USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=26 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 28 GLN : amide:sc= 0.733 K(o=1.5,f=0.1) USER MOD Set 1.2: A 37 ASN : amide:sc= 0.769 K(o=1.5,f=-0.045) USER MOD Single : A 1 GLU N :NH3+ -107:sc= 0.0251 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 148:sc= 1.11 (180deg=0.463) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 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 X(o=0,f=-0.036) USER MOD Single : A 12 ASN : amide:sc= 0.809 K(o=0.81,f=-0.018) USER MOD Single : A 19 ASN : amide:sc= -0.0291 X(o=-0.029,f=0) USER MOD Single : A 24 ASN : amide:sc= 1.12 K(o=1.1,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot -153:sc= 0.964 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 142:sc= 0.784 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= 1.12 K(o=1.1,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00124) USER MOD Single : A 61 ASN : amide:sc= 0.0358 K(o=0.036,f=-6.4!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.783 K(o=-0.78,f=-2.6!) 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+ 170:sc= 1.24 (180deg=1.13) USER MOD Single : A 70 LYS NZ :NH3+ 150:sc= 0.924 (180deg=0.495) USER MOD Single : A 73 LYS NZ :NH3+ -168:sc= -0.0539 (180deg=-0.275) USER MOD Single : A 74 HIS : no HE2:sc= 0.821 K(o=0.82,f=-4.8!) USER MOD Single : A 77 ASN : amide:sc= 0.38 K(o=0.38,f=-0.18) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 87 LYS NZ :NH3+ 164:sc= 0.636 (180deg=0.545) USER MOD Single : A 89 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.352) USER MOD Single : A 90 TYR OH : rot 150:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot -11:sc= 0.0191 USER MOD Single : A 97 SER OG : rot -150:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ -149:sc= 1.22 (180deg=0.958) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 180:sc= -0.121 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HIS : no HE2:sc= 1.16 K(o=1.2,f=-3.5!) USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -16.189 -12.275 -5.924 1.00 0.00 N ATOM 2 CA GLU A 1 -15.753 -12.750 -4.583 1.00 0.00 C ATOM 3 C GLU A 1 -15.302 -11.582 -3.702 1.00 0.00 C ATOM 4 O GLU A 1 -14.775 -10.587 -4.200 1.00 0.00 O ATOM 5 CB GLU A 1 -14.616 -13.792 -4.673 1.00 0.00 C ATOM 6 CG GLU A 1 -15.033 -15.135 -5.287 1.00 0.00 C ATOM 7 CD GLU A 1 -16.104 -15.838 -4.438 1.00 0.00 C ATOM 8 OE1 GLU A 1 -17.307 -15.540 -4.632 1.00 0.00 O ATOM 9 OE2 GLU A 1 -15.752 -16.662 -3.561 1.00 0.00 O ATOM 0 H1 GLU A 1 -17.225 -12.337 -5.994 1.00 0.00 H new ATOM 0 H2 GLU A 1 -15.891 -11.287 -6.056 1.00 0.00 H new ATOM 0 H3 GLU A 1 -15.756 -12.869 -6.660 1.00 0.00 H new ATOM 0 HA GLU A 1 -16.621 -13.230 -4.131 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -13.802 -13.373 -5.265 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -14.223 -13.970 -3.672 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -15.416 -14.972 -6.294 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -14.159 -15.780 -5.379 1.00 0.00 H new ATOM 18 N GLU A 2 -15.486 -11.706 -2.385 1.00 0.00 N ATOM 19 CA GLU A 2 -14.992 -10.761 -1.369 1.00 0.00 C ATOM 20 C GLU A 2 -14.647 -11.483 -0.052 1.00 0.00 C ATOM 21 O GLU A 2 -15.144 -12.585 0.207 1.00 0.00 O ATOM 22 CB GLU A 2 -16.023 -9.637 -1.132 1.00 0.00 C ATOM 23 CG GLU A 2 -17.351 -10.107 -0.520 1.00 0.00 C ATOM 24 CD GLU A 2 -18.346 -8.936 -0.409 1.00 0.00 C ATOM 25 OE1 GLU A 2 -18.345 -8.227 0.627 1.00 0.00 O ATOM 26 OE2 GLU A 2 -19.144 -8.717 -1.356 1.00 0.00 O ATOM 0 H GLU A 2 -15.998 -12.489 -1.980 1.00 0.00 H new ATOM 0 HA GLU A 2 -14.073 -10.311 -1.744 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -15.580 -8.888 -0.475 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -16.230 -9.145 -2.082 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -17.780 -10.898 -1.135 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -17.171 -10.533 0.467 1.00 0.00 H new ATOM 33 N LYS A 3 -13.807 -10.855 0.782 1.00 0.00 N ATOM 34 CA LYS A 3 -13.382 -11.329 2.115 1.00 0.00 C ATOM 35 C LYS A 3 -13.125 -10.152 3.066 1.00 0.00 C ATOM 36 O LYS A 3 -13.008 -9.002 2.637 1.00 0.00 O ATOM 37 CB LYS A 3 -12.103 -12.198 1.999 1.00 0.00 C ATOM 38 CG LYS A 3 -12.319 -13.599 1.403 1.00 0.00 C ATOM 39 CD LYS A 3 -13.109 -14.539 2.332 1.00 0.00 C ATOM 40 CE LYS A 3 -13.689 -15.724 1.549 1.00 0.00 C ATOM 41 NZ LYS A 3 -14.954 -15.353 0.860 1.00 0.00 N ATOM 0 H LYS A 3 -13.383 -9.960 0.538 1.00 0.00 H new ATOM 0 HA LYS A 3 -14.190 -11.934 2.525 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -11.376 -11.667 1.385 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -11.664 -12.306 2.991 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -12.849 -13.506 0.455 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -11.350 -14.047 1.183 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -12.457 -14.906 3.124 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -13.916 -13.987 2.814 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -12.961 -16.068 0.815 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -13.874 -16.556 2.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -15.039 -15.893 -0.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -15.762 -15.571 1.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -14.947 -14.335 0.645 1.00 0.00 H new ATOM 55 N TYR A 4 -13.010 -10.462 4.357 1.00 0.00 N ATOM 56 CA TYR A 4 -12.842 -9.500 5.458 1.00 0.00 C ATOM 57 C TYR A 4 -11.743 -9.911 6.466 1.00 0.00 C ATOM 58 O TYR A 4 -11.673 -9.371 7.572 1.00 0.00 O ATOM 59 CB TYR A 4 -14.214 -9.251 6.116 1.00 0.00 C ATOM 60 CG TYR A 4 -14.984 -10.507 6.487 1.00 0.00 C ATOM 61 CD1 TYR A 4 -14.740 -11.155 7.713 1.00 0.00 C ATOM 62 CD2 TYR A 4 -15.939 -11.031 5.592 1.00 0.00 C ATOM 63 CE1 TYR A 4 -15.443 -12.332 8.041 1.00 0.00 C ATOM 64 CE2 TYR A 4 -16.643 -12.207 5.915 1.00 0.00 C ATOM 65 CZ TYR A 4 -16.395 -12.862 7.143 1.00 0.00 C ATOM 66 OH TYR A 4 -17.071 -13.999 7.467 1.00 0.00 O ATOM 0 H TYR A 4 -13.032 -11.428 4.683 1.00 0.00 H new ATOM 0 HA TYR A 4 -12.477 -8.558 5.048 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -14.066 -8.654 7.016 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -14.824 -8.656 5.436 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -14.014 -10.750 8.402 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -16.131 -10.529 4.655 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -15.253 -12.829 8.981 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -17.371 -12.608 5.226 1.00 0.00 H new ATOM 0 HH TYR A 4 -17.689 -14.230 6.743 1.00 0.00 H new ATOM 76 N THR A 5 -10.856 -10.831 6.072 1.00 0.00 N ATOM 77 CA THR A 5 -9.678 -11.301 6.835 1.00 0.00 C ATOM 78 C THR A 5 -8.466 -11.496 5.909 1.00 0.00 C ATOM 79 O THR A 5 -8.615 -11.559 4.685 1.00 0.00 O ATOM 80 CB THR A 5 -9.963 -12.615 7.589 1.00 0.00 C ATOM 81 OG1 THR A 5 -10.350 -13.643 6.700 1.00 0.00 O ATOM 82 CG2 THR A 5 -11.054 -12.486 8.651 1.00 0.00 C ATOM 0 H THR A 5 -10.938 -11.296 5.168 1.00 0.00 H new ATOM 0 HA THR A 5 -9.453 -10.528 7.570 1.00 0.00 H new ATOM 0 HB THR A 5 -9.023 -12.860 8.084 1.00 0.00 H new ATOM 0 HG1 THR A 5 -10.523 -14.465 7.205 1.00 0.00 H new ATOM 0 HG21 THR A 5 -11.201 -13.449 9.141 1.00 0.00 H new ATOM 0 HG22 THR A 5 -10.755 -11.744 9.392 1.00 0.00 H new ATOM 0 HG23 THR A 5 -11.986 -12.173 8.179 1.00 0.00 H new ATOM 90 N THR A 6 -7.256 -11.583 6.482 1.00 0.00 N ATOM 91 CA THR A 6 -5.975 -11.601 5.740 1.00 0.00 C ATOM 92 C THR A 6 -5.096 -12.772 6.188 1.00 0.00 C ATOM 93 O THR A 6 -4.190 -12.611 7.011 1.00 0.00 O ATOM 94 CB THR A 6 -5.224 -10.258 5.869 1.00 0.00 C ATOM 95 OG1 THR A 6 -6.062 -9.174 5.522 1.00 0.00 O ATOM 96 CG2 THR A 6 -4.005 -10.183 4.946 1.00 0.00 C ATOM 0 H THR A 6 -7.132 -11.644 7.493 1.00 0.00 H new ATOM 0 HA THR A 6 -6.210 -11.742 4.685 1.00 0.00 H new ATOM 0 HB THR A 6 -4.908 -10.198 6.910 1.00 0.00 H new ATOM 0 HG1 THR A 6 -5.565 -8.334 5.613 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.511 -9.220 5.074 1.00 0.00 H new ATOM 0 HG22 THR A 6 -3.309 -10.984 5.196 1.00 0.00 H new ATOM 0 HG23 THR A 6 -4.326 -10.292 3.910 1.00 0.00 H new ATOM 104 N LYS A 7 -5.401 -13.971 5.677 1.00 0.00 N ATOM 105 CA LYS A 7 -4.670 -15.221 5.940 1.00 0.00 C ATOM 106 C LYS A 7 -4.779 -16.221 4.781 1.00 0.00 C ATOM 107 O LYS A 7 -5.865 -16.693 4.457 1.00 0.00 O ATOM 108 CB LYS A 7 -5.104 -15.859 7.279 1.00 0.00 C ATOM 109 CG LYS A 7 -6.550 -15.631 7.780 1.00 0.00 C ATOM 110 CD LYS A 7 -7.705 -16.064 6.859 1.00 0.00 C ATOM 111 CE LYS A 7 -7.791 -17.580 6.624 1.00 0.00 C ATOM 112 NZ LYS A 7 -8.237 -18.323 7.835 1.00 0.00 N ATOM 0 H LYS A 7 -6.191 -14.104 5.046 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.617 -14.954 6.024 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.949 -16.935 7.197 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.426 -15.497 8.052 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -6.663 -16.156 8.728 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.669 -14.568 7.989 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -8.646 -15.721 7.289 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -7.594 -15.565 5.897 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -8.483 -17.778 5.805 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -6.815 -17.952 6.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -8.278 -19.340 7.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -7.564 -18.158 8.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -9.181 -17.990 8.119 1.00 0.00 H new ATOM 126 N TYR A 8 -3.639 -16.573 4.190 1.00 0.00 N ATOM 127 CA TYR A 8 -3.520 -17.597 3.143 1.00 0.00 C ATOM 128 C TYR A 8 -2.167 -18.311 3.270 1.00 0.00 C ATOM 129 O TYR A 8 -1.130 -17.651 3.275 1.00 0.00 O ATOM 130 CB TYR A 8 -3.645 -16.945 1.755 1.00 0.00 C ATOM 131 CG TYR A 8 -5.012 -16.361 1.436 1.00 0.00 C ATOM 132 CD1 TYR A 8 -6.016 -17.186 0.892 1.00 0.00 C ATOM 133 CD2 TYR A 8 -5.280 -15.000 1.686 1.00 0.00 C ATOM 134 CE1 TYR A 8 -7.280 -16.647 0.580 1.00 0.00 C ATOM 135 CE2 TYR A 8 -6.540 -14.456 1.371 1.00 0.00 C ATOM 136 CZ TYR A 8 -7.543 -15.280 0.812 1.00 0.00 C ATOM 137 OH TYR A 8 -8.762 -14.764 0.493 1.00 0.00 O ATOM 0 H TYR A 8 -2.745 -16.144 4.430 1.00 0.00 H new ATOM 0 HA TYR A 8 -4.321 -18.327 3.262 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -2.901 -16.152 1.675 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -3.400 -17.690 0.998 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -5.817 -18.232 0.714 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -4.516 -14.372 2.121 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -8.049 -17.281 0.163 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -6.740 -13.411 1.556 1.00 0.00 H new ATOM 0 HH TYR A 8 -8.782 -13.810 0.716 1.00 0.00 H new ATOM 147 N ASP A 9 -2.172 -19.645 3.382 1.00 0.00 N ATOM 148 CA ASP A 9 -0.977 -20.505 3.512 1.00 0.00 C ATOM 149 C ASP A 9 0.092 -19.975 4.504 1.00 0.00 C ATOM 150 O ASP A 9 1.290 -19.945 4.208 1.00 0.00 O ATOM 151 CB ASP A 9 -0.415 -20.833 2.115 1.00 0.00 C ATOM 152 CG ASP A 9 -1.419 -21.620 1.254 1.00 0.00 C ATOM 153 OD1 ASP A 9 -1.705 -22.796 1.583 1.00 0.00 O ATOM 154 OD2 ASP A 9 -1.917 -21.074 0.240 1.00 0.00 O ATOM 0 H ASP A 9 -3.040 -20.181 3.385 1.00 0.00 H new ATOM 0 HA ASP A 9 -1.298 -21.437 3.978 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -0.150 -19.907 1.605 1.00 0.00 H new ATOM 0 HB3 ASP A 9 0.502 -21.412 2.221 1.00 0.00 H new ATOM 159 N ASN A 10 -0.355 -19.544 5.693 1.00 0.00 N ATOM 160 CA ASN A 10 0.454 -18.903 6.744 1.00 0.00 C ATOM 161 C ASN A 10 1.191 -17.634 6.285 1.00 0.00 C ATOM 162 O ASN A 10 2.414 -17.511 6.405 1.00 0.00 O ATOM 163 CB ASN A 10 1.347 -19.940 7.460 1.00 0.00 C ATOM 164 CG ASN A 10 0.569 -21.103 8.055 1.00 0.00 C ATOM 165 OD1 ASN A 10 -0.449 -20.936 8.714 1.00 0.00 O ATOM 166 ND2 ASN A 10 1.018 -22.321 7.845 1.00 0.00 N ATOM 0 H ASN A 10 -1.335 -19.636 5.962 1.00 0.00 H new ATOM 0 HA ASN A 10 -0.240 -18.519 7.492 1.00 0.00 H new ATOM 0 HB2 ASN A 10 2.079 -20.328 6.752 1.00 0.00 H new ATOM 0 HB3 ASN A 10 1.904 -19.442 8.254 1.00 0.00 H new ATOM 0 HD21 ASN A 10 0.518 -23.122 8.231 1.00 0.00 H new ATOM 0 HD22 ASN A 10 1.866 -22.464 7.296 1.00 0.00 H new ATOM 173 N VAL A 11 0.409 -16.664 5.800 1.00 0.00 N ATOM 174 CA VAL A 11 0.873 -15.321 5.422 1.00 0.00 C ATOM 175 C VAL A 11 -0.161 -14.288 5.855 1.00 0.00 C ATOM 176 O VAL A 11 -1.361 -14.509 5.699 1.00 0.00 O ATOM 177 CB VAL A 11 1.114 -15.202 3.900 1.00 0.00 C ATOM 178 CG1 VAL A 11 1.808 -13.873 3.601 1.00 0.00 C ATOM 179 CG2 VAL A 11 2.006 -16.310 3.329 1.00 0.00 C ATOM 0 H VAL A 11 -0.592 -16.793 5.655 1.00 0.00 H new ATOM 0 HA VAL A 11 1.823 -15.141 5.925 1.00 0.00 H new ATOM 0 HB VAL A 11 0.131 -15.280 3.435 1.00 0.00 H new ATOM 0 HG11 VAL A 11 1.980 -13.785 2.528 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.177 -13.050 3.936 1.00 0.00 H new ATOM 0 HG13 VAL A 11 2.763 -13.835 4.126 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.130 -16.161 2.256 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.981 -16.279 3.815 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.542 -17.280 3.509 1.00 0.00 H new ATOM 189 N ASN A 12 0.307 -13.159 6.391 1.00 0.00 N ATOM 190 CA ASN A 12 -0.517 -12.091 6.953 1.00 0.00 C ATOM 191 C ASN A 12 0.056 -10.704 6.643 1.00 0.00 C ATOM 192 O ASN A 12 1.227 -10.563 6.289 1.00 0.00 O ATOM 193 CB ASN A 12 -0.553 -12.240 8.481 1.00 0.00 C ATOM 194 CG ASN A 12 -1.103 -13.561 8.995 1.00 0.00 C ATOM 195 OD1 ASN A 12 -0.389 -14.375 9.563 1.00 0.00 O ATOM 196 ND2 ASN A 12 -2.377 -13.825 8.837 1.00 0.00 N ATOM 0 H ASN A 12 1.305 -12.958 6.447 1.00 0.00 H new ATOM 0 HA ASN A 12 -1.509 -12.175 6.510 1.00 0.00 H new ATOM 0 HB2 ASN A 12 0.459 -12.113 8.865 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -1.155 -11.430 8.894 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -2.763 -14.702 9.186 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -2.982 -13.153 8.365 1.00 0.00 H new ATOM 203 N LEU A 13 -0.737 -9.663 6.903 1.00 0.00 N ATOM 204 CA LEU A 13 -0.321 -8.263 6.798 1.00 0.00 C ATOM 205 C LEU A 13 0.945 -7.911 7.582 1.00 0.00 C ATOM 206 O LEU A 13 1.796 -7.195 7.069 1.00 0.00 O ATOM 207 CB LEU A 13 -1.484 -7.366 7.258 1.00 0.00 C ATOM 208 CG LEU A 13 -2.102 -6.582 6.100 1.00 0.00 C ATOM 209 CD1 LEU A 13 -3.214 -5.698 6.664 1.00 0.00 C ATOM 210 CD2 LEU A 13 -1.069 -5.688 5.418 1.00 0.00 C ATOM 0 H LEU A 13 -1.707 -9.772 7.199 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.069 -8.093 5.751 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.251 -7.981 7.728 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.125 -6.669 8.016 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.485 -7.288 5.363 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.671 -5.128 5.855 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.970 -6.323 7.139 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.795 -5.012 7.400 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.542 -5.145 4.600 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.668 -4.978 6.141 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.259 -6.302 5.026 1.00 0.00 H new ATOM 222 N ASP A 14 1.117 -8.424 8.797 1.00 0.00 N ATOM 223 CA ASP A 14 2.333 -8.142 9.566 1.00 0.00 C ATOM 224 C ASP A 14 3.604 -8.722 8.913 1.00 0.00 C ATOM 225 O ASP A 14 4.691 -8.177 9.100 1.00 0.00 O ATOM 226 CB ASP A 14 2.169 -8.615 11.009 1.00 0.00 C ATOM 227 CG ASP A 14 1.104 -7.806 11.777 1.00 0.00 C ATOM 228 OD1 ASP A 14 1.065 -6.556 11.655 1.00 0.00 O ATOM 229 OD2 ASP A 14 0.300 -8.424 12.514 1.00 0.00 O ATOM 0 H ASP A 14 0.443 -9.028 9.268 1.00 0.00 H new ATOM 0 HA ASP A 14 2.472 -7.061 9.570 1.00 0.00 H new ATOM 0 HB2 ASP A 14 1.893 -9.669 11.013 1.00 0.00 H new ATOM 0 HB3 ASP A 14 3.125 -8.534 11.526 1.00 0.00 H new ATOM 234 N GLU A 15 3.480 -9.780 8.101 1.00 0.00 N ATOM 235 CA GLU A 15 4.563 -10.263 7.233 1.00 0.00 C ATOM 236 C GLU A 15 4.786 -9.333 6.025 1.00 0.00 C ATOM 237 O GLU A 15 5.922 -9.131 5.612 1.00 0.00 O ATOM 238 CB GLU A 15 4.247 -11.695 6.751 1.00 0.00 C ATOM 239 CG GLU A 15 5.461 -12.475 6.225 1.00 0.00 C ATOM 240 CD GLU A 15 6.349 -13.005 7.371 1.00 0.00 C ATOM 241 OE1 GLU A 15 7.096 -12.215 7.995 1.00 0.00 O ATOM 242 OE2 GLU A 15 6.298 -14.226 7.663 1.00 0.00 O ATOM 0 H GLU A 15 2.623 -10.327 8.027 1.00 0.00 H new ATOM 0 HA GLU A 15 5.483 -10.268 7.817 1.00 0.00 H new ATOM 0 HB2 GLU A 15 3.803 -12.252 7.576 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.497 -11.642 5.962 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.118 -13.311 5.616 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.053 -11.830 5.576 1.00 0.00 H new ATOM 249 N ILE A 16 3.732 -8.720 5.476 1.00 0.00 N ATOM 250 CA ILE A 16 3.804 -7.860 4.268 1.00 0.00 C ATOM 251 C ILE A 16 4.788 -6.699 4.454 1.00 0.00 C ATOM 252 O ILE A 16 5.787 -6.618 3.739 1.00 0.00 O ATOM 253 CB ILE A 16 2.371 -7.458 3.821 1.00 0.00 C ATOM 254 CG1 ILE A 16 1.598 -8.682 3.283 1.00 0.00 C ATOM 255 CG2 ILE A 16 2.293 -6.334 2.785 1.00 0.00 C ATOM 256 CD1 ILE A 16 2.256 -9.353 2.064 1.00 0.00 C ATOM 0 H ILE A 16 2.789 -8.802 5.855 1.00 0.00 H new ATOM 0 HA ILE A 16 4.227 -8.422 3.435 1.00 0.00 H new ATOM 0 HB ILE A 16 1.914 -7.067 4.730 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.502 -9.418 4.082 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.589 -8.371 3.013 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.249 -6.133 2.544 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.752 -5.432 3.191 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.823 -6.635 1.881 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.652 -10.203 1.747 1.00 0.00 H new ATOM 0 HD12 ILE A 16 2.328 -8.634 1.248 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.255 -9.697 2.333 1.00 0.00 H new ATOM 268 N LEU A 17 4.593 -5.868 5.473 1.00 0.00 N ATOM 269 CA LEU A 17 5.498 -4.748 5.801 1.00 0.00 C ATOM 270 C LEU A 17 6.887 -5.233 6.268 1.00 0.00 C ATOM 271 O LEU A 17 7.879 -4.533 6.061 1.00 0.00 O ATOM 272 CB LEU A 17 4.898 -3.813 6.879 1.00 0.00 C ATOM 273 CG LEU A 17 3.759 -4.395 7.737 1.00 0.00 C ATOM 274 CD1 LEU A 17 3.535 -3.585 9.005 1.00 0.00 C ATOM 275 CD2 LEU A 17 2.446 -4.274 6.981 1.00 0.00 C ATOM 0 H LEU A 17 3.797 -5.945 6.106 1.00 0.00 H new ATOM 0 HA LEU A 17 5.618 -4.188 4.873 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.702 -3.501 7.546 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.528 -2.915 6.384 1.00 0.00 H new ATOM 0 HG LEU A 17 4.041 -5.423 7.966 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.723 -4.029 9.582 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.447 -3.585 9.602 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.274 -2.560 8.741 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.638 -4.685 7.586 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.243 -3.224 6.770 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.514 -4.826 6.043 1.00 0.00 H new ATOM 287 N ALA A 18 6.967 -6.408 6.908 1.00 0.00 N ATOM 288 CA ALA A 18 8.221 -6.965 7.423 1.00 0.00 C ATOM 289 C ALA A 18 9.137 -7.506 6.312 1.00 0.00 C ATOM 290 O ALA A 18 10.365 -7.472 6.432 1.00 0.00 O ATOM 291 CB ALA A 18 7.899 -8.120 8.373 1.00 0.00 C ATOM 0 H ALA A 18 6.156 -7.001 7.083 1.00 0.00 H new ATOM 0 HA ALA A 18 8.746 -6.154 7.928 1.00 0.00 H new ATOM 0 HB1 ALA A 18 8.826 -8.541 8.761 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.293 -7.752 9.201 1.00 0.00 H new ATOM 0 HB3 ALA A 18 7.348 -8.891 7.835 1.00 0.00 H new ATOM 297 N ASN A 19 8.531 -8.017 5.239 1.00 0.00 N ATOM 298 CA ASN A 19 9.176 -8.775 4.174 1.00 0.00 C ATOM 299 C ASN A 19 8.969 -8.028 2.849 1.00 0.00 C ATOM 300 O ASN A 19 8.050 -8.304 2.076 1.00 0.00 O ATOM 301 CB ASN A 19 8.645 -10.229 4.177 1.00 0.00 C ATOM 302 CG ASN A 19 9.707 -11.280 4.415 1.00 0.00 C ATOM 303 OD1 ASN A 19 9.641 -12.091 5.326 1.00 0.00 O ATOM 304 ND2 ASN A 19 10.714 -11.320 3.578 1.00 0.00 N ATOM 0 H ASN A 19 7.529 -7.906 5.085 1.00 0.00 H new ATOM 0 HA ASN A 19 10.252 -8.854 4.327 1.00 0.00 H new ATOM 0 HB2 ASN A 19 7.879 -10.322 4.947 1.00 0.00 H new ATOM 0 HB3 ASN A 19 8.161 -10.428 3.221 1.00 0.00 H new ATOM 0 HD21 ASN A 19 11.441 -12.027 3.688 1.00 0.00 H new ATOM 0 HD22 ASN A 19 10.771 -10.644 2.816 1.00 0.00 H new ATOM 311 N ASP A 20 9.842 -7.053 2.592 1.00 0.00 N ATOM 312 CA ASP A 20 9.775 -6.156 1.434 1.00 0.00 C ATOM 313 C ASP A 20 9.671 -6.871 0.077 1.00 0.00 C ATOM 314 O ASP A 20 9.104 -6.311 -0.857 1.00 0.00 O ATOM 315 CB ASP A 20 10.975 -5.201 1.442 1.00 0.00 C ATOM 316 CG ASP A 20 12.312 -5.896 1.123 1.00 0.00 C ATOM 317 OD1 ASP A 20 12.840 -6.624 1.998 1.00 0.00 O ATOM 318 OD2 ASP A 20 12.832 -5.714 -0.002 1.00 0.00 O ATOM 0 H ASP A 20 10.638 -6.859 3.200 1.00 0.00 H new ATOM 0 HA ASP A 20 8.844 -5.600 1.541 1.00 0.00 H new ATOM 0 HB2 ASP A 20 10.804 -4.408 0.714 1.00 0.00 H new ATOM 0 HB3 ASP A 20 11.045 -4.726 2.421 1.00 0.00 H new ATOM 323 N ARG A 21 10.163 -8.110 -0.041 1.00 0.00 N ATOM 324 CA ARG A 21 9.969 -8.963 -1.229 1.00 0.00 C ATOM 325 C ARG A 21 8.491 -9.212 -1.567 1.00 0.00 C ATOM 326 O ARG A 21 8.130 -9.186 -2.744 1.00 0.00 O ATOM 327 CB ARG A 21 10.699 -10.307 -1.060 1.00 0.00 C ATOM 328 CG ARG A 21 12.230 -10.154 -1.019 1.00 0.00 C ATOM 329 CD ARG A 21 12.936 -11.516 -0.974 1.00 0.00 C ATOM 330 NE ARG A 21 12.765 -12.271 -2.236 1.00 0.00 N ATOM 331 CZ ARG A 21 12.921 -13.571 -2.414 1.00 0.00 C ATOM 332 NH1 ARG A 21 13.281 -14.370 -1.449 1.00 0.00 N ATOM 333 NH2 ARG A 21 12.716 -14.102 -3.586 1.00 0.00 N ATOM 0 H ARG A 21 10.714 -8.557 0.692 1.00 0.00 H new ATOM 0 HA ARG A 21 10.398 -8.412 -2.066 1.00 0.00 H new ATOM 0 HB2 ARG A 21 10.362 -10.785 -0.140 1.00 0.00 H new ATOM 0 HB3 ARG A 21 10.427 -10.969 -1.882 1.00 0.00 H new ATOM 0 HG2 ARG A 21 12.564 -9.600 -1.896 1.00 0.00 H new ATOM 0 HG3 ARG A 21 12.514 -9.568 -0.145 1.00 0.00 H new ATOM 0 HD2 ARG A 21 13.999 -11.367 -0.781 1.00 0.00 H new ATOM 0 HD3 ARG A 21 12.541 -12.102 -0.144 1.00 0.00 H new ATOM 0 HE ARG A 21 12.498 -11.729 -3.057 1.00 0.00 H new ATOM 0 HH11 ARG A 21 13.453 -13.997 -0.515 1.00 0.00 H new ATOM 0 HH12 ARG A 21 13.390 -15.368 -1.627 1.00 0.00 H new ATOM 0 HH21 ARG A 21 12.434 -13.514 -4.370 1.00 0.00 H new ATOM 0 HH22 ARG A 21 12.837 -15.106 -3.719 1.00 0.00 H new ATOM 347 N LEU A 22 7.629 -9.406 -0.560 1.00 0.00 N ATOM 348 CA LEU A 22 6.172 -9.492 -0.750 1.00 0.00 C ATOM 349 C LEU A 22 5.614 -8.103 -1.096 1.00 0.00 C ATOM 350 O LEU A 22 4.824 -7.952 -2.029 1.00 0.00 O ATOM 351 CB LEU A 22 5.465 -10.028 0.517 1.00 0.00 C ATOM 352 CG LEU A 22 6.097 -11.274 1.175 1.00 0.00 C ATOM 353 CD1 LEU A 22 5.604 -11.477 2.606 1.00 0.00 C ATOM 354 CD2 LEU A 22 5.768 -12.541 0.390 1.00 0.00 C ATOM 0 H LEU A 22 7.921 -9.508 0.412 1.00 0.00 H new ATOM 0 HA LEU A 22 5.980 -10.188 -1.567 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.435 -9.228 1.257 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.432 -10.263 0.259 1.00 0.00 H new ATOM 0 HG LEU A 22 7.172 -11.097 1.179 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.074 -12.364 3.030 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.864 -10.606 3.207 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.522 -11.606 2.603 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.227 -13.401 0.878 1.00 0.00 H new ATOM 0 HD22 LEU A 22 4.687 -12.677 0.356 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.155 -12.451 -0.625 1.00 0.00 H new ATOM 366 N LEU A 23 6.080 -7.075 -0.373 1.00 0.00 N ATOM 367 CA LEU A 23 5.642 -5.688 -0.529 1.00 0.00 C ATOM 368 C LEU A 23 5.867 -5.174 -1.965 1.00 0.00 C ATOM 369 O LEU A 23 4.951 -4.640 -2.585 1.00 0.00 O ATOM 370 CB LEU A 23 6.368 -4.808 0.518 1.00 0.00 C ATOM 371 CG LEU A 23 5.574 -3.618 1.049 1.00 0.00 C ATOM 372 CD1 LEU A 23 5.076 -2.746 -0.102 1.00 0.00 C ATOM 373 CD2 LEU A 23 4.420 -4.118 1.904 1.00 0.00 C ATOM 0 H LEU A 23 6.788 -7.191 0.352 1.00 0.00 H new ATOM 0 HA LEU A 23 4.567 -5.633 -0.354 1.00 0.00 H new ATOM 0 HB2 LEU A 23 6.650 -5.438 1.361 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.292 -4.436 0.075 1.00 0.00 H new ATOM 0 HG LEU A 23 6.223 -3.000 1.669 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.512 -1.903 0.298 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.928 -2.375 -0.672 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.432 -3.337 -0.754 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.853 -3.268 2.283 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.767 -4.749 1.301 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.811 -4.696 2.741 1.00 0.00 H new ATOM 385 N ASN A 24 7.062 -5.389 -2.527 1.00 0.00 N ATOM 386 CA ASN A 24 7.442 -4.975 -3.885 1.00 0.00 C ATOM 387 C ASN A 24 6.475 -5.507 -4.956 1.00 0.00 C ATOM 388 O ASN A 24 6.138 -4.781 -5.890 1.00 0.00 O ATOM 389 CB ASN A 24 8.892 -5.397 -4.181 1.00 0.00 C ATOM 390 CG ASN A 24 9.893 -4.344 -3.734 1.00 0.00 C ATOM 391 OD1 ASN A 24 10.359 -3.521 -4.508 1.00 0.00 O ATOM 392 ND2 ASN A 24 10.239 -4.315 -2.471 1.00 0.00 N ATOM 0 H ASN A 24 7.815 -5.870 -2.035 1.00 0.00 H new ATOM 0 HA ASN A 24 7.376 -3.888 -3.928 1.00 0.00 H new ATOM 0 HB2 ASN A 24 9.106 -6.339 -3.676 1.00 0.00 H new ATOM 0 HB3 ASN A 24 9.007 -5.576 -5.250 1.00 0.00 H new ATOM 0 HD21 ASN A 24 10.894 -3.608 -2.138 1.00 0.00 H new ATOM 0 HD22 ASN A 24 9.853 -4.999 -1.821 1.00 0.00 H new ATOM 399 N LYS A 25 5.963 -6.732 -4.787 1.00 0.00 N ATOM 400 CA LYS A 25 4.956 -7.340 -5.672 1.00 0.00 C ATOM 401 C LYS A 25 3.597 -6.639 -5.548 1.00 0.00 C ATOM 402 O LYS A 25 2.944 -6.360 -6.555 1.00 0.00 O ATOM 403 CB LYS A 25 4.859 -8.840 -5.341 1.00 0.00 C ATOM 404 CG LYS A 25 4.109 -9.633 -6.422 1.00 0.00 C ATOM 405 CD LYS A 25 3.879 -11.101 -6.021 1.00 0.00 C ATOM 406 CE LYS A 25 5.153 -11.913 -5.742 1.00 0.00 C ATOM 407 NZ LYS A 25 5.973 -12.130 -6.965 1.00 0.00 N ATOM 0 H LYS A 25 6.241 -7.342 -4.018 1.00 0.00 H new ATOM 0 HA LYS A 25 5.263 -7.219 -6.711 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.863 -9.249 -5.225 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.351 -8.966 -4.385 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.148 -9.157 -6.616 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.675 -9.598 -7.353 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.252 -11.123 -5.130 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.320 -11.594 -6.816 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.753 -11.395 -4.994 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.878 -12.879 -5.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.820 -12.682 -6.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.413 -12.648 -7.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.260 -11.211 -7.358 1.00 0.00 H new ATOM 421 N TYR A 26 3.200 -6.300 -4.320 1.00 0.00 N ATOM 422 CA TYR A 26 1.948 -5.595 -4.020 1.00 0.00 C ATOM 423 C TYR A 26 1.952 -4.164 -4.595 1.00 0.00 C ATOM 424 O TYR A 26 0.948 -3.736 -5.161 1.00 0.00 O ATOM 425 CB TYR A 26 1.697 -5.580 -2.497 1.00 0.00 C ATOM 426 CG TYR A 26 1.238 -6.875 -1.829 1.00 0.00 C ATOM 427 CD1 TYR A 26 1.554 -8.153 -2.341 1.00 0.00 C ATOM 428 CD2 TYR A 26 0.469 -6.786 -0.650 1.00 0.00 C ATOM 429 CE1 TYR A 26 1.085 -9.315 -1.704 1.00 0.00 C ATOM 430 CE2 TYR A 26 -0.064 -7.946 -0.050 1.00 0.00 C ATOM 431 CZ TYR A 26 0.224 -9.215 -0.594 1.00 0.00 C ATOM 432 OH TYR A 26 -0.323 -10.342 -0.067 1.00 0.00 O ATOM 0 H TYR A 26 3.750 -6.511 -3.487 1.00 0.00 H new ATOM 0 HA TYR A 26 1.132 -6.133 -4.502 1.00 0.00 H new ATOM 0 HB2 TYR A 26 2.619 -5.263 -2.010 1.00 0.00 H new ATOM 0 HB3 TYR A 26 0.948 -4.815 -2.290 1.00 0.00 H new ATOM 0 HD1 TYR A 26 2.161 -8.238 -3.230 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.286 -5.820 -0.202 1.00 0.00 H new ATOM 0 HE1 TYR A 26 1.386 -10.287 -2.067 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.692 -7.863 0.825 1.00 0.00 H new ATOM 0 HH TYR A 26 -1.176 -10.122 0.362 1.00 0.00 H new ATOM 442 N VAL A 27 3.073 -3.435 -4.512 1.00 0.00 N ATOM 443 CA VAL A 27 3.226 -2.080 -5.094 1.00 0.00 C ATOM 444 C VAL A 27 3.457 -2.089 -6.605 1.00 0.00 C ATOM 445 O VAL A 27 2.893 -1.246 -7.298 1.00 0.00 O ATOM 446 CB VAL A 27 4.319 -1.249 -4.390 1.00 0.00 C ATOM 447 CG1 VAL A 27 3.985 -1.095 -2.908 1.00 0.00 C ATOM 448 CG2 VAL A 27 5.706 -1.873 -4.484 1.00 0.00 C ATOM 0 H VAL A 27 3.912 -3.766 -4.036 1.00 0.00 H new ATOM 0 HA VAL A 27 2.266 -1.596 -4.917 1.00 0.00 H new ATOM 0 HB VAL A 27 4.338 -0.288 -4.904 1.00 0.00 H new ATOM 0 HG11 VAL A 27 4.762 -0.507 -2.419 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.026 -0.588 -2.802 1.00 0.00 H new ATOM 0 HG13 VAL A 27 3.929 -2.079 -2.444 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.426 -1.238 -3.969 1.00 0.00 H new ATOM 0 HG22 VAL A 27 5.694 -2.859 -4.019 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.991 -1.969 -5.532 1.00 0.00 H new ATOM 458 N GLN A 28 4.178 -3.074 -7.157 1.00 0.00 N ATOM 459 CA GLN A 28 4.343 -3.274 -8.613 1.00 0.00 C ATOM 460 C GLN A 28 3.007 -3.256 -9.369 1.00 0.00 C ATOM 461 O GLN A 28 2.970 -2.852 -10.529 1.00 0.00 O ATOM 462 CB GLN A 28 5.044 -4.614 -8.892 1.00 0.00 C ATOM 463 CG GLN A 28 6.533 -4.476 -9.245 1.00 0.00 C ATOM 464 CD GLN A 28 7.341 -5.745 -8.955 1.00 0.00 C ATOM 465 OE1 GLN A 28 8.197 -5.793 -8.082 1.00 0.00 O ATOM 466 NE2 GLN A 28 7.126 -6.824 -9.679 1.00 0.00 N ATOM 0 H GLN A 28 4.674 -3.769 -6.599 1.00 0.00 H new ATOM 0 HA GLN A 28 4.948 -2.441 -8.970 1.00 0.00 H new ATOM 0 HB2 GLN A 28 4.946 -5.253 -8.015 1.00 0.00 H new ATOM 0 HB3 GLN A 28 4.531 -5.117 -9.712 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.628 -4.226 -10.302 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.958 -3.645 -8.682 1.00 0.00 H new ATOM 0 HE21 GLN A 28 6.418 -6.813 -10.414 1.00 0.00 H new ATOM 0 HE22 GLN A 28 7.667 -7.671 -9.505 1.00 0.00 H new ATOM 475 N CYS A 29 1.917 -3.635 -8.694 1.00 0.00 N ATOM 476 CA CYS A 29 0.544 -3.569 -9.183 1.00 0.00 C ATOM 477 C CYS A 29 0.135 -2.218 -9.806 1.00 0.00 C ATOM 478 O CYS A 29 -0.679 -2.190 -10.730 1.00 0.00 O ATOM 479 CB CYS A 29 -0.367 -3.927 -8.001 1.00 0.00 C ATOM 480 SG CYS A 29 -2.142 -4.086 -8.315 1.00 0.00 S ATOM 0 H CYS A 29 1.975 -4.013 -7.748 1.00 0.00 H new ATOM 0 HA CYS A 29 0.447 -4.273 -10.010 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -0.016 -4.870 -7.583 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -0.231 -3.167 -7.232 1.00 0.00 H new ATOM 485 N LEU A 30 0.736 -1.112 -9.344 1.00 0.00 N ATOM 486 CA LEU A 30 0.572 0.226 -9.924 1.00 0.00 C ATOM 487 C LEU A 30 1.899 0.955 -10.240 1.00 0.00 C ATOM 488 O LEU A 30 1.877 1.991 -10.906 1.00 0.00 O ATOM 489 CB LEU A 30 -0.423 1.066 -9.087 1.00 0.00 C ATOM 490 CG LEU A 30 -0.145 1.386 -7.601 1.00 0.00 C ATOM 491 CD1 LEU A 30 -0.473 0.221 -6.667 1.00 0.00 C ATOM 492 CD2 LEU A 30 1.288 1.828 -7.331 1.00 0.00 C ATOM 0 H LEU A 30 1.363 -1.125 -8.539 1.00 0.00 H new ATOM 0 HA LEU A 30 0.131 0.088 -10.911 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.546 2.019 -9.601 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.385 0.555 -9.128 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.815 2.219 -7.388 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.257 0.508 -5.638 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.529 -0.033 -6.759 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.133 -0.644 -6.938 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.411 2.036 -6.268 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.975 1.036 -7.627 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.505 2.729 -7.904 1.00 0.00 H new ATOM 504 N LEU A 31 3.045 0.423 -9.791 1.00 0.00 N ATOM 505 CA LEU A 31 4.387 0.934 -10.096 1.00 0.00 C ATOM 506 C LEU A 31 4.819 0.549 -11.525 1.00 0.00 C ATOM 507 O LEU A 31 5.296 1.408 -12.269 1.00 0.00 O ATOM 508 CB LEU A 31 5.358 0.472 -8.975 1.00 0.00 C ATOM 509 CG LEU A 31 6.733 -0.115 -9.358 1.00 0.00 C ATOM 510 CD1 LEU A 31 7.691 0.932 -9.912 1.00 0.00 C ATOM 511 CD2 LEU A 31 7.405 -0.720 -8.125 1.00 0.00 C ATOM 0 H LEU A 31 3.063 -0.399 -9.188 1.00 0.00 H new ATOM 0 HA LEU A 31 4.398 2.024 -10.099 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.538 1.328 -8.324 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.837 -0.277 -8.379 1.00 0.00 H new ATOM 0 HG LEU A 31 6.536 -0.862 -10.126 1.00 0.00 H new ATOM 0 HD11 LEU A 31 8.641 0.460 -10.163 1.00 0.00 H new ATOM 0 HD12 LEU A 31 7.261 1.381 -10.807 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.858 1.706 -9.162 1.00 0.00 H new ATOM 0 HD21 LEU A 31 8.375 -1.132 -8.404 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.543 0.054 -7.370 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.777 -1.514 -7.721 1.00 0.00 H new ATOM 523 N GLU A 32 4.645 -0.714 -11.933 1.00 0.00 N ATOM 524 CA GLU A 32 5.072 -1.164 -13.265 1.00 0.00 C ATOM 525 C GLU A 32 4.158 -0.631 -14.390 1.00 0.00 C ATOM 526 O GLU A 32 3.021 -0.210 -14.157 1.00 0.00 O ATOM 527 CB GLU A 32 5.158 -2.700 -13.330 1.00 0.00 C ATOM 528 CG GLU A 32 6.503 -3.231 -12.818 1.00 0.00 C ATOM 529 CD GLU A 32 7.632 -3.085 -13.860 1.00 0.00 C ATOM 530 OE1 GLU A 32 8.193 -1.973 -14.006 1.00 0.00 O ATOM 531 OE2 GLU A 32 7.976 -4.089 -14.527 1.00 0.00 O ATOM 0 H GLU A 32 4.213 -1.441 -11.363 1.00 0.00 H new ATOM 0 HA GLU A 32 6.066 -0.748 -13.428 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.351 -3.132 -12.739 1.00 0.00 H new ATOM 0 HB3 GLU A 32 5.009 -3.027 -14.359 1.00 0.00 H new ATOM 0 HG2 GLU A 32 6.780 -2.695 -11.910 1.00 0.00 H new ATOM 0 HG3 GLU A 32 6.396 -4.282 -12.548 1.00 0.00 H new ATOM 538 N ASP A 33 4.640 -0.687 -15.635 1.00 0.00 N ATOM 539 CA ASP A 33 3.893 -0.279 -16.837 1.00 0.00 C ATOM 540 C ASP A 33 2.711 -1.205 -17.220 1.00 0.00 C ATOM 541 O ASP A 33 1.931 -0.859 -18.109 1.00 0.00 O ATOM 542 CB ASP A 33 4.863 -0.069 -18.013 1.00 0.00 C ATOM 543 CG ASP A 33 5.391 -1.369 -18.648 1.00 0.00 C ATOM 544 OD1 ASP A 33 5.898 -2.251 -17.914 1.00 0.00 O ATOM 545 OD2 ASP A 33 5.355 -1.486 -19.898 1.00 0.00 O ATOM 0 H ASP A 33 5.580 -1.024 -15.844 1.00 0.00 H new ATOM 0 HA ASP A 33 3.413 0.667 -16.587 1.00 0.00 H new ATOM 0 HB2 ASP A 33 4.360 0.517 -18.782 1.00 0.00 H new ATOM 0 HB3 ASP A 33 5.711 0.521 -17.666 1.00 0.00 H new ATOM 550 N ASP A 34 2.530 -2.339 -16.528 1.00 0.00 N ATOM 551 CA ASP A 34 1.333 -3.193 -16.592 1.00 0.00 C ATOM 552 C ASP A 34 0.966 -3.784 -15.217 1.00 0.00 C ATOM 553 O ASP A 34 1.821 -4.113 -14.388 1.00 0.00 O ATOM 554 CB ASP A 34 1.522 -4.352 -17.586 1.00 0.00 C ATOM 555 CG ASP A 34 1.401 -3.926 -19.058 1.00 0.00 C ATOM 556 OD1 ASP A 34 0.282 -3.548 -19.485 1.00 0.00 O ATOM 557 OD2 ASP A 34 2.396 -4.039 -19.815 1.00 0.00 O ATOM 0 H ASP A 34 3.236 -2.700 -15.886 1.00 0.00 H new ATOM 0 HA ASP A 34 0.522 -2.547 -16.928 1.00 0.00 H new ATOM 0 HB2 ASP A 34 2.502 -4.801 -17.426 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.780 -5.123 -17.377 1.00 0.00 H new ATOM 562 N GLU A 35 -0.338 -3.979 -15.009 1.00 0.00 N ATOM 563 CA GLU A 35 -0.943 -4.493 -13.766 1.00 0.00 C ATOM 564 C GLU A 35 -0.880 -6.025 -13.608 1.00 0.00 C ATOM 565 O GLU A 35 -1.394 -6.587 -12.640 1.00 0.00 O ATOM 566 CB GLU A 35 -2.385 -3.967 -13.632 1.00 0.00 C ATOM 567 CG GLU A 35 -3.337 -4.479 -14.724 1.00 0.00 C ATOM 568 CD GLU A 35 -4.756 -3.912 -14.529 1.00 0.00 C ATOM 569 OE1 GLU A 35 -5.043 -2.795 -15.027 1.00 0.00 O ATOM 570 OE2 GLU A 35 -5.603 -4.582 -13.888 1.00 0.00 O ATOM 0 H GLU A 35 -1.034 -3.777 -15.727 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.335 -4.111 -12.946 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.778 -4.255 -12.657 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.368 -2.877 -13.660 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.959 -4.192 -15.705 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.370 -5.568 -14.701 1.00 0.00 H new ATOM 577 N SER A 36 -0.205 -6.717 -14.525 1.00 0.00 N ATOM 578 CA SER A 36 0.012 -8.177 -14.501 1.00 0.00 C ATOM 579 C SER A 36 0.689 -8.681 -13.213 1.00 0.00 C ATOM 580 O SER A 36 0.591 -9.858 -12.864 1.00 0.00 O ATOM 581 CB SER A 36 0.881 -8.588 -15.694 1.00 0.00 C ATOM 582 OG SER A 36 0.360 -8.080 -16.917 1.00 0.00 O ATOM 0 H SER A 36 0.223 -6.269 -15.335 1.00 0.00 H new ATOM 0 HA SER A 36 -0.978 -8.630 -14.549 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.897 -8.221 -15.549 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.940 -9.675 -15.746 1.00 0.00 H new ATOM 0 HG SER A 36 0.937 -8.358 -17.659 1.00 0.00 H new ATOM 588 N ASN A 37 1.375 -7.782 -12.499 1.00 0.00 N ATOM 589 CA ASN A 37 2.064 -8.031 -11.235 1.00 0.00 C ATOM 590 C ASN A 37 1.131 -8.193 -10.015 1.00 0.00 C ATOM 591 O ASN A 37 1.568 -8.727 -8.994 1.00 0.00 O ATOM 592 CB ASN A 37 3.012 -6.847 -10.984 1.00 0.00 C ATOM 593 CG ASN A 37 4.139 -6.722 -11.999 1.00 0.00 C ATOM 594 OD1 ASN A 37 5.206 -7.290 -11.829 1.00 0.00 O ATOM 595 ND2 ASN A 37 3.976 -5.958 -13.057 1.00 0.00 N ATOM 0 H ASN A 37 1.467 -6.813 -12.805 1.00 0.00 H new ATOM 0 HA ASN A 37 2.587 -8.982 -11.335 1.00 0.00 H new ATOM 0 HB2 ASN A 37 2.431 -5.925 -10.988 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.445 -6.948 -9.989 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.737 -5.845 -13.726 1.00 0.00 H new ATOM 0 HD22 ASN A 37 3.088 -5.479 -13.208 1.00 0.00 H new ATOM 602 N CYS A 38 -0.118 -7.711 -10.077 1.00 0.00 N ATOM 603 CA CYS A 38 -1.026 -7.674 -8.922 1.00 0.00 C ATOM 604 C CYS A 38 -1.316 -9.083 -8.357 1.00 0.00 C ATOM 605 O CYS A 38 -1.885 -9.931 -9.049 1.00 0.00 O ATOM 606 CB CYS A 38 -2.345 -6.994 -9.316 1.00 0.00 C ATOM 607 SG CYS A 38 -2.272 -5.293 -9.940 1.00 0.00 S ATOM 0 H CYS A 38 -0.528 -7.335 -10.932 1.00 0.00 H new ATOM 0 HA CYS A 38 -0.529 -7.102 -8.138 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -2.823 -7.609 -10.078 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -2.999 -7.002 -8.444 1.00 0.00 H new ATOM 612 N THR A 39 -0.949 -9.338 -7.096 1.00 0.00 N ATOM 613 CA THR A 39 -1.210 -10.615 -6.400 1.00 0.00 C ATOM 614 C THR A 39 -2.677 -10.735 -5.972 1.00 0.00 C ATOM 615 O THR A 39 -3.373 -9.728 -5.844 1.00 0.00 O ATOM 616 CB THR A 39 -0.322 -10.780 -5.149 1.00 0.00 C ATOM 617 OG1 THR A 39 0.668 -9.776 -5.055 1.00 0.00 O ATOM 618 CG2 THR A 39 0.404 -12.121 -5.145 1.00 0.00 C ATOM 0 H THR A 39 -0.456 -8.658 -6.518 1.00 0.00 H new ATOM 0 HA THR A 39 -0.973 -11.401 -7.117 1.00 0.00 H new ATOM 0 HB THR A 39 -1.007 -10.709 -4.304 1.00 0.00 H new ATOM 0 HG1 THR A 39 0.783 -9.517 -4.117 1.00 0.00 H new ATOM 0 HG21 THR A 39 1.019 -12.199 -4.248 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.326 -12.930 -5.156 1.00 0.00 H new ATOM 0 HG23 THR A 39 1.039 -12.194 -6.028 1.00 0.00 H new ATOM 626 N ALA A 40 -3.143 -11.955 -5.686 1.00 0.00 N ATOM 627 CA ALA A 40 -4.539 -12.236 -5.321 1.00 0.00 C ATOM 628 C ALA A 40 -4.998 -11.530 -4.026 1.00 0.00 C ATOM 629 O ALA A 40 -6.138 -11.073 -3.937 1.00 0.00 O ATOM 630 CB ALA A 40 -4.711 -13.756 -5.215 1.00 0.00 C ATOM 0 H ALA A 40 -2.554 -12.788 -5.701 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.180 -11.829 -6.103 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.741 -13.988 -4.945 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.475 -14.217 -6.174 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.039 -14.146 -4.451 1.00 0.00 H new ATOM 636 N ASP A 41 -4.102 -11.398 -3.042 1.00 0.00 N ATOM 637 CA ASP A 41 -4.317 -10.608 -1.819 1.00 0.00 C ATOM 638 C ASP A 41 -3.778 -9.168 -1.952 1.00 0.00 C ATOM 639 O ASP A 41 -4.391 -8.226 -1.445 1.00 0.00 O ATOM 640 CB ASP A 41 -3.656 -11.349 -0.651 1.00 0.00 C ATOM 641 CG ASP A 41 -3.832 -10.606 0.683 1.00 0.00 C ATOM 642 OD1 ASP A 41 -4.968 -10.598 1.210 1.00 0.00 O ATOM 643 OD2 ASP A 41 -2.829 -10.063 1.205 1.00 0.00 O ATOM 0 H ASP A 41 -3.186 -11.846 -3.072 1.00 0.00 H new ATOM 0 HA ASP A 41 -5.387 -10.507 -1.640 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.084 -12.348 -0.568 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -2.593 -11.474 -0.858 1.00 0.00 H new ATOM 648 N GLY A 42 -2.682 -8.978 -2.701 1.00 0.00 N ATOM 649 CA GLY A 42 -2.082 -7.668 -2.975 1.00 0.00 C ATOM 650 C GLY A 42 -3.047 -6.680 -3.629 1.00 0.00 C ATOM 651 O GLY A 42 -3.204 -5.566 -3.131 1.00 0.00 O ATOM 0 H GLY A 42 -2.179 -9.748 -3.142 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.717 -7.242 -2.041 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.217 -7.802 -3.624 1.00 0.00 H new ATOM 655 N LYS A 43 -3.755 -7.100 -4.687 1.00 0.00 N ATOM 656 CA LYS A 43 -4.814 -6.316 -5.353 1.00 0.00 C ATOM 657 C LYS A 43 -5.950 -5.894 -4.415 1.00 0.00 C ATOM 658 O LYS A 43 -6.452 -4.783 -4.538 1.00 0.00 O ATOM 659 CB LYS A 43 -5.360 -7.105 -6.562 1.00 0.00 C ATOM 660 CG LYS A 43 -6.286 -8.281 -6.189 1.00 0.00 C ATOM 661 CD LYS A 43 -6.499 -9.287 -7.329 1.00 0.00 C ATOM 662 CE LYS A 43 -7.129 -8.697 -8.601 1.00 0.00 C ATOM 663 NZ LYS A 43 -8.550 -8.299 -8.402 1.00 0.00 N ATOM 0 H LYS A 43 -3.607 -8.014 -5.116 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.356 -5.387 -5.692 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.906 -6.420 -7.211 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.519 -7.489 -7.139 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -5.866 -8.804 -5.329 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.254 -7.886 -5.880 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.537 -9.729 -7.589 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.134 -10.095 -6.967 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.553 -7.828 -8.918 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -7.070 -9.430 -9.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -8.928 -7.908 -9.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -9.108 -9.132 -8.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.607 -7.579 -7.653 1.00 0.00 H new ATOM 677 N GLU A 44 -6.356 -6.754 -3.481 1.00 0.00 N ATOM 678 CA GLU A 44 -7.465 -6.498 -2.552 1.00 0.00 C ATOM 679 C GLU A 44 -7.072 -5.452 -1.497 1.00 0.00 C ATOM 680 O GLU A 44 -7.808 -4.489 -1.284 1.00 0.00 O ATOM 681 CB GLU A 44 -7.909 -7.836 -1.931 1.00 0.00 C ATOM 682 CG GLU A 44 -8.925 -7.721 -0.782 1.00 0.00 C ATOM 683 CD GLU A 44 -10.231 -6.988 -1.162 1.00 0.00 C ATOM 684 OE1 GLU A 44 -10.723 -7.150 -2.304 1.00 0.00 O ATOM 685 OE2 GLU A 44 -10.787 -6.269 -0.297 1.00 0.00 O ATOM 0 H GLU A 44 -5.918 -7.665 -3.344 1.00 0.00 H new ATOM 0 HA GLU A 44 -8.313 -6.073 -3.089 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.341 -8.456 -2.716 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.026 -8.358 -1.562 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -9.173 -8.722 -0.430 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -8.457 -7.197 0.051 1.00 0.00 H new ATOM 692 N LEU A 45 -5.877 -5.578 -0.909 1.00 0.00 N ATOM 693 CA LEU A 45 -5.237 -4.529 -0.106 1.00 0.00 C ATOM 694 C LEU A 45 -5.107 -3.217 -0.898 1.00 0.00 C ATOM 695 O LEU A 45 -5.556 -2.171 -0.438 1.00 0.00 O ATOM 696 CB LEU A 45 -3.898 -5.092 0.422 1.00 0.00 C ATOM 697 CG LEU A 45 -2.922 -4.055 1.017 1.00 0.00 C ATOM 698 CD1 LEU A 45 -2.148 -4.638 2.201 1.00 0.00 C ATOM 699 CD2 LEU A 45 -1.889 -3.596 -0.019 1.00 0.00 C ATOM 0 H LEU A 45 -5.317 -6.428 -0.979 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.851 -4.260 0.753 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.115 -5.839 1.186 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.395 -5.609 -0.395 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.534 -3.212 1.338 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.469 -3.884 2.599 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.848 -4.942 2.979 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.575 -5.504 1.870 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.218 -2.866 0.435 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.312 -4.455 -0.363 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.401 -3.140 -0.866 1.00 0.00 H new ATOM 711 N LYS A 46 -4.573 -3.259 -2.120 1.00 0.00 N ATOM 712 CA LYS A 46 -4.425 -2.086 -2.998 1.00 0.00 C ATOM 713 C LYS A 46 -5.747 -1.406 -3.339 1.00 0.00 C ATOM 714 O LYS A 46 -5.795 -0.184 -3.431 1.00 0.00 O ATOM 715 CB LYS A 46 -3.588 -2.481 -4.219 1.00 0.00 C ATOM 716 CG LYS A 46 -3.770 -1.637 -5.483 1.00 0.00 C ATOM 717 CD LYS A 46 -4.881 -2.107 -6.439 1.00 0.00 C ATOM 718 CE LYS A 46 -4.908 -1.200 -7.675 1.00 0.00 C ATOM 719 NZ LYS A 46 -5.955 -1.619 -8.646 1.00 0.00 N ATOM 0 H LYS A 46 -4.224 -4.121 -2.539 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.887 -1.308 -2.456 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.536 -2.446 -3.936 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.817 -3.518 -4.467 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.981 -0.610 -5.186 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.827 -1.623 -6.029 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.706 -3.141 -6.737 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.846 -2.080 -5.933 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -5.090 -0.171 -7.366 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -3.933 -1.219 -8.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.942 -0.982 -9.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.768 -2.593 -8.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -6.889 -1.576 -8.190 1.00 0.00 H new ATOM 733 N SER A 47 -6.823 -2.171 -3.489 1.00 0.00 N ATOM 734 CA SER A 47 -8.115 -1.649 -3.949 1.00 0.00 C ATOM 735 C SER A 47 -8.771 -0.751 -2.894 1.00 0.00 C ATOM 736 O SER A 47 -9.503 0.185 -3.223 1.00 0.00 O ATOM 737 CB SER A 47 -9.043 -2.812 -4.314 1.00 0.00 C ATOM 738 OG SER A 47 -10.227 -2.345 -4.938 1.00 0.00 O ATOM 0 H SER A 47 -6.829 -3.173 -3.296 1.00 0.00 H new ATOM 0 HA SER A 47 -7.938 -1.036 -4.833 1.00 0.00 H new ATOM 0 HB2 SER A 47 -8.524 -3.500 -4.981 1.00 0.00 H new ATOM 0 HB3 SER A 47 -9.299 -3.373 -3.415 1.00 0.00 H new ATOM 0 HG SER A 47 -10.801 -3.107 -5.162 1.00 0.00 H new ATOM 744 N VAL A 48 -8.445 -0.986 -1.616 1.00 0.00 N ATOM 745 CA VAL A 48 -8.927 -0.192 -0.480 1.00 0.00 C ATOM 746 C VAL A 48 -7.944 0.908 -0.041 1.00 0.00 C ATOM 747 O VAL A 48 -8.362 1.844 0.641 1.00 0.00 O ATOM 748 CB VAL A 48 -9.307 -1.126 0.682 1.00 0.00 C ATOM 749 CG1 VAL A 48 -8.087 -1.842 1.243 1.00 0.00 C ATOM 750 CG2 VAL A 48 -9.963 -0.393 1.843 1.00 0.00 C ATOM 0 H VAL A 48 -7.827 -1.748 -1.338 1.00 0.00 H new ATOM 0 HA VAL A 48 -9.817 0.344 -0.809 1.00 0.00 H new ATOM 0 HB VAL A 48 -10.015 -1.834 0.251 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.392 -2.493 2.062 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.623 -2.439 0.458 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.371 -1.107 1.611 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -10.208 -1.105 2.631 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -9.277 0.359 2.233 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -10.875 0.093 1.497 1.00 0.00 H new ATOM 760 N ILE A 49 -6.665 0.866 -0.457 1.00 0.00 N ATOM 761 CA ILE A 49 -5.702 1.939 -0.143 1.00 0.00 C ATOM 762 C ILE A 49 -6.269 3.336 -0.496 1.00 0.00 C ATOM 763 O ILE A 49 -6.225 4.217 0.366 1.00 0.00 O ATOM 764 CB ILE A 49 -4.299 1.730 -0.791 1.00 0.00 C ATOM 765 CG1 ILE A 49 -3.528 0.590 -0.092 1.00 0.00 C ATOM 766 CG2 ILE A 49 -3.433 3.010 -0.731 1.00 0.00 C ATOM 767 CD1 ILE A 49 -2.233 0.149 -0.796 1.00 0.00 C ATOM 0 H ILE A 49 -6.275 0.103 -1.010 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.552 1.887 0.935 1.00 0.00 H new ATOM 0 HB ILE A 49 -4.483 1.473 -1.834 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.282 0.907 0.921 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -4.188 -0.273 -0.005 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.465 2.817 -1.194 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.937 3.815 -1.266 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -3.286 3.301 0.309 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.766 -0.655 -0.228 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.467 -0.205 -1.800 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.547 0.994 -0.859 1.00 0.00 H new ATOM 779 N PRO A 50 -6.844 3.568 -1.700 1.00 0.00 N ATOM 780 CA PRO A 50 -7.418 4.870 -2.047 1.00 0.00 C ATOM 781 C PRO A 50 -8.756 5.158 -1.332 1.00 0.00 C ATOM 782 O PRO A 50 -9.129 6.318 -1.175 1.00 0.00 O ATOM 783 CB PRO A 50 -7.592 4.840 -3.568 1.00 0.00 C ATOM 784 CG PRO A 50 -7.787 3.358 -3.883 1.00 0.00 C ATOM 785 CD PRO A 50 -6.921 2.665 -2.847 1.00 0.00 C ATOM 0 HA PRO A 50 -6.761 5.676 -1.720 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -8.450 5.433 -3.884 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -6.719 5.246 -4.079 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -8.833 3.062 -3.796 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -7.471 3.117 -4.898 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.353 1.707 -2.558 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -5.928 2.459 -3.246 1.00 0.00 H new ATOM 793 N ASP A 51 -9.479 4.142 -0.847 1.00 0.00 N ATOM 794 CA ASP A 51 -10.720 4.307 -0.065 1.00 0.00 C ATOM 795 C ASP A 51 -10.466 4.978 1.296 1.00 0.00 C ATOM 796 O ASP A 51 -11.289 5.772 1.763 1.00 0.00 O ATOM 797 CB ASP A 51 -11.409 2.945 0.137 1.00 0.00 C ATOM 798 CG ASP A 51 -12.803 2.884 -0.501 1.00 0.00 C ATOM 799 OD1 ASP A 51 -12.914 3.017 -1.742 1.00 0.00 O ATOM 800 OD2 ASP A 51 -13.786 2.687 0.249 1.00 0.00 O ATOM 0 H ASP A 51 -9.219 3.166 -0.986 1.00 0.00 H new ATOM 0 HA ASP A 51 -11.376 4.965 -0.636 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -10.784 2.160 -0.290 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -11.494 2.740 1.204 1.00 0.00 H new ATOM 805 N ALA A 52 -9.293 4.746 1.895 1.00 0.00 N ATOM 806 CA ALA A 52 -8.807 5.484 3.065 1.00 0.00 C ATOM 807 C ALA A 52 -8.589 6.992 2.800 1.00 0.00 C ATOM 808 O ALA A 52 -8.449 7.770 3.744 1.00 0.00 O ATOM 809 CB ALA A 52 -7.531 4.809 3.576 1.00 0.00 C ATOM 0 H ALA A 52 -8.644 4.028 1.574 1.00 0.00 H new ATOM 0 HA ALA A 52 -9.582 5.447 3.831 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -7.158 5.348 4.447 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -7.751 3.778 3.854 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -6.774 4.820 2.791 1.00 0.00 H new ATOM 815 N LEU A 53 -8.605 7.407 1.528 1.00 0.00 N ATOM 816 CA LEU A 53 -8.413 8.785 1.059 1.00 0.00 C ATOM 817 C LEU A 53 -9.712 9.386 0.470 1.00 0.00 C ATOM 818 O LEU A 53 -9.789 10.596 0.251 1.00 0.00 O ATOM 819 CB LEU A 53 -7.283 8.816 0.003 1.00 0.00 C ATOM 820 CG LEU A 53 -6.071 7.889 0.243 1.00 0.00 C ATOM 821 CD1 LEU A 53 -5.087 7.960 -0.924 1.00 0.00 C ATOM 822 CD2 LEU A 53 -5.311 8.224 1.524 1.00 0.00 C ATOM 0 H LEU A 53 -8.760 6.757 0.757 1.00 0.00 H new ATOM 0 HA LEU A 53 -8.136 9.397 1.918 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -7.717 8.562 -0.964 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.917 9.840 -0.071 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.485 6.885 0.336 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.243 7.298 -0.729 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.587 7.650 -1.841 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.727 8.983 -1.035 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.471 7.539 1.638 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.940 9.248 1.470 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.979 8.125 2.380 1.00 0.00 H new ATOM 834 N SER A 54 -10.734 8.550 0.234 1.00 0.00 N ATOM 835 CA SER A 54 -12.011 8.913 -0.407 1.00 0.00 C ATOM 836 C SER A 54 -13.174 8.988 0.593 1.00 0.00 C ATOM 837 O SER A 54 -14.021 9.880 0.513 1.00 0.00 O ATOM 838 CB SER A 54 -12.341 7.865 -1.481 1.00 0.00 C ATOM 839 OG SER A 54 -13.301 8.372 -2.393 1.00 0.00 O ATOM 0 H SER A 54 -10.694 7.564 0.494 1.00 0.00 H new ATOM 0 HA SER A 54 -11.892 9.905 -0.843 1.00 0.00 H new ATOM 0 HB2 SER A 54 -11.433 7.587 -2.017 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.722 6.960 -1.009 1.00 0.00 H new ATOM 0 HG SER A 54 -13.499 7.693 -3.071 1.00 0.00 H new ATOM 845 N ASN A 55 -13.186 8.078 1.574 1.00 0.00 N ATOM 846 CA ASN A 55 -14.203 7.961 2.630 1.00 0.00 C ATOM 847 C ASN A 55 -13.591 7.461 3.954 1.00 0.00 C ATOM 848 O ASN A 55 -14.275 6.814 4.744 1.00 0.00 O ATOM 849 CB ASN A 55 -15.380 7.078 2.139 1.00 0.00 C ATOM 850 CG ASN A 55 -14.966 5.903 1.273 1.00 0.00 C ATOM 851 OD1 ASN A 55 -15.110 5.912 0.059 1.00 0.00 O ATOM 852 ND2 ASN A 55 -14.433 4.864 1.865 1.00 0.00 N ATOM 0 H ASN A 55 -12.456 7.371 1.659 1.00 0.00 H new ATOM 0 HA ASN A 55 -14.604 8.952 2.844 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -15.921 6.701 3.007 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -16.075 7.701 1.576 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -14.137 4.059 1.313 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -14.314 4.860 2.878 1.00 0.00 H new ATOM 859 N GLU A 56 -12.295 7.702 4.192 1.00 0.00 N ATOM 860 CA GLU A 56 -11.564 7.269 5.402 1.00 0.00 C ATOM 861 C GLU A 56 -11.742 5.766 5.722 1.00 0.00 C ATOM 862 O GLU A 56 -11.739 5.355 6.885 1.00 0.00 O ATOM 863 CB GLU A 56 -11.908 8.191 6.590 1.00 0.00 C ATOM 864 CG GLU A 56 -11.562 9.662 6.316 1.00 0.00 C ATOM 865 CD GLU A 56 -11.851 10.534 7.554 1.00 0.00 C ATOM 866 OE1 GLU A 56 -10.948 10.706 8.408 1.00 0.00 O ATOM 867 OE2 GLU A 56 -12.984 11.064 7.679 1.00 0.00 O ATOM 0 H GLU A 56 -11.707 8.216 3.536 1.00 0.00 H new ATOM 0 HA GLU A 56 -10.498 7.373 5.199 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -12.972 8.107 6.814 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -11.369 7.854 7.475 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.510 9.748 6.043 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -12.142 10.024 5.467 1.00 0.00 H new ATOM 874 N CYS A 57 -11.923 4.938 4.680 1.00 0.00 N ATOM 875 CA CYS A 57 -12.218 3.503 4.772 1.00 0.00 C ATOM 876 C CYS A 57 -13.495 3.184 5.596 1.00 0.00 C ATOM 877 O CYS A 57 -13.618 2.117 6.191 1.00 0.00 O ATOM 878 CB CYS A 57 -10.960 2.783 5.296 1.00 0.00 C ATOM 879 SG CYS A 57 -10.611 1.109 4.685 1.00 0.00 S ATOM 0 H CYS A 57 -11.865 5.264 3.715 1.00 0.00 H new ATOM 0 HA CYS A 57 -12.458 3.127 3.777 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -10.098 3.408 5.064 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -11.034 2.732 6.382 1.00 0.00 H new ATOM 884 N ALA A 58 -14.473 4.090 5.683 1.00 0.00 N ATOM 885 CA ALA A 58 -15.658 3.908 6.529 1.00 0.00 C ATOM 886 C ALA A 58 -16.564 2.726 6.126 1.00 0.00 C ATOM 887 O ALA A 58 -17.260 2.166 6.976 1.00 0.00 O ATOM 888 CB ALA A 58 -16.436 5.233 6.525 1.00 0.00 C ATOM 0 H ALA A 58 -14.466 4.971 5.169 1.00 0.00 H new ATOM 0 HA ALA A 58 -15.317 3.646 7.531 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -17.326 5.134 7.146 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -15.804 6.027 6.921 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -16.731 5.479 5.505 1.00 0.00 H new ATOM 894 N LYS A 59 -16.528 2.312 4.850 1.00 0.00 N ATOM 895 CA LYS A 59 -17.240 1.126 4.334 1.00 0.00 C ATOM 896 C LYS A 59 -16.483 -0.200 4.545 1.00 0.00 C ATOM 897 O LYS A 59 -17.016 -1.269 4.245 1.00 0.00 O ATOM 898 CB LYS A 59 -17.570 1.335 2.841 1.00 0.00 C ATOM 899 CG LYS A 59 -18.426 2.578 2.529 1.00 0.00 C ATOM 900 CD LYS A 59 -19.807 2.553 3.210 1.00 0.00 C ATOM 901 CE LYS A 59 -20.656 3.790 2.879 1.00 0.00 C ATOM 902 NZ LYS A 59 -21.100 3.819 1.458 1.00 0.00 N ATOM 0 H LYS A 59 -15.993 2.800 4.131 1.00 0.00 H new ATOM 0 HA LYS A 59 -18.157 1.031 4.915 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -16.635 1.408 2.285 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -18.092 0.452 2.473 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -17.888 3.471 2.848 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -18.562 2.656 1.450 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -20.344 1.656 2.900 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -19.674 2.488 4.290 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -21.531 3.810 3.529 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -20.079 4.690 3.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -21.683 4.665 1.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -20.268 3.845 0.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -21.660 2.967 1.252 1.00 0.00 H new ATOM 916 N CYS A 60 -15.244 -0.144 5.036 1.00 0.00 N ATOM 917 CA CYS A 60 -14.345 -1.277 5.217 1.00 0.00 C ATOM 918 C CYS A 60 -14.664 -2.115 6.465 1.00 0.00 C ATOM 919 O CYS A 60 -15.288 -1.653 7.426 1.00 0.00 O ATOM 920 CB CYS A 60 -12.931 -0.713 5.366 1.00 0.00 C ATOM 921 SG CYS A 60 -12.359 0.310 3.992 1.00 0.00 S ATOM 0 H CYS A 60 -14.823 0.737 5.332 1.00 0.00 H new ATOM 0 HA CYS A 60 -14.455 -1.936 4.356 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -12.888 -0.121 6.280 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -12.237 -1.544 5.492 1.00 0.00 H new ATOM 926 N ASN A 61 -14.123 -3.330 6.478 1.00 0.00 N ATOM 927 CA ASN A 61 -13.953 -4.156 7.677 1.00 0.00 C ATOM 928 C ASN A 61 -12.777 -3.651 8.535 1.00 0.00 C ATOM 929 O ASN A 61 -11.831 -3.049 8.023 1.00 0.00 O ATOM 930 CB ASN A 61 -13.748 -5.627 7.261 1.00 0.00 C ATOM 931 CG ASN A 61 -12.619 -5.828 6.261 1.00 0.00 C ATOM 932 OD1 ASN A 61 -12.614 -5.280 5.172 1.00 0.00 O ATOM 933 ND2 ASN A 61 -11.621 -6.614 6.581 1.00 0.00 N ATOM 0 H ASN A 61 -13.780 -3.783 5.631 1.00 0.00 H new ATOM 0 HA ASN A 61 -14.852 -4.084 8.289 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -13.543 -6.222 8.151 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -14.675 -6.006 6.830 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -10.855 -6.760 5.923 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -11.610 -7.080 7.488 1.00 0.00 H new ATOM 940 N GLU A 62 -12.802 -3.942 9.839 1.00 0.00 N ATOM 941 CA GLU A 62 -11.783 -3.485 10.802 1.00 0.00 C ATOM 942 C GLU A 62 -10.347 -3.909 10.448 1.00 0.00 C ATOM 943 O GLU A 62 -9.403 -3.153 10.688 1.00 0.00 O ATOM 944 CB GLU A 62 -12.165 -3.922 12.229 1.00 0.00 C ATOM 945 CG GLU A 62 -12.158 -5.442 12.462 1.00 0.00 C ATOM 946 CD GLU A 62 -12.635 -5.782 13.888 1.00 0.00 C ATOM 947 OE1 GLU A 62 -11.792 -5.851 14.816 1.00 0.00 O ATOM 948 OE2 GLU A 62 -13.856 -5.988 14.092 1.00 0.00 O ATOM 0 H GLU A 62 -13.536 -4.507 10.265 1.00 0.00 H new ATOM 0 HA GLU A 62 -11.776 -2.396 10.748 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -11.475 -3.458 12.933 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -13.159 -3.538 12.457 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -12.805 -5.929 11.732 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.152 -5.833 12.308 1.00 0.00 H new ATOM 955 N LYS A 63 -10.175 -5.085 9.824 1.00 0.00 N ATOM 956 CA LYS A 63 -8.855 -5.603 9.419 1.00 0.00 C ATOM 957 C LYS A 63 -8.217 -4.732 8.333 1.00 0.00 C ATOM 958 O LYS A 63 -7.039 -4.397 8.429 1.00 0.00 O ATOM 959 CB LYS A 63 -8.959 -7.068 8.952 1.00 0.00 C ATOM 960 CG LYS A 63 -9.594 -8.043 9.967 1.00 0.00 C ATOM 961 CD LYS A 63 -8.833 -8.208 11.292 1.00 0.00 C ATOM 962 CE LYS A 63 -7.508 -8.957 11.095 1.00 0.00 C ATOM 963 NZ LYS A 63 -6.783 -9.131 12.383 1.00 0.00 N ATOM 0 H LYS A 63 -10.948 -5.706 9.585 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.207 -5.567 10.295 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -9.542 -7.098 8.032 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.959 -7.425 8.707 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -10.605 -7.701 10.189 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -9.685 -9.022 9.496 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.636 -7.227 11.723 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -9.455 -8.750 12.004 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.703 -9.933 10.651 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.879 -8.408 10.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.892 -9.641 12.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.576 -8.198 12.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.374 -9.676 13.043 1.00 0.00 H new ATOM 977 N GLN A 64 -9.004 -4.314 7.339 1.00 0.00 N ATOM 978 CA GLN A 64 -8.584 -3.351 6.311 1.00 0.00 C ATOM 979 C GLN A 64 -8.404 -1.932 6.878 1.00 0.00 C ATOM 980 O GLN A 64 -7.383 -1.306 6.592 1.00 0.00 O ATOM 981 CB GLN A 64 -9.599 -3.325 5.157 1.00 0.00 C ATOM 982 CG GLN A 64 -9.648 -4.621 4.330 1.00 0.00 C ATOM 983 CD GLN A 64 -8.534 -4.764 3.297 1.00 0.00 C ATOM 984 OE1 GLN A 64 -7.353 -4.571 3.553 1.00 0.00 O ATOM 985 NE2 GLN A 64 -8.884 -5.110 2.079 1.00 0.00 N ATOM 0 H GLN A 64 -9.964 -4.637 7.221 1.00 0.00 H new ATOM 0 HA GLN A 64 -7.614 -3.683 5.940 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -10.591 -3.130 5.565 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -9.358 -2.494 4.495 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -9.604 -5.471 5.011 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -10.608 -4.672 3.817 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -9.866 -5.273 1.857 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -8.173 -5.216 1.355 1.00 0.00 H new ATOM 994 N LYS A 65 -9.337 -1.442 7.715 1.00 0.00 N ATOM 995 CA LYS A 65 -9.237 -0.116 8.372 1.00 0.00 C ATOM 996 C LYS A 65 -7.939 0.072 9.159 1.00 0.00 C ATOM 997 O LYS A 65 -7.271 1.090 8.997 1.00 0.00 O ATOM 998 CB LYS A 65 -10.422 0.176 9.316 1.00 0.00 C ATOM 999 CG LYS A 65 -11.723 0.514 8.578 1.00 0.00 C ATOM 1000 CD LYS A 65 -12.705 1.358 9.417 1.00 0.00 C ATOM 1001 CE LYS A 65 -13.902 0.540 9.911 1.00 0.00 C ATOM 1002 NZ LYS A 65 -14.733 1.316 10.871 1.00 0.00 N ATOM 0 H LYS A 65 -10.186 -1.953 7.958 1.00 0.00 H new ATOM 0 HA LYS A 65 -9.253 0.591 7.542 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -10.590 -0.692 9.954 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -10.159 1.007 9.971 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -11.482 1.054 7.663 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -12.214 -0.413 8.281 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -12.178 1.780 10.273 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -13.063 2.196 8.819 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -14.513 0.237 9.061 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -13.548 -0.373 10.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -15.535 0.733 11.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -14.155 1.583 11.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -15.091 2.174 10.406 1.00 0.00 H new ATOM 1016 N GLU A 66 -7.572 -0.894 10.000 1.00 0.00 N ATOM 1017 CA GLU A 66 -6.281 -0.879 10.700 1.00 0.00 C ATOM 1018 C GLU A 66 -5.119 -1.169 9.737 1.00 0.00 C ATOM 1019 O GLU A 66 -4.071 -0.529 9.822 1.00 0.00 O ATOM 1020 CB GLU A 66 -6.288 -1.901 11.850 1.00 0.00 C ATOM 1021 CG GLU A 66 -7.261 -1.547 12.987 1.00 0.00 C ATOM 1022 CD GLU A 66 -6.844 -0.264 13.731 1.00 0.00 C ATOM 1023 OE1 GLU A 66 -5.997 -0.339 14.654 1.00 0.00 O ATOM 1024 OE2 GLU A 66 -7.355 0.831 13.394 1.00 0.00 O ATOM 0 H GLU A 66 -8.153 -1.704 10.216 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.134 0.119 11.112 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.550 -2.881 11.451 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.281 -1.982 12.258 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.263 -1.419 12.578 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.308 -2.376 13.694 1.00 0.00 H new ATOM 1031 N GLY A 67 -5.321 -2.096 8.796 1.00 0.00 N ATOM 1032 CA GLY A 67 -4.324 -2.576 7.843 1.00 0.00 C ATOM 1033 C GLY A 67 -3.778 -1.508 6.901 1.00 0.00 C ATOM 1034 O GLY A 67 -2.618 -1.127 7.018 1.00 0.00 O ATOM 0 H GLY A 67 -6.226 -2.551 8.675 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -3.493 -3.013 8.396 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.765 -3.375 7.248 1.00 0.00 H new ATOM 1038 N THR A 68 -4.569 -0.971 5.971 1.00 0.00 N ATOM 1039 CA THR A 68 -4.027 0.001 5.001 1.00 0.00 C ATOM 1040 C THR A 68 -3.481 1.260 5.679 1.00 0.00 C ATOM 1041 O THR A 68 -2.475 1.796 5.223 1.00 0.00 O ATOM 1042 CB THR A 68 -5.027 0.364 3.896 1.00 0.00 C ATOM 1043 OG1 THR A 68 -6.230 0.880 4.424 1.00 0.00 O ATOM 1044 CG2 THR A 68 -5.347 -0.880 3.067 1.00 0.00 C ATOM 0 H THR A 68 -5.561 -1.180 5.863 1.00 0.00 H new ATOM 0 HA THR A 68 -3.190 -0.506 4.521 1.00 0.00 H new ATOM 0 HB THR A 68 -4.567 1.133 3.276 1.00 0.00 H new ATOM 0 HG1 THR A 68 -6.841 1.101 3.690 1.00 0.00 H new ATOM 0 HG21 THR A 68 -6.058 -0.621 2.282 1.00 0.00 H new ATOM 0 HG22 THR A 68 -4.431 -1.262 2.616 1.00 0.00 H new ATOM 0 HG23 THR A 68 -5.781 -1.645 3.711 1.00 0.00 H new ATOM 1052 N LYS A 69 -4.066 1.671 6.814 1.00 0.00 N ATOM 1053 CA LYS A 69 -3.594 2.763 7.684 1.00 0.00 C ATOM 1054 C LYS A 69 -2.205 2.509 8.294 1.00 0.00 C ATOM 1055 O LYS A 69 -1.326 3.358 8.163 1.00 0.00 O ATOM 1056 CB LYS A 69 -4.661 2.982 8.766 1.00 0.00 C ATOM 1057 CG LYS A 69 -4.344 4.134 9.734 1.00 0.00 C ATOM 1058 CD LYS A 69 -5.506 4.409 10.702 1.00 0.00 C ATOM 1059 CE LYS A 69 -5.856 3.167 11.536 1.00 0.00 C ATOM 1060 NZ LYS A 69 -6.942 3.424 12.513 1.00 0.00 N ATOM 0 H LYS A 69 -4.917 1.234 7.167 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.462 3.662 7.082 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.618 3.180 8.283 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -4.777 2.062 9.339 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -3.447 3.892 10.304 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -4.126 5.037 9.164 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -5.239 5.231 11.367 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -6.382 4.727 10.138 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.156 2.359 10.869 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -4.967 2.828 12.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -7.256 2.524 12.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -6.590 4.049 13.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -7.742 3.880 12.030 1.00 0.00 H new ATOM 1074 N LYS A 70 -1.968 1.357 8.936 1.00 0.00 N ATOM 1075 CA LYS A 70 -0.646 1.001 9.498 1.00 0.00 C ATOM 1076 C LYS A 70 0.377 0.792 8.386 1.00 0.00 C ATOM 1077 O LYS A 70 1.500 1.282 8.469 1.00 0.00 O ATOM 1078 CB LYS A 70 -0.731 -0.192 10.488 1.00 0.00 C ATOM 1079 CG LYS A 70 -0.917 -1.593 9.872 1.00 0.00 C ATOM 1080 CD LYS A 70 -1.415 -2.698 10.822 1.00 0.00 C ATOM 1081 CE LYS A 70 -0.516 -2.971 12.040 1.00 0.00 C ATOM 1082 NZ LYS A 70 0.685 -3.787 11.715 1.00 0.00 N ATOM 0 H LYS A 70 -2.682 0.643 9.083 1.00 0.00 H new ATOM 0 HA LYS A 70 -0.295 1.843 10.095 1.00 0.00 H new ATOM 0 HB2 LYS A 70 0.180 -0.202 11.087 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.560 -0.008 11.171 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -1.621 -1.511 9.044 1.00 0.00 H new ATOM 0 HG3 LYS A 70 0.037 -1.910 9.450 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -2.409 -2.428 11.178 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -1.520 -3.622 10.254 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -0.196 -2.020 12.467 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -1.099 -3.484 12.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 1.462 -3.531 12.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 0.460 -4.796 11.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 0.973 -3.605 10.732 1.00 0.00 H new ATOM 1096 N VAL A 71 -0.005 0.098 7.319 1.00 0.00 N ATOM 1097 CA VAL A 71 0.877 -0.243 6.195 1.00 0.00 C ATOM 1098 C VAL A 71 1.348 0.988 5.431 1.00 0.00 C ATOM 1099 O VAL A 71 2.540 1.084 5.162 1.00 0.00 O ATOM 1100 CB VAL A 71 0.177 -1.259 5.280 1.00 0.00 C ATOM 1101 CG1 VAL A 71 0.986 -1.601 4.021 1.00 0.00 C ATOM 1102 CG2 VAL A 71 -0.055 -2.543 6.088 1.00 0.00 C ATOM 0 H VAL A 71 -0.956 -0.253 7.204 1.00 0.00 H new ATOM 0 HA VAL A 71 1.781 -0.701 6.597 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.757 -0.812 4.941 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.435 -2.323 3.419 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.152 -0.695 3.438 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.946 -2.028 4.310 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.552 -3.283 5.461 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.903 -2.938 6.426 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.681 -2.321 6.952 1.00 0.00 H new ATOM 1112 N LEU A 72 0.473 1.971 5.193 1.00 0.00 N ATOM 1113 CA LEU A 72 0.816 3.276 4.608 1.00 0.00 C ATOM 1114 C LEU A 72 2.031 3.916 5.282 1.00 0.00 C ATOM 1115 O LEU A 72 2.932 4.381 4.588 1.00 0.00 O ATOM 1116 CB LEU A 72 -0.457 4.150 4.613 1.00 0.00 C ATOM 1117 CG LEU A 72 -0.378 5.675 4.803 1.00 0.00 C ATOM 1118 CD1 LEU A 72 -1.728 6.242 4.373 1.00 0.00 C ATOM 1119 CD2 LEU A 72 -0.185 6.068 6.274 1.00 0.00 C ATOM 0 H LEU A 72 -0.520 1.881 5.407 1.00 0.00 H new ATOM 0 HA LEU A 72 1.140 3.157 3.574 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -0.967 3.974 3.666 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.104 3.765 5.401 1.00 0.00 H new ATOM 0 HG LEU A 72 0.466 6.054 4.227 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.721 7.326 4.490 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.912 5.991 3.328 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.516 5.815 4.993 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.135 7.154 6.357 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -1.024 5.697 6.863 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.741 5.633 6.648 1.00 0.00 H new ATOM 1131 N LYS A 73 2.094 3.870 6.620 1.00 0.00 N ATOM 1132 CA LYS A 73 3.134 4.534 7.416 1.00 0.00 C ATOM 1133 C LYS A 73 4.493 3.845 7.270 1.00 0.00 C ATOM 1134 O LYS A 73 5.515 4.500 7.065 1.00 0.00 O ATOM 1135 CB LYS A 73 2.654 4.531 8.884 1.00 0.00 C ATOM 1136 CG LYS A 73 3.583 5.258 9.868 1.00 0.00 C ATOM 1137 CD LYS A 73 3.760 6.754 9.573 1.00 0.00 C ATOM 1138 CE LYS A 73 2.746 7.678 10.275 1.00 0.00 C ATOM 1139 NZ LYS A 73 1.328 7.437 9.885 1.00 0.00 N ATOM 0 H LYS A 73 1.414 3.363 7.187 1.00 0.00 H new ATOM 0 HA LYS A 73 3.282 5.554 7.063 1.00 0.00 H new ATOM 0 HB2 LYS A 73 1.667 4.992 8.930 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.538 3.498 9.211 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.188 5.142 10.877 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.561 4.777 9.851 1.00 0.00 H new ATOM 0 HD2 LYS A 73 4.766 7.051 9.869 1.00 0.00 H new ATOM 0 HD3 LYS A 73 3.686 6.908 8.497 1.00 0.00 H new ATOM 0 HE2 LYS A 73 2.841 7.551 11.353 1.00 0.00 H new ATOM 0 HE3 LYS A 73 3.001 8.714 10.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 0.735 8.216 10.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 1.257 7.386 8.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.002 6.541 10.299 1.00 0.00 H new ATOM 1153 N HIS A 74 4.486 2.515 7.320 1.00 0.00 N ATOM 1154 CA HIS A 74 5.652 1.665 7.041 1.00 0.00 C ATOM 1155 C HIS A 74 6.125 1.836 5.598 1.00 0.00 C ATOM 1156 O HIS A 74 7.317 2.019 5.380 1.00 0.00 O ATOM 1157 CB HIS A 74 5.333 0.184 7.310 1.00 0.00 C ATOM 1158 CG HIS A 74 4.998 -0.144 8.741 1.00 0.00 C ATOM 1159 ND1 HIS A 74 3.744 -0.051 9.301 1.00 0.00 N ATOM 1160 CD2 HIS A 74 5.819 -0.728 9.667 1.00 0.00 C ATOM 1161 CE1 HIS A 74 3.775 -0.603 10.523 1.00 0.00 C ATOM 1162 NE2 HIS A 74 5.041 -0.995 10.784 1.00 0.00 N ATOM 0 H HIS A 74 3.651 1.981 7.561 1.00 0.00 H new ATOM 0 HA HIS A 74 6.452 1.980 7.712 1.00 0.00 H new ATOM 0 HB2 HIS A 74 4.495 -0.112 6.679 1.00 0.00 H new ATOM 0 HB3 HIS A 74 6.189 -0.418 7.006 1.00 0.00 H new ATOM 0 HD1 HIS A 74 2.926 0.369 8.859 1.00 0.00 H new ATOM 0 HD2 HIS A 74 6.871 -0.940 9.550 1.00 0.00 H new ATOM 0 HE1 HIS A 74 2.930 -0.715 11.186 1.00 0.00 H new ATOM 1171 N LEU A 75 5.218 1.831 4.621 1.00 0.00 N ATOM 1172 CA LEU A 75 5.561 1.960 3.204 1.00 0.00 C ATOM 1173 C LEU A 75 6.300 3.278 2.927 1.00 0.00 C ATOM 1174 O LEU A 75 7.348 3.262 2.290 1.00 0.00 O ATOM 1175 CB LEU A 75 4.278 1.888 2.348 1.00 0.00 C ATOM 1176 CG LEU A 75 4.083 0.561 1.601 1.00 0.00 C ATOM 1177 CD1 LEU A 75 4.208 -0.669 2.507 1.00 0.00 C ATOM 1178 CD2 LEU A 75 2.711 0.572 0.924 1.00 0.00 C ATOM 0 H LEU A 75 4.217 1.737 4.792 1.00 0.00 H new ATOM 0 HA LEU A 75 6.225 1.138 2.939 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.416 2.057 2.994 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.296 2.700 1.621 1.00 0.00 H new ATOM 0 HG LEU A 75 4.882 0.481 0.864 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.059 -1.573 1.916 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.200 -0.689 2.958 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.453 -0.621 3.292 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.561 -0.366 0.390 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.934 0.688 1.679 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.659 1.402 0.220 1.00 0.00 H new ATOM 1190 N ILE A 76 5.815 4.410 3.452 1.00 0.00 N ATOM 1191 CA ILE A 76 6.506 5.704 3.310 1.00 0.00 C ATOM 1192 C ILE A 76 7.852 5.733 4.071 1.00 0.00 C ATOM 1193 O ILE A 76 8.821 6.297 3.568 1.00 0.00 O ATOM 1194 CB ILE A 76 5.533 6.865 3.649 1.00 0.00 C ATOM 1195 CG1 ILE A 76 6.043 8.260 3.253 1.00 0.00 C ATOM 1196 CG2 ILE A 76 5.024 6.922 5.096 1.00 0.00 C ATOM 1197 CD1 ILE A 76 6.871 8.998 4.318 1.00 0.00 C ATOM 0 H ILE A 76 4.944 4.459 3.981 1.00 0.00 H new ATOM 0 HA ILE A 76 6.797 5.848 2.269 1.00 0.00 H new ATOM 0 HB ILE A 76 4.685 6.599 3.018 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.649 8.162 2.352 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.185 8.880 2.994 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.353 7.773 5.212 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.487 6.002 5.329 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.870 7.031 5.775 1.00 0.00 H new ATOM 0 HD11 ILE A 76 7.178 9.970 3.931 1.00 0.00 H new ATOM 0 HD12 ILE A 76 6.268 9.138 5.215 1.00 0.00 H new ATOM 0 HD13 ILE A 76 7.755 8.410 4.564 1.00 0.00 H new ATOM 1209 N ASN A 77 7.955 5.059 5.227 1.00 0.00 N ATOM 1210 CA ASN A 77 9.203 4.920 6.007 1.00 0.00 C ATOM 1211 C ASN A 77 10.255 3.962 5.400 1.00 0.00 C ATOM 1212 O ASN A 77 11.447 4.110 5.675 1.00 0.00 O ATOM 1213 CB ASN A 77 8.863 4.458 7.440 1.00 0.00 C ATOM 1214 CG ASN A 77 8.602 5.629 8.366 1.00 0.00 C ATOM 1215 OD1 ASN A 77 9.432 5.992 9.185 1.00 0.00 O ATOM 1216 ND2 ASN A 77 7.464 6.270 8.245 1.00 0.00 N ATOM 0 H ASN A 77 7.161 4.585 5.657 1.00 0.00 H new ATOM 0 HA ASN A 77 9.664 5.908 5.997 1.00 0.00 H new ATOM 0 HB2 ASN A 77 7.985 3.813 7.414 1.00 0.00 H new ATOM 0 HB3 ASN A 77 9.686 3.861 7.833 1.00 0.00 H new ATOM 0 HD21 ASN A 77 7.268 7.077 8.837 1.00 0.00 H new ATOM 0 HD22 ASN A 77 6.775 5.961 7.559 1.00 0.00 H new ATOM 1223 N HIS A 78 9.832 2.967 4.610 1.00 0.00 N ATOM 1224 CA HIS A 78 10.695 1.848 4.155 1.00 0.00 C ATOM 1225 C HIS A 78 10.827 1.682 2.636 1.00 0.00 C ATOM 1226 O HIS A 78 11.807 1.103 2.163 1.00 0.00 O ATOM 1227 CB HIS A 78 10.196 0.535 4.770 1.00 0.00 C ATOM 1228 CG HIS A 78 10.424 0.438 6.260 1.00 0.00 C ATOM 1229 ND1 HIS A 78 11.645 0.246 6.882 1.00 0.00 N ATOM 1230 CD2 HIS A 78 9.469 0.527 7.238 1.00 0.00 C ATOM 1231 CE1 HIS A 78 11.437 0.222 8.214 1.00 0.00 C ATOM 1232 NE2 HIS A 78 10.121 0.394 8.453 1.00 0.00 N ATOM 0 H HIS A 78 8.875 2.907 4.261 1.00 0.00 H new ATOM 0 HA HIS A 78 11.696 2.105 4.500 1.00 0.00 H new ATOM 0 HB2 HIS A 78 9.130 0.431 4.567 1.00 0.00 H new ATOM 0 HB3 HIS A 78 10.697 -0.299 4.279 1.00 0.00 H new ATOM 0 HD2 HIS A 78 8.409 0.673 7.090 1.00 0.00 H new ATOM 0 HE1 HIS A 78 12.200 0.087 8.967 1.00 0.00 H new ATOM 0 HE2 HIS A 78 9.680 0.422 9.373 1.00 0.00 H new ATOM 1241 N LYS A 79 9.881 2.222 1.870 1.00 0.00 N ATOM 1242 CA LYS A 79 9.868 2.285 0.400 1.00 0.00 C ATOM 1243 C LYS A 79 9.537 3.707 -0.076 1.00 0.00 C ATOM 1244 O LYS A 79 8.601 3.884 -0.848 1.00 0.00 O ATOM 1245 CB LYS A 79 8.903 1.204 -0.149 1.00 0.00 C ATOM 1246 CG LYS A 79 9.503 -0.204 -0.265 1.00 0.00 C ATOM 1247 CD LYS A 79 10.409 -0.382 -1.496 1.00 0.00 C ATOM 1248 CE LYS A 79 11.796 0.262 -1.340 1.00 0.00 C ATOM 1249 NZ LYS A 79 12.813 -0.365 -2.228 1.00 0.00 N ATOM 0 H LYS A 79 9.052 2.654 2.278 1.00 0.00 H new ATOM 0 HA LYS A 79 10.858 2.064 0.001 1.00 0.00 H new ATOM 0 HB2 LYS A 79 8.028 1.157 0.499 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.554 1.516 -1.133 1.00 0.00 H new ATOM 0 HG2 LYS A 79 10.078 -0.421 0.635 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.694 -0.933 -0.310 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.533 -1.447 -1.694 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.914 0.049 -2.366 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.727 1.326 -1.565 1.00 0.00 H new ATOM 0 HE3 LYS A 79 12.120 0.176 -0.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 13.732 0.102 -2.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 12.900 -1.375 -1.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 12.519 -0.260 -3.220 1.00 0.00 H new ATOM 1263 N PRO A 80 10.299 4.735 0.341 1.00 0.00 N ATOM 1264 CA PRO A 80 9.996 6.140 0.032 1.00 0.00 C ATOM 1265 C PRO A 80 10.014 6.441 -1.477 1.00 0.00 C ATOM 1266 O PRO A 80 9.142 7.145 -1.989 1.00 0.00 O ATOM 1267 CB PRO A 80 11.055 6.946 0.793 1.00 0.00 C ATOM 1268 CG PRO A 80 12.234 5.978 0.912 1.00 0.00 C ATOM 1269 CD PRO A 80 11.559 4.619 1.064 1.00 0.00 C ATOM 0 HA PRO A 80 8.983 6.401 0.338 1.00 0.00 H new ATOM 0 HB2 PRO A 80 11.333 7.851 0.253 1.00 0.00 H new ATOM 0 HB3 PRO A 80 10.693 7.258 1.773 1.00 0.00 H new ATOM 0 HG2 PRO A 80 12.874 6.013 0.030 1.00 0.00 H new ATOM 0 HG3 PRO A 80 12.862 6.213 1.771 1.00 0.00 H new ATOM 0 HD2 PRO A 80 12.178 3.823 0.650 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.390 4.378 2.114 1.00 0.00 H new ATOM 1277 N ASP A 81 10.973 5.862 -2.206 1.00 0.00 N ATOM 1278 CA ASP A 81 11.108 6.003 -3.665 1.00 0.00 C ATOM 1279 C ASP A 81 9.935 5.390 -4.461 1.00 0.00 C ATOM 1280 O ASP A 81 9.538 5.928 -5.496 1.00 0.00 O ATOM 1281 CB ASP A 81 12.436 5.363 -4.089 1.00 0.00 C ATOM 1282 CG ASP A 81 12.717 5.548 -5.591 1.00 0.00 C ATOM 1283 OD1 ASP A 81 13.104 6.670 -5.996 1.00 0.00 O ATOM 1284 OD2 ASP A 81 12.573 4.567 -6.358 1.00 0.00 O ATOM 0 H ASP A 81 11.693 5.270 -1.793 1.00 0.00 H new ATOM 0 HA ASP A 81 11.091 7.068 -3.898 1.00 0.00 H new ATOM 0 HB2 ASP A 81 13.250 5.802 -3.512 1.00 0.00 H new ATOM 0 HB3 ASP A 81 12.416 4.299 -3.853 1.00 0.00 H new ATOM 1289 N VAL A 82 9.361 4.278 -3.982 1.00 0.00 N ATOM 1290 CA VAL A 82 8.157 3.662 -4.576 1.00 0.00 C ATOM 1291 C VAL A 82 6.869 4.316 -4.066 1.00 0.00 C ATOM 1292 O VAL A 82 5.949 4.546 -4.848 1.00 0.00 O ATOM 1293 CB VAL A 82 8.125 2.141 -4.361 1.00 0.00 C ATOM 1294 CG1 VAL A 82 6.866 1.541 -4.990 1.00 0.00 C ATOM 1295 CG2 VAL A 82 9.348 1.469 -5.000 1.00 0.00 C ATOM 0 H VAL A 82 9.717 3.775 -3.169 1.00 0.00 H new ATOM 0 HA VAL A 82 8.214 3.841 -5.650 1.00 0.00 H new ATOM 0 HB VAL A 82 8.131 1.963 -3.286 1.00 0.00 H new ATOM 0 HG11 VAL A 82 6.857 0.463 -4.830 1.00 0.00 H new ATOM 0 HG12 VAL A 82 5.983 1.983 -4.529 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.860 1.749 -6.060 1.00 0.00 H new ATOM 0 HG21 VAL A 82 9.301 0.393 -4.833 1.00 0.00 H new ATOM 0 HG22 VAL A 82 9.355 1.670 -6.071 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.258 1.866 -4.550 1.00 0.00 H new ATOM 1305 N TRP A 83 6.805 4.685 -2.785 1.00 0.00 N ATOM 1306 CA TRP A 83 5.703 5.458 -2.206 1.00 0.00 C ATOM 1307 C TRP A 83 5.395 6.720 -3.020 1.00 0.00 C ATOM 1308 O TRP A 83 4.235 6.948 -3.358 1.00 0.00 O ATOM 1309 CB TRP A 83 6.039 5.822 -0.756 1.00 0.00 C ATOM 1310 CG TRP A 83 5.208 6.941 -0.216 1.00 0.00 C ATOM 1311 CD1 TRP A 83 5.626 8.214 -0.038 1.00 0.00 C ATOM 1312 CD2 TRP A 83 3.779 6.948 0.063 1.00 0.00 C ATOM 1313 NE1 TRP A 83 4.565 9.004 0.358 1.00 0.00 N ATOM 1314 CE2 TRP A 83 3.398 8.272 0.434 1.00 0.00 C ATOM 1315 CE3 TRP A 83 2.762 5.973 -0.008 1.00 0.00 C ATOM 1316 CZ2 TRP A 83 2.074 8.603 0.746 1.00 0.00 C ATOM 1317 CZ3 TRP A 83 1.423 6.306 0.264 1.00 0.00 C ATOM 1318 CH2 TRP A 83 1.087 7.614 0.650 1.00 0.00 C ATOM 0 H TRP A 83 7.531 4.451 -2.108 1.00 0.00 H new ATOM 0 HA TRP A 83 4.807 4.838 -2.229 1.00 0.00 H new ATOM 0 HB2 TRP A 83 5.902 4.942 -0.127 1.00 0.00 H new ATOM 0 HB3 TRP A 83 7.092 6.098 -0.693 1.00 0.00 H new ATOM 0 HD1 TRP A 83 6.638 8.561 -0.184 1.00 0.00 H new ATOM 0 HE1 TRP A 83 4.635 10.000 0.567 1.00 0.00 H new ATOM 0 HE3 TRP A 83 3.015 4.957 -0.275 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 1.818 9.605 1.056 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 0.652 5.555 0.176 1.00 0.00 H new ATOM 0 HH2 TRP A 83 0.059 7.859 0.875 1.00 0.00 H new ATOM 1329 N ALA A 84 6.420 7.477 -3.426 1.00 0.00 N ATOM 1330 CA ALA A 84 6.301 8.641 -4.311 1.00 0.00 C ATOM 1331 C ALA A 84 5.479 8.364 -5.589 1.00 0.00 C ATOM 1332 O ALA A 84 4.810 9.272 -6.082 1.00 0.00 O ATOM 1333 CB ALA A 84 7.720 9.112 -4.651 1.00 0.00 C ATOM 0 H ALA A 84 7.382 7.292 -3.140 1.00 0.00 H new ATOM 0 HA ALA A 84 5.746 9.420 -3.789 1.00 0.00 H new ATOM 0 HB1 ALA A 84 7.668 9.979 -5.310 1.00 0.00 H new ATOM 0 HB2 ALA A 84 8.243 9.384 -3.734 1.00 0.00 H new ATOM 0 HB3 ALA A 84 8.260 8.308 -5.151 1.00 0.00 H new ATOM 1339 N GLN A 85 5.492 7.127 -6.095 1.00 0.00 N ATOM 1340 CA GLN A 85 4.742 6.669 -7.272 1.00 0.00 C ATOM 1341 C GLN A 85 3.270 6.365 -6.948 1.00 0.00 C ATOM 1342 O GLN A 85 2.396 6.677 -7.751 1.00 0.00 O ATOM 1343 CB GLN A 85 5.441 5.439 -7.895 1.00 0.00 C ATOM 1344 CG GLN A 85 6.963 5.662 -7.960 1.00 0.00 C ATOM 1345 CD GLN A 85 7.721 4.713 -8.882 1.00 0.00 C ATOM 1346 OE1 GLN A 85 7.259 4.306 -9.939 1.00 0.00 O ATOM 1347 NE2 GLN A 85 8.931 4.339 -8.519 1.00 0.00 N ATOM 0 H GLN A 85 6.051 6.383 -5.677 1.00 0.00 H new ATOM 0 HA GLN A 85 4.736 7.482 -7.998 1.00 0.00 H new ATOM 0 HB2 GLN A 85 5.222 4.550 -7.303 1.00 0.00 H new ATOM 0 HB3 GLN A 85 5.050 5.259 -8.897 1.00 0.00 H new ATOM 0 HG2 GLN A 85 7.150 6.685 -8.285 1.00 0.00 H new ATOM 0 HG3 GLN A 85 7.371 5.568 -6.954 1.00 0.00 H new ATOM 0 HE21 GLN A 85 9.326 4.673 -7.640 1.00 0.00 H new ATOM 0 HE22 GLN A 85 9.473 3.716 -9.117 1.00 0.00 H new ATOM 1356 N LEU A 86 2.987 5.826 -5.754 1.00 0.00 N ATOM 1357 CA LEU A 86 1.620 5.641 -5.215 1.00 0.00 C ATOM 1358 C LEU A 86 0.927 6.999 -5.068 1.00 0.00 C ATOM 1359 O LEU A 86 -0.046 7.287 -5.768 1.00 0.00 O ATOM 1360 CB LEU A 86 1.702 4.913 -3.845 1.00 0.00 C ATOM 1361 CG LEU A 86 0.419 4.355 -3.193 1.00 0.00 C ATOM 1362 CD1 LEU A 86 -0.567 5.438 -2.758 1.00 0.00 C ATOM 1363 CD2 LEU A 86 -0.303 3.350 -4.085 1.00 0.00 C ATOM 0 H LEU A 86 3.713 5.497 -5.118 1.00 0.00 H new ATOM 0 HA LEU A 86 1.033 5.032 -5.903 1.00 0.00 H new ATOM 0 HB2 LEU A 86 2.396 4.081 -3.961 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.152 5.607 -3.135 1.00 0.00 H new ATOM 0 HG LEU A 86 0.775 3.845 -2.298 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.444 4.972 -2.309 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.090 6.093 -2.029 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.871 6.023 -3.626 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.198 2.990 -3.577 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -0.586 3.832 -5.021 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.358 2.509 -4.295 1.00 0.00 H new ATOM 1375 N LYS A 87 1.477 7.873 -4.214 1.00 0.00 N ATOM 1376 CA LYS A 87 0.912 9.198 -3.908 1.00 0.00 C ATOM 1377 C LYS A 87 0.766 10.102 -5.134 1.00 0.00 C ATOM 1378 O LYS A 87 -0.087 10.975 -5.144 1.00 0.00 O ATOM 1379 CB LYS A 87 1.694 9.927 -2.807 1.00 0.00 C ATOM 1380 CG LYS A 87 3.215 9.823 -2.947 1.00 0.00 C ATOM 1381 CD LYS A 87 3.981 11.072 -2.519 1.00 0.00 C ATOM 1382 CE LYS A 87 3.976 12.182 -3.576 1.00 0.00 C ATOM 1383 NZ LYS A 87 4.753 11.865 -4.807 1.00 0.00 N ATOM 0 H LYS A 87 2.341 7.678 -3.707 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.093 8.989 -3.541 1.00 0.00 H new ATOM 0 HB2 LYS A 87 1.411 10.980 -2.811 1.00 0.00 H new ATOM 0 HB3 LYS A 87 1.400 9.522 -1.839 1.00 0.00 H new ATOM 0 HG2 LYS A 87 3.564 8.978 -2.354 1.00 0.00 H new ATOM 0 HG3 LYS A 87 3.457 9.604 -3.987 1.00 0.00 H new ATOM 0 HD2 LYS A 87 3.547 11.457 -1.597 1.00 0.00 H new ATOM 0 HD3 LYS A 87 5.012 10.798 -2.296 1.00 0.00 H new ATOM 0 HE2 LYS A 87 2.944 12.394 -3.857 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.379 13.092 -3.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 4.486 12.524 -5.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 5.770 11.958 -4.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 4.546 10.891 -5.107 1.00 0.00 H new ATOM 1397 N ALA A 88 1.587 9.924 -6.166 1.00 0.00 N ATOM 1398 CA ALA A 88 1.529 10.745 -7.380 1.00 0.00 C ATOM 1399 C ALA A 88 0.209 10.576 -8.152 1.00 0.00 C ATOM 1400 O ALA A 88 -0.432 11.568 -8.501 1.00 0.00 O ATOM 1401 CB ALA A 88 2.718 10.404 -8.276 1.00 0.00 C ATOM 0 H ALA A 88 2.313 9.207 -6.188 1.00 0.00 H new ATOM 0 HA ALA A 88 1.576 11.790 -7.075 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.679 11.012 -9.180 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.646 10.607 -7.742 1.00 0.00 H new ATOM 0 HB3 ALA A 88 2.679 9.349 -8.547 1.00 0.00 H new ATOM 1407 N LYS A 89 -0.216 9.329 -8.401 1.00 0.00 N ATOM 1408 CA LYS A 89 -1.521 9.023 -9.018 1.00 0.00 C ATOM 1409 C LYS A 89 -2.683 9.072 -8.023 1.00 0.00 C ATOM 1410 O LYS A 89 -3.783 9.483 -8.393 1.00 0.00 O ATOM 1411 CB LYS A 89 -1.481 7.687 -9.785 1.00 0.00 C ATOM 1412 CG LYS A 89 -0.767 6.543 -9.049 1.00 0.00 C ATOM 1413 CD LYS A 89 -0.940 5.144 -9.663 1.00 0.00 C ATOM 1414 CE LYS A 89 -0.140 4.913 -10.957 1.00 0.00 C ATOM 1415 NZ LYS A 89 -0.838 5.410 -12.175 1.00 0.00 N ATOM 0 H LYS A 89 0.335 8.500 -8.181 1.00 0.00 H new ATOM 0 HA LYS A 89 -1.712 9.817 -9.740 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -2.503 7.378 -10.002 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -0.986 7.849 -10.743 1.00 0.00 H new ATOM 0 HG2 LYS A 89 0.298 6.772 -9.007 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -1.128 6.516 -8.021 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -0.640 4.398 -8.927 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -1.997 4.980 -9.870 1.00 0.00 H new ATOM 0 HE2 LYS A 89 0.827 5.409 -10.872 1.00 0.00 H new ATOM 0 HE3 LYS A 89 0.058 3.847 -11.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -0.539 4.850 -12.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -1.866 5.318 -12.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -0.597 6.410 -12.330 1.00 0.00 H new ATOM 1429 N TYR A 90 -2.451 8.670 -6.772 1.00 0.00 N ATOM 1430 CA TYR A 90 -3.494 8.611 -5.736 1.00 0.00 C ATOM 1431 C TYR A 90 -3.780 9.982 -5.099 1.00 0.00 C ATOM 1432 O TYR A 90 -4.852 10.172 -4.526 1.00 0.00 O ATOM 1433 CB TYR A 90 -3.123 7.571 -4.662 1.00 0.00 C ATOM 1434 CG TYR A 90 -3.370 6.110 -5.027 1.00 0.00 C ATOM 1435 CD1 TYR A 90 -3.306 5.641 -6.356 1.00 0.00 C ATOM 1436 CD2 TYR A 90 -3.623 5.194 -3.990 1.00 0.00 C ATOM 1437 CE1 TYR A 90 -3.459 4.274 -6.648 1.00 0.00 C ATOM 1438 CE2 TYR A 90 -3.764 3.821 -4.275 1.00 0.00 C ATOM 1439 CZ TYR A 90 -3.684 3.357 -5.603 1.00 0.00 C ATOM 1440 OH TYR A 90 -3.819 2.032 -5.877 1.00 0.00 O ATOM 0 H TYR A 90 -1.532 8.374 -6.444 1.00 0.00 H new ATOM 0 HA TYR A 90 -4.416 8.302 -6.228 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -2.067 7.690 -4.420 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -3.685 7.798 -3.756 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -3.137 6.342 -7.160 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -3.709 5.544 -2.972 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -3.404 3.929 -7.670 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -3.934 3.120 -3.471 1.00 0.00 H new ATOM 0 HH TYR A 90 -3.496 1.506 -5.116 1.00 0.00 H new ATOM 1450 N ASP A 91 -2.853 10.939 -5.211 1.00 0.00 N ATOM 1451 CA ASP A 91 -2.968 12.290 -4.647 1.00 0.00 C ATOM 1452 C ASP A 91 -2.089 13.334 -5.388 1.00 0.00 C ATOM 1453 O ASP A 91 -1.133 13.878 -4.819 1.00 0.00 O ATOM 1454 CB ASP A 91 -2.654 12.273 -3.142 1.00 0.00 C ATOM 1455 CG ASP A 91 -3.079 13.600 -2.470 1.00 0.00 C ATOM 1456 OD1 ASP A 91 -3.713 14.468 -3.120 1.00 0.00 O ATOM 1457 OD2 ASP A 91 -2.737 13.799 -1.283 1.00 0.00 O ATOM 0 H ASP A 91 -1.976 10.792 -5.711 1.00 0.00 H new ATOM 0 HA ASP A 91 -4.002 12.605 -4.790 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.173 11.439 -2.668 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -1.587 12.111 -2.992 1.00 0.00 H new ATOM 1462 N PRO A 92 -2.384 13.639 -6.668 1.00 0.00 N ATOM 1463 CA PRO A 92 -1.599 14.575 -7.486 1.00 0.00 C ATOM 1464 C PRO A 92 -1.549 16.023 -6.955 1.00 0.00 C ATOM 1465 O PRO A 92 -0.723 16.813 -7.418 1.00 0.00 O ATOM 1466 CB PRO A 92 -2.223 14.513 -8.887 1.00 0.00 C ATOM 1467 CG PRO A 92 -3.656 14.063 -8.612 1.00 0.00 C ATOM 1468 CD PRO A 92 -3.489 13.100 -7.443 1.00 0.00 C ATOM 0 HA PRO A 92 -0.552 14.274 -7.472 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -2.194 15.483 -9.384 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -1.697 13.809 -9.531 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -4.301 14.903 -8.355 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -4.100 13.574 -9.479 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -4.399 13.042 -6.846 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -3.272 12.090 -7.791 1.00 0.00 H new ATOM 1476 N ASP A 93 -2.390 16.383 -5.978 1.00 0.00 N ATOM 1477 CA ASP A 93 -2.413 17.700 -5.324 1.00 0.00 C ATOM 1478 C ASP A 93 -1.708 17.718 -3.949 1.00 0.00 C ATOM 1479 O ASP A 93 -1.468 18.794 -3.395 1.00 0.00 O ATOM 1480 CB ASP A 93 -3.872 18.161 -5.183 1.00 0.00 C ATOM 1481 CG ASP A 93 -4.519 18.464 -6.544 1.00 0.00 C ATOM 1482 OD1 ASP A 93 -4.174 19.502 -7.160 1.00 0.00 O ATOM 1483 OD2 ASP A 93 -5.391 17.683 -6.996 1.00 0.00 O ATOM 0 H ASP A 93 -3.096 15.747 -5.608 1.00 0.00 H new ATOM 0 HA ASP A 93 -1.851 18.387 -5.956 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -4.448 17.389 -4.673 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -3.911 19.053 -4.558 1.00 0.00 H new ATOM 1488 N GLY A 94 -1.348 16.553 -3.393 1.00 0.00 N ATOM 1489 CA GLY A 94 -0.717 16.429 -2.068 1.00 0.00 C ATOM 1490 C GLY A 94 -1.641 16.730 -0.875 1.00 0.00 C ATOM 1491 O GLY A 94 -1.154 16.894 0.244 1.00 0.00 O ATOM 0 H GLY A 94 -1.488 15.655 -3.857 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -0.329 15.416 -1.961 1.00 0.00 H new ATOM 0 HA3 GLY A 94 0.138 17.104 -2.025 1.00 0.00 H new ATOM 1495 N THR A 95 -2.953 16.848 -1.096 1.00 0.00 N ATOM 1496 CA THR A 95 -3.942 17.360 -0.127 1.00 0.00 C ATOM 1497 C THR A 95 -4.072 16.505 1.141 1.00 0.00 C ATOM 1498 O THR A 95 -4.345 17.050 2.214 1.00 0.00 O ATOM 1499 CB THR A 95 -5.319 17.508 -0.803 1.00 0.00 C ATOM 1500 OG1 THR A 95 -5.189 18.259 -1.994 1.00 0.00 O ATOM 1501 CG2 THR A 95 -6.346 18.247 0.058 1.00 0.00 C ATOM 0 H THR A 95 -3.377 16.582 -1.985 1.00 0.00 H new ATOM 0 HA THR A 95 -3.571 18.332 0.197 1.00 0.00 H new ATOM 0 HB THR A 95 -5.668 16.490 -0.979 1.00 0.00 H new ATOM 0 HG1 THR A 95 -6.066 18.349 -2.421 1.00 0.00 H new ATOM 0 HG21 THR A 95 -7.291 18.314 -0.481 1.00 0.00 H new ATOM 0 HG22 THR A 95 -6.498 17.703 0.991 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.982 19.250 0.278 1.00 0.00 H new ATOM 1509 N TYR A 96 -3.838 15.190 1.058 1.00 0.00 N ATOM 1510 CA TYR A 96 -3.964 14.255 2.190 1.00 0.00 C ATOM 1511 C TYR A 96 -2.776 13.294 2.336 1.00 0.00 C ATOM 1512 O TYR A 96 -2.450 12.925 3.459 1.00 0.00 O ATOM 1513 CB TYR A 96 -5.304 13.503 2.136 1.00 0.00 C ATOM 1514 CG TYR A 96 -5.773 13.169 0.739 1.00 0.00 C ATOM 1515 CD1 TYR A 96 -5.221 12.075 0.052 1.00 0.00 C ATOM 1516 CD2 TYR A 96 -6.701 14.015 0.102 1.00 0.00 C ATOM 1517 CE1 TYR A 96 -5.595 11.829 -1.279 1.00 0.00 C ATOM 1518 CE2 TYR A 96 -7.067 13.775 -1.233 1.00 0.00 C ATOM 1519 CZ TYR A 96 -6.518 12.677 -1.931 1.00 0.00 C ATOM 1520 OH TYR A 96 -6.876 12.438 -3.222 1.00 0.00 O ATOM 0 H TYR A 96 -3.551 14.736 0.191 1.00 0.00 H new ATOM 0 HA TYR A 96 -3.949 14.867 3.092 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -5.212 12.579 2.707 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -6.066 14.107 2.628 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -4.512 11.426 0.545 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -7.131 14.847 0.639 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -5.174 10.986 -1.808 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -7.769 14.431 -1.726 1.00 0.00 H new ATOM 0 HH TYR A 96 -6.286 11.756 -3.604 1.00 0.00 H new ATOM 1530 N SER A 97 -2.056 12.969 1.259 1.00 0.00 N ATOM 1531 CA SER A 97 -0.784 12.225 1.286 1.00 0.00 C ATOM 1532 C SER A 97 0.243 12.883 2.218 1.00 0.00 C ATOM 1533 O SER A 97 0.919 12.230 3.020 1.00 0.00 O ATOM 1534 CB SER A 97 -0.235 12.158 -0.147 1.00 0.00 C ATOM 1535 OG SER A 97 1.117 11.740 -0.188 1.00 0.00 O ATOM 0 H SER A 97 -2.346 13.221 0.314 1.00 0.00 H new ATOM 0 HA SER A 97 -0.968 11.223 1.673 1.00 0.00 H new ATOM 0 HB2 SER A 97 -0.843 11.470 -0.734 1.00 0.00 H new ATOM 0 HB3 SER A 97 -0.323 13.139 -0.613 1.00 0.00 H new ATOM 0 HG SER A 97 1.560 12.142 -0.964 1.00 0.00 H new ATOM 1541 N LYS A 98 0.338 14.215 2.139 1.00 0.00 N ATOM 1542 CA LYS A 98 1.345 15.008 2.850 1.00 0.00 C ATOM 1543 C LYS A 98 1.171 15.016 4.376 1.00 0.00 C ATOM 1544 O LYS A 98 2.151 15.209 5.089 1.00 0.00 O ATOM 1545 CB LYS A 98 1.414 16.398 2.203 1.00 0.00 C ATOM 1546 CG LYS A 98 2.762 17.100 2.439 1.00 0.00 C ATOM 1547 CD LYS A 98 3.010 18.193 1.386 1.00 0.00 C ATOM 1548 CE LYS A 98 3.353 17.667 -0.020 1.00 0.00 C ATOM 1549 NZ LYS A 98 4.669 16.975 -0.081 1.00 0.00 N ATOM 0 H LYS A 98 -0.293 14.780 1.570 1.00 0.00 H new ATOM 0 HA LYS A 98 2.319 14.531 2.738 1.00 0.00 H new ATOM 0 HB2 LYS A 98 1.242 16.303 1.131 1.00 0.00 H new ATOM 0 HB3 LYS A 98 0.612 17.019 2.601 1.00 0.00 H new ATOM 0 HG2 LYS A 98 2.776 17.541 3.436 1.00 0.00 H new ATOM 0 HG3 LYS A 98 3.568 16.367 2.404 1.00 0.00 H new ATOM 0 HD2 LYS A 98 2.121 18.820 1.317 1.00 0.00 H new ATOM 0 HD3 LYS A 98 3.825 18.831 1.729 1.00 0.00 H new ATOM 0 HE2 LYS A 98 2.572 16.979 -0.344 1.00 0.00 H new ATOM 0 HE3 LYS A 98 3.355 18.500 -0.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 5.087 17.107 -1.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 5.305 17.374 0.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 4.536 15.959 0.100 1.00 0.00 H new ATOM 1563 N LYS A 99 -0.040 14.726 4.883 1.00 0.00 N ATOM 1564 CA LYS A 99 -0.377 14.610 6.319 1.00 0.00 C ATOM 1565 C LYS A 99 0.521 13.638 7.102 1.00 0.00 C ATOM 1566 O LYS A 99 0.729 13.845 8.297 1.00 0.00 O ATOM 1567 CB LYS A 99 -1.853 14.183 6.474 1.00 0.00 C ATOM 1568 CG LYS A 99 -2.910 15.144 5.890 1.00 0.00 C ATOM 1569 CD LYS A 99 -3.448 16.176 6.893 1.00 0.00 C ATOM 1570 CE LYS A 99 -2.393 17.138 7.451 1.00 0.00 C ATOM 1571 NZ LYS A 99 -1.936 18.129 6.439 1.00 0.00 N ATOM 0 H LYS A 99 -0.846 14.558 4.281 1.00 0.00 H new ATOM 0 HA LYS A 99 -0.206 15.597 6.748 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -1.978 13.209 6.001 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -2.061 14.051 7.536 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -2.475 15.672 5.041 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -3.745 14.558 5.507 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -4.231 16.759 6.409 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -3.913 15.646 7.724 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -2.805 17.665 8.311 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -1.536 16.566 7.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -1.224 18.756 6.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -1.518 17.630 5.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -2.747 18.695 6.116 1.00 0.00 H new ATOM 1585 N TYR A 100 1.068 12.617 6.439 1.00 0.00 N ATOM 1586 CA TYR A 100 1.938 11.592 7.032 1.00 0.00 C ATOM 1587 C TYR A 100 3.267 11.413 6.280 1.00 0.00 C ATOM 1588 O TYR A 100 4.239 10.970 6.889 1.00 0.00 O ATOM 1589 CB TYR A 100 1.170 10.270 7.197 1.00 0.00 C ATOM 1590 CG TYR A 100 0.261 9.950 6.033 1.00 0.00 C ATOM 1591 CD1 TYR A 100 -1.038 10.491 6.009 1.00 0.00 C ATOM 1592 CD2 TYR A 100 0.731 9.199 4.942 1.00 0.00 C ATOM 1593 CE1 TYR A 100 -1.857 10.308 4.886 1.00 0.00 C ATOM 1594 CE2 TYR A 100 -0.081 9.031 3.813 1.00 0.00 C ATOM 1595 CZ TYR A 100 -1.379 9.585 3.773 1.00 0.00 C ATOM 1596 OH TYR A 100 -2.184 9.362 2.698 1.00 0.00 O ATOM 0 H TYR A 100 0.914 12.474 5.441 1.00 0.00 H new ATOM 0 HA TYR A 100 2.225 11.944 8.023 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.885 9.457 7.323 1.00 0.00 H new ATOM 0 HB3 TYR A 100 0.576 10.316 8.110 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -1.405 11.049 6.858 1.00 0.00 H new ATOM 0 HD2 TYR A 100 1.714 8.753 4.974 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -2.855 10.721 4.873 1.00 0.00 H new ATOM 0 HE2 TYR A 100 0.289 8.473 2.966 1.00 0.00 H new ATOM 0 HH TYR A 100 -1.693 8.849 2.022 1.00 0.00 H new ATOM 1606 N GLU A 101 3.374 11.833 5.012 1.00 0.00 N ATOM 1607 CA GLU A 101 4.679 12.012 4.352 1.00 0.00 C ATOM 1608 C GLU A 101 5.577 13.017 5.100 1.00 0.00 C ATOM 1609 O GLU A 101 6.778 12.779 5.249 1.00 0.00 O ATOM 1610 CB GLU A 101 4.469 12.466 2.902 1.00 0.00 C ATOM 1611 CG GLU A 101 5.773 12.553 2.099 1.00 0.00 C ATOM 1612 CD GLU A 101 5.521 13.177 0.718 1.00 0.00 C ATOM 1613 OE1 GLU A 101 5.119 14.365 0.655 1.00 0.00 O ATOM 1614 OE2 GLU A 101 5.740 12.483 -0.300 1.00 0.00 O ATOM 0 H GLU A 101 2.573 12.056 4.421 1.00 0.00 H new ATOM 0 HA GLU A 101 5.191 11.050 4.366 1.00 0.00 H new ATOM 0 HB2 GLU A 101 3.790 11.772 2.406 1.00 0.00 H new ATOM 0 HB3 GLU A 101 3.984 13.442 2.901 1.00 0.00 H new ATOM 0 HG2 GLU A 101 6.503 13.150 2.645 1.00 0.00 H new ATOM 0 HG3 GLU A 101 6.200 11.557 1.981 1.00 0.00 H new ATOM 1621 N ASP A 102 4.996 14.104 5.628 1.00 0.00 N ATOM 1622 CA ASP A 102 5.694 15.160 6.381 1.00 0.00 C ATOM 1623 C ASP A 102 6.491 14.638 7.597 1.00 0.00 C ATOM 1624 O ASP A 102 7.468 15.264 8.016 1.00 0.00 O ATOM 1625 CB ASP A 102 4.675 16.229 6.802 1.00 0.00 C ATOM 1626 CG ASP A 102 5.328 17.424 7.518 1.00 0.00 C ATOM 1627 OD1 ASP A 102 6.022 18.225 6.847 1.00 0.00 O ATOM 1628 OD2 ASP A 102 5.115 17.589 8.744 1.00 0.00 O ATOM 0 H ASP A 102 3.995 14.279 5.541 1.00 0.00 H new ATOM 0 HA ASP A 102 6.443 15.593 5.718 1.00 0.00 H new ATOM 0 HB2 ASP A 102 4.144 16.586 5.920 1.00 0.00 H new ATOM 0 HB3 ASP A 102 3.933 15.778 7.460 1.00 0.00 H new ATOM 1633 N ARG A 103 6.104 13.475 8.142 1.00 0.00 N ATOM 1634 CA ARG A 103 6.813 12.778 9.228 1.00 0.00 C ATOM 1635 C ARG A 103 8.253 12.392 8.869 1.00 0.00 C ATOM 1636 O ARG A 103 9.106 12.368 9.756 1.00 0.00 O ATOM 1637 CB ARG A 103 5.994 11.542 9.637 1.00 0.00 C ATOM 1638 CG ARG A 103 6.460 10.930 10.965 1.00 0.00 C ATOM 1639 CD ARG A 103 5.414 9.953 11.512 1.00 0.00 C ATOM 1640 NE ARG A 103 5.886 9.302 12.751 1.00 0.00 N ATOM 1641 CZ ARG A 103 5.187 9.032 13.842 1.00 0.00 C ATOM 1642 NH1 ARG A 103 3.930 9.354 13.970 1.00 0.00 N ATOM 1643 NH2 ARG A 103 5.749 8.419 14.843 1.00 0.00 N ATOM 0 H ARG A 103 5.268 12.980 7.832 1.00 0.00 H new ATOM 0 HA ARG A 103 6.902 13.469 10.066 1.00 0.00 H new ATOM 0 HB2 ARG A 103 4.943 11.820 9.720 1.00 0.00 H new ATOM 0 HB3 ARG A 103 6.064 10.790 8.851 1.00 0.00 H new ATOM 0 HG2 ARG A 103 7.407 10.411 10.819 1.00 0.00 H new ATOM 0 HG3 ARG A 103 6.640 11.722 11.692 1.00 0.00 H new ATOM 0 HD2 ARG A 103 4.484 10.486 11.710 1.00 0.00 H new ATOM 0 HD3 ARG A 103 5.194 9.194 10.761 1.00 0.00 H new ATOM 0 HE ARG A 103 6.868 9.028 12.768 1.00 0.00 H new ATOM 0 HH11 ARG A 103 3.447 9.834 13.211 1.00 0.00 H new ATOM 0 HH12 ARG A 103 3.430 9.126 14.829 1.00 0.00 H new ATOM 0 HH21 ARG A 103 6.730 8.146 14.788 1.00 0.00 H new ATOM 0 HH22 ARG A 103 5.208 8.212 15.683 1.00 0.00 H new ATOM 1657 N GLU A 104 8.536 12.118 7.591 1.00 0.00 N ATOM 1658 CA GLU A 104 9.834 11.583 7.143 1.00 0.00 C ATOM 1659 C GLU A 104 10.472 12.346 5.968 1.00 0.00 C ATOM 1660 O GLU A 104 11.684 12.577 5.980 1.00 0.00 O ATOM 1661 CB GLU A 104 9.679 10.115 6.724 1.00 0.00 C ATOM 1662 CG GLU A 104 9.227 9.179 7.846 1.00 0.00 C ATOM 1663 CD GLU A 104 10.167 9.171 9.076 1.00 0.00 C ATOM 1664 OE1 GLU A 104 11.411 9.233 8.914 1.00 0.00 O ATOM 1665 OE2 GLU A 104 9.661 9.100 10.223 1.00 0.00 O ATOM 0 H GLU A 104 7.870 12.261 6.832 1.00 0.00 H new ATOM 0 HA GLU A 104 10.498 11.698 8.000 1.00 0.00 H new ATOM 0 HB2 GLU A 104 8.959 10.057 5.908 1.00 0.00 H new ATOM 0 HB3 GLU A 104 10.632 9.759 6.333 1.00 0.00 H new ATOM 0 HG2 GLU A 104 8.227 9.470 8.168 1.00 0.00 H new ATOM 0 HG3 GLU A 104 9.152 8.165 7.452 1.00 0.00 H new ATOM 1672 N LYS A 105 9.670 12.744 4.967 1.00 0.00 N ATOM 1673 CA LYS A 105 10.082 13.427 3.719 1.00 0.00 C ATOM 1674 C LYS A 105 11.354 12.860 3.050 1.00 0.00 C ATOM 1675 O LYS A 105 12.199 13.603 2.551 1.00 0.00 O ATOM 1676 CB LYS A 105 10.173 14.942 3.972 1.00 0.00 C ATOM 1677 CG LYS A 105 8.821 15.586 4.314 1.00 0.00 C ATOM 1678 CD LYS A 105 8.906 17.118 4.426 1.00 0.00 C ATOM 1679 CE LYS A 105 9.232 17.789 3.081 1.00 0.00 C ATOM 1680 NZ LYS A 105 9.291 19.270 3.205 1.00 0.00 N ATOM 0 H LYS A 105 8.662 12.592 5.004 1.00 0.00 H new ATOM 0 HA LYS A 105 9.305 13.226 2.981 1.00 0.00 H new ATOM 0 HB2 LYS A 105 10.871 15.125 4.789 1.00 0.00 H new ATOM 0 HB3 LYS A 105 10.584 15.427 3.086 1.00 0.00 H new ATOM 0 HG2 LYS A 105 8.093 15.321 3.547 1.00 0.00 H new ATOM 0 HG3 LYS A 105 8.456 15.176 5.256 1.00 0.00 H new ATOM 0 HD2 LYS A 105 7.959 17.505 4.801 1.00 0.00 H new ATOM 0 HD3 LYS A 105 9.671 17.384 5.156 1.00 0.00 H new ATOM 0 HE2 LYS A 105 10.187 17.417 2.711 1.00 0.00 H new ATOM 0 HE3 LYS A 105 8.476 17.515 2.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 9.513 19.687 2.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 8.372 19.628 3.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 10.030 19.532 3.889 1.00 0.00 H new ATOM 1694 N GLU A 106 11.501 11.533 3.026 1.00 0.00 N ATOM 1695 CA GLU A 106 12.650 10.853 2.397 1.00 0.00 C ATOM 1696 C GLU A 106 12.652 10.908 0.853 1.00 0.00 C ATOM 1697 O GLU A 106 13.666 10.583 0.230 1.00 0.00 O ATOM 1698 CB GLU A 106 12.742 9.405 2.901 1.00 0.00 C ATOM 1699 CG GLU A 106 13.252 9.353 4.346 1.00 0.00 C ATOM 1700 CD GLU A 106 13.414 7.898 4.823 1.00 0.00 C ATOM 1701 OE1 GLU A 106 12.435 7.322 5.352 1.00 0.00 O ATOM 1702 OE2 GLU A 106 14.524 7.331 4.676 1.00 0.00 O ATOM 0 H GLU A 106 10.826 10.892 3.443 1.00 0.00 H new ATOM 0 HA GLU A 106 13.539 11.406 2.701 1.00 0.00 H new ATOM 0 HB2 GLU A 106 11.761 8.933 2.841 1.00 0.00 H new ATOM 0 HB3 GLU A 106 13.410 8.834 2.256 1.00 0.00 H new ATOM 0 HG2 GLU A 106 14.208 9.871 4.416 1.00 0.00 H new ATOM 0 HG3 GLU A 106 12.556 9.878 5.000 1.00 0.00 H new ATOM 1709 N LEU A 107 11.560 11.354 0.220 1.00 0.00 N ATOM 1710 CA LEU A 107 11.500 11.746 -1.190 1.00 0.00 C ATOM 1711 C LEU A 107 12.529 12.861 -1.487 1.00 0.00 C ATOM 1712 O LEU A 107 12.410 13.974 -0.969 1.00 0.00 O ATOM 1713 CB LEU A 107 10.042 12.167 -1.483 1.00 0.00 C ATOM 1714 CG LEU A 107 9.661 12.206 -2.972 1.00 0.00 C ATOM 1715 CD1 LEU A 107 8.149 12.398 -3.110 1.00 0.00 C ATOM 1716 CD2 LEU A 107 10.331 13.328 -3.767 1.00 0.00 C ATOM 0 H LEU A 107 10.663 11.455 0.694 1.00 0.00 H new ATOM 0 HA LEU A 107 11.769 10.921 -1.850 1.00 0.00 H new ATOM 0 HB2 LEU A 107 9.371 11.478 -0.970 1.00 0.00 H new ATOM 0 HB3 LEU A 107 9.872 13.155 -1.055 1.00 0.00 H new ATOM 0 HG LEU A 107 10.005 11.256 -3.381 1.00 0.00 H new ATOM 0 HD11 LEU A 107 7.881 12.425 -4.166 1.00 0.00 H new ATOM 0 HD12 LEU A 107 7.631 11.570 -2.625 1.00 0.00 H new ATOM 0 HD13 LEU A 107 7.857 13.335 -2.637 1.00 0.00 H new ATOM 0 HD21 LEU A 107 10.006 13.281 -4.807 1.00 0.00 H new ATOM 0 HD22 LEU A 107 10.051 14.292 -3.342 1.00 0.00 H new ATOM 0 HD23 LEU A 107 11.414 13.211 -3.719 1.00 0.00 H new ATOM 1728 N HIS A 108 13.540 12.559 -2.315 1.00 0.00 N ATOM 1729 CA HIS A 108 14.698 13.441 -2.581 1.00 0.00 C ATOM 1730 C HIS A 108 15.152 13.492 -4.057 1.00 0.00 C ATOM 1731 O HIS A 108 16.247 13.983 -4.348 1.00 0.00 O ATOM 1732 CB HIS A 108 15.848 13.043 -1.633 1.00 0.00 C ATOM 1733 CG HIS A 108 16.420 11.670 -1.894 1.00 0.00 C ATOM 1734 ND1 HIS A 108 15.982 10.484 -1.332 1.00 0.00 N ATOM 1735 CD2 HIS A 108 17.469 11.373 -2.721 1.00 0.00 C ATOM 1736 CE1 HIS A 108 16.747 9.483 -1.810 1.00 0.00 C ATOM 1737 NE2 HIS A 108 17.659 10.002 -2.658 1.00 0.00 N ATOM 0 H HIS A 108 13.581 11.680 -2.831 1.00 0.00 H new ATOM 0 HA HIS A 108 14.378 14.464 -2.381 1.00 0.00 H new ATOM 0 HB2 HIS A 108 16.647 13.779 -1.720 1.00 0.00 H new ATOM 0 HB3 HIS A 108 15.487 13.084 -0.605 1.00 0.00 H new ATOM 0 HD1 HIS A 108 15.213 10.385 -0.670 1.00 0.00 H new ATOM 0 HD2 HIS A 108 18.040 12.074 -3.311 1.00 0.00 H new ATOM 0 HE1 HIS A 108 16.647 8.438 -1.556 1.00 0.00 H new ATOM 1746 N GLN A 109 14.330 12.989 -4.988 1.00 0.00 N ATOM 1747 CA GLN A 109 14.598 12.920 -6.437 1.00 0.00 C ATOM 1748 C GLN A 109 13.315 13.156 -7.254 1.00 0.00 C ATOM 1749 O GLN A 109 12.305 12.458 -7.007 1.00 0.00 O ATOM 1750 CB GLN A 109 15.252 11.562 -6.758 1.00 0.00 C ATOM 1751 CG GLN A 109 15.736 11.479 -8.216 1.00 0.00 C ATOM 1752 CD GLN A 109 16.410 10.138 -8.525 1.00 0.00 C ATOM 1753 OE1 GLN A 109 15.801 9.199 -9.027 1.00 0.00 O ATOM 1754 NE2 GLN A 109 17.689 9.984 -8.241 1.00 0.00 N ATOM 1755 OXT GLN A 109 13.324 14.059 -8.121 1.00 0.00 O ATOM 0 H GLN A 109 13.419 12.601 -4.744 1.00 0.00 H new ATOM 0 HA GLN A 109 15.288 13.715 -6.721 1.00 0.00 H new ATOM 0 HB2 GLN A 109 16.096 11.400 -6.087 1.00 0.00 H new ATOM 0 HB3 GLN A 109 14.536 10.762 -6.569 1.00 0.00 H new ATOM 0 HG2 GLN A 109 14.889 11.622 -8.887 1.00 0.00 H new ATOM 0 HG3 GLN A 109 16.437 12.290 -8.411 1.00 0.00 H new ATOM 0 HE21 GLN A 109 18.215 10.752 -7.823 1.00 0.00 H new ATOM 0 HE22 GLN A 109 18.152 9.097 -8.439 1.00 0.00 H new TER 1764 GLN A 109