USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 842 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: 1 23 TYR OH : rot -140:sc= -1.64 USER MOD Set 1.2: 2 23 TYR OH : rot -172:sc= -1.86! USER MOD Single : 1 1 GLU N :NH3+ 175:sc= -1.94! (180deg=-2.08!) USER MOD Single : 1 3 TYR OH : rot -122:sc= 0.673 USER MOD Single : 1 7 SER OG : rot -42:sc= 0.262 USER MOD Single : 1 9 ASN : amide:sc= -0.0489 X(o=-0.049,f=0) USER MOD Single : 1 10 GLN : amide:sc= -12.3! C(o=-12!,f=-6.5!) USER MOD Single : 1 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 25 HIS : no HD1:sc= 0 X(o=0,f=-0.16) USER MOD Single : 1 27 THR OG1 : rot 59:sc= 0.00486 USER MOD Single : 1 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 32 ASN : amide:sc= -2.62 K(o=-2.6,f=-0.42) USER MOD Single : 1 33 ASN : amide:sc= -0.0348 X(o=-0.035,f=-0.035) USER MOD Single : 1 40 SER OG : rot 180:sc= 0 USER MOD Single : 1 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 53 GLN : amide:sc= -12.2! C(o=-12!,f=-18!) USER MOD Single : 1 58 THR OG1 : rot -150:sc= -1.44 USER MOD Single : 2 1 GLU N :NH3+ 132:sc= 0.0844 (180deg=-0.115) USER MOD Single : 2 3 TYR OH : rot 180:sc= 0 USER MOD Single : 2 7 SER OG : rot -122:sc= 0.488 USER MOD Single : 2 9 ASN : amide:sc= 0.0135 X(o=0.014,f=0) USER MOD Single : 2 10 GLN : amide:sc= -10.7! C(o=-11!,f=-7.5!) USER MOD Single : 2 16 LYS NZ :NH3+ 143:sc= 0.636 (180deg=-0.463) USER MOD Single : 2 25 HIS : no HD1:sc= -2.35! K(o=-2.3!,f=-1.1) USER MOD Single : 2 27 THR OG1 : rot 63:sc= 0.0356 USER MOD Single : 2 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 2 32 ASN : amide:sc= -1.16 K(o=-1.2,f=-0.13) USER MOD Single : 2 33 ASN : amide:sc= -0.0584 K(o=-0.058,f=-1.7!) USER MOD Single : 2 40 SER OG : rot 180:sc= -0.112 USER MOD Single : 2 50 LYS NZ :NH3+ -173:sc= -2.72 (180deg=-3.01) USER MOD Single : 2 53 GLN : amide:sc= -12.4! C(o=-12!,f=-20!) USER MOD Single : 2 58 THR OG1 : rot 180:sc= -2.06 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU 1 1 -12.546 -12.751 -6.060 1.00 0.00 N ATOM 2 CA GLU 1 1 -13.943 -12.363 -6.156 1.00 0.00 C ATOM 3 C GLU 1 1 -14.439 -11.828 -4.811 1.00 0.00 C ATOM 4 O GLU 1 1 -14.809 -10.660 -4.702 1.00 0.00 O ATOM 5 CB GLU 1 1 -14.806 -13.534 -6.633 1.00 0.00 C ATOM 6 CG GLU 1 1 -14.114 -14.870 -6.360 1.00 0.00 C ATOM 7 CD GLU 1 1 -13.117 -15.208 -7.471 1.00 0.00 C ATOM 8 OE1 GLU 1 1 -13.582 -15.374 -8.620 1.00 0.00 O ATOM 9 OE2 GLU 1 1 -11.913 -15.292 -7.148 1.00 0.00 O ATOM 0 H1 GLU 1 1 -12.246 -13.190 -6.954 1.00 0.00 H new ATOM 0 H2 GLU 1 1 -11.964 -11.909 -5.875 1.00 0.00 H new ATOM 0 H3 GLU 1 1 -12.427 -13.432 -5.283 1.00 0.00 H new ATOM 0 HA GLU 1 1 -14.029 -11.567 -6.895 1.00 0.00 H new ATOM 0 HB2 GLU 1 1 -15.771 -13.510 -6.126 1.00 0.00 H new ATOM 0 HB3 GLU 1 1 -15.004 -13.434 -7.700 1.00 0.00 H new ATOM 0 HG2 GLU 1 1 -13.596 -14.826 -5.402 1.00 0.00 H new ATOM 0 HG3 GLU 1 1 -14.860 -15.661 -6.283 1.00 0.00 H new ATOM 16 N GLU 1 2 -14.431 -12.708 -3.821 1.00 0.00 N ATOM 17 CA GLU 1 2 -14.875 -12.339 -2.487 1.00 0.00 C ATOM 18 C GLU 1 2 -13.695 -11.836 -1.654 1.00 0.00 C ATOM 19 O GLU 1 2 -13.123 -12.587 -0.865 1.00 0.00 O ATOM 20 CB GLU 1 2 -15.573 -13.513 -1.798 1.00 0.00 C ATOM 21 CG GLU 1 2 -16.758 -13.029 -0.960 1.00 0.00 C ATOM 22 CD GLU 1 2 -16.914 -13.872 0.308 1.00 0.00 C ATOM 23 OE1 GLU 1 2 -16.695 -15.099 0.204 1.00 0.00 O ATOM 24 OE2 GLU 1 2 -17.246 -13.271 1.352 1.00 0.00 O ATOM 0 H GLU 1 2 -14.124 -13.676 -3.916 1.00 0.00 H new ATOM 0 HA GLU 1 2 -15.600 -11.530 -2.577 1.00 0.00 H new ATOM 0 HB2 GLU 1 2 -15.919 -14.226 -2.547 1.00 0.00 H new ATOM 0 HB3 GLU 1 2 -14.863 -14.040 -1.161 1.00 0.00 H new ATOM 0 HG2 GLU 1 2 -16.614 -11.983 -0.690 1.00 0.00 H new ATOM 0 HG3 GLU 1 2 -17.672 -13.083 -1.551 1.00 0.00 H new ATOM 31 N TYR 1 3 -13.363 -10.570 -1.859 1.00 0.00 N ATOM 32 CA TYR 1 3 -12.261 -9.958 -1.137 1.00 0.00 C ATOM 33 C TYR 1 3 -12.022 -10.664 0.200 1.00 0.00 C ATOM 34 O TYR 1 3 -12.535 -10.234 1.232 1.00 0.00 O ATOM 35 CB TYR 1 3 -12.682 -8.512 -0.869 1.00 0.00 C ATOM 36 CG TYR 1 3 -13.260 -7.797 -2.092 1.00 0.00 C ATOM 37 CD1 TYR 1 3 -12.422 -7.132 -2.963 1.00 0.00 C ATOM 38 CD2 TYR 1 3 -14.621 -7.815 -2.322 1.00 0.00 C ATOM 39 CE1 TYR 1 3 -12.966 -6.459 -4.113 1.00 0.00 C ATOM 40 CE2 TYR 1 3 -15.166 -7.141 -3.472 1.00 0.00 C ATOM 41 CZ TYR 1 3 -14.311 -6.496 -4.311 1.00 0.00 C ATOM 42 OH TYR 1 3 -14.825 -5.860 -5.397 1.00 0.00 O ATOM 0 H TYR 1 3 -13.838 -9.951 -2.516 1.00 0.00 H new ATOM 0 HA TYR 1 3 -11.340 -10.024 -1.716 1.00 0.00 H new ATOM 0 HB2 TYR 1 3 -13.424 -8.502 -0.070 1.00 0.00 H new ATOM 0 HB3 TYR 1 3 -11.818 -7.953 -0.509 1.00 0.00 H new ATOM 0 HD1 TYR 1 3 -11.357 -7.116 -2.782 1.00 0.00 H new ATOM 0 HD2 TYR 1 3 -15.277 -8.335 -1.639 1.00 0.00 H new ATOM 0 HE1 TYR 1 3 -12.321 -5.936 -4.803 1.00 0.00 H new ATOM 0 HE2 TYR 1 3 -16.229 -7.147 -3.664 1.00 0.00 H new ATOM 0 HH TYR 1 3 -15.475 -5.188 -5.105 1.00 0.00 H new ATOM 52 N VAL 1 4 -11.246 -11.736 0.137 1.00 0.00 N ATOM 53 CA VAL 1 4 -10.935 -12.504 1.330 1.00 0.00 C ATOM 54 C VAL 1 4 -9.466 -12.932 1.286 1.00 0.00 C ATOM 55 O VAL 1 4 -8.746 -12.796 2.274 1.00 0.00 O ATOM 56 CB VAL 1 4 -11.898 -13.686 1.458 1.00 0.00 C ATOM 57 CG1 VAL 1 4 -11.879 -14.547 0.193 1.00 0.00 C ATOM 58 CG2 VAL 1 4 -11.577 -14.523 2.698 1.00 0.00 C ATOM 0 H VAL 1 4 -10.824 -12.091 -0.721 1.00 0.00 H new ATOM 0 HA VAL 1 4 -11.070 -11.894 2.223 1.00 0.00 H new ATOM 0 HB VAL 1 4 -12.906 -13.287 1.576 1.00 0.00 H new ATOM 0 HG11 VAL 1 4 -12.572 -15.380 0.310 1.00 0.00 H new ATOM 0 HG12 VAL 1 4 -12.179 -13.943 -0.663 1.00 0.00 H new ATOM 0 HG13 VAL 1 4 -10.872 -14.932 0.030 1.00 0.00 H new ATOM 0 HG21 VAL 1 4 -12.276 -15.357 2.765 1.00 0.00 H new ATOM 0 HG22 VAL 1 4 -10.560 -14.908 2.624 1.00 0.00 H new ATOM 0 HG23 VAL 1 4 -11.666 -13.902 3.589 1.00 0.00 H new ATOM 68 N GLY 1 5 -9.066 -13.443 0.131 1.00 0.00 N ATOM 69 CA GLY 1 5 -7.697 -13.892 -0.055 1.00 0.00 C ATOM 70 C GLY 1 5 -6.735 -12.704 -0.129 1.00 0.00 C ATOM 71 O GLY 1 5 -5.524 -12.887 -0.245 1.00 0.00 O ATOM 0 H GLY 1 5 -9.666 -13.556 -0.686 1.00 0.00 H new ATOM 0 HA2 GLY 1 5 -7.410 -14.546 0.768 1.00 0.00 H new ATOM 0 HA3 GLY 1 5 -7.625 -14.481 -0.970 1.00 0.00 H new ATOM 75 N LEU 1 6 -7.310 -11.513 -0.058 1.00 0.00 N ATOM 76 CA LEU 1 6 -6.520 -10.295 -0.115 1.00 0.00 C ATOM 77 C LEU 1 6 -6.939 -9.365 1.026 1.00 0.00 C ATOM 78 O LEU 1 6 -6.591 -8.186 1.031 1.00 0.00 O ATOM 79 CB LEU 1 6 -6.624 -9.654 -1.500 1.00 0.00 C ATOM 80 CG LEU 1 6 -7.244 -10.522 -2.597 1.00 0.00 C ATOM 81 CD1 LEU 1 6 -8.731 -10.762 -2.331 1.00 0.00 C ATOM 82 CD2 LEU 1 6 -6.999 -9.916 -3.980 1.00 0.00 C ATOM 0 H LEU 1 6 -8.315 -11.365 0.039 1.00 0.00 H new ATOM 0 HA LEU 1 6 -5.463 -10.520 0.029 1.00 0.00 H new ATOM 0 HB2 LEU 1 6 -7.212 -8.740 -1.412 1.00 0.00 H new ATOM 0 HB3 LEU 1 6 -5.624 -9.361 -1.819 1.00 0.00 H new ATOM 0 HG LEU 1 6 -6.753 -11.495 -2.581 1.00 0.00 H new ATOM 0 HD11 LEU 1 6 -9.147 -11.382 -3.125 1.00 0.00 H new ATOM 0 HD12 LEU 1 6 -8.852 -11.269 -1.374 1.00 0.00 H new ATOM 0 HD13 LEU 1 6 -9.255 -9.806 -2.304 1.00 0.00 H new ATOM 0 HD21 LEU 1 6 -7.450 -10.553 -4.741 1.00 0.00 H new ATOM 0 HD22 LEU 1 6 -7.446 -8.923 -4.026 1.00 0.00 H new ATOM 0 HD23 LEU 1 6 -5.927 -9.840 -4.159 1.00 0.00 H new ATOM 94 N SER 1 7 -7.680 -9.933 1.966 1.00 0.00 N ATOM 95 CA SER 1 7 -8.150 -9.170 3.111 1.00 0.00 C ATOM 96 C SER 1 7 -7.341 -9.540 4.355 1.00 0.00 C ATOM 97 O SER 1 7 -6.336 -10.243 4.260 1.00 0.00 O ATOM 98 CB SER 1 7 -9.641 -9.408 3.357 1.00 0.00 C ATOM 99 OG SER 1 7 -9.898 -10.725 3.838 1.00 0.00 O ATOM 0 H SER 1 7 -7.967 -10.912 1.959 1.00 0.00 H new ATOM 0 HA SER 1 7 -8.009 -8.111 2.896 1.00 0.00 H new ATOM 0 HB2 SER 1 7 -10.010 -8.680 4.079 1.00 0.00 H new ATOM 0 HB3 SER 1 7 -10.192 -9.246 2.431 1.00 0.00 H new ATOM 0 HG SER 1 7 -9.356 -11.368 3.335 1.00 0.00 H new ATOM 105 N ALA 1 8 -7.810 -9.050 5.493 1.00 0.00 N ATOM 106 CA ALA 1 8 -7.141 -9.321 6.755 1.00 0.00 C ATOM 107 C ALA 1 8 -7.089 -10.832 6.985 1.00 0.00 C ATOM 108 O ALA 1 8 -7.966 -11.396 7.638 1.00 0.00 O ATOM 109 CB ALA 1 8 -7.865 -8.583 7.884 1.00 0.00 C ATOM 0 H ALA 1 8 -8.644 -8.468 5.568 1.00 0.00 H new ATOM 0 HA ALA 1 8 -6.114 -8.956 6.732 1.00 0.00 H new ATOM 0 HB1 ALA 1 8 -7.364 -8.785 8.831 1.00 0.00 H new ATOM 0 HB2 ALA 1 8 -7.849 -7.511 7.687 1.00 0.00 H new ATOM 0 HB3 ALA 1 8 -8.898 -8.926 7.939 1.00 0.00 H new ATOM 115 N ASN 1 9 -6.050 -11.447 6.438 1.00 0.00 N ATOM 116 CA ASN 1 9 -5.872 -12.882 6.575 1.00 0.00 C ATOM 117 C ASN 1 9 -4.848 -13.365 5.546 1.00 0.00 C ATOM 118 O ASN 1 9 -4.146 -14.348 5.779 1.00 0.00 O ATOM 119 CB ASN 1 9 -7.184 -13.627 6.323 1.00 0.00 C ATOM 120 CG ASN 1 9 -7.586 -14.459 7.542 1.00 0.00 C ATOM 121 OD1 ASN 1 9 -8.643 -14.282 8.126 1.00 0.00 O ATOM 122 ND2 ASN 1 9 -6.687 -15.374 7.893 1.00 0.00 N ATOM 0 H ASN 1 9 -5.323 -10.977 5.899 1.00 0.00 H new ATOM 0 HA ASN 1 9 -5.533 -13.084 7.591 1.00 0.00 H new ATOM 0 HB2 ASN 1 9 -7.973 -12.912 6.090 1.00 0.00 H new ATOM 0 HB3 ASN 1 9 -7.076 -14.277 5.455 1.00 0.00 H new ATOM 0 HD21 ASN 1 9 -6.862 -15.980 8.694 1.00 0.00 H new ATOM 0 HD22 ASN 1 9 -5.822 -15.470 7.361 1.00 0.00 H new ATOM 129 N GLN 1 10 -4.797 -12.653 4.430 1.00 0.00 N ATOM 130 CA GLN 1 10 -3.870 -12.997 3.365 1.00 0.00 C ATOM 131 C GLN 1 10 -2.427 -12.841 3.846 1.00 0.00 C ATOM 132 O GLN 1 10 -1.547 -13.598 3.438 1.00 0.00 O ATOM 133 CB GLN 1 10 -4.128 -12.147 2.119 1.00 0.00 C ATOM 134 CG GLN 1 10 -3.247 -12.602 0.954 1.00 0.00 C ATOM 135 CD GLN 1 10 -3.317 -11.608 -0.208 1.00 0.00 C ATOM 136 OE1 GLN 1 10 -3.543 -11.966 -1.351 1.00 0.00 O ATOM 137 NE2 GLN 1 10 -3.113 -10.343 0.150 1.00 0.00 N ATOM 0 H GLN 1 10 -5.382 -11.840 4.240 1.00 0.00 H new ATOM 0 HA GLN 1 10 -4.030 -14.040 3.093 1.00 0.00 H new ATOM 0 HB2 GLN 1 10 -5.178 -12.220 1.836 1.00 0.00 H new ATOM 0 HB3 GLN 1 10 -3.930 -11.099 2.342 1.00 0.00 H new ATOM 0 HG2 GLN 1 10 -2.215 -12.701 1.291 1.00 0.00 H new ATOM 0 HG3 GLN 1 10 -3.567 -13.587 0.614 1.00 0.00 H new ATOM 0 HE21 GLN 1 10 -2.929 -10.113 1.126 1.00 0.00 H new ATOM 0 HE22 GLN 1 10 -3.141 -9.603 -0.552 1.00 0.00 H new ATOM 146 N CYS 1 11 -2.227 -11.852 4.706 1.00 0.00 N ATOM 147 CA CYS 1 11 -0.904 -11.587 5.247 1.00 0.00 C ATOM 148 C CYS 1 11 -0.450 -12.820 6.030 1.00 0.00 C ATOM 149 O CYS 1 11 0.701 -12.897 6.459 1.00 0.00 O ATOM 150 CB CYS 1 11 -0.890 -10.324 6.111 1.00 0.00 C ATOM 151 SG CYS 1 11 0.705 -9.981 6.941 1.00 0.00 S ATOM 0 H CYS 1 11 -2.958 -11.225 5.041 1.00 0.00 H new ATOM 0 HA CYS 1 11 -0.205 -11.398 4.432 1.00 0.00 H new ATOM 0 HB2 CYS 1 11 -1.149 -9.470 5.486 1.00 0.00 H new ATOM 0 HB3 CYS 1 11 -1.667 -10.411 6.870 1.00 0.00 H new ATOM 156 N ALA 1 12 -1.375 -13.754 6.192 1.00 0.00 N ATOM 157 CA ALA 1 12 -1.083 -14.979 6.915 1.00 0.00 C ATOM 158 C ALA 1 12 -0.998 -16.143 5.926 1.00 0.00 C ATOM 159 O ALA 1 12 -1.162 -17.301 6.307 1.00 0.00 O ATOM 160 CB ALA 1 12 -2.149 -15.204 7.990 1.00 0.00 C ATOM 0 H ALA 1 12 -2.328 -13.687 5.835 1.00 0.00 H new ATOM 0 HA ALA 1 12 -0.120 -14.905 7.421 1.00 0.00 H new ATOM 0 HB1 ALA 1 12 -1.930 -16.124 8.533 1.00 0.00 H new ATOM 0 HB2 ALA 1 12 -2.148 -14.364 8.684 1.00 0.00 H new ATOM 0 HB3 ALA 1 12 -3.129 -15.285 7.519 1.00 0.00 H new ATOM 166 N VAL 1 13 -0.743 -15.796 4.672 1.00 0.00 N ATOM 167 CA VAL 1 13 -0.634 -16.797 3.625 1.00 0.00 C ATOM 168 C VAL 1 13 0.299 -17.917 4.091 1.00 0.00 C ATOM 169 O VAL 1 13 0.993 -17.774 5.097 1.00 0.00 O ATOM 170 CB VAL 1 13 -0.176 -16.142 2.320 1.00 0.00 C ATOM 171 CG1 VAL 1 13 -1.366 -15.572 1.546 1.00 0.00 C ATOM 172 CG2 VAL 1 13 0.872 -15.060 2.589 1.00 0.00 C ATOM 0 H VAL 1 13 -0.609 -14.835 4.358 1.00 0.00 H new ATOM 0 HA VAL 1 13 -1.606 -17.246 3.424 1.00 0.00 H new ATOM 0 HB VAL 1 13 0.287 -16.912 1.703 1.00 0.00 H new ATOM 0 HG11 VAL 1 13 -1.013 -15.112 0.623 1.00 0.00 H new ATOM 0 HG12 VAL 1 13 -2.063 -16.375 1.308 1.00 0.00 H new ATOM 0 HG13 VAL 1 13 -1.871 -14.822 2.155 1.00 0.00 H new ATOM 0 HG21 VAL 1 13 1.181 -14.610 1.645 1.00 0.00 H new ATOM 0 HG22 VAL 1 13 0.445 -14.292 3.234 1.00 0.00 H new ATOM 0 HG23 VAL 1 13 1.738 -15.506 3.079 1.00 0.00 H new ATOM 182 N PRO 1 14 0.283 -19.036 3.319 1.00 0.00 N ATOM 183 CA PRO 1 14 1.119 -20.180 3.641 1.00 0.00 C ATOM 184 C PRO 1 14 2.582 -19.909 3.283 1.00 0.00 C ATOM 185 O PRO 1 14 3.424 -20.799 3.386 1.00 0.00 O ATOM 186 CB PRO 1 14 0.519 -21.338 2.860 1.00 0.00 C ATOM 187 CG PRO 1 14 -0.337 -20.708 1.773 1.00 0.00 C ATOM 188 CD PRO 1 14 -0.526 -19.241 2.121 1.00 0.00 C ATOM 0 HA PRO 1 14 1.134 -20.403 4.708 1.00 0.00 H new ATOM 0 HB2 PRO 1 14 1.300 -21.964 2.428 1.00 0.00 H new ATOM 0 HB3 PRO 1 14 -0.081 -21.977 3.508 1.00 0.00 H new ATOM 0 HG2 PRO 1 14 0.144 -20.811 0.800 1.00 0.00 H new ATOM 0 HG3 PRO 1 14 -1.301 -21.212 1.706 1.00 0.00 H new ATOM 0 HD2 PRO 1 14 -0.198 -18.595 1.306 1.00 0.00 H new ATOM 0 HD3 PRO 1 14 -1.575 -19.010 2.307 1.00 0.00 H new ATOM 196 N ALA 1 15 2.838 -18.678 2.867 1.00 0.00 N ATOM 197 CA ALA 1 15 4.184 -18.279 2.493 1.00 0.00 C ATOM 198 C ALA 1 15 4.432 -18.651 1.029 1.00 0.00 C ATOM 199 O ALA 1 15 5.368 -19.388 0.722 1.00 0.00 O ATOM 200 CB ALA 1 15 5.192 -18.932 3.440 1.00 0.00 C ATOM 0 H ALA 1 15 2.136 -17.943 2.781 1.00 0.00 H new ATOM 0 HA ALA 1 15 4.304 -17.200 2.584 1.00 0.00 H new ATOM 0 HB1 ALA 1 15 6.202 -18.633 3.159 1.00 0.00 H new ATOM 0 HB2 ALA 1 15 4.990 -18.613 4.463 1.00 0.00 H new ATOM 0 HB3 ALA 1 15 5.104 -20.016 3.374 1.00 0.00 H new ATOM 206 N LYS 1 16 3.576 -18.125 0.165 1.00 0.00 N ATOM 207 CA LYS 1 16 3.692 -18.392 -1.258 1.00 0.00 C ATOM 208 C LYS 1 16 2.457 -17.843 -1.978 1.00 0.00 C ATOM 209 O LYS 1 16 1.888 -18.512 -2.839 1.00 0.00 O ATOM 210 CB LYS 1 16 3.934 -19.883 -1.506 1.00 0.00 C ATOM 211 CG LYS 1 16 3.265 -20.734 -0.426 1.00 0.00 C ATOM 212 CD LYS 1 16 2.585 -21.961 -1.038 1.00 0.00 C ATOM 213 CE LYS 1 16 1.384 -21.553 -1.893 1.00 0.00 C ATOM 214 NZ LYS 1 16 1.010 -22.648 -2.815 1.00 0.00 N ATOM 0 H LYS 1 16 2.800 -17.516 0.423 1.00 0.00 H new ATOM 0 HA LYS 1 16 4.559 -17.878 -1.672 1.00 0.00 H new ATOM 0 HB2 LYS 1 16 3.545 -20.160 -2.486 1.00 0.00 H new ATOM 0 HB3 LYS 1 16 5.005 -20.084 -1.520 1.00 0.00 H new ATOM 0 HG2 LYS 1 16 4.009 -21.052 0.304 1.00 0.00 H new ATOM 0 HG3 LYS 1 16 2.529 -20.135 0.110 1.00 0.00 H new ATOM 0 HD2 LYS 1 16 3.301 -22.511 -1.649 1.00 0.00 H new ATOM 0 HD3 LYS 1 16 2.259 -22.634 -0.245 1.00 0.00 H new ATOM 0 HE2 LYS 1 16 0.539 -21.306 -1.250 1.00 0.00 H new ATOM 0 HE3 LYS 1 16 1.624 -20.655 -2.463 1.00 0.00 H new ATOM 0 HZ1 LYS 1 16 0.193 -22.355 -3.388 1.00 0.00 H new ATOM 0 HZ2 LYS 1 16 1.812 -22.864 -3.440 1.00 0.00 H new ATOM 0 HZ3 LYS 1 16 0.761 -23.495 -2.265 1.00 0.00 H new ATOM 228 N ASP 1 17 2.081 -16.631 -1.597 1.00 0.00 N ATOM 229 CA ASP 1 17 0.926 -15.984 -2.195 1.00 0.00 C ATOM 230 C ASP 1 17 1.114 -14.467 -2.146 1.00 0.00 C ATOM 231 O ASP 1 17 0.190 -13.713 -2.449 1.00 0.00 O ATOM 232 CB ASP 1 17 -0.354 -16.327 -1.430 1.00 0.00 C ATOM 233 CG ASP 1 17 -1.655 -15.972 -2.154 1.00 0.00 C ATOM 234 OD1 ASP 1 17 -1.660 -16.083 -3.398 1.00 0.00 O ATOM 235 OD2 ASP 1 17 -2.614 -15.598 -1.445 1.00 0.00 O ATOM 0 H ASP 1 17 2.556 -16.080 -0.882 1.00 0.00 H new ATOM 0 HA ASP 1 17 0.837 -16.335 -3.223 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 -0.355 -17.396 -1.215 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 -0.336 -15.809 -0.471 1.00 0.00 H new ATOM 240 N ARG 1 18 2.315 -14.063 -1.760 1.00 0.00 N ATOM 241 CA ARG 1 18 2.636 -12.649 -1.667 1.00 0.00 C ATOM 242 C ARG 1 18 3.228 -12.151 -2.987 1.00 0.00 C ATOM 243 O ARG 1 18 3.433 -12.934 -3.914 1.00 0.00 O ATOM 244 CB ARG 1 18 3.632 -12.383 -0.537 1.00 0.00 C ATOM 245 CG ARG 1 18 3.206 -13.097 0.748 1.00 0.00 C ATOM 246 CD ARG 1 18 4.405 -13.755 1.433 1.00 0.00 C ATOM 247 NE ARG 1 18 3.957 -14.505 2.628 1.00 0.00 N ATOM 248 CZ ARG 1 18 4.509 -14.384 3.842 1.00 0.00 C ATOM 249 NH1 ARG 1 18 5.533 -13.542 4.031 1.00 0.00 N ATOM 250 NH2 ARG 1 18 4.037 -15.105 4.869 1.00 0.00 N ATOM 0 H ARG 1 18 3.078 -14.691 -1.508 1.00 0.00 H new ATOM 0 HA ARG 1 18 1.711 -12.113 -1.454 1.00 0.00 H new ATOM 0 HB2 ARG 1 18 4.624 -12.723 -0.834 1.00 0.00 H new ATOM 0 HB3 ARG 1 18 3.703 -11.311 -0.355 1.00 0.00 H new ATOM 0 HG2 ARG 1 18 2.741 -12.383 1.428 1.00 0.00 H new ATOM 0 HG3 ARG 1 18 2.455 -13.852 0.517 1.00 0.00 H new ATOM 0 HD2 ARG 1 18 4.907 -14.428 0.738 1.00 0.00 H new ATOM 0 HD3 ARG 1 18 5.131 -12.995 1.722 1.00 0.00 H new ATOM 0 HE ARG 1 18 3.179 -15.155 2.520 1.00 0.00 H new ATOM 0 HH11 ARG 1 18 5.892 -12.993 3.250 1.00 0.00 H new ATOM 0 HH12 ARG 1 18 5.953 -13.450 4.956 1.00 0.00 H new ATOM 0 HH21 ARG 1 18 3.257 -15.746 4.726 1.00 0.00 H new ATOM 0 HH22 ARG 1 18 4.458 -15.012 5.793 1.00 0.00 H new ATOM 264 N VAL 1 19 3.487 -10.853 -3.030 1.00 0.00 N ATOM 265 CA VAL 1 19 4.052 -10.241 -4.221 1.00 0.00 C ATOM 266 C VAL 1 19 5.464 -9.739 -3.911 1.00 0.00 C ATOM 267 O VAL 1 19 5.971 -8.844 -4.585 1.00 0.00 O ATOM 268 CB VAL 1 19 3.125 -9.137 -4.732 1.00 0.00 C ATOM 269 CG1 VAL 1 19 3.609 -8.594 -6.079 1.00 0.00 C ATOM 270 CG2 VAL 1 19 1.681 -9.634 -4.829 1.00 0.00 C ATOM 0 H VAL 1 19 3.316 -10.207 -2.259 1.00 0.00 H new ATOM 0 HA VAL 1 19 4.136 -10.974 -5.023 1.00 0.00 H new ATOM 0 HB VAL 1 19 3.150 -8.319 -4.012 1.00 0.00 H new ATOM 0 HG11 VAL 1 19 2.932 -7.810 -6.420 1.00 0.00 H new ATOM 0 HG12 VAL 1 19 4.612 -8.183 -5.966 1.00 0.00 H new ATOM 0 HG13 VAL 1 19 3.627 -9.401 -6.811 1.00 0.00 H new ATOM 0 HG21 VAL 1 19 1.043 -8.829 -5.195 1.00 0.00 H new ATOM 0 HG22 VAL 1 19 1.632 -10.477 -5.518 1.00 0.00 H new ATOM 0 HG23 VAL 1 19 1.338 -9.950 -3.844 1.00 0.00 H new ATOM 280 N ASP 1 20 6.059 -10.338 -2.889 1.00 0.00 N ATOM 281 CA ASP 1 20 7.402 -9.963 -2.481 1.00 0.00 C ATOM 282 C ASP 1 20 7.614 -8.471 -2.748 1.00 0.00 C ATOM 283 O ASP 1 20 8.074 -8.088 -3.822 1.00 0.00 O ATOM 284 CB ASP 1 20 8.456 -10.738 -3.274 1.00 0.00 C ATOM 285 CG ASP 1 20 9.782 -10.004 -3.479 1.00 0.00 C ATOM 286 OD1 ASP 1 20 10.348 -9.558 -2.457 1.00 0.00 O ATOM 287 OD2 ASP 1 20 10.201 -9.905 -4.652 1.00 0.00 O ATOM 0 H ASP 1 20 5.635 -11.080 -2.332 1.00 0.00 H new ATOM 0 HA ASP 1 20 7.508 -10.192 -1.421 1.00 0.00 H new ATOM 0 HB2 ASP 1 20 8.655 -11.679 -2.761 1.00 0.00 H new ATOM 0 HB3 ASP 1 20 8.042 -10.988 -4.251 1.00 0.00 H new ATOM 292 N CYS 1 21 7.268 -7.669 -1.751 1.00 0.00 N ATOM 293 CA CYS 1 21 7.415 -6.228 -1.864 1.00 0.00 C ATOM 294 C CYS 1 21 8.834 -5.926 -2.348 1.00 0.00 C ATOM 295 O CYS 1 21 9.051 -4.964 -3.082 1.00 0.00 O ATOM 296 CB CYS 1 21 7.101 -5.523 -0.543 1.00 0.00 C ATOM 297 SG CYS 1 21 6.195 -3.941 -0.715 1.00 0.00 S ATOM 0 H CYS 1 21 6.886 -7.990 -0.861 1.00 0.00 H new ATOM 0 HA CYS 1 21 6.696 -5.842 -2.587 1.00 0.00 H new ATOM 0 HB2 CYS 1 21 6.514 -6.196 0.081 1.00 0.00 H new ATOM 0 HB3 CYS 1 21 8.037 -5.335 -0.016 1.00 0.00 H new ATOM 302 N GLY 1 22 9.763 -6.767 -1.919 1.00 0.00 N ATOM 303 CA GLY 1 22 11.156 -6.602 -2.300 1.00 0.00 C ATOM 304 C GLY 1 22 11.664 -5.206 -1.931 1.00 0.00 C ATOM 305 O GLY 1 22 12.130 -4.464 -2.794 1.00 0.00 O ATOM 0 H GLY 1 22 9.579 -7.565 -1.311 1.00 0.00 H new ATOM 0 HA2 GLY 1 22 11.765 -7.357 -1.803 1.00 0.00 H new ATOM 0 HA3 GLY 1 22 11.265 -6.761 -3.373 1.00 0.00 H new ATOM 309 N TYR 1 23 11.555 -4.891 -0.649 1.00 0.00 N ATOM 310 CA TYR 1 23 11.997 -3.597 -0.156 1.00 0.00 C ATOM 311 C TYR 1 23 13.462 -3.649 0.280 1.00 0.00 C ATOM 312 O TYR 1 23 13.892 -4.613 0.913 1.00 0.00 O ATOM 313 CB TYR 1 23 11.125 -3.291 1.063 1.00 0.00 C ATOM 314 CG TYR 1 23 10.609 -1.851 1.113 1.00 0.00 C ATOM 315 CD1 TYR 1 23 10.221 -1.217 -0.051 1.00 0.00 C ATOM 316 CD2 TYR 1 23 10.531 -1.187 2.319 1.00 0.00 C ATOM 317 CE1 TYR 1 23 9.736 0.138 -0.005 1.00 0.00 C ATOM 318 CE2 TYR 1 23 10.045 0.168 2.366 1.00 0.00 C ATOM 319 CZ TYR 1 23 9.672 0.764 1.202 1.00 0.00 C ATOM 320 OH TYR 1 23 9.214 2.043 1.245 1.00 0.00 O ATOM 0 H TYR 1 23 11.167 -5.509 0.064 1.00 0.00 H new ATOM 0 HA TYR 1 23 11.909 -2.839 -0.934 1.00 0.00 H new ATOM 0 HB2 TYR 1 23 10.274 -3.972 1.068 1.00 0.00 H new ATOM 0 HB3 TYR 1 23 11.699 -3.492 1.967 1.00 0.00 H new ATOM 0 HD1 TYR 1 23 10.281 -1.737 -0.995 1.00 0.00 H new ATOM 0 HD2 TYR 1 23 10.835 -1.683 3.229 1.00 0.00 H new ATOM 0 HE1 TYR 1 23 9.430 0.646 -0.908 1.00 0.00 H new ATOM 0 HE2 TYR 1 23 9.978 0.699 3.304 1.00 0.00 H new ATOM 0 HH TYR 1 23 9.748 2.561 1.883 1.00 0.00 H new ATOM 330 N PRO 1 24 14.209 -2.571 -0.083 1.00 0.00 N ATOM 331 CA PRO 1 24 15.616 -2.485 0.264 1.00 0.00 C ATOM 332 C PRO 1 24 15.796 -2.152 1.747 1.00 0.00 C ATOM 333 O PRO 1 24 16.918 -2.137 2.251 1.00 0.00 O ATOM 334 CB PRO 1 24 16.184 -1.417 -0.656 1.00 0.00 C ATOM 335 CG PRO 1 24 14.990 -0.622 -1.158 1.00 0.00 C ATOM 336 CD PRO 1 24 13.733 -1.412 -0.831 1.00 0.00 C ATOM 0 HA PRO 1 24 16.141 -3.431 0.127 1.00 0.00 H new ATOM 0 HB2 PRO 1 24 16.885 -0.775 -0.123 1.00 0.00 H new ATOM 0 HB3 PRO 1 24 16.731 -1.866 -1.485 1.00 0.00 H new ATOM 0 HG2 PRO 1 24 14.958 0.359 -0.684 1.00 0.00 H new ATOM 0 HG3 PRO 1 24 15.067 -0.455 -2.232 1.00 0.00 H new ATOM 0 HD2 PRO 1 24 13.035 -0.819 -0.240 1.00 0.00 H new ATOM 0 HD3 PRO 1 24 13.208 -1.714 -1.737 1.00 0.00 H new ATOM 344 N HIS 1 25 14.675 -1.895 2.403 1.00 0.00 N ATOM 345 CA HIS 1 25 14.694 -1.564 3.818 1.00 0.00 C ATOM 346 C HIS 1 25 13.797 -2.538 4.585 1.00 0.00 C ATOM 347 O HIS 1 25 13.395 -2.259 5.714 1.00 0.00 O ATOM 348 CB HIS 1 25 14.306 -0.100 4.039 1.00 0.00 C ATOM 349 CG HIS 1 25 15.483 0.825 4.236 1.00 0.00 C ATOM 350 ND1 HIS 1 25 16.369 0.695 5.291 1.00 0.00 N ATOM 351 CD2 HIS 1 25 15.911 1.891 3.503 1.00 0.00 C ATOM 352 CE1 HIS 1 25 17.284 1.647 5.188 1.00 0.00 C ATOM 353 NE2 HIS 1 25 16.999 2.389 4.079 1.00 0.00 N ATOM 0 H HIS 1 25 13.747 -1.909 1.981 1.00 0.00 H new ATOM 0 HA HIS 1 25 15.706 -1.673 4.207 1.00 0.00 H new ATOM 0 HB2 HIS 1 25 13.726 0.244 3.183 1.00 0.00 H new ATOM 0 HB3 HIS 1 25 13.656 -0.035 4.912 1.00 0.00 H new ATOM 0 HD2 HIS 1 25 15.444 2.267 2.605 1.00 0.00 H new ATOM 0 HE1 HIS 1 25 18.111 1.808 5.864 1.00 0.00 H new ATOM 0 HE2 HIS 1 25 17.533 3.192 3.748 1.00 0.00 H new ATOM 362 N VAL 1 26 13.510 -3.659 3.942 1.00 0.00 N ATOM 363 CA VAL 1 26 12.668 -4.676 4.550 1.00 0.00 C ATOM 364 C VAL 1 26 13.022 -4.804 6.033 1.00 0.00 C ATOM 365 O VAL 1 26 14.176 -5.046 6.381 1.00 0.00 O ATOM 366 CB VAL 1 26 12.806 -5.995 3.787 1.00 0.00 C ATOM 367 CG1 VAL 1 26 14.263 -6.251 3.394 1.00 0.00 C ATOM 368 CG2 VAL 1 26 12.245 -7.161 4.602 1.00 0.00 C ATOM 0 H VAL 1 26 13.845 -3.886 3.006 1.00 0.00 H new ATOM 0 HA VAL 1 26 11.618 -4.389 4.489 1.00 0.00 H new ATOM 0 HB VAL 1 26 12.221 -5.915 2.871 1.00 0.00 H new ATOM 0 HG11 VAL 1 26 14.334 -7.195 2.853 1.00 0.00 H new ATOM 0 HG12 VAL 1 26 14.616 -5.440 2.757 1.00 0.00 H new ATOM 0 HG13 VAL 1 26 14.879 -6.301 4.292 1.00 0.00 H new ATOM 0 HG21 VAL 1 26 12.356 -8.086 4.037 1.00 0.00 H new ATOM 0 HG22 VAL 1 26 12.790 -7.243 5.542 1.00 0.00 H new ATOM 0 HG23 VAL 1 26 11.189 -6.986 4.808 1.00 0.00 H new ATOM 378 N THR 1 27 12.006 -4.636 6.867 1.00 0.00 N ATOM 379 CA THR 1 27 12.193 -4.730 8.304 1.00 0.00 C ATOM 380 C THR 1 27 10.841 -4.828 9.014 1.00 0.00 C ATOM 381 O THR 1 27 9.830 -4.353 8.500 1.00 0.00 O ATOM 382 CB THR 1 27 13.029 -3.528 8.751 1.00 0.00 C ATOM 383 OG1 THR 1 27 14.194 -4.111 9.329 1.00 0.00 O ATOM 384 CG2 THR 1 27 12.381 -2.763 9.907 1.00 0.00 C ATOM 0 H THR 1 27 11.050 -4.435 6.574 1.00 0.00 H new ATOM 0 HA THR 1 27 12.732 -5.638 8.574 1.00 0.00 H new ATOM 0 HB THR 1 27 13.177 -2.854 7.907 1.00 0.00 H new ATOM 0 HG1 THR 1 27 14.647 -4.667 8.661 1.00 0.00 H new ATOM 0 HG21 THR 1 27 13.014 -1.920 10.186 1.00 0.00 H new ATOM 0 HG22 THR 1 27 11.403 -2.395 9.597 1.00 0.00 H new ATOM 0 HG23 THR 1 27 12.264 -3.428 10.763 1.00 0.00 H new ATOM 392 N PRO 1 28 10.868 -5.465 10.216 1.00 0.00 N ATOM 393 CA PRO 1 28 9.657 -5.631 11.002 1.00 0.00 C ATOM 394 C PRO 1 28 9.251 -4.316 11.668 1.00 0.00 C ATOM 395 O PRO 1 28 9.065 -4.263 12.883 1.00 0.00 O ATOM 396 CB PRO 1 28 9.986 -6.728 12.002 1.00 0.00 C ATOM 397 CG PRO 1 28 11.502 -6.809 12.049 1.00 0.00 C ATOM 398 CD PRO 1 28 12.047 -6.040 10.856 1.00 0.00 C ATOM 0 HA PRO 1 28 8.795 -5.909 10.395 1.00 0.00 H new ATOM 0 HB2 PRO 1 28 9.577 -6.496 12.985 1.00 0.00 H new ATOM 0 HB3 PRO 1 28 9.554 -7.680 11.694 1.00 0.00 H new ATOM 0 HG2 PRO 1 28 11.878 -6.386 12.980 1.00 0.00 H new ATOM 0 HG3 PRO 1 28 11.830 -7.848 12.016 1.00 0.00 H new ATOM 0 HD2 PRO 1 28 12.745 -5.264 11.170 1.00 0.00 H new ATOM 0 HD3 PRO 1 28 12.587 -6.697 10.174 1.00 0.00 H new ATOM 406 N LYS 1 29 9.125 -3.286 10.844 1.00 0.00 N ATOM 407 CA LYS 1 29 8.744 -1.974 11.338 1.00 0.00 C ATOM 408 C LYS 1 29 8.745 -0.976 10.179 1.00 0.00 C ATOM 409 O LYS 1 29 8.062 0.046 10.232 1.00 0.00 O ATOM 410 CB LYS 1 29 9.641 -1.560 12.507 1.00 0.00 C ATOM 411 CG LYS 1 29 9.223 -0.198 13.063 1.00 0.00 C ATOM 412 CD LYS 1 29 9.088 -0.245 14.586 1.00 0.00 C ATOM 413 CE LYS 1 29 7.631 -0.059 15.014 1.00 0.00 C ATOM 414 NZ LYS 1 29 7.544 0.165 16.475 1.00 0.00 N ATOM 0 H LYS 1 29 9.280 -3.334 9.837 1.00 0.00 H new ATOM 0 HA LYS 1 29 7.730 -1.998 11.737 1.00 0.00 H new ATOM 0 HB2 LYS 1 29 9.587 -2.311 13.295 1.00 0.00 H new ATOM 0 HB3 LYS 1 29 10.679 -1.519 12.177 1.00 0.00 H new ATOM 0 HG2 LYS 1 29 9.960 0.555 12.783 1.00 0.00 H new ATOM 0 HG3 LYS 1 29 8.274 0.104 12.619 1.00 0.00 H new ATOM 0 HD2 LYS 1 29 9.461 -1.199 14.958 1.00 0.00 H new ATOM 0 HD3 LYS 1 29 9.704 0.535 15.033 1.00 0.00 H new ATOM 0 HE2 LYS 1 29 7.195 0.788 14.484 1.00 0.00 H new ATOM 0 HE3 LYS 1 29 7.050 -0.940 14.740 1.00 0.00 H new ATOM 0 HZ1 LYS 1 29 6.548 0.289 16.748 1.00 0.00 H new ATOM 0 HZ2 LYS 1 29 7.941 -0.655 16.976 1.00 0.00 H new ATOM 0 HZ3 LYS 1 29 8.082 1.019 16.728 1.00 0.00 H new ATOM 428 N GLU 1 30 9.521 -1.306 9.157 1.00 0.00 N ATOM 429 CA GLU 1 30 9.621 -0.453 7.985 1.00 0.00 C ATOM 430 C GLU 1 30 8.624 -0.900 6.916 1.00 0.00 C ATOM 431 O GLU 1 30 7.967 -0.070 6.288 1.00 0.00 O ATOM 432 CB GLU 1 30 11.049 -0.441 7.435 1.00 0.00 C ATOM 433 CG GLU 1 30 11.753 0.876 7.764 1.00 0.00 C ATOM 434 CD GLU 1 30 12.724 0.702 8.934 1.00 0.00 C ATOM 435 OE1 GLU 1 30 13.829 0.173 8.681 1.00 0.00 O ATOM 436 OE2 GLU 1 30 12.340 1.100 10.055 1.00 0.00 O ATOM 0 H GLU 1 30 10.087 -2.154 9.116 1.00 0.00 H new ATOM 0 HA GLU 1 30 9.373 0.567 8.280 1.00 0.00 H new ATOM 0 HB2 GLU 1 30 11.612 -1.273 7.857 1.00 0.00 H new ATOM 0 HB3 GLU 1 30 11.028 -0.586 6.355 1.00 0.00 H new ATOM 0 HG2 GLU 1 30 12.294 1.232 6.887 1.00 0.00 H new ATOM 0 HG3 GLU 1 30 11.012 1.636 8.012 1.00 0.00 H new ATOM 443 N CYS 1 31 8.541 -2.211 6.740 1.00 0.00 N ATOM 444 CA CYS 1 31 7.635 -2.778 5.757 1.00 0.00 C ATOM 445 C CYS 1 31 6.206 -2.382 6.135 1.00 0.00 C ATOM 446 O CYS 1 31 5.493 -1.778 5.335 1.00 0.00 O ATOM 447 CB CYS 1 31 7.798 -4.296 5.648 1.00 0.00 C ATOM 448 SG CYS 1 31 9.313 -4.846 4.782 1.00 0.00 S ATOM 0 H CYS 1 31 9.087 -2.896 7.262 1.00 0.00 H new ATOM 0 HA CYS 1 31 7.871 -2.381 4.769 1.00 0.00 H new ATOM 0 HB2 CYS 1 31 7.796 -4.720 6.652 1.00 0.00 H new ATOM 0 HB3 CYS 1 31 6.931 -4.704 5.128 1.00 0.00 H new ATOM 453 N ASN 1 32 5.831 -2.739 7.355 1.00 0.00 N ATOM 454 CA ASN 1 32 4.500 -2.429 7.849 1.00 0.00 C ATOM 455 C ASN 1 32 4.348 -0.912 7.971 1.00 0.00 C ATOM 456 O ASN 1 32 3.274 -0.418 8.312 1.00 0.00 O ATOM 457 CB ASN 1 32 4.270 -3.041 9.233 1.00 0.00 C ATOM 458 CG ASN 1 32 3.465 -4.338 9.132 1.00 0.00 C ATOM 459 OD1 ASN 1 32 2.367 -4.458 9.650 1.00 0.00 O ATOM 460 ND2 ASN 1 32 4.069 -5.297 8.437 1.00 0.00 N ATOM 0 H ASN 1 32 6.425 -3.240 8.016 1.00 0.00 H new ATOM 0 HA ASN 1 32 3.775 -2.841 7.148 1.00 0.00 H new ATOM 0 HB2 ASN 1 32 5.229 -3.241 9.710 1.00 0.00 H new ATOM 0 HB3 ASN 1 32 3.741 -2.329 9.866 1.00 0.00 H new ATOM 0 HD21 ASN 1 32 3.612 -6.200 8.311 1.00 0.00 H new ATOM 0 HD22 ASN 1 32 4.989 -5.129 8.030 1.00 0.00 H new ATOM 467 N ASN 1 33 5.437 -0.214 7.686 1.00 0.00 N ATOM 468 CA ASN 1 33 5.438 1.237 7.760 1.00 0.00 C ATOM 469 C ASN 1 33 5.415 1.815 6.343 1.00 0.00 C ATOM 470 O ASN 1 33 4.915 2.918 6.128 1.00 0.00 O ATOM 471 CB ASN 1 33 6.696 1.753 8.461 1.00 0.00 C ATOM 472 CG ASN 1 33 6.819 3.271 8.322 1.00 0.00 C ATOM 473 OD1 ASN 1 33 5.925 4.026 8.670 1.00 0.00 O ATOM 474 ND2 ASN 1 33 7.970 3.676 7.794 1.00 0.00 N ATOM 0 H ASN 1 33 6.326 -0.627 7.403 1.00 0.00 H new ATOM 0 HA ASN 1 33 4.559 1.546 8.325 1.00 0.00 H new ATOM 0 HB2 ASN 1 33 6.665 1.482 9.516 1.00 0.00 H new ATOM 0 HB3 ASN 1 33 7.577 1.273 8.035 1.00 0.00 H new ATOM 0 HD21 ASN 1 33 8.147 4.671 7.659 1.00 0.00 H new ATOM 0 HD22 ASN 1 33 8.676 2.991 7.524 1.00 0.00 H new ATOM 481 N ARG 1 34 5.964 1.046 5.416 1.00 0.00 N ATOM 482 CA ARG 1 34 6.013 1.467 4.027 1.00 0.00 C ATOM 483 C ARG 1 34 4.713 1.094 3.312 1.00 0.00 C ATOM 484 O ARG 1 34 4.296 1.776 2.377 1.00 0.00 O ATOM 485 CB ARG 1 34 7.192 0.822 3.296 1.00 0.00 C ATOM 486 CG ARG 1 34 6.803 -0.546 2.729 1.00 0.00 C ATOM 487 CD ARG 1 34 6.100 -0.399 1.378 1.00 0.00 C ATOM 488 NE ARG 1 34 6.983 -0.881 0.293 1.00 0.00 N ATOM 489 CZ ARG 1 34 6.608 -0.989 -0.989 1.00 0.00 C ATOM 490 NH1 ARG 1 34 5.366 -0.649 -1.354 1.00 0.00 N ATOM 491 NH2 ARG 1 34 7.478 -1.436 -1.906 1.00 0.00 N ATOM 0 H ARG 1 34 6.379 0.133 5.600 1.00 0.00 H new ATOM 0 HA ARG 1 34 6.141 2.549 4.014 1.00 0.00 H new ATOM 0 HB2 ARG 1 34 7.524 1.474 2.488 1.00 0.00 H new ATOM 0 HB3 ARG 1 34 8.032 0.710 3.981 1.00 0.00 H new ATOM 0 HG2 ARG 1 34 7.694 -1.163 2.614 1.00 0.00 H new ATOM 0 HG3 ARG 1 34 6.147 -1.061 3.430 1.00 0.00 H new ATOM 0 HD2 ARG 1 34 5.169 -0.966 1.380 1.00 0.00 H new ATOM 0 HD3 ARG 1 34 5.837 0.645 1.207 1.00 0.00 H new ATOM 0 HE ARG 1 34 7.937 -1.148 0.536 1.00 0.00 H new ATOM 0 HH11 ARG 1 34 4.705 -0.308 -0.656 1.00 0.00 H new ATOM 0 HH12 ARG 1 34 5.081 -0.731 -2.330 1.00 0.00 H new ATOM 0 HH21 ARG 1 34 8.425 -1.694 -1.628 1.00 0.00 H new ATOM 0 HH22 ARG 1 34 7.193 -1.518 -2.882 1.00 0.00 H new ATOM 505 N GLY 1 35 4.108 0.011 3.779 1.00 0.00 N ATOM 506 CA GLY 1 35 2.864 -0.461 3.196 1.00 0.00 C ATOM 507 C GLY 1 35 2.961 -1.941 2.821 1.00 0.00 C ATOM 508 O GLY 1 35 2.215 -2.419 1.968 1.00 0.00 O ATOM 0 H GLY 1 35 4.457 -0.553 4.554 1.00 0.00 H new ATOM 0 HA2 GLY 1 35 2.048 -0.314 3.904 1.00 0.00 H new ATOM 0 HA3 GLY 1 35 2.627 0.128 2.310 1.00 0.00 H new ATOM 512 N CYS 1 36 3.887 -2.625 3.477 1.00 0.00 N ATOM 513 CA CYS 1 36 4.091 -4.041 3.223 1.00 0.00 C ATOM 514 C CYS 1 36 3.823 -4.806 4.522 1.00 0.00 C ATOM 515 O CYS 1 36 3.526 -4.202 5.552 1.00 0.00 O ATOM 516 CB CYS 1 36 5.492 -4.322 2.676 1.00 0.00 C ATOM 517 SG CYS 1 36 5.906 -3.425 1.134 1.00 0.00 S ATOM 0 H CYS 1 36 4.504 -2.225 4.184 1.00 0.00 H new ATOM 0 HA CYS 1 36 3.397 -4.378 2.453 1.00 0.00 H new ATOM 0 HB2 CYS 1 36 6.224 -4.061 3.440 1.00 0.00 H new ATOM 0 HB3 CYS 1 36 5.588 -5.392 2.495 1.00 0.00 H new ATOM 522 N CYS 1 37 3.937 -6.122 4.430 1.00 0.00 N ATOM 523 CA CYS 1 37 3.710 -6.975 5.585 1.00 0.00 C ATOM 524 C CYS 1 37 4.987 -7.777 5.847 1.00 0.00 C ATOM 525 O CYS 1 37 5.536 -8.394 4.935 1.00 0.00 O ATOM 526 CB CYS 1 37 2.496 -7.885 5.386 1.00 0.00 C ATOM 527 SG CYS 1 37 1.707 -8.460 6.934 1.00 0.00 S ATOM 0 H CYS 1 37 4.183 -6.619 3.574 1.00 0.00 H new ATOM 0 HA CYS 1 37 3.482 -6.360 6.456 1.00 0.00 H new ATOM 0 HB2 CYS 1 37 1.753 -7.352 4.792 1.00 0.00 H new ATOM 0 HB3 CYS 1 37 2.803 -8.755 4.806 1.00 0.00 H new ATOM 532 N PHE 1 38 5.423 -7.741 7.098 1.00 0.00 N ATOM 533 CA PHE 1 38 6.624 -8.457 7.493 1.00 0.00 C ATOM 534 C PHE 1 38 6.322 -9.933 7.755 1.00 0.00 C ATOM 535 O PHE 1 38 5.402 -10.259 8.503 1.00 0.00 O ATOM 536 CB PHE 1 38 7.123 -7.812 8.787 1.00 0.00 C ATOM 537 CG PHE 1 38 8.556 -8.198 9.162 1.00 0.00 C ATOM 538 CD1 PHE 1 38 9.607 -7.550 8.590 1.00 0.00 C ATOM 539 CD2 PHE 1 38 8.780 -9.188 10.067 1.00 0.00 C ATOM 540 CE1 PHE 1 38 10.936 -7.908 8.938 1.00 0.00 C ATOM 541 CE2 PHE 1 38 10.109 -9.546 10.415 1.00 0.00 C ATOM 542 CZ PHE 1 38 11.159 -8.899 9.844 1.00 0.00 C ATOM 0 H PHE 1 38 4.966 -7.227 7.851 1.00 0.00 H new ATOM 0 HA PHE 1 38 7.368 -8.403 6.698 1.00 0.00 H new ATOM 0 HB2 PHE 1 38 7.064 -6.728 8.687 1.00 0.00 H new ATOM 0 HB3 PHE 1 38 6.456 -8.094 9.602 1.00 0.00 H new ATOM 0 HD1 PHE 1 38 9.430 -6.763 7.871 1.00 0.00 H new ATOM 0 HD2 PHE 1 38 7.946 -9.702 10.521 1.00 0.00 H new ATOM 0 HE1 PHE 1 38 11.770 -7.394 8.484 1.00 0.00 H new ATOM 0 HE2 PHE 1 38 10.286 -10.333 11.134 1.00 0.00 H new ATOM 0 HZ PHE 1 38 12.170 -9.171 10.109 1.00 0.00 H new ATOM 552 N ASP 1 39 7.115 -10.788 7.125 1.00 0.00 N ATOM 553 CA ASP 1 39 6.944 -12.222 7.282 1.00 0.00 C ATOM 554 C ASP 1 39 7.202 -12.606 8.740 1.00 0.00 C ATOM 555 O ASP 1 39 6.331 -12.442 9.592 1.00 0.00 O ATOM 556 CB ASP 1 39 7.935 -12.994 6.407 1.00 0.00 C ATOM 557 CG ASP 1 39 8.055 -14.484 6.728 1.00 0.00 C ATOM 558 OD1 ASP 1 39 7.015 -15.171 6.639 1.00 0.00 O ATOM 559 OD2 ASP 1 39 9.187 -14.904 7.056 1.00 0.00 O ATOM 0 H ASP 1 39 7.877 -10.515 6.505 1.00 0.00 H new ATOM 0 HA ASP 1 39 5.926 -12.475 6.984 1.00 0.00 H new ATOM 0 HB2 ASP 1 39 7.637 -12.885 5.364 1.00 0.00 H new ATOM 0 HB3 ASP 1 39 8.919 -12.536 6.507 1.00 0.00 H new ATOM 564 N SER 1 40 8.403 -13.110 8.982 1.00 0.00 N ATOM 565 CA SER 1 40 8.787 -13.519 10.322 1.00 0.00 C ATOM 566 C SER 1 40 8.421 -14.988 10.546 1.00 0.00 C ATOM 567 O SER 1 40 8.789 -15.575 11.563 1.00 0.00 O ATOM 568 CB SER 1 40 8.117 -12.639 11.380 1.00 0.00 C ATOM 569 OG SER 1 40 8.920 -12.505 12.549 1.00 0.00 O ATOM 0 H SER 1 40 9.123 -13.244 8.272 1.00 0.00 H new ATOM 0 HA SER 1 40 9.866 -13.400 10.419 1.00 0.00 H new ATOM 0 HB2 SER 1 40 7.921 -11.653 10.960 1.00 0.00 H new ATOM 0 HB3 SER 1 40 7.152 -13.068 11.650 1.00 0.00 H new ATOM 0 HG SER 1 40 8.459 -11.935 13.199 1.00 0.00 H new ATOM 575 N ARG 1 41 7.703 -15.540 9.579 1.00 0.00 N ATOM 576 CA ARG 1 41 7.285 -16.929 9.658 1.00 0.00 C ATOM 577 C ARG 1 41 8.325 -17.835 8.995 1.00 0.00 C ATOM 578 O ARG 1 41 8.900 -18.706 9.647 1.00 0.00 O ATOM 579 CB ARG 1 41 5.931 -17.136 8.976 1.00 0.00 C ATOM 580 CG ARG 1 41 4.949 -16.027 9.360 1.00 0.00 C ATOM 581 CD ARG 1 41 3.645 -16.613 9.905 1.00 0.00 C ATOM 582 NE ARG 1 41 3.891 -17.275 11.205 1.00 0.00 N ATOM 583 CZ ARG 1 41 2.936 -17.856 11.946 1.00 0.00 C ATOM 584 NH1 ARG 1 41 1.667 -17.860 11.517 1.00 0.00 N ATOM 585 NH2 ARG 1 41 3.252 -18.431 13.113 1.00 0.00 N ATOM 0 H ARG 1 41 7.400 -15.050 8.737 1.00 0.00 H new ATOM 0 HA ARG 1 41 7.192 -17.188 10.713 1.00 0.00 H new ATOM 0 HB2 ARG 1 41 6.063 -17.151 7.894 1.00 0.00 H new ATOM 0 HB3 ARG 1 41 5.521 -18.105 9.261 1.00 0.00 H new ATOM 0 HG2 ARG 1 41 5.402 -15.379 10.110 1.00 0.00 H new ATOM 0 HG3 ARG 1 41 4.737 -15.407 8.489 1.00 0.00 H new ATOM 0 HD2 ARG 1 41 2.904 -15.823 10.025 1.00 0.00 H new ATOM 0 HD3 ARG 1 41 3.234 -17.330 9.194 1.00 0.00 H new ATOM 0 HE ARG 1 41 4.847 -17.291 11.560 1.00 0.00 H new ATOM 0 HH11 ARG 1 41 1.428 -17.422 10.628 1.00 0.00 H new ATOM 0 HH12 ARG 1 41 0.940 -18.302 12.080 1.00 0.00 H new ATOM 0 HH21 ARG 1 41 4.219 -18.427 13.438 1.00 0.00 H new ATOM 0 HH22 ARG 1 41 2.526 -18.873 13.677 1.00 0.00 H new ATOM 599 N ILE 1 42 8.535 -17.598 7.708 1.00 0.00 N ATOM 600 CA ILE 1 42 9.495 -18.383 6.951 1.00 0.00 C ATOM 601 C ILE 1 42 10.575 -17.455 6.388 1.00 0.00 C ATOM 602 O ILE 1 42 10.263 -16.426 5.788 1.00 0.00 O ATOM 603 CB ILE 1 42 8.784 -19.216 5.884 1.00 0.00 C ATOM 604 CG1 ILE 1 42 7.343 -19.522 6.297 1.00 0.00 C ATOM 605 CG2 ILE 1 42 9.571 -20.489 5.567 1.00 0.00 C ATOM 606 CD1 ILE 1 42 6.711 -20.552 5.360 1.00 0.00 C ATOM 0 H ILE 1 42 8.057 -16.874 7.171 1.00 0.00 H new ATOM 0 HA ILE 1 42 9.996 -19.101 7.600 1.00 0.00 H new ATOM 0 HB ILE 1 42 8.739 -18.628 4.967 1.00 0.00 H new ATOM 0 HG12 ILE 1 42 7.326 -19.897 7.320 1.00 0.00 H new ATOM 0 HG13 ILE 1 42 6.755 -18.604 6.284 1.00 0.00 H new ATOM 0 HG21 ILE 1 42 9.043 -21.063 4.805 1.00 0.00 H new ATOM 0 HG22 ILE 1 42 10.562 -20.222 5.199 1.00 0.00 H new ATOM 0 HG23 ILE 1 42 9.670 -21.090 6.471 1.00 0.00 H new ATOM 0 HD11 ILE 1 42 5.687 -20.751 5.676 1.00 0.00 H new ATOM 0 HD12 ILE 1 42 6.707 -20.163 4.342 1.00 0.00 H new ATOM 0 HD13 ILE 1 42 7.288 -21.476 5.394 1.00 0.00 H new ATOM 618 N PRO 1 43 11.853 -17.861 6.608 1.00 0.00 N ATOM 619 CA PRO 1 43 12.980 -17.077 6.129 1.00 0.00 C ATOM 620 C PRO 1 43 13.153 -17.232 4.617 1.00 0.00 C ATOM 621 O PRO 1 43 13.912 -16.491 3.996 1.00 0.00 O ATOM 622 CB PRO 1 43 14.175 -17.584 6.919 1.00 0.00 C ATOM 623 CG PRO 1 43 13.767 -18.940 7.470 1.00 0.00 C ATOM 624 CD PRO 1 43 12.261 -19.072 7.314 1.00 0.00 C ATOM 0 HA PRO 1 43 12.843 -16.006 6.282 1.00 0.00 H new ATOM 0 HB2 PRO 1 43 15.056 -17.670 6.282 1.00 0.00 H new ATOM 0 HB3 PRO 1 43 14.430 -16.896 7.725 1.00 0.00 H new ATOM 0 HG2 PRO 1 43 14.278 -19.740 6.934 1.00 0.00 H new ATOM 0 HG3 PRO 1 43 14.051 -19.027 8.519 1.00 0.00 H new ATOM 0 HD2 PRO 1 43 11.998 -19.967 6.750 1.00 0.00 H new ATOM 0 HD3 PRO 1 43 11.768 -19.150 8.283 1.00 0.00 H new ATOM 632 N GLY 1 44 12.436 -18.203 4.068 1.00 0.00 N ATOM 633 CA GLY 1 44 12.502 -18.464 2.640 1.00 0.00 C ATOM 634 C GLY 1 44 11.424 -17.681 1.889 1.00 0.00 C ATOM 635 O GLY 1 44 11.399 -17.673 0.660 1.00 0.00 O ATOM 0 H GLY 1 44 11.808 -18.817 4.586 1.00 0.00 H new ATOM 0 HA2 GLY 1 44 13.486 -18.189 2.262 1.00 0.00 H new ATOM 0 HA3 GLY 1 44 12.376 -19.531 2.456 1.00 0.00 H new ATOM 639 N VAL 1 45 10.556 -17.040 2.660 1.00 0.00 N ATOM 640 CA VAL 1 45 9.479 -16.255 2.084 1.00 0.00 C ATOM 641 C VAL 1 45 9.839 -14.770 2.159 1.00 0.00 C ATOM 642 O VAL 1 45 10.810 -14.395 2.813 1.00 0.00 O ATOM 643 CB VAL 1 45 8.158 -16.586 2.782 1.00 0.00 C ATOM 644 CG1 VAL 1 45 7.697 -15.425 3.662 1.00 0.00 C ATOM 645 CG2 VAL 1 45 7.080 -16.965 1.765 1.00 0.00 C ATOM 0 H VAL 1 45 10.578 -17.049 3.680 1.00 0.00 H new ATOM 0 HA VAL 1 45 9.346 -16.504 1.031 1.00 0.00 H new ATOM 0 HB VAL 1 45 8.327 -17.448 3.427 1.00 0.00 H new ATOM 0 HG11 VAL 1 45 6.756 -15.687 4.146 1.00 0.00 H new ATOM 0 HG12 VAL 1 45 8.452 -15.222 4.422 1.00 0.00 H new ATOM 0 HG13 VAL 1 45 7.554 -14.537 3.047 1.00 0.00 H new ATOM 0 HG21 VAL 1 45 6.152 -17.195 2.288 1.00 0.00 H new ATOM 0 HG22 VAL 1 45 6.915 -16.132 1.082 1.00 0.00 H new ATOM 0 HG23 VAL 1 45 7.404 -17.838 1.199 1.00 0.00 H new ATOM 655 N PRO 1 46 9.014 -13.943 1.463 1.00 0.00 N ATOM 656 CA PRO 1 46 9.235 -12.507 1.445 1.00 0.00 C ATOM 657 C PRO 1 46 8.812 -11.870 2.769 1.00 0.00 C ATOM 658 O PRO 1 46 7.636 -11.895 3.127 1.00 0.00 O ATOM 659 CB PRO 1 46 8.431 -12.000 0.259 1.00 0.00 C ATOM 660 CG PRO 1 46 7.424 -13.093 -0.061 1.00 0.00 C ATOM 661 CD PRO 1 46 7.852 -14.351 0.677 1.00 0.00 C ATOM 0 HA PRO 1 46 10.288 -12.245 1.337 1.00 0.00 H new ATOM 0 HB2 PRO 1 46 7.928 -11.064 0.500 1.00 0.00 H new ATOM 0 HB3 PRO 1 46 9.078 -11.803 -0.596 1.00 0.00 H new ATOM 0 HG2 PRO 1 46 6.423 -12.792 0.247 1.00 0.00 H new ATOM 0 HG3 PRO 1 46 7.386 -13.275 -1.135 1.00 0.00 H new ATOM 0 HD2 PRO 1 46 7.053 -14.726 1.317 1.00 0.00 H new ATOM 0 HD3 PRO 1 46 8.105 -15.151 -0.018 1.00 0.00 H new ATOM 669 N TRP 1 47 9.795 -11.314 3.463 1.00 0.00 N ATOM 670 CA TRP 1 47 9.539 -10.672 4.741 1.00 0.00 C ATOM 671 C TRP 1 47 9.115 -9.228 4.468 1.00 0.00 C ATOM 672 O TRP 1 47 9.367 -8.339 5.281 1.00 0.00 O ATOM 673 CB TRP 1 47 10.758 -10.773 5.660 1.00 0.00 C ATOM 674 CG TRP 1 47 11.783 -11.822 5.221 1.00 0.00 C ATOM 675 CD1 TRP 1 47 11.738 -13.148 5.409 1.00 0.00 C ATOM 676 CD2 TRP 1 47 13.012 -11.577 4.507 1.00 0.00 C ATOM 677 NE1 TRP 1 47 12.846 -13.772 4.872 1.00 0.00 N ATOM 678 CE2 TRP 1 47 13.644 -12.786 4.305 1.00 0.00 C ATOM 679 CE3 TRP 1 47 13.572 -10.372 4.046 1.00 0.00 C ATOM 680 CZ2 TRP 1 47 14.870 -12.909 3.639 1.00 0.00 C ATOM 681 CZ3 TRP 1 47 14.796 -10.511 3.383 1.00 0.00 C ATOM 682 CH2 TRP 1 47 15.446 -11.722 3.171 1.00 0.00 C ATOM 0 H TRP 1 47 10.770 -11.295 3.164 1.00 0.00 H new ATOM 0 HA TRP 1 47 8.732 -11.178 5.271 1.00 0.00 H new ATOM 0 HB2 TRP 1 47 11.247 -9.800 5.707 1.00 0.00 H new ATOM 0 HB3 TRP 1 47 10.421 -11.009 6.669 1.00 0.00 H new ATOM 0 HD1 TRP 1 47 10.936 -13.663 5.917 1.00 0.00 H new ATOM 0 HE1 TRP 1 47 13.043 -14.773 4.888 1.00 0.00 H new ATOM 0 HE3 TRP 1 47 13.094 -9.414 4.192 1.00 0.00 H new ATOM 0 HZ2 TRP 1 47 15.345 -13.868 3.494 1.00 0.00 H new ATOM 0 HZ3 TRP 1 47 15.269 -9.615 3.010 1.00 0.00 H new ATOM 0 HH2 TRP 1 47 16.391 -11.747 2.648 1.00 0.00 H new ATOM 693 N CYS 1 48 8.479 -9.038 3.321 1.00 0.00 N ATOM 694 CA CYS 1 48 8.018 -7.717 2.931 1.00 0.00 C ATOM 695 C CYS 1 48 7.140 -7.863 1.686 1.00 0.00 C ATOM 696 O CYS 1 48 7.650 -7.928 0.568 1.00 0.00 O ATOM 697 CB CYS 1 48 9.186 -6.756 2.697 1.00 0.00 C ATOM 698 SG CYS 1 48 8.774 -4.984 2.899 1.00 0.00 S ATOM 0 H CYS 1 48 8.272 -9.777 2.649 1.00 0.00 H new ATOM 0 HA CYS 1 48 7.431 -7.280 3.739 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 9.990 -7.009 3.388 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 9.571 -6.913 1.689 1.00 0.00 H new ATOM 703 N PHE 1 49 5.838 -7.910 1.921 1.00 0.00 N ATOM 704 CA PHE 1 49 4.885 -8.047 0.833 1.00 0.00 C ATOM 705 C PHE 1 49 3.684 -7.122 1.035 1.00 0.00 C ATOM 706 O PHE 1 49 3.666 -6.317 1.966 1.00 0.00 O ATOM 707 CB PHE 1 49 4.402 -9.499 0.841 1.00 0.00 C ATOM 708 CG PHE 1 49 4.380 -10.140 2.230 1.00 0.00 C ATOM 709 CD1 PHE 1 49 5.542 -10.319 2.914 1.00 0.00 C ATOM 710 CD2 PHE 1 49 3.200 -10.531 2.780 1.00 0.00 C ATOM 711 CE1 PHE 1 49 5.523 -10.913 4.203 1.00 0.00 C ATOM 712 CE2 PHE 1 49 3.180 -11.126 4.070 1.00 0.00 C ATOM 713 CZ PHE 1 49 4.341 -11.304 4.755 1.00 0.00 C ATOM 0 H PHE 1 49 5.420 -7.856 2.850 1.00 0.00 H new ATOM 0 HA PHE 1 49 5.359 -7.781 -0.112 1.00 0.00 H new ATOM 0 HB2 PHE 1 49 3.398 -9.540 0.417 1.00 0.00 H new ATOM 0 HB3 PHE 1 49 5.047 -10.089 0.190 1.00 0.00 H new ATOM 0 HD1 PHE 1 49 6.479 -10.009 2.476 1.00 0.00 H new ATOM 0 HD2 PHE 1 49 2.278 -10.389 2.236 1.00 0.00 H new ATOM 0 HE1 PHE 1 49 6.446 -11.055 4.746 1.00 0.00 H new ATOM 0 HE2 PHE 1 49 2.242 -11.437 4.507 1.00 0.00 H new ATOM 0 HZ PHE 1 49 4.326 -11.755 5.736 1.00 0.00 H new ATOM 723 N LYS 1 50 2.710 -7.266 0.149 1.00 0.00 N ATOM 724 CA LYS 1 50 1.508 -6.453 0.219 1.00 0.00 C ATOM 725 C LYS 1 50 0.284 -7.366 0.311 1.00 0.00 C ATOM 726 O LYS 1 50 -0.494 -7.464 -0.637 1.00 0.00 O ATOM 727 CB LYS 1 50 1.456 -5.471 -0.953 1.00 0.00 C ATOM 728 CG LYS 1 50 1.603 -6.203 -2.289 1.00 0.00 C ATOM 729 CD LYS 1 50 2.852 -5.734 -3.037 1.00 0.00 C ATOM 730 CE LYS 1 50 2.892 -4.207 -3.131 1.00 0.00 C ATOM 731 NZ LYS 1 50 3.006 -3.777 -4.542 1.00 0.00 N ATOM 0 H LYS 1 50 2.729 -7.934 -0.622 1.00 0.00 H new ATOM 0 HA LYS 1 50 1.516 -5.839 1.119 1.00 0.00 H new ATOM 0 HB2 LYS 1 50 0.512 -4.927 -0.934 1.00 0.00 H new ATOM 0 HB3 LYS 1 50 2.251 -4.733 -0.849 1.00 0.00 H new ATOM 0 HG2 LYS 1 50 1.661 -7.277 -2.114 1.00 0.00 H new ATOM 0 HG3 LYS 1 50 0.720 -6.027 -2.903 1.00 0.00 H new ATOM 0 HD2 LYS 1 50 3.744 -6.094 -2.525 1.00 0.00 H new ATOM 0 HD3 LYS 1 50 2.864 -6.164 -4.038 1.00 0.00 H new ATOM 0 HE2 LYS 1 50 1.989 -3.786 -2.688 1.00 0.00 H new ATOM 0 HE3 LYS 1 50 3.737 -3.824 -2.559 1.00 0.00 H new ATOM 0 HZ1 LYS 1 50 3.032 -2.738 -4.587 1.00 0.00 H new ATOM 0 HZ2 LYS 1 50 3.880 -4.163 -4.953 1.00 0.00 H new ATOM 0 HZ3 LYS 1 50 2.187 -4.127 -5.079 1.00 0.00 H new ATOM 745 N PRO 1 51 0.148 -8.027 1.492 1.00 0.00 N ATOM 746 CA PRO 1 51 -0.969 -8.930 1.719 1.00 0.00 C ATOM 747 C PRO 1 51 -2.262 -8.150 1.967 1.00 0.00 C ATOM 748 O PRO 1 51 -2.896 -7.677 1.026 1.00 0.00 O ATOM 749 CB PRO 1 51 -0.550 -9.780 2.908 1.00 0.00 C ATOM 750 CG PRO 1 51 0.575 -9.019 3.589 1.00 0.00 C ATOM 751 CD PRO 1 51 1.049 -7.935 2.636 1.00 0.00 C ATOM 0 HA PRO 1 51 -1.187 -9.557 0.855 1.00 0.00 H new ATOM 0 HB2 PRO 1 51 -1.385 -9.935 3.591 1.00 0.00 H new ATOM 0 HB3 PRO 1 51 -0.215 -10.766 2.585 1.00 0.00 H new ATOM 0 HG2 PRO 1 51 0.227 -8.580 4.524 1.00 0.00 H new ATOM 0 HG3 PRO 1 51 1.395 -9.693 3.839 1.00 0.00 H new ATOM 0 HD2 PRO 1 51 1.000 -6.950 3.101 1.00 0.00 H new ATOM 0 HD3 PRO 1 51 2.085 -8.095 2.338 1.00 0.00 H new ATOM 759 N LEU 1 52 -2.614 -8.040 3.240 1.00 0.00 N ATOM 760 CA LEU 1 52 -3.819 -7.326 3.623 1.00 0.00 C ATOM 761 C LEU 1 52 -3.466 -5.873 3.946 1.00 0.00 C ATOM 762 O LEU 1 52 -4.077 -5.261 4.820 1.00 0.00 O ATOM 763 CB LEU 1 52 -4.533 -8.054 4.765 1.00 0.00 C ATOM 764 CG LEU 1 52 -4.066 -7.703 6.179 1.00 0.00 C ATOM 765 CD1 LEU 1 52 -5.103 -6.839 6.900 1.00 0.00 C ATOM 766 CD2 LEU 1 52 -3.720 -8.965 6.971 1.00 0.00 C ATOM 0 H LEU 1 52 -2.085 -8.434 4.019 1.00 0.00 H new ATOM 0 HA LEU 1 52 -4.528 -7.305 2.796 1.00 0.00 H new ATOM 0 HB2 LEU 1 52 -5.600 -7.843 4.693 1.00 0.00 H new ATOM 0 HB3 LEU 1 52 -4.410 -9.127 4.619 1.00 0.00 H new ATOM 0 HG LEU 1 52 -3.153 -7.112 6.101 1.00 0.00 H new ATOM 0 HD11 LEU 1 52 -4.747 -6.604 7.903 1.00 0.00 H new ATOM 0 HD12 LEU 1 52 -5.257 -5.915 6.343 1.00 0.00 H new ATOM 0 HD13 LEU 1 52 -6.045 -7.383 6.968 1.00 0.00 H new ATOM 0 HD21 LEU 1 52 -3.391 -8.687 7.972 1.00 0.00 H new ATOM 0 HD22 LEU 1 52 -4.601 -9.603 7.042 1.00 0.00 H new ATOM 0 HD23 LEU 1 52 -2.921 -9.505 6.463 1.00 0.00 H new ATOM 778 N GLN 1 53 -2.480 -5.363 3.223 1.00 0.00 N ATOM 779 CA GLN 1 53 -2.038 -3.993 3.422 1.00 0.00 C ATOM 780 C GLN 1 53 -3.230 -3.036 3.360 1.00 0.00 C ATOM 781 O GLN 1 53 -3.165 -1.924 3.882 1.00 0.00 O ATOM 782 CB GLN 1 53 -0.971 -3.607 2.395 1.00 0.00 C ATOM 783 CG GLN 1 53 0.263 -4.501 2.526 1.00 0.00 C ATOM 784 CD GLN 1 53 0.839 -4.440 3.942 1.00 0.00 C ATOM 785 OE1 GLN 1 53 1.595 -3.550 4.294 1.00 0.00 O ATOM 786 NE2 GLN 1 53 0.439 -5.433 4.732 1.00 0.00 N ATOM 0 H GLN 1 53 -1.975 -5.873 2.499 1.00 0.00 H new ATOM 0 HA GLN 1 53 -1.588 -3.917 4.412 1.00 0.00 H new ATOM 0 HB2 GLN 1 53 -1.381 -3.692 1.389 1.00 0.00 H new ATOM 0 HB3 GLN 1 53 -0.686 -2.564 2.535 1.00 0.00 H new ATOM 0 HG2 GLN 1 53 -0.002 -5.530 2.282 1.00 0.00 H new ATOM 0 HG3 GLN 1 53 1.021 -4.188 1.808 1.00 0.00 H new ATOM 0 HE21 GLN 1 53 -0.196 -6.146 4.373 1.00 0.00 H new ATOM 0 HE22 GLN 1 53 0.767 -5.481 5.697 1.00 0.00 H new ATOM 795 N GLU 1 54 -4.291 -3.503 2.718 1.00 0.00 N ATOM 796 CA GLU 1 54 -5.495 -2.702 2.581 1.00 0.00 C ATOM 797 C GLU 1 54 -5.795 -1.967 3.888 1.00 0.00 C ATOM 798 O GLU 1 54 -6.424 -0.910 3.880 1.00 0.00 O ATOM 799 CB GLU 1 54 -6.683 -3.568 2.153 1.00 0.00 C ATOM 800 CG GLU 1 54 -7.421 -4.125 3.372 1.00 0.00 C ATOM 801 CD GLU 1 54 -8.424 -3.108 3.919 1.00 0.00 C ATOM 802 OE1 GLU 1 54 -8.934 -2.316 3.097 1.00 0.00 O ATOM 803 OE2 GLU 1 54 -8.658 -3.144 5.146 1.00 0.00 O ATOM 0 H GLU 1 54 -4.342 -4.426 2.287 1.00 0.00 H new ATOM 0 HA GLU 1 54 -5.328 -1.960 1.800 1.00 0.00 H new ATOM 0 HB2 GLU 1 54 -7.369 -2.977 1.547 1.00 0.00 H new ATOM 0 HB3 GLU 1 54 -6.333 -4.390 1.528 1.00 0.00 H new ATOM 0 HG2 GLU 1 54 -7.941 -5.043 3.098 1.00 0.00 H new ATOM 0 HG3 GLU 1 54 -6.702 -4.386 4.149 1.00 0.00 H new ATOM 810 N ALA 1 55 -5.331 -2.556 4.982 1.00 0.00 N ATOM 811 CA ALA 1 55 -5.542 -1.970 6.294 1.00 0.00 C ATOM 812 C ALA 1 55 -5.432 -0.447 6.192 1.00 0.00 C ATOM 813 O ALA 1 55 -6.434 0.260 6.280 1.00 0.00 O ATOM 814 CB ALA 1 55 -4.538 -2.561 7.285 1.00 0.00 C ATOM 0 H ALA 1 55 -4.810 -3.433 4.985 1.00 0.00 H new ATOM 0 HA ALA 1 55 -6.541 -2.205 6.662 1.00 0.00 H new ATOM 0 HB1 ALA 1 55 -4.697 -2.121 8.270 1.00 0.00 H new ATOM 0 HB2 ALA 1 55 -4.677 -3.641 7.343 1.00 0.00 H new ATOM 0 HB3 ALA 1 55 -3.524 -2.343 6.949 1.00 0.00 H new ATOM 820 N GLU 1 56 -4.203 0.014 6.006 1.00 0.00 N ATOM 821 CA GLU 1 56 -3.949 1.440 5.890 1.00 0.00 C ATOM 822 C GLU 1 56 -3.154 1.735 4.617 1.00 0.00 C ATOM 823 O GLU 1 56 -2.450 2.741 4.540 1.00 0.00 O ATOM 824 CB GLU 1 56 -3.219 1.969 7.127 1.00 0.00 C ATOM 825 CG GLU 1 56 -4.191 2.167 8.293 1.00 0.00 C ATOM 826 CD GLU 1 56 -3.743 3.324 9.188 1.00 0.00 C ATOM 827 OE1 GLU 1 56 -2.817 3.093 9.995 1.00 0.00 O ATOM 828 OE2 GLU 1 56 -4.338 4.415 9.046 1.00 0.00 O ATOM 0 H GLU 1 56 -3.373 -0.575 5.933 1.00 0.00 H new ATOM 0 HA GLU 1 56 -4.907 1.956 5.825 1.00 0.00 H new ATOM 0 HB2 GLU 1 56 -2.434 1.270 7.417 1.00 0.00 H new ATOM 0 HB3 GLU 1 56 -2.732 2.915 6.890 1.00 0.00 H new ATOM 0 HG2 GLU 1 56 -5.191 2.366 7.908 1.00 0.00 H new ATOM 0 HG3 GLU 1 56 -4.252 1.251 8.880 1.00 0.00 H new ATOM 835 N CYS 1 57 -3.292 0.841 3.649 1.00 0.00 N ATOM 836 CA CYS 1 57 -2.595 0.993 2.384 1.00 0.00 C ATOM 837 C CYS 1 57 -3.595 1.504 1.344 1.00 0.00 C ATOM 838 O CYS 1 57 -3.422 2.590 0.792 1.00 0.00 O ATOM 839 CB CYS 1 57 -1.931 -0.312 1.942 1.00 0.00 C ATOM 840 SG CYS 1 57 -0.519 -0.107 0.797 1.00 0.00 S ATOM 0 H CYS 1 57 -3.877 0.008 3.716 1.00 0.00 H new ATOM 0 HA CYS 1 57 -1.786 1.715 2.497 1.00 0.00 H new ATOM 0 HB2 CYS 1 57 -1.587 -0.846 2.828 1.00 0.00 H new ATOM 0 HB3 CYS 1 57 -2.681 -0.940 1.462 1.00 0.00 H new ATOM 845 N THR 1 58 -4.618 0.696 1.107 1.00 0.00 N ATOM 846 CA THR 1 58 -5.645 1.053 0.143 1.00 0.00 C ATOM 847 C THR 1 58 -6.476 2.231 0.659 1.00 0.00 C ATOM 848 O THR 1 58 -6.900 3.084 -0.119 1.00 0.00 O ATOM 849 CB THR 1 58 -6.479 -0.197 -0.144 1.00 0.00 C ATOM 850 OG1 THR 1 58 -7.282 0.170 -1.262 1.00 0.00 O ATOM 851 CG2 THR 1 58 -7.493 -0.493 0.962 1.00 0.00 C ATOM 0 H THR 1 58 -4.758 -0.204 1.566 1.00 0.00 H new ATOM 0 HA THR 1 58 -5.205 1.392 -0.795 1.00 0.00 H new ATOM 0 HB THR 1 58 -5.816 -1.054 -0.266 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -8.130 -0.319 -1.230 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -8.058 -1.390 0.707 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -6.968 -0.650 1.904 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -8.177 0.350 1.064 1.00 0.00 H new ATOM 859 N PHE 1 59 -6.682 2.239 1.968 1.00 0.00 N ATOM 860 CA PHE 1 59 -7.453 3.297 2.598 1.00 0.00 C ATOM 861 C PHE 1 59 -7.167 4.649 1.941 1.00 0.00 C ATOM 862 O PHE 1 59 -7.932 5.107 1.094 1.00 0.00 O ATOM 863 CB PHE 1 59 -7.022 3.353 4.064 1.00 0.00 C ATOM 864 CG PHE 1 59 -8.148 3.729 5.030 1.00 0.00 C ATOM 865 CD1 PHE 1 59 -9.130 2.831 5.312 1.00 0.00 C ATOM 866 CD2 PHE 1 59 -8.167 4.961 5.606 1.00 0.00 C ATOM 867 CE1 PHE 1 59 -10.175 3.179 6.208 1.00 0.00 C ATOM 868 CE2 PHE 1 59 -9.212 5.310 6.502 1.00 0.00 C ATOM 869 CZ PHE 1 59 -10.193 4.411 6.785 1.00 0.00 C ATOM 0 H PHE 1 59 -6.328 1.529 2.610 1.00 0.00 H new ATOM 0 HA PHE 1 59 -8.519 3.092 2.496 1.00 0.00 H new ATOM 0 HB2 PHE 1 59 -6.620 2.381 4.351 1.00 0.00 H new ATOM 0 HB3 PHE 1 59 -6.213 4.076 4.167 1.00 0.00 H new ATOM 0 HD1 PHE 1 59 -9.115 1.853 4.854 1.00 0.00 H new ATOM 0 HD2 PHE 1 59 -7.387 5.674 5.382 1.00 0.00 H new ATOM 0 HE1 PHE 1 59 -10.955 2.466 6.431 1.00 0.00 H new ATOM 0 HE2 PHE 1 59 -9.228 6.289 6.959 1.00 0.00 H new ATOM 0 HZ PHE 1 59 -10.987 4.675 7.468 1.00 0.00 H new TER 879 PHE 1 59 ATOM 880 N GLU 2 1 -21.814 5.292 -0.823 1.00 0.00 N ATOM 881 CA GLU 2 1 -21.131 4.410 -1.755 1.00 0.00 C ATOM 882 C GLU 2 1 -20.150 3.505 -1.007 1.00 0.00 C ATOM 883 O GLU 2 1 -19.686 3.849 0.078 1.00 0.00 O ATOM 884 CB GLU 2 1 -20.417 5.210 -2.846 1.00 0.00 C ATOM 885 CG GLU 2 1 -19.339 6.114 -2.244 1.00 0.00 C ATOM 886 CD GLU 2 1 -19.694 7.590 -2.433 1.00 0.00 C ATOM 887 OE1 GLU 2 1 -20.201 7.917 -3.527 1.00 0.00 O ATOM 888 OE2 GLU 2 1 -19.450 8.359 -1.477 1.00 0.00 O ATOM 0 H1 GLU 2 1 -21.787 6.267 -1.184 1.00 0.00 H new ATOM 0 H2 GLU 2 1 -22.803 4.989 -0.720 1.00 0.00 H new ATOM 0 H3 GLU 2 1 -21.341 5.252 0.102 1.00 0.00 H new ATOM 0 HA GLU 2 1 -21.876 3.781 -2.242 1.00 0.00 H new ATOM 0 HB2 GLU 2 1 -19.965 4.528 -3.566 1.00 0.00 H new ATOM 0 HB3 GLU 2 1 -21.141 5.815 -3.392 1.00 0.00 H new ATOM 0 HG2 GLU 2 1 -19.228 5.896 -1.182 1.00 0.00 H new ATOM 0 HG3 GLU 2 1 -18.379 5.904 -2.715 1.00 0.00 H new ATOM 895 N GLU 2 2 -19.864 2.364 -1.618 1.00 0.00 N ATOM 896 CA GLU 2 2 -18.946 1.407 -1.024 1.00 0.00 C ATOM 897 C GLU 2 2 -17.514 1.689 -1.484 1.00 0.00 C ATOM 898 O GLU 2 2 -17.061 2.831 -1.448 1.00 0.00 O ATOM 899 CB GLU 2 2 -19.357 -0.028 -1.360 1.00 0.00 C ATOM 900 CG GLU 2 2 -18.758 -1.018 -0.361 1.00 0.00 C ATOM 901 CD GLU 2 2 -18.765 -2.441 -0.926 1.00 0.00 C ATOM 902 OE1 GLU 2 2 -19.637 -2.706 -1.782 1.00 0.00 O ATOM 903 OE2 GLU 2 2 -17.900 -3.230 -0.490 1.00 0.00 O ATOM 0 H GLU 2 2 -20.252 2.081 -2.518 1.00 0.00 H new ATOM 0 HA GLU 2 2 -18.987 1.518 0.060 1.00 0.00 H new ATOM 0 HB2 GLU 2 2 -20.444 -0.110 -1.352 1.00 0.00 H new ATOM 0 HB3 GLU 2 2 -19.026 -0.278 -2.368 1.00 0.00 H new ATOM 0 HG2 GLU 2 2 -17.736 -0.724 -0.120 1.00 0.00 H new ATOM 0 HG3 GLU 2 2 -19.326 -0.990 0.569 1.00 0.00 H new ATOM 910 N TYR 2 3 -16.842 0.627 -1.904 1.00 0.00 N ATOM 911 CA TYR 2 3 -15.471 0.746 -2.370 1.00 0.00 C ATOM 912 C TYR 2 3 -15.402 1.548 -3.671 1.00 0.00 C ATOM 913 O TYR 2 3 -15.063 1.005 -4.721 1.00 0.00 O ATOM 914 CB TYR 2 3 -14.991 -0.682 -2.639 1.00 0.00 C ATOM 915 CG TYR 2 3 -16.021 -1.560 -3.354 1.00 0.00 C ATOM 916 CD1 TYR 2 3 -17.047 -0.977 -4.069 1.00 0.00 C ATOM 917 CD2 TYR 2 3 -15.924 -2.934 -3.282 1.00 0.00 C ATOM 918 CE1 TYR 2 3 -18.015 -1.803 -4.742 1.00 0.00 C ATOM 919 CE2 TYR 2 3 -16.892 -3.760 -3.955 1.00 0.00 C ATOM 920 CZ TYR 2 3 -17.891 -3.154 -4.652 1.00 0.00 C ATOM 921 OH TYR 2 3 -18.806 -3.934 -5.287 1.00 0.00 O ATOM 0 H TYR 2 3 -17.221 -0.319 -1.931 1.00 0.00 H new ATOM 0 HA TYR 2 3 -14.858 1.261 -1.630 1.00 0.00 H new ATOM 0 HB2 TYR 2 3 -14.083 -0.642 -3.240 1.00 0.00 H new ATOM 0 HB3 TYR 2 3 -14.725 -1.150 -1.691 1.00 0.00 H new ATOM 0 HD1 TYR 2 3 -17.124 0.099 -4.124 1.00 0.00 H new ATOM 0 HD2 TYR 2 3 -15.122 -3.390 -2.721 1.00 0.00 H new ATOM 0 HE1 TYR 2 3 -18.822 -1.359 -5.306 1.00 0.00 H new ATOM 0 HE2 TYR 2 3 -16.827 -4.837 -3.908 1.00 0.00 H new ATOM 0 HH TYR 2 3 -18.592 -4.878 -5.137 1.00 0.00 H new ATOM 931 N VAL 2 4 -15.728 2.827 -3.558 1.00 0.00 N ATOM 932 CA VAL 2 4 -15.706 3.709 -4.712 1.00 0.00 C ATOM 933 C VAL 2 4 -14.807 4.910 -4.415 1.00 0.00 C ATOM 934 O VAL 2 4 -13.898 5.216 -5.187 1.00 0.00 O ATOM 935 CB VAL 2 4 -17.133 4.111 -5.091 1.00 0.00 C ATOM 936 CG1 VAL 2 4 -17.131 5.160 -6.205 1.00 0.00 C ATOM 937 CG2 VAL 2 4 -17.960 2.887 -5.490 1.00 0.00 C ATOM 0 H VAL 2 4 -16.009 3.274 -2.685 1.00 0.00 H new ATOM 0 HA VAL 2 4 -15.286 3.195 -5.576 1.00 0.00 H new ATOM 0 HB VAL 2 4 -17.599 4.558 -4.213 1.00 0.00 H new ATOM 0 HG11 VAL 2 4 -18.158 5.428 -6.455 1.00 0.00 H new ATOM 0 HG12 VAL 2 4 -16.596 6.048 -5.868 1.00 0.00 H new ATOM 0 HG13 VAL 2 4 -16.637 4.753 -7.087 1.00 0.00 H new ATOM 0 HG21 VAL 2 4 -18.970 3.201 -5.755 1.00 0.00 H new ATOM 0 HG22 VAL 2 4 -17.496 2.398 -6.346 1.00 0.00 H new ATOM 0 HG23 VAL 2 4 -18.004 2.189 -4.654 1.00 0.00 H new ATOM 947 N GLY 2 5 -15.089 5.558 -3.295 1.00 0.00 N ATOM 948 CA GLY 2 5 -14.316 6.719 -2.885 1.00 0.00 C ATOM 949 C GLY 2 5 -12.916 6.310 -2.425 1.00 0.00 C ATOM 950 O GLY 2 5 -12.119 7.157 -2.022 1.00 0.00 O ATOM 0 H GLY 2 5 -15.843 5.301 -2.658 1.00 0.00 H new ATOM 0 HA2 GLY 2 5 -14.239 7.421 -3.715 1.00 0.00 H new ATOM 0 HA3 GLY 2 5 -14.832 7.237 -2.076 1.00 0.00 H new ATOM 954 N LEU 2 6 -12.659 5.012 -2.499 1.00 0.00 N ATOM 955 CA LEU 2 6 -11.368 4.480 -2.094 1.00 0.00 C ATOM 956 C LEU 2 6 -10.846 3.539 -3.179 1.00 0.00 C ATOM 957 O LEU 2 6 -9.856 2.838 -2.975 1.00 0.00 O ATOM 958 CB LEU 2 6 -11.465 3.833 -0.711 1.00 0.00 C ATOM 959 CG LEU 2 6 -12.523 2.738 -0.556 1.00 0.00 C ATOM 960 CD1 LEU 2 6 -13.933 3.335 -0.555 1.00 0.00 C ATOM 961 CD2 LEU 2 6 -12.358 1.660 -1.630 1.00 0.00 C ATOM 0 H LEU 2 6 -13.322 4.313 -2.833 1.00 0.00 H new ATOM 0 HA LEU 2 6 -10.639 5.284 -1.993 1.00 0.00 H new ATOM 0 HB2 LEU 2 6 -10.492 3.409 -0.461 1.00 0.00 H new ATOM 0 HB3 LEU 2 6 -11.670 4.615 0.021 1.00 0.00 H new ATOM 0 HG LEU 2 6 -12.376 2.255 0.410 1.00 0.00 H new ATOM 0 HD11 LEU 2 6 -14.666 2.536 -0.444 1.00 0.00 H new ATOM 0 HD12 LEU 2 6 -14.031 4.036 0.274 1.00 0.00 H new ATOM 0 HD13 LEU 2 6 -14.107 3.859 -1.495 1.00 0.00 H new ATOM 0 HD21 LEU 2 6 -13.122 0.894 -1.497 1.00 0.00 H new ATOM 0 HD22 LEU 2 6 -12.464 2.110 -2.617 1.00 0.00 H new ATOM 0 HD23 LEU 2 6 -11.371 1.207 -1.542 1.00 0.00 H new ATOM 973 N SER 2 7 -11.536 3.551 -4.311 1.00 0.00 N ATOM 974 CA SER 2 7 -11.154 2.706 -5.430 1.00 0.00 C ATOM 975 C SER 2 7 -10.516 3.553 -6.532 1.00 0.00 C ATOM 976 O SER 2 7 -10.123 4.695 -6.294 1.00 0.00 O ATOM 977 CB SER 2 7 -12.361 1.942 -5.979 1.00 0.00 C ATOM 978 OG SER 2 7 -11.977 0.946 -6.924 1.00 0.00 O ATOM 0 H SER 2 7 -12.357 4.133 -4.477 1.00 0.00 H new ATOM 0 HA SER 2 7 -10.426 1.976 -5.075 1.00 0.00 H new ATOM 0 HB2 SER 2 7 -12.898 1.472 -5.155 1.00 0.00 H new ATOM 0 HB3 SER 2 7 -13.050 2.643 -6.450 1.00 0.00 H new ATOM 0 HG SER 2 7 -12.428 1.114 -7.778 1.00 0.00 H new ATOM 984 N ALA 2 8 -10.431 2.962 -7.714 1.00 0.00 N ATOM 985 CA ALA 2 8 -9.846 3.649 -8.854 1.00 0.00 C ATOM 986 C ALA 2 8 -10.635 4.930 -9.132 1.00 0.00 C ATOM 987 O ALA 2 8 -11.520 4.947 -9.986 1.00 0.00 O ATOM 988 CB ALA 2 8 -9.821 2.707 -10.060 1.00 0.00 C ATOM 0 H ALA 2 8 -10.757 2.015 -7.908 1.00 0.00 H new ATOM 0 HA ALA 2 8 -8.816 3.935 -8.642 1.00 0.00 H new ATOM 0 HB1 ALA 2 8 -9.382 3.222 -10.915 1.00 0.00 H new ATOM 0 HB2 ALA 2 8 -9.224 1.826 -9.822 1.00 0.00 H new ATOM 0 HB3 ALA 2 8 -10.838 2.401 -10.304 1.00 0.00 H new ATOM 994 N ASN 2 9 -10.286 5.973 -8.392 1.00 0.00 N ATOM 995 CA ASN 2 9 -10.950 7.257 -8.549 1.00 0.00 C ATOM 996 C ASN 2 9 -10.539 8.181 -7.401 1.00 0.00 C ATOM 997 O ASN 2 9 -10.466 9.397 -7.575 1.00 0.00 O ATOM 998 CB ASN 2 9 -12.471 7.098 -8.506 1.00 0.00 C ATOM 999 CG ASN 2 9 -13.130 7.805 -9.693 1.00 0.00 C ATOM 1000 OD1 ASN 2 9 -13.852 7.213 -10.479 1.00 0.00 O ATOM 1001 ND2 ASN 2 9 -12.840 9.100 -9.780 1.00 0.00 N ATOM 0 H ASN 2 9 -9.553 5.955 -7.683 1.00 0.00 H new ATOM 0 HA ASN 2 9 -10.658 7.674 -9.513 1.00 0.00 H new ATOM 0 HB2 ASN 2 9 -12.730 6.039 -8.519 1.00 0.00 H new ATOM 0 HB3 ASN 2 9 -12.857 7.509 -7.573 1.00 0.00 H new ATOM 0 HD21 ASN 2 9 -13.229 9.660 -10.539 1.00 0.00 H new ATOM 0 HD22 ASN 2 9 -12.228 9.533 -9.088 1.00 0.00 H new ATOM 1008 N GLN 2 10 -10.283 7.570 -6.254 1.00 0.00 N ATOM 1009 CA GLN 2 10 -9.880 8.323 -5.078 1.00 0.00 C ATOM 1010 C GLN 2 10 -8.519 8.981 -5.309 1.00 0.00 C ATOM 1011 O GLN 2 10 -8.231 10.034 -4.742 1.00 0.00 O ATOM 1012 CB GLN 2 10 -9.855 7.430 -3.837 1.00 0.00 C ATOM 1013 CG GLN 2 10 -9.639 8.258 -2.568 1.00 0.00 C ATOM 1014 CD GLN 2 10 -9.662 7.370 -1.323 1.00 0.00 C ATOM 1015 OE1 GLN 2 10 -10.426 7.577 -0.395 1.00 0.00 O ATOM 1016 NE2 GLN 2 10 -8.784 6.371 -1.355 1.00 0.00 N ATOM 0 H GLN 2 10 -10.347 6.562 -6.114 1.00 0.00 H new ATOM 0 HA GLN 2 10 -10.615 9.108 -4.904 1.00 0.00 H new ATOM 0 HB2 GLN 2 10 -10.793 6.881 -3.761 1.00 0.00 H new ATOM 0 HB3 GLN 2 10 -9.060 6.691 -3.933 1.00 0.00 H new ATOM 0 HG2 GLN 2 10 -8.684 8.781 -2.629 1.00 0.00 H new ATOM 0 HG3 GLN 2 10 -10.415 9.020 -2.490 1.00 0.00 H new ATOM 0 HE21 GLN 2 10 -8.173 6.255 -2.164 1.00 0.00 H new ATOM 0 HE22 GLN 2 10 -8.722 5.722 -0.571 1.00 0.00 H new ATOM 1025 N CYS 2 11 -7.718 8.333 -6.141 1.00 0.00 N ATOM 1026 CA CYS 2 11 -6.393 8.842 -6.454 1.00 0.00 C ATOM 1027 C CYS 2 11 -6.553 10.123 -7.277 1.00 0.00 C ATOM 1028 O CYS 2 11 -5.568 10.789 -7.591 1.00 0.00 O ATOM 1029 CB CYS 2 11 -5.543 7.798 -7.182 1.00 0.00 C ATOM 1030 SG CYS 2 11 -3.877 8.373 -7.672 1.00 0.00 S ATOM 0 H CYS 2 11 -7.961 7.460 -6.608 1.00 0.00 H new ATOM 0 HA CYS 2 11 -5.860 9.068 -5.531 1.00 0.00 H new ATOM 0 HB2 CYS 2 11 -5.436 6.924 -6.539 1.00 0.00 H new ATOM 0 HB3 CYS 2 11 -6.077 7.473 -8.075 1.00 0.00 H new ATOM 1035 N ALA 2 12 -7.800 10.429 -7.600 1.00 0.00 N ATOM 1036 CA ALA 2 12 -8.101 11.618 -8.379 1.00 0.00 C ATOM 1037 C ALA 2 12 -8.863 12.615 -7.505 1.00 0.00 C ATOM 1038 O ALA 2 12 -9.387 13.610 -8.006 1.00 0.00 O ATOM 1039 CB ALA 2 12 -8.884 11.222 -9.633 1.00 0.00 C ATOM 0 H ALA 2 12 -8.614 9.874 -7.337 1.00 0.00 H new ATOM 0 HA ALA 2 12 -7.183 12.104 -8.709 1.00 0.00 H new ATOM 0 HB1 ALA 2 12 -9.110 12.114 -10.218 1.00 0.00 H new ATOM 0 HB2 ALA 2 12 -8.286 10.536 -10.234 1.00 0.00 H new ATOM 0 HB3 ALA 2 12 -9.814 10.734 -9.342 1.00 0.00 H new ATOM 1045 N VAL 2 13 -8.903 12.314 -6.216 1.00 0.00 N ATOM 1046 CA VAL 2 13 -9.593 13.173 -5.268 1.00 0.00 C ATOM 1047 C VAL 2 13 -9.306 14.636 -5.609 1.00 0.00 C ATOM 1048 O VAL 2 13 -8.360 14.934 -6.335 1.00 0.00 O ATOM 1049 CB VAL 2 13 -9.192 12.802 -3.838 1.00 0.00 C ATOM 1050 CG1 VAL 2 13 -8.456 13.958 -3.158 1.00 0.00 C ATOM 1051 CG2 VAL 2 13 -10.413 12.373 -3.021 1.00 0.00 C ATOM 0 H VAL 2 13 -8.469 11.487 -5.805 1.00 0.00 H new ATOM 0 HA VAL 2 13 -10.671 13.029 -5.337 1.00 0.00 H new ATOM 0 HB VAL 2 13 -8.509 11.954 -3.890 1.00 0.00 H new ATOM 0 HG11 VAL 2 13 -8.182 13.668 -2.143 1.00 0.00 H new ATOM 0 HG12 VAL 2 13 -7.555 14.198 -3.722 1.00 0.00 H new ATOM 0 HG13 VAL 2 13 -9.106 14.833 -3.123 1.00 0.00 H new ATOM 0 HG21 VAL 2 13 -10.101 12.115 -2.009 1.00 0.00 H new ATOM 0 HG22 VAL 2 13 -11.131 13.193 -2.981 1.00 0.00 H new ATOM 0 HG23 VAL 2 13 -10.878 11.506 -3.490 1.00 0.00 H new ATOM 1061 N PRO 2 14 -10.164 15.534 -5.054 1.00 0.00 N ATOM 1062 CA PRO 2 14 -10.012 16.960 -5.292 1.00 0.00 C ATOM 1063 C PRO 2 14 -8.841 17.528 -4.487 1.00 0.00 C ATOM 1064 O PRO 2 14 -8.859 18.694 -4.096 1.00 0.00 O ATOM 1065 CB PRO 2 14 -11.349 17.569 -4.904 1.00 0.00 C ATOM 1066 CG PRO 2 14 -12.040 16.534 -4.030 1.00 0.00 C ATOM 1067 CD PRO 2 14 -11.296 15.218 -4.189 1.00 0.00 C ATOM 0 HA PRO 2 14 -9.771 17.190 -6.330 1.00 0.00 H new ATOM 0 HB2 PRO 2 14 -11.210 18.506 -4.364 1.00 0.00 H new ATOM 0 HB3 PRO 2 14 -11.946 17.796 -5.787 1.00 0.00 H new ATOM 0 HG2 PRO 2 14 -12.036 16.851 -2.987 1.00 0.00 H new ATOM 0 HG3 PRO 2 14 -13.083 16.421 -4.325 1.00 0.00 H new ATOM 0 HD2 PRO 2 14 -10.963 14.833 -3.225 1.00 0.00 H new ATOM 0 HD3 PRO 2 14 -11.933 14.454 -4.634 1.00 0.00 H new ATOM 1075 N ALA 2 15 -7.850 16.677 -4.264 1.00 0.00 N ATOM 1076 CA ALA 2 15 -6.673 17.080 -3.512 1.00 0.00 C ATOM 1077 C ALA 2 15 -7.109 17.693 -2.180 1.00 0.00 C ATOM 1078 O ALA 2 15 -6.992 18.901 -1.981 1.00 0.00 O ATOM 1079 CB ALA 2 15 -5.837 18.046 -4.353 1.00 0.00 C ATOM 0 H ALA 2 15 -7.838 15.711 -4.591 1.00 0.00 H new ATOM 0 HA ALA 2 15 -6.046 16.217 -3.287 1.00 0.00 H new ATOM 0 HB1 ALA 2 15 -4.954 18.349 -3.790 1.00 0.00 H new ATOM 0 HB2 ALA 2 15 -5.528 17.552 -5.274 1.00 0.00 H new ATOM 0 HB3 ALA 2 15 -6.432 18.926 -4.595 1.00 0.00 H new ATOM 1085 N LYS 2 16 -7.602 16.832 -1.302 1.00 0.00 N ATOM 1086 CA LYS 2 16 -8.056 17.274 0.006 1.00 0.00 C ATOM 1087 C LYS 2 16 -8.919 16.180 0.638 1.00 0.00 C ATOM 1088 O LYS 2 16 -9.957 16.468 1.230 1.00 0.00 O ATOM 1089 CB LYS 2 16 -8.760 18.627 -0.101 1.00 0.00 C ATOM 1090 CG LYS 2 16 -9.583 18.718 -1.388 1.00 0.00 C ATOM 1091 CD LYS 2 16 -11.015 19.168 -1.093 1.00 0.00 C ATOM 1092 CE LYS 2 16 -11.839 18.021 -0.505 1.00 0.00 C ATOM 1093 NZ LYS 2 16 -12.094 18.250 0.934 1.00 0.00 N ATOM 0 H LYS 2 16 -7.697 15.831 -1.471 1.00 0.00 H new ATOM 0 HA LYS 2 16 -7.207 17.434 0.670 1.00 0.00 H new ATOM 0 HB2 LYS 2 16 -9.411 18.771 0.762 1.00 0.00 H new ATOM 0 HB3 LYS 2 16 -8.021 19.428 -0.081 1.00 0.00 H new ATOM 0 HG2 LYS 2 16 -9.112 19.420 -2.076 1.00 0.00 H new ATOM 0 HG3 LYS 2 16 -9.598 17.747 -1.884 1.00 0.00 H new ATOM 0 HD2 LYS 2 16 -11.001 20.005 -0.395 1.00 0.00 H new ATOM 0 HD3 LYS 2 16 -11.484 19.525 -2.010 1.00 0.00 H new ATOM 0 HE2 LYS 2 16 -12.785 17.935 -1.039 1.00 0.00 H new ATOM 0 HE3 LYS 2 16 -11.309 17.078 -0.641 1.00 0.00 H new ATOM 0 HZ1 LYS 2 16 -13.051 17.920 1.174 1.00 0.00 H new ATOM 0 HZ2 LYS 2 16 -11.395 17.726 1.498 1.00 0.00 H new ATOM 0 HZ3 LYS 2 16 -12.016 19.266 1.143 1.00 0.00 H new ATOM 1107 N ASP 2 17 -8.456 14.947 0.491 1.00 0.00 N ATOM 1108 CA ASP 2 17 -9.172 13.809 1.040 1.00 0.00 C ATOM 1109 C ASP 2 17 -8.210 12.628 1.186 1.00 0.00 C ATOM 1110 O ASP 2 17 -8.634 11.507 1.458 1.00 0.00 O ATOM 1111 CB ASP 2 17 -10.313 13.377 0.116 1.00 0.00 C ATOM 1112 CG ASP 2 17 -11.374 12.490 0.770 1.00 0.00 C ATOM 1113 OD1 ASP 2 17 -11.236 12.244 1.987 1.00 0.00 O ATOM 1114 OD2 ASP 2 17 -12.299 12.079 0.036 1.00 0.00 O ATOM 0 H ASP 2 17 -7.594 14.712 -0.001 1.00 0.00 H new ATOM 0 HA ASP 2 17 -9.582 14.104 2.006 1.00 0.00 H new ATOM 0 HB2 ASP 2 17 -10.799 14.270 -0.278 1.00 0.00 H new ATOM 0 HB3 ASP 2 17 -9.889 12.844 -0.735 1.00 0.00 H new ATOM 1119 N ARG 2 18 -6.932 12.920 0.997 1.00 0.00 N ATOM 1120 CA ARG 2 18 -5.906 11.897 1.104 1.00 0.00 C ATOM 1121 C ARG 2 18 -5.371 11.830 2.537 1.00 0.00 C ATOM 1122 O ARG 2 18 -5.795 12.599 3.399 1.00 0.00 O ATOM 1123 CB ARG 2 18 -4.746 12.178 0.148 1.00 0.00 C ATOM 1124 CG ARG 2 18 -5.259 12.501 -1.257 1.00 0.00 C ATOM 1125 CD ARG 2 18 -4.441 13.627 -1.895 1.00 0.00 C ATOM 1126 NE ARG 2 18 -4.818 13.781 -3.318 1.00 0.00 N ATOM 1127 CZ ARG 2 18 -4.019 14.314 -4.252 1.00 0.00 C ATOM 1128 NH1 ARG 2 18 -2.795 14.747 -3.919 1.00 0.00 N ATOM 1129 NH2 ARG 2 18 -4.443 14.415 -5.519 1.00 0.00 N ATOM 0 H ARG 2 18 -6.583 13.851 0.770 1.00 0.00 H new ATOM 0 HA ARG 2 18 -6.360 10.943 0.836 1.00 0.00 H new ATOM 0 HB2 ARG 2 18 -4.154 13.013 0.524 1.00 0.00 H new ATOM 0 HB3 ARG 2 18 -4.085 11.312 0.108 1.00 0.00 H new ATOM 0 HG2 ARG 2 18 -5.205 11.609 -1.881 1.00 0.00 H new ATOM 0 HG3 ARG 2 18 -6.308 12.792 -1.207 1.00 0.00 H new ATOM 0 HD2 ARG 2 18 -4.614 14.561 -1.361 1.00 0.00 H new ATOM 0 HD3 ARG 2 18 -3.377 13.406 -1.814 1.00 0.00 H new ATOM 0 HE ARG 2 18 -5.743 13.462 -3.605 1.00 0.00 H new ATOM 0 HH11 ARG 2 18 -2.472 14.671 -2.955 1.00 0.00 H new ATOM 0 HH12 ARG 2 18 -2.187 15.153 -4.630 1.00 0.00 H new ATOM 0 HH21 ARG 2 18 -5.375 14.086 -5.773 1.00 0.00 H new ATOM 0 HH22 ARG 2 18 -3.834 14.821 -6.230 1.00 0.00 H new ATOM 1143 N VAL 2 19 -4.449 10.902 2.746 1.00 0.00 N ATOM 1144 CA VAL 2 19 -3.851 10.724 4.059 1.00 0.00 C ATOM 1145 C VAL 2 19 -2.405 11.220 4.029 1.00 0.00 C ATOM 1146 O VAL 2 19 -1.608 10.875 4.900 1.00 0.00 O ATOM 1147 CB VAL 2 19 -3.973 9.262 4.495 1.00 0.00 C ATOM 1148 CG1 VAL 2 19 -3.760 9.120 6.003 1.00 0.00 C ATOM 1149 CG2 VAL 2 19 -5.321 8.674 4.073 1.00 0.00 C ATOM 0 H VAL 2 19 -4.101 10.265 2.029 1.00 0.00 H new ATOM 0 HA VAL 2 19 -4.382 11.317 4.804 1.00 0.00 H new ATOM 0 HB VAL 2 19 -3.189 8.696 3.992 1.00 0.00 H new ATOM 0 HG11 VAL 2 19 -3.852 8.071 6.286 1.00 0.00 H new ATOM 0 HG12 VAL 2 19 -2.766 9.481 6.266 1.00 0.00 H new ATOM 0 HG13 VAL 2 19 -4.510 9.706 6.533 1.00 0.00 H new ATOM 0 HG21 VAL 2 19 -5.381 7.634 4.395 1.00 0.00 H new ATOM 0 HG22 VAL 2 19 -6.127 9.244 4.534 1.00 0.00 H new ATOM 0 HG23 VAL 2 19 -5.416 8.724 2.988 1.00 0.00 H new ATOM 1159 N ASP 2 20 -2.109 12.023 3.016 1.00 0.00 N ATOM 1160 CA ASP 2 20 -0.772 12.570 2.861 1.00 0.00 C ATOM 1161 C ASP 2 20 0.252 11.550 3.361 1.00 0.00 C ATOM 1162 O ASP 2 20 0.680 11.608 4.513 1.00 0.00 O ATOM 1163 CB ASP 2 20 -0.603 13.851 3.679 1.00 0.00 C ATOM 1164 CG ASP 2 20 0.826 14.141 4.139 1.00 0.00 C ATOM 1165 OD1 ASP 2 20 1.616 14.599 3.284 1.00 0.00 O ATOM 1166 OD2 ASP 2 20 1.099 13.898 5.334 1.00 0.00 O ATOM 0 H ASP 2 20 -2.772 12.307 2.295 1.00 0.00 H new ATOM 0 HA ASP 2 20 -0.619 12.794 1.805 1.00 0.00 H new ATOM 0 HB2 ASP 2 20 -0.955 14.693 3.083 1.00 0.00 H new ATOM 0 HB3 ASP 2 20 -1.246 13.791 4.557 1.00 0.00 H new ATOM 1171 N CYS 2 21 0.619 10.640 2.470 1.00 0.00 N ATOM 1172 CA CYS 2 21 1.586 9.610 2.807 1.00 0.00 C ATOM 1173 C CYS 2 21 2.796 10.282 3.459 1.00 0.00 C ATOM 1174 O CYS 2 21 3.394 9.731 4.382 1.00 0.00 O ATOM 1175 CB CYS 2 21 1.983 8.784 1.582 1.00 0.00 C ATOM 1176 SG CYS 2 21 2.283 7.010 1.916 1.00 0.00 S ATOM 0 H CYS 2 21 0.264 10.595 1.515 1.00 0.00 H new ATOM 0 HA CYS 2 21 1.141 8.905 3.509 1.00 0.00 H new ATOM 0 HB2 CYS 2 21 1.196 8.870 0.833 1.00 0.00 H new ATOM 0 HB3 CYS 2 21 2.885 9.215 1.148 1.00 0.00 H new ATOM 1181 N GLY 2 22 3.121 11.462 2.952 1.00 0.00 N ATOM 1182 CA GLY 2 22 4.250 12.215 3.473 1.00 0.00 C ATOM 1183 C GLY 2 22 5.524 11.367 3.466 1.00 0.00 C ATOM 1184 O GLY 2 22 6.121 11.130 4.515 1.00 0.00 O ATOM 0 H GLY 2 22 2.623 11.915 2.186 1.00 0.00 H new ATOM 0 HA2 GLY 2 22 4.402 13.112 2.872 1.00 0.00 H new ATOM 0 HA3 GLY 2 22 4.034 12.545 4.489 1.00 0.00 H new ATOM 1188 N TYR 2 23 5.903 10.935 2.272 1.00 0.00 N ATOM 1189 CA TYR 2 23 7.095 10.120 2.115 1.00 0.00 C ATOM 1190 C TYR 2 23 8.320 10.990 1.825 1.00 0.00 C ATOM 1191 O TYR 2 23 8.235 11.956 1.070 1.00 0.00 O ATOM 1192 CB TYR 2 23 6.831 9.215 0.910 1.00 0.00 C ATOM 1193 CG TYR 2 23 6.671 7.736 1.266 1.00 0.00 C ATOM 1194 CD1 TYR 2 23 7.786 6.959 1.508 1.00 0.00 C ATOM 1195 CD2 TYR 2 23 5.411 7.177 1.346 1.00 0.00 C ATOM 1196 CE1 TYR 2 23 7.635 5.567 1.844 1.00 0.00 C ATOM 1197 CE2 TYR 2 23 5.260 5.785 1.682 1.00 0.00 C ATOM 1198 CZ TYR 2 23 6.379 5.049 1.914 1.00 0.00 C ATOM 1199 OH TYR 2 23 6.237 3.734 2.232 1.00 0.00 O ATOM 0 H TYR 2 23 5.405 11.134 1.404 1.00 0.00 H new ATOM 0 HA TYR 2 23 7.297 9.556 3.026 1.00 0.00 H new ATOM 0 HB2 TYR 2 23 5.928 9.556 0.403 1.00 0.00 H new ATOM 0 HB3 TYR 2 23 7.653 9.321 0.202 1.00 0.00 H new ATOM 0 HD1 TYR 2 23 8.772 7.395 1.445 1.00 0.00 H new ATOM 0 HD2 TYR 2 23 4.538 7.784 1.156 1.00 0.00 H new ATOM 0 HE1 TYR 2 23 8.499 4.948 2.036 1.00 0.00 H new ATOM 0 HE2 TYR 2 23 4.280 5.336 1.748 1.00 0.00 H new ATOM 0 HH TYR 2 23 5.299 3.471 2.124 1.00 0.00 H new ATOM 1209 N PRO 2 24 9.461 10.605 2.458 1.00 0.00 N ATOM 1210 CA PRO 2 24 10.701 11.339 2.276 1.00 0.00 C ATOM 1211 C PRO 2 24 11.319 11.041 0.908 1.00 0.00 C ATOM 1212 O PRO 2 24 12.348 11.613 0.550 1.00 0.00 O ATOM 1213 CB PRO 2 24 11.587 10.908 3.434 1.00 0.00 C ATOM 1214 CG PRO 2 24 10.991 9.610 3.954 1.00 0.00 C ATOM 1215 CD PRO 2 24 9.600 9.466 3.360 1.00 0.00 C ATOM 0 HA PRO 2 24 10.555 12.419 2.284 1.00 0.00 H new ATOM 0 HB2 PRO 2 24 12.616 10.761 3.105 1.00 0.00 H new ATOM 0 HB3 PRO 2 24 11.607 11.669 4.214 1.00 0.00 H new ATOM 0 HG2 PRO 2 24 11.616 8.763 3.672 1.00 0.00 H new ATOM 0 HG3 PRO 2 24 10.942 9.622 5.043 1.00 0.00 H new ATOM 0 HD2 PRO 2 24 9.494 8.522 2.825 1.00 0.00 H new ATOM 0 HD3 PRO 2 24 8.835 9.480 4.136 1.00 0.00 H new ATOM 1223 N HIS 2 25 10.665 10.148 0.181 1.00 0.00 N ATOM 1224 CA HIS 2 25 11.136 9.767 -1.140 1.00 0.00 C ATOM 1225 C HIS 2 25 10.015 9.963 -2.161 1.00 0.00 C ATOM 1226 O HIS 2 25 10.105 9.478 -3.288 1.00 0.00 O ATOM 1227 CB HIS 2 25 11.687 8.339 -1.130 1.00 0.00 C ATOM 1228 CG HIS 2 25 12.840 8.119 -2.079 1.00 0.00 C ATOM 1229 ND1 HIS 2 25 14.027 7.522 -1.691 1.00 0.00 N ATOM 1230 CD2 HIS 2 25 12.976 8.421 -3.403 1.00 0.00 C ATOM 1231 CE1 HIS 2 25 14.834 7.474 -2.741 1.00 0.00 C ATOM 1232 NE2 HIS 2 25 14.180 8.031 -3.801 1.00 0.00 N ATOM 0 H HIS 2 25 9.812 9.677 0.482 1.00 0.00 H new ATOM 0 HA HIS 2 25 11.964 10.412 -1.434 1.00 0.00 H new ATOM 0 HB2 HIS 2 25 12.010 8.092 -0.119 1.00 0.00 H new ATOM 0 HB3 HIS 2 25 10.883 7.649 -1.385 1.00 0.00 H new ATOM 0 HD2 HIS 2 25 12.230 8.897 -4.022 1.00 0.00 H new ATOM 0 HE1 HIS 2 25 15.834 7.066 -2.755 1.00 0.00 H new ATOM 0 HE2 HIS 2 25 14.555 8.131 -4.744 1.00 0.00 H new ATOM 1241 N VAL 2 26 8.983 10.674 -1.730 1.00 0.00 N ATOM 1242 CA VAL 2 26 7.845 10.939 -2.594 1.00 0.00 C ATOM 1243 C VAL 2 26 8.341 11.207 -4.016 1.00 0.00 C ATOM 1244 O VAL 2 26 9.204 12.058 -4.226 1.00 0.00 O ATOM 1245 CB VAL 2 26 7.013 12.091 -2.024 1.00 0.00 C ATOM 1246 CG1 VAL 2 26 7.913 13.233 -1.548 1.00 0.00 C ATOM 1247 CG2 VAL 2 26 5.991 12.588 -3.048 1.00 0.00 C ATOM 0 H VAL 2 26 8.911 11.074 -0.795 1.00 0.00 H new ATOM 0 HA VAL 2 26 7.188 10.071 -2.637 1.00 0.00 H new ATOM 0 HB VAL 2 26 6.465 11.714 -1.160 1.00 0.00 H new ATOM 0 HG11 VAL 2 26 7.298 14.039 -1.148 1.00 0.00 H new ATOM 0 HG12 VAL 2 26 8.584 12.868 -0.770 1.00 0.00 H new ATOM 0 HG13 VAL 2 26 8.500 13.607 -2.387 1.00 0.00 H new ATOM 0 HG21 VAL 2 26 5.413 13.406 -2.618 1.00 0.00 H new ATOM 0 HG22 VAL 2 26 6.511 12.940 -3.939 1.00 0.00 H new ATOM 0 HG23 VAL 2 26 5.320 11.772 -3.318 1.00 0.00 H new ATOM 1257 N THR 2 27 7.773 10.465 -4.956 1.00 0.00 N ATOM 1258 CA THR 2 27 8.146 10.612 -6.352 1.00 0.00 C ATOM 1259 C THR 2 27 7.172 9.845 -7.248 1.00 0.00 C ATOM 1260 O THR 2 27 6.542 8.885 -6.808 1.00 0.00 O ATOM 1261 CB THR 2 27 9.599 10.156 -6.504 1.00 0.00 C ATOM 1262 OG1 THR 2 27 10.282 11.320 -6.961 1.00 0.00 O ATOM 1263 CG2 THR 2 27 9.781 9.147 -7.639 1.00 0.00 C ATOM 0 H THR 2 27 7.057 9.760 -4.778 1.00 0.00 H new ATOM 0 HA THR 2 27 8.082 11.652 -6.671 1.00 0.00 H new ATOM 0 HB THR 2 27 9.940 9.714 -5.568 1.00 0.00 H new ATOM 0 HG1 THR 2 27 10.230 12.019 -6.277 1.00 0.00 H new ATOM 0 HG21 THR 2 27 10.830 8.857 -7.703 1.00 0.00 H new ATOM 0 HG22 THR 2 27 9.172 8.265 -7.443 1.00 0.00 H new ATOM 0 HG23 THR 2 27 9.471 9.599 -8.581 1.00 0.00 H new ATOM 1271 N PRO 2 28 7.076 10.309 -8.523 1.00 0.00 N ATOM 1272 CA PRO 2 28 6.189 9.678 -9.485 1.00 0.00 C ATOM 1273 C PRO 2 28 6.769 8.350 -9.976 1.00 0.00 C ATOM 1274 O PRO 2 28 6.805 8.091 -11.178 1.00 0.00 O ATOM 1275 CB PRO 2 28 6.021 10.701 -10.597 1.00 0.00 C ATOM 1276 CG PRO 2 28 7.179 11.673 -10.446 1.00 0.00 C ATOM 1277 CD PRO 2 28 7.805 11.444 -9.080 1.00 0.00 C ATOM 0 HA PRO 2 28 5.222 9.415 -9.056 1.00 0.00 H new ATOM 0 HB2 PRO 2 28 6.039 10.221 -11.575 1.00 0.00 H new ATOM 0 HB3 PRO 2 28 5.064 11.217 -10.512 1.00 0.00 H new ATOM 0 HG2 PRO 2 28 7.915 11.515 -11.234 1.00 0.00 H new ATOM 0 HG3 PRO 2 28 6.829 12.701 -10.538 1.00 0.00 H new ATOM 0 HD2 PRO 2 28 8.870 11.228 -9.164 1.00 0.00 H new ATOM 0 HD3 PRO 2 28 7.708 12.326 -8.447 1.00 0.00 H new ATOM 1285 N LYS 2 29 7.209 7.544 -9.021 1.00 0.00 N ATOM 1286 CA LYS 2 29 7.786 6.250 -9.341 1.00 0.00 C ATOM 1287 C LYS 2 29 8.173 5.533 -8.046 1.00 0.00 C ATOM 1288 O LYS 2 29 8.404 4.326 -8.046 1.00 0.00 O ATOM 1289 CB LYS 2 29 8.947 6.409 -10.326 1.00 0.00 C ATOM 1290 CG LYS 2 29 9.071 5.182 -11.231 1.00 0.00 C ATOM 1291 CD LYS 2 29 9.458 5.586 -12.655 1.00 0.00 C ATOM 1292 CE LYS 2 29 10.665 4.784 -13.145 1.00 0.00 C ATOM 1293 NZ LYS 2 29 10.712 4.770 -14.624 1.00 0.00 N ATOM 0 H LYS 2 29 7.177 7.762 -8.025 1.00 0.00 H new ATOM 0 HA LYS 2 29 7.053 5.622 -9.846 1.00 0.00 H new ATOM 0 HB2 LYS 2 29 8.793 7.300 -10.935 1.00 0.00 H new ATOM 0 HB3 LYS 2 29 9.877 6.555 -9.777 1.00 0.00 H new ATOM 0 HG2 LYS 2 29 9.820 4.502 -10.826 1.00 0.00 H new ATOM 0 HG3 LYS 2 29 8.125 4.641 -11.247 1.00 0.00 H new ATOM 0 HD2 LYS 2 29 8.613 5.424 -13.325 1.00 0.00 H new ATOM 0 HD3 LYS 2 29 9.689 6.651 -12.684 1.00 0.00 H new ATOM 0 HE2 LYS 2 29 11.583 5.219 -12.750 1.00 0.00 H new ATOM 0 HE3 LYS 2 29 10.608 3.763 -12.767 1.00 0.00 H new ATOM 0 HZ1 LYS 2 29 11.537 4.221 -14.940 1.00 0.00 H new ATOM 0 HZ2 LYS 2 29 9.844 4.334 -14.995 1.00 0.00 H new ATOM 0 HZ3 LYS 2 29 10.788 5.745 -14.978 1.00 0.00 H new ATOM 1307 N GLU 2 30 8.232 6.309 -6.974 1.00 0.00 N ATOM 1308 CA GLU 2 30 8.586 5.764 -5.675 1.00 0.00 C ATOM 1309 C GLU 2 30 7.330 5.544 -4.830 1.00 0.00 C ATOM 1310 O GLU 2 30 7.168 4.491 -4.213 1.00 0.00 O ATOM 1311 CB GLU 2 30 9.580 6.674 -4.951 1.00 0.00 C ATOM 1312 CG GLU 2 30 11.013 6.163 -5.117 1.00 0.00 C ATOM 1313 CD GLU 2 30 11.399 6.083 -6.595 1.00 0.00 C ATOM 1314 OE1 GLU 2 30 10.930 5.129 -7.252 1.00 0.00 O ATOM 1315 OE2 GLU 2 30 12.153 6.978 -7.034 1.00 0.00 O ATOM 0 H GLU 2 30 8.041 7.311 -6.979 1.00 0.00 H new ATOM 0 HA GLU 2 30 9.070 4.800 -5.828 1.00 0.00 H new ATOM 0 HB2 GLU 2 30 9.504 7.688 -5.344 1.00 0.00 H new ATOM 0 HB3 GLU 2 30 9.328 6.724 -3.892 1.00 0.00 H new ATOM 0 HG2 GLU 2 30 11.702 6.825 -4.593 1.00 0.00 H new ATOM 0 HG3 GLU 2 30 11.107 5.178 -4.659 1.00 0.00 H new ATOM 1322 N CYS 2 31 6.471 6.553 -4.830 1.00 0.00 N ATOM 1323 CA CYS 2 31 5.233 6.483 -4.071 1.00 0.00 C ATOM 1324 C CYS 2 31 4.469 5.234 -4.515 1.00 0.00 C ATOM 1325 O CYS 2 31 4.126 4.387 -3.692 1.00 0.00 O ATOM 1326 CB CYS 2 31 4.396 7.753 -4.236 1.00 0.00 C ATOM 1327 SG CYS 2 31 5.048 9.219 -3.356 1.00 0.00 S ATOM 0 H CYS 2 31 6.608 7.424 -5.343 1.00 0.00 H new ATOM 0 HA CYS 2 31 5.458 6.411 -3.007 1.00 0.00 H new ATOM 0 HB2 CYS 2 31 4.321 7.987 -5.298 1.00 0.00 H new ATOM 0 HB3 CYS 2 31 3.385 7.554 -3.882 1.00 0.00 H new ATOM 1332 N ASN 2 32 4.224 5.159 -5.815 1.00 0.00 N ATOM 1333 CA ASN 2 32 3.506 4.028 -6.378 1.00 0.00 C ATOM 1334 C ASN 2 32 4.298 2.746 -6.115 1.00 0.00 C ATOM 1335 O ASN 2 32 3.780 1.645 -6.299 1.00 0.00 O ATOM 1336 CB ASN 2 32 3.339 4.180 -7.891 1.00 0.00 C ATOM 1337 CG ASN 2 32 2.012 4.860 -8.232 1.00 0.00 C ATOM 1338 OD1 ASN 2 32 1.226 4.379 -9.031 1.00 0.00 O ATOM 1339 ND2 ASN 2 32 1.807 6.003 -7.581 1.00 0.00 N ATOM 0 H ASN 2 32 4.510 5.863 -6.495 1.00 0.00 H new ATOM 0 HA ASN 2 32 2.523 3.985 -5.910 1.00 0.00 H new ATOM 0 HB2 ASN 2 32 4.165 4.765 -8.294 1.00 0.00 H new ATOM 0 HB3 ASN 2 32 3.381 3.199 -8.365 1.00 0.00 H new ATOM 0 HD21 ASN 2 32 0.950 6.533 -7.738 1.00 0.00 H new ATOM 0 HD22 ASN 2 32 2.507 6.349 -6.925 1.00 0.00 H new ATOM 1346 N ASN 2 33 5.538 2.931 -5.689 1.00 0.00 N ATOM 1347 CA ASN 2 33 6.406 1.801 -5.400 1.00 0.00 C ATOM 1348 C ASN 2 33 6.329 1.475 -3.907 1.00 0.00 C ATOM 1349 O ASN 2 33 6.504 0.324 -3.510 1.00 0.00 O ATOM 1350 CB ASN 2 33 7.863 2.126 -5.736 1.00 0.00 C ATOM 1351 CG ASN 2 33 8.677 0.846 -5.938 1.00 0.00 C ATOM 1352 OD1 ASN 2 33 8.158 -0.258 -5.930 1.00 0.00 O ATOM 1353 ND2 ASN 2 33 9.978 1.056 -6.116 1.00 0.00 N ATOM 0 H ASN 2 33 5.963 3.846 -5.537 1.00 0.00 H new ATOM 0 HA ASN 2 33 6.075 0.957 -6.006 1.00 0.00 H new ATOM 0 HB2 ASN 2 33 7.905 2.734 -6.639 1.00 0.00 H new ATOM 0 HB3 ASN 2 33 8.302 2.718 -4.933 1.00 0.00 H new ATOM 0 HD21 ASN 2 33 10.607 0.266 -6.257 1.00 0.00 H new ATOM 0 HD22 ASN 2 33 10.346 2.007 -6.111 1.00 0.00 H new ATOM 1360 N ARG 2 34 6.065 2.508 -3.120 1.00 0.00 N ATOM 1361 CA ARG 2 34 5.962 2.344 -1.680 1.00 0.00 C ATOM 1362 C ARG 2 34 4.538 1.945 -1.292 1.00 0.00 C ATOM 1363 O ARG 2 34 4.323 1.333 -0.246 1.00 0.00 O ATOM 1364 CB ARG 2 34 6.340 3.635 -0.951 1.00 0.00 C ATOM 1365 CG ARG 2 34 7.524 4.324 -1.632 1.00 0.00 C ATOM 1366 CD ARG 2 34 8.618 4.666 -0.618 1.00 0.00 C ATOM 1367 NE ARG 2 34 9.951 4.421 -1.211 1.00 0.00 N ATOM 1368 CZ ARG 2 34 11.095 4.912 -0.716 1.00 0.00 C ATOM 1369 NH1 ARG 2 34 11.074 5.679 0.384 1.00 0.00 N ATOM 1370 NH2 ARG 2 34 12.259 4.639 -1.319 1.00 0.00 N ATOM 0 H ARG 2 34 5.919 3.461 -3.452 1.00 0.00 H new ATOM 0 HA ARG 2 34 6.656 1.557 -1.385 1.00 0.00 H new ATOM 0 HB2 ARG 2 34 5.484 4.310 -0.932 1.00 0.00 H new ATOM 0 HB3 ARG 2 34 6.592 3.411 0.085 1.00 0.00 H new ATOM 0 HG2 ARG 2 34 7.931 3.674 -2.406 1.00 0.00 H new ATOM 0 HG3 ARG 2 34 7.184 5.234 -2.126 1.00 0.00 H new ATOM 0 HD2 ARG 2 34 8.532 5.710 -0.315 1.00 0.00 H new ATOM 0 HD3 ARG 2 34 8.494 4.062 0.281 1.00 0.00 H new ATOM 0 HE ARG 2 34 10.002 3.842 -2.049 1.00 0.00 H new ATOM 0 HH11 ARG 2 34 10.187 5.888 0.843 1.00 0.00 H new ATOM 0 HH12 ARG 2 34 11.945 6.053 0.762 1.00 0.00 H new ATOM 0 HH21 ARG 2 34 12.275 4.057 -2.156 1.00 0.00 H new ATOM 0 HH22 ARG 2 34 13.129 5.013 -0.941 1.00 0.00 H new ATOM 1384 N GLY 2 35 3.599 2.307 -2.154 1.00 0.00 N ATOM 1385 CA GLY 2 35 2.201 1.994 -1.915 1.00 0.00 C ATOM 1386 C GLY 2 35 1.366 3.271 -1.796 1.00 0.00 C ATOM 1387 O GLY 2 35 0.288 3.259 -1.202 1.00 0.00 O ATOM 0 H GLY 2 35 3.780 2.815 -3.020 1.00 0.00 H new ATOM 0 HA2 GLY 2 35 1.818 1.379 -2.729 1.00 0.00 H new ATOM 0 HA3 GLY 2 35 2.107 1.407 -1.001 1.00 0.00 H new ATOM 1391 N CYS 2 36 1.895 4.341 -2.369 1.00 0.00 N ATOM 1392 CA CYS 2 36 1.212 5.624 -2.335 1.00 0.00 C ATOM 1393 C CYS 2 36 0.961 6.073 -3.775 1.00 0.00 C ATOM 1394 O CYS 2 36 1.516 5.502 -4.714 1.00 0.00 O ATOM 1395 CB CYS 2 36 2.005 6.666 -1.542 1.00 0.00 C ATOM 1396 SG CYS 2 36 2.418 6.174 0.171 1.00 0.00 S ATOM 0 H CYS 2 36 2.789 4.347 -2.860 1.00 0.00 H new ATOM 0 HA CYS 2 36 0.259 5.518 -1.817 1.00 0.00 H new ATOM 0 HB2 CYS 2 36 2.930 6.882 -2.076 1.00 0.00 H new ATOM 0 HB3 CYS 2 36 1.431 7.592 -1.511 1.00 0.00 H new ATOM 1401 N CYS 2 37 0.125 7.092 -3.906 1.00 0.00 N ATOM 1402 CA CYS 2 37 -0.206 7.625 -5.217 1.00 0.00 C ATOM 1403 C CYS 2 37 0.402 9.023 -5.335 1.00 0.00 C ATOM 1404 O CYS 2 37 0.297 9.830 -4.413 1.00 0.00 O ATOM 1405 CB CYS 2 37 -1.718 7.638 -5.457 1.00 0.00 C ATOM 1406 SG CYS 2 37 -2.216 7.553 -7.215 1.00 0.00 S ATOM 0 H CYS 2 37 -0.333 7.563 -3.126 1.00 0.00 H new ATOM 0 HA CYS 2 37 0.213 6.981 -5.990 1.00 0.00 H new ATOM 0 HB2 CYS 2 37 -2.163 6.796 -4.927 1.00 0.00 H new ATOM 0 HB3 CYS 2 37 -2.133 8.546 -5.020 1.00 0.00 H new ATOM 1411 N PHE 2 38 1.025 9.268 -6.479 1.00 0.00 N ATOM 1412 CA PHE 2 38 1.651 10.555 -6.729 1.00 0.00 C ATOM 1413 C PHE 2 38 0.735 11.458 -7.556 1.00 0.00 C ATOM 1414 O PHE 2 38 0.422 11.148 -8.705 1.00 0.00 O ATOM 1415 CB PHE 2 38 2.930 10.283 -7.523 1.00 0.00 C ATOM 1416 CG PHE 2 38 3.857 11.495 -7.644 1.00 0.00 C ATOM 1417 CD1 PHE 2 38 4.758 11.761 -6.661 1.00 0.00 C ATOM 1418 CD2 PHE 2 38 3.779 12.305 -8.734 1.00 0.00 C ATOM 1419 CE1 PHE 2 38 5.619 12.886 -6.773 1.00 0.00 C ATOM 1420 CE2 PHE 2 38 4.638 13.430 -8.845 1.00 0.00 C ATOM 1421 CZ PHE 2 38 5.541 13.696 -7.863 1.00 0.00 C ATOM 0 H PHE 2 38 1.109 8.597 -7.243 1.00 0.00 H new ATOM 0 HA PHE 2 38 1.857 11.058 -5.784 1.00 0.00 H new ATOM 0 HB2 PHE 2 38 3.475 9.468 -7.047 1.00 0.00 H new ATOM 0 HB3 PHE 2 38 2.660 9.944 -8.523 1.00 0.00 H new ATOM 0 HD1 PHE 2 38 4.819 11.118 -5.796 1.00 0.00 H new ATOM 0 HD2 PHE 2 38 3.064 12.092 -9.515 1.00 0.00 H new ATOM 0 HE1 PHE 2 38 6.335 13.098 -5.993 1.00 0.00 H new ATOM 0 HE2 PHE 2 38 4.574 14.075 -9.709 1.00 0.00 H new ATOM 0 HZ PHE 2 38 6.196 14.550 -7.949 1.00 0.00 H new ATOM 1431 N ASP 2 39 0.328 12.559 -6.939 1.00 0.00 N ATOM 1432 CA ASP 2 39 -0.547 13.509 -7.604 1.00 0.00 C ATOM 1433 C ASP 2 39 0.263 14.320 -8.617 1.00 0.00 C ATOM 1434 O ASP 2 39 0.302 13.983 -9.800 1.00 0.00 O ATOM 1435 CB ASP 2 39 -1.164 14.486 -6.601 1.00 0.00 C ATOM 1436 CG ASP 2 39 -1.465 15.879 -7.157 1.00 0.00 C ATOM 1437 OD1 ASP 2 39 -2.328 15.956 -8.058 1.00 0.00 O ATOM 1438 OD2 ASP 2 39 -0.827 16.836 -6.667 1.00 0.00 O ATOM 0 H ASP 2 39 0.588 12.813 -5.986 1.00 0.00 H new ATOM 0 HA ASP 2 39 -1.341 12.948 -8.096 1.00 0.00 H new ATOM 0 HB2 ASP 2 39 -2.090 14.055 -6.220 1.00 0.00 H new ATOM 0 HB3 ASP 2 39 -0.487 14.588 -5.753 1.00 0.00 H new ATOM 1443 N SER 2 40 0.891 15.374 -8.116 1.00 0.00 N ATOM 1444 CA SER 2 40 1.698 16.236 -8.963 1.00 0.00 C ATOM 1445 C SER 2 40 0.826 17.333 -9.577 1.00 0.00 C ATOM 1446 O SER 2 40 1.323 18.402 -9.929 1.00 0.00 O ATOM 1447 CB SER 2 40 2.393 15.433 -10.064 1.00 0.00 C ATOM 1448 OG SER 2 40 3.633 16.019 -10.450 1.00 0.00 O ATOM 0 H SER 2 40 0.857 15.650 -7.135 1.00 0.00 H new ATOM 0 HA SER 2 40 2.469 16.697 -8.345 1.00 0.00 H new ATOM 0 HB2 SER 2 40 2.566 14.415 -9.716 1.00 0.00 H new ATOM 0 HB3 SER 2 40 1.738 15.366 -10.932 1.00 0.00 H new ATOM 0 HG SER 2 40 4.046 15.476 -11.154 1.00 0.00 H new ATOM 1454 N ARG 2 41 -0.459 17.031 -9.687 1.00 0.00 N ATOM 1455 CA ARG 2 41 -1.406 17.978 -10.252 1.00 0.00 C ATOM 1456 C ARG 2 41 -1.541 19.200 -9.341 1.00 0.00 C ATOM 1457 O ARG 2 41 -1.568 20.334 -9.818 1.00 0.00 O ATOM 1458 CB ARG 2 41 -2.782 17.335 -10.439 1.00 0.00 C ATOM 1459 CG ARG 2 41 -2.652 15.911 -10.981 1.00 0.00 C ATOM 1460 CD ARG 2 41 -3.770 15.600 -11.979 1.00 0.00 C ATOM 1461 NE ARG 2 41 -3.546 16.348 -13.237 1.00 0.00 N ATOM 1462 CZ ARG 2 41 -4.474 16.509 -14.191 1.00 0.00 C ATOM 1463 NH1 ARG 2 41 -5.694 15.977 -14.035 1.00 0.00 N ATOM 1464 NH2 ARG 2 41 -4.183 17.202 -15.299 1.00 0.00 N ATOM 0 H ARG 2 41 -0.867 16.143 -9.394 1.00 0.00 H new ATOM 0 HA ARG 2 41 -1.026 18.287 -11.226 1.00 0.00 H new ATOM 0 HB2 ARG 2 41 -3.312 17.319 -9.487 1.00 0.00 H new ATOM 0 HB3 ARG 2 41 -3.378 17.936 -11.125 1.00 0.00 H new ATOM 0 HG2 ARG 2 41 -1.683 15.789 -11.465 1.00 0.00 H new ATOM 0 HG3 ARG 2 41 -2.688 15.199 -10.156 1.00 0.00 H new ATOM 0 HD2 ARG 2 41 -3.800 14.530 -12.183 1.00 0.00 H new ATOM 0 HD3 ARG 2 41 -4.736 15.870 -11.552 1.00 0.00 H new ATOM 0 HE ARG 2 41 -2.628 16.767 -13.387 1.00 0.00 H new ATOM 0 HH11 ARG 2 41 -5.916 15.450 -13.191 1.00 0.00 H new ATOM 0 HH12 ARG 2 41 -6.400 16.099 -14.761 1.00 0.00 H new ATOM 0 HH21 ARG 2 41 -3.255 17.608 -15.418 1.00 0.00 H new ATOM 0 HH22 ARG 2 41 -4.890 17.324 -16.024 1.00 0.00 H new ATOM 1478 N ILE 2 42 -1.623 18.929 -8.047 1.00 0.00 N ATOM 1479 CA ILE 2 42 -1.754 19.993 -7.066 1.00 0.00 C ATOM 1480 C ILE 2 42 -0.574 19.933 -6.094 1.00 0.00 C ATOM 1481 O ILE 2 42 -0.521 19.060 -5.229 1.00 0.00 O ATOM 1482 CB ILE 2 42 -3.120 19.922 -6.380 1.00 0.00 C ATOM 1483 CG1 ILE 2 42 -4.191 19.406 -7.342 1.00 0.00 C ATOM 1484 CG2 ILE 2 42 -3.499 21.275 -5.774 1.00 0.00 C ATOM 1485 CD1 ILE 2 42 -5.594 19.753 -6.839 1.00 0.00 C ATOM 0 H ILE 2 42 -1.601 17.988 -7.655 1.00 0.00 H new ATOM 0 HA ILE 2 42 -1.717 20.968 -7.553 1.00 0.00 H new ATOM 0 HB ILE 2 42 -3.053 19.208 -5.559 1.00 0.00 H new ATOM 0 HG12 ILE 2 42 -4.037 19.841 -8.330 1.00 0.00 H new ATOM 0 HG13 ILE 2 42 -4.097 18.326 -7.451 1.00 0.00 H new ATOM 0 HG21 ILE 2 42 -4.474 21.198 -5.293 1.00 0.00 H new ATOM 0 HG22 ILE 2 42 -2.752 21.565 -5.036 1.00 0.00 H new ATOM 0 HG23 ILE 2 42 -3.542 22.027 -6.562 1.00 0.00 H new ATOM 0 HD11 ILE 2 42 -6.336 19.375 -7.542 1.00 0.00 H new ATOM 0 HD12 ILE 2 42 -5.753 19.297 -5.862 1.00 0.00 H new ATOM 0 HD13 ILE 2 42 -5.693 20.835 -6.755 1.00 0.00 H new ATOM 1497 N PRO 2 43 0.367 20.897 -6.273 1.00 0.00 N ATOM 1498 CA PRO 2 43 1.543 20.963 -5.423 1.00 0.00 C ATOM 1499 C PRO 2 43 1.191 21.517 -4.041 1.00 0.00 C ATOM 1500 O PRO 2 43 2.048 21.595 -3.163 1.00 0.00 O ATOM 1501 CB PRO 2 43 2.529 21.839 -6.180 1.00 0.00 C ATOM 1502 CG PRO 2 43 1.704 22.607 -7.200 1.00 0.00 C ATOM 1503 CD PRO 2 43 0.339 21.948 -7.288 1.00 0.00 C ATOM 0 HA PRO 2 43 1.973 19.981 -5.225 1.00 0.00 H new ATOM 0 HB2 PRO 2 43 3.046 22.519 -5.504 1.00 0.00 H new ATOM 0 HB3 PRO 2 43 3.292 21.235 -6.670 1.00 0.00 H new ATOM 0 HG2 PRO 2 43 1.605 23.651 -6.903 1.00 0.00 H new ATOM 0 HG3 PRO 2 43 2.195 22.598 -8.173 1.00 0.00 H new ATOM 0 HD2 PRO 2 43 -0.459 22.664 -7.094 1.00 0.00 H new ATOM 0 HD3 PRO 2 43 0.162 21.535 -8.281 1.00 0.00 H new ATOM 1511 N GLY 2 44 -0.073 21.887 -3.892 1.00 0.00 N ATOM 1512 CA GLY 2 44 -0.550 22.430 -2.632 1.00 0.00 C ATOM 1513 C GLY 2 44 -1.070 21.320 -1.717 1.00 0.00 C ATOM 1514 O GLY 2 44 -1.403 21.569 -0.560 1.00 0.00 O ATOM 0 H GLY 2 44 -0.781 21.821 -4.623 1.00 0.00 H new ATOM 0 HA2 GLY 2 44 0.258 22.967 -2.135 1.00 0.00 H new ATOM 0 HA3 GLY 2 44 -1.344 23.152 -2.821 1.00 0.00 H new ATOM 1518 N VAL 2 45 -1.124 20.118 -2.271 1.00 0.00 N ATOM 1519 CA VAL 2 45 -1.598 18.968 -1.520 1.00 0.00 C ATOM 1520 C VAL 2 45 -0.504 17.899 -1.487 1.00 0.00 C ATOM 1521 O VAL 2 45 0.593 18.113 -1.998 1.00 0.00 O ATOM 1522 CB VAL 2 45 -2.914 18.459 -2.113 1.00 0.00 C ATOM 1523 CG1 VAL 2 45 -3.731 19.613 -2.699 1.00 0.00 C ATOM 1524 CG2 VAL 2 45 -2.659 17.378 -3.165 1.00 0.00 C ATOM 0 H VAL 2 45 -0.847 19.915 -3.232 1.00 0.00 H new ATOM 0 HA VAL 2 45 -1.810 19.248 -0.488 1.00 0.00 H new ATOM 0 HB VAL 2 45 -3.495 18.011 -1.307 1.00 0.00 H new ATOM 0 HG11 VAL 2 45 -4.661 19.226 -3.114 1.00 0.00 H new ATOM 0 HG12 VAL 2 45 -3.957 20.335 -1.914 1.00 0.00 H new ATOM 0 HG13 VAL 2 45 -3.158 20.101 -3.487 1.00 0.00 H new ATOM 0 HG21 VAL 2 45 -3.610 17.033 -3.571 1.00 0.00 H new ATOM 0 HG22 VAL 2 45 -2.049 17.790 -3.969 1.00 0.00 H new ATOM 0 HG23 VAL 2 45 -2.135 16.540 -2.706 1.00 0.00 H new ATOM 1534 N PRO 2 46 -0.851 16.739 -0.866 1.00 0.00 N ATOM 1535 CA PRO 2 46 0.088 15.636 -0.762 1.00 0.00 C ATOM 1536 C PRO 2 46 0.237 14.913 -2.102 1.00 0.00 C ATOM 1537 O PRO 2 46 -0.735 14.384 -2.637 1.00 0.00 O ATOM 1538 CB PRO 2 46 -0.472 14.745 0.334 1.00 0.00 C ATOM 1539 CG PRO 2 46 -1.935 15.132 0.479 1.00 0.00 C ATOM 1540 CD PRO 2 46 -2.143 16.449 -0.250 1.00 0.00 C ATOM 0 HA PRO 2 46 1.097 15.965 -0.513 1.00 0.00 H new ATOM 0 HB2 PRO 2 46 -0.371 13.692 0.071 1.00 0.00 H new ATOM 0 HB3 PRO 2 46 0.066 14.893 1.270 1.00 0.00 H new ATOM 0 HG2 PRO 2 46 -2.578 14.358 0.060 1.00 0.00 H new ATOM 0 HG3 PRO 2 46 -2.201 15.232 1.531 1.00 0.00 H new ATOM 0 HD2 PRO 2 46 -2.930 16.367 -1.000 1.00 0.00 H new ATOM 0 HD3 PRO 2 46 -2.440 17.240 0.438 1.00 0.00 H new ATOM 1548 N TRP 2 47 1.463 14.915 -2.605 1.00 0.00 N ATOM 1549 CA TRP 2 47 1.752 14.267 -3.873 1.00 0.00 C ATOM 1550 C TRP 2 47 2.175 12.825 -3.581 1.00 0.00 C ATOM 1551 O TRP 2 47 2.934 12.230 -4.345 1.00 0.00 O ATOM 1552 CB TRP 2 47 2.804 15.048 -4.662 1.00 0.00 C ATOM 1553 CG TRP 2 47 3.069 16.455 -4.121 1.00 0.00 C ATOM 1554 CD1 TRP 2 47 2.304 17.548 -4.252 1.00 0.00 C ATOM 1555 CD2 TRP 2 47 4.214 16.878 -3.351 1.00 0.00 C ATOM 1556 NE1 TRP 2 47 2.870 18.640 -3.627 1.00 0.00 N ATOM 1557 CE2 TRP 2 47 4.068 18.220 -3.061 1.00 0.00 C ATOM 1558 CE3 TRP 2 47 5.335 16.152 -2.915 1.00 0.00 C ATOM 1559 CZ2 TRP 2 47 5.007 18.951 -2.324 1.00 0.00 C ATOM 1560 CZ3 TRP 2 47 6.265 16.897 -2.178 1.00 0.00 C ATOM 1561 CH2 TRP 2 47 6.134 18.248 -1.878 1.00 0.00 C ATOM 0 H TRP 2 47 2.267 15.355 -2.158 1.00 0.00 H new ATOM 0 HA TRP 2 47 0.866 14.250 -4.507 1.00 0.00 H new ATOM 0 HB2 TRP 2 47 3.738 14.486 -4.658 1.00 0.00 H new ATOM 0 HB3 TRP 2 47 2.482 15.124 -5.701 1.00 0.00 H new ATOM 0 HD1 TRP 2 47 1.362 17.571 -4.781 1.00 0.00 H new ATOM 0 HE1 TRP 2 47 2.481 19.582 -3.588 1.00 0.00 H new ATOM 0 HE3 TRP 2 47 5.469 15.102 -3.131 1.00 0.00 H new ATOM 0 HZ2 TRP 2 47 4.870 20.001 -2.111 1.00 0.00 H new ATOM 0 HZ3 TRP 2 47 7.145 16.386 -1.818 1.00 0.00 H new ATOM 0 HH2 TRP 2 47 6.897 18.753 -1.304 1.00 0.00 H new ATOM 1572 N CYS 2 48 1.664 12.305 -2.474 1.00 0.00 N ATOM 1573 CA CYS 2 48 1.979 10.944 -2.072 1.00 0.00 C ATOM 1574 C CYS 2 48 0.984 10.521 -0.990 1.00 0.00 C ATOM 1575 O CYS 2 48 1.122 10.905 0.171 1.00 0.00 O ATOM 1576 CB CYS 2 48 3.427 10.816 -1.597 1.00 0.00 C ATOM 1577 SG CYS 2 48 4.083 9.108 -1.586 1.00 0.00 S ATOM 0 H CYS 2 48 1.034 12.801 -1.843 1.00 0.00 H new ATOM 0 HA CYS 2 48 1.887 10.278 -2.930 1.00 0.00 H new ATOM 0 HB2 CYS 2 48 4.060 11.429 -2.238 1.00 0.00 H new ATOM 0 HB3 CYS 2 48 3.502 11.225 -0.590 1.00 0.00 H new ATOM 1582 N PHE 2 49 0.002 9.737 -1.408 1.00 0.00 N ATOM 1583 CA PHE 2 49 -1.016 9.257 -0.490 1.00 0.00 C ATOM 1584 C PHE 2 49 -1.414 7.816 -0.815 1.00 0.00 C ATOM 1585 O PHE 2 49 -0.765 7.157 -1.625 1.00 0.00 O ATOM 1586 CB PHE 2 49 -2.238 10.162 -0.664 1.00 0.00 C ATOM 1587 CG PHE 2 49 -2.380 10.753 -2.068 1.00 0.00 C ATOM 1588 CD1 PHE 2 49 -1.458 11.640 -2.529 1.00 0.00 C ATOM 1589 CD2 PHE 2 49 -3.428 10.391 -2.856 1.00 0.00 C ATOM 1590 CE1 PHE 2 49 -1.590 12.188 -3.831 1.00 0.00 C ATOM 1591 CE2 PHE 2 49 -3.560 10.939 -4.158 1.00 0.00 C ATOM 1592 CZ PHE 2 49 -2.638 11.826 -4.619 1.00 0.00 C ATOM 0 H PHE 2 49 -0.110 9.422 -2.372 1.00 0.00 H new ATOM 0 HA PHE 2 49 -0.635 9.278 0.531 1.00 0.00 H new ATOM 0 HB2 PHE 2 49 -3.136 9.591 -0.429 1.00 0.00 H new ATOM 0 HB3 PHE 2 49 -2.180 10.977 0.058 1.00 0.00 H new ATOM 0 HD1 PHE 2 49 -0.625 11.927 -1.904 1.00 0.00 H new ATOM 0 HD2 PHE 2 49 -4.160 9.686 -2.490 1.00 0.00 H new ATOM 0 HE1 PHE 2 49 -0.858 12.893 -4.197 1.00 0.00 H new ATOM 0 HE2 PHE 2 49 -4.393 10.652 -4.783 1.00 0.00 H new ATOM 0 HZ PHE 2 49 -2.738 12.243 -5.610 1.00 0.00 H new ATOM 1602 N LYS 2 50 -2.479 7.369 -0.167 1.00 0.00 N ATOM 1603 CA LYS 2 50 -2.972 6.018 -0.377 1.00 0.00 C ATOM 1604 C LYS 2 50 -4.427 6.077 -0.844 1.00 0.00 C ATOM 1605 O LYS 2 50 -5.336 5.700 -0.105 1.00 0.00 O ATOM 1606 CB LYS 2 50 -2.762 5.170 0.878 1.00 0.00 C ATOM 1607 CG LYS 2 50 -2.227 6.022 2.032 1.00 0.00 C ATOM 1608 CD LYS 2 50 -0.708 6.178 1.939 1.00 0.00 C ATOM 1609 CE LYS 2 50 -0.030 4.826 1.705 1.00 0.00 C ATOM 1610 NZ LYS 2 50 -0.645 3.784 2.558 1.00 0.00 N ATOM 0 H LYS 2 50 -3.015 7.919 0.504 1.00 0.00 H new ATOM 0 HA LYS 2 50 -2.404 5.524 -1.166 1.00 0.00 H new ATOM 0 HB2 LYS 2 50 -3.704 4.706 1.170 1.00 0.00 H new ATOM 0 HB3 LYS 2 50 -2.062 4.362 0.663 1.00 0.00 H new ATOM 0 HG2 LYS 2 50 -2.699 7.004 2.013 1.00 0.00 H new ATOM 0 HG3 LYS 2 50 -2.491 5.560 2.983 1.00 0.00 H new ATOM 0 HD2 LYS 2 50 -0.458 6.859 1.126 1.00 0.00 H new ATOM 0 HD3 LYS 2 50 -0.328 6.625 2.858 1.00 0.00 H new ATOM 0 HE2 LYS 2 50 -0.119 4.545 0.656 1.00 0.00 H new ATOM 0 HE3 LYS 2 50 1.035 4.903 1.925 1.00 0.00 H new ATOM 0 HZ1 LYS 2 50 -0.100 2.902 2.477 1.00 0.00 H new ATOM 0 HZ2 LYS 2 50 -0.645 4.101 3.548 1.00 0.00 H new ATOM 0 HZ3 LYS 2 50 -1.624 3.615 2.249 1.00 0.00 H new ATOM 1624 N PRO 2 51 -4.609 6.565 -2.101 1.00 0.00 N ATOM 1625 CA PRO 2 51 -5.940 6.677 -2.674 1.00 0.00 C ATOM 1626 C PRO 2 51 -6.475 5.306 -3.092 1.00 0.00 C ATOM 1627 O PRO 2 51 -7.038 4.580 -2.274 1.00 0.00 O ATOM 1628 CB PRO 2 51 -5.784 7.635 -3.844 1.00 0.00 C ATOM 1629 CG PRO 2 51 -4.298 7.659 -4.168 1.00 0.00 C ATOM 1630 CD PRO 2 51 -3.557 7.019 -3.005 1.00 0.00 C ATOM 0 HA PRO 2 51 -6.674 7.054 -1.962 1.00 0.00 H new ATOM 0 HB2 PRO 2 51 -6.366 7.300 -4.703 1.00 0.00 H new ATOM 0 HB3 PRO 2 51 -6.143 8.631 -3.584 1.00 0.00 H new ATOM 0 HG2 PRO 2 51 -4.100 7.116 -5.092 1.00 0.00 H new ATOM 0 HG3 PRO 2 51 -3.957 8.683 -4.321 1.00 0.00 H new ATOM 0 HD2 PRO 2 51 -2.937 6.188 -3.340 1.00 0.00 H new ATOM 0 HD3 PRO 2 51 -2.895 7.734 -2.516 1.00 0.00 H new ATOM 1638 N LEU 2 52 -6.280 4.993 -4.364 1.00 0.00 N ATOM 1639 CA LEU 2 52 -6.735 3.722 -4.900 1.00 0.00 C ATOM 1640 C LEU 2 52 -5.556 2.750 -4.969 1.00 0.00 C ATOM 1641 O LEU 2 52 -5.434 1.983 -5.923 1.00 0.00 O ATOM 1642 CB LEU 2 52 -7.441 3.928 -6.241 1.00 0.00 C ATOM 1643 CG LEU 2 52 -6.549 3.880 -7.483 1.00 0.00 C ATOM 1644 CD1 LEU 2 52 -6.825 2.622 -8.309 1.00 0.00 C ATOM 1645 CD2 LEU 2 52 -6.699 5.156 -8.315 1.00 0.00 C ATOM 0 H LEU 2 52 -5.813 5.598 -5.039 1.00 0.00 H new ATOM 0 HA LEU 2 52 -7.478 3.275 -4.240 1.00 0.00 H new ATOM 0 HB2 LEU 2 52 -8.213 3.166 -6.343 1.00 0.00 H new ATOM 0 HB3 LEU 2 52 -7.947 4.893 -6.218 1.00 0.00 H new ATOM 0 HG LEU 2 52 -5.511 3.828 -7.156 1.00 0.00 H new ATOM 0 HD11 LEU 2 52 -6.178 2.613 -9.186 1.00 0.00 H new ATOM 0 HD12 LEU 2 52 -6.627 1.738 -7.703 1.00 0.00 H new ATOM 0 HD13 LEU 2 52 -7.867 2.617 -8.628 1.00 0.00 H new ATOM 0 HD21 LEU 2 52 -6.054 5.096 -9.192 1.00 0.00 H new ATOM 0 HD22 LEU 2 52 -7.736 5.263 -8.633 1.00 0.00 H new ATOM 0 HD23 LEU 2 52 -6.414 6.019 -7.713 1.00 0.00 H new ATOM 1657 N GLN 2 53 -4.718 2.812 -3.945 1.00 0.00 N ATOM 1658 CA GLN 2 53 -3.552 1.948 -3.878 1.00 0.00 C ATOM 1659 C GLN 2 53 -3.962 0.487 -4.079 1.00 0.00 C ATOM 1660 O GLN 2 53 -3.123 -0.360 -4.379 1.00 0.00 O ATOM 1661 CB GLN 2 53 -2.809 2.131 -2.553 1.00 0.00 C ATOM 1662 CG GLN 2 53 -2.302 3.566 -2.402 1.00 0.00 C ATOM 1663 CD GLN 2 53 -1.326 3.923 -3.525 1.00 0.00 C ATOM 1664 OE1 GLN 2 53 -1.333 5.018 -4.065 1.00 0.00 O ATOM 1665 NE2 GLN 2 53 -0.488 2.941 -3.847 1.00 0.00 N ATOM 0 H GLN 2 53 -4.823 3.448 -3.154 1.00 0.00 H new ATOM 0 HA GLN 2 53 -2.870 2.228 -4.681 1.00 0.00 H new ATOM 0 HB2 GLN 2 53 -3.472 1.887 -1.723 1.00 0.00 H new ATOM 0 HB3 GLN 2 53 -1.969 1.438 -2.504 1.00 0.00 H new ATOM 0 HG2 GLN 2 53 -3.145 4.257 -2.415 1.00 0.00 H new ATOM 0 HG3 GLN 2 53 -1.809 3.682 -1.437 1.00 0.00 H new ATOM 0 HE21 GLN 2 53 -0.535 2.048 -3.355 1.00 0.00 H new ATOM 0 HE22 GLN 2 53 0.202 3.081 -4.585 1.00 0.00 H new ATOM 1674 N GLU 2 54 -5.252 0.239 -3.906 1.00 0.00 N ATOM 1675 CA GLU 2 54 -5.783 -1.104 -4.065 1.00 0.00 C ATOM 1676 C GLU 2 54 -5.194 -1.763 -5.313 1.00 0.00 C ATOM 1677 O GLU 2 54 -5.179 -2.989 -5.423 1.00 0.00 O ATOM 1678 CB GLU 2 54 -7.313 -1.084 -4.125 1.00 0.00 C ATOM 1679 CG GLU 2 54 -7.803 -0.359 -5.379 1.00 0.00 C ATOM 1680 CD GLU 2 54 -9.213 -0.814 -5.761 1.00 0.00 C ATOM 1681 OE1 GLU 2 54 -10.098 -0.716 -4.884 1.00 0.00 O ATOM 1682 OE2 GLU 2 54 -9.373 -1.252 -6.920 1.00 0.00 O ATOM 0 H GLU 2 54 -5.945 0.945 -3.657 1.00 0.00 H new ATOM 0 HA GLU 2 54 -5.493 -1.694 -3.196 1.00 0.00 H new ATOM 0 HB2 GLU 2 54 -7.694 -2.105 -4.119 1.00 0.00 H new ATOM 0 HB3 GLU 2 54 -7.709 -0.591 -3.237 1.00 0.00 H new ATOM 0 HG2 GLU 2 54 -7.799 0.717 -5.206 1.00 0.00 H new ATOM 0 HG3 GLU 2 54 -7.119 -0.552 -6.205 1.00 0.00 H new ATOM 1689 N ALA 2 55 -4.723 -0.922 -6.222 1.00 0.00 N ATOM 1690 CA ALA 2 55 -4.134 -1.409 -7.458 1.00 0.00 C ATOM 1691 C ALA 2 55 -3.446 -2.750 -7.196 1.00 0.00 C ATOM 1692 O ALA 2 55 -3.881 -3.783 -7.702 1.00 0.00 O ATOM 1693 CB ALA 2 55 -3.170 -0.357 -8.012 1.00 0.00 C ATOM 0 H ALA 2 55 -4.737 0.093 -6.127 1.00 0.00 H new ATOM 0 HA ALA 2 55 -4.904 -1.576 -8.211 1.00 0.00 H new ATOM 0 HB1 ALA 2 55 -2.728 -0.721 -8.939 1.00 0.00 H new ATOM 0 HB2 ALA 2 55 -3.714 0.567 -8.208 1.00 0.00 H new ATOM 0 HB3 ALA 2 55 -2.381 -0.167 -7.284 1.00 0.00 H new ATOM 1699 N GLU 2 56 -2.383 -2.690 -6.407 1.00 0.00 N ATOM 1700 CA GLU 2 56 -1.632 -3.888 -6.072 1.00 0.00 C ATOM 1701 C GLU 2 56 -1.230 -3.867 -4.596 1.00 0.00 C ATOM 1702 O GLU 2 56 -0.399 -4.664 -4.165 1.00 0.00 O ATOM 1703 CB GLU 2 56 -0.403 -4.033 -6.973 1.00 0.00 C ATOM 1704 CG GLU 2 56 -0.798 -4.536 -8.363 1.00 0.00 C ATOM 1705 CD GLU 2 56 -0.969 -3.371 -9.340 1.00 0.00 C ATOM 1706 OE1 GLU 2 56 -1.391 -2.293 -8.870 1.00 0.00 O ATOM 1707 OE2 GLU 2 56 -0.672 -3.585 -10.535 1.00 0.00 O ATOM 0 H GLU 2 56 -2.024 -1.831 -5.990 1.00 0.00 H new ATOM 0 HA GLU 2 56 -2.271 -4.754 -6.242 1.00 0.00 H new ATOM 0 HB2 GLU 2 56 0.103 -3.072 -7.061 1.00 0.00 H new ATOM 0 HB3 GLU 2 56 0.305 -4.726 -6.519 1.00 0.00 H new ATOM 0 HG2 GLU 2 56 -0.035 -5.219 -8.736 1.00 0.00 H new ATOM 0 HG3 GLU 2 56 -1.728 -5.101 -8.299 1.00 0.00 H new ATOM 1714 N CYS 2 57 -1.839 -2.947 -3.863 1.00 0.00 N ATOM 1715 CA CYS 2 57 -1.556 -2.812 -2.444 1.00 0.00 C ATOM 1716 C CYS 2 57 -2.509 -3.728 -1.675 1.00 0.00 C ATOM 1717 O CYS 2 57 -2.069 -4.608 -0.935 1.00 0.00 O ATOM 1718 CB CYS 2 57 -1.664 -1.358 -1.982 1.00 0.00 C ATOM 1719 SG CYS 2 57 -0.369 -0.830 -0.800 1.00 0.00 S ATOM 0 H CYS 2 57 -2.528 -2.287 -4.225 1.00 0.00 H new ATOM 0 HA CYS 2 57 -0.527 -3.112 -2.245 1.00 0.00 H new ATOM 0 HB2 CYS 2 57 -1.624 -0.709 -2.857 1.00 0.00 H new ATOM 0 HB3 CYS 2 57 -2.640 -1.210 -1.520 1.00 0.00 H new ATOM 1724 N THR 2 58 -3.797 -3.491 -1.875 1.00 0.00 N ATOM 1725 CA THR 2 58 -4.816 -4.284 -1.209 1.00 0.00 C ATOM 1726 C THR 2 58 -4.701 -5.754 -1.619 1.00 0.00 C ATOM 1727 O THR 2 58 -4.963 -6.648 -0.816 1.00 0.00 O ATOM 1728 CB THR 2 58 -6.180 -3.669 -1.530 1.00 0.00 C ATOM 1729 OG1 THR 2 58 -7.043 -4.191 -0.525 1.00 0.00 O ATOM 1730 CG2 THR 2 58 -6.768 -4.200 -2.839 1.00 0.00 C ATOM 0 H THR 2 58 -4.158 -2.761 -2.489 1.00 0.00 H new ATOM 0 HA THR 2 58 -4.683 -4.269 -0.127 1.00 0.00 H new ATOM 0 HB THR 2 58 -6.084 -2.585 -1.588 1.00 0.00 H new ATOM 0 HG1 THR 2 58 -7.949 -3.841 -0.658 1.00 0.00 H new ATOM 0 HG21 THR 2 58 -7.736 -3.732 -3.020 1.00 0.00 H new ATOM 0 HG22 THR 2 58 -6.093 -3.967 -3.662 1.00 0.00 H new ATOM 0 HG23 THR 2 58 -6.895 -5.280 -2.769 1.00 0.00 H new ATOM 1738 N PHE 2 59 -4.307 -5.957 -2.867 1.00 0.00 N ATOM 1739 CA PHE 2 59 -4.154 -7.303 -3.393 1.00 0.00 C ATOM 1740 C PHE 2 59 -3.568 -8.242 -2.337 1.00 0.00 C ATOM 1741 O PHE 2 59 -3.043 -9.304 -2.667 1.00 0.00 O ATOM 1742 CB PHE 2 59 -3.185 -7.215 -4.573 1.00 0.00 C ATOM 1743 CG PHE 2 59 -3.869 -7.213 -5.942 1.00 0.00 C ATOM 1744 CD1 PHE 2 59 -4.888 -6.348 -6.192 1.00 0.00 C ATOM 1745 CD2 PHE 2 59 -3.458 -8.077 -6.909 1.00 0.00 C ATOM 1746 CE1 PHE 2 59 -5.524 -6.346 -7.462 1.00 0.00 C ATOM 1747 CE2 PHE 2 59 -4.093 -8.075 -8.179 1.00 0.00 C ATOM 1748 CZ PHE 2 59 -5.112 -7.210 -8.429 1.00 0.00 C ATOM 0 H PHE 2 59 -4.089 -5.213 -3.529 1.00 0.00 H new ATOM 0 HA PHE 2 59 -5.125 -7.697 -3.692 1.00 0.00 H new ATOM 0 HB2 PHE 2 59 -2.590 -6.307 -4.474 1.00 0.00 H new ATOM 0 HB3 PHE 2 59 -2.493 -8.056 -4.525 1.00 0.00 H new ATOM 0 HD1 PHE 2 59 -5.214 -5.662 -5.424 1.00 0.00 H new ATOM 0 HD2 PHE 2 59 -2.649 -8.764 -6.711 1.00 0.00 H new ATOM 0 HE1 PHE 2 59 -6.334 -5.659 -7.660 1.00 0.00 H new ATOM 0 HE2 PHE 2 59 -3.767 -8.761 -8.947 1.00 0.00 H new ATOM 0 HZ PHE 2 59 -5.594 -7.209 -9.395 1.00 0.00 H new TER 1758 PHE 2 59