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 23 TYR OH : rot 15:sc= -1.38 USER MOD Set 1.2: 2 23 TYR OH : rot 15:sc= -1.63! USER MOD Single : 1 1 GLU N :NH3+ 165:sc= -0.0769 (180deg=-0.422) USER MOD Single : 1 3 TYR OH : rot 180:sc= 0 USER MOD Single : 1 7 SER OG : rot -56:sc= 1 USER MOD Single : 1 9 ASN : amide:sc= -0.138 X(o=-0.14,f=0) USER MOD Single : 1 10 GLN :FLIP amide:sc= -6.09 F(o=-12!,f=-6.1) USER MOD Single : 1 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 25 HIS : no HD1:sc= -0.162 X(o=-0.16,f=-0.42) USER MOD Single : 1 27 THR OG1 : rot 180:sc= -0.137 USER MOD Single : 1 29 LYS NZ :NH3+ 161:sc= -0.488 (180deg=-1.09) USER MOD Single : 1 32 ASN :FLIP amide:sc= -0.4 F(o=-2.7,f=-0.4) USER MOD Single : 1 33 ASN : amide:sc= -0.0711 X(o=-0.071,f=-0.064) USER MOD Single : 1 40 SER OG : rot 105:sc= 0.772 USER MOD Single : 1 50 LYS NZ :NH3+ 146:sc= -0.1 (180deg=-1.19!) USER MOD Single : 1 53 GLN : amide:sc= -11.9! C(o=-12!,f=-18!) USER MOD Single : 1 58 THR OG1 : rot -160:sc= -0.601 USER MOD Single : 2 1 GLU N :NH3+ -132:sc= 0.0559 (180deg=0) USER MOD Single : 2 3 TYR OH : rot 180:sc= 0 USER MOD Single : 2 7 SER OG : rot 123:sc= 0.281 USER MOD Single : 2 9 ASN : amide:sc= -0.0891 X(o=-0.089,f=-0.018) USER MOD Single : 2 10 GLN :FLIP amide:sc= -8.34! C(o=-13!,f=-8.3!) USER MOD Single : 2 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 2 25 HIS : no HD1:sc= -0.469 K(o=-0.47,f=-1.5) USER MOD Single : 2 27 THR OG1 : rot 60:sc= 0.13 USER MOD Single : 2 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 2 32 ASN :FLIP amide:sc= -0.204 F(o=-1.6,f=-0.2) USER MOD Single : 2 33 ASN : amide:sc= -0.0241 X(o=-0.024,f=-0.22) USER MOD Single : 2 40 SER OG : rot 180:sc= -0.258 USER MOD Single : 2 50 LYS NZ :NH3+ -121:sc= 0.582 (180deg=-0.00855) USER MOD Single : 2 53 GLN : amide:sc= -11.5! C(o=-11!,f=-20!) USER MOD Single : 2 58 THR OG1 : rot 180:sc= -2.69 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU 1 1 -17.694 -6.823 2.339 1.00 0.00 N ATOM 2 CA GLU 1 1 -16.705 -7.760 2.843 1.00 0.00 C ATOM 3 C GLU 1 1 -16.273 -8.724 1.735 1.00 0.00 C ATOM 4 O GLU 1 1 -15.906 -9.865 2.009 1.00 0.00 O ATOM 5 CB GLU 1 1 -17.240 -8.523 4.056 1.00 0.00 C ATOM 6 CG GLU 1 1 -16.962 -7.759 5.352 1.00 0.00 C ATOM 7 CD GLU 1 1 -17.254 -8.629 6.576 1.00 0.00 C ATOM 8 OE1 GLU 1 1 -18.344 -9.243 6.589 1.00 0.00 O ATOM 9 OE2 GLU 1 1 -16.382 -8.663 7.470 1.00 0.00 O ATOM 0 H1 GLU 1 1 -18.162 -6.349 3.138 1.00 0.00 H new ATOM 0 H2 GLU 1 1 -17.226 -6.112 1.741 1.00 0.00 H new ATOM 0 H3 GLU 1 1 -18.403 -7.336 1.777 1.00 0.00 H new ATOM 0 HA GLU 1 1 -15.831 -7.195 3.167 1.00 0.00 H new ATOM 0 HB2 GLU 1 1 -18.313 -8.681 3.946 1.00 0.00 H new ATOM 0 HB3 GLU 1 1 -16.776 -9.508 4.104 1.00 0.00 H new ATOM 0 HG2 GLU 1 1 -15.921 -7.436 5.371 1.00 0.00 H new ATOM 0 HG3 GLU 1 1 -17.576 -6.859 5.386 1.00 0.00 H new ATOM 16 N GLU 1 2 -16.331 -8.228 0.508 1.00 0.00 N ATOM 17 CA GLU 1 2 -15.951 -9.030 -0.642 1.00 0.00 C ATOM 18 C GLU 1 2 -14.430 -9.172 -0.711 1.00 0.00 C ATOM 19 O GLU 1 2 -13.910 -9.957 -1.503 1.00 0.00 O ATOM 20 CB GLU 1 2 -16.506 -8.431 -1.936 1.00 0.00 C ATOM 21 CG GLU 1 2 -17.879 -9.018 -2.268 1.00 0.00 C ATOM 22 CD GLU 1 2 -18.524 -8.275 -3.440 1.00 0.00 C ATOM 23 OE1 GLU 1 2 -17.782 -7.977 -4.401 1.00 0.00 O ATOM 24 OE2 GLU 1 2 -19.744 -8.021 -3.347 1.00 0.00 O ATOM 0 H GLU 1 2 -16.636 -7.280 0.285 1.00 0.00 H new ATOM 0 HA GLU 1 2 -16.384 -10.024 -0.526 1.00 0.00 H new ATOM 0 HB2 GLU 1 2 -16.584 -7.348 -1.835 1.00 0.00 H new ATOM 0 HB3 GLU 1 2 -15.815 -8.626 -2.756 1.00 0.00 H new ATOM 0 HG2 GLU 1 2 -17.777 -10.075 -2.515 1.00 0.00 H new ATOM 0 HG3 GLU 1 2 -18.526 -8.956 -1.393 1.00 0.00 H new ATOM 31 N TYR 1 3 -13.756 -8.399 0.129 1.00 0.00 N ATOM 32 CA TYR 1 3 -12.304 -8.428 0.173 1.00 0.00 C ATOM 33 C TYR 1 3 -11.807 -9.446 1.201 1.00 0.00 C ATOM 34 O TYR 1 3 -11.833 -9.184 2.403 1.00 0.00 O ATOM 35 CB TYR 1 3 -11.867 -7.027 0.609 1.00 0.00 C ATOM 36 CG TYR 1 3 -12.597 -6.505 1.849 1.00 0.00 C ATOM 37 CD1 TYR 1 3 -13.771 -5.792 1.710 1.00 0.00 C ATOM 38 CD2 TYR 1 3 -12.081 -6.747 3.106 1.00 0.00 C ATOM 39 CE1 TYR 1 3 -14.457 -5.301 2.876 1.00 0.00 C ATOM 40 CE2 TYR 1 3 -12.768 -6.256 4.272 1.00 0.00 C ATOM 41 CZ TYR 1 3 -13.921 -5.558 4.100 1.00 0.00 C ATOM 42 OH TYR 1 3 -14.570 -5.093 5.202 1.00 0.00 O ATOM 0 H TYR 1 3 -14.189 -7.749 0.785 1.00 0.00 H new ATOM 0 HA TYR 1 3 -11.896 -8.710 -0.798 1.00 0.00 H new ATOM 0 HB2 TYR 1 3 -10.795 -7.037 0.808 1.00 0.00 H new ATOM 0 HB3 TYR 1 3 -12.031 -6.333 -0.216 1.00 0.00 H new ATOM 0 HD1 TYR 1 3 -14.175 -5.603 0.726 1.00 0.00 H new ATOM 0 HD2 TYR 1 3 -11.162 -7.304 3.215 1.00 0.00 H new ATOM 0 HE1 TYR 1 3 -15.376 -4.742 2.782 1.00 0.00 H new ATOM 0 HE2 TYR 1 3 -12.376 -6.438 5.262 1.00 0.00 H new ATOM 0 HH TYR 1 3 -14.074 -5.351 6.007 1.00 0.00 H new ATOM 52 N VAL 1 4 -11.368 -10.587 0.691 1.00 0.00 N ATOM 53 CA VAL 1 4 -10.867 -11.647 1.550 1.00 0.00 C ATOM 54 C VAL 1 4 -9.350 -11.754 1.388 1.00 0.00 C ATOM 55 O VAL 1 4 -8.615 -11.762 2.373 1.00 0.00 O ATOM 56 CB VAL 1 4 -11.595 -12.958 1.244 1.00 0.00 C ATOM 57 CG1 VAL 1 4 -12.493 -13.371 2.411 1.00 0.00 C ATOM 58 CG2 VAL 1 4 -12.397 -12.849 -0.054 1.00 0.00 C ATOM 0 H VAL 1 4 -11.349 -10.801 -0.306 1.00 0.00 H new ATOM 0 HA VAL 1 4 -11.067 -11.417 2.596 1.00 0.00 H new ATOM 0 HB VAL 1 4 -10.843 -13.736 1.109 1.00 0.00 H new ATOM 0 HG11 VAL 1 4 -12.999 -14.305 2.168 1.00 0.00 H new ATOM 0 HG12 VAL 1 4 -11.886 -13.509 3.306 1.00 0.00 H new ATOM 0 HG13 VAL 1 4 -13.235 -12.593 2.592 1.00 0.00 H new ATOM 0 HG21 VAL 1 4 -12.905 -13.794 -0.248 1.00 0.00 H new ATOM 0 HG22 VAL 1 4 -13.136 -12.053 0.040 1.00 0.00 H new ATOM 0 HG23 VAL 1 4 -11.723 -12.622 -0.880 1.00 0.00 H new ATOM 68 N GLY 1 5 -8.925 -11.833 0.135 1.00 0.00 N ATOM 69 CA GLY 1 5 -7.508 -11.939 -0.170 1.00 0.00 C ATOM 70 C GLY 1 5 -6.795 -10.606 0.065 1.00 0.00 C ATOM 71 O GLY 1 5 -5.641 -10.438 -0.325 1.00 0.00 O ATOM 0 H GLY 1 5 -9.537 -11.826 -0.681 1.00 0.00 H new ATOM 0 HA2 GLY 1 5 -7.056 -12.712 0.451 1.00 0.00 H new ATOM 0 HA3 GLY 1 5 -7.378 -12.247 -1.207 1.00 0.00 H new ATOM 75 N LEU 1 6 -7.513 -9.693 0.702 1.00 0.00 N ATOM 76 CA LEU 1 6 -6.963 -8.380 0.994 1.00 0.00 C ATOM 77 C LEU 1 6 -7.381 -7.959 2.405 1.00 0.00 C ATOM 78 O LEU 1 6 -7.268 -6.788 2.766 1.00 0.00 O ATOM 79 CB LEU 1 6 -7.364 -7.378 -0.091 1.00 0.00 C ATOM 80 CG LEU 1 6 -7.745 -7.975 -1.447 1.00 0.00 C ATOM 81 CD1 LEU 1 6 -8.974 -8.877 -1.324 1.00 0.00 C ATOM 82 CD2 LEU 1 6 -7.943 -6.876 -2.493 1.00 0.00 C ATOM 0 H LEU 1 6 -8.470 -9.836 1.024 1.00 0.00 H new ATOM 0 HA LEU 1 6 -5.874 -8.411 0.980 1.00 0.00 H new ATOM 0 HB2 LEU 1 6 -8.207 -6.793 0.276 1.00 0.00 H new ATOM 0 HB3 LEU 1 6 -6.537 -6.685 -0.241 1.00 0.00 H new ATOM 0 HG LEU 1 6 -6.920 -8.601 -1.788 1.00 0.00 H new ATOM 0 HD11 LEU 1 6 -9.223 -9.288 -2.302 1.00 0.00 H new ATOM 0 HD12 LEU 1 6 -8.760 -9.691 -0.632 1.00 0.00 H new ATOM 0 HD13 LEU 1 6 -9.816 -8.295 -0.950 1.00 0.00 H new ATOM 0 HD21 LEU 1 6 -8.213 -7.327 -3.448 1.00 0.00 H new ATOM 0 HD22 LEU 1 6 -8.739 -6.206 -2.170 1.00 0.00 H new ATOM 0 HD23 LEU 1 6 -7.018 -6.311 -2.607 1.00 0.00 H new ATOM 94 N SER 1 7 -7.855 -8.937 3.164 1.00 0.00 N ATOM 95 CA SER 1 7 -8.290 -8.682 4.526 1.00 0.00 C ATOM 96 C SER 1 7 -7.271 -9.251 5.516 1.00 0.00 C ATOM 97 O SER 1 7 -6.308 -9.904 5.114 1.00 0.00 O ATOM 98 CB SER 1 7 -9.673 -9.283 4.785 1.00 0.00 C ATOM 99 OG SER 1 7 -9.645 -10.708 4.779 1.00 0.00 O ATOM 0 H SER 1 7 -7.947 -9.907 2.861 1.00 0.00 H new ATOM 0 HA SER 1 7 -8.360 -7.603 4.666 1.00 0.00 H new ATOM 0 HB2 SER 1 7 -10.047 -8.932 5.747 1.00 0.00 H new ATOM 0 HB3 SER 1 7 -10.370 -8.931 4.024 1.00 0.00 H new ATOM 0 HG SER 1 7 -9.267 -11.024 3.932 1.00 0.00 H new ATOM 105 N ALA 1 8 -7.518 -8.983 6.789 1.00 0.00 N ATOM 106 CA ALA 1 8 -6.634 -9.461 7.839 1.00 0.00 C ATOM 107 C ALA 1 8 -6.627 -10.991 7.838 1.00 0.00 C ATOM 108 O ALA 1 8 -7.350 -11.619 8.610 1.00 0.00 O ATOM 109 CB ALA 1 8 -7.078 -8.881 9.184 1.00 0.00 C ATOM 0 H ALA 1 8 -8.317 -8.441 7.118 1.00 0.00 H new ATOM 0 HA ALA 1 8 -5.612 -9.127 7.661 1.00 0.00 H new ATOM 0 HB1 ALA 1 8 -6.415 -9.239 9.971 1.00 0.00 H new ATOM 0 HB2 ALA 1 8 -7.037 -7.793 9.142 1.00 0.00 H new ATOM 0 HB3 ALA 1 8 -8.099 -9.197 9.397 1.00 0.00 H new ATOM 115 N ASN 1 9 -5.803 -11.547 6.963 1.00 0.00 N ATOM 116 CA ASN 1 9 -5.694 -12.992 6.851 1.00 0.00 C ATOM 117 C ASN 1 9 -4.791 -13.340 5.666 1.00 0.00 C ATOM 118 O ASN 1 9 -4.068 -14.335 5.703 1.00 0.00 O ATOM 119 CB ASN 1 9 -7.062 -13.631 6.607 1.00 0.00 C ATOM 120 CG ASN 1 9 -6.920 -15.113 6.255 1.00 0.00 C ATOM 121 OD1 ASN 1 9 -7.437 -15.593 5.259 1.00 0.00 O ATOM 122 ND2 ASN 1 9 -6.192 -15.808 7.123 1.00 0.00 N ATOM 0 H ASN 1 9 -5.204 -11.023 6.325 1.00 0.00 H new ATOM 0 HA ASN 1 9 -5.281 -13.372 7.785 1.00 0.00 H new ATOM 0 HB2 ASN 1 9 -7.682 -13.523 7.497 1.00 0.00 H new ATOM 0 HB3 ASN 1 9 -7.572 -13.109 5.798 1.00 0.00 H new ATOM 0 HD21 ASN 1 9 -6.038 -16.805 6.976 1.00 0.00 H new ATOM 0 HD22 ASN 1 9 -5.788 -15.344 7.936 1.00 0.00 H new ATOM 129 N GLN 1 10 -4.862 -12.502 4.642 1.00 0.00 N ATOM 130 CA GLN 1 10 -4.060 -12.709 3.448 1.00 0.00 C ATOM 131 C GLN 1 10 -2.571 -12.681 3.797 1.00 0.00 C ATOM 132 O GLN 1 10 -1.772 -13.386 3.183 1.00 0.00 O ATOM 133 CB GLN 1 10 -4.392 -11.668 2.378 1.00 0.00 C ATOM 134 CG GLN 1 10 -3.992 -12.164 0.987 1.00 0.00 C ATOM 135 CD GLN 1 10 -3.064 -11.164 0.294 1.00 0.00 C ATOM 136 OE1 GLN 1 10 -3.395 -9.891 0.491 1.00 0.00 O flip ATOM 137 NE2 GLN 1 10 -2.110 -11.524 -0.376 1.00 0.00 N flip ATOM 0 H GLN 1 10 -5.463 -11.678 4.615 1.00 0.00 H new ATOM 0 HA GLN 1 10 -4.299 -13.691 3.039 1.00 0.00 H new ATOM 0 HB2 GLN 1 10 -5.460 -11.450 2.397 1.00 0.00 H new ATOM 0 HB3 GLN 1 10 -3.872 -10.736 2.599 1.00 0.00 H new ATOM 0 HG2 GLN 1 10 -3.494 -13.130 1.071 1.00 0.00 H new ATOM 0 HG3 GLN 1 10 -4.885 -12.317 0.381 1.00 0.00 H new ATOM 0 HE21 GLN 1 10 -1.911 -12.518 -0.487 1.00 0.00 H new ATOM 0 HE22 GLN 1 10 -1.511 -10.831 -0.825 1.00 0.00 H new ATOM 146 N CYS 1 11 -2.243 -11.859 4.783 1.00 0.00 N ATOM 147 CA CYS 1 11 -0.863 -11.730 5.222 1.00 0.00 C ATOM 148 C CYS 1 11 -0.426 -13.063 5.832 1.00 0.00 C ATOM 149 O CYS 1 11 0.743 -13.242 6.167 1.00 0.00 O ATOM 150 CB CYS 1 11 -0.688 -10.569 6.202 1.00 0.00 C ATOM 151 SG CYS 1 11 1.006 -10.376 6.867 1.00 0.00 S ATOM 0 H CYS 1 11 -2.908 -11.276 5.290 1.00 0.00 H new ATOM 0 HA CYS 1 11 -0.227 -11.497 4.368 1.00 0.00 H new ATOM 0 HB2 CYS 1 11 -0.975 -9.644 5.702 1.00 0.00 H new ATOM 0 HB3 CYS 1 11 -1.377 -10.708 7.035 1.00 0.00 H new ATOM 156 N ALA 1 12 -1.389 -13.964 5.956 1.00 0.00 N ATOM 157 CA ALA 1 12 -1.119 -15.276 6.520 1.00 0.00 C ATOM 158 C ALA 1 12 -0.973 -16.294 5.386 1.00 0.00 C ATOM 159 O ALA 1 12 -1.117 -17.495 5.604 1.00 0.00 O ATOM 160 CB ALA 1 12 -2.233 -15.650 7.500 1.00 0.00 C ATOM 0 H ALA 1 12 -2.358 -13.812 5.676 1.00 0.00 H new ATOM 0 HA ALA 1 12 -0.183 -15.268 7.078 1.00 0.00 H new ATOM 0 HB1 ALA 1 12 -2.030 -16.634 7.923 1.00 0.00 H new ATOM 0 HB2 ALA 1 12 -2.275 -14.912 8.301 1.00 0.00 H new ATOM 0 HB3 ALA 1 12 -3.188 -15.670 6.975 1.00 0.00 H new ATOM 166 N VAL 1 13 -0.690 -15.775 4.200 1.00 0.00 N ATOM 167 CA VAL 1 13 -0.524 -16.622 3.032 1.00 0.00 C ATOM 168 C VAL 1 13 0.280 -17.865 3.420 1.00 0.00 C ATOM 169 O VAL 1 13 0.863 -17.919 4.502 1.00 0.00 O ATOM 170 CB VAL 1 13 0.117 -15.826 1.895 1.00 0.00 C ATOM 171 CG1 VAL 1 13 -0.939 -15.349 0.896 1.00 0.00 C ATOM 172 CG2 VAL 1 13 0.928 -14.648 2.439 1.00 0.00 C ATOM 0 H VAL 1 13 -0.571 -14.777 4.023 1.00 0.00 H new ATOM 0 HA VAL 1 13 -1.493 -16.962 2.666 1.00 0.00 H new ATOM 0 HB VAL 1 13 0.802 -16.489 1.367 1.00 0.00 H new ATOM 0 HG11 VAL 1 13 -0.456 -14.786 0.098 1.00 0.00 H new ATOM 0 HG12 VAL 1 13 -1.454 -16.211 0.472 1.00 0.00 H new ATOM 0 HG13 VAL 1 13 -1.660 -14.710 1.406 1.00 0.00 H new ATOM 0 HG21 VAL 1 13 1.373 -14.099 1.609 1.00 0.00 H new ATOM 0 HG22 VAL 1 13 0.272 -13.985 3.003 1.00 0.00 H new ATOM 0 HG23 VAL 1 13 1.717 -15.020 3.092 1.00 0.00 H new ATOM 182 N PRO 1 14 0.285 -18.859 2.492 1.00 0.00 N ATOM 183 CA PRO 1 14 1.008 -20.097 2.726 1.00 0.00 C ATOM 184 C PRO 1 14 2.515 -19.892 2.563 1.00 0.00 C ATOM 185 O PRO 1 14 3.290 -20.840 2.674 1.00 0.00 O ATOM 186 CB PRO 1 14 0.432 -21.084 1.723 1.00 0.00 C ATOM 187 CG PRO 1 14 -0.257 -20.244 0.659 1.00 0.00 C ATOM 188 CD PRO 1 14 -0.395 -18.830 1.200 1.00 0.00 C ATOM 0 HA PRO 1 14 0.889 -20.467 3.744 1.00 0.00 H new ATOM 0 HB2 PRO 1 14 1.218 -21.700 1.286 1.00 0.00 H new ATOM 0 HB3 PRO 1 14 -0.274 -21.762 2.203 1.00 0.00 H new ATOM 0 HG2 PRO 1 14 0.324 -20.245 -0.264 1.00 0.00 H new ATOM 0 HG3 PRO 1 14 -1.236 -20.659 0.420 1.00 0.00 H new ATOM 0 HD2 PRO 1 14 0.062 -18.103 0.529 1.00 0.00 H new ATOM 0 HD3 PRO 1 14 -1.442 -18.549 1.310 1.00 0.00 H new ATOM 196 N ALA 1 15 2.886 -18.646 2.305 1.00 0.00 N ATOM 197 CA ALA 1 15 4.286 -18.303 2.127 1.00 0.00 C ATOM 198 C ALA 1 15 4.697 -18.590 0.681 1.00 0.00 C ATOM 199 O ALA 1 15 5.749 -19.177 0.436 1.00 0.00 O ATOM 200 CB ALA 1 15 5.134 -19.077 3.138 1.00 0.00 C ATOM 0 H ALA 1 15 2.240 -17.862 2.215 1.00 0.00 H new ATOM 0 HA ALA 1 15 4.447 -17.241 2.311 1.00 0.00 H new ATOM 0 HB1 ALA 1 15 6.185 -18.820 3.004 1.00 0.00 H new ATOM 0 HB2 ALA 1 15 4.822 -18.816 4.149 1.00 0.00 H new ATOM 0 HB3 ALA 1 15 5.000 -20.147 2.982 1.00 0.00 H new ATOM 206 N LYS 1 16 3.844 -18.161 -0.238 1.00 0.00 N ATOM 207 CA LYS 1 16 4.106 -18.364 -1.653 1.00 0.00 C ATOM 208 C LYS 1 16 2.912 -17.859 -2.466 1.00 0.00 C ATOM 209 O LYS 1 16 2.493 -18.502 -3.426 1.00 0.00 O ATOM 210 CB LYS 1 16 4.462 -19.826 -1.928 1.00 0.00 C ATOM 211 CG LYS 1 16 3.732 -20.759 -0.960 1.00 0.00 C ATOM 212 CD LYS 1 16 3.202 -21.998 -1.685 1.00 0.00 C ATOM 213 CE LYS 1 16 4.175 -23.171 -1.548 1.00 0.00 C ATOM 214 NZ LYS 1 16 3.515 -24.439 -1.932 1.00 0.00 N ATOM 0 H LYS 1 16 2.972 -17.674 -0.031 1.00 0.00 H new ATOM 0 HA LYS 1 16 4.974 -17.784 -1.966 1.00 0.00 H new ATOM 0 HB2 LYS 1 16 4.198 -20.082 -2.954 1.00 0.00 H new ATOM 0 HB3 LYS 1 16 5.539 -19.966 -1.832 1.00 0.00 H new ATOM 0 HG2 LYS 1 16 4.409 -21.063 -0.162 1.00 0.00 H new ATOM 0 HG3 LYS 1 16 2.905 -20.227 -0.491 1.00 0.00 H new ATOM 0 HD2 LYS 1 16 2.231 -22.276 -1.275 1.00 0.00 H new ATOM 0 HD3 LYS 1 16 3.049 -21.769 -2.740 1.00 0.00 H new ATOM 0 HE2 LYS 1 16 5.048 -23.003 -2.179 1.00 0.00 H new ATOM 0 HE3 LYS 1 16 4.532 -23.237 -0.520 1.00 0.00 H new ATOM 0 HZ1 LYS 1 16 4.189 -25.225 -1.833 1.00 0.00 H new ATOM 0 HZ2 LYS 1 16 2.696 -24.605 -1.313 1.00 0.00 H new ATOM 0 HZ3 LYS 1 16 3.196 -24.379 -2.920 1.00 0.00 H new ATOM 228 N ASP 1 17 2.397 -16.710 -2.049 1.00 0.00 N ATOM 229 CA ASP 1 17 1.260 -16.112 -2.726 1.00 0.00 C ATOM 230 C ASP 1 17 1.339 -14.589 -2.597 1.00 0.00 C ATOM 231 O ASP 1 17 0.374 -13.886 -2.896 1.00 0.00 O ATOM 232 CB ASP 1 17 -0.059 -16.572 -2.102 1.00 0.00 C ATOM 233 CG ASP 1 17 -1.319 -16.024 -2.773 1.00 0.00 C ATOM 234 OD1 ASP 1 17 -1.297 -15.916 -4.018 1.00 0.00 O ATOM 235 OD2 ASP 1 17 -2.276 -15.725 -2.026 1.00 0.00 O ATOM 0 H ASP 1 17 2.747 -16.179 -1.251 1.00 0.00 H new ATOM 0 HA ASP 1 17 1.290 -16.420 -3.771 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 -0.096 -17.661 -2.129 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 -0.068 -16.279 -1.052 1.00 0.00 H new ATOM 240 N ARG 1 18 2.496 -14.124 -2.151 1.00 0.00 N ATOM 241 CA ARG 1 18 2.713 -12.698 -1.977 1.00 0.00 C ATOM 242 C ARG 1 18 3.300 -12.091 -3.253 1.00 0.00 C ATOM 243 O ARG 1 18 3.522 -12.798 -4.235 1.00 0.00 O ATOM 244 CB ARG 1 18 3.660 -12.422 -0.808 1.00 0.00 C ATOM 245 CG ARG 1 18 3.289 -13.271 0.410 1.00 0.00 C ATOM 246 CD ARG 1 18 4.535 -13.888 1.049 1.00 0.00 C ATOM 247 NE ARG 1 18 4.150 -14.706 2.221 1.00 0.00 N ATOM 248 CZ ARG 1 18 4.942 -14.918 3.282 1.00 0.00 C ATOM 249 NH1 ARG 1 18 6.166 -14.375 3.323 1.00 0.00 N ATOM 250 NH2 ARG 1 18 4.509 -15.674 4.300 1.00 0.00 N ATOM 0 H ARG 1 18 3.294 -14.710 -1.905 1.00 0.00 H new ATOM 0 HA ARG 1 18 1.747 -12.240 -1.763 1.00 0.00 H new ATOM 0 HB2 ARG 1 18 4.686 -12.638 -1.107 1.00 0.00 H new ATOM 0 HB3 ARG 1 18 3.620 -11.365 -0.545 1.00 0.00 H new ATOM 0 HG2 ARG 1 18 2.768 -12.654 1.142 1.00 0.00 H new ATOM 0 HG3 ARG 1 18 2.600 -14.061 0.111 1.00 0.00 H new ATOM 0 HD2 ARG 1 18 5.060 -14.506 0.320 1.00 0.00 H new ATOM 0 HD3 ARG 1 18 5.225 -13.101 1.355 1.00 0.00 H new ATOM 0 HE ARG 1 18 3.225 -15.135 2.222 1.00 0.00 H new ATOM 0 HH11 ARG 1 18 6.495 -13.800 2.547 1.00 0.00 H new ATOM 0 HH12 ARG 1 18 6.769 -14.536 4.130 1.00 0.00 H new ATOM 0 HH21 ARG 1 18 3.577 -16.088 4.268 1.00 0.00 H new ATOM 0 HH22 ARG 1 18 5.111 -15.836 5.107 1.00 0.00 H new ATOM 264 N VAL 1 19 3.534 -10.788 -3.198 1.00 0.00 N ATOM 265 CA VAL 1 19 4.091 -10.079 -4.337 1.00 0.00 C ATOM 266 C VAL 1 19 5.511 -9.618 -4.001 1.00 0.00 C ATOM 267 O VAL 1 19 6.045 -8.719 -4.648 1.00 0.00 O ATOM 268 CB VAL 1 19 3.167 -8.926 -4.738 1.00 0.00 C ATOM 269 CG1 VAL 1 19 3.455 -8.467 -6.169 1.00 0.00 C ATOM 270 CG2 VAL 1 19 1.698 -9.318 -4.572 1.00 0.00 C ATOM 0 H VAL 1 19 3.348 -10.205 -2.382 1.00 0.00 H new ATOM 0 HA VAL 1 19 4.160 -10.739 -5.202 1.00 0.00 H new ATOM 0 HB VAL 1 19 3.366 -8.088 -4.071 1.00 0.00 H new ATOM 0 HG11 VAL 1 19 2.786 -7.647 -6.430 1.00 0.00 H new ATOM 0 HG12 VAL 1 19 4.489 -8.129 -6.241 1.00 0.00 H new ATOM 0 HG13 VAL 1 19 3.296 -9.298 -6.856 1.00 0.00 H new ATOM 0 HG21 VAL 1 19 1.063 -8.481 -4.864 1.00 0.00 H new ATOM 0 HG22 VAL 1 19 1.477 -10.178 -5.204 1.00 0.00 H new ATOM 0 HG23 VAL 1 19 1.505 -9.574 -3.530 1.00 0.00 H new ATOM 280 N ASP 1 20 6.081 -10.255 -2.989 1.00 0.00 N ATOM 281 CA ASP 1 20 7.428 -9.922 -2.559 1.00 0.00 C ATOM 282 C ASP 1 20 7.656 -8.418 -2.728 1.00 0.00 C ATOM 283 O ASP 1 20 8.116 -7.970 -3.778 1.00 0.00 O ATOM 284 CB ASP 1 20 8.473 -10.656 -3.403 1.00 0.00 C ATOM 285 CG ASP 1 20 9.838 -9.968 -3.484 1.00 0.00 C ATOM 286 OD1 ASP 1 20 10.454 -9.801 -2.409 1.00 0.00 O ATOM 287 OD2 ASP 1 20 10.234 -9.626 -4.619 1.00 0.00 O ATOM 0 H ASP 1 20 5.634 -11.000 -2.454 1.00 0.00 H new ATOM 0 HA ASP 1 20 7.532 -10.220 -1.516 1.00 0.00 H new ATOM 0 HB2 ASP 1 20 8.611 -11.657 -2.994 1.00 0.00 H new ATOM 0 HB3 ASP 1 20 8.083 -10.776 -4.414 1.00 0.00 H new ATOM 292 N CYS 1 21 7.323 -7.681 -1.679 1.00 0.00 N ATOM 293 CA CYS 1 21 7.485 -6.236 -1.698 1.00 0.00 C ATOM 294 C CYS 1 21 8.920 -5.920 -2.123 1.00 0.00 C ATOM 295 O CYS 1 21 9.164 -4.921 -2.799 1.00 0.00 O ATOM 296 CB CYS 1 21 7.139 -5.612 -0.345 1.00 0.00 C ATOM 297 SG CYS 1 21 6.109 -4.101 -0.439 1.00 0.00 S ATOM 0 H CYS 1 21 6.942 -8.056 -0.811 1.00 0.00 H new ATOM 0 HA CYS 1 21 6.791 -5.798 -2.415 1.00 0.00 H new ATOM 0 HB2 CYS 1 21 6.617 -6.354 0.259 1.00 0.00 H new ATOM 0 HB3 CYS 1 21 8.066 -5.372 0.176 1.00 0.00 H new ATOM 302 N GLY 1 22 9.831 -6.788 -1.710 1.00 0.00 N ATOM 303 CA GLY 1 22 11.235 -6.613 -2.039 1.00 0.00 C ATOM 304 C GLY 1 22 11.742 -5.248 -1.571 1.00 0.00 C ATOM 305 O GLY 1 22 12.235 -4.456 -2.374 1.00 0.00 O ATOM 0 H GLY 1 22 9.624 -7.615 -1.150 1.00 0.00 H new ATOM 0 HA2 GLY 1 22 11.823 -7.403 -1.572 1.00 0.00 H new ATOM 0 HA3 GLY 1 22 11.374 -6.707 -3.116 1.00 0.00 H new ATOM 309 N TYR 1 23 11.604 -5.014 -0.274 1.00 0.00 N ATOM 310 CA TYR 1 23 12.043 -3.758 0.310 1.00 0.00 C ATOM 311 C TYR 1 23 13.492 -3.854 0.792 1.00 0.00 C ATOM 312 O TYR 1 23 13.920 -4.898 1.279 1.00 0.00 O ATOM 313 CB TYR 1 23 11.132 -3.514 1.515 1.00 0.00 C ATOM 314 CG TYR 1 23 10.640 -2.070 1.640 1.00 0.00 C ATOM 315 CD1 TYR 1 23 10.307 -1.354 0.508 1.00 0.00 C ATOM 316 CD2 TYR 1 23 10.528 -1.484 2.885 1.00 0.00 C ATOM 317 CE1 TYR 1 23 9.844 0.004 0.626 1.00 0.00 C ATOM 318 CE2 TYR 1 23 10.066 -0.126 3.002 1.00 0.00 C ATOM 319 CZ TYR 1 23 9.745 0.552 1.867 1.00 0.00 C ATOM 320 OH TYR 1 23 9.309 1.835 1.978 1.00 0.00 O ATOM 0 H TYR 1 23 11.195 -5.673 0.389 1.00 0.00 H new ATOM 0 HA TYR 1 23 11.991 -2.954 -0.424 1.00 0.00 H new ATOM 0 HB2 TYR 1 23 10.269 -4.176 1.445 1.00 0.00 H new ATOM 0 HB3 TYR 1 23 11.669 -3.784 2.424 1.00 0.00 H new ATOM 0 HD1 TYR 1 23 10.394 -1.812 -0.466 1.00 0.00 H new ATOM 0 HD2 TYR 1 23 10.787 -2.045 3.771 1.00 0.00 H new ATOM 0 HE1 TYR 1 23 9.581 0.575 -0.252 1.00 0.00 H new ATOM 0 HE2 TYR 1 23 9.976 0.345 3.970 1.00 0.00 H new ATOM 0 HH TYR 1 23 8.894 2.114 1.135 1.00 0.00 H new ATOM 330 N PRO 1 24 14.225 -2.719 0.635 1.00 0.00 N ATOM 331 CA PRO 1 24 15.618 -2.665 1.050 1.00 0.00 C ATOM 332 C PRO 1 24 15.734 -2.571 2.572 1.00 0.00 C ATOM 333 O PRO 1 24 16.817 -2.746 3.128 1.00 0.00 O ATOM 334 CB PRO 1 24 16.194 -1.454 0.334 1.00 0.00 C ATOM 335 CG PRO 1 24 15.001 -0.610 -0.083 1.00 0.00 C ATOM 336 CD PRO 1 24 13.752 -1.463 0.063 1.00 0.00 C ATOM 0 HA PRO 1 24 16.171 -3.567 0.787 1.00 0.00 H new ATOM 0 HB2 PRO 1 24 16.859 -0.893 0.990 1.00 0.00 H new ATOM 0 HB3 PRO 1 24 16.781 -1.756 -0.533 1.00 0.00 H new ATOM 0 HG2 PRO 1 24 14.929 0.282 0.539 1.00 0.00 H new ATOM 0 HG3 PRO 1 24 15.114 -0.272 -1.113 1.00 0.00 H new ATOM 0 HD2 PRO 1 24 13.019 -0.984 0.712 1.00 0.00 H new ATOM 0 HD3 PRO 1 24 13.268 -1.624 -0.900 1.00 0.00 H new ATOM 344 N HIS 1 25 14.602 -2.296 3.204 1.00 0.00 N ATOM 345 CA HIS 1 25 14.563 -2.177 4.652 1.00 0.00 C ATOM 346 C HIS 1 25 13.457 -3.072 5.210 1.00 0.00 C ATOM 347 O HIS 1 25 12.689 -2.651 6.074 1.00 0.00 O ATOM 348 CB HIS 1 25 14.411 -0.713 5.072 1.00 0.00 C ATOM 349 CG HIS 1 25 15.643 -0.128 5.719 1.00 0.00 C ATOM 350 ND1 HIS 1 25 16.338 -0.774 6.728 1.00 0.00 N ATOM 351 CD2 HIS 1 25 16.299 1.046 5.490 1.00 0.00 C ATOM 352 CE1 HIS 1 25 17.362 -0.012 7.083 1.00 0.00 C ATOM 353 NE2 HIS 1 25 17.335 1.116 6.315 1.00 0.00 N ATOM 0 H HIS 1 25 13.705 -2.152 2.740 1.00 0.00 H new ATOM 0 HA HIS 1 25 15.507 -2.520 5.075 1.00 0.00 H new ATOM 0 HB2 HIS 1 25 14.157 -0.119 4.194 1.00 0.00 H new ATOM 0 HB3 HIS 1 25 13.575 -0.630 5.766 1.00 0.00 H new ATOM 0 HD2 HIS 1 25 16.022 1.792 4.760 1.00 0.00 H new ATOM 0 HE1 HIS 1 25 18.090 -0.243 7.846 1.00 0.00 H new ATOM 0 HE2 HIS 1 25 18.002 1.886 6.367 1.00 0.00 H new ATOM 362 N VAL 1 26 13.410 -4.292 4.695 1.00 0.00 N ATOM 363 CA VAL 1 26 12.410 -5.252 5.132 1.00 0.00 C ATOM 364 C VAL 1 26 12.595 -5.530 6.625 1.00 0.00 C ATOM 365 O VAL 1 26 13.658 -5.977 7.050 1.00 0.00 O ATOM 366 CB VAL 1 26 12.488 -6.516 4.275 1.00 0.00 C ATOM 367 CG1 VAL 1 26 13.943 -6.902 3.997 1.00 0.00 C ATOM 368 CG2 VAL 1 26 11.731 -7.671 4.932 1.00 0.00 C ATOM 0 H VAL 1 26 14.049 -4.638 3.979 1.00 0.00 H new ATOM 0 HA VAL 1 26 11.407 -4.846 4.998 1.00 0.00 H new ATOM 0 HB VAL 1 26 12.010 -6.302 3.319 1.00 0.00 H new ATOM 0 HG11 VAL 1 26 13.970 -7.804 3.386 1.00 0.00 H new ATOM 0 HG12 VAL 1 26 14.440 -6.090 3.467 1.00 0.00 H new ATOM 0 HG13 VAL 1 26 14.457 -7.088 4.940 1.00 0.00 H new ATOM 0 HG21 VAL 1 26 11.802 -8.558 4.302 1.00 0.00 H new ATOM 0 HG22 VAL 1 26 12.167 -7.883 5.908 1.00 0.00 H new ATOM 0 HG23 VAL 1 26 10.683 -7.396 5.055 1.00 0.00 H new ATOM 378 N THR 1 27 11.542 -5.253 7.381 1.00 0.00 N ATOM 379 CA THR 1 27 11.574 -5.467 8.818 1.00 0.00 C ATOM 380 C THR 1 27 10.174 -5.304 9.414 1.00 0.00 C ATOM 381 O THR 1 27 9.336 -4.599 8.853 1.00 0.00 O ATOM 382 CB THR 1 27 12.606 -4.508 9.416 1.00 0.00 C ATOM 383 OG1 THR 1 27 13.464 -5.352 10.178 1.00 0.00 O ATOM 384 CG2 THR 1 27 11.994 -3.564 10.453 1.00 0.00 C ATOM 0 H THR 1 27 10.661 -4.882 7.025 1.00 0.00 H new ATOM 0 HA THR 1 27 11.878 -6.486 9.059 1.00 0.00 H new ATOM 0 HB THR 1 27 13.064 -3.924 8.618 1.00 0.00 H new ATOM 0 HG1 THR 1 27 14.164 -4.812 10.599 1.00 0.00 H new ATOM 0 HG21 THR 1 27 12.768 -2.905 10.846 1.00 0.00 H new ATOM 0 HG22 THR 1 27 11.212 -2.966 9.984 1.00 0.00 H new ATOM 0 HG23 THR 1 27 11.566 -4.147 11.268 1.00 0.00 H new ATOM 392 N PRO 1 28 9.960 -5.984 10.571 1.00 0.00 N ATOM 393 CA PRO 1 28 8.675 -5.920 11.249 1.00 0.00 C ATOM 394 C PRO 1 28 8.499 -4.579 11.963 1.00 0.00 C ATOM 395 O PRO 1 28 8.294 -4.540 13.175 1.00 0.00 O ATOM 396 CB PRO 1 28 8.675 -7.106 12.201 1.00 0.00 C ATOM 397 CG PRO 1 28 10.130 -7.514 12.359 1.00 0.00 C ATOM 398 CD PRO 1 28 10.929 -6.828 11.263 1.00 0.00 C ATOM 0 HA PRO 1 28 7.831 -5.978 10.561 1.00 0.00 H new ATOM 0 HB2 PRO 1 28 8.239 -6.835 13.162 1.00 0.00 H new ATOM 0 HB3 PRO 1 28 8.080 -7.927 11.801 1.00 0.00 H new ATOM 0 HG2 PRO 1 28 10.503 -7.224 13.341 1.00 0.00 H new ATOM 0 HG3 PRO 1 28 10.233 -8.597 12.286 1.00 0.00 H new ATOM 0 HD2 PRO 1 28 11.744 -6.236 11.679 1.00 0.00 H new ATOM 0 HD3 PRO 1 28 11.376 -7.555 10.585 1.00 0.00 H new ATOM 406 N LYS 1 29 8.584 -3.512 11.182 1.00 0.00 N ATOM 407 CA LYS 1 29 8.436 -2.173 11.725 1.00 0.00 C ATOM 408 C LYS 1 29 8.556 -1.152 10.592 1.00 0.00 C ATOM 409 O LYS 1 29 8.001 -0.057 10.676 1.00 0.00 O ATOM 410 CB LYS 1 29 9.429 -1.945 12.866 1.00 0.00 C ATOM 411 CG LYS 1 29 9.216 -0.574 13.512 1.00 0.00 C ATOM 412 CD LYS 1 29 9.245 -0.676 15.039 1.00 0.00 C ATOM 413 CE LYS 1 29 7.865 -1.038 15.590 1.00 0.00 C ATOM 414 NZ LYS 1 29 7.601 -2.485 15.419 1.00 0.00 N ATOM 0 H LYS 1 29 8.754 -3.548 10.177 1.00 0.00 H new ATOM 0 HA LYS 1 29 7.447 -2.047 12.165 1.00 0.00 H new ATOM 0 HB2 LYS 1 29 9.312 -2.727 13.616 1.00 0.00 H new ATOM 0 HB3 LYS 1 29 10.448 -2.018 12.486 1.00 0.00 H new ATOM 0 HG2 LYS 1 29 9.991 0.115 13.175 1.00 0.00 H new ATOM 0 HG3 LYS 1 29 8.260 -0.161 13.190 1.00 0.00 H new ATOM 0 HD2 LYS 1 29 9.971 -1.430 15.343 1.00 0.00 H new ATOM 0 HD3 LYS 1 29 9.573 0.272 15.464 1.00 0.00 H new ATOM 0 HE2 LYS 1 29 7.808 -0.774 16.646 1.00 0.00 H new ATOM 0 HE3 LYS 1 29 7.098 -0.459 15.075 1.00 0.00 H new ATOM 0 HZ1 LYS 1 29 6.837 -2.777 16.062 1.00 0.00 H new ATOM 0 HZ2 LYS 1 29 7.317 -2.672 14.436 1.00 0.00 H new ATOM 0 HZ3 LYS 1 29 8.463 -3.024 15.639 1.00 0.00 H new ATOM 428 N GLU 1 30 9.284 -1.547 9.557 1.00 0.00 N ATOM 429 CA GLU 1 30 9.485 -0.678 8.410 1.00 0.00 C ATOM 430 C GLU 1 30 8.498 -1.037 7.296 1.00 0.00 C ATOM 431 O GLU 1 30 7.870 -0.156 6.711 1.00 0.00 O ATOM 432 CB GLU 1 30 10.929 -0.756 7.909 1.00 0.00 C ATOM 433 CG GLU 1 30 11.725 0.477 8.341 1.00 0.00 C ATOM 434 CD GLU 1 30 12.445 0.227 9.668 1.00 0.00 C ATOM 435 OE1 GLU 1 30 11.861 -0.495 10.504 1.00 0.00 O ATOM 436 OE2 GLU 1 30 13.564 0.762 9.816 1.00 0.00 O ATOM 0 H GLU 1 30 9.741 -2.456 9.489 1.00 0.00 H new ATOM 0 HA GLU 1 30 9.298 0.350 8.719 1.00 0.00 H new ATOM 0 HB2 GLU 1 30 11.405 -1.656 8.299 1.00 0.00 H new ATOM 0 HB3 GLU 1 30 10.937 -0.836 6.822 1.00 0.00 H new ATOM 0 HG2 GLU 1 30 12.453 0.733 7.571 1.00 0.00 H new ATOM 0 HG3 GLU 1 30 11.054 1.330 8.442 1.00 0.00 H new ATOM 443 N CYS 1 31 8.394 -2.332 7.036 1.00 0.00 N ATOM 444 CA CYS 1 31 7.495 -2.817 6.001 1.00 0.00 C ATOM 445 C CYS 1 31 6.061 -2.486 6.418 1.00 0.00 C ATOM 446 O CYS 1 31 5.323 -1.850 5.668 1.00 0.00 O ATOM 447 CB CYS 1 31 7.684 -4.313 5.744 1.00 0.00 C ATOM 448 SG CYS 1 31 8.985 -4.725 4.525 1.00 0.00 S ATOM 0 H CYS 1 31 8.916 -3.060 7.523 1.00 0.00 H new ATOM 0 HA CYS 1 31 7.721 -2.322 5.057 1.00 0.00 H new ATOM 0 HB2 CYS 1 31 7.923 -4.802 6.688 1.00 0.00 H new ATOM 0 HB3 CYS 1 31 6.738 -4.730 5.399 1.00 0.00 H new ATOM 453 N ASN 1 32 5.708 -2.934 7.615 1.00 0.00 N ATOM 454 CA ASN 1 32 4.375 -2.694 8.140 1.00 0.00 C ATOM 455 C ASN 1 32 4.170 -1.189 8.331 1.00 0.00 C ATOM 456 O ASN 1 32 3.078 -0.747 8.685 1.00 0.00 O ATOM 457 CB ASN 1 32 4.187 -3.371 9.499 1.00 0.00 C ATOM 458 CG ASN 1 32 3.497 -4.728 9.345 1.00 0.00 C ATOM 459 OD1 ASN 1 32 4.161 -5.589 8.580 1.00 0.00 O flip ATOM 460 ND2 ASN 1 32 2.430 -4.976 9.883 1.00 0.00 N flip ATOM 0 H ASN 1 32 6.322 -3.462 8.235 1.00 0.00 H new ATOM 0 HA ASN 1 32 3.655 -3.103 7.431 1.00 0.00 H new ATOM 0 HB2 ASN 1 32 5.156 -3.504 9.980 1.00 0.00 H new ATOM 0 HB3 ASN 1 32 3.594 -2.729 10.150 1.00 0.00 H new ATOM 0 HD21 ASN 1 32 1.972 -4.269 10.458 1.00 0.00 H new ATOM 0 HD22 ASN 1 32 1.996 -5.890 9.757 1.00 0.00 H new ATOM 467 N ASN 1 33 5.238 -0.443 8.088 1.00 0.00 N ATOM 468 CA ASN 1 33 5.189 1.002 8.228 1.00 0.00 C ATOM 469 C ASN 1 33 5.206 1.646 6.840 1.00 0.00 C ATOM 470 O ASN 1 33 4.687 2.746 6.657 1.00 0.00 O ATOM 471 CB ASN 1 33 6.401 1.521 9.005 1.00 0.00 C ATOM 472 CG ASN 1 33 6.457 3.049 8.977 1.00 0.00 C ATOM 473 OD1 ASN 1 33 5.524 3.738 9.356 1.00 0.00 O ATOM 474 ND2 ASN 1 33 7.600 3.541 8.506 1.00 0.00 N ATOM 0 H ASN 1 33 6.142 -0.813 7.795 1.00 0.00 H new ATOM 0 HA ASN 1 33 4.277 1.258 8.768 1.00 0.00 H new ATOM 0 HB2 ASN 1 33 6.351 1.174 10.037 1.00 0.00 H new ATOM 0 HB3 ASN 1 33 7.315 1.112 8.575 1.00 0.00 H new ATOM 0 HD21 ASN 1 33 7.734 4.550 8.446 1.00 0.00 H new ATOM 0 HD22 ASN 1 33 8.342 2.909 8.205 1.00 0.00 H new ATOM 481 N ARG 1 34 5.807 0.932 5.900 1.00 0.00 N ATOM 482 CA ARG 1 34 5.897 1.421 4.535 1.00 0.00 C ATOM 483 C ARG 1 34 4.633 1.055 3.755 1.00 0.00 C ATOM 484 O ARG 1 34 4.227 1.780 2.847 1.00 0.00 O ATOM 485 CB ARG 1 34 7.117 0.834 3.820 1.00 0.00 C ATOM 486 CG ARG 1 34 6.796 -0.538 3.225 1.00 0.00 C ATOM 487 CD ARG 1 34 6.141 -0.399 1.849 1.00 0.00 C ATOM 488 NE ARG 1 34 7.053 -0.905 0.799 1.00 0.00 N ATOM 489 CZ ARG 1 34 6.728 -1.004 -0.497 1.00 0.00 C ATOM 490 NH1 ARG 1 34 5.508 -0.631 -0.911 1.00 0.00 N ATOM 491 NH2 ARG 1 34 7.620 -1.475 -1.378 1.00 0.00 N ATOM 0 H ARG 1 34 6.236 0.020 6.056 1.00 0.00 H new ATOM 0 HA ARG 1 34 6.000 2.505 4.577 1.00 0.00 H new ATOM 0 HB2 ARG 1 34 7.440 1.511 3.029 1.00 0.00 H new ATOM 0 HB3 ARG 1 34 7.946 0.745 4.522 1.00 0.00 H new ATOM 0 HG2 ARG 1 34 7.711 -1.124 3.139 1.00 0.00 H new ATOM 0 HG3 ARG 1 34 6.131 -1.082 3.895 1.00 0.00 H new ATOM 0 HD2 ARG 1 34 5.203 -0.954 1.826 1.00 0.00 H new ATOM 0 HD3 ARG 1 34 5.897 0.646 1.657 1.00 0.00 H new ATOM 0 HE ARG 1 34 7.989 -1.197 1.080 1.00 0.00 H new ATOM 0 HH11 ARG 1 34 4.829 -0.273 -0.239 1.00 0.00 H new ATOM 0 HH12 ARG 1 34 5.259 -0.706 -1.897 1.00 0.00 H new ATOM 0 HH21 ARG 1 34 8.548 -1.759 -1.062 1.00 0.00 H new ATOM 0 HH22 ARG 1 34 7.372 -1.550 -2.364 1.00 0.00 H new ATOM 505 N GLY 1 35 4.046 -0.070 4.136 1.00 0.00 N ATOM 506 CA GLY 1 35 2.837 -0.541 3.484 1.00 0.00 C ATOM 507 C GLY 1 35 2.981 -2.001 3.047 1.00 0.00 C ATOM 508 O GLY 1 35 2.291 -2.451 2.134 1.00 0.00 O ATOM 0 H GLY 1 35 4.386 -0.669 4.888 1.00 0.00 H new ATOM 0 HA2 GLY 1 35 1.991 -0.443 4.165 1.00 0.00 H new ATOM 0 HA3 GLY 1 35 2.621 0.082 2.616 1.00 0.00 H new ATOM 512 N CYS 1 36 3.883 -2.700 3.721 1.00 0.00 N ATOM 513 CA CYS 1 36 4.127 -4.099 3.414 1.00 0.00 C ATOM 514 C CYS 1 36 3.864 -4.921 4.679 1.00 0.00 C ATOM 515 O CYS 1 36 3.574 -4.364 5.736 1.00 0.00 O ATOM 516 CB CYS 1 36 5.542 -4.321 2.874 1.00 0.00 C ATOM 517 SG CYS 1 36 5.905 -3.462 1.300 1.00 0.00 S ATOM 0 H CYS 1 36 4.453 -2.324 4.478 1.00 0.00 H new ATOM 0 HA CYS 1 36 3.451 -4.424 2.623 1.00 0.00 H new ATOM 0 HB2 CYS 1 36 6.259 -3.991 3.626 1.00 0.00 H new ATOM 0 HB3 CYS 1 36 5.698 -5.390 2.733 1.00 0.00 H new ATOM 522 N CYS 1 37 3.973 -6.232 4.526 1.00 0.00 N ATOM 523 CA CYS 1 37 3.751 -7.136 5.641 1.00 0.00 C ATOM 524 C CYS 1 37 5.005 -7.994 5.823 1.00 0.00 C ATOM 525 O CYS 1 37 5.436 -8.674 4.892 1.00 0.00 O ATOM 526 CB CYS 1 37 2.499 -7.992 5.436 1.00 0.00 C ATOM 527 SG CYS 1 37 1.745 -8.631 6.975 1.00 0.00 S ATOM 0 H CYS 1 37 4.212 -6.690 3.647 1.00 0.00 H new ATOM 0 HA CYS 1 37 3.572 -6.559 6.548 1.00 0.00 H new ATOM 0 HB2 CYS 1 37 1.755 -7.400 4.902 1.00 0.00 H new ATOM 0 HB3 CYS 1 37 2.754 -8.836 4.796 1.00 0.00 H new ATOM 532 N PHE 1 38 5.555 -7.936 7.026 1.00 0.00 N ATOM 533 CA PHE 1 38 6.750 -8.699 7.341 1.00 0.00 C ATOM 534 C PHE 1 38 6.390 -10.082 7.886 1.00 0.00 C ATOM 535 O PHE 1 38 5.709 -10.193 8.905 1.00 0.00 O ATOM 536 CB PHE 1 38 7.508 -7.919 8.418 1.00 0.00 C ATOM 537 CG PHE 1 38 8.898 -8.479 8.729 1.00 0.00 C ATOM 538 CD1 PHE 1 38 9.965 -8.110 7.972 1.00 0.00 C ATOM 539 CD2 PHE 1 38 9.064 -9.347 9.764 1.00 0.00 C ATOM 540 CE1 PHE 1 38 11.255 -8.630 8.262 1.00 0.00 C ATOM 541 CE2 PHE 1 38 10.354 -9.866 10.053 1.00 0.00 C ATOM 542 CZ PHE 1 38 11.422 -9.497 9.296 1.00 0.00 C ATOM 0 H PHE 1 38 5.195 -7.372 7.795 1.00 0.00 H new ATOM 0 HA PHE 1 38 7.350 -8.838 6.442 1.00 0.00 H new ATOM 0 HB2 PHE 1 38 7.608 -6.882 8.098 1.00 0.00 H new ATOM 0 HB3 PHE 1 38 6.916 -7.914 9.333 1.00 0.00 H new ATOM 0 HD1 PHE 1 38 9.832 -7.422 7.150 1.00 0.00 H new ATOM 0 HD2 PHE 1 38 8.216 -9.641 10.365 1.00 0.00 H new ATOM 0 HE1 PHE 1 38 12.103 -8.337 7.661 1.00 0.00 H new ATOM 0 HE2 PHE 1 38 10.487 -10.554 10.875 1.00 0.00 H new ATOM 0 HZ PHE 1 38 12.403 -9.893 9.516 1.00 0.00 H new ATOM 552 N ASP 1 39 6.865 -11.101 7.186 1.00 0.00 N ATOM 553 CA ASP 1 39 6.602 -12.473 7.588 1.00 0.00 C ATOM 554 C ASP 1 39 7.668 -12.919 8.591 1.00 0.00 C ATOM 555 O ASP 1 39 7.444 -12.877 9.800 1.00 0.00 O ATOM 556 CB ASP 1 39 6.656 -13.419 6.388 1.00 0.00 C ATOM 557 CG ASP 1 39 6.479 -14.901 6.723 1.00 0.00 C ATOM 558 OD1 ASP 1 39 5.351 -15.263 7.121 1.00 0.00 O ATOM 559 OD2 ASP 1 39 7.478 -15.639 6.576 1.00 0.00 O ATOM 0 H ASP 1 39 7.431 -11.005 6.343 1.00 0.00 H new ATOM 0 HA ASP 1 39 5.607 -12.510 8.031 1.00 0.00 H new ATOM 0 HB2 ASP 1 39 5.881 -13.127 5.680 1.00 0.00 H new ATOM 0 HB3 ASP 1 39 7.614 -13.288 5.884 1.00 0.00 H new ATOM 564 N SER 1 40 8.803 -13.338 8.052 1.00 0.00 N ATOM 565 CA SER 1 40 9.904 -13.792 8.885 1.00 0.00 C ATOM 566 C SER 1 40 9.734 -15.276 9.213 1.00 0.00 C ATOM 567 O SER 1 40 10.670 -15.925 9.676 1.00 0.00 O ATOM 568 CB SER 1 40 9.997 -12.970 10.171 1.00 0.00 C ATOM 569 OG SER 1 40 11.347 -12.690 10.530 1.00 0.00 O ATOM 0 H SER 1 40 8.984 -13.373 7.049 1.00 0.00 H new ATOM 0 HA SER 1 40 10.832 -13.654 8.331 1.00 0.00 H new ATOM 0 HB2 SER 1 40 9.455 -12.033 10.042 1.00 0.00 H new ATOM 0 HB3 SER 1 40 9.511 -13.511 10.983 1.00 0.00 H new ATOM 0 HG SER 1 40 11.554 -11.755 10.321 1.00 0.00 H new ATOM 575 N ARG 1 41 8.530 -15.771 8.961 1.00 0.00 N ATOM 576 CA ARG 1 41 8.225 -17.167 9.225 1.00 0.00 C ATOM 577 C ARG 1 41 9.070 -18.074 8.328 1.00 0.00 C ATOM 578 O ARG 1 41 9.634 -19.062 8.794 1.00 0.00 O ATOM 579 CB ARG 1 41 6.743 -17.461 8.986 1.00 0.00 C ATOM 580 CG ARG 1 41 5.858 -16.569 9.858 1.00 0.00 C ATOM 581 CD ARG 1 41 4.647 -17.342 10.384 1.00 0.00 C ATOM 582 NE ARG 1 41 5.068 -18.279 11.449 1.00 0.00 N ATOM 583 CZ ARG 1 41 4.315 -19.290 11.902 1.00 0.00 C ATOM 584 NH1 ARG 1 41 3.096 -19.501 11.385 1.00 0.00 N ATOM 585 NH2 ARG 1 41 4.778 -20.090 12.872 1.00 0.00 N ATOM 0 H ARG 1 41 7.755 -15.230 8.577 1.00 0.00 H new ATOM 0 HA ARG 1 41 8.459 -17.366 10.271 1.00 0.00 H new ATOM 0 HB2 ARG 1 41 6.502 -17.302 7.935 1.00 0.00 H new ATOM 0 HB3 ARG 1 41 6.537 -18.509 9.205 1.00 0.00 H new ATOM 0 HG2 ARG 1 41 6.439 -16.183 10.696 1.00 0.00 H new ATOM 0 HG3 ARG 1 41 5.521 -15.709 9.280 1.00 0.00 H new ATOM 0 HD2 ARG 1 41 3.903 -16.647 10.773 1.00 0.00 H new ATOM 0 HD3 ARG 1 41 4.175 -17.892 9.570 1.00 0.00 H new ATOM 0 HE ARG 1 41 5.990 -18.147 11.865 1.00 0.00 H new ATOM 0 HH11 ARG 1 41 2.743 -18.892 10.647 1.00 0.00 H new ATOM 0 HH12 ARG 1 41 2.522 -20.271 11.730 1.00 0.00 H new ATOM 0 HH21 ARG 1 41 5.705 -19.930 13.266 1.00 0.00 H new ATOM 0 HH22 ARG 1 41 4.204 -20.859 13.216 1.00 0.00 H new ATOM 599 N ILE 1 42 9.129 -17.706 7.056 1.00 0.00 N ATOM 600 CA ILE 1 42 9.895 -18.473 6.090 1.00 0.00 C ATOM 601 C ILE 1 42 10.949 -17.569 5.447 1.00 0.00 C ATOM 602 O ILE 1 42 10.611 -16.595 4.776 1.00 0.00 O ATOM 603 CB ILE 1 42 8.963 -19.145 5.079 1.00 0.00 C ATOM 604 CG1 ILE 1 42 7.605 -19.458 5.711 1.00 0.00 C ATOM 605 CG2 ILE 1 42 9.615 -20.390 4.477 1.00 0.00 C ATOM 606 CD1 ILE 1 42 6.856 -20.520 4.902 1.00 0.00 C ATOM 0 H ILE 1 42 8.658 -16.886 6.673 1.00 0.00 H new ATOM 0 HA ILE 1 42 10.429 -19.284 6.585 1.00 0.00 H new ATOM 0 HB ILE 1 42 8.785 -18.447 4.261 1.00 0.00 H new ATOM 0 HG12 ILE 1 42 7.748 -19.808 6.733 1.00 0.00 H new ATOM 0 HG13 ILE 1 42 7.007 -18.548 5.766 1.00 0.00 H new ATOM 0 HG21 ILE 1 42 8.932 -20.849 3.762 1.00 0.00 H new ATOM 0 HG22 ILE 1 42 10.537 -20.108 3.969 1.00 0.00 H new ATOM 0 HG23 ILE 1 42 9.841 -21.102 5.271 1.00 0.00 H new ATOM 0 HD11 ILE 1 42 5.894 -20.724 5.372 1.00 0.00 H new ATOM 0 HD12 ILE 1 42 6.694 -20.157 3.887 1.00 0.00 H new ATOM 0 HD13 ILE 1 42 7.446 -21.436 4.870 1.00 0.00 H new ATOM 618 N PRO 1 43 12.239 -17.933 5.682 1.00 0.00 N ATOM 619 CA PRO 1 43 13.344 -17.166 5.134 1.00 0.00 C ATOM 620 C PRO 1 43 13.505 -17.431 3.635 1.00 0.00 C ATOM 621 O PRO 1 43 14.292 -16.764 2.964 1.00 0.00 O ATOM 622 CB PRO 1 43 14.557 -17.590 5.946 1.00 0.00 C ATOM 623 CG PRO 1 43 14.181 -18.908 6.601 1.00 0.00 C ATOM 624 CD PRO 1 43 12.677 -19.080 6.472 1.00 0.00 C ATOM 0 HA PRO 1 43 13.188 -16.090 5.208 1.00 0.00 H new ATOM 0 HB2 PRO 1 43 15.433 -17.707 5.308 1.00 0.00 H new ATOM 0 HB3 PRO 1 43 14.807 -16.839 6.695 1.00 0.00 H new ATOM 0 HG2 PRO 1 43 14.702 -19.736 6.120 1.00 0.00 H new ATOM 0 HG3 PRO 1 43 14.477 -18.911 7.650 1.00 0.00 H new ATOM 0 HD2 PRO 1 43 12.427 -20.019 5.979 1.00 0.00 H new ATOM 0 HD3 PRO 1 43 12.195 -19.095 7.449 1.00 0.00 H new ATOM 632 N GLY 1 44 12.748 -18.406 3.154 1.00 0.00 N ATOM 633 CA GLY 1 44 12.798 -18.767 1.748 1.00 0.00 C ATOM 634 C GLY 1 44 11.720 -18.027 0.953 1.00 0.00 C ATOM 635 O GLY 1 44 11.640 -18.161 -0.267 1.00 0.00 O ATOM 0 H GLY 1 44 12.097 -18.957 3.713 1.00 0.00 H new ATOM 0 HA2 GLY 1 44 13.781 -18.529 1.343 1.00 0.00 H new ATOM 0 HA3 GLY 1 44 12.660 -19.843 1.640 1.00 0.00 H new ATOM 639 N VAL 1 45 10.918 -17.261 1.678 1.00 0.00 N ATOM 640 CA VAL 1 45 9.848 -16.498 1.056 1.00 0.00 C ATOM 641 C VAL 1 45 10.069 -15.008 1.321 1.00 0.00 C ATOM 642 O VAL 1 45 11.024 -14.629 1.998 1.00 0.00 O ATOM 643 CB VAL 1 45 8.491 -16.999 1.555 1.00 0.00 C ATOM 644 CG1 VAL 1 45 8.524 -18.507 1.813 1.00 0.00 C ATOM 645 CG2 VAL 1 45 8.051 -16.237 2.806 1.00 0.00 C ATOM 0 H VAL 1 45 10.987 -17.152 2.690 1.00 0.00 H new ATOM 0 HA VAL 1 45 9.855 -16.640 -0.025 1.00 0.00 H new ATOM 0 HB VAL 1 45 7.756 -16.810 0.773 1.00 0.00 H new ATOM 0 HG11 VAL 1 45 7.547 -18.837 2.167 1.00 0.00 H new ATOM 0 HG12 VAL 1 45 8.770 -19.029 0.888 1.00 0.00 H new ATOM 0 HG13 VAL 1 45 9.278 -18.731 2.568 1.00 0.00 H new ATOM 0 HG21 VAL 1 45 7.084 -16.613 3.140 1.00 0.00 H new ATOM 0 HG22 VAL 1 45 8.788 -16.379 3.597 1.00 0.00 H new ATOM 0 HG23 VAL 1 45 7.967 -15.175 2.575 1.00 0.00 H new ATOM 655 N PRO 1 46 9.148 -14.181 0.759 1.00 0.00 N ATOM 656 CA PRO 1 46 9.233 -12.740 0.927 1.00 0.00 C ATOM 657 C PRO 1 46 8.797 -12.326 2.334 1.00 0.00 C ATOM 658 O PRO 1 46 7.638 -12.505 2.707 1.00 0.00 O ATOM 659 CB PRO 1 46 8.345 -12.164 -0.164 1.00 0.00 C ATOM 660 CG PRO 1 46 7.436 -13.298 -0.605 1.00 0.00 C ATOM 661 CD PRO 1 46 8.004 -14.595 -0.050 1.00 0.00 C ATOM 0 HA PRO 1 46 10.252 -12.364 0.832 1.00 0.00 H new ATOM 0 HB2 PRO 1 46 7.764 -11.321 0.210 1.00 0.00 H new ATOM 0 HB3 PRO 1 46 8.941 -11.795 -0.998 1.00 0.00 H new ATOM 0 HG2 PRO 1 46 6.422 -13.138 -0.239 1.00 0.00 H new ATOM 0 HG3 PRO 1 46 7.380 -13.341 -1.693 1.00 0.00 H new ATOM 0 HD2 PRO 1 46 7.265 -15.126 0.551 1.00 0.00 H new ATOM 0 HD3 PRO 1 46 8.308 -15.269 -0.851 1.00 0.00 H new ATOM 669 N TRP 1 47 9.749 -11.781 3.077 1.00 0.00 N ATOM 670 CA TRP 1 47 9.477 -11.339 4.434 1.00 0.00 C ATOM 671 C TRP 1 47 8.990 -9.891 4.373 1.00 0.00 C ATOM 672 O TRP 1 47 9.171 -9.129 5.321 1.00 0.00 O ATOM 673 CB TRP 1 47 10.709 -11.517 5.325 1.00 0.00 C ATOM 674 CG TRP 1 47 11.818 -12.361 4.692 1.00 0.00 C ATOM 675 CD1 TRP 1 47 11.846 -13.689 4.517 1.00 0.00 C ATOM 676 CD2 TRP 1 47 13.066 -11.875 4.154 1.00 0.00 C ATOM 677 NE1 TRP 1 47 13.017 -14.094 3.908 1.00 0.00 N ATOM 678 CE2 TRP 1 47 13.782 -12.956 3.681 1.00 0.00 C ATOM 679 CE3 TRP 1 47 13.573 -10.566 4.070 1.00 0.00 C ATOM 680 CZ2 TRP 1 47 15.046 -12.838 3.090 1.00 0.00 C ATOM 681 CZ3 TRP 1 47 14.837 -10.466 3.478 1.00 0.00 C ATOM 682 CH2 TRP 1 47 15.571 -11.543 2.996 1.00 0.00 C ATOM 0 H TRP 1 47 10.709 -11.636 2.765 1.00 0.00 H new ATOM 0 HA TRP 1 47 8.696 -11.949 4.888 1.00 0.00 H new ATOM 0 HB2 TRP 1 47 11.111 -10.534 5.573 1.00 0.00 H new ATOM 0 HB3 TRP 1 47 10.403 -11.982 6.262 1.00 0.00 H new ATOM 0 HD1 TRP 1 47 11.053 -14.358 4.815 1.00 0.00 H new ATOM 0 HE1 TRP 1 47 13.273 -15.052 3.669 1.00 0.00 H new ATOM 0 HE3 TRP 1 47 13.030 -9.706 4.434 1.00 0.00 H new ATOM 0 HZ2 TRP 1 47 15.587 -13.699 2.726 1.00 0.00 H new ATOM 0 HZ3 TRP 1 47 15.273 -9.482 3.389 1.00 0.00 H new ATOM 0 HH2 TRP 1 47 16.542 -11.382 2.551 1.00 0.00 H new ATOM 693 N CYS 1 48 8.380 -9.552 3.245 1.00 0.00 N ATOM 694 CA CYS 1 48 7.865 -8.209 3.047 1.00 0.00 C ATOM 695 C CYS 1 48 7.031 -8.199 1.764 1.00 0.00 C ATOM 696 O CYS 1 48 7.578 -8.272 0.664 1.00 0.00 O ATOM 697 CB CYS 1 48 8.989 -7.172 3.006 1.00 0.00 C ATOM 698 SG CYS 1 48 8.427 -5.432 2.922 1.00 0.00 S ATOM 0 H CYS 1 48 8.232 -10.186 2.460 1.00 0.00 H new ATOM 0 HA CYS 1 48 7.234 -7.930 3.891 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 9.611 -7.296 3.893 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 9.622 -7.377 2.142 1.00 0.00 H new ATOM 703 N PHE 1 49 5.723 -8.106 1.946 1.00 0.00 N ATOM 704 CA PHE 1 49 4.809 -8.084 0.817 1.00 0.00 C ATOM 705 C PHE 1 49 3.632 -7.143 1.081 1.00 0.00 C ATOM 706 O PHE 1 49 3.650 -6.376 2.042 1.00 0.00 O ATOM 707 CB PHE 1 49 4.277 -9.510 0.644 1.00 0.00 C ATOM 708 CG PHE 1 49 4.239 -10.320 1.942 1.00 0.00 C ATOM 709 CD1 PHE 1 49 5.400 -10.683 2.551 1.00 0.00 C ATOM 710 CD2 PHE 1 49 3.045 -10.678 2.484 1.00 0.00 C ATOM 711 CE1 PHE 1 49 5.364 -11.436 3.754 1.00 0.00 C ATOM 712 CE2 PHE 1 49 3.009 -11.431 3.688 1.00 0.00 C ATOM 713 CZ PHE 1 49 4.169 -11.794 4.298 1.00 0.00 C ATOM 0 H PHE 1 49 5.273 -8.045 2.860 1.00 0.00 H new ATOM 0 HA PHE 1 49 5.328 -7.731 -0.074 1.00 0.00 H new ATOM 0 HB2 PHE 1 49 3.271 -9.464 0.227 1.00 0.00 H new ATOM 0 HB3 PHE 1 49 4.899 -10.034 -0.081 1.00 0.00 H new ATOM 0 HD1 PHE 1 49 6.348 -10.399 2.120 1.00 0.00 H new ATOM 0 HD2 PHE 1 49 2.124 -10.390 1.999 1.00 0.00 H new ATOM 0 HE1 PHE 1 49 6.285 -11.725 4.238 1.00 0.00 H new ATOM 0 HE2 PHE 1 49 2.060 -11.715 4.119 1.00 0.00 H new ATOM 0 HZ PHE 1 49 4.142 -12.366 5.214 1.00 0.00 H new ATOM 723 N LYS 1 50 2.638 -7.232 0.210 1.00 0.00 N ATOM 724 CA LYS 1 50 1.455 -6.397 0.337 1.00 0.00 C ATOM 725 C LYS 1 50 0.216 -7.287 0.436 1.00 0.00 C ATOM 726 O LYS 1 50 -0.600 -7.329 -0.483 1.00 0.00 O ATOM 727 CB LYS 1 50 1.392 -5.381 -0.805 1.00 0.00 C ATOM 728 CG LYS 1 50 1.565 -6.068 -2.161 1.00 0.00 C ATOM 729 CD LYS 1 50 2.868 -5.632 -2.835 1.00 0.00 C ATOM 730 CE LYS 1 50 2.965 -4.106 -2.904 1.00 0.00 C ATOM 731 NZ LYS 1 50 3.132 -3.661 -4.306 1.00 0.00 N ATOM 0 H LYS 1 50 2.627 -7.869 -0.586 1.00 0.00 H new ATOM 0 HA LYS 1 50 1.500 -5.810 1.254 1.00 0.00 H new ATOM 0 HB2 LYS 1 50 0.436 -4.857 -0.778 1.00 0.00 H new ATOM 0 HB3 LYS 1 50 2.171 -4.630 -0.672 1.00 0.00 H new ATOM 0 HG2 LYS 1 50 1.565 -7.150 -2.027 1.00 0.00 H new ATOM 0 HG3 LYS 1 50 0.720 -5.827 -2.805 1.00 0.00 H new ATOM 0 HD2 LYS 1 50 3.719 -6.030 -2.282 1.00 0.00 H new ATOM 0 HD3 LYS 1 50 2.919 -6.049 -3.841 1.00 0.00 H new ATOM 0 HE2 LYS 1 50 2.067 -3.659 -2.479 1.00 0.00 H new ATOM 0 HE3 LYS 1 50 3.807 -3.762 -2.304 1.00 0.00 H new ATOM 0 HZ1 LYS 1 50 2.647 -2.751 -4.441 1.00 0.00 H new ATOM 0 HZ2 LYS 1 50 4.144 -3.549 -4.516 1.00 0.00 H new ATOM 0 HZ3 LYS 1 50 2.722 -4.370 -4.947 1.00 0.00 H new ATOM 745 N PRO 1 51 0.109 -7.998 1.592 1.00 0.00 N ATOM 746 CA PRO 1 51 -1.017 -8.886 1.824 1.00 0.00 C ATOM 747 C PRO 1 51 -2.282 -8.091 2.155 1.00 0.00 C ATOM 748 O PRO 1 51 -2.956 -7.588 1.259 1.00 0.00 O ATOM 749 CB PRO 1 51 -0.573 -9.796 2.957 1.00 0.00 C ATOM 750 CG PRO 1 51 0.594 -9.089 3.627 1.00 0.00 C ATOM 751 CD PRO 1 51 1.056 -7.974 2.704 1.00 0.00 C ATOM 0 HA PRO 1 51 -1.281 -9.470 0.943 1.00 0.00 H new ATOM 0 HB2 PRO 1 51 -1.385 -9.964 3.664 1.00 0.00 H new ATOM 0 HB3 PRO 1 51 -0.272 -10.773 2.578 1.00 0.00 H new ATOM 0 HG2 PRO 1 51 0.291 -8.684 4.593 1.00 0.00 H new ATOM 0 HG3 PRO 1 51 1.407 -9.790 3.816 1.00 0.00 H new ATOM 0 HD2 PRO 1 51 1.046 -7.010 3.212 1.00 0.00 H new ATOM 0 HD3 PRO 1 51 2.076 -8.142 2.359 1.00 0.00 H new ATOM 759 N LEU 1 52 -2.564 -8.002 3.447 1.00 0.00 N ATOM 760 CA LEU 1 52 -3.737 -7.278 3.909 1.00 0.00 C ATOM 761 C LEU 1 52 -3.348 -5.830 4.213 1.00 0.00 C ATOM 762 O LEU 1 52 -3.907 -5.211 5.117 1.00 0.00 O ATOM 763 CB LEU 1 52 -4.384 -8.003 5.090 1.00 0.00 C ATOM 764 CG LEU 1 52 -3.810 -7.680 6.471 1.00 0.00 C ATOM 765 CD1 LEU 1 52 -4.830 -6.925 7.326 1.00 0.00 C ATOM 766 CD2 LEU 1 52 -3.304 -8.946 7.165 1.00 0.00 C ATOM 0 H LEU 1 52 -2.001 -8.419 4.188 1.00 0.00 H new ATOM 0 HA LEU 1 52 -4.498 -7.248 3.130 1.00 0.00 H new ATOM 0 HB2 LEU 1 52 -5.448 -7.767 5.097 1.00 0.00 H new ATOM 0 HB3 LEU 1 52 -4.296 -9.077 4.924 1.00 0.00 H new ATOM 0 HG LEU 1 52 -2.951 -7.022 6.338 1.00 0.00 H new ATOM 0 HD11 LEU 1 52 -4.397 -6.708 8.302 1.00 0.00 H new ATOM 0 HD12 LEU 1 52 -5.098 -5.991 6.832 1.00 0.00 H new ATOM 0 HD13 LEU 1 52 -5.723 -7.538 7.453 1.00 0.00 H new ATOM 0 HD21 LEU 1 52 -2.901 -8.688 8.144 1.00 0.00 H new ATOM 0 HD22 LEU 1 52 -4.128 -9.649 7.285 1.00 0.00 H new ATOM 0 HD23 LEU 1 52 -2.521 -9.404 6.560 1.00 0.00 H new ATOM 778 N GLN 1 53 -2.393 -5.332 3.441 1.00 0.00 N ATOM 779 CA GLN 1 53 -1.923 -3.968 3.618 1.00 0.00 C ATOM 780 C GLN 1 53 -3.095 -2.988 3.536 1.00 0.00 C ATOM 781 O GLN 1 53 -3.015 -1.875 4.052 1.00 0.00 O ATOM 782 CB GLN 1 53 -0.846 -3.622 2.588 1.00 0.00 C ATOM 783 CG GLN 1 53 0.379 -4.526 2.750 1.00 0.00 C ATOM 784 CD GLN 1 53 0.908 -4.480 4.185 1.00 0.00 C ATOM 785 OE1 GLN 1 53 1.642 -3.587 4.576 1.00 0.00 O ATOM 786 NE2 GLN 1 53 0.495 -5.489 4.947 1.00 0.00 N ATOM 0 H GLN 1 53 -1.932 -5.848 2.692 1.00 0.00 H new ATOM 0 HA GLN 1 53 -1.474 -3.884 4.608 1.00 0.00 H new ATOM 0 HB2 GLN 1 53 -1.252 -3.730 1.582 1.00 0.00 H new ATOM 0 HB3 GLN 1 53 -0.550 -2.579 2.702 1.00 0.00 H new ATOM 0 HG2 GLN 1 53 0.116 -5.551 2.488 1.00 0.00 H new ATOM 0 HG3 GLN 1 53 1.162 -4.211 2.060 1.00 0.00 H new ATOM 0 HE21 GLN 1 53 -0.119 -6.204 4.557 1.00 0.00 H new ATOM 0 HE22 GLN 1 53 0.793 -5.548 5.921 1.00 0.00 H new ATOM 795 N GLU 1 54 -4.156 -3.439 2.883 1.00 0.00 N ATOM 796 CA GLU 1 54 -5.343 -2.616 2.727 1.00 0.00 C ATOM 797 C GLU 1 54 -5.634 -1.853 4.021 1.00 0.00 C ATOM 798 O GLU 1 54 -6.245 -0.785 3.992 1.00 0.00 O ATOM 799 CB GLU 1 54 -6.547 -3.462 2.307 1.00 0.00 C ATOM 800 CG GLU 1 54 -7.413 -3.821 3.516 1.00 0.00 C ATOM 801 CD GLU 1 54 -8.433 -2.718 3.807 1.00 0.00 C ATOM 802 OE1 GLU 1 54 -8.993 -2.190 2.823 1.00 0.00 O ATOM 803 OE2 GLU 1 54 -8.628 -2.427 5.007 1.00 0.00 O ATOM 0 H GLU 1 54 -4.218 -4.363 2.456 1.00 0.00 H new ATOM 0 HA GLU 1 54 -5.156 -1.891 1.935 1.00 0.00 H new ATOM 0 HB2 GLU 1 54 -7.144 -2.915 1.577 1.00 0.00 H new ATOM 0 HB3 GLU 1 54 -6.203 -4.373 1.818 1.00 0.00 H new ATOM 0 HG2 GLU 1 54 -7.932 -4.761 3.330 1.00 0.00 H new ATOM 0 HG3 GLU 1 54 -6.779 -3.975 4.389 1.00 0.00 H new ATOM 810 N ALA 1 55 -5.183 -2.429 5.124 1.00 0.00 N ATOM 811 CA ALA 1 55 -5.388 -1.818 6.427 1.00 0.00 C ATOM 812 C ALA 1 55 -5.247 -0.299 6.299 1.00 0.00 C ATOM 813 O ALA 1 55 -6.236 0.427 6.376 1.00 0.00 O ATOM 814 CB ALA 1 55 -4.398 -2.412 7.431 1.00 0.00 C ATOM 0 H ALA 1 55 -4.676 -3.314 5.143 1.00 0.00 H new ATOM 0 HA ALA 1 55 -6.392 -2.028 6.796 1.00 0.00 H new ATOM 0 HB1 ALA 1 55 -4.552 -1.954 8.408 1.00 0.00 H new ATOM 0 HB2 ALA 1 55 -4.557 -3.488 7.506 1.00 0.00 H new ATOM 0 HB3 ALA 1 55 -3.379 -2.218 7.096 1.00 0.00 H new ATOM 820 N GLU 1 56 -4.010 0.135 6.106 1.00 0.00 N ATOM 821 CA GLU 1 56 -3.727 1.553 5.967 1.00 0.00 C ATOM 822 C GLU 1 56 -2.925 1.812 4.689 1.00 0.00 C ATOM 823 O GLU 1 56 -2.204 2.805 4.596 1.00 0.00 O ATOM 824 CB GLU 1 56 -2.990 2.089 7.196 1.00 0.00 C ATOM 825 CG GLU 1 56 -3.821 3.154 7.913 1.00 0.00 C ATOM 826 CD GLU 1 56 -2.954 3.972 8.873 1.00 0.00 C ATOM 827 OE1 GLU 1 56 -1.865 4.397 8.431 1.00 0.00 O ATOM 828 OE2 GLU 1 56 -3.401 4.151 10.026 1.00 0.00 O ATOM 0 H GLU 1 56 -3.192 -0.471 6.043 1.00 0.00 H new ATOM 0 HA GLU 1 56 -4.674 2.087 5.892 1.00 0.00 H new ATOM 0 HB2 GLU 1 56 -2.774 1.269 7.881 1.00 0.00 H new ATOM 0 HB3 GLU 1 56 -2.032 2.513 6.894 1.00 0.00 H new ATOM 0 HG2 GLU 1 56 -4.281 3.816 7.179 1.00 0.00 H new ATOM 0 HG3 GLU 1 56 -4.631 2.678 8.465 1.00 0.00 H new ATOM 835 N CYS 1 57 -3.077 0.902 3.739 1.00 0.00 N ATOM 836 CA CYS 1 57 -2.376 1.019 2.472 1.00 0.00 C ATOM 837 C CYS 1 57 -3.377 1.476 1.409 1.00 0.00 C ATOM 838 O CYS 1 57 -3.185 2.513 0.775 1.00 0.00 O ATOM 839 CB CYS 1 57 -1.688 -0.291 2.083 1.00 0.00 C ATOM 840 SG CYS 1 57 -0.176 -0.093 1.070 1.00 0.00 S ATOM 0 H CYS 1 57 -3.675 0.080 3.821 1.00 0.00 H new ATOM 0 HA CYS 1 57 -1.580 1.758 2.561 1.00 0.00 H new ATOM 0 HB2 CYS 1 57 -1.430 -0.834 2.993 1.00 0.00 H new ATOM 0 HB3 CYS 1 57 -2.398 -0.909 1.533 1.00 0.00 H new ATOM 845 N THR 1 58 -4.423 0.680 1.246 1.00 0.00 N ATOM 846 CA THR 1 58 -5.454 0.988 0.270 1.00 0.00 C ATOM 847 C THR 1 58 -6.214 2.252 0.680 1.00 0.00 C ATOM 848 O THR 1 58 -6.506 3.104 -0.158 1.00 0.00 O ATOM 849 CB THR 1 58 -6.353 -0.241 0.127 1.00 0.00 C ATOM 850 OG1 THR 1 58 -6.969 -0.074 -1.147 1.00 0.00 O ATOM 851 CG2 THR 1 58 -7.525 -0.228 1.111 1.00 0.00 C ATOM 0 H THR 1 58 -4.579 -0.179 1.774 1.00 0.00 H new ATOM 0 HA THR 1 58 -5.022 1.207 -0.706 1.00 0.00 H new ATOM 0 HB THR 1 58 -5.761 -1.143 0.280 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -7.779 -0.624 -1.193 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -8.131 -1.122 0.967 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -7.143 -0.209 2.132 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -8.137 0.657 0.936 1.00 0.00 H new ATOM 859 N PHE 1 59 -6.511 2.334 1.968 1.00 0.00 N ATOM 860 CA PHE 1 59 -7.230 3.480 2.499 1.00 0.00 C ATOM 861 C PHE 1 59 -6.847 4.761 1.756 1.00 0.00 C ATOM 862 O PHE 1 59 -6.103 5.588 2.280 1.00 0.00 O ATOM 863 CB PHE 1 59 -6.831 3.618 3.969 1.00 0.00 C ATOM 864 CG PHE 1 59 -7.921 4.221 4.857 1.00 0.00 C ATOM 865 CD1 PHE 1 59 -8.027 5.570 4.981 1.00 0.00 C ATOM 866 CD2 PHE 1 59 -8.784 3.407 5.522 1.00 0.00 C ATOM 867 CE1 PHE 1 59 -9.038 6.131 5.805 1.00 0.00 C ATOM 868 CE2 PHE 1 59 -9.796 3.966 6.346 1.00 0.00 C ATOM 869 CZ PHE 1 59 -9.901 5.317 6.470 1.00 0.00 C ATOM 0 H PHE 1 59 -6.267 1.626 2.660 1.00 0.00 H new ATOM 0 HA PHE 1 59 -8.303 3.331 2.382 1.00 0.00 H new ATOM 0 HB2 PHE 1 59 -6.565 2.635 4.356 1.00 0.00 H new ATOM 0 HB3 PHE 1 59 -5.938 4.239 4.035 1.00 0.00 H new ATOM 0 HD1 PHE 1 59 -7.342 6.216 4.452 1.00 0.00 H new ATOM 0 HD2 PHE 1 59 -8.699 2.335 5.423 1.00 0.00 H new ATOM 0 HE1 PHE 1 59 -9.122 7.203 5.904 1.00 0.00 H new ATOM 0 HE2 PHE 1 59 -10.482 3.320 6.874 1.00 0.00 H new ATOM 0 HZ PHE 1 59 -10.670 5.743 7.097 1.00 0.00 H new TER 879 PHE 1 59 ATOM 880 N GLU 2 1 -18.969 -3.454 1.506 1.00 0.00 N ATOM 881 CA GLU 2 1 -19.100 -2.059 1.889 1.00 0.00 C ATOM 882 C GLU 2 1 -19.027 -1.160 0.652 1.00 0.00 C ATOM 883 O GLU 2 1 -18.803 -1.642 -0.457 1.00 0.00 O ATOM 884 CB GLU 2 1 -18.033 -1.667 2.913 1.00 0.00 C ATOM 885 CG GLU 2 1 -18.638 -0.833 4.044 1.00 0.00 C ATOM 886 CD GLU 2 1 -18.127 -1.303 5.407 1.00 0.00 C ATOM 887 OE1 GLU 2 1 -16.896 -1.226 5.610 1.00 0.00 O ATOM 888 OE2 GLU 2 1 -18.979 -1.730 6.216 1.00 0.00 O ATOM 0 H1 GLU 2 1 -19.716 -4.012 1.967 1.00 0.00 H new ATOM 0 H2 GLU 2 1 -19.059 -3.540 0.474 1.00 0.00 H new ATOM 0 H3 GLU 2 1 -18.038 -3.810 1.803 1.00 0.00 H new ATOM 0 HA GLU 2 1 -20.074 -1.923 2.358 1.00 0.00 H new ATOM 0 HB2 GLU 2 1 -17.572 -2.565 3.325 1.00 0.00 H new ATOM 0 HB3 GLU 2 1 -17.243 -1.100 2.421 1.00 0.00 H new ATOM 0 HG2 GLU 2 1 -18.386 0.218 3.900 1.00 0.00 H new ATOM 0 HG3 GLU 2 1 -19.725 -0.908 4.014 1.00 0.00 H new ATOM 895 N GLU 2 2 -19.222 0.130 0.885 1.00 0.00 N ATOM 896 CA GLU 2 2 -19.181 1.099 -0.197 1.00 0.00 C ATOM 897 C GLU 2 2 -17.756 1.623 -0.386 1.00 0.00 C ATOM 898 O GLU 2 2 -17.452 2.755 -0.012 1.00 0.00 O ATOM 899 CB GLU 2 2 -20.158 2.248 0.060 1.00 0.00 C ATOM 900 CG GLU 2 2 -21.562 1.896 -0.433 1.00 0.00 C ATOM 901 CD GLU 2 2 -22.601 2.872 0.122 1.00 0.00 C ATOM 902 OE1 GLU 2 2 -22.618 3.038 1.361 1.00 0.00 O ATOM 903 OE2 GLU 2 2 -23.353 3.431 -0.704 1.00 0.00 O ATOM 0 H GLU 2 2 -19.409 0.526 1.806 1.00 0.00 H new ATOM 0 HA GLU 2 2 -19.489 0.602 -1.117 1.00 0.00 H new ATOM 0 HB2 GLU 2 2 -20.189 2.472 1.126 1.00 0.00 H new ATOM 0 HB3 GLU 2 2 -19.807 3.148 -0.445 1.00 0.00 H new ATOM 0 HG2 GLU 2 2 -21.584 1.917 -1.523 1.00 0.00 H new ATOM 0 HG3 GLU 2 2 -21.814 0.880 -0.129 1.00 0.00 H new ATOM 910 N TYR 2 3 -16.920 0.775 -0.967 1.00 0.00 N ATOM 911 CA TYR 2 3 -15.535 1.137 -1.212 1.00 0.00 C ATOM 912 C TYR 2 3 -15.385 1.859 -2.553 1.00 0.00 C ATOM 913 O TYR 2 3 -14.973 1.256 -3.543 1.00 0.00 O ATOM 914 CB TYR 2 3 -14.757 -0.178 -1.264 1.00 0.00 C ATOM 915 CG TYR 2 3 -14.207 -0.630 0.091 1.00 0.00 C ATOM 916 CD1 TYR 2 3 -14.967 -0.474 1.232 1.00 0.00 C ATOM 917 CD2 TYR 2 3 -12.950 -1.194 0.171 1.00 0.00 C ATOM 918 CE1 TYR 2 3 -14.449 -0.898 2.507 1.00 0.00 C ATOM 919 CE2 TYR 2 3 -12.432 -1.619 1.446 1.00 0.00 C ATOM 920 CZ TYR 2 3 -13.206 -1.450 2.550 1.00 0.00 C ATOM 921 OH TYR 2 3 -12.717 -1.852 3.754 1.00 0.00 O ATOM 0 H TYR 2 3 -17.176 -0.163 -1.275 1.00 0.00 H new ATOM 0 HA TYR 2 3 -15.171 1.807 -0.433 1.00 0.00 H new ATOM 0 HB2 TYR 2 3 -15.408 -0.958 -1.659 1.00 0.00 H new ATOM 0 HB3 TYR 2 3 -13.928 -0.070 -1.963 1.00 0.00 H new ATOM 0 HD1 TYR 2 3 -15.951 -0.034 1.169 1.00 0.00 H new ATOM 0 HD2 TYR 2 3 -12.355 -1.317 -0.722 1.00 0.00 H new ATOM 0 HE1 TYR 2 3 -15.033 -0.781 3.408 1.00 0.00 H new ATOM 0 HE2 TYR 2 3 -11.450 -2.062 1.523 1.00 0.00 H new ATOM 0 HH TYR 2 3 -11.820 -2.228 3.634 1.00 0.00 H new ATOM 931 N VAL 2 4 -15.728 3.138 -2.543 1.00 0.00 N ATOM 932 CA VAL 2 4 -15.636 3.947 -3.745 1.00 0.00 C ATOM 933 C VAL 2 4 -14.584 5.038 -3.542 1.00 0.00 C ATOM 934 O VAL 2 4 -13.694 5.211 -4.374 1.00 0.00 O ATOM 935 CB VAL 2 4 -17.014 4.505 -4.107 1.00 0.00 C ATOM 936 CG1 VAL 2 4 -16.922 5.468 -5.292 1.00 0.00 C ATOM 937 CG2 VAL 2 4 -18.005 3.375 -4.395 1.00 0.00 C ATOM 0 H VAL 2 4 -16.070 3.634 -1.720 1.00 0.00 H new ATOM 0 HA VAL 2 4 -15.314 3.339 -4.590 1.00 0.00 H new ATOM 0 HB VAL 2 4 -17.384 5.065 -3.248 1.00 0.00 H new ATOM 0 HG11 VAL 2 4 -17.915 5.850 -5.528 1.00 0.00 H new ATOM 0 HG12 VAL 2 4 -16.265 6.299 -5.035 1.00 0.00 H new ATOM 0 HG13 VAL 2 4 -16.520 4.942 -6.158 1.00 0.00 H new ATOM 0 HG21 VAL 2 4 -18.976 3.799 -4.650 1.00 0.00 H new ATOM 0 HG22 VAL 2 4 -17.641 2.775 -5.229 1.00 0.00 H new ATOM 0 HG23 VAL 2 4 -18.105 2.744 -3.511 1.00 0.00 H new ATOM 947 N GLY 2 5 -14.720 5.748 -2.431 1.00 0.00 N ATOM 948 CA GLY 2 5 -13.792 6.818 -2.109 1.00 0.00 C ATOM 949 C GLY 2 5 -12.420 6.258 -1.726 1.00 0.00 C ATOM 950 O GLY 2 5 -11.509 7.013 -1.391 1.00 0.00 O ATOM 0 H GLY 2 5 -15.459 5.603 -1.743 1.00 0.00 H new ATOM 0 HA2 GLY 2 5 -13.690 7.486 -2.965 1.00 0.00 H new ATOM 0 HA3 GLY 2 5 -14.189 7.413 -1.286 1.00 0.00 H new ATOM 954 N LEU 2 6 -12.317 4.939 -1.788 1.00 0.00 N ATOM 955 CA LEU 2 6 -11.073 4.268 -1.451 1.00 0.00 C ATOM 956 C LEU 2 6 -10.738 3.248 -2.542 1.00 0.00 C ATOM 957 O LEU 2 6 -9.852 2.412 -2.363 1.00 0.00 O ATOM 958 CB LEU 2 6 -11.152 3.665 -0.048 1.00 0.00 C ATOM 959 CG LEU 2 6 -12.116 4.349 0.923 1.00 0.00 C ATOM 960 CD1 LEU 2 6 -11.790 5.838 1.061 1.00 0.00 C ATOM 961 CD2 LEU 2 6 -13.569 4.117 0.508 1.00 0.00 C ATOM 0 H LEU 2 6 -13.075 4.316 -2.067 1.00 0.00 H new ATOM 0 HA LEU 2 6 -10.251 4.983 -1.419 1.00 0.00 H new ATOM 0 HB2 LEU 2 6 -11.442 2.618 -0.140 1.00 0.00 H new ATOM 0 HB3 LEU 2 6 -10.154 3.682 0.390 1.00 0.00 H new ATOM 0 HG LEU 2 6 -11.987 3.898 1.907 1.00 0.00 H new ATOM 0 HD11 LEU 2 6 -12.490 6.301 1.757 1.00 0.00 H new ATOM 0 HD12 LEU 2 6 -10.774 5.955 1.437 1.00 0.00 H new ATOM 0 HD13 LEU 2 6 -11.874 6.321 0.087 1.00 0.00 H new ATOM 0 HD21 LEU 2 6 -14.233 4.614 1.215 1.00 0.00 H new ATOM 0 HD22 LEU 2 6 -13.732 4.524 -0.490 1.00 0.00 H new ATOM 0 HD23 LEU 2 6 -13.780 3.048 0.503 1.00 0.00 H new ATOM 973 N SER 2 7 -11.462 3.350 -3.645 1.00 0.00 N ATOM 974 CA SER 2 7 -11.252 2.446 -4.764 1.00 0.00 C ATOM 975 C SER 2 7 -10.591 3.194 -5.923 1.00 0.00 C ATOM 976 O SER 2 7 -10.140 4.326 -5.760 1.00 0.00 O ATOM 977 CB SER 2 7 -12.572 1.820 -5.221 1.00 0.00 C ATOM 978 OG SER 2 7 -12.604 0.414 -4.989 1.00 0.00 O ATOM 0 H SER 2 7 -12.195 4.044 -3.789 1.00 0.00 H new ATOM 0 HA SER 2 7 -10.594 1.642 -4.436 1.00 0.00 H new ATOM 0 HB2 SER 2 7 -13.400 2.294 -4.693 1.00 0.00 H new ATOM 0 HB3 SER 2 7 -12.718 2.016 -6.283 1.00 0.00 H new ATOM 0 HG SER 2 7 -13.373 0.193 -4.424 1.00 0.00 H new ATOM 984 N ALA 2 8 -10.552 2.529 -7.069 1.00 0.00 N ATOM 985 CA ALA 2 8 -9.952 3.116 -8.255 1.00 0.00 C ATOM 986 C ALA 2 8 -10.695 4.405 -8.612 1.00 0.00 C ATOM 987 O ALA 2 8 -11.594 4.395 -9.452 1.00 0.00 O ATOM 988 CB ALA 2 8 -9.972 2.096 -9.396 1.00 0.00 C ATOM 0 H ALA 2 8 -10.926 1.589 -7.201 1.00 0.00 H new ATOM 0 HA ALA 2 8 -8.910 3.377 -8.069 1.00 0.00 H new ATOM 0 HB1 ALA 2 8 -9.522 2.536 -10.286 1.00 0.00 H new ATOM 0 HB2 ALA 2 8 -9.406 1.211 -9.103 1.00 0.00 H new ATOM 0 HB3 ALA 2 8 -11.002 1.813 -9.613 1.00 0.00 H new ATOM 994 N ASN 2 9 -10.292 5.484 -7.957 1.00 0.00 N ATOM 995 CA ASN 2 9 -10.909 6.778 -8.195 1.00 0.00 C ATOM 996 C ASN 2 9 -10.404 7.777 -7.152 1.00 0.00 C ATOM 997 O ASN 2 9 -10.296 8.971 -7.432 1.00 0.00 O ATOM 998 CB ASN 2 9 -12.431 6.694 -8.072 1.00 0.00 C ATOM 999 CG ASN 2 9 -13.059 8.089 -8.069 1.00 0.00 C ATOM 1000 OD1 ASN 2 9 -13.804 8.461 -7.177 1.00 0.00 O ATOM 1001 ND2 ASN 2 9 -12.717 8.838 -9.114 1.00 0.00 N ATOM 0 H ASN 2 9 -9.546 5.489 -7.262 1.00 0.00 H new ATOM 0 HA ASN 2 9 -10.647 7.097 -9.204 1.00 0.00 H new ATOM 0 HB2 ASN 2 9 -12.835 6.111 -8.900 1.00 0.00 H new ATOM 0 HB3 ASN 2 9 -12.697 6.170 -7.154 1.00 0.00 H new ATOM 0 HD21 ASN 2 9 -13.083 9.786 -9.204 1.00 0.00 H new ATOM 0 HD22 ASN 2 9 -12.088 8.465 -9.825 1.00 0.00 H new ATOM 1008 N GLN 2 10 -10.110 7.254 -5.971 1.00 0.00 N ATOM 1009 CA GLN 2 10 -9.621 8.086 -4.885 1.00 0.00 C ATOM 1010 C GLN 2 10 -8.300 8.750 -5.278 1.00 0.00 C ATOM 1011 O GLN 2 10 -7.983 9.839 -4.803 1.00 0.00 O ATOM 1012 CB GLN 2 10 -9.462 7.271 -3.599 1.00 0.00 C ATOM 1013 CG GLN 2 10 -8.967 8.151 -2.450 1.00 0.00 C ATOM 1014 CD GLN 2 10 -8.976 7.382 -1.127 1.00 0.00 C ATOM 1015 OE1 GLN 2 10 -8.399 6.186 -1.193 1.00 0.00 O flip ATOM 1016 NE2 GLN 2 10 -9.473 7.845 -0.114 1.00 0.00 N flip ATOM 0 H GLN 2 10 -10.201 6.264 -5.742 1.00 0.00 H new ATOM 0 HA GLN 2 10 -10.356 8.868 -4.694 1.00 0.00 H new ATOM 0 HB2 GLN 2 10 -10.417 6.819 -3.330 1.00 0.00 H new ATOM 0 HB3 GLN 2 10 -8.759 6.455 -3.766 1.00 0.00 H new ATOM 0 HG2 GLN 2 10 -7.957 8.501 -2.664 1.00 0.00 H new ATOM 0 HG3 GLN 2 10 -9.600 9.035 -2.365 1.00 0.00 H new ATOM 0 HE21 GLN 2 10 -9.900 8.771 -0.133 1.00 0.00 H new ATOM 0 HE22 GLN 2 10 -9.461 7.306 0.752 1.00 0.00 H new ATOM 1025 N CYS 2 11 -7.566 8.066 -6.144 1.00 0.00 N ATOM 1026 CA CYS 2 11 -6.287 8.577 -6.608 1.00 0.00 C ATOM 1027 C CYS 2 11 -6.553 9.724 -7.584 1.00 0.00 C ATOM 1028 O CYS 2 11 -5.617 10.334 -8.102 1.00 0.00 O ATOM 1029 CB CYS 2 11 -5.434 7.475 -7.240 1.00 0.00 C ATOM 1030 SG CYS 2 11 -3.778 8.015 -7.804 1.00 0.00 S ATOM 0 H CYS 2 11 -7.832 7.163 -6.536 1.00 0.00 H new ATOM 0 HA CYS 2 11 -5.712 8.950 -5.760 1.00 0.00 H new ATOM 0 HB2 CYS 2 11 -5.311 6.670 -6.516 1.00 0.00 H new ATOM 0 HB3 CYS 2 11 -5.974 7.059 -8.090 1.00 0.00 H new ATOM 1035 N ALA 2 12 -7.832 9.985 -7.806 1.00 0.00 N ATOM 1036 CA ALA 2 12 -8.233 11.049 -8.711 1.00 0.00 C ATOM 1037 C ALA 2 12 -8.996 12.119 -7.927 1.00 0.00 C ATOM 1038 O ALA 2 12 -9.506 13.075 -8.509 1.00 0.00 O ATOM 1039 CB ALA 2 12 -9.063 10.462 -9.854 1.00 0.00 C ATOM 0 H ALA 2 12 -8.605 9.478 -7.375 1.00 0.00 H new ATOM 0 HA ALA 2 12 -7.358 11.525 -9.154 1.00 0.00 H new ATOM 0 HB1 ALA 2 12 -9.364 11.260 -10.533 1.00 0.00 H new ATOM 0 HB2 ALA 2 12 -8.467 9.729 -10.397 1.00 0.00 H new ATOM 0 HB3 ALA 2 12 -9.951 9.978 -9.447 1.00 0.00 H new ATOM 1045 N VAL 2 13 -9.051 11.922 -6.618 1.00 0.00 N ATOM 1046 CA VAL 2 13 -9.743 12.858 -5.748 1.00 0.00 C ATOM 1047 C VAL 2 13 -9.393 14.289 -6.166 1.00 0.00 C ATOM 1048 O VAL 2 13 -8.457 14.505 -6.933 1.00 0.00 O ATOM 1049 CB VAL 2 13 -9.404 12.562 -4.286 1.00 0.00 C ATOM 1050 CG1 VAL 2 13 -8.474 13.633 -3.711 1.00 0.00 C ATOM 1051 CG2 VAL 2 13 -10.675 12.431 -3.444 1.00 0.00 C ATOM 0 H VAL 2 13 -8.627 11.128 -6.138 1.00 0.00 H new ATOM 0 HA VAL 2 13 -10.823 12.745 -5.846 1.00 0.00 H new ATOM 0 HB VAL 2 13 -8.879 11.608 -4.251 1.00 0.00 H new ATOM 0 HG11 VAL 2 13 -8.249 13.399 -2.671 1.00 0.00 H new ATOM 0 HG12 VAL 2 13 -7.548 13.658 -4.286 1.00 0.00 H new ATOM 0 HG13 VAL 2 13 -8.962 14.606 -3.766 1.00 0.00 H new ATOM 0 HG21 VAL 2 13 -10.406 12.221 -2.409 1.00 0.00 H new ATOM 0 HG22 VAL 2 13 -11.239 13.362 -3.490 1.00 0.00 H new ATOM 0 HG23 VAL 2 13 -11.286 11.617 -3.832 1.00 0.00 H new ATOM 1061 N PRO 2 14 -10.185 15.254 -5.626 1.00 0.00 N ATOM 1062 CA PRO 2 14 -9.969 16.657 -5.934 1.00 0.00 C ATOM 1063 C PRO 2 14 -8.745 17.199 -5.194 1.00 0.00 C ATOM 1064 O PRO 2 14 -8.671 18.391 -4.897 1.00 0.00 O ATOM 1065 CB PRO 2 14 -11.260 17.352 -5.533 1.00 0.00 C ATOM 1066 CG PRO 2 14 -11.972 16.395 -4.591 1.00 0.00 C ATOM 1067 CD PRO 2 14 -11.303 15.035 -4.712 1.00 0.00 C ATOM 0 HA PRO 2 14 -9.752 16.827 -6.989 1.00 0.00 H new ATOM 0 HB2 PRO 2 14 -11.055 18.303 -5.042 1.00 0.00 H new ATOM 0 HB3 PRO 2 14 -11.874 17.570 -6.407 1.00 0.00 H new ATOM 0 HG2 PRO 2 14 -11.916 16.758 -3.565 1.00 0.00 H new ATOM 0 HG3 PRO 2 14 -13.029 16.324 -4.847 1.00 0.00 H new ATOM 0 HD2 PRO 2 14 -10.958 14.675 -3.743 1.00 0.00 H new ATOM 0 HD3 PRO 2 14 -11.993 14.287 -5.102 1.00 0.00 H new ATOM 1075 N ALA 2 15 -7.814 16.297 -4.915 1.00 0.00 N ATOM 1076 CA ALA 2 15 -6.596 16.670 -4.215 1.00 0.00 C ATOM 1077 C ALA 2 15 -6.950 17.577 -3.034 1.00 0.00 C ATOM 1078 O ALA 2 15 -6.461 18.701 -2.942 1.00 0.00 O ATOM 1079 CB ALA 2 15 -5.629 17.338 -5.193 1.00 0.00 C ATOM 0 H ALA 2 15 -7.879 15.309 -5.161 1.00 0.00 H new ATOM 0 HA ALA 2 15 -6.097 15.787 -3.816 1.00 0.00 H new ATOM 0 HB1 ALA 2 15 -4.716 17.618 -4.668 1.00 0.00 H new ATOM 0 HB2 ALA 2 15 -5.387 16.643 -5.997 1.00 0.00 H new ATOM 0 HB3 ALA 2 15 -6.094 18.230 -5.612 1.00 0.00 H new ATOM 1085 N LYS 2 16 -7.796 17.052 -2.159 1.00 0.00 N ATOM 1086 CA LYS 2 16 -8.220 17.800 -0.988 1.00 0.00 C ATOM 1087 C LYS 2 16 -9.028 16.882 -0.068 1.00 0.00 C ATOM 1088 O LYS 2 16 -9.949 17.333 0.611 1.00 0.00 O ATOM 1089 CB LYS 2 16 -8.968 19.068 -1.403 1.00 0.00 C ATOM 1090 CG LYS 2 16 -9.987 18.768 -2.505 1.00 0.00 C ATOM 1091 CD LYS 2 16 -11.415 18.993 -2.006 1.00 0.00 C ATOM 1092 CE LYS 2 16 -11.713 20.486 -1.853 1.00 0.00 C ATOM 1093 NZ LYS 2 16 -13.060 20.690 -1.273 1.00 0.00 N ATOM 0 H LYS 2 16 -8.199 16.118 -2.238 1.00 0.00 H new ATOM 0 HA LYS 2 16 -7.355 18.141 -0.420 1.00 0.00 H new ATOM 0 HB2 LYS 2 16 -9.477 19.494 -0.538 1.00 0.00 H new ATOM 0 HB3 LYS 2 16 -8.257 19.816 -1.754 1.00 0.00 H new ATOM 0 HG2 LYS 2 16 -9.794 19.406 -3.367 1.00 0.00 H new ATOM 0 HG3 LYS 2 16 -9.873 17.737 -2.840 1.00 0.00 H new ATOM 0 HD2 LYS 2 16 -12.123 18.547 -2.705 1.00 0.00 H new ATOM 0 HD3 LYS 2 16 -11.553 18.491 -1.048 1.00 0.00 H new ATOM 0 HE2 LYS 2 16 -10.961 20.949 -1.214 1.00 0.00 H new ATOM 0 HE3 LYS 2 16 -11.651 20.977 -2.824 1.00 0.00 H new ATOM 0 HZ1 LYS 2 16 -13.246 21.709 -1.176 1.00 0.00 H new ATOM 0 HZ2 LYS 2 16 -13.775 20.266 -1.898 1.00 0.00 H new ATOM 0 HZ3 LYS 2 16 -13.107 20.239 -0.337 1.00 0.00 H new ATOM 1107 N ASP 2 17 -8.655 15.611 -0.076 1.00 0.00 N ATOM 1108 CA ASP 2 17 -9.334 14.626 0.749 1.00 0.00 C ATOM 1109 C ASP 2 17 -8.431 13.403 0.922 1.00 0.00 C ATOM 1110 O ASP 2 17 -8.903 12.325 1.283 1.00 0.00 O ATOM 1111 CB ASP 2 17 -10.637 14.164 0.094 1.00 0.00 C ATOM 1112 CG ASP 2 17 -11.622 13.467 1.036 1.00 0.00 C ATOM 1113 OD1 ASP 2 17 -11.866 14.035 2.122 1.00 0.00 O ATOM 1114 OD2 ASP 2 17 -12.108 12.383 0.647 1.00 0.00 O ATOM 0 H ASP 2 17 -7.891 15.240 -0.641 1.00 0.00 H new ATOM 0 HA ASP 2 17 -9.558 15.087 1.711 1.00 0.00 H new ATOM 0 HB2 ASP 2 17 -11.131 15.029 -0.348 1.00 0.00 H new ATOM 0 HB3 ASP 2 17 -10.395 13.484 -0.722 1.00 0.00 H new ATOM 1119 N ARG 2 18 -7.150 13.610 0.656 1.00 0.00 N ATOM 1120 CA ARG 2 18 -6.178 12.537 0.777 1.00 0.00 C ATOM 1121 C ARG 2 18 -5.651 12.458 2.211 1.00 0.00 C ATOM 1122 O ARG 2 18 -6.003 13.284 3.052 1.00 0.00 O ATOM 1123 CB ARG 2 18 -5.002 12.749 -0.179 1.00 0.00 C ATOM 1124 CG ARG 2 18 -5.486 12.856 -1.626 1.00 0.00 C ATOM 1125 CD ARG 2 18 -4.638 13.857 -2.415 1.00 0.00 C ATOM 1126 NE ARG 2 18 -4.897 13.709 -3.864 1.00 0.00 N ATOM 1127 CZ ARG 2 18 -4.058 14.124 -4.823 1.00 0.00 C ATOM 1128 NH1 ARG 2 18 -2.901 14.713 -4.493 1.00 0.00 N ATOM 1129 NH2 ARG 2 18 -4.376 13.949 -6.113 1.00 0.00 N ATOM 0 H ARG 2 18 -6.763 14.505 0.357 1.00 0.00 H new ATOM 0 HA ARG 2 18 -6.679 11.605 0.518 1.00 0.00 H new ATOM 0 HB2 ARG 2 18 -4.463 13.656 0.096 1.00 0.00 H new ATOM 0 HB3 ARG 2 18 -4.300 11.921 -0.087 1.00 0.00 H new ATOM 0 HG2 ARG 2 18 -5.437 11.877 -2.103 1.00 0.00 H new ATOM 0 HG3 ARG 2 18 -6.531 13.167 -1.642 1.00 0.00 H new ATOM 0 HD2 ARG 2 18 -4.871 14.873 -2.098 1.00 0.00 H new ATOM 0 HD3 ARG 2 18 -3.581 13.693 -2.208 1.00 0.00 H new ATOM 0 HE ARG 2 18 -5.768 13.263 -4.151 1.00 0.00 H new ATOM 0 HH11 ARG 2 18 -2.658 14.846 -3.511 1.00 0.00 H new ATOM 0 HH12 ARG 2 18 -2.263 15.029 -5.223 1.00 0.00 H new ATOM 0 HH21 ARG 2 18 -5.257 13.500 -6.365 1.00 0.00 H new ATOM 0 HH22 ARG 2 18 -3.738 14.265 -6.843 1.00 0.00 H new ATOM 1143 N VAL 2 19 -4.816 11.457 2.447 1.00 0.00 N ATOM 1144 CA VAL 2 19 -4.239 11.259 3.766 1.00 0.00 C ATOM 1145 C VAL 2 19 -2.770 11.688 3.743 1.00 0.00 C ATOM 1146 O VAL 2 19 -1.991 11.294 4.609 1.00 0.00 O ATOM 1147 CB VAL 2 19 -4.430 9.807 4.208 1.00 0.00 C ATOM 1148 CG1 VAL 2 19 -4.242 9.666 5.720 1.00 0.00 C ATOM 1149 CG2 VAL 2 19 -5.796 9.275 3.774 1.00 0.00 C ATOM 0 H VAL 2 19 -4.525 10.774 1.747 1.00 0.00 H new ATOM 0 HA VAL 2 19 -4.749 11.879 4.504 1.00 0.00 H new ATOM 0 HB VAL 2 19 -3.666 9.205 3.717 1.00 0.00 H new ATOM 0 HG11 VAL 2 19 -4.383 8.624 6.009 1.00 0.00 H new ATOM 0 HG12 VAL 2 19 -3.236 9.985 5.993 1.00 0.00 H new ATOM 0 HG13 VAL 2 19 -4.973 10.288 6.237 1.00 0.00 H new ATOM 0 HG21 VAL 2 19 -5.905 8.241 4.101 1.00 0.00 H new ATOM 0 HG22 VAL 2 19 -6.582 9.882 4.223 1.00 0.00 H new ATOM 0 HG23 VAL 2 19 -5.877 9.322 2.688 1.00 0.00 H new ATOM 1159 N ASP 2 20 -2.437 12.492 2.745 1.00 0.00 N ATOM 1160 CA ASP 2 20 -1.076 12.981 2.598 1.00 0.00 C ATOM 1161 C ASP 2 20 -0.104 11.944 3.164 1.00 0.00 C ATOM 1162 O ASP 2 20 0.266 12.009 4.336 1.00 0.00 O ATOM 1163 CB ASP 2 20 -0.874 14.288 3.367 1.00 0.00 C ATOM 1164 CG ASP 2 20 0.556 14.542 3.845 1.00 0.00 C ATOM 1165 OD1 ASP 2 20 1.476 14.315 3.029 1.00 0.00 O ATOM 1166 OD2 ASP 2 20 0.698 14.958 5.016 1.00 0.00 O ATOM 0 H ASP 2 20 -3.086 12.818 2.029 1.00 0.00 H new ATOM 0 HA ASP 2 20 -0.892 13.155 1.538 1.00 0.00 H new ATOM 0 HB2 ASP 2 20 -1.181 15.118 2.730 1.00 0.00 H new ATOM 0 HB3 ASP 2 20 -1.536 14.289 4.233 1.00 0.00 H new ATOM 1171 N CYS 2 21 0.282 11.011 2.306 1.00 0.00 N ATOM 1172 CA CYS 2 21 1.205 9.963 2.705 1.00 0.00 C ATOM 1173 C CYS 2 21 2.376 10.610 3.448 1.00 0.00 C ATOM 1174 O CYS 2 21 2.929 10.021 4.376 1.00 0.00 O ATOM 1175 CB CYS 2 21 1.676 9.137 1.507 1.00 0.00 C ATOM 1176 SG CYS 2 21 1.981 7.368 1.866 1.00 0.00 S ATOM 0 H CYS 2 21 -0.028 10.959 1.336 1.00 0.00 H new ATOM 0 HA CYS 2 21 0.698 9.263 3.369 1.00 0.00 H new ATOM 0 HB2 CYS 2 21 0.928 9.209 0.717 1.00 0.00 H new ATOM 0 HB3 CYS 2 21 2.594 9.578 1.118 1.00 0.00 H new ATOM 1181 N GLY 2 22 2.719 11.812 3.011 1.00 0.00 N ATOM 1182 CA GLY 2 22 3.815 12.545 3.623 1.00 0.00 C ATOM 1183 C GLY 2 22 5.119 11.750 3.545 1.00 0.00 C ATOM 1184 O GLY 2 22 5.816 11.592 4.546 1.00 0.00 O ATOM 0 H GLY 2 22 2.258 12.297 2.241 1.00 0.00 H new ATOM 0 HA2 GLY 2 22 3.940 13.505 3.122 1.00 0.00 H new ATOM 0 HA3 GLY 2 22 3.577 12.758 4.665 1.00 0.00 H new ATOM 1188 N TYR 2 23 5.410 11.268 2.345 1.00 0.00 N ATOM 1189 CA TYR 2 23 6.618 10.491 2.123 1.00 0.00 C ATOM 1190 C TYR 2 23 7.805 11.403 1.807 1.00 0.00 C ATOM 1191 O TYR 2 23 7.689 12.321 0.995 1.00 0.00 O ATOM 1192 CB TYR 2 23 6.333 9.605 0.910 1.00 0.00 C ATOM 1193 CG TYR 2 23 6.838 8.169 1.056 1.00 0.00 C ATOM 1194 CD1 TYR 2 23 6.709 7.511 2.262 1.00 0.00 C ATOM 1195 CD2 TYR 2 23 7.423 7.530 -0.018 1.00 0.00 C ATOM 1196 CE1 TYR 2 23 7.184 6.159 2.400 1.00 0.00 C ATOM 1197 CE2 TYR 2 23 7.899 6.178 0.120 1.00 0.00 C ATOM 1198 CZ TYR 2 23 7.755 5.559 1.322 1.00 0.00 C ATOM 1199 OH TYR 2 23 8.204 4.282 1.452 1.00 0.00 O ATOM 0 H TYR 2 23 4.830 11.401 1.517 1.00 0.00 H new ATOM 0 HA TYR 2 23 6.872 9.913 3.012 1.00 0.00 H new ATOM 0 HB2 TYR 2 23 5.258 9.585 0.732 1.00 0.00 H new ATOM 0 HB3 TYR 2 23 6.793 10.053 0.029 1.00 0.00 H new ATOM 0 HD1 TYR 2 23 6.251 8.011 3.103 1.00 0.00 H new ATOM 0 HD2 TYR 2 23 7.524 8.044 -0.962 1.00 0.00 H new ATOM 0 HE1 TYR 2 23 7.089 5.633 3.339 1.00 0.00 H new ATOM 0 HE2 TYR 2 23 8.360 5.667 -0.712 1.00 0.00 H new ATOM 0 HH TYR 2 23 7.832 3.886 2.268 1.00 0.00 H new ATOM 1209 N PRO 2 24 8.950 11.112 2.481 1.00 0.00 N ATOM 1210 CA PRO 2 24 10.157 11.895 2.280 1.00 0.00 C ATOM 1211 C PRO 2 24 10.817 11.552 0.942 1.00 0.00 C ATOM 1212 O PRO 2 24 11.799 12.180 0.551 1.00 0.00 O ATOM 1213 CB PRO 2 24 11.038 11.575 3.476 1.00 0.00 C ATOM 1214 CG PRO 2 24 10.495 10.280 4.059 1.00 0.00 C ATOM 1215 CD PRO 2 24 9.125 10.033 3.450 1.00 0.00 C ATOM 0 HA PRO 2 24 9.959 12.965 2.223 1.00 0.00 H new ATOM 0 HB2 PRO 2 24 12.079 11.461 3.175 1.00 0.00 H new ATOM 0 HB3 PRO 2 24 11.005 12.379 4.212 1.00 0.00 H new ATOM 0 HG2 PRO 2 24 11.166 9.450 3.837 1.00 0.00 H new ATOM 0 HG3 PRO 2 24 10.423 10.351 5.144 1.00 0.00 H new ATOM 0 HD2 PRO 2 24 9.076 9.056 2.968 1.00 0.00 H new ATOM 0 HD3 PRO 2 24 8.344 10.053 4.210 1.00 0.00 H new ATOM 1223 N HIS 2 25 10.250 10.556 0.278 1.00 0.00 N ATOM 1224 CA HIS 2 25 10.770 10.121 -1.007 1.00 0.00 C ATOM 1225 C HIS 2 25 9.668 10.210 -2.064 1.00 0.00 C ATOM 1226 O HIS 2 25 9.703 9.495 -3.065 1.00 0.00 O ATOM 1227 CB HIS 2 25 11.380 8.722 -0.901 1.00 0.00 C ATOM 1228 CG HIS 2 25 12.749 8.600 -1.524 1.00 0.00 C ATOM 1229 ND1 HIS 2 25 12.945 8.478 -2.889 1.00 0.00 N ATOM 1230 CD2 HIS 2 25 13.989 8.583 -0.956 1.00 0.00 C ATOM 1231 CE1 HIS 2 25 14.246 8.392 -3.120 1.00 0.00 C ATOM 1232 NE2 HIS 2 25 14.893 8.457 -1.921 1.00 0.00 N ATOM 0 H HIS 2 25 9.435 10.037 0.606 1.00 0.00 H new ATOM 0 HA HIS 2 25 11.578 10.783 -1.319 1.00 0.00 H new ATOM 0 HB2 HIS 2 25 11.445 8.444 0.151 1.00 0.00 H new ATOM 0 HB3 HIS 2 25 10.710 8.007 -1.379 1.00 0.00 H new ATOM 0 HD2 HIS 2 25 14.200 8.659 0.100 1.00 0.00 H new ATOM 0 HE1 HIS 2 25 14.713 8.289 -4.088 1.00 0.00 H new ATOM 0 HE2 HIS 2 25 15.903 8.416 -1.788 1.00 0.00 H new ATOM 1241 N VAL 2 26 8.715 11.092 -1.806 1.00 0.00 N ATOM 1242 CA VAL 2 26 7.603 11.284 -2.722 1.00 0.00 C ATOM 1243 C VAL 2 26 8.137 11.375 -4.153 1.00 0.00 C ATOM 1244 O VAL 2 26 8.962 12.236 -4.458 1.00 0.00 O ATOM 1245 CB VAL 2 26 6.789 12.511 -2.309 1.00 0.00 C ATOM 1246 CG1 VAL 2 26 7.706 13.653 -1.864 1.00 0.00 C ATOM 1247 CG2 VAL 2 26 5.862 12.961 -3.440 1.00 0.00 C ATOM 0 H VAL 2 26 8.689 11.683 -0.975 1.00 0.00 H new ATOM 0 HA VAL 2 26 6.924 10.432 -2.681 1.00 0.00 H new ATOM 0 HB VAL 2 26 6.167 12.230 -1.459 1.00 0.00 H new ATOM 0 HG11 VAL 2 26 7.102 14.513 -1.576 1.00 0.00 H new ATOM 0 HG12 VAL 2 26 8.305 13.328 -1.013 1.00 0.00 H new ATOM 0 HG13 VAL 2 26 8.365 13.932 -2.686 1.00 0.00 H new ATOM 0 HG21 VAL 2 26 5.295 13.835 -3.120 1.00 0.00 H new ATOM 0 HG22 VAL 2 26 6.456 13.216 -4.318 1.00 0.00 H new ATOM 0 HG23 VAL 2 26 5.174 12.153 -3.689 1.00 0.00 H new ATOM 1257 N THR 2 27 7.647 10.474 -4.993 1.00 0.00 N ATOM 1258 CA THR 2 27 8.064 10.442 -6.383 1.00 0.00 C ATOM 1259 C THR 2 27 7.157 9.514 -7.192 1.00 0.00 C ATOM 1260 O THR 2 27 6.581 8.573 -6.647 1.00 0.00 O ATOM 1261 CB THR 2 27 9.539 10.036 -6.424 1.00 0.00 C ATOM 1262 OG1 THR 2 27 10.201 11.185 -6.947 1.00 0.00 O ATOM 1263 CG2 THR 2 27 9.817 8.944 -7.459 1.00 0.00 C ATOM 0 H THR 2 27 6.965 9.761 -4.736 1.00 0.00 H new ATOM 0 HA THR 2 27 7.968 11.424 -6.847 1.00 0.00 H new ATOM 0 HB THR 2 27 9.847 9.689 -5.438 1.00 0.00 H new ATOM 0 HG1 THR 2 27 10.039 11.952 -6.359 1.00 0.00 H new ATOM 0 HG21 THR 2 27 10.878 8.693 -7.447 1.00 0.00 H new ATOM 0 HG22 THR 2 27 9.231 8.057 -7.218 1.00 0.00 H new ATOM 0 HG23 THR 2 27 9.540 9.303 -8.450 1.00 0.00 H new ATOM 1271 N PRO 2 28 7.053 9.818 -8.513 1.00 0.00 N ATOM 1272 CA PRO 2 28 6.224 9.022 -9.403 1.00 0.00 C ATOM 1273 C PRO 2 28 6.895 7.686 -9.728 1.00 0.00 C ATOM 1274 O PRO 2 28 6.988 7.301 -10.892 1.00 0.00 O ATOM 1275 CB PRO 2 28 6.013 9.894 -10.629 1.00 0.00 C ATOM 1276 CG PRO 2 28 7.106 10.951 -10.583 1.00 0.00 C ATOM 1277 CD PRO 2 28 7.720 10.925 -9.193 1.00 0.00 C ATOM 0 HA PRO 2 28 5.268 8.749 -8.956 1.00 0.00 H new ATOM 0 HB2 PRO 2 28 6.078 9.304 -11.543 1.00 0.00 H new ATOM 0 HB3 PRO 2 28 5.025 10.353 -10.616 1.00 0.00 H new ATOM 0 HG2 PRO 2 28 7.864 10.749 -11.339 1.00 0.00 H new ATOM 0 HG3 PRO 2 28 6.694 11.936 -10.800 1.00 0.00 H new ATOM 0 HD2 PRO 2 28 8.798 10.769 -9.239 1.00 0.00 H new ATOM 0 HD3 PRO 2 28 7.556 11.867 -8.670 1.00 0.00 H new ATOM 1285 N LYS 2 29 7.346 7.016 -8.677 1.00 0.00 N ATOM 1286 CA LYS 2 29 8.006 5.731 -8.836 1.00 0.00 C ATOM 1287 C LYS 2 29 8.322 5.150 -7.456 1.00 0.00 C ATOM 1288 O LYS 2 29 8.512 3.944 -7.315 1.00 0.00 O ATOM 1289 CB LYS 2 29 9.232 5.866 -9.742 1.00 0.00 C ATOM 1290 CG LYS 2 29 9.856 4.499 -10.027 1.00 0.00 C ATOM 1291 CD LYS 2 29 10.128 4.321 -11.522 1.00 0.00 C ATOM 1292 CE LYS 2 29 9.457 3.054 -12.054 1.00 0.00 C ATOM 1293 NZ LYS 2 29 8.966 3.268 -13.434 1.00 0.00 N ATOM 0 H LYS 2 29 7.267 7.339 -7.713 1.00 0.00 H new ATOM 0 HA LYS 2 29 7.345 5.023 -9.337 1.00 0.00 H new ATOM 0 HB2 LYS 2 29 8.945 6.341 -10.680 1.00 0.00 H new ATOM 0 HB3 LYS 2 29 9.969 6.515 -9.268 1.00 0.00 H new ATOM 0 HG2 LYS 2 29 10.787 4.397 -9.470 1.00 0.00 H new ATOM 0 HG3 LYS 2 29 9.188 3.711 -9.679 1.00 0.00 H new ATOM 0 HD2 LYS 2 29 9.759 5.189 -12.068 1.00 0.00 H new ATOM 0 HD3 LYS 2 29 11.203 4.268 -11.696 1.00 0.00 H new ATOM 0 HE2 LYS 2 29 10.166 2.226 -12.038 1.00 0.00 H new ATOM 0 HE3 LYS 2 29 8.627 2.775 -11.405 1.00 0.00 H new ATOM 0 HZ1 LYS 2 29 8.513 2.398 -13.780 1.00 0.00 H new ATOM 0 HZ2 LYS 2 29 8.274 4.044 -13.440 1.00 0.00 H new ATOM 0 HZ3 LYS 2 29 9.765 3.512 -14.053 1.00 0.00 H new ATOM 1307 N GLU 2 30 8.369 6.037 -6.473 1.00 0.00 N ATOM 1308 CA GLU 2 30 8.659 5.629 -5.109 1.00 0.00 C ATOM 1309 C GLU 2 30 7.360 5.464 -4.317 1.00 0.00 C ATOM 1310 O GLU 2 30 7.186 4.479 -3.602 1.00 0.00 O ATOM 1311 CB GLU 2 30 9.596 6.626 -4.425 1.00 0.00 C ATOM 1312 CG GLU 2 30 10.994 6.029 -4.244 1.00 0.00 C ATOM 1313 CD GLU 2 30 11.841 6.224 -5.503 1.00 0.00 C ATOM 1314 OE1 GLU 2 30 11.434 5.675 -6.550 1.00 0.00 O ATOM 1315 OE2 GLU 2 30 12.875 6.917 -5.390 1.00 0.00 O ATOM 0 H GLU 2 30 8.211 7.037 -6.594 1.00 0.00 H new ATOM 0 HA GLU 2 30 9.168 4.666 -5.139 1.00 0.00 H new ATOM 0 HB2 GLU 2 30 9.660 7.537 -5.020 1.00 0.00 H new ATOM 0 HB3 GLU 2 30 9.188 6.907 -3.454 1.00 0.00 H new ATOM 0 HG2 GLU 2 30 11.487 6.500 -3.393 1.00 0.00 H new ATOM 0 HG3 GLU 2 30 10.913 4.966 -4.017 1.00 0.00 H new ATOM 1322 N CYS 2 31 6.483 6.444 -4.471 1.00 0.00 N ATOM 1323 CA CYS 2 31 5.205 6.421 -3.779 1.00 0.00 C ATOM 1324 C CYS 2 31 4.421 5.198 -4.258 1.00 0.00 C ATOM 1325 O CYS 2 31 4.015 4.363 -3.452 1.00 0.00 O ATOM 1326 CB CYS 2 31 4.423 7.719 -3.991 1.00 0.00 C ATOM 1327 SG CYS 2 31 4.927 9.105 -2.907 1.00 0.00 S ATOM 0 H CYS 2 31 6.632 7.260 -5.065 1.00 0.00 H new ATOM 0 HA CYS 2 31 5.372 6.346 -2.704 1.00 0.00 H new ATOM 0 HB2 CYS 2 31 4.536 8.029 -5.030 1.00 0.00 H new ATOM 0 HB3 CYS 2 31 3.364 7.518 -3.832 1.00 0.00 H new ATOM 1332 N ASN 2 32 4.235 5.130 -5.568 1.00 0.00 N ATOM 1333 CA ASN 2 32 3.507 4.023 -6.164 1.00 0.00 C ATOM 1334 C ASN 2 32 4.270 2.722 -5.910 1.00 0.00 C ATOM 1335 O ASN 2 32 3.775 1.637 -6.214 1.00 0.00 O ATOM 1336 CB ASN 2 32 3.372 4.203 -7.677 1.00 0.00 C ATOM 1337 CG ASN 2 32 2.103 4.986 -8.024 1.00 0.00 C ATOM 1338 OD1 ASN 2 32 2.004 6.158 -7.402 1.00 0.00 O flip ATOM 1339 ND2 ASN 2 32 1.272 4.557 -8.806 1.00 0.00 N flip ATOM 0 H ASN 2 32 4.576 5.824 -6.233 1.00 0.00 H new ATOM 0 HA ASN 2 32 2.514 3.991 -5.715 1.00 0.00 H new ATOM 0 HB2 ASN 2 32 4.245 4.728 -8.064 1.00 0.00 H new ATOM 0 HB3 ASN 2 32 3.346 3.227 -8.162 1.00 0.00 H new ATOM 0 HD21 ASN 2 32 1.410 3.649 -9.249 1.00 0.00 H new ATOM 0 HD22 ASN 2 32 0.439 5.106 -9.017 1.00 0.00 H new ATOM 1346 N ASN 2 33 5.463 2.871 -5.354 1.00 0.00 N ATOM 1347 CA ASN 2 33 6.300 1.721 -5.055 1.00 0.00 C ATOM 1348 C ASN 2 33 6.190 1.390 -3.566 1.00 0.00 C ATOM 1349 O ASN 2 33 6.304 0.229 -3.174 1.00 0.00 O ATOM 1350 CB ASN 2 33 7.769 2.013 -5.368 1.00 0.00 C ATOM 1351 CG ASN 2 33 8.680 0.933 -4.778 1.00 0.00 C ATOM 1352 OD1 ASN 2 33 8.442 -0.256 -4.911 1.00 0.00 O ATOM 1353 ND2 ASN 2 33 9.732 1.413 -4.122 1.00 0.00 N ATOM 0 H ASN 2 33 5.871 3.772 -5.102 1.00 0.00 H new ATOM 0 HA ASN 2 33 5.960 0.887 -5.669 1.00 0.00 H new ATOM 0 HB2 ASN 2 33 7.911 2.064 -6.447 1.00 0.00 H new ATOM 0 HB3 ASN 2 33 8.044 2.987 -4.964 1.00 0.00 H new ATOM 0 HD21 ASN 2 33 10.400 0.773 -3.692 1.00 0.00 H new ATOM 0 HD22 ASN 2 33 9.871 2.421 -4.049 1.00 0.00 H new ATOM 1360 N ARG 2 34 5.971 2.430 -2.774 1.00 0.00 N ATOM 1361 CA ARG 2 34 5.845 2.264 -1.337 1.00 0.00 C ATOM 1362 C ARG 2 34 4.402 1.917 -0.967 1.00 0.00 C ATOM 1363 O ARG 2 34 4.158 1.230 0.023 1.00 0.00 O ATOM 1364 CB ARG 2 34 6.263 3.536 -0.597 1.00 0.00 C ATOM 1365 CG ARG 2 34 5.075 4.483 -0.420 1.00 0.00 C ATOM 1366 CD ARG 2 34 4.280 4.138 0.841 1.00 0.00 C ATOM 1367 NE ARG 2 34 4.472 5.189 1.864 1.00 0.00 N ATOM 1368 CZ ARG 2 34 3.984 5.123 3.110 1.00 0.00 C ATOM 1369 NH1 ARG 2 34 3.271 4.056 3.495 1.00 0.00 N ATOM 1370 NH2 ARG 2 34 4.207 6.125 3.971 1.00 0.00 N ATOM 0 H ARG 2 34 5.878 3.391 -3.102 1.00 0.00 H new ATOM 0 HA ARG 2 34 6.505 1.450 -1.038 1.00 0.00 H new ATOM 0 HB2 ARG 2 34 6.673 3.275 0.379 1.00 0.00 H new ATOM 0 HB3 ARG 2 34 7.055 4.040 -1.151 1.00 0.00 H new ATOM 0 HG2 ARG 2 34 5.431 5.511 -0.359 1.00 0.00 H new ATOM 0 HG3 ARG 2 34 4.424 4.422 -1.292 1.00 0.00 H new ATOM 0 HD2 ARG 2 34 3.221 4.044 0.599 1.00 0.00 H new ATOM 0 HD3 ARG 2 34 4.604 3.174 1.233 1.00 0.00 H new ATOM 0 HE ARG 2 34 5.010 6.016 1.605 1.00 0.00 H new ATOM 0 HH11 ARG 2 34 3.100 3.294 2.839 1.00 0.00 H new ATOM 0 HH12 ARG 2 34 2.900 4.006 4.444 1.00 0.00 H new ATOM 0 HH21 ARG 2 34 4.748 6.938 3.678 1.00 0.00 H new ATOM 0 HH22 ARG 2 34 3.835 6.075 4.920 1.00 0.00 H new ATOM 1384 N GLY 2 35 3.481 2.411 -1.782 1.00 0.00 N ATOM 1385 CA GLY 2 35 2.068 2.162 -1.553 1.00 0.00 C ATOM 1386 C GLY 2 35 1.281 3.473 -1.502 1.00 0.00 C ATOM 1387 O GLY 2 35 0.210 3.537 -0.900 1.00 0.00 O ATOM 0 H GLY 2 35 3.686 2.982 -2.602 1.00 0.00 H new ATOM 0 HA2 GLY 2 35 1.674 1.528 -2.347 1.00 0.00 H new ATOM 0 HA3 GLY 2 35 1.938 1.619 -0.617 1.00 0.00 H new ATOM 1391 N CYS 2 36 1.844 4.488 -2.142 1.00 0.00 N ATOM 1392 CA CYS 2 36 1.208 5.795 -2.178 1.00 0.00 C ATOM 1393 C CYS 2 36 0.973 6.175 -3.641 1.00 0.00 C ATOM 1394 O CYS 2 36 1.520 5.545 -4.546 1.00 0.00 O ATOM 1395 CB CYS 2 36 2.039 6.848 -1.441 1.00 0.00 C ATOM 1396 SG CYS 2 36 2.400 6.453 0.309 1.00 0.00 S ATOM 0 H CYS 2 36 2.733 4.432 -2.639 1.00 0.00 H new ATOM 0 HA CYS 2 36 0.251 5.752 -1.657 1.00 0.00 H new ATOM 0 HB2 CYS 2 36 2.982 6.982 -1.971 1.00 0.00 H new ATOM 0 HB3 CYS 2 36 1.512 7.801 -1.482 1.00 0.00 H new ATOM 1401 N CYS 2 37 0.159 7.204 -3.828 1.00 0.00 N ATOM 1402 CA CYS 2 37 -0.155 7.676 -5.166 1.00 0.00 C ATOM 1403 C CYS 2 37 0.409 9.089 -5.322 1.00 0.00 C ATOM 1404 O CYS 2 37 0.186 9.948 -4.470 1.00 0.00 O ATOM 1405 CB CYS 2 37 -1.658 7.628 -5.445 1.00 0.00 C ATOM 1406 SG CYS 2 37 -2.106 7.356 -7.198 1.00 0.00 S ATOM 0 H CYS 2 37 -0.292 7.724 -3.075 1.00 0.00 H new ATOM 0 HA CYS 2 37 0.306 7.018 -5.903 1.00 0.00 H new ATOM 0 HB2 CYS 2 37 -2.099 6.833 -4.844 1.00 0.00 H new ATOM 0 HB3 CYS 2 37 -2.105 8.565 -5.112 1.00 0.00 H new ATOM 1411 N PHE 2 38 1.131 9.287 -6.415 1.00 0.00 N ATOM 1412 CA PHE 2 38 1.728 10.583 -6.694 1.00 0.00 C ATOM 1413 C PHE 2 38 0.882 11.373 -7.694 1.00 0.00 C ATOM 1414 O PHE 2 38 0.693 10.942 -8.830 1.00 0.00 O ATOM 1415 CB PHE 2 38 3.105 10.317 -7.306 1.00 0.00 C ATOM 1416 CG PHE 2 38 4.043 11.525 -7.274 1.00 0.00 C ATOM 1417 CD1 PHE 2 38 3.829 12.576 -8.109 1.00 0.00 C ATOM 1418 CD2 PHE 2 38 5.094 11.547 -6.410 1.00 0.00 C ATOM 1419 CE1 PHE 2 38 4.699 13.697 -8.079 1.00 0.00 C ATOM 1420 CE2 PHE 2 38 5.965 12.668 -6.380 1.00 0.00 C ATOM 1421 CZ PHE 2 38 5.750 13.719 -7.215 1.00 0.00 C ATOM 0 H PHE 2 38 1.316 8.572 -7.118 1.00 0.00 H new ATOM 0 HA PHE 2 38 1.796 11.167 -5.776 1.00 0.00 H new ATOM 0 HB2 PHE 2 38 3.575 9.491 -6.773 1.00 0.00 H new ATOM 0 HB3 PHE 2 38 2.976 9.997 -8.340 1.00 0.00 H new ATOM 0 HD1 PHE 2 38 2.996 12.558 -8.796 1.00 0.00 H new ATOM 0 HD2 PHE 2 38 5.266 10.712 -5.747 1.00 0.00 H new ATOM 0 HE1 PHE 2 38 4.527 14.532 -8.742 1.00 0.00 H new ATOM 0 HE2 PHE 2 38 6.799 12.686 -5.694 1.00 0.00 H new ATOM 0 HZ PHE 2 38 6.413 14.571 -7.193 1.00 0.00 H new ATOM 1431 N ASP 2 39 0.397 12.517 -7.235 1.00 0.00 N ATOM 1432 CA ASP 2 39 -0.425 13.373 -8.074 1.00 0.00 C ATOM 1433 C ASP 2 39 0.479 14.211 -8.979 1.00 0.00 C ATOM 1434 O ASP 2 39 0.655 13.892 -10.154 1.00 0.00 O ATOM 1435 CB ASP 2 39 -1.267 14.329 -7.228 1.00 0.00 C ATOM 1436 CG ASP 2 39 -2.138 15.302 -8.027 1.00 0.00 C ATOM 1437 OD1 ASP 2 39 -3.055 14.807 -8.718 1.00 0.00 O ATOM 1438 OD2 ASP 2 39 -1.867 16.519 -7.929 1.00 0.00 O ATOM 0 H ASP 2 39 0.557 12.872 -6.292 1.00 0.00 H new ATOM 0 HA ASP 2 39 -1.086 12.736 -8.662 1.00 0.00 H new ATOM 0 HB2 ASP 2 39 -1.911 13.741 -6.574 1.00 0.00 H new ATOM 0 HB3 ASP 2 39 -0.601 14.905 -6.585 1.00 0.00 H new ATOM 1443 N SER 2 40 1.029 15.268 -8.398 1.00 0.00 N ATOM 1444 CA SER 2 40 1.911 16.154 -9.137 1.00 0.00 C ATOM 1445 C SER 2 40 1.091 17.233 -9.849 1.00 0.00 C ATOM 1446 O SER 2 40 1.640 18.234 -10.307 1.00 0.00 O ATOM 1447 CB SER 2 40 2.754 15.375 -10.147 1.00 0.00 C ATOM 1448 OG SER 2 40 4.036 15.968 -10.342 1.00 0.00 O ATOM 0 H SER 2 40 0.880 15.530 -7.424 1.00 0.00 H new ATOM 0 HA SER 2 40 2.590 16.630 -8.429 1.00 0.00 H new ATOM 0 HB2 SER 2 40 2.878 14.349 -9.801 1.00 0.00 H new ATOM 0 HB3 SER 2 40 2.227 15.329 -11.100 1.00 0.00 H new ATOM 0 HG SER 2 40 4.545 15.441 -10.993 1.00 0.00 H new ATOM 1454 N ARG 2 41 -0.210 16.992 -9.919 1.00 0.00 N ATOM 1455 CA ARG 2 41 -1.111 17.930 -10.568 1.00 0.00 C ATOM 1456 C ARG 2 41 -1.206 19.223 -9.756 1.00 0.00 C ATOM 1457 O ARG 2 41 -1.179 20.316 -10.317 1.00 0.00 O ATOM 1458 CB ARG 2 41 -2.509 17.330 -10.727 1.00 0.00 C ATOM 1459 CG ARG 2 41 -2.450 15.982 -11.447 1.00 0.00 C ATOM 1460 CD ARG 2 41 -3.753 15.707 -12.202 1.00 0.00 C ATOM 1461 NE ARG 2 41 -3.460 15.398 -13.620 1.00 0.00 N ATOM 1462 CZ ARG 2 41 -3.070 14.195 -14.061 1.00 0.00 C ATOM 1463 NH1 ARG 2 41 -2.922 13.181 -13.199 1.00 0.00 N ATOM 1464 NH2 ARG 2 41 -2.827 14.007 -15.365 1.00 0.00 N ATOM 0 H ARG 2 41 -0.662 16.161 -9.537 1.00 0.00 H new ATOM 0 HA ARG 2 41 -0.708 18.148 -11.557 1.00 0.00 H new ATOM 0 HB2 ARG 2 41 -2.967 17.202 -9.746 1.00 0.00 H new ATOM 0 HB3 ARG 2 41 -3.142 18.018 -11.287 1.00 0.00 H new ATOM 0 HG2 ARG 2 41 -1.613 15.974 -12.145 1.00 0.00 H new ATOM 0 HG3 ARG 2 41 -2.270 15.187 -10.724 1.00 0.00 H new ATOM 0 HD2 ARG 2 41 -4.281 14.872 -11.741 1.00 0.00 H new ATOM 0 HD3 ARG 2 41 -4.410 16.574 -12.138 1.00 0.00 H new ATOM 0 HE ARG 2 41 -3.561 16.148 -14.304 1.00 0.00 H new ATOM 0 HH11 ARG 2 41 -3.106 13.325 -12.206 1.00 0.00 H new ATOM 0 HH12 ARG 2 41 -2.625 12.265 -13.535 1.00 0.00 H new ATOM 0 HH21 ARG 2 41 -2.939 14.780 -16.021 1.00 0.00 H new ATOM 0 HH22 ARG 2 41 -2.530 13.091 -15.702 1.00 0.00 H new ATOM 1478 N ILE 2 42 -1.314 19.054 -8.446 1.00 0.00 N ATOM 1479 CA ILE 2 42 -1.412 20.194 -7.550 1.00 0.00 C ATOM 1480 C ILE 2 42 -0.242 20.167 -6.567 1.00 0.00 C ATOM 1481 O ILE 2 42 -0.168 19.290 -5.707 1.00 0.00 O ATOM 1482 CB ILE 2 42 -2.785 20.226 -6.873 1.00 0.00 C ATOM 1483 CG1 ILE 2 42 -3.811 19.426 -7.677 1.00 0.00 C ATOM 1484 CG2 ILE 2 42 -3.242 21.665 -6.630 1.00 0.00 C ATOM 1485 CD1 ILE 2 42 -5.230 19.679 -7.162 1.00 0.00 C ATOM 0 H ILE 2 42 -1.336 18.145 -7.984 1.00 0.00 H new ATOM 0 HA ILE 2 42 -1.336 21.126 -8.109 1.00 0.00 H new ATOM 0 HB ILE 2 42 -2.697 19.747 -5.898 1.00 0.00 H new ATOM 0 HG12 ILE 2 42 -3.748 19.701 -8.730 1.00 0.00 H new ATOM 0 HG13 ILE 2 42 -3.581 18.363 -7.611 1.00 0.00 H new ATOM 0 HG21 ILE 2 42 -4.220 21.660 -6.148 1.00 0.00 H new ATOM 0 HG22 ILE 2 42 -2.523 22.171 -5.986 1.00 0.00 H new ATOM 0 HG23 ILE 2 42 -3.310 22.191 -7.582 1.00 0.00 H new ATOM 0 HD11 ILE 2 42 -5.940 19.098 -7.751 1.00 0.00 H new ATOM 0 HD12 ILE 2 42 -5.296 19.380 -6.116 1.00 0.00 H new ATOM 0 HD13 ILE 2 42 -5.466 20.739 -7.252 1.00 0.00 H new ATOM 1497 N PRO 2 43 0.668 21.165 -6.729 1.00 0.00 N ATOM 1498 CA PRO 2 43 1.832 21.264 -5.865 1.00 0.00 C ATOM 1499 C PRO 2 43 1.446 21.794 -4.482 1.00 0.00 C ATOM 1500 O PRO 2 43 2.282 21.859 -3.583 1.00 0.00 O ATOM 1501 CB PRO 2 43 2.794 22.179 -6.604 1.00 0.00 C ATOM 1502 CG PRO 2 43 1.955 22.927 -7.627 1.00 0.00 C ATOM 1503 CD PRO 2 43 0.613 22.221 -7.735 1.00 0.00 C ATOM 0 HA PRO 2 43 2.294 20.296 -5.670 1.00 0.00 H new ATOM 0 HB2 PRO 2 43 3.281 22.871 -5.917 1.00 0.00 H new ATOM 0 HB3 PRO 2 43 3.583 21.605 -7.090 1.00 0.00 H new ATOM 0 HG2 PRO 2 43 1.817 23.964 -7.322 1.00 0.00 H new ATOM 0 HG3 PRO 2 43 2.457 22.943 -8.594 1.00 0.00 H new ATOM 0 HD2 PRO 2 43 -0.212 22.907 -7.544 1.00 0.00 H new ATOM 0 HD3 PRO 2 43 0.461 21.810 -8.733 1.00 0.00 H new ATOM 1511 N GLY 2 44 0.179 22.161 -4.358 1.00 0.00 N ATOM 1512 CA GLY 2 44 -0.329 22.684 -3.100 1.00 0.00 C ATOM 1513 C GLY 2 44 -1.004 21.581 -2.281 1.00 0.00 C ATOM 1514 O GLY 2 44 -1.454 21.822 -1.162 1.00 0.00 O ATOM 0 H GLY 2 44 -0.511 22.107 -5.107 1.00 0.00 H new ATOM 0 HA2 GLY 2 44 0.489 23.119 -2.526 1.00 0.00 H new ATOM 0 HA3 GLY 2 44 -1.042 23.485 -3.296 1.00 0.00 H new ATOM 1518 N VAL 2 45 -1.052 20.395 -2.870 1.00 0.00 N ATOM 1519 CA VAL 2 45 -1.664 19.256 -2.209 1.00 0.00 C ATOM 1520 C VAL 2 45 -0.621 18.151 -2.036 1.00 0.00 C ATOM 1521 O VAL 2 45 0.531 18.313 -2.435 1.00 0.00 O ATOM 1522 CB VAL 2 45 -2.896 18.797 -2.991 1.00 0.00 C ATOM 1523 CG1 VAL 2 45 -3.615 19.987 -3.629 1.00 0.00 C ATOM 1524 CG2 VAL 2 45 -2.520 17.755 -4.045 1.00 0.00 C ATOM 0 H VAL 2 45 -0.677 20.199 -3.798 1.00 0.00 H new ATOM 0 HA VAL 2 45 -2.012 19.534 -1.214 1.00 0.00 H new ATOM 0 HB VAL 2 45 -3.583 18.328 -2.287 1.00 0.00 H new ATOM 0 HG11 VAL 2 45 -4.487 19.633 -4.179 1.00 0.00 H new ATOM 0 HG12 VAL 2 45 -3.934 20.680 -2.850 1.00 0.00 H new ATOM 0 HG13 VAL 2 45 -2.937 20.497 -4.313 1.00 0.00 H new ATOM 0 HG21 VAL 2 45 -3.414 17.446 -4.586 1.00 0.00 H new ATOM 0 HG22 VAL 2 45 -1.804 18.187 -4.744 1.00 0.00 H new ATOM 0 HG23 VAL 2 45 -2.074 16.889 -3.557 1.00 0.00 H new ATOM 1534 N PRO 2 46 -1.072 17.023 -1.424 1.00 0.00 N ATOM 1535 CA PRO 2 46 -0.191 15.892 -1.192 1.00 0.00 C ATOM 1536 C PRO 2 46 0.069 15.125 -2.491 1.00 0.00 C ATOM 1537 O PRO 2 46 -0.850 14.545 -3.068 1.00 0.00 O ATOM 1538 CB PRO 2 46 -0.895 15.054 -0.138 1.00 0.00 C ATOM 1539 CG PRO 2 46 -2.348 15.496 -0.156 1.00 0.00 C ATOM 1540 CD PRO 2 46 -2.431 16.797 -0.937 1.00 0.00 C ATOM 0 HA PRO 2 46 0.798 16.193 -0.846 1.00 0.00 H new ATOM 0 HB2 PRO 2 46 -0.807 13.991 -0.362 1.00 0.00 H new ATOM 0 HB3 PRO 2 46 -0.451 15.210 0.845 1.00 0.00 H new ATOM 0 HG2 PRO 2 46 -2.973 14.733 -0.619 1.00 0.00 H new ATOM 0 HG3 PRO 2 46 -2.717 15.637 0.860 1.00 0.00 H new ATOM 0 HD2 PRO 2 46 -3.140 16.720 -1.762 1.00 0.00 H new ATOM 0 HD3 PRO 2 46 -2.767 17.618 -0.304 1.00 0.00 H new ATOM 1548 N TRP 2 47 1.323 15.148 -2.914 1.00 0.00 N ATOM 1549 CA TRP 2 47 1.715 14.461 -4.133 1.00 0.00 C ATOM 1550 C TRP 2 47 2.115 13.032 -3.763 1.00 0.00 C ATOM 1551 O TRP 2 47 2.935 12.417 -4.445 1.00 0.00 O ATOM 1552 CB TRP 2 47 2.825 15.224 -4.860 1.00 0.00 C ATOM 1553 CG TRP 2 47 3.063 16.637 -4.322 1.00 0.00 C ATOM 1554 CD1 TRP 2 47 2.334 17.739 -4.545 1.00 0.00 C ATOM 1555 CD2 TRP 2 47 4.140 17.057 -3.458 1.00 0.00 C ATOM 1556 NE1 TRP 2 47 2.859 18.834 -3.889 1.00 0.00 N ATOM 1557 CE2 TRP 2 47 3.993 18.406 -3.208 1.00 0.00 C ATOM 1558 CE3 TRP 2 47 5.204 16.322 -2.906 1.00 0.00 C ATOM 1559 CZ2 TRP 2 47 4.872 19.138 -2.400 1.00 0.00 C ATOM 1560 CZ3 TRP 2 47 6.074 17.067 -2.101 1.00 0.00 C ATOM 1561 CH2 TRP 2 47 5.940 18.426 -1.839 1.00 0.00 C ATOM 0 H TRP 2 47 2.082 15.632 -2.434 1.00 0.00 H new ATOM 0 HA TRP 2 47 0.883 14.418 -4.836 1.00 0.00 H new ATOM 0 HB2 TRP 2 47 3.752 14.656 -4.784 1.00 0.00 H new ATOM 0 HB3 TRP 2 47 2.575 15.287 -5.919 1.00 0.00 H new ATOM 0 HD1 TRP 2 47 1.447 17.767 -5.161 1.00 0.00 H new ATOM 0 HE1 TRP 2 47 2.484 19.783 -3.902 1.00 0.00 H new ATOM 0 HE3 TRP 2 47 5.339 15.266 -3.089 1.00 0.00 H new ATOM 0 HZ2 TRP 2 47 4.734 20.194 -2.219 1.00 0.00 H new ATOM 0 HZ3 TRP 2 47 6.909 16.549 -1.652 1.00 0.00 H new ATOM 0 HH2 TRP 2 47 6.656 18.930 -1.206 1.00 0.00 H new ATOM 1572 N CYS 2 48 1.518 12.545 -2.687 1.00 0.00 N ATOM 1573 CA CYS 2 48 1.802 11.199 -2.219 1.00 0.00 C ATOM 1574 C CYS 2 48 0.781 10.841 -1.136 1.00 0.00 C ATOM 1575 O CYS 2 48 0.903 11.279 0.007 1.00 0.00 O ATOM 1576 CB CYS 2 48 3.240 11.067 -1.713 1.00 0.00 C ATOM 1577 SG CYS 2 48 3.788 9.350 -1.398 1.00 0.00 S ATOM 0 H CYS 2 48 0.839 13.058 -2.125 1.00 0.00 H new ATOM 0 HA CYS 2 48 1.712 10.497 -3.048 1.00 0.00 H new ATOM 0 HB2 CYS 2 48 3.910 11.519 -2.444 1.00 0.00 H new ATOM 0 HB3 CYS 2 48 3.340 11.640 -0.791 1.00 0.00 H new ATOM 1582 N PHE 2 49 -0.202 10.048 -1.534 1.00 0.00 N ATOM 1583 CA PHE 2 49 -1.244 9.627 -0.612 1.00 0.00 C ATOM 1584 C PHE 2 49 -1.589 8.150 -0.813 1.00 0.00 C ATOM 1585 O PHE 2 49 -0.902 7.442 -1.548 1.00 0.00 O ATOM 1586 CB PHE 2 49 -2.480 10.474 -0.917 1.00 0.00 C ATOM 1587 CG PHE 2 49 -2.579 10.930 -2.374 1.00 0.00 C ATOM 1588 CD1 PHE 2 49 -1.645 11.777 -2.886 1.00 0.00 C ATOM 1589 CD2 PHE 2 49 -3.599 10.490 -3.158 1.00 0.00 C ATOM 1590 CE1 PHE 2 49 -1.735 12.201 -4.237 1.00 0.00 C ATOM 1591 CE2 PHE 2 49 -3.690 10.914 -4.510 1.00 0.00 C ATOM 1592 CZ PHE 2 49 -2.756 11.761 -5.021 1.00 0.00 C ATOM 0 H PHE 2 49 -0.300 9.685 -2.482 1.00 0.00 H new ATOM 0 HA PHE 2 49 -0.906 9.757 0.416 1.00 0.00 H new ATOM 0 HB2 PHE 2 49 -3.372 9.900 -0.665 1.00 0.00 H new ATOM 0 HB3 PHE 2 49 -2.474 11.353 -0.272 1.00 0.00 H new ATOM 0 HD1 PHE 2 49 -0.835 12.127 -2.264 1.00 0.00 H new ATOM 0 HD2 PHE 2 49 -4.340 9.818 -2.752 1.00 0.00 H new ATOM 0 HE1 PHE 2 49 -0.993 12.873 -4.643 1.00 0.00 H new ATOM 0 HE2 PHE 2 49 -4.500 10.564 -5.132 1.00 0.00 H new ATOM 0 HZ PHE 2 49 -2.825 12.084 -6.049 1.00 0.00 H new ATOM 1602 N LYS 2 50 -2.655 7.728 -0.148 1.00 0.00 N ATOM 1603 CA LYS 2 50 -3.100 6.349 -0.245 1.00 0.00 C ATOM 1604 C LYS 2 50 -4.528 6.315 -0.794 1.00 0.00 C ATOM 1605 O LYS 2 50 -5.466 5.975 -0.075 1.00 0.00 O ATOM 1606 CB LYS 2 50 -2.943 5.639 1.102 1.00 0.00 C ATOM 1607 CG LYS 2 50 -1.592 4.926 1.191 1.00 0.00 C ATOM 1608 CD LYS 2 50 -0.617 5.707 2.075 1.00 0.00 C ATOM 1609 CE LYS 2 50 -1.040 5.646 3.544 1.00 0.00 C ATOM 1610 NZ LYS 2 50 -0.098 6.415 4.387 1.00 0.00 N ATOM 0 H LYS 2 50 -3.223 8.318 0.460 1.00 0.00 H new ATOM 0 HA LYS 2 50 -2.475 5.796 -0.946 1.00 0.00 H new ATOM 0 HB2 LYS 2 50 -3.030 6.364 1.912 1.00 0.00 H new ATOM 0 HB3 LYS 2 50 -3.749 4.917 1.233 1.00 0.00 H new ATOM 0 HG2 LYS 2 50 -1.732 3.923 1.595 1.00 0.00 H new ATOM 0 HG3 LYS 2 50 -1.171 4.811 0.192 1.00 0.00 H new ATOM 0 HD2 LYS 2 50 0.387 5.298 1.965 1.00 0.00 H new ATOM 0 HD3 LYS 2 50 -0.576 6.746 1.748 1.00 0.00 H new ATOM 0 HE2 LYS 2 50 -2.047 6.047 3.655 1.00 0.00 H new ATOM 0 HE3 LYS 2 50 -1.071 4.609 3.877 1.00 0.00 H new ATOM 0 HZ1 LYS 2 50 0.322 5.786 5.101 1.00 0.00 H new ATOM 0 HZ2 LYS 2 50 0.655 6.814 3.791 1.00 0.00 H new ATOM 0 HZ3 LYS 2 50 -0.608 7.187 4.863 1.00 0.00 H new ATOM 1624 N PRO 2 51 -4.651 6.684 -2.098 1.00 0.00 N ATOM 1625 CA PRO 2 51 -5.949 6.699 -2.751 1.00 0.00 C ATOM 1626 C PRO 2 51 -6.417 5.278 -3.072 1.00 0.00 C ATOM 1627 O PRO 2 51 -6.845 4.546 -2.181 1.00 0.00 O ATOM 1628 CB PRO 2 51 -5.753 7.555 -3.992 1.00 0.00 C ATOM 1629 CG PRO 2 51 -4.253 7.602 -4.234 1.00 0.00 C ATOM 1630 CD PRO 2 51 -3.562 7.093 -2.980 1.00 0.00 C ATOM 0 HA PRO 2 51 -6.735 7.111 -2.118 1.00 0.00 H new ATOM 0 HB2 PRO 2 51 -6.273 7.126 -4.848 1.00 0.00 H new ATOM 0 HB3 PRO 2 51 -6.156 8.557 -3.843 1.00 0.00 H new ATOM 0 HG2 PRO 2 51 -3.986 6.987 -5.093 1.00 0.00 H new ATOM 0 HG3 PRO 2 51 -3.934 8.620 -4.459 1.00 0.00 H new ATOM 0 HD2 PRO 2 51 -2.899 6.257 -3.204 1.00 0.00 H new ATOM 0 HD3 PRO 2 51 -2.951 7.870 -2.521 1.00 0.00 H new ATOM 1638 N LEU 2 52 -6.322 4.932 -4.348 1.00 0.00 N ATOM 1639 CA LEU 2 52 -6.732 3.613 -4.797 1.00 0.00 C ATOM 1640 C LEU 2 52 -5.508 2.696 -4.855 1.00 0.00 C ATOM 1641 O LEU 2 52 -5.343 1.935 -5.807 1.00 0.00 O ATOM 1642 CB LEU 2 52 -7.491 3.709 -6.122 1.00 0.00 C ATOM 1643 CG LEU 2 52 -6.643 3.587 -7.391 1.00 0.00 C ATOM 1644 CD1 LEU 2 52 -6.805 2.206 -8.027 1.00 0.00 C ATOM 1645 CD2 LEU 2 52 -6.966 4.713 -8.376 1.00 0.00 C ATOM 0 H LEU 2 52 -5.967 5.542 -5.084 1.00 0.00 H new ATOM 0 HA LEU 2 52 -7.431 3.170 -4.088 1.00 0.00 H new ATOM 0 HB2 LEU 2 52 -8.251 2.928 -6.140 1.00 0.00 H new ATOM 0 HB3 LEU 2 52 -8.015 4.664 -6.149 1.00 0.00 H new ATOM 0 HG LEU 2 52 -5.594 3.693 -7.113 1.00 0.00 H new ATOM 0 HD11 LEU 2 52 -6.192 2.146 -8.927 1.00 0.00 H new ATOM 0 HD12 LEU 2 52 -6.487 1.440 -7.319 1.00 0.00 H new ATOM 0 HD13 LEU 2 52 -7.851 2.047 -8.289 1.00 0.00 H new ATOM 0 HD21 LEU 2 52 -6.350 4.603 -9.269 1.00 0.00 H new ATOM 0 HD22 LEU 2 52 -8.019 4.663 -8.653 1.00 0.00 H new ATOM 0 HD23 LEU 2 52 -6.759 5.676 -7.909 1.00 0.00 H new ATOM 1657 N GLN 2 53 -4.682 2.800 -3.825 1.00 0.00 N ATOM 1658 CA GLN 2 53 -3.478 1.990 -3.746 1.00 0.00 C ATOM 1659 C GLN 2 53 -3.819 0.511 -3.943 1.00 0.00 C ATOM 1660 O GLN 2 53 -2.945 -0.295 -4.257 1.00 0.00 O ATOM 1661 CB GLN 2 53 -2.753 2.212 -2.418 1.00 0.00 C ATOM 1662 CG GLN 2 53 -2.262 3.656 -2.296 1.00 0.00 C ATOM 1663 CD GLN 2 53 -1.295 4.004 -3.431 1.00 0.00 C ATOM 1664 OE1 GLN 2 53 -1.276 5.108 -3.948 1.00 0.00 O ATOM 1665 NE2 GLN 2 53 -0.497 3.002 -3.787 1.00 0.00 N ATOM 0 H GLN 2 53 -4.822 3.433 -3.038 1.00 0.00 H new ATOM 0 HA GLN 2 53 -2.804 2.298 -4.546 1.00 0.00 H new ATOM 0 HB2 GLN 2 53 -3.424 1.981 -1.590 1.00 0.00 H new ATOM 0 HB3 GLN 2 53 -1.907 1.529 -2.343 1.00 0.00 H new ATOM 0 HG2 GLN 2 53 -3.113 4.336 -2.317 1.00 0.00 H new ATOM 0 HG3 GLN 2 53 -1.766 3.795 -1.335 1.00 0.00 H new ATOM 0 HE21 GLN 2 53 -0.565 2.102 -3.312 1.00 0.00 H new ATOM 0 HE22 GLN 2 53 0.184 3.133 -4.535 1.00 0.00 H new ATOM 1674 N GLU 2 54 -5.093 0.200 -3.750 1.00 0.00 N ATOM 1675 CA GLU 2 54 -5.561 -1.167 -3.903 1.00 0.00 C ATOM 1676 C GLU 2 54 -4.904 -1.820 -5.121 1.00 0.00 C ATOM 1677 O GLU 2 54 -4.785 -3.043 -5.185 1.00 0.00 O ATOM 1678 CB GLU 2 54 -7.086 -1.216 -4.011 1.00 0.00 C ATOM 1679 CG GLU 2 54 -7.542 -0.969 -5.451 1.00 0.00 C ATOM 1680 CD GLU 2 54 -7.937 -2.281 -6.133 1.00 0.00 C ATOM 1681 OE1 GLU 2 54 -7.105 -3.213 -6.096 1.00 0.00 O ATOM 1682 OE2 GLU 2 54 -9.062 -2.322 -6.676 1.00 0.00 O ATOM 0 H GLU 2 54 -5.815 0.871 -3.489 1.00 0.00 H new ATOM 0 HA GLU 2 54 -5.274 -1.730 -3.015 1.00 0.00 H new ATOM 0 HB2 GLU 2 54 -7.447 -2.187 -3.673 1.00 0.00 H new ATOM 0 HB3 GLU 2 54 -7.525 -0.466 -3.353 1.00 0.00 H new ATOM 0 HG2 GLU 2 54 -8.389 -0.283 -5.456 1.00 0.00 H new ATOM 0 HG3 GLU 2 54 -6.741 -0.490 -6.013 1.00 0.00 H new ATOM 1689 N ALA 2 55 -4.495 -0.976 -6.057 1.00 0.00 N ATOM 1690 CA ALA 2 55 -3.853 -1.455 -7.269 1.00 0.00 C ATOM 1691 C ALA 2 55 -3.023 -2.699 -6.943 1.00 0.00 C ATOM 1692 O ALA 2 55 -3.325 -3.793 -7.418 1.00 0.00 O ATOM 1693 CB ALA 2 55 -3.008 -0.334 -7.877 1.00 0.00 C ATOM 0 H ALA 2 55 -4.596 0.037 -6.000 1.00 0.00 H new ATOM 0 HA ALA 2 55 -4.599 -1.740 -8.011 1.00 0.00 H new ATOM 0 HB1 ALA 2 55 -2.526 -0.694 -8.786 1.00 0.00 H new ATOM 0 HB2 ALA 2 55 -3.648 0.515 -8.117 1.00 0.00 H new ATOM 0 HB3 ALA 2 55 -2.246 -0.023 -7.162 1.00 0.00 H new ATOM 1699 N GLU 2 56 -1.993 -2.490 -6.135 1.00 0.00 N ATOM 1700 CA GLU 2 56 -1.118 -3.580 -5.740 1.00 0.00 C ATOM 1701 C GLU 2 56 -0.716 -3.434 -4.272 1.00 0.00 C ATOM 1702 O GLU 2 56 0.316 -3.955 -3.852 1.00 0.00 O ATOM 1703 CB GLU 2 56 0.115 -3.648 -6.643 1.00 0.00 C ATOM 1704 CG GLU 2 56 0.054 -4.866 -7.567 1.00 0.00 C ATOM 1705 CD GLU 2 56 -0.349 -4.458 -8.986 1.00 0.00 C ATOM 1706 OE1 GLU 2 56 0.359 -3.596 -9.550 1.00 0.00 O ATOM 1707 OE2 GLU 2 56 -1.354 -5.018 -9.473 1.00 0.00 O ATOM 0 H GLU 2 56 -1.745 -1.581 -5.743 1.00 0.00 H new ATOM 0 HA GLU 2 56 -1.663 -4.517 -5.854 1.00 0.00 H new ATOM 0 HB2 GLU 2 56 0.184 -2.738 -7.239 1.00 0.00 H new ATOM 0 HB3 GLU 2 56 1.016 -3.697 -6.031 1.00 0.00 H new ATOM 0 HG2 GLU 2 56 1.026 -5.360 -7.589 1.00 0.00 H new ATOM 0 HG3 GLU 2 56 -0.662 -5.589 -7.175 1.00 0.00 H new ATOM 1714 N CYS 2 57 -1.551 -2.721 -3.531 1.00 0.00 N ATOM 1715 CA CYS 2 57 -1.295 -2.498 -2.117 1.00 0.00 C ATOM 1716 C CYS 2 57 -2.202 -3.431 -1.312 1.00 0.00 C ATOM 1717 O CYS 2 57 -1.724 -4.201 -0.482 1.00 0.00 O ATOM 1718 CB CYS 2 57 -1.497 -1.032 -1.731 1.00 0.00 C ATOM 1719 SG CYS 2 57 -0.165 -0.320 -0.698 1.00 0.00 S ATOM 0 H CYS 2 57 -2.406 -2.290 -3.883 1.00 0.00 H new ATOM 0 HA CYS 2 57 -0.253 -2.724 -1.893 1.00 0.00 H new ATOM 0 HB2 CYS 2 57 -1.587 -0.440 -2.642 1.00 0.00 H new ATOM 0 HB3 CYS 2 57 -2.442 -0.939 -1.196 1.00 0.00 H new ATOM 1724 N THR 2 58 -3.494 -3.331 -1.587 1.00 0.00 N ATOM 1725 CA THR 2 58 -4.472 -4.156 -0.899 1.00 0.00 C ATOM 1726 C THR 2 58 -4.277 -5.629 -1.264 1.00 0.00 C ATOM 1727 O THR 2 58 -4.357 -6.501 -0.400 1.00 0.00 O ATOM 1728 CB THR 2 58 -5.865 -3.624 -1.242 1.00 0.00 C ATOM 1729 OG1 THR 2 58 -6.720 -4.251 -0.289 1.00 0.00 O ATOM 1730 CG2 THR 2 58 -6.372 -4.137 -2.591 1.00 0.00 C ATOM 0 H THR 2 58 -3.886 -2.691 -2.277 1.00 0.00 H new ATOM 0 HA THR 2 58 -4.345 -4.102 0.182 1.00 0.00 H new ATOM 0 HB THR 2 58 -5.845 -2.534 -1.252 1.00 0.00 H new ATOM 0 HG1 THR 2 58 -7.644 -3.961 -0.438 1.00 0.00 H new ATOM 0 HG21 THR 2 58 -7.364 -3.730 -2.786 1.00 0.00 H new ATOM 0 HG22 THR 2 58 -5.689 -3.822 -3.380 1.00 0.00 H new ATOM 0 HG23 THR 2 58 -6.425 -5.226 -2.570 1.00 0.00 H new ATOM 1738 N PHE 2 59 -4.027 -5.861 -2.543 1.00 0.00 N ATOM 1739 CA PHE 2 59 -3.820 -7.213 -3.032 1.00 0.00 C ATOM 1740 C PHE 2 59 -3.111 -8.074 -1.985 1.00 0.00 C ATOM 1741 O PHE 2 59 -2.341 -8.969 -2.329 1.00 0.00 O ATOM 1742 CB PHE 2 59 -2.933 -7.109 -4.274 1.00 0.00 C ATOM 1743 CG PHE 2 59 -3.548 -7.728 -5.532 1.00 0.00 C ATOM 1744 CD1 PHE 2 59 -4.777 -7.328 -5.957 1.00 0.00 C ATOM 1745 CD2 PHE 2 59 -2.865 -8.679 -6.225 1.00 0.00 C ATOM 1746 CE1 PHE 2 59 -5.346 -7.903 -7.123 1.00 0.00 C ATOM 1747 CE2 PHE 2 59 -3.435 -9.254 -7.391 1.00 0.00 C ATOM 1748 CZ PHE 2 59 -4.664 -8.854 -7.816 1.00 0.00 C ATOM 0 H PHE 2 59 -3.963 -5.135 -3.257 1.00 0.00 H new ATOM 0 HA PHE 2 59 -4.780 -7.678 -3.255 1.00 0.00 H new ATOM 0 HB2 PHE 2 59 -2.717 -6.058 -4.467 1.00 0.00 H new ATOM 0 HB3 PHE 2 59 -1.980 -7.598 -4.070 1.00 0.00 H new ATOM 0 HD1 PHE 2 59 -5.319 -6.573 -5.407 1.00 0.00 H new ATOM 0 HD2 PHE 2 59 -1.889 -8.996 -5.888 1.00 0.00 H new ATOM 0 HE1 PHE 2 59 -6.321 -7.585 -7.460 1.00 0.00 H new ATOM 0 HE2 PHE 2 59 -2.893 -10.009 -7.941 1.00 0.00 H new ATOM 0 HZ PHE 2 59 -5.098 -9.291 -8.703 1.00 0.00 H new TER 1758 PHE 2 59