1.00 0.00 H new ATOM 0 HA GLN A 85 4.779 7.778 -7.930 1.00 0.00 H new ATOM 0 HB2 GLN A 85 5.148 4.824 -7.284 1.00 0.00 H new ATOM 0 HB3 GLN A 85 4.942 5.559 -8.861 1.00 0.00 H new ATOM 0 HG2 GLN A 85 7.146 6.882 -8.268 1.00 0.00 H new ATOM 0 HG3 GLN A 85 7.367 5.652 -7.039 1.00 0.00 H new ATOM 0 HE21 GLN A 85 9.184 4.613 -7.880 1.00 0.00 H new ATOM 0 HE22 GLN A 85 9.193 3.805 -9.451 1.00 0.00 H new ATOM 1356 N LEU A 86 3.038 6.136 -5.660 1.00 0.00 N ATOM 1357 CA LEU A 86 1.698 5.976 -5.061 1.00 0.00 C ATOM 1358 C LEU A 86 1.051 7.346 -4.840 1.00 0.00 C ATOM 1359 O LEU A 86 0.055 7.660 -5.491 1.00 0.00 O ATOM 1360 CB LEU A 86 1.836 5.203 -3.724 1.00 0.00 C ATOM 1361 CG LEU A 86 0.588 4.566 -3.086 1.00 0.00 C ATOM 1362 CD1 LEU A 86 -0.430 5.603 -2.622 1.00 0.00 C ATOM 1363 CD2 LEU A 86 -0.089 3.557 -4.009 1.00 0.00 C ATOM 0 H LEU A 86 3.780 5.755 -5.073 1.00 0.00 H new ATOM 0 HA LEU A 86 1.054 5.410 -5.735 1.00 0.00 H new ATOM 0 HB2 LEU A 86 2.565 4.408 -3.880 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.263 5.889 -2.992 1.00 0.00 H new ATOM 0 HG LEU A 86 0.957 4.035 -2.208 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.289 5.098 -2.181 1.00 0.00 H new ATOM 0 HD12 LEU A 86 0.028 6.256 -1.879 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.758 6.198 -3.475 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -0.963 3.138 -3.511 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -0.399 4.055 -4.928 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.611 2.756 -4.249 1.00 0.00 H new ATOM 1375 N LYS A 87 1.646 8.202 -3.996 1.00 0.00 N ATOM 1376 CA LYS A 87 1.078 9.519 -3.662 1.00 0.00 C ATOM 1377 C LYS A 87 0.898 10.430 -4.881 1.00 0.00 C ATOM 1378 O LYS A 87 0.020 11.279 -4.885 1.00 0.00 O ATOM 1379 CB LYS A 87 1.849 10.248 -2.549 1.00 0.00 C ATOM 1380 CG LYS A 87 3.377 10.201 -2.670 1.00 0.00 C ATOM 1381 CD LYS A 87 4.077 11.428 -2.074 1.00 0.00 C ATOM 1382 CE LYS A 87 4.106 12.565 -3.101 1.00 0.00 C ATOM 1383 NZ LYS A 87 4.693 13.810 -2.535 1.00 0.00 N ATOM 0 H LYS A 87 2.530 8.003 -3.527 1.00 0.00 H new ATOM 0 HA LYS A 87 0.084 9.294 -3.276 1.00 0.00 H new ATOM 0 HB2 LYS A 87 1.534 11.291 -2.535 1.00 0.00 H new ATOM 0 HB3 LYS A 87 1.564 9.816 -1.590 1.00 0.00 H new ATOM 0 HG2 LYS A 87 3.745 9.305 -2.171 1.00 0.00 H new ATOM 0 HG3 LYS A 87 3.647 10.114 -3.722 1.00 0.00 H new ATOM 0 HD2 LYS A 87 3.555 11.753 -1.174 1.00 0.00 H new ATOM 0 HD3 LYS A 87 5.093 11.169 -1.777 1.00 0.00 H new ATOM 0 HE2 LYS A 87 4.685 12.254 -3.971 1.00 0.00 H new ATOM 0 HE3 LYS A 87 3.093 12.767 -3.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 4.694 14.554 -3.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 4.126 14.122 -1.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 5.669 13.625 -2.227 1.00 0.00 H new ATOM 1397 N ALA A 88 1.704 10.264 -5.924 1.00 0.00 N ATOM 1398 CA ALA A 88 1.625 11.085 -7.138 1.00 0.00 C ATOM 1399 C ALA A 88 0.321 10.853 -7.919 1.00 0.00 C ATOM 1400 O ALA A 88 -0.364 11.811 -8.278 1.00 0.00 O ATOM 1401 CB ALA A 88 2.842 10.807 -8.024 1.00 0.00 C ATOM 0 H ALA A 88 2.436 9.554 -5.956 1.00 0.00 H new ATOM 0 HA ALA A 88 1.624 12.132 -6.833 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.783 11.417 -8.925 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.753 11.053 -7.479 1.00 0.00 H new ATOM 0 HB3 ALA A 88 2.858 9.753 -8.300 1.00 0.00 H new ATOM 1407 N LYS A 89 -0.036 9.586 -8.173 1.00 0.00 N ATOM 1408 CA LYS A 89 -1.288 9.214 -8.857 1.00 0.00 C ATOM 1409 C LYS A 89 -2.515 9.213 -7.941 1.00 0.00 C ATOM 1410 O LYS A 89 -3.611 9.560 -8.382 1.00 0.00 O ATOM 1411 CB LYS A 89 -1.097 7.890 -9.616 1.00 0.00 C ATOM 1412 CG LYS A 89 -0.725 6.663 -8.770 1.00 0.00 C ATOM 1413 CD LYS A 89 0.106 5.591 -9.498 1.00 0.00 C ATOM 1414 CE LYS A 89 -0.640 4.815 -10.596 1.00 0.00 C ATOM 1415 NZ LYS A 89 -0.677 5.530 -11.901 1.00 0.00 N ATOM 0 H LYS A 89 0.537 8.784 -7.909 1.00 0.00 H new ATOM 0 HA LYS A 89 -1.508 9.994 -9.585 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -2.020 7.668 -10.152 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -0.320 8.036 -10.366 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -0.168 7.000 -7.896 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -1.643 6.202 -8.405 1.00 0.00 H new ATOM 0 HD2 LYS A 89 0.977 6.071 -9.943 1.00 0.00 H new ATOM 0 HD3 LYS A 89 0.476 4.879 -8.760 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -0.162 3.845 -10.734 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -1.661 4.623 -10.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -1.040 4.891 -12.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -1.300 6.359 -11.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 0.283 5.840 -12.154 1.00 0.00 H new ATOM 1429 N TYR A 90 -2.329 8.854 -6.672 1.00 0.00 N ATOM 1430 CA TYR A 90 -3.399 8.805 -5.657 1.00 0.00 C ATOM 1431 C TYR A 90 -3.705 10.175 -5.022 1.00 0.00 C ATOM 1432 O TYR A 90 -4.768 10.352 -4.424 1.00 0.00 O ATOM 1433 CB TYR A 90 -3.054 7.756 -4.576 1.00 0.00 C ATOM 1434 CG TYR A 90 -3.273 6.293 -4.959 1.00 0.00 C ATOM 1435 CD1 TYR A 90 -3.318 5.866 -6.302 1.00 0.00 C ATOM 1436 CD2 TYR A 90 -3.394 5.333 -3.938 1.00 0.00 C ATOM 1437 CE1 TYR A 90 -3.422 4.503 -6.628 1.00 0.00 C ATOM 1438 CE2 TYR A 90 -3.497 3.963 -4.256 1.00 0.00 C ATOM 1439 CZ TYR A 90 -3.510 3.542 -5.601 1.00 0.00 C ATOM 1440 OH TYR A 90 -3.603 2.219 -5.905 1.00 0.00 O ATOM 0 H TYR A 90 -1.416 8.583 -6.306 1.00 0.00 H new ATOM 0 HA TYR A 90 -4.312 8.508 -6.173 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -2.008 7.884 -4.297 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -3.650 7.970 -3.689 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -3.272 6.599 -7.094 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -3.408 5.647 -2.905 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -3.434 4.193 -7.662 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -3.566 3.232 -3.464 1.00 0.00 H new ATOM 0 HH TYR A 90 -3.654 1.696 -5.078 1.00 0.00 H new ATOM 1450 N ASP A 91 -2.804 11.151 -5.161 1.00 0.00 N ATOM 1451 CA ASP A 91 -2.920 12.492 -4.569 1.00 0.00 C ATOM 1452 C ASP A 91 -2.073 13.548 -5.325 1.00 0.00 C ATOM 1453 O ASP A 91 -1.107 14.094 -4.778 1.00 0.00 O ATOM 1454 CB ASP A 91 -2.542 12.424 -3.081 1.00 0.00 C ATOM 1455 CG ASP A 91 -2.923 13.694 -2.300 1.00 0.00 C ATOM 1456 OD1 ASP A 91 -3.582 14.606 -2.856 1.00 0.00 O ATOM 1457 OD2 ASP A 91 -2.529 13.779 -1.113 1.00 0.00 O ATOM 0 H ASP A 91 -1.949 11.030 -5.703 1.00 0.00 H new ATOM 0 HA ASP A 91 -3.956 12.819 -4.662 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.035 11.564 -2.627 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -1.468 12.259 -2.993 1.00 0.00 H new ATOM 1462 N PRO A 92 -2.396 13.857 -6.598 1.00 0.00 N ATOM 1463 CA PRO A 92 -1.624 14.789 -7.436 1.00 0.00 C ATOM 1464 C PRO A 92 -1.528 16.238 -6.908 1.00 0.00 C ATOM 1465 O PRO A 92 -0.712 17.013 -7.410 1.00 0.00 O ATOM 1466 CB PRO A 92 -2.274 14.725 -8.824 1.00 0.00 C ATOM 1467 CG PRO A 92 -3.692 14.242 -8.533 1.00 0.00 C ATOM 1468 CD PRO A 92 -3.492 13.286 -7.364 1.00 0.00 C ATOM 0 HA PRO A 92 -0.579 14.479 -7.443 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -2.274 15.700 -9.312 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -1.744 14.038 -9.484 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -4.354 15.067 -8.271 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -4.133 13.740 -9.394 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -4.396 13.205 -6.760 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -3.250 12.282 -7.712 1.00 0.00 H new ATOM 1476 N ASP A 93 -2.310 16.610 -5.888 1.00 0.00 N ATOM 1477 CA ASP A 93 -2.227 17.901 -5.182 1.00 0.00 C ATOM 1478 C ASP A 93 -1.527 17.803 -3.806 1.00 0.00 C ATOM 1479 O ASP A 93 -1.223 18.826 -3.185 1.00 0.00 O ATOM 1480 CB ASP A 93 -3.645 18.473 -5.024 1.00 0.00 C ATOM 1481 CG ASP A 93 -4.258 18.886 -6.372 1.00 0.00 C ATOM 1482 OD1 ASP A 93 -3.846 19.934 -6.928 1.00 0.00 O ATOM 1483 OD2 ASP A 93 -5.168 18.181 -6.874 1.00 0.00 O ATOM 0 H ASP A 93 -3.042 16.004 -5.517 1.00 0.00 H new ATOM 0 HA ASP A 93 -1.609 18.567 -5.785 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -4.284 17.729 -4.549 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -3.614 19.337 -4.361 1.00 0.00 H new ATOM 1488 N GLY A 94 -1.239 16.588 -3.325 1.00 0.00 N ATOM 1489 CA GLY A 94 -0.636 16.309 -2.014 1.00 0.00 C ATOM 1490 C GLY A 94 -1.496 16.708 -0.803 1.00 0.00 C ATOM 1491 O GLY A 94 -0.960 16.884 0.292 1.00 0.00 O ATOM 0 H GLY A 94 -1.426 15.739 -3.858 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -0.419 15.243 -1.951 1.00 0.00 H new ATOM 0 HA3 GLY A 94 0.318 16.833 -1.951 1.00 0.00 H new ATOM 1495 N THR A 95 -2.804 16.904 -0.993 1.00 0.00 N ATOM 1496 CA THR A 95 -3.738 17.486 -0.012 1.00 0.00 C ATOM 1497 C THR A 95 -3.903 16.646 1.261 1.00 0.00 C ATOM 1498 O THR A 95 -4.147 17.215 2.330 1.00 0.00 O ATOM 1499 CB THR A 95 -5.113 17.714 -0.667 1.00 0.00 C ATOM 1500 OG1 THR A 95 -4.968 18.449 -1.867 1.00 0.00 O ATOM 1501 CG2 THR A 95 -6.094 18.505 0.203 1.00 0.00 C ATOM 0 H THR A 95 -3.264 16.653 -1.868 1.00 0.00 H new ATOM 0 HA THR A 95 -3.300 18.434 0.300 1.00 0.00 H new ATOM 0 HB THR A 95 -5.513 16.713 -0.831 1.00 0.00 H new ATOM 0 HG1 THR A 95 -5.848 18.586 -2.275 1.00 0.00 H new ATOM 0 HG21 THR A 95 -7.038 18.623 -0.329 1.00 0.00 H new ATOM 0 HG22 THR A 95 -6.267 17.968 1.136 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.676 19.487 0.422 1.00 0.00 H new ATOM 1509 N TYR A 96 -3.735 15.320 1.190 1.00 0.00 N ATOM 1510 CA TYR A 96 -3.909 14.412 2.338 1.00 0.00 C ATOM 1511 C TYR A 96 -2.742 13.439 2.558 1.00 0.00 C ATOM 1512 O TYR A 96 -2.552 12.966 3.678 1.00 0.00 O ATOM 1513 CB TYR A 96 -5.256 13.682 2.254 1.00 0.00 C ATOM 1514 CG TYR A 96 -5.645 13.247 0.858 1.00 0.00 C ATOM 1515 CD1 TYR A 96 -4.994 12.166 0.238 1.00 0.00 C ATOM 1516 CD2 TYR A 96 -6.610 13.992 0.153 1.00 0.00 C ATOM 1517 CE1 TYR A 96 -5.327 11.819 -1.084 1.00 0.00 C ATOM 1518 CE2 TYR A 96 -6.923 13.658 -1.176 1.00 0.00 C ATOM 1519 CZ TYR A 96 -6.287 12.565 -1.802 1.00 0.00 C ATOM 1520 OH TYR A 96 -6.589 12.248 -3.091 1.00 0.00 O ATOM 0 H TYR A 96 -3.472 14.840 0.329 1.00 0.00 H new ATOM 0 HA TYR A 96 -3.909 15.046 3.225 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -5.220 12.804 2.898 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -6.035 14.335 2.648 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -4.242 11.605 0.774 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -7.110 14.820 0.634 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -4.844 10.975 -1.554 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -7.653 14.240 -1.720 1.00 0.00 H new ATOM 0 HH TYR A 96 -5.916 11.629 -3.442 1.00 0.00 H new ATOM 1530 N SER A 97 -1.900 13.196 1.552 1.00 0.00 N ATOM 1531 CA SER A 97 -0.668 12.405 1.697 1.00 0.00 C ATOM 1532 C SER A 97 0.340 13.066 2.642 1.00 0.00 C ATOM 1533 O SER A 97 0.993 12.385 3.437 1.00 0.00 O ATOM 1534 CB SER A 97 -0.023 12.172 0.332 1.00 0.00 C ATOM 1535 OG SER A 97 -0.912 11.469 -0.509 1.00 0.00 O ATOM 0 H SER A 97 -2.051 13.543 0.605 1.00 0.00 H new ATOM 0 HA SER A 97 -0.952 11.449 2.136 1.00 0.00 H new ATOM 0 HB2 SER A 97 0.241 13.127 -0.122 1.00 0.00 H new ATOM 0 HB3 SER A 97 0.902 11.608 0.449 1.00 0.00 H new ATOM 0 HG SER A 97 -1.671 12.045 -0.737 1.00 0.00 H new ATOM 1541 N LYS A 98 0.429 14.404 2.620 1.00 0.00 N ATOM 1542 CA LYS A 98 1.311 15.192 3.501 1.00 0.00 C ATOM 1543 C LYS A 98 1.068 14.961 4.998 1.00 0.00 C ATOM 1544 O LYS A 98 2.010 15.101 5.774 1.00 0.00 O ATOM 1545 CB LYS A 98 1.191 16.691 3.172 1.00 0.00 C ATOM 1546 CG LYS A 98 2.018 17.096 1.942 1.00 0.00 C ATOM 1547 CD LYS A 98 1.915 18.614 1.713 1.00 0.00 C ATOM 1548 CE LYS A 98 2.863 19.128 0.619 1.00 0.00 C ATOM 1549 NZ LYS A 98 2.436 18.719 -0.745 1.00 0.00 N ATOM 0 H LYS A 98 -0.118 14.980 1.980 1.00 0.00 H new ATOM 0 HA LYS A 98 2.324 14.841 3.301 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.144 16.938 2.998 1.00 0.00 H new ATOM 0 HB3 LYS A 98 1.517 17.275 4.033 1.00 0.00 H new ATOM 0 HG2 LYS A 98 3.060 16.812 2.085 1.00 0.00 H new ATOM 0 HG3 LYS A 98 1.660 16.562 1.062 1.00 0.00 H new ATOM 0 HD2 LYS A 98 0.889 18.865 1.443 1.00 0.00 H new ATOM 0 HD3 LYS A 98 2.134 19.131 2.647 1.00 0.00 H new ATOM 0 HE2 LYS A 98 2.914 20.216 0.669 1.00 0.00 H new ATOM 0 HE3 LYS A 98 3.869 18.753 0.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 3.109 19.091 -1.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 2.412 17.681 -0.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 1.488 19.099 -0.940 1.00 0.00 H new ATOM 1563 N LYS A 99 -0.144 14.565 5.413 1.00 0.00 N ATOM 1564 CA LYS A 99 -0.518 14.324 6.825 1.00 0.00 C ATOM 1565 C LYS A 99 0.383 13.309 7.550 1.00 0.00 C ATOM 1566 O LYS A 99 0.497 13.368 8.775 1.00 0.00 O ATOM 1567 CB LYS A 99 -1.997 13.894 6.915 1.00 0.00 C ATOM 1568 CG LYS A 99 -3.011 14.899 6.332 1.00 0.00 C ATOM 1569 CD LYS A 99 -2.997 16.304 6.955 1.00 0.00 C ATOM 1570 CE LYS A 99 -3.227 16.336 8.474 1.00 0.00 C ATOM 1571 NZ LYS A 99 -4.608 15.929 8.851 1.00 0.00 N ATOM 0 H LYS A 99 -0.914 14.398 4.765 1.00 0.00 H new ATOM 0 HA LYS A 99 -0.371 15.272 7.343 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -2.114 12.942 6.396 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -2.245 13.719 7.962 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -2.824 14.995 5.262 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -4.012 14.483 6.445 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -2.038 16.774 6.737 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -3.765 16.908 6.472 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -2.511 15.673 8.960 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -3.034 17.342 8.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -4.711 15.968 9.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -5.293 16.576 8.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -4.786 14.959 8.521 1.00 0.00 H new ATOM 1585 N TYR A 100 1.044 12.417 6.806 1.00 0.00 N ATOM 1586 CA TYR A 100 1.969 11.397 7.319 1.00 0.00 C ATOM 1587 C TYR A 100 3.243 11.250 6.464 1.00 0.00 C ATOM 1588 O TYR A 100 4.263 10.809 6.989 1.00 0.00 O ATOM 1589 CB TYR A 100 1.223 10.062 7.473 1.00 0.00 C ATOM 1590 CG TYR A 100 0.338 9.762 6.287 1.00 0.00 C ATOM 1591 CD1 TYR A 100 0.873 9.126 5.157 1.00 0.00 C ATOM 1592 CD2 TYR A 100 -0.984 10.246 6.272 1.00 0.00 C ATOM 1593 CE1 TYR A 100 0.092 9.011 3.998 1.00 0.00 C ATOM 1594 CE2 TYR A 100 -1.758 10.147 5.104 1.00 0.00 C ATOM 1595 CZ TYR A 100 -1.221 9.527 3.957 1.00 0.00 C ATOM 1596 OH TYR A 100 -1.985 9.355 2.844 1.00 0.00 O ATOM 0 H TYR A 100 0.947 12.383 5.791 1.00 0.00 H new ATOM 0 HA TYR A 100 2.320 11.725 8.297 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.946 9.256 7.597 1.00 0.00 H new ATOM 0 HB3 TYR A 100 0.617 10.089 8.379 1.00 0.00 H new ATOM 0 HD1 TYR A 100 1.877 8.729 5.179 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -1.404 10.694 7.160 1.00 0.00 H new ATOM 0 HE1 TYR A 100 0.500 8.522 3.126 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -2.762 10.545 5.085 1.00 0.00 H new ATOM 0 HH TYR A 100 -2.862 9.770 2.982 1.00 0.00 H new ATOM 1606 N GLU A 101 3.253 11.673 5.194 1.00 0.00 N ATOM 1607 CA GLU A 101 4.493 11.805 4.409 1.00 0.00 C ATOM 1608 C GLU A 101 5.451 12.855 5.007 1.00 0.00 C ATOM 1609 O GLU A 101 6.664 12.635 5.060 1.00 0.00 O ATOM 1610 CB GLU A 101 4.133 12.098 2.943 1.00 0.00 C ATOM 1611 CG GLU A 101 5.324 12.156 1.970 1.00 0.00 C ATOM 1612 CD GLU A 101 6.046 13.518 1.920 1.00 0.00 C ATOM 1613 OE1 GLU A 101 5.367 14.573 1.912 1.00 0.00 O ATOM 1614 OE2 GLU A 101 7.293 13.534 1.809 1.00 0.00 O ATOM 0 H GLU A 101 2.410 11.932 4.682 1.00 0.00 H new ATOM 0 HA GLU A 101 5.040 10.863 4.449 1.00 0.00 H new ATOM 0 HB2 GLU A 101 3.440 11.332 2.597 1.00 0.00 H new ATOM 0 HB3 GLU A 101 3.604 13.050 2.900 1.00 0.00 H new ATOM 0 HG2 GLU A 101 6.044 11.388 2.252 1.00 0.00 H new ATOM 0 HG3 GLU A 101 4.971 11.910 0.969 1.00 0.00 H new ATOM 1621 N ASP A 102 4.915 13.957 5.550 1.00 0.00 N ATOM 1622 CA ASP A 102 5.695 14.989 6.246 1.00 0.00 C ATOM 1623 C ASP A 102 6.415 14.475 7.512 1.00 0.00 C ATOM 1624 O ASP A 102 7.379 15.096 7.968 1.00 0.00 O ATOM 1625 CB ASP A 102 4.811 16.204 6.559 1.00 0.00 C ATOM 1626 CG ASP A 102 5.642 17.427 6.981 1.00 0.00 C ATOM 1627 OD1 ASP A 102 6.463 17.898 6.157 1.00 0.00 O ATOM 1628 OD2 ASP A 102 5.447 17.941 8.109 1.00 0.00 O ATOM 0 H ASP A 102 3.916 14.159 5.518 1.00 0.00 H new ATOM 0 HA ASP A 102 6.490 15.291 5.564 1.00 0.00 H new ATOM 0 HB2 ASP A 102 4.216 16.455 5.681 1.00 0.00 H new ATOM 0 HB3 ASP A 102 4.112 15.948 7.355 1.00 0.00 H new ATOM 1633 N ARG A 103 5.965 13.344 8.088 1.00 0.00 N ATOM 1634 CA ARG A 103 6.562 12.718 9.282 1.00 0.00 C ATOM 1635 C ARG A 103 8.044 12.367 9.106 1.00 0.00 C ATOM 1636 O ARG A 103 8.781 12.368 10.092 1.00 0.00 O ATOM 1637 CB ARG A 103 5.755 11.459 9.681 1.00 0.00 C ATOM 1638 CG ARG A 103 5.935 11.018 11.143 1.00 0.00 C ATOM 1639 CD ARG A 103 5.361 12.023 12.152 1.00 0.00 C ATOM 1640 NE ARG A 103 5.481 11.523 13.536 1.00 0.00 N ATOM 1641 CZ ARG A 103 5.077 12.138 14.633 1.00 0.00 C ATOM 1642 NH1 ARG A 103 4.489 13.302 14.602 1.00 0.00 N ATOM 1643 NH2 ARG A 103 5.256 11.590 15.801 1.00 0.00 N ATOM 0 H ARG A 103 5.160 12.830 7.729 1.00 0.00 H new ATOM 0 HA ARG A 103 6.514 13.458 10.081 1.00 0.00 H new ATOM 0 HB2 ARG A 103 4.697 11.650 9.501 1.00 0.00 H new ATOM 0 HB3 ARG A 103 6.046 10.636 9.029 1.00 0.00 H new ATOM 0 HG2 ARG A 103 5.451 10.052 11.287 1.00 0.00 H new ATOM 0 HG3 ARG A 103 6.997 10.876 11.345 1.00 0.00 H new ATOM 0 HD2 ARG A 103 5.886 12.974 12.060 1.00 0.00 H new ATOM 0 HD3 ARG A 103 4.313 12.214 11.922 1.00 0.00 H new ATOM 0 HE ARG A 103 5.920 10.610 13.657 1.00 0.00 H new ATOM 0 HH11 ARG A 103 4.327 13.768 13.709 1.00 0.00 H new ATOM 0 HH12 ARG A 103 4.191 13.746 15.471 1.00 0.00 H new ATOM 0 HH21 ARG A 103 5.711 10.680 15.873 1.00 0.00 H new ATOM 0 HH22 ARG A 103 4.941 12.071 16.644 1.00 0.00 H new ATOM 1657 N GLU A 104 8.482 12.091 7.874 1.00 0.00 N ATOM 1658 CA GLU A 104 9.793 11.489 7.598 1.00 0.00 C ATOM 1659 C GLU A 104 10.637 12.296 6.597 1.00 0.00 C ATOM 1660 O GLU A 104 11.802 12.582 6.886 1.00 0.00 O ATOM 1661 CB GLU A 104 9.614 10.058 7.069 1.00 0.00 C ATOM 1662 CG GLU A 104 8.563 9.174 7.749 1.00 0.00 C ATOM 1663 CD GLU A 104 8.738 8.961 9.267 1.00 0.00 C ATOM 1664 OE1 GLU A 104 9.829 9.221 9.831 1.00 0.00 O ATOM 1665 OE2 GLU A 104 7.753 8.497 9.894 1.00 0.00 O ATOM 0 H GLU A 104 7.935 12.280 7.034 1.00 0.00 H new ATOM 0 HA GLU A 104 10.333 11.485 8.545 1.00 0.00 H new ATOM 0 HB2 GLU A 104 9.365 10.121 6.010 1.00 0.00 H new ATOM 0 HB3 GLU A 104 10.576 9.551 7.141 1.00 0.00 H new ATOM 0 HG2 GLU A 104 7.580 9.613 7.575 1.00 0.00 H new ATOM 0 HG3 GLU A 104 8.568 8.199 7.262 1.00 0.00 H new ATOM 1672 N LYS A 105 10.046 12.721 5.463 1.00 0.00 N ATOM 1673 CA LYS A 105 10.666 13.601 4.441 1.00 0.00 C ATOM 1674 C LYS A 105 12.087 13.199 3.980 1.00 0.00 C ATOM 1675 O LYS A 105 12.882 14.049 3.574 1.00 0.00 O ATOM 1676 CB LYS A 105 10.566 15.071 4.925 1.00 0.00 C ATOM 1677 CG LYS A 105 9.189 15.693 4.649 1.00 0.00 C ATOM 1678 CD LYS A 105 9.072 16.189 3.197 1.00 0.00 C ATOM 1679 CE LYS A 105 7.685 16.756 2.865 1.00 0.00 C ATOM 1680 NZ LYS A 105 7.406 18.039 3.561 1.00 0.00 N ATOM 0 H LYS A 105 9.092 12.455 5.221 1.00 0.00 H new ATOM 0 HA LYS A 105 10.095 13.476 3.521 1.00 0.00 H new ATOM 0 HB2 LYS A 105 10.771 15.112 5.995 1.00 0.00 H new ATOM 0 HB3 LYS A 105 11.334 15.665 4.430 1.00 0.00 H new ATOM 0 HG2 LYS A 105 8.410 14.956 4.846 1.00 0.00 H new ATOM 0 HG3 LYS A 105 9.021 16.525 5.333 1.00 0.00 H new ATOM 0 HD2 LYS A 105 9.824 16.958 3.020 1.00 0.00 H new ATOM 0 HD3 LYS A 105 9.293 15.365 2.519 1.00 0.00 H new ATOM 0 HE2 LYS A 105 7.608 16.908 1.788 1.00 0.00 H new ATOM 0 HE3 LYS A 105 6.924 16.026 3.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 6.740 18.603 2.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 6.989 17.844 4.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 8.293 18.569 3.682 1.00 0.00 H new ATOM 1694 N GLU A 106 12.423 11.908 3.994 1.00 0.00 N ATOM 1695 CA GLU A 106 13.724 11.392 3.518 1.00 0.00 C ATOM 1696 C GLU A 106 13.877 11.374 1.980 1.00 0.00 C ATOM 1697 O GLU A 106 14.957 11.071 1.470 1.00 0.00 O ATOM 1698 CB GLU A 106 14.039 10.009 4.127 1.00 0.00 C ATOM 1699 CG GLU A 106 13.177 8.836 3.633 1.00 0.00 C ATOM 1700 CD GLU A 106 11.850 8.743 4.402 1.00 0.00 C ATOM 1701 OE1 GLU A 106 10.934 9.540 4.098 1.00 0.00 O ATOM 1702 OE2 GLU A 106 11.751 7.901 5.326 1.00 0.00 O ATOM 0 H GLU A 106 11.799 11.178 4.338 1.00 0.00 H new ATOM 0 HA GLU A 106 14.464 12.108 3.875 1.00 0.00 H new ATOM 0 HB2 GLU A 106 15.084 9.775 3.923 1.00 0.00 H new ATOM 0 HB3 GLU A 106 13.933 10.080 5.210 1.00 0.00 H new ATOM 0 HG2 GLU A 106 12.973 8.957 2.569 1.00 0.00 H new ATOM 0 HG3 GLU A 106 13.730 7.904 3.748 1.00 0.00 H new ATOM 1709 N LEU A 107 12.811 11.696 1.235 1.00 0.00 N ATOM 1710 CA LEU A 107 12.787 11.831 -0.226 1.00 0.00 C ATOM 1711 C LEU A 107 13.726 12.968 -0.690 1.00 0.00 C ATOM 1712 O LEU A 107 13.340 14.142 -0.705 1.00 0.00 O ATOM 1713 CB LEU A 107 11.340 12.066 -0.720 1.00 0.00 C ATOM 1714 CG LEU A 107 10.377 10.860 -0.650 1.00 0.00 C ATOM 1715 CD1 LEU A 107 9.908 10.517 0.766 1.00 0.00 C ATOM 1716 CD2 LEU A 107 9.118 11.173 -1.463 1.00 0.00 C ATOM 0 H LEU A 107 11.900 11.878 1.655 1.00 0.00 H new ATOM 0 HA LEU A 107 13.151 10.902 -0.665 1.00 0.00 H new ATOM 0 HB2 LEU A 107 10.909 12.879 -0.136 1.00 0.00 H new ATOM 0 HB3 LEU A 107 11.385 12.406 -1.755 1.00 0.00 H new ATOM 0 HG LEU A 107 10.940 10.012 -1.039 1.00 0.00 H new ATOM 0 HD11 LEU A 107 9.236 9.660 0.729 1.00 0.00 H new ATOM 0 HD12 LEU A 107 10.771 10.275 1.386 1.00 0.00 H new ATOM 0 HD13 LEU A 107 9.383 11.372 1.192 1.00 0.00 H new ATOM 0 HD21 LEU A 107 8.435 10.325 -1.417 1.00 0.00 H new ATOM 0 HD22 LEU A 107 8.629 12.056 -1.051 1.00 0.00 H new ATOM 0 HD23 LEU A 107 9.393 11.362 -2.501 1.00 0.00 H new ATOM 1728 N HIS A 108 14.974 12.630 -1.040 1.00 0.00 N ATOM 1729 CA HIS A 108 16.000 13.584 -1.498 1.00 0.00 C ATOM 1730 C HIS A 108 15.580 14.336 -2.778 1.00 0.00 C ATOM 1731 O HIS A 108 14.879 13.785 -3.633 1.00 0.00 O ATOM 1732 CB HIS A 108 17.334 12.838 -1.690 1.00 0.00 C ATOM 1733 CG HIS A 108 18.498 13.758 -1.971 1.00 0.00 C ATOM 1734 ND1 HIS A 108 19.095 13.977 -3.202 1.00 0.00 N ATOM 1735 CD2 HIS A 108 19.131 14.551 -1.053 1.00 0.00 C ATOM 1736 CE1 HIS A 108 20.072 14.892 -3.033 1.00 0.00 C ATOM 1737 NE2 HIS A 108 20.112 15.253 -1.734 1.00 0.00 N ATOM 0 H HIS A 108 15.308 11.667 -1.013 1.00 0.00 H new ATOM 0 HA HIS A 108 16.122 14.350 -0.732 1.00 0.00 H new ATOM 0 HB2 HIS A 108 17.549 12.255 -0.794 1.00 0.00 H new ATOM 0 HB3 HIS A 108 17.232 12.131 -2.513 1.00 0.00 H new ATOM 0 HD2 HIS A 108 18.908 14.617 0.002 1.00 0.00 H new ATOM 0 HE1 HIS A 108 20.717 15.273 -3.811 1.00 0.00 H new ATOM 0 HE2 HIS A 108 20.756 15.929 -1.323 1.00 0.00 H new ATOM 1746 N GLN A 109 16.048 15.583 -2.922 1.00 0.00 N ATOM 1747 CA GLN A 109 15.757 16.498 -4.039 1.00 0.00 C ATOM 1748 C GLN A 109 16.957 17.418 -4.332 1.00 0.00 C ATOM 1749 O GLN A 109 17.463 18.072 -3.392 1.00 0.00 O ATOM 1750 CB GLN A 109 14.481 17.293 -3.700 1.00 0.00 C ATOM 1751 CG GLN A 109 13.991 18.159 -4.875 1.00 0.00 C ATOM 1752 CD GLN A 109 12.668 18.884 -4.585 1.00 0.00 C ATOM 1753 OE1 GLN A 109 12.339 19.248 -3.462 1.00 0.00 O ATOM 1754 NE2 GLN A 109 11.847 19.125 -5.587 1.00 0.00 N ATOM 1755 OXT GLN A 109 17.400 17.456 -5.502 1.00 0.00 O ATOM 0 H GLN A 109 16.670 16.003 -2.231 1.00 0.00 H new ATOM 0 HA GLN A 109 15.585 15.928 -4.952 1.00 0.00 H new ATOM 0 HB2 GLN A 109 13.691 16.599 -3.411 1.00 0.00 H new ATOM 0 HB3 GLN A 109 14.674 17.932 -2.839 1.00 0.00 H new ATOM 0 HG2 GLN A 109 14.756 18.897 -5.117 1.00 0.00 H new ATOM 0 HG3 GLN A 109 13.866 17.528 -5.755 1.00 0.00 H new ATOM 0 HE21 GLN A 109 12.096 18.833 -6.532 1.00 0.00 H new ATOM 0 HE22 GLN A 109 10.962 19.604 -5.418 1.00 0.00 H new TER 1764 GLN A 109