USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 788 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 57 CYS SG : rot 159:sc= -2.42! USER MOD Set 1.2: A 60 CYS SG : rot -63:sc= 0.488 USER MOD Set 1.3: A 77 HIS : no HE2:sc= 0.135 X(o=-2.4,f=-2.7) USER MOD Set 1.4: A 86 HIS : no HD1:sc= -0.626 K(o=-2.4,f=-5.3!) USER MOD Set 2.1: A 53 SER OG : rot 180:sc= 0.63 USER MOD Set 2.2: A 68 ASN : amide:sc= 0.0856 X(o=0.72,f=0.61!) USER MOD Set 3.1: A 31 CYS SG : rot -177:sc= -5.13! USER MOD Set 3.2: A 34 CYS SG : rot 26:sc= 0.584 USER MOD Set 3.3: A 65 CYS SG : rot -141:sc= 0.969 USER MOD Set 3.4: A 69 SER OG : rot -58:sc= 1.53 USER MOD Set 3.5: A 73 HIS : no HD1:sc= -0.0548 K(o=-2.1,f=-3) USER MOD Set 4.1: A 16 GLN : amide:sc= 0.206 K(o=-5.1,f=-3) USER MOD Set 4.2: A 113 GLN : amide:sc= -5.26! K(o=-5.1!,f=-3) USER MOD Set 5.1: A 7 CYS SG : rot 26:sc= -0.331 USER MOD Set 5.2: A 9 HIS : no HD1:sc= -1.05 X(o=-2.2,f=-1.9) USER MOD Set 5.3: A 12 LYS NZ :NH3+ 163:sc= -0.299 (180deg=0) USER MOD Set 5.4: A 99 CYS SG : rot -140:sc= -0.853 USER MOD Set 5.5: A 102 CYS SG : rot 123:sc= 0.379 USER MOD Single : A 18 ASN : amide:sc= -1.58 K(o=-1.6,f=-5.8!) USER MOD Single : A 20 LYS NZ :NH3+ 166:sc= 1.26 (180deg=1.08) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0.189 X(o=0.19,f=0) USER MOD Single : A 29 ASN : amide:sc= -0.853 K(o=-0.85,f=-0.053) USER MOD Single : A 32 GLN : amide:sc= 1.13 K(o=1.1,f=-1) USER MOD Single : A 35 LYS NZ :NH3+ -124:sc= 1.23 (180deg=0.165) USER MOD Single : A 59 LYS NZ :NH3+ -179:sc= 2.11 (180deg=2.04) USER MOD Single : A 62 HIS : no HE2:sc= -0.326 K(o=-0.33,f=-2.6!) USER MOD Single : A 63 GLN : amide:sc= -0.499! C(o=-0.5!,f=-16!) USER MOD Single : A 70 GLN : amide:sc= -0.662 K(o=-0.66,f=-0.059) USER MOD Single : A 72 GLN : amide:sc= -9.4! C(o=-9.4!,f=-9.1!) USER MOD Single : A 76 LYS NZ :NH3+ 158:sc= 1.3 (180deg=1.1) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 23:sc= 0.881 USER MOD Single : A 83 SER OG : rot 111:sc= 1.26 USER MOD Single : A 87 CYS SG : rot -160:sc= -1.33 USER MOD Single : A 91 SER OG : rot 2:sc= 0.885! USER MOD Single : A 94 ASN : amide:sc=-0.00198 K(o=-0.002,f=-1.7) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 120:sc= 0 USER MOD Single : A 104 ASN : amide:sc= -6.61! C(o=-6.6!,f=-6.2!) USER MOD Single : A 107 GLN : amide:sc= -1.5 K(o=-1.5,f=-2.2) USER MOD Single : A 108 TYR OH : rot -26:sc= -0.0172 USER MOD Single : A 112 ASN : amide:sc= 0.795 K(o=0.79,f=-5.9!) USER MOD Single : A 116 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 120 TYR OH : rot 15:sc= -3.59! USER MOD Single : A 123 LYS NZ :NH3+ -159:sc= -2.17! (180deg=-2.94!) USER MOD Single : A 124 GLN : amide:sc= 0.401 K(o=0.4,f=-0.75) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N CYS A 7 4.339 -17.686 -3.981 1.00 0.00 N ATOM 32 CA CYS A 7 3.846 -17.168 -2.775 1.00 0.00 C ATOM 33 C CYS A 7 2.669 -18.039 -2.402 1.00 0.00 C ATOM 34 O CYS A 7 1.801 -18.276 -3.212 1.00 0.00 O ATOM 35 CB CYS A 7 3.385 -15.728 -2.951 1.00 0.00 C ATOM 36 SG CYS A 7 2.785 -14.939 -1.437 1.00 0.00 S ATOM 0 HA CYS A 7 4.617 -17.168 -2.005 1.00 0.00 H new ATOM 0 HB2 CYS A 7 4.213 -15.141 -3.347 1.00 0.00 H new ATOM 0 HB3 CYS A 7 2.591 -15.703 -3.697 1.00 0.00 H new ATOM 0 HG CYS A 7 3.344 -15.498 -0.405 1.00 0.00 H new ATOM 41 N ARG A 8 2.665 -18.550 -1.221 1.00 0.00 N ATOM 42 CA ARG A 8 1.586 -19.378 -0.786 1.00 0.00 C ATOM 43 C ARG A 8 0.704 -18.592 0.168 1.00 0.00 C ATOM 44 O ARG A 8 -0.295 -19.072 0.697 1.00 0.00 O ATOM 45 CB ARG A 8 2.142 -20.612 -0.099 1.00 0.00 C ATOM 46 CG ARG A 8 1.105 -21.682 0.099 1.00 0.00 C ATOM 47 CD ARG A 8 0.574 -22.164 -1.237 1.00 0.00 C ATOM 48 NE ARG A 8 1.649 -22.682 -2.098 1.00 0.00 N ATOM 49 CZ ARG A 8 1.485 -23.443 -3.185 1.00 0.00 C ATOM 50 NH1 ARG A 8 0.266 -23.804 -3.586 1.00 0.00 N ATOM 51 NH2 ARG A 8 2.551 -23.827 -3.871 1.00 0.00 N ATOM 0 H ARG A 8 3.402 -18.410 -0.530 1.00 0.00 H new ATOM 0 HA ARG A 8 0.989 -19.692 -1.642 1.00 0.00 H new ATOM 0 HB2 ARG A 8 2.964 -21.014 -0.692 1.00 0.00 H new ATOM 0 HB3 ARG A 8 2.555 -20.329 0.869 1.00 0.00 H new ATOM 0 HG2 ARG A 8 1.538 -22.518 0.648 1.00 0.00 H new ATOM 0 HG3 ARG A 8 0.285 -21.294 0.704 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -0.168 -22.945 -1.073 1.00 0.00 H new ATOM 0 HD3 ARG A 8 0.066 -21.343 -1.744 1.00 0.00 H new ATOM 0 HE ARG A 8 2.606 -22.438 -1.842 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -0.554 -23.499 -3.062 1.00 0.00 H new ATOM 0 HH12 ARG A 8 0.154 -24.385 -4.417 1.00 0.00 H new ATOM 0 HH21 ARG A 8 3.482 -23.542 -3.568 1.00 0.00 H new ATOM 0 HH22 ARG A 8 2.441 -24.408 -4.702 1.00 0.00 H new ATOM 65 N HIS A 9 1.020 -17.345 0.274 1.00 0.00 N ATOM 66 CA HIS A 9 0.397 -16.433 1.231 1.00 0.00 C ATOM 67 C HIS A 9 -0.649 -15.637 0.497 1.00 0.00 C ATOM 68 O HIS A 9 -1.021 -14.558 0.914 1.00 0.00 O ATOM 69 CB HIS A 9 1.459 -15.457 1.801 1.00 0.00 C ATOM 70 CG HIS A 9 2.674 -16.127 2.377 1.00 0.00 C ATOM 71 ND1 HIS A 9 3.911 -15.973 1.802 1.00 0.00 N ATOM 72 CD2 HIS A 9 2.779 -16.950 3.441 1.00 0.00 C ATOM 73 CE1 HIS A 9 4.736 -16.721 2.523 1.00 0.00 C ATOM 74 NE2 HIS A 9 4.090 -17.327 3.526 1.00 0.00 N ATOM 0 H HIS A 9 1.732 -16.902 -0.306 1.00 0.00 H new ATOM 0 HA HIS A 9 -0.044 -16.999 2.052 1.00 0.00 H new ATOM 0 HB2 HIS A 9 1.775 -14.780 1.008 1.00 0.00 H new ATOM 0 HB3 HIS A 9 0.995 -14.846 2.575 1.00 0.00 H new ATOM 0 HD2 HIS A 9 1.979 -17.253 4.100 1.00 0.00 H new ATOM 0 HE1 HIS A 9 5.793 -16.827 2.326 1.00 0.00 H new ATOM 0 HE2 HIS A 9 4.498 -17.951 4.222 1.00 0.00 H new ATOM 82 N ILE A 10 -1.132 -16.228 -0.575 1.00 0.00 N ATOM 83 CA ILE A 10 -2.070 -15.622 -1.486 1.00 0.00 C ATOM 84 C ILE A 10 -3.327 -15.188 -0.771 1.00 0.00 C ATOM 85 O ILE A 10 -3.732 -14.074 -0.850 1.00 0.00 O ATOM 86 CB ILE A 10 -2.452 -16.649 -2.597 1.00 0.00 C ATOM 87 CG1 ILE A 10 -1.185 -17.151 -3.316 1.00 0.00 C ATOM 88 CG2 ILE A 10 -3.413 -16.029 -3.609 1.00 0.00 C ATOM 89 CD1 ILE A 10 -0.367 -16.058 -3.948 1.00 0.00 C ATOM 0 H ILE A 10 -0.871 -17.177 -0.842 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.596 -14.743 -1.923 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.952 -17.492 -2.120 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.563 -17.689 -2.601 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.476 -17.865 -4.086 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.663 -16.766 -4.372 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -4.323 -15.711 -3.100 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.940 -15.166 -4.079 1.00 0.00 H new ATOM 0 HD11 ILE A 10 0.507 -16.492 -4.434 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -0.971 -15.534 -4.689 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -0.044 -15.355 -3.180 1.00 0.00 H new ATOM 101 N ARG A 11 -3.903 -16.089 -0.043 1.00 0.00 N ATOM 102 CA ARG A 11 -5.143 -15.815 0.669 1.00 0.00 C ATOM 103 C ARG A 11 -4.868 -15.040 1.941 1.00 0.00 C ATOM 104 O ARG A 11 -5.616 -14.154 2.318 1.00 0.00 O ATOM 105 CB ARG A 11 -5.850 -17.105 1.006 1.00 0.00 C ATOM 106 CG ARG A 11 -6.187 -17.956 -0.201 1.00 0.00 C ATOM 107 CD ARG A 11 -6.822 -19.271 0.213 1.00 0.00 C ATOM 108 NE ARG A 11 -5.926 -20.065 1.080 1.00 0.00 N ATOM 109 CZ ARG A 11 -5.892 -21.403 1.147 1.00 0.00 C ATOM 110 NH1 ARG A 11 -6.750 -22.140 0.433 1.00 0.00 N ATOM 111 NH2 ARG A 11 -5.009 -21.996 1.941 1.00 0.00 N ATOM 0 H ARG A 11 -3.543 -17.035 0.085 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.781 -15.215 0.020 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.223 -17.685 1.683 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -6.770 -16.874 1.543 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.868 -17.411 -0.855 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.281 -18.152 -0.775 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.756 -19.074 0.739 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -7.073 -19.849 -0.676 1.00 0.00 H new ATOM 0 HE ARG A 11 -5.279 -19.551 1.678 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.437 -21.684 -0.168 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -6.718 -23.158 0.489 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -4.363 -21.434 2.495 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -4.977 -23.014 1.998 1.00 0.00 H new ATOM 125 N LYS A 12 -3.772 -15.360 2.583 1.00 0.00 N ATOM 126 CA LYS A 12 -3.421 -14.721 3.826 1.00 0.00 C ATOM 127 C LYS A 12 -3.097 -13.255 3.667 1.00 0.00 C ATOM 128 O LYS A 12 -3.344 -12.469 4.566 1.00 0.00 O ATOM 129 CB LYS A 12 -2.276 -15.442 4.521 1.00 0.00 C ATOM 130 CG LYS A 12 -2.672 -16.778 5.126 1.00 0.00 C ATOM 131 CD LYS A 12 -1.534 -17.395 5.925 1.00 0.00 C ATOM 132 CE LYS A 12 -0.370 -17.765 5.039 1.00 0.00 C ATOM 133 NZ LYS A 12 0.757 -18.330 5.802 1.00 0.00 N ATOM 0 H LYS A 12 -3.105 -16.062 2.263 1.00 0.00 H new ATOM 0 HA LYS A 12 -4.310 -14.787 4.454 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -1.471 -15.602 3.804 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -1.879 -14.801 5.308 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -3.538 -16.642 5.773 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -2.972 -17.462 4.332 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -1.202 -16.692 6.689 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -1.893 -18.283 6.445 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -0.700 -18.488 4.293 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -0.033 -16.881 4.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 1.401 -18.827 5.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 1.271 -17.563 6.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 0.395 -18.999 6.511 1.00 0.00 H new ATOM 147 N GLY A 13 -2.598 -12.896 2.518 1.00 0.00 N ATOM 148 CA GLY A 13 -2.188 -11.541 2.268 1.00 0.00 C ATOM 149 C GLY A 13 -3.054 -10.837 1.288 1.00 0.00 C ATOM 150 O GLY A 13 -2.808 -9.698 0.978 1.00 0.00 O ATOM 0 H GLY A 13 -2.464 -13.530 1.731 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -2.191 -10.989 3.208 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.162 -11.541 1.901 1.00 0.00 H new ATOM 154 N LEU A 14 -4.032 -11.513 0.767 1.00 0.00 N ATOM 155 CA LEU A 14 -4.948 -10.921 -0.150 1.00 0.00 C ATOM 156 C LEU A 14 -6.346 -11.326 0.276 1.00 0.00 C ATOM 157 O LEU A 14 -6.669 -12.510 0.269 1.00 0.00 O ATOM 158 CB LEU A 14 -4.582 -11.415 -1.537 1.00 0.00 C ATOM 159 CG LEU A 14 -5.206 -10.780 -2.747 1.00 0.00 C ATOM 160 CD1 LEU A 14 -4.471 -11.271 -3.949 1.00 0.00 C ATOM 161 CD2 LEU A 14 -6.663 -11.129 -2.895 1.00 0.00 C ATOM 0 H LEU A 14 -4.215 -12.496 0.969 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.907 -9.832 -0.161 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.501 -11.319 -1.641 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.813 -12.480 -1.574 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.140 -9.697 -2.639 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.902 -10.826 -4.846 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.421 -10.990 -3.873 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.552 -12.356 -4.007 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -7.065 -10.644 -3.785 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.770 -12.209 -2.991 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.210 -10.786 -2.017 1.00 0.00 H new ATOM 173 N GLU A 15 -7.166 -10.369 0.636 1.00 0.00 N ATOM 174 CA GLU A 15 -8.477 -10.689 1.185 1.00 0.00 C ATOM 175 C GLU A 15 -9.557 -10.090 0.289 1.00 0.00 C ATOM 176 O GLU A 15 -9.990 -8.965 0.515 1.00 0.00 O ATOM 177 CB GLU A 15 -8.554 -10.117 2.580 1.00 0.00 C ATOM 178 CG GLU A 15 -9.244 -10.949 3.614 1.00 0.00 C ATOM 179 CD GLU A 15 -9.090 -12.425 3.437 1.00 0.00 C ATOM 180 OE1 GLU A 15 -8.071 -12.974 3.861 1.00 0.00 O ATOM 181 OE2 GLU A 15 -10.013 -13.077 2.885 1.00 0.00 O ATOM 0 H GLU A 15 -6.960 -9.373 0.564 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.630 -11.767 1.229 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.538 -9.922 2.924 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -9.062 -9.154 2.525 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.861 -10.673 4.597 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.306 -10.705 3.606 1.00 0.00 H new ATOM 188 N GLN A 16 -9.995 -10.846 -0.703 1.00 0.00 N ATOM 189 CA GLN A 16 -10.849 -10.331 -1.780 1.00 0.00 C ATOM 190 C GLN A 16 -12.093 -9.604 -1.274 1.00 0.00 C ATOM 191 O GLN A 16 -12.476 -8.567 -1.822 1.00 0.00 O ATOM 192 CB GLN A 16 -11.326 -11.445 -2.697 1.00 0.00 C ATOM 193 CG GLN A 16 -10.263 -12.410 -3.194 1.00 0.00 C ATOM 194 CD GLN A 16 -10.837 -13.407 -4.189 1.00 0.00 C ATOM 195 OE1 GLN A 16 -11.770 -13.097 -4.934 1.00 0.00 O ATOM 196 NE2 GLN A 16 -10.323 -14.611 -4.195 1.00 0.00 N ATOM 0 H GLN A 16 -9.773 -11.837 -0.792 1.00 0.00 H new ATOM 0 HA GLN A 16 -10.214 -9.625 -2.316 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -12.089 -12.018 -2.170 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -11.809 -10.992 -3.563 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -9.453 -11.851 -3.663 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -9.832 -12.946 -2.348 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -9.552 -14.839 -3.568 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -10.694 -15.321 -4.827 1.00 0.00 H new ATOM 205 N GLY A 17 -12.724 -10.168 -0.249 1.00 0.00 N ATOM 206 CA GLY A 17 -13.959 -9.626 0.301 1.00 0.00 C ATOM 207 C GLY A 17 -13.826 -8.200 0.780 1.00 0.00 C ATOM 208 O GLY A 17 -14.575 -7.319 0.337 1.00 0.00 O ATOM 0 H GLY A 17 -12.394 -11.011 0.222 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -14.739 -9.675 -0.459 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -14.284 -10.252 1.132 1.00 0.00 H new ATOM 212 N ASN A 18 -12.878 -7.950 1.652 1.00 0.00 N ATOM 213 CA ASN A 18 -12.686 -6.602 2.176 1.00 0.00 C ATOM 214 C ASN A 18 -11.986 -5.681 1.188 1.00 0.00 C ATOM 215 O ASN A 18 -12.133 -4.463 1.266 1.00 0.00 O ATOM 216 CB ASN A 18 -12.032 -6.577 3.576 1.00 0.00 C ATOM 217 CG ASN A 18 -10.864 -7.470 3.728 1.00 0.00 C ATOM 218 OD1 ASN A 18 -11.019 -8.620 4.115 1.00 0.00 O ATOM 219 ND2 ASN A 18 -9.705 -6.964 3.464 1.00 0.00 N ATOM 0 H ASN A 18 -12.230 -8.648 2.016 1.00 0.00 H new ATOM 0 HA ASN A 18 -13.689 -6.198 2.313 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -11.723 -5.556 3.800 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -12.782 -6.853 4.317 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -8.864 -7.530 3.576 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -9.631 -5.998 3.144 1.00 0.00 H new ATOM 226 N LEU A 19 -11.261 -6.265 0.239 1.00 0.00 N ATOM 227 CA LEU A 19 -10.594 -5.509 -0.845 1.00 0.00 C ATOM 228 C LEU A 19 -11.567 -4.648 -1.596 1.00 0.00 C ATOM 229 O LEU A 19 -11.348 -3.444 -1.748 1.00 0.00 O ATOM 230 CB LEU A 19 -9.924 -6.462 -1.834 1.00 0.00 C ATOM 231 CG LEU A 19 -8.464 -6.837 -1.598 1.00 0.00 C ATOM 232 CD1 LEU A 19 -7.555 -5.894 -2.327 1.00 0.00 C ATOM 233 CD2 LEU A 19 -8.111 -6.800 -0.148 1.00 0.00 C ATOM 0 H LEU A 19 -11.112 -7.273 0.189 1.00 0.00 H new ATOM 0 HA LEU A 19 -9.845 -4.873 -0.374 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -10.505 -7.384 -1.854 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -9.997 -6.017 -2.826 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.335 -7.853 -1.971 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.518 -6.177 -2.147 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.764 -5.941 -3.396 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.722 -4.878 -1.969 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.063 -7.073 -0.021 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -8.273 -5.795 0.240 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -8.738 -7.505 0.397 1.00 0.00 H new ATOM 245 N LYS A 20 -12.656 -5.251 -2.031 1.00 0.00 N ATOM 246 CA LYS A 20 -13.688 -4.562 -2.816 1.00 0.00 C ATOM 247 C LYS A 20 -14.195 -3.324 -2.053 1.00 0.00 C ATOM 248 O LYS A 20 -14.267 -2.226 -2.622 1.00 0.00 O ATOM 249 CB LYS A 20 -14.875 -5.497 -3.105 1.00 0.00 C ATOM 250 CG LYS A 20 -14.519 -6.928 -3.532 1.00 0.00 C ATOM 251 CD LYS A 20 -13.879 -7.046 -4.895 1.00 0.00 C ATOM 252 CE LYS A 20 -14.872 -6.725 -6.010 1.00 0.00 C ATOM 253 NZ LYS A 20 -14.358 -7.107 -7.340 1.00 0.00 N ATOM 0 H LYS A 20 -12.860 -6.235 -1.855 1.00 0.00 H new ATOM 0 HA LYS A 20 -13.241 -4.255 -3.762 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -15.496 -5.550 -2.210 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -15.484 -5.046 -3.889 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.843 -7.355 -2.791 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -15.427 -7.531 -3.520 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -13.028 -6.368 -4.958 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -13.493 -8.056 -5.030 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -15.810 -7.247 -5.821 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -15.094 -5.658 -6.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -15.137 -7.096 -8.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -13.624 -6.432 -7.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -13.951 -8.063 -7.293 1.00 0.00 H new ATOM 267 N LYS A 21 -14.405 -3.471 -0.758 1.00 0.00 N ATOM 268 CA LYS A 21 -15.024 -2.428 0.027 1.00 0.00 C ATOM 269 C LYS A 21 -14.022 -1.339 0.369 1.00 0.00 C ATOM 270 O LYS A 21 -14.385 -0.167 0.551 1.00 0.00 O ATOM 271 CB LYS A 21 -15.569 -3.044 1.281 1.00 0.00 C ATOM 272 CG LYS A 21 -16.522 -4.186 1.003 1.00 0.00 C ATOM 273 CD LYS A 21 -16.813 -4.965 2.249 1.00 0.00 C ATOM 274 CE LYS A 21 -17.539 -4.117 3.290 1.00 0.00 C ATOM 275 NZ LYS A 21 -17.886 -4.880 4.504 1.00 0.00 N ATOM 0 H LYS A 21 -14.154 -4.306 -0.229 1.00 0.00 H new ATOM 0 HA LYS A 21 -15.828 -1.967 -0.547 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -14.742 -3.406 1.892 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -16.084 -2.279 1.863 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -17.452 -3.795 0.590 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -16.092 -4.847 0.250 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -17.421 -5.835 2.000 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -15.880 -5.338 2.671 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -16.910 -3.270 3.565 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -18.449 -3.709 2.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -18.377 -4.257 5.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -18.508 -5.673 4.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -17.018 -5.248 4.943 1.00 0.00 H new ATOM 289 N ALA A 22 -12.765 -1.706 0.422 1.00 0.00 N ATOM 290 CA ALA A 22 -11.741 -0.771 0.771 1.00 0.00 C ATOM 291 C ALA A 22 -11.408 0.109 -0.395 1.00 0.00 C ATOM 292 O ALA A 22 -11.261 1.322 -0.244 1.00 0.00 O ATOM 293 CB ALA A 22 -10.512 -1.488 1.256 1.00 0.00 C ATOM 0 H ALA A 22 -12.433 -2.650 0.226 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.115 -0.143 1.580 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.745 -0.759 1.517 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.761 -2.083 2.135 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -10.138 -2.143 0.469 1.00 0.00 H new ATOM 299 N LEU A 23 -11.359 -0.480 -1.585 1.00 0.00 N ATOM 300 CA LEU A 23 -10.971 0.279 -2.771 1.00 0.00 C ATOM 301 C LEU A 23 -12.094 1.211 -3.180 1.00 0.00 C ATOM 302 O LEU A 23 -11.907 2.119 -3.977 1.00 0.00 O ATOM 303 CB LEU A 23 -10.558 -0.616 -3.929 1.00 0.00 C ATOM 304 CG LEU A 23 -9.654 -1.807 -3.579 1.00 0.00 C ATOM 305 CD1 LEU A 23 -9.158 -2.504 -4.804 1.00 0.00 C ATOM 306 CD2 LEU A 23 -8.509 -1.476 -2.613 1.00 0.00 C ATOM 0 H LEU A 23 -11.578 -1.462 -1.754 1.00 0.00 H new ATOM 0 HA LEU A 23 -10.092 0.869 -2.509 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -11.461 -1.000 -4.404 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -10.045 -0.003 -4.669 1.00 0.00 H new ATOM 0 HG LEU A 23 -10.296 -2.496 -3.030 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.522 -3.340 -4.514 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -10.006 -2.875 -5.380 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -8.584 -1.806 -5.413 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -7.923 -2.375 -2.422 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.869 -0.713 -3.055 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -8.921 -1.105 -1.674 1.00 0.00 H new ATOM 318 N VAL A 24 -13.262 0.984 -2.638 1.00 0.00 N ATOM 319 CA VAL A 24 -14.349 1.931 -2.796 1.00 0.00 C ATOM 320 C VAL A 24 -13.928 3.294 -2.228 1.00 0.00 C ATOM 321 O VAL A 24 -14.118 4.330 -2.850 1.00 0.00 O ATOM 322 CB VAL A 24 -15.617 1.479 -2.034 1.00 0.00 C ATOM 323 CG1 VAL A 24 -16.664 2.577 -2.040 1.00 0.00 C ATOM 324 CG2 VAL A 24 -16.177 0.219 -2.633 1.00 0.00 C ATOM 0 H VAL A 24 -13.490 0.158 -2.085 1.00 0.00 H new ATOM 0 HA VAL A 24 -14.573 1.994 -3.861 1.00 0.00 H new ATOM 0 HB VAL A 24 -15.337 1.274 -1.001 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -17.548 2.240 -1.499 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -16.261 3.467 -1.557 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -16.936 2.814 -3.068 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -17.068 -0.081 -2.082 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -16.438 0.397 -3.676 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -15.431 -0.574 -2.576 1.00 0.00 H new ATOM 334 N ASN A 25 -13.267 3.246 -1.100 1.00 0.00 N ATOM 335 CA ASN A 25 -12.967 4.431 -0.313 1.00 0.00 C ATOM 336 C ASN A 25 -11.513 4.868 -0.447 1.00 0.00 C ATOM 337 O ASN A 25 -11.014 5.646 0.372 1.00 0.00 O ATOM 338 CB ASN A 25 -13.273 4.137 1.159 1.00 0.00 C ATOM 339 CG ASN A 25 -14.747 3.895 1.448 1.00 0.00 C ATOM 340 OD1 ASN A 25 -15.496 4.824 1.719 1.00 0.00 O ATOM 341 ND2 ASN A 25 -15.174 2.648 1.419 1.00 0.00 N ATOM 0 H ASN A 25 -12.916 2.380 -0.692 1.00 0.00 H new ATOM 0 HA ASN A 25 -13.587 5.246 -0.688 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -12.704 3.261 1.470 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -12.927 4.974 1.766 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -16.151 2.438 1.626 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -14.528 1.893 1.190 1.00 0.00 H new ATOM 348 N VAL A 26 -10.841 4.404 -1.473 1.00 0.00 N ATOM 349 CA VAL A 26 -9.418 4.746 -1.645 1.00 0.00 C ATOM 350 C VAL A 26 -9.158 5.975 -2.477 1.00 0.00 C ATOM 351 O VAL A 26 -9.880 6.287 -3.439 1.00 0.00 O ATOM 352 CB VAL A 26 -8.569 3.616 -2.271 1.00 0.00 C ATOM 353 CG1 VAL A 26 -8.401 2.465 -1.357 1.00 0.00 C ATOM 354 CG2 VAL A 26 -9.149 3.170 -3.572 1.00 0.00 C ATOM 0 H VAL A 26 -11.231 3.800 -2.197 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.118 4.927 -0.613 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.578 4.032 -2.453 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.797 1.699 -1.844 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.903 2.794 -0.445 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -9.379 2.053 -1.108 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.533 2.375 -3.991 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.161 2.799 -3.411 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.177 4.011 -4.265 1.00 0.00 H new ATOM 364 N GLU A 27 -8.134 6.669 -2.083 1.00 0.00 N ATOM 365 CA GLU A 27 -7.518 7.670 -2.891 1.00 0.00 C ATOM 366 C GLU A 27 -6.304 7.072 -3.510 1.00 0.00 C ATOM 367 O GLU A 27 -5.263 6.933 -2.889 1.00 0.00 O ATOM 368 CB GLU A 27 -7.121 8.913 -2.153 1.00 0.00 C ATOM 369 CG GLU A 27 -6.567 8.689 -0.789 1.00 0.00 C ATOM 370 CD GLU A 27 -7.621 8.480 0.250 1.00 0.00 C ATOM 371 OE1 GLU A 27 -8.335 9.443 0.580 1.00 0.00 O ATOM 372 OE2 GLU A 27 -7.790 7.345 0.722 1.00 0.00 O ATOM 0 H GLU A 27 -7.696 6.550 -1.170 1.00 0.00 H new ATOM 0 HA GLU A 27 -8.259 7.984 -3.626 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -6.379 9.448 -2.746 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -7.993 9.563 -2.072 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -5.910 7.820 -0.810 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.954 9.546 -0.508 1.00 0.00 H new ATOM 379 N TRP A 28 -6.480 6.638 -4.662 1.00 0.00 N ATOM 380 CA TRP A 28 -5.444 6.007 -5.428 1.00 0.00 C ATOM 381 C TRP A 28 -4.187 6.820 -5.589 1.00 0.00 C ATOM 382 O TRP A 28 -4.211 7.987 -6.008 1.00 0.00 O ATOM 383 CB TRP A 28 -5.958 5.524 -6.733 1.00 0.00 C ATOM 384 CG TRP A 28 -6.680 4.251 -6.606 1.00 0.00 C ATOM 385 CD1 TRP A 28 -7.967 4.018 -6.869 1.00 0.00 C ATOM 386 CD2 TRP A 28 -6.136 3.029 -6.150 1.00 0.00 C ATOM 387 NE1 TRP A 28 -8.264 2.712 -6.639 1.00 0.00 N ATOM 388 CE2 TRP A 28 -7.153 2.088 -6.193 1.00 0.00 C ATOM 389 CE3 TRP A 28 -4.880 2.637 -5.715 1.00 0.00 C ATOM 390 CZ2 TRP A 28 -6.962 0.790 -5.831 1.00 0.00 C ATOM 391 CZ3 TRP A 28 -4.694 1.338 -5.343 1.00 0.00 C ATOM 392 CH2 TRP A 28 -5.730 0.433 -5.407 1.00 0.00 C ATOM 0 H TRP A 28 -7.373 6.697 -5.151 1.00 0.00 H new ATOM 0 HA TRP A 28 -5.137 5.147 -4.833 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -6.621 6.275 -7.161 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -5.126 5.401 -7.427 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -8.671 4.760 -7.215 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -9.175 2.276 -6.780 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -4.066 3.345 -5.671 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -7.766 0.071 -5.881 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -3.724 1.016 -4.995 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.553 -0.590 -5.110 1.00 0.00 H new ATOM 403 N ASN A 29 -3.107 6.164 -5.201 1.00 0.00 N ATOM 404 CA ASN A 29 -1.743 6.639 -5.228 1.00 0.00 C ATOM 405 C ASN A 29 -1.515 7.676 -4.156 1.00 0.00 C ATOM 406 O ASN A 29 -0.562 8.443 -4.164 1.00 0.00 O ATOM 407 CB ASN A 29 -1.358 7.073 -6.615 1.00 0.00 C ATOM 408 CG ASN A 29 0.120 7.102 -6.833 1.00 0.00 C ATOM 409 OD1 ASN A 29 0.782 8.136 -6.697 1.00 0.00 O ATOM 410 ND2 ASN A 29 0.649 5.982 -7.172 1.00 0.00 N ATOM 0 H ASN A 29 -3.171 5.215 -4.832 1.00 0.00 H new ATOM 0 HA ASN A 29 -1.065 5.822 -4.984 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -1.813 6.397 -7.340 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -1.766 8.066 -6.805 1.00 0.00 H new ATOM 0 HD21 ASN A 29 1.653 5.922 -7.340 1.00 0.00 H new ATOM 0 HD22 ASN A 29 0.065 5.152 -7.273 1.00 0.00 H new ATOM 417 N ILE A 30 -2.376 7.646 -3.188 1.00 0.00 N ATOM 418 CA ILE A 30 -2.227 8.466 -2.042 1.00 0.00 C ATOM 419 C ILE A 30 -2.171 7.561 -0.856 1.00 0.00 C ATOM 420 O ILE A 30 -3.150 6.881 -0.554 1.00 0.00 O ATOM 421 CB ILE A 30 -3.388 9.495 -1.840 1.00 0.00 C ATOM 422 CG1 ILE A 30 -3.508 10.432 -3.054 1.00 0.00 C ATOM 423 CG2 ILE A 30 -3.187 10.306 -0.536 1.00 0.00 C ATOM 424 CD1 ILE A 30 -4.531 11.532 -2.898 1.00 0.00 C ATOM 0 H ILE A 30 -3.202 7.048 -3.176 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.320 9.057 -2.171 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.320 8.937 -1.750 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.535 10.883 -3.246 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.763 9.838 -3.932 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.007 11.014 -0.418 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.169 9.626 0.316 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.243 10.849 -0.587 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.548 12.144 -3.800 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -5.516 11.093 -2.739 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.268 12.154 -2.043 1.00 0.00 H new ATOM 436 N CYS A 31 -0.993 7.438 -0.275 1.00 0.00 N ATOM 437 CA CYS A 31 -0.867 6.753 0.990 1.00 0.00 C ATOM 438 C CYS A 31 -1.846 7.341 1.985 1.00 0.00 C ATOM 439 O CYS A 31 -1.669 8.450 2.484 1.00 0.00 O ATOM 440 CB CYS A 31 0.586 6.742 1.536 1.00 0.00 C ATOM 441 SG CYS A 31 0.780 6.235 3.260 1.00 0.00 S ATOM 0 H CYS A 31 -0.119 7.801 -0.657 1.00 0.00 H new ATOM 0 HA CYS A 31 -1.115 5.704 0.827 1.00 0.00 H new ATOM 0 HB2 CYS A 31 1.182 6.076 0.913 1.00 0.00 H new ATOM 0 HB3 CYS A 31 1.003 7.743 1.423 1.00 0.00 H new ATOM 0 HG CYS A 31 2.029 6.337 3.604 1.00 0.00 H new ATOM 446 N GLN A 32 -2.892 6.598 2.213 1.00 0.00 N ATOM 447 CA GLN A 32 -3.980 6.957 3.120 1.00 0.00 C ATOM 448 C GLN A 32 -3.428 7.164 4.484 1.00 0.00 C ATOM 449 O GLN A 32 -3.847 8.029 5.213 1.00 0.00 O ATOM 450 CB GLN A 32 -4.990 5.834 3.184 1.00 0.00 C ATOM 451 CG GLN A 32 -5.287 5.256 1.858 1.00 0.00 C ATOM 452 CD GLN A 32 -6.442 4.334 1.933 1.00 0.00 C ATOM 453 OE1 GLN A 32 -6.282 3.148 2.174 1.00 0.00 O ATOM 454 NE2 GLN A 32 -7.602 4.856 1.718 1.00 0.00 N ATOM 0 H GLN A 32 -3.029 5.692 1.764 1.00 0.00 H new ATOM 0 HA GLN A 32 -4.459 7.866 2.757 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -4.614 5.050 3.841 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -5.913 6.206 3.628 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -5.499 6.055 1.147 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -4.413 4.722 1.485 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -7.684 5.853 1.521 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -8.437 4.271 1.745 1.00 0.00 H new ATOM 463 N ASP A 33 -2.440 6.398 4.804 1.00 0.00 N ATOM 464 CA ASP A 33 -1.821 6.523 6.111 1.00 0.00 C ATOM 465 C ASP A 33 -1.024 7.849 6.228 1.00 0.00 C ATOM 466 O ASP A 33 -0.672 8.279 7.305 1.00 0.00 O ATOM 467 CB ASP A 33 -0.986 5.302 6.479 1.00 0.00 C ATOM 468 CG ASP A 33 -0.697 5.245 7.970 1.00 0.00 C ATOM 469 OD1 ASP A 33 -1.619 4.919 8.759 1.00 0.00 O ATOM 470 OD2 ASP A 33 0.422 5.494 8.376 1.00 0.00 O ATOM 0 H ASP A 33 -2.037 5.683 4.198 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.623 6.564 6.848 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -1.512 4.397 6.176 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.046 5.324 5.927 1.00 0.00 H new ATOM 475 N CYS A 34 -0.752 8.512 5.082 1.00 0.00 N ATOM 476 CA CYS A 34 -0.183 9.797 5.086 1.00 0.00 C ATOM 477 C CYS A 34 -1.254 10.847 5.318 1.00 0.00 C ATOM 478 O CYS A 34 -0.994 11.887 5.909 1.00 0.00 O ATOM 479 CB CYS A 34 0.540 10.077 3.780 1.00 0.00 C ATOM 480 SG CYS A 34 2.288 9.604 3.661 1.00 0.00 S ATOM 0 H CYS A 34 -0.936 8.137 4.151 1.00 0.00 H new ATOM 0 HA CYS A 34 0.543 9.841 5.898 1.00 0.00 H new ATOM 0 HB2 CYS A 34 0.000 9.567 2.982 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.468 11.146 3.580 1.00 0.00 H new ATOM 0 HG CYS A 34 2.532 8.634 4.491 1.00 0.00 H new ATOM 485 N LYS A 35 -2.458 10.577 4.873 1.00 0.00 N ATOM 486 CA LYS A 35 -3.519 11.536 5.029 1.00 0.00 C ATOM 487 C LYS A 35 -4.052 11.479 6.442 1.00 0.00 C ATOM 488 O LYS A 35 -4.227 12.507 7.092 1.00 0.00 O ATOM 489 CB LYS A 35 -4.642 11.345 4.013 1.00 0.00 C ATOM 490 CG LYS A 35 -5.550 10.160 4.243 1.00 0.00 C ATOM 491 CD LYS A 35 -6.657 10.103 3.249 1.00 0.00 C ATOM 492 CE LYS A 35 -7.557 11.325 3.350 1.00 0.00 C ATOM 493 NZ LYS A 35 -8.733 11.231 2.473 1.00 0.00 N ATOM 0 H LYS A 35 -2.723 9.710 4.405 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.101 12.524 4.837 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.252 12.248 4.002 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -4.197 11.249 3.023 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -4.967 9.241 4.189 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -5.968 10.214 5.248 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -6.242 10.037 2.243 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -7.247 9.201 3.410 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -7.886 11.446 4.382 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -6.985 12.216 3.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -8.762 12.057 1.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -8.673 10.363 1.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -9.597 11.207 3.052 1.00 0.00 H new ATOM 762 N PRO A 52 6.808 9.694 -3.482 1.00 0.00 N ATOM 763 CA PRO A 52 7.195 8.348 -3.160 1.00 0.00 C ATOM 764 C PRO A 52 6.379 7.329 -3.935 1.00 0.00 C ATOM 765 O PRO A 52 5.419 7.674 -4.647 1.00 0.00 O ATOM 766 CB PRO A 52 6.865 8.268 -1.666 1.00 0.00 C ATOM 767 CG PRO A 52 5.658 9.112 -1.533 1.00 0.00 C ATOM 768 CD PRO A 52 5.889 10.252 -2.468 1.00 0.00 C ATOM 0 HA PRO A 52 8.235 8.131 -3.405 1.00 0.00 H new ATOM 0 HB2 PRO A 52 6.674 7.242 -1.352 1.00 0.00 H new ATOM 0 HB3 PRO A 52 7.685 8.642 -1.053 1.00 0.00 H new ATOM 0 HG2 PRO A 52 4.757 8.559 -1.798 1.00 0.00 H new ATOM 0 HG3 PRO A 52 5.529 9.460 -0.508 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.958 10.596 -2.918 1.00 0.00 H new ATOM 0 HD3 PRO A 52 6.330 11.107 -1.955 1.00 0.00 H new ATOM 776 N SER A 53 6.759 6.100 -3.814 1.00 0.00 N ATOM 777 CA SER A 53 6.035 5.053 -4.399 1.00 0.00 C ATOM 778 C SER A 53 4.881 4.718 -3.487 1.00 0.00 C ATOM 779 O SER A 53 4.926 5.027 -2.282 1.00 0.00 O ATOM 780 CB SER A 53 6.967 3.871 -4.628 1.00 0.00 C ATOM 781 OG SER A 53 7.830 3.679 -3.511 1.00 0.00 O ATOM 0 H SER A 53 7.589 5.806 -3.300 1.00 0.00 H new ATOM 0 HA SER A 53 5.629 5.333 -5.371 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.380 2.968 -4.799 1.00 0.00 H new ATOM 0 HB3 SER A 53 7.561 4.040 -5.526 1.00 0.00 H new ATOM 0 HG SER A 53 8.419 2.914 -3.680 1.00 0.00 H new ATOM 787 N VAL A 54 3.858 4.155 -4.020 1.00 0.00 N ATOM 788 CA VAL A 54 2.711 3.841 -3.216 1.00 0.00 C ATOM 789 C VAL A 54 2.391 2.387 -3.343 1.00 0.00 C ATOM 790 O VAL A 54 2.251 1.854 -4.443 1.00 0.00 O ATOM 791 CB VAL A 54 1.479 4.731 -3.537 1.00 0.00 C ATOM 792 CG1 VAL A 54 0.346 4.437 -2.576 1.00 0.00 C ATOM 793 CG2 VAL A 54 1.853 6.200 -3.456 1.00 0.00 C ATOM 0 H VAL A 54 3.781 3.899 -5.004 1.00 0.00 H new ATOM 0 HA VAL A 54 2.965 4.062 -2.179 1.00 0.00 H new ATOM 0 HB VAL A 54 1.149 4.504 -4.551 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.508 5.070 -2.816 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.058 3.389 -2.663 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.672 4.640 -1.556 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.979 6.811 -3.683 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.205 6.431 -2.451 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.643 6.415 -4.176 1.00 0.00 H new ATOM 803 N TRP A 55 2.369 1.748 -2.236 1.00 0.00 N ATOM 804 CA TRP A 55 2.092 0.366 -2.164 1.00 0.00 C ATOM 805 C TRP A 55 0.763 0.144 -1.488 1.00 0.00 C ATOM 806 O TRP A 55 0.457 0.753 -0.457 1.00 0.00 O ATOM 807 CB TRP A 55 3.226 -0.393 -1.461 1.00 0.00 C ATOM 808 CG TRP A 55 4.573 -0.306 -2.153 1.00 0.00 C ATOM 809 CD1 TRP A 55 5.438 0.737 -2.119 1.00 0.00 C ATOM 810 CD2 TRP A 55 5.212 -1.317 -2.952 1.00 0.00 C ATOM 811 NE1 TRP A 55 6.571 0.446 -2.838 1.00 0.00 N ATOM 812 CE2 TRP A 55 6.458 -0.806 -3.357 1.00 0.00 C ATOM 813 CE3 TRP A 55 4.856 -2.597 -3.361 1.00 0.00 C ATOM 814 CZ2 TRP A 55 7.344 -1.534 -4.147 1.00 0.00 C ATOM 815 CZ3 TRP A 55 5.732 -3.319 -4.143 1.00 0.00 C ATOM 816 CH2 TRP A 55 6.963 -2.788 -4.527 1.00 0.00 C ATOM 0 H TRP A 55 2.548 2.183 -1.331 1.00 0.00 H new ATOM 0 HA TRP A 55 2.029 -0.033 -3.176 1.00 0.00 H new ATOM 0 HB2 TRP A 55 3.329 -0.007 -0.447 1.00 0.00 H new ATOM 0 HB3 TRP A 55 2.944 -1.442 -1.376 1.00 0.00 H new ATOM 0 HD1 TRP A 55 5.261 1.667 -1.599 1.00 0.00 H new ATOM 0 HE1 TRP A 55 7.369 1.069 -2.963 1.00 0.00 H new ATOM 0 HE3 TRP A 55 3.906 -3.020 -3.070 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 8.296 -1.122 -4.447 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 5.460 -4.314 -4.464 1.00 0.00 H new ATOM 0 HH2 TRP A 55 7.628 -3.381 -5.137 1.00 0.00 H new ATOM 827 N LEU A 56 -0.023 -0.677 -2.096 1.00 0.00 N ATOM 828 CA LEU A 56 -1.321 -0.995 -1.587 1.00 0.00 C ATOM 829 C LEU A 56 -1.350 -2.405 -1.016 1.00 0.00 C ATOM 830 O LEU A 56 -1.060 -3.365 -1.721 1.00 0.00 O ATOM 831 CB LEU A 56 -2.398 -0.846 -2.654 1.00 0.00 C ATOM 832 CG LEU A 56 -3.800 -1.230 -2.187 1.00 0.00 C ATOM 833 CD1 LEU A 56 -4.685 -0.022 -1.968 1.00 0.00 C ATOM 834 CD2 LEU A 56 -4.422 -2.228 -3.115 1.00 0.00 C ATOM 0 H LEU A 56 0.215 -1.152 -2.967 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.534 -0.284 -0.789 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.412 0.188 -2.998 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.131 -1.463 -3.512 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.698 -1.708 -1.213 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.671 -0.348 -1.637 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.241 0.621 -1.208 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.781 0.533 -2.901 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.420 -2.484 -2.759 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.493 -1.800 -4.115 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.807 -3.127 -3.148 1.00 0.00 H new ATOM 846 N CYS A 57 -1.704 -2.498 0.250 1.00 0.00 N ATOM 847 CA CYS A 57 -1.851 -3.739 0.987 1.00 0.00 C ATOM 848 C CYS A 57 -2.962 -4.550 0.339 1.00 0.00 C ATOM 849 O CYS A 57 -4.121 -4.178 0.432 1.00 0.00 O ATOM 850 CB CYS A 57 -2.256 -3.380 2.430 1.00 0.00 C ATOM 851 SG CYS A 57 -2.232 -4.728 3.664 1.00 0.00 S ATOM 0 H CYS A 57 -1.906 -1.676 0.819 1.00 0.00 H new ATOM 0 HA CYS A 57 -0.925 -4.315 0.985 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -1.592 -2.589 2.780 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.263 -2.963 2.405 1.00 0.00 H new ATOM 0 HG CYS A 57 -2.158 -4.221 4.859 1.00 0.00 H new ATOM 856 N LEU A 58 -2.619 -5.680 -0.267 1.00 0.00 N ATOM 857 CA LEU A 58 -3.581 -6.515 -1.010 1.00 0.00 C ATOM 858 C LEU A 58 -4.433 -7.278 -0.069 1.00 0.00 C ATOM 859 O LEU A 58 -5.349 -7.989 -0.438 1.00 0.00 O ATOM 860 CB LEU A 58 -2.796 -7.443 -1.902 1.00 0.00 C ATOM 861 CG LEU A 58 -1.821 -6.701 -2.783 1.00 0.00 C ATOM 862 CD1 LEU A 58 -1.018 -7.608 -3.633 1.00 0.00 C ATOM 863 CD2 LEU A 58 -2.548 -5.727 -3.615 1.00 0.00 C ATOM 0 H LEU A 58 -1.669 -6.051 -0.263 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.241 -5.892 -1.614 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.253 -8.161 -1.288 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.485 -8.013 -2.526 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.120 -6.180 -2.131 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.334 -7.021 -4.246 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.447 -8.288 -3.001 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.681 -8.183 -4.279 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.842 -5.192 -4.250 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.273 -6.250 -4.239 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.068 -5.016 -2.973 1.00 0.00 H new ATOM 875 N LYS A 59 -4.092 -7.123 1.133 1.00 0.00 N ATOM 876 CA LYS A 59 -4.781 -7.700 2.214 1.00 0.00 C ATOM 877 C LYS A 59 -5.943 -6.829 2.696 1.00 0.00 C ATOM 878 O LYS A 59 -7.011 -7.336 2.962 1.00 0.00 O ATOM 879 CB LYS A 59 -3.812 -7.980 3.351 1.00 0.00 C ATOM 880 CG LYS A 59 -4.479 -8.540 4.559 1.00 0.00 C ATOM 881 CD LYS A 59 -5.183 -9.853 4.243 1.00 0.00 C ATOM 882 CE LYS A 59 -5.666 -10.546 5.473 1.00 0.00 C ATOM 883 NZ LYS A 59 -6.015 -11.952 5.203 1.00 0.00 N ATOM 0 H LYS A 59 -3.286 -6.564 1.415 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.215 -8.638 1.867 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.049 -8.679 3.007 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -3.300 -7.056 3.621 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.740 -8.701 5.344 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.202 -7.821 4.944 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.028 -9.660 3.582 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.499 -10.509 3.704 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.894 -10.503 6.242 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -6.538 -10.024 5.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -6.363 -12.397 6.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -6.757 -11.992 4.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.172 -12.460 4.867 1.00 0.00 H new ATOM 897 N CYS A 60 -5.737 -5.537 2.832 1.00 0.00 N ATOM 898 CA CYS A 60 -6.827 -4.698 3.351 1.00 0.00 C ATOM 899 C CYS A 60 -7.160 -3.487 2.497 1.00 0.00 C ATOM 900 O CYS A 60 -8.162 -2.838 2.735 1.00 0.00 O ATOM 901 CB CYS A 60 -6.535 -4.250 4.765 1.00 0.00 C ATOM 902 SG CYS A 60 -5.213 -3.026 4.873 1.00 0.00 S ATOM 0 H CYS A 60 -4.870 -5.049 2.606 1.00 0.00 H new ATOM 0 HA CYS A 60 -7.707 -5.341 3.326 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -7.443 -3.832 5.200 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -6.265 -5.119 5.365 1.00 0.00 H new ATOM 0 HG CYS A 60 -4.099 -3.553 4.458 1.00 0.00 H new ATOM 907 N GLY A 61 -6.342 -3.173 1.548 1.00 0.00 N ATOM 908 CA GLY A 61 -6.590 -1.998 0.752 1.00 0.00 C ATOM 909 C GLY A 61 -5.922 -0.762 1.328 1.00 0.00 C ATOM 910 O GLY A 61 -6.261 0.350 0.961 1.00 0.00 O ATOM 0 H GLY A 61 -5.504 -3.700 1.300 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.227 -2.165 -0.262 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -7.665 -1.829 0.682 1.00 0.00 H new ATOM 914 N HIS A 62 -5.022 -0.968 2.281 1.00 0.00 N ATOM 915 CA HIS A 62 -4.185 0.110 2.832 1.00 0.00 C ATOM 916 C HIS A 62 -3.277 0.643 1.765 1.00 0.00 C ATOM 917 O HIS A 62 -2.699 -0.114 1.017 1.00 0.00 O ATOM 918 CB HIS A 62 -3.338 -0.401 4.048 1.00 0.00 C ATOM 919 CG HIS A 62 -2.011 0.327 4.308 1.00 0.00 C ATOM 920 ND1 HIS A 62 -1.847 1.383 5.167 1.00 0.00 N ATOM 921 CD2 HIS A 62 -0.775 0.098 3.774 1.00 0.00 C ATOM 922 CE1 HIS A 62 -0.560 1.754 5.127 1.00 0.00 C ATOM 923 NE2 HIS A 62 0.128 1.005 4.297 1.00 0.00 N ATOM 0 H HIS A 62 -4.846 -1.882 2.698 1.00 0.00 H new ATOM 0 HA HIS A 62 -4.840 0.907 3.184 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -3.950 -0.327 4.947 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -3.123 -1.459 3.895 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -2.577 1.811 5.737 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -0.539 -0.672 3.055 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -0.142 2.566 5.704 1.00 0.00 H new ATOM 931 N GLN A 63 -3.168 1.917 1.704 1.00 0.00 N ATOM 932 CA GLN A 63 -2.245 2.514 0.810 1.00 0.00 C ATOM 933 C GLN A 63 -1.174 3.223 1.593 1.00 0.00 C ATOM 934 O GLN A 63 -1.469 4.106 2.411 1.00 0.00 O ATOM 935 CB GLN A 63 -2.953 3.428 -0.108 1.00 0.00 C ATOM 936 CG GLN A 63 -2.782 3.069 -1.551 1.00 0.00 C ATOM 937 CD GLN A 63 -3.611 3.930 -2.454 1.00 0.00 C ATOM 938 OE1 GLN A 63 -3.262 4.145 -3.567 1.00 0.00 O ATOM 939 NE2 GLN A 63 -4.688 4.464 -1.971 1.00 0.00 N ATOM 0 H GLN A 63 -3.710 2.573 2.266 1.00 0.00 H new ATOM 0 HA GLN A 63 -1.765 1.747 0.203 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -4.015 3.426 0.136 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -2.591 4.444 0.052 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -1.731 3.165 -1.825 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.055 2.024 -1.698 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -4.969 4.265 -1.011 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.254 5.083 -2.551 1.00 0.00 H new ATOM 948 N GLY A 64 0.027 2.802 1.390 1.00 0.00 N ATOM 949 CA GLY A 64 1.120 3.317 2.063 1.00 0.00 C ATOM 950 C GLY A 64 2.202 3.723 1.137 1.00 0.00 C ATOM 951 O GLY A 64 2.245 3.323 -0.006 1.00 0.00 O ATOM 0 H GLY A 64 0.260 2.065 0.725 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.808 4.177 2.655 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.501 2.571 2.760 1.00 0.00 H new ATOM 955 N CYS A 65 3.053 4.530 1.636 1.00 0.00 N ATOM 956 CA CYS A 65 4.129 5.049 0.898 1.00 0.00 C ATOM 957 C CYS A 65 5.320 4.087 1.007 1.00 0.00 C ATOM 958 O CYS A 65 5.593 3.552 2.101 1.00 0.00 O ATOM 959 CB CYS A 65 4.405 6.470 1.396 1.00 0.00 C ATOM 960 SG CYS A 65 4.526 6.611 3.191 1.00 0.00 S ATOM 0 H CYS A 65 3.018 4.858 2.601 1.00 0.00 H new ATOM 0 HA CYS A 65 3.910 5.128 -0.167 1.00 0.00 H new ATOM 0 HB2 CYS A 65 5.334 6.825 0.951 1.00 0.00 H new ATOM 0 HB3 CYS A 65 3.611 7.128 1.043 1.00 0.00 H new ATOM 0 HG CYS A 65 3.950 7.710 3.580 1.00 0.00 H new ATOM 965 N GLY A 66 5.962 3.848 -0.120 1.00 0.00 N ATOM 966 CA GLY A 66 7.002 2.844 -0.251 1.00 0.00 C ATOM 967 C GLY A 66 8.305 3.135 0.437 1.00 0.00 C ATOM 968 O GLY A 66 8.427 4.088 1.187 1.00 0.00 O ATOM 0 H GLY A 66 5.773 4.354 -0.985 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.616 1.900 0.135 1.00 0.00 H new ATOM 0 HA3 GLY A 66 7.202 2.697 -1.312 1.00 0.00 H new ATOM 972 N ARG A 67 9.298 2.325 0.111 1.00 0.00 N ATOM 973 CA ARG A 67 10.600 2.285 0.808 1.00 0.00 C ATOM 974 C ARG A 67 11.317 3.596 0.782 1.00 0.00 C ATOM 975 O ARG A 67 11.902 4.028 1.754 1.00 0.00 O ATOM 976 CB ARG A 67 11.477 1.214 0.197 1.00 0.00 C ATOM 977 CG ARG A 67 10.785 -0.113 0.075 1.00 0.00 C ATOM 978 CD ARG A 67 11.729 -1.188 -0.403 1.00 0.00 C ATOM 979 NE ARG A 67 12.268 -0.897 -1.745 1.00 0.00 N ATOM 980 CZ ARG A 67 12.212 -1.726 -2.804 1.00 0.00 C ATOM 981 NH1 ARG A 67 11.486 -2.843 -2.749 1.00 0.00 N ATOM 982 NH2 ARG A 67 12.827 -1.392 -3.937 1.00 0.00 N ATOM 0 H ARG A 67 9.234 1.659 -0.659 1.00 0.00 H new ATOM 0 HA ARG A 67 10.392 2.055 1.853 1.00 0.00 H new ATOM 0 HB2 ARG A 67 11.803 1.539 -0.791 1.00 0.00 H new ATOM 0 HB3 ARG A 67 12.373 1.095 0.806 1.00 0.00 H new ATOM 0 HG2 ARG A 67 10.368 -0.397 1.041 1.00 0.00 H new ATOM 0 HG3 ARG A 67 9.949 -0.026 -0.620 1.00 0.00 H new ATOM 0 HD2 ARG A 67 12.553 -1.287 0.304 1.00 0.00 H new ATOM 0 HD3 ARG A 67 11.208 -2.145 -0.422 1.00 0.00 H new ATOM 0 HE ARG A 67 12.720 0.007 -1.882 1.00 0.00 H new ATOM 0 HH11 ARG A 67 10.969 -3.074 -1.901 1.00 0.00 H new ATOM 0 HH12 ARG A 67 11.448 -3.467 -3.555 1.00 0.00 H new ATOM 0 HH21 ARG A 67 13.338 -0.511 -4.000 1.00 0.00 H new ATOM 0 HH22 ARG A 67 12.787 -2.017 -4.742 1.00 0.00 H new ATOM 996 N ASN A 68 11.210 4.221 -0.322 1.00 0.00 N ATOM 997 CA ASN A 68 11.845 5.485 -0.625 1.00 0.00 C ATOM 998 C ASN A 68 11.082 6.684 -0.095 1.00 0.00 C ATOM 999 O ASN A 68 11.318 7.815 -0.510 1.00 0.00 O ATOM 1000 CB ASN A 68 12.027 5.598 -2.118 1.00 0.00 C ATOM 1001 CG ASN A 68 10.956 4.852 -2.871 1.00 0.00 C ATOM 1002 OD1 ASN A 68 11.081 3.651 -3.106 1.00 0.00 O ATOM 1003 ND2 ASN A 68 9.923 5.508 -3.260 1.00 0.00 N ATOM 0 H ASN A 68 10.651 3.864 -1.097 1.00 0.00 H new ATOM 0 HA ASN A 68 12.810 5.495 -0.119 1.00 0.00 H new ATOM 0 HB2 ASN A 68 12.010 6.649 -2.408 1.00 0.00 H new ATOM 0 HB3 ASN A 68 13.006 5.207 -2.395 1.00 0.00 H new ATOM 0 HD21 ASN A 68 9.182 5.034 -3.776 1.00 0.00 H new ATOM 0 HD22 ASN A 68 9.843 6.503 -3.052 1.00 0.00 H new ATOM 1010 N SER A 69 10.172 6.453 0.789 1.00 0.00 N ATOM 1011 CA SER A 69 9.539 7.540 1.467 1.00 0.00 C ATOM 1012 C SER A 69 10.266 7.704 2.801 1.00 0.00 C ATOM 1013 O SER A 69 11.073 6.839 3.165 1.00 0.00 O ATOM 1014 CB SER A 69 8.043 7.283 1.686 1.00 0.00 C ATOM 1015 OG SER A 69 7.806 6.199 2.554 1.00 0.00 O ATOM 0 H SER A 69 9.848 5.525 1.061 1.00 0.00 H new ATOM 0 HA SER A 69 9.602 8.448 0.868 1.00 0.00 H new ATOM 0 HB2 SER A 69 7.579 8.181 2.095 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.566 7.087 0.726 1.00 0.00 H new ATOM 0 HG SER A 69 8.224 5.391 2.190 1.00 0.00 H new ATOM 1021 N GLN A 70 10.014 8.763 3.516 1.00 0.00 N ATOM 1022 CA GLN A 70 10.679 8.974 4.784 1.00 0.00 C ATOM 1023 C GLN A 70 10.138 8.023 5.854 1.00 0.00 C ATOM 1024 O GLN A 70 10.902 7.456 6.642 1.00 0.00 O ATOM 1025 CB GLN A 70 10.537 10.436 5.243 1.00 0.00 C ATOM 1026 CG GLN A 70 11.250 10.740 6.561 1.00 0.00 C ATOM 1027 CD GLN A 70 12.756 10.508 6.510 1.00 0.00 C ATOM 1028 OE1 GLN A 70 13.366 10.134 7.513 1.00 0.00 O ATOM 1029 NE2 GLN A 70 13.371 10.764 5.386 1.00 0.00 N ATOM 0 H GLN A 70 9.356 9.496 3.250 1.00 0.00 H new ATOM 0 HA GLN A 70 11.738 8.760 4.642 1.00 0.00 H new ATOM 0 HB2 GLN A 70 10.933 11.091 4.467 1.00 0.00 H new ATOM 0 HB3 GLN A 70 9.478 10.672 5.350 1.00 0.00 H new ATOM 0 HG2 GLN A 70 11.060 11.778 6.836 1.00 0.00 H new ATOM 0 HG3 GLN A 70 10.822 10.118 7.347 1.00 0.00 H new ATOM 0 HE21 GLN A 70 12.839 11.072 4.572 1.00 0.00 H new ATOM 0 HE22 GLN A 70 14.383 10.656 5.322 1.00 0.00 H new ATOM 1038 N GLU A 71 8.838 7.826 5.860 1.00 0.00 N ATOM 1039 CA GLU A 71 8.214 7.004 6.886 1.00 0.00 C ATOM 1040 C GLU A 71 8.069 5.563 6.510 1.00 0.00 C ATOM 1041 O GLU A 71 8.216 4.686 7.361 1.00 0.00 O ATOM 1042 CB GLU A 71 6.848 7.549 7.237 1.00 0.00 C ATOM 1043 CG GLU A 71 6.907 8.807 8.034 1.00 0.00 C ATOM 1044 CD GLU A 71 7.663 8.583 9.316 1.00 0.00 C ATOM 1045 OE1 GLU A 71 7.170 7.835 10.177 1.00 0.00 O ATOM 1046 OE2 GLU A 71 8.792 9.102 9.449 1.00 0.00 O ATOM 0 H GLU A 71 8.193 8.218 5.174 1.00 0.00 H new ATOM 0 HA GLU A 71 8.889 7.049 7.741 1.00 0.00 H new ATOM 0 HB2 GLU A 71 6.290 7.734 6.319 1.00 0.00 H new ATOM 0 HB3 GLU A 71 6.296 6.795 7.799 1.00 0.00 H new ATOM 0 HG2 GLU A 71 7.391 9.591 7.452 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.897 9.152 8.256 1.00 0.00 H new ATOM 1053 N GLN A 72 7.832 5.327 5.240 1.00 0.00 N ATOM 1054 CA GLN A 72 7.493 4.024 4.713 1.00 0.00 C ATOM 1055 C GLN A 72 6.371 3.413 5.533 1.00 0.00 C ATOM 1056 O GLN A 72 6.558 2.445 6.277 1.00 0.00 O ATOM 1057 CB GLN A 72 8.687 3.086 4.603 1.00 0.00 C ATOM 1058 CG GLN A 72 8.427 1.941 3.654 1.00 0.00 C ATOM 1059 CD GLN A 72 9.578 0.984 3.542 1.00 0.00 C ATOM 1060 OE1 GLN A 72 9.408 -0.191 3.242 1.00 0.00 O ATOM 1061 NE2 GLN A 72 10.735 1.457 3.810 1.00 0.00 N ATOM 0 H GLN A 72 7.871 6.054 4.526 1.00 0.00 H new ATOM 0 HA GLN A 72 7.149 4.168 3.689 1.00 0.00 H new ATOM 0 HB2 GLN A 72 9.557 3.647 4.263 1.00 0.00 H new ATOM 0 HB3 GLN A 72 8.928 2.690 5.590 1.00 0.00 H new ATOM 0 HG2 GLN A 72 7.543 1.397 3.987 1.00 0.00 H new ATOM 0 HG3 GLN A 72 8.201 2.342 2.666 1.00 0.00 H new ATOM 0 HE21 GLN A 72 10.839 2.441 4.056 1.00 0.00 H new ATOM 0 HE22 GLN A 72 11.554 0.850 3.778 1.00 0.00 H new ATOM 1070 N HIS A 73 5.215 4.050 5.460 1.00 0.00 N ATOM 1071 CA HIS A 73 4.067 3.645 6.166 1.00 0.00 C ATOM 1072 C HIS A 73 3.630 2.242 5.790 1.00 0.00 C ATOM 1073 O HIS A 73 3.016 1.584 6.570 1.00 0.00 O ATOM 1074 CB HIS A 73 2.961 4.631 5.929 1.00 0.00 C ATOM 1075 CG HIS A 73 3.040 5.931 6.701 1.00 0.00 C ATOM 1076 ND1 HIS A 73 2.751 7.108 6.090 1.00 0.00 N ATOM 1077 CD2 HIS A 73 3.246 6.166 8.022 1.00 0.00 C ATOM 1078 CE1 HIS A 73 2.750 8.026 6.993 1.00 0.00 C ATOM 1079 NE2 HIS A 73 3.054 7.520 8.204 1.00 0.00 N ATOM 0 H HIS A 73 5.071 4.881 4.887 1.00 0.00 H new ATOM 0 HA HIS A 73 4.312 3.622 7.228 1.00 0.00 H new ATOM 0 HB2 HIS A 73 2.936 4.867 4.865 1.00 0.00 H new ATOM 0 HB3 HIS A 73 2.015 4.147 6.171 1.00 0.00 H new ATOM 0 HD2 HIS A 73 3.507 5.440 8.778 1.00 0.00 H new ATOM 0 HE1 HIS A 73 2.533 9.067 6.804 1.00 0.00 H new ATOM 0 HE2 HIS A 73 3.128 8.035 9.081 1.00 0.00 H new ATOM 1087 N ALA A 74 3.985 1.805 4.590 1.00 0.00 N ATOM 1088 CA ALA A 74 3.693 0.445 4.148 1.00 0.00 C ATOM 1089 C ALA A 74 4.484 -0.560 5.006 1.00 0.00 C ATOM 1090 O ALA A 74 3.960 -1.610 5.450 1.00 0.00 O ATOM 1091 CB ALA A 74 4.058 0.297 2.668 1.00 0.00 C ATOM 0 H ALA A 74 4.478 2.374 3.901 1.00 0.00 H new ATOM 0 HA ALA A 74 2.629 0.241 4.267 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.839 -0.719 2.339 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.475 1.003 2.077 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.120 0.501 2.533 1.00 0.00 H new ATOM 1097 N LEU A 75 5.707 -0.200 5.325 1.00 0.00 N ATOM 1098 CA LEU A 75 6.555 -1.052 6.075 1.00 0.00 C ATOM 1099 C LEU A 75 6.144 -0.999 7.508 1.00 0.00 C ATOM 1100 O LEU A 75 6.078 -2.018 8.171 1.00 0.00 O ATOM 1101 CB LEU A 75 7.957 -0.611 5.979 1.00 0.00 C ATOM 1102 CG LEU A 75 8.949 -1.593 6.500 1.00 0.00 C ATOM 1103 CD1 LEU A 75 9.133 -2.726 5.523 1.00 0.00 C ATOM 1104 CD2 LEU A 75 10.226 -0.924 6.770 1.00 0.00 C ATOM 0 H LEU A 75 6.126 0.693 5.065 1.00 0.00 H new ATOM 0 HA LEU A 75 6.471 -2.064 5.679 1.00 0.00 H new ATOM 0 HB2 LEU A 75 8.188 -0.399 4.935 1.00 0.00 H new ATOM 0 HB3 LEU A 75 8.069 0.325 6.526 1.00 0.00 H new ATOM 0 HG LEU A 75 8.574 -2.010 7.434 1.00 0.00 H new ATOM 0 HD11 LEU A 75 9.861 -3.434 5.920 1.00 0.00 H new ATOM 0 HD12 LEU A 75 8.180 -3.233 5.370 1.00 0.00 H new ATOM 0 HD13 LEU A 75 9.491 -2.332 4.572 1.00 0.00 H new ATOM 0 HD21 LEU A 75 10.944 -1.650 7.150 1.00 0.00 H new ATOM 0 HD22 LEU A 75 10.608 -0.484 5.849 1.00 0.00 H new ATOM 0 HD23 LEU A 75 10.076 -0.139 7.512 1.00 0.00 H new ATOM 1116 N LYS A 76 5.904 0.206 8.013 1.00 0.00 N ATOM 1117 CA LYS A 76 5.366 0.367 9.342 1.00 0.00 C ATOM 1118 C LYS A 76 4.051 -0.350 9.495 1.00 0.00 C ATOM 1119 O LYS A 76 3.759 -0.868 10.549 1.00 0.00 O ATOM 1120 CB LYS A 76 5.237 1.836 9.715 1.00 0.00 C ATOM 1121 CG LYS A 76 6.566 2.494 9.849 1.00 0.00 C ATOM 1122 CD LYS A 76 6.455 3.901 10.371 1.00 0.00 C ATOM 1123 CE LYS A 76 7.826 4.381 10.717 1.00 0.00 C ATOM 1124 NZ LYS A 76 7.822 5.649 11.476 1.00 0.00 N ATOM 0 H LYS A 76 6.076 1.080 7.516 1.00 0.00 H new ATOM 0 HA LYS A 76 6.073 -0.089 10.035 1.00 0.00 H new ATOM 0 HB2 LYS A 76 4.651 2.353 8.955 1.00 0.00 H new ATOM 0 HB3 LYS A 76 4.691 1.925 10.654 1.00 0.00 H new ATOM 0 HG2 LYS A 76 7.193 1.908 10.521 1.00 0.00 H new ATOM 0 HG3 LYS A 76 7.063 2.507 8.879 1.00 0.00 H new ATOM 0 HD2 LYS A 76 6.003 4.550 9.621 1.00 0.00 H new ATOM 0 HD3 LYS A 76 5.809 3.931 11.249 1.00 0.00 H new ATOM 0 HE2 LYS A 76 8.335 3.616 11.303 1.00 0.00 H new ATOM 0 HE3 LYS A 76 8.400 4.515 9.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 8.716 5.743 11.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 7.720 6.447 10.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 7.027 5.650 12.146 1.00 0.00 H new ATOM 1138 N HIS A 77 3.295 -0.440 8.415 1.00 0.00 N ATOM 1139 CA HIS A 77 2.027 -1.140 8.412 1.00 0.00 C ATOM 1140 C HIS A 77 2.290 -2.622 8.553 1.00 0.00 C ATOM 1141 O HIS A 77 1.513 -3.352 9.185 1.00 0.00 O ATOM 1142 CB HIS A 77 1.240 -0.826 7.147 1.00 0.00 C ATOM 1143 CG HIS A 77 -0.134 -1.416 7.066 1.00 0.00 C ATOM 1144 ND1 HIS A 77 -1.222 -0.868 7.689 1.00 0.00 N ATOM 1145 CD2 HIS A 77 -0.596 -2.489 6.360 1.00 0.00 C ATOM 1146 CE1 HIS A 77 -2.294 -1.591 7.355 1.00 0.00 C ATOM 1147 NE2 HIS A 77 -1.972 -2.591 6.540 1.00 0.00 N ATOM 0 H HIS A 77 3.545 -0.029 7.516 1.00 0.00 H new ATOM 0 HA HIS A 77 1.418 -0.808 9.253 1.00 0.00 H new ATOM 0 HB2 HIS A 77 1.155 0.257 7.055 1.00 0.00 H new ATOM 0 HB3 HIS A 77 1.815 -1.175 6.289 1.00 0.00 H new ATOM 0 HD1 HIS A 77 -1.215 -0.052 8.300 1.00 0.00 H new ATOM 0 HD2 HIS A 77 0.009 -3.152 5.759 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -3.296 -1.389 7.703 1.00 0.00 H new ATOM 1155 N TYR A 78 3.403 -3.067 7.993 1.00 0.00 N ATOM 1156 CA TYR A 78 3.797 -4.442 8.161 1.00 0.00 C ATOM 1157 C TYR A 78 4.278 -4.685 9.581 1.00 0.00 C ATOM 1158 O TYR A 78 4.037 -5.756 10.162 1.00 0.00 O ATOM 1159 CB TYR A 78 4.879 -4.821 7.173 1.00 0.00 C ATOM 1160 CG TYR A 78 5.315 -6.277 7.270 1.00 0.00 C ATOM 1161 CD1 TYR A 78 4.403 -7.309 7.090 1.00 0.00 C ATOM 1162 CD2 TYR A 78 6.633 -6.613 7.563 1.00 0.00 C ATOM 1163 CE1 TYR A 78 4.788 -8.631 7.196 1.00 0.00 C ATOM 1164 CE2 TYR A 78 7.028 -7.937 7.668 1.00 0.00 C ATOM 1165 CZ TYR A 78 6.098 -8.942 7.483 1.00 0.00 C ATOM 1166 OH TYR A 78 6.476 -10.266 7.582 1.00 0.00 O ATOM 0 H TYR A 78 4.036 -2.501 7.428 1.00 0.00 H new ATOM 0 HA TYR A 78 2.925 -5.068 7.971 1.00 0.00 H new ATOM 0 HB2 TYR A 78 4.521 -4.625 6.162 1.00 0.00 H new ATOM 0 HB3 TYR A 78 5.746 -4.180 7.334 1.00 0.00 H new ATOM 0 HD1 TYR A 78 3.374 -7.073 6.863 1.00 0.00 H new ATOM 0 HD2 TYR A 78 7.360 -5.829 7.711 1.00 0.00 H new ATOM 0 HE1 TYR A 78 4.063 -9.419 7.054 1.00 0.00 H new ATOM 0 HE2 TYR A 78 8.056 -8.182 7.893 1.00 0.00 H new ATOM 0 HH TYR A 78 7.433 -10.319 7.788 1.00 0.00 H new ATOM 1176 N LEU A 79 4.942 -3.690 10.154 1.00 0.00 N ATOM 1177 CA LEU A 79 5.489 -3.780 11.493 1.00 0.00 C ATOM 1178 C LEU A 79 4.441 -3.446 12.527 1.00 0.00 C ATOM 1179 O LEU A 79 4.695 -3.501 13.722 1.00 0.00 O ATOM 1180 CB LEU A 79 6.683 -2.828 11.634 1.00 0.00 C ATOM 1181 CG LEU A 79 7.809 -3.030 10.618 1.00 0.00 C ATOM 1182 CD1 LEU A 79 8.982 -2.110 10.913 1.00 0.00 C ATOM 1183 CD2 LEU A 79 8.241 -4.487 10.581 1.00 0.00 C ATOM 0 H LEU A 79 5.115 -2.795 9.697 1.00 0.00 H new ATOM 0 HA LEU A 79 5.821 -4.805 11.660 1.00 0.00 H new ATOM 0 HB2 LEU A 79 6.321 -1.803 11.550 1.00 0.00 H new ATOM 0 HB3 LEU A 79 7.097 -2.938 12.636 1.00 0.00 H new ATOM 0 HG LEU A 79 7.430 -2.768 9.630 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.768 -2.275 10.176 1.00 0.00 H new ATOM 0 HD12 LEU A 79 8.651 -1.072 10.866 1.00 0.00 H new ATOM 0 HD13 LEU A 79 9.369 -2.322 11.910 1.00 0.00 H new ATOM 0 HD21 LEU A 79 9.042 -4.610 9.853 1.00 0.00 H new ATOM 0 HD22 LEU A 79 8.597 -4.786 11.567 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.393 -5.111 10.297 1.00 0.00 H new ATOM 1195 N THR A 80 3.280 -3.086 12.061 1.00 0.00 N ATOM 1196 CA THR A 80 2.149 -2.848 12.943 1.00 0.00 C ATOM 1197 C THR A 80 1.696 -4.231 13.490 1.00 0.00 C ATOM 1198 O THR A 80 1.890 -5.238 12.803 1.00 0.00 O ATOM 1199 CB THR A 80 0.981 -2.156 12.139 1.00 0.00 C ATOM 1200 OG1 THR A 80 1.411 -0.871 11.639 1.00 0.00 O ATOM 1201 CG2 THR A 80 -0.271 -1.954 12.975 1.00 0.00 C ATOM 0 H THR A 80 3.080 -2.947 11.070 1.00 0.00 H new ATOM 0 HA THR A 80 2.422 -2.187 13.765 1.00 0.00 H new ATOM 0 HB THR A 80 0.735 -2.828 11.317 1.00 0.00 H new ATOM 0 HG1 THR A 80 2.389 -0.856 11.574 1.00 0.00 H new ATOM 0 HG21 THR A 80 -1.040 -1.474 12.369 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.635 -2.920 13.324 1.00 0.00 H new ATOM 0 HG23 THR A 80 -0.038 -1.322 13.832 1.00 0.00 H new ATOM 1209 N PRO A 81 1.225 -4.347 14.751 1.00 0.00 N ATOM 1210 CA PRO A 81 0.650 -5.598 15.229 1.00 0.00 C ATOM 1211 C PRO A 81 -0.647 -5.866 14.493 1.00 0.00 C ATOM 1212 O PRO A 81 -1.513 -4.984 14.357 1.00 0.00 O ATOM 1213 CB PRO A 81 0.393 -5.362 16.702 1.00 0.00 C ATOM 1214 CG PRO A 81 0.296 -3.898 16.823 1.00 0.00 C ATOM 1215 CD PRO A 81 1.248 -3.325 15.806 1.00 0.00 C ATOM 0 HA PRO A 81 1.299 -6.459 15.065 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -0.525 -5.850 17.029 1.00 0.00 H new ATOM 0 HB3 PRO A 81 1.201 -5.759 17.316 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -0.723 -3.559 16.636 1.00 0.00 H new ATOM 0 HG3 PRO A 81 0.560 -3.573 17.829 1.00 0.00 H new ATOM 0 HD2 PRO A 81 0.916 -2.354 15.439 1.00 0.00 H new ATOM 0 HD3 PRO A 81 2.248 -3.186 16.217 1.00 0.00 H new ATOM 1223 N ARG A 82 -0.784 -7.048 14.036 1.00 0.00 N ATOM 1224 CA ARG A 82 -1.882 -7.408 13.147 1.00 0.00 C ATOM 1225 C ARG A 82 -2.465 -8.737 13.569 1.00 0.00 C ATOM 1226 O ARG A 82 -1.768 -9.565 14.168 1.00 0.00 O ATOM 1227 CB ARG A 82 -1.346 -7.627 11.739 1.00 0.00 C ATOM 1228 CG ARG A 82 -0.247 -6.693 11.302 1.00 0.00 C ATOM 1229 CD ARG A 82 0.380 -7.168 10.006 1.00 0.00 C ATOM 1230 NE ARG A 82 0.717 -8.611 10.081 1.00 0.00 N ATOM 1231 CZ ARG A 82 1.950 -9.153 10.057 1.00 0.00 C ATOM 1232 NH1 ARG A 82 3.037 -8.385 10.055 1.00 0.00 N ATOM 1233 NH2 ARG A 82 2.084 -10.473 10.084 1.00 0.00 N ATOM 0 H ARG A 82 -0.150 -7.817 14.252 1.00 0.00 H new ATOM 0 HA ARG A 82 -2.623 -6.609 13.184 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -0.978 -8.650 11.666 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -2.175 -7.536 11.037 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -0.649 -5.688 11.170 1.00 0.00 H new ATOM 0 HG3 ARG A 82 0.515 -6.632 12.079 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -0.308 -6.993 9.179 1.00 0.00 H new ATOM 0 HD3 ARG A 82 1.281 -6.590 9.799 1.00 0.00 H new ATOM 0 HE ARG A 82 -0.066 -9.260 10.159 1.00 0.00 H new ATOM 0 HH11 ARG A 82 2.944 -7.369 10.072 1.00 0.00 H new ATOM 0 HH12 ARG A 82 3.963 -8.812 10.037 1.00 0.00 H new ATOM 0 HH21 ARG A 82 1.257 -11.069 10.123 1.00 0.00 H new ATOM 0 HH22 ARG A 82 3.014 -10.892 10.066 1.00 0.00 H new ATOM 1247 N SER A 83 -3.693 -8.966 13.226 1.00 0.00 N ATOM 1248 CA SER A 83 -4.310 -10.238 13.468 1.00 0.00 C ATOM 1249 C SER A 83 -4.157 -11.151 12.225 1.00 0.00 C ATOM 1250 O SER A 83 -4.231 -12.375 12.315 1.00 0.00 O ATOM 1251 CB SER A 83 -5.766 -10.017 13.884 1.00 0.00 C ATOM 1252 OG SER A 83 -6.362 -8.994 13.088 1.00 0.00 O ATOM 0 H SER A 83 -4.297 -8.281 12.772 1.00 0.00 H new ATOM 0 HA SER A 83 -3.814 -10.757 14.288 1.00 0.00 H new ATOM 0 HB2 SER A 83 -6.327 -10.945 13.774 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.812 -9.740 14.937 1.00 0.00 H new ATOM 0 HG SER A 83 -7.034 -9.391 12.495 1.00 0.00 H new ATOM 1258 N GLU A 84 -3.907 -10.536 11.075 1.00 0.00 N ATOM 1259 CA GLU A 84 -3.682 -11.260 9.841 1.00 0.00 C ATOM 1260 C GLU A 84 -2.335 -10.838 9.292 1.00 0.00 C ATOM 1261 O GLU A 84 -1.827 -9.784 9.674 1.00 0.00 O ATOM 1262 CB GLU A 84 -4.725 -10.915 8.772 1.00 0.00 C ATOM 1263 CG GLU A 84 -6.195 -11.047 9.134 1.00 0.00 C ATOM 1264 CD GLU A 84 -6.708 -9.906 9.980 1.00 0.00 C ATOM 1265 OE1 GLU A 84 -6.499 -8.707 9.607 1.00 0.00 O ATOM 1266 OE2 GLU A 84 -7.359 -10.170 11.002 1.00 0.00 O ATOM 0 H GLU A 84 -3.856 -9.522 10.977 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.739 -12.326 10.062 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -4.551 -9.886 8.457 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.537 -11.550 7.906 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.784 -11.104 8.218 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.347 -11.984 9.670 1.00 0.00 H new ATOM 1273 N PRO A 85 -1.710 -11.598 8.396 1.00 0.00 N ATOM 1274 CA PRO A 85 -0.492 -11.156 7.781 1.00 0.00 C ATOM 1275 C PRO A 85 -0.764 -10.233 6.627 1.00 0.00 C ATOM 1276 O PRO A 85 -1.046 -10.639 5.491 1.00 0.00 O ATOM 1277 CB PRO A 85 0.149 -12.409 7.301 1.00 0.00 C ATOM 1278 CG PRO A 85 -1.003 -13.223 6.896 1.00 0.00 C ATOM 1279 CD PRO A 85 -2.074 -12.961 7.934 1.00 0.00 C ATOM 0 HA PRO A 85 0.135 -10.595 8.474 1.00 0.00 H new ATOM 0 HB2 PRO A 85 0.827 -12.224 6.468 1.00 0.00 H new ATOM 0 HB3 PRO A 85 0.731 -12.893 8.085 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -1.347 -12.946 5.900 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -0.742 -14.281 6.861 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -3.076 -12.996 7.507 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -2.047 -13.690 8.744 1.00 0.00 H new ATOM 1287 N HIS A 86 -0.723 -9.010 6.912 1.00 0.00 N ATOM 1288 CA HIS A 86 -0.875 -7.999 5.895 1.00 0.00 C ATOM 1289 C HIS A 86 0.457 -7.837 5.196 1.00 0.00 C ATOM 1290 O HIS A 86 1.068 -6.780 5.228 1.00 0.00 O ATOM 1291 CB HIS A 86 -1.358 -6.672 6.498 1.00 0.00 C ATOM 1292 CG HIS A 86 -2.767 -6.706 7.054 1.00 0.00 C ATOM 1293 ND1 HIS A 86 -3.644 -5.696 6.799 1.00 0.00 N ATOM 1294 CD2 HIS A 86 -3.377 -7.635 7.841 1.00 0.00 C ATOM 1295 CE1 HIS A 86 -4.772 -6.019 7.425 1.00 0.00 C ATOM 1296 NE2 HIS A 86 -4.651 -7.192 8.069 1.00 0.00 N ATOM 0 H HIS A 86 -0.583 -8.646 7.855 1.00 0.00 H new ATOM 0 HA HIS A 86 -1.635 -8.305 5.175 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -0.674 -6.380 7.295 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -1.303 -5.899 5.732 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -2.938 -8.548 8.214 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -5.669 -5.417 7.417 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -5.369 -7.661 8.621 1.00 0.00 H new ATOM 1304 N CYS A 87 0.910 -8.920 4.590 1.00 0.00 N ATOM 1305 CA CYS A 87 2.237 -8.952 4.020 1.00 0.00 C ATOM 1306 C CYS A 87 2.270 -8.757 2.539 1.00 0.00 C ATOM 1307 O CYS A 87 3.322 -8.932 1.907 1.00 0.00 O ATOM 1308 CB CYS A 87 2.905 -10.261 4.370 1.00 0.00 C ATOM 1309 SG CYS A 87 1.854 -11.728 4.158 1.00 0.00 S ATOM 0 H CYS A 87 0.378 -9.784 4.482 1.00 0.00 H new ATOM 0 HA CYS A 87 2.774 -8.108 4.452 1.00 0.00 H new ATOM 0 HB2 CYS A 87 3.795 -10.376 3.752 1.00 0.00 H new ATOM 0 HB3 CYS A 87 3.240 -10.217 5.406 1.00 0.00 H new ATOM 0 HG CYS A 87 2.337 -12.712 4.857 1.00 0.00 H new ATOM 1315 N LEU A 88 1.165 -8.395 1.991 1.00 0.00 N ATOM 1316 CA LEU A 88 1.049 -8.242 0.575 1.00 0.00 C ATOM 1317 C LEU A 88 0.703 -6.888 0.208 1.00 0.00 C ATOM 1318 O LEU A 88 -0.241 -6.318 0.732 1.00 0.00 O ATOM 1319 CB LEU A 88 0.117 -9.253 -0.035 1.00 0.00 C ATOM 1320 CG LEU A 88 0.767 -10.576 -0.243 1.00 0.00 C ATOM 1321 CD1 LEU A 88 -0.166 -11.626 -0.730 1.00 0.00 C ATOM 1322 CD2 LEU A 88 1.928 -10.475 -1.182 1.00 0.00 C ATOM 0 H LEU A 88 0.310 -8.195 2.509 1.00 0.00 H new ATOM 0 HA LEU A 88 2.035 -8.442 0.155 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.752 -9.377 0.611 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.247 -8.876 -0.991 1.00 0.00 H new ATOM 0 HG LEU A 88 1.116 -10.879 0.744 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.376 -12.563 -0.859 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.966 -11.767 -0.004 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.593 -11.319 -1.685 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.379 -11.459 -1.311 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.584 -10.104 -2.148 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.668 -9.788 -0.773 1.00 0.00 H new ATOM 1334 N VAL A 89 1.501 -6.355 -0.669 1.00 0.00 N ATOM 1335 CA VAL A 89 1.295 -5.049 -1.203 1.00 0.00 C ATOM 1336 C VAL A 89 1.621 -5.079 -2.686 1.00 0.00 C ATOM 1337 O VAL A 89 2.458 -5.870 -3.119 1.00 0.00 O ATOM 1338 CB VAL A 89 2.203 -3.973 -0.525 1.00 0.00 C ATOM 1339 CG1 VAL A 89 1.912 -3.808 0.951 1.00 0.00 C ATOM 1340 CG2 VAL A 89 3.659 -4.298 -0.728 1.00 0.00 C ATOM 0 H VAL A 89 2.327 -6.827 -1.037 1.00 0.00 H new ATOM 0 HA VAL A 89 0.256 -4.776 -1.017 1.00 0.00 H new ATOM 0 HB VAL A 89 1.972 -3.024 -1.010 1.00 0.00 H new ATOM 0 HG11 VAL A 89 2.572 -3.048 1.369 1.00 0.00 H new ATOM 0 HG12 VAL A 89 0.875 -3.501 1.085 1.00 0.00 H new ATOM 0 HG13 VAL A 89 2.079 -4.756 1.463 1.00 0.00 H new ATOM 0 HG21 VAL A 89 4.272 -3.536 -0.248 1.00 0.00 H new ATOM 0 HG22 VAL A 89 3.879 -5.271 -0.289 1.00 0.00 H new ATOM 0 HG23 VAL A 89 3.881 -4.323 -1.795 1.00 0.00 H new ATOM 1350 N LEU A 90 0.923 -4.327 -3.468 1.00 0.00 N ATOM 1351 CA LEU A 90 1.320 -4.147 -4.820 1.00 0.00 C ATOM 1352 C LEU A 90 1.803 -2.743 -4.965 1.00 0.00 C ATOM 1353 O LEU A 90 1.462 -1.878 -4.161 1.00 0.00 O ATOM 1354 CB LEU A 90 0.203 -4.508 -5.859 1.00 0.00 C ATOM 1355 CG LEU A 90 -1.024 -3.580 -5.995 1.00 0.00 C ATOM 1356 CD1 LEU A 90 -0.697 -2.334 -6.753 1.00 0.00 C ATOM 1357 CD2 LEU A 90 -2.203 -4.269 -6.647 1.00 0.00 C ATOM 0 H LEU A 90 0.076 -3.829 -3.194 1.00 0.00 H new ATOM 0 HA LEU A 90 2.122 -4.848 -5.050 1.00 0.00 H new ATOM 0 HB2 LEU A 90 0.675 -4.574 -6.839 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -0.164 -5.505 -5.614 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.305 -3.313 -4.976 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -1.587 -1.709 -6.826 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.089 -1.787 -6.232 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.354 -2.596 -7.754 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.038 -3.572 -6.718 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.923 -4.602 -7.646 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.499 -5.130 -6.047 1.00 0.00 H new ATOM 1369 N SER A 91 2.550 -2.509 -5.954 1.00 0.00 N ATOM 1370 CA SER A 91 3.116 -1.222 -6.191 1.00 0.00 C ATOM 1371 C SER A 91 2.255 -0.471 -7.198 1.00 0.00 C ATOM 1372 O SER A 91 1.869 -1.035 -8.219 1.00 0.00 O ATOM 1373 CB SER A 91 4.506 -1.417 -6.788 1.00 0.00 C ATOM 1374 OG SER A 91 4.400 -1.867 -8.099 1.00 0.00 O ATOM 0 H SER A 91 2.803 -3.211 -6.650 1.00 0.00 H new ATOM 0 HA SER A 91 3.170 -0.658 -5.260 1.00 0.00 H new ATOM 0 HB2 SER A 91 5.058 -0.477 -6.761 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.069 -2.135 -6.192 1.00 0.00 H new ATOM 0 HG SER A 91 3.454 -1.920 -8.351 1.00 0.00 H new ATOM 1380 N LEU A 92 2.008 0.768 -6.954 1.00 0.00 N ATOM 1381 CA LEU A 92 1.260 1.607 -7.880 1.00 0.00 C ATOM 1382 C LEU A 92 2.198 2.308 -8.827 1.00 0.00 C ATOM 1383 O LEU A 92 1.824 3.230 -9.543 1.00 0.00 O ATOM 1384 CB LEU A 92 0.465 2.604 -7.079 1.00 0.00 C ATOM 1385 CG LEU A 92 -0.687 1.987 -6.329 1.00 0.00 C ATOM 1386 CD1 LEU A 92 -1.141 2.872 -5.242 1.00 0.00 C ATOM 1387 CD2 LEU A 92 -1.819 1.770 -7.266 1.00 0.00 C ATOM 0 H LEU A 92 2.312 1.249 -6.108 1.00 0.00 H new ATOM 0 HA LEU A 92 0.585 0.995 -8.478 1.00 0.00 H new ATOM 0 HB2 LEU A 92 1.127 3.099 -6.369 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.082 3.374 -7.749 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.353 1.042 -5.901 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.973 2.404 -4.716 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.321 3.042 -4.545 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -1.466 3.825 -5.660 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.656 1.324 -6.729 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -2.128 2.725 -7.690 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -1.505 1.102 -8.068 1.00 0.00 H new ATOM 1399 N ASP A 93 3.406 1.835 -8.843 1.00 0.00 N ATOM 1400 CA ASP A 93 4.450 2.425 -9.629 1.00 0.00 C ATOM 1401 C ASP A 93 4.933 1.456 -10.677 1.00 0.00 C ATOM 1402 O ASP A 93 4.944 1.768 -11.866 1.00 0.00 O ATOM 1403 CB ASP A 93 5.614 2.857 -8.730 1.00 0.00 C ATOM 1404 CG ASP A 93 5.255 3.991 -7.789 1.00 0.00 C ATOM 1405 OD1 ASP A 93 4.576 3.746 -6.770 1.00 0.00 O ATOM 1406 OD2 ASP A 93 5.653 5.161 -8.067 1.00 0.00 O ATOM 0 H ASP A 93 3.700 1.020 -8.305 1.00 0.00 H new ATOM 0 HA ASP A 93 4.049 3.306 -10.130 1.00 0.00 H new ATOM 0 HB2 ASP A 93 5.950 2.001 -8.145 1.00 0.00 H new ATOM 0 HB3 ASP A 93 6.452 3.164 -9.355 1.00 0.00 H new ATOM 1411 N ASN A 94 5.300 0.265 -10.236 1.00 0.00 N ATOM 1412 CA ASN A 94 5.843 -0.778 -11.131 1.00 0.00 C ATOM 1413 C ASN A 94 4.789 -1.818 -11.398 1.00 0.00 C ATOM 1414 O ASN A 94 4.987 -2.746 -12.198 1.00 0.00 O ATOM 1415 CB ASN A 94 7.053 -1.483 -10.474 1.00 0.00 C ATOM 1416 CG ASN A 94 8.287 -0.616 -10.271 1.00 0.00 C ATOM 1417 OD1 ASN A 94 8.210 0.611 -10.151 1.00 0.00 O ATOM 1418 ND2 ASN A 94 9.428 -1.247 -10.179 1.00 0.00 N ATOM 0 H ASN A 94 5.236 -0.018 -9.258 1.00 0.00 H new ATOM 0 HA ASN A 94 6.154 -0.298 -12.059 1.00 0.00 H new ATOM 0 HB2 ASN A 94 6.741 -1.873 -9.505 1.00 0.00 H new ATOM 0 HB3 ASN A 94 7.330 -2.340 -11.089 1.00 0.00 H new ATOM 0 HD21 ASN A 94 10.287 -0.725 -10.004 1.00 0.00 H new ATOM 0 HD22 ASN A 94 9.460 -2.261 -10.283 1.00 0.00 H new ATOM 1425 N TRP A 95 3.677 -1.670 -10.697 1.00 0.00 N ATOM 1426 CA TRP A 95 2.578 -2.613 -10.719 1.00 0.00 C ATOM 1427 C TRP A 95 3.032 -4.028 -10.432 1.00 0.00 C ATOM 1428 O TRP A 95 2.590 -4.960 -11.077 1.00 0.00 O ATOM 1429 CB TRP A 95 1.781 -2.517 -12.008 1.00 0.00 C ATOM 1430 CG TRP A 95 0.952 -1.292 -12.053 1.00 0.00 C ATOM 1431 CD1 TRP A 95 1.190 -0.159 -12.760 1.00 0.00 C ATOM 1432 CD2 TRP A 95 -0.244 -1.065 -11.311 1.00 0.00 C ATOM 1433 NE1 TRP A 95 0.184 0.740 -12.539 1.00 0.00 N ATOM 1434 CE2 TRP A 95 -0.705 0.212 -11.646 1.00 0.00 C ATOM 1435 CE3 TRP A 95 -0.980 -1.835 -10.406 1.00 0.00 C ATOM 1436 CZ2 TRP A 95 -1.868 0.748 -11.106 1.00 0.00 C ATOM 1437 CZ3 TRP A 95 -2.128 -1.305 -9.868 1.00 0.00 C ATOM 1438 CH2 TRP A 95 -2.563 -0.029 -10.219 1.00 0.00 C ATOM 0 H TRP A 95 3.513 -0.872 -10.084 1.00 0.00 H new ATOM 0 HA TRP A 95 1.905 -2.335 -9.908 1.00 0.00 H new ATOM 0 HB2 TRP A 95 2.463 -2.525 -12.858 1.00 0.00 H new ATOM 0 HB3 TRP A 95 1.140 -3.393 -12.105 1.00 0.00 H new ATOM 0 HD1 TRP A 95 2.044 0.007 -13.400 1.00 0.00 H new ATOM 0 HE1 TRP A 95 0.109 1.660 -12.973 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -0.653 -2.828 -10.135 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -2.209 1.737 -11.375 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -2.702 -1.887 -9.162 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -3.471 0.357 -9.780 1.00 0.00 H new ATOM 1449 N SER A 96 3.921 -4.181 -9.468 1.00 0.00 N ATOM 1450 CA SER A 96 4.381 -5.479 -9.092 1.00 0.00 C ATOM 1451 C SER A 96 3.866 -5.763 -7.724 1.00 0.00 C ATOM 1452 O SER A 96 3.239 -4.899 -7.114 1.00 0.00 O ATOM 1453 CB SER A 96 5.878 -5.517 -9.075 1.00 0.00 C ATOM 1454 OG SER A 96 6.391 -4.957 -10.282 1.00 0.00 O ATOM 0 H SER A 96 4.332 -3.413 -8.938 1.00 0.00 H new ATOM 0 HA SER A 96 4.026 -6.222 -9.806 1.00 0.00 H new ATOM 0 HB2 SER A 96 6.255 -4.961 -8.217 1.00 0.00 H new ATOM 0 HB3 SER A 96 6.223 -6.545 -8.965 1.00 0.00 H new ATOM 0 HG SER A 96 7.370 -4.983 -10.264 1.00 0.00 H new ATOM 1460 N VAL A 97 4.115 -6.928 -7.243 1.00 0.00 N ATOM 1461 CA VAL A 97 3.677 -7.293 -5.950 1.00 0.00 C ATOM 1462 C VAL A 97 4.881 -7.517 -5.058 1.00 0.00 C ATOM 1463 O VAL A 97 5.910 -7.958 -5.532 1.00 0.00 O ATOM 1464 CB VAL A 97 2.802 -8.556 -6.034 1.00 0.00 C ATOM 1465 CG1 VAL A 97 2.596 -9.157 -4.711 1.00 0.00 C ATOM 1466 CG2 VAL A 97 1.465 -8.233 -6.595 1.00 0.00 C ATOM 0 H VAL A 97 4.630 -7.655 -7.739 1.00 0.00 H new ATOM 0 HA VAL A 97 3.073 -6.493 -5.521 1.00 0.00 H new ATOM 0 HB VAL A 97 3.329 -9.258 -6.680 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.974 -10.047 -4.808 1.00 0.00 H new ATOM 0 HG12 VAL A 97 3.560 -9.433 -4.283 1.00 0.00 H new ATOM 0 HG13 VAL A 97 2.101 -8.438 -4.058 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.863 -9.140 -6.646 1.00 0.00 H new ATOM 0 HG22 VAL A 97 0.969 -7.503 -5.955 1.00 0.00 H new ATOM 0 HG23 VAL A 97 1.581 -7.818 -7.596 1.00 0.00 H new ATOM 1476 N TRP A 98 4.762 -7.184 -3.810 1.00 0.00 N ATOM 1477 CA TRP A 98 5.789 -7.456 -2.867 1.00 0.00 C ATOM 1478 C TRP A 98 5.172 -8.250 -1.748 1.00 0.00 C ATOM 1479 O TRP A 98 4.045 -7.915 -1.278 1.00 0.00 O ATOM 1480 CB TRP A 98 6.438 -6.195 -2.292 1.00 0.00 C ATOM 1481 CG TRP A 98 7.664 -6.538 -1.515 1.00 0.00 C ATOM 1482 CD1 TRP A 98 7.760 -6.766 -0.171 1.00 0.00 C ATOM 1483 CD2 TRP A 98 8.960 -6.746 -2.053 1.00 0.00 C ATOM 1484 NE1 TRP A 98 9.041 -7.124 0.146 1.00 0.00 N ATOM 1485 CE2 TRP A 98 9.796 -7.111 -0.992 1.00 0.00 C ATOM 1486 CE3 TRP A 98 9.495 -6.659 -3.337 1.00 0.00 C ATOM 1487 CZ2 TRP A 98 11.130 -7.396 -1.170 1.00 0.00 C ATOM 1488 CZ3 TRP A 98 10.829 -6.938 -3.518 1.00 0.00 C ATOM 1489 CH2 TRP A 98 11.635 -7.307 -2.439 1.00 0.00 C ATOM 0 H TRP A 98 3.945 -6.714 -3.420 1.00 0.00 H new ATOM 0 HA TRP A 98 6.583 -8.002 -3.377 1.00 0.00 H new ATOM 0 HB2 TRP A 98 6.694 -5.511 -3.101 1.00 0.00 H new ATOM 0 HB3 TRP A 98 5.728 -5.676 -1.649 1.00 0.00 H new ATOM 0 HD1 TRP A 98 6.947 -6.677 0.534 1.00 0.00 H new ATOM 0 HE1 TRP A 98 9.377 -7.362 1.079 1.00 0.00 H new ATOM 0 HE3 TRP A 98 8.873 -6.378 -4.174 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 11.757 -7.680 -0.338 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 11.259 -6.871 -4.507 1.00 0.00 H new ATOM 0 HH2 TRP A 98 12.679 -7.527 -2.609 1.00 0.00 H new ATOM 1500 N CYS A 99 5.856 -9.303 -1.331 1.00 0.00 N ATOM 1501 CA CYS A 99 5.402 -10.066 -0.206 1.00 0.00 C ATOM 1502 C CYS A 99 6.461 -9.991 0.814 1.00 0.00 C ATOM 1503 O CYS A 99 7.559 -10.474 0.589 1.00 0.00 O ATOM 1504 CB CYS A 99 5.088 -11.527 -0.564 1.00 0.00 C ATOM 1505 SG CYS A 99 4.645 -12.582 0.841 1.00 0.00 S ATOM 0 H CYS A 99 6.720 -9.638 -1.758 1.00 0.00 H new ATOM 0 HA CYS A 99 4.463 -9.651 0.161 1.00 0.00 H new ATOM 0 HB2 CYS A 99 4.268 -11.541 -1.282 1.00 0.00 H new ATOM 0 HB3 CYS A 99 5.956 -11.958 -1.063 1.00 0.00 H new ATOM 0 HG CYS A 99 5.184 -13.755 0.689 1.00 0.00 H new ATOM 1510 N TYR A 100 6.143 -9.410 1.931 1.00 0.00 N ATOM 1511 CA TYR A 100 7.140 -9.170 2.973 1.00 0.00 C ATOM 1512 C TYR A 100 7.650 -10.457 3.568 1.00 0.00 C ATOM 1513 O TYR A 100 8.824 -10.582 3.887 1.00 0.00 O ATOM 1514 CB TYR A 100 6.590 -8.319 4.081 1.00 0.00 C ATOM 1515 CG TYR A 100 6.209 -6.922 3.717 1.00 0.00 C ATOM 1516 CD1 TYR A 100 7.172 -5.931 3.578 1.00 0.00 C ATOM 1517 CD2 TYR A 100 4.886 -6.584 3.559 1.00 0.00 C ATOM 1518 CE1 TYR A 100 6.820 -4.633 3.284 1.00 0.00 C ATOM 1519 CE2 TYR A 100 4.517 -5.287 3.256 1.00 0.00 C ATOM 1520 CZ TYR A 100 5.491 -4.314 3.121 1.00 0.00 C ATOM 1521 OH TYR A 100 5.135 -3.023 2.833 1.00 0.00 O ATOM 0 H TYR A 100 5.203 -9.087 2.160 1.00 0.00 H new ATOM 0 HA TYR A 100 7.963 -8.647 2.486 1.00 0.00 H new ATOM 0 HB2 TYR A 100 5.711 -8.817 4.491 1.00 0.00 H new ATOM 0 HB3 TYR A 100 7.332 -8.274 4.878 1.00 0.00 H new ATOM 0 HD1 TYR A 100 8.215 -6.183 3.703 1.00 0.00 H new ATOM 0 HD2 TYR A 100 4.125 -7.342 3.673 1.00 0.00 H new ATOM 0 HE1 TYR A 100 7.580 -3.872 3.182 1.00 0.00 H new ATOM 0 HE2 TYR A 100 3.475 -5.035 3.125 1.00 0.00 H new ATOM 0 HH TYR A 100 4.664 -2.997 1.974 1.00 0.00 H new ATOM 1531 N VAL A 101 6.785 -11.427 3.665 1.00 0.00 N ATOM 1532 CA VAL A 101 7.149 -12.674 4.300 1.00 0.00 C ATOM 1533 C VAL A 101 7.872 -13.598 3.303 1.00 0.00 C ATOM 1534 O VAL A 101 8.650 -14.451 3.694 1.00 0.00 O ATOM 1535 CB VAL A 101 5.918 -13.353 4.949 1.00 0.00 C ATOM 1536 CG1 VAL A 101 4.874 -13.590 3.921 1.00 0.00 C ATOM 1537 CG2 VAL A 101 6.281 -14.647 5.676 1.00 0.00 C ATOM 0 H VAL A 101 5.827 -11.385 3.317 1.00 0.00 H new ATOM 0 HA VAL A 101 7.848 -12.461 5.109 1.00 0.00 H new ATOM 0 HB VAL A 101 5.525 -12.676 5.707 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.010 -14.068 4.383 1.00 0.00 H new ATOM 0 HG12 VAL A 101 4.571 -12.639 3.484 1.00 0.00 H new ATOM 0 HG13 VAL A 101 5.273 -14.238 3.140 1.00 0.00 H new ATOM 0 HG21 VAL A 101 5.383 -15.083 6.113 1.00 0.00 H new ATOM 0 HG22 VAL A 101 6.719 -15.351 4.969 1.00 0.00 H new ATOM 0 HG23 VAL A 101 7.001 -14.431 6.466 1.00 0.00 H new ATOM 1547 N CYS A 102 7.645 -13.386 1.999 1.00 0.00 N ATOM 1548 CA CYS A 102 8.386 -14.138 1.003 1.00 0.00 C ATOM 1549 C CYS A 102 9.693 -13.432 0.815 1.00 0.00 C ATOM 1550 O CYS A 102 10.702 -14.032 0.464 1.00 0.00 O ATOM 1551 CB CYS A 102 7.665 -14.181 -0.337 1.00 0.00 C ATOM 1552 SG CYS A 102 6.459 -15.489 -0.585 1.00 0.00 S ATOM 0 H CYS A 102 6.971 -12.717 1.626 1.00 0.00 H new ATOM 0 HA CYS A 102 8.505 -15.166 1.345 1.00 0.00 H new ATOM 0 HB2 CYS A 102 7.160 -13.226 -0.478 1.00 0.00 H new ATOM 0 HB3 CYS A 102 8.417 -14.263 -1.122 1.00 0.00 H new ATOM 0 HG CYS A 102 5.306 -14.966 -0.879 1.00 0.00 H new ATOM 1557 N ASP A 103 9.618 -12.135 1.054 1.00 0.00 N ATOM 1558 CA ASP A 103 10.724 -11.205 0.960 1.00 0.00 C ATOM 1559 C ASP A 103 11.275 -11.187 -0.447 1.00 0.00 C ATOM 1560 O ASP A 103 12.468 -11.368 -0.695 1.00 0.00 O ATOM 1561 CB ASP A 103 11.790 -11.481 2.031 1.00 0.00 C ATOM 1562 CG ASP A 103 12.952 -10.501 2.021 1.00 0.00 C ATOM 1563 OD1 ASP A 103 12.730 -9.275 2.208 1.00 0.00 O ATOM 1564 OD2 ASP A 103 14.113 -10.952 1.880 1.00 0.00 O ATOM 0 H ASP A 103 8.746 -11.684 1.331 1.00 0.00 H new ATOM 0 HA ASP A 103 10.358 -10.200 1.170 1.00 0.00 H new ATOM 0 HB2 ASP A 103 11.317 -11.457 3.013 1.00 0.00 H new ATOM 0 HB3 ASP A 103 12.179 -12.489 1.889 1.00 0.00 H new ATOM 1569 N ASN A 104 10.374 -11.026 -1.386 1.00 0.00 N ATOM 1570 CA ASN A 104 10.715 -10.901 -2.737 1.00 0.00 C ATOM 1571 C ASN A 104 9.541 -10.224 -3.443 1.00 0.00 C ATOM 1572 O ASN A 104 8.455 -9.969 -2.813 1.00 0.00 O ATOM 1573 CB ASN A 104 10.956 -12.275 -3.355 1.00 0.00 C ATOM 1574 CG ASN A 104 9.684 -13.026 -3.491 1.00 0.00 C ATOM 1575 OD1 ASN A 104 9.312 -13.792 -2.642 1.00 0.00 O ATOM 1576 ND2 ASN A 104 9.029 -12.824 -4.558 1.00 0.00 N ATOM 0 H ASN A 104 9.371 -10.981 -1.204 1.00 0.00 H new ATOM 0 HA ASN A 104 11.629 -10.316 -2.843 1.00 0.00 H new ATOM 0 HB2 ASN A 104 11.422 -12.161 -4.334 1.00 0.00 H new ATOM 0 HB3 ASN A 104 11.652 -12.840 -2.735 1.00 0.00 H new ATOM 0 HD21 ASN A 104 8.152 -13.320 -4.720 1.00 0.00 H new ATOM 0 HD22 ASN A 104 9.379 -12.166 -5.254 1.00 0.00 H new ATOM 1583 N GLU A 105 9.726 -10.007 -4.727 1.00 0.00 N ATOM 1584 CA GLU A 105 8.753 -9.430 -5.589 1.00 0.00 C ATOM 1585 C GLU A 105 7.943 -10.549 -6.214 1.00 0.00 C ATOM 1586 O GLU A 105 8.515 -11.432 -6.848 1.00 0.00 O ATOM 1587 CB GLU A 105 9.515 -8.715 -6.646 1.00 0.00 C ATOM 1588 CG GLU A 105 8.710 -7.662 -7.330 1.00 0.00 C ATOM 1589 CD GLU A 105 9.559 -6.692 -8.121 1.00 0.00 C ATOM 1590 OE1 GLU A 105 10.081 -5.710 -7.537 1.00 0.00 O ATOM 1591 OE2 GLU A 105 9.733 -6.888 -9.340 1.00 0.00 O ATOM 0 H GLU A 105 10.596 -10.241 -5.204 1.00 0.00 H new ATOM 0 HA GLU A 105 8.078 -8.755 -5.062 1.00 0.00 H new ATOM 0 HB2 GLU A 105 10.400 -8.258 -6.203 1.00 0.00 H new ATOM 0 HB3 GLU A 105 9.865 -9.436 -7.385 1.00 0.00 H new ATOM 0 HG2 GLU A 105 7.992 -8.138 -7.999 1.00 0.00 H new ATOM 0 HG3 GLU A 105 8.135 -7.111 -6.586 1.00 0.00 H new ATOM 1598 N VAL A 106 6.657 -10.523 -6.050 1.00 0.00 N ATOM 1599 CA VAL A 106 5.838 -11.654 -6.418 1.00 0.00 C ATOM 1600 C VAL A 106 5.422 -11.644 -7.883 1.00 0.00 C ATOM 1601 O VAL A 106 5.078 -10.581 -8.465 1.00 0.00 O ATOM 1602 CB VAL A 106 4.598 -11.822 -5.498 1.00 0.00 C ATOM 1603 CG1 VAL A 106 3.906 -13.152 -5.769 1.00 0.00 C ATOM 1604 CG2 VAL A 106 5.019 -11.758 -4.048 1.00 0.00 C ATOM 0 H VAL A 106 6.143 -9.732 -5.663 1.00 0.00 H new ATOM 0 HA VAL A 106 6.481 -12.522 -6.272 1.00 0.00 H new ATOM 0 HB VAL A 106 3.900 -11.012 -5.710 1.00 0.00 H new ATOM 0 HG11 VAL A 106 3.040 -13.251 -5.115 1.00 0.00 H new ATOM 0 HG12 VAL A 106 3.581 -13.188 -6.809 1.00 0.00 H new ATOM 0 HG13 VAL A 106 4.601 -13.969 -5.577 1.00 0.00 H new ATOM 0 HG21 VAL A 106 4.144 -11.877 -3.409 1.00 0.00 H new ATOM 0 HG22 VAL A 106 5.731 -12.557 -3.840 1.00 0.00 H new ATOM 0 HG23 VAL A 106 5.487 -10.794 -3.847 1.00 0.00 H new ATOM 1614 N GLN A 107 5.467 -12.841 -8.438 1.00 0.00 N ATOM 1615 CA GLN A 107 5.118 -13.177 -9.774 1.00 0.00 C ATOM 1616 C GLN A 107 3.801 -13.972 -9.758 1.00 0.00 C ATOM 1617 O GLN A 107 3.725 -15.118 -9.307 1.00 0.00 O ATOM 1618 CB GLN A 107 6.263 -13.968 -10.484 1.00 0.00 C ATOM 1619 CG GLN A 107 6.797 -15.211 -9.733 1.00 0.00 C ATOM 1620 CD GLN A 107 7.647 -14.878 -8.508 1.00 0.00 C ATOM 1621 OE1 GLN A 107 8.329 -13.864 -8.473 1.00 0.00 O ATOM 1622 NE2 GLN A 107 7.584 -15.703 -7.495 1.00 0.00 N ATOM 0 H GLN A 107 5.776 -13.657 -7.909 1.00 0.00 H new ATOM 0 HA GLN A 107 4.976 -12.263 -10.350 1.00 0.00 H new ATOM 0 HB2 GLN A 107 5.905 -14.286 -11.463 1.00 0.00 H new ATOM 0 HB3 GLN A 107 7.096 -13.286 -10.656 1.00 0.00 H new ATOM 0 HG2 GLN A 107 5.952 -15.825 -9.421 1.00 0.00 H new ATOM 0 HG3 GLN A 107 7.390 -15.812 -10.422 1.00 0.00 H new ATOM 0 HE21 GLN A 107 7.006 -16.541 -7.555 1.00 0.00 H new ATOM 0 HE22 GLN A 107 8.113 -15.508 -6.645 1.00 0.00 H new ATOM 1631 N TYR A 108 2.794 -13.314 -10.166 1.00 0.00 N ATOM 1632 CA TYR A 108 1.432 -13.821 -10.219 1.00 0.00 C ATOM 1633 C TYR A 108 0.984 -14.012 -11.645 1.00 0.00 C ATOM 1634 O TYR A 108 1.487 -13.349 -12.562 1.00 0.00 O ATOM 1635 CB TYR A 108 0.498 -12.831 -9.510 1.00 0.00 C ATOM 1636 CG TYR A 108 0.770 -11.410 -9.896 1.00 0.00 C ATOM 1637 CD1 TYR A 108 1.688 -10.675 -9.187 1.00 0.00 C ATOM 1638 CD2 TYR A 108 0.156 -10.826 -10.987 1.00 0.00 C ATOM 1639 CE1 TYR A 108 2.009 -9.410 -9.544 1.00 0.00 C ATOM 1640 CE2 TYR A 108 0.455 -9.540 -11.354 1.00 0.00 C ATOM 1641 CZ TYR A 108 1.392 -8.835 -10.629 1.00 0.00 C ATOM 1642 OH TYR A 108 1.735 -7.571 -11.004 1.00 0.00 O ATOM 0 H TYR A 108 2.871 -12.352 -10.496 1.00 0.00 H new ATOM 0 HA TYR A 108 1.398 -14.789 -9.719 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -0.537 -13.077 -9.749 1.00 0.00 H new ATOM 0 HB3 TYR A 108 0.610 -12.939 -8.431 1.00 0.00 H new ATOM 0 HD1 TYR A 108 2.165 -11.117 -8.325 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -0.568 -11.389 -11.557 1.00 0.00 H new ATOM 0 HE1 TYR A 108 2.745 -8.856 -8.980 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -0.037 -9.084 -12.201 1.00 0.00 H new ATOM 0 HH TYR A 108 2.077 -7.081 -10.227 1.00 0.00 H new ATOM 1685 N ASN A 112 -4.247 -17.018 -11.173 1.00 0.00 N ATOM 1686 CA ASN A 112 -4.102 -17.086 -9.726 1.00 0.00 C ATOM 1687 C ASN A 112 -4.831 -15.911 -9.101 1.00 0.00 C ATOM 1688 O ASN A 112 -4.910 -14.851 -9.718 1.00 0.00 O ATOM 1689 CB ASN A 112 -2.614 -17.049 -9.327 1.00 0.00 C ATOM 1690 CG ASN A 112 -2.403 -17.131 -7.822 1.00 0.00 C ATOM 1691 OD1 ASN A 112 -2.384 -16.117 -7.134 1.00 0.00 O ATOM 1692 ND2 ASN A 112 -2.251 -18.320 -7.307 1.00 0.00 N ATOM 0 HA ASN A 112 -4.529 -18.023 -9.368 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -2.093 -17.877 -9.808 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -2.165 -16.129 -9.702 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -2.111 -18.427 -6.302 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -2.272 -19.143 -7.909 1.00 0.00 H new ATOM 1699 N GLN A 113 -5.346 -16.098 -7.879 1.00 0.00 N ATOM 1700 CA GLN A 113 -6.093 -15.063 -7.133 1.00 0.00 C ATOM 1701 C GLN A 113 -5.319 -13.738 -7.074 1.00 0.00 C ATOM 1702 O GLN A 113 -5.904 -12.655 -7.187 1.00 0.00 O ATOM 1703 CB GLN A 113 -6.346 -15.518 -5.691 1.00 0.00 C ATOM 1704 CG GLN A 113 -7.070 -14.473 -4.850 1.00 0.00 C ATOM 1705 CD GLN A 113 -7.074 -14.773 -3.368 1.00 0.00 C ATOM 1706 OE1 GLN A 113 -7.966 -15.431 -2.855 1.00 0.00 O ATOM 1707 NE2 GLN A 113 -6.094 -14.270 -2.675 1.00 0.00 N ATOM 0 H GLN A 113 -5.258 -16.978 -7.371 1.00 0.00 H new ATOM 0 HA GLN A 113 -7.034 -14.914 -7.662 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -6.934 -16.436 -5.704 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -5.393 -15.757 -5.220 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -6.602 -13.502 -5.013 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -8.100 -14.392 -5.197 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -5.367 -13.726 -3.140 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -6.053 -14.420 -1.667 1.00 0.00 H new ATOM 1716 N LEU A 114 -4.014 -13.826 -6.920 1.00 0.00 N ATOM 1717 CA LEU A 114 -3.178 -12.666 -6.794 1.00 0.00 C ATOM 1718 C LEU A 114 -3.167 -11.877 -8.090 1.00 0.00 C ATOM 1719 O LEU A 114 -3.318 -10.660 -8.077 1.00 0.00 O ATOM 1720 CB LEU A 114 -1.777 -13.112 -6.376 1.00 0.00 C ATOM 1721 CG LEU A 114 -0.715 -12.039 -6.203 1.00 0.00 C ATOM 1722 CD1 LEU A 114 -1.156 -10.976 -5.221 1.00 0.00 C ATOM 1723 CD2 LEU A 114 0.555 -12.675 -5.728 1.00 0.00 C ATOM 0 H LEU A 114 -3.508 -14.711 -6.879 1.00 0.00 H new ATOM 0 HA LEU A 114 -3.570 -12.000 -6.026 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -1.865 -13.652 -5.433 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -1.416 -13.824 -7.119 1.00 0.00 H new ATOM 0 HG LEU A 114 -0.554 -11.555 -7.166 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -0.372 -10.225 -5.122 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -2.069 -10.503 -5.583 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -1.345 -11.434 -4.250 1.00 0.00 H new ATOM 0 HD21 LEU A 114 1.320 -11.909 -5.602 1.00 0.00 H new ATOM 0 HD22 LEU A 114 0.378 -13.172 -4.774 1.00 0.00 H new ATOM 0 HD23 LEU A 114 0.892 -13.408 -6.462 1.00 0.00 H new ATOM 1735 N GLY A 115 -3.082 -12.582 -9.197 1.00 0.00 N ATOM 1736 CA GLY A 115 -3.129 -11.930 -10.482 1.00 0.00 C ATOM 1737 C GLY A 115 -4.506 -11.373 -10.756 1.00 0.00 C ATOM 1738 O GLY A 115 -4.633 -10.281 -11.302 1.00 0.00 O ATOM 0 H GLY A 115 -2.981 -13.596 -9.231 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -2.395 -11.125 -10.513 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -2.857 -12.639 -11.264 1.00 0.00 H new ATOM 1742 N GLN A 116 -5.544 -12.130 -10.383 1.00 0.00 N ATOM 1743 CA GLN A 116 -6.947 -11.697 -10.507 1.00 0.00 C ATOM 1744 C GLN A 116 -7.171 -10.388 -9.814 1.00 0.00 C ATOM 1745 O GLN A 116 -7.784 -9.453 -10.366 1.00 0.00 O ATOM 1746 CB GLN A 116 -7.846 -12.684 -9.808 1.00 0.00 C ATOM 1747 CG GLN A 116 -7.806 -14.069 -10.345 1.00 0.00 C ATOM 1748 CD GLN A 116 -8.672 -14.301 -11.550 1.00 0.00 C ATOM 1749 OE1 GLN A 116 -8.925 -13.404 -12.359 1.00 0.00 O ATOM 1750 NE2 GLN A 116 -9.151 -15.499 -11.676 1.00 0.00 N ATOM 0 H GLN A 116 -5.438 -13.063 -9.985 1.00 0.00 H new ATOM 0 HA GLN A 116 -7.164 -11.618 -11.572 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -7.575 -12.713 -8.753 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -8.872 -12.319 -9.864 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -6.776 -14.315 -10.602 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -8.111 -14.758 -9.558 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -8.920 -16.215 -10.988 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -9.759 -15.725 -12.464 1.00 0.00 H new ATOM 1759 N VAL A 117 -6.659 -10.295 -8.612 1.00 0.00 N ATOM 1760 CA VAL A 117 -6.903 -9.138 -7.833 1.00 0.00 C ATOM 1761 C VAL A 117 -6.063 -7.991 -8.290 1.00 0.00 C ATOM 1762 O VAL A 117 -6.566 -6.916 -8.432 1.00 0.00 O ATOM 1763 CB VAL A 117 -6.843 -9.378 -6.321 1.00 0.00 C ATOM 1764 CG1 VAL A 117 -6.629 -8.089 -5.558 1.00 0.00 C ATOM 1765 CG2 VAL A 117 -8.140 -10.003 -5.897 1.00 0.00 C ATOM 0 H VAL A 117 -6.078 -11.006 -8.168 1.00 0.00 H new ATOM 0 HA VAL A 117 -7.943 -8.862 -8.009 1.00 0.00 H new ATOM 0 HB VAL A 117 -6.000 -10.033 -6.100 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -6.592 -8.301 -4.489 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -5.690 -7.633 -5.870 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -7.451 -7.404 -5.764 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -8.122 -10.184 -4.822 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -8.964 -9.331 -6.138 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -8.277 -10.948 -6.422 1.00 0.00 H new ATOM 1775 N VAL A 118 -4.795 -8.222 -8.546 1.00 0.00 N ATOM 1776 CA VAL A 118 -3.928 -7.169 -9.122 1.00 0.00 C ATOM 1777 C VAL A 118 -4.529 -6.598 -10.387 1.00 0.00 C ATOM 1778 O VAL A 118 -4.527 -5.393 -10.580 1.00 0.00 O ATOM 1779 CB VAL A 118 -2.485 -7.667 -9.410 1.00 0.00 C ATOM 1780 CG1 VAL A 118 -1.676 -6.624 -10.190 1.00 0.00 C ATOM 1781 CG2 VAL A 118 -1.773 -7.964 -8.120 1.00 0.00 C ATOM 0 H VAL A 118 -4.327 -9.112 -8.374 1.00 0.00 H new ATOM 0 HA VAL A 118 -3.863 -6.387 -8.366 1.00 0.00 H new ATOM 0 HB VAL A 118 -2.567 -8.572 -10.012 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -0.672 -7.006 -10.374 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -2.167 -6.420 -11.142 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -1.614 -5.704 -9.610 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -0.763 -8.312 -8.334 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -1.724 -7.059 -7.515 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -2.315 -8.737 -7.575 1.00 0.00 H new ATOM 1791 N ASP A 119 -5.115 -7.452 -11.188 1.00 0.00 N ATOM 1792 CA ASP A 119 -5.749 -7.019 -12.451 1.00 0.00 C ATOM 1793 C ASP A 119 -6.953 -6.144 -12.111 1.00 0.00 C ATOM 1794 O ASP A 119 -7.127 -5.034 -12.650 1.00 0.00 O ATOM 1795 CB ASP A 119 -6.229 -8.234 -13.264 1.00 0.00 C ATOM 1796 CG ASP A 119 -6.775 -7.854 -14.632 1.00 0.00 C ATOM 1797 OD1 ASP A 119 -7.967 -7.519 -14.738 1.00 0.00 O ATOM 1798 OD2 ASP A 119 -6.013 -7.908 -15.623 1.00 0.00 O ATOM 0 H ASP A 119 -5.177 -8.454 -11.006 1.00 0.00 H new ATOM 0 HA ASP A 119 -5.021 -6.467 -13.046 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -5.400 -8.931 -13.390 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -7.003 -8.758 -12.702 1.00 0.00 H new ATOM 1803 N TYR A 120 -7.711 -6.617 -11.136 1.00 0.00 N ATOM 1804 CA TYR A 120 -8.903 -5.933 -10.651 1.00 0.00 C ATOM 1805 C TYR A 120 -8.532 -4.569 -10.068 1.00 0.00 C ATOM 1806 O TYR A 120 -9.073 -3.531 -10.447 1.00 0.00 O ATOM 1807 CB TYR A 120 -9.632 -6.840 -9.619 1.00 0.00 C ATOM 1808 CG TYR A 120 -10.408 -6.140 -8.535 1.00 0.00 C ATOM 1809 CD1 TYR A 120 -11.555 -5.423 -8.796 1.00 0.00 C ATOM 1810 CD2 TYR A 120 -9.958 -6.202 -7.224 1.00 0.00 C ATOM 1811 CE1 TYR A 120 -12.222 -4.784 -7.782 1.00 0.00 C ATOM 1812 CE2 TYR A 120 -10.621 -5.566 -6.217 1.00 0.00 C ATOM 1813 CZ TYR A 120 -11.748 -4.855 -6.502 1.00 0.00 C ATOM 1814 OH TYR A 120 -12.409 -4.210 -5.505 1.00 0.00 O ATOM 0 H TYR A 120 -7.517 -7.494 -10.653 1.00 0.00 H new ATOM 0 HA TYR A 120 -9.590 -5.747 -11.477 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -10.317 -7.491 -10.162 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -8.889 -7.482 -9.146 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -11.932 -5.364 -9.806 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -9.065 -6.765 -6.997 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -13.121 -4.225 -7.995 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -10.256 -5.625 -5.202 1.00 0.00 H new ATOM 0 HH TYR A 120 -13.303 -3.955 -5.816 1.00 0.00 H new ATOM 1824 N VAL A 121 -7.554 -4.569 -9.238 1.00 0.00 N ATOM 1825 CA VAL A 121 -7.134 -3.394 -8.535 1.00 0.00 C ATOM 1826 C VAL A 121 -6.465 -2.435 -9.501 1.00 0.00 C ATOM 1827 O VAL A 121 -6.552 -1.213 -9.346 1.00 0.00 O ATOM 1828 CB VAL A 121 -6.182 -3.754 -7.361 1.00 0.00 C ATOM 1829 CG1 VAL A 121 -5.674 -2.539 -6.653 1.00 0.00 C ATOM 1830 CG2 VAL A 121 -6.868 -4.658 -6.375 1.00 0.00 C ATOM 0 H VAL A 121 -7.005 -5.400 -9.018 1.00 0.00 H new ATOM 0 HA VAL A 121 -8.011 -2.910 -8.106 1.00 0.00 H new ATOM 0 HB VAL A 121 -5.329 -4.272 -7.798 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -5.013 -2.841 -5.841 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -5.124 -1.912 -7.355 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -6.515 -1.977 -6.247 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -6.182 -4.897 -5.562 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -7.748 -4.156 -5.972 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -7.172 -5.578 -6.875 1.00 0.00 H new ATOM 1840 N ARG A 122 -5.856 -2.978 -10.522 1.00 0.00 N ATOM 1841 CA ARG A 122 -5.276 -2.165 -11.524 1.00 0.00 C ATOM 1842 C ARG A 122 -6.365 -1.457 -12.280 1.00 0.00 C ATOM 1843 O ARG A 122 -6.213 -0.318 -12.624 1.00 0.00 O ATOM 1844 CB ARG A 122 -4.344 -2.944 -12.443 1.00 0.00 C ATOM 1845 CG ARG A 122 -3.525 -2.033 -13.318 1.00 0.00 C ATOM 1846 CD ARG A 122 -2.250 -2.701 -13.790 1.00 0.00 C ATOM 1847 NE ARG A 122 -2.450 -3.702 -14.839 1.00 0.00 N ATOM 1848 CZ ARG A 122 -1.458 -4.191 -15.600 1.00 0.00 C ATOM 1849 NH1 ARG A 122 -0.213 -3.738 -15.446 1.00 0.00 N ATOM 1850 NH2 ARG A 122 -1.706 -5.113 -16.512 1.00 0.00 N ATOM 0 H ARG A 122 -5.756 -3.982 -10.670 1.00 0.00 H new ATOM 0 HA ARG A 122 -4.643 -1.420 -11.042 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -3.679 -3.565 -11.843 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -4.930 -3.617 -13.069 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -4.117 -1.730 -14.181 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -3.277 -1.126 -12.767 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -1.567 -1.936 -14.159 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -1.765 -3.176 -12.937 1.00 0.00 H new ATOM 0 HE ARG A 122 -3.396 -4.047 -15.001 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -0.014 -3.020 -14.750 1.00 0.00 H new ATOM 0 HH12 ARG A 122 0.540 -4.110 -16.024 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -2.657 -5.459 -16.642 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -0.947 -5.480 -17.086 1.00 0.00 H new ATOM 1864 N LYS A 123 -7.502 -2.113 -12.460 1.00 0.00 N ATOM 1865 CA LYS A 123 -8.655 -1.474 -13.082 1.00 0.00 C ATOM 1866 C LYS A 123 -9.335 -0.519 -12.138 1.00 0.00 C ATOM 1867 O LYS A 123 -10.093 0.340 -12.542 1.00 0.00 O ATOM 1868 CB LYS A 123 -9.644 -2.499 -13.506 1.00 0.00 C ATOM 1869 CG LYS A 123 -9.060 -3.414 -14.495 1.00 0.00 C ATOM 1870 CD LYS A 123 -10.105 -4.227 -15.204 1.00 0.00 C ATOM 1871 CE LYS A 123 -10.870 -3.467 -16.314 1.00 0.00 C ATOM 1872 NZ LYS A 123 -11.639 -2.285 -15.836 1.00 0.00 N ATOM 0 H LYS A 123 -7.652 -3.084 -12.186 1.00 0.00 H new ATOM 0 HA LYS A 123 -8.288 -0.919 -13.946 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -9.983 -3.064 -12.638 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -10.521 -2.010 -13.930 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -8.491 -2.840 -15.226 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -8.357 -4.083 -13.998 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -9.628 -5.103 -15.644 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -10.824 -4.591 -14.470 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -10.157 -3.139 -17.070 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -11.557 -4.158 -16.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -12.381 -2.051 -16.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -12.077 -2.504 -14.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -10.997 -1.474 -15.729 1.00 0.00 H new ATOM 1886 N GLN A 124 -9.087 -0.709 -10.869 1.00 0.00 N ATOM 1887 CA GLN A 124 -9.631 0.210 -9.854 1.00 0.00 C ATOM 1888 C GLN A 124 -8.926 1.530 -9.934 1.00 0.00 C ATOM 1889 O GLN A 124 -9.533 2.595 -9.955 1.00 0.00 O ATOM 1890 CB GLN A 124 -9.494 -0.299 -8.413 1.00 0.00 C ATOM 1891 CG GLN A 124 -10.344 -1.486 -8.052 1.00 0.00 C ATOM 1892 CD GLN A 124 -11.552 -1.629 -8.899 1.00 0.00 C ATOM 1893 OE1 GLN A 124 -12.617 -1.093 -8.611 1.00 0.00 O ATOM 1894 NE2 GLN A 124 -11.391 -2.373 -9.932 1.00 0.00 N ATOM 0 H GLN A 124 -8.523 -1.474 -10.498 1.00 0.00 H new ATOM 0 HA GLN A 124 -10.694 0.295 -10.079 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -8.450 -0.557 -8.237 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -9.739 0.518 -7.735 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -9.743 -2.392 -8.135 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -10.649 -1.400 -7.009 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -10.481 -2.793 -10.121 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -12.173 -2.544 -10.564 1.00 0.00 H new ATOM 1903 N ALA A 125 -7.628 1.437 -9.963 1.00 0.00 N ATOM 1904 CA ALA A 125 -6.777 2.580 -10.003 1.00 0.00 C ATOM 1905 C ALA A 125 -6.713 3.174 -11.401 1.00 0.00 C ATOM 1906 O ALA A 125 -6.539 4.384 -11.562 1.00 0.00 O ATOM 1907 CB ALA A 125 -5.410 2.200 -9.491 1.00 0.00 C ATOM 0 H ALA A 125 -7.128 0.548 -9.959 1.00 0.00 H new ATOM 0 HA ALA A 125 -7.188 3.356 -9.357 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -4.756 3.071 -9.520 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -5.492 1.842 -8.465 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -4.993 1.412 -10.118 1.00 0.00 H new ATOM 1913 N SER A 126 -6.786 2.334 -12.400 1.00 0.00 N ATOM 1914 CA SER A 126 -6.844 2.787 -13.778 1.00 0.00 C ATOM 1915 C SER A 126 -8.289 2.751 -14.294 1.00 0.00 C ATOM 1916 O SER A 126 -9.044 3.716 -14.024 1.00 0.00 O ATOM 1917 CB SER A 126 -5.937 1.915 -14.636 1.00 0.00 C ATOM 1918 OG SER A 126 -4.599 1.927 -14.113 1.00 0.00 O ATOM 1919 OXT SER A 126 -8.692 1.769 -14.960 1.00 0.00 O ATOM 0 H SER A 126 -6.807 1.320 -12.290 1.00 0.00 H new ATOM 0 HA SER A 126 -6.496 3.819 -13.834 1.00 0.00 H new ATOM 0 HB2 SER A 126 -6.317 0.894 -14.659 1.00 0.00 H new ATOM 0 HB3 SER A 126 -5.937 2.278 -15.664 1.00 0.00 H new ATOM 0 HG SER A 126 -4.025 1.362 -14.671 1.00 0.00 H new