USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=25 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 Set 1.1: 2 11 CYS SG : rot -120:sc= -20! USER MOD Set 1.2: 2 37 CYS SG : rot 149:sc= -11.8! USER MOD Single : 1 1 GLU N :NH3+ 179:sc= -0.16 (180deg=-0.17) USER MOD Single : 1 3 TYR OH : rot 180:sc= 0 USER MOD Single : 1 7 SER OG : rot 130:sc= 1.08 USER MOD Single : 1 9 ASN :FLIP amide:sc= -1.64 F(o=-4.1!,f=-1.6) USER MOD Single : 1 10 GLN : amide:sc= -21.2! C(o=-21!,f=-21!) USER MOD Single : 1 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 23 TYR OH : rot 60:sc= -0.715 USER MOD Single : 1 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : 1 27 THR OG1 : rot 56:sc= 0.224 USER MOD Single : 1 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 32 ASN :FLIP amide:sc= -0.228 F(o=-2.2,f=-0.23) USER MOD Single : 1 33 ASN : amide:sc= -0.0787 K(o=-0.079,f=-1.9!) USER MOD Single : 1 40 SER OG : rot 180:sc= -0.27 USER MOD Single : 1 50 LYS NZ :NH3+ -156:sc= -1.26 (180deg=-2.12!) USER MOD Single : 1 53 GLN : amide:sc= -10.4! C(o=-10!,f=-15!) USER MOD Single : 1 58 THR OG1 : rot -140:sc= -1.23 USER MOD Single : 2 1 GLU N :NH3+ -177:sc= 1.37 (180deg=1.31) USER MOD Single : 2 3 TYR OH : rot 180:sc= 0 USER MOD Single : 2 7 SER OG : rot 180:sc= 0.203 USER MOD Single : 2 9 ASN :FLIP amide:sc= -0.312 F(o=-1.1,f=-0.31) USER MOD Single : 2 10 GLN :FLIP amide:sc= -6.49! C(o=-8.8!,f=-6.5!) USER MOD Single : 2 16 LYS NZ :NH3+ 150:sc= 0.00503 (180deg=0) USER MOD Single : 2 23 TYR OH : rot -93:sc= -0.572 USER MOD Single : 2 25 HIS : no HE2:sc= 0.0732 X(o=0.073,f=-0.38) USER MOD Single : 2 27 THR OG1 : rot 180:sc= -0.0223 USER MOD Single : 2 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 2 32 ASN :FLIP amide:sc= -0.0439 F(o=-1.4,f=-0.044) USER MOD Single : 2 33 ASN : amide:sc= -0.0694 K(o=-0.069,f=-1.8!) USER MOD Single : 2 40 SER OG : rot 175:sc= -0.319 USER MOD Single : 2 50 LYS NZ :NH3+ -154:sc= -1.02 (180deg=-1.67) USER MOD Single : 2 53 GLN : amide:sc= -16.3! C(o=-16!,f=-24!) USER MOD Single : 2 58 THR OG1 : rot 180:sc= -1.24 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU 1 1 -16.091 -11.260 -5.394 1.00 0.00 N ATOM 2 CA GLU 1 1 -16.202 -10.067 -4.573 1.00 0.00 C ATOM 3 C GLU 1 1 -15.992 -10.416 -3.098 1.00 0.00 C ATOM 4 O GLU 1 1 -16.050 -9.542 -2.234 1.00 0.00 O ATOM 5 CB GLU 1 1 -17.551 -9.378 -4.786 1.00 0.00 C ATOM 6 CG GLU 1 1 -17.583 -8.010 -4.102 1.00 0.00 C ATOM 7 CD GLU 1 1 -18.138 -6.939 -5.045 1.00 0.00 C ATOM 8 OE1 GLU 1 1 -17.490 -6.712 -6.090 1.00 0.00 O ATOM 9 OE2 GLU 1 1 -19.197 -6.373 -4.698 1.00 0.00 O ATOM 0 H1 GLU 1 1 -16.252 -11.012 -6.391 1.00 0.00 H new ATOM 0 H2 GLU 1 1 -15.140 -11.667 -5.288 1.00 0.00 H new ATOM 0 H3 GLU 1 1 -16.801 -11.957 -5.092 1.00 0.00 H new ATOM 0 HA GLU 1 1 -15.422 -9.368 -4.876 1.00 0.00 H new ATOM 0 HB2 GLU 1 1 -17.738 -9.259 -5.853 1.00 0.00 H new ATOM 0 HB3 GLU 1 1 -18.350 -10.005 -4.390 1.00 0.00 H new ATOM 0 HG2 GLU 1 1 -18.198 -8.063 -3.204 1.00 0.00 H new ATOM 0 HG3 GLU 1 1 -16.577 -7.734 -3.784 1.00 0.00 H new ATOM 16 N GLU 1 2 -15.751 -11.696 -2.855 1.00 0.00 N ATOM 17 CA GLU 1 2 -15.531 -12.172 -1.499 1.00 0.00 C ATOM 18 C GLU 1 2 -14.071 -11.961 -1.092 1.00 0.00 C ATOM 19 O GLU 1 2 -13.298 -12.916 -1.026 1.00 0.00 O ATOM 20 CB GLU 1 2 -15.932 -13.642 -1.362 1.00 0.00 C ATOM 21 CG GLU 1 2 -16.643 -13.894 -0.031 1.00 0.00 C ATOM 22 CD GLU 1 2 -17.899 -14.745 -0.234 1.00 0.00 C ATOM 23 OE1 GLU 1 2 -17.921 -15.498 -1.230 1.00 0.00 O ATOM 24 OE2 GLU 1 2 -18.810 -14.621 0.614 1.00 0.00 O ATOM 0 H GLU 1 2 -15.703 -12.418 -3.574 1.00 0.00 H new ATOM 0 HA GLU 1 2 -16.162 -11.593 -0.825 1.00 0.00 H new ATOM 0 HB2 GLU 1 2 -16.587 -13.923 -2.187 1.00 0.00 H new ATOM 0 HB3 GLU 1 2 -15.045 -14.272 -1.430 1.00 0.00 H new ATOM 0 HG2 GLU 1 2 -15.965 -14.398 0.658 1.00 0.00 H new ATOM 0 HG3 GLU 1 2 -16.914 -12.943 0.427 1.00 0.00 H new ATOM 31 N TYR 1 3 -13.739 -10.706 -0.832 1.00 0.00 N ATOM 32 CA TYR 1 3 -12.384 -10.358 -0.433 1.00 0.00 C ATOM 33 C TYR 1 3 -11.940 -11.183 0.776 1.00 0.00 C ATOM 34 O TYR 1 3 -12.083 -10.744 1.917 1.00 0.00 O ATOM 35 CB TYR 1 3 -12.427 -8.880 -0.040 1.00 0.00 C ATOM 36 CG TYR 1 3 -11.908 -7.933 -1.125 1.00 0.00 C ATOM 37 CD1 TYR 1 3 -12.101 -8.238 -2.456 1.00 0.00 C ATOM 38 CD2 TYR 1 3 -11.249 -6.774 -0.770 1.00 0.00 C ATOM 39 CE1 TYR 1 3 -11.613 -7.346 -3.477 1.00 0.00 C ATOM 40 CE2 TYR 1 3 -10.760 -5.882 -1.790 1.00 0.00 C ATOM 41 CZ TYR 1 3 -10.966 -6.213 -3.093 1.00 0.00 C ATOM 42 OH TYR 1 3 -10.505 -5.371 -4.057 1.00 0.00 O ATOM 0 H TYR 1 3 -14.383 -9.917 -0.889 1.00 0.00 H new ATOM 0 HA TYR 1 3 -11.682 -10.555 -1.244 1.00 0.00 H new ATOM 0 HB2 TYR 1 3 -13.454 -8.609 0.204 1.00 0.00 H new ATOM 0 HB3 TYR 1 3 -11.837 -8.738 0.865 1.00 0.00 H new ATOM 0 HD1 TYR 1 3 -12.618 -9.145 -2.733 1.00 0.00 H new ATOM 0 HD2 TYR 1 3 -11.100 -6.535 0.273 1.00 0.00 H new ATOM 0 HE1 TYR 1 3 -11.758 -7.572 -4.523 1.00 0.00 H new ATOM 0 HE2 TYR 1 3 -10.242 -4.972 -1.526 1.00 0.00 H new ATOM 0 HH TYR 1 3 -10.065 -4.603 -3.637 1.00 0.00 H new ATOM 52 N VAL 1 4 -11.409 -12.361 0.486 1.00 0.00 N ATOM 53 CA VAL 1 4 -10.943 -13.251 1.536 1.00 0.00 C ATOM 54 C VAL 1 4 -9.421 -13.386 1.446 1.00 0.00 C ATOM 55 O VAL 1 4 -8.715 -13.150 2.424 1.00 0.00 O ATOM 56 CB VAL 1 4 -11.669 -14.594 1.444 1.00 0.00 C ATOM 57 CG1 VAL 1 4 -13.176 -14.418 1.637 1.00 0.00 C ATOM 58 CG2 VAL 1 4 -11.363 -15.293 0.118 1.00 0.00 C ATOM 0 H VAL 1 4 -11.291 -12.720 -0.461 1.00 0.00 H new ATOM 0 HA VAL 1 4 -11.175 -12.838 2.518 1.00 0.00 H new ATOM 0 HB VAL 1 4 -11.301 -15.229 2.250 1.00 0.00 H new ATOM 0 HG11 VAL 1 4 -13.668 -15.388 1.567 1.00 0.00 H new ATOM 0 HG12 VAL 1 4 -13.369 -13.984 2.618 1.00 0.00 H new ATOM 0 HG13 VAL 1 4 -13.567 -13.756 0.864 1.00 0.00 H new ATOM 0 HG21 VAL 1 4 -11.892 -16.245 0.078 1.00 0.00 H new ATOM 0 HG22 VAL 1 4 -11.689 -14.663 -0.709 1.00 0.00 H new ATOM 0 HG23 VAL 1 4 -10.290 -15.470 0.039 1.00 0.00 H new ATOM 68 N GLY 1 5 -8.962 -13.765 0.263 1.00 0.00 N ATOM 69 CA GLY 1 5 -7.538 -13.934 0.032 1.00 0.00 C ATOM 70 C GLY 1 5 -6.825 -12.581 -0.014 1.00 0.00 C ATOM 71 O GLY 1 5 -5.624 -12.516 -0.269 1.00 0.00 O ATOM 0 H GLY 1 5 -9.551 -13.960 -0.546 1.00 0.00 H new ATOM 0 HA2 GLY 1 5 -7.108 -14.549 0.823 1.00 0.00 H new ATOM 0 HA3 GLY 1 5 -7.379 -14.465 -0.907 1.00 0.00 H new ATOM 75 N LEU 1 6 -7.597 -11.533 0.236 1.00 0.00 N ATOM 76 CA LEU 1 6 -7.055 -10.186 0.227 1.00 0.00 C ATOM 77 C LEU 1 6 -7.630 -9.401 1.408 1.00 0.00 C ATOM 78 O LEU 1 6 -7.559 -8.173 1.435 1.00 0.00 O ATOM 79 CB LEU 1 6 -7.296 -9.520 -1.129 1.00 0.00 C ATOM 80 CG LEU 1 6 -7.670 -10.457 -2.279 1.00 0.00 C ATOM 81 CD1 LEU 1 6 -9.000 -11.162 -2.001 1.00 0.00 C ATOM 82 CD2 LEU 1 6 -7.686 -9.710 -3.614 1.00 0.00 C ATOM 0 H LEU 1 6 -8.594 -11.590 0.446 1.00 0.00 H new ATOM 0 HA LEU 1 6 -5.973 -10.211 0.356 1.00 0.00 H new ATOM 0 HB2 LEU 1 6 -8.091 -8.783 -1.014 1.00 0.00 H new ATOM 0 HB3 LEU 1 6 -6.395 -8.975 -1.409 1.00 0.00 H new ATOM 0 HG LEU 1 6 -6.904 -11.229 -2.352 1.00 0.00 H new ATOM 0 HD11 LEU 1 6 -9.243 -11.822 -2.834 1.00 0.00 H new ATOM 0 HD12 LEU 1 6 -8.917 -11.748 -1.086 1.00 0.00 H new ATOM 0 HD13 LEU 1 6 -9.789 -10.419 -1.885 1.00 0.00 H new ATOM 0 HD21 LEU 1 6 -7.955 -10.400 -4.414 1.00 0.00 H new ATOM 0 HD22 LEU 1 6 -8.417 -8.903 -3.570 1.00 0.00 H new ATOM 0 HD23 LEU 1 6 -6.698 -9.294 -3.810 1.00 0.00 H new ATOM 94 N SER 1 7 -8.185 -10.142 2.356 1.00 0.00 N ATOM 95 CA SER 1 7 -8.772 -9.531 3.536 1.00 0.00 C ATOM 96 C SER 1 7 -7.850 -9.729 4.740 1.00 0.00 C ATOM 97 O SER 1 7 -6.700 -10.139 4.586 1.00 0.00 O ATOM 98 CB SER 1 7 -10.157 -10.112 3.826 1.00 0.00 C ATOM 99 OG SER 1 7 -11.197 -9.177 3.551 1.00 0.00 O ATOM 0 H SER 1 7 -8.240 -11.160 2.331 1.00 0.00 H new ATOM 0 HA SER 1 7 -8.889 -8.464 3.347 1.00 0.00 H new ATOM 0 HB2 SER 1 7 -10.307 -11.008 3.224 1.00 0.00 H new ATOM 0 HB3 SER 1 7 -10.211 -10.417 4.871 1.00 0.00 H new ATOM 0 HG SER 1 7 -11.875 -9.600 2.984 1.00 0.00 H new ATOM 105 N ALA 1 8 -8.388 -9.429 5.914 1.00 0.00 N ATOM 106 CA ALA 1 8 -7.629 -9.569 7.144 1.00 0.00 C ATOM 107 C ALA 1 8 -7.330 -11.051 7.388 1.00 0.00 C ATOM 108 O ALA 1 8 -8.106 -11.743 8.047 1.00 0.00 O ATOM 109 CB ALA 1 8 -8.404 -8.932 8.299 1.00 0.00 C ATOM 0 H ALA 1 8 -9.342 -9.089 6.038 1.00 0.00 H new ATOM 0 HA ALA 1 8 -6.674 -9.048 7.067 1.00 0.00 H new ATOM 0 HB1 ALA 1 8 -7.834 -9.038 9.222 1.00 0.00 H new ATOM 0 HB2 ALA 1 8 -8.564 -7.874 8.090 1.00 0.00 H new ATOM 0 HB3 ALA 1 8 -9.367 -9.430 8.409 1.00 0.00 H new ATOM 115 N ASN 1 9 -6.206 -11.492 6.846 1.00 0.00 N ATOM 116 CA ASN 1 9 -5.796 -12.879 6.996 1.00 0.00 C ATOM 117 C ASN 1 9 -4.879 -13.264 5.835 1.00 0.00 C ATOM 118 O ASN 1 9 -4.091 -14.203 5.946 1.00 0.00 O ATOM 119 CB ASN 1 9 -7.005 -13.816 6.976 1.00 0.00 C ATOM 120 CG ASN 1 9 -6.566 -15.280 7.048 1.00 0.00 C ATOM 121 OD1 ASN 1 9 -6.038 -15.741 5.918 1.00 0.00 O flip ATOM 122 ND2 ASN 1 9 -6.697 -15.945 8.062 1.00 0.00 N flip ATOM 0 H ASN 1 9 -5.565 -10.914 6.302 1.00 0.00 H new ATOM 0 HA ASN 1 9 -5.281 -12.977 7.951 1.00 0.00 H new ATOM 0 HB2 ASN 1 9 -7.660 -13.588 7.816 1.00 0.00 H new ATOM 0 HB3 ASN 1 9 -7.583 -13.650 6.067 1.00 0.00 H new ATOM 0 HD21 ASN 1 9 -7.111 -15.528 8.896 1.00 0.00 H new ATOM 0 HD22 ASN 1 9 -6.393 -16.918 8.076 1.00 0.00 H new ATOM 129 N GLN 1 10 -5.012 -12.521 4.746 1.00 0.00 N ATOM 130 CA GLN 1 10 -4.205 -12.773 3.564 1.00 0.00 C ATOM 131 C GLN 1 10 -2.717 -12.698 3.912 1.00 0.00 C ATOM 132 O GLN 1 10 -1.914 -13.470 3.389 1.00 0.00 O ATOM 133 CB GLN 1 10 -4.556 -11.795 2.441 1.00 0.00 C ATOM 134 CG GLN 1 10 -3.707 -10.525 2.535 1.00 0.00 C ATOM 135 CD GLN 1 10 -4.106 -9.517 1.456 1.00 0.00 C ATOM 136 OE1 GLN 1 10 -5.044 -8.750 1.604 1.00 0.00 O ATOM 137 NE2 GLN 1 10 -3.347 -9.561 0.365 1.00 0.00 N ATOM 0 H GLN 1 10 -5.667 -11.744 4.657 1.00 0.00 H new ATOM 0 HA GLN 1 10 -4.424 -13.779 3.206 1.00 0.00 H new ATOM 0 HB2 GLN 1 10 -4.396 -12.273 1.474 1.00 0.00 H new ATOM 0 HB3 GLN 1 10 -5.613 -11.535 2.497 1.00 0.00 H new ATOM 0 HG2 GLN 1 10 -3.828 -10.075 3.520 1.00 0.00 H new ATOM 0 HG3 GLN 1 10 -2.653 -10.780 2.428 1.00 0.00 H new ATOM 0 HE21 GLN 1 10 -2.577 -10.227 0.306 1.00 0.00 H new ATOM 0 HE22 GLN 1 10 -3.535 -8.928 -0.413 1.00 0.00 H new ATOM 146 N CYS 1 11 -2.393 -11.761 4.792 1.00 0.00 N ATOM 147 CA CYS 1 11 -1.017 -11.576 5.214 1.00 0.00 C ATOM 148 C CYS 1 11 -0.534 -12.874 5.865 1.00 0.00 C ATOM 149 O CYS 1 11 0.659 -13.045 6.109 1.00 0.00 O ATOM 150 CB CYS 1 11 -0.870 -10.378 6.155 1.00 0.00 C ATOM 151 SG CYS 1 11 0.803 -10.158 6.864 1.00 0.00 S ATOM 0 H CYS 1 11 -3.061 -11.122 5.224 1.00 0.00 H new ATOM 0 HA CYS 1 11 -0.396 -11.353 4.347 1.00 0.00 H new ATOM 0 HB2 CYS 1 11 -1.141 -9.472 5.612 1.00 0.00 H new ATOM 0 HB3 CYS 1 11 -1.584 -10.486 6.972 1.00 0.00 H new ATOM 156 N ALA 1 12 -1.487 -13.757 6.126 1.00 0.00 N ATOM 157 CA ALA 1 12 -1.174 -15.035 6.743 1.00 0.00 C ATOM 158 C ALA 1 12 -1.055 -16.105 5.655 1.00 0.00 C ATOM 159 O ALA 1 12 -1.110 -17.299 5.947 1.00 0.00 O ATOM 160 CB ALA 1 12 -2.245 -15.376 7.781 1.00 0.00 C ATOM 0 H ALA 1 12 -2.476 -13.613 5.922 1.00 0.00 H new ATOM 0 HA ALA 1 12 -0.218 -14.986 7.264 1.00 0.00 H new ATOM 0 HB1 ALA 1 12 -2.011 -16.335 8.244 1.00 0.00 H new ATOM 0 HB2 ALA 1 12 -2.270 -14.600 8.546 1.00 0.00 H new ATOM 0 HB3 ALA 1 12 -3.218 -15.437 7.293 1.00 0.00 H new ATOM 166 N VAL 1 13 -0.892 -15.639 4.427 1.00 0.00 N ATOM 167 CA VAL 1 13 -0.764 -16.541 3.294 1.00 0.00 C ATOM 168 C VAL 1 13 0.284 -17.608 3.614 1.00 0.00 C ATOM 169 O VAL 1 13 1.040 -17.473 4.576 1.00 0.00 O ATOM 170 CB VAL 1 13 -0.441 -15.747 2.027 1.00 0.00 C ATOM 171 CG1 VAL 1 13 1.008 -15.973 1.594 1.00 0.00 C ATOM 172 CG2 VAL 1 13 -1.412 -16.100 0.898 1.00 0.00 C ATOM 0 H VAL 1 13 -0.845 -14.648 4.190 1.00 0.00 H new ATOM 0 HA VAL 1 13 -1.706 -17.056 3.107 1.00 0.00 H new ATOM 0 HB VAL 1 13 -0.561 -14.688 2.254 1.00 0.00 H new ATOM 0 HG11 VAL 1 13 1.212 -15.397 0.691 1.00 0.00 H new ATOM 0 HG12 VAL 1 13 1.680 -15.651 2.389 1.00 0.00 H new ATOM 0 HG13 VAL 1 13 1.166 -17.032 1.392 1.00 0.00 H new ATOM 0 HG21 VAL 1 13 -1.161 -15.522 0.008 1.00 0.00 H new ATOM 0 HG22 VAL 1 13 -1.337 -17.164 0.673 1.00 0.00 H new ATOM 0 HG23 VAL 1 13 -2.431 -15.866 1.208 1.00 0.00 H new ATOM 182 N PRO 1 14 0.297 -18.674 2.769 1.00 0.00 N ATOM 183 CA PRO 1 14 1.241 -19.763 2.953 1.00 0.00 C ATOM 184 C PRO 1 14 2.646 -19.351 2.511 1.00 0.00 C ATOM 185 O PRO 1 14 3.441 -20.192 2.095 1.00 0.00 O ATOM 186 CB PRO 1 14 0.675 -20.914 2.137 1.00 0.00 C ATOM 187 CG PRO 1 14 -0.308 -20.290 1.160 1.00 0.00 C ATOM 188 CD PRO 1 14 -0.582 -18.868 1.620 1.00 0.00 C ATOM 0 HA PRO 1 14 1.354 -20.050 3.998 1.00 0.00 H new ATOM 0 HB2 PRO 1 14 1.467 -21.444 1.608 1.00 0.00 H new ATOM 0 HB3 PRO 1 14 0.178 -21.641 2.780 1.00 0.00 H new ATOM 0 HG2 PRO 1 14 0.103 -20.292 0.151 1.00 0.00 H new ATOM 0 HG3 PRO 1 14 -1.233 -20.866 1.129 1.00 0.00 H new ATOM 0 HD2 PRO 1 14 -0.366 -18.148 0.831 1.00 0.00 H new ATOM 0 HD3 PRO 1 14 -1.628 -18.736 1.895 1.00 0.00 H new ATOM 196 N ALA 1 15 2.910 -18.058 2.618 1.00 0.00 N ATOM 197 CA ALA 1 15 4.207 -17.525 2.236 1.00 0.00 C ATOM 198 C ALA 1 15 4.611 -18.103 0.878 1.00 0.00 C ATOM 199 O ALA 1 15 5.617 -18.803 0.772 1.00 0.00 O ATOM 200 CB ALA 1 15 5.230 -17.834 3.330 1.00 0.00 C ATOM 0 H ALA 1 15 2.248 -17.363 2.964 1.00 0.00 H new ATOM 0 HA ALA 1 15 4.161 -16.441 2.132 1.00 0.00 H new ATOM 0 HB1 ALA 1 15 6.202 -17.434 3.042 1.00 0.00 H new ATOM 0 HB2 ALA 1 15 4.911 -17.375 4.266 1.00 0.00 H new ATOM 0 HB3 ALA 1 15 5.307 -18.913 3.462 1.00 0.00 H new ATOM 206 N LYS 1 16 3.806 -17.791 -0.126 1.00 0.00 N ATOM 207 CA LYS 1 16 4.067 -18.272 -1.472 1.00 0.00 C ATOM 208 C LYS 1 16 2.990 -17.737 -2.419 1.00 0.00 C ATOM 209 O LYS 1 16 2.585 -18.423 -3.356 1.00 0.00 O ATOM 210 CB LYS 1 16 4.190 -19.798 -1.482 1.00 0.00 C ATOM 211 CG LYS 1 16 2.974 -20.450 -0.820 1.00 0.00 C ATOM 212 CD LYS 1 16 2.267 -21.400 -1.787 1.00 0.00 C ATOM 213 CE LYS 1 16 2.925 -22.781 -1.782 1.00 0.00 C ATOM 214 NZ LYS 1 16 2.194 -23.707 -2.675 1.00 0.00 N ATOM 0 H LYS 1 16 2.972 -17.211 -0.035 1.00 0.00 H new ATOM 0 HA LYS 1 16 5.025 -17.895 -1.831 1.00 0.00 H new ATOM 0 HB2 LYS 1 16 4.283 -20.152 -2.509 1.00 0.00 H new ATOM 0 HB3 LYS 1 16 5.098 -20.097 -0.958 1.00 0.00 H new ATOM 0 HG2 LYS 1 16 3.289 -20.998 0.068 1.00 0.00 H new ATOM 0 HG3 LYS 1 16 2.279 -19.679 -0.489 1.00 0.00 H new ATOM 0 HD2 LYS 1 16 1.217 -21.493 -1.508 1.00 0.00 H new ATOM 0 HD3 LYS 1 16 2.294 -20.985 -2.794 1.00 0.00 H new ATOM 0 HE2 LYS 1 16 3.962 -22.697 -2.106 1.00 0.00 H new ATOM 0 HE3 LYS 1 16 2.939 -23.180 -0.768 1.00 0.00 H new ATOM 0 HZ1 LYS 1 16 2.654 -24.640 -2.660 1.00 0.00 H new ATOM 0 HZ2 LYS 1 16 1.211 -23.800 -2.349 1.00 0.00 H new ATOM 0 HZ3 LYS 1 16 2.203 -23.333 -3.645 1.00 0.00 H new ATOM 228 N ASP 1 17 2.558 -16.516 -2.141 1.00 0.00 N ATOM 229 CA ASP 1 17 1.537 -15.880 -2.955 1.00 0.00 C ATOM 230 C ASP 1 17 1.565 -14.369 -2.715 1.00 0.00 C ATOM 231 O ASP 1 17 0.599 -13.670 -3.015 1.00 0.00 O ATOM 232 CB ASP 1 17 0.142 -16.390 -2.588 1.00 0.00 C ATOM 233 CG ASP 1 17 -0.931 -16.168 -3.656 1.00 0.00 C ATOM 234 OD1 ASP 1 17 -0.777 -16.758 -4.746 1.00 0.00 O ATOM 235 OD2 ASP 1 17 -1.880 -15.412 -3.357 1.00 0.00 O ATOM 0 H ASP 1 17 2.897 -15.950 -1.363 1.00 0.00 H new ATOM 0 HA ASP 1 17 1.745 -16.116 -3.999 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 0.206 -17.457 -2.376 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 -0.177 -15.901 -1.668 1.00 0.00 H new ATOM 240 N ARG 1 18 2.685 -13.910 -2.175 1.00 0.00 N ATOM 241 CA ARG 1 18 2.852 -12.494 -1.891 1.00 0.00 C ATOM 242 C ARG 1 18 3.480 -11.783 -3.091 1.00 0.00 C ATOM 243 O ARG 1 18 3.925 -12.430 -4.037 1.00 0.00 O ATOM 244 CB ARG 1 18 3.737 -12.281 -0.660 1.00 0.00 C ATOM 245 CG ARG 1 18 3.266 -13.146 0.511 1.00 0.00 C ATOM 246 CD ARG 1 18 4.456 -13.691 1.303 1.00 0.00 C ATOM 247 NE ARG 1 18 3.995 -14.229 2.603 1.00 0.00 N ATOM 248 CZ ARG 1 18 4.809 -14.524 3.625 1.00 0.00 C ATOM 249 NH1 ARG 1 18 6.130 -14.335 3.506 1.00 0.00 N ATOM 250 NH2 ARG 1 18 4.302 -15.007 4.768 1.00 0.00 N ATOM 0 H ARG 1 18 3.485 -14.493 -1.927 1.00 0.00 H new ATOM 0 HA ARG 1 18 1.865 -12.076 -1.692 1.00 0.00 H new ATOM 0 HB2 ARG 1 18 4.771 -12.525 -0.904 1.00 0.00 H new ATOM 0 HB3 ARG 1 18 3.718 -11.230 -0.371 1.00 0.00 H new ATOM 0 HG2 ARG 1 18 2.626 -12.557 1.168 1.00 0.00 H new ATOM 0 HG3 ARG 1 18 2.664 -13.974 0.137 1.00 0.00 H new ATOM 0 HD2 ARG 1 18 4.955 -14.474 0.732 1.00 0.00 H new ATOM 0 HD3 ARG 1 18 5.188 -12.900 1.466 1.00 0.00 H new ATOM 0 HE ARG 1 18 2.995 -14.385 2.728 1.00 0.00 H new ATOM 0 HH11 ARG 1 18 6.516 -13.966 2.637 1.00 0.00 H new ATOM 0 HH12 ARG 1 18 6.750 -14.560 4.285 1.00 0.00 H new ATOM 0 HH21 ARG 1 18 3.296 -15.150 4.860 1.00 0.00 H new ATOM 0 HH22 ARG 1 18 4.922 -15.232 5.546 1.00 0.00 H new ATOM 264 N VAL 1 19 3.495 -10.460 -3.013 1.00 0.00 N ATOM 265 CA VAL 1 19 4.060 -9.654 -4.081 1.00 0.00 C ATOM 266 C VAL 1 19 5.503 -9.288 -3.729 1.00 0.00 C ATOM 267 O VAL 1 19 6.063 -8.347 -4.291 1.00 0.00 O ATOM 268 CB VAL 1 19 3.178 -8.429 -4.334 1.00 0.00 C ATOM 269 CG1 VAL 1 19 3.704 -7.610 -5.515 1.00 0.00 C ATOM 270 CG2 VAL 1 19 1.721 -8.840 -4.559 1.00 0.00 C ATOM 0 H VAL 1 19 3.125 -9.927 -2.226 1.00 0.00 H new ATOM 0 HA VAL 1 19 4.086 -10.219 -5.013 1.00 0.00 H new ATOM 0 HB VAL 1 19 3.216 -7.799 -3.445 1.00 0.00 H new ATOM 0 HG11 VAL 1 19 3.060 -6.745 -5.674 1.00 0.00 H new ATOM 0 HG12 VAL 1 19 4.718 -7.272 -5.301 1.00 0.00 H new ATOM 0 HG13 VAL 1 19 3.709 -8.228 -6.413 1.00 0.00 H new ATOM 0 HG21 VAL 1 19 1.115 -7.951 -4.736 1.00 0.00 H new ATOM 0 HG22 VAL 1 19 1.659 -9.500 -5.424 1.00 0.00 H new ATOM 0 HG23 VAL 1 19 1.350 -9.362 -3.677 1.00 0.00 H new ATOM 280 N ASP 1 20 6.064 -10.051 -2.802 1.00 0.00 N ATOM 281 CA ASP 1 20 7.432 -9.819 -2.369 1.00 0.00 C ATOM 282 C ASP 1 20 7.761 -8.332 -2.509 1.00 0.00 C ATOM 283 O ASP 1 20 8.302 -7.905 -3.528 1.00 0.00 O ATOM 284 CB ASP 1 20 8.423 -10.606 -3.230 1.00 0.00 C ATOM 285 CG ASP 1 20 9.818 -9.989 -3.336 1.00 0.00 C ATOM 286 OD1 ASP 1 20 10.532 -10.021 -2.311 1.00 0.00 O ATOM 287 OD2 ASP 1 20 10.139 -9.498 -4.441 1.00 0.00 O ATOM 0 H ASP 1 20 5.596 -10.830 -2.339 1.00 0.00 H new ATOM 0 HA ASP 1 20 7.518 -10.144 -1.332 1.00 0.00 H new ATOM 0 HB2 ASP 1 20 8.517 -11.612 -2.821 1.00 0.00 H new ATOM 0 HB3 ASP 1 20 8.009 -10.707 -4.233 1.00 0.00 H new ATOM 292 N CYS 1 21 7.421 -7.583 -1.470 1.00 0.00 N ATOM 293 CA CYS 1 21 7.674 -6.152 -1.464 1.00 0.00 C ATOM 294 C CYS 1 21 9.135 -5.921 -1.851 1.00 0.00 C ATOM 295 O CYS 1 21 9.455 -4.948 -2.532 1.00 0.00 O ATOM 296 CB CYS 1 21 7.336 -5.524 -0.111 1.00 0.00 C ATOM 297 SG CYS 1 21 6.553 -3.872 -0.206 1.00 0.00 S ATOM 0 H CYS 1 21 6.972 -7.940 -0.626 1.00 0.00 H new ATOM 0 HA CYS 1 21 7.025 -5.662 -2.190 1.00 0.00 H new ATOM 0 HB2 CYS 1 21 6.669 -6.196 0.429 1.00 0.00 H new ATOM 0 HB3 CYS 1 21 8.251 -5.444 0.475 1.00 0.00 H new ATOM 302 N GLY 1 22 9.985 -6.833 -1.401 1.00 0.00 N ATOM 303 CA GLY 1 22 11.405 -6.741 -1.693 1.00 0.00 C ATOM 304 C GLY 1 22 11.935 -5.336 -1.399 1.00 0.00 C ATOM 305 O GLY 1 22 12.403 -4.645 -2.303 1.00 0.00 O ATOM 0 H GLY 1 22 9.717 -7.639 -0.836 1.00 0.00 H new ATOM 0 HA2 GLY 1 22 11.951 -7.472 -1.096 1.00 0.00 H new ATOM 0 HA3 GLY 1 22 11.582 -6.989 -2.740 1.00 0.00 H new ATOM 309 N TYR 1 23 11.843 -4.956 -0.134 1.00 0.00 N ATOM 310 CA TYR 1 23 12.307 -3.645 0.290 1.00 0.00 C ATOM 311 C TYR 1 23 13.774 -3.696 0.722 1.00 0.00 C ATOM 312 O TYR 1 23 14.218 -4.682 1.308 1.00 0.00 O ATOM 313 CB TYR 1 23 11.446 -3.261 1.494 1.00 0.00 C ATOM 314 CG TYR 1 23 10.496 -2.091 1.231 1.00 0.00 C ATOM 315 CD1 TYR 1 23 10.935 -0.794 1.404 1.00 0.00 C ATOM 316 CD2 TYR 1 23 9.200 -2.332 0.823 1.00 0.00 C ATOM 317 CE1 TYR 1 23 10.041 0.308 1.157 1.00 0.00 C ATOM 318 CE2 TYR 1 23 8.306 -1.230 0.577 1.00 0.00 C ATOM 319 CZ TYR 1 23 8.770 0.035 0.756 1.00 0.00 C ATOM 320 OH TYR 1 23 7.926 1.076 0.522 1.00 0.00 O ATOM 0 H TYR 1 23 11.454 -5.533 0.612 1.00 0.00 H new ATOM 0 HA TYR 1 23 12.227 -2.927 -0.526 1.00 0.00 H new ATOM 0 HB2 TYR 1 23 10.862 -4.128 1.801 1.00 0.00 H new ATOM 0 HB3 TYR 1 23 12.099 -3.005 2.328 1.00 0.00 H new ATOM 0 HD1 TYR 1 23 11.949 -0.605 1.725 1.00 0.00 H new ATOM 0 HD2 TYR 1 23 8.856 -3.347 0.688 1.00 0.00 H new ATOM 0 HE1 TYR 1 23 10.372 1.328 1.287 1.00 0.00 H new ATOM 0 HE2 TYR 1 23 7.289 -1.405 0.257 1.00 0.00 H new ATOM 0 HH TYR 1 23 8.296 1.644 -0.186 1.00 0.00 H new ATOM 330 N PRO 1 24 14.504 -2.593 0.409 1.00 0.00 N ATOM 331 CA PRO 1 24 15.912 -2.502 0.759 1.00 0.00 C ATOM 332 C PRO 1 24 16.088 -2.237 2.255 1.00 0.00 C ATOM 333 O PRO 1 24 17.201 -2.309 2.775 1.00 0.00 O ATOM 334 CB PRO 1 24 16.463 -1.385 -0.112 1.00 0.00 C ATOM 335 CG PRO 1 24 15.257 -0.584 -0.575 1.00 0.00 C ATOM 336 CD PRO 1 24 14.013 -1.406 -0.284 1.00 0.00 C ATOM 0 HA PRO 1 24 16.452 -3.432 0.578 1.00 0.00 H new ATOM 0 HB2 PRO 1 24 17.156 -0.758 0.449 1.00 0.00 H new ATOM 0 HB3 PRO 1 24 17.014 -1.788 -0.962 1.00 0.00 H new ATOM 0 HG2 PRO 1 24 15.212 0.373 -0.056 1.00 0.00 H new ATOM 0 HG3 PRO 1 24 15.330 -0.366 -1.640 1.00 0.00 H new ATOM 0 HD2 PRO 1 24 13.308 -0.851 0.334 1.00 0.00 H new ATOM 0 HD3 PRO 1 24 13.491 -1.672 -1.203 1.00 0.00 H new ATOM 344 N HIS 1 25 14.975 -1.936 2.906 1.00 0.00 N ATOM 345 CA HIS 1 25 14.992 -1.660 4.332 1.00 0.00 C ATOM 346 C HIS 1 25 14.040 -2.618 5.052 1.00 0.00 C ATOM 347 O HIS 1 25 13.637 -2.362 6.186 1.00 0.00 O ATOM 348 CB HIS 1 25 14.671 -0.190 4.605 1.00 0.00 C ATOM 349 CG HIS 1 25 15.882 0.653 4.932 1.00 0.00 C ATOM 350 ND1 HIS 1 25 16.328 0.852 6.227 1.00 0.00 N ATOM 351 CD2 HIS 1 25 16.732 1.344 4.121 1.00 0.00 C ATOM 352 CE1 HIS 1 25 17.400 1.630 6.185 1.00 0.00 C ATOM 353 NE2 HIS 1 25 17.649 1.934 4.878 1.00 0.00 N ATOM 0 H HIS 1 25 14.054 -1.877 2.472 1.00 0.00 H new ATOM 0 HA HIS 1 25 15.993 -1.832 4.727 1.00 0.00 H new ATOM 0 HB2 HIS 1 25 14.173 0.231 3.731 1.00 0.00 H new ATOM 0 HB3 HIS 1 25 13.965 -0.131 5.434 1.00 0.00 H new ATOM 0 HD2 HIS 1 25 16.670 1.402 3.044 1.00 0.00 H new ATOM 0 HE1 HIS 1 25 17.975 1.965 7.035 1.00 0.00 H new ATOM 0 HE2 HIS 1 25 18.413 2.518 4.539 1.00 0.00 H new ATOM 362 N VAL 1 26 13.710 -3.701 4.365 1.00 0.00 N ATOM 363 CA VAL 1 26 12.814 -4.698 4.926 1.00 0.00 C ATOM 364 C VAL 1 26 13.145 -4.902 6.404 1.00 0.00 C ATOM 365 O VAL 1 26 14.294 -5.156 6.758 1.00 0.00 O ATOM 366 CB VAL 1 26 12.895 -5.991 4.111 1.00 0.00 C ATOM 367 CG1 VAL 1 26 14.351 -6.372 3.832 1.00 0.00 C ATOM 368 CG2 VAL 1 26 12.154 -7.130 4.815 1.00 0.00 C ATOM 0 H VAL 1 26 14.047 -3.910 3.425 1.00 0.00 H new ATOM 0 HA VAL 1 26 11.780 -4.357 4.869 1.00 0.00 H new ATOM 0 HB VAL 1 26 12.405 -5.816 3.153 1.00 0.00 H new ATOM 0 HG11 VAL 1 26 14.381 -7.294 3.252 1.00 0.00 H new ATOM 0 HG12 VAL 1 26 14.835 -5.573 3.270 1.00 0.00 H new ATOM 0 HG13 VAL 1 26 14.876 -6.520 4.776 1.00 0.00 H new ATOM 0 HG21 VAL 1 26 12.227 -8.037 4.215 1.00 0.00 H new ATOM 0 HG22 VAL 1 26 12.601 -7.305 5.793 1.00 0.00 H new ATOM 0 HG23 VAL 1 26 11.105 -6.860 4.939 1.00 0.00 H new ATOM 378 N THR 1 27 12.116 -4.783 7.231 1.00 0.00 N ATOM 379 CA THR 1 27 12.282 -4.950 8.664 1.00 0.00 C ATOM 380 C THR 1 27 10.924 -5.144 9.340 1.00 0.00 C ATOM 381 O THR 1 27 9.908 -4.648 8.854 1.00 0.00 O ATOM 382 CB THR 1 27 13.059 -3.743 9.194 1.00 0.00 C ATOM 383 OG1 THR 1 27 14.320 -4.283 9.579 1.00 0.00 O ATOM 384 CG2 THR 1 27 12.474 -3.197 10.498 1.00 0.00 C ATOM 0 H THR 1 27 11.163 -4.573 6.935 1.00 0.00 H new ATOM 0 HA THR 1 27 12.854 -5.849 8.894 1.00 0.00 H new ATOM 0 HB THR 1 27 13.064 -2.956 8.440 1.00 0.00 H new ATOM 0 HG1 THR 1 27 14.728 -4.739 8.814 1.00 0.00 H new ATOM 0 HG21 THR 1 27 13.062 -2.342 10.831 1.00 0.00 H new ATOM 0 HG22 THR 1 27 11.443 -2.886 10.332 1.00 0.00 H new ATOM 0 HG23 THR 1 27 12.500 -3.974 11.262 1.00 0.00 H new ATOM 392 N PRO 1 28 10.950 -5.885 10.480 1.00 0.00 N ATOM 393 CA PRO 1 28 9.732 -6.149 11.229 1.00 0.00 C ATOM 394 C PRO 1 28 9.284 -4.907 12.004 1.00 0.00 C ATOM 395 O PRO 1 28 9.054 -4.975 13.210 1.00 0.00 O ATOM 396 CB PRO 1 28 10.074 -7.322 12.133 1.00 0.00 C ATOM 397 CG PRO 1 28 11.592 -7.371 12.196 1.00 0.00 C ATOM 398 CD PRO 1 28 12.133 -6.486 11.086 1.00 0.00 C ATOM 0 HA PRO 1 28 8.886 -6.392 10.586 1.00 0.00 H new ATOM 0 HB2 PRO 1 28 9.646 -7.187 13.126 1.00 0.00 H new ATOM 0 HB3 PRO 1 28 9.669 -8.253 11.735 1.00 0.00 H new ATOM 0 HG2 PRO 1 28 11.945 -7.024 13.167 1.00 0.00 H new ATOM 0 HG3 PRO 1 28 11.946 -8.395 12.075 1.00 0.00 H new ATOM 0 HD2 PRO 1 28 12.806 -5.724 11.480 1.00 0.00 H new ATOM 0 HD3 PRO 1 28 12.699 -7.066 10.358 1.00 0.00 H new ATOM 406 N LYS 1 29 9.173 -3.805 11.278 1.00 0.00 N ATOM 407 CA LYS 1 29 8.755 -2.551 11.882 1.00 0.00 C ATOM 408 C LYS 1 29 8.764 -1.450 10.820 1.00 0.00 C ATOM 409 O LYS 1 29 8.105 -0.424 10.977 1.00 0.00 O ATOM 410 CB LYS 1 29 9.618 -2.233 13.105 1.00 0.00 C ATOM 411 CG LYS 1 29 8.821 -1.447 14.148 1.00 0.00 C ATOM 412 CD LYS 1 29 8.740 -2.215 15.469 1.00 0.00 C ATOM 413 CE LYS 1 29 7.436 -1.903 16.205 1.00 0.00 C ATOM 414 NZ LYS 1 29 7.715 -1.479 17.596 1.00 0.00 N ATOM 0 H LYS 1 29 9.365 -3.754 10.278 1.00 0.00 H new ATOM 0 HA LYS 1 29 7.733 -2.628 12.252 1.00 0.00 H new ATOM 0 HB2 LYS 1 29 9.986 -3.159 13.546 1.00 0.00 H new ATOM 0 HB3 LYS 1 29 10.491 -1.657 12.799 1.00 0.00 H new ATOM 0 HG2 LYS 1 29 9.291 -0.478 14.315 1.00 0.00 H new ATOM 0 HG3 LYS 1 29 7.816 -1.254 13.773 1.00 0.00 H new ATOM 0 HD2 LYS 1 29 8.806 -3.286 15.276 1.00 0.00 H new ATOM 0 HD3 LYS 1 29 9.589 -1.952 16.099 1.00 0.00 H new ATOM 0 HE2 LYS 1 29 6.895 -1.116 15.680 1.00 0.00 H new ATOM 0 HE3 LYS 1 29 6.794 -2.784 16.209 1.00 0.00 H new ATOM 0 HZ1 LYS 1 29 6.819 -1.271 18.082 1.00 0.00 H new ATOM 0 HZ2 LYS 1 29 8.212 -2.242 18.098 1.00 0.00 H new ATOM 0 HZ3 LYS 1 29 8.310 -0.626 17.586 1.00 0.00 H new ATOM 428 N GLU 1 30 9.521 -1.701 9.760 1.00 0.00 N ATOM 429 CA GLU 1 30 9.625 -0.743 8.672 1.00 0.00 C ATOM 430 C GLU 1 30 8.676 -1.127 7.535 1.00 0.00 C ATOM 431 O GLU 1 30 7.993 -0.270 6.977 1.00 0.00 O ATOM 432 CB GLU 1 30 11.066 -0.638 8.170 1.00 0.00 C ATOM 433 CG GLU 1 30 11.717 0.664 8.642 1.00 0.00 C ATOM 434 CD GLU 1 30 11.805 0.712 10.168 1.00 0.00 C ATOM 435 OE1 GLU 1 30 12.683 0.006 10.709 1.00 0.00 O ATOM 436 OE2 GLU 1 30 10.991 1.454 10.760 1.00 0.00 O ATOM 0 H GLU 1 30 10.067 -2.553 9.632 1.00 0.00 H new ATOM 0 HA GLU 1 30 9.333 0.238 9.048 1.00 0.00 H new ATOM 0 HB2 GLU 1 30 11.644 -1.489 8.531 1.00 0.00 H new ATOM 0 HB3 GLU 1 30 11.080 -0.682 7.081 1.00 0.00 H new ATOM 0 HG2 GLU 1 30 12.716 0.751 8.214 1.00 0.00 H new ATOM 0 HG3 GLU 1 30 11.140 1.515 8.281 1.00 0.00 H new ATOM 443 N CYS 1 31 8.662 -2.416 7.227 1.00 0.00 N ATOM 444 CA CYS 1 31 7.808 -2.923 6.167 1.00 0.00 C ATOM 445 C CYS 1 31 6.366 -2.520 6.479 1.00 0.00 C ATOM 446 O CYS 1 31 5.683 -1.941 5.635 1.00 0.00 O ATOM 447 CB CYS 1 31 7.954 -4.437 6.000 1.00 0.00 C ATOM 448 SG CYS 1 31 9.469 -4.969 5.121 1.00 0.00 S ATOM 0 H CYS 1 31 9.229 -3.124 7.693 1.00 0.00 H new ATOM 0 HA CYS 1 31 8.108 -2.487 5.214 1.00 0.00 H new ATOM 0 HB2 CYS 1 31 7.942 -4.900 6.987 1.00 0.00 H new ATOM 0 HB3 CYS 1 31 7.086 -4.814 5.460 1.00 0.00 H new ATOM 453 N ASN 1 32 5.943 -2.842 7.693 1.00 0.00 N ATOM 454 CA ASN 1 32 4.595 -2.521 8.126 1.00 0.00 C ATOM 455 C ASN 1 32 4.446 -1.001 8.231 1.00 0.00 C ATOM 456 O ASN 1 32 3.350 -0.497 8.472 1.00 0.00 O ATOM 457 CB ASN 1 32 4.300 -3.120 9.502 1.00 0.00 C ATOM 458 CG ASN 1 32 3.528 -4.434 9.375 1.00 0.00 C ATOM 459 OD1 ASN 1 32 4.179 -5.382 8.706 1.00 0.00 O flip ATOM 460 ND2 ASN 1 32 2.414 -4.579 9.852 1.00 0.00 N flip ATOM 0 H ASN 1 32 6.512 -3.322 8.390 1.00 0.00 H new ATOM 0 HA ASN 1 32 3.900 -2.935 7.396 1.00 0.00 H new ATOM 0 HB2 ASN 1 32 5.235 -3.294 10.035 1.00 0.00 H new ATOM 0 HB3 ASN 1 32 3.722 -2.411 10.095 1.00 0.00 H new ATOM 0 HD21 ASN 1 32 1.970 -3.810 10.354 1.00 0.00 H new ATOM 0 HD22 ASN 1 32 1.927 -5.469 9.748 1.00 0.00 H new ATOM 467 N ASN 1 33 5.563 -0.314 8.043 1.00 0.00 N ATOM 468 CA ASN 1 33 5.570 1.137 8.113 1.00 0.00 C ATOM 469 C ASN 1 33 5.610 1.711 6.696 1.00 0.00 C ATOM 470 O ASN 1 33 5.145 2.826 6.461 1.00 0.00 O ATOM 471 CB ASN 1 33 6.802 1.646 8.865 1.00 0.00 C ATOM 472 CG ASN 1 33 6.565 3.053 9.416 1.00 0.00 C ATOM 473 OD1 ASN 1 33 5.462 3.573 9.408 1.00 0.00 O ATOM 474 ND2 ASN 1 33 7.659 3.637 9.896 1.00 0.00 N ATOM 0 H ASN 1 33 6.470 -0.736 7.842 1.00 0.00 H new ATOM 0 HA ASN 1 33 4.670 1.454 8.640 1.00 0.00 H new ATOM 0 HB2 ASN 1 33 7.040 0.966 9.683 1.00 0.00 H new ATOM 0 HB3 ASN 1 33 7.663 1.653 8.197 1.00 0.00 H new ATOM 0 HD21 ASN 1 33 7.605 4.577 10.288 1.00 0.00 H new ATOM 0 HD22 ASN 1 33 8.552 3.145 9.872 1.00 0.00 H new ATOM 481 N ARG 1 34 6.168 0.924 5.788 1.00 0.00 N ATOM 482 CA ARG 1 34 6.274 1.341 4.400 1.00 0.00 C ATOM 483 C ARG 1 34 4.981 1.019 3.650 1.00 0.00 C ATOM 484 O ARG 1 34 4.680 1.639 2.630 1.00 0.00 O ATOM 485 CB ARG 1 34 7.446 0.646 3.704 1.00 0.00 C ATOM 486 CG ARG 1 34 8.673 0.595 4.616 1.00 0.00 C ATOM 487 CD ARG 1 34 9.921 1.095 3.885 1.00 0.00 C ATOM 488 NE ARG 1 34 10.801 1.825 4.825 1.00 0.00 N ATOM 489 CZ ARG 1 34 12.051 2.210 4.538 1.00 0.00 C ATOM 490 NH1 ARG 1 34 12.577 1.938 3.336 1.00 0.00 N ATOM 491 NH2 ARG 1 34 12.776 2.868 5.453 1.00 0.00 N ATOM 0 H ARG 1 34 6.551 -0.000 5.986 1.00 0.00 H new ATOM 0 HA ARG 1 34 6.447 2.417 4.389 1.00 0.00 H new ATOM 0 HB2 ARG 1 34 7.157 -0.366 3.420 1.00 0.00 H new ATOM 0 HB3 ARG 1 34 7.694 1.176 2.784 1.00 0.00 H new ATOM 0 HG2 ARG 1 34 8.497 1.205 5.502 1.00 0.00 H new ATOM 0 HG3 ARG 1 34 8.833 -0.427 4.959 1.00 0.00 H new ATOM 0 HD2 ARG 1 34 10.459 0.253 3.450 1.00 0.00 H new ATOM 0 HD3 ARG 1 34 9.633 1.749 3.062 1.00 0.00 H new ATOM 0 HE ARG 1 34 10.432 2.049 5.749 1.00 0.00 H new ATOM 0 HH11 ARG 1 34 12.025 1.438 2.639 1.00 0.00 H new ATOM 0 HH12 ARG 1 34 13.529 2.231 3.118 1.00 0.00 H new ATOM 0 HH21 ARG 1 34 12.376 3.075 6.368 1.00 0.00 H new ATOM 0 HH22 ARG 1 34 13.728 3.161 5.235 1.00 0.00 H new ATOM 505 N GLY 1 35 4.250 0.051 4.182 1.00 0.00 N ATOM 506 CA GLY 1 35 2.995 -0.360 3.575 1.00 0.00 C ATOM 507 C GLY 1 35 3.051 -1.825 3.140 1.00 0.00 C ATOM 508 O GLY 1 35 2.326 -2.236 2.235 1.00 0.00 O ATOM 0 H GLY 1 35 4.503 -0.461 5.027 1.00 0.00 H new ATOM 0 HA2 GLY 1 35 2.180 -0.219 4.285 1.00 0.00 H new ATOM 0 HA3 GLY 1 35 2.780 0.271 2.713 1.00 0.00 H new ATOM 512 N CYS 1 36 3.917 -2.575 3.806 1.00 0.00 N ATOM 513 CA CYS 1 36 4.077 -3.986 3.500 1.00 0.00 C ATOM 514 C CYS 1 36 3.761 -4.790 4.763 1.00 0.00 C ATOM 515 O CYS 1 36 3.387 -4.222 5.787 1.00 0.00 O ATOM 516 CB CYS 1 36 5.476 -4.293 2.962 1.00 0.00 C ATOM 517 SG CYS 1 36 6.006 -3.247 1.558 1.00 0.00 S ATOM 0 H CYS 1 36 4.516 -2.231 4.557 1.00 0.00 H new ATOM 0 HA CYS 1 36 3.385 -4.270 2.707 1.00 0.00 H new ATOM 0 HB2 CYS 1 36 6.195 -4.179 3.773 1.00 0.00 H new ATOM 0 HB3 CYS 1 36 5.509 -5.337 2.651 1.00 0.00 H new ATOM 522 N CYS 1 37 3.926 -6.100 4.648 1.00 0.00 N ATOM 523 CA CYS 1 37 3.662 -6.987 5.768 1.00 0.00 C ATOM 524 C CYS 1 37 4.889 -7.880 5.972 1.00 0.00 C ATOM 525 O CYS 1 37 5.343 -8.539 5.038 1.00 0.00 O ATOM 526 CB CYS 1 37 2.389 -7.808 5.552 1.00 0.00 C ATOM 527 SG CYS 1 37 1.638 -8.477 7.082 1.00 0.00 S ATOM 0 H CYS 1 37 4.239 -6.568 3.797 1.00 0.00 H new ATOM 0 HA CYS 1 37 3.487 -6.398 6.668 1.00 0.00 H new ATOM 0 HB2 CYS 1 37 1.653 -7.184 5.045 1.00 0.00 H new ATOM 0 HB3 CYS 1 37 2.618 -8.638 4.883 1.00 0.00 H new ATOM 532 N PHE 1 38 5.389 -7.871 7.198 1.00 0.00 N ATOM 533 CA PHE 1 38 6.554 -8.671 7.537 1.00 0.00 C ATOM 534 C PHE 1 38 6.144 -10.077 7.980 1.00 0.00 C ATOM 535 O PHE 1 38 5.389 -10.234 8.938 1.00 0.00 O ATOM 536 CB PHE 1 38 7.258 -7.968 8.699 1.00 0.00 C ATOM 537 CG PHE 1 38 8.672 -8.482 8.974 1.00 0.00 C ATOM 538 CD1 PHE 1 38 9.728 -7.970 8.286 1.00 0.00 C ATOM 539 CD2 PHE 1 38 8.874 -9.452 9.906 1.00 0.00 C ATOM 540 CE1 PHE 1 38 11.041 -8.448 8.540 1.00 0.00 C ATOM 541 CE2 PHE 1 38 10.187 -9.929 10.161 1.00 0.00 C ATOM 542 CZ PHE 1 38 11.243 -9.417 9.472 1.00 0.00 C ATOM 0 H PHE 1 38 5.009 -7.322 7.969 1.00 0.00 H new ATOM 0 HA PHE 1 38 7.204 -8.768 6.667 1.00 0.00 H new ATOM 0 HB2 PHE 1 38 7.306 -6.900 8.488 1.00 0.00 H new ATOM 0 HB3 PHE 1 38 6.657 -8.089 9.600 1.00 0.00 H new ATOM 0 HD1 PHE 1 38 9.568 -7.200 7.546 1.00 0.00 H new ATOM 0 HD2 PHE 1 38 8.036 -9.859 10.452 1.00 0.00 H new ATOM 0 HE1 PHE 1 38 11.879 -8.042 7.993 1.00 0.00 H new ATOM 0 HE2 PHE 1 38 10.348 -10.698 10.902 1.00 0.00 H new ATOM 0 HZ PHE 1 38 12.241 -9.780 9.666 1.00 0.00 H new ATOM 552 N ASP 1 39 6.659 -11.063 7.260 1.00 0.00 N ATOM 553 CA ASP 1 39 6.357 -12.451 7.568 1.00 0.00 C ATOM 554 C ASP 1 39 7.284 -12.936 8.683 1.00 0.00 C ATOM 555 O ASP 1 39 6.899 -12.952 9.852 1.00 0.00 O ATOM 556 CB ASP 1 39 6.578 -13.346 6.347 1.00 0.00 C ATOM 557 CG ASP 1 39 7.149 -14.731 6.655 1.00 0.00 C ATOM 558 OD1 ASP 1 39 6.366 -15.572 7.146 1.00 0.00 O ATOM 559 OD2 ASP 1 39 8.358 -14.917 6.394 1.00 0.00 O ATOM 0 H ASP 1 39 7.283 -10.928 6.465 1.00 0.00 H new ATOM 0 HA ASP 1 39 5.312 -12.508 7.874 1.00 0.00 H new ATOM 0 HB2 ASP 1 39 5.627 -13.469 5.829 1.00 0.00 H new ATOM 0 HB3 ASP 1 39 7.253 -12.836 5.659 1.00 0.00 H new ATOM 564 N SER 1 40 8.488 -13.319 8.284 1.00 0.00 N ATOM 565 CA SER 1 40 9.473 -13.803 9.236 1.00 0.00 C ATOM 566 C SER 1 40 9.269 -15.299 9.485 1.00 0.00 C ATOM 567 O SER 1 40 10.198 -15.997 9.887 1.00 0.00 O ATOM 568 CB SER 1 40 9.392 -13.030 10.554 1.00 0.00 C ATOM 569 OG SER 1 40 10.674 -12.865 11.156 1.00 0.00 O ATOM 0 H SER 1 40 8.804 -13.304 7.314 1.00 0.00 H new ATOM 0 HA SER 1 40 10.465 -13.643 8.813 1.00 0.00 H new ATOM 0 HB2 SER 1 40 8.948 -12.051 10.374 1.00 0.00 H new ATOM 0 HB3 SER 1 40 8.733 -13.557 11.244 1.00 0.00 H new ATOM 0 HG SER 1 40 10.580 -12.365 11.994 1.00 0.00 H new ATOM 575 N ARG 1 41 8.047 -15.746 9.236 1.00 0.00 N ATOM 576 CA ARG 1 41 7.709 -17.147 9.428 1.00 0.00 C ATOM 577 C ARG 1 41 8.545 -18.027 8.497 1.00 0.00 C ATOM 578 O ARG 1 41 9.068 -19.058 8.915 1.00 0.00 O ATOM 579 CB ARG 1 41 6.224 -17.396 9.159 1.00 0.00 C ATOM 580 CG ARG 1 41 5.367 -16.255 9.709 1.00 0.00 C ATOM 581 CD ARG 1 41 4.211 -16.795 10.554 1.00 0.00 C ATOM 582 NE ARG 1 41 4.740 -17.538 11.719 1.00 0.00 N ATOM 583 CZ ARG 1 41 3.973 -18.158 12.627 1.00 0.00 C ATOM 584 NH1 ARG 1 41 2.639 -18.127 12.509 1.00 0.00 N ATOM 585 NH2 ARG 1 41 4.541 -18.807 13.652 1.00 0.00 N ATOM 0 H ARG 1 41 7.279 -15.163 8.903 1.00 0.00 H new ATOM 0 HA ARG 1 41 7.926 -17.402 10.465 1.00 0.00 H new ATOM 0 HB2 ARG 1 41 6.057 -17.496 8.087 1.00 0.00 H new ATOM 0 HB3 ARG 1 41 5.921 -18.337 9.618 1.00 0.00 H new ATOM 0 HG2 ARG 1 41 5.984 -15.591 10.313 1.00 0.00 H new ATOM 0 HG3 ARG 1 41 4.973 -15.661 8.884 1.00 0.00 H new ATOM 0 HD2 ARG 1 41 3.582 -15.972 10.892 1.00 0.00 H new ATOM 0 HD3 ARG 1 41 3.583 -17.449 9.950 1.00 0.00 H new ATOM 0 HE ARG 1 41 5.752 -17.581 11.839 1.00 0.00 H new ATOM 0 HH11 ARG 1 41 2.207 -17.632 11.729 1.00 0.00 H new ATOM 0 HH12 ARG 1 41 2.055 -18.599 13.200 1.00 0.00 H new ATOM 0 HH21 ARG 1 41 5.557 -18.829 13.741 1.00 0.00 H new ATOM 0 HH22 ARG 1 41 3.958 -19.279 14.343 1.00 0.00 H new ATOM 599 N ILE 1 42 8.643 -17.588 7.251 1.00 0.00 N ATOM 600 CA ILE 1 42 9.406 -18.322 6.256 1.00 0.00 C ATOM 601 C ILE 1 42 10.534 -17.435 5.726 1.00 0.00 C ATOM 602 O ILE 1 42 10.287 -16.489 4.980 1.00 0.00 O ATOM 603 CB ILE 1 42 8.483 -18.861 5.162 1.00 0.00 C ATOM 604 CG1 ILE 1 42 7.095 -19.178 5.723 1.00 0.00 C ATOM 605 CG2 ILE 1 42 9.107 -20.070 4.462 1.00 0.00 C ATOM 606 CD1 ILE 1 42 6.363 -20.188 4.838 1.00 0.00 C ATOM 0 H ILE 1 42 8.206 -16.733 6.908 1.00 0.00 H new ATOM 0 HA ILE 1 42 9.874 -19.198 6.706 1.00 0.00 H new ATOM 0 HB ILE 1 42 8.357 -18.083 4.409 1.00 0.00 H new ATOM 0 HG12 ILE 1 42 7.190 -19.576 6.733 1.00 0.00 H new ATOM 0 HG13 ILE 1 42 6.510 -18.261 5.795 1.00 0.00 H new ATOM 0 HG21 ILE 1 42 8.429 -20.433 3.689 1.00 0.00 H new ATOM 0 HG22 ILE 1 42 10.054 -19.778 4.007 1.00 0.00 H new ATOM 0 HG23 ILE 1 42 9.283 -20.861 5.191 1.00 0.00 H new ATOM 0 HD11 ILE 1 42 5.379 -20.396 5.260 1.00 0.00 H new ATOM 0 HD12 ILE 1 42 6.249 -19.777 3.835 1.00 0.00 H new ATOM 0 HD13 ILE 1 42 6.939 -21.112 4.788 1.00 0.00 H new ATOM 618 N PRO 1 43 11.782 -17.781 6.145 1.00 0.00 N ATOM 619 CA PRO 1 43 12.949 -17.025 5.721 1.00 0.00 C ATOM 620 C PRO 1 43 13.309 -17.344 4.268 1.00 0.00 C ATOM 621 O PRO 1 43 14.227 -16.746 3.707 1.00 0.00 O ATOM 622 CB PRO 1 43 14.044 -17.409 6.702 1.00 0.00 C ATOM 623 CG PRO 1 43 13.587 -18.706 7.351 1.00 0.00 C ATOM 624 CD PRO 1 43 12.113 -18.894 7.029 1.00 0.00 C ATOM 0 HA PRO 1 43 12.781 -15.948 5.734 1.00 0.00 H new ATOM 0 HB2 PRO 1 43 14.997 -17.543 6.190 1.00 0.00 H new ATOM 0 HB3 PRO 1 43 14.190 -16.629 7.449 1.00 0.00 H new ATOM 0 HG2 PRO 1 43 14.170 -19.547 6.976 1.00 0.00 H new ATOM 0 HG3 PRO 1 43 13.740 -18.668 8.429 1.00 0.00 H new ATOM 0 HD2 PRO 1 43 11.933 -19.853 6.543 1.00 0.00 H new ATOM 0 HD3 PRO 1 43 11.505 -18.876 7.933 1.00 0.00 H new ATOM 632 N GLY 1 44 12.571 -18.286 3.702 1.00 0.00 N ATOM 633 CA GLY 1 44 12.802 -18.691 2.325 1.00 0.00 C ATOM 634 C GLY 1 44 11.877 -17.936 1.369 1.00 0.00 C ATOM 635 O GLY 1 44 11.977 -18.090 0.152 1.00 0.00 O ATOM 0 H GLY 1 44 11.812 -18.781 4.171 1.00 0.00 H new ATOM 0 HA2 GLY 1 44 13.841 -18.502 2.056 1.00 0.00 H new ATOM 0 HA3 GLY 1 44 12.637 -19.764 2.225 1.00 0.00 H new ATOM 639 N VAL 1 45 10.999 -17.135 1.954 1.00 0.00 N ATOM 640 CA VAL 1 45 10.058 -16.354 1.169 1.00 0.00 C ATOM 641 C VAL 1 45 10.242 -14.870 1.488 1.00 0.00 C ATOM 642 O VAL 1 45 11.139 -14.500 2.245 1.00 0.00 O ATOM 643 CB VAL 1 45 8.632 -16.847 1.421 1.00 0.00 C ATOM 644 CG1 VAL 1 45 8.610 -18.355 1.682 1.00 0.00 C ATOM 645 CG2 VAL 1 45 7.983 -16.081 2.575 1.00 0.00 C ATOM 0 H VAL 1 45 10.919 -17.010 2.963 1.00 0.00 H new ATOM 0 HA VAL 1 45 10.250 -16.483 0.104 1.00 0.00 H new ATOM 0 HB VAL 1 45 8.048 -16.655 0.521 1.00 0.00 H new ATOM 0 HG11 VAL 1 45 7.584 -18.679 1.858 1.00 0.00 H new ATOM 0 HG12 VAL 1 45 9.013 -18.880 0.816 1.00 0.00 H new ATOM 0 HG13 VAL 1 45 9.217 -18.581 2.558 1.00 0.00 H new ATOM 0 HG21 VAL 1 45 6.970 -16.451 2.733 1.00 0.00 H new ATOM 0 HG22 VAL 1 45 8.568 -16.226 3.483 1.00 0.00 H new ATOM 0 HG23 VAL 1 45 7.948 -15.019 2.332 1.00 0.00 H new ATOM 655 N PRO 1 46 9.356 -14.037 0.881 1.00 0.00 N ATOM 656 CA PRO 1 46 9.413 -12.600 1.092 1.00 0.00 C ATOM 657 C PRO 1 46 8.868 -12.227 2.472 1.00 0.00 C ATOM 658 O PRO 1 46 7.700 -12.475 2.770 1.00 0.00 O ATOM 659 CB PRO 1 46 8.603 -12.003 -0.048 1.00 0.00 C ATOM 660 CG PRO 1 46 7.742 -13.133 -0.585 1.00 0.00 C ATOM 661 CD PRO 1 46 8.281 -14.438 -0.023 1.00 0.00 C ATOM 0 HA PRO 1 46 10.432 -12.213 1.084 1.00 0.00 H new ATOM 0 HB2 PRO 1 46 7.987 -11.175 0.303 1.00 0.00 H new ATOM 0 HB3 PRO 1 46 9.256 -11.607 -0.825 1.00 0.00 H new ATOM 0 HG2 PRO 1 46 6.702 -12.992 -0.292 1.00 0.00 H new ATOM 0 HG3 PRO 1 46 7.767 -13.147 -1.675 1.00 0.00 H new ATOM 0 HD2 PRO 1 46 7.505 -14.992 0.506 1.00 0.00 H new ATOM 0 HD3 PRO 1 46 8.652 -15.087 -0.816 1.00 0.00 H new ATOM 669 N TRP 1 47 9.739 -11.638 3.278 1.00 0.00 N ATOM 670 CA TRP 1 47 9.360 -11.228 4.619 1.00 0.00 C ATOM 671 C TRP 1 47 8.895 -9.772 4.556 1.00 0.00 C ATOM 672 O TRP 1 47 9.050 -9.024 5.520 1.00 0.00 O ATOM 673 CB TRP 1 47 10.509 -11.446 5.605 1.00 0.00 C ATOM 674 CG TRP 1 47 11.650 -12.303 5.051 1.00 0.00 C ATOM 675 CD1 TRP 1 47 11.692 -13.636 4.921 1.00 0.00 C ATOM 676 CD2 TRP 1 47 12.919 -11.829 4.554 1.00 0.00 C ATOM 677 NE1 TRP 1 47 12.890 -14.054 4.380 1.00 0.00 N ATOM 678 CE2 TRP 1 47 13.660 -12.920 4.149 1.00 0.00 C ATOM 679 CE3 TRP 1 47 13.423 -10.520 4.450 1.00 0.00 C ATOM 680 CZ2 TRP 1 47 14.949 -12.814 3.613 1.00 0.00 C ATOM 681 CZ3 TRP 1 47 14.713 -10.433 3.913 1.00 0.00 C ATOM 682 CH2 TRP 1 47 15.472 -11.521 3.501 1.00 0.00 C ATOM 0 H TRP 1 47 10.707 -11.435 3.028 1.00 0.00 H new ATOM 0 HA TRP 1 47 8.538 -11.840 4.990 1.00 0.00 H new ATOM 0 HB2 TRP 1 47 10.908 -10.476 5.902 1.00 0.00 H new ATOM 0 HB3 TRP 1 47 10.117 -11.919 6.505 1.00 0.00 H new ATOM 0 HD1 TRP 1 47 10.889 -14.300 5.204 1.00 0.00 H new ATOM 0 HE1 TRP 1 47 13.161 -15.018 4.185 1.00 0.00 H new ATOM 0 HE3 TRP 1 47 12.860 -9.652 4.760 1.00 0.00 H new ATOM 0 HZ2 TRP 1 47 15.510 -13.683 3.303 1.00 0.00 H new ATOM 0 HZ3 TRP 1 47 15.149 -9.450 3.812 1.00 0.00 H new ATOM 0 HH2 TRP 1 47 16.462 -11.370 3.096 1.00 0.00 H new ATOM 693 N CYS 1 48 8.335 -9.413 3.410 1.00 0.00 N ATOM 694 CA CYS 1 48 7.845 -8.060 3.208 1.00 0.00 C ATOM 695 C CYS 1 48 7.017 -8.034 1.922 1.00 0.00 C ATOM 696 O CYS 1 48 7.566 -8.130 0.824 1.00 0.00 O ATOM 697 CB CYS 1 48 8.990 -7.045 3.170 1.00 0.00 C ATOM 698 SG CYS 1 48 8.469 -5.294 3.288 1.00 0.00 S ATOM 0 H CYS 1 48 8.210 -10.036 2.612 1.00 0.00 H new ATOM 0 HA CYS 1 48 7.215 -7.769 4.049 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 9.676 -7.261 3.989 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 9.547 -7.182 2.243 1.00 0.00 H new ATOM 703 N PHE 1 49 5.711 -7.906 2.099 1.00 0.00 N ATOM 704 CA PHE 1 49 4.803 -7.867 0.966 1.00 0.00 C ATOM 705 C PHE 1 49 3.625 -6.929 1.238 1.00 0.00 C ATOM 706 O PHE 1 49 3.627 -6.197 2.227 1.00 0.00 O ATOM 707 CB PHE 1 49 4.272 -9.289 0.769 1.00 0.00 C ATOM 708 CG PHE 1 49 4.239 -10.124 2.051 1.00 0.00 C ATOM 709 CD1 PHE 1 49 5.401 -10.543 2.618 1.00 0.00 C ATOM 710 CD2 PHE 1 49 3.048 -10.446 2.623 1.00 0.00 C ATOM 711 CE1 PHE 1 49 5.372 -11.318 3.808 1.00 0.00 C ATOM 712 CE2 PHE 1 49 3.018 -11.220 3.813 1.00 0.00 C ATOM 713 CZ PHE 1 49 4.181 -11.641 4.380 1.00 0.00 C ATOM 0 H PHE 1 49 5.260 -7.828 3.010 1.00 0.00 H new ATOM 0 HA PHE 1 49 5.327 -7.502 0.083 1.00 0.00 H new ATOM 0 HB2 PHE 1 49 3.265 -9.236 0.356 1.00 0.00 H new ATOM 0 HB3 PHE 1 49 4.892 -9.799 0.032 1.00 0.00 H new ATOM 0 HD1 PHE 1 49 6.347 -10.287 2.164 1.00 0.00 H new ATOM 0 HD2 PHE 1 49 2.125 -10.113 2.172 1.00 0.00 H new ATOM 0 HE1 PHE 1 49 6.295 -11.651 4.259 1.00 0.00 H new ATOM 0 HE2 PHE 1 49 2.072 -11.475 4.268 1.00 0.00 H new ATOM 0 HZ PHE 1 49 4.158 -12.231 5.284 1.00 0.00 H new ATOM 723 N LYS 1 50 2.648 -6.982 0.345 1.00 0.00 N ATOM 724 CA LYS 1 50 1.467 -6.146 0.478 1.00 0.00 C ATOM 725 C LYS 1 50 0.224 -7.035 0.546 1.00 0.00 C ATOM 726 O LYS 1 50 -0.576 -7.062 -0.389 1.00 0.00 O ATOM 727 CB LYS 1 50 1.419 -5.105 -0.643 1.00 0.00 C ATOM 728 CG LYS 1 50 2.530 -5.350 -1.666 1.00 0.00 C ATOM 729 CD LYS 1 50 3.832 -4.673 -1.233 1.00 0.00 C ATOM 730 CE LYS 1 50 3.578 -3.238 -0.770 1.00 0.00 C ATOM 731 NZ LYS 1 50 2.619 -2.564 -1.674 1.00 0.00 N ATOM 0 H LYS 1 50 2.650 -7.591 -0.473 1.00 0.00 H new ATOM 0 HA LYS 1 50 1.504 -5.578 1.408 1.00 0.00 H new ATOM 0 HB2 LYS 1 50 0.449 -5.143 -1.138 1.00 0.00 H new ATOM 0 HB3 LYS 1 50 1.522 -4.105 -0.221 1.00 0.00 H new ATOM 0 HG2 LYS 1 50 2.694 -6.421 -1.781 1.00 0.00 H new ATOM 0 HG3 LYS 1 50 2.224 -4.968 -2.640 1.00 0.00 H new ATOM 0 HD2 LYS 1 50 4.291 -5.243 -0.425 1.00 0.00 H new ATOM 0 HD3 LYS 1 50 4.538 -4.671 -2.063 1.00 0.00 H new ATOM 0 HE2 LYS 1 50 3.187 -3.242 0.247 1.00 0.00 H new ATOM 0 HE3 LYS 1 50 4.517 -2.685 -0.749 1.00 0.00 H new ATOM 0 HZ1 LYS 1 50 2.755 -1.534 -1.619 1.00 0.00 H new ATOM 0 HZ2 LYS 1 50 2.780 -2.883 -2.651 1.00 0.00 H new ATOM 0 HZ3 LYS 1 50 1.647 -2.801 -1.388 1.00 0.00 H new ATOM 745 N PRO 1 51 0.096 -7.758 1.689 1.00 0.00 N ATOM 746 CA PRO 1 51 -1.038 -8.646 1.891 1.00 0.00 C ATOM 747 C PRO 1 51 -2.306 -7.852 2.210 1.00 0.00 C ATOM 748 O PRO 1 51 -2.948 -7.313 1.310 1.00 0.00 O ATOM 749 CB PRO 1 51 -0.616 -9.571 3.020 1.00 0.00 C ATOM 750 CG PRO 1 51 0.541 -8.876 3.720 1.00 0.00 C ATOM 751 CD PRO 1 51 1.022 -7.751 2.818 1.00 0.00 C ATOM 0 HA PRO 1 51 -1.289 -9.218 0.998 1.00 0.00 H new ATOM 0 HB2 PRO 1 51 -1.441 -9.746 3.710 1.00 0.00 H new ATOM 0 HB3 PRO 1 51 -0.311 -10.544 2.634 1.00 0.00 H new ATOM 0 HG2 PRO 1 51 0.222 -8.482 4.685 1.00 0.00 H new ATOM 0 HG3 PRO 1 51 1.349 -9.581 3.915 1.00 0.00 H new ATOM 0 HD2 PRO 1 51 1.006 -6.793 3.337 1.00 0.00 H new ATOM 0 HD3 PRO 1 51 2.048 -7.918 2.490 1.00 0.00 H new ATOM 759 N LEU 1 52 -2.629 -7.806 3.494 1.00 0.00 N ATOM 760 CA LEU 1 52 -3.810 -7.087 3.943 1.00 0.00 C ATOM 761 C LEU 1 52 -3.431 -5.639 4.258 1.00 0.00 C ATOM 762 O LEU 1 52 -3.990 -5.031 5.169 1.00 0.00 O ATOM 763 CB LEU 1 52 -4.470 -7.819 5.113 1.00 0.00 C ATOM 764 CG LEU 1 52 -4.154 -7.274 6.508 1.00 0.00 C ATOM 765 CD1 LEU 1 52 -4.515 -8.294 7.589 1.00 0.00 C ATOM 766 CD2 LEU 1 52 -2.694 -6.827 6.605 1.00 0.00 C ATOM 0 H LEU 1 52 -2.094 -8.255 4.238 1.00 0.00 H new ATOM 0 HA LEU 1 52 -4.560 -7.055 3.153 1.00 0.00 H new ATOM 0 HB2 LEU 1 52 -5.550 -7.792 4.970 1.00 0.00 H new ATOM 0 HB3 LEU 1 52 -4.170 -8.866 5.077 1.00 0.00 H new ATOM 0 HG LEU 1 52 -4.772 -6.392 6.678 1.00 0.00 H new ATOM 0 HD11 LEU 1 52 -4.281 -7.882 8.571 1.00 0.00 H new ATOM 0 HD12 LEU 1 52 -5.580 -8.520 7.535 1.00 0.00 H new ATOM 0 HD13 LEU 1 52 -3.942 -9.208 7.433 1.00 0.00 H new ATOM 0 HD21 LEU 1 52 -2.496 -6.444 7.606 1.00 0.00 H new ATOM 0 HD22 LEU 1 52 -2.040 -7.676 6.405 1.00 0.00 H new ATOM 0 HD23 LEU 1 52 -2.504 -6.042 5.873 1.00 0.00 H new ATOM 778 N GLN 1 53 -2.482 -5.128 3.487 1.00 0.00 N ATOM 779 CA GLN 1 53 -2.021 -3.762 3.673 1.00 0.00 C ATOM 780 C GLN 1 53 -3.196 -2.787 3.578 1.00 0.00 C ATOM 781 O GLN 1 53 -3.137 -1.683 4.117 1.00 0.00 O ATOM 782 CB GLN 1 53 -0.932 -3.408 2.657 1.00 0.00 C ATOM 783 CG GLN 1 53 0.300 -4.296 2.843 1.00 0.00 C ATOM 784 CD GLN 1 53 0.822 -4.216 4.280 1.00 0.00 C ATOM 785 OE1 GLN 1 53 1.512 -3.287 4.666 1.00 0.00 O ATOM 786 NE2 GLN 1 53 0.455 -5.239 5.046 1.00 0.00 N ATOM 0 H GLN 1 53 -2.020 -5.635 2.732 1.00 0.00 H new ATOM 0 HA GLN 1 53 -1.585 -3.679 4.669 1.00 0.00 H new ATOM 0 HB2 GLN 1 53 -1.321 -3.526 1.646 1.00 0.00 H new ATOM 0 HB3 GLN 1 53 -0.651 -2.361 2.770 1.00 0.00 H new ATOM 0 HG2 GLN 1 53 0.048 -5.329 2.601 1.00 0.00 H new ATOM 0 HG3 GLN 1 53 1.083 -3.988 2.150 1.00 0.00 H new ATOM 0 HE21 GLN 1 53 -0.124 -5.984 4.659 1.00 0.00 H new ATOM 0 HE22 GLN 1 53 0.752 -5.279 6.021 1.00 0.00 H new ATOM 795 N GLU 1 54 -4.238 -3.232 2.889 1.00 0.00 N ATOM 796 CA GLU 1 54 -5.425 -2.412 2.717 1.00 0.00 C ATOM 797 C GLU 1 54 -5.752 -1.672 4.015 1.00 0.00 C ATOM 798 O GLU 1 54 -6.351 -0.597 3.987 1.00 0.00 O ATOM 799 CB GLU 1 54 -6.614 -3.259 2.255 1.00 0.00 C ATOM 800 CG GLU 1 54 -7.346 -3.872 3.450 1.00 0.00 C ATOM 801 CD GLU 1 54 -8.530 -3.001 3.874 1.00 0.00 C ATOM 802 OE1 GLU 1 54 -8.278 -2.021 4.609 1.00 0.00 O ATOM 803 OE2 GLU 1 54 -9.659 -3.334 3.455 1.00 0.00 O ATOM 0 H GLU 1 54 -4.284 -4.149 2.444 1.00 0.00 H new ATOM 0 HA GLU 1 54 -5.223 -1.673 1.941 1.00 0.00 H new ATOM 0 HB2 GLU 1 54 -7.303 -2.641 1.679 1.00 0.00 H new ATOM 0 HB3 GLU 1 54 -6.265 -4.051 1.592 1.00 0.00 H new ATOM 0 HG2 GLU 1 54 -7.699 -4.870 3.192 1.00 0.00 H new ATOM 0 HG3 GLU 1 54 -6.655 -3.984 4.286 1.00 0.00 H new ATOM 810 N ALA 1 55 -5.343 -2.274 5.121 1.00 0.00 N ATOM 811 CA ALA 1 55 -5.585 -1.685 6.428 1.00 0.00 C ATOM 812 C ALA 1 55 -5.370 -0.172 6.347 1.00 0.00 C ATOM 813 O ALA 1 55 -6.331 0.593 6.281 1.00 0.00 O ATOM 814 CB ALA 1 55 -4.675 -2.349 7.463 1.00 0.00 C ATOM 0 H ALA 1 55 -4.845 -3.164 5.140 1.00 0.00 H new ATOM 0 HA ALA 1 55 -6.615 -1.856 6.742 1.00 0.00 H new ATOM 0 HB1 ALA 1 55 -4.856 -1.908 8.443 1.00 0.00 H new ATOM 0 HB2 ALA 1 55 -4.887 -3.418 7.501 1.00 0.00 H new ATOM 0 HB3 ALA 1 55 -3.633 -2.196 7.183 1.00 0.00 H new ATOM 820 N GLU 1 56 -4.103 0.215 6.356 1.00 0.00 N ATOM 821 CA GLU 1 56 -3.749 1.623 6.285 1.00 0.00 C ATOM 822 C GLU 1 56 -2.978 1.912 4.995 1.00 0.00 C ATOM 823 O GLU 1 56 -2.217 2.876 4.927 1.00 0.00 O ATOM 824 CB GLU 1 56 -2.942 2.048 7.514 1.00 0.00 C ATOM 825 CG GLU 1 56 -3.849 2.680 8.572 1.00 0.00 C ATOM 826 CD GLU 1 56 -3.107 3.766 9.353 1.00 0.00 C ATOM 827 OE1 GLU 1 56 -1.921 3.527 9.670 1.00 0.00 O ATOM 828 OE2 GLU 1 56 -3.740 4.811 9.615 1.00 0.00 O ATOM 0 H GLU 1 56 -3.308 -0.422 6.411 1.00 0.00 H new ATOM 0 HA GLU 1 56 -4.668 2.209 6.275 1.00 0.00 H new ATOM 0 HB2 GLU 1 56 -2.433 1.182 7.937 1.00 0.00 H new ATOM 0 HB3 GLU 1 56 -2.170 2.759 7.219 1.00 0.00 H new ATOM 0 HG2 GLU 1 56 -4.729 3.109 8.092 1.00 0.00 H new ATOM 0 HG3 GLU 1 56 -4.203 1.911 9.259 1.00 0.00 H new ATOM 835 N CYS 1 57 -3.202 1.059 4.006 1.00 0.00 N ATOM 836 CA CYS 1 57 -2.537 1.211 2.723 1.00 0.00 C ATOM 837 C CYS 1 57 -3.555 1.750 1.716 1.00 0.00 C ATOM 838 O CYS 1 57 -3.369 2.828 1.156 1.00 0.00 O ATOM 839 CB CYS 1 57 -1.907 -0.101 2.253 1.00 0.00 C ATOM 840 SG CYS 1 57 -0.602 0.084 0.984 1.00 0.00 S ATOM 0 H CYS 1 57 -3.834 0.261 4.067 1.00 0.00 H new ATOM 0 HA CYS 1 57 -1.713 1.918 2.819 1.00 0.00 H new ATOM 0 HB2 CYS 1 57 -1.484 -0.614 3.117 1.00 0.00 H new ATOM 0 HB3 CYS 1 57 -2.693 -0.743 1.855 1.00 0.00 H new ATOM 845 N THR 1 58 -4.608 0.971 1.515 1.00 0.00 N ATOM 846 CA THR 1 58 -5.656 1.356 0.584 1.00 0.00 C ATOM 847 C THR 1 58 -6.346 2.636 1.058 1.00 0.00 C ATOM 848 O THR 1 58 -6.843 3.415 0.246 1.00 0.00 O ATOM 849 CB THR 1 58 -6.612 0.171 0.433 1.00 0.00 C ATOM 850 OG1 THR 1 58 -7.280 0.420 -0.801 1.00 0.00 O ATOM 851 CG2 THR 1 58 -7.733 0.186 1.474 1.00 0.00 C ATOM 0 H THR 1 58 -4.758 0.076 1.980 1.00 0.00 H new ATOM 0 HA THR 1 58 -5.246 1.590 -0.399 1.00 0.00 H new ATOM 0 HB THR 1 58 -6.052 -0.760 0.517 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -8.227 0.183 -0.714 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -8.382 -0.676 1.322 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -7.301 0.143 2.474 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -8.315 1.102 1.369 1.00 0.00 H new ATOM 859 N PHE 1 59 -6.355 2.815 2.371 1.00 0.00 N ATOM 860 CA PHE 1 59 -6.976 3.988 2.964 1.00 0.00 C ATOM 861 C PHE 1 59 -6.843 5.202 2.042 1.00 0.00 C ATOM 862 O PHE 1 59 -6.934 6.343 2.495 1.00 0.00 O ATOM 863 CB PHE 1 59 -6.238 4.272 4.272 1.00 0.00 C ATOM 864 CG PHE 1 59 -7.149 4.734 5.412 1.00 0.00 C ATOM 865 CD1 PHE 1 59 -7.994 3.851 6.009 1.00 0.00 C ATOM 866 CD2 PHE 1 59 -7.113 6.029 5.829 1.00 0.00 C ATOM 867 CE1 PHE 1 59 -8.838 4.280 7.067 1.00 0.00 C ATOM 868 CE2 PHE 1 59 -7.957 6.457 6.887 1.00 0.00 C ATOM 869 CZ PHE 1 59 -8.802 5.574 7.483 1.00 0.00 C ATOM 0 H PHE 1 59 -5.942 2.167 3.042 1.00 0.00 H new ATOM 0 HA PHE 1 59 -8.038 3.805 3.129 1.00 0.00 H new ATOM 0 HB2 PHE 1 59 -5.712 3.370 4.584 1.00 0.00 H new ATOM 0 HB3 PHE 1 59 -5.482 5.036 4.092 1.00 0.00 H new ATOM 0 HD1 PHE 1 59 -8.023 2.823 5.678 1.00 0.00 H new ATOM 0 HD2 PHE 1 59 -6.443 6.731 5.355 1.00 0.00 H new ATOM 0 HE1 PHE 1 59 -9.508 3.579 7.541 1.00 0.00 H new ATOM 0 HE2 PHE 1 59 -7.928 7.484 7.219 1.00 0.00 H new ATOM 0 HZ PHE 1 59 -9.445 5.901 8.287 1.00 0.00 H new TER 879 PHE 1 59 ATOM 880 N GLU 2 1 -19.144 -1.670 0.948 1.00 0.00 N ATOM 881 CA GLU 2 1 -20.064 -1.840 -0.163 1.00 0.00 C ATOM 882 C GLU 2 1 -19.841 -0.745 -1.208 1.00 0.00 C ATOM 883 O GLU 2 1 -19.536 -1.038 -2.364 1.00 0.00 O ATOM 884 CB GLU 2 1 -21.516 -1.847 0.322 1.00 0.00 C ATOM 885 CG GLU 2 1 -21.846 -3.155 1.042 1.00 0.00 C ATOM 886 CD GLU 2 1 -23.347 -3.449 0.983 1.00 0.00 C ATOM 887 OE1 GLU 2 1 -24.119 -2.468 1.038 1.00 0.00 O ATOM 888 OE2 GLU 2 1 -23.687 -4.648 0.886 1.00 0.00 O ATOM 0 H1 GLU 2 1 -19.271 -2.448 1.626 1.00 0.00 H new ATOM 0 H2 GLU 2 1 -18.166 -1.676 0.593 1.00 0.00 H new ATOM 0 H3 GLU 2 1 -19.335 -0.764 1.422 1.00 0.00 H new ATOM 0 HA GLU 2 1 -19.867 -2.806 -0.628 1.00 0.00 H new ATOM 0 HB2 GLU 2 1 -21.683 -1.005 0.994 1.00 0.00 H new ATOM 0 HB3 GLU 2 1 -22.187 -1.715 -0.526 1.00 0.00 H new ATOM 0 HG2 GLU 2 1 -21.293 -3.976 0.585 1.00 0.00 H new ATOM 0 HG3 GLU 2 1 -21.524 -3.093 2.082 1.00 0.00 H new ATOM 895 N GLU 2 2 -20.003 0.493 -0.767 1.00 0.00 N ATOM 896 CA GLU 2 2 -19.823 1.633 -1.650 1.00 0.00 C ATOM 897 C GLU 2 2 -18.339 1.991 -1.759 1.00 0.00 C ATOM 898 O GLU 2 2 -17.935 3.096 -1.401 1.00 0.00 O ATOM 899 CB GLU 2 2 -20.642 2.833 -1.170 1.00 0.00 C ATOM 900 CG GLU 2 2 -22.139 2.594 -1.379 1.00 0.00 C ATOM 901 CD GLU 2 2 -22.851 2.373 -0.043 1.00 0.00 C ATOM 902 OE1 GLU 2 2 -22.291 1.616 0.780 1.00 0.00 O ATOM 903 OE2 GLU 2 2 -23.937 2.967 0.126 1.00 0.00 O ATOM 0 H GLU 2 2 -20.257 0.732 0.191 1.00 0.00 H new ATOM 0 HA GLU 2 2 -20.185 1.360 -2.641 1.00 0.00 H new ATOM 0 HB2 GLU 2 2 -20.443 3.015 -0.114 1.00 0.00 H new ATOM 0 HB3 GLU 2 2 -20.334 3.728 -1.711 1.00 0.00 H new ATOM 0 HG2 GLU 2 2 -22.579 3.449 -1.893 1.00 0.00 H new ATOM 0 HG3 GLU 2 2 -22.286 1.726 -2.021 1.00 0.00 H new ATOM 910 N TYR 2 3 -17.567 1.034 -2.256 1.00 0.00 N ATOM 911 CA TYR 2 3 -16.138 1.234 -2.418 1.00 0.00 C ATOM 912 C TYR 2 3 -15.818 1.812 -3.797 1.00 0.00 C ATOM 913 O TYR 2 3 -15.323 1.102 -4.672 1.00 0.00 O ATOM 914 CB TYR 2 3 -15.502 -0.151 -2.297 1.00 0.00 C ATOM 915 CG TYR 2 3 -15.247 -0.597 -0.856 1.00 0.00 C ATOM 916 CD1 TYR 2 3 -16.308 -0.786 0.007 1.00 0.00 C ATOM 917 CD2 TYR 2 3 -13.956 -0.809 -0.418 1.00 0.00 C ATOM 918 CE1 TYR 2 3 -16.068 -1.205 1.363 1.00 0.00 C ATOM 919 CE2 TYR 2 3 -13.716 -1.228 0.939 1.00 0.00 C ATOM 920 CZ TYR 2 3 -14.784 -1.405 1.763 1.00 0.00 C ATOM 921 OH TYR 2 3 -14.557 -1.800 3.043 1.00 0.00 O ATOM 0 H TYR 2 3 -17.906 0.118 -2.551 1.00 0.00 H new ATOM 0 HA TYR 2 3 -15.761 1.933 -1.671 1.00 0.00 H new ATOM 0 HB2 TYR 2 3 -16.150 -0.880 -2.783 1.00 0.00 H new ATOM 0 HB3 TYR 2 3 -14.557 -0.154 -2.840 1.00 0.00 H new ATOM 0 HD1 TYR 2 3 -17.319 -0.619 -0.336 1.00 0.00 H new ATOM 0 HD2 TYR 2 3 -13.126 -0.661 -1.092 1.00 0.00 H new ATOM 0 HE1 TYR 2 3 -16.889 -1.357 2.047 1.00 0.00 H new ATOM 0 HE2 TYR 2 3 -12.710 -1.398 1.295 1.00 0.00 H new ATOM 0 HH TYR 2 3 -13.593 -1.905 3.187 1.00 0.00 H new ATOM 931 N VAL 2 4 -16.111 3.095 -3.950 1.00 0.00 N ATOM 932 CA VAL 2 4 -15.860 3.776 -5.209 1.00 0.00 C ATOM 933 C VAL 2 4 -14.931 4.966 -4.963 1.00 0.00 C ATOM 934 O VAL 2 4 -13.935 5.136 -5.665 1.00 0.00 O ATOM 935 CB VAL 2 4 -17.186 4.177 -5.860 1.00 0.00 C ATOM 936 CG1 VAL 2 4 -18.172 4.705 -4.815 1.00 0.00 C ATOM 937 CG2 VAL 2 4 -16.962 5.204 -6.971 1.00 0.00 C ATOM 0 H VAL 2 4 -16.520 3.681 -3.222 1.00 0.00 H new ATOM 0 HA VAL 2 4 -15.357 3.110 -5.910 1.00 0.00 H new ATOM 0 HB VAL 2 4 -17.622 3.285 -6.311 1.00 0.00 H new ATOM 0 HG11 VAL 2 4 -19.106 4.983 -5.304 1.00 0.00 H new ATOM 0 HG12 VAL 2 4 -18.367 3.930 -4.074 1.00 0.00 H new ATOM 0 HG13 VAL 2 4 -17.746 5.579 -4.322 1.00 0.00 H new ATOM 0 HG21 VAL 2 4 -17.920 5.472 -7.417 1.00 0.00 H new ATOM 0 HG22 VAL 2 4 -16.494 6.095 -6.553 1.00 0.00 H new ATOM 0 HG23 VAL 2 4 -16.312 4.777 -7.735 1.00 0.00 H new ATOM 947 N GLY 2 5 -15.289 5.760 -3.964 1.00 0.00 N ATOM 948 CA GLY 2 5 -14.499 6.929 -3.618 1.00 0.00 C ATOM 949 C GLY 2 5 -13.164 6.523 -2.992 1.00 0.00 C ATOM 950 O GLY 2 5 -12.343 7.378 -2.662 1.00 0.00 O ATOM 0 H GLY 2 5 -16.115 5.616 -3.384 1.00 0.00 H new ATOM 0 HA2 GLY 2 5 -14.319 7.528 -4.511 1.00 0.00 H new ATOM 0 HA3 GLY 2 5 -15.056 7.555 -2.921 1.00 0.00 H new ATOM 954 N LEU 2 6 -12.988 5.218 -2.844 1.00 0.00 N ATOM 955 CA LEU 2 6 -11.767 4.689 -2.263 1.00 0.00 C ATOM 956 C LEU 2 6 -11.179 3.630 -3.199 1.00 0.00 C ATOM 957 O LEU 2 6 -10.212 2.955 -2.849 1.00 0.00 O ATOM 958 CB LEU 2 6 -12.025 4.180 -0.844 1.00 0.00 C ATOM 959 CG LEU 2 6 -13.360 4.587 -0.219 1.00 0.00 C ATOM 960 CD1 LEU 2 6 -13.501 6.110 -0.168 1.00 0.00 C ATOM 961 CD2 LEU 2 6 -14.532 3.927 -0.949 1.00 0.00 C ATOM 0 H LEU 2 6 -13.671 4.512 -3.117 1.00 0.00 H new ATOM 0 HA LEU 2 6 -11.021 5.477 -2.163 1.00 0.00 H new ATOM 0 HB2 LEU 2 6 -11.968 3.092 -0.854 1.00 0.00 H new ATOM 0 HB3 LEU 2 6 -11.221 4.536 -0.200 1.00 0.00 H new ATOM 0 HG LEU 2 6 -13.378 4.228 0.810 1.00 0.00 H new ATOM 0 HD11 LEU 2 6 -14.459 6.372 0.281 1.00 0.00 H new ATOM 0 HD12 LEU 2 6 -12.693 6.530 0.431 1.00 0.00 H new ATOM 0 HD13 LEU 2 6 -13.452 6.514 -1.179 1.00 0.00 H new ATOM 0 HD21 LEU 2 6 -15.469 4.233 -0.484 1.00 0.00 H new ATOM 0 HD22 LEU 2 6 -14.528 4.234 -1.995 1.00 0.00 H new ATOM 0 HD23 LEU 2 6 -14.434 2.843 -0.888 1.00 0.00 H new ATOM 973 N SER 2 7 -11.789 3.515 -4.370 1.00 0.00 N ATOM 974 CA SER 2 7 -11.339 2.550 -5.357 1.00 0.00 C ATOM 975 C SER 2 7 -10.684 3.274 -6.536 1.00 0.00 C ATOM 976 O SER 2 7 -10.276 4.426 -6.411 1.00 0.00 O ATOM 977 CB SER 2 7 -12.499 1.681 -5.847 1.00 0.00 C ATOM 978 OG SER 2 7 -12.051 0.428 -6.357 1.00 0.00 O ATOM 0 H SER 2 7 -12.592 4.075 -4.657 1.00 0.00 H new ATOM 0 HA SER 2 7 -10.605 1.897 -4.886 1.00 0.00 H new ATOM 0 HB2 SER 2 7 -13.195 1.510 -5.026 1.00 0.00 H new ATOM 0 HB3 SER 2 7 -13.047 2.213 -6.624 1.00 0.00 H new ATOM 0 HG SER 2 7 -12.822 -0.097 -6.658 1.00 0.00 H new ATOM 984 N ALA 2 8 -10.606 2.566 -7.654 1.00 0.00 N ATOM 985 CA ALA 2 8 -10.008 3.127 -8.853 1.00 0.00 C ATOM 986 C ALA 2 8 -10.734 4.421 -9.223 1.00 0.00 C ATOM 987 O ALA 2 8 -11.669 4.406 -10.023 1.00 0.00 O ATOM 988 CB ALA 2 8 -10.054 2.090 -9.978 1.00 0.00 C ATOM 0 H ALA 2 8 -10.947 1.610 -7.754 1.00 0.00 H new ATOM 0 HA ALA 2 8 -8.961 3.375 -8.680 1.00 0.00 H new ATOM 0 HB1 ALA 2 8 -9.606 2.510 -10.878 1.00 0.00 H new ATOM 0 HB2 ALA 2 8 -9.499 1.201 -9.677 1.00 0.00 H new ATOM 0 HB3 ALA 2 8 -11.090 1.819 -10.181 1.00 0.00 H new ATOM 994 N ASN 2 9 -10.277 5.511 -8.623 1.00 0.00 N ATOM 995 CA ASN 2 9 -10.872 6.811 -8.880 1.00 0.00 C ATOM 996 C ASN 2 9 -10.465 7.781 -7.769 1.00 0.00 C ATOM 997 O ASN 2 9 -10.417 8.991 -7.983 1.00 0.00 O ATOM 998 CB ASN 2 9 -12.400 6.724 -8.896 1.00 0.00 C ATOM 999 CG ASN 2 9 -13.028 8.114 -8.766 1.00 0.00 C ATOM 1000 OD1 ASN 2 9 -12.518 9.018 -9.595 1.00 0.00 O flip ATOM 1001 ND2 ASN 2 9 -13.919 8.348 -7.965 1.00 0.00 N flip ATOM 0 H ASN 2 9 -9.502 5.520 -7.960 1.00 0.00 H new ATOM 0 HA ASN 2 9 -10.521 7.157 -9.852 1.00 0.00 H new ATOM 0 HB2 ASN 2 9 -12.732 6.256 -9.823 1.00 0.00 H new ATOM 0 HB3 ASN 2 9 -12.741 6.089 -8.078 1.00 0.00 H new ATOM 0 HD21 ASN 2 9 -14.265 7.606 -7.356 1.00 0.00 H new ATOM 0 HD22 ASN 2 9 -14.317 9.285 -7.904 1.00 0.00 H new ATOM 1008 N GLN 2 10 -10.182 7.213 -6.606 1.00 0.00 N ATOM 1009 CA GLN 2 10 -9.781 8.014 -5.461 1.00 0.00 C ATOM 1010 C GLN 2 10 -8.433 8.685 -5.730 1.00 0.00 C ATOM 1011 O GLN 2 10 -8.165 9.772 -5.220 1.00 0.00 O ATOM 1012 CB GLN 2 10 -9.725 7.162 -4.190 1.00 0.00 C ATOM 1013 CG GLN 2 10 -9.261 7.995 -2.993 1.00 0.00 C ATOM 1014 CD GLN 2 10 -9.718 7.363 -1.676 1.00 0.00 C ATOM 1015 OE1 GLN 2 10 -8.979 6.327 -1.289 1.00 0.00 O flip ATOM 1016 NE2 GLN 2 10 -10.677 7.788 -1.054 1.00 0.00 N flip ATOM 0 H GLN 2 10 -10.222 6.209 -6.432 1.00 0.00 H new ATOM 0 HA GLN 2 10 -10.528 8.792 -5.306 1.00 0.00 H new ATOM 0 HB2 GLN 2 10 -10.710 6.742 -3.986 1.00 0.00 H new ATOM 0 HB3 GLN 2 10 -9.045 6.323 -4.340 1.00 0.00 H new ATOM 0 HG2 GLN 2 10 -8.174 8.079 -3.003 1.00 0.00 H new ATOM 0 HG3 GLN 2 10 -9.659 9.006 -3.073 1.00 0.00 H new ATOM 0 HE21 GLN 2 10 -11.201 8.588 -1.409 1.00 0.00 H new ATOM 0 HE22 GLN 2 10 -10.955 7.343 -0.179 1.00 0.00 H new ATOM 1025 N CYS 2 11 -7.620 8.012 -6.529 1.00 0.00 N ATOM 1026 CA CYS 2 11 -6.307 8.530 -6.872 1.00 0.00 C ATOM 1027 C CYS 2 11 -6.489 9.892 -7.545 1.00 0.00 C ATOM 1028 O CYS 2 11 -5.528 10.644 -7.703 1.00 0.00 O ATOM 1029 CB CYS 2 11 -5.526 7.556 -7.757 1.00 0.00 C ATOM 1030 SG CYS 2 11 -4.598 6.268 -6.847 1.00 0.00 S ATOM 0 H CYS 2 11 -7.845 7.111 -6.950 1.00 0.00 H new ATOM 0 HA CYS 2 11 -5.713 8.649 -5.966 1.00 0.00 H new ATOM 0 HB2 CYS 2 11 -6.222 7.069 -8.439 1.00 0.00 H new ATOM 0 HB3 CYS 2 11 -4.826 8.125 -8.369 1.00 0.00 H new ATOM 0 HG CYS 2 11 -3.332 6.367 -7.126 1.00 0.00 H new ATOM 1035 N ALA 2 12 -7.728 10.169 -7.923 1.00 0.00 N ATOM 1036 CA ALA 2 12 -8.049 11.427 -8.575 1.00 0.00 C ATOM 1037 C ALA 2 12 -8.894 12.285 -7.632 1.00 0.00 C ATOM 1038 O ALA 2 12 -9.623 13.170 -8.077 1.00 0.00 O ATOM 1039 CB ALA 2 12 -8.758 11.148 -9.902 1.00 0.00 C ATOM 0 H ALA 2 12 -8.522 9.543 -7.790 1.00 0.00 H new ATOM 0 HA ALA 2 12 -7.140 11.984 -8.802 1.00 0.00 H new ATOM 0 HB1 ALA 2 12 -8.999 12.092 -10.391 1.00 0.00 H new ATOM 0 HB2 ALA 2 12 -8.104 10.561 -10.547 1.00 0.00 H new ATOM 0 HB3 ALA 2 12 -9.676 10.592 -9.714 1.00 0.00 H new ATOM 1045 N VAL 2 13 -8.767 11.994 -6.346 1.00 0.00 N ATOM 1046 CA VAL 2 13 -9.510 12.727 -5.336 1.00 0.00 C ATOM 1047 C VAL 2 13 -9.481 14.220 -5.671 1.00 0.00 C ATOM 1048 O VAL 2 13 -8.717 14.651 -6.533 1.00 0.00 O ATOM 1049 CB VAL 2 13 -8.951 12.415 -3.946 1.00 0.00 C ATOM 1050 CG1 VAL 2 13 -8.188 13.615 -3.380 1.00 0.00 C ATOM 1051 CG2 VAL 2 13 -10.064 11.975 -2.993 1.00 0.00 C ATOM 0 H VAL 2 13 -8.160 11.260 -5.980 1.00 0.00 H new ATOM 0 HA VAL 2 13 -10.555 12.416 -5.329 1.00 0.00 H new ATOM 0 HB VAL 2 13 -8.249 11.587 -4.046 1.00 0.00 H new ATOM 0 HG11 VAL 2 13 -7.801 13.367 -2.392 1.00 0.00 H new ATOM 0 HG12 VAL 2 13 -7.359 13.864 -4.042 1.00 0.00 H new ATOM 0 HG13 VAL 2 13 -8.860 14.470 -3.303 1.00 0.00 H new ATOM 0 HG21 VAL 2 13 -9.639 11.759 -2.013 1.00 0.00 H new ATOM 0 HG22 VAL 2 13 -10.801 12.773 -2.902 1.00 0.00 H new ATOM 0 HG23 VAL 2 13 -10.545 11.079 -3.385 1.00 0.00 H new ATOM 1061 N PRO 2 14 -10.345 14.987 -4.954 1.00 0.00 N ATOM 1062 CA PRO 2 14 -10.426 16.422 -5.166 1.00 0.00 C ATOM 1063 C PRO 2 14 -9.223 17.137 -4.547 1.00 0.00 C ATOM 1064 O PRO 2 14 -9.306 18.314 -4.201 1.00 0.00 O ATOM 1065 CB PRO 2 14 -11.749 16.838 -4.545 1.00 0.00 C ATOM 1066 CG PRO 2 14 -12.140 15.710 -3.604 1.00 0.00 C ATOM 1067 CD PRO 2 14 -11.265 14.510 -3.925 1.00 0.00 C ATOM 0 HA PRO 2 14 -10.394 16.693 -6.221 1.00 0.00 H new ATOM 0 HB2 PRO 2 14 -11.648 17.780 -4.005 1.00 0.00 H new ATOM 0 HB3 PRO 2 14 -12.510 16.989 -5.311 1.00 0.00 H new ATOM 0 HG2 PRO 2 14 -12.004 16.014 -2.566 1.00 0.00 H new ATOM 0 HG3 PRO 2 14 -13.193 15.458 -3.727 1.00 0.00 H new ATOM 0 HD2 PRO 2 14 -10.727 14.165 -3.042 1.00 0.00 H new ATOM 0 HD3 PRO 2 14 -11.860 13.671 -4.284 1.00 0.00 H new ATOM 1075 N ALA 2 15 -8.132 16.394 -4.424 1.00 0.00 N ATOM 1076 CA ALA 2 15 -6.914 16.942 -3.852 1.00 0.00 C ATOM 1077 C ALA 2 15 -7.256 17.709 -2.574 1.00 0.00 C ATOM 1078 O ALA 2 15 -7.129 18.932 -2.527 1.00 0.00 O ATOM 1079 CB ALA 2 15 -6.212 17.820 -4.890 1.00 0.00 C ATOM 0 H ALA 2 15 -8.067 15.417 -4.711 1.00 0.00 H new ATOM 0 HA ALA 2 15 -6.224 16.143 -3.581 1.00 0.00 H new ATOM 0 HB1 ALA 2 15 -5.298 18.231 -4.461 1.00 0.00 H new ATOM 0 HB2 ALA 2 15 -5.964 17.220 -5.766 1.00 0.00 H new ATOM 0 HB3 ALA 2 15 -6.873 18.635 -5.184 1.00 0.00 H new ATOM 1085 N LYS 2 16 -7.685 16.960 -1.568 1.00 0.00 N ATOM 1086 CA LYS 2 16 -8.046 17.555 -0.294 1.00 0.00 C ATOM 1087 C LYS 2 16 -8.862 16.549 0.522 1.00 0.00 C ATOM 1088 O LYS 2 16 -9.857 16.912 1.146 1.00 0.00 O ATOM 1089 CB LYS 2 16 -8.758 18.893 -0.509 1.00 0.00 C ATOM 1090 CG LYS 2 16 -9.737 18.810 -1.682 1.00 0.00 C ATOM 1091 CD LYS 2 16 -11.158 19.160 -1.237 1.00 0.00 C ATOM 1092 CE LYS 2 16 -11.937 17.902 -0.851 1.00 0.00 C ATOM 1093 NZ LYS 2 16 -12.653 18.106 0.429 1.00 0.00 N ATOM 0 H LYS 2 16 -7.790 15.946 -1.611 1.00 0.00 H new ATOM 0 HA LYS 2 16 -7.152 17.785 0.285 1.00 0.00 H new ATOM 0 HB2 LYS 2 16 -9.294 19.174 0.398 1.00 0.00 H new ATOM 0 HB3 LYS 2 16 -8.022 19.674 -0.699 1.00 0.00 H new ATOM 0 HG2 LYS 2 16 -9.422 19.491 -2.472 1.00 0.00 H new ATOM 0 HG3 LYS 2 16 -9.721 17.805 -2.103 1.00 0.00 H new ATOM 0 HD2 LYS 2 16 -11.119 19.843 -0.388 1.00 0.00 H new ATOM 0 HD3 LYS 2 16 -11.677 19.681 -2.042 1.00 0.00 H new ATOM 0 HE2 LYS 2 16 -12.650 17.653 -1.637 1.00 0.00 H new ATOM 0 HE3 LYS 2 16 -11.254 17.057 -0.761 1.00 0.00 H new ATOM 0 HZ1 LYS 2 16 -13.519 17.531 0.438 1.00 0.00 H new ATOM 0 HZ2 LYS 2 16 -12.040 17.821 1.219 1.00 0.00 H new ATOM 0 HZ3 LYS 2 16 -12.903 19.110 0.530 1.00 0.00 H new ATOM 1107 N ASP 2 17 -8.410 15.304 0.488 1.00 0.00 N ATOM 1108 CA ASP 2 17 -9.085 14.243 1.215 1.00 0.00 C ATOM 1109 C ASP 2 17 -8.158 13.030 1.317 1.00 0.00 C ATOM 1110 O ASP 2 17 -8.608 11.923 1.609 1.00 0.00 O ATOM 1111 CB ASP 2 17 -10.360 13.804 0.492 1.00 0.00 C ATOM 1112 CG ASP 2 17 -11.372 13.057 1.362 1.00 0.00 C ATOM 1113 OD1 ASP 2 17 -11.221 13.133 2.601 1.00 0.00 O ATOM 1114 OD2 ASP 2 17 -12.275 12.428 0.770 1.00 0.00 O ATOM 0 H ASP 2 17 -7.584 15.006 -0.032 1.00 0.00 H new ATOM 0 HA ASP 2 17 -9.344 14.624 2.203 1.00 0.00 H new ATOM 0 HB2 ASP 2 17 -10.845 14.686 0.074 1.00 0.00 H new ATOM 0 HB3 ASP 2 17 -10.083 13.165 -0.346 1.00 0.00 H new ATOM 1119 N ARG 2 18 -6.880 13.279 1.070 1.00 0.00 N ATOM 1120 CA ARG 2 18 -5.885 12.222 1.129 1.00 0.00 C ATOM 1121 C ARG 2 18 -5.303 12.120 2.540 1.00 0.00 C ATOM 1122 O ARG 2 18 -5.712 12.853 3.439 1.00 0.00 O ATOM 1123 CB ARG 2 18 -4.752 12.475 0.133 1.00 0.00 C ATOM 1124 CG ARG 2 18 -5.303 12.762 -1.264 1.00 0.00 C ATOM 1125 CD ARG 2 18 -4.435 13.787 -1.996 1.00 0.00 C ATOM 1126 NE ARG 2 18 -4.800 13.829 -3.430 1.00 0.00 N ATOM 1127 CZ ARG 2 18 -4.056 14.413 -4.378 1.00 0.00 C ATOM 1128 NH1 ARG 2 18 -2.902 15.010 -4.050 1.00 0.00 N ATOM 1129 NH2 ARG 2 18 -4.466 14.402 -5.654 1.00 0.00 N ATOM 0 H ARG 2 18 -6.511 14.199 0.828 1.00 0.00 H new ATOM 0 HA ARG 2 18 -6.379 11.286 0.868 1.00 0.00 H new ATOM 0 HB2 ARG 2 18 -4.149 13.318 0.470 1.00 0.00 H new ATOM 0 HB3 ARG 2 18 -4.094 11.607 0.097 1.00 0.00 H new ATOM 0 HG2 ARG 2 18 -5.344 11.837 -1.840 1.00 0.00 H new ATOM 0 HG3 ARG 2 18 -6.324 13.134 -1.186 1.00 0.00 H new ATOM 0 HD2 ARG 2 18 -4.568 14.773 -1.550 1.00 0.00 H new ATOM 0 HD3 ARG 2 18 -3.382 13.527 -1.888 1.00 0.00 H new ATOM 0 HE ARG 2 18 -5.673 13.385 -3.714 1.00 0.00 H new ATOM 0 HH11 ARG 2 18 -2.591 15.019 -3.079 1.00 0.00 H new ATOM 0 HH12 ARG 2 18 -2.335 15.455 -4.772 1.00 0.00 H new ATOM 0 HH21 ARG 2 18 -5.345 13.949 -5.903 1.00 0.00 H new ATOM 0 HH22 ARG 2 18 -3.899 14.847 -6.376 1.00 0.00 H new ATOM 1143 N VAL 2 19 -4.357 11.205 2.691 1.00 0.00 N ATOM 1144 CA VAL 2 19 -3.714 10.998 3.977 1.00 0.00 C ATOM 1145 C VAL 2 19 -2.267 11.488 3.903 1.00 0.00 C ATOM 1146 O VAL 2 19 -1.440 11.122 4.738 1.00 0.00 O ATOM 1147 CB VAL 2 19 -3.827 9.528 4.388 1.00 0.00 C ATOM 1148 CG1 VAL 2 19 -3.226 9.299 5.776 1.00 0.00 C ATOM 1149 CG2 VAL 2 19 -5.281 9.054 4.333 1.00 0.00 C ATOM 0 H VAL 2 19 -4.020 10.598 1.943 1.00 0.00 H new ATOM 0 HA VAL 2 19 -4.215 11.578 4.752 1.00 0.00 H new ATOM 0 HB VAL 2 19 -3.255 8.935 3.674 1.00 0.00 H new ATOM 0 HG11 VAL 2 19 -3.319 8.247 6.044 1.00 0.00 H new ATOM 0 HG12 VAL 2 19 -2.173 9.579 5.767 1.00 0.00 H new ATOM 0 HG13 VAL 2 19 -3.757 9.908 6.507 1.00 0.00 H new ATOM 0 HG21 VAL 2 19 -5.334 8.006 4.630 1.00 0.00 H new ATOM 0 HG22 VAL 2 19 -5.885 9.654 5.013 1.00 0.00 H new ATOM 0 HG23 VAL 2 19 -5.661 9.163 3.317 1.00 0.00 H new ATOM 1159 N ASP 2 20 -2.004 12.311 2.897 1.00 0.00 N ATOM 1160 CA ASP 2 20 -0.671 12.855 2.705 1.00 0.00 C ATOM 1161 C ASP 2 20 0.367 11.823 3.151 1.00 0.00 C ATOM 1162 O ASP 2 20 0.844 11.868 4.285 1.00 0.00 O ATOM 1163 CB ASP 2 20 -0.467 14.121 3.538 1.00 0.00 C ATOM 1164 CG ASP 2 20 0.985 14.425 3.910 1.00 0.00 C ATOM 1165 OD1 ASP 2 20 1.785 14.614 2.967 1.00 0.00 O ATOM 1166 OD2 ASP 2 20 1.264 14.461 5.128 1.00 0.00 O ATOM 0 H ASP 2 20 -2.692 12.614 2.207 1.00 0.00 H new ATOM 0 HA ASP 2 20 -0.555 13.096 1.648 1.00 0.00 H new ATOM 0 HB2 ASP 2 20 -0.870 14.970 2.985 1.00 0.00 H new ATOM 0 HB3 ASP 2 20 -1.050 14.032 4.455 1.00 0.00 H new ATOM 1171 N CYS 2 21 0.685 10.917 2.239 1.00 0.00 N ATOM 1172 CA CYS 2 21 1.656 9.875 2.525 1.00 0.00 C ATOM 1173 C CYS 2 21 2.904 10.533 3.120 1.00 0.00 C ATOM 1174 O CYS 2 21 3.534 9.978 4.019 1.00 0.00 O ATOM 1175 CB CYS 2 21 1.986 9.051 1.278 1.00 0.00 C ATOM 1176 SG CYS 2 21 2.675 7.390 1.618 1.00 0.00 S ATOM 0 H CYS 2 21 0.287 10.883 1.300 1.00 0.00 H new ATOM 0 HA CYS 2 21 1.237 9.172 3.245 1.00 0.00 H new ATOM 0 HB2 CYS 2 21 1.079 8.938 0.683 1.00 0.00 H new ATOM 0 HB3 CYS 2 21 2.699 9.608 0.670 1.00 0.00 H new ATOM 1181 N GLY 2 22 3.222 11.707 2.595 1.00 0.00 N ATOM 1182 CA GLY 2 22 4.383 12.445 3.063 1.00 0.00 C ATOM 1183 C GLY 2 22 5.603 11.529 3.187 1.00 0.00 C ATOM 1184 O GLY 2 22 6.144 11.355 4.276 1.00 0.00 O ATOM 0 H GLY 2 22 2.696 12.165 1.851 1.00 0.00 H new ATOM 0 HA2 GLY 2 22 4.604 13.259 2.372 1.00 0.00 H new ATOM 0 HA3 GLY 2 22 4.165 12.898 4.030 1.00 0.00 H new ATOM 1188 N TYR 2 23 5.999 10.969 2.053 1.00 0.00 N ATOM 1189 CA TYR 2 23 7.145 10.075 2.021 1.00 0.00 C ATOM 1190 C TYR 2 23 8.434 10.847 1.729 1.00 0.00 C ATOM 1191 O TYR 2 23 8.410 11.862 1.035 1.00 0.00 O ATOM 1192 CB TYR 2 23 6.881 9.094 0.878 1.00 0.00 C ATOM 1193 CG TYR 2 23 6.388 7.720 1.338 1.00 0.00 C ATOM 1194 CD1 TYR 2 23 6.873 7.169 2.505 1.00 0.00 C ATOM 1195 CD2 TYR 2 23 5.458 7.033 0.584 1.00 0.00 C ATOM 1196 CE1 TYR 2 23 6.409 5.876 2.939 1.00 0.00 C ATOM 1197 CE2 TYR 2 23 4.994 5.741 1.017 1.00 0.00 C ATOM 1198 CZ TYR 2 23 5.492 5.226 2.172 1.00 0.00 C ATOM 1199 OH TYR 2 23 5.053 4.006 2.581 1.00 0.00 O ATOM 0 H TYR 2 23 5.547 11.117 1.150 1.00 0.00 H new ATOM 0 HA TYR 2 23 7.269 9.574 2.981 1.00 0.00 H new ATOM 0 HB2 TYR 2 23 6.141 9.527 0.205 1.00 0.00 H new ATOM 0 HB3 TYR 2 23 7.799 8.966 0.304 1.00 0.00 H new ATOM 0 HD1 TYR 2 23 7.601 7.707 3.094 1.00 0.00 H new ATOM 0 HD2 TYR 2 23 5.079 7.465 -0.330 1.00 0.00 H new ATOM 0 HE1 TYR 2 23 6.780 5.433 3.851 1.00 0.00 H new ATOM 0 HE2 TYR 2 23 4.266 5.193 0.437 1.00 0.00 H new ATOM 0 HH TYR 2 23 5.598 3.306 2.165 1.00 0.00 H new ATOM 1209 N PRO 2 24 9.556 10.322 2.287 1.00 0.00 N ATOM 1210 CA PRO 2 24 10.852 10.950 2.094 1.00 0.00 C ATOM 1211 C PRO 2 24 11.387 10.682 0.686 1.00 0.00 C ATOM 1212 O PRO 2 24 12.410 11.239 0.290 1.00 0.00 O ATOM 1213 CB PRO 2 24 11.737 10.369 3.185 1.00 0.00 C ATOM 1214 CG PRO 2 24 11.043 9.102 3.655 1.00 0.00 C ATOM 1215 CD PRO 2 24 9.622 9.121 3.116 1.00 0.00 C ATOM 0 HA PRO 2 24 10.808 12.036 2.171 1.00 0.00 H new ATOM 0 HB2 PRO 2 24 12.734 10.149 2.803 1.00 0.00 H new ATOM 0 HB3 PRO 2 24 11.859 11.075 4.006 1.00 0.00 H new ATOM 0 HG2 PRO 2 24 11.575 8.220 3.297 1.00 0.00 H new ATOM 0 HG3 PRO 2 24 11.038 9.051 4.744 1.00 0.00 H new ATOM 0 HD2 PRO 2 24 9.408 8.225 2.533 1.00 0.00 H new ATOM 0 HD3 PRO 2 24 8.892 9.157 3.925 1.00 0.00 H new ATOM 1223 N HIS 2 25 10.670 9.830 -0.032 1.00 0.00 N ATOM 1224 CA HIS 2 25 11.059 9.483 -1.389 1.00 0.00 C ATOM 1225 C HIS 2 25 9.906 9.786 -2.347 1.00 0.00 C ATOM 1226 O HIS 2 25 9.925 9.362 -3.501 1.00 0.00 O ATOM 1227 CB HIS 2 25 11.524 8.027 -1.464 1.00 0.00 C ATOM 1228 CG HIS 2 25 12.992 7.867 -1.779 1.00 0.00 C ATOM 1229 ND1 HIS 2 25 13.473 7.748 -3.071 1.00 0.00 N ATOM 1230 CD2 HIS 2 25 14.079 7.809 -0.957 1.00 0.00 C ATOM 1231 CE1 HIS 2 25 14.790 7.623 -3.018 1.00 0.00 C ATOM 1232 NE2 HIS 2 25 15.164 7.661 -1.707 1.00 0.00 N ATOM 0 H HIS 2 25 9.822 9.370 0.300 1.00 0.00 H new ATOM 0 HA HIS 2 25 11.909 10.093 -1.695 1.00 0.00 H new ATOM 0 HB2 HIS 2 25 11.312 7.539 -0.513 1.00 0.00 H new ATOM 0 HB3 HIS 2 25 10.941 7.509 -2.225 1.00 0.00 H new ATOM 0 HD1 HIS 2 25 12.908 7.755 -3.920 1.00 0.00 H new ATOM 0 HD2 HIS 2 25 14.060 7.873 0.121 1.00 0.00 H new ATOM 0 HE1 HIS 2 25 15.452 7.511 -3.864 1.00 0.00 H new ATOM 1241 N VAL 2 26 8.929 10.519 -1.833 1.00 0.00 N ATOM 1242 CA VAL 2 26 7.770 10.885 -2.629 1.00 0.00 C ATOM 1243 C VAL 2 26 8.216 11.193 -4.060 1.00 0.00 C ATOM 1244 O VAL 2 26 8.951 12.152 -4.292 1.00 0.00 O ATOM 1245 CB VAL 2 26 7.029 12.050 -1.970 1.00 0.00 C ATOM 1246 CG1 VAL 2 26 8.011 13.110 -1.468 1.00 0.00 C ATOM 1247 CG2 VAL 2 26 6.005 12.661 -2.929 1.00 0.00 C ATOM 0 H VAL 2 26 8.916 10.869 -0.875 1.00 0.00 H new ATOM 0 HA VAL 2 26 7.064 10.056 -2.680 1.00 0.00 H new ATOM 0 HB VAL 2 26 6.489 11.659 -1.108 1.00 0.00 H new ATOM 0 HG11 VAL 2 26 7.459 13.927 -1.004 1.00 0.00 H new ATOM 0 HG12 VAL 2 26 8.684 12.665 -0.735 1.00 0.00 H new ATOM 0 HG13 VAL 2 26 8.591 13.495 -2.307 1.00 0.00 H new ATOM 0 HG21 VAL 2 26 5.492 13.487 -2.436 1.00 0.00 H new ATOM 0 HG22 VAL 2 26 6.515 13.030 -3.819 1.00 0.00 H new ATOM 0 HG23 VAL 2 26 5.277 11.902 -3.216 1.00 0.00 H new ATOM 1257 N THR 2 27 7.752 10.363 -4.982 1.00 0.00 N ATOM 1258 CA THR 2 27 8.093 10.535 -6.384 1.00 0.00 C ATOM 1259 C THR 2 27 7.109 9.770 -7.272 1.00 0.00 C ATOM 1260 O THR 2 27 6.470 8.821 -6.819 1.00 0.00 O ATOM 1261 CB THR 2 27 9.548 10.097 -6.573 1.00 0.00 C ATOM 1262 OG1 THR 2 27 10.194 11.257 -7.090 1.00 0.00 O ATOM 1263 CG2 THR 2 27 9.707 9.056 -7.683 1.00 0.00 C ATOM 0 H THR 2 27 7.142 9.569 -4.786 1.00 0.00 H new ATOM 0 HA THR 2 27 8.009 11.579 -6.686 1.00 0.00 H new ATOM 0 HB THR 2 27 9.929 9.690 -5.637 1.00 0.00 H new ATOM 0 HG1 THR 2 27 11.143 11.063 -7.241 1.00 0.00 H new ATOM 0 HG21 THR 2 27 10.757 8.780 -7.775 1.00 0.00 H new ATOM 0 HG22 THR 2 27 9.119 8.171 -7.439 1.00 0.00 H new ATOM 0 HG23 THR 2 27 9.357 9.474 -8.627 1.00 0.00 H new ATOM 1271 N PRO 2 28 7.016 10.223 -8.550 1.00 0.00 N ATOM 1272 CA PRO 2 28 6.120 9.592 -9.504 1.00 0.00 C ATOM 1273 C PRO 2 28 6.684 8.253 -9.983 1.00 0.00 C ATOM 1274 O PRO 2 28 6.725 7.985 -11.182 1.00 0.00 O ATOM 1275 CB PRO 2 28 5.964 10.606 -10.626 1.00 0.00 C ATOM 1276 CG PRO 2 28 7.134 11.565 -10.487 1.00 0.00 C ATOM 1277 CD PRO 2 28 7.759 11.344 -9.120 1.00 0.00 C ATOM 0 HA PRO 2 28 5.151 9.344 -9.071 1.00 0.00 H new ATOM 0 HB2 PRO 2 28 5.974 10.116 -11.600 1.00 0.00 H new ATOM 0 HB3 PRO 2 28 5.014 11.135 -10.545 1.00 0.00 H new ATOM 0 HG2 PRO 2 28 7.867 11.389 -11.274 1.00 0.00 H new ATOM 0 HG3 PRO 2 28 6.796 12.596 -10.590 1.00 0.00 H new ATOM 0 HD2 PRO 2 28 8.821 11.114 -9.203 1.00 0.00 H new ATOM 0 HD3 PRO 2 28 7.673 12.234 -8.497 1.00 0.00 H new ATOM 1285 N LYS 2 29 7.105 7.446 -9.019 1.00 0.00 N ATOM 1286 CA LYS 2 29 7.665 6.140 -9.328 1.00 0.00 C ATOM 1287 C LYS 2 29 8.024 5.425 -8.024 1.00 0.00 C ATOM 1288 O LYS 2 29 8.211 4.209 -8.011 1.00 0.00 O ATOM 1289 CB LYS 2 29 8.840 6.277 -10.298 1.00 0.00 C ATOM 1290 CG LYS 2 29 8.936 5.057 -11.217 1.00 0.00 C ATOM 1291 CD LYS 2 29 9.368 5.466 -12.627 1.00 0.00 C ATOM 1292 CE LYS 2 29 8.808 4.501 -13.674 1.00 0.00 C ATOM 1293 NZ LYS 2 29 8.934 5.078 -15.030 1.00 0.00 N ATOM 0 H LYS 2 29 7.070 7.671 -8.025 1.00 0.00 H new ATOM 0 HA LYS 2 29 6.929 5.520 -9.841 1.00 0.00 H new ATOM 0 HB2 LYS 2 29 8.719 7.180 -10.897 1.00 0.00 H new ATOM 0 HB3 LYS 2 29 9.768 6.389 -9.737 1.00 0.00 H new ATOM 0 HG2 LYS 2 29 9.650 4.343 -10.807 1.00 0.00 H new ATOM 0 HG3 LYS 2 29 7.971 4.553 -11.260 1.00 0.00 H new ATOM 0 HD2 LYS 2 29 9.022 6.478 -12.838 1.00 0.00 H new ATOM 0 HD3 LYS 2 29 10.456 5.482 -12.687 1.00 0.00 H new ATOM 0 HE2 LYS 2 29 9.342 3.552 -13.625 1.00 0.00 H new ATOM 0 HE3 LYS 2 29 7.761 4.289 -13.458 1.00 0.00 H new ATOM 0 HZ1 LYS 2 29 8.549 4.410 -15.728 1.00 0.00 H new ATOM 0 HZ2 LYS 2 29 8.405 5.972 -15.077 1.00 0.00 H new ATOM 0 HZ3 LYS 2 29 9.937 5.258 -15.239 1.00 0.00 H new ATOM 1307 N GLU 2 30 8.111 6.208 -6.959 1.00 0.00 N ATOM 1308 CA GLU 2 30 8.445 5.664 -5.655 1.00 0.00 C ATOM 1309 C GLU 2 30 7.177 5.475 -4.818 1.00 0.00 C ATOM 1310 O GLU 2 30 7.009 4.449 -4.161 1.00 0.00 O ATOM 1311 CB GLU 2 30 9.452 6.557 -4.929 1.00 0.00 C ATOM 1312 CG GLU 2 30 10.855 5.949 -4.970 1.00 0.00 C ATOM 1313 CD GLU 2 30 11.692 6.577 -6.086 1.00 0.00 C ATOM 1314 OE1 GLU 2 30 11.977 7.788 -5.968 1.00 0.00 O ATOM 1315 OE2 GLU 2 30 12.029 5.832 -7.032 1.00 0.00 O ATOM 0 H GLU 2 30 7.956 7.216 -6.973 1.00 0.00 H new ATOM 0 HA GLU 2 30 8.911 4.689 -5.799 1.00 0.00 H new ATOM 0 HB2 GLU 2 30 9.466 7.544 -5.390 1.00 0.00 H new ATOM 0 HB3 GLU 2 30 9.141 6.694 -3.893 1.00 0.00 H new ATOM 0 HG2 GLU 2 30 11.349 6.101 -4.010 1.00 0.00 H new ATOM 0 HG3 GLU 2 30 10.784 4.872 -5.125 1.00 0.00 H new ATOM 1322 N CYS 2 31 6.316 6.481 -4.871 1.00 0.00 N ATOM 1323 CA CYS 2 31 5.069 6.439 -4.127 1.00 0.00 C ATOM 1324 C CYS 2 31 4.298 5.188 -4.554 1.00 0.00 C ATOM 1325 O CYS 2 31 3.937 4.361 -3.717 1.00 0.00 O ATOM 1326 CB CYS 2 31 4.246 7.713 -4.328 1.00 0.00 C ATOM 1327 SG CYS 2 31 5.005 9.232 -3.643 1.00 0.00 S ATOM 0 H CYS 2 31 6.458 7.330 -5.418 1.00 0.00 H new ATOM 0 HA CYS 2 31 5.281 6.388 -3.059 1.00 0.00 H new ATOM 0 HB2 CYS 2 31 4.079 7.856 -5.396 1.00 0.00 H new ATOM 0 HB3 CYS 2 31 3.268 7.573 -3.868 1.00 0.00 H new ATOM 1332 N ASN 2 32 4.066 5.089 -5.854 1.00 0.00 N ATOM 1333 CA ASN 2 32 3.344 3.954 -6.402 1.00 0.00 C ATOM 1334 C ASN 2 32 4.129 2.671 -6.120 1.00 0.00 C ATOM 1335 O ASN 2 32 3.620 1.570 -6.325 1.00 0.00 O ATOM 1336 CB ASN 2 32 3.180 4.084 -7.917 1.00 0.00 C ATOM 1337 CG ASN 2 32 1.895 4.837 -8.267 1.00 0.00 C ATOM 1338 OD1 ASN 2 32 1.741 5.980 -7.604 1.00 0.00 O flip ATOM 1339 ND2 ASN 2 32 1.097 4.409 -9.085 1.00 0.00 N flip ATOM 0 H ASN 2 32 4.366 5.777 -6.545 1.00 0.00 H new ATOM 0 HA ASN 2 32 2.360 3.923 -5.934 1.00 0.00 H new ATOM 0 HB2 ASN 2 32 4.039 4.609 -8.336 1.00 0.00 H new ATOM 0 HB3 ASN 2 32 3.160 3.093 -8.371 1.00 0.00 H new ATOM 0 HD21 ASN 2 32 1.277 3.524 -9.558 1.00 0.00 H new ATOM 0 HD22 ASN 2 32 0.250 4.937 -9.296 1.00 0.00 H new ATOM 1346 N ASN 2 33 5.356 2.857 -5.655 1.00 0.00 N ATOM 1347 CA ASN 2 33 6.217 1.728 -5.342 1.00 0.00 C ATOM 1348 C ASN 2 33 6.100 1.401 -3.852 1.00 0.00 C ATOM 1349 O ASN 2 33 6.223 0.242 -3.457 1.00 0.00 O ATOM 1350 CB ASN 2 33 7.681 2.053 -5.643 1.00 0.00 C ATOM 1351 CG ASN 2 33 8.490 0.775 -5.871 1.00 0.00 C ATOM 1352 OD1 ASN 2 33 7.967 -0.327 -5.891 1.00 0.00 O ATOM 1353 ND2 ASN 2 33 9.793 0.982 -6.042 1.00 0.00 N ATOM 0 H ASN 2 33 5.774 3.772 -5.487 1.00 0.00 H new ATOM 0 HA ASN 2 33 5.903 0.883 -5.954 1.00 0.00 H new ATOM 0 HB2 ASN 2 33 7.742 2.689 -6.526 1.00 0.00 H new ATOM 0 HB3 ASN 2 33 8.110 2.616 -4.814 1.00 0.00 H new ATOM 0 HD21 ASN 2 33 10.418 0.192 -6.201 1.00 0.00 H new ATOM 0 HD22 ASN 2 33 10.167 1.931 -6.014 1.00 0.00 H new ATOM 1360 N ARG 2 34 5.864 2.441 -3.067 1.00 0.00 N ATOM 1361 CA ARG 2 34 5.729 2.278 -1.629 1.00 0.00 C ATOM 1362 C ARG 2 34 4.289 1.904 -1.270 1.00 0.00 C ATOM 1363 O ARG 2 34 4.050 1.246 -0.259 1.00 0.00 O ATOM 1364 CB ARG 2 34 6.115 3.562 -0.892 1.00 0.00 C ATOM 1365 CG ARG 2 34 7.320 4.234 -1.554 1.00 0.00 C ATOM 1366 CD ARG 2 34 8.388 4.589 -0.517 1.00 0.00 C ATOM 1367 NE ARG 2 34 9.622 3.815 -0.777 1.00 0.00 N ATOM 1368 CZ ARG 2 34 10.596 3.630 0.125 1.00 0.00 C ATOM 1369 NH1 ARG 2 34 10.485 4.162 1.349 1.00 0.00 N ATOM 1370 NH2 ARG 2 34 11.681 2.913 -0.198 1.00 0.00 N ATOM 0 H ARG 2 34 5.763 3.400 -3.399 1.00 0.00 H new ATOM 0 HA ARG 2 34 6.403 1.479 -1.320 1.00 0.00 H new ATOM 0 HB2 ARG 2 34 5.269 4.250 -0.885 1.00 0.00 H new ATOM 0 HB3 ARG 2 34 6.348 3.333 0.148 1.00 0.00 H new ATOM 0 HG2 ARG 2 34 7.745 3.568 -2.305 1.00 0.00 H new ATOM 0 HG3 ARG 2 34 6.998 5.137 -2.073 1.00 0.00 H new ATOM 0 HD2 ARG 2 34 8.604 5.657 -0.556 1.00 0.00 H new ATOM 0 HD3 ARG 2 34 8.019 4.374 0.486 1.00 0.00 H new ATOM 0 HE ARG 2 34 9.739 3.396 -1.700 1.00 0.00 H new ATOM 0 HH11 ARG 2 34 9.659 4.708 1.595 1.00 0.00 H new ATOM 0 HH12 ARG 2 34 11.226 4.021 2.035 1.00 0.00 H new ATOM 0 HH21 ARG 2 34 11.766 2.508 -1.130 1.00 0.00 H new ATOM 0 HH22 ARG 2 34 12.422 2.772 0.488 1.00 0.00 H new ATOM 1384 N GLY 2 35 3.370 2.341 -2.117 1.00 0.00 N ATOM 1385 CA GLY 2 35 1.961 2.061 -1.901 1.00 0.00 C ATOM 1386 C GLY 2 35 1.153 3.356 -1.798 1.00 0.00 C ATOM 1387 O GLY 2 35 0.101 3.387 -1.161 1.00 0.00 O ATOM 0 H GLY 2 35 3.573 2.887 -2.954 1.00 0.00 H new ATOM 0 HA2 GLY 2 35 1.578 1.453 -2.721 1.00 0.00 H new ATOM 0 HA3 GLY 2 35 1.838 1.478 -0.988 1.00 0.00 H new ATOM 1391 N CYS 2 36 1.676 4.394 -2.434 1.00 0.00 N ATOM 1392 CA CYS 2 36 1.017 5.689 -2.421 1.00 0.00 C ATOM 1393 C CYS 2 36 0.766 6.115 -3.870 1.00 0.00 C ATOM 1394 O CYS 2 36 1.351 5.553 -4.795 1.00 0.00 O ATOM 1395 CB CYS 2 36 1.832 6.731 -1.654 1.00 0.00 C ATOM 1396 SG CYS 2 36 2.037 6.382 0.131 1.00 0.00 S ATOM 0 H CYS 2 36 2.548 4.365 -2.962 1.00 0.00 H new ATOM 0 HA CYS 2 36 0.065 5.610 -1.896 1.00 0.00 H new ATOM 0 HB2 CYS 2 36 2.819 6.808 -2.111 1.00 0.00 H new ATOM 0 HB3 CYS 2 36 1.352 7.703 -1.767 1.00 0.00 H new ATOM 1401 N CYS 2 37 -0.104 7.102 -4.021 1.00 0.00 N ATOM 1402 CA CYS 2 37 -0.439 7.608 -5.340 1.00 0.00 C ATOM 1403 C CYS 2 37 0.122 9.026 -5.467 1.00 0.00 C ATOM 1404 O CYS 2 37 -0.203 9.900 -4.666 1.00 0.00 O ATOM 1405 CB CYS 2 37 -1.947 7.567 -5.596 1.00 0.00 C ATOM 1406 SG CYS 2 37 -2.426 7.014 -7.273 1.00 0.00 S ATOM 0 H CYS 2 37 -0.587 7.565 -3.251 1.00 0.00 H new ATOM 0 HA CYS 2 37 0.010 6.970 -6.101 1.00 0.00 H new ATOM 0 HB2 CYS 2 37 -2.408 6.903 -4.864 1.00 0.00 H new ATOM 0 HB3 CYS 2 37 -2.357 8.562 -5.426 1.00 0.00 H new ATOM 0 HG CYS 2 37 -3.568 6.396 -7.216 1.00 0.00 H new ATOM 1411 N PHE 2 38 0.956 9.210 -6.481 1.00 0.00 N ATOM 1412 CA PHE 2 38 1.566 10.507 -6.723 1.00 0.00 C ATOM 1413 C PHE 2 38 0.645 11.398 -7.558 1.00 0.00 C ATOM 1414 O PHE 2 38 0.247 11.026 -8.661 1.00 0.00 O ATOM 1415 CB PHE 2 38 2.857 10.254 -7.505 1.00 0.00 C ATOM 1416 CG PHE 2 38 3.814 11.447 -7.526 1.00 0.00 C ATOM 1417 CD1 PHE 2 38 4.698 11.628 -6.509 1.00 0.00 C ATOM 1418 CD2 PHE 2 38 3.781 12.327 -8.562 1.00 0.00 C ATOM 1419 CE1 PHE 2 38 5.587 12.736 -6.529 1.00 0.00 C ATOM 1420 CE2 PHE 2 38 4.669 13.434 -8.582 1.00 0.00 C ATOM 1421 CZ PHE 2 38 5.554 13.616 -7.566 1.00 0.00 C ATOM 0 H PHE 2 38 1.223 8.483 -7.144 1.00 0.00 H new ATOM 0 HA PHE 2 38 1.756 11.012 -5.776 1.00 0.00 H new ATOM 0 HB2 PHE 2 38 3.371 9.396 -7.071 1.00 0.00 H new ATOM 0 HB3 PHE 2 38 2.602 9.987 -8.531 1.00 0.00 H new ATOM 0 HD1 PHE 2 38 4.724 10.929 -5.686 1.00 0.00 H new ATOM 0 HD2 PHE 2 38 3.079 12.184 -9.370 1.00 0.00 H new ATOM 0 HE1 PHE 2 38 6.289 12.880 -5.721 1.00 0.00 H new ATOM 0 HE2 PHE 2 38 4.642 14.133 -9.405 1.00 0.00 H new ATOM 0 HZ PHE 2 38 6.230 14.458 -7.582 1.00 0.00 H new ATOM 1431 N ASP 2 39 0.333 12.558 -7.000 1.00 0.00 N ATOM 1432 CA ASP 2 39 -0.534 13.506 -7.679 1.00 0.00 C ATOM 1433 C ASP 2 39 0.296 14.342 -8.654 1.00 0.00 C ATOM 1434 O ASP 2 39 0.339 14.050 -9.848 1.00 0.00 O ATOM 1435 CB ASP 2 39 -1.195 14.460 -6.682 1.00 0.00 C ATOM 1436 CG ASP 2 39 -1.378 15.894 -7.183 1.00 0.00 C ATOM 1437 OD1 ASP 2 39 -2.282 16.090 -8.024 1.00 0.00 O ATOM 1438 OD2 ASP 2 39 -0.611 16.761 -6.714 1.00 0.00 O ATOM 0 H ASP 2 39 0.665 12.863 -6.085 1.00 0.00 H new ATOM 0 HA ASP 2 39 -1.305 12.942 -8.204 1.00 0.00 H new ATOM 0 HB2 ASP 2 39 -2.171 14.059 -6.411 1.00 0.00 H new ATOM 0 HB3 ASP 2 39 -0.596 14.483 -5.772 1.00 0.00 H new ATOM 1443 N SER 2 40 0.937 15.367 -8.109 1.00 0.00 N ATOM 1444 CA SER 2 40 1.764 16.248 -8.915 1.00 0.00 C ATOM 1445 C SER 2 40 0.901 17.343 -9.547 1.00 0.00 C ATOM 1446 O SER 2 40 1.405 18.405 -9.906 1.00 0.00 O ATOM 1447 CB SER 2 40 2.507 15.466 -10.000 1.00 0.00 C ATOM 1448 OG SER 2 40 3.808 15.993 -10.242 1.00 0.00 O ATOM 0 H SER 2 40 0.900 15.606 -7.118 1.00 0.00 H new ATOM 0 HA SER 2 40 2.507 16.710 -8.264 1.00 0.00 H new ATOM 0 HB2 SER 2 40 2.589 14.421 -9.702 1.00 0.00 H new ATOM 0 HB3 SER 2 40 1.929 15.489 -10.924 1.00 0.00 H new ATOM 0 HG SER 2 40 4.280 15.419 -10.881 1.00 0.00 H new ATOM 1454 N ARG 2 41 -0.385 17.044 -9.664 1.00 0.00 N ATOM 1455 CA ARG 2 41 -1.322 17.989 -10.246 1.00 0.00 C ATOM 1456 C ARG 2 41 -1.420 19.244 -9.377 1.00 0.00 C ATOM 1457 O ARG 2 41 -1.413 20.362 -9.890 1.00 0.00 O ATOM 1458 CB ARG 2 41 -2.713 17.368 -10.392 1.00 0.00 C ATOM 1459 CG ARG 2 41 -2.615 15.899 -10.808 1.00 0.00 C ATOM 1460 CD ARG 2 41 -3.576 15.590 -11.958 1.00 0.00 C ATOM 1461 NE ARG 2 41 -3.408 16.586 -13.039 1.00 0.00 N ATOM 1462 CZ ARG 2 41 -4.336 16.847 -13.971 1.00 0.00 C ATOM 1463 NH1 ARG 2 41 -5.502 16.188 -13.958 1.00 0.00 N ATOM 1464 NH2 ARG 2 41 -4.096 17.767 -14.914 1.00 0.00 N ATOM 0 H ARG 2 41 -0.799 16.161 -9.366 1.00 0.00 H new ATOM 0 HA ARG 2 41 -0.951 18.256 -11.235 1.00 0.00 H new ATOM 0 HB2 ARG 2 41 -3.252 17.447 -9.448 1.00 0.00 H new ATOM 0 HB3 ARG 2 41 -3.287 17.923 -11.134 1.00 0.00 H new ATOM 0 HG2 ARG 2 41 -1.593 15.671 -11.112 1.00 0.00 H new ATOM 0 HG3 ARG 2 41 -2.845 15.260 -9.956 1.00 0.00 H new ATOM 0 HD2 ARG 2 41 -3.386 14.588 -12.343 1.00 0.00 H new ATOM 0 HD3 ARG 2 41 -4.604 15.603 -11.597 1.00 0.00 H new ATOM 0 HE ARG 2 41 -2.532 17.107 -13.078 1.00 0.00 H new ATOM 0 HH11 ARG 2 41 -5.684 15.488 -13.239 1.00 0.00 H new ATOM 0 HH12 ARG 2 41 -6.208 16.387 -14.667 1.00 0.00 H new ATOM 0 HH21 ARG 2 41 -3.208 18.269 -14.923 1.00 0.00 H new ATOM 0 HH22 ARG 2 41 -4.801 17.966 -15.623 1.00 0.00 H new ATOM 1478 N ILE 2 42 -1.510 19.017 -8.075 1.00 0.00 N ATOM 1479 CA ILE 2 42 -1.609 20.115 -7.128 1.00 0.00 C ATOM 1480 C ILE 2 42 -0.391 20.097 -6.203 1.00 0.00 C ATOM 1481 O ILE 2 42 -0.263 19.214 -5.356 1.00 0.00 O ATOM 1482 CB ILE 2 42 -2.946 20.063 -6.385 1.00 0.00 C ATOM 1483 CG1 ILE 2 42 -4.029 19.418 -7.251 1.00 0.00 C ATOM 1484 CG2 ILE 2 42 -3.356 21.453 -5.896 1.00 0.00 C ATOM 1485 CD1 ILE 2 42 -5.426 19.787 -6.749 1.00 0.00 C ATOM 0 H ILE 2 42 -1.516 18.088 -7.653 1.00 0.00 H new ATOM 0 HA ILE 2 42 -1.598 21.071 -7.651 1.00 0.00 H new ATOM 0 HB ILE 2 42 -2.822 19.435 -5.503 1.00 0.00 H new ATOM 0 HG12 ILE 2 42 -3.913 19.742 -8.285 1.00 0.00 H new ATOM 0 HG13 ILE 2 42 -3.910 18.335 -7.241 1.00 0.00 H new ATOM 0 HG21 ILE 2 42 -4.309 21.388 -5.372 1.00 0.00 H new ATOM 0 HG22 ILE 2 42 -2.595 21.840 -5.218 1.00 0.00 H new ATOM 0 HG23 ILE 2 42 -3.457 22.124 -6.749 1.00 0.00 H new ATOM 0 HD11 ILE 2 42 -6.177 19.315 -7.383 1.00 0.00 H new ATOM 0 HD12 ILE 2 42 -5.547 19.440 -5.723 1.00 0.00 H new ATOM 0 HD13 ILE 2 42 -5.551 20.869 -6.783 1.00 0.00 H new ATOM 1497 N PRO 2 43 0.496 21.108 -6.401 1.00 0.00 N ATOM 1498 CA PRO 2 43 1.701 21.217 -5.596 1.00 0.00 C ATOM 1499 C PRO 2 43 1.375 21.732 -4.191 1.00 0.00 C ATOM 1500 O PRO 2 43 2.252 21.791 -3.330 1.00 0.00 O ATOM 1501 CB PRO 2 43 2.612 22.150 -6.374 1.00 0.00 C ATOM 1502 CG PRO 2 43 1.714 22.894 -7.348 1.00 0.00 C ATOM 1503 CD PRO 2 43 0.378 22.170 -7.396 1.00 0.00 C ATOM 0 HA PRO 2 43 2.187 20.255 -5.432 1.00 0.00 H new ATOM 0 HB2 PRO 2 43 3.123 22.844 -5.706 1.00 0.00 H new ATOM 0 HB3 PRO 2 43 3.383 21.591 -6.903 1.00 0.00 H new ATOM 0 HG2 PRO 2 43 1.577 23.927 -7.028 1.00 0.00 H new ATOM 0 HG3 PRO 2 43 2.168 22.924 -8.339 1.00 0.00 H new ATOM 0 HD2 PRO 2 43 -0.446 22.843 -7.161 1.00 0.00 H new ATOM 0 HD3 PRO 2 43 0.184 21.763 -8.388 1.00 0.00 H new ATOM 1511 N GLY 2 44 0.114 22.092 -4.005 1.00 0.00 N ATOM 1512 CA GLY 2 44 -0.338 22.599 -2.721 1.00 0.00 C ATOM 1513 C GLY 2 44 -0.928 21.478 -1.865 1.00 0.00 C ATOM 1514 O GLY 2 44 -1.298 21.700 -0.713 1.00 0.00 O ATOM 0 H GLY 2 44 -0.609 22.043 -4.723 1.00 0.00 H new ATOM 0 HA2 GLY 2 44 0.497 23.062 -2.195 1.00 0.00 H new ATOM 0 HA3 GLY 2 44 -1.087 23.375 -2.876 1.00 0.00 H new ATOM 1518 N VAL 2 45 -0.998 20.296 -2.460 1.00 0.00 N ATOM 1519 CA VAL 2 45 -1.538 19.140 -1.767 1.00 0.00 C ATOM 1520 C VAL 2 45 -0.475 18.040 -1.714 1.00 0.00 C ATOM 1521 O VAL 2 45 0.649 18.235 -2.177 1.00 0.00 O ATOM 1522 CB VAL 2 45 -2.836 18.685 -2.437 1.00 0.00 C ATOM 1523 CG1 VAL 2 45 -3.591 19.875 -3.032 1.00 0.00 C ATOM 1524 CG2 VAL 2 45 -2.559 17.623 -3.504 1.00 0.00 C ATOM 0 H VAL 2 45 -0.689 20.115 -3.415 1.00 0.00 H new ATOM 0 HA VAL 2 45 -1.793 19.397 -0.739 1.00 0.00 H new ATOM 0 HB VAL 2 45 -3.468 18.235 -1.672 1.00 0.00 H new ATOM 0 HG11 VAL 2 45 -4.510 19.525 -3.502 1.00 0.00 H new ATOM 0 HG12 VAL 2 45 -3.836 20.583 -2.240 1.00 0.00 H new ATOM 0 HG13 VAL 2 45 -2.966 20.366 -3.778 1.00 0.00 H new ATOM 0 HG21 VAL 2 45 -3.498 17.317 -3.965 1.00 0.00 H new ATOM 0 HG22 VAL 2 45 -1.899 18.037 -4.266 1.00 0.00 H new ATOM 0 HG23 VAL 2 45 -2.083 16.758 -3.042 1.00 0.00 H new ATOM 1534 N PRO 2 46 -0.877 16.879 -1.132 1.00 0.00 N ATOM 1535 CA PRO 2 46 0.028 15.748 -1.013 1.00 0.00 C ATOM 1536 C PRO 2 46 0.211 15.049 -2.362 1.00 0.00 C ATOM 1537 O PRO 2 46 -0.744 14.517 -2.924 1.00 0.00 O ATOM 1538 CB PRO 2 46 -0.600 14.851 0.041 1.00 0.00 C ATOM 1539 CG PRO 2 46 -2.056 15.275 0.136 1.00 0.00 C ATOM 1540 CD PRO 2 46 -2.199 16.612 -0.574 1.00 0.00 C ATOM 0 HA PRO 2 46 1.035 16.043 -0.717 1.00 0.00 H new ATOM 0 HB2 PRO 2 46 -0.517 13.801 -0.240 1.00 0.00 H new ATOM 0 HB3 PRO 2 46 -0.097 14.965 1.001 1.00 0.00 H new ATOM 0 HG2 PRO 2 46 -2.702 14.527 -0.324 1.00 0.00 H new ATOM 0 HG3 PRO 2 46 -2.361 15.362 1.179 1.00 0.00 H new ATOM 0 HD2 PRO 2 46 -2.957 16.566 -1.356 1.00 0.00 H new ATOM 0 HD3 PRO 2 46 -2.503 17.397 0.118 1.00 0.00 H new ATOM 1548 N TRP 2 47 1.447 15.072 -2.841 1.00 0.00 N ATOM 1549 CA TRP 2 47 1.768 14.447 -4.113 1.00 0.00 C ATOM 1550 C TRP 2 47 2.158 12.993 -3.840 1.00 0.00 C ATOM 1551 O TRP 2 47 2.931 12.403 -4.592 1.00 0.00 O ATOM 1552 CB TRP 2 47 2.857 15.230 -4.849 1.00 0.00 C ATOM 1553 CG TRP 2 47 3.117 16.623 -4.275 1.00 0.00 C ATOM 1554 CD1 TRP 2 47 2.374 17.729 -4.420 1.00 0.00 C ATOM 1555 CD2 TRP 2 47 4.235 17.018 -3.451 1.00 0.00 C ATOM 1556 NE1 TRP 2 47 2.928 18.803 -3.754 1.00 0.00 N ATOM 1557 CE2 TRP 2 47 4.096 18.357 -3.146 1.00 0.00 C ATOM 1558 CE3 TRP 2 47 5.328 16.269 -2.978 1.00 0.00 C ATOM 1559 CZ2 TRP 2 47 5.012 19.064 -2.357 1.00 0.00 C ATOM 1560 CZ3 TRP 2 47 6.234 16.989 -2.192 1.00 0.00 C ATOM 1561 CH2 TRP 2 47 6.109 18.337 -1.876 1.00 0.00 C ATOM 0 H TRP 2 47 2.237 15.513 -2.371 1.00 0.00 H new ATOM 0 HA TRP 2 47 0.904 14.457 -4.777 1.00 0.00 H new ATOM 0 HB2 TRP 2 47 3.784 14.658 -4.820 1.00 0.00 H new ATOM 0 HB3 TRP 2 47 2.575 15.327 -5.897 1.00 0.00 H new ATOM 0 HD1 TRP 2 47 1.456 17.774 -4.987 1.00 0.00 H new ATOM 0 HE1 TRP 2 47 2.550 19.750 -3.715 1.00 0.00 H new ATOM 0 HE3 TRP 2 47 5.457 15.221 -3.204 1.00 0.00 H new ATOM 0 HZ2 TRP 2 47 4.880 20.112 -2.132 1.00 0.00 H new ATOM 0 HZ3 TRP 2 47 7.091 16.460 -1.803 1.00 0.00 H new ATOM 0 HH2 TRP 2 47 6.854 18.822 -1.263 1.00 0.00 H new ATOM 1572 N CYS 2 48 1.605 12.458 -2.761 1.00 0.00 N ATOM 1573 CA CYS 2 48 1.886 11.084 -2.379 1.00 0.00 C ATOM 1574 C CYS 2 48 0.941 10.700 -1.239 1.00 0.00 C ATOM 1575 O CYS 2 48 1.169 11.068 -0.088 1.00 0.00 O ATOM 1576 CB CYS 2 48 3.354 10.894 -1.993 1.00 0.00 C ATOM 1577 SG CYS 2 48 3.897 9.149 -1.881 1.00 0.00 S ATOM 0 H CYS 2 48 0.964 12.951 -2.139 1.00 0.00 H new ATOM 0 HA CYS 2 48 1.714 10.424 -3.229 1.00 0.00 H new ATOM 0 HB2 CYS 2 48 3.977 11.408 -2.725 1.00 0.00 H new ATOM 0 HB3 CYS 2 48 3.528 11.377 -1.031 1.00 0.00 H new ATOM 1582 N PHE 2 49 -0.101 9.966 -1.599 1.00 0.00 N ATOM 1583 CA PHE 2 49 -1.082 9.527 -0.621 1.00 0.00 C ATOM 1584 C PHE 2 49 -1.467 8.063 -0.848 1.00 0.00 C ATOM 1585 O PHE 2 49 -0.806 7.354 -1.605 1.00 0.00 O ATOM 1586 CB PHE 2 49 -2.322 10.403 -0.807 1.00 0.00 C ATOM 1587 CG PHE 2 49 -2.486 10.955 -2.225 1.00 0.00 C ATOM 1588 CD1 PHE 2 49 -1.550 11.795 -2.740 1.00 0.00 C ATOM 1589 CD2 PHE 2 49 -3.570 10.605 -2.969 1.00 0.00 C ATOM 1590 CE1 PHE 2 49 -1.702 12.308 -4.055 1.00 0.00 C ATOM 1591 CE2 PHE 2 49 -3.722 11.118 -4.284 1.00 0.00 C ATOM 1592 CZ PHE 2 49 -2.786 11.958 -4.800 1.00 0.00 C ATOM 0 H PHE 2 49 -0.288 9.664 -2.555 1.00 0.00 H new ATOM 0 HA PHE 2 49 -0.669 9.614 0.384 1.00 0.00 H new ATOM 0 HB2 PHE 2 49 -3.207 9.821 -0.550 1.00 0.00 H new ATOM 0 HB3 PHE 2 49 -2.274 11.237 -0.107 1.00 0.00 H new ATOM 0 HD1 PHE 2 49 -0.690 12.072 -2.149 1.00 0.00 H new ATOM 0 HD2 PHE 2 49 -4.314 9.938 -2.560 1.00 0.00 H new ATOM 0 HE1 PHE 2 49 -0.958 12.976 -4.464 1.00 0.00 H new ATOM 0 HE2 PHE 2 49 -4.582 10.841 -4.875 1.00 0.00 H new ATOM 0 HZ PHE 2 49 -2.902 12.347 -5.801 1.00 0.00 H new ATOM 1602 N LYS 2 50 -2.534 7.655 -0.177 1.00 0.00 N ATOM 1603 CA LYS 2 50 -3.014 6.289 -0.295 1.00 0.00 C ATOM 1604 C LYS 2 50 -4.480 6.305 -0.731 1.00 0.00 C ATOM 1605 O LYS 2 50 -5.363 5.912 0.031 1.00 0.00 O ATOM 1606 CB LYS 2 50 -2.767 5.518 1.003 1.00 0.00 C ATOM 1607 CG LYS 2 50 -2.386 6.470 2.140 1.00 0.00 C ATOM 1608 CD LYS 2 50 -0.885 6.765 2.128 1.00 0.00 C ATOM 1609 CE LYS 2 50 -0.071 5.471 2.047 1.00 0.00 C ATOM 1610 NZ LYS 2 50 -0.666 4.431 2.917 1.00 0.00 N ATOM 0 H LYS 2 50 -3.079 8.246 0.450 1.00 0.00 H new ATOM 0 HA LYS 2 50 -2.457 5.755 -1.065 1.00 0.00 H new ATOM 0 HB2 LYS 2 50 -3.663 4.960 1.275 1.00 0.00 H new ATOM 0 HB3 LYS 2 50 -1.971 4.789 0.852 1.00 0.00 H new ATOM 0 HG2 LYS 2 50 -2.944 7.401 2.042 1.00 0.00 H new ATOM 0 HG3 LYS 2 50 -2.666 6.030 3.097 1.00 0.00 H new ATOM 0 HD2 LYS 2 50 -0.643 7.404 1.279 1.00 0.00 H new ATOM 0 HD3 LYS 2 50 -0.612 7.315 3.029 1.00 0.00 H new ATOM 0 HE2 LYS 2 50 -0.040 5.118 1.016 1.00 0.00 H new ATOM 0 HE3 LYS 2 50 0.959 5.662 2.350 1.00 0.00 H new ATOM 0 HZ1 LYS 2 50 0.071 3.756 3.206 1.00 0.00 H new ATOM 0 HZ2 LYS 2 50 -1.076 4.878 3.762 1.00 0.00 H new ATOM 0 HZ3 LYS 2 50 -1.411 3.927 2.396 1.00 0.00 H new ATOM 1624 N PRO 2 51 -4.702 6.774 -1.988 1.00 0.00 N ATOM 1625 CA PRO 2 51 -6.046 6.846 -2.534 1.00 0.00 C ATOM 1626 C PRO 2 51 -6.554 5.458 -2.927 1.00 0.00 C ATOM 1627 O PRO 2 51 -7.063 4.718 -2.086 1.00 0.00 O ATOM 1628 CB PRO 2 51 -5.940 7.796 -3.717 1.00 0.00 C ATOM 1629 CG PRO 2 51 -4.464 7.855 -4.072 1.00 0.00 C ATOM 1630 CD PRO 2 51 -3.681 7.247 -2.919 1.00 0.00 C ATOM 0 HA PRO 2 51 -6.774 7.211 -1.810 1.00 0.00 H new ATOM 0 HB2 PRO 2 51 -6.531 7.437 -4.560 1.00 0.00 H new ATOM 0 HB3 PRO 2 51 -6.320 8.785 -3.459 1.00 0.00 H new ATOM 0 HG2 PRO 2 51 -4.271 7.307 -4.995 1.00 0.00 H new ATOM 0 HG3 PRO 2 51 -4.154 8.886 -4.242 1.00 0.00 H new ATOM 0 HD2 PRO 2 51 -3.046 6.429 -3.259 1.00 0.00 H new ATOM 0 HD3 PRO 2 51 -3.029 7.984 -2.451 1.00 0.00 H new ATOM 1638 N LEU 2 52 -6.399 5.145 -4.204 1.00 0.00 N ATOM 1639 CA LEU 2 52 -6.835 3.858 -4.719 1.00 0.00 C ATOM 1640 C LEU 2 52 -5.647 2.894 -4.745 1.00 0.00 C ATOM 1641 O LEU 2 52 -5.463 2.155 -5.712 1.00 0.00 O ATOM 1642 CB LEU 2 52 -7.519 4.027 -6.077 1.00 0.00 C ATOM 1643 CG LEU 2 52 -6.644 3.774 -7.306 1.00 0.00 C ATOM 1644 CD1 LEU 2 52 -6.833 2.349 -7.830 1.00 0.00 C ATOM 1645 CD2 LEU 2 52 -6.903 4.823 -8.390 1.00 0.00 C ATOM 0 H LEU 2 52 -5.977 5.761 -4.899 1.00 0.00 H new ATOM 0 HA LEU 2 52 -7.587 3.421 -4.062 1.00 0.00 H new ATOM 0 HB2 LEU 2 52 -8.373 3.350 -6.118 1.00 0.00 H new ATOM 0 HB3 LEU 2 52 -7.913 5.041 -6.139 1.00 0.00 H new ATOM 0 HG LEU 2 52 -5.600 3.871 -7.007 1.00 0.00 H new ATOM 0 HD11 LEU 2 52 -6.200 2.196 -8.704 1.00 0.00 H new ATOM 0 HD12 LEU 2 52 -6.558 1.636 -7.053 1.00 0.00 H new ATOM 0 HD13 LEU 2 52 -7.876 2.199 -8.107 1.00 0.00 H new ATOM 0 HD21 LEU 2 52 -6.268 4.620 -9.252 1.00 0.00 H new ATOM 0 HD22 LEU 2 52 -7.949 4.783 -8.692 1.00 0.00 H new ATOM 0 HD23 LEU 2 52 -6.676 5.815 -7.998 1.00 0.00 H new ATOM 1657 N GLN 2 53 -4.871 2.934 -3.672 1.00 0.00 N ATOM 1658 CA GLN 2 53 -3.705 2.074 -3.560 1.00 0.00 C ATOM 1659 C GLN 2 53 -4.113 0.606 -3.699 1.00 0.00 C ATOM 1660 O GLN 2 53 -3.270 -0.257 -3.943 1.00 0.00 O ATOM 1661 CB GLN 2 53 -2.969 2.316 -2.241 1.00 0.00 C ATOM 1662 CG GLN 2 53 -2.456 3.755 -2.155 1.00 0.00 C ATOM 1663 CD GLN 2 53 -1.531 4.078 -3.331 1.00 0.00 C ATOM 1664 OE1 GLN 2 53 -1.586 5.143 -3.921 1.00 0.00 O ATOM 1665 NE2 GLN 2 53 -0.682 3.101 -3.635 1.00 0.00 N ATOM 0 H GLN 2 53 -5.027 3.548 -2.873 1.00 0.00 H new ATOM 0 HA GLN 2 53 -3.019 2.319 -4.371 1.00 0.00 H new ATOM 0 HB2 GLN 2 53 -3.638 2.114 -1.405 1.00 0.00 H new ATOM 0 HB3 GLN 2 53 -2.133 1.622 -2.155 1.00 0.00 H new ATOM 0 HG2 GLN 2 53 -3.299 4.446 -2.150 1.00 0.00 H new ATOM 0 HG3 GLN 2 53 -1.921 3.899 -1.216 1.00 0.00 H new ATOM 0 HE21 GLN 2 53 -0.690 2.233 -3.099 1.00 0.00 H new ATOM 0 HE22 GLN 2 53 -0.023 3.219 -4.404 1.00 0.00 H new ATOM 1674 N GLU 2 54 -5.406 0.366 -3.536 1.00 0.00 N ATOM 1675 CA GLU 2 54 -5.937 -0.982 -3.640 1.00 0.00 C ATOM 1676 C GLU 2 54 -5.409 -1.664 -4.905 1.00 0.00 C ATOM 1677 O GLU 2 54 -5.430 -2.889 -5.008 1.00 0.00 O ATOM 1678 CB GLU 2 54 -7.466 -0.974 -3.619 1.00 0.00 C ATOM 1679 CG GLU 2 54 -8.029 -0.365 -4.904 1.00 0.00 C ATOM 1680 CD GLU 2 54 -8.916 -1.368 -5.644 1.00 0.00 C ATOM 1681 OE1 GLU 2 54 -9.896 -1.828 -5.019 1.00 0.00 O ATOM 1682 OE2 GLU 2 54 -8.594 -1.652 -6.817 1.00 0.00 O ATOM 0 H GLU 2 54 -6.102 1.083 -3.332 1.00 0.00 H new ATOM 0 HA GLU 2 54 -5.599 -1.552 -2.775 1.00 0.00 H new ATOM 0 HB2 GLU 2 54 -7.837 -1.992 -3.502 1.00 0.00 H new ATOM 0 HB3 GLU 2 54 -7.818 -0.406 -2.758 1.00 0.00 H new ATOM 0 HG2 GLU 2 54 -8.606 0.528 -4.665 1.00 0.00 H new ATOM 0 HG3 GLU 2 54 -7.210 -0.052 -5.551 1.00 0.00 H new ATOM 1689 N ALA 2 55 -4.951 -0.840 -5.835 1.00 0.00 N ATOM 1690 CA ALA 2 55 -4.420 -1.348 -7.088 1.00 0.00 C ATOM 1691 C ALA 2 55 -3.702 -2.674 -6.833 1.00 0.00 C ATOM 1692 O ALA 2 55 -4.214 -3.738 -7.176 1.00 0.00 O ATOM 1693 CB ALA 2 55 -3.501 -0.298 -7.717 1.00 0.00 C ATOM 0 H ALA 2 55 -4.937 0.176 -5.746 1.00 0.00 H new ATOM 0 HA ALA 2 55 -5.226 -1.541 -7.796 1.00 0.00 H new ATOM 0 HB1 ALA 2 55 -3.103 -0.679 -8.657 1.00 0.00 H new ATOM 0 HB2 ALA 2 55 -4.067 0.614 -7.906 1.00 0.00 H new ATOM 0 HB3 ALA 2 55 -2.678 -0.080 -7.036 1.00 0.00 H new ATOM 1699 N GLU 2 56 -2.526 -2.567 -6.232 1.00 0.00 N ATOM 1700 CA GLU 2 56 -1.731 -3.746 -5.926 1.00 0.00 C ATOM 1701 C GLU 2 56 -1.287 -3.721 -4.462 1.00 0.00 C ATOM 1702 O GLU 2 56 -0.445 -4.517 -4.052 1.00 0.00 O ATOM 1703 CB GLU 2 56 -0.528 -3.853 -6.863 1.00 0.00 C ATOM 1704 CG GLU 2 56 -0.583 -5.145 -7.681 1.00 0.00 C ATOM 1705 CD GLU 2 56 -1.085 -4.872 -9.102 1.00 0.00 C ATOM 1706 OE1 GLU 2 56 -2.323 -4.875 -9.277 1.00 0.00 O ATOM 1707 OE2 GLU 2 56 -0.219 -4.668 -9.980 1.00 0.00 O ATOM 0 H GLU 2 56 -2.104 -1.683 -5.949 1.00 0.00 H new ATOM 0 HA GLU 2 56 -2.350 -4.629 -6.082 1.00 0.00 H new ATOM 0 HB2 GLU 2 56 -0.508 -2.994 -7.534 1.00 0.00 H new ATOM 0 HB3 GLU 2 56 0.394 -3.825 -6.282 1.00 0.00 H new ATOM 0 HG2 GLU 2 56 0.408 -5.597 -7.722 1.00 0.00 H new ATOM 0 HG3 GLU 2 56 -1.240 -5.863 -7.191 1.00 0.00 H new ATOM 1714 N CYS 2 57 -1.874 -2.797 -3.714 1.00 0.00 N ATOM 1715 CA CYS 2 57 -1.548 -2.658 -2.305 1.00 0.00 C ATOM 1716 C CYS 2 57 -2.436 -3.617 -1.510 1.00 0.00 C ATOM 1717 O CYS 2 57 -1.936 -4.515 -0.833 1.00 0.00 O ATOM 1718 CB CYS 2 57 -1.702 -1.212 -1.829 1.00 0.00 C ATOM 1719 SG CYS 2 57 -0.535 -0.710 -0.512 1.00 0.00 S ATOM 0 H CYS 2 57 -2.573 -2.138 -4.057 1.00 0.00 H new ATOM 0 HA CYS 2 57 -0.501 -2.915 -2.144 1.00 0.00 H new ATOM 0 HB2 CYS 2 57 -1.572 -0.547 -2.683 1.00 0.00 H new ATOM 0 HB3 CYS 2 57 -2.720 -1.070 -1.467 1.00 0.00 H new ATOM 1724 N THR 2 58 -3.737 -3.396 -1.618 1.00 0.00 N ATOM 1725 CA THR 2 58 -4.699 -4.230 -0.918 1.00 0.00 C ATOM 1726 C THR 2 58 -4.399 -5.711 -1.162 1.00 0.00 C ATOM 1727 O THR 2 58 -4.529 -6.531 -0.255 1.00 0.00 O ATOM 1728 CB THR 2 58 -6.101 -3.813 -1.366 1.00 0.00 C ATOM 1729 OG1 THR 2 58 -6.969 -4.469 -0.446 1.00 0.00 O ATOM 1730 CG2 THR 2 58 -6.483 -4.405 -2.724 1.00 0.00 C ATOM 0 H THR 2 58 -4.148 -2.651 -2.180 1.00 0.00 H new ATOM 0 HA THR 2 58 -4.632 -4.090 0.161 1.00 0.00 H new ATOM 0 HB THR 2 58 -6.157 -2.726 -1.415 1.00 0.00 H new ATOM 0 HG1 THR 2 58 -7.900 -4.252 -0.663 1.00 0.00 H new ATOM 0 HG21 THR 2 58 -7.487 -4.078 -2.994 1.00 0.00 H new ATOM 0 HG22 THR 2 58 -5.775 -4.067 -3.481 1.00 0.00 H new ATOM 0 HG23 THR 2 58 -6.460 -5.493 -2.666 1.00 0.00 H new ATOM 1738 N PHE 2 59 -4.004 -6.006 -2.392 1.00 0.00 N ATOM 1739 CA PHE 2 59 -3.685 -7.374 -2.767 1.00 0.00 C ATOM 1740 C PHE 2 59 -2.426 -7.860 -2.045 1.00 0.00 C ATOM 1741 O PHE 2 59 -1.774 -8.802 -2.492 1.00 0.00 O ATOM 1742 CB PHE 2 59 -3.426 -7.376 -4.275 1.00 0.00 C ATOM 1743 CG PHE 2 59 -4.640 -7.780 -5.114 1.00 0.00 C ATOM 1744 CD1 PHE 2 59 -5.775 -7.032 -5.072 1.00 0.00 C ATOM 1745 CD2 PHE 2 59 -4.583 -8.887 -5.901 1.00 0.00 C ATOM 1746 CE1 PHE 2 59 -6.902 -7.407 -5.852 1.00 0.00 C ATOM 1747 CE2 PHE 2 59 -5.710 -9.262 -6.681 1.00 0.00 C ATOM 1748 CZ PHE 2 59 -6.845 -8.515 -6.638 1.00 0.00 C ATOM 0 H PHE 2 59 -3.898 -5.322 -3.141 1.00 0.00 H new ATOM 0 HA PHE 2 59 -4.507 -8.036 -2.495 1.00 0.00 H new ATOM 0 HB2 PHE 2 59 -3.102 -6.381 -4.579 1.00 0.00 H new ATOM 0 HB3 PHE 2 59 -2.604 -8.059 -4.491 1.00 0.00 H new ATOM 0 HD1 PHE 2 59 -5.820 -6.153 -4.446 1.00 0.00 H new ATOM 0 HD2 PHE 2 59 -3.682 -9.481 -5.933 1.00 0.00 H new ATOM 0 HE1 PHE 2 59 -7.803 -6.812 -5.821 1.00 0.00 H new ATOM 0 HE2 PHE 2 59 -5.665 -10.140 -7.308 1.00 0.00 H new ATOM 0 HZ PHE 2 59 -7.702 -8.802 -7.229 1.00 0.00 H new TER 1758 PHE 2 59