USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 842 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 Single : 1 1 GLU N :NH3+ 129:sc= 0.0752 (180deg=0) USER MOD Single : 1 3 TYR OH : rot 180:sc= 0 USER MOD Single : 1 7 SER OG : rot 180:sc= 0 USER MOD Single : 1 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 10 GLN : amide:sc= -13.2! C(o=-13!,f=-7.7!) USER MOD Single : 1 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 23 TYR OH : rot 156:sc= 0.223 USER MOD Single : 1 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : 1 27 THR OG1 : rot 57:sc= 0.0846 USER MOD Single : 1 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 32 ASN : amide:sc= -2.56 K(o=-2.6,f=-0.42) USER MOD Single : 1 33 ASN : amide:sc= -0.0395 K(o=-0.04,f=-1.7!) USER MOD Single : 1 40 SER OG : rot 180:sc= -0.214 USER MOD Single : 1 50 LYS NZ :NH3+ -142:sc= -1.6! (180deg=-2.78!) USER MOD Single : 1 53 GLN : amide:sc= -10.7! C(o=-11!,f=-16!) USER MOD Single : 1 58 THR OG1 : rot -138:sc= -1.05 USER MOD Single : 2 1 GLU N :NH3+ -125:sc= -0.721 (180deg=-0.889) USER MOD Single : 2 3 TYR OH : rot 180:sc= 0 USER MOD Single : 2 7 SER OG : rot 131:sc= 0.102 USER MOD Single : 2 9 ASN : amide:sc= -0.196 X(o=-0.2,f=-0.14) USER MOD Single : 2 10 GLN : amide:sc= -9.5! C(o=-9.5!,f=-4.9!) USER MOD Single : 2 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 2 23 TYR OH : rot 180:sc= 0 USER MOD Single : 2 25 HIS : no HD1:sc= -2 K(o=-2,f=-2.8!) USER MOD Single : 2 27 THR OG1 : rot 180:sc= -1.13 USER MOD Single : 2 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 2 32 ASN : amide:sc= -1.18 K(o=-1.2,f=-0.1) USER MOD Single : 2 33 ASN : amide:sc= -0.24 K(o=-0.24,f=-2.6!) USER MOD Single : 2 40 SER OG : rot 109:sc= 0.645 USER MOD Single : 2 50 LYS NZ :NH3+ -154:sc= -5.61! (180deg=-6.68!) USER MOD Single : 2 53 GLN : amide:sc= -14.3! C(o=-14!,f=-19!) USER MOD Single : 2 58 THR OG1 : rot 180:sc= -1.44 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU 1 1 -16.384 -7.710 -3.840 1.00 0.00 N ATOM 2 CA GLU 1 1 -16.159 -8.984 -3.181 1.00 0.00 C ATOM 3 C GLU 1 1 -16.007 -8.782 -1.671 1.00 0.00 C ATOM 4 O GLU 1 1 -16.050 -7.653 -1.186 1.00 0.00 O ATOM 5 CB GLU 1 1 -14.938 -9.696 -3.764 1.00 0.00 C ATOM 6 CG GLU 1 1 -15.359 -10.828 -4.704 1.00 0.00 C ATOM 7 CD GLU 1 1 -14.628 -10.728 -6.045 1.00 0.00 C ATOM 8 OE1 GLU 1 1 -13.489 -11.237 -6.110 1.00 0.00 O ATOM 9 OE2 GLU 1 1 -15.227 -10.145 -6.975 1.00 0.00 O ATOM 0 H1 GLU 1 1 -15.716 -7.605 -4.630 1.00 0.00 H new ATOM 0 H2 GLU 1 1 -17.358 -7.674 -4.203 1.00 0.00 H new ATOM 0 H3 GLU 1 1 -16.239 -6.937 -3.160 1.00 0.00 H new ATOM 0 HA GLU 1 1 -17.027 -9.619 -3.358 1.00 0.00 H new ATOM 0 HB2 GLU 1 1 -14.320 -8.980 -4.305 1.00 0.00 H new ATOM 0 HB3 GLU 1 1 -14.327 -10.098 -2.956 1.00 0.00 H new ATOM 0 HG2 GLU 1 1 -15.144 -11.790 -4.239 1.00 0.00 H new ATOM 0 HG3 GLU 1 1 -16.436 -10.787 -4.869 1.00 0.00 H new ATOM 16 N GLU 1 2 -15.831 -9.893 -0.972 1.00 0.00 N ATOM 17 CA GLU 1 2 -15.672 -9.852 0.472 1.00 0.00 C ATOM 18 C GLU 1 2 -14.191 -9.739 0.839 1.00 0.00 C ATOM 19 O GLU 1 2 -13.534 -10.746 1.098 1.00 0.00 O ATOM 20 CB GLU 1 2 -16.308 -11.078 1.129 1.00 0.00 C ATOM 21 CG GLU 1 2 -16.899 -10.725 2.495 1.00 0.00 C ATOM 22 CD GLU 1 2 -17.577 -11.940 3.131 1.00 0.00 C ATOM 23 OE1 GLU 1 2 -18.188 -12.714 2.364 1.00 0.00 O ATOM 24 OE2 GLU 1 2 -17.467 -12.067 4.370 1.00 0.00 O ATOM 0 H GLU 1 2 -15.795 -10.828 -1.379 1.00 0.00 H new ATOM 0 HA GLU 1 2 -16.189 -8.970 0.850 1.00 0.00 H new ATOM 0 HB2 GLU 1 2 -17.090 -11.476 0.483 1.00 0.00 H new ATOM 0 HB3 GLU 1 2 -15.560 -11.862 1.244 1.00 0.00 H new ATOM 0 HG2 GLU 1 2 -16.110 -10.359 3.152 1.00 0.00 H new ATOM 0 HG3 GLU 1 2 -17.622 -9.917 2.384 1.00 0.00 H new ATOM 31 N TYR 1 3 -13.710 -8.505 0.850 1.00 0.00 N ATOM 32 CA TYR 1 3 -12.319 -8.247 1.181 1.00 0.00 C ATOM 33 C TYR 1 3 -11.897 -9.033 2.424 1.00 0.00 C ATOM 34 O TYR 1 3 -11.940 -8.511 3.537 1.00 0.00 O ATOM 35 CB TYR 1 3 -12.228 -6.750 1.485 1.00 0.00 C ATOM 36 CG TYR 1 3 -12.834 -5.857 0.400 1.00 0.00 C ATOM 37 CD1 TYR 1 3 -12.693 -6.196 -0.931 1.00 0.00 C ATOM 38 CD2 TYR 1 3 -13.520 -4.712 0.751 1.00 0.00 C ATOM 39 CE1 TYR 1 3 -13.262 -5.356 -1.953 1.00 0.00 C ATOM 40 CE2 TYR 1 3 -14.090 -3.872 -0.271 1.00 0.00 C ATOM 41 CZ TYR 1 3 -13.933 -4.236 -1.572 1.00 0.00 C ATOM 42 OH TYR 1 3 -14.470 -3.443 -2.537 1.00 0.00 O ATOM 0 H TYR 1 3 -14.259 -7.673 0.635 1.00 0.00 H new ATOM 0 HA TYR 1 3 -11.667 -8.548 0.361 1.00 0.00 H new ATOM 0 HB2 TYR 1 3 -12.733 -6.550 2.430 1.00 0.00 H new ATOM 0 HB3 TYR 1 3 -11.181 -6.480 1.620 1.00 0.00 H new ATOM 0 HD1 TYR 1 3 -12.156 -7.092 -1.206 1.00 0.00 H new ATOM 0 HD2 TYR 1 3 -13.629 -4.446 1.792 1.00 0.00 H new ATOM 0 HE1 TYR 1 3 -13.158 -5.610 -2.998 1.00 0.00 H new ATOM 0 HE2 TYR 1 3 -14.630 -2.974 -0.010 1.00 0.00 H new ATOM 0 HH TYR 1 3 -14.921 -2.679 -2.120 1.00 0.00 H new ATOM 52 N VAL 1 4 -11.498 -10.275 2.192 1.00 0.00 N ATOM 53 CA VAL 1 4 -11.068 -11.138 3.279 1.00 0.00 C ATOM 54 C VAL 1 4 -9.649 -11.637 2.997 1.00 0.00 C ATOM 55 O VAL 1 4 -8.776 -11.554 3.859 1.00 0.00 O ATOM 56 CB VAL 1 4 -12.074 -12.274 3.473 1.00 0.00 C ATOM 57 CG1 VAL 1 4 -11.764 -13.069 4.743 1.00 0.00 C ATOM 58 CG2 VAL 1 4 -13.506 -11.740 3.497 1.00 0.00 C ATOM 0 H VAL 1 4 -11.463 -10.704 1.267 1.00 0.00 H new ATOM 0 HA VAL 1 4 -11.037 -10.585 4.218 1.00 0.00 H new ATOM 0 HB VAL 1 4 -11.983 -12.951 2.623 1.00 0.00 H new ATOM 0 HG11 VAL 1 4 -12.494 -13.871 4.858 1.00 0.00 H new ATOM 0 HG12 VAL 1 4 -10.764 -13.496 4.670 1.00 0.00 H new ATOM 0 HG13 VAL 1 4 -11.813 -12.407 5.608 1.00 0.00 H new ATOM 0 HG21 VAL 1 4 -14.201 -12.568 3.636 1.00 0.00 H new ATOM 0 HG22 VAL 1 4 -13.617 -11.032 4.318 1.00 0.00 H new ATOM 0 HG23 VAL 1 4 -13.723 -11.239 2.554 1.00 0.00 H new ATOM 68 N GLY 1 5 -9.464 -12.144 1.787 1.00 0.00 N ATOM 69 CA GLY 1 5 -8.165 -12.657 1.381 1.00 0.00 C ATOM 70 C GLY 1 5 -7.170 -11.516 1.165 1.00 0.00 C ATOM 71 O GLY 1 5 -6.016 -11.753 0.809 1.00 0.00 O ATOM 0 H GLY 1 5 -10.191 -12.211 1.075 1.00 0.00 H new ATOM 0 HA2 GLY 1 5 -7.784 -13.337 2.143 1.00 0.00 H new ATOM 0 HA3 GLY 1 5 -8.268 -13.233 0.462 1.00 0.00 H new ATOM 75 N LEU 1 6 -7.650 -10.302 1.390 1.00 0.00 N ATOM 76 CA LEU 1 6 -6.816 -9.124 1.223 1.00 0.00 C ATOM 77 C LEU 1 6 -6.903 -8.261 2.484 1.00 0.00 C ATOM 78 O LEU 1 6 -6.381 -7.148 2.516 1.00 0.00 O ATOM 79 CB LEU 1 6 -7.190 -8.379 -0.059 1.00 0.00 C ATOM 80 CG LEU 1 6 -8.624 -8.575 -0.555 1.00 0.00 C ATOM 81 CD1 LEU 1 6 -9.118 -7.339 -1.308 1.00 0.00 C ATOM 82 CD2 LEU 1 6 -8.742 -9.846 -1.401 1.00 0.00 C ATOM 0 H LEU 1 6 -8.607 -10.109 1.687 1.00 0.00 H new ATOM 0 HA LEU 1 6 -5.771 -9.411 1.103 1.00 0.00 H new ATOM 0 HB2 LEU 1 6 -7.025 -7.314 0.102 1.00 0.00 H new ATOM 0 HB3 LEU 1 6 -6.507 -8.691 -0.849 1.00 0.00 H new ATOM 0 HG LEU 1 6 -9.271 -8.703 0.313 1.00 0.00 H new ATOM 0 HD11 LEU 1 6 -10.140 -7.505 -1.650 1.00 0.00 H new ATOM 0 HD12 LEU 1 6 -9.093 -6.475 -0.644 1.00 0.00 H new ATOM 0 HD13 LEU 1 6 -8.474 -7.155 -2.168 1.00 0.00 H new ATOM 0 HD21 LEU 1 6 -9.771 -9.962 -1.741 1.00 0.00 H new ATOM 0 HD22 LEU 1 6 -8.081 -9.771 -2.264 1.00 0.00 H new ATOM 0 HD23 LEU 1 6 -8.459 -10.710 -0.801 1.00 0.00 H new ATOM 94 N SER 1 7 -7.568 -8.807 3.491 1.00 0.00 N ATOM 95 CA SER 1 7 -7.731 -8.101 4.751 1.00 0.00 C ATOM 96 C SER 1 7 -6.857 -8.745 5.829 1.00 0.00 C ATOM 97 O SER 1 7 -5.832 -9.353 5.522 1.00 0.00 O ATOM 98 CB SER 1 7 -9.196 -8.091 5.192 1.00 0.00 C ATOM 99 OG SER 1 7 -9.563 -6.855 5.799 1.00 0.00 O ATOM 0 H SER 1 7 -8.000 -9.730 3.460 1.00 0.00 H new ATOM 0 HA SER 1 7 -7.416 -7.068 4.606 1.00 0.00 H new ATOM 0 HB2 SER 1 7 -9.836 -8.275 4.329 1.00 0.00 H new ATOM 0 HB3 SER 1 7 -9.368 -8.906 5.896 1.00 0.00 H new ATOM 0 HG SER 1 7 -10.506 -6.888 6.065 1.00 0.00 H new ATOM 105 N ALA 1 8 -7.294 -8.591 7.071 1.00 0.00 N ATOM 106 CA ALA 1 8 -6.564 -9.151 8.196 1.00 0.00 C ATOM 107 C ALA 1 8 -6.612 -10.678 8.119 1.00 0.00 C ATOM 108 O ALA 1 8 -7.477 -11.307 8.725 1.00 0.00 O ATOM 109 CB ALA 1 8 -7.151 -8.613 9.503 1.00 0.00 C ATOM 0 H ALA 1 8 -8.144 -8.087 7.323 1.00 0.00 H new ATOM 0 HA ALA 1 8 -5.516 -8.852 8.162 1.00 0.00 H new ATOM 0 HB1 ALA 1 8 -6.604 -9.033 10.347 1.00 0.00 H new ATOM 0 HB2 ALA 1 8 -7.067 -7.526 9.520 1.00 0.00 H new ATOM 0 HB3 ALA 1 8 -8.201 -8.896 9.574 1.00 0.00 H new ATOM 115 N ASN 1 9 -5.668 -11.231 7.371 1.00 0.00 N ATOM 116 CA ASN 1 9 -5.591 -12.673 7.207 1.00 0.00 C ATOM 117 C ASN 1 9 -4.677 -12.999 6.025 1.00 0.00 C ATOM 118 O ASN 1 9 -4.041 -14.052 6.000 1.00 0.00 O ATOM 119 CB ASN 1 9 -6.970 -13.268 6.917 1.00 0.00 C ATOM 120 CG ASN 1 9 -7.316 -14.366 7.925 1.00 0.00 C ATOM 121 OD1 ASN 1 9 -8.270 -14.275 8.680 1.00 0.00 O ATOM 122 ND2 ASN 1 9 -6.489 -15.408 7.895 1.00 0.00 N ATOM 0 H ASN 1 9 -4.950 -10.706 6.872 1.00 0.00 H new ATOM 0 HA ASN 1 9 -5.202 -13.098 8.132 1.00 0.00 H new ATOM 0 HB2 ASN 1 9 -7.725 -12.482 6.956 1.00 0.00 H new ATOM 0 HB3 ASN 1 9 -6.988 -13.678 5.907 1.00 0.00 H new ATOM 0 HD21 ASN 1 9 -6.635 -16.194 8.529 1.00 0.00 H new ATOM 0 HD22 ASN 1 9 -5.709 -15.421 7.238 1.00 0.00 H new ATOM 129 N GLN 1 10 -4.640 -12.078 5.074 1.00 0.00 N ATOM 130 CA GLN 1 10 -3.814 -12.254 3.892 1.00 0.00 C ATOM 131 C GLN 1 10 -2.332 -12.211 4.269 1.00 0.00 C ATOM 132 O GLN 1 10 -1.499 -12.825 3.602 1.00 0.00 O ATOM 133 CB GLN 1 10 -4.140 -11.201 2.832 1.00 0.00 C ATOM 134 CG GLN 1 10 -3.504 -11.560 1.488 1.00 0.00 C ATOM 135 CD GLN 1 10 -3.820 -10.500 0.431 1.00 0.00 C ATOM 136 OE1 GLN 1 10 -4.298 -10.790 -0.653 1.00 0.00 O ATOM 137 NE2 GLN 1 10 -3.524 -9.258 0.806 1.00 0.00 N ATOM 0 H GLN 1 10 -5.169 -11.206 5.098 1.00 0.00 H new ATOM 0 HA GLN 1 10 -4.032 -13.232 3.464 1.00 0.00 H new ATOM 0 HB2 GLN 1 10 -5.221 -11.119 2.716 1.00 0.00 H new ATOM 0 HB3 GLN 1 10 -3.779 -10.226 3.160 1.00 0.00 H new ATOM 0 HG2 GLN 1 10 -2.424 -11.651 1.605 1.00 0.00 H new ATOM 0 HG3 GLN 1 10 -3.871 -12.531 1.156 1.00 0.00 H new ATOM 0 HE21 GLN 1 10 -3.126 -9.085 1.729 1.00 0.00 H new ATOM 0 HE22 GLN 1 10 -3.696 -8.479 0.171 1.00 0.00 H new ATOM 146 N CYS 1 11 -2.047 -11.481 5.337 1.00 0.00 N ATOM 147 CA CYS 1 11 -0.679 -11.349 5.811 1.00 0.00 C ATOM 148 C CYS 1 11 -0.264 -12.674 6.455 1.00 0.00 C ATOM 149 O CYS 1 11 0.867 -12.818 6.913 1.00 0.00 O ATOM 150 CB CYS 1 11 -0.525 -10.173 6.777 1.00 0.00 C ATOM 151 SG CYS 1 11 1.147 -9.985 7.496 1.00 0.00 S ATOM 0 H CYS 1 11 -2.740 -10.974 5.888 1.00 0.00 H new ATOM 0 HA CYS 1 11 -0.020 -11.132 4.970 1.00 0.00 H new ATOM 0 HB2 CYS 1 11 -0.785 -9.254 6.252 1.00 0.00 H new ATOM 0 HB3 CYS 1 11 -1.243 -10.291 7.589 1.00 0.00 H new ATOM 156 N ALA 1 12 -1.203 -13.609 6.468 1.00 0.00 N ATOM 157 CA ALA 1 12 -0.949 -14.917 7.048 1.00 0.00 C ATOM 158 C ALA 1 12 -1.043 -15.982 5.953 1.00 0.00 C ATOM 159 O ALA 1 12 -1.054 -17.176 6.244 1.00 0.00 O ATOM 160 CB ALA 1 12 -1.935 -15.167 8.191 1.00 0.00 C ATOM 0 H ALA 1 12 -2.141 -13.487 6.086 1.00 0.00 H new ATOM 0 HA ALA 1 12 0.056 -14.964 7.468 1.00 0.00 H new ATOM 0 HB1 ALA 1 12 -1.746 -16.148 8.627 1.00 0.00 H new ATOM 0 HB2 ALA 1 12 -1.809 -14.400 8.955 1.00 0.00 H new ATOM 0 HB3 ALA 1 12 -2.954 -15.132 7.806 1.00 0.00 H new ATOM 166 N VAL 1 13 -1.106 -15.510 4.717 1.00 0.00 N ATOM 167 CA VAL 1 13 -1.198 -16.407 3.577 1.00 0.00 C ATOM 168 C VAL 1 13 -0.196 -17.551 3.752 1.00 0.00 C ATOM 169 O VAL 1 13 0.674 -17.491 4.619 1.00 0.00 O ATOM 170 CB VAL 1 13 -0.993 -15.625 2.279 1.00 0.00 C ATOM 171 CG1 VAL 1 13 0.366 -15.948 1.653 1.00 0.00 C ATOM 172 CG2 VAL 1 13 -2.130 -15.896 1.290 1.00 0.00 C ATOM 0 H VAL 1 13 -1.095 -14.518 4.480 1.00 0.00 H new ATOM 0 HA VAL 1 13 -2.192 -16.852 3.519 1.00 0.00 H new ATOM 0 HB VAL 1 13 -1.006 -14.563 2.522 1.00 0.00 H new ATOM 0 HG11 VAL 1 13 0.487 -15.379 0.731 1.00 0.00 H new ATOM 0 HG12 VAL 1 13 1.160 -15.682 2.350 1.00 0.00 H new ATOM 0 HG13 VAL 1 13 0.420 -17.014 1.431 1.00 0.00 H new ATOM 0 HG21 VAL 1 13 -1.960 -15.328 0.375 1.00 0.00 H new ATOM 0 HG22 VAL 1 13 -2.162 -16.960 1.055 1.00 0.00 H new ATOM 0 HG23 VAL 1 13 -3.078 -15.593 1.734 1.00 0.00 H new ATOM 182 N PRO 1 14 -0.356 -18.591 2.891 1.00 0.00 N ATOM 183 CA PRO 1 14 0.524 -19.746 2.943 1.00 0.00 C ATOM 184 C PRO 1 14 1.894 -19.419 2.345 1.00 0.00 C ATOM 185 O PRO 1 14 2.582 -20.303 1.839 1.00 0.00 O ATOM 186 CB PRO 1 14 -0.212 -20.836 2.179 1.00 0.00 C ATOM 187 CG PRO 1 14 -1.257 -20.121 1.337 1.00 0.00 C ATOM 188 CD PRO 1 14 -1.376 -18.696 1.852 1.00 0.00 C ATOM 0 HA PRO 1 14 0.737 -20.067 3.963 1.00 0.00 H new ATOM 0 HB2 PRO 1 14 0.474 -21.404 1.551 1.00 0.00 H new ATOM 0 HB3 PRO 1 14 -0.679 -21.545 2.863 1.00 0.00 H new ATOM 0 HG2 PRO 1 14 -0.968 -20.124 0.286 1.00 0.00 H new ATOM 0 HG3 PRO 1 14 -2.217 -20.633 1.405 1.00 0.00 H new ATOM 0 HD2 PRO 1 14 -1.206 -17.972 1.055 1.00 0.00 H new ATOM 0 HD3 PRO 1 14 -2.371 -18.502 2.253 1.00 0.00 H new ATOM 196 N ALA 1 15 2.249 -18.144 2.424 1.00 0.00 N ATOM 197 CA ALA 1 15 3.523 -17.689 1.898 1.00 0.00 C ATOM 198 C ALA 1 15 3.704 -18.223 0.475 1.00 0.00 C ATOM 199 O ALA 1 15 4.601 -19.023 0.218 1.00 0.00 O ATOM 200 CB ALA 1 15 4.650 -18.131 2.833 1.00 0.00 C ATOM 0 H ALA 1 15 1.676 -17.413 2.845 1.00 0.00 H new ATOM 0 HA ALA 1 15 3.549 -16.600 1.848 1.00 0.00 H new ATOM 0 HB1 ALA 1 15 5.606 -17.789 2.437 1.00 0.00 H new ATOM 0 HB2 ALA 1 15 4.492 -17.701 3.822 1.00 0.00 H new ATOM 0 HB3 ALA 1 15 4.656 -19.218 2.907 1.00 0.00 H new ATOM 206 N LYS 1 16 2.836 -17.758 -0.412 1.00 0.00 N ATOM 207 CA LYS 1 16 2.887 -18.179 -1.801 1.00 0.00 C ATOM 208 C LYS 1 16 1.725 -17.543 -2.566 1.00 0.00 C ATOM 209 O LYS 1 16 1.149 -18.166 -3.456 1.00 0.00 O ATOM 210 CB LYS 1 16 2.925 -19.705 -1.898 1.00 0.00 C ATOM 211 CG LYS 1 16 1.918 -20.341 -0.936 1.00 0.00 C ATOM 212 CD LYS 1 16 0.874 -21.159 -1.698 1.00 0.00 C ATOM 213 CE LYS 1 16 1.318 -22.616 -1.844 1.00 0.00 C ATOM 214 NZ LYS 1 16 0.245 -23.426 -2.462 1.00 0.00 N ATOM 0 H LYS 1 16 2.093 -17.093 -0.195 1.00 0.00 H new ATOM 0 HA LYS 1 16 3.807 -17.830 -2.270 1.00 0.00 H new ATOM 0 HB2 LYS 1 16 2.703 -20.014 -2.919 1.00 0.00 H new ATOM 0 HB3 LYS 1 16 3.929 -20.063 -1.668 1.00 0.00 H new ATOM 0 HG2 LYS 1 16 2.442 -20.983 -0.227 1.00 0.00 H new ATOM 0 HG3 LYS 1 16 1.423 -19.563 -0.355 1.00 0.00 H new ATOM 0 HD2 LYS 1 16 -0.080 -21.117 -1.173 1.00 0.00 H new ATOM 0 HD3 LYS 1 16 0.715 -20.723 -2.684 1.00 0.00 H new ATOM 0 HE2 LYS 1 16 2.219 -22.668 -2.455 1.00 0.00 H new ATOM 0 HE3 LYS 1 16 1.572 -23.024 -0.866 1.00 0.00 H new ATOM 0 HZ1 LYS 1 16 0.563 -24.412 -2.554 1.00 0.00 H new ATOM 0 HZ2 LYS 1 16 -0.605 -23.391 -1.864 1.00 0.00 H new ATOM 0 HZ3 LYS 1 16 0.021 -23.046 -3.404 1.00 0.00 H new ATOM 228 N ASP 1 17 1.415 -16.311 -2.191 1.00 0.00 N ATOM 229 CA ASP 1 17 0.333 -15.583 -2.830 1.00 0.00 C ATOM 230 C ASP 1 17 0.524 -14.083 -2.599 1.00 0.00 C ATOM 231 O ASP 1 17 -0.400 -13.297 -2.801 1.00 0.00 O ATOM 232 CB ASP 1 17 -1.022 -15.983 -2.242 1.00 0.00 C ATOM 233 CG ASP 1 17 -2.231 -15.652 -3.119 1.00 0.00 C ATOM 234 OD1 ASP 1 17 -2.000 -15.315 -4.300 1.00 0.00 O ATOM 235 OD2 ASP 1 17 -3.359 -15.745 -2.589 1.00 0.00 O ATOM 0 H ASP 1 17 1.895 -15.798 -1.452 1.00 0.00 H new ATOM 0 HA ASP 1 17 0.350 -15.821 -3.894 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 -1.015 -17.056 -2.049 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 -1.144 -15.487 -1.279 1.00 0.00 H new ATOM 240 N ARG 1 18 1.731 -13.732 -2.178 1.00 0.00 N ATOM 241 CA ARG 1 18 2.055 -12.340 -1.917 1.00 0.00 C ATOM 242 C ARG 1 18 2.612 -11.678 -3.180 1.00 0.00 C ATOM 243 O ARG 1 18 2.803 -12.340 -4.199 1.00 0.00 O ATOM 244 CB ARG 1 18 3.083 -12.216 -0.790 1.00 0.00 C ATOM 245 CG ARG 1 18 2.672 -13.055 0.421 1.00 0.00 C ATOM 246 CD ARG 1 18 3.886 -13.742 1.050 1.00 0.00 C ATOM 247 NE ARG 1 18 3.533 -14.270 2.387 1.00 0.00 N ATOM 248 CZ ARG 1 18 4.429 -14.564 3.338 1.00 0.00 C ATOM 249 NH1 ARG 1 18 5.737 -14.384 3.107 1.00 0.00 N ATOM 250 NH2 ARG 1 18 4.018 -15.038 4.522 1.00 0.00 N ATOM 0 H ARG 1 18 2.495 -14.387 -2.012 1.00 0.00 H new ATOM 0 HA ARG 1 18 1.137 -11.837 -1.614 1.00 0.00 H new ATOM 0 HB2 ARG 1 18 4.060 -12.541 -1.147 1.00 0.00 H new ATOM 0 HB3 ARG 1 18 3.182 -11.171 -0.496 1.00 0.00 H new ATOM 0 HG2 ARG 1 18 2.186 -12.419 1.161 1.00 0.00 H new ATOM 0 HG3 ARG 1 18 1.942 -13.805 0.117 1.00 0.00 H new ATOM 0 HD2 ARG 1 18 4.228 -14.554 0.408 1.00 0.00 H new ATOM 0 HD3 ARG 1 18 4.711 -13.034 1.136 1.00 0.00 H new ATOM 0 HE ARG 1 18 2.546 -14.419 2.597 1.00 0.00 H new ATOM 0 HH11 ARG 1 18 6.051 -14.023 2.206 1.00 0.00 H new ATOM 0 HH12 ARG 1 18 6.419 -14.608 3.832 1.00 0.00 H new ATOM 0 HH21 ARG 1 18 3.023 -15.175 4.699 1.00 0.00 H new ATOM 0 HH22 ARG 1 18 4.700 -15.262 5.246 1.00 0.00 H new ATOM 264 N VAL 1 19 2.857 -10.381 -3.072 1.00 0.00 N ATOM 265 CA VAL 1 19 3.387 -9.623 -4.192 1.00 0.00 C ATOM 266 C VAL 1 19 4.872 -9.341 -3.954 1.00 0.00 C ATOM 267 O VAL 1 19 5.440 -8.434 -4.560 1.00 0.00 O ATOM 268 CB VAL 1 19 2.563 -8.352 -4.401 1.00 0.00 C ATOM 269 CG1 VAL 1 19 3.048 -7.579 -5.629 1.00 0.00 C ATOM 270 CG2 VAL 1 19 1.072 -8.676 -4.511 1.00 0.00 C ATOM 0 H VAL 1 19 2.698 -9.835 -2.225 1.00 0.00 H new ATOM 0 HA VAL 1 19 3.309 -10.199 -5.114 1.00 0.00 H new ATOM 0 HB VAL 1 19 2.704 -7.715 -3.527 1.00 0.00 H new ATOM 0 HG11 VAL 1 19 2.445 -6.680 -5.754 1.00 0.00 H new ATOM 0 HG12 VAL 1 19 4.093 -7.299 -5.494 1.00 0.00 H new ATOM 0 HG13 VAL 1 19 2.952 -8.207 -6.515 1.00 0.00 H new ATOM 0 HG21 VAL 1 19 0.509 -7.754 -4.659 1.00 0.00 H new ATOM 0 HG22 VAL 1 19 0.906 -9.343 -5.357 1.00 0.00 H new ATOM 0 HG23 VAL 1 19 0.737 -9.162 -3.595 1.00 0.00 H new ATOM 280 N ASP 1 20 5.458 -10.135 -3.069 1.00 0.00 N ATOM 281 CA ASP 1 20 6.866 -9.981 -2.743 1.00 0.00 C ATOM 282 C ASP 1 20 7.262 -8.511 -2.894 1.00 0.00 C ATOM 283 O ASP 1 20 7.753 -8.102 -3.945 1.00 0.00 O ATOM 284 CB ASP 1 20 7.742 -10.807 -3.686 1.00 0.00 C ATOM 285 CG ASP 1 20 9.161 -10.269 -3.888 1.00 0.00 C ATOM 286 OD1 ASP 1 20 9.821 -10.010 -2.859 1.00 0.00 O ATOM 287 OD2 ASP 1 20 9.552 -10.128 -5.067 1.00 0.00 O ATOM 0 H ASP 1 20 4.984 -10.886 -2.568 1.00 0.00 H new ATOM 0 HA ASP 1 20 7.015 -10.324 -1.719 1.00 0.00 H new ATOM 0 HB2 ASP 1 20 7.807 -11.824 -3.300 1.00 0.00 H new ATOM 0 HB3 ASP 1 20 7.250 -10.865 -4.657 1.00 0.00 H new ATOM 292 N CYS 1 21 7.035 -7.757 -1.829 1.00 0.00 N ATOM 293 CA CYS 1 21 7.364 -6.342 -1.829 1.00 0.00 C ATOM 294 C CYS 1 21 8.792 -6.180 -2.353 1.00 0.00 C ATOM 295 O CYS 1 21 9.096 -5.210 -3.047 1.00 0.00 O ATOM 296 CB CYS 1 21 7.191 -5.721 -0.442 1.00 0.00 C ATOM 297 SG CYS 1 21 6.564 -4.001 -0.443 1.00 0.00 S ATOM 0 H CYS 1 21 6.627 -8.100 -0.959 1.00 0.00 H new ATOM 0 HA CYS 1 21 6.676 -5.807 -2.483 1.00 0.00 H new ATOM 0 HB2 CYS 1 21 6.506 -6.342 0.136 1.00 0.00 H new ATOM 0 HB3 CYS 1 21 8.152 -5.742 0.072 1.00 0.00 H new ATOM 302 N GLY 1 22 9.630 -7.144 -2.002 1.00 0.00 N ATOM 303 CA GLY 1 22 11.019 -7.121 -2.429 1.00 0.00 C ATOM 304 C GLY 1 22 11.663 -5.767 -2.124 1.00 0.00 C ATOM 305 O GLY 1 22 12.095 -5.062 -3.035 1.00 0.00 O ATOM 0 H GLY 1 22 9.374 -7.946 -1.427 1.00 0.00 H new ATOM 0 HA2 GLY 1 22 11.572 -7.913 -1.924 1.00 0.00 H new ATOM 0 HA3 GLY 1 22 11.078 -7.323 -3.498 1.00 0.00 H new ATOM 309 N TYR 1 23 11.706 -5.443 -0.840 1.00 0.00 N ATOM 310 CA TYR 1 23 12.290 -4.186 -0.404 1.00 0.00 C ATOM 311 C TYR 1 23 13.780 -4.350 -0.099 1.00 0.00 C ATOM 312 O TYR 1 23 14.196 -5.367 0.455 1.00 0.00 O ATOM 313 CB TYR 1 23 11.557 -3.805 0.884 1.00 0.00 C ATOM 314 CG TYR 1 23 10.697 -2.546 0.760 1.00 0.00 C ATOM 315 CD1 TYR 1 23 11.276 -1.299 0.892 1.00 0.00 C ATOM 316 CD2 TYR 1 23 9.343 -2.655 0.518 1.00 0.00 C ATOM 317 CE1 TYR 1 23 10.466 -0.114 0.776 1.00 0.00 C ATOM 318 CE2 TYR 1 23 8.533 -1.470 0.402 1.00 0.00 C ATOM 319 CZ TYR 1 23 9.136 -0.258 0.537 1.00 0.00 C ATOM 320 OH TYR 1 23 8.370 0.862 0.427 1.00 0.00 O ATOM 0 H TYR 1 23 11.346 -6.030 -0.087 1.00 0.00 H new ATOM 0 HA TYR 1 23 12.192 -3.428 -1.181 1.00 0.00 H new ATOM 0 HB2 TYR 1 23 10.923 -4.637 1.189 1.00 0.00 H new ATOM 0 HB3 TYR 1 23 12.290 -3.656 1.677 1.00 0.00 H new ATOM 0 HD1 TYR 1 23 12.336 -1.213 1.082 1.00 0.00 H new ATOM 0 HD2 TYR 1 23 8.890 -3.630 0.415 1.00 0.00 H new ATOM 0 HE1 TYR 1 23 10.906 0.867 0.877 1.00 0.00 H new ATOM 0 HE2 TYR 1 23 7.472 -1.542 0.212 1.00 0.00 H new ATOM 0 HH TYR 1 23 7.570 0.661 -0.102 1.00 0.00 H new ATOM 330 N PRO 1 24 14.565 -3.308 -0.484 1.00 0.00 N ATOM 331 CA PRO 1 24 15.999 -3.327 -0.257 1.00 0.00 C ATOM 332 C PRO 1 24 16.325 -3.073 1.217 1.00 0.00 C ATOM 333 O PRO 1 24 17.482 -3.166 1.625 1.00 0.00 O ATOM 334 CB PRO 1 24 16.558 -2.258 -1.182 1.00 0.00 C ATOM 335 CG PRO 1 24 15.382 -1.365 -1.545 1.00 0.00 C ATOM 336 CD PRO 1 24 14.107 -2.088 -1.142 1.00 0.00 C ATOM 0 HA PRO 1 24 16.446 -4.297 -0.475 1.00 0.00 H new ATOM 0 HB2 PRO 1 24 17.344 -1.687 -0.689 1.00 0.00 H new ATOM 0 HB3 PRO 1 24 16.999 -2.704 -2.073 1.00 0.00 H new ATOM 0 HG2 PRO 1 24 15.457 -0.407 -1.030 1.00 0.00 H new ATOM 0 HG3 PRO 1 24 15.379 -1.153 -2.614 1.00 0.00 H new ATOM 0 HD2 PRO 1 24 13.502 -1.479 -0.470 1.00 0.00 H new ATOM 0 HD3 PRO 1 24 13.489 -2.315 -2.011 1.00 0.00 H new ATOM 344 N HIS 1 25 15.285 -2.758 1.974 1.00 0.00 N ATOM 345 CA HIS 1 25 15.446 -2.491 3.393 1.00 0.00 C ATOM 346 C HIS 1 25 14.505 -3.392 4.195 1.00 0.00 C ATOM 347 O HIS 1 25 14.224 -3.120 5.362 1.00 0.00 O ATOM 348 CB HIS 1 25 15.240 -1.005 3.692 1.00 0.00 C ATOM 349 CG HIS 1 25 16.390 -0.126 3.257 1.00 0.00 C ATOM 350 ND1 HIS 1 25 16.263 0.842 2.276 1.00 0.00 N ATOM 351 CD2 HIS 1 25 17.686 -0.078 3.681 1.00 0.00 C ATOM 352 CE1 HIS 1 25 17.437 1.438 2.123 1.00 0.00 C ATOM 353 NE2 HIS 1 25 18.317 0.866 2.995 1.00 0.00 N ATOM 0 H HIS 1 25 14.327 -2.682 1.632 1.00 0.00 H new ATOM 0 HA HIS 1 25 16.466 -2.726 3.698 1.00 0.00 H new ATOM 0 HB2 HIS 1 25 14.330 -0.668 3.196 1.00 0.00 H new ATOM 0 HB3 HIS 1 25 15.084 -0.879 4.763 1.00 0.00 H new ATOM 0 HD2 HIS 1 25 18.124 -0.703 4.446 1.00 0.00 H new ATOM 0 HE1 HIS 1 25 17.658 2.236 1.430 1.00 0.00 H new ATOM 0 HE2 HIS 1 25 19.299 1.122 3.102 1.00 0.00 H new ATOM 362 N VAL 1 26 14.047 -4.447 3.538 1.00 0.00 N ATOM 363 CA VAL 1 26 13.144 -5.391 4.176 1.00 0.00 C ATOM 364 C VAL 1 26 13.606 -5.642 5.612 1.00 0.00 C ATOM 365 O VAL 1 26 14.768 -5.976 5.844 1.00 0.00 O ATOM 366 CB VAL 1 26 13.053 -6.671 3.344 1.00 0.00 C ATOM 367 CG1 VAL 1 26 14.434 -7.098 2.841 1.00 0.00 C ATOM 368 CG2 VAL 1 26 12.389 -7.797 4.141 1.00 0.00 C ATOM 0 H VAL 1 26 14.284 -4.669 2.571 1.00 0.00 H new ATOM 0 HA VAL 1 26 12.136 -4.980 4.227 1.00 0.00 H new ATOM 0 HB VAL 1 26 12.429 -6.461 2.475 1.00 0.00 H new ATOM 0 HG11 VAL 1 26 14.341 -8.011 2.252 1.00 0.00 H new ATOM 0 HG12 VAL 1 26 14.856 -6.307 2.220 1.00 0.00 H new ATOM 0 HG13 VAL 1 26 15.091 -7.281 3.692 1.00 0.00 H new ATOM 0 HG21 VAL 1 26 12.337 -8.696 3.527 1.00 0.00 H new ATOM 0 HG22 VAL 1 26 12.975 -8.003 5.037 1.00 0.00 H new ATOM 0 HG23 VAL 1 26 11.382 -7.495 4.428 1.00 0.00 H new ATOM 378 N THR 1 27 12.675 -5.472 6.539 1.00 0.00 N ATOM 379 CA THR 1 27 12.973 -5.676 7.946 1.00 0.00 C ATOM 380 C THR 1 27 11.679 -5.822 8.749 1.00 0.00 C ATOM 381 O THR 1 27 10.642 -5.285 8.365 1.00 0.00 O ATOM 382 CB THR 1 27 13.853 -4.516 8.417 1.00 0.00 C ATOM 383 OG1 THR 1 27 15.098 -5.131 8.733 1.00 0.00 O ATOM 384 CG2 THR 1 27 13.381 -3.924 9.747 1.00 0.00 C ATOM 0 H THR 1 27 11.713 -5.195 6.343 1.00 0.00 H new ATOM 0 HA THR 1 27 13.523 -6.604 8.103 1.00 0.00 H new ATOM 0 HB THR 1 27 13.862 -3.736 7.656 1.00 0.00 H new ATOM 0 HG1 THR 1 27 15.434 -5.612 7.948 1.00 0.00 H new ATOM 0 HG21 THR 1 27 14.040 -3.105 10.035 1.00 0.00 H new ATOM 0 HG22 THR 1 27 12.363 -3.550 9.638 1.00 0.00 H new ATOM 0 HG23 THR 1 27 13.403 -4.695 10.517 1.00 0.00 H new ATOM 392 N PRO 1 28 11.785 -6.570 9.880 1.00 0.00 N ATOM 393 CA PRO 1 28 10.637 -6.793 10.742 1.00 0.00 C ATOM 394 C PRO 1 28 10.314 -5.541 11.559 1.00 0.00 C ATOM 395 O PRO 1 28 10.171 -5.611 12.778 1.00 0.00 O ATOM 396 CB PRO 1 28 11.018 -7.984 11.605 1.00 0.00 C ATOM 397 CG PRO 1 28 12.531 -8.093 11.522 1.00 0.00 C ATOM 398 CD PRO 1 28 12.998 -7.221 10.367 1.00 0.00 C ATOM 0 HA PRO 1 28 9.725 -7.000 10.183 1.00 0.00 H new ATOM 0 HB2 PRO 1 28 10.693 -7.839 12.635 1.00 0.00 H new ATOM 0 HB3 PRO 1 28 10.541 -8.895 11.245 1.00 0.00 H new ATOM 0 HG2 PRO 1 28 12.989 -7.767 12.456 1.00 0.00 H new ATOM 0 HG3 PRO 1 28 12.831 -9.129 11.364 1.00 0.00 H new ATOM 0 HD2 PRO 1 28 13.735 -6.489 10.696 1.00 0.00 H new ATOM 0 HD3 PRO 1 28 13.468 -7.818 9.585 1.00 0.00 H new ATOM 406 N LYS 1 29 10.207 -4.424 10.854 1.00 0.00 N ATOM 407 CA LYS 1 29 9.904 -3.158 11.500 1.00 0.00 C ATOM 408 C LYS 1 29 9.886 -2.047 10.449 1.00 0.00 C ATOM 409 O LYS 1 29 9.272 -1.001 10.657 1.00 0.00 O ATOM 410 CB LYS 1 29 10.874 -2.898 12.654 1.00 0.00 C ATOM 411 CG LYS 1 29 10.197 -2.103 13.771 1.00 0.00 C ATOM 412 CD LYS 1 29 10.294 -2.843 15.107 1.00 0.00 C ATOM 413 CE LYS 1 29 9.000 -2.697 15.910 1.00 0.00 C ATOM 414 NZ LYS 1 29 9.291 -2.209 17.277 1.00 0.00 N ATOM 0 H LYS 1 29 10.325 -4.369 9.842 1.00 0.00 H new ATOM 0 HA LYS 1 29 8.912 -3.188 11.951 1.00 0.00 H new ATOM 0 HB2 LYS 1 29 11.239 -3.847 13.048 1.00 0.00 H new ATOM 0 HB3 LYS 1 29 11.742 -2.350 12.288 1.00 0.00 H new ATOM 0 HG2 LYS 1 29 10.665 -1.123 13.859 1.00 0.00 H new ATOM 0 HG3 LYS 1 29 9.150 -1.935 13.519 1.00 0.00 H new ATOM 0 HD2 LYS 1 29 10.498 -3.899 14.928 1.00 0.00 H new ATOM 0 HD3 LYS 1 29 11.131 -2.450 15.684 1.00 0.00 H new ATOM 0 HE2 LYS 1 29 8.328 -2.003 15.405 1.00 0.00 H new ATOM 0 HE3 LYS 1 29 8.487 -3.657 15.962 1.00 0.00 H new ATOM 0 HZ1 LYS 1 29 8.402 -2.115 17.809 1.00 0.00 H new ATOM 0 HZ2 LYS 1 29 9.915 -2.885 17.762 1.00 0.00 H new ATOM 0 HZ3 LYS 1 29 9.761 -1.283 17.222 1.00 0.00 H new ATOM 428 N GLU 1 30 10.567 -2.310 9.343 1.00 0.00 N ATOM 429 CA GLU 1 30 10.636 -1.344 8.259 1.00 0.00 C ATOM 430 C GLU 1 30 9.560 -1.641 7.214 1.00 0.00 C ATOM 431 O GLU 1 30 8.882 -0.731 6.739 1.00 0.00 O ATOM 432 CB GLU 1 30 12.028 -1.332 7.625 1.00 0.00 C ATOM 433 CG GLU 1 30 12.805 -0.078 8.031 1.00 0.00 C ATOM 434 CD GLU 1 30 13.565 -0.303 9.340 1.00 0.00 C ATOM 435 OE1 GLU 1 30 12.896 -0.279 10.395 1.00 0.00 O ATOM 436 OE2 GLU 1 30 14.797 -0.496 9.255 1.00 0.00 O ATOM 0 H GLU 1 30 11.076 -3.178 9.174 1.00 0.00 H new ATOM 0 HA GLU 1 30 10.451 -0.352 8.670 1.00 0.00 H new ATOM 0 HB2 GLU 1 30 12.579 -2.221 7.932 1.00 0.00 H new ATOM 0 HB3 GLU 1 30 11.937 -1.372 6.540 1.00 0.00 H new ATOM 0 HG2 GLU 1 30 13.506 0.191 7.241 1.00 0.00 H new ATOM 0 HG3 GLU 1 30 12.117 0.759 8.145 1.00 0.00 H new ATOM 443 N CYS 1 31 9.435 -2.919 6.885 1.00 0.00 N ATOM 444 CA CYS 1 31 8.453 -3.347 5.905 1.00 0.00 C ATOM 445 C CYS 1 31 7.077 -2.853 6.356 1.00 0.00 C ATOM 446 O CYS 1 31 6.360 -2.212 5.589 1.00 0.00 O ATOM 447 CB CYS 1 31 8.477 -4.864 5.703 1.00 0.00 C ATOM 448 SG CYS 1 31 9.855 -5.478 4.667 1.00 0.00 S ATOM 0 H CYS 1 31 9.998 -3.672 7.281 1.00 0.00 H new ATOM 0 HA CYS 1 31 8.693 -2.914 4.934 1.00 0.00 H new ATOM 0 HB2 CYS 1 31 8.532 -5.346 6.679 1.00 0.00 H new ATOM 0 HB3 CYS 1 31 7.535 -5.171 5.249 1.00 0.00 H new ATOM 453 N ASN 1 32 6.747 -3.171 7.600 1.00 0.00 N ATOM 454 CA ASN 1 32 5.470 -2.768 8.163 1.00 0.00 C ATOM 455 C ASN 1 32 5.444 -1.246 8.320 1.00 0.00 C ATOM 456 O ASN 1 32 4.432 -0.678 8.724 1.00 0.00 O ATOM 457 CB ASN 1 32 5.258 -3.389 9.545 1.00 0.00 C ATOM 458 CG ASN 1 32 4.416 -4.664 9.450 1.00 0.00 C ATOM 459 OD1 ASN 1 32 3.335 -4.768 10.004 1.00 0.00 O ATOM 460 ND2 ASN 1 32 4.971 -5.624 8.715 1.00 0.00 N ATOM 0 H ASN 1 32 7.343 -3.704 8.234 1.00 0.00 H new ATOM 0 HA ASN 1 32 4.682 -3.107 7.490 1.00 0.00 H new ATOM 0 HB2 ASN 1 32 6.223 -3.619 9.996 1.00 0.00 H new ATOM 0 HB3 ASN 1 32 4.764 -2.670 10.199 1.00 0.00 H new ATOM 0 HD21 ASN 1 32 4.488 -6.513 8.588 1.00 0.00 H new ATOM 0 HD22 ASN 1 32 5.880 -5.471 8.278 1.00 0.00 H new ATOM 467 N ASN 1 33 6.571 -0.630 7.993 1.00 0.00 N ATOM 468 CA ASN 1 33 6.690 0.814 8.091 1.00 0.00 C ATOM 469 C ASN 1 33 6.647 1.424 6.689 1.00 0.00 C ATOM 470 O ASN 1 33 6.252 2.576 6.520 1.00 0.00 O ATOM 471 CB ASN 1 33 8.018 1.214 8.740 1.00 0.00 C ATOM 472 CG ASN 1 33 7.950 2.639 9.295 1.00 0.00 C ATOM 473 OD1 ASN 1 33 6.900 3.257 9.363 1.00 0.00 O ATOM 474 ND2 ASN 1 33 9.125 3.124 9.685 1.00 0.00 N ATOM 0 H ASN 1 33 7.410 -1.105 7.660 1.00 0.00 H new ATOM 0 HA ASN 1 33 5.864 1.179 8.702 1.00 0.00 H new ATOM 0 HB2 ASN 1 33 8.258 0.518 9.544 1.00 0.00 H new ATOM 0 HB3 ASN 1 33 8.821 1.144 8.006 1.00 0.00 H new ATOM 0 HD21 ASN 1 33 9.185 4.067 10.069 1.00 0.00 H new ATOM 0 HD22 ASN 1 33 9.966 2.553 9.600 1.00 0.00 H new ATOM 481 N ARG 1 34 7.059 0.621 5.718 1.00 0.00 N ATOM 482 CA ARG 1 34 7.071 1.066 4.335 1.00 0.00 C ATOM 483 C ARG 1 34 5.699 0.850 3.695 1.00 0.00 C ATOM 484 O ARG 1 34 5.337 1.542 2.743 1.00 0.00 O ATOM 485 CB ARG 1 34 8.129 0.315 3.524 1.00 0.00 C ATOM 486 CG ARG 1 34 9.403 0.106 4.345 1.00 0.00 C ATOM 487 CD ARG 1 34 10.646 0.476 3.533 1.00 0.00 C ATOM 488 NE ARG 1 34 11.680 1.050 4.423 1.00 0.00 N ATOM 489 CZ ARG 1 34 11.511 2.160 5.152 1.00 0.00 C ATOM 490 NH1 ARG 1 34 10.348 2.823 5.103 1.00 0.00 N ATOM 491 NH2 ARG 1 34 12.505 2.608 5.932 1.00 0.00 N ATOM 0 H ARG 1 34 7.387 -0.334 5.862 1.00 0.00 H new ATOM 0 HA ARG 1 34 7.313 2.129 4.331 1.00 0.00 H new ATOM 0 HB2 ARG 1 34 7.733 -0.650 3.208 1.00 0.00 H new ATOM 0 HB3 ARG 1 34 8.363 0.875 2.619 1.00 0.00 H new ATOM 0 HG2 ARG 1 34 9.361 0.713 5.249 1.00 0.00 H new ATOM 0 HG3 ARG 1 34 9.468 -0.935 4.663 1.00 0.00 H new ATOM 0 HD2 ARG 1 34 11.038 -0.408 3.029 1.00 0.00 H new ATOM 0 HD3 ARG 1 34 10.383 1.195 2.757 1.00 0.00 H new ATOM 0 HE ARG 1 34 12.578 0.570 4.485 1.00 0.00 H new ATOM 0 HH11 ARG 1 34 9.591 2.482 4.510 1.00 0.00 H new ATOM 0 HH12 ARG 1 34 10.219 3.669 5.658 1.00 0.00 H new ATOM 0 HH21 ARG 1 34 13.390 2.103 5.970 1.00 0.00 H new ATOM 0 HH22 ARG 1 34 12.376 3.454 6.487 1.00 0.00 H new ATOM 505 N GLY 1 35 4.972 -0.113 4.241 1.00 0.00 N ATOM 506 CA GLY 1 35 3.647 -0.430 3.735 1.00 0.00 C ATOM 507 C GLY 1 35 3.563 -1.893 3.294 1.00 0.00 C ATOM 508 O GLY 1 35 2.723 -2.249 2.470 1.00 0.00 O ATOM 0 H GLY 1 35 5.275 -0.685 5.029 1.00 0.00 H new ATOM 0 HA2 GLY 1 35 2.903 -0.236 4.508 1.00 0.00 H new ATOM 0 HA3 GLY 1 35 3.410 0.221 2.894 1.00 0.00 H new ATOM 512 N CYS 1 36 4.447 -2.700 3.863 1.00 0.00 N ATOM 513 CA CYS 1 36 4.484 -4.116 3.539 1.00 0.00 C ATOM 514 C CYS 1 36 4.263 -4.910 4.828 1.00 0.00 C ATOM 515 O CYS 1 36 4.047 -4.329 5.890 1.00 0.00 O ATOM 516 CB CYS 1 36 5.792 -4.504 2.846 1.00 0.00 C ATOM 517 SG CYS 1 36 6.228 -3.474 1.397 1.00 0.00 S ATOM 0 H CYS 1 36 5.143 -2.400 4.546 1.00 0.00 H new ATOM 0 HA CYS 1 36 3.691 -4.350 2.829 1.00 0.00 H new ATOM 0 HB2 CYS 1 36 6.603 -4.446 3.572 1.00 0.00 H new ATOM 0 HB3 CYS 1 36 5.723 -5.544 2.527 1.00 0.00 H new ATOM 522 N CYS 1 37 4.327 -6.226 4.692 1.00 0.00 N ATOM 523 CA CYS 1 37 4.138 -7.106 5.834 1.00 0.00 C ATOM 524 C CYS 1 37 5.322 -8.072 5.898 1.00 0.00 C ATOM 525 O CYS 1 37 5.634 -8.743 4.916 1.00 0.00 O ATOM 526 CB CYS 1 37 2.801 -7.847 5.761 1.00 0.00 C ATOM 527 SG CYS 1 37 2.164 -8.441 7.370 1.00 0.00 S ATOM 0 H CYS 1 37 4.507 -6.705 3.809 1.00 0.00 H new ATOM 0 HA CYS 1 37 4.103 -6.515 6.749 1.00 0.00 H new ATOM 0 HB2 CYS 1 37 2.059 -7.185 5.314 1.00 0.00 H new ATOM 0 HB3 CYS 1 37 2.911 -8.701 5.092 1.00 0.00 H new ATOM 532 N PHE 1 38 5.950 -8.111 7.064 1.00 0.00 N ATOM 533 CA PHE 1 38 7.094 -8.984 7.268 1.00 0.00 C ATOM 534 C PHE 1 38 6.650 -10.364 7.759 1.00 0.00 C ATOM 535 O PHE 1 38 5.997 -10.478 8.795 1.00 0.00 O ATOM 536 CB PHE 1 38 7.967 -8.331 8.342 1.00 0.00 C ATOM 537 CG PHE 1 38 9.366 -8.940 8.459 1.00 0.00 C ATOM 538 CD1 PHE 1 38 10.371 -8.493 7.659 1.00 0.00 C ATOM 539 CD2 PHE 1 38 9.606 -9.925 9.365 1.00 0.00 C ATOM 540 CE1 PHE 1 38 11.670 -9.056 7.767 1.00 0.00 C ATOM 541 CE2 PHE 1 38 10.904 -10.489 9.474 1.00 0.00 C ATOM 542 CZ PHE 1 38 11.909 -10.044 8.673 1.00 0.00 C ATOM 0 H PHE 1 38 5.689 -7.553 7.877 1.00 0.00 H new ATOM 0 HA PHE 1 38 7.633 -9.118 6.330 1.00 0.00 H new ATOM 0 HB2 PHE 1 38 8.062 -7.268 8.122 1.00 0.00 H new ATOM 0 HB3 PHE 1 38 7.464 -8.414 9.305 1.00 0.00 H new ATOM 0 HD1 PHE 1 38 10.181 -7.709 6.941 1.00 0.00 H new ATOM 0 HD2 PHE 1 38 8.809 -10.278 10.002 1.00 0.00 H new ATOM 0 HE1 PHE 1 38 12.468 -8.701 7.131 1.00 0.00 H new ATOM 0 HE2 PHE 1 38 11.094 -11.272 10.193 1.00 0.00 H new ATOM 0 HZ PHE 1 38 12.896 -10.474 8.755 1.00 0.00 H new ATOM 552 N ASP 1 39 7.022 -11.377 6.990 1.00 0.00 N ATOM 553 CA ASP 1 39 6.670 -12.744 7.332 1.00 0.00 C ATOM 554 C ASP 1 39 7.683 -13.290 8.341 1.00 0.00 C ATOM 555 O ASP 1 39 7.436 -13.273 9.546 1.00 0.00 O ATOM 556 CB ASP 1 39 6.700 -13.647 6.098 1.00 0.00 C ATOM 557 CG ASP 1 39 7.171 -15.080 6.355 1.00 0.00 C ATOM 558 OD1 ASP 1 39 6.379 -15.838 6.956 1.00 0.00 O ATOM 559 OD2 ASP 1 39 8.311 -15.386 5.944 1.00 0.00 O ATOM 0 H ASP 1 39 7.564 -11.278 6.131 1.00 0.00 H new ATOM 0 HA ASP 1 39 5.663 -12.737 7.749 1.00 0.00 H new ATOM 0 HB2 ASP 1 39 5.699 -13.681 5.667 1.00 0.00 H new ATOM 0 HB3 ASP 1 39 7.353 -13.195 5.351 1.00 0.00 H new ATOM 564 N SER 1 40 8.803 -13.760 7.812 1.00 0.00 N ATOM 565 CA SER 1 40 9.854 -14.309 8.651 1.00 0.00 C ATOM 566 C SER 1 40 9.585 -15.790 8.925 1.00 0.00 C ATOM 567 O SER 1 40 10.507 -16.549 9.221 1.00 0.00 O ATOM 568 CB SER 1 40 9.969 -13.537 9.966 1.00 0.00 C ATOM 569 OG SER 1 40 11.313 -13.480 10.436 1.00 0.00 O ATOM 0 H SER 1 40 9.005 -13.772 6.812 1.00 0.00 H new ATOM 0 HA SER 1 40 10.801 -14.211 8.121 1.00 0.00 H new ATOM 0 HB2 SER 1 40 9.591 -12.524 9.826 1.00 0.00 H new ATOM 0 HB3 SER 1 40 9.341 -14.011 10.721 1.00 0.00 H new ATOM 0 HG SER 1 40 11.344 -12.978 11.277 1.00 0.00 H new ATOM 575 N ARG 1 41 8.315 -16.157 8.820 1.00 0.00 N ATOM 576 CA ARG 1 41 7.913 -17.533 9.054 1.00 0.00 C ATOM 577 C ARG 1 41 8.536 -18.455 8.003 1.00 0.00 C ATOM 578 O ARG 1 41 9.025 -19.534 8.331 1.00 0.00 O ATOM 579 CB ARG 1 41 6.390 -17.676 9.010 1.00 0.00 C ATOM 580 CG ARG 1 41 5.709 -16.496 9.703 1.00 0.00 C ATOM 581 CD ARG 1 41 4.305 -16.877 10.182 1.00 0.00 C ATOM 582 NE ARG 1 41 4.394 -17.684 11.419 1.00 0.00 N ATOM 583 CZ ARG 1 41 4.382 -19.023 11.445 1.00 0.00 C ATOM 584 NH1 ARG 1 41 4.285 -19.715 10.301 1.00 0.00 N ATOM 585 NH2 ARG 1 41 4.467 -19.672 12.614 1.00 0.00 N ATOM 0 H ARG 1 41 7.552 -15.525 8.576 1.00 0.00 H new ATOM 0 HA ARG 1 41 8.265 -17.818 10.045 1.00 0.00 H new ATOM 0 HB2 ARG 1 41 6.057 -17.736 7.974 1.00 0.00 H new ATOM 0 HB3 ARG 1 41 6.094 -18.607 9.494 1.00 0.00 H new ATOM 0 HG2 ARG 1 41 6.311 -16.171 10.552 1.00 0.00 H new ATOM 0 HG3 ARG 1 41 5.646 -15.653 9.015 1.00 0.00 H new ATOM 0 HD2 ARG 1 41 3.718 -15.977 10.366 1.00 0.00 H new ATOM 0 HD3 ARG 1 41 3.788 -17.441 9.406 1.00 0.00 H new ATOM 0 HE ARG 1 41 4.469 -17.189 12.308 1.00 0.00 H new ATOM 0 HH11 ARG 1 41 4.220 -19.222 9.411 1.00 0.00 H new ATOM 0 HH12 ARG 1 41 4.276 -20.735 10.321 1.00 0.00 H new ATOM 0 HH21 ARG 1 41 4.541 -19.146 13.485 1.00 0.00 H new ATOM 0 HH22 ARG 1 41 4.458 -20.692 12.633 1.00 0.00 H new ATOM 599 N ILE 1 42 8.497 -17.995 6.761 1.00 0.00 N ATOM 600 CA ILE 1 42 9.052 -18.764 5.660 1.00 0.00 C ATOM 601 C ILE 1 42 10.147 -17.945 4.972 1.00 0.00 C ATOM 602 O ILE 1 42 9.853 -16.988 4.257 1.00 0.00 O ATOM 603 CB ILE 1 42 7.941 -19.223 4.715 1.00 0.00 C ATOM 604 CG1 ILE 1 42 6.654 -19.525 5.486 1.00 0.00 C ATOM 605 CG2 ILE 1 42 8.396 -20.416 3.872 1.00 0.00 C ATOM 606 CD1 ILE 1 42 5.713 -20.404 4.661 1.00 0.00 C ATOM 0 H ILE 1 42 8.090 -17.099 6.493 1.00 0.00 H new ATOM 0 HA ILE 1 42 9.521 -19.676 6.030 1.00 0.00 H new ATOM 0 HB ILE 1 42 7.720 -18.407 4.027 1.00 0.00 H new ATOM 0 HG12 ILE 1 42 6.897 -20.026 6.423 1.00 0.00 H new ATOM 0 HG13 ILE 1 42 6.153 -18.592 5.744 1.00 0.00 H new ATOM 0 HG21 ILE 1 42 7.587 -20.722 3.209 1.00 0.00 H new ATOM 0 HG22 ILE 1 42 9.264 -20.132 3.278 1.00 0.00 H new ATOM 0 HG23 ILE 1 42 8.661 -21.245 4.528 1.00 0.00 H new ATOM 0 HD11 ILE 1 42 4.807 -20.603 5.233 1.00 0.00 H new ATOM 0 HD12 ILE 1 42 5.453 -19.890 3.736 1.00 0.00 H new ATOM 0 HD13 ILE 1 42 6.208 -21.346 4.426 1.00 0.00 H new ATOM 618 N PRO 1 43 11.417 -18.363 5.218 1.00 0.00 N ATOM 619 CA PRO 1 43 12.556 -17.679 4.630 1.00 0.00 C ATOM 620 C PRO 1 43 12.695 -18.021 3.146 1.00 0.00 C ATOM 621 O PRO 1 43 13.567 -17.489 2.461 1.00 0.00 O ATOM 622 CB PRO 1 43 13.751 -18.124 5.457 1.00 0.00 C ATOM 623 CG PRO 1 43 13.314 -19.391 6.175 1.00 0.00 C ATOM 624 CD PRO 1 43 11.801 -19.492 6.060 1.00 0.00 C ATOM 0 HA PRO 1 43 12.454 -16.594 4.654 1.00 0.00 H new ATOM 0 HB2 PRO 1 43 14.616 -18.314 4.822 1.00 0.00 H new ATOM 0 HB3 PRO 1 43 14.042 -17.352 6.170 1.00 0.00 H new ATOM 0 HG2 PRO 1 43 13.790 -20.265 5.731 1.00 0.00 H new ATOM 0 HG3 PRO 1 43 13.616 -19.361 7.222 1.00 0.00 H new ATOM 0 HD2 PRO 1 43 11.500 -20.440 5.613 1.00 0.00 H new ATOM 0 HD3 PRO 1 43 11.325 -19.436 7.039 1.00 0.00 H new ATOM 632 N GLY 1 44 11.820 -18.908 2.692 1.00 0.00 N ATOM 633 CA GLY 1 44 11.834 -19.328 1.301 1.00 0.00 C ATOM 634 C GLY 1 44 10.884 -18.472 0.460 1.00 0.00 C ATOM 635 O GLY 1 44 10.843 -18.602 -0.762 1.00 0.00 O ATOM 0 H GLY 1 44 11.098 -19.347 3.263 1.00 0.00 H new ATOM 0 HA2 GLY 1 44 12.846 -19.251 0.904 1.00 0.00 H new ATOM 0 HA3 GLY 1 44 11.543 -20.376 1.231 1.00 0.00 H new ATOM 639 N VAL 1 45 10.143 -17.616 1.149 1.00 0.00 N ATOM 640 CA VAL 1 45 9.197 -16.740 0.483 1.00 0.00 C ATOM 641 C VAL 1 45 9.551 -15.284 0.790 1.00 0.00 C ATOM 642 O VAL 1 45 10.555 -15.011 1.445 1.00 0.00 O ATOM 643 CB VAL 1 45 7.768 -17.106 0.890 1.00 0.00 C ATOM 644 CG1 VAL 1 45 7.633 -18.612 1.122 1.00 0.00 C ATOM 645 CG2 VAL 1 45 7.332 -16.319 2.128 1.00 0.00 C ATOM 0 H VAL 1 45 10.180 -17.511 2.163 1.00 0.00 H new ATOM 0 HA VAL 1 45 9.256 -16.867 -0.598 1.00 0.00 H new ATOM 0 HB VAL 1 45 7.105 -16.833 0.069 1.00 0.00 H new ATOM 0 HG11 VAL 1 45 6.608 -18.845 1.410 1.00 0.00 H new ATOM 0 HG12 VAL 1 45 7.882 -19.145 0.205 1.00 0.00 H new ATOM 0 HG13 VAL 1 45 8.312 -18.920 1.917 1.00 0.00 H new ATOM 0 HG21 VAL 1 45 6.313 -16.598 2.396 1.00 0.00 H new ATOM 0 HG22 VAL 1 45 8.001 -16.547 2.958 1.00 0.00 H new ATOM 0 HG23 VAL 1 45 7.371 -15.251 1.913 1.00 0.00 H new ATOM 655 N PRO 1 46 8.685 -14.363 0.288 1.00 0.00 N ATOM 656 CA PRO 1 46 8.897 -12.941 0.503 1.00 0.00 C ATOM 657 C PRO 1 46 8.544 -12.544 1.938 1.00 0.00 C ATOM 658 O PRO 1 46 7.400 -12.699 2.364 1.00 0.00 O ATOM 659 CB PRO 1 46 8.028 -12.252 -0.536 1.00 0.00 C ATOM 660 CG PRO 1 46 7.011 -13.291 -0.982 1.00 0.00 C ATOM 661 CD PRO 1 46 7.486 -14.649 -0.492 1.00 0.00 C ATOM 0 HA PRO 1 46 9.941 -12.649 0.386 1.00 0.00 H new ATOM 0 HB2 PRO 1 46 7.534 -11.377 -0.114 1.00 0.00 H new ATOM 0 HB3 PRO 1 46 8.627 -11.905 -1.378 1.00 0.00 H new ATOM 0 HG2 PRO 1 46 6.027 -13.061 -0.574 1.00 0.00 H new ATOM 0 HG3 PRO 1 46 6.915 -13.289 -2.068 1.00 0.00 H new ATOM 0 HD2 PRO 1 46 6.725 -15.139 0.116 1.00 0.00 H new ATOM 0 HD3 PRO 1 46 7.706 -15.316 -1.326 1.00 0.00 H new ATOM 669 N TRP 1 47 9.546 -12.041 2.642 1.00 0.00 N ATOM 670 CA TRP 1 47 9.355 -11.621 4.021 1.00 0.00 C ATOM 671 C TRP 1 47 8.990 -10.134 4.016 1.00 0.00 C ATOM 672 O TRP 1 47 9.297 -9.413 4.964 1.00 0.00 O ATOM 673 CB TRP 1 47 10.593 -11.930 4.865 1.00 0.00 C ATOM 674 CG TRP 1 47 11.594 -12.864 4.182 1.00 0.00 C ATOM 675 CD1 TRP 1 47 11.511 -14.193 4.031 1.00 0.00 C ATOM 676 CD2 TRP 1 47 12.840 -12.484 3.562 1.00 0.00 C ATOM 677 NE1 TRP 1 47 12.608 -14.695 3.361 1.00 0.00 N ATOM 678 CE2 TRP 1 47 13.442 -13.622 3.066 1.00 0.00 C ATOM 679 CE3 TRP 1 47 13.439 -11.219 3.424 1.00 0.00 C ATOM 680 CZ2 TRP 1 47 14.673 -13.611 2.399 1.00 0.00 C ATOM 681 CZ3 TRP 1 47 14.669 -11.225 2.755 1.00 0.00 C ATOM 682 CH2 TRP 1 47 15.287 -12.362 2.249 1.00 0.00 C ATOM 0 H TRP 1 47 10.493 -11.914 2.285 1.00 0.00 H new ATOM 0 HA TRP 1 47 8.541 -12.178 4.485 1.00 0.00 H new ATOM 0 HB2 TRP 1 47 11.095 -10.994 5.112 1.00 0.00 H new ATOM 0 HB3 TRP 1 47 10.276 -12.380 5.806 1.00 0.00 H new ATOM 0 HD1 TRP 1 47 10.689 -14.795 4.389 1.00 0.00 H new ATOM 0 HE1 TRP 1 47 12.776 -15.673 3.125 1.00 0.00 H new ATOM 0 HE3 TRP 1 47 12.986 -10.315 3.804 1.00 0.00 H new ATOM 0 HZ2 TRP 1 47 15.124 -14.517 2.021 1.00 0.00 H new ATOM 0 HZ3 TRP 1 47 15.173 -10.279 2.623 1.00 0.00 H new ATOM 0 HH2 TRP 1 47 16.237 -12.282 1.742 1.00 0.00 H new ATOM 693 N CYS 1 48 8.340 -9.721 2.937 1.00 0.00 N ATOM 694 CA CYS 1 48 7.931 -8.334 2.796 1.00 0.00 C ATOM 695 C CYS 1 48 6.970 -8.235 1.610 1.00 0.00 C ATOM 696 O CYS 1 48 7.397 -8.272 0.457 1.00 0.00 O ATOM 697 CB CYS 1 48 9.134 -7.403 2.637 1.00 0.00 C ATOM 698 SG CYS 1 48 8.764 -5.625 2.867 1.00 0.00 S ATOM 0 H CYS 1 48 8.087 -10.322 2.153 1.00 0.00 H new ATOM 0 HA CYS 1 48 7.421 -8.008 3.703 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 9.900 -7.696 3.355 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 9.557 -7.546 1.643 1.00 0.00 H new ATOM 703 N PHE 1 49 5.692 -8.112 1.933 1.00 0.00 N ATOM 704 CA PHE 1 49 4.668 -8.007 0.908 1.00 0.00 C ATOM 705 C PHE 1 49 3.577 -7.017 1.322 1.00 0.00 C ATOM 706 O PHE 1 49 3.725 -6.303 2.312 1.00 0.00 O ATOM 707 CB PHE 1 49 4.047 -9.396 0.752 1.00 0.00 C ATOM 708 CG PHE 1 49 4.102 -10.247 2.022 1.00 0.00 C ATOM 709 CD1 PHE 1 49 5.298 -10.690 2.494 1.00 0.00 C ATOM 710 CD2 PHE 1 49 2.953 -10.563 2.678 1.00 0.00 C ATOM 711 CE1 PHE 1 49 5.349 -11.480 3.672 1.00 0.00 C ATOM 712 CE2 PHE 1 49 3.004 -11.355 3.857 1.00 0.00 C ATOM 713 CZ PHE 1 49 4.200 -11.796 4.329 1.00 0.00 C ATOM 0 H PHE 1 49 5.342 -8.083 2.890 1.00 0.00 H new ATOM 0 HA PHE 1 49 5.109 -7.652 -0.023 1.00 0.00 H new ATOM 0 HB2 PHE 1 49 3.007 -9.286 0.445 1.00 0.00 H new ATOM 0 HB3 PHE 1 49 4.561 -9.925 -0.050 1.00 0.00 H new ATOM 0 HD1 PHE 1 49 6.210 -10.440 1.972 1.00 0.00 H new ATOM 0 HD2 PHE 1 49 2.003 -10.212 2.303 1.00 0.00 H new ATOM 0 HE1 PHE 1 49 6.299 -11.830 4.047 1.00 0.00 H new ATOM 0 HE2 PHE 1 49 2.092 -11.607 4.378 1.00 0.00 H new ATOM 0 HZ PHE 1 49 4.238 -12.397 5.225 1.00 0.00 H new ATOM 723 N LYS 1 50 2.504 -7.008 0.544 1.00 0.00 N ATOM 724 CA LYS 1 50 1.389 -6.118 0.817 1.00 0.00 C ATOM 725 C LYS 1 50 0.121 -6.947 1.032 1.00 0.00 C ATOM 726 O LYS 1 50 -0.788 -6.925 0.203 1.00 0.00 O ATOM 727 CB LYS 1 50 1.257 -5.068 -0.289 1.00 0.00 C ATOM 728 CG LYS 1 50 2.296 -5.296 -1.388 1.00 0.00 C ATOM 729 CD LYS 1 50 3.646 -4.691 -0.998 1.00 0.00 C ATOM 730 CE LYS 1 50 3.467 -3.311 -0.362 1.00 0.00 C ATOM 731 NZ LYS 1 50 2.488 -2.510 -1.132 1.00 0.00 N ATOM 0 H LYS 1 50 2.384 -7.603 -0.275 1.00 0.00 H new ATOM 0 HA LYS 1 50 1.565 -5.559 1.736 1.00 0.00 H new ATOM 0 HB2 LYS 1 50 0.255 -5.109 -0.717 1.00 0.00 H new ATOM 0 HB3 LYS 1 50 1.383 -4.071 0.134 1.00 0.00 H new ATOM 0 HG2 LYS 1 50 2.411 -6.365 -1.569 1.00 0.00 H new ATOM 0 HG3 LYS 1 50 1.949 -4.850 -2.320 1.00 0.00 H new ATOM 0 HD2 LYS 1 50 4.157 -5.354 -0.299 1.00 0.00 H new ATOM 0 HD3 LYS 1 50 4.280 -4.609 -1.881 1.00 0.00 H new ATOM 0 HE2 LYS 1 50 3.127 -3.420 0.668 1.00 0.00 H new ATOM 0 HE3 LYS 1 50 4.425 -2.792 -0.329 1.00 0.00 H new ATOM 0 HZ1 LYS 1 50 2.799 -1.518 -1.164 1.00 0.00 H new ATOM 0 HZ2 LYS 1 50 2.420 -2.883 -2.101 1.00 0.00 H new ATOM 0 HZ3 LYS 1 50 1.556 -2.566 -0.673 1.00 0.00 H new ATOM 745 N PRO 1 51 0.100 -7.679 2.178 1.00 0.00 N ATOM 746 CA PRO 1 51 -1.041 -8.514 2.512 1.00 0.00 C ATOM 747 C PRO 1 51 -2.219 -7.666 2.992 1.00 0.00 C ATOM 748 O PRO 1 51 -3.000 -7.168 2.182 1.00 0.00 O ATOM 749 CB PRO 1 51 -0.528 -9.473 3.574 1.00 0.00 C ATOM 750 CG PRO 1 51 0.740 -8.843 4.129 1.00 0.00 C ATOM 751 CD PRO 1 51 1.159 -7.730 3.182 1.00 0.00 C ATOM 0 HA PRO 1 51 -1.428 -9.061 1.653 1.00 0.00 H new ATOM 0 HB2 PRO 1 51 -1.269 -9.617 4.360 1.00 0.00 H new ATOM 0 HB3 PRO 1 51 -0.322 -10.454 3.147 1.00 0.00 H new ATOM 0 HG2 PRO 1 51 0.564 -8.447 5.129 1.00 0.00 H new ATOM 0 HG3 PRO 1 51 1.530 -9.588 4.216 1.00 0.00 H new ATOM 0 HD2 PRO 1 51 1.254 -6.779 3.706 1.00 0.00 H new ATOM 0 HD3 PRO 1 51 2.127 -7.941 2.727 1.00 0.00 H new ATOM 759 N LEU 1 52 -2.311 -7.527 4.306 1.00 0.00 N ATOM 760 CA LEU 1 52 -3.382 -6.747 4.903 1.00 0.00 C ATOM 761 C LEU 1 52 -2.908 -5.306 5.100 1.00 0.00 C ATOM 762 O LEU 1 52 -3.373 -4.613 6.004 1.00 0.00 O ATOM 763 CB LEU 1 52 -3.877 -7.412 6.189 1.00 0.00 C ATOM 764 CG LEU 1 52 -3.319 -6.844 7.496 1.00 0.00 C ATOM 765 CD1 LEU 1 52 -3.485 -7.843 8.643 1.00 0.00 C ATOM 766 CD2 LEU 1 52 -1.864 -6.404 7.326 1.00 0.00 C ATOM 0 H LEU 1 52 -1.661 -7.941 4.974 1.00 0.00 H new ATOM 0 HA LEU 1 52 -4.244 -6.712 4.237 1.00 0.00 H new ATOM 0 HB2 LEU 1 52 -4.964 -7.337 6.218 1.00 0.00 H new ATOM 0 HB3 LEU 1 52 -3.632 -8.473 6.143 1.00 0.00 H new ATOM 0 HG LEU 1 52 -3.896 -5.956 7.756 1.00 0.00 H new ATOM 0 HD11 LEU 1 52 -3.080 -7.415 9.560 1.00 0.00 H new ATOM 0 HD12 LEU 1 52 -4.543 -8.065 8.782 1.00 0.00 H new ATOM 0 HD13 LEU 1 52 -2.950 -8.762 8.405 1.00 0.00 H new ATOM 0 HD21 LEU 1 52 -1.492 -6.004 8.269 1.00 0.00 H new ATOM 0 HD22 LEU 1 52 -1.257 -7.260 7.030 1.00 0.00 H new ATOM 0 HD23 LEU 1 52 -1.804 -5.634 6.557 1.00 0.00 H new ATOM 778 N GLN 1 53 -1.991 -4.895 4.236 1.00 0.00 N ATOM 779 CA GLN 1 53 -1.450 -3.548 4.303 1.00 0.00 C ATOM 780 C GLN 1 53 -2.582 -2.519 4.276 1.00 0.00 C ATOM 781 O GLN 1 53 -2.410 -1.390 4.733 1.00 0.00 O ATOM 782 CB GLN 1 53 -0.456 -3.300 3.168 1.00 0.00 C ATOM 783 CG GLN 1 53 0.752 -4.232 3.282 1.00 0.00 C ATOM 784 CD GLN 1 53 1.385 -4.141 4.671 1.00 0.00 C ATOM 785 OE1 GLN 1 53 2.131 -3.227 4.983 1.00 0.00 O ATOM 786 NE2 GLN 1 53 1.047 -5.137 5.486 1.00 0.00 N ATOM 0 H GLN 1 53 -1.609 -5.471 3.486 1.00 0.00 H new ATOM 0 HA GLN 1 53 -0.911 -3.440 5.244 1.00 0.00 H new ATOM 0 HB2 GLN 1 53 -0.949 -3.454 2.208 1.00 0.00 H new ATOM 0 HB3 GLN 1 53 -0.123 -2.263 3.192 1.00 0.00 H new ATOM 0 HG2 GLN 1 53 0.443 -5.259 3.086 1.00 0.00 H new ATOM 0 HG3 GLN 1 53 1.490 -3.971 2.524 1.00 0.00 H new ATOM 0 HE21 GLN 1 53 0.417 -5.871 5.161 1.00 0.00 H new ATOM 0 HE22 GLN 1 53 1.417 -5.167 6.436 1.00 0.00 H new ATOM 795 N GLU 1 54 -3.715 -2.947 3.738 1.00 0.00 N ATOM 796 CA GLU 1 54 -4.874 -2.077 3.645 1.00 0.00 C ATOM 797 C GLU 1 54 -5.003 -1.226 4.910 1.00 0.00 C ATOM 798 O GLU 1 54 -5.538 -0.120 4.867 1.00 0.00 O ATOM 799 CB GLU 1 54 -6.149 -2.887 3.396 1.00 0.00 C ATOM 800 CG GLU 1 54 -6.833 -3.249 4.716 1.00 0.00 C ATOM 801 CD GLU 1 54 -7.815 -2.156 5.142 1.00 0.00 C ATOM 802 OE1 GLU 1 54 -8.409 -1.539 4.231 1.00 0.00 O ATOM 803 OE2 GLU 1 54 -7.951 -1.962 6.369 1.00 0.00 O ATOM 0 H GLU 1 54 -3.854 -3.885 3.362 1.00 0.00 H new ATOM 0 HA GLU 1 54 -4.735 -1.409 2.795 1.00 0.00 H new ATOM 0 HB2 GLU 1 54 -6.834 -2.312 2.773 1.00 0.00 H new ATOM 0 HB3 GLU 1 54 -5.905 -3.796 2.847 1.00 0.00 H new ATOM 0 HG2 GLU 1 54 -7.362 -4.196 4.608 1.00 0.00 H new ATOM 0 HG3 GLU 1 54 -6.081 -3.390 5.493 1.00 0.00 H new ATOM 810 N ALA 1 55 -4.502 -1.776 6.007 1.00 0.00 N ATOM 811 CA ALA 1 55 -4.555 -1.083 7.283 1.00 0.00 C ATOM 812 C ALA 1 55 -4.336 0.415 7.053 1.00 0.00 C ATOM 813 O ALA 1 55 -5.251 1.215 7.243 1.00 0.00 O ATOM 814 CB ALA 1 55 -3.518 -1.683 8.234 1.00 0.00 C ATOM 0 H ALA 1 55 -4.058 -2.694 6.038 1.00 0.00 H new ATOM 0 HA ALA 1 55 -5.533 -1.207 7.747 1.00 0.00 H new ATOM 0 HB1 ALA 1 55 -3.558 -1.163 9.191 1.00 0.00 H new ATOM 0 HB2 ALA 1 55 -3.733 -2.741 8.387 1.00 0.00 H new ATOM 0 HB3 ALA 1 55 -2.523 -1.574 7.803 1.00 0.00 H new ATOM 820 N GLU 1 56 -3.120 0.748 6.647 1.00 0.00 N ATOM 821 CA GLU 1 56 -2.770 2.134 6.390 1.00 0.00 C ATOM 822 C GLU 1 56 -2.096 2.266 5.022 1.00 0.00 C ATOM 823 O GLU 1 56 -1.329 3.200 4.792 1.00 0.00 O ATOM 824 CB GLU 1 56 -1.873 2.688 7.499 1.00 0.00 C ATOM 825 CG GLU 1 56 -2.582 2.637 8.854 1.00 0.00 C ATOM 826 CD GLU 1 56 -1.585 2.820 10.000 1.00 0.00 C ATOM 827 OE1 GLU 1 56 -0.825 1.860 10.251 1.00 0.00 O ATOM 828 OE2 GLU 1 56 -1.607 3.917 10.601 1.00 0.00 O ATOM 0 H GLU 1 56 -2.364 0.081 6.490 1.00 0.00 H new ATOM 0 HA GLU 1 56 -3.686 2.724 6.381 1.00 0.00 H new ATOM 0 HB2 GLU 1 56 -0.949 2.112 7.546 1.00 0.00 H new ATOM 0 HB3 GLU 1 56 -1.596 3.717 7.268 1.00 0.00 H new ATOM 0 HG2 GLU 1 56 -3.342 3.417 8.900 1.00 0.00 H new ATOM 0 HG3 GLU 1 56 -3.097 1.683 8.964 1.00 0.00 H new ATOM 835 N CYS 1 57 -2.407 1.318 4.151 1.00 0.00 N ATOM 836 CA CYS 1 57 -1.842 1.317 2.813 1.00 0.00 C ATOM 837 C CYS 1 57 -2.919 1.792 1.835 1.00 0.00 C ATOM 838 O CYS 1 57 -2.710 2.751 1.095 1.00 0.00 O ATOM 839 CB CYS 1 57 -1.293 -0.059 2.432 1.00 0.00 C ATOM 840 SG CYS 1 57 -0.042 -0.044 1.096 1.00 0.00 S ATOM 0 H CYS 1 57 -3.043 0.545 4.346 1.00 0.00 H new ATOM 0 HA CYS 1 57 -0.992 1.998 2.775 1.00 0.00 H new ATOM 0 HB2 CYS 1 57 -0.852 -0.517 3.318 1.00 0.00 H new ATOM 0 HB3 CYS 1 57 -2.124 -0.694 2.125 1.00 0.00 H new ATOM 845 N THR 1 58 -4.048 1.099 1.867 1.00 0.00 N ATOM 846 CA THR 1 58 -5.157 1.438 0.992 1.00 0.00 C ATOM 847 C THR 1 58 -5.918 2.648 1.542 1.00 0.00 C ATOM 848 O THR 1 58 -6.363 3.505 0.779 1.00 0.00 O ATOM 849 CB THR 1 58 -6.031 0.192 0.833 1.00 0.00 C ATOM 850 OG1 THR 1 58 -6.912 0.521 -0.239 1.00 0.00 O ATOM 851 CG2 THR 1 58 -6.962 -0.027 2.026 1.00 0.00 C ATOM 0 H THR 1 58 -4.218 0.305 2.484 1.00 0.00 H new ATOM 0 HA THR 1 58 -4.806 1.735 0.004 1.00 0.00 H new ATOM 0 HB THR 1 58 -5.395 -0.683 0.704 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -7.816 0.207 -0.028 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -7.559 -0.924 1.862 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -6.369 -0.147 2.933 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -7.622 0.834 2.135 1.00 0.00 H new ATOM 859 N PHE 1 59 -6.045 2.678 2.860 1.00 0.00 N ATOM 860 CA PHE 1 59 -6.744 3.768 3.520 1.00 0.00 C ATOM 861 C PHE 1 59 -6.526 5.088 2.778 1.00 0.00 C ATOM 862 O PHE 1 59 -7.477 5.686 2.276 1.00 0.00 O ATOM 863 CB PHE 1 59 -6.160 3.885 4.929 1.00 0.00 C ATOM 864 CG PHE 1 59 -6.849 4.936 5.802 1.00 0.00 C ATOM 865 CD1 PHE 1 59 -8.021 4.638 6.424 1.00 0.00 C ATOM 866 CD2 PHE 1 59 -6.290 6.165 5.957 1.00 0.00 C ATOM 867 CE1 PHE 1 59 -8.661 5.612 7.235 1.00 0.00 C ATOM 868 CE2 PHE 1 59 -6.930 7.139 6.768 1.00 0.00 C ATOM 869 CZ PHE 1 59 -8.102 6.843 7.389 1.00 0.00 C ATOM 0 H PHE 1 59 -5.676 1.965 3.489 1.00 0.00 H new ATOM 0 HA PHE 1 59 -7.815 3.566 3.539 1.00 0.00 H new ATOM 0 HB2 PHE 1 59 -6.230 2.915 5.422 1.00 0.00 H new ATOM 0 HB3 PHE 1 59 -5.100 4.128 4.853 1.00 0.00 H new ATOM 0 HD1 PHE 1 59 -8.465 3.661 6.301 1.00 0.00 H new ATOM 0 HD2 PHE 1 59 -5.359 6.401 5.463 1.00 0.00 H new ATOM 0 HE1 PHE 1 59 -9.592 5.376 7.730 1.00 0.00 H new ATOM 0 HE2 PHE 1 59 -6.485 8.115 6.891 1.00 0.00 H new ATOM 0 HZ PHE 1 59 -8.590 7.585 8.005 1.00 0.00 H new TER 879 PHE 1 59 ATOM 880 N GLU 2 1 -20.438 -1.851 -1.262 1.00 0.00 N ATOM 881 CA GLU 2 1 -21.031 -1.961 -2.584 1.00 0.00 C ATOM 882 C GLU 2 1 -20.659 -0.745 -3.435 1.00 0.00 C ATOM 883 O GLU 2 1 -20.443 -0.870 -4.640 1.00 0.00 O ATOM 884 CB GLU 2 1 -22.550 -2.123 -2.491 1.00 0.00 C ATOM 885 CG GLU 2 1 -23.200 -0.867 -1.908 1.00 0.00 C ATOM 886 CD GLU 2 1 -24.597 -1.175 -1.365 1.00 0.00 C ATOM 887 OE1 GLU 2 1 -25.543 -1.148 -2.182 1.00 0.00 O ATOM 888 OE2 GLU 2 1 -24.688 -1.430 -0.144 1.00 0.00 O ATOM 0 H1 GLU 2 1 -19.872 -2.701 -1.064 1.00 0.00 H new ATOM 0 H2 GLU 2 1 -19.826 -1.011 -1.225 1.00 0.00 H new ATOM 0 H3 GLU 2 1 -21.191 -1.763 -0.550 1.00 0.00 H new ATOM 0 HA GLU 2 1 -20.633 -2.853 -3.067 1.00 0.00 H new ATOM 0 HB2 GLU 2 1 -22.959 -2.323 -3.481 1.00 0.00 H new ATOM 0 HB3 GLU 2 1 -22.790 -2.984 -1.867 1.00 0.00 H new ATOM 0 HG2 GLU 2 1 -22.575 -0.467 -1.109 1.00 0.00 H new ATOM 0 HG3 GLU 2 1 -23.266 -0.097 -2.677 1.00 0.00 H new ATOM 895 N GLU 2 2 -20.597 0.401 -2.776 1.00 0.00 N ATOM 896 CA GLU 2 2 -20.255 1.639 -3.457 1.00 0.00 C ATOM 897 C GLU 2 2 -18.736 1.806 -3.523 1.00 0.00 C ATOM 898 O GLU 2 2 -18.190 2.766 -2.982 1.00 0.00 O ATOM 899 CB GLU 2 2 -20.910 2.841 -2.772 1.00 0.00 C ATOM 900 CG GLU 2 2 -20.378 3.018 -1.349 1.00 0.00 C ATOM 901 CD GLU 2 2 -21.505 3.391 -0.384 1.00 0.00 C ATOM 902 OE1 GLU 2 2 -22.432 2.563 -0.247 1.00 0.00 O ATOM 903 OE2 GLU 2 2 -21.414 4.495 0.194 1.00 0.00 O ATOM 0 H GLU 2 2 -20.778 0.500 -1.777 1.00 0.00 H new ATOM 0 HA GLU 2 2 -20.640 1.589 -4.476 1.00 0.00 H new ATOM 0 HB2 GLU 2 2 -20.717 3.744 -3.351 1.00 0.00 H new ATOM 0 HB3 GLU 2 2 -21.991 2.704 -2.746 1.00 0.00 H new ATOM 0 HG2 GLU 2 2 -19.902 2.095 -1.018 1.00 0.00 H new ATOM 0 HG3 GLU 2 2 -19.613 3.794 -1.337 1.00 0.00 H new ATOM 910 N TYR 2 3 -18.097 0.857 -4.192 1.00 0.00 N ATOM 911 CA TYR 2 3 -16.652 0.888 -4.336 1.00 0.00 C ATOM 912 C TYR 2 3 -16.244 1.619 -5.617 1.00 0.00 C ATOM 913 O TYR 2 3 -15.754 1.000 -6.560 1.00 0.00 O ATOM 914 CB TYR 2 3 -16.207 -0.573 -4.434 1.00 0.00 C ATOM 915 CG TYR 2 3 -17.113 -1.443 -5.307 1.00 0.00 C ATOM 916 CD1 TYR 2 3 -16.857 -1.568 -6.657 1.00 0.00 C ATOM 917 CD2 TYR 2 3 -18.187 -2.103 -4.744 1.00 0.00 C ATOM 918 CE1 TYR 2 3 -17.711 -2.386 -7.479 1.00 0.00 C ATOM 919 CE2 TYR 2 3 -19.040 -2.921 -5.566 1.00 0.00 C ATOM 920 CZ TYR 2 3 -18.760 -3.023 -6.892 1.00 0.00 C ATOM 921 OH TYR 2 3 -19.566 -3.796 -7.669 1.00 0.00 O ATOM 0 H TYR 2 3 -18.554 0.062 -4.640 1.00 0.00 H new ATOM 0 HA TYR 2 3 -16.194 1.410 -3.496 1.00 0.00 H new ATOM 0 HB2 TYR 2 3 -15.193 -0.607 -4.833 1.00 0.00 H new ATOM 0 HB3 TYR 2 3 -16.169 -0.998 -3.431 1.00 0.00 H new ATOM 0 HD1 TYR 2 3 -16.016 -1.052 -7.097 1.00 0.00 H new ATOM 0 HD2 TYR 2 3 -18.387 -2.006 -3.687 1.00 0.00 H new ATOM 0 HE1 TYR 2 3 -17.523 -2.491 -8.537 1.00 0.00 H new ATOM 0 HE2 TYR 2 3 -19.884 -3.442 -5.138 1.00 0.00 H new ATOM 0 HH TYR 2 3 -20.273 -4.190 -7.116 1.00 0.00 H new ATOM 931 N VAL 2 4 -16.462 2.926 -5.609 1.00 0.00 N ATOM 932 CA VAL 2 4 -16.123 3.748 -6.759 1.00 0.00 C ATOM 933 C VAL 2 4 -15.207 4.889 -6.312 1.00 0.00 C ATOM 934 O VAL 2 4 -14.122 5.071 -6.861 1.00 0.00 O ATOM 935 CB VAL 2 4 -17.399 4.239 -7.445 1.00 0.00 C ATOM 936 CG1 VAL 2 4 -18.258 3.062 -7.911 1.00 0.00 C ATOM 937 CG2 VAL 2 4 -18.193 5.168 -6.526 1.00 0.00 C ATOM 0 H VAL 2 4 -16.869 3.436 -4.825 1.00 0.00 H new ATOM 0 HA VAL 2 4 -15.577 3.164 -7.499 1.00 0.00 H new ATOM 0 HB VAL 2 4 -17.107 4.810 -8.326 1.00 0.00 H new ATOM 0 HG11 VAL 2 4 -19.159 3.438 -8.395 1.00 0.00 H new ATOM 0 HG12 VAL 2 4 -17.692 2.456 -8.618 1.00 0.00 H new ATOM 0 HG13 VAL 2 4 -18.536 2.452 -7.052 1.00 0.00 H new ATOM 0 HG21 VAL 2 4 -19.095 5.503 -7.038 1.00 0.00 H new ATOM 0 HG22 VAL 2 4 -18.469 4.632 -5.618 1.00 0.00 H new ATOM 0 HG23 VAL 2 4 -17.582 6.032 -6.266 1.00 0.00 H new ATOM 947 N GLY 2 5 -15.679 5.629 -5.319 1.00 0.00 N ATOM 948 CA GLY 2 5 -14.916 6.748 -4.791 1.00 0.00 C ATOM 949 C GLY 2 5 -13.690 6.259 -4.016 1.00 0.00 C ATOM 950 O GLY 2 5 -12.937 7.063 -3.469 1.00 0.00 O ATOM 0 H GLY 2 5 -16.580 5.476 -4.866 1.00 0.00 H new ATOM 0 HA2 GLY 2 5 -14.599 7.395 -5.609 1.00 0.00 H new ATOM 0 HA3 GLY 2 5 -15.549 7.348 -4.137 1.00 0.00 H new ATOM 954 N LEU 2 6 -13.529 4.944 -3.994 1.00 0.00 N ATOM 955 CA LEU 2 6 -12.408 4.339 -3.296 1.00 0.00 C ATOM 956 C LEU 2 6 -11.819 3.220 -4.158 1.00 0.00 C ATOM 957 O LEU 2 6 -11.058 2.389 -3.666 1.00 0.00 O ATOM 958 CB LEU 2 6 -12.831 3.882 -1.899 1.00 0.00 C ATOM 959 CG LEU 2 6 -14.267 3.367 -1.768 1.00 0.00 C ATOM 960 CD1 LEU 2 6 -14.406 2.434 -0.564 1.00 0.00 C ATOM 961 CD2 LEU 2 6 -15.262 4.527 -1.712 1.00 0.00 C ATOM 0 H LEU 2 6 -14.157 4.281 -4.449 1.00 0.00 H new ATOM 0 HA LEU 2 6 -11.616 5.071 -3.140 1.00 0.00 H new ATOM 0 HB2 LEU 2 6 -12.152 3.093 -1.575 1.00 0.00 H new ATOM 0 HB3 LEU 2 6 -12.701 4.717 -1.210 1.00 0.00 H new ATOM 0 HG LEU 2 6 -14.504 2.783 -2.657 1.00 0.00 H new ATOM 0 HD11 LEU 2 6 -15.435 2.082 -0.493 1.00 0.00 H new ATOM 0 HD12 LEU 2 6 -13.738 1.581 -0.686 1.00 0.00 H new ATOM 0 HD13 LEU 2 6 -14.144 2.973 0.346 1.00 0.00 H new ATOM 0 HD21 LEU 2 6 -16.274 4.134 -1.619 1.00 0.00 H new ATOM 0 HD22 LEU 2 6 -15.037 5.158 -0.852 1.00 0.00 H new ATOM 0 HD23 LEU 2 6 -15.185 5.117 -2.625 1.00 0.00 H new ATOM 973 N SER 2 7 -12.195 3.236 -5.428 1.00 0.00 N ATOM 974 CA SER 2 7 -11.713 2.232 -6.362 1.00 0.00 C ATOM 975 C SER 2 7 -10.702 2.857 -7.326 1.00 0.00 C ATOM 976 O SER 2 7 -10.241 3.976 -7.108 1.00 0.00 O ATOM 977 CB SER 2 7 -12.871 1.605 -7.142 1.00 0.00 C ATOM 978 OG SER 2 7 -12.910 0.189 -6.993 1.00 0.00 O ATOM 0 H SER 2 7 -12.827 3.927 -5.832 1.00 0.00 H new ATOM 0 HA SER 2 7 -11.223 1.442 -5.793 1.00 0.00 H new ATOM 0 HB2 SER 2 7 -13.813 2.032 -6.798 1.00 0.00 H new ATOM 0 HB3 SER 2 7 -12.774 1.856 -8.198 1.00 0.00 H new ATOM 0 HG SER 2 7 -13.821 -0.091 -6.765 1.00 0.00 H new ATOM 984 N ALA 2 8 -10.385 2.106 -8.371 1.00 0.00 N ATOM 985 CA ALA 2 8 -9.437 2.571 -9.368 1.00 0.00 C ATOM 986 C ALA 2 8 -9.962 3.863 -10.000 1.00 0.00 C ATOM 987 O ALA 2 8 -10.636 3.825 -11.028 1.00 0.00 O ATOM 988 CB ALA 2 8 -9.201 1.470 -10.402 1.00 0.00 C ATOM 0 H ALA 2 8 -10.769 1.178 -8.548 1.00 0.00 H new ATOM 0 HA ALA 2 8 -8.475 2.796 -8.908 1.00 0.00 H new ATOM 0 HB1 ALA 2 8 -8.489 1.820 -11.150 1.00 0.00 H new ATOM 0 HB2 ALA 2 8 -8.801 0.585 -9.907 1.00 0.00 H new ATOM 0 HB3 ALA 2 8 -10.144 1.219 -10.888 1.00 0.00 H new ATOM 994 N ASN 2 9 -9.632 4.974 -9.359 1.00 0.00 N ATOM 995 CA ASN 2 9 -10.061 6.274 -9.846 1.00 0.00 C ATOM 996 C ASN 2 9 -10.001 7.287 -8.701 1.00 0.00 C ATOM 997 O ASN 2 9 -9.886 8.489 -8.937 1.00 0.00 O ATOM 998 CB ASN 2 9 -11.502 6.222 -10.357 1.00 0.00 C ATOM 999 CG ASN 2 9 -12.113 7.624 -10.415 1.00 0.00 C ATOM 1000 OD1 ASN 2 9 -13.070 7.941 -9.727 1.00 0.00 O ATOM 1001 ND2 ASN 2 9 -11.510 8.442 -11.272 1.00 0.00 N ATOM 0 H ASN 2 9 -9.073 5.001 -8.507 1.00 0.00 H new ATOM 0 HA ASN 2 9 -9.399 6.564 -10.662 1.00 0.00 H new ATOM 0 HB2 ASN 2 9 -11.524 5.770 -11.349 1.00 0.00 H new ATOM 0 HB3 ASN 2 9 -12.101 5.587 -9.704 1.00 0.00 H new ATOM 0 HD21 ASN 2 9 -11.844 9.399 -11.384 1.00 0.00 H new ATOM 0 HD22 ASN 2 9 -10.713 8.112 -11.817 1.00 0.00 H new ATOM 1008 N GLN 2 10 -10.082 6.765 -7.487 1.00 0.00 N ATOM 1009 CA GLN 2 10 -10.038 7.610 -6.304 1.00 0.00 C ATOM 1010 C GLN 2 10 -8.750 8.434 -6.288 1.00 0.00 C ATOM 1011 O GLN 2 10 -8.758 9.596 -5.882 1.00 0.00 O ATOM 1012 CB GLN 2 10 -10.171 6.775 -5.029 1.00 0.00 C ATOM 1013 CG GLN 2 10 -10.275 7.672 -3.795 1.00 0.00 C ATOM 1014 CD GLN 2 10 -10.296 6.840 -2.511 1.00 0.00 C ATOM 1015 OE1 GLN 2 10 -11.281 6.782 -1.794 1.00 0.00 O ATOM 1016 NE2 GLN 2 10 -9.157 6.200 -2.263 1.00 0.00 N ATOM 0 H GLN 2 10 -10.178 5.768 -7.296 1.00 0.00 H new ATOM 0 HA GLN 2 10 -10.884 8.296 -6.340 1.00 0.00 H new ATOM 0 HB2 GLN 2 10 -11.054 6.140 -5.097 1.00 0.00 H new ATOM 0 HB3 GLN 2 10 -9.310 6.114 -4.931 1.00 0.00 H new ATOM 0 HG2 GLN 2 10 -9.432 8.362 -3.771 1.00 0.00 H new ATOM 0 HG3 GLN 2 10 -11.180 8.276 -3.856 1.00 0.00 H new ATOM 0 HE21 GLN 2 10 -8.370 6.292 -2.905 1.00 0.00 H new ATOM 0 HE22 GLN 2 10 -9.070 5.617 -1.430 1.00 0.00 H new ATOM 1025 N CYS 2 11 -7.675 7.803 -6.735 1.00 0.00 N ATOM 1026 CA CYS 2 11 -6.382 8.463 -6.777 1.00 0.00 C ATOM 1027 C CYS 2 11 -6.505 9.704 -7.665 1.00 0.00 C ATOM 1028 O CYS 2 11 -5.613 10.550 -7.682 1.00 0.00 O ATOM 1029 CB CYS 2 11 -5.280 7.521 -7.263 1.00 0.00 C ATOM 1030 SG CYS 2 11 -3.698 8.339 -7.684 1.00 0.00 S ATOM 0 H CYS 2 11 -7.673 6.840 -7.072 1.00 0.00 H new ATOM 0 HA CYS 2 11 -6.092 8.764 -5.770 1.00 0.00 H new ATOM 0 HB2 CYS 2 11 -5.092 6.775 -6.490 1.00 0.00 H new ATOM 0 HB3 CYS 2 11 -5.641 6.986 -8.141 1.00 0.00 H new ATOM 1035 N ALA 2 12 -7.618 9.772 -8.381 1.00 0.00 N ATOM 1036 CA ALA 2 12 -7.869 10.894 -9.269 1.00 0.00 C ATOM 1037 C ALA 2 12 -8.762 11.911 -8.557 1.00 0.00 C ATOM 1038 O ALA 2 12 -9.415 12.728 -9.204 1.00 0.00 O ATOM 1039 CB ALA 2 12 -8.487 10.385 -10.572 1.00 0.00 C ATOM 0 H ALA 2 12 -8.356 9.068 -8.364 1.00 0.00 H new ATOM 0 HA ALA 2 12 -6.937 11.397 -9.526 1.00 0.00 H new ATOM 0 HB1 ALA 2 12 -8.675 11.227 -11.238 1.00 0.00 H new ATOM 0 HB2 ALA 2 12 -7.800 9.688 -11.053 1.00 0.00 H new ATOM 0 HB3 ALA 2 12 -9.426 9.877 -10.355 1.00 0.00 H new ATOM 1045 N VAL 2 13 -8.761 11.829 -7.235 1.00 0.00 N ATOM 1046 CA VAL 2 13 -9.563 12.733 -6.428 1.00 0.00 C ATOM 1047 C VAL 2 13 -9.435 14.153 -6.982 1.00 0.00 C ATOM 1048 O VAL 2 13 -8.553 14.431 -7.794 1.00 0.00 O ATOM 1049 CB VAL 2 13 -9.154 12.626 -4.957 1.00 0.00 C ATOM 1050 CG1 VAL 2 13 -10.061 11.648 -4.207 1.00 0.00 C ATOM 1051 CG2 VAL 2 13 -7.684 12.222 -4.826 1.00 0.00 C ATOM 0 H VAL 2 13 -8.217 11.150 -6.702 1.00 0.00 H new ATOM 0 HA VAL 2 13 -10.616 12.457 -6.479 1.00 0.00 H new ATOM 0 HB VAL 2 13 -9.273 13.609 -4.502 1.00 0.00 H new ATOM 0 HG11 VAL 2 13 -9.750 11.590 -3.164 1.00 0.00 H new ATOM 0 HG12 VAL 2 13 -11.093 11.996 -4.259 1.00 0.00 H new ATOM 0 HG13 VAL 2 13 -9.988 10.661 -4.663 1.00 0.00 H new ATOM 0 HG21 VAL 2 13 -7.418 12.153 -3.771 1.00 0.00 H new ATOM 0 HG22 VAL 2 13 -7.529 11.255 -5.304 1.00 0.00 H new ATOM 0 HG23 VAL 2 13 -7.056 12.970 -5.310 1.00 0.00 H new ATOM 1061 N PRO 2 14 -10.352 15.040 -6.508 1.00 0.00 N ATOM 1062 CA PRO 2 14 -10.350 16.425 -6.947 1.00 0.00 C ATOM 1063 C PRO 2 14 -9.207 17.205 -6.294 1.00 0.00 C ATOM 1064 O PRO 2 14 -9.079 18.412 -6.496 1.00 0.00 O ATOM 1065 CB PRO 2 14 -11.722 16.958 -6.572 1.00 0.00 C ATOM 1066 CG PRO 2 14 -12.271 16.000 -5.527 1.00 0.00 C ATOM 1067 CD PRO 2 14 -11.410 14.748 -5.545 1.00 0.00 C ATOM 0 HA PRO 2 14 -10.177 16.527 -8.018 1.00 0.00 H new ATOM 0 HB2 PRO 2 14 -11.652 17.971 -6.175 1.00 0.00 H new ATOM 0 HB3 PRO 2 14 -12.375 17.002 -7.443 1.00 0.00 H new ATOM 0 HG2 PRO 2 14 -12.253 16.461 -4.540 1.00 0.00 H new ATOM 0 HG3 PRO 2 14 -13.310 15.752 -5.745 1.00 0.00 H new ATOM 0 HD2 PRO 2 14 -10.999 14.535 -4.558 1.00 0.00 H new ATOM 0 HD3 PRO 2 14 -11.988 13.874 -5.845 1.00 0.00 H new ATOM 1075 N ALA 2 15 -8.404 16.484 -5.525 1.00 0.00 N ATOM 1076 CA ALA 2 15 -7.276 17.093 -4.842 1.00 0.00 C ATOM 1077 C ALA 2 15 -7.751 17.692 -3.516 1.00 0.00 C ATOM 1078 O ALA 2 15 -7.577 18.885 -3.272 1.00 0.00 O ATOM 1079 CB ALA 2 15 -6.629 18.138 -5.754 1.00 0.00 C ATOM 0 H ALA 2 15 -8.513 15.483 -5.360 1.00 0.00 H new ATOM 0 HA ALA 2 15 -6.517 16.345 -4.614 1.00 0.00 H new ATOM 0 HB1 ALA 2 15 -5.783 18.595 -5.241 1.00 0.00 H new ATOM 0 HB2 ALA 2 15 -6.282 17.658 -6.669 1.00 0.00 H new ATOM 0 HB3 ALA 2 15 -7.360 18.907 -6.002 1.00 0.00 H new ATOM 1085 N LYS 2 16 -8.341 16.836 -2.695 1.00 0.00 N ATOM 1086 CA LYS 2 16 -8.842 17.266 -1.400 1.00 0.00 C ATOM 1087 C LYS 2 16 -9.674 16.140 -0.782 1.00 0.00 C ATOM 1088 O LYS 2 16 -10.755 16.385 -0.246 1.00 0.00 O ATOM 1089 CB LYS 2 16 -9.598 18.590 -1.530 1.00 0.00 C ATOM 1090 CG LYS 2 16 -10.261 18.709 -2.905 1.00 0.00 C ATOM 1091 CD LYS 2 16 -11.733 19.105 -2.771 1.00 0.00 C ATOM 1092 CE LYS 2 16 -12.507 18.068 -1.954 1.00 0.00 C ATOM 1093 NZ LYS 2 16 -13.942 18.089 -2.317 1.00 0.00 N ATOM 0 H LYS 2 16 -8.483 15.847 -2.901 1.00 0.00 H new ATOM 0 HA LYS 2 16 -8.015 17.464 -0.718 1.00 0.00 H new ATOM 0 HB2 LYS 2 16 -10.356 18.659 -0.749 1.00 0.00 H new ATOM 0 HB3 LYS 2 16 -8.910 19.422 -1.380 1.00 0.00 H new ATOM 0 HG2 LYS 2 16 -9.734 19.452 -3.504 1.00 0.00 H new ATOM 0 HG3 LYS 2 16 -10.183 17.759 -3.434 1.00 0.00 H new ATOM 0 HD2 LYS 2 16 -11.809 20.081 -2.292 1.00 0.00 H new ATOM 0 HD3 LYS 2 16 -12.179 19.200 -3.761 1.00 0.00 H new ATOM 0 HE2 LYS 2 16 -12.095 17.075 -2.132 1.00 0.00 H new ATOM 0 HE3 LYS 2 16 -12.392 18.275 -0.890 1.00 0.00 H new ATOM 0 HZ1 LYS 2 16 -14.453 17.380 -1.754 1.00 0.00 H new ATOM 0 HZ2 LYS 2 16 -14.335 19.032 -2.125 1.00 0.00 H new ATOM 0 HZ3 LYS 2 16 -14.048 17.870 -3.328 1.00 0.00 H new ATOM 1107 N ASP 2 17 -9.139 14.932 -0.875 1.00 0.00 N ATOM 1108 CA ASP 2 17 -9.819 13.768 -0.333 1.00 0.00 C ATOM 1109 C ASP 2 17 -8.786 12.693 0.010 1.00 0.00 C ATOM 1110 O ASP 2 17 -9.144 11.555 0.307 1.00 0.00 O ATOM 1111 CB ASP 2 17 -10.798 13.177 -1.349 1.00 0.00 C ATOM 1112 CG ASP 2 17 -11.677 12.044 -0.816 1.00 0.00 C ATOM 1113 OD1 ASP 2 17 -11.664 11.848 0.418 1.00 0.00 O ATOM 1114 OD2 ASP 2 17 -12.344 11.400 -1.655 1.00 0.00 O ATOM 0 H ASP 2 17 -8.242 14.734 -1.318 1.00 0.00 H new ATOM 0 HA ASP 2 17 -10.368 14.082 0.554 1.00 0.00 H new ATOM 0 HB2 ASP 2 17 -11.443 13.975 -1.716 1.00 0.00 H new ATOM 0 HB3 ASP 2 17 -10.232 12.806 -2.203 1.00 0.00 H new ATOM 1119 N ARG 2 18 -7.524 13.092 -0.042 1.00 0.00 N ATOM 1120 CA ARG 2 18 -6.436 12.178 0.259 1.00 0.00 C ATOM 1121 C ARG 2 18 -6.047 12.282 1.735 1.00 0.00 C ATOM 1122 O ARG 2 18 -6.587 13.111 2.465 1.00 0.00 O ATOM 1123 CB ARG 2 18 -5.210 12.476 -0.606 1.00 0.00 C ATOM 1124 CG ARG 2 18 -5.613 12.727 -2.060 1.00 0.00 C ATOM 1125 CD ARG 2 18 -4.830 13.901 -2.652 1.00 0.00 C ATOM 1126 NE ARG 2 18 -5.209 14.100 -4.069 1.00 0.00 N ATOM 1127 CZ ARG 2 18 -4.361 14.507 -5.023 1.00 0.00 C ATOM 1128 NH1 ARG 2 18 -3.082 14.762 -4.719 1.00 0.00 N ATOM 1129 NH2 ARG 2 18 -4.794 14.661 -6.282 1.00 0.00 N ATOM 0 H ARG 2 18 -7.230 14.037 -0.288 1.00 0.00 H new ATOM 0 HA ARG 2 18 -6.783 11.168 0.042 1.00 0.00 H new ATOM 0 HB2 ARG 2 18 -4.687 13.348 -0.214 1.00 0.00 H new ATOM 0 HB3 ARG 2 18 -4.514 11.639 -0.557 1.00 0.00 H new ATOM 0 HG2 ARG 2 18 -5.432 11.829 -2.651 1.00 0.00 H new ATOM 0 HG3 ARG 2 18 -6.682 12.934 -2.114 1.00 0.00 H new ATOM 0 HD2 ARG 2 18 -5.032 14.808 -2.082 1.00 0.00 H new ATOM 0 HD3 ARG 2 18 -3.760 13.710 -2.577 1.00 0.00 H new ATOM 0 HE ARG 2 18 -6.176 13.916 -4.336 1.00 0.00 H new ATOM 0 HH11 ARG 2 18 -2.753 14.646 -3.761 1.00 0.00 H new ATOM 0 HH12 ARG 2 18 -2.437 15.072 -5.446 1.00 0.00 H new ATOM 0 HH21 ARG 2 18 -5.769 14.468 -6.513 1.00 0.00 H new ATOM 0 HH22 ARG 2 18 -4.149 14.971 -7.009 1.00 0.00 H new ATOM 1143 N VAL 2 19 -5.115 11.427 2.130 1.00 0.00 N ATOM 1144 CA VAL 2 19 -4.649 11.413 3.506 1.00 0.00 C ATOM 1145 C VAL 2 19 -3.226 11.972 3.563 1.00 0.00 C ATOM 1146 O VAL 2 19 -2.509 11.758 4.541 1.00 0.00 O ATOM 1147 CB VAL 2 19 -4.758 9.999 4.081 1.00 0.00 C ATOM 1148 CG1 VAL 2 19 -4.556 10.006 5.597 1.00 0.00 C ATOM 1149 CG2 VAL 2 19 -6.098 9.359 3.710 1.00 0.00 C ATOM 0 H VAL 2 19 -4.670 10.740 1.522 1.00 0.00 H new ATOM 0 HA VAL 2 19 -5.276 12.052 4.128 1.00 0.00 H new ATOM 0 HB VAL 2 19 -3.964 9.396 3.640 1.00 0.00 H new ATOM 0 HG11 VAL 2 19 -4.639 8.989 5.980 1.00 0.00 H new ATOM 0 HG12 VAL 2 19 -3.568 10.403 5.831 1.00 0.00 H new ATOM 0 HG13 VAL 2 19 -5.317 10.632 6.063 1.00 0.00 H new ATOM 0 HG21 VAL 2 19 -6.150 8.355 4.131 1.00 0.00 H new ATOM 0 HG22 VAL 2 19 -6.913 9.963 4.110 1.00 0.00 H new ATOM 0 HG23 VAL 2 19 -6.186 9.303 2.625 1.00 0.00 H new ATOM 1159 N ASP 2 20 -2.859 12.679 2.504 1.00 0.00 N ATOM 1160 CA ASP 2 20 -1.535 13.271 2.422 1.00 0.00 C ATOM 1161 C ASP 2 20 -0.523 12.342 3.096 1.00 0.00 C ATOM 1162 O ASP 2 20 -0.240 12.484 4.285 1.00 0.00 O ATOM 1163 CB ASP 2 20 -1.489 14.620 3.141 1.00 0.00 C ATOM 1164 CG ASP 2 20 -0.116 15.016 3.687 1.00 0.00 C ATOM 1165 OD1 ASP 2 20 0.815 15.124 2.860 1.00 0.00 O ATOM 1166 OD2 ASP 2 20 -0.028 15.201 4.920 1.00 0.00 O ATOM 0 H ASP 2 20 -3.456 12.855 1.696 1.00 0.00 H new ATOM 0 HA ASP 2 20 -1.295 13.415 1.369 1.00 0.00 H new ATOM 0 HB2 ASP 2 20 -1.826 15.394 2.451 1.00 0.00 H new ATOM 0 HB3 ASP 2 20 -2.199 14.598 3.967 1.00 0.00 H new ATOM 1171 N CYS 2 21 -0.004 11.412 2.307 1.00 0.00 N ATOM 1172 CA CYS 2 21 0.970 10.460 2.813 1.00 0.00 C ATOM 1173 C CYS 2 21 2.090 11.240 3.506 1.00 0.00 C ATOM 1174 O CYS 2 21 2.683 10.758 4.469 1.00 0.00 O ATOM 1175 CB CYS 2 21 1.508 9.556 1.701 1.00 0.00 C ATOM 1176 SG CYS 2 21 1.621 7.784 2.142 1.00 0.00 S ATOM 0 H CYS 2 21 -0.240 11.298 1.321 1.00 0.00 H new ATOM 0 HA CYS 2 21 0.492 9.795 3.533 1.00 0.00 H new ATOM 0 HB2 CYS 2 21 0.866 9.658 0.826 1.00 0.00 H new ATOM 0 HB3 CYS 2 21 2.498 9.908 1.413 1.00 0.00 H new ATOM 1181 N GLY 2 22 2.344 12.433 2.987 1.00 0.00 N ATOM 1182 CA GLY 2 22 3.381 13.284 3.544 1.00 0.00 C ATOM 1183 C GLY 2 22 4.597 12.460 3.972 1.00 0.00 C ATOM 1184 O GLY 2 22 4.989 12.483 5.137 1.00 0.00 O ATOM 0 H GLY 2 22 1.850 12.829 2.188 1.00 0.00 H new ATOM 0 HA2 GLY 2 22 3.682 14.027 2.805 1.00 0.00 H new ATOM 0 HA3 GLY 2 22 2.987 13.829 4.402 1.00 0.00 H new ATOM 1188 N TYR 2 23 5.161 11.750 3.004 1.00 0.00 N ATOM 1189 CA TYR 2 23 6.323 10.918 3.267 1.00 0.00 C ATOM 1190 C TYR 2 23 7.618 11.705 3.049 1.00 0.00 C ATOM 1191 O TYR 2 23 7.646 12.658 2.273 1.00 0.00 O ATOM 1192 CB TYR 2 23 6.259 9.773 2.255 1.00 0.00 C ATOM 1193 CG TYR 2 23 5.849 8.430 2.861 1.00 0.00 C ATOM 1194 CD1 TYR 2 23 4.523 8.177 3.146 1.00 0.00 C ATOM 1195 CD2 TYR 2 23 6.806 7.470 3.122 1.00 0.00 C ATOM 1196 CE1 TYR 2 23 4.138 6.913 3.717 1.00 0.00 C ATOM 1197 CE2 TYR 2 23 6.420 6.205 3.692 1.00 0.00 C ATOM 1198 CZ TYR 2 23 5.106 5.989 3.962 1.00 0.00 C ATOM 1199 OH TYR 2 23 4.741 4.795 4.501 1.00 0.00 O ATOM 0 H TYR 2 23 4.835 11.734 2.038 1.00 0.00 H new ATOM 0 HA TYR 2 23 6.318 10.564 4.298 1.00 0.00 H new ATOM 0 HB2 TYR 2 23 5.552 10.036 1.468 1.00 0.00 H new ATOM 0 HB3 TYR 2 23 7.235 9.664 1.783 1.00 0.00 H new ATOM 0 HD1 TYR 2 23 3.774 8.927 2.941 1.00 0.00 H new ATOM 0 HD2 TYR 2 23 7.844 7.668 2.899 1.00 0.00 H new ATOM 0 HE1 TYR 2 23 3.104 6.703 3.946 1.00 0.00 H new ATOM 0 HE2 TYR 2 23 7.159 5.445 3.900 1.00 0.00 H new ATOM 0 HH TYR 2 23 5.535 4.233 4.620 1.00 0.00 H new ATOM 1209 N PRO 2 24 8.685 11.262 3.766 1.00 0.00 N ATOM 1210 CA PRO 2 24 9.980 11.914 3.659 1.00 0.00 C ATOM 1211 C PRO 2 24 10.670 11.549 2.343 1.00 0.00 C ATOM 1212 O PRO 2 24 11.690 12.139 1.988 1.00 0.00 O ATOM 1213 CB PRO 2 24 10.754 11.453 4.883 1.00 0.00 C ATOM 1214 CG PRO 2 24 10.043 10.206 5.382 1.00 0.00 C ATOM 1215 CD PRO 2 24 8.688 10.136 4.695 1.00 0.00 C ATOM 0 HA PRO 2 24 9.904 13.001 3.638 1.00 0.00 H new ATOM 0 HB2 PRO 2 24 11.792 11.236 4.630 1.00 0.00 H new ATOM 0 HB3 PRO 2 24 10.769 12.227 5.650 1.00 0.00 H new ATOM 0 HG2 PRO 2 24 10.631 9.316 5.158 1.00 0.00 H new ATOM 0 HG3 PRO 2 24 9.921 10.243 6.464 1.00 0.00 H new ATOM 0 HD2 PRO 2 24 8.558 9.189 4.170 1.00 0.00 H new ATOM 0 HD3 PRO 2 24 7.874 10.215 5.416 1.00 0.00 H new ATOM 1223 N HIS 2 25 10.085 10.579 1.654 1.00 0.00 N ATOM 1224 CA HIS 2 25 10.631 10.129 0.385 1.00 0.00 C ATOM 1225 C HIS 2 25 9.617 10.389 -0.730 1.00 0.00 C ATOM 1226 O HIS 2 25 9.821 9.970 -1.869 1.00 0.00 O ATOM 1227 CB HIS 2 25 11.060 8.663 0.468 1.00 0.00 C ATOM 1228 CG HIS 2 25 12.540 8.443 0.258 1.00 0.00 C ATOM 1229 ND1 HIS 2 25 13.080 7.199 -0.015 1.00 0.00 N ATOM 1230 CD2 HIS 2 25 13.583 9.320 0.284 1.00 0.00 C ATOM 1231 CE1 HIS 2 25 14.392 7.333 -0.144 1.00 0.00 C ATOM 1232 NE2 HIS 2 25 14.702 8.648 0.041 1.00 0.00 N ATOM 0 H HIS 2 25 9.239 10.093 1.951 1.00 0.00 H new ATOM 0 HA HIS 2 25 11.531 10.697 0.149 1.00 0.00 H new ATOM 0 HB2 HIS 2 25 10.779 8.268 1.444 1.00 0.00 H new ATOM 0 HB3 HIS 2 25 10.509 8.091 -0.278 1.00 0.00 H new ATOM 0 HD2 HIS 2 25 13.511 10.381 0.471 1.00 0.00 H new ATOM 0 HE1 HIS 2 25 15.093 6.540 -0.358 1.00 0.00 H new ATOM 0 HE2 HIS 2 25 15.639 9.049 -0.000 1.00 0.00 H new ATOM 1241 N VAL 2 26 8.546 11.078 -0.365 1.00 0.00 N ATOM 1242 CA VAL 2 26 7.500 11.399 -1.319 1.00 0.00 C ATOM 1243 C VAL 2 26 8.135 11.736 -2.670 1.00 0.00 C ATOM 1244 O VAL 2 26 8.829 12.744 -2.799 1.00 0.00 O ATOM 1245 CB VAL 2 26 6.619 12.524 -0.774 1.00 0.00 C ATOM 1246 CG1 VAL 2 26 7.472 13.655 -0.194 1.00 0.00 C ATOM 1247 CG2 VAL 2 26 5.671 13.051 -1.853 1.00 0.00 C ATOM 0 H VAL 2 26 8.381 11.423 0.580 1.00 0.00 H new ATOM 0 HA VAL 2 26 6.846 10.540 -1.472 1.00 0.00 H new ATOM 0 HB VAL 2 26 6.012 12.113 0.033 1.00 0.00 H new ATOM 0 HG11 VAL 2 26 6.822 14.443 0.187 1.00 0.00 H new ATOM 0 HG12 VAL 2 26 8.087 13.267 0.618 1.00 0.00 H new ATOM 0 HG13 VAL 2 26 8.116 14.062 -0.974 1.00 0.00 H new ATOM 0 HG21 VAL 2 26 5.056 13.850 -1.439 1.00 0.00 H new ATOM 0 HG22 VAL 2 26 6.252 13.437 -2.691 1.00 0.00 H new ATOM 0 HG23 VAL 2 26 5.029 12.242 -2.200 1.00 0.00 H new ATOM 1257 N THR 2 27 7.874 10.876 -3.643 1.00 0.00 N ATOM 1258 CA THR 2 27 8.411 11.071 -4.979 1.00 0.00 C ATOM 1259 C THR 2 27 7.659 10.202 -5.989 1.00 0.00 C ATOM 1260 O THR 2 27 6.956 9.267 -5.606 1.00 0.00 O ATOM 1261 CB THR 2 27 9.913 10.784 -4.931 1.00 0.00 C ATOM 1262 OG1 THR 2 27 10.502 11.916 -5.565 1.00 0.00 O ATOM 1263 CG2 THR 2 27 10.313 9.607 -5.823 1.00 0.00 C ATOM 0 H THR 2 27 7.297 10.042 -3.533 1.00 0.00 H new ATOM 0 HA THR 2 27 8.272 12.099 -5.315 1.00 0.00 H new ATOM 0 HB THR 2 27 10.211 10.578 -3.903 1.00 0.00 H new ATOM 0 HG1 THR 2 27 11.477 11.814 -5.576 1.00 0.00 H new ATOM 0 HG21 THR 2 27 11.389 9.446 -5.752 1.00 0.00 H new ATOM 0 HG22 THR 2 27 9.789 8.709 -5.497 1.00 0.00 H new ATOM 0 HG23 THR 2 27 10.046 9.827 -6.857 1.00 0.00 H new ATOM 1271 N PRO 2 28 7.835 10.550 -7.291 1.00 0.00 N ATOM 1272 CA PRO 2 28 7.182 9.812 -8.358 1.00 0.00 C ATOM 1273 C PRO 2 28 7.864 8.462 -8.590 1.00 0.00 C ATOM 1274 O PRO 2 28 8.153 8.096 -9.728 1.00 0.00 O ATOM 1275 CB PRO 2 28 7.250 10.728 -9.570 1.00 0.00 C ATOM 1276 CG PRO 2 28 8.342 11.741 -9.264 1.00 0.00 C ATOM 1277 CD PRO 2 28 8.660 11.650 -7.781 1.00 0.00 C ATOM 0 HA PRO 2 28 6.148 9.561 -8.123 1.00 0.00 H new ATOM 0 HB2 PRO 2 28 7.482 10.164 -10.474 1.00 0.00 H new ATOM 0 HB3 PRO 2 28 6.294 11.223 -9.740 1.00 0.00 H new ATOM 0 HG2 PRO 2 28 9.232 11.534 -9.859 1.00 0.00 H new ATOM 0 HG3 PRO 2 28 8.013 12.747 -9.523 1.00 0.00 H new ATOM 0 HD2 PRO 2 28 9.719 11.455 -7.615 1.00 0.00 H new ATOM 0 HD3 PRO 2 28 8.423 12.582 -7.267 1.00 0.00 H new ATOM 1285 N LYS 2 29 8.101 7.759 -7.492 1.00 0.00 N ATOM 1286 CA LYS 2 29 8.745 6.458 -7.562 1.00 0.00 C ATOM 1287 C LYS 2 29 8.882 5.886 -6.150 1.00 0.00 C ATOM 1288 O LYS 2 29 9.028 4.676 -5.977 1.00 0.00 O ATOM 1289 CB LYS 2 29 10.071 6.555 -8.317 1.00 0.00 C ATOM 1290 CG LYS 2 29 10.294 5.323 -9.196 1.00 0.00 C ATOM 1291 CD LYS 2 29 10.394 5.714 -10.672 1.00 0.00 C ATOM 1292 CE LYS 2 29 9.065 5.476 -11.393 1.00 0.00 C ATOM 1293 NZ LYS 2 29 9.288 5.287 -12.844 1.00 0.00 N ATOM 0 H LYS 2 29 7.859 8.065 -6.550 1.00 0.00 H new ATOM 0 HA LYS 2 29 8.132 5.760 -8.132 1.00 0.00 H new ATOM 0 HB2 LYS 2 29 10.077 7.453 -8.935 1.00 0.00 H new ATOM 0 HB3 LYS 2 29 10.892 6.652 -7.606 1.00 0.00 H new ATOM 0 HG2 LYS 2 29 11.207 4.813 -8.889 1.00 0.00 H new ATOM 0 HG3 LYS 2 29 9.473 4.619 -9.057 1.00 0.00 H new ATOM 0 HD2 LYS 2 29 10.674 6.764 -10.756 1.00 0.00 H new ATOM 0 HD3 LYS 2 29 11.182 5.134 -11.153 1.00 0.00 H new ATOM 0 HE2 LYS 2 29 8.572 4.597 -10.978 1.00 0.00 H new ATOM 0 HE3 LYS 2 29 8.399 6.323 -11.229 1.00 0.00 H new ATOM 0 HZ1 LYS 2 29 8.376 5.127 -13.317 1.00 0.00 H new ATOM 0 HZ2 LYS 2 29 9.739 6.137 -13.240 1.00 0.00 H new ATOM 0 HZ3 LYS 2 29 9.906 4.465 -12.996 1.00 0.00 H new ATOM 1307 N GLU 2 30 8.828 6.781 -5.175 1.00 0.00 N ATOM 1308 CA GLU 2 30 8.944 6.381 -3.783 1.00 0.00 C ATOM 1309 C GLU 2 30 7.557 6.177 -3.172 1.00 0.00 C ATOM 1310 O GLU 2 30 7.329 5.208 -2.449 1.00 0.00 O ATOM 1311 CB GLU 2 30 9.750 7.405 -2.983 1.00 0.00 C ATOM 1312 CG GLU 2 30 11.174 6.906 -2.731 1.00 0.00 C ATOM 1313 CD GLU 2 30 12.165 7.566 -3.693 1.00 0.00 C ATOM 1314 OE1 GLU 2 30 12.309 7.030 -4.814 1.00 0.00 O ATOM 1315 OE2 GLU 2 30 12.756 8.589 -3.287 1.00 0.00 O ATOM 0 H GLU 2 30 8.705 7.783 -5.322 1.00 0.00 H new ATOM 0 HA GLU 2 30 9.481 5.433 -3.742 1.00 0.00 H new ATOM 0 HB2 GLU 2 30 9.783 8.351 -3.524 1.00 0.00 H new ATOM 0 HB3 GLU 2 30 9.255 7.599 -2.031 1.00 0.00 H new ATOM 0 HG2 GLU 2 30 11.462 7.122 -1.702 1.00 0.00 H new ATOM 0 HG3 GLU 2 30 11.210 5.823 -2.852 1.00 0.00 H new ATOM 1322 N CYS 2 31 6.665 7.106 -3.484 1.00 0.00 N ATOM 1323 CA CYS 2 31 5.306 7.041 -2.975 1.00 0.00 C ATOM 1324 C CYS 2 31 4.722 5.673 -3.337 1.00 0.00 C ATOM 1325 O CYS 2 31 4.279 4.932 -2.462 1.00 0.00 O ATOM 1326 CB CYS 2 31 4.446 8.188 -3.509 1.00 0.00 C ATOM 1327 SG CYS 2 31 4.917 9.849 -2.902 1.00 0.00 S ATOM 0 H CYS 2 31 6.858 7.908 -4.084 1.00 0.00 H new ATOM 0 HA CYS 2 31 5.315 7.156 -1.891 1.00 0.00 H new ATOM 0 HB2 CYS 2 31 4.499 8.186 -4.598 1.00 0.00 H new ATOM 0 HB3 CYS 2 31 3.407 8.000 -3.240 1.00 0.00 H new ATOM 1332 N ASN 2 32 4.741 5.381 -4.630 1.00 0.00 N ATOM 1333 CA ASN 2 32 4.219 4.116 -5.118 1.00 0.00 C ATOM 1334 C ASN 2 32 5.049 2.969 -4.537 1.00 0.00 C ATOM 1335 O ASN 2 32 4.659 1.806 -4.633 1.00 0.00 O ATOM 1336 CB ASN 2 32 4.305 4.037 -6.643 1.00 0.00 C ATOM 1337 CG ASN 2 32 2.973 4.425 -7.288 1.00 0.00 C ATOM 1338 OD1 ASN 2 32 2.544 3.855 -8.278 1.00 0.00 O ATOM 1339 ND2 ASN 2 32 2.345 5.423 -6.674 1.00 0.00 N ATOM 0 H ASN 2 32 5.109 5.998 -5.354 1.00 0.00 H new ATOM 0 HA ASN 2 32 3.176 4.040 -4.811 1.00 0.00 H new ATOM 0 HB2 ASN 2 32 5.093 4.699 -7.001 1.00 0.00 H new ATOM 0 HB3 ASN 2 32 4.578 3.025 -6.944 1.00 0.00 H new ATOM 0 HD21 ASN 2 32 1.448 5.755 -7.028 1.00 0.00 H new ATOM 0 HD22 ASN 2 32 2.760 5.856 -5.849 1.00 0.00 H new ATOM 1346 N ASN 2 33 6.177 3.336 -3.948 1.00 0.00 N ATOM 1347 CA ASN 2 33 7.065 2.353 -3.352 1.00 0.00 C ATOM 1348 C ASN 2 33 6.577 2.021 -1.940 1.00 0.00 C ATOM 1349 O ASN 2 33 6.628 0.867 -1.517 1.00 0.00 O ATOM 1350 CB ASN 2 33 8.492 2.892 -3.245 1.00 0.00 C ATOM 1351 CG ASN 2 33 9.517 1.777 -3.461 1.00 0.00 C ATOM 1352 OD1 ASN 2 33 9.191 0.661 -3.829 1.00 0.00 O ATOM 1353 ND2 ASN 2 33 10.772 2.141 -3.210 1.00 0.00 N ATOM 0 H ASN 2 33 6.497 4.302 -3.871 1.00 0.00 H new ATOM 0 HA ASN 2 33 7.062 1.467 -3.987 1.00 0.00 H new ATOM 0 HB2 ASN 2 33 8.644 3.679 -3.984 1.00 0.00 H new ATOM 0 HB3 ASN 2 33 8.641 3.343 -2.264 1.00 0.00 H new ATOM 0 HD21 ASN 2 33 11.530 1.468 -3.323 1.00 0.00 H new ATOM 0 HD22 ASN 2 33 10.976 3.093 -2.905 1.00 0.00 H new ATOM 1360 N ARG 2 34 6.115 3.054 -1.250 1.00 0.00 N ATOM 1361 CA ARG 2 34 5.619 2.886 0.105 1.00 0.00 C ATOM 1362 C ARG 2 34 4.170 2.393 0.083 1.00 0.00 C ATOM 1363 O ARG 2 34 3.725 1.724 1.013 1.00 0.00 O ATOM 1364 CB ARG 2 34 5.690 4.201 0.885 1.00 0.00 C ATOM 1365 CG ARG 2 34 6.946 4.992 0.510 1.00 0.00 C ATOM 1366 CD ARG 2 34 7.999 4.906 1.617 1.00 0.00 C ATOM 1367 NE ARG 2 34 9.276 4.403 1.064 1.00 0.00 N ATOM 1368 CZ ARG 2 34 10.383 4.208 1.790 1.00 0.00 C ATOM 1369 NH1 ARG 2 34 10.380 4.473 3.105 1.00 0.00 N ATOM 1370 NH2 ARG 2 34 11.497 3.748 1.204 1.00 0.00 N ATOM 0 H ARG 2 34 6.074 4.010 -1.604 1.00 0.00 H new ATOM 0 HA ARG 2 34 6.251 2.148 0.600 1.00 0.00 H new ATOM 0 HB2 ARG 2 34 4.803 4.800 0.678 1.00 0.00 H new ATOM 0 HB3 ARG 2 34 5.692 3.994 1.955 1.00 0.00 H new ATOM 0 HG2 ARG 2 34 7.360 4.605 -0.421 1.00 0.00 H new ATOM 0 HG3 ARG 2 34 6.684 6.035 0.333 1.00 0.00 H new ATOM 0 HD2 ARG 2 34 8.149 5.889 2.064 1.00 0.00 H new ATOM 0 HD3 ARG 2 34 7.651 4.244 2.410 1.00 0.00 H new ATOM 0 HE ARG 2 34 9.315 4.192 0.067 1.00 0.00 H new ATOM 0 HH11 ARG 2 34 9.533 4.824 3.553 1.00 0.00 H new ATOM 0 HH12 ARG 2 34 11.225 4.324 3.657 1.00 0.00 H new ATOM 0 HH21 ARG 2 34 11.501 3.546 0.204 1.00 0.00 H new ATOM 0 HH22 ARG 2 34 12.341 3.600 1.758 1.00 0.00 H new ATOM 1384 N GLY 2 35 3.476 2.743 -0.990 1.00 0.00 N ATOM 1385 CA GLY 2 35 2.088 2.344 -1.146 1.00 0.00 C ATOM 1386 C GLY 2 35 1.172 3.568 -1.234 1.00 0.00 C ATOM 1387 O GLY 2 35 -0.006 3.492 -0.891 1.00 0.00 O ATOM 0 H GLY 2 35 3.849 3.299 -1.760 1.00 0.00 H new ATOM 0 HA2 GLY 2 35 1.979 1.738 -2.046 1.00 0.00 H new ATOM 0 HA3 GLY 2 35 1.788 1.721 -0.304 1.00 0.00 H new ATOM 1391 N CYS 2 36 1.750 4.667 -1.695 1.00 0.00 N ATOM 1392 CA CYS 2 36 1.001 5.904 -1.833 1.00 0.00 C ATOM 1393 C CYS 2 36 0.820 6.193 -3.325 1.00 0.00 C ATOM 1394 O CYS 2 36 1.336 5.462 -4.169 1.00 0.00 O ATOM 1395 CB CYS 2 36 1.687 7.064 -1.107 1.00 0.00 C ATOM 1396 SG CYS 2 36 2.122 6.727 0.638 1.00 0.00 S ATOM 0 H CYS 2 36 2.728 4.727 -1.978 1.00 0.00 H new ATOM 0 HA CYS 2 36 0.023 5.794 -1.364 1.00 0.00 H new ATOM 0 HB2 CYS 2 36 2.595 7.327 -1.649 1.00 0.00 H new ATOM 0 HB3 CYS 2 36 1.032 7.934 -1.142 1.00 0.00 H new ATOM 1401 N CYS 2 37 0.085 7.259 -3.603 1.00 0.00 N ATOM 1402 CA CYS 2 37 -0.171 7.653 -4.978 1.00 0.00 C ATOM 1403 C CYS 2 37 0.367 9.071 -5.180 1.00 0.00 C ATOM 1404 O CYS 2 37 0.021 9.983 -4.429 1.00 0.00 O ATOM 1405 CB CYS 2 37 -1.656 7.551 -5.329 1.00 0.00 C ATOM 1406 SG CYS 2 37 -2.010 7.293 -7.106 1.00 0.00 S ATOM 0 H CYS 2 37 -0.342 7.862 -2.900 1.00 0.00 H new ATOM 0 HA CYS 2 37 0.342 6.971 -5.655 1.00 0.00 H new ATOM 0 HB2 CYS 2 37 -2.093 6.728 -4.763 1.00 0.00 H new ATOM 0 HB3 CYS 2 37 -2.155 8.463 -5.002 1.00 0.00 H new ATOM 1411 N PHE 2 38 1.203 9.213 -6.197 1.00 0.00 N ATOM 1412 CA PHE 2 38 1.792 10.506 -6.507 1.00 0.00 C ATOM 1413 C PHE 2 38 0.968 11.244 -7.565 1.00 0.00 C ATOM 1414 O PHE 2 38 0.853 10.784 -8.698 1.00 0.00 O ATOM 1415 CB PHE 2 38 3.192 10.238 -7.063 1.00 0.00 C ATOM 1416 CG PHE 2 38 3.958 11.502 -7.456 1.00 0.00 C ATOM 1417 CD1 PHE 2 38 4.570 12.251 -6.499 1.00 0.00 C ATOM 1418 CD2 PHE 2 38 4.026 11.878 -8.761 1.00 0.00 C ATOM 1419 CE1 PHE 2 38 5.282 13.425 -6.864 1.00 0.00 C ATOM 1420 CE2 PHE 2 38 4.738 13.052 -9.125 1.00 0.00 C ATOM 1421 CZ PHE 2 38 5.351 13.800 -8.168 1.00 0.00 C ATOM 0 H PHE 2 38 1.487 8.455 -6.817 1.00 0.00 H new ATOM 0 HA PHE 2 38 1.822 11.126 -5.611 1.00 0.00 H new ATOM 0 HB2 PHE 2 38 3.770 9.693 -6.317 1.00 0.00 H new ATOM 0 HB3 PHE 2 38 3.107 9.591 -7.936 1.00 0.00 H new ATOM 0 HD1 PHE 2 38 4.515 11.953 -5.462 1.00 0.00 H new ATOM 0 HD2 PHE 2 38 3.539 11.284 -9.520 1.00 0.00 H new ATOM 0 HE1 PHE 2 38 5.768 14.019 -6.105 1.00 0.00 H new ATOM 0 HE2 PHE 2 38 4.793 13.351 -10.161 1.00 0.00 H new ATOM 0 HZ PHE 2 38 5.893 14.692 -8.445 1.00 0.00 H new ATOM 1431 N ASP 2 39 0.417 12.377 -7.154 1.00 0.00 N ATOM 1432 CA ASP 2 39 -0.392 13.183 -8.052 1.00 0.00 C ATOM 1433 C ASP 2 39 0.520 14.100 -8.869 1.00 0.00 C ATOM 1434 O ASP 2 39 0.865 13.785 -10.006 1.00 0.00 O ATOM 1435 CB ASP 2 39 -1.370 14.063 -7.271 1.00 0.00 C ATOM 1436 CG ASP 2 39 -2.145 15.076 -8.116 1.00 0.00 C ATOM 1437 OD1 ASP 2 39 -2.991 14.619 -8.915 1.00 0.00 O ATOM 1438 OD2 ASP 2 39 -1.873 16.284 -7.945 1.00 0.00 O ATOM 0 H ASP 2 39 0.515 12.755 -6.212 1.00 0.00 H new ATOM 0 HA ASP 2 39 -0.952 12.508 -8.699 1.00 0.00 H new ATOM 0 HB2 ASP 2 39 -2.084 13.419 -6.757 1.00 0.00 H new ATOM 0 HB3 ASP 2 39 -0.816 14.602 -6.502 1.00 0.00 H new ATOM 1443 N SER 2 40 0.885 15.217 -8.256 1.00 0.00 N ATOM 1444 CA SER 2 40 1.751 16.182 -8.913 1.00 0.00 C ATOM 1445 C SER 2 40 0.909 17.199 -9.686 1.00 0.00 C ATOM 1446 O SER 2 40 1.393 18.276 -10.032 1.00 0.00 O ATOM 1447 CB SER 2 40 2.739 15.487 -9.851 1.00 0.00 C ATOM 1448 OG SER 2 40 3.992 16.163 -9.903 1.00 0.00 O ATOM 0 H SER 2 40 0.597 15.475 -7.312 1.00 0.00 H new ATOM 0 HA SER 2 40 2.326 16.703 -8.147 1.00 0.00 H new ATOM 0 HB2 SER 2 40 2.894 14.461 -9.518 1.00 0.00 H new ATOM 0 HB3 SER 2 40 2.313 15.436 -10.853 1.00 0.00 H new ATOM 0 HG SER 2 40 4.672 15.627 -9.445 1.00 0.00 H new ATOM 1454 N ARG 2 41 -0.337 16.821 -9.935 1.00 0.00 N ATOM 1455 CA ARG 2 41 -1.250 17.686 -10.662 1.00 0.00 C ATOM 1456 C ARG 2 41 -1.438 19.007 -9.913 1.00 0.00 C ATOM 1457 O ARG 2 41 -1.483 20.072 -10.528 1.00 0.00 O ATOM 1458 CB ARG 2 41 -2.612 17.016 -10.848 1.00 0.00 C ATOM 1459 CG ARG 2 41 -2.496 15.778 -11.741 1.00 0.00 C ATOM 1460 CD ARG 2 41 -3.663 15.701 -12.728 1.00 0.00 C ATOM 1461 NE ARG 2 41 -3.194 16.033 -14.092 1.00 0.00 N ATOM 1462 CZ ARG 2 41 -3.900 15.795 -15.206 1.00 0.00 C ATOM 1463 NH1 ARG 2 41 -5.110 15.226 -15.125 1.00 0.00 N ATOM 1464 NH2 ARG 2 41 -3.396 16.129 -16.402 1.00 0.00 N ATOM 0 H ARG 2 41 -0.735 15.927 -9.646 1.00 0.00 H new ATOM 0 HA ARG 2 41 -0.815 17.878 -11.643 1.00 0.00 H new ATOM 0 HB2 ARG 2 41 -3.017 16.732 -9.877 1.00 0.00 H new ATOM 0 HB3 ARG 2 41 -3.312 17.724 -11.291 1.00 0.00 H new ATOM 0 HG2 ARG 2 41 -1.554 15.807 -12.288 1.00 0.00 H new ATOM 0 HG3 ARG 2 41 -2.478 14.880 -11.123 1.00 0.00 H new ATOM 0 HD2 ARG 2 41 -4.095 14.700 -12.716 1.00 0.00 H new ATOM 0 HD3 ARG 2 41 -4.451 16.392 -12.427 1.00 0.00 H new ATOM 0 HE ARG 2 41 -2.277 16.470 -14.190 1.00 0.00 H new ATOM 0 HH11 ARG 2 41 -5.495 14.973 -14.215 1.00 0.00 H new ATOM 0 HH12 ARG 2 41 -5.646 15.045 -15.974 1.00 0.00 H new ATOM 0 HH21 ARG 2 41 -2.476 16.564 -16.464 1.00 0.00 H new ATOM 0 HH22 ARG 2 41 -3.933 15.948 -17.250 1.00 0.00 H new ATOM 1478 N ILE 2 42 -1.542 18.896 -8.597 1.00 0.00 N ATOM 1479 CA ILE 2 42 -1.724 20.068 -7.759 1.00 0.00 C ATOM 1480 C ILE 2 42 -0.562 20.167 -6.768 1.00 0.00 C ATOM 1481 O ILE 2 42 -0.354 19.264 -5.959 1.00 0.00 O ATOM 1482 CB ILE 2 42 -3.101 20.041 -7.092 1.00 0.00 C ATOM 1483 CG1 ILE 2 42 -4.169 19.529 -8.060 1.00 0.00 C ATOM 1484 CG2 ILE 2 42 -3.458 21.414 -6.518 1.00 0.00 C ATOM 1485 CD1 ILE 2 42 -5.556 20.040 -7.666 1.00 0.00 C ATOM 0 H ILE 2 42 -1.504 18.012 -8.090 1.00 0.00 H new ATOM 0 HA ILE 2 42 -1.706 20.975 -8.363 1.00 0.00 H new ATOM 0 HB ILE 2 42 -3.063 19.342 -6.256 1.00 0.00 H new ATOM 0 HG12 ILE 2 42 -3.932 19.854 -9.073 1.00 0.00 H new ATOM 0 HG13 ILE 2 42 -4.167 18.439 -8.066 1.00 0.00 H new ATOM 0 HG21 ILE 2 42 -4.441 21.368 -6.050 1.00 0.00 H new ATOM 0 HG22 ILE 2 42 -2.715 21.702 -5.774 1.00 0.00 H new ATOM 0 HG23 ILE 2 42 -3.473 22.151 -7.321 1.00 0.00 H new ATOM 0 HD11 ILE 2 42 -6.297 19.661 -8.370 1.00 0.00 H new ATOM 0 HD12 ILE 2 42 -5.800 19.693 -6.662 1.00 0.00 H new ATOM 0 HD13 ILE 2 42 -5.561 21.130 -7.685 1.00 0.00 H new ATOM 1497 N PRO 2 43 0.183 21.299 -6.866 1.00 0.00 N ATOM 1498 CA PRO 2 43 1.318 21.528 -5.988 1.00 0.00 C ATOM 1499 C PRO 2 43 0.854 21.913 -4.581 1.00 0.00 C ATOM 1500 O PRO 2 43 1.627 21.837 -3.627 1.00 0.00 O ATOM 1501 CB PRO 2 43 2.127 22.620 -6.667 1.00 0.00 C ATOM 1502 CG PRO 2 43 1.183 23.288 -7.653 1.00 0.00 C ATOM 1503 CD PRO 2 43 -0.034 22.390 -7.812 1.00 0.00 C ATOM 0 HA PRO 2 43 1.925 20.634 -5.843 1.00 0.00 H new ATOM 0 HB2 PRO 2 43 2.502 23.338 -5.938 1.00 0.00 H new ATOM 0 HB3 PRO 2 43 2.994 22.202 -7.179 1.00 0.00 H new ATOM 0 HG2 PRO 2 43 0.887 24.273 -7.291 1.00 0.00 H new ATOM 0 HG3 PRO 2 43 1.676 23.437 -8.614 1.00 0.00 H new ATOM 0 HD2 PRO 2 43 -0.955 22.929 -7.590 1.00 0.00 H new ATOM 0 HD3 PRO 2 43 -0.120 22.018 -8.833 1.00 0.00 H new ATOM 1511 N GLY 2 44 -0.404 22.318 -4.498 1.00 0.00 N ATOM 1512 CA GLY 2 44 -0.980 22.715 -3.224 1.00 0.00 C ATOM 1513 C GLY 2 44 -1.636 21.523 -2.523 1.00 0.00 C ATOM 1514 O GLY 2 44 -2.054 21.630 -1.372 1.00 0.00 O ATOM 0 H GLY 2 44 -1.041 22.380 -5.292 1.00 0.00 H new ATOM 0 HA2 GLY 2 44 -0.203 23.135 -2.585 1.00 0.00 H new ATOM 0 HA3 GLY 2 44 -1.720 23.499 -3.384 1.00 0.00 H new ATOM 1518 N VAL 2 45 -1.704 20.416 -3.248 1.00 0.00 N ATOM 1519 CA VAL 2 45 -2.302 19.206 -2.710 1.00 0.00 C ATOM 1520 C VAL 2 45 -1.202 18.178 -2.435 1.00 0.00 C ATOM 1521 O VAL 2 45 -0.054 18.370 -2.834 1.00 0.00 O ATOM 1522 CB VAL 2 45 -3.381 18.687 -3.664 1.00 0.00 C ATOM 1523 CG1 VAL 2 45 -2.921 17.408 -4.367 1.00 0.00 C ATOM 1524 CG2 VAL 2 45 -4.702 18.463 -2.926 1.00 0.00 C ATOM 0 H VAL 2 45 -1.355 20.332 -4.203 1.00 0.00 H new ATOM 0 HA VAL 2 45 -2.798 19.413 -1.762 1.00 0.00 H new ATOM 0 HB VAL 2 45 -3.549 19.447 -4.427 1.00 0.00 H new ATOM 0 HG11 VAL 2 45 -3.705 17.060 -5.039 1.00 0.00 H new ATOM 0 HG12 VAL 2 45 -2.017 17.613 -4.940 1.00 0.00 H new ATOM 0 HG13 VAL 2 45 -2.713 16.639 -3.623 1.00 0.00 H new ATOM 0 HG21 VAL 2 45 -5.452 18.094 -3.626 1.00 0.00 H new ATOM 0 HG22 VAL 2 45 -4.556 17.731 -2.132 1.00 0.00 H new ATOM 0 HG23 VAL 2 45 -5.041 19.404 -2.493 1.00 0.00 H new ATOM 1534 N PRO 2 46 -1.602 17.081 -1.737 1.00 0.00 N ATOM 1535 CA PRO 2 46 -0.664 16.023 -1.404 1.00 0.00 C ATOM 1536 C PRO 2 46 -0.344 15.168 -2.631 1.00 0.00 C ATOM 1537 O PRO 2 46 -1.202 14.436 -3.123 1.00 0.00 O ATOM 1538 CB PRO 2 46 -1.337 15.236 -0.290 1.00 0.00 C ATOM 1539 CG PRO 2 46 -2.813 15.595 -0.360 1.00 0.00 C ATOM 1540 CD PRO 2 46 -2.953 16.822 -1.248 1.00 0.00 C ATOM 0 HA PRO 2 46 0.302 16.406 -1.075 1.00 0.00 H new ATOM 0 HB2 PRO 2 46 -1.189 14.164 -0.424 1.00 0.00 H new ATOM 0 HB3 PRO 2 46 -0.917 15.497 0.681 1.00 0.00 H new ATOM 0 HG2 PRO 2 46 -3.389 14.763 -0.765 1.00 0.00 H new ATOM 0 HG3 PRO 2 46 -3.204 15.799 0.637 1.00 0.00 H new ATOM 0 HD2 PRO 2 46 -3.644 16.639 -2.071 1.00 0.00 H new ATOM 0 HD3 PRO 2 46 -3.342 17.673 -0.689 1.00 0.00 H new ATOM 1548 N TRP 2 47 0.893 15.288 -3.091 1.00 0.00 N ATOM 1549 CA TRP 2 47 1.337 14.535 -4.251 1.00 0.00 C ATOM 1550 C TRP 2 47 1.814 13.163 -3.770 1.00 0.00 C ATOM 1551 O TRP 2 47 2.725 12.579 -4.354 1.00 0.00 O ATOM 1552 CB TRP 2 47 2.410 15.303 -5.026 1.00 0.00 C ATOM 1553 CG TRP 2 47 2.689 16.704 -4.478 1.00 0.00 C ATOM 1554 CD1 TRP 2 47 2.098 17.856 -4.820 1.00 0.00 C ATOM 1555 CD2 TRP 2 47 3.662 17.056 -3.471 1.00 0.00 C ATOM 1556 NE1 TRP 2 47 2.615 18.921 -4.111 1.00 0.00 N ATOM 1557 CE2 TRP 2 47 3.597 18.418 -3.264 1.00 0.00 C ATOM 1558 CE3 TRP 2 47 4.568 16.249 -2.760 1.00 0.00 C ATOM 1559 CZ2 TRP 2 47 4.411 19.094 -2.347 1.00 0.00 C ATOM 1560 CZ3 TRP 2 47 5.373 16.940 -1.847 1.00 0.00 C ATOM 1561 CH2 TRP 2 47 5.319 18.311 -1.627 1.00 0.00 C ATOM 0 H TRP 2 47 1.602 15.896 -2.681 1.00 0.00 H new ATOM 0 HA TRP 2 47 0.517 14.392 -4.954 1.00 0.00 H new ATOM 0 HB2 TRP 2 47 3.336 14.728 -5.012 1.00 0.00 H new ATOM 0 HB3 TRP 2 47 2.102 15.386 -6.068 1.00 0.00 H new ATOM 0 HD1 TRP 2 47 1.315 17.941 -5.559 1.00 0.00 H new ATOM 0 HE1 TRP 2 47 2.330 19.897 -4.193 1.00 0.00 H new ATOM 0 HE3 TRP 2 47 4.637 15.181 -2.907 1.00 0.00 H new ATOM 0 HZ2 TRP 2 47 4.341 20.162 -2.203 1.00 0.00 H new ATOM 0 HZ3 TRP 2 47 6.086 16.367 -1.273 1.00 0.00 H new ATOM 0 HH2 TRP 2 47 5.976 18.770 -0.903 1.00 0.00 H new ATOM 1572 N CYS 2 48 1.174 12.688 -2.712 1.00 0.00 N ATOM 1573 CA CYS 2 48 1.521 11.395 -2.146 1.00 0.00 C ATOM 1574 C CYS 2 48 0.473 11.035 -1.092 1.00 0.00 C ATOM 1575 O CYS 2 48 0.437 11.633 -0.017 1.00 0.00 O ATOM 1576 CB CYS 2 48 2.937 11.393 -1.567 1.00 0.00 C ATOM 1577 SG CYS 2 48 3.630 9.731 -1.239 1.00 0.00 S ATOM 0 H CYS 2 48 0.417 13.175 -2.232 1.00 0.00 H new ATOM 0 HA CYS 2 48 1.519 10.639 -2.931 1.00 0.00 H new ATOM 0 HB2 CYS 2 48 3.598 11.917 -2.258 1.00 0.00 H new ATOM 0 HB3 CYS 2 48 2.935 11.960 -0.636 1.00 0.00 H new ATOM 1582 N PHE 2 49 -0.355 10.059 -1.436 1.00 0.00 N ATOM 1583 CA PHE 2 49 -1.401 9.612 -0.532 1.00 0.00 C ATOM 1584 C PHE 2 49 -1.724 8.134 -0.754 1.00 0.00 C ATOM 1585 O PHE 2 49 -1.020 7.445 -1.493 1.00 0.00 O ATOM 1586 CB PHE 2 49 -2.646 10.446 -0.841 1.00 0.00 C ATOM 1587 CG PHE 2 49 -2.777 10.846 -2.313 1.00 0.00 C ATOM 1588 CD1 PHE 2 49 -1.937 11.775 -2.843 1.00 0.00 C ATOM 1589 CD2 PHE 2 49 -3.733 10.271 -3.091 1.00 0.00 C ATOM 1590 CE1 PHE 2 49 -2.059 12.145 -4.208 1.00 0.00 C ATOM 1591 CE2 PHE 2 49 -3.856 10.642 -4.456 1.00 0.00 C ATOM 1592 CZ PHE 2 49 -3.016 11.571 -4.986 1.00 0.00 C ATOM 0 H PHE 2 49 -0.323 9.566 -2.328 1.00 0.00 H new ATOM 0 HA PHE 2 49 -1.076 9.733 0.501 1.00 0.00 H new ATOM 0 HB2 PHE 2 49 -3.531 9.881 -0.548 1.00 0.00 H new ATOM 0 HB3 PHE 2 49 -2.627 11.348 -0.230 1.00 0.00 H new ATOM 0 HD1 PHE 2 49 -1.177 12.231 -2.226 1.00 0.00 H new ATOM 0 HD2 PHE 2 49 -4.399 9.532 -2.670 1.00 0.00 H new ATOM 0 HE1 PHE 2 49 -1.392 12.883 -4.629 1.00 0.00 H new ATOM 0 HE2 PHE 2 49 -4.616 10.187 -5.073 1.00 0.00 H new ATOM 0 HZ PHE 2 49 -3.109 11.853 -6.024 1.00 0.00 H new ATOM 1602 N LYS 2 50 -2.789 7.688 -0.104 1.00 0.00 N ATOM 1603 CA LYS 2 50 -3.214 6.304 -0.222 1.00 0.00 C ATOM 1604 C LYS 2 50 -4.645 6.258 -0.760 1.00 0.00 C ATOM 1605 O LYS 2 50 -5.582 5.964 -0.018 1.00 0.00 O ATOM 1606 CB LYS 2 50 -3.033 5.572 1.110 1.00 0.00 C ATOM 1607 CG LYS 2 50 -3.449 6.461 2.283 1.00 0.00 C ATOM 1608 CD LYS 2 50 -2.391 6.439 3.389 1.00 0.00 C ATOM 1609 CE LYS 2 50 -1.111 7.145 2.939 1.00 0.00 C ATOM 1610 NZ LYS 2 50 -1.335 8.605 2.830 1.00 0.00 N ATOM 0 H LYS 2 50 -3.371 8.262 0.507 1.00 0.00 H new ATOM 0 HA LYS 2 50 -2.587 5.773 -0.938 1.00 0.00 H new ATOM 0 HB2 LYS 2 50 -3.628 4.659 1.112 1.00 0.00 H new ATOM 0 HB3 LYS 2 50 -1.991 5.273 1.227 1.00 0.00 H new ATOM 0 HG2 LYS 2 50 -3.596 7.484 1.935 1.00 0.00 H new ATOM 0 HG3 LYS 2 50 -4.404 6.120 2.682 1.00 0.00 H new ATOM 0 HD2 LYS 2 50 -2.784 6.925 4.282 1.00 0.00 H new ATOM 0 HD3 LYS 2 50 -2.165 5.408 3.660 1.00 0.00 H new ATOM 0 HE2 LYS 2 50 -0.310 6.946 3.651 1.00 0.00 H new ATOM 0 HE3 LYS 2 50 -0.789 6.748 1.977 1.00 0.00 H new ATOM 0 HZ1 LYS 2 50 -0.668 9.008 2.141 1.00 0.00 H new ATOM 0 HZ2 LYS 2 50 -2.309 8.784 2.514 1.00 0.00 H new ATOM 0 HZ3 LYS 2 50 -1.185 9.049 3.758 1.00 0.00 H new ATOM 1624 N PRO 2 51 -4.774 6.560 -2.079 1.00 0.00 N ATOM 1625 CA PRO 2 51 -6.075 6.556 -2.726 1.00 0.00 C ATOM 1626 C PRO 2 51 -6.562 5.126 -2.970 1.00 0.00 C ATOM 1627 O PRO 2 51 -6.915 4.417 -2.028 1.00 0.00 O ATOM 1628 CB PRO 2 51 -5.880 7.344 -4.010 1.00 0.00 C ATOM 1629 CG PRO 2 51 -4.381 7.362 -4.264 1.00 0.00 C ATOM 1630 CD PRO 2 51 -3.686 6.911 -2.989 1.00 0.00 C ATOM 0 HA PRO 2 51 -6.851 7.010 -2.110 1.00 0.00 H new ATOM 0 HB2 PRO 2 51 -6.411 6.877 -4.839 1.00 0.00 H new ATOM 0 HB3 PRO 2 51 -6.272 8.356 -3.910 1.00 0.00 H new ATOM 0 HG2 PRO 2 51 -4.126 6.700 -5.092 1.00 0.00 H new ATOM 0 HG3 PRO 2 51 -4.053 8.363 -4.544 1.00 0.00 H new ATOM 0 HD2 PRO 2 51 -3.033 6.058 -3.174 1.00 0.00 H new ATOM 0 HD3 PRO 2 51 -3.064 7.704 -2.575 1.00 0.00 H new ATOM 1638 N LEU 2 52 -6.566 4.745 -4.239 1.00 0.00 N ATOM 1639 CA LEU 2 52 -7.002 3.412 -4.618 1.00 0.00 C ATOM 1640 C LEU 2 52 -5.797 2.470 -4.638 1.00 0.00 C ATOM 1641 O LEU 2 52 -5.744 1.541 -5.443 1.00 0.00 O ATOM 1642 CB LEU 2 52 -7.770 3.456 -5.941 1.00 0.00 C ATOM 1643 CG LEU 2 52 -6.918 3.558 -7.207 1.00 0.00 C ATOM 1644 CD1 LEU 2 52 -5.716 4.480 -6.987 1.00 0.00 C ATOM 1645 CD2 LEU 2 52 -6.496 2.172 -7.698 1.00 0.00 C ATOM 0 H LEU 2 52 -6.274 5.336 -5.017 1.00 0.00 H new ATOM 0 HA LEU 2 52 -7.702 3.017 -3.881 1.00 0.00 H new ATOM 0 HB2 LEU 2 52 -8.384 2.559 -6.012 1.00 0.00 H new ATOM 0 HB3 LEU 2 52 -8.451 4.307 -5.915 1.00 0.00 H new ATOM 0 HG LEU 2 52 -7.527 4.005 -7.993 1.00 0.00 H new ATOM 0 HD11 LEU 2 52 -5.127 4.535 -7.903 1.00 0.00 H new ATOM 0 HD12 LEU 2 52 -6.066 5.477 -6.721 1.00 0.00 H new ATOM 0 HD13 LEU 2 52 -5.098 4.085 -6.181 1.00 0.00 H new ATOM 0 HD21 LEU 2 52 -5.891 2.274 -8.599 1.00 0.00 H new ATOM 0 HD22 LEU 2 52 -5.912 1.674 -6.924 1.00 0.00 H new ATOM 0 HD23 LEU 2 52 -7.383 1.579 -7.921 1.00 0.00 H new ATOM 1657 N GLN 2 53 -4.858 2.744 -3.744 1.00 0.00 N ATOM 1658 CA GLN 2 53 -3.656 1.933 -3.649 1.00 0.00 C ATOM 1659 C GLN 2 53 -4.007 0.447 -3.770 1.00 0.00 C ATOM 1660 O GLN 2 53 -3.167 -0.362 -4.158 1.00 0.00 O ATOM 1661 CB GLN 2 53 -2.906 2.214 -2.346 1.00 0.00 C ATOM 1662 CG GLN 2 53 -2.495 3.685 -2.257 1.00 0.00 C ATOM 1663 CD GLN 2 53 -1.522 4.051 -3.381 1.00 0.00 C ATOM 1664 OE1 GLN 2 53 -0.313 3.958 -3.245 1.00 0.00 O ATOM 1665 NE2 GLN 2 53 -2.116 4.470 -4.495 1.00 0.00 N ATOM 0 H GLN 2 53 -4.905 3.516 -3.079 1.00 0.00 H new ATOM 0 HA GLN 2 53 -2.996 2.199 -4.474 1.00 0.00 H new ATOM 0 HB2 GLN 2 53 -3.538 1.957 -1.496 1.00 0.00 H new ATOM 0 HB3 GLN 2 53 -2.021 1.581 -2.288 1.00 0.00 H new ATOM 0 HG2 GLN 2 53 -3.380 4.318 -2.317 1.00 0.00 H new ATOM 0 HG3 GLN 2 53 -2.029 3.879 -1.291 1.00 0.00 H new ATOM 0 HE21 GLN 2 53 -3.134 4.524 -4.541 1.00 0.00 H new ATOM 0 HE22 GLN 2 53 -1.554 4.737 -5.303 1.00 0.00 H new ATOM 1674 N GLU 2 54 -5.249 0.136 -3.430 1.00 0.00 N ATOM 1675 CA GLU 2 54 -5.721 -1.236 -3.495 1.00 0.00 C ATOM 1676 C GLU 2 54 -5.057 -1.971 -4.661 1.00 0.00 C ATOM 1677 O GLU 2 54 -4.859 -3.183 -4.603 1.00 0.00 O ATOM 1678 CB GLU 2 54 -7.245 -1.287 -3.612 1.00 0.00 C ATOM 1679 CG GLU 2 54 -7.890 -1.578 -2.255 1.00 0.00 C ATOM 1680 CD GLU 2 54 -9.122 -0.699 -2.033 1.00 0.00 C ATOM 1681 OE1 GLU 2 54 -8.922 0.467 -1.630 1.00 0.00 O ATOM 1682 OE2 GLU 2 54 -10.237 -1.212 -2.271 1.00 0.00 O ATOM 0 H GLU 2 54 -5.943 0.811 -3.109 1.00 0.00 H new ATOM 0 HA GLU 2 54 -5.444 -1.739 -2.569 1.00 0.00 H new ATOM 0 HB2 GLU 2 54 -7.616 -0.338 -3.999 1.00 0.00 H new ATOM 0 HB3 GLU 2 54 -7.533 -2.057 -4.328 1.00 0.00 H new ATOM 0 HG2 GLU 2 54 -8.174 -2.629 -2.202 1.00 0.00 H new ATOM 0 HG3 GLU 2 54 -7.166 -1.403 -1.459 1.00 0.00 H new ATOM 1689 N ALA 2 55 -4.731 -1.205 -5.692 1.00 0.00 N ATOM 1690 CA ALA 2 55 -4.093 -1.769 -6.870 1.00 0.00 C ATOM 1691 C ALA 2 55 -3.220 -2.954 -6.454 1.00 0.00 C ATOM 1692 O ALA 2 55 -3.465 -4.086 -6.868 1.00 0.00 O ATOM 1693 CB ALA 2 55 -3.294 -0.680 -7.588 1.00 0.00 C ATOM 0 H ALA 2 55 -4.896 -0.199 -5.736 1.00 0.00 H new ATOM 0 HA ALA 2 55 -4.841 -2.141 -7.571 1.00 0.00 H new ATOM 0 HB1 ALA 2 55 -2.815 -1.103 -8.471 1.00 0.00 H new ATOM 0 HB2 ALA 2 55 -3.965 0.125 -7.889 1.00 0.00 H new ATOM 0 HB3 ALA 2 55 -2.532 -0.285 -6.916 1.00 0.00 H new ATOM 1699 N GLU 2 56 -2.219 -2.654 -5.640 1.00 0.00 N ATOM 1700 CA GLU 2 56 -1.307 -3.681 -5.164 1.00 0.00 C ATOM 1701 C GLU 2 56 -0.962 -3.442 -3.693 1.00 0.00 C ATOM 1702 O GLU 2 56 0.006 -4.003 -3.180 1.00 0.00 O ATOM 1703 CB GLU 2 56 -0.043 -3.733 -6.023 1.00 0.00 C ATOM 1704 CG GLU 2 56 -0.190 -4.752 -7.155 1.00 0.00 C ATOM 1705 CD GLU 2 56 0.702 -4.385 -8.343 1.00 0.00 C ATOM 1706 OE1 GLU 2 56 1.854 -3.978 -8.082 1.00 0.00 O ATOM 1707 OE2 GLU 2 56 0.211 -4.521 -9.484 1.00 0.00 O ATOM 0 H GLU 2 56 -2.019 -1.714 -5.298 1.00 0.00 H new ATOM 0 HA GLU 2 56 -1.803 -4.648 -5.249 1.00 0.00 H new ATOM 0 HB2 GLU 2 56 0.158 -2.746 -6.441 1.00 0.00 H new ATOM 0 HB3 GLU 2 56 0.813 -3.996 -5.401 1.00 0.00 H new ATOM 0 HG2 GLU 2 56 0.073 -5.745 -6.791 1.00 0.00 H new ATOM 0 HG3 GLU 2 56 -1.230 -4.796 -7.477 1.00 0.00 H new ATOM 1714 N CYS 2 57 -1.772 -2.610 -3.055 1.00 0.00 N ATOM 1715 CA CYS 2 57 -1.563 -2.291 -1.653 1.00 0.00 C ATOM 1716 C CYS 2 57 -2.313 -3.323 -0.809 1.00 0.00 C ATOM 1717 O CYS 2 57 -1.700 -4.074 -0.052 1.00 0.00 O ATOM 1718 CB CYS 2 57 -2.001 -0.861 -1.327 1.00 0.00 C ATOM 1719 SG CYS 2 57 -0.695 0.193 -0.595 1.00 0.00 S ATOM 0 H CYS 2 57 -2.574 -2.147 -3.483 1.00 0.00 H new ATOM 0 HA CYS 2 57 -0.499 -2.337 -1.422 1.00 0.00 H new ATOM 0 HB2 CYS 2 57 -2.360 -0.388 -2.241 1.00 0.00 H new ATOM 0 HB3 CYS 2 57 -2.844 -0.902 -0.637 1.00 0.00 H new ATOM 1724 N THR 2 58 -3.628 -3.327 -0.967 1.00 0.00 N ATOM 1725 CA THR 2 58 -4.469 -4.254 -0.228 1.00 0.00 C ATOM 1726 C THR 2 58 -4.217 -5.690 -0.695 1.00 0.00 C ATOM 1727 O THR 2 58 -4.036 -6.589 0.123 1.00 0.00 O ATOM 1728 CB THR 2 58 -5.923 -3.808 -0.392 1.00 0.00 C ATOM 1729 OG1 THR 2 58 -6.552 -4.221 0.818 1.00 0.00 O ATOM 1730 CG2 THR 2 58 -6.657 -4.594 -1.481 1.00 0.00 C ATOM 0 H THR 2 58 -4.133 -2.703 -1.596 1.00 0.00 H new ATOM 0 HA THR 2 58 -4.230 -4.244 0.835 1.00 0.00 H new ATOM 0 HB THR 2 58 -5.952 -2.745 -0.630 1.00 0.00 H new ATOM 0 HG1 THR 2 58 -7.499 -3.969 0.797 1.00 0.00 H new ATOM 0 HG21 THR 2 58 -7.685 -4.238 -1.557 1.00 0.00 H new ATOM 0 HG22 THR 2 58 -6.152 -4.450 -2.436 1.00 0.00 H new ATOM 0 HG23 THR 2 58 -6.658 -5.654 -1.227 1.00 0.00 H new ATOM 1738 N PHE 2 59 -4.213 -5.858 -2.009 1.00 0.00 N ATOM 1739 CA PHE 2 59 -3.986 -7.168 -2.595 1.00 0.00 C ATOM 1740 C PHE 2 59 -2.827 -7.886 -1.900 1.00 0.00 C ATOM 1741 O PHE 2 59 -1.664 -7.659 -2.233 1.00 0.00 O ATOM 1742 CB PHE 2 59 -3.626 -6.945 -4.065 1.00 0.00 C ATOM 1743 CG PHE 2 59 -4.777 -7.216 -5.036 1.00 0.00 C ATOM 1744 CD1 PHE 2 59 -5.955 -6.552 -4.896 1.00 0.00 C ATOM 1745 CD2 PHE 2 59 -4.621 -8.121 -6.039 1.00 0.00 C ATOM 1746 CE1 PHE 2 59 -7.023 -6.804 -5.797 1.00 0.00 C ATOM 1747 CE2 PHE 2 59 -5.689 -8.372 -6.940 1.00 0.00 C ATOM 1748 CZ PHE 2 59 -6.868 -7.708 -6.799 1.00 0.00 C ATOM 0 H PHE 2 59 -4.363 -5.109 -2.685 1.00 0.00 H new ATOM 0 HA PHE 2 59 -4.878 -7.785 -2.485 1.00 0.00 H new ATOM 0 HB2 PHE 2 59 -3.290 -5.916 -4.194 1.00 0.00 H new ATOM 0 HB3 PHE 2 59 -2.786 -7.589 -4.324 1.00 0.00 H new ATOM 0 HD1 PHE 2 59 -6.078 -5.833 -4.100 1.00 0.00 H new ATOM 0 HD2 PHE 2 59 -3.685 -8.648 -6.150 1.00 0.00 H new ATOM 0 HE1 PHE 2 59 -7.959 -6.277 -5.686 1.00 0.00 H new ATOM 0 HE2 PHE 2 59 -5.566 -9.090 -7.737 1.00 0.00 H new ATOM 0 HZ PHE 2 59 -7.681 -7.900 -7.484 1.00 0.00 H new TER 1758 PHE 2 59