USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=21 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: 1 58 THR OG1 : rot -23:sc= 0.422 USER MOD Set 1.2: 2 53 GLN :FLIP amide:sc= -22.6! C(o=-24!,f=-22!) USER MOD Single : 1 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 3 TYR OH : rot 180:sc= 0 USER MOD Single : 1 7 SER OG : rot -49:sc= 0.413 USER MOD Single : 1 9 ASN : amide:sc= -0.107 X(o=-0.11,f=-0.0084) USER MOD Single : 1 10 GLN :FLIP amide:sc= -3.65 F(o=-6.7!,f=-3.6) USER MOD Single : 1 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 23 TYR OH : rot 30:sc= -1.37! USER MOD Single : 1 25 HIS : no HD1:sc= -0.14 X(o=-0.14,f=-0.32) USER MOD Single : 1 27 THR OG1 : rot 62:sc= 0.0314 USER MOD Single : 1 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 32 ASN :FLIP amide:sc= -0.412 F(o=-2.7,f=-0.41) USER MOD Single : 1 33 ASN : amide:sc= -0.038 X(o=-0.038,f=-0.038) USER MOD Single : 1 40 SER OG : rot 89:sc= 0.238 USER MOD Single : 1 50 LYS NZ :NH3+ -150:sc= -2.26 (180deg=-6.43!) USER MOD Single : 1 53 GLN : amide:sc= -11.9! C(o=-12!,f=-17!) USER MOD Single : 2 1 GLU N :NH3+ -168:sc= 0 (180deg=-0.0166) USER MOD Single : 2 3 TYR OH : rot 180:sc= 0 USER MOD Single : 2 7 SER OG : rot 157:sc= -0.062 USER MOD Single : 2 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 2 10 GLN :FLIP amide:sc= -5.74! C(o=-11!,f=-5.7!) USER MOD Single : 2 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 2 23 TYR OH : rot 180:sc=-0.00244 USER MOD Single : 2 25 HIS : no HE2:sc= 0.0961 X(o=0.096,f=-0.37) USER MOD Single : 2 27 THR OG1 : rot 180:sc= -0.0397 USER MOD Single : 2 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 2 32 ASN :FLIP amide:sc= -0.0522 F(o=-1.5,f=-0.052) USER MOD Single : 2 33 ASN : amide:sc= -0.285 K(o=-0.29,f=-2.6!) USER MOD Single : 2 40 SER OG : rot 93:sc= 0.957 USER MOD Single : 2 50 LYS NZ :NH3+ -152:sc= -1.16 (180deg=-1.94!) USER MOD Single : 2 58 THR OG1 : rot -170:sc= -2.64! USER MOD ----------------------------------------------------------------- ATOM 1 N GLU 1 1 -11.814 -11.989 -3.465 1.00 0.00 N ATOM 2 CA GLU 1 1 -13.133 -11.575 -3.910 1.00 0.00 C ATOM 3 C GLU 1 1 -13.730 -10.562 -2.931 1.00 0.00 C ATOM 4 O GLU 1 1 -13.824 -9.375 -3.240 1.00 0.00 O ATOM 5 CB GLU 1 1 -14.057 -12.783 -4.082 1.00 0.00 C ATOM 6 CG GLU 1 1 -14.915 -12.641 -5.341 1.00 0.00 C ATOM 7 CD GLU 1 1 -14.164 -13.144 -6.576 1.00 0.00 C ATOM 8 OE1 GLU 1 1 -13.858 -14.356 -6.599 1.00 0.00 O ATOM 9 OE2 GLU 1 1 -13.911 -12.306 -7.467 1.00 0.00 O ATOM 0 H1 GLU 1 1 -11.420 -12.677 -4.139 1.00 0.00 H new ATOM 0 H2 GLU 1 1 -11.189 -11.159 -3.412 1.00 0.00 H new ATOM 0 H3 GLU 1 1 -11.887 -12.428 -2.525 1.00 0.00 H new ATOM 0 HA GLU 1 1 -13.033 -11.094 -4.883 1.00 0.00 H new ATOM 0 HB2 GLU 1 1 -13.462 -13.695 -4.143 1.00 0.00 H new ATOM 0 HB3 GLU 1 1 -14.701 -12.881 -3.208 1.00 0.00 H new ATOM 0 HG2 GLU 1 1 -15.841 -13.203 -5.220 1.00 0.00 H new ATOM 0 HG3 GLU 1 1 -15.193 -11.596 -5.480 1.00 0.00 H new ATOM 16 N GLU 1 2 -14.118 -11.068 -1.769 1.00 0.00 N ATOM 17 CA GLU 1 2 -14.704 -10.222 -0.743 1.00 0.00 C ATOM 18 C GLU 1 2 -13.612 -9.668 0.175 1.00 0.00 C ATOM 19 O GLU 1 2 -12.628 -9.101 -0.297 1.00 0.00 O ATOM 20 CB GLU 1 2 -15.760 -10.984 0.059 1.00 0.00 C ATOM 21 CG GLU 1 2 -16.766 -11.667 -0.869 1.00 0.00 C ATOM 22 CD GLU 1 2 -16.251 -13.034 -1.324 1.00 0.00 C ATOM 23 OE1 GLU 1 2 -15.333 -13.549 -0.650 1.00 0.00 O ATOM 24 OE2 GLU 1 2 -16.787 -13.535 -2.337 1.00 0.00 O ATOM 0 H GLU 1 2 -14.038 -12.053 -1.516 1.00 0.00 H new ATOM 0 HA GLU 1 2 -15.201 -9.384 -1.231 1.00 0.00 H new ATOM 0 HB2 GLU 1 2 -15.275 -11.731 0.688 1.00 0.00 H new ATOM 0 HB3 GLU 1 2 -16.282 -10.297 0.725 1.00 0.00 H new ATOM 0 HG2 GLU 1 2 -17.719 -11.786 -0.353 1.00 0.00 H new ATOM 0 HG3 GLU 1 2 -16.951 -11.036 -1.738 1.00 0.00 H new ATOM 31 N TYR 1 3 -13.822 -9.853 1.469 1.00 0.00 N ATOM 32 CA TYR 1 3 -12.868 -9.380 2.459 1.00 0.00 C ATOM 33 C TYR 1 3 -11.848 -10.468 2.801 1.00 0.00 C ATOM 34 O TYR 1 3 -11.773 -10.916 3.944 1.00 0.00 O ATOM 35 CB TYR 1 3 -13.685 -9.052 3.710 1.00 0.00 C ATOM 36 CG TYR 1 3 -14.810 -10.048 3.997 1.00 0.00 C ATOM 37 CD1 TYR 1 3 -14.554 -11.184 4.738 1.00 0.00 C ATOM 38 CD2 TYR 1 3 -16.082 -9.811 3.516 1.00 0.00 C ATOM 39 CE1 TYR 1 3 -15.611 -12.123 5.009 1.00 0.00 C ATOM 40 CE2 TYR 1 3 -17.140 -10.750 3.787 1.00 0.00 C ATOM 41 CZ TYR 1 3 -16.853 -11.858 4.520 1.00 0.00 C ATOM 42 OH TYR 1 3 -17.853 -12.744 4.775 1.00 0.00 O ATOM 0 H TYR 1 3 -14.639 -10.324 1.856 1.00 0.00 H new ATOM 0 HA TYR 1 3 -12.319 -8.518 2.081 1.00 0.00 H new ATOM 0 HB2 TYR 1 3 -13.016 -9.018 4.570 1.00 0.00 H new ATOM 0 HB3 TYR 1 3 -14.114 -8.056 3.600 1.00 0.00 H new ATOM 0 HD1 TYR 1 3 -13.559 -11.369 5.115 1.00 0.00 H new ATOM 0 HD2 TYR 1 3 -16.284 -8.922 2.937 1.00 0.00 H new ATOM 0 HE1 TYR 1 3 -15.423 -13.016 5.586 1.00 0.00 H new ATOM 0 HE2 TYR 1 3 -18.139 -10.577 3.416 1.00 0.00 H new ATOM 0 HH TYR 1 3 -18.685 -12.426 4.366 1.00 0.00 H new ATOM 52 N VAL 1 4 -11.088 -10.860 1.789 1.00 0.00 N ATOM 53 CA VAL 1 4 -10.075 -11.886 1.969 1.00 0.00 C ATOM 54 C VAL 1 4 -8.722 -11.348 1.500 1.00 0.00 C ATOM 55 O VAL 1 4 -7.746 -11.374 2.248 1.00 0.00 O ATOM 56 CB VAL 1 4 -10.493 -13.166 1.244 1.00 0.00 C ATOM 57 CG1 VAL 1 4 -9.407 -14.239 1.355 1.00 0.00 C ATOM 58 CG2 VAL 1 4 -11.832 -13.684 1.774 1.00 0.00 C ATOM 0 H VAL 1 4 -11.153 -10.486 0.842 1.00 0.00 H new ATOM 0 HA VAL 1 4 -9.975 -12.143 3.023 1.00 0.00 H new ATOM 0 HB VAL 1 4 -10.621 -12.927 0.188 1.00 0.00 H new ATOM 0 HG11 VAL 1 4 -9.730 -15.139 0.831 1.00 0.00 H new ATOM 0 HG12 VAL 1 4 -8.484 -13.870 0.908 1.00 0.00 H new ATOM 0 HG13 VAL 1 4 -9.233 -14.473 2.405 1.00 0.00 H new ATOM 0 HG21 VAL 1 4 -12.106 -14.595 1.242 1.00 0.00 H new ATOM 0 HG22 VAL 1 4 -11.743 -13.899 2.839 1.00 0.00 H new ATOM 0 HG23 VAL 1 4 -12.602 -12.928 1.619 1.00 0.00 H new ATOM 68 N GLY 1 5 -8.706 -10.873 0.262 1.00 0.00 N ATOM 69 CA GLY 1 5 -7.488 -10.331 -0.315 1.00 0.00 C ATOM 70 C GLY 1 5 -7.091 -9.023 0.371 1.00 0.00 C ATOM 71 O GLY 1 5 -6.089 -8.406 0.011 1.00 0.00 O ATOM 0 H GLY 1 5 -9.517 -10.853 -0.356 1.00 0.00 H new ATOM 0 HA2 GLY 1 5 -6.681 -11.057 -0.217 1.00 0.00 H new ATOM 0 HA3 GLY 1 5 -7.633 -10.157 -1.381 1.00 0.00 H new ATOM 75 N LEU 1 6 -7.898 -8.636 1.349 1.00 0.00 N ATOM 76 CA LEU 1 6 -7.643 -7.412 2.089 1.00 0.00 C ATOM 77 C LEU 1 6 -7.960 -7.641 3.568 1.00 0.00 C ATOM 78 O LEU 1 6 -8.285 -6.700 4.291 1.00 0.00 O ATOM 79 CB LEU 1 6 -8.410 -6.242 1.471 1.00 0.00 C ATOM 80 CG LEU 1 6 -9.235 -6.565 0.223 1.00 0.00 C ATOM 81 CD1 LEU 1 6 -8.327 -6.890 -0.965 1.00 0.00 C ATOM 82 CD2 LEU 1 6 -10.236 -7.688 0.503 1.00 0.00 C ATOM 0 H LEU 1 6 -8.728 -9.149 1.646 1.00 0.00 H new ATOM 0 HA LEU 1 6 -6.589 -7.141 2.025 1.00 0.00 H new ATOM 0 HB2 LEU 1 6 -9.078 -5.831 2.228 1.00 0.00 H new ATOM 0 HB3 LEU 1 6 -7.696 -5.459 1.217 1.00 0.00 H new ATOM 0 HG LEU 1 6 -9.811 -5.679 -0.044 1.00 0.00 H new ATOM 0 HD11 LEU 1 6 -8.938 -7.116 -1.839 1.00 0.00 H new ATOM 0 HD12 LEU 1 6 -7.689 -6.033 -1.180 1.00 0.00 H new ATOM 0 HD13 LEU 1 6 -7.707 -7.753 -0.723 1.00 0.00 H new ATOM 0 HD21 LEU 1 6 -10.809 -7.898 -0.400 1.00 0.00 H new ATOM 0 HD22 LEU 1 6 -9.699 -8.586 0.809 1.00 0.00 H new ATOM 0 HD23 LEU 1 6 -10.914 -7.381 1.300 1.00 0.00 H new ATOM 94 N SER 1 7 -7.854 -8.897 3.976 1.00 0.00 N ATOM 95 CA SER 1 7 -8.125 -9.262 5.356 1.00 0.00 C ATOM 96 C SER 1 7 -6.810 -9.469 6.110 1.00 0.00 C ATOM 97 O SER 1 7 -5.749 -9.580 5.497 1.00 0.00 O ATOM 98 CB SER 1 7 -8.986 -10.524 5.434 1.00 0.00 C ATOM 99 OG SER 1 7 -8.397 -11.616 4.733 1.00 0.00 O ATOM 0 H SER 1 7 -7.584 -9.675 3.375 1.00 0.00 H new ATOM 0 HA SER 1 7 -8.680 -8.448 5.822 1.00 0.00 H new ATOM 0 HB2 SER 1 7 -9.131 -10.800 6.478 1.00 0.00 H new ATOM 0 HB3 SER 1 7 -9.972 -10.316 5.019 1.00 0.00 H new ATOM 0 HG SER 1 7 -8.129 -11.323 3.837 1.00 0.00 H new ATOM 105 N ALA 1 8 -6.922 -9.516 7.429 1.00 0.00 N ATOM 106 CA ALA 1 8 -5.755 -9.709 8.274 1.00 0.00 C ATOM 107 C ALA 1 8 -5.227 -11.133 8.089 1.00 0.00 C ATOM 108 O ALA 1 8 -4.184 -11.487 8.635 1.00 0.00 O ATOM 109 CB ALA 1 8 -6.122 -9.407 9.728 1.00 0.00 C ATOM 0 H ALA 1 8 -7.803 -9.424 7.934 1.00 0.00 H new ATOM 0 HA ALA 1 8 -4.957 -9.022 7.990 1.00 0.00 H new ATOM 0 HB1 ALA 1 8 -5.247 -9.552 10.362 1.00 0.00 H new ATOM 0 HB2 ALA 1 8 -6.463 -8.375 9.810 1.00 0.00 H new ATOM 0 HB3 ALA 1 8 -6.918 -10.079 10.049 1.00 0.00 H new ATOM 115 N ASN 1 9 -5.972 -11.912 7.317 1.00 0.00 N ATOM 116 CA ASN 1 9 -5.592 -13.289 7.054 1.00 0.00 C ATOM 117 C ASN 1 9 -4.764 -13.348 5.770 1.00 0.00 C ATOM 118 O ASN 1 9 -4.160 -14.375 5.463 1.00 0.00 O ATOM 119 CB ASN 1 9 -6.826 -14.173 6.863 1.00 0.00 C ATOM 120 CG ASN 1 9 -6.699 -15.472 7.664 1.00 0.00 C ATOM 121 OD1 ASN 1 9 -7.450 -15.738 8.587 1.00 0.00 O ATOM 122 ND2 ASN 1 9 -5.707 -16.261 7.259 1.00 0.00 N ATOM 0 H ASN 1 9 -6.837 -11.615 6.865 1.00 0.00 H new ATOM 0 HA ASN 1 9 -5.018 -13.650 7.908 1.00 0.00 H new ATOM 0 HB2 ASN 1 9 -7.718 -13.632 7.179 1.00 0.00 H new ATOM 0 HB3 ASN 1 9 -6.952 -14.404 5.805 1.00 0.00 H new ATOM 0 HD21 ASN 1 9 -5.538 -17.150 7.729 1.00 0.00 H new ATOM 0 HD22 ASN 1 9 -5.115 -15.977 6.478 1.00 0.00 H new ATOM 129 N GLN 1 10 -4.763 -12.234 5.052 1.00 0.00 N ATOM 130 CA GLN 1 10 -4.019 -12.147 3.807 1.00 0.00 C ATOM 131 C GLN 1 10 -2.517 -12.261 4.077 1.00 0.00 C ATOM 132 O GLN 1 10 -1.794 -12.908 3.320 1.00 0.00 O ATOM 133 CB GLN 1 10 -4.346 -10.850 3.063 1.00 0.00 C ATOM 134 CG GLN 1 10 -4.761 -11.137 1.619 1.00 0.00 C ATOM 135 CD GLN 1 10 -3.643 -10.765 0.642 1.00 0.00 C ATOM 136 OE1 GLN 1 10 -3.284 -9.486 0.692 1.00 0.00 O flip ATOM 137 NE2 GLN 1 10 -3.140 -11.587 -0.106 1.00 0.00 N flip ATOM 0 H GLN 1 10 -5.266 -11.384 5.309 1.00 0.00 H new ATOM 0 HA GLN 1 10 -4.317 -12.979 3.169 1.00 0.00 H new ATOM 0 HB2 GLN 1 10 -5.149 -10.323 3.578 1.00 0.00 H new ATOM 0 HB3 GLN 1 10 -3.477 -10.192 3.072 1.00 0.00 H new ATOM 0 HG2 GLN 1 10 -5.007 -12.193 1.511 1.00 0.00 H new ATOM 0 HG3 GLN 1 10 -5.662 -10.574 1.377 1.00 0.00 H new ATOM 0 HE21 GLN 1 10 -3.464 -12.554 -0.093 1.00 0.00 H new ATOM 0 HE22 GLN 1 10 -2.396 -11.307 -0.745 1.00 0.00 H new ATOM 146 N CYS 1 11 -2.092 -11.621 5.157 1.00 0.00 N ATOM 147 CA CYS 1 11 -0.689 -11.642 5.535 1.00 0.00 C ATOM 148 C CYS 1 11 -0.371 -13.020 6.122 1.00 0.00 C ATOM 149 O CYS 1 11 0.762 -13.279 6.525 1.00 0.00 O ATOM 150 CB CYS 1 11 -0.350 -10.514 6.511 1.00 0.00 C ATOM 151 SG CYS 1 11 1.398 -10.465 7.050 1.00 0.00 S ATOM 0 H CYS 1 11 -2.694 -11.085 5.782 1.00 0.00 H new ATOM 0 HA CYS 1 11 -0.069 -11.471 4.655 1.00 0.00 H new ATOM 0 HB2 CYS 1 11 -0.598 -9.561 6.043 1.00 0.00 H new ATOM 0 HB3 CYS 1 11 -0.985 -10.612 7.392 1.00 0.00 H new ATOM 156 N ALA 1 12 -1.391 -13.865 6.151 1.00 0.00 N ATOM 157 CA ALA 1 12 -1.233 -15.209 6.682 1.00 0.00 C ATOM 158 C ALA 1 12 -1.224 -16.210 5.526 1.00 0.00 C ATOM 159 O ALA 1 12 -1.271 -17.419 5.748 1.00 0.00 O ATOM 160 CB ALA 1 12 -2.348 -15.492 7.691 1.00 0.00 C ATOM 0 H ALA 1 12 -2.329 -13.646 5.816 1.00 0.00 H new ATOM 0 HA ALA 1 12 -0.284 -15.306 7.209 1.00 0.00 H new ATOM 0 HB1 ALA 1 12 -2.231 -16.500 8.090 1.00 0.00 H new ATOM 0 HB2 ALA 1 12 -2.293 -14.770 8.506 1.00 0.00 H new ATOM 0 HB3 ALA 1 12 -3.316 -15.408 7.197 1.00 0.00 H new ATOM 166 N VAL 1 13 -1.163 -15.671 4.317 1.00 0.00 N ATOM 167 CA VAL 1 13 -1.148 -16.502 3.126 1.00 0.00 C ATOM 168 C VAL 1 13 -0.266 -17.728 3.377 1.00 0.00 C ATOM 169 O VAL 1 13 0.577 -17.718 4.273 1.00 0.00 O ATOM 170 CB VAL 1 13 -0.696 -15.678 1.919 1.00 0.00 C ATOM 171 CG1 VAL 1 13 0.691 -16.114 1.445 1.00 0.00 C ATOM 172 CG2 VAL 1 13 -1.717 -15.767 0.782 1.00 0.00 C ATOM 0 H VAL 1 13 -1.123 -14.668 4.137 1.00 0.00 H new ATOM 0 HA VAL 1 13 -2.151 -16.863 2.899 1.00 0.00 H new ATOM 0 HB VAL 1 13 -0.630 -14.636 2.231 1.00 0.00 H new ATOM 0 HG11 VAL 1 13 0.988 -15.512 0.586 1.00 0.00 H new ATOM 0 HG12 VAL 1 13 1.411 -15.976 2.251 1.00 0.00 H new ATOM 0 HG13 VAL 1 13 0.664 -17.166 1.159 1.00 0.00 H new ATOM 0 HG21 VAL 1 13 -1.372 -15.173 -0.064 1.00 0.00 H new ATOM 0 HG22 VAL 1 13 -1.829 -16.807 0.474 1.00 0.00 H new ATOM 0 HG23 VAL 1 13 -2.678 -15.385 1.126 1.00 0.00 H new ATOM 182 N PRO 1 14 -0.496 -18.780 2.547 1.00 0.00 N ATOM 183 CA PRO 1 14 0.267 -20.011 2.671 1.00 0.00 C ATOM 184 C PRO 1 14 1.682 -19.836 2.113 1.00 0.00 C ATOM 185 O PRO 1 14 2.278 -20.789 1.615 1.00 0.00 O ATOM 186 CB PRO 1 14 -0.543 -21.053 1.918 1.00 0.00 C ATOM 187 CG PRO 1 14 -1.485 -20.276 1.013 1.00 0.00 C ATOM 188 CD PRO 1 14 -1.485 -18.828 1.474 1.00 0.00 C ATOM 0 HA PRO 1 14 0.414 -20.313 3.708 1.00 0.00 H new ATOM 0 HB2 PRO 1 14 0.107 -21.707 1.336 1.00 0.00 H new ATOM 0 HB3 PRO 1 14 -1.099 -21.688 2.607 1.00 0.00 H new ATOM 0 HG2 PRO 1 14 -1.161 -20.346 -0.025 1.00 0.00 H new ATOM 0 HG3 PRO 1 14 -2.491 -20.692 1.062 1.00 0.00 H new ATOM 0 HD2 PRO 1 14 -1.219 -18.153 0.660 1.00 0.00 H new ATOM 0 HD3 PRO 1 14 -2.470 -18.526 1.830 1.00 0.00 H new ATOM 196 N ALA 1 15 2.177 -18.612 2.217 1.00 0.00 N ATOM 197 CA ALA 1 15 3.511 -18.301 1.730 1.00 0.00 C ATOM 198 C ALA 1 15 3.673 -18.854 0.312 1.00 0.00 C ATOM 199 O ALA 1 15 4.370 -19.846 0.106 1.00 0.00 O ATOM 200 CB ALA 1 15 4.553 -18.863 2.699 1.00 0.00 C ATOM 0 H ALA 1 15 1.679 -17.824 2.631 1.00 0.00 H new ATOM 0 HA ALA 1 15 3.661 -17.222 1.682 1.00 0.00 H new ATOM 0 HB1 ALA 1 15 5.553 -18.630 2.333 1.00 0.00 H new ATOM 0 HB2 ALA 1 15 4.413 -18.416 3.683 1.00 0.00 H new ATOM 0 HB3 ALA 1 15 4.436 -19.944 2.772 1.00 0.00 H new ATOM 206 N LYS 1 16 3.018 -18.187 -0.627 1.00 0.00 N ATOM 207 CA LYS 1 16 3.081 -18.600 -2.019 1.00 0.00 C ATOM 208 C LYS 1 16 1.935 -17.944 -2.793 1.00 0.00 C ATOM 209 O LYS 1 16 1.188 -18.624 -3.496 1.00 0.00 O ATOM 210 CB LYS 1 16 3.101 -20.125 -2.125 1.00 0.00 C ATOM 211 CG LYS 1 16 2.168 -20.760 -1.092 1.00 0.00 C ATOM 212 CD LYS 1 16 1.135 -21.663 -1.768 1.00 0.00 C ATOM 213 CE LYS 1 16 1.732 -23.033 -2.093 1.00 0.00 C ATOM 214 NZ LYS 1 16 0.779 -23.838 -2.888 1.00 0.00 N ATOM 0 H LYS 1 16 2.441 -17.364 -0.452 1.00 0.00 H new ATOM 0 HA LYS 1 16 4.011 -18.260 -2.476 1.00 0.00 H new ATOM 0 HB2 LYS 1 16 2.798 -20.427 -3.128 1.00 0.00 H new ATOM 0 HB3 LYS 1 16 4.117 -20.490 -1.975 1.00 0.00 H new ATOM 0 HG2 LYS 1 16 2.752 -21.341 -0.378 1.00 0.00 H new ATOM 0 HG3 LYS 1 16 1.659 -19.979 -0.527 1.00 0.00 H new ATOM 0 HD2 LYS 1 16 0.271 -21.785 -1.115 1.00 0.00 H new ATOM 0 HD3 LYS 1 16 0.779 -21.191 -2.684 1.00 0.00 H new ATOM 0 HE2 LYS 1 16 2.663 -22.909 -2.647 1.00 0.00 H new ATOM 0 HE3 LYS 1 16 1.978 -23.557 -1.170 1.00 0.00 H new ATOM 0 HZ1 LYS 1 16 1.200 -24.765 -3.100 1.00 0.00 H new ATOM 0 HZ2 LYS 1 16 -0.099 -23.972 -2.346 1.00 0.00 H new ATOM 0 HZ3 LYS 1 16 0.565 -23.344 -3.778 1.00 0.00 H new ATOM 228 N ASP 1 17 1.833 -16.632 -2.638 1.00 0.00 N ATOM 229 CA ASP 1 17 0.790 -15.878 -3.313 1.00 0.00 C ATOM 230 C ASP 1 17 1.103 -14.384 -3.214 1.00 0.00 C ATOM 231 O ASP 1 17 0.670 -13.599 -4.057 1.00 0.00 O ATOM 232 CB ASP 1 17 -0.574 -16.120 -2.663 1.00 0.00 C ATOM 233 CG ASP 1 17 -1.776 -15.713 -3.516 1.00 0.00 C ATOM 234 OD1 ASP 1 17 -2.188 -16.546 -4.352 1.00 0.00 O ATOM 235 OD2 ASP 1 17 -2.258 -14.578 -3.313 1.00 0.00 O ATOM 0 H ASP 1 17 2.455 -16.072 -2.055 1.00 0.00 H new ATOM 0 HA ASP 1 17 0.756 -16.205 -4.352 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 -0.661 -17.179 -2.420 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 -0.613 -15.573 -1.721 1.00 0.00 H new ATOM 240 N ARG 1 18 1.852 -14.036 -2.178 1.00 0.00 N ATOM 241 CA ARG 1 18 2.227 -12.649 -1.958 1.00 0.00 C ATOM 242 C ARG 1 18 2.746 -12.028 -3.256 1.00 0.00 C ATOM 243 O ARG 1 18 2.855 -12.709 -4.275 1.00 0.00 O ATOM 244 CB ARG 1 18 3.306 -12.535 -0.879 1.00 0.00 C ATOM 245 CG ARG 1 18 2.853 -13.201 0.421 1.00 0.00 C ATOM 246 CD ARG 1 18 4.000 -13.984 1.065 1.00 0.00 C ATOM 247 NE ARG 1 18 3.601 -14.451 2.411 1.00 0.00 N ATOM 248 CZ ARG 1 18 4.467 -14.774 3.382 1.00 0.00 C ATOM 249 NH1 ARG 1 18 5.785 -14.682 3.161 1.00 0.00 N ATOM 250 NH2 ARG 1 18 4.014 -15.189 4.573 1.00 0.00 N ATOM 0 H ARG 1 18 2.209 -14.690 -1.482 1.00 0.00 H new ATOM 0 HA ARG 1 18 1.338 -12.113 -1.625 1.00 0.00 H new ATOM 0 HB2 ARG 1 18 4.227 -13.002 -1.229 1.00 0.00 H new ATOM 0 HB3 ARG 1 18 3.531 -11.485 -0.694 1.00 0.00 H new ATOM 0 HG2 ARG 1 18 2.491 -12.443 1.115 1.00 0.00 H new ATOM 0 HG3 ARG 1 18 2.018 -13.872 0.218 1.00 0.00 H new ATOM 0 HD2 ARG 1 18 4.266 -14.836 0.439 1.00 0.00 H new ATOM 0 HD3 ARG 1 18 4.886 -13.353 1.138 1.00 0.00 H new ATOM 0 HE ARG 1 18 2.604 -14.532 2.613 1.00 0.00 H new ATOM 0 HH11 ARG 1 18 6.129 -14.366 2.254 1.00 0.00 H new ATOM 0 HH12 ARG 1 18 6.444 -14.928 3.899 1.00 0.00 H new ATOM 0 HH21 ARG 1 18 3.010 -15.259 4.741 1.00 0.00 H new ATOM 0 HH22 ARG 1 18 4.673 -15.435 5.312 1.00 0.00 H new ATOM 264 N VAL 1 19 3.053 -10.741 -3.177 1.00 0.00 N ATOM 265 CA VAL 1 19 3.558 -10.021 -4.333 1.00 0.00 C ATOM 266 C VAL 1 19 5.030 -9.668 -4.107 1.00 0.00 C ATOM 267 O VAL 1 19 5.559 -8.755 -4.740 1.00 0.00 O ATOM 268 CB VAL 1 19 2.686 -8.794 -4.608 1.00 0.00 C ATOM 269 CG1 VAL 1 19 2.959 -8.227 -6.003 1.00 0.00 C ATOM 270 CG2 VAL 1 19 1.202 -9.127 -4.434 1.00 0.00 C ATOM 0 H VAL 1 19 2.962 -10.179 -2.331 1.00 0.00 H new ATOM 0 HA VAL 1 19 3.506 -10.647 -5.224 1.00 0.00 H new ATOM 0 HB VAL 1 19 2.947 -8.028 -3.878 1.00 0.00 H new ATOM 0 HG11 VAL 1 19 2.326 -7.356 -6.172 1.00 0.00 H new ATOM 0 HG12 VAL 1 19 4.006 -7.935 -6.078 1.00 0.00 H new ATOM 0 HG13 VAL 1 19 2.739 -8.986 -6.754 1.00 0.00 H new ATOM 0 HG21 VAL 1 19 0.604 -8.238 -4.635 1.00 0.00 H new ATOM 0 HG22 VAL 1 19 0.922 -9.918 -5.130 1.00 0.00 H new ATOM 0 HG23 VAL 1 19 1.022 -9.462 -3.413 1.00 0.00 H new ATOM 280 N ASP 1 20 5.650 -10.410 -3.200 1.00 0.00 N ATOM 281 CA ASP 1 20 7.050 -10.186 -2.882 1.00 0.00 C ATOM 282 C ASP 1 20 7.371 -8.697 -3.028 1.00 0.00 C ATOM 283 O ASP 1 20 7.733 -8.241 -4.111 1.00 0.00 O ATOM 284 CB ASP 1 20 7.962 -10.963 -3.833 1.00 0.00 C ATOM 285 CG ASP 1 20 9.336 -10.333 -4.070 1.00 0.00 C ATOM 286 OD1 ASP 1 20 10.036 -10.100 -3.060 1.00 0.00 O ATOM 287 OD2 ASP 1 20 9.656 -10.098 -5.255 1.00 0.00 O ATOM 0 H ASP 1 20 5.209 -11.166 -2.676 1.00 0.00 H new ATOM 0 HA ASP 1 20 7.222 -10.525 -1.861 1.00 0.00 H new ATOM 0 HB2 ASP 1 20 8.103 -11.968 -3.436 1.00 0.00 H new ATOM 0 HB3 ASP 1 20 7.456 -11.067 -4.793 1.00 0.00 H new ATOM 292 N CYS 1 21 7.227 -7.982 -1.922 1.00 0.00 N ATOM 293 CA CYS 1 21 7.497 -6.555 -1.914 1.00 0.00 C ATOM 294 C CYS 1 21 8.903 -6.328 -2.474 1.00 0.00 C ATOM 295 O CYS 1 21 9.153 -5.332 -3.151 1.00 0.00 O ATOM 296 CB CYS 1 21 7.337 -5.957 -0.515 1.00 0.00 C ATOM 297 SG CYS 1 21 6.512 -4.324 -0.467 1.00 0.00 S ATOM 0 H CYS 1 21 6.927 -8.365 -1.025 1.00 0.00 H new ATOM 0 HA CYS 1 21 6.770 -6.042 -2.543 1.00 0.00 H new ATOM 0 HB2 CYS 1 21 6.767 -6.654 0.100 1.00 0.00 H new ATOM 0 HB3 CYS 1 21 8.323 -5.863 -0.060 1.00 0.00 H new ATOM 302 N GLY 1 22 9.785 -7.270 -2.170 1.00 0.00 N ATOM 303 CA GLY 1 22 11.159 -7.185 -2.633 1.00 0.00 C ATOM 304 C GLY 1 22 11.817 -5.885 -2.168 1.00 0.00 C ATOM 305 O GLY 1 22 12.327 -5.117 -2.982 1.00 0.00 O ATOM 0 H GLY 1 22 9.574 -8.095 -1.609 1.00 0.00 H new ATOM 0 HA2 GLY 1 22 11.726 -8.037 -2.258 1.00 0.00 H new ATOM 0 HA3 GLY 1 22 11.183 -7.240 -3.721 1.00 0.00 H new ATOM 309 N TYR 1 23 11.782 -5.678 -0.860 1.00 0.00 N ATOM 310 CA TYR 1 23 12.369 -4.483 -0.276 1.00 0.00 C ATOM 311 C TYR 1 23 13.835 -4.717 0.094 1.00 0.00 C ATOM 312 O TYR 1 23 14.193 -5.788 0.579 1.00 0.00 O ATOM 313 CB TYR 1 23 11.572 -4.202 0.999 1.00 0.00 C ATOM 314 CG TYR 1 23 11.212 -2.728 1.198 1.00 0.00 C ATOM 315 CD1 TYR 1 23 10.745 -1.984 0.134 1.00 0.00 C ATOM 316 CD2 TYR 1 23 11.357 -2.143 2.439 1.00 0.00 C ATOM 317 CE1 TYR 1 23 10.407 -0.595 0.320 1.00 0.00 C ATOM 318 CE2 TYR 1 23 11.019 -0.756 2.624 1.00 0.00 C ATOM 319 CZ TYR 1 23 10.561 -0.050 1.556 1.00 0.00 C ATOM 320 OH TYR 1 23 10.242 1.260 1.732 1.00 0.00 O ATOM 0 H TYR 1 23 11.357 -6.317 -0.188 1.00 0.00 H new ATOM 0 HA TYR 1 23 12.334 -3.654 -0.982 1.00 0.00 H new ATOM 0 HB2 TYR 1 23 10.654 -4.790 0.978 1.00 0.00 H new ATOM 0 HB3 TYR 1 23 12.149 -4.543 1.858 1.00 0.00 H new ATOM 0 HD1 TYR 1 23 10.633 -2.442 -0.838 1.00 0.00 H new ATOM 0 HD2 TYR 1 23 11.724 -2.725 3.271 1.00 0.00 H new ATOM 0 HE1 TYR 1 23 10.040 -0.001 -0.504 1.00 0.00 H new ATOM 0 HE2 TYR 1 23 11.127 -0.286 3.590 1.00 0.00 H new ATOM 0 HH TYR 1 23 9.528 1.509 1.109 1.00 0.00 H new ATOM 330 N PRO 1 24 14.665 -3.668 -0.154 1.00 0.00 N ATOM 331 CA PRO 1 24 16.084 -3.748 0.147 1.00 0.00 C ATOM 332 C PRO 1 24 16.331 -3.632 1.653 1.00 0.00 C ATOM 333 O PRO 1 24 17.460 -3.795 2.114 1.00 0.00 O ATOM 334 CB PRO 1 24 16.719 -2.620 -0.649 1.00 0.00 C ATOM 335 CG PRO 1 24 15.588 -1.666 -0.997 1.00 0.00 C ATOM 336 CD PRO 1 24 14.275 -2.383 -0.728 1.00 0.00 C ATOM 0 HA PRO 1 24 16.521 -4.707 -0.131 1.00 0.00 H new ATOM 0 HB2 PRO 1 24 17.489 -2.116 -0.065 1.00 0.00 H new ATOM 0 HB3 PRO 1 24 17.200 -3.001 -1.550 1.00 0.00 H new ATOM 0 HG2 PRO 1 24 15.657 -0.758 -0.398 1.00 0.00 H new ATOM 0 HG3 PRO 1 24 15.651 -1.364 -2.042 1.00 0.00 H new ATOM 0 HD2 PRO 1 24 13.648 -1.816 -0.040 1.00 0.00 H new ATOM 0 HD3 PRO 1 24 13.702 -2.517 -1.645 1.00 0.00 H new ATOM 344 N HIS 1 25 15.258 -3.350 2.377 1.00 0.00 N ATOM 345 CA HIS 1 25 15.344 -3.210 3.820 1.00 0.00 C ATOM 346 C HIS 1 25 14.243 -4.039 4.483 1.00 0.00 C ATOM 347 O HIS 1 25 13.591 -3.576 5.418 1.00 0.00 O ATOM 348 CB HIS 1 25 15.303 -1.735 4.226 1.00 0.00 C ATOM 349 CG HIS 1 25 16.663 -1.129 4.480 1.00 0.00 C ATOM 350 ND1 HIS 1 25 17.621 -1.743 5.268 1.00 0.00 N ATOM 351 CD2 HIS 1 25 17.214 0.038 4.041 1.00 0.00 C ATOM 352 CE1 HIS 1 25 18.696 -0.969 5.296 1.00 0.00 C ATOM 353 NE2 HIS 1 25 18.442 0.135 4.536 1.00 0.00 N ATOM 0 H HIS 1 25 14.324 -3.215 1.991 1.00 0.00 H new ATOM 0 HA HIS 1 25 16.301 -3.596 4.170 1.00 0.00 H new ATOM 0 HB2 HIS 1 25 14.804 -1.167 3.441 1.00 0.00 H new ATOM 0 HB3 HIS 1 25 14.698 -1.634 5.127 1.00 0.00 H new ATOM 0 HD2 HIS 1 25 16.733 0.761 3.399 1.00 0.00 H new ATOM 0 HE1 HIS 1 25 19.613 -1.176 5.828 1.00 0.00 H new ATOM 0 HE2 HIS 1 25 19.089 0.907 4.375 1.00 0.00 H new ATOM 362 N VAL 1 26 14.068 -5.249 3.973 1.00 0.00 N ATOM 363 CA VAL 1 26 13.057 -6.147 4.505 1.00 0.00 C ATOM 364 C VAL 1 26 13.365 -6.443 5.974 1.00 0.00 C ATOM 365 O VAL 1 26 14.431 -6.966 6.295 1.00 0.00 O ATOM 366 CB VAL 1 26 12.975 -7.410 3.645 1.00 0.00 C ATOM 367 CG1 VAL 1 26 14.371 -7.902 3.259 1.00 0.00 C ATOM 368 CG2 VAL 1 26 12.182 -8.507 4.357 1.00 0.00 C ATOM 0 H VAL 1 26 14.610 -5.629 3.197 1.00 0.00 H new ATOM 0 HA VAL 1 26 12.073 -5.679 4.468 1.00 0.00 H new ATOM 0 HB VAL 1 26 12.445 -7.157 2.727 1.00 0.00 H new ATOM 0 HG11 VAL 1 26 14.284 -8.801 2.648 1.00 0.00 H new ATOM 0 HG12 VAL 1 26 14.886 -7.126 2.692 1.00 0.00 H new ATOM 0 HG13 VAL 1 26 14.939 -8.130 4.161 1.00 0.00 H new ATOM 0 HG21 VAL 1 26 12.139 -9.394 3.724 1.00 0.00 H new ATOM 0 HG22 VAL 1 26 12.671 -8.757 5.299 1.00 0.00 H new ATOM 0 HG23 VAL 1 26 11.170 -8.154 4.556 1.00 0.00 H new ATOM 378 N THR 1 27 12.413 -6.095 6.827 1.00 0.00 N ATOM 379 CA THR 1 27 12.569 -6.317 8.254 1.00 0.00 C ATOM 380 C THR 1 27 11.231 -6.133 8.973 1.00 0.00 C ATOM 381 O THR 1 27 10.367 -5.394 8.502 1.00 0.00 O ATOM 382 CB THR 1 27 13.666 -5.378 8.761 1.00 0.00 C ATOM 383 OG1 THR 1 27 14.674 -6.257 9.254 1.00 0.00 O ATOM 384 CG2 THR 1 27 13.232 -4.583 9.995 1.00 0.00 C ATOM 0 H THR 1 27 11.530 -5.661 6.557 1.00 0.00 H new ATOM 0 HA THR 1 27 12.875 -7.342 8.463 1.00 0.00 H new ATOM 0 HB THR 1 27 13.950 -4.689 7.966 1.00 0.00 H new ATOM 0 HG1 THR 1 27 15.007 -6.816 8.522 1.00 0.00 H new ATOM 0 HG21 THR 1 27 14.047 -3.933 10.314 1.00 0.00 H new ATOM 0 HG22 THR 1 27 12.359 -3.978 9.750 1.00 0.00 H new ATOM 0 HG23 THR 1 27 12.981 -5.272 10.802 1.00 0.00 H new ATOM 392 N PRO 1 28 11.098 -6.834 10.130 1.00 0.00 N ATOM 393 CA PRO 1 28 9.880 -6.755 10.918 1.00 0.00 C ATOM 394 C PRO 1 28 9.801 -5.426 11.673 1.00 0.00 C ATOM 395 O PRO 1 28 9.697 -5.410 12.898 1.00 0.00 O ATOM 396 CB PRO 1 28 9.929 -7.961 11.841 1.00 0.00 C ATOM 397 CG PRO 1 28 11.382 -8.409 11.864 1.00 0.00 C ATOM 398 CD PRO 1 28 12.101 -7.718 10.717 1.00 0.00 C ATOM 0 HA PRO 1 28 8.980 -6.777 10.304 1.00 0.00 H new ATOM 0 HB2 PRO 1 28 9.584 -7.701 12.842 1.00 0.00 H new ATOM 0 HB3 PRO 1 28 9.280 -8.758 11.477 1.00 0.00 H new ATOM 0 HG2 PRO 1 28 11.846 -8.151 12.816 1.00 0.00 H new ATOM 0 HG3 PRO 1 28 11.449 -9.492 11.760 1.00 0.00 H new ATOM 0 HD2 PRO 1 28 12.965 -7.156 11.072 1.00 0.00 H new ATOM 0 HD3 PRO 1 28 12.468 -8.440 9.988 1.00 0.00 H new ATOM 406 N LYS 1 29 9.855 -4.345 10.910 1.00 0.00 N ATOM 407 CA LYS 1 29 9.791 -3.014 11.492 1.00 0.00 C ATOM 408 C LYS 1 29 9.892 -1.970 10.378 1.00 0.00 C ATOM 409 O LYS 1 29 9.394 -0.854 10.522 1.00 0.00 O ATOM 410 CB LYS 1 29 10.851 -2.856 12.583 1.00 0.00 C ATOM 411 CG LYS 1 29 10.762 -1.476 13.238 1.00 0.00 C ATOM 412 CD LYS 1 29 10.964 -1.572 14.752 1.00 0.00 C ATOM 413 CE LYS 1 29 9.634 -1.813 15.467 1.00 0.00 C ATOM 414 NZ LYS 1 29 9.357 -0.721 16.427 1.00 0.00 N ATOM 0 H LYS 1 29 9.942 -4.363 9.894 1.00 0.00 H new ATOM 0 HA LYS 1 29 8.832 -2.859 11.987 1.00 0.00 H new ATOM 0 HB2 LYS 1 29 10.719 -3.630 13.339 1.00 0.00 H new ATOM 0 HB3 LYS 1 29 11.843 -2.996 12.154 1.00 0.00 H new ATOM 0 HG2 LYS 1 29 11.516 -0.817 12.808 1.00 0.00 H new ATOM 0 HG3 LYS 1 29 9.790 -1.031 13.025 1.00 0.00 H new ATOM 0 HD2 LYS 1 29 11.656 -2.383 14.980 1.00 0.00 H new ATOM 0 HD3 LYS 1 29 11.418 -0.652 15.121 1.00 0.00 H new ATOM 0 HE2 LYS 1 29 8.828 -1.876 14.736 1.00 0.00 H new ATOM 0 HE3 LYS 1 29 9.664 -2.768 15.992 1.00 0.00 H new ATOM 0 HZ1 LYS 1 29 8.450 -0.900 16.904 1.00 0.00 H new ATOM 0 HZ2 LYS 1 29 10.118 -0.679 17.134 1.00 0.00 H new ATOM 0 HZ3 LYS 1 29 9.308 0.185 15.918 1.00 0.00 H new ATOM 428 N GLU 1 30 10.539 -2.369 9.294 1.00 0.00 N ATOM 429 CA GLU 1 30 10.713 -1.481 8.157 1.00 0.00 C ATOM 430 C GLU 1 30 9.633 -1.750 7.106 1.00 0.00 C ATOM 431 O GLU 1 30 9.026 -0.817 6.583 1.00 0.00 O ATOM 432 CB GLU 1 30 12.111 -1.626 7.556 1.00 0.00 C ATOM 433 CG GLU 1 30 12.980 -0.412 7.892 1.00 0.00 C ATOM 434 CD GLU 1 30 13.261 0.424 6.641 1.00 0.00 C ATOM 435 OE1 GLU 1 30 12.386 0.421 5.748 1.00 0.00 O ATOM 436 OE2 GLU 1 30 14.344 1.048 6.607 1.00 0.00 O ATOM 0 H GLU 1 30 10.949 -3.296 9.178 1.00 0.00 H new ATOM 0 HA GLU 1 30 10.609 -0.453 8.504 1.00 0.00 H new ATOM 0 HB2 GLU 1 30 12.582 -2.532 7.937 1.00 0.00 H new ATOM 0 HB3 GLU 1 30 12.036 -1.736 6.474 1.00 0.00 H new ATOM 0 HG2 GLU 1 30 12.479 0.203 8.640 1.00 0.00 H new ATOM 0 HG3 GLU 1 30 13.921 -0.744 8.331 1.00 0.00 H new ATOM 443 N CYS 1 31 9.429 -3.028 6.827 1.00 0.00 N ATOM 444 CA CYS 1 31 8.434 -3.431 5.847 1.00 0.00 C ATOM 445 C CYS 1 31 7.056 -3.005 6.359 1.00 0.00 C ATOM 446 O CYS 1 31 6.333 -2.283 5.676 1.00 0.00 O ATOM 447 CB CYS 1 31 8.498 -4.932 5.560 1.00 0.00 C ATOM 448 SG CYS 1 31 9.653 -5.410 4.222 1.00 0.00 S ATOM 0 H CYS 1 31 9.936 -3.799 7.262 1.00 0.00 H new ATOM 0 HA CYS 1 31 8.635 -2.938 4.896 1.00 0.00 H new ATOM 0 HB2 CYS 1 31 8.789 -5.450 6.474 1.00 0.00 H new ATOM 0 HB3 CYS 1 31 7.499 -5.281 5.300 1.00 0.00 H new ATOM 453 N ASN 1 32 6.735 -3.473 7.556 1.00 0.00 N ATOM 454 CA ASN 1 32 5.457 -3.150 8.167 1.00 0.00 C ATOM 455 C ASN 1 32 5.369 -1.639 8.388 1.00 0.00 C ATOM 456 O ASN 1 32 4.322 -1.124 8.774 1.00 0.00 O ATOM 457 CB ASN 1 32 5.308 -3.836 9.526 1.00 0.00 C ATOM 458 CG ASN 1 32 4.482 -5.118 9.406 1.00 0.00 C ATOM 459 OD1 ASN 1 32 5.021 -6.035 8.608 1.00 0.00 O flip ATOM 460 ND2 ASN 1 32 3.427 -5.267 9.999 1.00 0.00 N flip ATOM 0 H ASN 1 32 7.338 -4.073 8.119 1.00 0.00 H new ATOM 0 HA ASN 1 32 4.667 -3.495 7.500 1.00 0.00 H new ATOM 0 HB2 ASN 1 32 6.293 -4.071 9.929 1.00 0.00 H new ATOM 0 HB3 ASN 1 32 4.829 -3.155 10.230 1.00 0.00 H new ATOM 0 HD21 ASN 1 32 3.068 -4.522 10.597 1.00 0.00 H new ATOM 0 HD22 ASN 1 32 2.903 -6.136 9.897 1.00 0.00 H new ATOM 467 N ASN 1 33 6.484 -0.970 8.133 1.00 0.00 N ATOM 468 CA ASN 1 33 6.547 0.472 8.298 1.00 0.00 C ATOM 469 C ASN 1 33 6.528 1.141 6.922 1.00 0.00 C ATOM 470 O ASN 1 33 6.100 2.286 6.789 1.00 0.00 O ATOM 471 CB ASN 1 33 7.835 0.890 9.010 1.00 0.00 C ATOM 472 CG ASN 1 33 8.004 2.410 8.989 1.00 0.00 C ATOM 473 OD1 ASN 1 33 7.188 3.158 9.501 1.00 0.00 O ATOM 474 ND2 ASN 1 33 9.107 2.823 8.370 1.00 0.00 N ATOM 0 H ASN 1 33 7.352 -1.401 7.813 1.00 0.00 H new ATOM 0 HA ASN 1 33 5.689 0.780 8.896 1.00 0.00 H new ATOM 0 HB2 ASN 1 33 7.816 0.537 10.041 1.00 0.00 H new ATOM 0 HB3 ASN 1 33 8.691 0.419 8.527 1.00 0.00 H new ATOM 0 HD21 ASN 1 33 9.311 3.820 8.303 1.00 0.00 H new ATOM 0 HD22 ASN 1 33 9.748 2.142 7.963 1.00 0.00 H new ATOM 481 N ARG 1 34 6.999 0.396 5.931 1.00 0.00 N ATOM 482 CA ARG 1 34 7.043 0.903 4.570 1.00 0.00 C ATOM 483 C ARG 1 34 5.711 0.641 3.864 1.00 0.00 C ATOM 484 O ARG 1 34 5.348 1.356 2.931 1.00 0.00 O ATOM 485 CB ARG 1 34 8.172 0.246 3.774 1.00 0.00 C ATOM 486 CG ARG 1 34 7.666 -0.981 3.015 1.00 0.00 C ATOM 487 CD ARG 1 34 7.302 -0.624 1.573 1.00 0.00 C ATOM 488 NE ARG 1 34 5.890 -0.974 1.304 1.00 0.00 N ATOM 489 CZ ARG 1 34 5.417 -1.313 0.097 1.00 0.00 C ATOM 490 NH1 ARG 1 34 6.239 -1.348 -0.960 1.00 0.00 N ATOM 491 NH2 ARG 1 34 4.121 -1.617 -0.053 1.00 0.00 N ATOM 0 H ARG 1 34 7.353 -0.554 6.044 1.00 0.00 H new ATOM 0 HA ARG 1 34 7.227 1.976 4.621 1.00 0.00 H new ATOM 0 HB2 ARG 1 34 8.592 0.965 3.071 1.00 0.00 H new ATOM 0 HB3 ARG 1 34 8.976 -0.046 4.450 1.00 0.00 H new ATOM 0 HG2 ARG 1 34 8.432 -1.756 3.019 1.00 0.00 H new ATOM 0 HG3 ARG 1 34 6.794 -1.392 3.523 1.00 0.00 H new ATOM 0 HD2 ARG 1 34 7.460 0.441 1.403 1.00 0.00 H new ATOM 0 HD3 ARG 1 34 7.955 -1.157 0.882 1.00 0.00 H new ATOM 0 HE ARG 1 34 5.236 -0.956 2.086 1.00 0.00 H new ATOM 0 HH11 ARG 1 34 7.226 -1.117 -0.846 1.00 0.00 H new ATOM 0 HH12 ARG 1 34 5.878 -1.606 -1.878 1.00 0.00 H new ATOM 0 HH21 ARG 1 34 3.494 -1.590 0.751 1.00 0.00 H new ATOM 0 HH22 ARG 1 34 3.761 -1.875 -0.972 1.00 0.00 H new ATOM 505 N GLY 1 35 5.019 -0.386 4.336 1.00 0.00 N ATOM 506 CA GLY 1 35 3.736 -0.751 3.761 1.00 0.00 C ATOM 507 C GLY 1 35 3.743 -2.204 3.282 1.00 0.00 C ATOM 508 O GLY 1 35 2.946 -2.583 2.425 1.00 0.00 O ATOM 0 H GLY 1 35 5.323 -0.977 5.110 1.00 0.00 H new ATOM 0 HA2 GLY 1 35 2.949 -0.613 4.502 1.00 0.00 H new ATOM 0 HA3 GLY 1 35 3.507 -0.090 2.925 1.00 0.00 H new ATOM 512 N CYS 1 36 4.651 -2.978 3.858 1.00 0.00 N ATOM 513 CA CYS 1 36 4.771 -4.382 3.501 1.00 0.00 C ATOM 514 C CYS 1 36 4.515 -5.220 4.755 1.00 0.00 C ATOM 515 O CYS 1 36 4.297 -4.676 5.837 1.00 0.00 O ATOM 516 CB CYS 1 36 6.133 -4.692 2.877 1.00 0.00 C ATOM 517 SG CYS 1 36 6.495 -3.778 1.332 1.00 0.00 S ATOM 0 H CYS 1 36 5.310 -2.660 4.569 1.00 0.00 H new ATOM 0 HA CYS 1 36 4.031 -4.631 2.741 1.00 0.00 H new ATOM 0 HB2 CYS 1 36 6.911 -4.467 3.607 1.00 0.00 H new ATOM 0 HB3 CYS 1 36 6.188 -5.761 2.672 1.00 0.00 H new ATOM 522 N CYS 1 37 4.549 -6.531 4.569 1.00 0.00 N ATOM 523 CA CYS 1 37 4.323 -7.450 5.672 1.00 0.00 C ATOM 524 C CYS 1 37 5.522 -8.396 5.761 1.00 0.00 C ATOM 525 O CYS 1 37 5.868 -9.060 4.785 1.00 0.00 O ATOM 526 CB CYS 1 37 3.005 -8.212 5.512 1.00 0.00 C ATOM 527 SG CYS 1 37 2.330 -8.911 7.062 1.00 0.00 S ATOM 0 H CYS 1 37 4.730 -6.979 3.671 1.00 0.00 H new ATOM 0 HA CYS 1 37 4.233 -6.891 6.603 1.00 0.00 H new ATOM 0 HB2 CYS 1 37 2.263 -7.540 5.080 1.00 0.00 H new ATOM 0 HB3 CYS 1 37 3.155 -9.023 4.799 1.00 0.00 H new ATOM 532 N PHE 1 38 6.121 -8.429 6.942 1.00 0.00 N ATOM 533 CA PHE 1 38 7.274 -9.283 7.173 1.00 0.00 C ATOM 534 C PHE 1 38 6.843 -10.662 7.679 1.00 0.00 C ATOM 535 O PHE 1 38 6.211 -10.771 8.729 1.00 0.00 O ATOM 536 CB PHE 1 38 8.128 -8.603 8.245 1.00 0.00 C ATOM 537 CG PHE 1 38 9.500 -9.248 8.449 1.00 0.00 C ATOM 538 CD1 PHE 1 38 10.520 -8.960 7.599 1.00 0.00 C ATOM 539 CD2 PHE 1 38 9.699 -10.110 9.483 1.00 0.00 C ATOM 540 CE1 PHE 1 38 11.794 -9.558 7.789 1.00 0.00 C ATOM 541 CE2 PHE 1 38 10.973 -10.708 9.673 1.00 0.00 C ATOM 542 CZ PHE 1 38 11.993 -10.419 8.822 1.00 0.00 C ATOM 0 H PHE 1 38 5.830 -7.878 7.750 1.00 0.00 H new ATOM 0 HA PHE 1 38 7.825 -9.423 6.243 1.00 0.00 H new ATOM 0 HB2 PHE 1 38 8.267 -7.556 7.975 1.00 0.00 H new ATOM 0 HB3 PHE 1 38 7.586 -8.619 9.191 1.00 0.00 H new ATOM 0 HD1 PHE 1 38 10.362 -8.276 6.778 1.00 0.00 H new ATOM 0 HD2 PHE 1 38 8.888 -10.339 10.159 1.00 0.00 H new ATOM 0 HE1 PHE 1 38 12.605 -9.329 7.113 1.00 0.00 H new ATOM 0 HE2 PHE 1 38 11.132 -11.392 10.493 1.00 0.00 H new ATOM 0 HZ PHE 1 38 12.962 -10.874 8.967 1.00 0.00 H new ATOM 552 N ASP 1 39 7.202 -11.678 6.909 1.00 0.00 N ATOM 553 CA ASP 1 39 6.860 -13.044 7.266 1.00 0.00 C ATOM 554 C ASP 1 39 7.878 -13.572 8.281 1.00 0.00 C ATOM 555 O ASP 1 39 7.637 -13.529 9.486 1.00 0.00 O ATOM 556 CB ASP 1 39 6.896 -13.960 6.041 1.00 0.00 C ATOM 557 CG ASP 1 39 7.325 -15.401 6.323 1.00 0.00 C ATOM 558 OD1 ASP 1 39 6.540 -16.105 6.994 1.00 0.00 O ATOM 559 OD2 ASP 1 39 8.428 -15.766 5.862 1.00 0.00 O ATOM 0 H ASP 1 39 7.726 -11.583 6.039 1.00 0.00 H new ATOM 0 HA ASP 1 39 5.853 -13.041 7.684 1.00 0.00 H new ATOM 0 HB2 ASP 1 39 5.905 -13.974 5.588 1.00 0.00 H new ATOM 0 HB3 ASP 1 39 7.577 -13.531 5.306 1.00 0.00 H new ATOM 564 N SER 1 40 8.992 -14.057 7.755 1.00 0.00 N ATOM 565 CA SER 1 40 10.047 -14.591 8.599 1.00 0.00 C ATOM 566 C SER 1 40 9.766 -16.061 8.919 1.00 0.00 C ATOM 567 O SER 1 40 10.683 -16.815 9.242 1.00 0.00 O ATOM 568 CB SER 1 40 10.182 -13.783 9.891 1.00 0.00 C ATOM 569 OG SER 1 40 11.532 -13.718 10.342 1.00 0.00 O ATOM 0 H SER 1 40 9.187 -14.092 6.755 1.00 0.00 H new ATOM 0 HA SER 1 40 10.990 -14.517 8.057 1.00 0.00 H new ATOM 0 HB2 SER 1 40 9.805 -12.773 9.728 1.00 0.00 H new ATOM 0 HB3 SER 1 40 9.562 -14.233 10.666 1.00 0.00 H new ATOM 0 HG SER 1 40 11.976 -12.945 9.934 1.00 0.00 H new ATOM 575 N ARG 1 41 8.496 -16.423 8.818 1.00 0.00 N ATOM 576 CA ARG 1 41 8.084 -17.789 9.093 1.00 0.00 C ATOM 577 C ARG 1 41 8.678 -18.742 8.054 1.00 0.00 C ATOM 578 O ARG 1 41 9.161 -19.820 8.400 1.00 0.00 O ATOM 579 CB ARG 1 41 6.559 -17.917 9.080 1.00 0.00 C ATOM 580 CG ARG 1 41 5.901 -16.705 9.743 1.00 0.00 C ATOM 581 CD ARG 1 41 4.690 -17.127 10.576 1.00 0.00 C ATOM 582 NE ARG 1 41 5.120 -17.497 11.943 1.00 0.00 N ATOM 583 CZ ARG 1 41 4.426 -18.307 12.756 1.00 0.00 C ATOM 584 NH1 ARG 1 41 3.267 -18.836 12.343 1.00 0.00 N ATOM 585 NH2 ARG 1 41 4.893 -18.587 13.980 1.00 0.00 N ATOM 0 H ARG 1 41 7.739 -15.795 8.550 1.00 0.00 H new ATOM 0 HA ARG 1 41 8.451 -18.053 10.085 1.00 0.00 H new ATOM 0 HB2 ARG 1 41 6.207 -18.010 8.053 1.00 0.00 H new ATOM 0 HB3 ARG 1 41 6.262 -18.827 9.602 1.00 0.00 H new ATOM 0 HG2 ARG 1 41 6.625 -16.196 10.379 1.00 0.00 H new ATOM 0 HG3 ARG 1 41 5.591 -15.992 8.979 1.00 0.00 H new ATOM 0 HD2 ARG 1 41 3.968 -16.312 10.621 1.00 0.00 H new ATOM 0 HD3 ARG 1 41 4.189 -17.971 10.102 1.00 0.00 H new ATOM 0 HE ARG 1 41 5.999 -17.112 12.288 1.00 0.00 H new ATOM 0 HH11 ARG 1 41 2.913 -18.623 11.411 1.00 0.00 H new ATOM 0 HH12 ARG 1 41 2.739 -19.452 12.961 1.00 0.00 H new ATOM 0 HH21 ARG 1 41 5.776 -18.184 14.293 1.00 0.00 H new ATOM 0 HH22 ARG 1 41 4.365 -19.203 14.599 1.00 0.00 H new ATOM 599 N ILE 1 42 8.624 -18.311 6.803 1.00 0.00 N ATOM 600 CA ILE 1 42 9.150 -19.113 5.712 1.00 0.00 C ATOM 601 C ILE 1 42 10.236 -18.321 4.981 1.00 0.00 C ATOM 602 O ILE 1 42 9.937 -17.365 4.266 1.00 0.00 O ATOM 603 CB ILE 1 42 8.017 -19.588 4.800 1.00 0.00 C ATOM 604 CG1 ILE 1 42 6.721 -19.781 5.591 1.00 0.00 C ATOM 605 CG2 ILE 1 42 8.418 -20.854 4.039 1.00 0.00 C ATOM 606 CD1 ILE 1 42 5.676 -20.526 4.758 1.00 0.00 C ATOM 0 H ILE 1 42 8.224 -17.416 6.520 1.00 0.00 H new ATOM 0 HA ILE 1 42 9.619 -20.019 6.097 1.00 0.00 H new ATOM 0 HB ILE 1 42 7.829 -18.813 4.057 1.00 0.00 H new ATOM 0 HG12 ILE 1 42 6.928 -20.339 6.504 1.00 0.00 H new ATOM 0 HG13 ILE 1 42 6.327 -18.811 5.892 1.00 0.00 H new ATOM 0 HG21 ILE 1 42 7.594 -21.170 3.398 1.00 0.00 H new ATOM 0 HG22 ILE 1 42 9.296 -20.648 3.426 1.00 0.00 H new ATOM 0 HG23 ILE 1 42 8.650 -21.647 4.749 1.00 0.00 H new ATOM 0 HD11 ILE 1 42 4.765 -20.650 5.343 1.00 0.00 H new ATOM 0 HD12 ILE 1 42 5.454 -19.954 3.857 1.00 0.00 H new ATOM 0 HD13 ILE 1 42 6.064 -21.506 4.479 1.00 0.00 H new ATOM 618 N PRO 1 43 11.506 -18.758 5.190 1.00 0.00 N ATOM 619 CA PRO 1 43 12.638 -18.102 4.559 1.00 0.00 C ATOM 620 C PRO 1 43 12.722 -18.460 3.074 1.00 0.00 C ATOM 621 O PRO 1 43 13.566 -17.931 2.351 1.00 0.00 O ATOM 622 CB PRO 1 43 13.851 -18.560 5.351 1.00 0.00 C ATOM 623 CG PRO 1 43 13.414 -19.812 6.095 1.00 0.00 C ATOM 624 CD PRO 1 43 11.898 -19.887 6.030 1.00 0.00 C ATOM 0 HA PRO 1 43 12.557 -17.015 4.576 1.00 0.00 H new ATOM 0 HB2 PRO 1 43 14.692 -18.772 4.690 1.00 0.00 H new ATOM 0 HB3 PRO 1 43 14.178 -17.787 6.046 1.00 0.00 H new ATOM 0 HG2 PRO 1 43 13.860 -20.699 5.645 1.00 0.00 H new ATOM 0 HG3 PRO 1 43 13.750 -19.777 7.131 1.00 0.00 H new ATOM 0 HD2 PRO 1 43 11.566 -20.833 5.602 1.00 0.00 H new ATOM 0 HD3 PRO 1 43 11.455 -19.814 7.023 1.00 0.00 H new ATOM 632 N GLY 1 44 11.838 -19.355 2.663 1.00 0.00 N ATOM 633 CA GLY 1 44 11.801 -19.792 1.278 1.00 0.00 C ATOM 634 C GLY 1 44 10.858 -18.915 0.452 1.00 0.00 C ATOM 635 O GLY 1 44 10.789 -19.049 -0.770 1.00 0.00 O ATOM 0 H GLY 1 44 11.140 -19.791 3.266 1.00 0.00 H new ATOM 0 HA2 GLY 1 44 12.804 -19.754 0.854 1.00 0.00 H new ATOM 0 HA3 GLY 1 44 11.474 -20.831 1.229 1.00 0.00 H new ATOM 639 N VAL 1 45 10.154 -18.037 1.151 1.00 0.00 N ATOM 640 CA VAL 1 45 9.217 -17.138 0.498 1.00 0.00 C ATOM 641 C VAL 1 45 9.622 -15.691 0.784 1.00 0.00 C ATOM 642 O VAL 1 45 10.657 -15.441 1.399 1.00 0.00 O ATOM 643 CB VAL 1 45 7.789 -17.459 0.941 1.00 0.00 C ATOM 644 CG1 VAL 1 45 7.606 -18.962 1.160 1.00 0.00 C ATOM 645 CG2 VAL 1 45 7.416 -16.673 2.201 1.00 0.00 C ATOM 0 H VAL 1 45 10.214 -17.929 2.163 1.00 0.00 H new ATOM 0 HA VAL 1 45 9.245 -17.275 -0.583 1.00 0.00 H new ATOM 0 HB VAL 1 45 7.114 -17.153 0.141 1.00 0.00 H new ATOM 0 HG11 VAL 1 45 6.582 -19.162 1.474 1.00 0.00 H new ATOM 0 HG12 VAL 1 45 7.810 -19.493 0.230 1.00 0.00 H new ATOM 0 HG13 VAL 1 45 8.296 -19.304 1.932 1.00 0.00 H new ATOM 0 HG21 VAL 1 45 6.396 -16.920 2.495 1.00 0.00 H new ATOM 0 HG22 VAL 1 45 8.100 -16.935 3.009 1.00 0.00 H new ATOM 0 HG23 VAL 1 45 7.487 -15.604 1.998 1.00 0.00 H new ATOM 655 N PRO 1 46 8.761 -14.750 0.312 1.00 0.00 N ATOM 656 CA PRO 1 46 9.018 -13.333 0.510 1.00 0.00 C ATOM 657 C PRO 1 46 8.730 -12.922 1.956 1.00 0.00 C ATOM 658 O PRO 1 46 7.620 -13.112 2.449 1.00 0.00 O ATOM 659 CB PRO 1 46 8.127 -12.626 -0.498 1.00 0.00 C ATOM 660 CG PRO 1 46 7.067 -13.639 -0.899 1.00 0.00 C ATOM 661 CD PRO 1 46 7.525 -15.007 -0.421 1.00 0.00 C ATOM 0 HA PRO 1 46 10.063 -13.068 0.350 1.00 0.00 H new ATOM 0 HB2 PRO 1 46 7.672 -11.737 -0.061 1.00 0.00 H new ATOM 0 HB3 PRO 1 46 8.701 -12.298 -1.364 1.00 0.00 H new ATOM 0 HG2 PRO 1 46 6.106 -13.382 -0.455 1.00 0.00 H new ATOM 0 HG3 PRO 1 46 6.929 -13.639 -1.980 1.00 0.00 H new ATOM 0 HD2 PRO 1 46 6.776 -15.474 0.218 1.00 0.00 H new ATOM 0 HD3 PRO 1 46 7.695 -15.683 -1.259 1.00 0.00 H new ATOM 669 N TRP 1 47 9.749 -12.364 2.594 1.00 0.00 N ATOM 670 CA TRP 1 47 9.619 -11.924 3.971 1.00 0.00 C ATOM 671 C TRP 1 47 9.243 -10.441 3.961 1.00 0.00 C ATOM 672 O TRP 1 47 9.516 -9.720 4.919 1.00 0.00 O ATOM 673 CB TRP 1 47 10.899 -12.210 4.761 1.00 0.00 C ATOM 674 CG TRP 1 47 11.844 -13.199 4.077 1.00 0.00 C ATOM 675 CD1 TRP 1 47 11.733 -14.532 4.005 1.00 0.00 C ATOM 676 CD2 TRP 1 47 13.058 -12.876 3.366 1.00 0.00 C ATOM 677 NE1 TRP 1 47 12.782 -15.090 3.303 1.00 0.00 N ATOM 678 CE2 TRP 1 47 13.613 -14.052 2.902 1.00 0.00 C ATOM 679 CE3 TRP 1 47 13.667 -11.633 3.123 1.00 0.00 C ATOM 680 CZ2 TRP 1 47 14.803 -14.099 2.167 1.00 0.00 C ATOM 681 CZ3 TRP 1 47 14.856 -11.697 2.387 1.00 0.00 C ATOM 682 CH2 TRP 1 47 15.428 -12.872 1.913 1.00 0.00 C ATOM 0 H TRP 1 47 10.668 -12.207 2.181 1.00 0.00 H new ATOM 0 HA TRP 1 47 8.831 -12.479 4.480 1.00 0.00 H new ATOM 0 HB2 TRP 1 47 11.429 -11.272 4.926 1.00 0.00 H new ATOM 0 HB3 TRP 1 47 10.629 -12.601 5.742 1.00 0.00 H new ATOM 0 HD1 TRP 1 47 10.924 -15.099 4.442 1.00 0.00 H new ATOM 0 HE1 TRP 1 47 12.921 -16.082 3.113 1.00 0.00 H new ATOM 0 HE3 TRP 1 47 13.250 -10.701 3.476 1.00 0.00 H new ATOM 0 HZ2 TRP 1 47 15.217 -15.032 1.814 1.00 0.00 H new ATOM 0 HZ3 TRP 1 47 15.364 -10.769 2.172 1.00 0.00 H new ATOM 0 HH2 TRP 1 47 16.350 -12.839 1.352 1.00 0.00 H new ATOM 693 N CYS 1 48 8.620 -10.030 2.866 1.00 0.00 N ATOM 694 CA CYS 1 48 8.203 -8.646 2.717 1.00 0.00 C ATOM 695 C CYS 1 48 7.259 -8.555 1.517 1.00 0.00 C ATOM 696 O CYS 1 48 7.701 -8.603 0.371 1.00 0.00 O ATOM 697 CB CYS 1 48 9.401 -7.705 2.573 1.00 0.00 C ATOM 698 SG CYS 1 48 8.985 -5.924 2.584 1.00 0.00 S ATOM 0 H CYS 1 48 8.394 -10.631 2.074 1.00 0.00 H new ATOM 0 HA CYS 1 48 7.678 -8.324 3.616 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 10.101 -7.905 3.384 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 9.917 -7.937 1.642 1.00 0.00 H new ATOM 703 N PHE 1 49 5.976 -8.424 1.823 1.00 0.00 N ATOM 704 CA PHE 1 49 4.965 -8.326 0.784 1.00 0.00 C ATOM 705 C PHE 1 49 3.884 -7.313 1.164 1.00 0.00 C ATOM 706 O PHE 1 49 4.035 -6.575 2.136 1.00 0.00 O ATOM 707 CB PHE 1 49 4.325 -9.710 0.649 1.00 0.00 C ATOM 708 CG PHE 1 49 4.364 -10.540 1.933 1.00 0.00 C ATOM 709 CD1 PHE 1 49 5.555 -10.968 2.431 1.00 0.00 C ATOM 710 CD2 PHE 1 49 3.207 -10.851 2.577 1.00 0.00 C ATOM 711 CE1 PHE 1 49 5.591 -11.739 3.623 1.00 0.00 C ATOM 712 CE2 PHE 1 49 3.243 -11.622 3.768 1.00 0.00 C ATOM 713 CZ PHE 1 49 4.434 -12.050 4.266 1.00 0.00 C ATOM 0 H PHE 1 49 5.614 -8.383 2.776 1.00 0.00 H new ATOM 0 HA PHE 1 49 5.422 -7.996 -0.149 1.00 0.00 H new ATOM 0 HB2 PHE 1 49 3.287 -9.591 0.337 1.00 0.00 H new ATOM 0 HB3 PHE 1 49 4.835 -10.259 -0.142 1.00 0.00 H new ATOM 0 HD1 PHE 1 49 6.474 -10.721 1.920 1.00 0.00 H new ATOM 0 HD2 PHE 1 49 2.261 -10.511 2.182 1.00 0.00 H new ATOM 0 HE1 PHE 1 49 6.537 -12.078 4.019 1.00 0.00 H new ATOM 0 HE2 PHE 1 49 2.324 -11.869 4.279 1.00 0.00 H new ATOM 0 HZ PHE 1 49 4.461 -12.637 5.172 1.00 0.00 H new ATOM 723 N LYS 1 50 2.819 -7.308 0.376 1.00 0.00 N ATOM 724 CA LYS 1 50 1.713 -6.398 0.619 1.00 0.00 C ATOM 725 C LYS 1 50 0.419 -7.201 0.770 1.00 0.00 C ATOM 726 O LYS 1 50 -0.454 -7.146 -0.094 1.00 0.00 O ATOM 727 CB LYS 1 50 1.649 -5.330 -0.475 1.00 0.00 C ATOM 728 CG LYS 1 50 1.630 -5.969 -1.865 1.00 0.00 C ATOM 729 CD LYS 1 50 2.777 -5.439 -2.728 1.00 0.00 C ATOM 730 CE LYS 1 50 4.072 -6.207 -2.451 1.00 0.00 C ATOM 731 NZ LYS 1 50 4.807 -6.454 -3.711 1.00 0.00 N ATOM 0 H LYS 1 50 2.699 -7.920 -0.431 1.00 0.00 H new ATOM 0 HA LYS 1 50 1.863 -5.857 1.554 1.00 0.00 H new ATOM 0 HB2 LYS 1 50 0.757 -4.719 -0.340 1.00 0.00 H new ATOM 0 HB3 LYS 1 50 2.508 -4.664 -0.389 1.00 0.00 H new ATOM 0 HG2 LYS 1 50 1.710 -7.052 -1.772 1.00 0.00 H new ATOM 0 HG3 LYS 1 50 0.677 -5.761 -2.352 1.00 0.00 H new ATOM 0 HD2 LYS 1 50 2.515 -5.529 -3.782 1.00 0.00 H new ATOM 0 HD3 LYS 1 50 2.929 -4.379 -2.526 1.00 0.00 H new ATOM 0 HE2 LYS 1 50 4.698 -5.639 -1.763 1.00 0.00 H new ATOM 0 HE3 LYS 1 50 3.843 -7.155 -1.965 1.00 0.00 H new ATOM 0 HZ1 LYS 1 50 5.349 -7.338 -3.629 1.00 0.00 H new ATOM 0 HZ2 LYS 1 50 4.131 -6.534 -4.497 1.00 0.00 H new ATOM 0 HZ3 LYS 1 50 5.458 -5.664 -3.894 1.00 0.00 H new ATOM 745 N PRO 1 51 0.337 -7.948 1.904 1.00 0.00 N ATOM 746 CA PRO 1 51 -0.836 -8.762 2.179 1.00 0.00 C ATOM 747 C PRO 1 51 -2.014 -7.893 2.623 1.00 0.00 C ATOM 748 O PRO 1 51 -2.717 -7.321 1.792 1.00 0.00 O ATOM 749 CB PRO 1 51 -0.388 -9.747 3.246 1.00 0.00 C ATOM 750 CG PRO 1 51 0.869 -9.154 3.860 1.00 0.00 C ATOM 751 CD PRO 1 51 1.352 -8.038 2.949 1.00 0.00 C ATOM 0 HA PRO 1 51 -1.200 -9.289 1.297 1.00 0.00 H new ATOM 0 HB2 PRO 1 51 -1.163 -9.885 4.000 1.00 0.00 H new ATOM 0 HB3 PRO 1 51 -0.186 -10.727 2.813 1.00 0.00 H new ATOM 0 HG2 PRO 1 51 0.661 -8.769 4.858 1.00 0.00 H new ATOM 0 HG3 PRO 1 51 1.638 -9.919 3.968 1.00 0.00 H new ATOM 0 HD2 PRO 1 51 1.447 -7.097 3.491 1.00 0.00 H new ATOM 0 HD3 PRO 1 51 2.333 -8.265 2.530 1.00 0.00 H new ATOM 759 N LEU 1 52 -2.193 -7.822 3.934 1.00 0.00 N ATOM 760 CA LEU 1 52 -3.275 -7.033 4.500 1.00 0.00 C ATOM 761 C LEU 1 52 -2.767 -5.621 4.799 1.00 0.00 C ATOM 762 O LEU 1 52 -3.213 -4.987 5.754 1.00 0.00 O ATOM 763 CB LEU 1 52 -3.875 -7.741 5.716 1.00 0.00 C ATOM 764 CG LEU 1 52 -3.251 -7.395 7.070 1.00 0.00 C ATOM 765 CD1 LEU 1 52 -4.272 -6.720 7.988 1.00 0.00 C ATOM 766 CD2 LEU 1 52 -2.628 -8.633 7.718 1.00 0.00 C ATOM 0 H LEU 1 52 -1.607 -8.298 4.621 1.00 0.00 H new ATOM 0 HA LEU 1 52 -4.090 -6.934 3.783 1.00 0.00 H new ATOM 0 HB2 LEU 1 52 -4.939 -7.508 5.759 1.00 0.00 H new ATOM 0 HB3 LEU 1 52 -3.790 -8.817 5.564 1.00 0.00 H new ATOM 0 HG LEU 1 52 -2.446 -6.679 6.903 1.00 0.00 H new ATOM 0 HD11 LEU 1 52 -3.803 -6.485 8.943 1.00 0.00 H new ATOM 0 HD12 LEU 1 52 -4.628 -5.801 7.523 1.00 0.00 H new ATOM 0 HD13 LEU 1 52 -5.114 -7.393 8.153 1.00 0.00 H new ATOM 0 HD21 LEU 1 52 -2.192 -8.360 8.679 1.00 0.00 H new ATOM 0 HD22 LEU 1 52 -3.397 -9.390 7.871 1.00 0.00 H new ATOM 0 HD23 LEU 1 52 -1.851 -9.032 7.067 1.00 0.00 H new ATOM 778 N GLN 1 53 -1.841 -5.170 3.966 1.00 0.00 N ATOM 779 CA GLN 1 53 -1.268 -3.845 4.129 1.00 0.00 C ATOM 780 C GLN 1 53 -2.377 -2.794 4.216 1.00 0.00 C ATOM 781 O GLN 1 53 -2.153 -1.689 4.707 1.00 0.00 O ATOM 782 CB GLN 1 53 -0.297 -3.523 2.991 1.00 0.00 C ATOM 783 CG GLN 1 53 0.898 -4.478 3.004 1.00 0.00 C ATOM 784 CD GLN 1 53 1.615 -4.439 4.356 1.00 0.00 C ATOM 785 OE1 GLN 1 53 1.951 -5.457 4.939 1.00 0.00 O ATOM 786 NE2 GLN 1 53 1.831 -3.211 4.819 1.00 0.00 N ATOM 0 H GLN 1 53 -1.473 -5.699 3.175 1.00 0.00 H new ATOM 0 HA GLN 1 53 -0.703 -3.828 5.061 1.00 0.00 H new ATOM 0 HB2 GLN 1 53 -0.815 -3.596 2.035 1.00 0.00 H new ATOM 0 HB3 GLN 1 53 0.053 -2.495 3.087 1.00 0.00 H new ATOM 0 HG2 GLN 1 53 0.559 -5.493 2.797 1.00 0.00 H new ATOM 0 HG3 GLN 1 53 1.594 -4.206 2.211 1.00 0.00 H new ATOM 0 HE21 GLN 1 53 1.524 -2.401 4.280 1.00 0.00 H new ATOM 0 HE22 GLN 1 53 2.304 -3.079 5.713 1.00 0.00 H new ATOM 795 N GLU 1 54 -3.549 -3.175 3.731 1.00 0.00 N ATOM 796 CA GLU 1 54 -4.694 -2.281 3.748 1.00 0.00 C ATOM 797 C GLU 1 54 -4.748 -1.513 5.071 1.00 0.00 C ATOM 798 O GLU 1 54 -5.291 -0.411 5.131 1.00 0.00 O ATOM 799 CB GLU 1 54 -5.994 -3.048 3.507 1.00 0.00 C ATOM 800 CG GLU 1 54 -6.276 -4.024 4.651 1.00 0.00 C ATOM 801 CD GLU 1 54 -7.456 -3.546 5.501 1.00 0.00 C ATOM 802 OE1 GLU 1 54 -7.252 -2.576 6.262 1.00 0.00 O ATOM 803 OE2 GLU 1 54 -8.535 -4.163 5.371 1.00 0.00 O ATOM 0 H GLU 1 54 -3.731 -4.092 3.323 1.00 0.00 H new ATOM 0 HA GLU 1 54 -4.580 -1.562 2.936 1.00 0.00 H new ATOM 0 HB2 GLU 1 54 -6.822 -2.346 3.411 1.00 0.00 H new ATOM 0 HB3 GLU 1 54 -5.929 -3.594 2.566 1.00 0.00 H new ATOM 0 HG2 GLU 1 54 -6.492 -5.013 4.246 1.00 0.00 H new ATOM 0 HG3 GLU 1 54 -5.389 -4.123 5.277 1.00 0.00 H new ATOM 810 N ALA 1 55 -4.175 -2.125 6.097 1.00 0.00 N ATOM 811 CA ALA 1 55 -4.151 -1.513 7.414 1.00 0.00 C ATOM 812 C ALA 1 55 -3.898 -0.011 7.270 1.00 0.00 C ATOM 813 O ALA 1 55 -4.836 0.784 7.292 1.00 0.00 O ATOM 814 CB ALA 1 55 -3.092 -2.201 8.278 1.00 0.00 C ATOM 0 H ALA 1 55 -3.724 -3.038 6.043 1.00 0.00 H new ATOM 0 HA ALA 1 55 -5.112 -1.640 7.913 1.00 0.00 H new ATOM 0 HB1 ALA 1 55 -3.074 -1.742 9.266 1.00 0.00 H new ATOM 0 HB2 ALA 1 55 -3.333 -3.260 8.374 1.00 0.00 H new ATOM 0 HB3 ALA 1 55 -2.114 -2.092 7.810 1.00 0.00 H new ATOM 820 N GLU 1 56 -2.626 0.332 7.125 1.00 0.00 N ATOM 821 CA GLU 1 56 -2.238 1.724 6.978 1.00 0.00 C ATOM 822 C GLU 1 56 -1.604 1.955 5.604 1.00 0.00 C ATOM 823 O GLU 1 56 -0.829 2.893 5.424 1.00 0.00 O ATOM 824 CB GLU 1 56 -1.289 2.152 8.099 1.00 0.00 C ATOM 825 CG GLU 1 56 -2.062 2.463 9.382 1.00 0.00 C ATOM 826 CD GLU 1 56 -1.272 2.027 10.618 1.00 0.00 C ATOM 827 OE1 GLU 1 56 -1.030 0.806 10.734 1.00 0.00 O ATOM 828 OE2 GLU 1 56 -0.927 2.925 11.417 1.00 0.00 O ATOM 0 H GLU 1 56 -1.851 -0.331 7.106 1.00 0.00 H new ATOM 0 HA GLU 1 56 -3.134 2.340 7.052 1.00 0.00 H new ATOM 0 HB2 GLU 1 56 -0.565 1.360 8.289 1.00 0.00 H new ATOM 0 HB3 GLU 1 56 -0.725 3.031 7.787 1.00 0.00 H new ATOM 0 HG2 GLU 1 56 -2.268 3.532 9.436 1.00 0.00 H new ATOM 0 HG3 GLU 1 56 -3.025 1.953 9.363 1.00 0.00 H new ATOM 835 N CYS 1 57 -1.956 1.083 4.671 1.00 0.00 N ATOM 836 CA CYS 1 57 -1.431 1.181 3.320 1.00 0.00 C ATOM 837 C CYS 1 57 -2.552 1.675 2.403 1.00 0.00 C ATOM 838 O CYS 1 57 -2.391 2.674 1.704 1.00 0.00 O ATOM 839 CB CYS 1 57 -0.849 -0.151 2.842 1.00 0.00 C ATOM 840 SG CYS 1 57 0.521 -0.001 1.637 1.00 0.00 S ATOM 0 H CYS 1 57 -2.598 0.305 4.824 1.00 0.00 H new ATOM 0 HA CYS 1 57 -0.606 1.893 3.299 1.00 0.00 H new ATOM 0 HB2 CYS 1 57 -0.493 -0.708 3.709 1.00 0.00 H new ATOM 0 HB3 CYS 1 57 -1.648 -0.740 2.391 1.00 0.00 H new ATOM 845 N THR 1 58 -3.662 0.953 2.436 1.00 0.00 N ATOM 846 CA THR 1 58 -4.809 1.305 1.617 1.00 0.00 C ATOM 847 C THR 1 58 -5.736 2.256 2.378 1.00 0.00 C ATOM 848 O THR 1 58 -6.631 2.859 1.789 1.00 0.00 O ATOM 849 CB THR 1 58 -5.494 0.008 1.180 1.00 0.00 C ATOM 850 OG1 THR 1 58 -6.083 0.334 -0.077 1.00 0.00 O ATOM 851 CG2 THR 1 58 -6.687 -0.351 2.067 1.00 0.00 C ATOM 0 H THR 1 58 -3.791 0.125 3.018 1.00 0.00 H new ATOM 0 HA THR 1 58 -4.504 1.846 0.721 1.00 0.00 H new ATOM 0 HB THR 1 58 -4.771 -0.808 1.196 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -6.213 1.304 -0.136 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -7.137 -1.279 1.714 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -6.350 -0.480 3.096 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -7.426 0.449 2.025 1.00 0.00 H new ATOM 859 N PHE 1 59 -5.489 2.359 3.675 1.00 0.00 N ATOM 860 CA PHE 1 59 -6.290 3.225 4.522 1.00 0.00 C ATOM 861 C PHE 1 59 -6.754 4.466 3.757 1.00 0.00 C ATOM 862 O PHE 1 59 -6.063 4.935 2.853 1.00 0.00 O ATOM 863 CB PHE 1 59 -5.398 3.663 5.686 1.00 0.00 C ATOM 864 CG PHE 1 59 -6.166 4.005 6.965 1.00 0.00 C ATOM 865 CD1 PHE 1 59 -6.864 3.038 7.617 1.00 0.00 C ATOM 866 CD2 PHE 1 59 -6.149 5.276 7.448 1.00 0.00 C ATOM 867 CE1 PHE 1 59 -7.577 3.356 8.804 1.00 0.00 C ATOM 868 CE2 PHE 1 59 -6.861 5.594 8.635 1.00 0.00 C ATOM 869 CZ PHE 1 59 -7.561 4.627 9.287 1.00 0.00 C ATOM 0 H PHE 1 59 -4.745 1.857 4.160 1.00 0.00 H new ATOM 0 HA PHE 1 59 -7.176 2.691 4.866 1.00 0.00 H new ATOM 0 HB2 PHE 1 59 -4.686 2.867 5.904 1.00 0.00 H new ATOM 0 HB3 PHE 1 59 -4.819 4.534 5.379 1.00 0.00 H new ATOM 0 HD1 PHE 1 59 -6.877 2.029 7.233 1.00 0.00 H new ATOM 0 HD2 PHE 1 59 -5.594 6.044 6.929 1.00 0.00 H new ATOM 0 HE1 PHE 1 59 -8.132 2.588 9.323 1.00 0.00 H new ATOM 0 HE2 PHE 1 59 -6.847 6.603 9.020 1.00 0.00 H new ATOM 0 HZ PHE 1 59 -8.104 4.869 10.189 1.00 0.00 H new TER 879 PHE 1 59 ATOM 880 N GLU 2 1 -20.774 -2.804 -0.838 1.00 0.00 N ATOM 881 CA GLU 2 1 -19.535 -2.699 -1.589 1.00 0.00 C ATOM 882 C GLU 2 1 -19.216 -1.232 -1.883 1.00 0.00 C ATOM 883 O GLU 2 1 -19.363 -0.777 -3.017 1.00 0.00 O ATOM 884 CB GLU 2 1 -19.604 -3.515 -2.881 1.00 0.00 C ATOM 885 CG GLU 2 1 -19.577 -5.015 -2.584 1.00 0.00 C ATOM 886 CD GLU 2 1 -20.773 -5.723 -3.226 1.00 0.00 C ATOM 887 OE1 GLU 2 1 -21.866 -5.649 -2.625 1.00 0.00 O ATOM 888 OE2 GLU 2 1 -20.565 -6.322 -4.304 1.00 0.00 O ATOM 0 H1 GLU 2 1 -20.876 -3.772 -0.471 1.00 0.00 H new ATOM 0 H2 GLU 2 1 -20.757 -2.132 -0.044 1.00 0.00 H new ATOM 0 H3 GLU 2 1 -21.577 -2.583 -1.461 1.00 0.00 H new ATOM 0 HA GLU 2 1 -18.729 -3.112 -0.982 1.00 0.00 H new ATOM 0 HB2 GLU 2 1 -20.515 -3.265 -3.425 1.00 0.00 H new ATOM 0 HB3 GLU 2 1 -18.765 -3.253 -3.526 1.00 0.00 H new ATOM 0 HG2 GLU 2 1 -18.649 -5.447 -2.960 1.00 0.00 H new ATOM 0 HG3 GLU 2 1 -19.590 -5.176 -1.506 1.00 0.00 H new ATOM 895 N GLU 2 2 -18.785 -0.532 -0.844 1.00 0.00 N ATOM 896 CA GLU 2 2 -18.445 0.875 -0.977 1.00 0.00 C ATOM 897 C GLU 2 2 -16.969 1.030 -1.349 1.00 0.00 C ATOM 898 O GLU 2 2 -16.170 1.506 -0.545 1.00 0.00 O ATOM 899 CB GLU 2 2 -18.771 1.642 0.306 1.00 0.00 C ATOM 900 CG GLU 2 2 -20.280 1.842 0.456 1.00 0.00 C ATOM 901 CD GLU 2 2 -20.757 3.046 -0.358 1.00 0.00 C ATOM 902 OE1 GLU 2 2 -20.645 4.172 0.176 1.00 0.00 O ATOM 903 OE2 GLU 2 2 -21.223 2.815 -1.494 1.00 0.00 O ATOM 0 H GLU 2 2 -18.663 -0.913 0.094 1.00 0.00 H new ATOM 0 HA GLU 2 2 -19.049 1.301 -1.778 1.00 0.00 H new ATOM 0 HB2 GLU 2 2 -18.385 1.097 1.168 1.00 0.00 H new ATOM 0 HB3 GLU 2 2 -18.272 2.611 0.292 1.00 0.00 H new ATOM 0 HG2 GLU 2 2 -20.804 0.945 0.126 1.00 0.00 H new ATOM 0 HG3 GLU 2 2 -20.528 1.988 1.507 1.00 0.00 H new ATOM 910 N TYR 2 3 -16.653 0.621 -2.568 1.00 0.00 N ATOM 911 CA TYR 2 3 -15.287 0.709 -3.058 1.00 0.00 C ATOM 912 C TYR 2 3 -15.045 2.040 -3.772 1.00 0.00 C ATOM 913 O TYR 2 3 -15.242 2.143 -4.981 1.00 0.00 O ATOM 914 CB TYR 2 3 -15.124 -0.433 -4.062 1.00 0.00 C ATOM 915 CG TYR 2 3 -15.015 -1.817 -3.419 1.00 0.00 C ATOM 916 CD1 TYR 2 3 -16.058 -2.310 -2.661 1.00 0.00 C ATOM 917 CD2 TYR 2 3 -13.874 -2.572 -3.597 1.00 0.00 C ATOM 918 CE1 TYR 2 3 -15.955 -3.612 -2.055 1.00 0.00 C ATOM 919 CE2 TYR 2 3 -13.771 -3.876 -2.992 1.00 0.00 C ATOM 920 CZ TYR 2 3 -14.817 -4.331 -2.252 1.00 0.00 C ATOM 921 OH TYR 2 3 -14.721 -5.562 -1.680 1.00 0.00 O ATOM 0 H TYR 2 3 -17.319 0.227 -3.232 1.00 0.00 H new ATOM 0 HA TYR 2 3 -14.578 0.643 -2.232 1.00 0.00 H new ATOM 0 HB2 TYR 2 3 -15.974 -0.427 -4.745 1.00 0.00 H new ATOM 0 HB3 TYR 2 3 -14.232 -0.251 -4.662 1.00 0.00 H new ATOM 0 HD1 TYR 2 3 -16.951 -1.719 -2.523 1.00 0.00 H new ATOM 0 HD2 TYR 2 3 -13.058 -2.186 -4.190 1.00 0.00 H new ATOM 0 HE1 TYR 2 3 -16.763 -4.009 -1.458 1.00 0.00 H new ATOM 0 HE2 TYR 2 3 -12.884 -4.478 -3.123 1.00 0.00 H new ATOM 0 HH TYR 2 3 -13.855 -5.961 -1.906 1.00 0.00 H new ATOM 931 N VAL 2 4 -14.623 3.026 -2.993 1.00 0.00 N ATOM 932 CA VAL 2 4 -14.352 4.345 -3.537 1.00 0.00 C ATOM 933 C VAL 2 4 -13.019 4.855 -2.985 1.00 0.00 C ATOM 934 O VAL 2 4 -12.112 5.182 -3.748 1.00 0.00 O ATOM 935 CB VAL 2 4 -15.522 5.284 -3.237 1.00 0.00 C ATOM 936 CG1 VAL 2 4 -16.031 5.087 -1.807 1.00 0.00 C ATOM 937 CG2 VAL 2 4 -15.131 6.743 -3.484 1.00 0.00 C ATOM 0 H VAL 2 4 -14.462 2.937 -1.990 1.00 0.00 H new ATOM 0 HA VAL 2 4 -14.259 4.300 -4.622 1.00 0.00 H new ATOM 0 HB VAL 2 4 -16.335 5.035 -3.919 1.00 0.00 H new ATOM 0 HG11 VAL 2 4 -16.862 5.767 -1.620 1.00 0.00 H new ATOM 0 HG12 VAL 2 4 -16.367 4.058 -1.679 1.00 0.00 H new ATOM 0 HG13 VAL 2 4 -15.226 5.296 -1.102 1.00 0.00 H new ATOM 0 HG21 VAL 2 4 -15.980 7.390 -3.263 1.00 0.00 H new ATOM 0 HG22 VAL 2 4 -14.294 7.010 -2.838 1.00 0.00 H new ATOM 0 HG23 VAL 2 4 -14.839 6.870 -4.527 1.00 0.00 H new ATOM 947 N GLY 2 5 -12.944 4.907 -1.663 1.00 0.00 N ATOM 948 CA GLY 2 5 -11.736 5.373 -1.001 1.00 0.00 C ATOM 949 C GLY 2 5 -10.579 4.395 -1.219 1.00 0.00 C ATOM 950 O GLY 2 5 -9.484 4.600 -0.700 1.00 0.00 O ATOM 0 H GLY 2 5 -13.699 4.635 -1.033 1.00 0.00 H new ATOM 0 HA2 GLY 2 5 -11.463 6.356 -1.385 1.00 0.00 H new ATOM 0 HA3 GLY 2 5 -11.923 5.488 0.067 1.00 0.00 H new ATOM 954 N LEU 2 6 -10.863 3.355 -1.989 1.00 0.00 N ATOM 955 CA LEU 2 6 -9.861 2.346 -2.283 1.00 0.00 C ATOM 956 C LEU 2 6 -10.143 1.738 -3.659 1.00 0.00 C ATOM 957 O LEU 2 6 -9.724 0.616 -3.943 1.00 0.00 O ATOM 958 CB LEU 2 6 -9.793 1.313 -1.156 1.00 0.00 C ATOM 959 CG LEU 2 6 -11.130 0.712 -0.718 1.00 0.00 C ATOM 960 CD1 LEU 2 6 -11.887 1.671 0.202 1.00 0.00 C ATOM 961 CD2 LEU 2 6 -11.969 0.297 -1.928 1.00 0.00 C ATOM 0 H LEU 2 6 -11.773 3.190 -2.418 1.00 0.00 H new ATOM 0 HA LEU 2 6 -8.870 2.797 -2.331 1.00 0.00 H new ATOM 0 HB2 LEU 2 6 -9.138 0.501 -1.473 1.00 0.00 H new ATOM 0 HB3 LEU 2 6 -9.325 1.780 -0.289 1.00 0.00 H new ATOM 0 HG LEU 2 6 -10.925 -0.192 -0.144 1.00 0.00 H new ATOM 0 HD11 LEU 2 6 -12.834 1.219 0.499 1.00 0.00 H new ATOM 0 HD12 LEU 2 6 -11.287 1.873 1.090 1.00 0.00 H new ATOM 0 HD13 LEU 2 6 -12.080 2.605 -0.326 1.00 0.00 H new ATOM 0 HD21 LEU 2 6 -12.914 -0.127 -1.588 1.00 0.00 H new ATOM 0 HD22 LEU 2 6 -12.166 1.170 -2.551 1.00 0.00 H new ATOM 0 HD23 LEU 2 6 -11.426 -0.448 -2.509 1.00 0.00 H new ATOM 973 N SER 2 7 -10.850 2.505 -4.475 1.00 0.00 N ATOM 974 CA SER 2 7 -11.193 2.055 -5.813 1.00 0.00 C ATOM 975 C SER 2 7 -10.373 2.826 -6.851 1.00 0.00 C ATOM 976 O SER 2 7 -10.022 3.984 -6.633 1.00 0.00 O ATOM 977 CB SER 2 7 -12.688 2.227 -6.086 1.00 0.00 C ATOM 978 OG SER 2 7 -13.342 0.976 -6.284 1.00 0.00 O ATOM 0 H SER 2 7 -11.195 3.435 -4.236 1.00 0.00 H new ATOM 0 HA SER 2 7 -10.957 0.993 -5.887 1.00 0.00 H new ATOM 0 HB2 SER 2 7 -13.151 2.750 -5.249 1.00 0.00 H new ATOM 0 HB3 SER 2 7 -12.826 2.852 -6.968 1.00 0.00 H new ATOM 0 HG SER 2 7 -14.299 1.074 -6.095 1.00 0.00 H new ATOM 984 N ALA 2 8 -10.093 2.153 -7.957 1.00 0.00 N ATOM 985 CA ALA 2 8 -9.322 2.760 -9.027 1.00 0.00 C ATOM 986 C ALA 2 8 -10.064 3.991 -9.550 1.00 0.00 C ATOM 987 O ALA 2 8 -10.781 3.911 -10.546 1.00 0.00 O ATOM 988 CB ALA 2 8 -9.066 1.723 -10.124 1.00 0.00 C ATOM 0 H ALA 2 8 -10.387 1.193 -8.135 1.00 0.00 H new ATOM 0 HA ALA 2 8 -8.351 3.092 -8.659 1.00 0.00 H new ATOM 0 HB1 ALA 2 8 -8.487 2.179 -10.927 1.00 0.00 H new ATOM 0 HB2 ALA 2 8 -8.510 0.883 -9.708 1.00 0.00 H new ATOM 0 HB3 ALA 2 8 -10.018 1.368 -10.519 1.00 0.00 H new ATOM 994 N ASN 2 9 -9.867 5.101 -8.854 1.00 0.00 N ATOM 995 CA ASN 2 9 -10.508 6.348 -9.235 1.00 0.00 C ATOM 996 C ASN 2 9 -10.258 7.397 -8.152 1.00 0.00 C ATOM 997 O ASN 2 9 -10.187 8.590 -8.443 1.00 0.00 O ATOM 998 CB ASN 2 9 -12.021 6.167 -9.379 1.00 0.00 C ATOM 999 CG ASN 2 9 -12.511 6.699 -10.727 1.00 0.00 C ATOM 1000 OD1 ASN 2 9 -12.792 5.955 -11.653 1.00 0.00 O ATOM 1001 ND2 ASN 2 9 -12.599 8.024 -10.787 1.00 0.00 N ATOM 0 H ASN 2 9 -9.272 5.163 -8.028 1.00 0.00 H new ATOM 0 HA ASN 2 9 -10.090 6.664 -10.191 1.00 0.00 H new ATOM 0 HB2 ASN 2 9 -12.275 5.111 -9.287 1.00 0.00 H new ATOM 0 HB3 ASN 2 9 -12.532 6.690 -8.570 1.00 0.00 H new ATOM 0 HD21 ASN 2 9 -12.917 8.476 -11.644 1.00 0.00 H new ATOM 0 HD22 ASN 2 9 -12.348 8.589 -9.976 1.00 0.00 H new ATOM 1008 N GLN 2 10 -10.134 6.916 -6.924 1.00 0.00 N ATOM 1009 CA GLN 2 10 -9.893 7.798 -5.794 1.00 0.00 C ATOM 1010 C GLN 2 10 -8.588 8.573 -5.994 1.00 0.00 C ATOM 1011 O GLN 2 10 -8.465 9.713 -5.551 1.00 0.00 O ATOM 1012 CB GLN 2 10 -9.870 7.014 -4.481 1.00 0.00 C ATOM 1013 CG GLN 2 10 -10.657 7.745 -3.392 1.00 0.00 C ATOM 1014 CD GLN 2 10 -9.811 7.924 -2.130 1.00 0.00 C ATOM 1015 OE1 GLN 2 10 -9.097 6.852 -1.801 1.00 0.00 O flip ATOM 1016 NE2 GLN 2 10 -9.806 8.968 -1.498 1.00 0.00 N flip ATOM 0 H GLN 2 10 -10.196 5.926 -6.686 1.00 0.00 H new ATOM 0 HA GLN 2 10 -10.713 8.514 -5.736 1.00 0.00 H new ATOM 0 HB2 GLN 2 10 -10.295 6.022 -4.638 1.00 0.00 H new ATOM 0 HB3 GLN 2 10 -8.839 6.872 -4.156 1.00 0.00 H new ATOM 0 HG2 GLN 2 10 -10.976 8.720 -3.761 1.00 0.00 H new ATOM 0 HG3 GLN 2 10 -11.560 7.184 -3.152 1.00 0.00 H new ATOM 0 HE21 GLN 2 10 -10.379 9.754 -1.806 1.00 0.00 H new ATOM 0 HE22 GLN 2 10 -9.229 9.055 -0.661 1.00 0.00 H new ATOM 1025 N CYS 2 11 -7.647 7.921 -6.662 1.00 0.00 N ATOM 1026 CA CYS 2 11 -6.357 8.534 -6.925 1.00 0.00 C ATOM 1027 C CYS 2 11 -6.556 9.652 -7.950 1.00 0.00 C ATOM 1028 O CYS 2 11 -5.630 10.409 -8.235 1.00 0.00 O ATOM 1029 CB CYS 2 11 -5.327 7.504 -7.396 1.00 0.00 C ATOM 1030 SG CYS 2 11 -3.673 8.191 -7.772 1.00 0.00 S ATOM 0 H CYS 2 11 -7.753 6.975 -7.028 1.00 0.00 H new ATOM 0 HA CYS 2 11 -5.957 8.955 -6.003 1.00 0.00 H new ATOM 0 HB2 CYS 2 11 -5.221 6.739 -6.627 1.00 0.00 H new ATOM 0 HB3 CYS 2 11 -5.711 7.009 -8.288 1.00 0.00 H new ATOM 1035 N ALA 2 12 -7.770 9.720 -8.475 1.00 0.00 N ATOM 1036 CA ALA 2 12 -8.103 10.733 -9.462 1.00 0.00 C ATOM 1037 C ALA 2 12 -8.892 11.856 -8.787 1.00 0.00 C ATOM 1038 O ALA 2 12 -9.412 12.746 -9.460 1.00 0.00 O ATOM 1039 CB ALA 2 12 -8.876 10.088 -10.615 1.00 0.00 C ATOM 0 H ALA 2 12 -8.536 9.090 -8.236 1.00 0.00 H new ATOM 0 HA ALA 2 12 -7.198 11.172 -9.882 1.00 0.00 H new ATOM 0 HB1 ALA 2 12 -9.126 10.848 -11.356 1.00 0.00 H new ATOM 0 HB2 ALA 2 12 -8.261 9.317 -11.079 1.00 0.00 H new ATOM 0 HB3 ALA 2 12 -9.793 9.639 -10.232 1.00 0.00 H new ATOM 1045 N VAL 2 13 -8.958 11.779 -7.466 1.00 0.00 N ATOM 1046 CA VAL 2 13 -9.675 12.778 -6.693 1.00 0.00 C ATOM 1047 C VAL 2 13 -9.443 14.159 -7.311 1.00 0.00 C ATOM 1048 O VAL 2 13 -8.457 14.369 -8.017 1.00 0.00 O ATOM 1049 CB VAL 2 13 -9.256 12.703 -5.223 1.00 0.00 C ATOM 1050 CG1 VAL 2 13 -8.705 14.046 -4.741 1.00 0.00 C ATOM 1051 CG2 VAL 2 13 -10.421 12.241 -4.345 1.00 0.00 C ATOM 0 H VAL 2 13 -8.526 11.040 -6.911 1.00 0.00 H new ATOM 0 HA VAL 2 13 -10.747 12.585 -6.722 1.00 0.00 H new ATOM 0 HB VAL 2 13 -8.459 11.965 -5.138 1.00 0.00 H new ATOM 0 HG11 VAL 2 13 -8.415 13.965 -3.693 1.00 0.00 H new ATOM 0 HG12 VAL 2 13 -7.835 14.318 -5.339 1.00 0.00 H new ATOM 0 HG13 VAL 2 13 -9.472 14.813 -4.847 1.00 0.00 H new ATOM 0 HG21 VAL 2 13 -10.097 12.196 -3.305 1.00 0.00 H new ATOM 0 HG22 VAL 2 13 -11.248 12.945 -4.438 1.00 0.00 H new ATOM 0 HG23 VAL 2 13 -10.749 11.252 -4.666 1.00 0.00 H new ATOM 1061 N PRO 2 14 -10.390 15.089 -7.016 1.00 0.00 N ATOM 1062 CA PRO 2 14 -10.297 16.443 -7.534 1.00 0.00 C ATOM 1063 C PRO 2 14 -9.230 17.243 -6.787 1.00 0.00 C ATOM 1064 O PRO 2 14 -9.342 18.462 -6.656 1.00 0.00 O ATOM 1065 CB PRO 2 14 -11.695 17.021 -7.375 1.00 0.00 C ATOM 1066 CG PRO 2 14 -12.396 16.141 -6.354 1.00 0.00 C ATOM 1067 CD PRO 2 14 -11.571 14.875 -6.184 1.00 0.00 C ATOM 0 HA PRO 2 14 -9.984 16.475 -8.578 1.00 0.00 H new ATOM 0 HB2 PRO 2 14 -11.653 18.056 -7.036 1.00 0.00 H new ATOM 0 HB3 PRO 2 14 -12.229 17.018 -8.325 1.00 0.00 H new ATOM 0 HG2 PRO 2 14 -12.493 16.664 -5.402 1.00 0.00 H new ATOM 0 HG3 PRO 2 14 -13.404 15.897 -6.688 1.00 0.00 H new ATOM 0 HD2 PRO 2 14 -11.297 14.718 -5.141 1.00 0.00 H new ATOM 0 HD3 PRO 2 14 -12.127 13.994 -6.504 1.00 0.00 H new ATOM 1075 N ALA 2 15 -8.219 16.528 -6.318 1.00 0.00 N ATOM 1076 CA ALA 2 15 -7.131 17.157 -5.589 1.00 0.00 C ATOM 1077 C ALA 2 15 -7.710 18.038 -4.480 1.00 0.00 C ATOM 1078 O ALA 2 15 -7.567 19.259 -4.514 1.00 0.00 O ATOM 1079 CB ALA 2 15 -6.253 17.946 -6.561 1.00 0.00 C ATOM 0 H ALA 2 15 -8.130 15.518 -6.429 1.00 0.00 H new ATOM 0 HA ALA 2 15 -6.499 16.404 -5.118 1.00 0.00 H new ATOM 0 HB1 ALA 2 15 -5.437 18.418 -6.013 1.00 0.00 H new ATOM 0 HB2 ALA 2 15 -5.843 17.270 -7.312 1.00 0.00 H new ATOM 0 HB3 ALA 2 15 -6.852 18.713 -7.052 1.00 0.00 H new ATOM 1085 N LYS 2 16 -8.351 17.384 -3.522 1.00 0.00 N ATOM 1086 CA LYS 2 16 -8.951 18.093 -2.405 1.00 0.00 C ATOM 1087 C LYS 2 16 -9.875 17.142 -1.641 1.00 0.00 C ATOM 1088 O LYS 2 16 -10.948 17.541 -1.191 1.00 0.00 O ATOM 1089 CB LYS 2 16 -9.646 19.366 -2.890 1.00 0.00 C ATOM 1090 CG LYS 2 16 -10.305 19.148 -4.253 1.00 0.00 C ATOM 1091 CD LYS 2 16 -11.787 19.524 -4.214 1.00 0.00 C ATOM 1092 CE LYS 2 16 -12.100 20.627 -5.226 1.00 0.00 C ATOM 1093 NZ LYS 2 16 -13.559 20.731 -5.446 1.00 0.00 N ATOM 0 H LYS 2 16 -8.468 16.371 -3.497 1.00 0.00 H new ATOM 0 HA LYS 2 16 -8.182 18.423 -1.706 1.00 0.00 H new ATOM 0 HB2 LYS 2 16 -10.399 19.673 -2.164 1.00 0.00 H new ATOM 0 HB3 LYS 2 16 -8.921 20.177 -2.959 1.00 0.00 H new ATOM 0 HG2 LYS 2 16 -9.794 19.747 -5.007 1.00 0.00 H new ATOM 0 HG3 LYS 2 16 -10.199 18.104 -4.549 1.00 0.00 H new ATOM 0 HD2 LYS 2 16 -12.395 18.645 -4.429 1.00 0.00 H new ATOM 0 HD3 LYS 2 16 -12.055 19.859 -3.212 1.00 0.00 H new ATOM 0 HE2 LYS 2 16 -11.712 21.580 -4.866 1.00 0.00 H new ATOM 0 HE3 LYS 2 16 -11.598 20.415 -6.170 1.00 0.00 H new ATOM 0 HZ1 LYS 2 16 -13.753 21.485 -6.136 1.00 0.00 H new ATOM 0 HZ2 LYS 2 16 -13.920 19.827 -5.810 1.00 0.00 H new ATOM 0 HZ3 LYS 2 16 -14.031 20.955 -4.547 1.00 0.00 H new ATOM 1107 N ASP 2 17 -9.423 15.903 -1.517 1.00 0.00 N ATOM 1108 CA ASP 2 17 -10.196 14.892 -0.815 1.00 0.00 C ATOM 1109 C ASP 2 17 -9.264 13.763 -0.368 1.00 0.00 C ATOM 1110 O ASP 2 17 -9.724 12.692 0.026 1.00 0.00 O ATOM 1111 CB ASP 2 17 -11.268 14.287 -1.724 1.00 0.00 C ATOM 1112 CG ASP 2 17 -12.351 13.483 -1.002 1.00 0.00 C ATOM 1113 OD1 ASP 2 17 -12.099 12.285 -0.754 1.00 0.00 O ATOM 1114 OD2 ASP 2 17 -13.408 14.087 -0.714 1.00 0.00 O ATOM 0 H ASP 2 17 -8.532 15.576 -1.890 1.00 0.00 H new ATOM 0 HA ASP 2 17 -10.675 15.368 0.040 1.00 0.00 H new ATOM 0 HB2 ASP 2 17 -11.746 15.092 -2.282 1.00 0.00 H new ATOM 0 HB3 ASP 2 17 -10.781 13.639 -2.453 1.00 0.00 H new ATOM 1119 N ARG 2 18 -7.971 14.042 -0.443 1.00 0.00 N ATOM 1120 CA ARG 2 18 -6.970 13.064 -0.051 1.00 0.00 C ATOM 1121 C ARG 2 18 -6.609 13.238 1.426 1.00 0.00 C ATOM 1122 O ARG 2 18 -7.166 14.096 2.108 1.00 0.00 O ATOM 1123 CB ARG 2 18 -5.704 13.201 -0.898 1.00 0.00 C ATOM 1124 CG ARG 2 18 -6.046 13.263 -2.388 1.00 0.00 C ATOM 1125 CD ARG 2 18 -5.131 14.246 -3.121 1.00 0.00 C ATOM 1126 NE ARG 2 18 -5.220 14.029 -4.582 1.00 0.00 N ATOM 1127 CZ ARG 2 18 -4.351 14.530 -5.471 1.00 0.00 C ATOM 1128 NH1 ARG 2 18 -3.323 15.279 -5.053 1.00 0.00 N ATOM 1129 NH2 ARG 2 18 -4.512 14.281 -6.778 1.00 0.00 N ATOM 0 H ARG 2 18 -7.593 14.931 -0.769 1.00 0.00 H new ATOM 0 HA ARG 2 18 -7.394 12.073 -0.211 1.00 0.00 H new ATOM 0 HB2 ARG 2 18 -5.163 14.102 -0.607 1.00 0.00 H new ATOM 0 HB3 ARG 2 18 -5.042 12.356 -0.708 1.00 0.00 H new ATOM 0 HG2 ARG 2 18 -5.947 12.271 -2.829 1.00 0.00 H new ATOM 0 HG3 ARG 2 18 -7.086 13.566 -2.514 1.00 0.00 H new ATOM 0 HD2 ARG 2 18 -5.416 15.270 -2.879 1.00 0.00 H new ATOM 0 HD3 ARG 2 18 -4.102 14.115 -2.788 1.00 0.00 H new ATOM 0 HE ARG 2 18 -5.991 13.462 -4.935 1.00 0.00 H new ATOM 0 HH11 ARG 2 18 -3.201 15.468 -4.058 1.00 0.00 H new ATOM 0 HH12 ARG 2 18 -2.662 15.660 -5.729 1.00 0.00 H new ATOM 0 HH21 ARG 2 18 -5.296 13.710 -7.096 1.00 0.00 H new ATOM 0 HH22 ARG 2 18 -3.851 14.662 -7.455 1.00 0.00 H new ATOM 1143 N VAL 2 19 -5.680 12.409 1.876 1.00 0.00 N ATOM 1144 CA VAL 2 19 -5.237 12.459 3.258 1.00 0.00 C ATOM 1145 C VAL 2 19 -3.795 12.967 3.310 1.00 0.00 C ATOM 1146 O VAL 2 19 -3.095 12.761 4.300 1.00 0.00 O ATOM 1147 CB VAL 2 19 -5.411 11.088 3.915 1.00 0.00 C ATOM 1148 CG1 VAL 2 19 -5.401 11.204 5.440 1.00 0.00 C ATOM 1149 CG2 VAL 2 19 -6.689 10.405 3.425 1.00 0.00 C ATOM 0 H VAL 2 19 -5.221 11.698 1.307 1.00 0.00 H new ATOM 0 HA VAL 2 19 -5.849 13.158 3.828 1.00 0.00 H new ATOM 0 HB VAL 2 19 -4.565 10.466 3.622 1.00 0.00 H new ATOM 0 HG11 VAL 2 19 -5.526 10.215 5.881 1.00 0.00 H new ATOM 0 HG12 VAL 2 19 -4.452 11.629 5.766 1.00 0.00 H new ATOM 0 HG13 VAL 2 19 -6.218 11.851 5.761 1.00 0.00 H new ATOM 0 HG21 VAL 2 19 -6.789 9.432 3.907 1.00 0.00 H new ATOM 0 HG22 VAL 2 19 -7.551 11.024 3.674 1.00 0.00 H new ATOM 0 HG23 VAL 2 19 -6.639 10.271 2.344 1.00 0.00 H new ATOM 1159 N ASP 2 20 -3.394 13.623 2.231 1.00 0.00 N ATOM 1160 CA ASP 2 20 -2.047 14.163 2.140 1.00 0.00 C ATOM 1161 C ASP 2 20 -1.085 13.251 2.904 1.00 0.00 C ATOM 1162 O ASP 2 20 -0.822 13.469 4.085 1.00 0.00 O ATOM 1163 CB ASP 2 20 -1.971 15.558 2.763 1.00 0.00 C ATOM 1164 CG ASP 2 20 -0.594 15.951 3.301 1.00 0.00 C ATOM 1165 OD1 ASP 2 20 0.394 15.690 2.580 1.00 0.00 O ATOM 1166 OD2 ASP 2 20 -0.558 16.502 4.422 1.00 0.00 O ATOM 0 H ASP 2 20 -3.978 13.793 1.412 1.00 0.00 H new ATOM 0 HA ASP 2 20 -1.777 14.223 1.086 1.00 0.00 H new ATOM 0 HB2 ASP 2 20 -2.275 16.291 2.015 1.00 0.00 H new ATOM 0 HB3 ASP 2 20 -2.693 15.616 3.578 1.00 0.00 H new ATOM 1171 N CYS 2 21 -0.584 12.248 2.197 1.00 0.00 N ATOM 1172 CA CYS 2 21 0.344 11.302 2.792 1.00 0.00 C ATOM 1173 C CYS 2 21 1.473 12.091 3.457 1.00 0.00 C ATOM 1174 O CYS 2 21 2.011 11.670 4.480 1.00 0.00 O ATOM 1175 CB CYS 2 21 0.875 10.305 1.760 1.00 0.00 C ATOM 1176 SG CYS 2 21 0.915 8.564 2.325 1.00 0.00 S ATOM 0 H CYS 2 21 -0.804 12.070 1.217 1.00 0.00 H new ATOM 0 HA CYS 2 21 -0.173 10.705 3.544 1.00 0.00 H new ATOM 0 HB2 CYS 2 21 0.258 10.367 0.864 1.00 0.00 H new ATOM 0 HB3 CYS 2 21 1.884 10.603 1.473 1.00 0.00 H new ATOM 1181 N GLY 2 22 1.799 13.222 2.850 1.00 0.00 N ATOM 1182 CA GLY 2 22 2.855 14.075 3.371 1.00 0.00 C ATOM 1183 C GLY 2 22 4.038 13.240 3.866 1.00 0.00 C ATOM 1184 O GLY 2 22 4.376 13.275 5.048 1.00 0.00 O ATOM 0 H GLY 2 22 1.351 13.568 2.002 1.00 0.00 H new ATOM 0 HA2 GLY 2 22 3.190 14.762 2.594 1.00 0.00 H new ATOM 0 HA3 GLY 2 22 2.467 14.683 4.188 1.00 0.00 H new ATOM 1188 N TYR 2 23 4.636 12.510 2.935 1.00 0.00 N ATOM 1189 CA TYR 2 23 5.775 11.668 3.262 1.00 0.00 C ATOM 1190 C TYR 2 23 7.089 12.430 3.080 1.00 0.00 C ATOM 1191 O TYR 2 23 7.193 13.298 2.215 1.00 0.00 O ATOM 1192 CB TYR 2 23 5.735 10.502 2.272 1.00 0.00 C ATOM 1193 CG TYR 2 23 5.360 9.161 2.907 1.00 0.00 C ATOM 1194 CD1 TYR 2 23 4.036 8.791 3.008 1.00 0.00 C ATOM 1195 CD2 TYR 2 23 6.350 8.321 3.378 1.00 0.00 C ATOM 1196 CE1 TYR 2 23 3.684 7.529 3.605 1.00 0.00 C ATOM 1197 CE2 TYR 2 23 5.998 7.058 3.975 1.00 0.00 C ATOM 1198 CZ TYR 2 23 4.682 6.725 4.059 1.00 0.00 C ATOM 1199 OH TYR 2 23 4.350 5.533 4.623 1.00 0.00 O ATOM 0 H TYR 2 23 4.353 12.484 1.955 1.00 0.00 H new ATOM 0 HA TYR 2 23 5.723 11.338 4.300 1.00 0.00 H new ATOM 0 HB2 TYR 2 23 5.019 10.732 1.483 1.00 0.00 H new ATOM 0 HB3 TYR 2 23 6.712 10.408 1.798 1.00 0.00 H new ATOM 0 HD1 TYR 2 23 3.262 9.448 2.639 1.00 0.00 H new ATOM 0 HD2 TYR 2 23 7.387 8.611 3.299 1.00 0.00 H new ATOM 0 HE1 TYR 2 23 2.650 7.228 3.690 1.00 0.00 H new ATOM 0 HE2 TYR 2 23 6.762 6.391 4.347 1.00 0.00 H new ATOM 0 HH TYR 2 23 5.165 5.064 4.900 1.00 0.00 H new ATOM 1209 N PRO 2 24 8.085 12.068 3.932 1.00 0.00 N ATOM 1210 CA PRO 2 24 9.389 12.708 3.874 1.00 0.00 C ATOM 1211 C PRO 2 24 10.191 12.210 2.670 1.00 0.00 C ATOM 1212 O PRO 2 24 11.278 12.714 2.392 1.00 0.00 O ATOM 1213 CB PRO 2 24 10.049 12.379 5.204 1.00 0.00 C ATOM 1214 CG PRO 2 24 9.286 11.188 5.763 1.00 0.00 C ATOM 1215 CD PRO 2 24 7.999 11.044 4.969 1.00 0.00 C ATOM 0 HA PRO 2 24 9.322 13.787 3.734 1.00 0.00 H new ATOM 0 HB2 PRO 2 24 11.103 12.139 5.068 1.00 0.00 H new ATOM 0 HB3 PRO 2 24 10.001 13.229 5.885 1.00 0.00 H new ATOM 0 HG2 PRO 2 24 9.885 10.281 5.686 1.00 0.00 H new ATOM 0 HG3 PRO 2 24 9.067 11.337 6.820 1.00 0.00 H new ATOM 0 HD2 PRO 2 24 7.911 10.048 4.535 1.00 0.00 H new ATOM 0 HD3 PRO 2 24 7.125 11.194 5.602 1.00 0.00 H new ATOM 1223 N HIS 2 25 9.623 11.227 1.987 1.00 0.00 N ATOM 1224 CA HIS 2 25 10.272 10.655 0.819 1.00 0.00 C ATOM 1225 C HIS 2 25 9.322 10.719 -0.379 1.00 0.00 C ATOM 1226 O HIS 2 25 9.540 10.048 -1.386 1.00 0.00 O ATOM 1227 CB HIS 2 25 10.763 9.235 1.110 1.00 0.00 C ATOM 1228 CG HIS 2 25 12.245 9.042 0.894 1.00 0.00 C ATOM 1229 ND1 HIS 2 25 12.844 9.162 -0.349 1.00 0.00 N ATOM 1230 CD2 HIS 2 25 13.242 8.737 1.774 1.00 0.00 C ATOM 1231 CE1 HIS 2 25 14.142 8.936 -0.211 1.00 0.00 C ATOM 1232 NE2 HIS 2 25 14.386 8.673 1.104 1.00 0.00 N ATOM 0 H HIS 2 25 8.721 10.812 2.220 1.00 0.00 H new ATOM 0 HA HIS 2 25 11.158 11.239 0.569 1.00 0.00 H new ATOM 0 HB2 HIS 2 25 10.521 8.982 2.142 1.00 0.00 H new ATOM 0 HB3 HIS 2 25 10.219 8.536 0.474 1.00 0.00 H new ATOM 0 HD1 HIS 2 25 12.367 9.386 -1.222 1.00 0.00 H new ATOM 0 HD2 HIS 2 25 13.121 8.575 2.835 1.00 0.00 H new ATOM 0 HE1 HIS 2 25 14.878 8.957 -1.001 1.00 0.00 H new ATOM 1241 N VAL 2 26 8.286 11.533 -0.229 1.00 0.00 N ATOM 1242 CA VAL 2 26 7.302 11.694 -1.285 1.00 0.00 C ATOM 1243 C VAL 2 26 8.019 11.799 -2.632 1.00 0.00 C ATOM 1244 O VAL 2 26 8.843 12.691 -2.834 1.00 0.00 O ATOM 1245 CB VAL 2 26 6.408 12.899 -0.988 1.00 0.00 C ATOM 1246 CG1 VAL 2 26 7.237 14.090 -0.502 1.00 0.00 C ATOM 1247 CG2 VAL 2 26 5.571 13.276 -2.213 1.00 0.00 C ATOM 0 H VAL 2 26 8.108 12.088 0.608 1.00 0.00 H new ATOM 0 HA VAL 2 26 6.647 10.824 -1.332 1.00 0.00 H new ATOM 0 HB VAL 2 26 5.723 12.619 -0.188 1.00 0.00 H new ATOM 0 HG11 VAL 2 26 6.577 14.933 -0.298 1.00 0.00 H new ATOM 0 HG12 VAL 2 26 7.768 13.816 0.410 1.00 0.00 H new ATOM 0 HG13 VAL 2 26 7.957 14.370 -1.271 1.00 0.00 H new ATOM 0 HG21 VAL 2 26 4.944 14.136 -1.975 1.00 0.00 H new ATOM 0 HG22 VAL 2 26 6.232 13.528 -3.042 1.00 0.00 H new ATOM 0 HG23 VAL 2 26 4.939 12.434 -2.495 1.00 0.00 H new ATOM 1257 N THR 2 27 7.680 10.877 -3.521 1.00 0.00 N ATOM 1258 CA THR 2 27 8.281 10.854 -4.844 1.00 0.00 C ATOM 1259 C THR 2 27 7.459 9.976 -5.788 1.00 0.00 C ATOM 1260 O THR 2 27 6.703 9.115 -5.341 1.00 0.00 O ATOM 1261 CB THR 2 27 9.733 10.394 -4.696 1.00 0.00 C ATOM 1262 OG1 THR 2 27 10.494 11.472 -5.233 1.00 0.00 O ATOM 1263 CG2 THR 2 27 10.068 9.211 -5.606 1.00 0.00 C ATOM 0 H THR 2 27 6.996 10.140 -3.351 1.00 0.00 H new ATOM 0 HA THR 2 27 8.284 11.847 -5.294 1.00 0.00 H new ATOM 0 HB THR 2 27 9.923 10.118 -3.659 1.00 0.00 H new ATOM 0 HG1 THR 2 27 11.449 11.259 -5.175 1.00 0.00 H new ATOM 0 HG21 THR 2 27 11.110 8.925 -5.462 1.00 0.00 H new ATOM 0 HG22 THR 2 27 9.422 8.368 -5.360 1.00 0.00 H new ATOM 0 HG23 THR 2 27 9.911 9.496 -6.646 1.00 0.00 H new ATOM 1271 N PRO 2 28 7.638 10.230 -7.113 1.00 0.00 N ATOM 1272 CA PRO 2 28 6.922 9.473 -8.125 1.00 0.00 C ATOM 1273 C PRO 2 28 7.512 8.069 -8.279 1.00 0.00 C ATOM 1274 O PRO 2 28 7.771 7.621 -9.394 1.00 0.00 O ATOM 1275 CB PRO 2 28 7.032 10.306 -9.391 1.00 0.00 C ATOM 1276 CG PRO 2 28 8.191 11.263 -9.161 1.00 0.00 C ATOM 1277 CD PRO 2 28 8.524 11.243 -7.679 1.00 0.00 C ATOM 0 HA PRO 2 28 5.877 9.306 -7.864 1.00 0.00 H new ATOM 0 HB2 PRO 2 28 7.214 9.674 -10.260 1.00 0.00 H new ATOM 0 HB3 PRO 2 28 6.107 10.851 -9.582 1.00 0.00 H new ATOM 0 HG2 PRO 2 28 9.057 10.963 -9.751 1.00 0.00 H new ATOM 0 HG3 PRO 2 28 7.923 12.271 -9.479 1.00 0.00 H new ATOM 0 HD2 PRO 2 28 9.571 10.991 -7.512 1.00 0.00 H new ATOM 0 HD3 PRO 2 28 8.354 12.218 -7.222 1.00 0.00 H new ATOM 1285 N LYS 2 29 7.707 7.416 -7.143 1.00 0.00 N ATOM 1286 CA LYS 2 29 8.263 6.074 -7.139 1.00 0.00 C ATOM 1287 C LYS 2 29 8.370 5.576 -5.695 1.00 0.00 C ATOM 1288 O LYS 2 29 8.414 4.372 -5.452 1.00 0.00 O ATOM 1289 CB LYS 2 29 9.589 6.040 -7.901 1.00 0.00 C ATOM 1290 CG LYS 2 29 9.721 4.748 -8.712 1.00 0.00 C ATOM 1291 CD LYS 2 29 10.156 5.045 -10.148 1.00 0.00 C ATOM 1292 CE LYS 2 29 10.659 3.778 -10.843 1.00 0.00 C ATOM 1293 NZ LYS 2 29 9.520 2.961 -11.320 1.00 0.00 N ATOM 0 H LYS 2 29 7.490 7.791 -6.220 1.00 0.00 H new ATOM 0 HA LYS 2 29 7.602 5.386 -7.667 1.00 0.00 H new ATOM 0 HB2 LYS 2 29 9.652 6.900 -8.567 1.00 0.00 H new ATOM 0 HB3 LYS 2 29 10.419 6.119 -7.199 1.00 0.00 H new ATOM 0 HG2 LYS 2 29 10.448 4.089 -8.237 1.00 0.00 H new ATOM 0 HG3 LYS 2 29 8.768 4.220 -8.719 1.00 0.00 H new ATOM 0 HD2 LYS 2 29 9.318 5.462 -10.707 1.00 0.00 H new ATOM 0 HD3 LYS 2 29 10.943 5.799 -10.145 1.00 0.00 H new ATOM 0 HE2 LYS 2 29 11.299 4.047 -11.684 1.00 0.00 H new ATOM 0 HE3 LYS 2 29 11.268 3.195 -10.153 1.00 0.00 H new ATOM 0 HZ1 LYS 2 29 9.879 2.105 -11.789 1.00 0.00 H new ATOM 0 HZ2 LYS 2 29 8.925 2.689 -10.511 1.00 0.00 H new ATOM 0 HZ3 LYS 2 29 8.955 3.514 -11.995 1.00 0.00 H new ATOM 1307 N GLU 2 30 8.410 6.530 -4.775 1.00 0.00 N ATOM 1308 CA GLU 2 30 8.511 6.203 -3.363 1.00 0.00 C ATOM 1309 C GLU 2 30 7.119 6.137 -2.733 1.00 0.00 C ATOM 1310 O GLU 2 30 6.828 5.229 -1.955 1.00 0.00 O ATOM 1311 CB GLU 2 30 9.398 7.211 -2.630 1.00 0.00 C ATOM 1312 CG GLU 2 30 10.764 6.604 -2.304 1.00 0.00 C ATOM 1313 CD GLU 2 30 11.843 7.144 -3.246 1.00 0.00 C ATOM 1314 OE1 GLU 2 30 12.084 8.369 -3.189 1.00 0.00 O ATOM 1315 OE2 GLU 2 30 12.402 6.319 -4.000 1.00 0.00 O ATOM 0 H GLU 2 30 8.374 7.528 -4.980 1.00 0.00 H new ATOM 0 HA GLU 2 30 8.977 5.222 -3.269 1.00 0.00 H new ATOM 0 HB2 GLU 2 30 9.529 8.101 -3.246 1.00 0.00 H new ATOM 0 HB3 GLU 2 30 8.909 7.530 -1.710 1.00 0.00 H new ATOM 0 HG2 GLU 2 30 11.030 6.832 -1.272 1.00 0.00 H new ATOM 0 HG3 GLU 2 30 10.713 5.518 -2.388 1.00 0.00 H new ATOM 1322 N CYS 2 31 6.295 7.111 -3.091 1.00 0.00 N ATOM 1323 CA CYS 2 31 4.940 7.175 -2.569 1.00 0.00 C ATOM 1324 C CYS 2 31 4.244 5.848 -2.877 1.00 0.00 C ATOM 1325 O CYS 2 31 3.772 5.165 -1.969 1.00 0.00 O ATOM 1326 CB CYS 2 31 4.170 8.368 -3.138 1.00 0.00 C ATOM 1327 SG CYS 2 31 4.642 9.991 -2.436 1.00 0.00 S ATOM 0 H CYS 2 31 6.539 7.862 -3.736 1.00 0.00 H new ATOM 0 HA CYS 2 31 4.970 7.327 -1.490 1.00 0.00 H new ATOM 0 HB2 CYS 2 31 4.319 8.397 -4.217 1.00 0.00 H new ATOM 0 HB3 CYS 2 31 3.105 8.210 -2.968 1.00 0.00 H new ATOM 1332 N ASN 2 32 4.202 5.522 -4.161 1.00 0.00 N ATOM 1333 CA ASN 2 32 3.571 4.289 -4.600 1.00 0.00 C ATOM 1334 C ASN 2 32 4.282 3.100 -3.953 1.00 0.00 C ATOM 1335 O ASN 2 32 3.763 1.984 -3.955 1.00 0.00 O ATOM 1336 CB ASN 2 32 3.668 4.130 -6.118 1.00 0.00 C ATOM 1337 CG ASN 2 32 2.442 4.726 -6.811 1.00 0.00 C ATOM 1338 OD1 ASN 2 32 2.067 5.908 -6.327 1.00 0.00 O flip ATOM 1339 ND2 ASN 2 32 1.873 4.153 -7.726 1.00 0.00 N flip ATOM 0 H ASN 2 32 4.595 6.091 -4.911 1.00 0.00 H new ATOM 0 HA ASN 2 32 2.521 4.325 -4.309 1.00 0.00 H new ATOM 0 HB2 ASN 2 32 4.570 4.621 -6.482 1.00 0.00 H new ATOM 0 HB3 ASN 2 32 3.756 3.074 -6.372 1.00 0.00 H new ATOM 0 HD21 ASN 2 32 2.212 3.247 -8.050 1.00 0.00 H new ATOM 0 HD22 ASN 2 32 1.058 4.580 -8.167 1.00 0.00 H new ATOM 1346 N ASN 2 33 5.461 3.377 -3.416 1.00 0.00 N ATOM 1347 CA ASN 2 33 6.250 2.343 -2.767 1.00 0.00 C ATOM 1348 C ASN 2 33 5.796 2.197 -1.313 1.00 0.00 C ATOM 1349 O ASN 2 33 5.768 1.091 -0.775 1.00 0.00 O ATOM 1350 CB ASN 2 33 7.737 2.704 -2.764 1.00 0.00 C ATOM 1351 CG ASN 2 33 8.602 1.471 -3.030 1.00 0.00 C ATOM 1352 OD1 ASN 2 33 8.143 0.453 -3.521 1.00 0.00 O ATOM 1353 ND2 ASN 2 33 9.876 1.619 -2.682 1.00 0.00 N ATOM 0 H ASN 2 33 5.889 4.303 -3.417 1.00 0.00 H new ATOM 0 HA ASN 2 33 6.106 1.414 -3.318 1.00 0.00 H new ATOM 0 HB2 ASN 2 33 7.933 3.460 -3.524 1.00 0.00 H new ATOM 0 HB3 ASN 2 33 8.007 3.141 -1.803 1.00 0.00 H new ATOM 0 HD21 ASN 2 33 10.535 0.853 -2.821 1.00 0.00 H new ATOM 0 HD22 ASN 2 33 10.195 2.499 -2.276 1.00 0.00 H new ATOM 1360 N ARG 2 34 5.451 3.330 -0.718 1.00 0.00 N ATOM 1361 CA ARG 2 34 4.999 3.343 0.662 1.00 0.00 C ATOM 1362 C ARG 2 34 3.525 2.943 0.742 1.00 0.00 C ATOM 1363 O ARG 2 34 3.064 2.461 1.776 1.00 0.00 O ATOM 1364 CB ARG 2 34 5.181 4.726 1.289 1.00 0.00 C ATOM 1365 CG ARG 2 34 6.499 5.362 0.841 1.00 0.00 C ATOM 1366 CD ARG 2 34 7.437 5.574 2.033 1.00 0.00 C ATOM 1367 NE ARG 2 34 8.773 5.014 1.729 1.00 0.00 N ATOM 1368 CZ ARG 2 34 9.755 4.885 2.631 1.00 0.00 C ATOM 1369 NH1 ARG 2 34 9.557 5.273 3.898 1.00 0.00 N ATOM 1370 NH2 ARG 2 34 10.936 4.366 2.266 1.00 0.00 N ATOM 0 H ARG 2 34 5.476 4.245 -1.167 1.00 0.00 H new ATOM 0 HA ARG 2 34 5.604 2.624 1.215 1.00 0.00 H new ATOM 0 HB2 ARG 2 34 4.348 5.370 1.007 1.00 0.00 H new ATOM 0 HB3 ARG 2 34 5.165 4.642 2.376 1.00 0.00 H new ATOM 0 HG2 ARG 2 34 6.983 4.724 0.102 1.00 0.00 H new ATOM 0 HG3 ARG 2 34 6.300 6.317 0.356 1.00 0.00 H new ATOM 0 HD2 ARG 2 34 7.521 6.638 2.256 1.00 0.00 H new ATOM 0 HD3 ARG 2 34 7.025 5.094 2.921 1.00 0.00 H new ATOM 0 HE ARG 2 34 8.957 4.707 0.774 1.00 0.00 H new ATOM 0 HH11 ARG 2 34 8.658 5.667 4.176 1.00 0.00 H new ATOM 0 HH12 ARG 2 34 10.305 5.175 4.584 1.00 0.00 H new ATOM 0 HH21 ARG 2 34 11.087 4.070 1.302 1.00 0.00 H new ATOM 0 HH22 ARG 2 34 11.684 4.268 2.953 1.00 0.00 H new ATOM 1384 N GLY 2 35 2.825 3.159 -0.362 1.00 0.00 N ATOM 1385 CA GLY 2 35 1.413 2.827 -0.430 1.00 0.00 C ATOM 1386 C GLY 2 35 0.567 4.080 -0.668 1.00 0.00 C ATOM 1387 O GLY 2 35 -0.637 4.078 -0.412 1.00 0.00 O ATOM 0 H GLY 2 35 3.210 3.560 -1.217 1.00 0.00 H new ATOM 0 HA2 GLY 2 35 1.242 2.110 -1.233 1.00 0.00 H new ATOM 0 HA3 GLY 2 35 1.104 2.346 0.498 1.00 0.00 H new ATOM 1391 N CYS 2 36 1.229 5.119 -1.155 1.00 0.00 N ATOM 1392 CA CYS 2 36 0.553 6.376 -1.430 1.00 0.00 C ATOM 1393 C CYS 2 36 0.429 6.531 -2.947 1.00 0.00 C ATOM 1394 O CYS 2 36 0.895 5.681 -3.703 1.00 0.00 O ATOM 1395 CB CYS 2 36 1.279 7.561 -0.791 1.00 0.00 C ATOM 1396 SG CYS 2 36 1.587 7.393 1.005 1.00 0.00 S ATOM 0 H CYS 2 36 2.227 5.116 -1.366 1.00 0.00 H new ATOM 0 HA CYS 2 36 -0.442 6.363 -0.984 1.00 0.00 H new ATOM 0 HB2 CYS 2 36 2.234 7.700 -1.298 1.00 0.00 H new ATOM 0 HB3 CYS 2 36 0.693 8.464 -0.962 1.00 0.00 H new ATOM 1401 N CYS 2 37 -0.202 7.625 -3.347 1.00 0.00 N ATOM 1402 CA CYS 2 37 -0.393 7.905 -4.760 1.00 0.00 C ATOM 1403 C CYS 2 37 0.189 9.288 -5.059 1.00 0.00 C ATOM 1404 O CYS 2 37 -0.179 10.272 -4.419 1.00 0.00 O ATOM 1405 CB CYS 2 37 -1.867 7.806 -5.162 1.00 0.00 C ATOM 1406 SG CYS 2 37 -2.156 7.466 -6.937 1.00 0.00 S ATOM 0 H CYS 2 37 -0.588 8.328 -2.717 1.00 0.00 H new ATOM 0 HA CYS 2 37 0.129 7.156 -5.356 1.00 0.00 H new ATOM 0 HB2 CYS 2 37 -2.337 7.018 -4.574 1.00 0.00 H new ATOM 0 HB3 CYS 2 37 -2.364 8.740 -4.899 1.00 0.00 H new ATOM 1411 N PHE 2 38 1.088 9.319 -6.032 1.00 0.00 N ATOM 1412 CA PHE 2 38 1.724 10.564 -6.425 1.00 0.00 C ATOM 1413 C PHE 2 38 0.910 11.279 -7.506 1.00 0.00 C ATOM 1414 O PHE 2 38 0.651 10.715 -8.568 1.00 0.00 O ATOM 1415 CB PHE 2 38 3.099 10.206 -6.991 1.00 0.00 C ATOM 1416 CG PHE 2 38 4.008 11.413 -7.231 1.00 0.00 C ATOM 1417 CD1 PHE 2 38 4.647 12.001 -6.184 1.00 0.00 C ATOM 1418 CD2 PHE 2 38 4.176 11.898 -8.490 1.00 0.00 C ATOM 1419 CE1 PHE 2 38 5.490 13.122 -6.406 1.00 0.00 C ATOM 1420 CE2 PHE 2 38 5.020 13.019 -8.712 1.00 0.00 C ATOM 1421 CZ PHE 2 38 5.659 13.607 -7.665 1.00 0.00 C ATOM 0 H PHE 2 38 1.391 8.501 -6.560 1.00 0.00 H new ATOM 0 HA PHE 2 38 1.800 11.230 -5.565 1.00 0.00 H new ATOM 0 HB2 PHE 2 38 3.596 9.521 -6.304 1.00 0.00 H new ATOM 0 HB3 PHE 2 38 2.965 9.672 -7.932 1.00 0.00 H new ATOM 0 HD1 PHE 2 38 4.513 11.615 -5.184 1.00 0.00 H new ATOM 0 HD2 PHE 2 38 3.668 11.431 -9.321 1.00 0.00 H new ATOM 0 HE1 PHE 2 38 5.997 13.589 -5.575 1.00 0.00 H new ATOM 0 HE2 PHE 2 38 5.154 13.404 -9.712 1.00 0.00 H new ATOM 0 HZ PHE 2 38 6.301 14.459 -7.834 1.00 0.00 H new ATOM 1431 N ASP 2 39 0.529 12.510 -7.198 1.00 0.00 N ATOM 1432 CA ASP 2 39 -0.249 13.309 -8.130 1.00 0.00 C ATOM 1433 C ASP 2 39 0.698 14.053 -9.073 1.00 0.00 C ATOM 1434 O ASP 2 39 0.947 13.604 -10.190 1.00 0.00 O ATOM 1435 CB ASP 2 39 -1.096 14.348 -7.393 1.00 0.00 C ATOM 1436 CG ASP 2 39 -1.248 15.687 -8.115 1.00 0.00 C ATOM 1437 OD1 ASP 2 39 -1.995 15.710 -9.117 1.00 0.00 O ATOM 1438 OD2 ASP 2 39 -0.616 16.659 -7.648 1.00 0.00 O ATOM 0 H ASP 2 39 0.745 12.974 -6.316 1.00 0.00 H new ATOM 0 HA ASP 2 39 -0.905 12.637 -8.683 1.00 0.00 H new ATOM 0 HB2 ASP 2 39 -2.088 13.930 -7.221 1.00 0.00 H new ATOM 0 HB3 ASP 2 39 -0.652 14.528 -6.414 1.00 0.00 H new ATOM 1443 N SER 2 40 1.202 15.179 -8.586 1.00 0.00 N ATOM 1444 CA SER 2 40 2.116 15.990 -9.372 1.00 0.00 C ATOM 1445 C SER 2 40 1.328 16.915 -10.301 1.00 0.00 C ATOM 1446 O SER 2 40 1.836 17.953 -10.726 1.00 0.00 O ATOM 1447 CB SER 2 40 3.073 15.113 -10.182 1.00 0.00 C ATOM 1448 OG SER 2 40 4.410 15.605 -10.143 1.00 0.00 O ATOM 0 H SER 2 40 0.994 15.548 -7.658 1.00 0.00 H new ATOM 0 HA SER 2 40 2.712 16.595 -8.688 1.00 0.00 H new ATOM 0 HB2 SER 2 40 3.050 14.095 -9.793 1.00 0.00 H new ATOM 0 HB3 SER 2 40 2.734 15.066 -11.217 1.00 0.00 H new ATOM 0 HG SER 2 40 4.896 15.174 -9.409 1.00 0.00 H new ATOM 1454 N ARG 2 41 0.102 16.506 -10.591 1.00 0.00 N ATOM 1455 CA ARG 2 41 -0.760 17.287 -11.462 1.00 0.00 C ATOM 1456 C ARG 2 41 -1.051 18.652 -10.837 1.00 0.00 C ATOM 1457 O ARG 2 41 -1.052 19.669 -11.530 1.00 0.00 O ATOM 1458 CB ARG 2 41 -2.082 16.561 -11.722 1.00 0.00 C ATOM 1459 CG ARG 2 41 -1.856 15.058 -11.901 1.00 0.00 C ATOM 1460 CD ARG 2 41 -2.776 14.490 -12.984 1.00 0.00 C ATOM 1461 NE ARG 2 41 -2.238 14.811 -14.324 1.00 0.00 N ATOM 1462 CZ ARG 2 41 -2.943 14.718 -15.459 1.00 0.00 C ATOM 1463 NH1 ARG 2 41 -4.219 14.312 -15.423 1.00 0.00 N ATOM 1464 NH2 ARG 2 41 -2.372 15.030 -16.631 1.00 0.00 N ATOM 0 H ARG 2 41 -0.315 15.644 -10.239 1.00 0.00 H new ATOM 0 HA ARG 2 41 -0.239 17.422 -12.410 1.00 0.00 H new ATOM 0 HB2 ARG 2 41 -2.765 16.733 -10.890 1.00 0.00 H new ATOM 0 HB3 ARG 2 41 -2.556 16.970 -12.614 1.00 0.00 H new ATOM 0 HG2 ARG 2 41 -0.816 14.872 -12.169 1.00 0.00 H new ATOM 0 HG3 ARG 2 41 -2.039 14.544 -10.957 1.00 0.00 H new ATOM 0 HD2 ARG 2 41 -2.865 13.410 -12.868 1.00 0.00 H new ATOM 0 HD3 ARG 2 41 -3.778 14.905 -12.876 1.00 0.00 H new ATOM 0 HE ARG 2 41 -1.269 15.123 -14.388 1.00 0.00 H new ATOM 0 HH11 ARG 2 41 -4.653 14.074 -14.531 1.00 0.00 H new ATOM 0 HH12 ARG 2 41 -4.756 14.241 -16.287 1.00 0.00 H new ATOM 0 HH21 ARG 2 41 -1.400 15.338 -16.659 1.00 0.00 H new ATOM 0 HH22 ARG 2 41 -2.909 14.959 -17.495 1.00 0.00 H new ATOM 1478 N ILE 2 42 -1.291 18.633 -9.535 1.00 0.00 N ATOM 1479 CA ILE 2 42 -1.583 19.857 -8.808 1.00 0.00 C ATOM 1480 C ILE 2 42 -0.566 20.030 -7.678 1.00 0.00 C ATOM 1481 O ILE 2 42 -0.615 19.312 -6.680 1.00 0.00 O ATOM 1482 CB ILE 2 42 -3.037 19.865 -8.333 1.00 0.00 C ATOM 1483 CG1 ILE 2 42 -3.924 19.042 -9.270 1.00 0.00 C ATOM 1484 CG2 ILE 2 42 -3.552 21.296 -8.167 1.00 0.00 C ATOM 1485 CD1 ILE 2 42 -5.406 19.252 -8.947 1.00 0.00 C ATOM 0 H ILE 2 42 -1.289 17.788 -8.963 1.00 0.00 H new ATOM 0 HA ILE 2 42 -1.482 20.722 -9.464 1.00 0.00 H new ATOM 0 HB ILE 2 42 -3.078 19.392 -7.352 1.00 0.00 H new ATOM 0 HG12 ILE 2 42 -3.730 19.327 -10.304 1.00 0.00 H new ATOM 0 HG13 ILE 2 42 -3.674 17.985 -9.178 1.00 0.00 H new ATOM 0 HG21 ILE 2 42 -4.588 21.273 -7.829 1.00 0.00 H new ATOM 0 HG22 ILE 2 42 -2.941 21.819 -7.431 1.00 0.00 H new ATOM 0 HG23 ILE 2 42 -3.494 21.817 -9.123 1.00 0.00 H new ATOM 0 HD11 ILE 2 42 -6.015 18.656 -9.627 1.00 0.00 H new ATOM 0 HD12 ILE 2 42 -5.602 18.944 -7.920 1.00 0.00 H new ATOM 0 HD13 ILE 2 42 -5.658 20.306 -9.064 1.00 0.00 H new ATOM 1497 N PRO 2 43 0.355 21.010 -7.878 1.00 0.00 N ATOM 1498 CA PRO 2 43 1.382 21.285 -6.888 1.00 0.00 C ATOM 1499 C PRO 2 43 0.798 22.031 -5.685 1.00 0.00 C ATOM 1500 O PRO 2 43 1.501 22.289 -4.709 1.00 0.00 O ATOM 1501 CB PRO 2 43 2.438 22.088 -7.629 1.00 0.00 C ATOM 1502 CG PRO 2 43 1.754 22.629 -8.873 1.00 0.00 C ATOM 1503 CD PRO 2 43 0.443 21.878 -9.048 1.00 0.00 C ATOM 0 HA PRO 2 43 1.814 20.377 -6.467 1.00 0.00 H new ATOM 0 HB2 PRO 2 43 2.818 22.899 -7.008 1.00 0.00 H new ATOM 0 HB3 PRO 2 43 3.290 21.462 -7.893 1.00 0.00 H new ATOM 0 HG2 PRO 2 43 1.571 23.699 -8.773 1.00 0.00 H new ATOM 0 HG3 PRO 2 43 2.391 22.495 -9.748 1.00 0.00 H new ATOM 0 HD2 PRO 2 43 -0.403 22.564 -9.097 1.00 0.00 H new ATOM 0 HD3 PRO 2 43 0.438 21.299 -9.972 1.00 0.00 H new ATOM 1511 N GLY 2 44 -0.481 22.355 -5.795 1.00 0.00 N ATOM 1512 CA GLY 2 44 -1.168 23.065 -4.729 1.00 0.00 C ATOM 1513 C GLY 2 44 -1.828 22.088 -3.756 1.00 0.00 C ATOM 1514 O GLY 2 44 -2.337 22.494 -2.712 1.00 0.00 O ATOM 0 H GLY 2 44 -1.061 22.139 -6.606 1.00 0.00 H new ATOM 0 HA2 GLY 2 44 -0.460 23.696 -4.192 1.00 0.00 H new ATOM 0 HA3 GLY 2 44 -1.923 23.725 -5.155 1.00 0.00 H new ATOM 1518 N VAL 2 45 -1.799 20.818 -4.131 1.00 0.00 N ATOM 1519 CA VAL 2 45 -2.388 19.779 -3.303 1.00 0.00 C ATOM 1520 C VAL 2 45 -1.312 18.755 -2.933 1.00 0.00 C ATOM 1521 O VAL 2 45 -0.141 18.935 -3.262 1.00 0.00 O ATOM 1522 CB VAL 2 45 -3.586 19.154 -4.022 1.00 0.00 C ATOM 1523 CG1 VAL 2 45 -4.337 20.201 -4.846 1.00 0.00 C ATOM 1524 CG2 VAL 2 45 -3.149 17.978 -4.897 1.00 0.00 C ATOM 0 H VAL 2 45 -1.377 20.484 -4.997 1.00 0.00 H new ATOM 0 HA VAL 2 45 -2.768 20.202 -2.373 1.00 0.00 H new ATOM 0 HB VAL 2 45 -4.269 18.771 -3.264 1.00 0.00 H new ATOM 0 HG11 VAL 2 45 -5.184 19.731 -5.347 1.00 0.00 H new ATOM 0 HG12 VAL 2 45 -4.698 20.992 -4.188 1.00 0.00 H new ATOM 0 HG13 VAL 2 45 -3.666 20.627 -5.591 1.00 0.00 H new ATOM 0 HG21 VAL 2 45 -4.020 17.553 -5.396 1.00 0.00 H new ATOM 0 HG22 VAL 2 45 -2.436 18.326 -5.645 1.00 0.00 H new ATOM 0 HG23 VAL 2 45 -2.679 17.216 -4.275 1.00 0.00 H new ATOM 1534 N PRO 2 46 -1.760 17.677 -2.237 1.00 0.00 N ATOM 1535 CA PRO 2 46 -0.850 16.625 -1.820 1.00 0.00 C ATOM 1536 C PRO 2 46 -0.455 15.740 -3.003 1.00 0.00 C ATOM 1537 O PRO 2 46 -1.306 15.086 -3.605 1.00 0.00 O ATOM 1538 CB PRO 2 46 -1.596 15.867 -0.733 1.00 0.00 C ATOM 1539 CG PRO 2 46 -3.063 16.227 -0.906 1.00 0.00 C ATOM 1540 CD PRO 2 46 -3.141 17.431 -1.830 1.00 0.00 C ATOM 0 HA PRO 2 46 0.095 17.013 -1.439 1.00 0.00 H new ATOM 0 HB2 PRO 2 46 -1.443 14.792 -0.831 1.00 0.00 H new ATOM 0 HB3 PRO 2 46 -1.238 16.151 0.257 1.00 0.00 H new ATOM 0 HG2 PRO 2 46 -3.615 15.387 -1.326 1.00 0.00 H new ATOM 0 HG3 PRO 2 46 -3.516 16.456 0.058 1.00 0.00 H new ATOM 0 HD2 PRO 2 46 -3.777 17.228 -2.691 1.00 0.00 H new ATOM 0 HD3 PRO 2 46 -3.563 18.296 -1.318 1.00 0.00 H new ATOM 1548 N TRP 2 47 0.836 15.746 -3.302 1.00 0.00 N ATOM 1549 CA TRP 2 47 1.354 14.951 -4.402 1.00 0.00 C ATOM 1550 C TRP 2 47 1.717 13.569 -3.857 1.00 0.00 C ATOM 1551 O TRP 2 47 2.609 12.906 -4.384 1.00 0.00 O ATOM 1552 CB TRP 2 47 2.531 15.655 -5.080 1.00 0.00 C ATOM 1553 CG TRP 2 47 2.694 17.123 -4.679 1.00 0.00 C ATOM 1554 CD1 TRP 2 47 2.007 18.182 -5.128 1.00 0.00 C ATOM 1555 CD2 TRP 2 47 3.635 17.653 -3.722 1.00 0.00 C ATOM 1556 NE1 TRP 2 47 2.435 19.351 -4.533 1.00 0.00 N ATOM 1557 CE2 TRP 2 47 3.457 19.020 -3.651 1.00 0.00 C ATOM 1558 CE3 TRP 2 47 4.606 17.000 -2.942 1.00 0.00 C ATOM 1559 CZ2 TRP 2 47 4.212 19.849 -2.814 1.00 0.00 C ATOM 1560 CZ3 TRP 2 47 5.353 17.842 -2.111 1.00 0.00 C ATOM 1561 CH2 TRP 2 47 5.185 19.220 -2.028 1.00 0.00 C ATOM 0 H TRP 2 47 1.539 16.289 -2.801 1.00 0.00 H new ATOM 0 HA TRP 2 47 0.600 14.831 -5.180 1.00 0.00 H new ATOM 0 HB2 TRP 2 47 3.449 15.119 -4.839 1.00 0.00 H new ATOM 0 HB3 TRP 2 47 2.402 15.597 -6.161 1.00 0.00 H new ATOM 0 HD1 TRP 2 47 1.218 18.127 -5.863 1.00 0.00 H new ATOM 0 HE1 TRP 2 47 2.069 20.287 -4.708 1.00 0.00 H new ATOM 0 HE3 TRP 2 47 4.763 15.932 -2.981 1.00 0.00 H new ATOM 0 HZ2 TRP 2 47 4.053 20.917 -2.776 1.00 0.00 H new ATOM 0 HZ3 TRP 2 47 6.113 17.390 -1.491 1.00 0.00 H new ATOM 0 HH2 TRP 2 47 5.802 19.802 -1.360 1.00 0.00 H new ATOM 1572 N CYS 2 48 1.007 13.175 -2.810 1.00 0.00 N ATOM 1573 CA CYS 2 48 1.244 11.884 -2.189 1.00 0.00 C ATOM 1574 C CYS 2 48 0.136 11.634 -1.164 1.00 0.00 C ATOM 1575 O CYS 2 48 0.103 12.272 -0.113 1.00 0.00 O ATOM 1576 CB CYS 2 48 2.635 11.807 -1.556 1.00 0.00 C ATOM 1577 SG CYS 2 48 3.155 10.127 -1.049 1.00 0.00 S ATOM 0 H CYS 2 48 0.267 13.728 -2.376 1.00 0.00 H new ATOM 0 HA CYS 2 48 1.219 11.102 -2.948 1.00 0.00 H new ATOM 0 HB2 CYS 2 48 3.364 12.199 -2.265 1.00 0.00 H new ATOM 0 HB3 CYS 2 48 2.658 12.458 -0.682 1.00 0.00 H new ATOM 1582 N PHE 2 49 -0.743 10.704 -1.505 1.00 0.00 N ATOM 1583 CA PHE 2 49 -1.850 10.361 -0.628 1.00 0.00 C ATOM 1584 C PHE 2 49 -2.143 8.860 -0.674 1.00 0.00 C ATOM 1585 O PHE 2 49 -1.361 8.088 -1.228 1.00 0.00 O ATOM 1586 CB PHE 2 49 -3.075 11.124 -1.135 1.00 0.00 C ATOM 1587 CG PHE 2 49 -3.029 11.454 -2.628 1.00 0.00 C ATOM 1588 CD1 PHE 2 49 -2.093 12.320 -3.104 1.00 0.00 C ATOM 1589 CD2 PHE 2 49 -3.924 10.884 -3.479 1.00 0.00 C ATOM 1590 CE1 PHE 2 49 -2.050 12.627 -4.490 1.00 0.00 C ATOM 1591 CE2 PHE 2 49 -3.880 11.191 -4.865 1.00 0.00 C ATOM 1592 CZ PHE 2 49 -2.944 12.056 -5.341 1.00 0.00 C ATOM 0 H PHE 2 49 -0.711 10.177 -2.377 1.00 0.00 H new ATOM 0 HA PHE 2 49 -1.604 10.624 0.401 1.00 0.00 H new ATOM 0 HB2 PHE 2 49 -3.968 10.533 -0.931 1.00 0.00 H new ATOM 0 HB3 PHE 2 49 -3.171 12.052 -0.571 1.00 0.00 H new ATOM 0 HD1 PHE 2 49 -1.383 12.774 -2.428 1.00 0.00 H new ATOM 0 HD2 PHE 2 49 -4.668 10.198 -3.101 1.00 0.00 H new ATOM 0 HE1 PHE 2 49 -1.307 13.314 -4.868 1.00 0.00 H new ATOM 0 HE2 PHE 2 49 -4.590 10.738 -5.541 1.00 0.00 H new ATOM 0 HZ PHE 2 49 -2.911 12.289 -6.395 1.00 0.00 H new ATOM 1602 N LYS 2 50 -3.270 8.491 -0.085 1.00 0.00 N ATOM 1603 CA LYS 2 50 -3.676 7.097 -0.052 1.00 0.00 C ATOM 1604 C LYS 2 50 -5.057 6.956 -0.698 1.00 0.00 C ATOM 1605 O LYS 2 50 -6.035 6.651 -0.019 1.00 0.00 O ATOM 1606 CB LYS 2 50 -3.606 6.552 1.375 1.00 0.00 C ATOM 1607 CG LYS 2 50 -3.672 7.687 2.399 1.00 0.00 C ATOM 1608 CD LYS 2 50 -2.268 8.151 2.793 1.00 0.00 C ATOM 1609 CE LYS 2 50 -1.405 6.971 3.240 1.00 0.00 C ATOM 1610 NZ LYS 2 50 -2.225 5.975 3.965 1.00 0.00 N ATOM 0 H LYS 2 50 -3.915 9.134 0.374 1.00 0.00 H new ATOM 0 HA LYS 2 50 -2.987 6.486 -0.636 1.00 0.00 H new ATOM 0 HB2 LYS 2 50 -4.429 5.857 1.543 1.00 0.00 H new ATOM 0 HB3 LYS 2 50 -2.682 5.990 1.509 1.00 0.00 H new ATOM 0 HG2 LYS 2 50 -4.233 8.524 1.984 1.00 0.00 H new ATOM 0 HG3 LYS 2 50 -4.210 7.351 3.285 1.00 0.00 H new ATOM 0 HD2 LYS 2 50 -1.796 8.651 1.947 1.00 0.00 H new ATOM 0 HD3 LYS 2 50 -2.336 8.882 3.599 1.00 0.00 H new ATOM 0 HE2 LYS 2 50 -0.939 6.505 2.372 1.00 0.00 H new ATOM 0 HE3 LYS 2 50 -0.599 7.325 3.883 1.00 0.00 H new ATOM 0 HZ1 LYS 2 50 -1.627 5.461 4.644 1.00 0.00 H new ATOM 0 HZ2 LYS 2 50 -2.990 6.461 4.475 1.00 0.00 H new ATOM 0 HZ3 LYS 2 50 -2.635 5.302 3.286 1.00 0.00 H new ATOM 1624 N PRO 2 51 -5.091 7.191 -2.036 1.00 0.00 N ATOM 1625 CA PRO 2 51 -6.335 7.094 -2.782 1.00 0.00 C ATOM 1626 C PRO 2 51 -6.735 5.632 -2.993 1.00 0.00 C ATOM 1627 O PRO 2 51 -7.338 5.017 -2.115 1.00 0.00 O ATOM 1628 CB PRO 2 51 -6.073 7.833 -4.084 1.00 0.00 C ATOM 1629 CG PRO 2 51 -4.561 7.912 -4.220 1.00 0.00 C ATOM 1630 CD PRO 2 51 -3.953 7.554 -2.875 1.00 0.00 C ATOM 0 HA PRO 2 51 -7.179 7.537 -2.252 1.00 0.00 H new ATOM 0 HB2 PRO 2 51 -6.514 7.304 -4.929 1.00 0.00 H new ATOM 0 HB3 PRO 2 51 -6.516 8.829 -4.064 1.00 0.00 H new ATOM 0 HG2 PRO 2 51 -4.211 7.227 -4.992 1.00 0.00 H new ATOM 0 HG3 PRO 2 51 -4.257 8.914 -4.522 1.00 0.00 H new ATOM 0 HD2 PRO 2 51 -3.249 6.727 -2.967 1.00 0.00 H new ATOM 0 HD3 PRO 2 51 -3.403 8.395 -2.453 1.00 0.00 H new ATOM 1638 N LEU 2 52 -6.384 5.119 -4.163 1.00 0.00 N ATOM 1639 CA LEU 2 52 -6.698 3.742 -4.501 1.00 0.00 C ATOM 1640 C LEU 2 52 -5.443 2.882 -4.339 1.00 0.00 C ATOM 1641 O LEU 2 52 -5.167 2.018 -5.170 1.00 0.00 O ATOM 1642 CB LEU 2 52 -7.323 3.661 -5.895 1.00 0.00 C ATOM 1643 CG LEU 2 52 -6.351 3.426 -7.054 1.00 0.00 C ATOM 1644 CD1 LEU 2 52 -6.498 2.011 -7.614 1.00 0.00 C ATOM 1645 CD2 LEU 2 52 -6.522 4.494 -8.137 1.00 0.00 C ATOM 0 H LEU 2 52 -5.885 5.633 -4.889 1.00 0.00 H new ATOM 0 HA LEU 2 52 -7.448 3.344 -3.817 1.00 0.00 H new ATOM 0 HB2 LEU 2 52 -8.059 2.857 -5.895 1.00 0.00 H new ATOM 0 HB3 LEU 2 52 -7.864 4.588 -6.083 1.00 0.00 H new ATOM 0 HG LEU 2 52 -5.334 3.516 -6.672 1.00 0.00 H new ATOM 0 HD11 LEU 2 52 -5.796 1.870 -8.436 1.00 0.00 H new ATOM 0 HD12 LEU 2 52 -6.287 1.285 -6.829 1.00 0.00 H new ATOM 0 HD13 LEU 2 52 -7.516 1.867 -7.977 1.00 0.00 H new ATOM 0 HD21 LEU 2 52 -5.820 4.304 -8.949 1.00 0.00 H new ATOM 0 HD22 LEU 2 52 -7.541 4.461 -8.523 1.00 0.00 H new ATOM 0 HD23 LEU 2 52 -6.327 5.478 -7.711 1.00 0.00 H new ATOM 1657 N GLN 2 53 -4.716 3.148 -3.263 1.00 0.00 N ATOM 1658 CA GLN 2 53 -3.497 2.410 -2.983 1.00 0.00 C ATOM 1659 C GLN 2 53 -3.700 0.921 -3.269 1.00 0.00 C ATOM 1660 O GLN 2 53 -2.737 0.197 -3.519 1.00 0.00 O ATOM 1661 CB GLN 2 53 -3.041 2.634 -1.539 1.00 0.00 C ATOM 1662 CG GLN 2 53 -3.594 3.949 -0.987 1.00 0.00 C ATOM 1663 CD GLN 2 53 -4.987 3.749 -0.385 1.00 0.00 C ATOM 1664 OE1 GLN 2 53 -5.673 2.749 -0.930 1.00 0.00 O flip ATOM 1665 NE2 GLN 2 53 -5.410 4.455 0.516 1.00 0.00 N flip ATOM 0 H GLN 2 53 -4.948 3.864 -2.575 1.00 0.00 H new ATOM 0 HA GLN 2 53 -2.711 2.782 -3.640 1.00 0.00 H new ATOM 0 HB2 GLN 2 53 -3.375 1.805 -0.916 1.00 0.00 H new ATOM 0 HB3 GLN 2 53 -1.952 2.647 -1.496 1.00 0.00 H new ATOM 0 HG2 GLN 2 53 -2.918 4.341 -0.227 1.00 0.00 H new ATOM 0 HG3 GLN 2 53 -3.642 4.691 -1.784 1.00 0.00 H new ATOM 0 HE21 GLN 2 53 -4.831 5.207 0.890 1.00 0.00 H new ATOM 0 HE22 GLN 2 53 -6.343 4.293 0.896 1.00 0.00 H new ATOM 1674 N GLU 2 54 -4.958 0.509 -3.224 1.00 0.00 N ATOM 1675 CA GLU 2 54 -5.299 -0.881 -3.475 1.00 0.00 C ATOM 1676 C GLU 2 54 -4.509 -1.413 -4.673 1.00 0.00 C ATOM 1677 O GLU 2 54 -4.305 -2.619 -4.799 1.00 0.00 O ATOM 1678 CB GLU 2 54 -6.804 -1.044 -3.696 1.00 0.00 C ATOM 1679 CG GLU 2 54 -7.243 -0.383 -5.004 1.00 0.00 C ATOM 1680 CD GLU 2 54 -8.213 -1.280 -5.774 1.00 0.00 C ATOM 1681 OE1 GLU 2 54 -8.016 -2.513 -5.714 1.00 0.00 O ATOM 1682 OE2 GLU 2 54 -9.130 -0.713 -6.406 1.00 0.00 O ATOM 0 H GLU 2 54 -5.754 1.113 -3.018 1.00 0.00 H new ATOM 0 HA GLU 2 54 -5.028 -1.466 -2.596 1.00 0.00 H new ATOM 0 HB2 GLU 2 54 -7.059 -2.104 -3.717 1.00 0.00 H new ATOM 0 HB3 GLU 2 54 -7.347 -0.602 -2.861 1.00 0.00 H new ATOM 0 HG2 GLU 2 54 -7.719 0.574 -4.790 1.00 0.00 H new ATOM 0 HG3 GLU 2 54 -6.369 -0.173 -5.621 1.00 0.00 H new ATOM 1689 N ALA 2 55 -4.086 -0.488 -5.521 1.00 0.00 N ATOM 1690 CA ALA 2 55 -3.322 -0.849 -6.702 1.00 0.00 C ATOM 1691 C ALA 2 55 -2.532 -2.128 -6.422 1.00 0.00 C ATOM 1692 O ALA 2 55 -2.741 -3.147 -7.077 1.00 0.00 O ATOM 1693 CB ALA 2 55 -2.419 0.319 -7.104 1.00 0.00 C ATOM 0 H ALA 2 55 -4.258 0.512 -5.414 1.00 0.00 H new ATOM 0 HA ALA 2 55 -3.987 -1.050 -7.542 1.00 0.00 H new ATOM 0 HB1 ALA 2 55 -1.846 0.047 -7.990 1.00 0.00 H new ATOM 0 HB2 ALA 2 55 -3.031 1.194 -7.322 1.00 0.00 H new ATOM 0 HB3 ALA 2 55 -1.736 0.549 -6.286 1.00 0.00 H new ATOM 1699 N GLU 2 56 -1.639 -2.032 -5.448 1.00 0.00 N ATOM 1700 CA GLU 2 56 -0.815 -3.169 -5.074 1.00 0.00 C ATOM 1701 C GLU 2 56 -0.475 -3.111 -3.583 1.00 0.00 C ATOM 1702 O GLU 2 56 0.476 -3.748 -3.133 1.00 0.00 O ATOM 1703 CB GLU 2 56 0.456 -3.230 -5.923 1.00 0.00 C ATOM 1704 CG GLU 2 56 0.766 -4.668 -6.344 1.00 0.00 C ATOM 1705 CD GLU 2 56 2.193 -4.785 -6.885 1.00 0.00 C ATOM 1706 OE1 GLU 2 56 3.111 -4.898 -6.044 1.00 0.00 O ATOM 1707 OE2 GLU 2 56 2.332 -4.759 -8.126 1.00 0.00 O ATOM 0 H GLU 2 56 -1.468 -1.185 -4.907 1.00 0.00 H new ATOM 0 HA GLU 2 56 -1.382 -4.080 -5.263 1.00 0.00 H new ATOM 0 HB2 GLU 2 56 0.336 -2.606 -6.809 1.00 0.00 H new ATOM 0 HB3 GLU 2 56 1.295 -2.824 -5.358 1.00 0.00 H new ATOM 0 HG2 GLU 2 56 0.641 -5.335 -5.491 1.00 0.00 H new ATOM 0 HG3 GLU 2 56 0.056 -4.988 -7.107 1.00 0.00 H new ATOM 1714 N CYS 2 57 -1.272 -2.340 -2.857 1.00 0.00 N ATOM 1715 CA CYS 2 57 -1.069 -2.189 -1.426 1.00 0.00 C ATOM 1716 C CYS 2 57 -2.078 -3.081 -0.701 1.00 0.00 C ATOM 1717 O CYS 2 57 -1.703 -4.079 -0.087 1.00 0.00 O ATOM 1718 CB CYS 2 57 -1.180 -0.727 -0.989 1.00 0.00 C ATOM 1719 SG CYS 2 57 0.296 -0.069 -0.131 1.00 0.00 S ATOM 0 H CYS 2 57 -2.060 -1.813 -3.234 1.00 0.00 H new ATOM 0 HA CYS 2 57 -0.058 -2.500 -1.165 1.00 0.00 H new ATOM 0 HB2 CYS 2 57 -1.376 -0.113 -1.868 1.00 0.00 H new ATOM 0 HB3 CYS 2 57 -2.042 -0.624 -0.330 1.00 0.00 H new ATOM 1724 N THR 2 58 -3.341 -2.689 -0.794 1.00 0.00 N ATOM 1725 CA THR 2 58 -4.408 -3.439 -0.155 1.00 0.00 C ATOM 1726 C THR 2 58 -4.327 -4.917 -0.543 1.00 0.00 C ATOM 1727 O THR 2 58 -4.482 -5.794 0.305 1.00 0.00 O ATOM 1728 CB THR 2 58 -5.738 -2.783 -0.530 1.00 0.00 C ATOM 1729 OG1 THR 2 58 -6.592 -3.073 0.573 1.00 0.00 O ATOM 1730 CG2 THR 2 58 -6.416 -3.472 -1.716 1.00 0.00 C ATOM 0 H THR 2 58 -3.649 -1.860 -1.303 1.00 0.00 H new ATOM 0 HA THR 2 58 -4.313 -3.415 0.931 1.00 0.00 H new ATOM 0 HB THR 2 58 -5.570 -1.732 -0.767 1.00 0.00 H new ATOM 0 HG1 THR 2 58 -7.513 -2.825 0.348 1.00 0.00 H new ATOM 0 HG21 THR 2 58 -7.356 -2.968 -1.941 1.00 0.00 H new ATOM 0 HG22 THR 2 58 -5.762 -3.426 -2.586 1.00 0.00 H new ATOM 0 HG23 THR 2 58 -6.614 -4.514 -1.466 1.00 0.00 H new ATOM 1738 N PHE 2 59 -4.084 -5.146 -1.825 1.00 0.00 N ATOM 1739 CA PHE 2 59 -3.981 -6.502 -2.335 1.00 0.00 C ATOM 1740 C PHE 2 59 -3.347 -7.432 -1.298 1.00 0.00 C ATOM 1741 O PHE 2 59 -2.571 -8.320 -1.648 1.00 0.00 O ATOM 1742 CB PHE 2 59 -3.081 -6.447 -3.572 1.00 0.00 C ATOM 1743 CG PHE 2 59 -3.725 -7.021 -4.836 1.00 0.00 C ATOM 1744 CD1 PHE 2 59 -4.810 -6.410 -5.382 1.00 0.00 C ATOM 1745 CD2 PHE 2 59 -3.212 -8.140 -5.412 1.00 0.00 C ATOM 1746 CE1 PHE 2 59 -5.408 -6.941 -6.555 1.00 0.00 C ATOM 1747 CE2 PHE 2 59 -3.810 -8.672 -6.586 1.00 0.00 C ATOM 1748 CZ PHE 2 59 -4.895 -8.061 -7.133 1.00 0.00 C ATOM 0 H PHE 2 59 -3.956 -4.416 -2.525 1.00 0.00 H new ATOM 0 HA PHE 2 59 -4.973 -6.888 -2.570 1.00 0.00 H new ATOM 0 HB2 PHE 2 59 -2.800 -5.411 -3.758 1.00 0.00 H new ATOM 0 HB3 PHE 2 59 -2.162 -6.994 -3.364 1.00 0.00 H new ATOM 0 HD1 PHE 2 59 -5.217 -5.521 -4.923 1.00 0.00 H new ATOM 0 HD2 PHE 2 59 -2.350 -8.625 -4.978 1.00 0.00 H new ATOM 0 HE1 PHE 2 59 -6.270 -6.456 -6.989 1.00 0.00 H new ATOM 0 HE2 PHE 2 59 -3.403 -9.561 -7.044 1.00 0.00 H new ATOM 0 HZ PHE 2 59 -5.349 -8.465 -8.026 1.00 0.00 H new TER 1758 PHE 2 59