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+ 180:sc= 0 (180deg=0) USER MOD Single : 1 3 TYR OH : rot 180:sc= 0 USER MOD Single : 1 7 SER OG : rot 180:sc= 0.764 USER MOD Single : 1 9 ASN : amide:sc= -3.2! K(o=-3.2!,f=-1.4) USER MOD Single : 1 10 GLN : amide:sc= -20.9! C(o=-21!,f=-19!) USER MOD Single : 1 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 23 TYR OH : rot -145:sc= -2.84! USER MOD Single : 1 25 HIS : no HD1:sc=-0.000129 X(o=-0.00013,f=-0.079) USER MOD Single : 1 27 THR OG1 : rot 55:sc= 0.136 USER MOD Single : 1 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 32 ASN : amide:sc= -2.54 K(o=-2.5,f=-0.4) USER MOD Single : 1 33 ASN : amide:sc= -0.0912 K(o=-0.091,f=-1.9!) USER MOD Single : 1 40 SER OG : rot -75:sc= 0.747 USER MOD Single : 1 50 LYS NZ :NH3+ -150:sc= -1.5! (180deg=-2.65!) USER MOD Single : 1 53 GLN : amide:sc= -9.23! C(o=-9.2!,f=-13!) USER MOD Single : 1 58 THR OG1 : rot -7:sc= -2.11 USER MOD Single : 2 1 GLU N :NH3+ 160:sc= -0.0166 (180deg=-0.168) USER MOD Single : 2 3 TYR OH : rot 180:sc= 0 USER MOD Single : 2 7 SER OG : rot 156:sc= 0.777 USER MOD Single : 2 9 ASN : amide:sc= -0.0866 X(o=-0.087,f=-0.24) USER MOD Single : 2 10 GLN : amide:sc= -9.13! C(o=-9.1!,f=-7!) USER MOD Single : 2 16 LYS NZ :NH3+ 168:sc= -0.0471 (180deg=-0.16) USER MOD Single : 2 23 TYR OH : rot 174:sc= 0.393 USER MOD Single : 2 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : 2 27 THR OG1 : rot 60:sc= 0.123 USER MOD Single : 2 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 2 32 ASN : amide:sc= -1.61 K(o=-1.6,f=-0.17) USER MOD Single : 2 33 ASN : amide:sc= -0.0151 K(o=-0.015,f=-1.6) USER MOD Single : 2 40 SER OG : rot 180:sc= 0 USER MOD Single : 2 50 LYS NZ :NH3+ -160:sc= 0.616! (180deg=-0.00433!) USER MOD Single : 2 53 GLN : amide:sc= -9.15! C(o=-9.2!,f=-17!) USER MOD Single : 2 58 THR OG1 : rot 180:sc= -1.13 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU 1 1 -18.074 -9.154 -2.928 1.00 0.00 N ATOM 2 CA GLU 1 1 -16.759 -8.869 -2.380 1.00 0.00 C ATOM 3 C GLU 1 1 -16.171 -10.124 -1.731 1.00 0.00 C ATOM 4 O GLU 1 1 -16.527 -10.470 -0.605 1.00 0.00 O ATOM 5 CB GLU 1 1 -16.821 -7.713 -1.380 1.00 0.00 C ATOM 6 CG GLU 1 1 -16.680 -6.365 -2.090 1.00 0.00 C ATOM 7 CD GLU 1 1 -15.235 -5.865 -2.037 1.00 0.00 C ATOM 8 OE1 GLU 1 1 -14.382 -6.526 -2.667 1.00 0.00 O ATOM 9 OE2 GLU 1 1 -15.017 -4.833 -1.365 1.00 0.00 O ATOM 0 H1 GLU 1 1 -18.462 -8.294 -3.365 1.00 0.00 H new ATOM 0 H2 GLU 1 1 -17.996 -9.903 -3.646 1.00 0.00 H new ATOM 0 H3 GLU 1 1 -18.707 -9.470 -2.166 1.00 0.00 H new ATOM 0 HA GLU 1 1 -16.104 -8.565 -3.197 1.00 0.00 H new ATOM 0 HB2 GLU 1 1 -17.767 -7.746 -0.839 1.00 0.00 H new ATOM 0 HB3 GLU 1 1 -16.027 -7.824 -0.641 1.00 0.00 H new ATOM 0 HG2 GLU 1 1 -16.997 -6.462 -3.128 1.00 0.00 H new ATOM 0 HG3 GLU 1 1 -17.339 -5.633 -1.623 1.00 0.00 H new ATOM 16 N GLU 1 2 -15.281 -10.771 -2.469 1.00 0.00 N ATOM 17 CA GLU 1 2 -14.640 -11.980 -1.979 1.00 0.00 C ATOM 18 C GLU 1 2 -13.360 -11.631 -1.216 1.00 0.00 C ATOM 19 O GLU 1 2 -12.270 -12.045 -1.605 1.00 0.00 O ATOM 20 CB GLU 1 2 -14.348 -12.948 -3.127 1.00 0.00 C ATOM 21 CG GLU 1 2 -14.859 -14.353 -2.803 1.00 0.00 C ATOM 22 CD GLU 1 2 -14.981 -15.199 -4.073 1.00 0.00 C ATOM 23 OE1 GLU 1 2 -13.917 -15.620 -4.578 1.00 0.00 O ATOM 24 OE2 GLU 1 2 -16.134 -15.405 -4.509 1.00 0.00 O ATOM 0 H GLU 1 2 -14.989 -10.481 -3.402 1.00 0.00 H new ATOM 0 HA GLU 1 2 -15.324 -12.478 -1.292 1.00 0.00 H new ATOM 0 HB2 GLU 1 2 -14.820 -12.587 -4.041 1.00 0.00 H new ATOM 0 HB3 GLU 1 2 -13.275 -12.982 -3.315 1.00 0.00 H new ATOM 0 HG2 GLU 1 2 -14.180 -14.838 -2.102 1.00 0.00 H new ATOM 0 HG3 GLU 1 2 -15.830 -14.286 -2.311 1.00 0.00 H new ATOM 31 N TYR 1 3 -13.537 -10.872 -0.144 1.00 0.00 N ATOM 32 CA TYR 1 3 -12.410 -10.463 0.676 1.00 0.00 C ATOM 33 C TYR 1 3 -11.795 -11.663 1.400 1.00 0.00 C ATOM 34 O TYR 1 3 -11.862 -11.754 2.625 1.00 0.00 O ATOM 35 CB TYR 1 3 -12.976 -9.492 1.714 1.00 0.00 C ATOM 36 CG TYR 1 3 -14.236 -9.997 2.418 1.00 0.00 C ATOM 37 CD1 TYR 1 3 -15.478 -9.750 1.871 1.00 0.00 C ATOM 38 CD2 TYR 1 3 -14.130 -10.701 3.602 1.00 0.00 C ATOM 39 CE1 TYR 1 3 -16.665 -10.225 2.535 1.00 0.00 C ATOM 40 CE2 TYR 1 3 -15.317 -11.177 4.264 1.00 0.00 C ATOM 41 CZ TYR 1 3 -16.526 -10.915 3.698 1.00 0.00 C ATOM 42 OH TYR 1 3 -17.646 -11.365 4.323 1.00 0.00 O ATOM 0 H TYR 1 3 -14.443 -10.530 0.175 1.00 0.00 H new ATOM 0 HA TYR 1 3 -11.631 -10.012 0.061 1.00 0.00 H new ATOM 0 HB2 TYR 1 3 -12.210 -9.290 2.463 1.00 0.00 H new ATOM 0 HB3 TYR 1 3 -13.201 -8.544 1.225 1.00 0.00 H new ATOM 0 HD1 TYR 1 3 -15.561 -9.201 0.945 1.00 0.00 H new ATOM 0 HD2 TYR 1 3 -13.158 -10.894 4.031 1.00 0.00 H new ATOM 0 HE1 TYR 1 3 -17.643 -10.037 2.118 1.00 0.00 H new ATOM 0 HE2 TYR 1 3 -15.249 -11.730 5.189 1.00 0.00 H new ATOM 0 HH TYR 1 3 -17.395 -11.842 5.141 1.00 0.00 H new ATOM 52 N VAL 1 4 -11.208 -12.552 0.612 1.00 0.00 N ATOM 53 CA VAL 1 4 -10.582 -13.741 1.162 1.00 0.00 C ATOM 54 C VAL 1 4 -9.086 -13.719 0.842 1.00 0.00 C ATOM 55 O VAL 1 4 -8.253 -13.697 1.746 1.00 0.00 O ATOM 56 CB VAL 1 4 -11.287 -14.994 0.639 1.00 0.00 C ATOM 57 CG1 VAL 1 4 -10.505 -16.257 1.006 1.00 0.00 C ATOM 58 CG2 VAL 1 4 -12.724 -15.070 1.156 1.00 0.00 C ATOM 0 H VAL 1 4 -11.153 -12.472 -0.403 1.00 0.00 H new ATOM 0 HA VAL 1 4 -10.682 -13.758 2.247 1.00 0.00 H new ATOM 0 HB VAL 1 4 -11.325 -14.928 -0.448 1.00 0.00 H new ATOM 0 HG11 VAL 1 4 -11.028 -17.133 0.622 1.00 0.00 H new ATOM 0 HG12 VAL 1 4 -9.508 -16.208 0.567 1.00 0.00 H new ATOM 0 HG13 VAL 1 4 -10.421 -16.331 2.090 1.00 0.00 H new ATOM 0 HG21 VAL 1 4 -13.203 -15.970 0.770 1.00 0.00 H new ATOM 0 HG22 VAL 1 4 -12.717 -15.102 2.246 1.00 0.00 H new ATOM 0 HG23 VAL 1 4 -13.278 -14.193 0.822 1.00 0.00 H new ATOM 68 N GLY 1 5 -8.790 -13.726 -0.450 1.00 0.00 N ATOM 69 CA GLY 1 5 -7.409 -13.707 -0.903 1.00 0.00 C ATOM 70 C GLY 1 5 -6.762 -12.348 -0.628 1.00 0.00 C ATOM 71 O GLY 1 5 -5.620 -12.111 -1.019 1.00 0.00 O ATOM 0 H GLY 1 5 -9.483 -13.745 -1.198 1.00 0.00 H new ATOM 0 HA2 GLY 1 5 -6.846 -14.491 -0.397 1.00 0.00 H new ATOM 0 HA3 GLY 1 5 -7.369 -13.924 -1.971 1.00 0.00 H new ATOM 75 N LEU 1 6 -7.517 -11.493 0.044 1.00 0.00 N ATOM 76 CA LEU 1 6 -7.030 -10.164 0.376 1.00 0.00 C ATOM 77 C LEU 1 6 -7.547 -9.768 1.760 1.00 0.00 C ATOM 78 O LEU 1 6 -7.498 -8.597 2.133 1.00 0.00 O ATOM 79 CB LEU 1 6 -7.398 -9.169 -0.726 1.00 0.00 C ATOM 80 CG LEU 1 6 -8.894 -8.995 -1.002 1.00 0.00 C ATOM 81 CD1 LEU 1 6 -9.516 -10.304 -1.491 1.00 0.00 C ATOM 82 CD2 LEU 1 6 -9.617 -8.440 0.226 1.00 0.00 C ATOM 0 H LEU 1 6 -8.463 -11.694 0.368 1.00 0.00 H new ATOM 0 HA LEU 1 6 -5.941 -10.158 0.428 1.00 0.00 H new ATOM 0 HB2 LEU 1 6 -6.982 -8.196 -0.463 1.00 0.00 H new ATOM 0 HB3 LEU 1 6 -6.913 -9.485 -1.650 1.00 0.00 H new ATOM 0 HG LEU 1 6 -9.012 -8.264 -1.802 1.00 0.00 H new ATOM 0 HD11 LEU 1 6 -10.579 -10.154 -1.680 1.00 0.00 H new ATOM 0 HD12 LEU 1 6 -9.025 -10.619 -2.412 1.00 0.00 H new ATOM 0 HD13 LEU 1 6 -9.388 -11.074 -0.730 1.00 0.00 H new ATOM 0 HD21 LEU 1 6 -10.678 -8.326 0.003 1.00 0.00 H new ATOM 0 HD22 LEU 1 6 -9.494 -9.128 1.062 1.00 0.00 H new ATOM 0 HD23 LEU 1 6 -9.195 -7.470 0.489 1.00 0.00 H new ATOM 94 N SER 1 7 -8.031 -10.766 2.485 1.00 0.00 N ATOM 95 CA SER 1 7 -8.555 -10.537 3.820 1.00 0.00 C ATOM 96 C SER 1 7 -7.405 -10.316 4.804 1.00 0.00 C ATOM 97 O SER 1 7 -6.250 -10.191 4.397 1.00 0.00 O ATOM 98 CB SER 1 7 -9.428 -11.707 4.278 1.00 0.00 C ATOM 99 OG SER 1 7 -8.690 -12.658 5.039 1.00 0.00 O ATOM 0 H SER 1 7 -8.071 -11.736 2.172 1.00 0.00 H new ATOM 0 HA SER 1 7 -9.178 -9.643 3.793 1.00 0.00 H new ATOM 0 HB2 SER 1 7 -10.257 -11.328 4.876 1.00 0.00 H new ATOM 0 HB3 SER 1 7 -9.862 -12.198 3.407 1.00 0.00 H new ATOM 0 HG SER 1 7 -9.283 -13.388 5.314 1.00 0.00 H new ATOM 105 N ALA 1 8 -7.759 -10.276 6.080 1.00 0.00 N ATOM 106 CA ALA 1 8 -6.770 -10.074 7.125 1.00 0.00 C ATOM 107 C ALA 1 8 -5.914 -11.334 7.263 1.00 0.00 C ATOM 108 O ALA 1 8 -4.935 -11.346 8.007 1.00 0.00 O ATOM 109 CB ALA 1 8 -7.475 -9.702 8.430 1.00 0.00 C ATOM 0 H ALA 1 8 -8.717 -10.380 6.414 1.00 0.00 H new ATOM 0 HA ALA 1 8 -6.104 -9.250 6.868 1.00 0.00 H new ATOM 0 HB1 ALA 1 8 -6.733 -9.550 9.214 1.00 0.00 H new ATOM 0 HB2 ALA 1 8 -8.044 -8.784 8.287 1.00 0.00 H new ATOM 0 HB3 ALA 1 8 -8.151 -10.506 8.721 1.00 0.00 H new ATOM 115 N ASN 1 9 -6.315 -12.366 6.535 1.00 0.00 N ATOM 116 CA ASN 1 9 -5.597 -13.630 6.566 1.00 0.00 C ATOM 117 C ASN 1 9 -4.705 -13.735 5.328 1.00 0.00 C ATOM 118 O ASN 1 9 -3.934 -14.684 5.193 1.00 0.00 O ATOM 119 CB ASN 1 9 -6.566 -14.813 6.554 1.00 0.00 C ATOM 120 CG ASN 1 9 -5.807 -16.142 6.551 1.00 0.00 C ATOM 121 OD1 ASN 1 9 -6.106 -17.056 5.800 1.00 0.00 O ATOM 122 ND2 ASN 1 9 -4.812 -16.198 7.431 1.00 0.00 N ATOM 0 H ASN 1 9 -7.128 -12.353 5.920 1.00 0.00 H new ATOM 0 HA ASN 1 9 -5.004 -13.660 7.480 1.00 0.00 H new ATOM 0 HB2 ASN 1 9 -7.217 -14.764 7.427 1.00 0.00 H new ATOM 0 HB3 ASN 1 9 -7.207 -14.754 5.674 1.00 0.00 H new ATOM 0 HD21 ASN 1 9 -4.245 -17.043 7.507 1.00 0.00 H new ATOM 0 HD22 ASN 1 9 -4.615 -15.396 8.030 1.00 0.00 H new ATOM 129 N GLN 1 10 -4.838 -12.748 4.455 1.00 0.00 N ATOM 130 CA GLN 1 10 -4.054 -12.717 3.233 1.00 0.00 C ATOM 131 C GLN 1 10 -2.568 -12.557 3.560 1.00 0.00 C ATOM 132 O GLN 1 10 -1.716 -13.152 2.901 1.00 0.00 O ATOM 133 CB GLN 1 10 -4.533 -11.603 2.301 1.00 0.00 C ATOM 134 CG GLN 1 10 -3.692 -10.338 2.480 1.00 0.00 C ATOM 135 CD GLN 1 10 -4.161 -9.229 1.536 1.00 0.00 C ATOM 136 OE1 GLN 1 10 -5.117 -8.518 1.797 1.00 0.00 O ATOM 137 NE2 GLN 1 10 -3.436 -9.122 0.426 1.00 0.00 N ATOM 0 H GLN 1 10 -5.478 -11.962 4.570 1.00 0.00 H new ATOM 0 HA GLN 1 10 -4.192 -13.665 2.712 1.00 0.00 H new ATOM 0 HB2 GLN 1 10 -4.474 -11.940 1.266 1.00 0.00 H new ATOM 0 HB3 GLN 1 10 -5.580 -11.379 2.504 1.00 0.00 H new ATOM 0 HG2 GLN 1 10 -3.760 -9.995 3.512 1.00 0.00 H new ATOM 0 HG3 GLN 1 10 -2.643 -10.564 2.288 1.00 0.00 H new ATOM 0 HE21 GLN 1 10 -2.648 -9.750 0.269 1.00 0.00 H new ATOM 0 HE22 GLN 1 10 -3.668 -8.412 -0.269 1.00 0.00 H new ATOM 146 N CYS 1 11 -2.302 -11.750 4.577 1.00 0.00 N ATOM 147 CA CYS 1 11 -0.934 -11.505 4.999 1.00 0.00 C ATOM 148 C CYS 1 11 -0.345 -12.821 5.508 1.00 0.00 C ATOM 149 O CYS 1 11 0.852 -12.905 5.783 1.00 0.00 O ATOM 150 CB CYS 1 11 -0.858 -10.399 6.055 1.00 0.00 C ATOM 151 SG CYS 1 11 0.787 -10.190 6.829 1.00 0.00 S ATOM 0 H CYS 1 11 -3.011 -11.258 5.121 1.00 0.00 H new ATOM 0 HA CYS 1 11 -0.347 -11.150 4.152 1.00 0.00 H new ATOM 0 HB2 CYS 1 11 -1.150 -9.455 5.594 1.00 0.00 H new ATOM 0 HB3 CYS 1 11 -1.588 -10.611 6.837 1.00 0.00 H new ATOM 156 N ALA 1 12 -1.211 -13.817 5.620 1.00 0.00 N ATOM 157 CA ALA 1 12 -0.791 -15.125 6.091 1.00 0.00 C ATOM 158 C ALA 1 12 -0.810 -16.114 4.923 1.00 0.00 C ATOM 159 O ALA 1 12 -0.798 -17.327 5.131 1.00 0.00 O ATOM 160 CB ALA 1 12 -1.695 -15.568 7.244 1.00 0.00 C ATOM 0 H ALA 1 12 -2.203 -13.744 5.392 1.00 0.00 H new ATOM 0 HA ALA 1 12 0.229 -15.085 6.473 1.00 0.00 H new ATOM 0 HB1 ALA 1 12 -1.379 -16.550 7.597 1.00 0.00 H new ATOM 0 HB2 ALA 1 12 -1.623 -14.849 8.060 1.00 0.00 H new ATOM 0 HB3 ALA 1 12 -2.727 -15.622 6.897 1.00 0.00 H new ATOM 166 N VAL 1 13 -0.840 -15.558 3.721 1.00 0.00 N ATOM 167 CA VAL 1 13 -0.862 -16.376 2.520 1.00 0.00 C ATOM 168 C VAL 1 13 0.160 -17.507 2.659 1.00 0.00 C ATOM 169 O VAL 1 13 0.992 -17.488 3.564 1.00 0.00 O ATOM 170 CB VAL 1 13 -0.621 -15.502 1.288 1.00 0.00 C ATOM 171 CG1 VAL 1 13 0.767 -15.758 0.696 1.00 0.00 C ATOM 172 CG2 VAL 1 13 -1.712 -15.721 0.237 1.00 0.00 C ATOM 0 H VAL 1 13 -0.850 -14.552 3.553 1.00 0.00 H new ATOM 0 HA VAL 1 13 -1.841 -16.837 2.390 1.00 0.00 H new ATOM 0 HB VAL 1 13 -0.664 -14.460 1.605 1.00 0.00 H new ATOM 0 HG11 VAL 1 13 0.912 -15.124 -0.179 1.00 0.00 H new ATOM 0 HG12 VAL 1 13 1.528 -15.528 1.441 1.00 0.00 H new ATOM 0 HG13 VAL 1 13 0.850 -16.805 0.403 1.00 0.00 H new ATOM 0 HG21 VAL 1 13 -1.516 -15.087 -0.628 1.00 0.00 H new ATOM 0 HG22 VAL 1 13 -1.715 -16.766 -0.072 1.00 0.00 H new ATOM 0 HG23 VAL 1 13 -2.683 -15.465 0.662 1.00 0.00 H new ATOM 182 N PRO 1 14 0.059 -18.491 1.725 1.00 0.00 N ATOM 183 CA PRO 1 14 0.964 -19.627 1.735 1.00 0.00 C ATOM 184 C PRO 1 14 2.350 -19.230 1.220 1.00 0.00 C ATOM 185 O PRO 1 14 3.074 -20.061 0.674 1.00 0.00 O ATOM 186 CB PRO 1 14 0.288 -20.677 0.870 1.00 0.00 C ATOM 187 CG PRO 1 14 -0.739 -19.930 0.034 1.00 0.00 C ATOM 188 CD PRO 1 14 -0.914 -18.545 0.638 1.00 0.00 C ATOM 0 HA PRO 1 14 1.143 -20.012 2.739 1.00 0.00 H new ATOM 0 HB2 PRO 1 14 1.013 -21.186 0.235 1.00 0.00 H new ATOM 0 HB3 PRO 1 14 -0.189 -21.441 1.484 1.00 0.00 H new ATOM 0 HG2 PRO 1 14 -0.407 -19.856 -1.002 1.00 0.00 H new ATOM 0 HG3 PRO 1 14 -1.688 -20.466 0.027 1.00 0.00 H new ATOM 0 HD2 PRO 1 14 -0.728 -17.765 -0.100 1.00 0.00 H new ATOM 0 HD3 PRO 1 14 -1.929 -18.399 1.007 1.00 0.00 H new ATOM 196 N ALA 1 15 2.676 -17.960 1.411 1.00 0.00 N ATOM 197 CA ALA 1 15 3.960 -17.443 0.971 1.00 0.00 C ATOM 198 C ALA 1 15 4.160 -17.773 -0.509 1.00 0.00 C ATOM 199 O ALA 1 15 4.961 -18.639 -0.854 1.00 0.00 O ATOM 200 CB ALA 1 15 5.071 -18.021 1.852 1.00 0.00 C ATOM 0 H ALA 1 15 2.073 -17.274 1.865 1.00 0.00 H new ATOM 0 HA ALA 1 15 3.992 -16.358 1.073 1.00 0.00 H new ATOM 0 HB1 ALA 1 15 6.035 -17.634 1.523 1.00 0.00 H new ATOM 0 HB2 ALA 1 15 4.900 -17.733 2.889 1.00 0.00 H new ATOM 0 HB3 ALA 1 15 5.070 -19.108 1.772 1.00 0.00 H new ATOM 206 N LYS 1 16 3.414 -17.064 -1.345 1.00 0.00 N ATOM 207 CA LYS 1 16 3.499 -17.270 -2.781 1.00 0.00 C ATOM 208 C LYS 1 16 2.295 -16.612 -3.458 1.00 0.00 C ATOM 209 O LYS 1 16 1.707 -17.181 -4.376 1.00 0.00 O ATOM 210 CB LYS 1 16 3.645 -18.760 -3.101 1.00 0.00 C ATOM 211 CG LYS 1 16 2.815 -19.612 -2.139 1.00 0.00 C ATOM 212 CD LYS 1 16 1.925 -20.593 -2.904 1.00 0.00 C ATOM 213 CE LYS 1 16 2.542 -21.994 -2.920 1.00 0.00 C ATOM 214 NZ LYS 1 16 1.521 -23.006 -3.272 1.00 0.00 N ATOM 0 H LYS 1 16 2.749 -16.347 -1.055 1.00 0.00 H new ATOM 0 HA LYS 1 16 4.393 -16.792 -3.182 1.00 0.00 H new ATOM 0 HB2 LYS 1 16 3.326 -18.948 -4.126 1.00 0.00 H new ATOM 0 HB3 LYS 1 16 4.694 -19.049 -3.035 1.00 0.00 H new ATOM 0 HG2 LYS 1 16 3.477 -20.162 -1.470 1.00 0.00 H new ATOM 0 HG3 LYS 1 16 2.198 -18.966 -1.515 1.00 0.00 H new ATOM 0 HD2 LYS 1 16 0.939 -20.631 -2.442 1.00 0.00 H new ATOM 0 HD3 LYS 1 16 1.785 -20.242 -3.926 1.00 0.00 H new ATOM 0 HE2 LYS 1 16 3.360 -22.029 -3.639 1.00 0.00 H new ATOM 0 HE3 LYS 1 16 2.967 -22.222 -1.942 1.00 0.00 H new ATOM 0 HZ1 LYS 1 16 1.956 -23.951 -3.278 1.00 0.00 H new ATOM 0 HZ2 LYS 1 16 0.753 -22.983 -2.571 1.00 0.00 H new ATOM 0 HZ3 LYS 1 16 1.135 -22.796 -4.215 1.00 0.00 H new ATOM 228 N ASP 1 17 1.964 -15.422 -2.978 1.00 0.00 N ATOM 229 CA ASP 1 17 0.842 -14.680 -3.526 1.00 0.00 C ATOM 230 C ASP 1 17 1.009 -13.195 -3.199 1.00 0.00 C ATOM 231 O ASP 1 17 0.090 -12.404 -3.403 1.00 0.00 O ATOM 232 CB ASP 1 17 -0.480 -15.152 -2.917 1.00 0.00 C ATOM 233 CG ASP 1 17 -1.731 -14.769 -3.710 1.00 0.00 C ATOM 234 OD1 ASP 1 17 -2.073 -13.567 -3.685 1.00 0.00 O ATOM 235 OD2 ASP 1 17 -2.318 -15.687 -4.323 1.00 0.00 O ATOM 0 H ASP 1 17 2.454 -14.954 -2.216 1.00 0.00 H new ATOM 0 HA ASP 1 17 0.823 -14.845 -4.603 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 -0.450 -16.237 -2.817 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 -0.566 -14.742 -1.911 1.00 0.00 H new ATOM 240 N ARG 1 18 2.188 -12.862 -2.696 1.00 0.00 N ATOM 241 CA ARG 1 18 2.488 -11.486 -2.337 1.00 0.00 C ATOM 242 C ARG 1 18 3.123 -10.755 -3.523 1.00 0.00 C ATOM 243 O ARG 1 18 3.357 -11.353 -4.572 1.00 0.00 O ATOM 244 CB ARG 1 18 3.438 -11.423 -1.140 1.00 0.00 C ATOM 245 CG ARG 1 18 2.984 -12.371 -0.029 1.00 0.00 C ATOM 246 CD ARG 1 18 4.183 -13.054 0.633 1.00 0.00 C ATOM 247 NE ARG 1 18 3.736 -13.825 1.815 1.00 0.00 N ATOM 248 CZ ARG 1 18 4.501 -14.062 2.889 1.00 0.00 C ATOM 249 NH1 ARG 1 18 5.754 -13.588 2.938 1.00 0.00 N ATOM 250 NH2 ARG 1 18 4.013 -14.771 3.916 1.00 0.00 N ATOM 0 H ARG 1 18 2.948 -13.522 -2.528 1.00 0.00 H new ATOM 0 HA ARG 1 18 1.550 -11.002 -2.067 1.00 0.00 H new ATOM 0 HB2 ARG 1 18 4.447 -11.686 -1.458 1.00 0.00 H new ATOM 0 HB3 ARG 1 18 3.480 -10.403 -0.758 1.00 0.00 H new ATOM 0 HG2 ARG 1 18 2.418 -11.816 0.719 1.00 0.00 H new ATOM 0 HG3 ARG 1 18 2.313 -13.125 -0.441 1.00 0.00 H new ATOM 0 HD2 ARG 1 18 4.674 -13.717 -0.080 1.00 0.00 H new ATOM 0 HD3 ARG 1 18 4.918 -12.307 0.932 1.00 0.00 H new ATOM 0 HE ARG 1 18 2.787 -14.199 1.812 1.00 0.00 H new ATOM 0 HH11 ARG 1 18 6.125 -13.047 2.157 1.00 0.00 H new ATOM 0 HH12 ARG 1 18 6.336 -13.769 3.756 1.00 0.00 H new ATOM 0 HH21 ARG 1 18 3.059 -15.130 3.880 1.00 0.00 H new ATOM 0 HH22 ARG 1 18 4.595 -14.951 4.734 1.00 0.00 H new ATOM 264 N VAL 1 19 3.384 -9.473 -3.316 1.00 0.00 N ATOM 265 CA VAL 1 19 3.986 -8.655 -4.354 1.00 0.00 C ATOM 266 C VAL 1 19 5.424 -8.311 -3.956 1.00 0.00 C ATOM 267 O VAL 1 19 6.001 -7.354 -4.469 1.00 0.00 O ATOM 268 CB VAL 1 19 3.125 -7.417 -4.612 1.00 0.00 C ATOM 269 CG1 VAL 1 19 3.459 -6.789 -5.966 1.00 0.00 C ATOM 270 CG2 VAL 1 19 1.636 -7.757 -4.516 1.00 0.00 C ATOM 0 H VAL 1 19 3.189 -8.981 -2.444 1.00 0.00 H new ATOM 0 HA VAL 1 19 4.031 -9.204 -5.295 1.00 0.00 H new ATOM 0 HB VAL 1 19 3.352 -6.683 -3.839 1.00 0.00 H new ATOM 0 HG11 VAL 1 19 2.833 -5.911 -6.124 1.00 0.00 H new ATOM 0 HG12 VAL 1 19 4.508 -6.494 -5.981 1.00 0.00 H new ATOM 0 HG13 VAL 1 19 3.274 -7.514 -6.759 1.00 0.00 H new ATOM 0 HG21 VAL 1 19 1.045 -6.860 -4.703 1.00 0.00 H new ATOM 0 HG22 VAL 1 19 1.388 -8.517 -5.257 1.00 0.00 H new ATOM 0 HG23 VAL 1 19 1.413 -8.137 -3.519 1.00 0.00 H new ATOM 280 N ASP 1 20 5.959 -9.109 -3.044 1.00 0.00 N ATOM 281 CA ASP 1 20 7.316 -8.901 -2.572 1.00 0.00 C ATOM 282 C ASP 1 20 7.631 -7.404 -2.580 1.00 0.00 C ATOM 283 O ASP 1 20 8.160 -6.884 -3.562 1.00 0.00 O ATOM 284 CB ASP 1 20 8.329 -9.603 -3.478 1.00 0.00 C ATOM 285 CG ASP 1 20 9.722 -8.970 -3.504 1.00 0.00 C ATOM 286 OD1 ASP 1 20 10.253 -8.720 -2.400 1.00 0.00 O ATOM 287 OD2 ASP 1 20 10.223 -8.749 -4.627 1.00 0.00 O ATOM 0 H ASP 1 20 5.476 -9.901 -2.619 1.00 0.00 H new ATOM 0 HA ASP 1 20 7.389 -9.312 -1.565 1.00 0.00 H new ATOM 0 HB2 ASP 1 20 8.424 -10.640 -3.156 1.00 0.00 H new ATOM 0 HB3 ASP 1 20 7.935 -9.619 -4.494 1.00 0.00 H new ATOM 292 N CYS 1 21 7.292 -6.753 -1.477 1.00 0.00 N ATOM 293 CA CYS 1 21 7.533 -5.327 -1.346 1.00 0.00 C ATOM 294 C CYS 1 21 9.001 -5.054 -1.674 1.00 0.00 C ATOM 295 O CYS 1 21 9.333 -4.012 -2.237 1.00 0.00 O ATOM 296 CB CYS 1 21 7.153 -4.815 0.045 1.00 0.00 C ATOM 297 SG CYS 1 21 6.523 -3.097 0.085 1.00 0.00 S ATOM 0 H CYS 1 21 6.852 -7.187 -0.666 1.00 0.00 H new ATOM 0 HA CYS 1 21 6.900 -4.783 -2.047 1.00 0.00 H new ATOM 0 HB2 CYS 1 21 6.394 -5.475 0.465 1.00 0.00 H new ATOM 0 HB3 CYS 1 21 8.027 -4.882 0.693 1.00 0.00 H new ATOM 302 N GLY 1 22 9.843 -6.010 -1.306 1.00 0.00 N ATOM 303 CA GLY 1 22 11.270 -5.886 -1.553 1.00 0.00 C ATOM 304 C GLY 1 22 11.786 -4.516 -1.109 1.00 0.00 C ATOM 305 O GLY 1 22 12.237 -3.721 -1.932 1.00 0.00 O ATOM 0 H GLY 1 22 9.564 -6.873 -0.839 1.00 0.00 H new ATOM 0 HA2 GLY 1 22 11.805 -6.671 -1.018 1.00 0.00 H new ATOM 0 HA3 GLY 1 22 11.473 -6.028 -2.614 1.00 0.00 H new ATOM 309 N TYR 1 23 11.705 -4.282 0.193 1.00 0.00 N ATOM 310 CA TYR 1 23 12.159 -3.022 0.757 1.00 0.00 C ATOM 311 C TYR 1 23 13.620 -3.115 1.201 1.00 0.00 C ATOM 312 O TYR 1 23 14.044 -4.133 1.744 1.00 0.00 O ATOM 313 CB TYR 1 23 11.280 -2.768 1.984 1.00 0.00 C ATOM 314 CG TYR 1 23 10.369 -1.546 1.855 1.00 0.00 C ATOM 315 CD1 TYR 1 23 10.868 -0.284 2.103 1.00 0.00 C ATOM 316 CD2 TYR 1 23 9.047 -1.706 1.488 1.00 0.00 C ATOM 317 CE1 TYR 1 23 10.010 0.867 1.982 1.00 0.00 C ATOM 318 CE2 TYR 1 23 8.190 -0.555 1.367 1.00 0.00 C ATOM 319 CZ TYR 1 23 8.714 0.674 1.619 1.00 0.00 C ATOM 320 OH TYR 1 23 7.904 1.760 1.505 1.00 0.00 O ATOM 0 H TYR 1 23 11.332 -4.944 0.873 1.00 0.00 H new ATOM 0 HA TYR 1 23 12.087 -2.223 0.019 1.00 0.00 H new ATOM 0 HB2 TYR 1 23 10.665 -3.649 2.166 1.00 0.00 H new ATOM 0 HB3 TYR 1 23 11.920 -2.640 2.857 1.00 0.00 H new ATOM 0 HD1 TYR 1 23 11.902 -0.159 2.388 1.00 0.00 H new ATOM 0 HD2 TYR 1 23 8.656 -2.694 1.292 1.00 0.00 H new ATOM 0 HE1 TYR 1 23 10.388 1.860 2.175 1.00 0.00 H new ATOM 0 HE2 TYR 1 23 7.154 -0.666 1.082 1.00 0.00 H new ATOM 0 HH TYR 1 23 6.998 1.524 1.793 1.00 0.00 H new ATOM 330 N PRO 1 24 14.368 -2.008 0.947 1.00 0.00 N ATOM 331 CA PRO 1 24 15.773 -1.955 1.315 1.00 0.00 C ATOM 332 C PRO 1 24 15.938 -1.763 2.823 1.00 0.00 C ATOM 333 O PRO 1 24 17.058 -1.732 3.330 1.00 0.00 O ATOM 334 CB PRO 1 24 16.350 -0.807 0.503 1.00 0.00 C ATOM 335 CG PRO 1 24 15.160 0.033 0.066 1.00 0.00 C ATOM 336 CD PRO 1 24 13.900 -0.783 0.305 1.00 0.00 C ATOM 0 HA PRO 1 24 16.300 -2.884 1.096 1.00 0.00 H new ATOM 0 HB2 PRO 1 24 17.046 -0.218 1.100 1.00 0.00 H new ATOM 0 HB3 PRO 1 24 16.904 -1.178 -0.359 1.00 0.00 H new ATOM 0 HG2 PRO 1 24 15.123 0.965 0.629 1.00 0.00 H new ATOM 0 HG3 PRO 1 24 15.248 0.300 -0.987 1.00 0.00 H new ATOM 0 HD2 PRO 1 24 13.196 -0.247 0.941 1.00 0.00 H new ATOM 0 HD3 PRO 1 24 13.384 -0.998 -0.631 1.00 0.00 H new ATOM 344 N HIS 1 25 14.806 -1.639 3.499 1.00 0.00 N ATOM 345 CA HIS 1 25 14.810 -1.451 4.939 1.00 0.00 C ATOM 346 C HIS 1 25 13.843 -2.441 5.590 1.00 0.00 C ATOM 347 O HIS 1 25 13.415 -2.241 6.726 1.00 0.00 O ATOM 348 CB HIS 1 25 14.501 0.004 5.299 1.00 0.00 C ATOM 349 CG HIS 1 25 15.723 0.830 5.623 1.00 0.00 C ATOM 350 ND1 HIS 1 25 16.549 0.556 6.700 1.00 0.00 N ATOM 351 CD2 HIS 1 25 16.250 1.924 5.002 1.00 0.00 C ATOM 352 CE1 HIS 1 25 17.524 1.452 6.716 1.00 0.00 C ATOM 353 NE2 HIS 1 25 17.337 2.299 5.664 1.00 0.00 N ATOM 0 H HIS 1 25 13.879 -1.665 3.075 1.00 0.00 H new ATOM 0 HA HIS 1 25 15.805 -1.658 5.332 1.00 0.00 H new ATOM 0 HB2 HIS 1 25 13.971 0.469 4.467 1.00 0.00 H new ATOM 0 HB3 HIS 1 25 13.827 0.020 6.155 1.00 0.00 H new ATOM 0 HD2 HIS 1 25 15.850 2.404 4.121 1.00 0.00 H new ATOM 0 HE1 HIS 1 25 18.327 1.503 7.436 1.00 0.00 H new ATOM 0 HE2 HIS 1 25 17.934 3.091 5.425 1.00 0.00 H new ATOM 362 N VAL 1 26 13.525 -3.487 4.842 1.00 0.00 N ATOM 363 CA VAL 1 26 12.616 -4.508 5.331 1.00 0.00 C ATOM 364 C VAL 1 26 12.947 -4.825 6.791 1.00 0.00 C ATOM 365 O VAL 1 26 14.100 -5.094 7.125 1.00 0.00 O ATOM 366 CB VAL 1 26 12.675 -5.740 4.425 1.00 0.00 C ATOM 367 CG1 VAL 1 26 14.120 -6.072 4.046 1.00 0.00 C ATOM 368 CG2 VAL 1 26 11.990 -6.940 5.084 1.00 0.00 C ATOM 0 H VAL 1 26 13.881 -3.649 3.900 1.00 0.00 H new ATOM 0 HA VAL 1 26 11.588 -4.147 5.301 1.00 0.00 H new ATOM 0 HB VAL 1 26 12.133 -5.508 3.508 1.00 0.00 H new ATOM 0 HG11 VAL 1 26 14.134 -6.951 3.402 1.00 0.00 H new ATOM 0 HG12 VAL 1 26 14.561 -5.227 3.517 1.00 0.00 H new ATOM 0 HG13 VAL 1 26 14.696 -6.274 4.949 1.00 0.00 H new ATOM 0 HG21 VAL 1 26 12.046 -7.802 4.419 1.00 0.00 H new ATOM 0 HG22 VAL 1 26 12.490 -7.174 6.024 1.00 0.00 H new ATOM 0 HG23 VAL 1 26 10.945 -6.700 5.279 1.00 0.00 H new ATOM 378 N THR 1 27 11.916 -4.780 7.622 1.00 0.00 N ATOM 379 CA THR 1 27 12.083 -5.058 9.038 1.00 0.00 C ATOM 380 C THR 1 27 10.729 -5.346 9.689 1.00 0.00 C ATOM 381 O THR 1 27 9.699 -4.858 9.229 1.00 0.00 O ATOM 382 CB THR 1 27 12.822 -3.875 9.668 1.00 0.00 C ATOM 383 OG1 THR 1 27 14.084 -4.416 10.049 1.00 0.00 O ATOM 384 CG2 THR 1 27 12.193 -3.430 10.991 1.00 0.00 C ATOM 0 H THR 1 27 10.962 -4.555 7.341 1.00 0.00 H new ATOM 0 HA THR 1 27 12.681 -5.955 9.197 1.00 0.00 H new ATOM 0 HB THR 1 27 12.830 -3.038 8.969 1.00 0.00 H new ATOM 0 HG1 THR 1 27 14.512 -4.828 9.270 1.00 0.00 H new ATOM 0 HG21 THR 1 27 12.755 -2.588 11.396 1.00 0.00 H new ATOM 0 HG22 THR 1 27 11.160 -3.128 10.819 1.00 0.00 H new ATOM 0 HG23 THR 1 27 12.216 -4.257 11.701 1.00 0.00 H new ATOM 392 N PRO 1 28 10.777 -6.160 10.778 1.00 0.00 N ATOM 393 CA PRO 1 28 9.567 -6.518 11.497 1.00 0.00 C ATOM 394 C PRO 1 28 9.068 -5.349 12.349 1.00 0.00 C ATOM 395 O PRO 1 28 8.820 -5.509 13.543 1.00 0.00 O ATOM 396 CB PRO 1 28 9.946 -7.736 12.324 1.00 0.00 C ATOM 397 CG PRO 1 28 11.465 -7.734 12.396 1.00 0.00 C ATOM 398 CD PRO 1 28 11.979 -6.757 11.351 1.00 0.00 C ATOM 0 HA PRO 1 28 8.735 -6.748 10.831 1.00 0.00 H new ATOM 0 HB2 PRO 1 28 9.508 -7.683 13.321 1.00 0.00 H new ATOM 0 HB3 PRO 1 28 9.578 -8.652 11.862 1.00 0.00 H new ATOM 0 HG2 PRO 1 28 11.800 -7.440 13.391 1.00 0.00 H new ATOM 0 HG3 PRO 1 28 11.857 -8.734 12.210 1.00 0.00 H new ATOM 0 HD2 PRO 1 28 12.622 -6.000 11.799 1.00 0.00 H new ATOM 0 HD3 PRO 1 28 12.570 -7.266 10.590 1.00 0.00 H new ATOM 406 N LYS 1 29 8.934 -4.202 11.701 1.00 0.00 N ATOM 407 CA LYS 1 29 8.469 -3.007 12.384 1.00 0.00 C ATOM 408 C LYS 1 29 8.492 -1.826 11.411 1.00 0.00 C ATOM 409 O LYS 1 29 7.796 -0.833 11.617 1.00 0.00 O ATOM 410 CB LYS 1 29 9.280 -2.768 13.660 1.00 0.00 C ATOM 411 CG LYS 1 29 8.413 -2.139 14.752 1.00 0.00 C ATOM 412 CD LYS 1 29 8.414 -3.001 16.016 1.00 0.00 C ATOM 413 CE LYS 1 29 8.118 -2.155 17.256 1.00 0.00 C ATOM 414 NZ LYS 1 29 8.899 -2.645 18.415 1.00 0.00 N ATOM 0 H LYS 1 29 9.139 -4.074 10.710 1.00 0.00 H new ATOM 0 HA LYS 1 29 7.436 -3.133 12.709 1.00 0.00 H new ATOM 0 HB2 LYS 1 29 9.691 -3.713 14.016 1.00 0.00 H new ATOM 0 HB3 LYS 1 29 10.125 -2.115 13.441 1.00 0.00 H new ATOM 0 HG2 LYS 1 29 8.785 -1.142 14.987 1.00 0.00 H new ATOM 0 HG3 LYS 1 29 7.392 -2.021 14.388 1.00 0.00 H new ATOM 0 HD2 LYS 1 29 7.668 -3.790 15.923 1.00 0.00 H new ATOM 0 HD3 LYS 1 29 9.382 -3.489 16.127 1.00 0.00 H new ATOM 0 HE2 LYS 1 29 8.364 -1.112 17.059 1.00 0.00 H new ATOM 0 HE3 LYS 1 29 7.053 -2.194 17.485 1.00 0.00 H new ATOM 0 HZ1 LYS 1 29 8.687 -2.060 19.249 1.00 0.00 H new ATOM 0 HZ2 LYS 1 29 8.645 -3.634 18.612 1.00 0.00 H new ATOM 0 HZ3 LYS 1 29 9.915 -2.585 18.200 1.00 0.00 H new ATOM 428 N GLU 1 30 9.300 -1.974 10.371 1.00 0.00 N ATOM 429 CA GLU 1 30 9.424 -0.933 9.365 1.00 0.00 C ATOM 430 C GLU 1 30 8.494 -1.221 8.186 1.00 0.00 C ATOM 431 O GLU 1 30 7.826 -0.319 7.682 1.00 0.00 O ATOM 432 CB GLU 1 30 10.874 -0.790 8.898 1.00 0.00 C ATOM 433 CG GLU 1 30 11.514 0.473 9.476 1.00 0.00 C ATOM 434 CD GLU 1 30 13.038 0.341 9.529 1.00 0.00 C ATOM 435 OE1 GLU 1 30 13.499 -0.670 10.102 1.00 0.00 O ATOM 436 OE2 GLU 1 30 13.706 1.253 8.996 1.00 0.00 O ATOM 0 H GLU 1 30 9.875 -2.799 10.204 1.00 0.00 H new ATOM 0 HA GLU 1 30 9.127 0.015 9.814 1.00 0.00 H new ATOM 0 HB2 GLU 1 30 11.447 -1.665 9.205 1.00 0.00 H new ATOM 0 HB3 GLU 1 30 10.907 -0.753 7.809 1.00 0.00 H new ATOM 0 HG2 GLU 1 30 11.241 1.335 8.867 1.00 0.00 H new ATOM 0 HG3 GLU 1 30 11.126 0.655 10.478 1.00 0.00 H new ATOM 443 N CYS 1 31 8.479 -2.482 7.779 1.00 0.00 N ATOM 444 CA CYS 1 31 7.642 -2.901 6.668 1.00 0.00 C ATOM 445 C CYS 1 31 6.195 -2.523 6.988 1.00 0.00 C ATOM 446 O CYS 1 31 5.517 -1.898 6.173 1.00 0.00 O ATOM 447 CB CYS 1 31 7.791 -4.396 6.380 1.00 0.00 C ATOM 448 SG CYS 1 31 9.317 -4.855 5.480 1.00 0.00 S ATOM 0 H CYS 1 31 9.034 -3.228 8.199 1.00 0.00 H new ATOM 0 HA CYS 1 31 7.957 -2.390 5.759 1.00 0.00 H new ATOM 0 HB2 CYS 1 31 7.766 -4.938 7.325 1.00 0.00 H new ATOM 0 HB3 CYS 1 31 6.930 -4.728 5.800 1.00 0.00 H new ATOM 453 N ASN 1 32 5.763 -2.918 8.178 1.00 0.00 N ATOM 454 CA ASN 1 32 4.408 -2.628 8.615 1.00 0.00 C ATOM 455 C ASN 1 32 4.266 -1.125 8.859 1.00 0.00 C ATOM 456 O ASN 1 32 3.180 -0.644 9.177 1.00 0.00 O ATOM 457 CB ASN 1 32 4.086 -3.352 9.924 1.00 0.00 C ATOM 458 CG ASN 1 32 3.377 -4.681 9.655 1.00 0.00 C ATOM 459 OD1 ASN 1 32 2.273 -4.929 10.112 1.00 0.00 O ATOM 460 ND2 ASN 1 32 4.070 -5.520 8.890 1.00 0.00 N ATOM 0 H ASN 1 32 6.327 -3.436 8.852 1.00 0.00 H new ATOM 0 HA ASN 1 32 3.723 -2.966 7.837 1.00 0.00 H new ATOM 0 HB2 ASN 1 32 5.006 -3.532 10.480 1.00 0.00 H new ATOM 0 HB3 ASN 1 32 3.455 -2.719 10.548 1.00 0.00 H new ATOM 0 HD21 ASN 1 32 3.682 -6.433 8.653 1.00 0.00 H new ATOM 0 HD22 ASN 1 32 4.989 -5.250 8.540 1.00 0.00 H new ATOM 467 N ASN 1 33 5.379 -0.424 8.702 1.00 0.00 N ATOM 468 CA ASN 1 33 5.393 1.015 8.902 1.00 0.00 C ATOM 469 C ASN 1 33 5.438 1.714 7.541 1.00 0.00 C ATOM 470 O ASN 1 33 4.969 2.843 7.403 1.00 0.00 O ATOM 471 CB ASN 1 33 6.625 1.450 9.697 1.00 0.00 C ATOM 472 CG ASN 1 33 6.377 2.782 10.408 1.00 0.00 C ATOM 473 OD1 ASN 1 33 5.264 3.274 10.488 1.00 0.00 O ATOM 474 ND2 ASN 1 33 7.474 3.335 10.918 1.00 0.00 N ATOM 0 H ASN 1 33 6.278 -0.826 8.438 1.00 0.00 H new ATOM 0 HA ASN 1 33 4.494 1.287 9.455 1.00 0.00 H new ATOM 0 HB2 ASN 1 33 6.878 0.684 10.430 1.00 0.00 H new ATOM 0 HB3 ASN 1 33 7.480 1.545 9.027 1.00 0.00 H new ATOM 0 HD21 ASN 1 33 7.414 4.225 11.412 1.00 0.00 H new ATOM 0 HD22 ASN 1 33 8.375 2.869 10.815 1.00 0.00 H new ATOM 481 N ARG 1 34 6.006 1.013 6.571 1.00 0.00 N ATOM 482 CA ARG 1 34 6.118 1.553 5.226 1.00 0.00 C ATOM 483 C ARG 1 34 4.828 1.299 4.443 1.00 0.00 C ATOM 484 O ARG 1 34 4.505 2.040 3.516 1.00 0.00 O ATOM 485 CB ARG 1 34 7.293 0.922 4.476 1.00 0.00 C ATOM 486 CG ARG 1 34 8.498 0.738 5.401 1.00 0.00 C ATOM 487 CD ARG 1 34 9.777 1.263 4.746 1.00 0.00 C ATOM 488 NE ARG 1 34 10.640 1.904 5.765 1.00 0.00 N ATOM 489 CZ ARG 1 34 10.295 2.994 6.464 1.00 0.00 C ATOM 490 NH1 ARG 1 34 9.104 3.572 6.259 1.00 0.00 N ATOM 491 NH2 ARG 1 34 11.142 3.505 7.367 1.00 0.00 N ATOM 0 H ARG 1 34 6.393 0.077 6.689 1.00 0.00 H new ATOM 0 HA ARG 1 34 6.290 2.626 5.313 1.00 0.00 H new ATOM 0 HB2 ARG 1 34 6.993 -0.043 4.068 1.00 0.00 H new ATOM 0 HB3 ARG 1 34 7.571 1.553 3.632 1.00 0.00 H new ATOM 0 HG2 ARG 1 34 8.324 1.264 6.340 1.00 0.00 H new ATOM 0 HG3 ARG 1 34 8.617 -0.318 5.644 1.00 0.00 H new ATOM 0 HD2 ARG 1 34 10.313 0.444 4.267 1.00 0.00 H new ATOM 0 HD3 ARG 1 34 9.527 1.981 3.965 1.00 0.00 H new ATOM 0 HE ARG 1 34 11.554 1.490 5.946 1.00 0.00 H new ATOM 0 HH11 ARG 1 34 8.460 3.182 5.571 1.00 0.00 H new ATOM 0 HH12 ARG 1 34 8.841 4.402 6.791 1.00 0.00 H new ATOM 0 HH21 ARG 1 34 12.049 3.065 7.522 1.00 0.00 H new ATOM 0 HH22 ARG 1 34 10.880 4.335 7.899 1.00 0.00 H new ATOM 505 N GLY 1 35 4.125 0.251 4.845 1.00 0.00 N ATOM 506 CA GLY 1 35 2.878 -0.110 4.193 1.00 0.00 C ATOM 507 C GLY 1 35 2.938 -1.538 3.645 1.00 0.00 C ATOM 508 O GLY 1 35 2.204 -1.882 2.720 1.00 0.00 O ATOM 0 H GLY 1 35 4.396 -0.361 5.615 1.00 0.00 H new ATOM 0 HA2 GLY 1 35 2.055 -0.023 4.902 1.00 0.00 H new ATOM 0 HA3 GLY 1 35 2.674 0.587 3.380 1.00 0.00 H new ATOM 512 N CYS 1 36 3.819 -2.328 4.239 1.00 0.00 N ATOM 513 CA CYS 1 36 3.984 -3.711 3.823 1.00 0.00 C ATOM 514 C CYS 1 36 3.699 -4.613 5.025 1.00 0.00 C ATOM 515 O CYS 1 36 3.348 -4.128 6.100 1.00 0.00 O ATOM 516 CB CYS 1 36 5.376 -3.963 3.237 1.00 0.00 C ATOM 517 SG CYS 1 36 5.874 -2.800 1.915 1.00 0.00 S ATOM 0 H CYS 1 36 4.427 -2.038 5.005 1.00 0.00 H new ATOM 0 HA CYS 1 36 3.278 -3.939 3.024 1.00 0.00 H new ATOM 0 HB2 CYS 1 36 6.109 -3.911 4.042 1.00 0.00 H new ATOM 0 HB3 CYS 1 36 5.410 -4.978 2.841 1.00 0.00 H new ATOM 522 N CYS 1 37 3.862 -5.909 4.804 1.00 0.00 N ATOM 523 CA CYS 1 37 3.627 -6.883 5.856 1.00 0.00 C ATOM 524 C CYS 1 37 4.870 -7.765 5.981 1.00 0.00 C ATOM 525 O CYS 1 37 5.327 -8.342 4.996 1.00 0.00 O ATOM 526 CB CYS 1 37 2.365 -7.708 5.592 1.00 0.00 C ATOM 527 SG CYS 1 37 1.668 -8.538 7.066 1.00 0.00 S ATOM 0 H CYS 1 37 4.154 -6.307 3.912 1.00 0.00 H new ATOM 0 HA CYS 1 37 3.453 -6.367 6.800 1.00 0.00 H new ATOM 0 HB2 CYS 1 37 1.603 -7.055 5.166 1.00 0.00 H new ATOM 0 HB3 CYS 1 37 2.593 -8.464 4.841 1.00 0.00 H new ATOM 532 N PHE 1 38 5.381 -7.842 7.201 1.00 0.00 N ATOM 533 CA PHE 1 38 6.564 -8.645 7.468 1.00 0.00 C ATOM 534 C PHE 1 38 6.181 -10.080 7.834 1.00 0.00 C ATOM 535 O PHE 1 38 5.426 -10.302 8.780 1.00 0.00 O ATOM 536 CB PHE 1 38 7.283 -8.001 8.655 1.00 0.00 C ATOM 537 CG PHE 1 38 8.665 -8.592 8.940 1.00 0.00 C ATOM 538 CD1 PHE 1 38 9.755 -8.122 8.275 1.00 0.00 C ATOM 539 CD2 PHE 1 38 8.804 -9.587 9.856 1.00 0.00 C ATOM 540 CE1 PHE 1 38 11.038 -8.669 8.540 1.00 0.00 C ATOM 541 CE2 PHE 1 38 10.087 -10.134 10.120 1.00 0.00 C ATOM 542 CZ PHE 1 38 11.177 -9.664 9.457 1.00 0.00 C ATOM 0 H PHE 1 38 4.998 -7.362 8.016 1.00 0.00 H new ATOM 0 HA PHE 1 38 7.197 -8.682 6.581 1.00 0.00 H new ATOM 0 HB2 PHE 1 38 7.388 -6.932 8.467 1.00 0.00 H new ATOM 0 HB3 PHE 1 38 6.662 -8.109 9.545 1.00 0.00 H new ATOM 0 HD1 PHE 1 38 9.644 -7.333 7.546 1.00 0.00 H new ATOM 0 HD2 PHE 1 38 7.939 -9.961 10.383 1.00 0.00 H new ATOM 0 HE1 PHE 1 38 11.904 -8.295 8.013 1.00 0.00 H new ATOM 0 HE2 PHE 1 38 10.197 -10.924 10.848 1.00 0.00 H new ATOM 0 HZ PHE 1 38 12.153 -10.081 9.658 1.00 0.00 H new ATOM 552 N ASP 1 39 6.718 -11.016 7.066 1.00 0.00 N ATOM 553 CA ASP 1 39 6.442 -12.424 7.299 1.00 0.00 C ATOM 554 C ASP 1 39 7.502 -12.997 8.242 1.00 0.00 C ATOM 555 O ASP 1 39 7.274 -13.103 9.446 1.00 0.00 O ATOM 556 CB ASP 1 39 6.492 -13.218 5.992 1.00 0.00 C ATOM 557 CG ASP 1 39 6.378 -14.736 6.153 1.00 0.00 C ATOM 558 OD1 ASP 1 39 5.288 -15.181 6.571 1.00 0.00 O ATOM 559 OD2 ASP 1 39 7.384 -15.415 5.854 1.00 0.00 O ATOM 0 H ASP 1 39 7.343 -10.828 6.282 1.00 0.00 H new ATOM 0 HA ASP 1 39 5.445 -12.506 7.733 1.00 0.00 H new ATOM 0 HB2 ASP 1 39 5.685 -12.875 5.345 1.00 0.00 H new ATOM 0 HB3 ASP 1 39 7.428 -12.991 5.482 1.00 0.00 H new ATOM 564 N SER 1 40 8.637 -13.353 7.659 1.00 0.00 N ATOM 565 CA SER 1 40 9.732 -13.913 8.433 1.00 0.00 C ATOM 566 C SER 1 40 9.586 -15.434 8.520 1.00 0.00 C ATOM 567 O SER 1 40 10.537 -16.132 8.868 1.00 0.00 O ATOM 568 CB SER 1 40 9.783 -13.304 9.836 1.00 0.00 C ATOM 569 OG SER 1 40 9.195 -14.160 10.811 1.00 0.00 O ATOM 0 H SER 1 40 8.822 -13.265 6.660 1.00 0.00 H new ATOM 0 HA SER 1 40 10.667 -13.672 7.927 1.00 0.00 H new ATOM 0 HB2 SER 1 40 10.820 -13.104 10.107 1.00 0.00 H new ATOM 0 HB3 SER 1 40 9.264 -12.346 9.834 1.00 0.00 H new ATOM 0 HG SER 1 40 8.219 -14.134 10.723 1.00 0.00 H new ATOM 575 N ARG 1 41 8.389 -15.901 8.197 1.00 0.00 N ATOM 576 CA ARG 1 41 8.108 -17.326 8.234 1.00 0.00 C ATOM 577 C ARG 1 41 9.061 -18.081 7.305 1.00 0.00 C ATOM 578 O ARG 1 41 9.822 -18.937 7.753 1.00 0.00 O ATOM 579 CB ARG 1 41 6.665 -17.613 7.815 1.00 0.00 C ATOM 580 CG ARG 1 41 5.678 -17.130 8.879 1.00 0.00 C ATOM 581 CD ARG 1 41 4.684 -18.234 9.246 1.00 0.00 C ATOM 582 NE ARG 1 41 4.942 -18.710 10.624 1.00 0.00 N ATOM 583 CZ ARG 1 41 4.109 -19.500 11.313 1.00 0.00 C ATOM 584 NH1 ARG 1 41 2.960 -19.909 10.759 1.00 0.00 N ATOM 585 NH2 ARG 1 41 4.426 -19.883 12.558 1.00 0.00 N ATOM 0 H ARG 1 41 7.603 -15.318 7.909 1.00 0.00 H new ATOM 0 HA ARG 1 41 8.252 -17.665 9.260 1.00 0.00 H new ATOM 0 HB2 ARG 1 41 6.453 -17.119 6.867 1.00 0.00 H new ATOM 0 HB3 ARG 1 41 6.536 -18.683 7.653 1.00 0.00 H new ATOM 0 HG2 ARG 1 41 6.223 -16.815 9.769 1.00 0.00 H new ATOM 0 HG3 ARG 1 41 5.138 -16.258 8.510 1.00 0.00 H new ATOM 0 HD2 ARG 1 41 3.664 -17.857 9.168 1.00 0.00 H new ATOM 0 HD3 ARG 1 41 4.773 -19.063 8.544 1.00 0.00 H new ATOM 0 HE ARG 1 41 5.808 -18.418 11.077 1.00 0.00 H new ATOM 0 HH11 ARG 1 41 2.719 -19.619 9.811 1.00 0.00 H new ATOM 0 HH12 ARG 1 41 2.326 -20.511 11.285 1.00 0.00 H new ATOM 0 HH21 ARG 1 41 5.301 -19.573 12.980 1.00 0.00 H new ATOM 0 HH22 ARG 1 41 3.792 -20.485 13.083 1.00 0.00 H new ATOM 599 N ILE 1 42 8.990 -17.734 6.028 1.00 0.00 N ATOM 600 CA ILE 1 42 9.838 -18.367 5.033 1.00 0.00 C ATOM 601 C ILE 1 42 10.871 -17.356 4.531 1.00 0.00 C ATOM 602 O ILE 1 42 10.515 -16.262 4.098 1.00 0.00 O ATOM 603 CB ILE 1 42 8.988 -18.982 3.918 1.00 0.00 C ATOM 604 CG1 ILE 1 42 7.535 -19.150 4.367 1.00 0.00 C ATOM 605 CG2 ILE 1 42 9.593 -20.300 3.431 1.00 0.00 C ATOM 606 CD1 ILE 1 42 6.725 -19.923 3.324 1.00 0.00 C ATOM 0 H ILE 1 42 8.358 -17.023 5.660 1.00 0.00 H new ATOM 0 HA ILE 1 42 10.391 -19.195 5.476 1.00 0.00 H new ATOM 0 HB ILE 1 42 8.987 -18.296 3.071 1.00 0.00 H new ATOM 0 HG12 ILE 1 42 7.504 -19.677 5.321 1.00 0.00 H new ATOM 0 HG13 ILE 1 42 7.085 -18.171 4.529 1.00 0.00 H new ATOM 0 HG21 ILE 1 42 8.970 -20.716 2.639 1.00 0.00 H new ATOM 0 HG22 ILE 1 42 10.597 -20.119 3.046 1.00 0.00 H new ATOM 0 HG23 ILE 1 42 9.644 -21.005 4.260 1.00 0.00 H new ATOM 0 HD11 ILE 1 42 5.696 -20.029 3.668 1.00 0.00 H new ATOM 0 HD12 ILE 1 42 6.738 -19.381 2.378 1.00 0.00 H new ATOM 0 HD13 ILE 1 42 7.163 -20.911 3.182 1.00 0.00 H new ATOM 618 N PRO 1 43 12.164 -17.770 4.608 1.00 0.00 N ATOM 619 CA PRO 1 43 13.251 -16.914 4.167 1.00 0.00 C ATOM 620 C PRO 1 43 13.323 -16.861 2.640 1.00 0.00 C ATOM 621 O PRO 1 43 14.013 -16.012 2.077 1.00 0.00 O ATOM 622 CB PRO 1 43 14.500 -17.505 4.800 1.00 0.00 C ATOM 623 CG PRO 1 43 14.136 -18.929 5.188 1.00 0.00 C ATOM 624 CD PRO 1 43 12.624 -19.060 5.115 1.00 0.00 C ATOM 0 HA PRO 1 43 13.119 -15.876 4.473 1.00 0.00 H new ATOM 0 HB2 PRO 1 43 15.336 -17.492 4.101 1.00 0.00 H new ATOM 0 HB3 PRO 1 43 14.806 -16.928 5.673 1.00 0.00 H new ATOM 0 HG2 PRO 1 43 14.614 -19.642 4.516 1.00 0.00 H new ATOM 0 HG3 PRO 1 43 14.490 -19.153 6.194 1.00 0.00 H new ATOM 0 HD2 PRO 1 43 12.329 -19.874 4.453 1.00 0.00 H new ATOM 0 HD3 PRO 1 43 12.197 -19.275 6.095 1.00 0.00 H new ATOM 632 N GLY 1 44 12.601 -17.778 2.013 1.00 0.00 N ATOM 633 CA GLY 1 44 12.575 -17.846 0.562 1.00 0.00 C ATOM 634 C GLY 1 44 11.437 -16.997 -0.006 1.00 0.00 C ATOM 635 O GLY 1 44 11.351 -16.797 -1.217 1.00 0.00 O ATOM 0 H GLY 1 44 12.030 -18.480 2.483 1.00 0.00 H new ATOM 0 HA2 GLY 1 44 13.527 -17.499 0.161 1.00 0.00 H new ATOM 0 HA3 GLY 1 44 12.454 -18.882 0.245 1.00 0.00 H new ATOM 639 N VAL 1 45 10.590 -16.519 0.895 1.00 0.00 N ATOM 640 CA VAL 1 45 9.460 -15.695 0.499 1.00 0.00 C ATOM 641 C VAL 1 45 9.730 -14.243 0.898 1.00 0.00 C ATOM 642 O VAL 1 45 10.678 -13.962 1.630 1.00 0.00 O ATOM 643 CB VAL 1 45 8.170 -16.252 1.102 1.00 0.00 C ATOM 644 CG1 VAL 1 45 7.648 -15.342 2.215 1.00 0.00 C ATOM 645 CG2 VAL 1 45 7.106 -16.463 0.022 1.00 0.00 C ATOM 0 H VAL 1 45 10.664 -16.687 1.898 1.00 0.00 H new ATOM 0 HA VAL 1 45 9.331 -15.716 -0.583 1.00 0.00 H new ATOM 0 HB VAL 1 45 8.398 -17.223 1.542 1.00 0.00 H new ATOM 0 HG11 VAL 1 45 6.730 -15.761 2.627 1.00 0.00 H new ATOM 0 HG12 VAL 1 45 8.397 -15.265 3.003 1.00 0.00 H new ATOM 0 HG13 VAL 1 45 7.445 -14.351 1.809 1.00 0.00 H new ATOM 0 HG21 VAL 1 45 6.199 -16.860 0.478 1.00 0.00 H new ATOM 0 HG22 VAL 1 45 6.883 -15.511 -0.460 1.00 0.00 H new ATOM 0 HG23 VAL 1 45 7.477 -17.169 -0.721 1.00 0.00 H new ATOM 655 N PRO 1 46 8.855 -13.335 0.388 1.00 0.00 N ATOM 656 CA PRO 1 46 8.989 -11.919 0.684 1.00 0.00 C ATOM 657 C PRO 1 46 8.529 -11.611 2.111 1.00 0.00 C ATOM 658 O PRO 1 46 7.346 -11.733 2.425 1.00 0.00 O ATOM 659 CB PRO 1 46 8.154 -11.216 -0.374 1.00 0.00 C ATOM 660 CG PRO 1 46 7.215 -12.272 -0.935 1.00 0.00 C ATOM 661 CD PRO 1 46 7.720 -13.632 -0.481 1.00 0.00 C ATOM 0 HA PRO 1 46 10.024 -11.578 0.648 1.00 0.00 H new ATOM 0 HB2 PRO 1 46 7.595 -10.386 0.058 1.00 0.00 H new ATOM 0 HB3 PRO 1 46 8.787 -10.800 -1.158 1.00 0.00 H new ATOM 0 HG2 PRO 1 46 6.198 -12.105 -0.581 1.00 0.00 H new ATOM 0 HG3 PRO 1 46 7.187 -12.219 -2.023 1.00 0.00 H new ATOM 0 HD2 PRO 1 46 6.946 -14.184 0.053 1.00 0.00 H new ATOM 0 HD3 PRO 1 46 8.021 -14.246 -1.330 1.00 0.00 H new ATOM 669 N TRP 1 47 9.488 -11.219 2.935 1.00 0.00 N ATOM 670 CA TRP 1 47 9.197 -10.892 4.321 1.00 0.00 C ATOM 671 C TRP 1 47 8.773 -9.423 4.382 1.00 0.00 C ATOM 672 O TRP 1 47 8.976 -8.757 5.396 1.00 0.00 O ATOM 673 CB TRP 1 47 10.393 -11.208 5.222 1.00 0.00 C ATOM 674 CG TRP 1 47 11.512 -11.982 4.522 1.00 0.00 C ATOM 675 CD1 TRP 1 47 11.519 -13.270 4.155 1.00 0.00 C ATOM 676 CD2 TRP 1 47 12.794 -11.459 4.117 1.00 0.00 C ATOM 677 NE1 TRP 1 47 12.708 -13.616 3.546 1.00 0.00 N ATOM 678 CE2 TRP 1 47 13.509 -12.479 3.522 1.00 0.00 C ATOM 679 CE3 TRP 1 47 13.334 -10.168 4.249 1.00 0.00 C ATOM 680 CZ2 TRP 1 47 14.802 -12.314 3.012 1.00 0.00 C ATOM 681 CZ3 TRP 1 47 14.628 -10.019 3.735 1.00 0.00 C ATOM 682 CH2 TRP 1 47 15.359 -11.036 3.133 1.00 0.00 C ATOM 0 H TRP 1 47 10.468 -11.120 2.670 1.00 0.00 H new ATOM 0 HA TRP 1 47 8.379 -11.506 4.698 1.00 0.00 H new ATOM 0 HB2 TRP 1 47 10.799 -10.274 5.610 1.00 0.00 H new ATOM 0 HB3 TRP 1 47 10.047 -11.786 6.079 1.00 0.00 H new ATOM 0 HD1 TRP 1 47 10.697 -13.952 4.316 1.00 0.00 H new ATOM 0 HE1 TRP 1 47 12.954 -14.536 3.181 1.00 0.00 H new ATOM 0 HE3 TRP 1 47 12.793 -9.355 4.711 1.00 0.00 H new ATOM 0 HZ2 TRP 1 47 15.340 -13.129 2.550 1.00 0.00 H new ATOM 0 HZ3 TRP 1 47 15.090 -9.046 3.812 1.00 0.00 H new ATOM 0 HH2 TRP 1 47 16.353 -10.841 2.760 1.00 0.00 H new ATOM 693 N CYS 1 48 8.196 -8.961 3.283 1.00 0.00 N ATOM 694 CA CYS 1 48 7.744 -7.582 3.199 1.00 0.00 C ATOM 695 C CYS 1 48 6.905 -7.429 1.929 1.00 0.00 C ATOM 696 O CYS 1 48 7.449 -7.275 0.836 1.00 0.00 O ATOM 697 CB CYS 1 48 8.916 -6.599 3.231 1.00 0.00 C ATOM 698 SG CYS 1 48 8.450 -4.860 3.562 1.00 0.00 S ATOM 0 H CYS 1 48 8.031 -9.516 2.443 1.00 0.00 H new ATOM 0 HA CYS 1 48 7.132 -7.343 4.069 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 9.623 -6.923 3.995 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 9.437 -6.645 2.275 1.00 0.00 H new ATOM 703 N PHE 1 49 5.594 -7.476 2.114 1.00 0.00 N ATOM 704 CA PHE 1 49 4.675 -7.344 0.997 1.00 0.00 C ATOM 705 C PHE 1 49 3.491 -6.445 1.363 1.00 0.00 C ATOM 706 O PHE 1 49 3.502 -5.792 2.405 1.00 0.00 O ATOM 707 CB PHE 1 49 4.155 -8.747 0.677 1.00 0.00 C ATOM 708 CG PHE 1 49 4.102 -9.681 1.887 1.00 0.00 C ATOM 709 CD1 PHE 1 49 5.249 -10.037 2.523 1.00 0.00 C ATOM 710 CD2 PHE 1 49 2.905 -10.157 2.326 1.00 0.00 C ATOM 711 CE1 PHE 1 49 5.200 -10.904 3.646 1.00 0.00 C ATOM 712 CE2 PHE 1 49 2.855 -11.025 3.449 1.00 0.00 C ATOM 713 CZ PHE 1 49 4.004 -11.380 4.085 1.00 0.00 C ATOM 0 H PHE 1 49 5.146 -7.604 3.022 1.00 0.00 H new ATOM 0 HA PHE 1 49 5.187 -6.896 0.146 1.00 0.00 H new ATOM 0 HB2 PHE 1 49 3.155 -8.664 0.250 1.00 0.00 H new ATOM 0 HB3 PHE 1 49 4.791 -9.194 -0.087 1.00 0.00 H new ATOM 0 HD1 PHE 1 49 6.199 -9.660 2.174 1.00 0.00 H new ATOM 0 HD2 PHE 1 49 1.993 -9.875 1.821 1.00 0.00 H new ATOM 0 HE1 PHE 1 49 6.112 -11.185 4.151 1.00 0.00 H new ATOM 0 HE2 PHE 1 49 1.905 -11.403 3.798 1.00 0.00 H new ATOM 0 HZ PHE 1 49 3.966 -12.040 4.939 1.00 0.00 H new ATOM 723 N LYS 1 50 2.498 -6.444 0.486 1.00 0.00 N ATOM 724 CA LYS 1 50 1.309 -5.637 0.705 1.00 0.00 C ATOM 725 C LYS 1 50 0.078 -6.545 0.726 1.00 0.00 C ATOM 726 O LYS 1 50 -0.752 -6.493 -0.180 1.00 0.00 O ATOM 727 CB LYS 1 50 1.226 -4.514 -0.330 1.00 0.00 C ATOM 728 CG LYS 1 50 2.328 -4.655 -1.382 1.00 0.00 C ATOM 729 CD LYS 1 50 3.634 -4.021 -0.899 1.00 0.00 C ATOM 730 CE LYS 1 50 3.378 -2.653 -0.266 1.00 0.00 C ATOM 731 NZ LYS 1 50 2.396 -1.887 -1.067 1.00 0.00 N ATOM 0 H LYS 1 50 2.492 -6.988 -0.377 1.00 0.00 H new ATOM 0 HA LYS 1 50 1.358 -5.143 1.675 1.00 0.00 H new ATOM 0 HB2 LYS 1 50 0.250 -4.534 -0.815 1.00 0.00 H new ATOM 0 HB3 LYS 1 50 1.315 -3.548 0.168 1.00 0.00 H new ATOM 0 HG2 LYS 1 50 2.492 -5.710 -1.603 1.00 0.00 H new ATOM 0 HG3 LYS 1 50 2.011 -4.181 -2.311 1.00 0.00 H new ATOM 0 HD2 LYS 1 50 4.114 -4.677 -0.173 1.00 0.00 H new ATOM 0 HD3 LYS 1 50 4.323 -3.915 -1.737 1.00 0.00 H new ATOM 0 HE2 LYS 1 50 3.007 -2.780 0.751 1.00 0.00 H new ATOM 0 HE3 LYS 1 50 4.313 -2.097 -0.197 1.00 0.00 H new ATOM 0 HZ1 LYS 1 50 2.590 -0.870 -0.973 1.00 0.00 H new ATOM 0 HZ2 LYS 1 50 2.472 -2.163 -2.067 1.00 0.00 H new ATOM 0 HZ3 LYS 1 50 1.435 -2.089 -0.724 1.00 0.00 H new ATOM 745 N PRO 1 51 -0.003 -7.380 1.797 1.00 0.00 N ATOM 746 CA PRO 1 51 -1.118 -8.299 1.948 1.00 0.00 C ATOM 747 C PRO 1 51 -2.383 -7.558 2.385 1.00 0.00 C ATOM 748 O PRO 1 51 -3.068 -6.952 1.563 1.00 0.00 O ATOM 749 CB PRO 1 51 -0.649 -9.324 2.966 1.00 0.00 C ATOM 750 CG PRO 1 51 0.524 -8.685 3.691 1.00 0.00 C ATOM 751 CD PRO 1 51 0.962 -7.470 2.889 1.00 0.00 C ATOM 0 HA PRO 1 51 -1.392 -8.785 1.012 1.00 0.00 H new ATOM 0 HB2 PRO 1 51 -1.448 -9.576 3.663 1.00 0.00 H new ATOM 0 HB3 PRO 1 51 -0.348 -10.251 2.477 1.00 0.00 H new ATOM 0 HG2 PRO 1 51 0.235 -8.392 4.700 1.00 0.00 H new ATOM 0 HG3 PRO 1 51 1.345 -9.395 3.788 1.00 0.00 H new ATOM 0 HD2 PRO 1 51 0.954 -6.568 3.500 1.00 0.00 H new ATOM 0 HD3 PRO 1 51 1.977 -7.590 2.511 1.00 0.00 H new ATOM 759 N LEU 1 52 -2.656 -7.630 3.680 1.00 0.00 N ATOM 760 CA LEU 1 52 -3.826 -6.975 4.237 1.00 0.00 C ATOM 761 C LEU 1 52 -3.467 -5.537 4.618 1.00 0.00 C ATOM 762 O LEU 1 52 -4.010 -4.993 5.578 1.00 0.00 O ATOM 763 CB LEU 1 52 -4.399 -7.794 5.394 1.00 0.00 C ATOM 764 CG LEU 1 52 -3.983 -7.352 6.800 1.00 0.00 C ATOM 765 CD1 LEU 1 52 -4.193 -8.479 7.813 1.00 0.00 C ATOM 766 CD2 LEU 1 52 -2.542 -6.835 6.807 1.00 0.00 C ATOM 0 H LEU 1 52 -2.086 -8.133 4.360 1.00 0.00 H new ATOM 0 HA LEU 1 52 -4.621 -6.919 3.494 1.00 0.00 H new ATOM 0 HB2 LEU 1 52 -5.487 -7.762 5.332 1.00 0.00 H new ATOM 0 HB3 LEU 1 52 -4.102 -8.834 5.259 1.00 0.00 H new ATOM 0 HG LEU 1 52 -4.624 -6.524 7.103 1.00 0.00 H new ATOM 0 HD11 LEU 1 52 -3.890 -8.139 8.803 1.00 0.00 H new ATOM 0 HD12 LEU 1 52 -5.246 -8.759 7.832 1.00 0.00 H new ATOM 0 HD13 LEU 1 52 -3.593 -9.342 7.526 1.00 0.00 H new ATOM 0 HD21 LEU 1 52 -2.271 -6.527 7.817 1.00 0.00 H new ATOM 0 HD22 LEU 1 52 -1.870 -7.627 6.476 1.00 0.00 H new ATOM 0 HD23 LEU 1 52 -2.458 -5.982 6.133 1.00 0.00 H new ATOM 778 N GLN 1 53 -2.554 -4.965 3.848 1.00 0.00 N ATOM 779 CA GLN 1 53 -2.116 -3.601 4.094 1.00 0.00 C ATOM 780 C GLN 1 53 -3.315 -2.650 4.096 1.00 0.00 C ATOM 781 O GLN 1 53 -3.242 -1.556 4.653 1.00 0.00 O ATOM 782 CB GLN 1 53 -1.073 -3.166 3.061 1.00 0.00 C ATOM 783 CG GLN 1 53 0.227 -3.954 3.230 1.00 0.00 C ATOM 784 CD GLN 1 53 0.792 -3.786 4.642 1.00 0.00 C ATOM 785 OE1 GLN 1 53 1.135 -4.742 5.318 1.00 0.00 O ATOM 786 NE2 GLN 1 53 0.868 -2.523 5.047 1.00 0.00 N ATOM 0 H GLN 1 53 -2.105 -5.421 3.053 1.00 0.00 H new ATOM 0 HA GLN 1 53 -1.645 -3.563 5.076 1.00 0.00 H new ATOM 0 HB2 GLN 1 53 -1.466 -3.317 2.056 1.00 0.00 H new ATOM 0 HB3 GLN 1 53 -0.873 -2.100 3.168 1.00 0.00 H new ATOM 0 HG2 GLN 1 53 0.044 -5.010 3.031 1.00 0.00 H new ATOM 0 HG3 GLN 1 53 0.960 -3.614 2.499 1.00 0.00 H new ATOM 0 HE21 GLN 1 53 0.563 -1.770 4.430 1.00 0.00 H new ATOM 0 HE22 GLN 1 53 1.231 -2.306 5.975 1.00 0.00 H new ATOM 795 N GLU 1 54 -4.390 -3.104 3.468 1.00 0.00 N ATOM 796 CA GLU 1 54 -5.602 -2.307 3.392 1.00 0.00 C ATOM 797 C GLU 1 54 -5.920 -1.690 4.755 1.00 0.00 C ATOM 798 O GLU 1 54 -6.612 -0.677 4.836 1.00 0.00 O ATOM 799 CB GLU 1 54 -6.777 -3.144 2.881 1.00 0.00 C ATOM 800 CG GLU 1 54 -7.192 -4.193 3.915 1.00 0.00 C ATOM 801 CD GLU 1 54 -8.710 -4.199 4.112 1.00 0.00 C ATOM 802 OE1 GLU 1 54 -9.289 -3.091 4.080 1.00 0.00 O ATOM 803 OE2 GLU 1 54 -9.254 -5.309 4.292 1.00 0.00 O ATOM 0 H GLU 1 54 -4.447 -4.013 3.008 1.00 0.00 H new ATOM 0 HA GLU 1 54 -5.437 -1.498 2.680 1.00 0.00 H new ATOM 0 HB2 GLU 1 54 -7.622 -2.493 2.658 1.00 0.00 H new ATOM 0 HB3 GLU 1 54 -6.500 -3.636 1.949 1.00 0.00 H new ATOM 0 HG2 GLU 1 54 -6.860 -5.179 3.591 1.00 0.00 H new ATOM 0 HG3 GLU 1 54 -6.699 -3.987 4.865 1.00 0.00 H new ATOM 810 N ALA 1 55 -5.399 -2.328 5.793 1.00 0.00 N ATOM 811 CA ALA 1 55 -5.617 -1.855 7.149 1.00 0.00 C ATOM 812 C ALA 1 55 -5.616 -0.325 7.158 1.00 0.00 C ATOM 813 O ALA 1 55 -6.633 0.299 7.458 1.00 0.00 O ATOM 814 CB ALA 1 55 -4.551 -2.444 8.075 1.00 0.00 C ATOM 0 H ALA 1 55 -4.826 -3.169 5.722 1.00 0.00 H new ATOM 0 HA ALA 1 55 -6.588 -2.186 7.518 1.00 0.00 H new ATOM 0 HB1 ALA 1 55 -4.716 -2.088 9.092 1.00 0.00 H new ATOM 0 HB2 ALA 1 55 -4.614 -3.532 8.056 1.00 0.00 H new ATOM 0 HB3 ALA 1 55 -3.563 -2.132 7.737 1.00 0.00 H new ATOM 820 N GLU 1 56 -4.462 0.235 6.825 1.00 0.00 N ATOM 821 CA GLU 1 56 -4.315 1.681 6.790 1.00 0.00 C ATOM 822 C GLU 1 56 -3.522 2.103 5.552 1.00 0.00 C ATOM 823 O GLU 1 56 -2.938 3.185 5.525 1.00 0.00 O ATOM 824 CB GLU 1 56 -3.650 2.195 8.068 1.00 0.00 C ATOM 825 CG GLU 1 56 -4.667 2.895 8.971 1.00 0.00 C ATOM 826 CD GLU 1 56 -4.027 4.076 9.705 1.00 0.00 C ATOM 827 OE1 GLU 1 56 -3.529 4.980 8.998 1.00 0.00 O ATOM 828 OE2 GLU 1 56 -4.049 4.048 10.954 1.00 0.00 O ATOM 0 H GLU 1 56 -3.621 -0.286 6.577 1.00 0.00 H new ATOM 0 HA GLU 1 56 -5.308 2.127 6.732 1.00 0.00 H new ATOM 0 HB2 GLU 1 56 -3.194 1.363 8.605 1.00 0.00 H new ATOM 0 HB3 GLU 1 56 -2.848 2.888 7.812 1.00 0.00 H new ATOM 0 HG2 GLU 1 56 -5.508 3.246 8.373 1.00 0.00 H new ATOM 0 HG3 GLU 1 56 -5.065 2.185 9.695 1.00 0.00 H new ATOM 835 N CYS 1 57 -3.528 1.229 4.557 1.00 0.00 N ATOM 836 CA CYS 1 57 -2.818 1.498 3.318 1.00 0.00 C ATOM 837 C CYS 1 57 -3.837 1.930 2.263 1.00 0.00 C ATOM 838 O CYS 1 57 -3.704 2.998 1.666 1.00 0.00 O ATOM 839 CB CYS 1 57 -2.001 0.288 2.861 1.00 0.00 C ATOM 840 SG CYS 1 57 -2.870 -0.833 1.705 1.00 0.00 S ATOM 0 H CYS 1 57 -4.014 0.333 4.583 1.00 0.00 H new ATOM 0 HA CYS 1 57 -2.099 2.302 3.476 1.00 0.00 H new ATOM 0 HB2 CYS 1 57 -1.088 0.643 2.383 1.00 0.00 H new ATOM 0 HB3 CYS 1 57 -1.700 -0.282 3.740 1.00 0.00 H new ATOM 845 N THR 1 58 -4.834 1.079 2.066 1.00 0.00 N ATOM 846 CA THR 1 58 -5.876 1.359 1.093 1.00 0.00 C ATOM 847 C THR 1 58 -6.676 2.596 1.509 1.00 0.00 C ATOM 848 O THR 1 58 -7.011 3.434 0.672 1.00 0.00 O ATOM 849 CB THR 1 58 -6.735 0.102 0.944 1.00 0.00 C ATOM 850 OG1 THR 1 58 -7.402 0.282 -0.303 1.00 0.00 O ATOM 851 CG2 THR 1 58 -7.870 0.045 1.969 1.00 0.00 C ATOM 0 H THR 1 58 -4.942 0.195 2.564 1.00 0.00 H new ATOM 0 HA THR 1 58 -5.452 1.597 0.118 1.00 0.00 H new ATOM 0 HB THR 1 58 -6.106 -0.782 1.048 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -7.218 1.182 -0.645 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -8.449 -0.866 1.820 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -7.452 0.049 2.976 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -8.518 0.912 1.842 1.00 0.00 H new ATOM 859 N PHE 1 59 -6.958 2.671 2.802 1.00 0.00 N ATOM 860 CA PHE 1 59 -7.712 3.792 3.339 1.00 0.00 C ATOM 861 C PHE 1 59 -7.358 5.090 2.612 1.00 0.00 C ATOM 862 O PHE 1 59 -8.141 6.038 2.611 1.00 0.00 O ATOM 863 CB PHE 1 59 -7.325 3.924 4.813 1.00 0.00 C ATOM 864 CG PHE 1 59 -8.073 5.035 5.554 1.00 0.00 C ATOM 865 CD1 PHE 1 59 -9.433 5.050 5.562 1.00 0.00 C ATOM 866 CD2 PHE 1 59 -7.377 6.005 6.205 1.00 0.00 C ATOM 867 CE1 PHE 1 59 -10.126 6.080 6.251 1.00 0.00 C ATOM 868 CE2 PHE 1 59 -8.071 7.035 6.894 1.00 0.00 C ATOM 869 CZ PHE 1 59 -9.431 7.051 6.902 1.00 0.00 C ATOM 0 H PHE 1 59 -6.678 1.975 3.493 1.00 0.00 H new ATOM 0 HA PHE 1 59 -8.780 3.617 3.212 1.00 0.00 H new ATOM 0 HB2 PHE 1 59 -7.514 2.975 5.315 1.00 0.00 H new ATOM 0 HB3 PHE 1 59 -6.254 4.113 4.882 1.00 0.00 H new ATOM 0 HD1 PHE 1 59 -9.985 4.279 5.045 1.00 0.00 H new ATOM 0 HD2 PHE 1 59 -6.297 5.992 6.198 1.00 0.00 H new ATOM 0 HE1 PHE 1 59 -11.206 6.092 6.258 1.00 0.00 H new ATOM 0 HE2 PHE 1 59 -7.519 7.805 7.412 1.00 0.00 H new ATOM 0 HZ PHE 1 59 -9.959 7.835 7.425 1.00 0.00 H new TER 879 PHE 1 59 ATOM 880 N GLU 2 1 -19.364 -2.502 2.795 1.00 0.00 N ATOM 881 CA GLU 2 1 -18.950 -2.453 1.403 1.00 0.00 C ATOM 882 C GLU 2 1 -18.739 -1.002 0.963 1.00 0.00 C ATOM 883 O GLU 2 1 -19.269 -0.578 -0.062 1.00 0.00 O ATOM 884 CB GLU 2 1 -19.969 -3.155 0.503 1.00 0.00 C ATOM 885 CG GLU 2 1 -21.322 -2.443 0.546 1.00 0.00 C ATOM 886 CD GLU 2 1 -22.422 -3.383 1.044 1.00 0.00 C ATOM 887 OE1 GLU 2 1 -22.520 -3.535 2.281 1.00 0.00 O ATOM 888 OE2 GLU 2 1 -23.138 -3.929 0.177 1.00 0.00 O ATOM 0 H1 GLU 2 1 -19.822 -3.415 2.989 1.00 0.00 H new ATOM 0 H2 GLU 2 1 -18.531 -2.395 3.409 1.00 0.00 H new ATOM 0 H3 GLU 2 1 -20.035 -1.731 2.985 1.00 0.00 H new ATOM 0 HA GLU 2 1 -18.003 -2.984 1.307 1.00 0.00 H new ATOM 0 HB2 GLU 2 1 -19.599 -3.178 -0.522 1.00 0.00 H new ATOM 0 HB3 GLU 2 1 -20.089 -4.190 0.822 1.00 0.00 H new ATOM 0 HG2 GLU 2 1 -21.258 -1.573 1.200 1.00 0.00 H new ATOM 0 HG3 GLU 2 1 -21.575 -2.076 -0.449 1.00 0.00 H new ATOM 895 N GLU 2 2 -17.964 -0.283 1.759 1.00 0.00 N ATOM 896 CA GLU 2 2 -17.675 1.111 1.465 1.00 0.00 C ATOM 897 C GLU 2 2 -16.417 1.222 0.602 1.00 0.00 C ATOM 898 O GLU 2 2 -15.362 1.630 1.085 1.00 0.00 O ATOM 899 CB GLU 2 2 -17.530 1.925 2.753 1.00 0.00 C ATOM 900 CG GLU 2 2 -18.897 2.361 3.283 1.00 0.00 C ATOM 901 CD GLU 2 2 -18.788 3.666 4.074 1.00 0.00 C ATOM 902 OE1 GLU 2 2 -18.414 3.578 5.264 1.00 0.00 O ATOM 903 OE2 GLU 2 2 -19.082 4.720 3.472 1.00 0.00 O ATOM 0 H GLU 2 2 -17.526 -0.639 2.609 1.00 0.00 H new ATOM 0 HA GLU 2 2 -18.514 1.525 0.905 1.00 0.00 H new ATOM 0 HB2 GLU 2 2 -17.016 1.330 3.508 1.00 0.00 H new ATOM 0 HB3 GLU 2 2 -16.912 2.803 2.565 1.00 0.00 H new ATOM 0 HG2 GLU 2 2 -19.588 2.493 2.451 1.00 0.00 H new ATOM 0 HG3 GLU 2 2 -19.310 1.579 3.920 1.00 0.00 H new ATOM 910 N TYR 2 3 -16.571 0.852 -0.661 1.00 0.00 N ATOM 911 CA TYR 2 3 -15.459 0.905 -1.596 1.00 0.00 C ATOM 912 C TYR 2 3 -15.421 2.249 -2.327 1.00 0.00 C ATOM 913 O TYR 2 3 -15.732 2.323 -3.514 1.00 0.00 O ATOM 914 CB TYR 2 3 -15.712 -0.208 -2.615 1.00 0.00 C ATOM 915 CG TYR 2 3 -17.191 -0.542 -2.818 1.00 0.00 C ATOM 916 CD1 TYR 2 3 -18.063 0.430 -3.266 1.00 0.00 C ATOM 917 CD2 TYR 2 3 -17.654 -1.815 -2.553 1.00 0.00 C ATOM 918 CE1 TYR 2 3 -19.455 0.116 -3.456 1.00 0.00 C ATOM 919 CE2 TYR 2 3 -19.047 -2.129 -2.744 1.00 0.00 C ATOM 920 CZ TYR 2 3 -19.878 -1.148 -3.186 1.00 0.00 C ATOM 921 OH TYR 2 3 -21.194 -1.445 -3.366 1.00 0.00 O ATOM 0 H TYR 2 3 -17.448 0.515 -1.059 1.00 0.00 H new ATOM 0 HA TYR 2 3 -14.511 0.785 -1.072 1.00 0.00 H new ATOM 0 HB2 TYR 2 3 -15.282 0.086 -3.573 1.00 0.00 H new ATOM 0 HB3 TYR 2 3 -15.188 -1.108 -2.292 1.00 0.00 H new ATOM 0 HD1 TYR 2 3 -17.701 1.426 -3.474 1.00 0.00 H new ATOM 0 HD2 TYR 2 3 -16.972 -2.576 -2.202 1.00 0.00 H new ATOM 0 HE1 TYR 2 3 -20.148 0.867 -3.805 1.00 0.00 H new ATOM 0 HE2 TYR 2 3 -19.423 -3.121 -2.541 1.00 0.00 H new ATOM 0 HH TYR 2 3 -21.352 -2.384 -3.135 1.00 0.00 H new ATOM 931 N VAL 2 4 -15.037 3.278 -1.585 1.00 0.00 N ATOM 932 CA VAL 2 4 -14.955 4.615 -2.148 1.00 0.00 C ATOM 933 C VAL 2 4 -13.604 5.235 -1.782 1.00 0.00 C ATOM 934 O VAL 2 4 -12.835 5.619 -2.662 1.00 0.00 O ATOM 935 CB VAL 2 4 -16.144 5.455 -1.678 1.00 0.00 C ATOM 936 CG1 VAL 2 4 -17.227 5.520 -2.756 1.00 0.00 C ATOM 937 CG2 VAL 2 4 -16.710 4.917 -0.363 1.00 0.00 C ATOM 0 H VAL 2 4 -14.780 3.213 -0.600 1.00 0.00 H new ATOM 0 HA VAL 2 4 -15.012 4.575 -3.236 1.00 0.00 H new ATOM 0 HB VAL 2 4 -15.788 6.470 -1.498 1.00 0.00 H new ATOM 0 HG11 VAL 2 4 -18.061 6.123 -2.398 1.00 0.00 H new ATOM 0 HG12 VAL 2 4 -16.815 5.971 -3.659 1.00 0.00 H new ATOM 0 HG13 VAL 2 4 -17.577 4.513 -2.981 1.00 0.00 H new ATOM 0 HG21 VAL 2 4 -17.554 5.532 -0.051 1.00 0.00 H new ATOM 0 HG22 VAL 2 4 -17.043 3.889 -0.504 1.00 0.00 H new ATOM 0 HG23 VAL 2 4 -15.937 4.946 0.405 1.00 0.00 H new ATOM 947 N GLY 2 5 -13.357 5.312 -0.482 1.00 0.00 N ATOM 948 CA GLY 2 5 -12.113 5.879 0.011 1.00 0.00 C ATOM 949 C GLY 2 5 -10.926 4.977 -0.333 1.00 0.00 C ATOM 950 O GLY 2 5 -9.804 5.226 0.106 1.00 0.00 O ATOM 0 H GLY 2 5 -13.997 4.991 0.244 1.00 0.00 H new ATOM 0 HA2 GLY 2 5 -11.962 6.867 -0.424 1.00 0.00 H new ATOM 0 HA3 GLY 2 5 -12.172 6.012 1.091 1.00 0.00 H new ATOM 954 N LEU 2 6 -11.213 3.946 -1.115 1.00 0.00 N ATOM 955 CA LEU 2 6 -10.183 3.006 -1.524 1.00 0.00 C ATOM 956 C LEU 2 6 -10.605 2.330 -2.829 1.00 0.00 C ATOM 957 O LEU 2 6 -10.223 1.190 -3.094 1.00 0.00 O ATOM 958 CB LEU 2 6 -9.878 2.022 -0.392 1.00 0.00 C ATOM 959 CG LEU 2 6 -11.068 1.605 0.474 1.00 0.00 C ATOM 960 CD1 LEU 2 6 -11.504 2.748 1.394 1.00 0.00 C ATOM 961 CD2 LEU 2 6 -12.222 1.092 -0.390 1.00 0.00 C ATOM 0 H LEU 2 6 -12.145 3.741 -1.476 1.00 0.00 H new ATOM 0 HA LEU 2 6 -9.247 3.528 -1.724 1.00 0.00 H new ATOM 0 HB2 LEU 2 6 -9.438 1.124 -0.827 1.00 0.00 H new ATOM 0 HB3 LEU 2 6 -9.122 2.466 0.255 1.00 0.00 H new ATOM 0 HG LEU 2 6 -10.753 0.780 1.113 1.00 0.00 H new ATOM 0 HD11 LEU 2 6 -12.351 2.425 1.999 1.00 0.00 H new ATOM 0 HD12 LEU 2 6 -10.677 3.025 2.047 1.00 0.00 H new ATOM 0 HD13 LEU 2 6 -11.795 3.609 0.792 1.00 0.00 H new ATOM 0 HD21 LEU 2 6 -13.055 0.802 0.250 1.00 0.00 H new ATOM 0 HD22 LEU 2 6 -12.545 1.880 -1.071 1.00 0.00 H new ATOM 0 HD23 LEU 2 6 -11.889 0.228 -0.966 1.00 0.00 H new ATOM 973 N SER 2 7 -11.386 3.060 -3.612 1.00 0.00 N ATOM 974 CA SER 2 7 -11.863 2.545 -4.884 1.00 0.00 C ATOM 975 C SER 2 7 -11.147 3.251 -6.036 1.00 0.00 C ATOM 976 O SER 2 7 -10.589 4.333 -5.855 1.00 0.00 O ATOM 977 CB SER 2 7 -13.378 2.718 -5.014 1.00 0.00 C ATOM 978 OG SER 2 7 -14.029 1.493 -5.340 1.00 0.00 O ATOM 0 H SER 2 7 -11.700 4.005 -3.390 1.00 0.00 H new ATOM 0 HA SER 2 7 -11.641 1.479 -4.927 1.00 0.00 H new ATOM 0 HB2 SER 2 7 -13.780 3.104 -4.078 1.00 0.00 H new ATOM 0 HB3 SER 2 7 -13.594 3.459 -5.784 1.00 0.00 H new ATOM 0 HG SER 2 7 -14.962 1.529 -5.041 1.00 0.00 H new ATOM 984 N ALA 2 8 -11.186 2.612 -7.196 1.00 0.00 N ATOM 985 CA ALA 2 8 -10.547 3.166 -8.377 1.00 0.00 C ATOM 986 C ALA 2 8 -11.153 4.536 -8.684 1.00 0.00 C ATOM 987 O ALA 2 8 -12.112 4.640 -9.449 1.00 0.00 O ATOM 988 CB ALA 2 8 -10.697 2.188 -9.545 1.00 0.00 C ATOM 0 H ALA 2 8 -11.650 1.716 -7.343 1.00 0.00 H new ATOM 0 HA ALA 2 8 -9.480 3.308 -8.205 1.00 0.00 H new ATOM 0 HB1 ALA 2 8 -10.218 2.604 -10.431 1.00 0.00 H new ATOM 0 HB2 ALA 2 8 -10.225 1.240 -9.288 1.00 0.00 H new ATOM 0 HB3 ALA 2 8 -11.755 2.024 -9.748 1.00 0.00 H new ATOM 994 N ASN 2 9 -10.571 5.557 -8.071 1.00 0.00 N ATOM 995 CA ASN 2 9 -11.041 6.917 -8.269 1.00 0.00 C ATOM 996 C ASN 2 9 -10.521 7.801 -7.134 1.00 0.00 C ATOM 997 O ASN 2 9 -10.408 9.017 -7.291 1.00 0.00 O ATOM 998 CB ASN 2 9 -12.569 6.979 -8.255 1.00 0.00 C ATOM 999 CG ASN 2 9 -13.112 7.449 -9.607 1.00 0.00 C ATOM 1000 OD1 ASN 2 9 -13.749 6.710 -10.339 1.00 0.00 O ATOM 1001 ND2 ASN 2 9 -12.825 8.715 -9.893 1.00 0.00 N ATOM 0 H ASN 2 9 -9.777 5.469 -7.436 1.00 0.00 H new ATOM 0 HA ASN 2 9 -10.675 7.263 -9.236 1.00 0.00 H new ATOM 0 HB2 ASN 2 9 -12.974 5.995 -8.019 1.00 0.00 H new ATOM 0 HB3 ASN 2 9 -12.902 7.658 -7.470 1.00 0.00 H new ATOM 0 HD21 ASN 2 9 -13.143 9.124 -10.772 1.00 0.00 H new ATOM 0 HD22 ASN 2 9 -12.287 9.277 -9.234 1.00 0.00 H new ATOM 1008 N GLN 2 10 -10.219 7.158 -6.016 1.00 0.00 N ATOM 1009 CA GLN 2 10 -9.713 7.872 -4.856 1.00 0.00 C ATOM 1010 C GLN 2 10 -8.411 8.595 -5.203 1.00 0.00 C ATOM 1011 O GLN 2 10 -8.146 9.683 -4.693 1.00 0.00 O ATOM 1012 CB GLN 2 10 -9.515 6.923 -3.672 1.00 0.00 C ATOM 1013 CG GLN 2 10 -10.245 7.435 -2.429 1.00 0.00 C ATOM 1014 CD GLN 2 10 -9.252 7.872 -1.351 1.00 0.00 C ATOM 1015 OE1 GLN 2 10 -9.239 9.009 -0.907 1.00 0.00 O ATOM 1016 NE2 GLN 2 10 -8.424 6.909 -0.955 1.00 0.00 N ATOM 0 H GLN 2 10 -10.315 6.151 -5.889 1.00 0.00 H new ATOM 0 HA GLN 2 10 -10.452 8.618 -4.562 1.00 0.00 H new ATOM 0 HB2 GLN 2 10 -9.884 5.931 -3.931 1.00 0.00 H new ATOM 0 HB3 GLN 2 10 -8.451 6.821 -3.457 1.00 0.00 H new ATOM 0 HG2 GLN 2 10 -10.886 8.274 -2.699 1.00 0.00 H new ATOM 0 HG3 GLN 2 10 -10.893 6.652 -2.035 1.00 0.00 H new ATOM 0 HE21 GLN 2 10 -8.489 5.979 -1.368 1.00 0.00 H new ATOM 0 HE22 GLN 2 10 -7.724 7.101 -0.238 1.00 0.00 H new ATOM 1025 N CYS 2 11 -7.632 7.963 -6.067 1.00 0.00 N ATOM 1026 CA CYS 2 11 -6.364 8.533 -6.488 1.00 0.00 C ATOM 1027 C CYS 2 11 -6.650 9.659 -7.484 1.00 0.00 C ATOM 1028 O CYS 2 11 -5.726 10.301 -7.982 1.00 0.00 O ATOM 1029 CB CYS 2 11 -5.434 7.471 -7.080 1.00 0.00 C ATOM 1030 SG CYS 2 11 -3.758 8.068 -7.505 1.00 0.00 S ATOM 0 H CYS 2 11 -7.854 7.061 -6.488 1.00 0.00 H new ATOM 0 HA CYS 2 11 -5.840 8.939 -5.622 1.00 0.00 H new ATOM 0 HB2 CYS 2 11 -5.342 6.651 -6.368 1.00 0.00 H new ATOM 0 HB3 CYS 2 11 -5.897 7.063 -7.978 1.00 0.00 H new ATOM 1035 N ALA 2 12 -7.932 9.863 -7.744 1.00 0.00 N ATOM 1036 CA ALA 2 12 -8.352 10.900 -8.671 1.00 0.00 C ATOM 1037 C ALA 2 12 -9.063 12.012 -7.897 1.00 0.00 C ATOM 1038 O ALA 2 12 -9.612 12.936 -8.496 1.00 0.00 O ATOM 1039 CB ALA 2 12 -9.237 10.287 -9.757 1.00 0.00 C ATOM 0 H ALA 2 12 -8.695 9.328 -7.329 1.00 0.00 H new ATOM 0 HA ALA 2 12 -7.489 11.344 -9.167 1.00 0.00 H new ATOM 0 HB1 ALA 2 12 -9.552 11.065 -10.452 1.00 0.00 H new ATOM 0 HB2 ALA 2 12 -8.675 9.524 -10.296 1.00 0.00 H new ATOM 0 HB3 ALA 2 12 -10.115 9.834 -9.298 1.00 0.00 H new ATOM 1045 N VAL 2 13 -9.030 11.887 -6.579 1.00 0.00 N ATOM 1046 CA VAL 2 13 -9.665 12.870 -5.718 1.00 0.00 C ATOM 1047 C VAL 2 13 -9.401 14.272 -6.269 1.00 0.00 C ATOM 1048 O VAL 2 13 -8.503 14.462 -7.090 1.00 0.00 O ATOM 1049 CB VAL 2 13 -9.181 12.694 -4.277 1.00 0.00 C ATOM 1050 CG1 VAL 2 13 -8.229 13.823 -3.876 1.00 0.00 C ATOM 1051 CG2 VAL 2 13 -10.362 12.602 -3.309 1.00 0.00 C ATOM 0 H VAL 2 13 -8.573 11.120 -6.086 1.00 0.00 H new ATOM 0 HA VAL 2 13 -10.745 12.724 -5.705 1.00 0.00 H new ATOM 0 HB VAL 2 13 -8.629 11.756 -4.222 1.00 0.00 H new ATOM 0 HG11 VAL 2 13 -7.900 13.674 -2.848 1.00 0.00 H new ATOM 0 HG12 VAL 2 13 -7.363 13.821 -4.538 1.00 0.00 H new ATOM 0 HG13 VAL 2 13 -8.745 14.780 -3.957 1.00 0.00 H new ATOM 0 HG21 VAL 2 13 -9.990 12.477 -2.292 1.00 0.00 H new ATOM 0 HG22 VAL 2 13 -10.954 13.515 -3.369 1.00 0.00 H new ATOM 0 HG23 VAL 2 13 -10.985 11.748 -3.575 1.00 0.00 H new ATOM 1061 N PRO 2 14 -10.220 15.244 -5.786 1.00 0.00 N ATOM 1062 CA PRO 2 14 -10.083 16.623 -6.222 1.00 0.00 C ATOM 1063 C PRO 2 14 -8.862 17.284 -5.579 1.00 0.00 C ATOM 1064 O PRO 2 14 -8.834 18.500 -5.396 1.00 0.00 O ATOM 1065 CB PRO 2 14 -11.392 17.290 -5.833 1.00 0.00 C ATOM 1066 CG PRO 2 14 -12.025 16.388 -4.786 1.00 0.00 C ATOM 1067 CD PRO 2 14 -11.293 15.057 -4.814 1.00 0.00 C ATOM 0 HA PRO 2 14 -9.910 16.709 -7.295 1.00 0.00 H new ATOM 0 HB2 PRO 2 14 -11.218 18.289 -5.434 1.00 0.00 H new ATOM 0 HB3 PRO 2 14 -12.045 17.402 -6.698 1.00 0.00 H new ATOM 0 HG2 PRO 2 14 -11.954 16.842 -3.798 1.00 0.00 H new ATOM 0 HG3 PRO 2 14 -13.085 16.245 -4.996 1.00 0.00 H new ATOM 0 HD2 PRO 2 14 -10.897 14.802 -3.831 1.00 0.00 H new ATOM 0 HD3 PRO 2 14 -11.958 14.246 -5.110 1.00 0.00 H new ATOM 1075 N ALA 2 15 -7.882 16.453 -5.253 1.00 0.00 N ATOM 1076 CA ALA 2 15 -6.662 16.941 -4.634 1.00 0.00 C ATOM 1077 C ALA 2 15 -7.020 17.855 -3.461 1.00 0.00 C ATOM 1078 O ALA 2 15 -6.817 19.067 -3.529 1.00 0.00 O ATOM 1079 CB ALA 2 15 -5.804 17.649 -5.685 1.00 0.00 C ATOM 0 H ALA 2 15 -7.909 15.445 -5.406 1.00 0.00 H new ATOM 0 HA ALA 2 15 -6.075 16.112 -4.238 1.00 0.00 H new ATOM 0 HB1 ALA 2 15 -4.888 18.015 -5.221 1.00 0.00 H new ATOM 0 HB2 ALA 2 15 -5.552 16.948 -6.481 1.00 0.00 H new ATOM 0 HB3 ALA 2 15 -6.360 18.488 -6.103 1.00 0.00 H new ATOM 1085 N LYS 2 16 -7.548 17.241 -2.413 1.00 0.00 N ATOM 1086 CA LYS 2 16 -7.937 17.984 -1.227 1.00 0.00 C ATOM 1087 C LYS 2 16 -8.780 17.085 -0.320 1.00 0.00 C ATOM 1088 O LYS 2 16 -9.858 17.480 0.123 1.00 0.00 O ATOM 1089 CB LYS 2 16 -8.633 19.290 -1.617 1.00 0.00 C ATOM 1090 CG LYS 2 16 -9.405 19.128 -2.928 1.00 0.00 C ATOM 1091 CD LYS 2 16 -10.852 19.604 -2.773 1.00 0.00 C ATOM 1092 CE LYS 2 16 -11.648 18.654 -1.874 1.00 0.00 C ATOM 1093 NZ LYS 2 16 -13.080 18.666 -2.248 1.00 0.00 N ATOM 0 H LYS 2 16 -7.716 16.236 -2.361 1.00 0.00 H new ATOM 0 HA LYS 2 16 -7.056 18.277 -0.656 1.00 0.00 H new ATOM 0 HB2 LYS 2 16 -9.316 19.594 -0.824 1.00 0.00 H new ATOM 0 HB3 LYS 2 16 -7.893 20.084 -1.722 1.00 0.00 H new ATOM 0 HG2 LYS 2 16 -8.913 19.697 -3.717 1.00 0.00 H new ATOM 0 HG3 LYS 2 16 -9.393 18.082 -3.235 1.00 0.00 H new ATOM 0 HD2 LYS 2 16 -10.865 20.608 -2.349 1.00 0.00 H new ATOM 0 HD3 LYS 2 16 -11.325 19.666 -3.753 1.00 0.00 H new ATOM 0 HE2 LYS 2 16 -11.251 17.643 -1.962 1.00 0.00 H new ATOM 0 HE3 LYS 2 16 -11.536 18.951 -0.831 1.00 0.00 H new ATOM 0 HZ1 LYS 2 16 -13.569 17.879 -1.776 1.00 0.00 H new ATOM 0 HZ2 LYS 2 16 -13.508 19.566 -1.953 1.00 0.00 H new ATOM 0 HZ3 LYS 2 16 -13.170 18.561 -3.279 1.00 0.00 H new ATOM 1107 N ASP 2 17 -8.257 15.894 -0.070 1.00 0.00 N ATOM 1108 CA ASP 2 17 -8.947 14.936 0.777 1.00 0.00 C ATOM 1109 C ASP 2 17 -7.970 13.838 1.200 1.00 0.00 C ATOM 1110 O ASP 2 17 -8.122 13.244 2.267 1.00 0.00 O ATOM 1111 CB ASP 2 17 -10.106 14.273 0.027 1.00 0.00 C ATOM 1112 CG ASP 2 17 -11.101 13.519 0.912 1.00 0.00 C ATOM 1113 OD1 ASP 2 17 -11.462 14.082 1.966 1.00 0.00 O ATOM 1114 OD2 ASP 2 17 -11.478 12.396 0.511 1.00 0.00 O ATOM 0 H ASP 2 17 -7.363 15.570 -0.439 1.00 0.00 H new ATOM 0 HA ASP 2 17 -9.335 15.471 1.644 1.00 0.00 H new ATOM 0 HB2 ASP 2 17 -10.646 15.040 -0.529 1.00 0.00 H new ATOM 0 HB3 ASP 2 17 -9.695 13.578 -0.705 1.00 0.00 H new ATOM 1119 N ARG 2 18 -6.986 13.603 0.344 1.00 0.00 N ATOM 1120 CA ARG 2 18 -5.984 12.587 0.617 1.00 0.00 C ATOM 1121 C ARG 2 18 -5.465 12.724 2.050 1.00 0.00 C ATOM 1122 O ARG 2 18 -5.841 13.653 2.764 1.00 0.00 O ATOM 1123 CB ARG 2 18 -4.808 12.699 -0.356 1.00 0.00 C ATOM 1124 CG ARG 2 18 -5.286 12.603 -1.807 1.00 0.00 C ATOM 1125 CD ARG 2 18 -4.501 13.560 -2.706 1.00 0.00 C ATOM 1126 NE ARG 2 18 -4.911 13.380 -4.116 1.00 0.00 N ATOM 1127 CZ ARG 2 18 -4.124 13.650 -5.168 1.00 0.00 C ATOM 1128 NH1 ARG 2 18 -2.883 14.115 -4.974 1.00 0.00 N ATOM 1129 NH2 ARG 2 18 -4.581 13.456 -6.413 1.00 0.00 N ATOM 0 H ARG 2 18 -6.862 14.099 -0.539 1.00 0.00 H new ATOM 0 HA ARG 2 18 -6.456 11.613 0.490 1.00 0.00 H new ATOM 0 HB2 ARG 2 18 -4.292 13.647 -0.201 1.00 0.00 H new ATOM 0 HB3 ARG 2 18 -4.087 11.907 -0.154 1.00 0.00 H new ATOM 0 HG2 ARG 2 18 -5.167 11.581 -2.166 1.00 0.00 H new ATOM 0 HG3 ARG 2 18 -6.349 12.838 -1.860 1.00 0.00 H new ATOM 0 HD2 ARG 2 18 -4.677 14.590 -2.396 1.00 0.00 H new ATOM 0 HD3 ARG 2 18 -3.432 13.374 -2.603 1.00 0.00 H new ATOM 0 HE ARG 2 18 -5.851 13.029 -4.300 1.00 0.00 H new ATOM 0 HH11 ARG 2 18 -2.536 14.264 -4.026 1.00 0.00 H new ATOM 0 HH12 ARG 2 18 -2.284 14.320 -5.774 1.00 0.00 H new ATOM 0 HH21 ARG 2 18 -5.527 13.103 -6.560 1.00 0.00 H new ATOM 0 HH22 ARG 2 18 -3.983 13.661 -7.213 1.00 0.00 H new ATOM 1143 N VAL 2 19 -4.610 11.785 2.429 1.00 0.00 N ATOM 1144 CA VAL 2 19 -4.036 11.790 3.763 1.00 0.00 C ATOM 1145 C VAL 2 19 -2.562 12.186 3.678 1.00 0.00 C ATOM 1146 O VAL 2 19 -1.790 11.923 4.600 1.00 0.00 O ATOM 1147 CB VAL 2 19 -4.252 10.430 4.430 1.00 0.00 C ATOM 1148 CG1 VAL 2 19 -3.911 10.489 5.921 1.00 0.00 C ATOM 1149 CG2 VAL 2 19 -5.684 9.935 4.214 1.00 0.00 C ATOM 0 H VAL 2 19 -4.301 11.016 1.835 1.00 0.00 H new ATOM 0 HA VAL 2 19 -4.535 12.528 4.391 1.00 0.00 H new ATOM 0 HB VAL 2 19 -3.576 9.716 3.960 1.00 0.00 H new ATOM 0 HG11 VAL 2 19 -4.073 9.509 6.370 1.00 0.00 H new ATOM 0 HG12 VAL 2 19 -2.867 10.776 6.044 1.00 0.00 H new ATOM 0 HG13 VAL 2 19 -4.550 11.224 6.412 1.00 0.00 H new ATOM 0 HG21 VAL 2 19 -5.811 8.967 4.698 1.00 0.00 H new ATOM 0 HG22 VAL 2 19 -6.385 10.650 4.644 1.00 0.00 H new ATOM 0 HG23 VAL 2 19 -5.877 9.835 3.146 1.00 0.00 H new ATOM 1159 N ASP 2 20 -2.213 12.814 2.565 1.00 0.00 N ATOM 1160 CA ASP 2 20 -0.845 13.249 2.347 1.00 0.00 C ATOM 1161 C ASP 2 20 0.113 12.258 3.012 1.00 0.00 C ATOM 1162 O ASP 2 20 0.506 12.445 4.163 1.00 0.00 O ATOM 1163 CB ASP 2 20 -0.601 14.628 2.964 1.00 0.00 C ATOM 1164 CG ASP 2 20 0.838 14.889 3.417 1.00 0.00 C ATOM 1165 OD1 ASP 2 20 1.716 14.918 2.528 1.00 0.00 O ATOM 1166 OD2 ASP 2 20 1.026 15.054 4.641 1.00 0.00 O ATOM 0 H ASP 2 20 -2.856 13.032 1.804 1.00 0.00 H new ATOM 0 HA ASP 2 20 -0.674 13.299 1.272 1.00 0.00 H new ATOM 0 HB2 ASP 2 20 -0.881 15.390 2.236 1.00 0.00 H new ATOM 0 HB3 ASP 2 20 -1.263 14.748 3.821 1.00 0.00 H new ATOM 1171 N CYS 2 21 0.461 11.225 2.259 1.00 0.00 N ATOM 1172 CA CYS 2 21 1.365 10.204 2.761 1.00 0.00 C ATOM 1173 C CYS 2 21 2.488 10.896 3.537 1.00 0.00 C ATOM 1174 O CYS 2 21 2.912 10.412 4.585 1.00 0.00 O ATOM 1175 CB CYS 2 21 1.909 9.326 1.632 1.00 0.00 C ATOM 1176 SG CYS 2 21 2.737 7.790 2.185 1.00 0.00 S ATOM 0 H CYS 2 21 0.133 11.073 1.305 1.00 0.00 H new ATOM 0 HA CYS 2 21 0.825 9.532 3.428 1.00 0.00 H new ATOM 0 HB2 CYS 2 21 1.086 9.060 0.969 1.00 0.00 H new ATOM 0 HB3 CYS 2 21 2.616 9.911 1.044 1.00 0.00 H new ATOM 1181 N GLY 2 22 2.938 12.016 2.990 1.00 0.00 N ATOM 1182 CA GLY 2 22 4.003 12.780 3.619 1.00 0.00 C ATOM 1183 C GLY 2 22 5.299 11.967 3.676 1.00 0.00 C ATOM 1184 O GLY 2 22 5.946 11.898 4.720 1.00 0.00 O ATOM 0 H GLY 2 22 2.585 12.413 2.119 1.00 0.00 H new ATOM 0 HA2 GLY 2 22 4.172 13.702 3.063 1.00 0.00 H new ATOM 0 HA3 GLY 2 22 3.704 13.066 4.627 1.00 0.00 H new ATOM 1188 N TYR 2 23 5.638 11.374 2.542 1.00 0.00 N ATOM 1189 CA TYR 2 23 6.845 10.569 2.450 1.00 0.00 C ATOM 1190 C TYR 2 23 8.033 11.414 1.985 1.00 0.00 C ATOM 1191 O TYR 2 23 7.923 12.166 1.018 1.00 0.00 O ATOM 1192 CB TYR 2 23 6.556 9.493 1.400 1.00 0.00 C ATOM 1193 CG TYR 2 23 6.323 8.099 1.985 1.00 0.00 C ATOM 1194 CD1 TYR 2 23 6.991 7.711 3.129 1.00 0.00 C ATOM 1195 CD2 TYR 2 23 5.446 7.230 1.369 1.00 0.00 C ATOM 1196 CE1 TYR 2 23 6.771 6.398 3.679 1.00 0.00 C ATOM 1197 CE2 TYR 2 23 5.227 5.918 1.919 1.00 0.00 C ATOM 1198 CZ TYR 2 23 5.900 5.566 3.047 1.00 0.00 C ATOM 1199 OH TYR 2 23 5.694 4.327 3.567 1.00 0.00 O ATOM 0 H TYR 2 23 5.099 11.434 1.678 1.00 0.00 H new ATOM 0 HA TYR 2 23 7.100 10.146 3.422 1.00 0.00 H new ATOM 0 HB2 TYR 2 23 5.677 9.787 0.826 1.00 0.00 H new ATOM 0 HB3 TYR 2 23 7.392 9.448 0.702 1.00 0.00 H new ATOM 0 HD1 TYR 2 23 7.678 8.391 3.611 1.00 0.00 H new ATOM 0 HD2 TYR 2 23 4.924 7.534 0.474 1.00 0.00 H new ATOM 0 HE1 TYR 2 23 7.286 6.081 4.574 1.00 0.00 H new ATOM 0 HE2 TYR 2 23 4.543 5.228 1.446 1.00 0.00 H new ATOM 0 HH TYR 2 23 4.978 3.879 3.070 1.00 0.00 H new ATOM 1209 N PRO 2 24 9.170 11.256 2.713 1.00 0.00 N ATOM 1210 CA PRO 2 24 10.377 11.995 2.385 1.00 0.00 C ATOM 1211 C PRO 2 24 11.053 11.416 1.141 1.00 0.00 C ATOM 1212 O PRO 2 24 12.050 11.956 0.664 1.00 0.00 O ATOM 1213 CB PRO 2 24 11.245 11.904 3.630 1.00 0.00 C ATOM 1214 CG PRO 2 24 10.699 10.734 4.434 1.00 0.00 C ATOM 1215 CD PRO 2 24 9.336 10.374 3.864 1.00 0.00 C ATOM 0 HA PRO 2 24 10.177 13.036 2.131 1.00 0.00 H new ATOM 0 HB2 PRO 2 24 12.290 11.743 3.366 1.00 0.00 H new ATOM 0 HB3 PRO 2 24 11.200 12.828 4.206 1.00 0.00 H new ATOM 0 HG2 PRO 2 24 11.375 9.881 4.375 1.00 0.00 H new ATOM 0 HG3 PRO 2 24 10.614 11.001 5.487 1.00 0.00 H new ATOM 0 HD2 PRO 2 24 9.295 9.326 3.568 1.00 0.00 H new ATOM 0 HD3 PRO 2 24 8.546 10.529 4.599 1.00 0.00 H new ATOM 1223 N HIS 2 25 10.484 10.325 0.651 1.00 0.00 N ATOM 1224 CA HIS 2 25 11.019 9.667 -0.529 1.00 0.00 C ATOM 1225 C HIS 2 25 9.971 9.680 -1.644 1.00 0.00 C ATOM 1226 O HIS 2 25 10.114 8.977 -2.643 1.00 0.00 O ATOM 1227 CB HIS 2 25 11.506 8.256 -0.191 1.00 0.00 C ATOM 1228 CG HIS 2 25 13.009 8.126 -0.120 1.00 0.00 C ATOM 1229 ND1 HIS 2 25 13.726 8.339 1.044 1.00 0.00 N ATOM 1230 CD2 HIS 2 25 13.922 7.803 -1.081 1.00 0.00 C ATOM 1231 CE1 HIS 2 25 15.012 8.150 0.784 1.00 0.00 C ATOM 1232 NE2 HIS 2 25 15.131 7.818 -0.533 1.00 0.00 N ATOM 0 H HIS 2 25 9.657 9.880 1.050 1.00 0.00 H new ATOM 0 HA HIS 2 25 11.890 10.213 -0.890 1.00 0.00 H new ATOM 0 HB2 HIS 2 25 11.080 7.955 0.766 1.00 0.00 H new ATOM 0 HB3 HIS 2 25 11.127 7.562 -0.941 1.00 0.00 H new ATOM 0 HD2 HIS 2 25 13.699 7.574 -2.113 1.00 0.00 H new ATOM 0 HE1 HIS 2 25 15.823 8.243 1.491 1.00 0.00 H new ATOM 0 HE2 HIS 2 25 16.005 7.615 -1.018 1.00 0.00 H new ATOM 1241 N VAL 2 26 8.942 10.488 -1.436 1.00 0.00 N ATOM 1242 CA VAL 2 26 7.870 10.603 -2.410 1.00 0.00 C ATOM 1243 C VAL 2 26 8.469 10.611 -3.819 1.00 0.00 C ATOM 1244 O VAL 2 26 9.375 11.390 -4.108 1.00 0.00 O ATOM 1245 CB VAL 2 26 7.023 11.841 -2.113 1.00 0.00 C ATOM 1246 CG1 VAL 2 26 7.905 13.032 -1.738 1.00 0.00 C ATOM 1247 CG2 VAL 2 26 6.116 12.181 -3.298 1.00 0.00 C ATOM 0 H VAL 2 26 8.828 11.070 -0.606 1.00 0.00 H new ATOM 0 HA VAL 2 26 7.200 9.746 -2.345 1.00 0.00 H new ATOM 0 HB VAL 2 26 6.386 11.614 -1.258 1.00 0.00 H new ATOM 0 HG11 VAL 2 26 7.277 13.899 -1.532 1.00 0.00 H new ATOM 0 HG12 VAL 2 26 8.489 12.787 -0.851 1.00 0.00 H new ATOM 0 HG13 VAL 2 26 8.579 13.260 -2.564 1.00 0.00 H new ATOM 0 HG21 VAL 2 26 5.524 13.065 -3.061 1.00 0.00 H new ATOM 0 HG22 VAL 2 26 6.727 12.378 -4.179 1.00 0.00 H new ATOM 0 HG23 VAL 2 26 5.450 11.342 -3.499 1.00 0.00 H new ATOM 1257 N THR 2 27 7.935 9.735 -4.659 1.00 0.00 N ATOM 1258 CA THR 2 27 8.404 9.632 -6.030 1.00 0.00 C ATOM 1259 C THR 2 27 7.423 8.811 -6.868 1.00 0.00 C ATOM 1260 O THR 2 27 6.697 7.972 -6.336 1.00 0.00 O ATOM 1261 CB THR 2 27 9.818 9.050 -6.004 1.00 0.00 C ATOM 1262 OG1 THR 2 27 10.639 10.106 -6.493 1.00 0.00 O ATOM 1263 CG2 THR 2 27 10.008 7.926 -7.026 1.00 0.00 C ATOM 0 H THR 2 27 7.182 9.091 -4.416 1.00 0.00 H new ATOM 0 HA THR 2 27 8.450 10.611 -6.507 1.00 0.00 H new ATOM 0 HB THR 2 27 10.036 8.673 -5.005 1.00 0.00 H new ATOM 0 HG1 THR 2 27 10.548 10.888 -5.909 1.00 0.00 H new ATOM 0 HG21 THR 2 27 11.029 7.548 -6.966 1.00 0.00 H new ATOM 0 HG22 THR 2 27 9.309 7.118 -6.812 1.00 0.00 H new ATOM 0 HG23 THR 2 27 9.822 8.311 -8.029 1.00 0.00 H new ATOM 1271 N PRO 2 28 7.435 9.086 -8.200 1.00 0.00 N ATOM 1272 CA PRO 2 28 6.555 8.381 -9.118 1.00 0.00 C ATOM 1273 C PRO 2 28 7.055 6.958 -9.372 1.00 0.00 C ATOM 1274 O PRO 2 28 7.122 6.515 -10.518 1.00 0.00 O ATOM 1275 CB PRO 2 28 6.532 9.236 -10.374 1.00 0.00 C ATOM 1276 CG PRO 2 28 7.753 10.137 -10.289 1.00 0.00 C ATOM 1277 CD PRO 2 28 8.282 10.071 -8.866 1.00 0.00 C ATOM 0 HA PRO 2 28 5.548 8.252 -8.721 1.00 0.00 H new ATOM 0 HB2 PRO 2 28 6.567 8.615 -11.269 1.00 0.00 H new ATOM 0 HB3 PRO 2 28 5.616 9.824 -10.429 1.00 0.00 H new ATOM 0 HG2 PRO 2 28 8.517 9.813 -10.996 1.00 0.00 H new ATOM 0 HG3 PRO 2 28 7.490 11.162 -10.552 1.00 0.00 H new ATOM 0 HD2 PRO 2 28 9.329 9.770 -8.847 1.00 0.00 H new ATOM 0 HD3 PRO 2 28 8.220 11.042 -8.375 1.00 0.00 H new ATOM 1285 N LYS 2 29 7.393 6.281 -8.285 1.00 0.00 N ATOM 1286 CA LYS 2 29 7.885 4.916 -8.376 1.00 0.00 C ATOM 1287 C LYS 2 29 8.175 4.388 -6.971 1.00 0.00 C ATOM 1288 O LYS 2 29 8.319 3.182 -6.774 1.00 0.00 O ATOM 1289 CB LYS 2 29 9.087 4.842 -9.320 1.00 0.00 C ATOM 1290 CG LYS 2 29 9.173 3.471 -9.993 1.00 0.00 C ATOM 1291 CD LYS 2 29 9.518 3.610 -11.477 1.00 0.00 C ATOM 1292 CE LYS 2 29 9.325 2.281 -12.212 1.00 0.00 C ATOM 1293 NZ LYS 2 29 9.152 2.511 -13.664 1.00 0.00 N ATOM 0 H LYS 2 29 7.336 6.652 -7.336 1.00 0.00 H new ATOM 0 HA LYS 2 29 7.126 4.266 -8.811 1.00 0.00 H new ATOM 0 HB2 LYS 2 29 9.005 5.619 -10.080 1.00 0.00 H new ATOM 0 HB3 LYS 2 29 10.004 5.036 -8.763 1.00 0.00 H new ATOM 0 HG2 LYS 2 29 9.930 2.864 -9.495 1.00 0.00 H new ATOM 0 HG3 LYS 2 29 8.223 2.948 -9.884 1.00 0.00 H new ATOM 0 HD2 LYS 2 29 8.888 4.375 -11.930 1.00 0.00 H new ATOM 0 HD3 LYS 2 29 10.550 3.942 -11.584 1.00 0.00 H new ATOM 0 HE2 LYS 2 29 10.186 1.635 -12.040 1.00 0.00 H new ATOM 0 HE3 LYS 2 29 8.453 1.762 -11.814 1.00 0.00 H new ATOM 0 HZ1 LYS 2 29 9.022 1.599 -14.147 1.00 0.00 H new ATOM 0 HZ2 LYS 2 29 8.316 3.109 -13.824 1.00 0.00 H new ATOM 0 HZ3 LYS 2 29 9.996 2.987 -14.043 1.00 0.00 H new ATOM 1307 N GLU 2 30 8.251 5.316 -6.027 1.00 0.00 N ATOM 1308 CA GLU 2 30 8.520 4.959 -4.645 1.00 0.00 C ATOM 1309 C GLU 2 30 7.221 4.957 -3.835 1.00 0.00 C ATOM 1310 O GLU 2 30 6.975 4.041 -3.052 1.00 0.00 O ATOM 1311 CB GLU 2 30 9.551 5.903 -4.025 1.00 0.00 C ATOM 1312 CG GLU 2 30 10.922 5.231 -3.932 1.00 0.00 C ATOM 1313 CD GLU 2 30 11.552 5.074 -5.316 1.00 0.00 C ATOM 1314 OE1 GLU 2 30 12.154 6.065 -5.783 1.00 0.00 O ATOM 1315 OE2 GLU 2 30 11.416 3.965 -5.878 1.00 0.00 O ATOM 0 H GLU 2 30 8.131 6.315 -6.193 1.00 0.00 H new ATOM 0 HA GLU 2 30 8.940 3.953 -4.625 1.00 0.00 H new ATOM 0 HB2 GLU 2 30 9.626 6.810 -4.625 1.00 0.00 H new ATOM 0 HB3 GLU 2 30 9.222 6.205 -3.031 1.00 0.00 H new ATOM 0 HG2 GLU 2 30 11.579 5.824 -3.295 1.00 0.00 H new ATOM 0 HG3 GLU 2 30 10.820 4.253 -3.462 1.00 0.00 H new ATOM 1322 N CYS 2 31 6.425 5.992 -4.053 1.00 0.00 N ATOM 1323 CA CYS 2 31 5.157 6.122 -3.352 1.00 0.00 C ATOM 1324 C CYS 2 31 4.325 4.869 -3.631 1.00 0.00 C ATOM 1325 O CYS 2 31 3.900 4.183 -2.702 1.00 0.00 O ATOM 1326 CB CYS 2 31 4.418 7.400 -3.753 1.00 0.00 C ATOM 1327 SG CYS 2 31 5.097 8.938 -3.031 1.00 0.00 S ATOM 0 H CYS 2 31 6.632 6.749 -4.705 1.00 0.00 H new ATOM 0 HA CYS 2 31 5.337 6.207 -2.280 1.00 0.00 H new ATOM 0 HB2 CYS 2 31 4.435 7.487 -4.839 1.00 0.00 H new ATOM 0 HB3 CYS 2 31 3.373 7.307 -3.457 1.00 0.00 H new ATOM 1332 N ASN 2 32 4.118 4.608 -4.912 1.00 0.00 N ATOM 1333 CA ASN 2 32 3.344 3.450 -5.326 1.00 0.00 C ATOM 1334 C ASN 2 32 4.039 2.177 -4.837 1.00 0.00 C ATOM 1335 O ASN 2 32 3.449 1.098 -4.855 1.00 0.00 O ATOM 1336 CB ASN 2 32 3.234 3.374 -6.850 1.00 0.00 C ATOM 1337 CG ASN 2 32 1.984 4.103 -7.346 1.00 0.00 C ATOM 1338 OD1 ASN 2 32 1.210 3.592 -8.138 1.00 0.00 O ATOM 1339 ND2 ASN 2 32 1.832 5.323 -6.838 1.00 0.00 N ATOM 0 H ASN 2 32 4.473 5.179 -5.679 1.00 0.00 H new ATOM 0 HA ASN 2 32 2.346 3.542 -4.898 1.00 0.00 H new ATOM 0 HB2 ASN 2 32 4.121 3.815 -7.305 1.00 0.00 H new ATOM 0 HB3 ASN 2 32 3.200 2.331 -7.164 1.00 0.00 H new ATOM 0 HD21 ASN 2 32 1.029 5.891 -7.108 1.00 0.00 H new ATOM 0 HD22 ASN 2 32 2.518 5.690 -6.179 1.00 0.00 H new ATOM 1346 N ASN 2 33 5.283 2.346 -4.413 1.00 0.00 N ATOM 1347 CA ASN 2 33 6.064 1.224 -3.922 1.00 0.00 C ATOM 1348 C ASN 2 33 5.975 1.177 -2.395 1.00 0.00 C ATOM 1349 O ASN 2 33 6.144 0.117 -1.792 1.00 0.00 O ATOM 1350 CB ASN 2 33 7.538 1.370 -4.305 1.00 0.00 C ATOM 1351 CG ASN 2 33 8.289 0.052 -4.105 1.00 0.00 C ATOM 1352 OD1 ASN 2 33 7.717 -0.977 -3.785 1.00 0.00 O ATOM 1353 ND2 ASN 2 33 9.601 0.140 -4.312 1.00 0.00 N ATOM 0 H ASN 2 33 5.769 3.243 -4.399 1.00 0.00 H new ATOM 0 HA ASN 2 33 5.664 0.313 -4.368 1.00 0.00 H new ATOM 0 HB2 ASN 2 33 7.618 1.684 -5.346 1.00 0.00 H new ATOM 0 HB3 ASN 2 33 7.999 2.151 -3.700 1.00 0.00 H new ATOM 0 HD21 ASN 2 33 10.191 -0.685 -4.204 1.00 0.00 H new ATOM 0 HD22 ASN 2 33 10.017 1.033 -4.578 1.00 0.00 H new ATOM 1360 N ARG 2 34 5.713 2.337 -1.813 1.00 0.00 N ATOM 1361 CA ARG 2 34 5.599 2.442 -0.368 1.00 0.00 C ATOM 1362 C ARG 2 34 4.161 2.163 0.074 1.00 0.00 C ATOM 1363 O ARG 2 34 3.926 1.753 1.209 1.00 0.00 O ATOM 1364 CB ARG 2 34 6.015 3.831 0.118 1.00 0.00 C ATOM 1365 CG ARG 2 34 7.384 4.223 -0.442 1.00 0.00 C ATOM 1366 CD ARG 2 34 8.342 4.623 0.681 1.00 0.00 C ATOM 1367 NE ARG 2 34 9.703 4.117 0.391 1.00 0.00 N ATOM 1368 CZ ARG 2 34 10.787 4.423 1.115 1.00 0.00 C ATOM 1369 NH1 ARG 2 34 10.679 5.234 2.175 1.00 0.00 N ATOM 1370 NH2 ARG 2 34 11.982 3.916 0.777 1.00 0.00 N ATOM 0 H ARG 2 34 5.576 3.214 -2.316 1.00 0.00 H new ATOM 0 HA ARG 2 34 6.267 1.701 0.071 1.00 0.00 H new ATOM 0 HB2 ARG 2 34 5.270 4.565 -0.188 1.00 0.00 H new ATOM 0 HB3 ARG 2 34 6.047 3.844 1.207 1.00 0.00 H new ATOM 0 HG2 ARG 2 34 7.804 3.388 -1.003 1.00 0.00 H new ATOM 0 HG3 ARG 2 34 7.271 5.052 -1.141 1.00 0.00 H new ATOM 0 HD2 ARG 2 34 8.363 5.708 0.783 1.00 0.00 H new ATOM 0 HD3 ARG 2 34 7.990 4.220 1.631 1.00 0.00 H new ATOM 0 HE ARG 2 34 9.822 3.497 -0.410 1.00 0.00 H new ATOM 0 HH11 ARG 2 34 9.770 5.619 2.432 1.00 0.00 H new ATOM 0 HH12 ARG 2 34 11.506 5.466 2.726 1.00 0.00 H new ATOM 0 HH21 ARG 2 34 12.064 3.298 -0.031 1.00 0.00 H new ATOM 0 HH22 ARG 2 34 12.809 4.148 1.328 1.00 0.00 H new ATOM 1384 N GLY 2 35 3.238 2.396 -0.847 1.00 0.00 N ATOM 1385 CA GLY 2 35 1.829 2.176 -0.567 1.00 0.00 C ATOM 1386 C GLY 2 35 1.036 3.478 -0.687 1.00 0.00 C ATOM 1387 O GLY 2 35 -0.049 3.603 -0.121 1.00 0.00 O ATOM 0 H GLY 2 35 3.438 2.735 -1.788 1.00 0.00 H new ATOM 0 HA2 GLY 2 35 1.428 1.437 -1.260 1.00 0.00 H new ATOM 0 HA3 GLY 2 35 1.714 1.767 0.437 1.00 0.00 H new ATOM 1391 N CYS 2 36 1.607 4.416 -1.428 1.00 0.00 N ATOM 1392 CA CYS 2 36 0.967 5.704 -1.630 1.00 0.00 C ATOM 1393 C CYS 2 36 0.763 5.910 -3.132 1.00 0.00 C ATOM 1394 O CYS 2 36 1.208 5.096 -3.940 1.00 0.00 O ATOM 1395 CB CYS 2 36 1.776 6.843 -1.004 1.00 0.00 C ATOM 1396 SG CYS 2 36 2.459 6.476 0.654 1.00 0.00 S ATOM 0 H CYS 2 36 2.507 4.309 -1.896 1.00 0.00 H new ATOM 0 HA CYS 2 36 -0.000 5.713 -1.128 1.00 0.00 H new ATOM 0 HB2 CYS 2 36 2.599 7.096 -1.673 1.00 0.00 H new ATOM 0 HB3 CYS 2 36 1.140 7.725 -0.933 1.00 0.00 H new ATOM 1401 N CYS 2 37 0.089 7.001 -3.461 1.00 0.00 N ATOM 1402 CA CYS 2 37 -0.180 7.323 -4.853 1.00 0.00 C ATOM 1403 C CYS 2 37 0.532 8.636 -5.188 1.00 0.00 C ATOM 1404 O CYS 2 37 0.446 9.604 -4.434 1.00 0.00 O ATOM 1405 CB CYS 2 37 -1.681 7.401 -5.136 1.00 0.00 C ATOM 1406 SG CYS 2 37 -2.150 7.118 -6.882 1.00 0.00 S ATOM 0 H CYS 2 37 -0.279 7.674 -2.789 1.00 0.00 H new ATOM 0 HA CYS 2 37 0.203 6.528 -5.493 1.00 0.00 H new ATOM 0 HB2 CYS 2 37 -2.192 6.666 -4.514 1.00 0.00 H new ATOM 0 HB3 CYS 2 37 -2.043 8.383 -4.832 1.00 0.00 H new ATOM 1411 N PHE 2 38 1.220 8.626 -6.320 1.00 0.00 N ATOM 1412 CA PHE 2 38 1.946 9.803 -6.764 1.00 0.00 C ATOM 1413 C PHE 2 38 1.054 10.709 -7.616 1.00 0.00 C ATOM 1414 O PHE 2 38 0.487 10.267 -8.614 1.00 0.00 O ATOM 1415 CB PHE 2 38 3.116 9.310 -7.620 1.00 0.00 C ATOM 1416 CG PHE 2 38 4.167 10.382 -7.912 1.00 0.00 C ATOM 1417 CD1 PHE 2 38 5.127 10.664 -6.990 1.00 0.00 C ATOM 1418 CD2 PHE 2 38 4.144 11.054 -9.094 1.00 0.00 C ATOM 1419 CE1 PHE 2 38 6.103 11.660 -7.262 1.00 0.00 C ATOM 1420 CE2 PHE 2 38 5.120 12.049 -9.366 1.00 0.00 C ATOM 1421 CZ PHE 2 38 6.079 12.331 -8.443 1.00 0.00 C ATOM 0 H PHE 2 38 1.290 7.821 -6.943 1.00 0.00 H new ATOM 0 HA PHE 2 38 2.285 10.378 -5.902 1.00 0.00 H new ATOM 0 HB2 PHE 2 38 3.596 8.473 -7.113 1.00 0.00 H new ATOM 0 HB3 PHE 2 38 2.727 8.930 -8.565 1.00 0.00 H new ATOM 0 HD1 PHE 2 38 5.147 10.131 -6.051 1.00 0.00 H new ATOM 0 HD2 PHE 2 38 3.383 10.831 -9.827 1.00 0.00 H new ATOM 0 HE1 PHE 2 38 6.864 11.884 -6.529 1.00 0.00 H new ATOM 0 HE2 PHE 2 38 5.101 12.582 -10.305 1.00 0.00 H new ATOM 0 HZ PHE 2 38 6.821 13.088 -8.649 1.00 0.00 H new ATOM 1431 N ASP 2 39 0.959 11.960 -7.191 1.00 0.00 N ATOM 1432 CA ASP 2 39 0.146 12.932 -7.901 1.00 0.00 C ATOM 1433 C ASP 2 39 0.790 13.235 -9.257 1.00 0.00 C ATOM 1434 O ASP 2 39 0.610 12.486 -10.215 1.00 0.00 O ATOM 1435 CB ASP 2 39 0.047 14.244 -7.121 1.00 0.00 C ATOM 1436 CG ASP 2 39 -0.519 15.426 -7.910 1.00 0.00 C ATOM 1437 OD1 ASP 2 39 -1.653 15.279 -8.415 1.00 0.00 O ATOM 1438 OD2 ASP 2 39 0.196 16.448 -7.992 1.00 0.00 O ATOM 0 H ASP 2 39 1.432 12.323 -6.363 1.00 0.00 H new ATOM 0 HA ASP 2 39 -0.852 12.511 -8.024 1.00 0.00 H new ATOM 0 HB2 ASP 2 39 -0.578 14.081 -6.243 1.00 0.00 H new ATOM 0 HB3 ASP 2 39 1.041 14.510 -6.760 1.00 0.00 H new ATOM 1443 N SER 2 40 1.525 14.336 -9.293 1.00 0.00 N ATOM 1444 CA SER 2 40 2.196 14.749 -10.514 1.00 0.00 C ATOM 1445 C SER 2 40 1.311 15.724 -11.293 1.00 0.00 C ATOM 1446 O SER 2 40 1.768 16.358 -12.243 1.00 0.00 O ATOM 1447 CB SER 2 40 2.547 13.540 -11.385 1.00 0.00 C ATOM 1448 OG SER 2 40 3.672 13.793 -12.220 1.00 0.00 O ATOM 0 H SER 2 40 1.671 14.955 -8.496 1.00 0.00 H new ATOM 0 HA SER 2 40 3.125 15.249 -10.241 1.00 0.00 H new ATOM 0 HB2 SER 2 40 2.755 12.681 -10.747 1.00 0.00 H new ATOM 0 HB3 SER 2 40 1.689 13.277 -12.003 1.00 0.00 H new ATOM 0 HG SER 2 40 3.865 12.997 -12.759 1.00 0.00 H new ATOM 1454 N ARG 2 41 0.062 15.816 -10.861 1.00 0.00 N ATOM 1455 CA ARG 2 41 -0.890 16.704 -11.506 1.00 0.00 C ATOM 1456 C ARG 2 41 -0.872 18.078 -10.835 1.00 0.00 C ATOM 1457 O ARG 2 41 -0.602 19.088 -11.485 1.00 0.00 O ATOM 1458 CB ARG 2 41 -2.307 16.131 -11.444 1.00 0.00 C ATOM 1459 CG ARG 2 41 -2.322 14.657 -11.853 1.00 0.00 C ATOM 1460 CD ARG 2 41 -3.611 14.307 -12.597 1.00 0.00 C ATOM 1461 NE ARG 2 41 -3.560 14.841 -13.976 1.00 0.00 N ATOM 1462 CZ ARG 2 41 -4.119 15.999 -14.356 1.00 0.00 C ATOM 1463 NH1 ARG 2 41 -4.775 16.751 -13.461 1.00 0.00 N ATOM 1464 NH2 ARG 2 41 -4.022 16.404 -15.629 1.00 0.00 N ATOM 0 H ARG 2 41 -0.313 15.290 -10.072 1.00 0.00 H new ATOM 0 HA ARG 2 41 -0.596 16.803 -12.551 1.00 0.00 H new ATOM 0 HB2 ARG 2 41 -2.701 16.235 -10.433 1.00 0.00 H new ATOM 0 HB3 ARG 2 41 -2.963 16.701 -12.102 1.00 0.00 H new ATOM 0 HG2 ARG 2 41 -1.462 14.444 -12.488 1.00 0.00 H new ATOM 0 HG3 ARG 2 41 -2.228 14.029 -10.967 1.00 0.00 H new ATOM 0 HD2 ARG 2 41 -3.744 13.225 -12.622 1.00 0.00 H new ATOM 0 HD3 ARG 2 41 -4.470 14.722 -12.069 1.00 0.00 H new ATOM 0 HE ARG 2 41 -3.068 14.293 -14.682 1.00 0.00 H new ATOM 0 HH11 ARG 2 41 -4.849 16.442 -12.492 1.00 0.00 H new ATOM 0 HH12 ARG 2 41 -5.200 17.632 -13.749 1.00 0.00 H new ATOM 0 HH21 ARG 2 41 -3.523 15.831 -16.310 1.00 0.00 H new ATOM 0 HH22 ARG 2 41 -4.447 17.285 -15.918 1.00 0.00 H new ATOM 1478 N ILE 2 42 -1.164 18.074 -9.543 1.00 0.00 N ATOM 1479 CA ILE 2 42 -1.185 19.308 -8.776 1.00 0.00 C ATOM 1480 C ILE 2 42 0.010 19.330 -7.820 1.00 0.00 C ATOM 1481 O ILE 2 42 0.125 18.473 -6.945 1.00 0.00 O ATOM 1482 CB ILE 2 42 -2.536 19.483 -8.078 1.00 0.00 C ATOM 1483 CG1 ILE 2 42 -3.621 18.656 -8.770 1.00 0.00 C ATOM 1484 CG2 ILE 2 42 -2.915 20.962 -7.980 1.00 0.00 C ATOM 1485 CD1 ILE 2 42 -5.008 19.012 -8.231 1.00 0.00 C ATOM 0 H ILE 2 42 -1.388 17.235 -9.007 1.00 0.00 H new ATOM 0 HA ILE 2 42 -1.081 20.169 -9.436 1.00 0.00 H new ATOM 0 HB ILE 2 42 -2.446 19.107 -7.059 1.00 0.00 H new ATOM 0 HG12 ILE 2 42 -3.588 18.833 -9.845 1.00 0.00 H new ATOM 0 HG13 ILE 2 42 -3.428 17.594 -8.616 1.00 0.00 H new ATOM 0 HG21 ILE 2 42 -3.879 21.058 -7.480 1.00 0.00 H new ATOM 0 HG22 ILE 2 42 -2.155 21.495 -7.409 1.00 0.00 H new ATOM 0 HG23 ILE 2 42 -2.981 21.388 -8.981 1.00 0.00 H new ATOM 0 HD11 ILE 2 42 -5.761 18.410 -8.739 1.00 0.00 H new ATOM 0 HD12 ILE 2 42 -5.045 18.811 -7.160 1.00 0.00 H new ATOM 0 HD13 ILE 2 42 -5.207 20.069 -8.409 1.00 0.00 H new ATOM 1497 N PRO 2 43 0.891 20.345 -8.024 1.00 0.00 N ATOM 1498 CA PRO 2 43 2.072 20.491 -7.190 1.00 0.00 C ATOM 1499 C PRO 2 43 1.706 21.040 -5.810 1.00 0.00 C ATOM 1500 O PRO 2 43 2.528 21.035 -4.897 1.00 0.00 O ATOM 1501 CB PRO 2 43 2.994 21.412 -7.971 1.00 0.00 C ATOM 1502 CG PRO 2 43 2.113 22.119 -8.989 1.00 0.00 C ATOM 1503 CD PRO 2 43 0.787 21.379 -9.050 1.00 0.00 C ATOM 0 HA PRO 2 43 2.562 19.539 -6.985 1.00 0.00 H new ATOM 0 HB2 PRO 2 43 3.480 22.130 -7.310 1.00 0.00 H new ATOM 0 HB3 PRO 2 43 3.784 20.846 -8.464 1.00 0.00 H new ATOM 0 HG2 PRO 2 43 1.957 23.159 -8.702 1.00 0.00 H new ATOM 0 HG3 PRO 2 43 2.592 22.127 -9.968 1.00 0.00 H new ATOM 0 HD2 PRO 2 43 -0.050 22.049 -8.853 1.00 0.00 H new ATOM 0 HD3 PRO 2 43 0.622 20.944 -10.035 1.00 0.00 H new ATOM 1511 N GLY 2 44 0.468 21.503 -5.702 1.00 0.00 N ATOM 1512 CA GLY 2 44 -0.018 22.055 -4.450 1.00 0.00 C ATOM 1513 C GLY 2 44 -0.669 20.971 -3.588 1.00 0.00 C ATOM 1514 O GLY 2 44 -0.998 21.209 -2.428 1.00 0.00 O ATOM 0 H GLY 2 44 -0.212 21.507 -6.462 1.00 0.00 H new ATOM 0 HA2 GLY 2 44 0.808 22.511 -3.904 1.00 0.00 H new ATOM 0 HA3 GLY 2 44 -0.740 22.846 -4.653 1.00 0.00 H new ATOM 1518 N VAL 2 45 -0.835 19.802 -4.190 1.00 0.00 N ATOM 1519 CA VAL 2 45 -1.441 18.681 -3.493 1.00 0.00 C ATOM 1520 C VAL 2 45 -0.357 17.663 -3.134 1.00 0.00 C ATOM 1521 O VAL 2 45 0.783 17.781 -3.580 1.00 0.00 O ATOM 1522 CB VAL 2 45 -2.565 18.083 -4.341 1.00 0.00 C ATOM 1523 CG1 VAL 2 45 -2.155 16.726 -4.918 1.00 0.00 C ATOM 1524 CG2 VAL 2 45 -3.859 17.965 -3.533 1.00 0.00 C ATOM 0 H VAL 2 45 -0.560 19.607 -5.153 1.00 0.00 H new ATOM 0 HA VAL 2 45 -1.897 19.013 -2.560 1.00 0.00 H new ATOM 0 HB VAL 2 45 -2.751 18.760 -5.175 1.00 0.00 H new ATOM 0 HG11 VAL 2 45 -2.972 16.323 -5.516 1.00 0.00 H new ATOM 0 HG12 VAL 2 45 -1.272 16.849 -5.545 1.00 0.00 H new ATOM 0 HG13 VAL 2 45 -1.928 16.038 -4.104 1.00 0.00 H new ATOM 0 HG21 VAL 2 45 -4.642 17.537 -4.160 1.00 0.00 H new ATOM 0 HG22 VAL 2 45 -3.692 17.320 -2.670 1.00 0.00 H new ATOM 0 HG23 VAL 2 45 -4.167 18.954 -3.193 1.00 0.00 H new ATOM 1534 N PRO 2 46 -0.761 16.660 -2.309 1.00 0.00 N ATOM 1535 CA PRO 2 46 0.164 15.622 -1.885 1.00 0.00 C ATOM 1536 C PRO 2 46 0.431 14.629 -3.019 1.00 0.00 C ATOM 1537 O PRO 2 46 -0.477 13.928 -3.462 1.00 0.00 O ATOM 1538 CB PRO 2 46 -0.495 14.977 -0.676 1.00 0.00 C ATOM 1539 CG PRO 2 46 -1.964 15.362 -0.748 1.00 0.00 C ATOM 1540 CD PRO 2 46 -2.103 16.487 -1.761 1.00 0.00 C ATOM 0 HA PRO 2 46 1.146 16.016 -1.625 1.00 0.00 H new ATOM 0 HB2 PRO 2 46 -0.374 13.894 -0.696 1.00 0.00 H new ATOM 0 HB3 PRO 2 46 -0.043 15.331 0.251 1.00 0.00 H new ATOM 0 HG2 PRO 2 46 -2.569 14.505 -1.044 1.00 0.00 H new ATOM 0 HG3 PRO 2 46 -2.323 15.683 0.230 1.00 0.00 H new ATOM 0 HD2 PRO 2 46 -2.819 16.231 -2.541 1.00 0.00 H new ATOM 0 HD3 PRO 2 46 -2.459 17.403 -1.289 1.00 0.00 H new ATOM 1548 N TRP 2 47 1.682 14.603 -3.456 1.00 0.00 N ATOM 1549 CA TRP 2 47 2.081 13.708 -4.529 1.00 0.00 C ATOM 1550 C TRP 2 47 2.443 12.357 -3.909 1.00 0.00 C ATOM 1551 O TRP 2 47 3.292 11.637 -4.432 1.00 0.00 O ATOM 1552 CB TRP 2 47 3.220 14.313 -5.352 1.00 0.00 C ATOM 1553 CG TRP 2 47 3.461 15.799 -5.083 1.00 0.00 C ATOM 1554 CD1 TRP 2 47 2.781 16.846 -5.570 1.00 0.00 C ATOM 1555 CD2 TRP 2 47 4.485 16.365 -4.239 1.00 0.00 C ATOM 1556 NE1 TRP 2 47 3.290 18.042 -5.104 1.00 0.00 N ATOM 1557 CE2 TRP 2 47 4.359 17.740 -4.267 1.00 0.00 C ATOM 1558 CE3 TRP 2 47 5.484 15.737 -3.474 1.00 0.00 C ATOM 1559 CZ2 TRP 2 47 5.199 18.602 -3.553 1.00 0.00 C ATOM 1560 CZ3 TRP 2 47 6.316 16.613 -2.766 1.00 0.00 C ATOM 1561 CH2 TRP 2 47 6.202 17.999 -2.785 1.00 0.00 C ATOM 0 H TRP 2 47 2.432 15.187 -3.087 1.00 0.00 H new ATOM 0 HA TRP 2 47 1.261 13.559 -5.232 1.00 0.00 H new ATOM 0 HB2 TRP 2 47 4.138 13.763 -5.143 1.00 0.00 H new ATOM 0 HB3 TRP 2 47 3.001 14.177 -6.411 1.00 0.00 H new ATOM 0 HD1 TRP 2 47 1.940 16.765 -6.243 1.00 0.00 H new ATOM 0 HE1 TRP 2 47 2.946 18.975 -5.332 1.00 0.00 H new ATOM 0 HE3 TRP 2 47 5.600 14.664 -3.436 1.00 0.00 H new ATOM 0 HZ2 TRP 2 47 5.080 19.675 -3.592 1.00 0.00 H new ATOM 0 HZ3 TRP 2 47 7.101 16.182 -2.163 1.00 0.00 H new ATOM 0 HH2 TRP 2 47 6.884 18.607 -2.210 1.00 0.00 H new ATOM 1572 N CYS 2 48 1.781 12.054 -2.802 1.00 0.00 N ATOM 1573 CA CYS 2 48 2.023 10.802 -2.105 1.00 0.00 C ATOM 1574 C CYS 2 48 0.937 10.627 -1.041 1.00 0.00 C ATOM 1575 O CYS 2 48 1.060 11.146 0.067 1.00 0.00 O ATOM 1576 CB CYS 2 48 3.428 10.753 -1.500 1.00 0.00 C ATOM 1577 SG CYS 2 48 4.149 9.076 -1.370 1.00 0.00 S ATOM 0 H CYS 2 48 1.078 12.654 -2.371 1.00 0.00 H new ATOM 0 HA CYS 2 48 1.975 9.974 -2.812 1.00 0.00 H new ATOM 0 HB2 CYS 2 48 4.091 11.372 -2.105 1.00 0.00 H new ATOM 0 HB3 CYS 2 48 3.396 11.198 -0.505 1.00 0.00 H new ATOM 1582 N PHE 2 49 -0.101 9.894 -1.415 1.00 0.00 N ATOM 1583 CA PHE 2 49 -1.207 9.645 -0.508 1.00 0.00 C ATOM 1584 C PHE 2 49 -1.688 8.196 -0.613 1.00 0.00 C ATOM 1585 O PHE 2 49 -1.094 7.392 -1.330 1.00 0.00 O ATOM 1586 CB PHE 2 49 -2.347 10.578 -0.923 1.00 0.00 C ATOM 1587 CG PHE 2 49 -2.405 10.859 -2.426 1.00 0.00 C ATOM 1588 CD1 PHE 2 49 -1.391 11.531 -3.032 1.00 0.00 C ATOM 1589 CD2 PHE 2 49 -3.472 10.434 -3.155 1.00 0.00 C ATOM 1590 CE1 PHE 2 49 -1.445 11.790 -4.427 1.00 0.00 C ATOM 1591 CE2 PHE 2 49 -3.527 10.694 -4.550 1.00 0.00 C ATOM 1592 CZ PHE 2 49 -2.512 11.367 -5.156 1.00 0.00 C ATOM 0 H PHE 2 49 -0.199 9.464 -2.335 1.00 0.00 H new ATOM 0 HA PHE 2 49 -0.890 9.822 0.520 1.00 0.00 H new ATOM 0 HB2 PHE 2 49 -3.294 10.140 -0.609 1.00 0.00 H new ATOM 0 HB3 PHE 2 49 -2.241 11.523 -0.391 1.00 0.00 H new ATOM 0 HD1 PHE 2 49 -0.544 11.868 -2.453 1.00 0.00 H new ATOM 0 HD2 PHE 2 49 -4.277 9.899 -2.673 1.00 0.00 H new ATOM 0 HE1 PHE 2 49 -0.639 12.323 -4.909 1.00 0.00 H new ATOM 0 HE2 PHE 2 49 -4.374 10.358 -5.129 1.00 0.00 H new ATOM 0 HZ PHE 2 49 -2.554 11.565 -6.217 1.00 0.00 H new ATOM 1602 N LYS 2 50 -2.758 7.907 0.111 1.00 0.00 N ATOM 1603 CA LYS 2 50 -3.325 6.568 0.107 1.00 0.00 C ATOM 1604 C LYS 2 50 -4.742 6.621 -0.465 1.00 0.00 C ATOM 1605 O LYS 2 50 -5.717 6.447 0.263 1.00 0.00 O ATOM 1606 CB LYS 2 50 -3.250 5.951 1.506 1.00 0.00 C ATOM 1607 CG LYS 2 50 -1.884 5.304 1.747 1.00 0.00 C ATOM 1608 CD LYS 2 50 -1.198 5.911 2.972 1.00 0.00 C ATOM 1609 CE LYS 2 50 0.283 6.177 2.695 1.00 0.00 C ATOM 1610 NZ LYS 2 50 1.021 6.370 3.964 1.00 0.00 N ATOM 0 H LYS 2 50 -3.248 8.576 0.705 1.00 0.00 H new ATOM 0 HA LYS 2 50 -2.744 5.910 -0.539 1.00 0.00 H new ATOM 0 HB2 LYS 2 50 -3.430 6.720 2.257 1.00 0.00 H new ATOM 0 HB3 LYS 2 50 -4.036 5.204 1.621 1.00 0.00 H new ATOM 0 HG2 LYS 2 50 -2.006 4.230 1.889 1.00 0.00 H new ATOM 0 HG3 LYS 2 50 -1.253 5.439 0.868 1.00 0.00 H new ATOM 0 HD2 LYS 2 50 -1.693 6.842 3.247 1.00 0.00 H new ATOM 0 HD3 LYS 2 50 -1.297 5.235 3.821 1.00 0.00 H new ATOM 0 HE2 LYS 2 50 0.711 5.341 2.142 1.00 0.00 H new ATOM 0 HE3 LYS 2 50 0.389 7.062 2.068 1.00 0.00 H new ATOM 0 HZ1 LYS 2 50 1.913 6.871 3.774 1.00 0.00 H new ATOM 0 HZ2 LYS 2 50 0.442 6.931 4.621 1.00 0.00 H new ATOM 0 HZ3 LYS 2 50 1.228 5.444 4.390 1.00 0.00 H new ATOM 1624 N PRO 2 51 -4.813 6.868 -1.801 1.00 0.00 N ATOM 1625 CA PRO 2 51 -6.095 6.945 -2.481 1.00 0.00 C ATOM 1626 C PRO 2 51 -6.700 5.553 -2.671 1.00 0.00 C ATOM 1627 O PRO 2 51 -7.201 4.955 -1.720 1.00 0.00 O ATOM 1628 CB PRO 2 51 -5.801 7.649 -3.795 1.00 0.00 C ATOM 1629 CG PRO 2 51 -4.302 7.524 -4.009 1.00 0.00 C ATOM 1630 CD PRO 2 51 -3.678 7.078 -2.696 1.00 0.00 C ATOM 0 HA PRO 2 51 -6.842 7.494 -1.908 1.00 0.00 H new ATOM 0 HB2 PRO 2 51 -6.352 7.190 -4.616 1.00 0.00 H new ATOM 0 HB3 PRO 2 51 -6.104 8.695 -3.754 1.00 0.00 H new ATOM 0 HG2 PRO 2 51 -4.088 6.803 -4.798 1.00 0.00 H new ATOM 0 HG3 PRO 2 51 -3.881 8.478 -4.327 1.00 0.00 H new ATOM 0 HD2 PRO 2 51 -3.099 6.163 -2.823 1.00 0.00 H new ATOM 0 HD3 PRO 2 51 -2.998 7.834 -2.303 1.00 0.00 H new ATOM 1638 N LEU 2 52 -6.633 5.077 -3.906 1.00 0.00 N ATOM 1639 CA LEU 2 52 -7.168 3.767 -4.233 1.00 0.00 C ATOM 1640 C LEU 2 52 -6.032 2.742 -4.234 1.00 0.00 C ATOM 1641 O LEU 2 52 -6.014 1.830 -5.058 1.00 0.00 O ATOM 1642 CB LEU 2 52 -7.950 3.819 -5.547 1.00 0.00 C ATOM 1643 CG LEU 2 52 -7.162 3.464 -6.810 1.00 0.00 C ATOM 1644 CD1 LEU 2 52 -7.579 2.093 -7.349 1.00 0.00 C ATOM 1645 CD2 LEU 2 52 -7.298 4.560 -7.868 1.00 0.00 C ATOM 0 H LEU 2 52 -6.216 5.576 -4.692 1.00 0.00 H new ATOM 0 HA LEU 2 52 -7.884 3.449 -3.475 1.00 0.00 H new ATOM 0 HB2 LEU 2 52 -8.799 3.140 -5.469 1.00 0.00 H new ATOM 0 HB3 LEU 2 52 -8.356 4.824 -5.666 1.00 0.00 H new ATOM 0 HG LEU 2 52 -6.106 3.400 -6.547 1.00 0.00 H new ATOM 0 HD11 LEU 2 52 -7.004 1.865 -8.247 1.00 0.00 H new ATOM 0 HD12 LEU 2 52 -7.389 1.331 -6.593 1.00 0.00 H new ATOM 0 HD13 LEU 2 52 -8.641 2.105 -7.592 1.00 0.00 H new ATOM 0 HD21 LEU 2 52 -6.728 4.282 -8.755 1.00 0.00 H new ATOM 0 HD22 LEU 2 52 -8.348 4.680 -8.134 1.00 0.00 H new ATOM 0 HD23 LEU 2 52 -6.915 5.499 -7.470 1.00 0.00 H new ATOM 1657 N GLN 2 53 -5.110 2.928 -3.299 1.00 0.00 N ATOM 1658 CA GLN 2 53 -3.972 2.031 -3.182 1.00 0.00 C ATOM 1659 C GLN 2 53 -4.425 0.577 -3.334 1.00 0.00 C ATOM 1660 O GLN 2 53 -3.634 -0.286 -3.712 1.00 0.00 O ATOM 1661 CB GLN 2 53 -3.244 2.241 -1.853 1.00 0.00 C ATOM 1662 CG GLN 2 53 -2.588 3.623 -1.802 1.00 0.00 C ATOM 1663 CD GLN 2 53 -1.638 3.824 -2.984 1.00 0.00 C ATOM 1664 OE1 GLN 2 53 -1.517 4.903 -3.541 1.00 0.00 O ATOM 1665 NE2 GLN 2 53 -0.972 2.727 -3.336 1.00 0.00 N ATOM 0 H GLN 2 53 -5.128 3.686 -2.616 1.00 0.00 H new ATOM 0 HA GLN 2 53 -3.270 2.259 -3.984 1.00 0.00 H new ATOM 0 HB2 GLN 2 53 -3.948 2.138 -1.028 1.00 0.00 H new ATOM 0 HB3 GLN 2 53 -2.486 1.469 -1.723 1.00 0.00 H new ATOM 0 HG2 GLN 2 53 -3.357 4.395 -1.814 1.00 0.00 H new ATOM 0 HG3 GLN 2 53 -2.039 3.734 -0.867 1.00 0.00 H new ATOM 0 HE21 GLN 2 53 -1.120 1.855 -2.827 1.00 0.00 H new ATOM 0 HE22 GLN 2 53 -0.313 2.758 -4.114 1.00 0.00 H new ATOM 1674 N GLU 2 54 -5.696 0.351 -3.033 1.00 0.00 N ATOM 1675 CA GLU 2 54 -6.262 -0.983 -3.132 1.00 0.00 C ATOM 1676 C GLU 2 54 -5.737 -1.692 -4.382 1.00 0.00 C ATOM 1677 O GLU 2 54 -5.669 -2.919 -4.422 1.00 0.00 O ATOM 1678 CB GLU 2 54 -7.791 -0.930 -3.134 1.00 0.00 C ATOM 1679 CG GLU 2 54 -8.315 -0.224 -4.386 1.00 0.00 C ATOM 1680 CD GLU 2 54 -9.695 -0.755 -4.778 1.00 0.00 C ATOM 1681 OE1 GLU 2 54 -10.450 -1.112 -3.849 1.00 0.00 O ATOM 1682 OE2 GLU 2 54 -9.963 -0.791 -5.999 1.00 0.00 O ATOM 0 H GLU 2 54 -6.349 1.069 -2.721 1.00 0.00 H new ATOM 0 HA GLU 2 54 -5.951 -1.554 -2.257 1.00 0.00 H new ATOM 0 HB2 GLU 2 54 -8.193 -1.942 -3.088 1.00 0.00 H new ATOM 0 HB3 GLU 2 54 -8.141 -0.407 -2.244 1.00 0.00 H new ATOM 0 HG2 GLU 2 54 -8.372 0.849 -4.205 1.00 0.00 H new ATOM 0 HG3 GLU 2 54 -7.617 -0.372 -5.210 1.00 0.00 H new ATOM 1689 N ALA 2 55 -5.379 -0.887 -5.373 1.00 0.00 N ATOM 1690 CA ALA 2 55 -4.861 -1.423 -6.621 1.00 0.00 C ATOM 1691 C ALA 2 55 -3.970 -2.631 -6.323 1.00 0.00 C ATOM 1692 O ALA 2 55 -4.396 -3.773 -6.481 1.00 0.00 O ATOM 1693 CB ALA 2 55 -4.117 -0.322 -7.379 1.00 0.00 C ATOM 0 H ALA 2 55 -5.437 0.131 -5.337 1.00 0.00 H new ATOM 0 HA ALA 2 55 -5.676 -1.765 -7.259 1.00 0.00 H new ATOM 0 HB1 ALA 2 55 -3.728 -0.723 -8.315 1.00 0.00 H new ATOM 0 HB2 ALA 2 55 -4.801 0.499 -7.593 1.00 0.00 H new ATOM 0 HB3 ALA 2 55 -3.290 0.044 -6.770 1.00 0.00 H new ATOM 1699 N GLU 2 56 -2.751 -2.336 -5.897 1.00 0.00 N ATOM 1700 CA GLU 2 56 -1.796 -3.383 -5.576 1.00 0.00 C ATOM 1701 C GLU 2 56 -1.391 -3.297 -4.103 1.00 0.00 C ATOM 1702 O GLU 2 56 -0.333 -3.794 -3.717 1.00 0.00 O ATOM 1703 CB GLU 2 56 -0.570 -3.307 -6.488 1.00 0.00 C ATOM 1704 CG GLU 2 56 -0.611 -4.404 -7.553 1.00 0.00 C ATOM 1705 CD GLU 2 56 -0.023 -3.907 -8.875 1.00 0.00 C ATOM 1706 OE1 GLU 2 56 0.931 -3.102 -8.805 1.00 0.00 O ATOM 1707 OE2 GLU 2 56 -0.542 -4.341 -9.926 1.00 0.00 O ATOM 0 H GLU 2 56 -2.402 -1.386 -5.767 1.00 0.00 H new ATOM 0 HA GLU 2 56 -2.273 -4.348 -5.746 1.00 0.00 H new ATOM 0 HB2 GLU 2 56 -0.530 -2.330 -6.969 1.00 0.00 H new ATOM 0 HB3 GLU 2 56 0.338 -3.407 -5.893 1.00 0.00 H new ATOM 0 HG2 GLU 2 56 -0.052 -5.273 -7.206 1.00 0.00 H new ATOM 0 HG3 GLU 2 56 -1.640 -4.728 -7.708 1.00 0.00 H new ATOM 1714 N CYS 2 57 -2.253 -2.664 -3.321 1.00 0.00 N ATOM 1715 CA CYS 2 57 -1.997 -2.507 -1.899 1.00 0.00 C ATOM 1716 C CYS 2 57 -2.777 -3.588 -1.148 1.00 0.00 C ATOM 1717 O CYS 2 57 -2.190 -4.543 -0.642 1.00 0.00 O ATOM 1718 CB CYS 2 57 -2.356 -1.102 -1.412 1.00 0.00 C ATOM 1719 SG CYS 2 57 -1.583 -0.619 0.176 1.00 0.00 S ATOM 0 H CYS 2 57 -3.129 -2.254 -3.645 1.00 0.00 H new ATOM 0 HA CYS 2 57 -0.932 -2.627 -1.703 1.00 0.00 H new ATOM 0 HB2 CYS 2 57 -2.063 -0.382 -2.176 1.00 0.00 H new ATOM 0 HB3 CYS 2 57 -3.439 -1.034 -1.308 1.00 0.00 H new ATOM 1724 N THR 2 58 -4.088 -3.401 -1.101 1.00 0.00 N ATOM 1725 CA THR 2 58 -4.954 -4.349 -0.421 1.00 0.00 C ATOM 1726 C THR 2 58 -4.608 -5.781 -0.834 1.00 0.00 C ATOM 1727 O THR 2 58 -4.791 -6.716 -0.057 1.00 0.00 O ATOM 1728 CB THR 2 58 -6.404 -3.964 -0.721 1.00 0.00 C ATOM 1729 OG1 THR 2 58 -7.169 -4.761 0.180 1.00 0.00 O ATOM 1730 CG2 THR 2 58 -6.858 -4.429 -2.106 1.00 0.00 C ATOM 0 H THR 2 58 -4.571 -2.608 -1.522 1.00 0.00 H new ATOM 0 HA THR 2 58 -4.809 -4.312 0.659 1.00 0.00 H new ATOM 0 HB THR 2 58 -6.515 -2.882 -0.646 1.00 0.00 H new ATOM 0 HG1 THR 2 58 -8.123 -4.573 0.054 1.00 0.00 H new ATOM 0 HG21 THR 2 58 -7.894 -4.131 -2.269 1.00 0.00 H new ATOM 0 HG22 THR 2 58 -6.225 -3.974 -2.868 1.00 0.00 H new ATOM 0 HG23 THR 2 58 -6.779 -5.514 -2.169 1.00 0.00 H new ATOM 1738 N PHE 2 59 -4.112 -5.906 -2.056 1.00 0.00 N ATOM 1739 CA PHE 2 59 -3.738 -7.209 -2.582 1.00 0.00 C ATOM 1740 C PHE 2 59 -2.388 -7.659 -2.019 1.00 0.00 C ATOM 1741 O PHE 2 59 -1.836 -8.667 -2.456 1.00 0.00 O ATOM 1742 CB PHE 2 59 -3.620 -7.061 -4.100 1.00 0.00 C ATOM 1743 CG PHE 2 59 -4.906 -7.393 -4.859 1.00 0.00 C ATOM 1744 CD1 PHE 2 59 -5.899 -6.468 -4.953 1.00 0.00 C ATOM 1745 CD2 PHE 2 59 -5.056 -8.613 -5.440 1.00 0.00 C ATOM 1746 CE1 PHE 2 59 -7.093 -6.776 -5.657 1.00 0.00 C ATOM 1747 CE2 PHE 2 59 -6.251 -8.921 -6.145 1.00 0.00 C ATOM 1748 CZ PHE 2 59 -7.243 -7.996 -6.238 1.00 0.00 C ATOM 0 H PHE 2 59 -3.960 -5.127 -2.697 1.00 0.00 H new ATOM 0 HA PHE 2 59 -4.485 -7.952 -2.303 1.00 0.00 H new ATOM 0 HB2 PHE 2 59 -3.326 -6.038 -4.333 1.00 0.00 H new ATOM 0 HB3 PHE 2 59 -2.821 -7.711 -4.457 1.00 0.00 H new ATOM 0 HD1 PHE 2 59 -5.779 -5.499 -4.492 1.00 0.00 H new ATOM 0 HD2 PHE 2 59 -4.268 -9.347 -5.366 1.00 0.00 H new ATOM 0 HE1 PHE 2 59 -7.881 -6.042 -5.731 1.00 0.00 H new ATOM 0 HE2 PHE 2 59 -6.371 -9.890 -6.607 1.00 0.00 H new ATOM 0 HZ PHE 2 59 -8.151 -8.230 -6.774 1.00 0.00 H new TER 1758 PHE 2 59