USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 877 hydrogens (5 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: A 92 GLN : amide:sc= -12.7! C(o=-32!,f=-14!) USER MOD Set 1.2: A 95 GLN : amide:sc= -19.6! C(o=-32!,f=-14!) USER MOD Set 2.1: A 81 LYS NZ :NH3+ -149:sc= -5.32! (180deg=-10.8!) USER MOD Set 2.2: A 93 TYR OH : rot 38:sc= -8.53! USER MOD Set 2.3: A 94 HIS : no HE2:sc= -30.7! C(o=-45!,f=-49!) USER MOD Set 3.1: A 56 SER OG : rot -77:sc= 0.369 USER MOD Set 3.2: A 58 ASN : amide:sc= -2.56! C(o=-2.2!,f=-1.4!) USER MOD Set 4.1: A 39 SER OG : rot -150:sc= -1.74! USER MOD Set 4.2: A 44 THR OG1 : rot 75:sc= -10.5! USER MOD Set 4.3: A 46 THR OG1 : rot 68:sc= 0.0306 USER MOD Set 4.4: A 65 HIS : no HE2:sc= -21.5! C(o=-34!,f=-36!) USER MOD Set 5.1: A 13 ASN : amide:sc= -21.6! C(o=-60!,f=-53!) USER MOD Set 5.2: A 35 MET CE :methyl 173:sc= -38.1! (180deg=-32.2!) USER MOD Set 6.1: A 28 THR OG1 : rot 134:sc= -10.7! USER MOD Set 6.2: A 107 TYR OH : rot 97:sc= 0.0726 USER MOD Single : A 4 ASN : amide:sc= 0.233 K(o=0.23,f=-5.1!) USER MOD Single : A 5 ASN : amide:sc= -0.892! K(o=-0.89!,f=-2.3) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 150:sc= -3.76! USER MOD Single : A 12 TYR OH : rot 83:sc= -3.43! USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -130:sc= -25.5! (180deg=-35!) USER MOD Single : A 41 THR OG1 : rot -177:sc= -8.06! USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -40:sc= -12.2! USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 147:sc= -0.976! (180deg=-2.74!) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -120:sc= -2.45! (180deg=-5.83!) USER MOD Single : A 63 HIS : no HE2:sc= -24.8! C(o=-25!,f=-33!) USER MOD Single : A 64 TYR OH : rot -80:sc= -5.42! USER MOD Single : A 67 LYS NZ :NH3+ -119:sc= -2.7! (180deg=-4.36!) USER MOD Single : A 69 THR OG1 : rot -23:sc= 0.3! USER MOD Single : A 70 ASN : amide:sc= -3.95! C(o=-4!,f=-0.97!) USER MOD Single : A 72 SER OG : rot -62:sc= 1.07 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 126:sc= -1.08! USER MOD Single : A 82 TYR OH : rot -177:sc= -0.311 USER MOD Single : A 86 SER OG : rot 180:sc= -4.27! USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= 0.216 K(o=0.22,f=-2.9!) USER MOD Single : A 103 THR OG1 : rot 58:sc= -5.66! USER MOD Single : A 110 CYS SG : rot -33:sc= 0.302! USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 3 -12.342 10.043 8.708 1.00 0.00 C HETATM 2 O ACE A 3 -11.445 10.067 9.551 1.00 0.00 O HETATM 3 CH3 ACE A 3 -13.439 11.077 8.719 1.00 0.00 C HETATM 0 H1 ACE A 3 -13.430 11.627 7.778 1.00 0.00 H new HETATM 0 H2 ACE A 3 -14.403 10.583 8.842 1.00 0.00 H new HETATM 0 H3 ACE A 3 -13.278 11.770 9.545 1.00 0.00 H new ATOM 7 N ASN A 4 -12.409 9.125 7.749 1.00 0.00 N ATOM 8 CA ASN A 4 -11.409 8.070 7.629 1.00 0.00 C ATOM 9 C ASN A 4 -10.032 8.654 7.333 1.00 0.00 C ATOM 10 O ASN A 4 -9.135 8.611 8.175 1.00 0.00 O ATOM 11 CB ASN A 4 -11.806 7.085 6.527 1.00 0.00 C ATOM 12 CG ASN A 4 -12.562 7.757 5.396 1.00 0.00 C ATOM 13 OD1 ASN A 4 -13.602 8.378 5.612 1.00 0.00 O ATOM 14 ND2 ASN A 4 -12.039 7.635 4.182 1.00 0.00 N ATOM 0 H ASN A 4 -13.145 9.090 7.044 1.00 0.00 H new ATOM 0 HA ASN A 4 -11.361 7.541 8.581 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -10.910 6.609 6.129 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -12.424 6.295 6.955 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -12.502 8.066 3.382 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -11.174 7.111 4.050 1.00 0.00 H new ATOM 21 N ASN A 5 -9.873 9.200 6.133 1.00 0.00 N ATOM 22 CA ASN A 5 -8.604 9.794 5.725 1.00 0.00 C ATOM 23 C ASN A 5 -7.436 9.129 6.447 1.00 0.00 C ATOM 24 O ASN A 5 -6.937 9.645 7.447 1.00 0.00 O ATOM 25 CB ASN A 5 -8.606 11.297 6.011 1.00 0.00 C ATOM 26 CG ASN A 5 -9.095 11.619 7.409 1.00 0.00 C ATOM 27 OD1 ASN A 5 -10.243 12.020 7.599 1.00 0.00 O ATOM 28 ND2 ASN A 5 -8.224 11.446 8.396 1.00 0.00 N ATOM 0 H ASN A 5 -10.606 9.244 5.425 1.00 0.00 H new ATOM 0 HA ASN A 5 -8.484 9.635 4.653 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -7.597 11.690 5.882 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -9.240 11.802 5.282 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -8.497 11.648 9.358 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -7.282 11.111 8.192 1.00 0.00 H new ATOM 35 N LEU A 6 -7.006 7.981 5.933 1.00 0.00 N ATOM 36 CA LEU A 6 -5.896 7.246 6.529 1.00 0.00 C ATOM 37 C LEU A 6 -4.893 8.194 7.170 1.00 0.00 C ATOM 38 O LEU A 6 -4.898 8.392 8.385 1.00 0.00 O ATOM 39 CB LEU A 6 -5.193 6.389 5.475 1.00 0.00 C ATOM 40 CG LEU A 6 -6.007 6.104 4.214 1.00 0.00 C ATOM 41 CD1 LEU A 6 -5.124 5.476 3.152 1.00 0.00 C ATOM 42 CD2 LEU A 6 -7.186 5.199 4.534 1.00 0.00 C ATOM 0 H LEU A 6 -7.409 7.540 5.106 1.00 0.00 H new ATOM 0 HA LEU A 6 -6.306 6.597 7.303 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.267 6.886 5.185 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -4.915 5.438 5.930 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.396 7.047 3.829 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.715 5.277 2.258 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.311 6.158 2.905 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.711 4.540 3.529 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -7.755 5.007 3.624 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -6.821 4.256 4.940 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.829 5.685 5.268 1.00 0.00 H new ATOM 54 N GLU A 7 -4.030 8.772 6.346 1.00 0.00 N ATOM 55 CA GLU A 7 -3.014 9.693 6.830 1.00 0.00 C ATOM 56 C GLU A 7 -2.739 9.464 8.310 1.00 0.00 C ATOM 57 O GLU A 7 -3.278 10.159 9.170 1.00 0.00 O ATOM 58 CB GLU A 7 -3.444 11.141 6.592 1.00 0.00 C ATOM 59 CG GLU A 7 -4.933 11.373 6.793 1.00 0.00 C ATOM 60 CD GLU A 7 -5.379 12.743 6.321 1.00 0.00 C ATOM 61 OE1 GLU A 7 -5.687 12.885 5.119 1.00 0.00 O ATOM 62 OE2 GLU A 7 -5.420 13.673 7.154 1.00 0.00 O ATOM 0 H GLU A 7 -4.014 8.618 5.338 1.00 0.00 H new ATOM 0 HA GLU A 7 -2.095 9.505 6.274 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -2.889 11.792 7.267 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -3.173 11.430 5.576 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -5.492 10.608 6.255 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -5.175 11.260 7.850 1.00 0.00 H new ATOM 69 N THR A 8 -1.894 8.481 8.592 1.00 0.00 N ATOM 70 CA THR A 8 -1.536 8.143 9.963 1.00 0.00 C ATOM 71 C THR A 8 -0.936 6.744 10.032 1.00 0.00 C ATOM 72 O THR A 8 -0.244 6.402 10.992 1.00 0.00 O ATOM 73 CB THR A 8 -2.764 8.229 10.869 1.00 0.00 C ATOM 74 OG1 THR A 8 -2.421 7.928 12.210 1.00 0.00 O ATOM 75 CG2 THR A 8 -3.879 7.292 10.458 1.00 0.00 C ATOM 0 H THR A 8 -1.442 7.901 7.885 1.00 0.00 H new ATOM 0 HA THR A 8 -0.790 8.859 10.308 1.00 0.00 H new ATOM 0 HB THR A 8 -3.121 9.255 10.774 1.00 0.00 H new ATOM 0 HG1 THR A 8 -3.220 7.990 12.774 1.00 0.00 H new ATOM 0 HG21 THR A 8 -4.720 7.404 11.143 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.202 7.533 9.445 1.00 0.00 H new ATOM 0 HG23 THR A 8 -3.520 6.263 10.490 1.00 0.00 H new ATOM 83 N TYR A 9 -1.206 5.935 9.011 1.00 0.00 N ATOM 84 CA TYR A 9 -0.690 4.573 8.962 1.00 0.00 C ATOM 85 C TYR A 9 0.778 4.554 8.600 1.00 0.00 C ATOM 86 O TYR A 9 1.209 5.235 7.669 1.00 0.00 O ATOM 87 CB TYR A 9 -1.469 3.742 7.951 1.00 0.00 C ATOM 88 CG TYR A 9 -2.929 3.651 8.303 1.00 0.00 C ATOM 89 CD1 TYR A 9 -3.370 2.728 9.239 1.00 0.00 C ATOM 90 CD2 TYR A 9 -3.862 4.502 7.723 1.00 0.00 C ATOM 91 CE1 TYR A 9 -4.700 2.648 9.587 1.00 0.00 C ATOM 92 CE2 TYR A 9 -5.197 4.425 8.065 1.00 0.00 C ATOM 93 CZ TYR A 9 -5.611 3.498 8.997 1.00 0.00 C ATOM 94 OH TYR A 9 -6.941 3.421 9.343 1.00 0.00 O ATOM 0 H TYR A 9 -1.778 6.200 8.209 1.00 0.00 H new ATOM 0 HA TYR A 9 -0.810 4.143 9.956 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -1.362 4.183 6.960 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -1.045 2.739 7.902 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -2.659 2.061 9.703 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -3.539 5.232 6.996 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -5.027 1.924 10.318 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -5.914 5.088 7.604 1.00 0.00 H new ATOM 0 HH TYR A 9 -7.354 4.305 9.253 1.00 0.00 H new ATOM 104 N GLU A 10 1.542 3.755 9.323 1.00 0.00 N ATOM 105 CA GLU A 10 2.956 3.634 9.052 1.00 0.00 C ATOM 106 C GLU A 10 3.169 3.426 7.562 1.00 0.00 C ATOM 107 O GLU A 10 4.281 3.561 7.060 1.00 0.00 O ATOM 108 CB GLU A 10 3.547 2.459 9.830 1.00 0.00 C ATOM 109 CG GLU A 10 4.668 1.747 9.096 1.00 0.00 C ATOM 110 CD GLU A 10 5.709 1.172 10.038 1.00 0.00 C ATOM 111 OE1 GLU A 10 5.360 0.884 11.201 1.00 0.00 O ATOM 112 OE2 GLU A 10 6.871 1.012 9.612 1.00 0.00 O ATOM 0 H GLU A 10 1.205 3.184 10.098 1.00 0.00 H new ATOM 0 HA GLU A 10 3.458 4.548 9.368 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.923 2.820 10.787 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.755 1.743 10.048 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.248 0.944 8.490 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.149 2.445 8.411 1.00 0.00 H new ATOM 119 N TRP A 11 2.092 3.067 6.862 1.00 0.00 N ATOM 120 CA TRP A 11 2.165 2.808 5.436 1.00 0.00 C ATOM 121 C TRP A 11 1.676 3.976 4.579 1.00 0.00 C ATOM 122 O TRP A 11 2.171 4.181 3.470 1.00 0.00 O ATOM 123 CB TRP A 11 1.341 1.575 5.111 1.00 0.00 C ATOM 124 CG TRP A 11 0.062 1.461 5.902 1.00 0.00 C ATOM 125 CD1 TRP A 11 -0.143 0.766 7.065 1.00 0.00 C ATOM 126 CD2 TRP A 11 -1.203 2.034 5.556 1.00 0.00 C ATOM 127 NE1 TRP A 11 -1.463 0.870 7.449 1.00 0.00 N ATOM 128 CE2 TRP A 11 -2.129 1.646 6.541 1.00 0.00 C ATOM 129 CE3 TRP A 11 -1.639 2.839 4.508 1.00 0.00 C ATOM 130 CZ2 TRP A 11 -3.466 2.034 6.501 1.00 0.00 C ATOM 131 CZ3 TRP A 11 -2.963 3.226 4.470 1.00 0.00 C ATOM 132 CH2 TRP A 11 -3.864 2.822 5.460 1.00 0.00 C ATOM 0 H TRP A 11 1.162 2.951 7.265 1.00 0.00 H new ATOM 0 HA TRP A 11 3.218 2.658 5.196 1.00 0.00 H new ATOM 0 HB2 TRP A 11 1.098 1.583 4.048 1.00 0.00 H new ATOM 0 HB3 TRP A 11 1.948 0.688 5.292 1.00 0.00 H new ATOM 0 HD1 TRP A 11 0.617 0.218 7.602 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -1.876 0.438 8.276 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -0.952 3.156 3.737 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -4.162 1.723 7.266 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -3.310 3.852 3.661 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -4.895 3.140 5.400 1.00 0.00 H new ATOM 143 N TYR A 12 0.687 4.714 5.061 1.00 0.00 N ATOM 144 CA TYR A 12 0.138 5.820 4.282 1.00 0.00 C ATOM 145 C TYR A 12 1.132 6.955 4.088 1.00 0.00 C ATOM 146 O TYR A 12 1.889 7.307 4.993 1.00 0.00 O ATOM 147 CB TYR A 12 -1.136 6.368 4.915 1.00 0.00 C ATOM 148 CG TYR A 12 -1.927 7.240 3.966 1.00 0.00 C ATOM 149 CD1 TYR A 12 -2.652 6.679 2.926 1.00 0.00 C ATOM 150 CD2 TYR A 12 -1.944 8.623 4.107 1.00 0.00 C ATOM 151 CE1 TYR A 12 -3.374 7.468 2.051 1.00 0.00 C ATOM 152 CE2 TYR A 12 -2.663 9.420 3.237 1.00 0.00 C ATOM 153 CZ TYR A 12 -3.377 8.838 2.211 1.00 0.00 C ATOM 154 OH TYR A 12 -4.095 9.628 1.343 1.00 0.00 O ATOM 0 H TYR A 12 0.252 4.573 5.973 1.00 0.00 H new ATOM 0 HA TYR A 12 -0.093 5.404 3.301 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -1.760 5.537 5.245 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -0.877 6.945 5.803 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -2.653 5.607 2.797 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -1.386 9.082 4.910 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -3.933 7.014 1.246 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -2.666 10.493 3.360 1.00 0.00 H new ATOM 0 HH TYR A 12 -5.032 9.658 1.627 1.00 0.00 H new ATOM 164 N ASN A 13 1.098 7.530 2.890 1.00 0.00 N ATOM 165 CA ASN A 13 1.965 8.644 2.537 1.00 0.00 C ATOM 166 C ASN A 13 1.220 9.642 1.658 1.00 0.00 C ATOM 167 O ASN A 13 0.992 9.393 0.475 1.00 0.00 O ATOM 168 CB ASN A 13 3.211 8.143 1.813 1.00 0.00 C ATOM 169 CG ASN A 13 4.475 8.421 2.604 1.00 0.00 C ATOM 170 OD1 ASN A 13 4.488 9.273 3.493 1.00 0.00 O ATOM 171 ND2 ASN A 13 5.547 7.706 2.287 1.00 0.00 N ATOM 0 H ASN A 13 0.471 7.237 2.141 1.00 0.00 H new ATOM 0 HA ASN A 13 2.270 9.144 3.457 1.00 0.00 H new ATOM 0 HB2 ASN A 13 3.122 7.071 1.636 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.281 8.622 0.837 1.00 0.00 H new ATOM 0 HD21 ASN A 13 6.424 7.853 2.787 1.00 0.00 H new ATOM 0 HD22 ASN A 13 5.494 7.010 1.544 1.00 0.00 H new ATOM 178 N LYS A 14 0.832 10.770 2.247 1.00 0.00 N ATOM 179 CA LYS A 14 0.101 11.799 1.516 1.00 0.00 C ATOM 180 C LYS A 14 1.009 12.538 0.537 1.00 0.00 C ATOM 181 O LYS A 14 2.221 12.622 0.735 1.00 0.00 O ATOM 182 CB LYS A 14 -0.527 12.796 2.490 1.00 0.00 C ATOM 183 CG LYS A 14 0.483 13.487 3.391 1.00 0.00 C ATOM 184 CD LYS A 14 -0.013 13.570 4.825 1.00 0.00 C ATOM 185 CE LYS A 14 -1.394 14.200 4.901 1.00 0.00 C ATOM 186 NZ LYS A 14 -1.655 14.807 6.236 1.00 0.00 N ATOM 0 H LYS A 14 1.011 10.994 3.226 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.685 11.304 0.946 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.071 13.551 1.923 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.257 12.275 3.110 1.00 0.00 H new ATOM 0 HG2 LYS A 14 1.428 12.944 3.363 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.680 14.491 3.015 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.043 12.571 5.259 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.688 14.155 5.420 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.487 14.965 4.130 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.150 13.443 4.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.607 15.226 6.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.592 14.073 6.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.949 15.547 6.425 1.00 0.00 H new ATOM 200 N SER A 15 0.407 13.078 -0.519 1.00 0.00 N ATOM 201 CA SER A 15 1.146 13.821 -1.537 1.00 0.00 C ATOM 202 C SER A 15 2.233 12.961 -2.179 1.00 0.00 C ATOM 203 O SER A 15 2.982 13.432 -3.036 1.00 0.00 O ATOM 204 CB SER A 15 1.772 15.075 -0.924 1.00 0.00 C ATOM 205 OG SER A 15 1.398 16.236 -1.644 1.00 0.00 O ATOM 0 H SER A 15 -0.596 13.015 -0.693 1.00 0.00 H new ATOM 0 HA SER A 15 0.439 14.110 -2.315 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.458 15.171 0.115 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.858 14.979 -0.921 1.00 0.00 H new ATOM 0 HG SER A 15 1.810 17.024 -1.231 1.00 0.00 H new ATOM 211 N ILE A 16 2.323 11.706 -1.754 1.00 0.00 N ATOM 212 CA ILE A 16 3.322 10.790 -2.273 1.00 0.00 C ATOM 213 C ILE A 16 3.174 10.541 -3.767 1.00 0.00 C ATOM 214 O ILE A 16 2.118 10.769 -4.356 1.00 0.00 O ATOM 215 CB ILE A 16 3.236 9.436 -1.559 1.00 0.00 C ATOM 216 CG1 ILE A 16 4.523 9.174 -0.798 1.00 0.00 C ATOM 217 CG2 ILE A 16 2.963 8.320 -2.556 1.00 0.00 C ATOM 218 CD1 ILE A 16 4.908 7.712 -0.765 1.00 0.00 C ATOM 0 H ILE A 16 1.710 11.301 -1.046 1.00 0.00 H new ATOM 0 HA ILE A 16 4.286 11.266 -2.092 1.00 0.00 H new ATOM 0 HB ILE A 16 2.408 9.462 -0.851 1.00 0.00 H new ATOM 0 HG12 ILE A 16 5.331 9.746 -1.255 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.414 9.538 0.224 1.00 0.00 H new ATOM 0 HG21 ILE A 16 2.906 7.367 -2.029 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.018 8.510 -3.066 1.00 0.00 H new ATOM 0 HG23 ILE A 16 3.769 8.281 -3.289 1.00 0.00 H new ATOM 0 HD11 ILE A 16 5.836 7.593 -0.206 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.117 7.138 -0.282 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.048 7.350 -1.783 1.00 0.00 H new ATOM 230 N SER A 17 4.251 10.035 -4.356 1.00 0.00 N ATOM 231 CA SER A 17 4.285 9.700 -5.770 1.00 0.00 C ATOM 232 C SER A 17 4.712 8.246 -5.933 1.00 0.00 C ATOM 233 O SER A 17 4.796 7.507 -4.952 1.00 0.00 O ATOM 234 CB SER A 17 5.248 10.622 -6.518 1.00 0.00 C ATOM 235 OG SER A 17 4.547 11.649 -7.199 1.00 0.00 O ATOM 0 H SER A 17 5.125 9.846 -3.864 1.00 0.00 H new ATOM 0 HA SER A 17 3.289 9.835 -6.193 1.00 0.00 H new ATOM 0 HB2 SER A 17 5.953 11.064 -5.814 1.00 0.00 H new ATOM 0 HB3 SER A 17 5.832 10.041 -7.232 1.00 0.00 H new ATOM 0 HG SER A 17 5.186 12.226 -7.668 1.00 0.00 H new ATOM 241 N ARG A 18 4.988 7.836 -7.162 1.00 0.00 N ATOM 242 CA ARG A 18 5.414 6.466 -7.418 1.00 0.00 C ATOM 243 C ARG A 18 6.856 6.251 -6.965 1.00 0.00 C ATOM 244 O ARG A 18 7.177 5.246 -6.333 1.00 0.00 O ATOM 245 CB ARG A 18 5.278 6.133 -8.906 1.00 0.00 C ATOM 246 CG ARG A 18 5.861 7.194 -9.825 1.00 0.00 C ATOM 247 CD ARG A 18 5.097 7.275 -11.136 1.00 0.00 C ATOM 248 NE ARG A 18 4.775 5.952 -11.664 1.00 0.00 N ATOM 249 CZ ARG A 18 5.693 5.066 -12.040 1.00 0.00 C ATOM 250 NH1 ARG A 18 6.982 5.364 -11.946 1.00 0.00 N ATOM 251 NH2 ARG A 18 5.323 3.883 -12.510 1.00 0.00 N ATOM 0 H ARG A 18 4.926 8.426 -7.992 1.00 0.00 H new ATOM 0 HA ARG A 18 4.769 5.800 -6.846 1.00 0.00 H new ATOM 0 HB2 ARG A 18 5.773 5.182 -9.103 1.00 0.00 H new ATOM 0 HB3 ARG A 18 4.223 5.998 -9.144 1.00 0.00 H new ATOM 0 HG2 ARG A 18 5.835 8.163 -9.327 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.908 6.967 -10.026 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.177 7.839 -10.985 1.00 0.00 H new ATOM 0 HD3 ARG A 18 5.690 7.823 -11.868 1.00 0.00 H new ATOM 0 HE ARG A 18 3.792 5.693 -11.749 1.00 0.00 H new ATOM 0 HH11 ARG A 18 7.270 6.273 -11.585 1.00 0.00 H new ATOM 0 HH12 ARG A 18 7.685 4.684 -12.235 1.00 0.00 H new ATOM 0 HH21 ARG A 18 4.333 3.651 -12.584 1.00 0.00 H new ATOM 0 HH22 ARG A 18 6.029 3.205 -12.798 1.00 0.00 H new ATOM 265 N ASP A 19 7.721 7.201 -7.303 1.00 0.00 N ATOM 266 CA ASP A 19 9.134 7.124 -6.948 1.00 0.00 C ATOM 267 C ASP A 19 9.376 7.388 -5.462 1.00 0.00 C ATOM 268 O ASP A 19 10.247 6.770 -4.850 1.00 0.00 O ATOM 269 CB ASP A 19 9.934 8.127 -7.776 1.00 0.00 C ATOM 270 CG ASP A 19 10.174 7.647 -9.195 1.00 0.00 C ATOM 271 OD1 ASP A 19 10.423 6.438 -9.379 1.00 0.00 O ATOM 272 OD2 ASP A 19 10.114 8.482 -10.121 1.00 0.00 O ATOM 0 H ASP A 19 7.466 8.039 -7.826 1.00 0.00 H new ATOM 0 HA ASP A 19 9.464 6.108 -7.163 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.402 9.078 -7.802 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.893 8.311 -7.291 1.00 0.00 H new ATOM 277 N LYS A 20 8.623 8.325 -4.893 1.00 0.00 N ATOM 278 CA LYS A 20 8.787 8.679 -3.486 1.00 0.00 C ATOM 279 C LYS A 20 8.623 7.461 -2.582 1.00 0.00 C ATOM 280 O LYS A 20 9.481 7.178 -1.739 1.00 0.00 O ATOM 281 CB LYS A 20 7.778 9.759 -3.095 1.00 0.00 C ATOM 282 CG LYS A 20 8.163 10.527 -1.842 1.00 0.00 C ATOM 283 CD LYS A 20 7.578 9.884 -0.596 1.00 0.00 C ATOM 284 CE LYS A 20 6.806 10.893 0.240 1.00 0.00 C ATOM 285 NZ LYS A 20 7.447 11.125 1.563 1.00 0.00 N ATOM 0 H LYS A 20 7.897 8.850 -5.381 1.00 0.00 H new ATOM 0 HA LYS A 20 9.798 9.063 -3.353 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.671 10.461 -3.922 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.803 9.295 -2.942 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.249 10.567 -1.757 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.812 11.556 -1.922 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.917 9.066 -0.883 1.00 0.00 H new ATOM 0 HD3 LYS A 20 8.380 9.451 0.002 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.739 11.837 -0.301 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.786 10.537 0.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.890 11.819 2.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.488 10.230 2.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.411 11.489 1.423 1.00 0.00 H new ATOM 299 N ALA A 21 7.525 6.737 -2.762 1.00 0.00 N ATOM 300 CA ALA A 21 7.273 5.553 -1.957 1.00 0.00 C ATOM 301 C ALA A 21 8.431 4.569 -2.096 1.00 0.00 C ATOM 302 O ALA A 21 9.028 4.143 -1.102 1.00 0.00 O ATOM 303 CB ALA A 21 5.944 4.913 -2.327 1.00 0.00 C ATOM 0 H ALA A 21 6.803 6.947 -3.451 1.00 0.00 H new ATOM 0 HA ALA A 21 7.204 5.849 -0.910 1.00 0.00 H new ATOM 0 HB1 ALA A 21 5.781 4.030 -1.710 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.137 5.627 -2.159 1.00 0.00 H new ATOM 0 HB3 ALA A 21 5.960 4.623 -3.378 1.00 0.00 H new ATOM 309 N GLU A 22 8.785 4.237 -3.330 1.00 0.00 N ATOM 310 CA GLU A 22 9.906 3.341 -3.559 1.00 0.00 C ATOM 311 C GLU A 22 11.135 3.917 -2.872 1.00 0.00 C ATOM 312 O GLU A 22 11.873 3.209 -2.177 1.00 0.00 O ATOM 313 CB GLU A 22 10.165 3.167 -5.057 1.00 0.00 C ATOM 314 CG GLU A 22 8.925 2.794 -5.851 1.00 0.00 C ATOM 315 CD GLU A 22 9.244 1.951 -7.070 1.00 0.00 C ATOM 316 OE1 GLU A 22 10.394 1.476 -7.178 1.00 0.00 O ATOM 317 OE2 GLU A 22 8.343 1.764 -7.914 1.00 0.00 O ATOM 0 H GLU A 22 8.320 4.569 -4.175 1.00 0.00 H new ATOM 0 HA GLU A 22 9.677 2.358 -3.147 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.576 4.094 -5.456 1.00 0.00 H new ATOM 0 HB3 GLU A 22 10.922 2.396 -5.199 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.236 2.248 -5.206 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.413 3.703 -6.167 1.00 0.00 H new ATOM 324 N LYS A 23 11.326 5.224 -3.045 1.00 0.00 N ATOM 325 CA LYS A 23 12.435 5.919 -2.419 1.00 0.00 C ATOM 326 C LYS A 23 12.381 5.691 -0.919 1.00 0.00 C ATOM 327 O LYS A 23 13.359 5.253 -0.312 1.00 0.00 O ATOM 328 CB LYS A 23 12.382 7.416 -2.733 1.00 0.00 C ATOM 329 CG LYS A 23 12.051 8.280 -1.528 1.00 0.00 C ATOM 330 CD LYS A 23 12.586 9.693 -1.692 1.00 0.00 C ATOM 331 CE LYS A 23 11.713 10.708 -0.973 1.00 0.00 C ATOM 332 NZ LYS A 23 12.278 11.091 0.350 1.00 0.00 N ATOM 0 H LYS A 23 10.723 5.818 -3.615 1.00 0.00 H new ATOM 0 HA LYS A 23 13.372 5.527 -2.814 1.00 0.00 H new ATOM 0 HB2 LYS A 23 13.344 7.728 -3.139 1.00 0.00 H new ATOM 0 HB3 LYS A 23 11.637 7.590 -3.509 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.970 8.313 -1.388 1.00 0.00 H new ATOM 0 HG3 LYS A 23 12.475 7.831 -0.630 1.00 0.00 H new ATOM 0 HD2 LYS A 23 13.603 9.745 -1.302 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.638 9.942 -2.752 1.00 0.00 H new ATOM 0 HE2 LYS A 23 11.606 11.598 -1.593 1.00 0.00 H new ATOM 0 HE3 LYS A 23 10.714 10.294 -0.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 11.652 11.785 0.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 12.357 10.246 0.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.220 11.510 0.217 1.00 0.00 H new ATOM 346 N LEU A 24 11.218 5.959 -0.324 1.00 0.00 N ATOM 347 CA LEU A 24 11.050 5.742 1.106 1.00 0.00 C ATOM 348 C LEU A 24 11.313 4.278 1.429 1.00 0.00 C ATOM 349 O LEU A 24 12.046 3.961 2.366 1.00 0.00 O ATOM 350 CB LEU A 24 9.649 6.141 1.575 1.00 0.00 C ATOM 351 CG LEU A 24 8.529 5.907 0.564 1.00 0.00 C ATOM 352 CD1 LEU A 24 7.865 4.555 0.795 1.00 0.00 C ATOM 353 CD2 LEU A 24 7.504 7.029 0.648 1.00 0.00 C ATOM 0 H LEU A 24 10.394 6.320 -0.804 1.00 0.00 H new ATOM 0 HA LEU A 24 11.766 6.372 1.635 1.00 0.00 H new ATOM 0 HB2 LEU A 24 9.417 5.586 2.484 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.661 7.198 1.841 1.00 0.00 H new ATOM 0 HG LEU A 24 8.962 5.903 -0.437 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.070 4.410 0.063 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.606 3.763 0.688 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.443 4.524 1.800 1.00 0.00 H new ATOM 0 HD21 LEU A 24 6.710 6.852 -0.077 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.079 7.059 1.651 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.988 7.981 0.430 1.00 0.00 H new ATOM 365 N LEU A 25 10.731 3.383 0.628 1.00 0.00 N ATOM 366 CA LEU A 25 10.940 1.952 0.828 1.00 0.00 C ATOM 367 C LEU A 25 12.430 1.647 0.811 1.00 0.00 C ATOM 368 O LEU A 25 12.955 0.984 1.706 1.00 0.00 O ATOM 369 CB LEU A 25 10.254 1.135 -0.270 1.00 0.00 C ATOM 370 CG LEU A 25 8.764 0.857 -0.061 1.00 0.00 C ATOM 371 CD1 LEU A 25 8.279 1.439 1.252 1.00 0.00 C ATOM 372 CD2 LEU A 25 7.965 1.398 -1.231 1.00 0.00 C ATOM 0 H LEU A 25 10.120 3.621 -0.154 1.00 0.00 H new ATOM 0 HA LEU A 25 10.508 1.678 1.791 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.377 1.660 -1.217 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.773 0.181 -0.364 1.00 0.00 H new ATOM 0 HG LEU A 25 8.615 -0.222 -0.012 1.00 0.00 H new ATOM 0 HD11 LEU A 25 7.217 1.226 1.374 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.836 0.992 2.076 1.00 0.00 H new ATOM 0 HD13 LEU A 25 8.435 2.518 1.252 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.906 1.195 -1.073 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.121 2.474 -1.311 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.294 0.914 -2.151 1.00 0.00 H new ATOM 384 N LEU A 26 13.102 2.136 -0.227 1.00 0.00 N ATOM 385 CA LEU A 26 14.535 1.923 -0.386 1.00 0.00 C ATOM 386 C LEU A 26 15.310 2.387 0.846 1.00 0.00 C ATOM 387 O LEU A 26 16.279 1.748 1.254 1.00 0.00 O ATOM 388 CB LEU A 26 15.043 2.668 -1.621 1.00 0.00 C ATOM 389 CG LEU A 26 14.665 2.042 -2.965 1.00 0.00 C ATOM 390 CD1 LEU A 26 14.065 0.659 -2.764 1.00 0.00 C ATOM 391 CD2 LEU A 26 13.694 2.941 -3.715 1.00 0.00 C ATOM 0 H LEU A 26 12.674 2.685 -0.973 1.00 0.00 H new ATOM 0 HA LEU A 26 14.699 0.853 -0.509 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.659 3.688 -1.593 1.00 0.00 H new ATOM 0 HB3 LEU A 26 16.129 2.735 -1.563 1.00 0.00 H new ATOM 0 HG LEU A 26 15.571 1.937 -3.562 1.00 0.00 H new ATOM 0 HD11 LEU A 26 13.803 0.232 -3.732 1.00 0.00 H new ATOM 0 HD12 LEU A 26 14.792 0.016 -2.268 1.00 0.00 H new ATOM 0 HD13 LEU A 26 13.169 0.737 -2.148 1.00 0.00 H new ATOM 0 HD21 LEU A 26 13.435 2.481 -4.669 1.00 0.00 H new ATOM 0 HD22 LEU A 26 12.791 3.077 -3.121 1.00 0.00 H new ATOM 0 HD23 LEU A 26 14.160 3.910 -3.894 1.00 0.00 H new ATOM 403 N ASP A 27 14.893 3.511 1.423 1.00 0.00 N ATOM 404 CA ASP A 27 15.572 4.060 2.593 1.00 0.00 C ATOM 405 C ASP A 27 15.549 3.082 3.763 1.00 0.00 C ATOM 406 O ASP A 27 16.587 2.795 4.361 1.00 0.00 O ATOM 407 CB ASP A 27 14.922 5.381 3.008 1.00 0.00 C ATOM 408 CG ASP A 27 15.750 6.585 2.607 1.00 0.00 C ATOM 409 OD1 ASP A 27 16.808 6.392 1.969 1.00 0.00 O ATOM 410 OD2 ASP A 27 15.342 7.721 2.928 1.00 0.00 O ATOM 0 H ASP A 27 14.093 4.057 1.102 1.00 0.00 H new ATOM 0 HA ASP A 27 16.612 4.237 2.320 1.00 0.00 H new ATOM 0 HB2 ASP A 27 13.934 5.455 2.553 1.00 0.00 H new ATOM 0 HB3 ASP A 27 14.777 5.387 4.088 1.00 0.00 H new ATOM 415 N THR A 28 14.368 2.562 4.085 1.00 0.00 N ATOM 416 CA THR A 28 14.237 1.608 5.181 1.00 0.00 C ATOM 417 C THR A 28 14.340 0.179 4.658 1.00 0.00 C ATOM 418 O THR A 28 15.191 -0.597 5.090 1.00 0.00 O ATOM 419 CB THR A 28 12.916 1.824 5.916 1.00 0.00 C ATOM 420 OG1 THR A 28 12.680 0.785 6.842 1.00 0.00 O ATOM 421 CG2 THR A 28 11.715 1.926 5.001 1.00 0.00 C ATOM 0 H THR A 28 13.495 2.783 3.607 1.00 0.00 H new ATOM 0 HA THR A 28 15.052 1.771 5.886 1.00 0.00 H new ATOM 0 HB THR A 28 13.029 2.782 6.424 1.00 0.00 H new ATOM 0 HG1 THR A 28 12.392 1.168 7.697 1.00 0.00 H new ATOM 0 HG21 THR A 28 10.815 2.079 5.597 1.00 0.00 H new ATOM 0 HG22 THR A 28 11.847 2.767 4.320 1.00 0.00 H new ATOM 0 HG23 THR A 28 11.617 1.006 4.425 1.00 0.00 H new ATOM 429 N GLY A 29 13.488 -0.137 3.692 1.00 0.00 N ATOM 430 CA GLY A 29 13.508 -1.450 3.070 1.00 0.00 C ATOM 431 C GLY A 29 12.486 -2.445 3.610 1.00 0.00 C ATOM 432 O GLY A 29 11.584 -2.861 2.889 1.00 0.00 O ATOM 0 H GLY A 29 12.778 0.496 3.325 1.00 0.00 H new ATOM 0 HA2 GLY A 29 13.342 -1.329 2.000 1.00 0.00 H new ATOM 0 HA3 GLY A 29 14.504 -1.876 3.192 1.00 0.00 H new ATOM 436 N LYS A 30 12.661 -2.868 4.857 1.00 0.00 N ATOM 437 CA LYS A 30 11.782 -3.873 5.467 1.00 0.00 C ATOM 438 C LYS A 30 11.164 -4.755 4.391 1.00 0.00 C ATOM 439 O LYS A 30 10.286 -4.319 3.645 1.00 0.00 O ATOM 440 CB LYS A 30 10.654 -3.257 6.298 1.00 0.00 C ATOM 441 CG LYS A 30 11.059 -2.038 7.101 1.00 0.00 C ATOM 442 CD LYS A 30 11.223 -0.807 6.227 1.00 0.00 C ATOM 443 CE LYS A 30 10.256 -0.790 5.053 1.00 0.00 C ATOM 444 NZ LYS A 30 10.880 -0.212 3.848 1.00 0.00 N ATOM 0 H LYS A 30 13.404 -2.533 5.471 1.00 0.00 H new ATOM 0 HA LYS A 30 12.411 -4.460 6.137 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.837 -2.982 5.631 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.267 -4.014 6.980 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.307 -1.842 7.865 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.996 -2.241 7.620 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.070 0.087 6.832 1.00 0.00 H new ATOM 0 HD3 LYS A 30 12.245 -0.766 5.851 1.00 0.00 H new ATOM 0 HE2 LYS A 30 9.923 -1.806 4.840 1.00 0.00 H new ATOM 0 HE3 LYS A 30 9.370 -0.213 5.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 10.255 0.517 3.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 11.793 0.216 4.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.032 -0.961 3.143 1.00 0.00 H new ATOM 458 N GLU A 31 11.619 -5.996 4.315 1.00 0.00 N ATOM 459 CA GLU A 31 11.100 -6.931 3.329 1.00 0.00 C ATOM 460 C GLU A 31 9.607 -6.707 3.127 1.00 0.00 C ATOM 461 O GLU A 31 8.809 -6.941 4.034 1.00 0.00 O ATOM 462 CB GLU A 31 11.364 -8.373 3.769 1.00 0.00 C ATOM 463 CG GLU A 31 10.243 -8.972 4.599 1.00 0.00 C ATOM 464 CD GLU A 31 10.437 -10.452 4.860 1.00 0.00 C ATOM 465 OE1 GLU A 31 10.657 -11.203 3.888 1.00 0.00 O ATOM 466 OE2 GLU A 31 10.368 -10.861 6.039 1.00 0.00 O ATOM 0 H GLU A 31 12.344 -6.378 4.922 1.00 0.00 H new ATOM 0 HA GLU A 31 11.612 -6.758 2.383 1.00 0.00 H new ATOM 0 HB2 GLU A 31 11.519 -8.991 2.885 1.00 0.00 H new ATOM 0 HB3 GLU A 31 12.288 -8.404 4.346 1.00 0.00 H new ATOM 0 HG2 GLU A 31 10.179 -8.444 5.551 1.00 0.00 H new ATOM 0 HG3 GLU A 31 9.294 -8.819 4.085 1.00 0.00 H new ATOM 473 N GLY A 32 9.238 -6.231 1.941 1.00 0.00 N ATOM 474 CA GLY A 32 7.845 -5.963 1.650 1.00 0.00 C ATOM 475 C GLY A 32 7.376 -4.670 2.283 1.00 0.00 C ATOM 476 O GLY A 32 6.268 -4.597 2.813 1.00 0.00 O ATOM 0 H GLY A 32 9.882 -6.027 1.177 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.703 -5.912 0.571 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.233 -6.788 2.013 1.00 0.00 H new ATOM 480 N ALA A 33 8.222 -3.646 2.224 1.00 0.00 N ATOM 481 CA ALA A 33 7.884 -2.350 2.794 1.00 0.00 C ATOM 482 C ALA A 33 6.555 -1.871 2.246 1.00 0.00 C ATOM 483 O ALA A 33 6.416 -1.656 1.042 1.00 0.00 O ATOM 484 CB ALA A 33 8.966 -1.336 2.485 1.00 0.00 C ATOM 0 H ALA A 33 9.143 -3.690 1.788 1.00 0.00 H new ATOM 0 HA ALA A 33 7.806 -2.458 3.876 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.697 -0.373 2.919 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.912 -1.673 2.909 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.069 -1.231 1.405 1.00 0.00 H new ATOM 490 N PHE A 34 5.572 -1.721 3.121 1.00 0.00 N ATOM 491 CA PHE A 34 4.257 -1.284 2.690 1.00 0.00 C ATOM 492 C PHE A 34 4.042 0.202 2.896 1.00 0.00 C ATOM 493 O PHE A 34 4.367 0.757 3.939 1.00 0.00 O ATOM 494 CB PHE A 34 3.161 -2.042 3.425 1.00 0.00 C ATOM 495 CG PHE A 34 1.834 -1.356 3.313 1.00 0.00 C ATOM 496 CD1 PHE A 34 1.289 -1.096 2.074 1.00 0.00 C ATOM 497 CD2 PHE A 34 1.133 -0.967 4.431 1.00 0.00 C ATOM 498 CE1 PHE A 34 0.070 -0.454 1.958 1.00 0.00 C ATOM 499 CE2 PHE A 34 -0.068 -0.333 4.321 1.00 0.00 C ATOM 500 CZ PHE A 34 -0.606 -0.068 3.089 1.00 0.00 C ATOM 0 H PHE A 34 5.660 -1.894 4.122 1.00 0.00 H new ATOM 0 HA PHE A 34 4.206 -1.495 1.622 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.083 -3.051 3.020 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.431 -2.141 4.476 1.00 0.00 H new ATOM 0 HD1 PHE A 34 1.820 -1.397 1.183 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.541 -1.167 5.411 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -0.349 -0.257 0.982 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.601 -0.037 5.213 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.555 0.441 3.008 1.00 0.00 H new ATOM 510 N MET A 35 3.457 0.831 1.890 1.00 0.00 N ATOM 511 CA MET A 35 3.148 2.247 1.945 1.00 0.00 C ATOM 512 C MET A 35 1.858 2.515 1.187 1.00 0.00 C ATOM 513 O MET A 35 1.407 1.674 0.413 1.00 0.00 O ATOM 514 CB MET A 35 4.288 3.072 1.356 1.00 0.00 C ATOM 515 CG MET A 35 3.942 4.535 1.161 1.00 0.00 C ATOM 516 SD MET A 35 4.182 5.493 2.665 1.00 0.00 S ATOM 517 CE MET A 35 5.948 5.314 2.878 1.00 0.00 C ATOM 0 H MET A 35 3.185 0.376 1.018 1.00 0.00 H new ATOM 0 HA MET A 35 3.022 2.540 2.987 1.00 0.00 H new ATOM 0 HB2 MET A 35 5.156 2.997 2.011 1.00 0.00 H new ATOM 0 HB3 MET A 35 4.576 2.644 0.396 1.00 0.00 H new ATOM 0 HG2 MET A 35 4.560 4.950 0.365 1.00 0.00 H new ATOM 0 HG3 MET A 35 2.905 4.622 0.838 1.00 0.00 H new ATOM 0 HE1 MET A 35 6.282 5.951 3.697 1.00 0.00 H new ATOM 0 HE2 MET A 35 6.183 4.275 3.107 1.00 0.00 H new ATOM 0 HE3 MET A 35 6.457 5.607 1.960 1.00 0.00 H new ATOM 527 N VAL A 36 1.264 3.678 1.404 1.00 0.00 N ATOM 528 CA VAL A 36 0.025 4.019 0.714 1.00 0.00 C ATOM 529 C VAL A 36 0.003 5.476 0.288 1.00 0.00 C ATOM 530 O VAL A 36 0.602 6.337 0.934 1.00 0.00 O ATOM 531 CB VAL A 36 -1.217 3.728 1.570 1.00 0.00 C ATOM 532 CG1 VAL A 36 -2.484 4.093 0.812 1.00 0.00 C ATOM 533 CG2 VAL A 36 -1.239 2.267 1.982 1.00 0.00 C ATOM 0 H VAL A 36 1.611 4.394 2.042 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.006 3.385 -0.172 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.172 4.340 2.471 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.354 3.880 1.433 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.466 5.154 0.563 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.541 3.507 -0.105 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.124 2.073 2.588 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.264 1.638 1.092 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.345 2.039 2.562 1.00 0.00 H new ATOM 543 N ARG A 37 -0.690 5.744 -0.810 1.00 0.00 N ATOM 544 CA ARG A 37 -0.792 7.095 -1.336 1.00 0.00 C ATOM 545 C ARG A 37 -2.129 7.299 -2.050 1.00 0.00 C ATOM 546 O ARG A 37 -2.496 6.532 -2.940 1.00 0.00 O ATOM 547 CB ARG A 37 0.393 7.368 -2.269 1.00 0.00 C ATOM 548 CG ARG A 37 0.022 7.558 -3.727 1.00 0.00 C ATOM 549 CD ARG A 37 0.753 6.557 -4.604 1.00 0.00 C ATOM 550 NE ARG A 37 1.437 7.190 -5.726 1.00 0.00 N ATOM 551 CZ ARG A 37 0.909 8.156 -6.472 1.00 0.00 C ATOM 552 NH1 ARG A 37 -0.324 8.587 -6.235 1.00 0.00 N ATOM 553 NH2 ARG A 37 1.608 8.685 -7.467 1.00 0.00 N ATOM 0 H ARG A 37 -1.190 5.041 -1.354 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.756 7.808 -0.512 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.913 8.261 -1.921 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.096 6.539 -2.192 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.054 7.440 -3.851 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.269 8.572 -4.041 1.00 0.00 H new ATOM 0 HD2 ARG A 37 1.479 6.013 -4.000 1.00 0.00 H new ATOM 0 HD3 ARG A 37 0.041 5.824 -4.984 1.00 0.00 H new ATOM 0 HE ARG A 37 2.379 6.872 -5.953 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -0.871 8.177 -5.478 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -0.725 9.328 -6.810 1.00 0.00 H new ATOM 0 HH21 ARG A 37 2.552 8.351 -7.661 1.00 0.00 H new ATOM 0 HH22 ARG A 37 1.202 9.426 -8.038 1.00 0.00 H new ATOM 567 N ASP A 38 -2.860 8.329 -1.630 1.00 0.00 N ATOM 568 CA ASP A 38 -4.169 8.635 -2.202 1.00 0.00 C ATOM 569 C ASP A 38 -4.052 9.203 -3.614 1.00 0.00 C ATOM 570 O ASP A 38 -3.082 9.884 -3.944 1.00 0.00 O ATOM 571 CB ASP A 38 -4.917 9.625 -1.306 1.00 0.00 C ATOM 572 CG ASP A 38 -6.297 9.955 -1.838 1.00 0.00 C ATOM 573 OD1 ASP A 38 -6.446 10.077 -3.072 1.00 0.00 O ATOM 574 OD2 ASP A 38 -7.231 10.093 -1.019 1.00 0.00 O ATOM 0 H ASP A 38 -2.566 8.969 -0.892 1.00 0.00 H new ATOM 0 HA ASP A 38 -4.727 7.701 -2.262 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.007 9.207 -0.303 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -4.335 10.543 -1.218 1.00 0.00 H new ATOM 579 N SER A 39 -5.056 8.916 -4.439 1.00 0.00 N ATOM 580 CA SER A 39 -5.082 9.393 -5.816 1.00 0.00 C ATOM 581 C SER A 39 -6.220 10.388 -6.028 1.00 0.00 C ATOM 582 O SER A 39 -6.902 10.778 -5.079 1.00 0.00 O ATOM 583 CB SER A 39 -5.243 8.216 -6.781 1.00 0.00 C ATOM 584 OG SER A 39 -4.013 7.902 -7.410 1.00 0.00 O ATOM 0 H SER A 39 -5.865 8.353 -4.175 1.00 0.00 H new ATOM 0 HA SER A 39 -4.137 9.898 -6.015 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.611 7.345 -6.239 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.990 8.460 -7.537 1.00 0.00 H new ATOM 0 HG SER A 39 -4.186 7.531 -8.300 1.00 0.00 H new ATOM 590 N ARG A 40 -6.422 10.790 -7.279 1.00 0.00 N ATOM 591 CA ARG A 40 -7.481 11.732 -7.621 1.00 0.00 C ATOM 592 C ARG A 40 -8.623 11.018 -8.337 1.00 0.00 C ATOM 593 O ARG A 40 -9.766 11.472 -8.320 1.00 0.00 O ATOM 594 CB ARG A 40 -6.931 12.855 -8.504 1.00 0.00 C ATOM 595 CG ARG A 40 -7.910 13.999 -8.715 1.00 0.00 C ATOM 596 CD ARG A 40 -8.099 14.812 -7.444 1.00 0.00 C ATOM 597 NE ARG A 40 -6.993 14.630 -6.509 1.00 0.00 N ATOM 598 CZ ARG A 40 -6.514 15.600 -5.737 1.00 0.00 C ATOM 599 NH1 ARG A 40 -7.044 16.814 -5.791 1.00 0.00 N ATOM 600 NH2 ARG A 40 -5.506 15.357 -4.912 1.00 0.00 N ATOM 0 H ARG A 40 -5.865 10.477 -8.074 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.864 12.165 -6.697 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -6.019 13.247 -8.053 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.655 12.441 -9.474 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -7.547 14.647 -9.512 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.871 13.601 -9.040 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -8.188 15.868 -7.699 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -9.032 14.520 -6.963 1.00 0.00 H new ATOM 0 HE ARG A 40 -6.564 13.707 -6.445 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -7.820 17.004 -6.425 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -6.676 17.558 -5.198 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -5.096 14.424 -4.869 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -5.140 16.103 -4.320 1.00 0.00 H new ATOM 614 N THR A 41 -8.297 9.890 -8.962 1.00 0.00 N ATOM 615 CA THR A 41 -9.281 9.093 -9.683 1.00 0.00 C ATOM 616 C THR A 41 -10.528 8.866 -8.819 1.00 0.00 C ATOM 617 O THR A 41 -10.760 9.608 -7.865 1.00 0.00 O ATOM 618 CB THR A 41 -8.642 7.766 -10.101 1.00 0.00 C ATOM 619 OG1 THR A 41 -9.226 7.271 -11.292 1.00 0.00 O ATOM 620 CG2 THR A 41 -8.742 6.690 -9.042 1.00 0.00 C ATOM 0 H THR A 41 -7.352 9.507 -8.983 1.00 0.00 H new ATOM 0 HA THR A 41 -9.600 9.627 -10.578 1.00 0.00 H new ATOM 0 HB THR A 41 -7.588 7.994 -10.256 1.00 0.00 H new ATOM 0 HG1 THR A 41 -8.833 6.401 -11.512 1.00 0.00 H new ATOM 0 HG21 THR A 41 -8.269 5.777 -9.405 1.00 0.00 H new ATOM 0 HG22 THR A 41 -8.238 7.024 -8.135 1.00 0.00 H new ATOM 0 HG23 THR A 41 -9.791 6.492 -8.822 1.00 0.00 H new ATOM 628 N PRO A 42 -11.356 7.852 -9.137 1.00 0.00 N ATOM 629 CA PRO A 42 -12.578 7.562 -8.378 1.00 0.00 C ATOM 630 C PRO A 42 -12.418 7.741 -6.868 1.00 0.00 C ATOM 631 O PRO A 42 -13.401 7.706 -6.129 1.00 0.00 O ATOM 632 CB PRO A 42 -12.845 6.103 -8.729 1.00 0.00 C ATOM 633 CG PRO A 42 -12.374 5.983 -10.137 1.00 0.00 C ATOM 634 CD PRO A 42 -11.187 6.908 -10.262 1.00 0.00 C ATOM 0 HA PRO A 42 -13.388 8.245 -8.633 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -12.303 5.427 -8.067 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -13.903 5.857 -8.639 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -12.093 4.955 -10.368 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -13.162 6.263 -10.837 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -10.246 6.363 -10.189 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -11.182 7.426 -11.221 1.00 0.00 H new ATOM 642 N GLY A 43 -11.186 7.943 -6.412 1.00 0.00 N ATOM 643 CA GLY A 43 -10.949 8.136 -4.993 1.00 0.00 C ATOM 644 C GLY A 43 -10.177 7.004 -4.360 1.00 0.00 C ATOM 645 O GLY A 43 -10.150 6.864 -3.137 1.00 0.00 O ATOM 0 H GLY A 43 -10.351 7.976 -6.997 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.402 9.067 -4.846 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.906 8.245 -4.483 1.00 0.00 H new ATOM 649 N THR A 44 -9.546 6.198 -5.192 1.00 0.00 N ATOM 650 CA THR A 44 -8.764 5.072 -4.716 1.00 0.00 C ATOM 651 C THR A 44 -7.476 5.533 -4.049 1.00 0.00 C ATOM 652 O THR A 44 -6.970 6.620 -4.327 1.00 0.00 O ATOM 653 CB THR A 44 -8.405 4.160 -5.881 1.00 0.00 C ATOM 654 OG1 THR A 44 -7.116 3.607 -5.696 1.00 0.00 O ATOM 655 CG2 THR A 44 -8.412 4.875 -7.211 1.00 0.00 C ATOM 0 H THR A 44 -9.560 6.303 -6.207 1.00 0.00 H new ATOM 0 HA THR A 44 -9.370 4.537 -3.985 1.00 0.00 H new ATOM 0 HB THR A 44 -9.169 3.383 -5.898 1.00 0.00 H new ATOM 0 HG1 THR A 44 -7.158 2.900 -5.019 1.00 0.00 H new ATOM 0 HG21 THR A 44 -8.149 4.174 -8.003 1.00 0.00 H new ATOM 0 HG22 THR A 44 -9.406 5.280 -7.401 1.00 0.00 H new ATOM 0 HG23 THR A 44 -7.686 5.688 -7.191 1.00 0.00 H new ATOM 663 N TYR A 45 -6.936 4.674 -3.199 1.00 0.00 N ATOM 664 CA TYR A 45 -5.684 4.950 -2.519 1.00 0.00 C ATOM 665 C TYR A 45 -4.599 4.063 -3.107 1.00 0.00 C ATOM 666 O TYR A 45 -4.896 3.045 -3.730 1.00 0.00 O ATOM 667 CB TYR A 45 -5.803 4.696 -1.017 1.00 0.00 C ATOM 668 CG TYR A 45 -6.865 5.524 -0.337 1.00 0.00 C ATOM 669 CD1 TYR A 45 -8.210 5.244 -0.526 1.00 0.00 C ATOM 670 CD2 TYR A 45 -6.522 6.580 0.497 1.00 0.00 C ATOM 671 CE1 TYR A 45 -9.189 5.995 0.096 1.00 0.00 C ATOM 672 CE2 TYR A 45 -7.494 7.336 1.124 1.00 0.00 C ATOM 673 CZ TYR A 45 -8.826 7.040 0.920 1.00 0.00 C ATOM 674 OH TYR A 45 -9.798 7.791 1.542 1.00 0.00 O ATOM 0 H TYR A 45 -7.351 3.773 -2.963 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.431 6.001 -2.662 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.020 3.640 -0.853 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.841 4.900 -0.547 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -8.497 4.426 -1.170 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.480 6.814 0.658 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -10.232 5.765 -0.062 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -7.212 8.154 1.770 1.00 0.00 H new ATOM 0 HH TYR A 45 -9.375 8.487 2.088 1.00 0.00 H new ATOM 684 N THR A 46 -3.349 4.445 -2.922 1.00 0.00 N ATOM 685 CA THR A 46 -2.245 3.659 -3.453 1.00 0.00 C ATOM 686 C THR A 46 -1.469 2.986 -2.326 1.00 0.00 C ATOM 687 O THR A 46 -1.392 3.517 -1.220 1.00 0.00 O ATOM 688 CB THR A 46 -1.309 4.547 -4.272 1.00 0.00 C ATOM 689 OG1 THR A 46 -2.050 5.412 -5.115 1.00 0.00 O ATOM 690 CG2 THR A 46 -0.347 3.769 -5.146 1.00 0.00 C ATOM 0 H THR A 46 -3.072 5.285 -2.414 1.00 0.00 H new ATOM 0 HA THR A 46 -2.658 2.885 -4.100 1.00 0.00 H new ATOM 0 HB THR A 46 -0.731 5.107 -3.537 1.00 0.00 H new ATOM 0 HG1 THR A 46 -2.528 6.071 -4.569 1.00 0.00 H new ATOM 0 HG21 THR A 46 0.286 4.464 -5.698 1.00 0.00 H new ATOM 0 HG22 THR A 46 0.276 3.129 -4.521 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.910 3.154 -5.848 1.00 0.00 H new ATOM 698 N VAL A 47 -0.882 1.827 -2.615 1.00 0.00 N ATOM 699 CA VAL A 47 -0.093 1.102 -1.621 1.00 0.00 C ATOM 700 C VAL A 47 1.280 0.758 -2.167 1.00 0.00 C ATOM 701 O VAL A 47 1.414 -0.037 -3.102 1.00 0.00 O ATOM 702 CB VAL A 47 -0.758 -0.206 -1.146 1.00 0.00 C ATOM 703 CG1 VAL A 47 -1.406 -0.928 -2.307 1.00 0.00 C ATOM 704 CG2 VAL A 47 0.274 -1.098 -0.456 1.00 0.00 C ATOM 0 H VAL A 47 -0.937 1.371 -3.526 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.016 1.776 -0.768 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.539 0.039 -0.427 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.869 -1.848 -1.950 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.167 -0.288 -2.754 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.649 -1.169 -3.054 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -0.205 -2.019 -0.124 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.074 -1.337 -1.156 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.690 -0.575 0.405 1.00 0.00 H new ATOM 714 N SER A 48 2.297 1.351 -1.567 1.00 0.00 N ATOM 715 CA SER A 48 3.668 1.108 -1.968 1.00 0.00 C ATOM 716 C SER A 48 4.236 -0.075 -1.194 1.00 0.00 C ATOM 717 O SER A 48 4.359 -0.022 0.033 1.00 0.00 O ATOM 718 CB SER A 48 4.521 2.354 -1.721 1.00 0.00 C ATOM 719 OG SER A 48 5.718 2.026 -1.041 1.00 0.00 O ATOM 0 H SER A 48 2.196 2.009 -0.794 1.00 0.00 H new ATOM 0 HA SER A 48 3.686 0.877 -3.033 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.758 2.830 -2.672 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.953 3.077 -1.136 1.00 0.00 H new ATOM 0 HG SER A 48 5.531 1.348 -0.359 1.00 0.00 H new ATOM 725 N VAL A 49 4.577 -1.143 -1.910 1.00 0.00 N ATOM 726 CA VAL A 49 5.133 -2.332 -1.280 1.00 0.00 C ATOM 727 C VAL A 49 6.555 -2.574 -1.778 1.00 0.00 C ATOM 728 O VAL A 49 6.793 -2.689 -2.980 1.00 0.00 O ATOM 729 CB VAL A 49 4.259 -3.571 -1.547 1.00 0.00 C ATOM 730 CG1 VAL A 49 2.807 -3.294 -1.169 1.00 0.00 C ATOM 731 CG2 VAL A 49 4.365 -4.000 -3.001 1.00 0.00 C ATOM 0 H VAL A 49 4.478 -1.208 -2.923 1.00 0.00 H new ATOM 0 HA VAL A 49 5.153 -2.163 -0.203 1.00 0.00 H new ATOM 0 HB VAL A 49 4.624 -4.388 -0.925 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.205 -4.181 -1.365 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.748 -3.042 -0.110 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.429 -2.461 -1.762 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.740 -4.877 -3.168 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.030 -3.187 -3.645 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.402 -4.244 -3.234 1.00 0.00 H new ATOM 741 N PHE A 50 7.504 -2.611 -0.848 1.00 0.00 N ATOM 742 CA PHE A 50 8.912 -2.796 -1.195 1.00 0.00 C ATOM 743 C PHE A 50 9.452 -4.137 -0.714 1.00 0.00 C ATOM 744 O PHE A 50 9.226 -4.535 0.430 1.00 0.00 O ATOM 745 CB PHE A 50 9.729 -1.660 -0.591 1.00 0.00 C ATOM 746 CG PHE A 50 11.177 -1.978 -0.391 1.00 0.00 C ATOM 747 CD1 PHE A 50 11.575 -2.897 0.568 1.00 0.00 C ATOM 748 CD2 PHE A 50 12.141 -1.349 -1.155 1.00 0.00 C ATOM 749 CE1 PHE A 50 12.910 -3.182 0.756 1.00 0.00 C ATOM 750 CE2 PHE A 50 13.480 -1.629 -0.972 1.00 0.00 C ATOM 751 CZ PHE A 50 13.865 -2.548 -0.015 1.00 0.00 C ATOM 0 H PHE A 50 7.326 -2.516 0.152 1.00 0.00 H new ATOM 0 HA PHE A 50 8.995 -2.787 -2.282 1.00 0.00 H new ATOM 0 HB2 PHE A 50 9.647 -0.786 -1.238 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.294 -1.387 0.370 1.00 0.00 H new ATOM 0 HD1 PHE A 50 10.832 -3.394 1.173 1.00 0.00 H new ATOM 0 HD2 PHE A 50 11.843 -0.630 -1.904 1.00 0.00 H new ATOM 0 HE1 PHE A 50 13.209 -3.900 1.505 1.00 0.00 H new ATOM 0 HE2 PHE A 50 14.225 -1.131 -1.575 1.00 0.00 H new ATOM 0 HZ PHE A 50 14.912 -2.771 0.130 1.00 0.00 H new ATOM 761 N THR A 51 10.175 -4.824 -1.598 1.00 0.00 N ATOM 762 CA THR A 51 10.757 -6.121 -1.274 1.00 0.00 C ATOM 763 C THR A 51 12.213 -5.994 -0.856 1.00 0.00 C ATOM 764 O THR A 51 13.081 -5.730 -1.689 1.00 0.00 O ATOM 765 CB THR A 51 10.696 -7.053 -2.479 1.00 0.00 C ATOM 766 OG1 THR A 51 9.412 -7.636 -2.609 1.00 0.00 O ATOM 767 CG2 THR A 51 11.714 -8.172 -2.400 1.00 0.00 C ATOM 0 H THR A 51 10.371 -4.501 -2.546 1.00 0.00 H new ATOM 0 HA THR A 51 10.175 -6.527 -0.446 1.00 0.00 H new ATOM 0 HB THR A 51 10.921 -6.431 -3.345 1.00 0.00 H new ATOM 0 HG1 THR A 51 9.399 -8.228 -3.390 1.00 0.00 H new ATOM 0 HG21 THR A 51 11.627 -8.806 -3.283 1.00 0.00 H new ATOM 0 HG22 THR A 51 12.717 -7.749 -2.354 1.00 0.00 H new ATOM 0 HG23 THR A 51 11.531 -8.768 -1.506 1.00 0.00 H new ATOM 775 N LYS A 52 12.489 -6.214 0.419 1.00 0.00 N ATOM 776 CA LYS A 52 13.855 -6.155 0.898 1.00 0.00 C ATOM 777 C LYS A 52 14.802 -6.715 -0.161 1.00 0.00 C ATOM 778 O LYS A 52 14.465 -7.644 -0.895 1.00 0.00 O ATOM 779 CB LYS A 52 14.001 -6.945 2.199 1.00 0.00 C ATOM 780 CG LYS A 52 13.663 -8.418 2.050 1.00 0.00 C ATOM 781 CD LYS A 52 12.559 -8.629 1.028 1.00 0.00 C ATOM 782 CE LYS A 52 12.266 -10.105 0.817 1.00 0.00 C ATOM 783 NZ LYS A 52 10.971 -10.508 1.431 1.00 0.00 N ATOM 0 H LYS A 52 11.793 -6.432 1.132 1.00 0.00 H new ATOM 0 HA LYS A 52 14.111 -5.114 1.093 1.00 0.00 H new ATOM 0 HB2 LYS A 52 15.025 -6.849 2.561 1.00 0.00 H new ATOM 0 HB3 LYS A 52 13.353 -6.506 2.957 1.00 0.00 H new ATOM 0 HG2 LYS A 52 14.553 -8.969 1.746 1.00 0.00 H new ATOM 0 HG3 LYS A 52 13.352 -8.821 3.014 1.00 0.00 H new ATOM 0 HD2 LYS A 52 11.653 -8.122 1.360 1.00 0.00 H new ATOM 0 HD3 LYS A 52 12.849 -8.176 0.080 1.00 0.00 H new ATOM 0 HE2 LYS A 52 12.244 -10.322 -0.251 1.00 0.00 H new ATOM 0 HE3 LYS A 52 13.072 -10.700 1.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 10.534 -11.258 0.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 11.139 -10.861 2.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 10.335 -9.686 1.470 1.00 0.00 H new ATOM 797 N ALA A 53 15.990 -6.130 -0.222 1.00 0.00 N ATOM 798 CA ALA A 53 17.000 -6.547 -1.177 1.00 0.00 C ATOM 799 C ALA A 53 18.197 -5.603 -1.164 1.00 0.00 C ATOM 800 O ALA A 53 18.054 -4.405 -0.920 1.00 0.00 O ATOM 801 CB ALA A 53 16.393 -6.626 -2.570 1.00 0.00 C ATOM 0 H ALA A 53 16.276 -5.361 0.384 1.00 0.00 H new ATOM 0 HA ALA A 53 17.358 -7.535 -0.889 1.00 0.00 H new ATOM 0 HB1 ALA A 53 17.156 -6.940 -3.282 1.00 0.00 H new ATOM 0 HB2 ALA A 53 15.577 -7.349 -2.571 1.00 0.00 H new ATOM 0 HB3 ALA A 53 16.010 -5.646 -2.856 1.00 0.00 H new ATOM 807 N ILE A 54 19.379 -6.153 -1.424 1.00 0.00 N ATOM 808 CA ILE A 54 20.604 -5.363 -1.441 1.00 0.00 C ATOM 809 C ILE A 54 21.667 -6.017 -2.316 1.00 0.00 C ATOM 810 O ILE A 54 21.548 -6.039 -3.541 1.00 0.00 O ATOM 811 CB ILE A 54 21.169 -5.171 -0.021 1.00 0.00 C ATOM 812 CG1 ILE A 54 21.066 -6.474 0.773 1.00 0.00 C ATOM 813 CG2 ILE A 54 20.434 -4.048 0.695 1.00 0.00 C ATOM 814 CD1 ILE A 54 19.991 -6.451 1.838 1.00 0.00 C ATOM 0 H ILE A 54 19.514 -7.144 -1.626 1.00 0.00 H new ATOM 0 HA ILE A 54 20.346 -4.388 -1.855 1.00 0.00 H new ATOM 0 HB ILE A 54 22.221 -4.898 -0.099 1.00 0.00 H new ATOM 0 HG12 ILE A 54 20.866 -7.295 0.084 1.00 0.00 H new ATOM 0 HG13 ILE A 54 22.027 -6.680 1.243 1.00 0.00 H new ATOM 0 HG21 ILE A 54 20.845 -3.925 1.697 1.00 0.00 H new ATOM 0 HG22 ILE A 54 20.555 -3.120 0.137 1.00 0.00 H new ATOM 0 HG23 ILE A 54 19.374 -4.293 0.765 1.00 0.00 H new ATOM 0 HD11 ILE A 54 19.976 -7.408 2.360 1.00 0.00 H new ATOM 0 HD12 ILE A 54 20.201 -5.652 2.549 1.00 0.00 H new ATOM 0 HD13 ILE A 54 19.021 -6.276 1.372 1.00 0.00 H new ATOM 826 N ILE A 55 22.706 -6.549 -1.681 1.00 0.00 N ATOM 827 CA ILE A 55 23.790 -7.204 -2.404 1.00 0.00 C ATOM 828 C ILE A 55 24.128 -6.448 -3.685 1.00 0.00 C ATOM 829 O ILE A 55 25.064 -5.649 -3.718 1.00 0.00 O ATOM 830 CB ILE A 55 23.431 -8.659 -2.760 1.00 0.00 C ATOM 831 CG1 ILE A 55 24.114 -9.072 -4.065 1.00 0.00 C ATOM 832 CG2 ILE A 55 21.922 -8.820 -2.871 1.00 0.00 C ATOM 833 CD1 ILE A 55 24.476 -10.540 -4.120 1.00 0.00 C ATOM 0 H ILE A 55 22.820 -6.539 -0.667 1.00 0.00 H new ATOM 0 HA ILE A 55 24.657 -7.204 -1.743 1.00 0.00 H new ATOM 0 HB ILE A 55 23.789 -9.311 -1.963 1.00 0.00 H new ATOM 0 HG12 ILE A 55 23.455 -8.837 -4.901 1.00 0.00 H new ATOM 0 HG13 ILE A 55 25.018 -8.478 -4.196 1.00 0.00 H new ATOM 0 HG21 ILE A 55 21.684 -9.853 -3.123 1.00 0.00 H new ATOM 0 HG22 ILE A 55 21.458 -8.562 -1.919 1.00 0.00 H new ATOM 0 HG23 ILE A 55 21.542 -8.160 -3.651 1.00 0.00 H new ATOM 0 HD11 ILE A 55 24.956 -10.761 -5.073 1.00 0.00 H new ATOM 0 HD12 ILE A 55 25.160 -10.777 -3.305 1.00 0.00 H new ATOM 0 HD13 ILE A 55 23.572 -11.142 -4.021 1.00 0.00 H new ATOM 845 N SER A 56 23.357 -6.702 -4.736 1.00 0.00 N ATOM 846 CA SER A 56 23.571 -6.044 -6.019 1.00 0.00 C ATOM 847 C SER A 56 22.626 -4.859 -6.183 1.00 0.00 C ATOM 848 O SER A 56 22.460 -4.331 -7.283 1.00 0.00 O ATOM 849 CB SER A 56 23.370 -7.036 -7.166 1.00 0.00 C ATOM 850 OG SER A 56 22.065 -6.931 -7.709 1.00 0.00 O ATOM 0 H SER A 56 22.577 -7.360 -4.725 1.00 0.00 H new ATOM 0 HA SER A 56 24.597 -5.676 -6.045 1.00 0.00 H new ATOM 0 HB2 SER A 56 24.108 -6.849 -7.946 1.00 0.00 H new ATOM 0 HB3 SER A 56 23.537 -8.051 -6.806 1.00 0.00 H new ATOM 0 HG SER A 56 21.426 -7.377 -7.114 1.00 0.00 H new ATOM 856 N GLU A 57 22.007 -4.446 -5.082 1.00 0.00 N ATOM 857 CA GLU A 57 21.078 -3.324 -5.101 1.00 0.00 C ATOM 858 C GLU A 57 20.065 -3.475 -6.231 1.00 0.00 C ATOM 859 O GLU A 57 20.035 -2.671 -7.162 1.00 0.00 O ATOM 860 CB GLU A 57 21.839 -2.006 -5.255 1.00 0.00 C ATOM 861 CG GLU A 57 21.008 -0.892 -5.872 1.00 0.00 C ATOM 862 CD GLU A 57 21.512 0.487 -5.497 1.00 0.00 C ATOM 863 OE1 GLU A 57 21.982 0.656 -4.353 1.00 0.00 O ATOM 864 OE2 GLU A 57 21.436 1.399 -6.348 1.00 0.00 O ATOM 0 H GLU A 57 22.133 -4.873 -4.164 1.00 0.00 H new ATOM 0 HA GLU A 57 20.539 -3.315 -4.153 1.00 0.00 H new ATOM 0 HB2 GLU A 57 22.193 -1.684 -4.276 1.00 0.00 H new ATOM 0 HB3 GLU A 57 22.721 -2.175 -5.873 1.00 0.00 H new ATOM 0 HG2 GLU A 57 21.017 -0.995 -6.957 1.00 0.00 H new ATOM 0 HG3 GLU A 57 19.972 -0.996 -5.550 1.00 0.00 H new ATOM 871 N ASN A 58 19.237 -4.510 -6.143 1.00 0.00 N ATOM 872 CA ASN A 58 18.224 -4.763 -7.162 1.00 0.00 C ATOM 873 C ASN A 58 16.904 -5.199 -6.532 1.00 0.00 C ATOM 874 O ASN A 58 16.193 -6.040 -7.083 1.00 0.00 O ATOM 875 CB ASN A 58 18.712 -5.835 -8.138 1.00 0.00 C ATOM 876 CG ASN A 58 18.529 -7.239 -7.595 1.00 0.00 C ATOM 877 OD1 ASN A 58 19.422 -7.789 -6.951 1.00 0.00 O ATOM 878 ND2 ASN A 58 17.366 -7.826 -7.853 1.00 0.00 N ATOM 0 H ASN A 58 19.247 -5.186 -5.379 1.00 0.00 H new ATOM 0 HA ASN A 58 18.054 -3.832 -7.704 1.00 0.00 H new ATOM 0 HB2 ASN A 58 18.170 -5.739 -9.079 1.00 0.00 H new ATOM 0 HB3 ASN A 58 19.766 -5.668 -8.359 1.00 0.00 H new ATOM 0 HD21 ASN A 58 17.185 -8.770 -7.513 1.00 0.00 H new ATOM 0 HD22 ASN A 58 16.654 -7.332 -8.391 1.00 0.00 H new ATOM 885 N PRO A 59 16.550 -4.627 -5.369 1.00 0.00 N ATOM 886 CA PRO A 59 15.303 -4.960 -4.675 1.00 0.00 C ATOM 887 C PRO A 59 14.089 -4.808 -5.579 1.00 0.00 C ATOM 888 O PRO A 59 14.189 -4.284 -6.689 1.00 0.00 O ATOM 889 CB PRO A 59 15.243 -3.949 -3.529 1.00 0.00 C ATOM 890 CG PRO A 59 16.658 -3.539 -3.304 1.00 0.00 C ATOM 891 CD PRO A 59 17.334 -3.610 -4.646 1.00 0.00 C ATOM 0 HA PRO A 59 15.289 -5.997 -4.341 1.00 0.00 H new ATOM 0 HB2 PRO A 59 14.620 -3.093 -3.790 1.00 0.00 H new ATOM 0 HB3 PRO A 59 14.813 -4.394 -2.632 1.00 0.00 H new ATOM 0 HG2 PRO A 59 16.711 -2.530 -2.895 1.00 0.00 H new ATOM 0 HG3 PRO A 59 17.145 -4.200 -2.587 1.00 0.00 H new ATOM 0 HD2 PRO A 59 17.313 -2.648 -5.158 1.00 0.00 H new ATOM 0 HD3 PRO A 59 18.381 -3.900 -4.554 1.00 0.00 H new ATOM 899 N CYS A 60 12.939 -5.270 -5.101 1.00 0.00 N ATOM 900 CA CYS A 60 11.708 -5.181 -5.872 1.00 0.00 C ATOM 901 C CYS A 60 10.650 -4.380 -5.128 1.00 0.00 C ATOM 902 O CYS A 60 10.274 -4.716 -4.005 1.00 0.00 O ATOM 903 CB CYS A 60 11.171 -6.577 -6.186 1.00 0.00 C ATOM 904 SG CYS A 60 12.452 -7.839 -6.373 1.00 0.00 S ATOM 0 H CYS A 60 12.835 -5.708 -4.186 1.00 0.00 H new ATOM 0 HA CYS A 60 11.938 -4.667 -6.805 1.00 0.00 H new ATOM 0 HB2 CYS A 60 10.491 -6.880 -5.390 1.00 0.00 H new ATOM 0 HB3 CYS A 60 10.585 -6.531 -7.104 1.00 0.00 H new ATOM 0 HG CYS A 60 11.897 -8.985 -6.635 1.00 0.00 H new ATOM 910 N ILE A 61 10.163 -3.329 -5.771 1.00 0.00 N ATOM 911 CA ILE A 61 9.134 -2.483 -5.185 1.00 0.00 C ATOM 912 C ILE A 61 7.877 -2.514 -6.039 1.00 0.00 C ATOM 913 O ILE A 61 7.950 -2.467 -7.267 1.00 0.00 O ATOM 914 CB ILE A 61 9.597 -1.022 -5.040 1.00 0.00 C ATOM 915 CG1 ILE A 61 10.582 -0.887 -3.877 1.00 0.00 C ATOM 916 CG2 ILE A 61 8.397 -0.109 -4.834 1.00 0.00 C ATOM 917 CD1 ILE A 61 11.903 -1.584 -4.119 1.00 0.00 C ATOM 0 H ILE A 61 10.465 -3.041 -6.702 1.00 0.00 H new ATOM 0 HA ILE A 61 8.927 -2.880 -4.191 1.00 0.00 H new ATOM 0 HB ILE A 61 10.106 -0.724 -5.956 1.00 0.00 H new ATOM 0 HG12 ILE A 61 10.768 0.171 -3.690 1.00 0.00 H new ATOM 0 HG13 ILE A 61 10.125 -1.295 -2.975 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.737 0.922 -4.733 1.00 0.00 H new ATOM 0 HG22 ILE A 61 7.728 -0.188 -5.691 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.865 -0.406 -3.930 1.00 0.00 H new ATOM 0 HD11 ILE A 61 12.551 -1.446 -3.253 1.00 0.00 H new ATOM 0 HD12 ILE A 61 11.729 -2.648 -4.276 1.00 0.00 H new ATOM 0 HD13 ILE A 61 12.382 -1.160 -5.002 1.00 0.00 H new ATOM 929 N LYS A 62 6.727 -2.595 -5.390 1.00 0.00 N ATOM 930 CA LYS A 62 5.463 -2.634 -6.106 1.00 0.00 C ATOM 931 C LYS A 62 4.474 -1.637 -5.530 1.00 0.00 C ATOM 932 O LYS A 62 4.212 -1.625 -4.325 1.00 0.00 O ATOM 933 CB LYS A 62 4.863 -4.038 -6.057 1.00 0.00 C ATOM 934 CG LYS A 62 5.871 -5.140 -6.313 1.00 0.00 C ATOM 935 CD LYS A 62 5.460 -6.003 -7.495 1.00 0.00 C ATOM 936 CE LYS A 62 3.949 -6.170 -7.565 1.00 0.00 C ATOM 937 NZ LYS A 62 3.304 -5.097 -8.374 1.00 0.00 N ATOM 0 H LYS A 62 6.643 -2.635 -4.374 1.00 0.00 H new ATOM 0 HA LYS A 62 5.663 -2.364 -7.143 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.407 -4.195 -5.080 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.065 -4.109 -6.796 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.851 -4.702 -6.503 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.967 -5.761 -5.423 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.820 -5.551 -8.419 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.932 -6.982 -7.413 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.712 -7.142 -7.997 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.536 -6.161 -6.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.630 -4.573 -7.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.032 -4.445 -8.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.799 -5.524 -9.177 1.00 0.00 H new ATOM 951 N HIS A 63 3.914 -0.813 -6.402 1.00 0.00 N ATOM 952 CA HIS A 63 2.937 0.172 -5.989 1.00 0.00 C ATOM 953 C HIS A 63 1.541 -0.313 -6.354 1.00 0.00 C ATOM 954 O HIS A 63 1.148 -0.273 -7.521 1.00 0.00 O ATOM 955 CB HIS A 63 3.224 1.513 -6.662 1.00 0.00 C ATOM 956 CG HIS A 63 4.472 2.170 -6.166 1.00 0.00 C ATOM 957 ND1 HIS A 63 4.724 2.432 -4.840 1.00 0.00 N ATOM 958 CD2 HIS A 63 5.557 2.616 -6.849 1.00 0.00 C ATOM 959 CE1 HIS A 63 5.927 3.018 -4.757 1.00 0.00 C ATOM 960 NE2 HIS A 63 6.475 3.151 -5.949 1.00 0.00 N ATOM 0 H HIS A 63 4.122 -0.810 -7.401 1.00 0.00 H new ATOM 0 HA HIS A 63 2.998 0.308 -4.909 1.00 0.00 H new ATOM 0 HB2 HIS A 63 3.305 1.361 -7.738 1.00 0.00 H new ATOM 0 HB3 HIS A 63 2.380 2.182 -6.497 1.00 0.00 H new ATOM 0 HD1 HIS A 63 4.105 2.218 -4.058 1.00 0.00 H new ATOM 0 HD2 HIS A 63 5.687 2.564 -7.920 1.00 0.00 H new ATOM 0 HE1 HIS A 63 6.387 3.339 -3.834 1.00 0.00 H new ATOM 968 N TYR A 64 0.795 -0.777 -5.359 1.00 0.00 N ATOM 969 CA TYR A 64 -0.552 -1.271 -5.597 1.00 0.00 C ATOM 970 C TYR A 64 -1.575 -0.179 -5.339 1.00 0.00 C ATOM 971 O TYR A 64 -1.684 0.329 -4.224 1.00 0.00 O ATOM 972 CB TYR A 64 -0.852 -2.478 -4.710 1.00 0.00 C ATOM 973 CG TYR A 64 0.253 -3.495 -4.693 1.00 0.00 C ATOM 974 CD1 TYR A 64 0.649 -4.129 -5.857 1.00 0.00 C ATOM 975 CD2 TYR A 64 0.897 -3.817 -3.509 1.00 0.00 C ATOM 976 CE1 TYR A 64 1.660 -5.062 -5.846 1.00 0.00 C ATOM 977 CE2 TYR A 64 1.913 -4.751 -3.487 1.00 0.00 C ATOM 978 CZ TYR A 64 2.292 -5.372 -4.659 1.00 0.00 C ATOM 979 OH TYR A 64 3.303 -6.304 -4.645 1.00 0.00 O ATOM 0 H TYR A 64 1.099 -0.821 -4.386 1.00 0.00 H new ATOM 0 HA TYR A 64 -0.616 -1.578 -6.641 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -1.035 -2.135 -3.692 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -1.769 -2.955 -5.056 1.00 0.00 H new ATOM 0 HD1 TYR A 64 0.157 -3.888 -6.788 1.00 0.00 H new ATOM 0 HD2 TYR A 64 0.600 -3.331 -2.591 1.00 0.00 H new ATOM 0 HE1 TYR A 64 1.958 -5.550 -6.762 1.00 0.00 H new ATOM 0 HE2 TYR A 64 2.408 -4.994 -2.558 1.00 0.00 H new ATOM 0 HH TYR A 64 2.917 -7.205 -4.646 1.00 0.00 H new ATOM 989 N HIS A 65 -2.330 0.186 -6.363 1.00 0.00 N ATOM 990 CA HIS A 65 -3.336 1.215 -6.194 1.00 0.00 C ATOM 991 C HIS A 65 -4.608 0.621 -5.624 1.00 0.00 C ATOM 992 O HIS A 65 -5.301 -0.144 -6.295 1.00 0.00 O ATOM 993 CB HIS A 65 -3.647 1.929 -7.503 1.00 0.00 C ATOM 994 CG HIS A 65 -4.310 3.242 -7.275 1.00 0.00 C ATOM 995 ND1 HIS A 65 -3.651 4.378 -6.870 1.00 0.00 N ATOM 996 CD2 HIS A 65 -5.616 3.576 -7.356 1.00 0.00 C ATOM 997 CE1 HIS A 65 -4.563 5.343 -6.714 1.00 0.00 C ATOM 998 NE2 HIS A 65 -5.772 4.909 -7.001 1.00 0.00 N ATOM 0 H HIS A 65 -2.266 -0.208 -7.302 1.00 0.00 H new ATOM 0 HA HIS A 65 -2.931 1.950 -5.498 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -2.724 2.081 -8.062 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -4.291 1.299 -8.116 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -2.647 4.469 -6.716 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -6.414 2.910 -7.651 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -4.337 6.349 -6.394 1.00 0.00 H new ATOM 1006 N ILE A 66 -4.924 0.979 -4.386 1.00 0.00 N ATOM 1007 CA ILE A 66 -6.129 0.470 -3.762 1.00 0.00 C ATOM 1008 C ILE A 66 -7.316 0.789 -4.658 1.00 0.00 C ATOM 1009 O ILE A 66 -7.761 1.932 -4.733 1.00 0.00 O ATOM 1010 CB ILE A 66 -6.365 1.076 -2.354 1.00 0.00 C ATOM 1011 CG1 ILE A 66 -5.043 1.491 -1.697 1.00 0.00 C ATOM 1012 CG2 ILE A 66 -7.092 0.081 -1.465 1.00 0.00 C ATOM 1013 CD1 ILE A 66 -4.274 0.334 -1.099 1.00 0.00 C ATOM 0 H ILE A 66 -4.371 1.609 -3.806 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.015 -0.607 -3.636 1.00 0.00 H new ATOM 0 HB ILE A 66 -6.981 1.967 -2.475 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.418 1.987 -2.440 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.249 2.222 -0.915 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.250 0.521 -0.480 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.055 -0.169 -1.910 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.493 -0.824 -1.366 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.351 0.703 -0.652 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.880 -0.148 -0.332 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.036 -0.387 -1.881 1.00 0.00 H new ATOM 1025 N LYS A 67 -7.816 -0.229 -5.344 1.00 0.00 N ATOM 1026 CA LYS A 67 -8.940 -0.053 -6.250 1.00 0.00 C ATOM 1027 C LYS A 67 -10.221 0.187 -5.469 1.00 0.00 C ATOM 1028 O LYS A 67 -10.398 -0.364 -4.386 1.00 0.00 O ATOM 1029 CB LYS A 67 -9.095 -1.279 -7.151 1.00 0.00 C ATOM 1030 CG LYS A 67 -10.107 -1.089 -8.269 1.00 0.00 C ATOM 1031 CD LYS A 67 -9.692 0.029 -9.211 1.00 0.00 C ATOM 1032 CE LYS A 67 -8.180 0.167 -9.280 1.00 0.00 C ATOM 1033 NZ LYS A 67 -7.516 -1.132 -9.580 1.00 0.00 N ATOM 0 H LYS A 67 -7.461 -1.184 -5.290 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.744 0.819 -6.874 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.126 -1.524 -7.587 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -9.395 -2.132 -6.542 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.211 -2.018 -8.829 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -11.084 -0.863 -7.842 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -10.086 -0.169 -10.208 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -10.129 0.970 -8.876 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.917 0.895 -10.047 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.807 0.555 -8.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.883 -1.388 -8.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.238 -1.872 -9.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.963 -1.045 -10.456 1.00 0.00 H new ATOM 1047 N GLU A 68 -11.109 1.006 -6.032 1.00 0.00 N ATOM 1048 CA GLU A 68 -12.382 1.325 -5.391 1.00 0.00 C ATOM 1049 C GLU A 68 -13.542 0.783 -6.222 1.00 0.00 C ATOM 1050 O GLU A 68 -13.544 0.909 -7.446 1.00 0.00 O ATOM 1051 CB GLU A 68 -12.538 2.844 -5.242 1.00 0.00 C ATOM 1052 CG GLU A 68 -11.504 3.495 -4.336 1.00 0.00 C ATOM 1053 CD GLU A 68 -12.108 4.555 -3.437 1.00 0.00 C ATOM 1054 OE1 GLU A 68 -13.289 4.906 -3.642 1.00 0.00 O ATOM 1055 OE2 GLU A 68 -11.400 5.036 -2.527 1.00 0.00 O ATOM 0 H GLU A 68 -10.968 1.461 -6.934 1.00 0.00 H new ATOM 0 HA GLU A 68 -12.393 0.861 -4.405 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -12.478 3.302 -6.229 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -13.533 3.058 -4.851 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -11.030 2.729 -3.722 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.721 3.944 -4.947 1.00 0.00 H new ATOM 1062 N THR A 69 -14.531 0.182 -5.561 1.00 0.00 N ATOM 1063 CA THR A 69 -15.681 -0.365 -6.273 1.00 0.00 C ATOM 1064 C THR A 69 -16.973 -0.130 -5.497 1.00 0.00 C ATOM 1065 O THR A 69 -17.371 -0.961 -4.684 1.00 0.00 O ATOM 1066 CB THR A 69 -15.488 -1.863 -6.517 1.00 0.00 C ATOM 1067 OG1 THR A 69 -16.208 -2.623 -5.564 1.00 0.00 O ATOM 1068 CG2 THR A 69 -14.040 -2.297 -6.454 1.00 0.00 C ATOM 0 H THR A 69 -14.558 0.063 -4.548 1.00 0.00 H new ATOM 0 HA THR A 69 -15.758 0.150 -7.231 1.00 0.00 H new ATOM 0 HB THR A 69 -15.860 -2.042 -7.526 1.00 0.00 H new ATOM 0 HG1 THR A 69 -16.367 -2.079 -4.764 1.00 0.00 H new ATOM 0 HG21 THR A 69 -13.973 -3.370 -6.636 1.00 0.00 H new ATOM 0 HG22 THR A 69 -13.467 -1.764 -7.213 1.00 0.00 H new ATOM 0 HG23 THR A 69 -13.635 -2.070 -5.468 1.00 0.00 H new ATOM 1076 N ASN A 70 -17.625 1.002 -5.766 1.00 0.00 N ATOM 1077 CA ASN A 70 -18.878 1.353 -5.099 1.00 0.00 C ATOM 1078 C ASN A 70 -19.209 0.353 -3.998 1.00 0.00 C ATOM 1079 O ASN A 70 -20.342 -0.116 -3.889 1.00 0.00 O ATOM 1080 CB ASN A 70 -20.022 1.406 -6.114 1.00 0.00 C ATOM 1081 CG ASN A 70 -20.582 0.033 -6.427 1.00 0.00 C ATOM 1082 OD1 ASN A 70 -21.796 -0.172 -6.418 1.00 0.00 O ATOM 1083 ND2 ASN A 70 -19.698 -0.918 -6.705 1.00 0.00 N ATOM 0 H ASN A 70 -17.304 1.693 -6.444 1.00 0.00 H new ATOM 0 HA ASN A 70 -18.755 2.337 -4.646 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -20.819 2.040 -5.726 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -19.666 1.868 -7.035 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -20.016 -1.862 -6.922 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -18.701 -0.704 -6.701 1.00 0.00 H new ATOM 1090 N ASP A 71 -18.207 0.025 -3.193 1.00 0.00 N ATOM 1091 CA ASP A 71 -18.369 -0.931 -2.105 1.00 0.00 C ATOM 1092 C ASP A 71 -19.402 -1.993 -2.457 1.00 0.00 C ATOM 1093 O ASP A 71 -19.821 -2.111 -3.608 1.00 0.00 O ATOM 1094 CB ASP A 71 -18.759 -0.226 -0.807 1.00 0.00 C ATOM 1095 CG ASP A 71 -20.176 -0.552 -0.375 1.00 0.00 C ATOM 1096 OD1 ASP A 71 -21.109 -0.313 -1.170 1.00 0.00 O ATOM 1097 OD2 ASP A 71 -20.351 -1.047 0.758 1.00 0.00 O ATOM 0 H ASP A 71 -17.266 0.410 -3.274 1.00 0.00 H new ATOM 0 HA ASP A 71 -17.407 -1.422 -1.955 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -18.066 -0.515 -0.017 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -18.661 0.852 -0.938 1.00 0.00 H new ATOM 1102 N SER A 72 -19.803 -2.766 -1.456 1.00 0.00 N ATOM 1103 CA SER A 72 -20.788 -3.824 -1.651 1.00 0.00 C ATOM 1104 C SER A 72 -20.278 -5.162 -1.123 1.00 0.00 C ATOM 1105 O SER A 72 -20.315 -6.171 -1.828 1.00 0.00 O ATOM 1106 CB SER A 72 -21.144 -3.955 -3.132 1.00 0.00 C ATOM 1107 OG SER A 72 -21.932 -5.110 -3.368 1.00 0.00 O ATOM 0 H SER A 72 -19.461 -2.681 -0.499 1.00 0.00 H new ATOM 0 HA SER A 72 -21.681 -3.551 -1.089 1.00 0.00 H new ATOM 0 HB2 SER A 72 -21.687 -3.068 -3.458 1.00 0.00 H new ATOM 0 HB3 SER A 72 -20.231 -4.006 -3.725 1.00 0.00 H new ATOM 0 HG SER A 72 -21.420 -5.910 -3.126 1.00 0.00 H new ATOM 1113 N PRO A 73 -19.786 -5.189 0.126 1.00 0.00 N ATOM 1114 CA PRO A 73 -19.718 -4.032 0.999 1.00 0.00 C ATOM 1115 C PRO A 73 -18.313 -3.431 1.076 1.00 0.00 C ATOM 1116 O PRO A 73 -17.931 -2.866 2.101 1.00 0.00 O ATOM 1117 CB PRO A 73 -20.089 -4.660 2.339 1.00 0.00 C ATOM 1118 CG PRO A 73 -19.524 -6.054 2.276 1.00 0.00 C ATOM 1119 CD PRO A 73 -19.259 -6.369 0.815 1.00 0.00 C ATOM 0 HA PRO A 73 -20.352 -3.209 0.669 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -19.665 -4.098 3.171 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -21.169 -4.676 2.483 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -18.604 -6.122 2.857 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -20.224 -6.772 2.703 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -18.196 -6.511 0.618 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -19.766 -7.281 0.500 1.00 0.00 H new ATOM 1127 N LYS A 74 -17.540 -3.568 0.000 1.00 0.00 N ATOM 1128 CA LYS A 74 -16.174 -3.047 -0.020 1.00 0.00 C ATOM 1129 C LYS A 74 -15.882 -2.255 -1.286 1.00 0.00 C ATOM 1130 O LYS A 74 -16.249 -2.657 -2.391 1.00 0.00 O ATOM 1131 CB LYS A 74 -15.178 -4.188 0.123 1.00 0.00 C ATOM 1132 CG LYS A 74 -15.823 -5.522 0.463 1.00 0.00 C ATOM 1133 CD LYS A 74 -16.269 -6.260 -0.788 1.00 0.00 C ATOM 1134 CE LYS A 74 -15.107 -6.981 -1.449 1.00 0.00 C ATOM 1135 NZ LYS A 74 -15.152 -8.449 -1.206 1.00 0.00 N ATOM 0 H LYS A 74 -17.832 -4.030 -0.861 1.00 0.00 H new ATOM 0 HA LYS A 74 -16.072 -2.365 0.824 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -14.620 -4.291 -0.808 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -14.457 -3.934 0.900 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -15.116 -6.138 1.018 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -16.681 -5.357 1.115 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -17.046 -6.979 -0.530 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -16.709 -5.554 -1.492 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -15.125 -6.790 -2.522 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -14.168 -6.579 -1.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -14.342 -8.903 -1.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -15.109 -8.633 -0.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -16.037 -8.838 -1.591 1.00 0.00 H new ATOM 1149 N ARG A 75 -15.229 -1.111 -1.101 1.00 0.00 N ATOM 1150 CA ARG A 75 -14.892 -0.220 -2.203 1.00 0.00 C ATOM 1151 C ARG A 75 -13.466 -0.420 -2.708 1.00 0.00 C ATOM 1152 O ARG A 75 -13.244 -0.564 -3.909 1.00 0.00 O ATOM 1153 CB ARG A 75 -15.063 1.235 -1.760 1.00 0.00 C ATOM 1154 CG ARG A 75 -16.478 1.762 -1.919 1.00 0.00 C ATOM 1155 CD ARG A 75 -16.743 2.936 -0.991 1.00 0.00 C ATOM 1156 NE ARG A 75 -16.279 4.198 -1.560 1.00 0.00 N ATOM 1157 CZ ARG A 75 -17.037 4.988 -2.315 1.00 0.00 C ATOM 1158 NH1 ARG A 75 -18.288 4.646 -2.587 1.00 0.00 N ATOM 1159 NH2 ARG A 75 -16.543 6.121 -2.796 1.00 0.00 N ATOM 0 H ARG A 75 -14.921 -0.778 -0.187 1.00 0.00 H new ATOM 0 HA ARG A 75 -15.570 -0.458 -3.023 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -14.768 1.324 -0.715 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -14.384 1.863 -2.337 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -16.639 2.070 -2.952 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -17.190 0.964 -1.710 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -17.811 3.002 -0.786 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -16.245 2.764 -0.037 1.00 0.00 H new ATOM 0 HE ARG A 75 -15.321 4.490 -1.368 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -18.671 3.776 -2.217 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -18.868 5.253 -3.166 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -15.581 6.387 -2.587 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -17.125 6.726 -3.375 1.00 0.00 H new ATOM 1173 N TYR A 76 -12.499 -0.366 -1.799 1.00 0.00 N ATOM 1174 CA TYR A 76 -11.094 -0.468 -2.184 1.00 0.00 C ATOM 1175 C TYR A 76 -10.563 -1.898 -2.226 1.00 0.00 C ATOM 1176 O TYR A 76 -10.978 -2.763 -1.458 1.00 0.00 O ATOM 1177 CB TYR A 76 -10.257 0.379 -1.236 1.00 0.00 C ATOM 1178 CG TYR A 76 -10.940 1.674 -0.893 1.00 0.00 C ATOM 1179 CD1 TYR A 76 -12.049 2.085 -1.615 1.00 0.00 C ATOM 1180 CD2 TYR A 76 -10.494 2.476 0.145 1.00 0.00 C ATOM 1181 CE1 TYR A 76 -12.698 3.259 -1.317 1.00 0.00 C ATOM 1182 CE2 TYR A 76 -11.138 3.658 0.455 1.00 0.00 C ATOM 1183 CZ TYR A 76 -12.242 4.046 -0.280 1.00 0.00 C ATOM 1184 OH TYR A 76 -12.888 5.222 0.024 1.00 0.00 O ATOM 0 H TYR A 76 -12.659 -0.253 -0.798 1.00 0.00 H new ATOM 0 HA TYR A 76 -11.018 -0.098 -3.206 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -10.063 -0.183 -0.322 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -9.290 0.588 -1.693 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -12.410 1.471 -2.427 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -9.631 2.173 0.720 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -13.560 3.564 -1.891 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -10.781 4.275 1.266 1.00 0.00 H new ATOM 0 HH TYR A 76 -12.440 5.655 0.781 1.00 0.00 H new ATOM 1194 N TYR A 77 -9.615 -2.113 -3.139 1.00 0.00 N ATOM 1195 CA TYR A 77 -8.967 -3.415 -3.323 1.00 0.00 C ATOM 1196 C TYR A 77 -7.775 -3.289 -4.271 1.00 0.00 C ATOM 1197 O TYR A 77 -7.754 -2.416 -5.136 1.00 0.00 O ATOM 1198 CB TYR A 77 -9.957 -4.446 -3.876 1.00 0.00 C ATOM 1199 CG TYR A 77 -10.239 -4.286 -5.350 1.00 0.00 C ATOM 1200 CD1 TYR A 77 -11.063 -3.264 -5.800 1.00 0.00 C ATOM 1201 CD2 TYR A 77 -9.685 -5.151 -6.289 1.00 0.00 C ATOM 1202 CE1 TYR A 77 -11.332 -3.102 -7.144 1.00 0.00 C ATOM 1203 CE2 TYR A 77 -9.951 -4.993 -7.639 1.00 0.00 C ATOM 1204 CZ TYR A 77 -10.774 -3.969 -8.059 1.00 0.00 C ATOM 1205 OH TYR A 77 -11.039 -3.811 -9.400 1.00 0.00 O ATOM 0 H TYR A 77 -9.274 -1.390 -3.773 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.616 -3.754 -2.348 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.564 -5.447 -3.697 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -10.894 -4.368 -3.325 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -11.502 -2.583 -5.086 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -9.041 -5.954 -5.962 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -11.976 -2.301 -7.477 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -9.516 -5.669 -8.360 1.00 0.00 H new ATOM 0 HH TYR A 77 -10.196 -3.752 -9.895 1.00 0.00 H new ATOM 1215 N VAL A 78 -6.789 -4.171 -4.119 1.00 0.00 N ATOM 1216 CA VAL A 78 -5.607 -4.148 -4.980 1.00 0.00 C ATOM 1217 C VAL A 78 -5.298 -5.538 -5.502 1.00 0.00 C ATOM 1218 O VAL A 78 -4.299 -6.147 -5.118 1.00 0.00 O ATOM 1219 CB VAL A 78 -4.357 -3.623 -4.249 1.00 0.00 C ATOM 1220 CG1 VAL A 78 -4.537 -2.174 -3.828 1.00 0.00 C ATOM 1221 CG2 VAL A 78 -4.029 -4.503 -3.054 1.00 0.00 C ATOM 0 H VAL A 78 -6.784 -4.907 -3.412 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.844 -3.472 -5.802 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.516 -3.663 -4.942 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.639 -1.830 -3.314 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.709 -1.557 -4.710 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.392 -2.094 -3.157 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.143 -4.117 -2.550 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.870 -4.503 -2.361 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.838 -5.521 -3.393 1.00 0.00 H new ATOM 1231 N ALA A 79 -6.157 -6.042 -6.372 1.00 0.00 N ATOM 1232 CA ALA A 79 -5.962 -7.366 -6.929 1.00 0.00 C ATOM 1233 C ALA A 79 -7.292 -8.019 -7.277 1.00 0.00 C ATOM 1234 O ALA A 79 -7.425 -9.239 -7.179 1.00 0.00 O ATOM 1235 CB ALA A 79 -5.195 -8.235 -5.935 1.00 0.00 C ATOM 0 H ALA A 79 -6.990 -5.557 -6.705 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.385 -7.269 -7.849 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -5.050 -9.229 -6.357 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.225 -7.783 -5.730 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.762 -8.314 -5.007 1.00 0.00 H new ATOM 1241 N GLU A 80 -8.287 -7.216 -7.665 1.00 0.00 N ATOM 1242 CA GLU A 80 -9.596 -7.775 -7.986 1.00 0.00 C ATOM 1243 C GLU A 80 -9.755 -9.037 -7.166 1.00 0.00 C ATOM 1244 O GLU A 80 -10.283 -10.051 -7.623 1.00 0.00 O ATOM 1245 CB GLU A 80 -9.704 -8.087 -9.480 1.00 0.00 C ATOM 1246 CG GLU A 80 -9.663 -6.851 -10.364 1.00 0.00 C ATOM 1247 CD GLU A 80 -8.254 -6.337 -10.583 1.00 0.00 C ATOM 1248 OE1 GLU A 80 -7.332 -6.820 -9.891 1.00 0.00 O ATOM 1249 OE2 GLU A 80 -8.071 -5.453 -11.445 1.00 0.00 O ATOM 0 H GLU A 80 -8.213 -6.203 -7.762 1.00 0.00 H new ATOM 0 HA GLU A 80 -10.384 -7.060 -7.752 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -8.889 -8.753 -9.763 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -10.634 -8.625 -9.664 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -10.115 -7.083 -11.328 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -10.266 -6.064 -9.911 1.00 0.00 H new ATOM 1256 N LYS A 81 -9.218 -8.957 -5.958 1.00 0.00 N ATOM 1257 CA LYS A 81 -9.195 -10.066 -5.031 1.00 0.00 C ATOM 1258 C LYS A 81 -10.042 -9.783 -3.788 1.00 0.00 C ATOM 1259 O LYS A 81 -11.023 -10.480 -3.529 1.00 0.00 O ATOM 1260 CB LYS A 81 -7.728 -10.319 -4.683 1.00 0.00 C ATOM 1261 CG LYS A 81 -7.360 -10.084 -3.235 1.00 0.00 C ATOM 1262 CD LYS A 81 -6.284 -9.011 -3.117 1.00 0.00 C ATOM 1263 CE LYS A 81 -6.854 -7.623 -3.359 1.00 0.00 C ATOM 1264 NZ LYS A 81 -7.602 -7.119 -2.176 1.00 0.00 N ATOM 0 H LYS A 81 -8.783 -8.109 -5.595 1.00 0.00 H new ATOM 0 HA LYS A 81 -9.636 -10.955 -5.481 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -7.482 -11.349 -4.941 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -7.107 -9.677 -5.308 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -8.245 -9.781 -2.675 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -7.004 -11.013 -2.790 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -5.834 -9.053 -2.125 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -5.490 -9.210 -3.836 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -6.044 -6.934 -3.597 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -7.516 -7.648 -4.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -8.371 -6.495 -2.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -8.002 -7.922 -1.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -6.956 -6.587 -1.558 1.00 0.00 H new ATOM 1278 N TYR A 82 -9.674 -8.752 -3.035 1.00 0.00 N ATOM 1279 CA TYR A 82 -10.424 -8.377 -1.837 1.00 0.00 C ATOM 1280 C TYR A 82 -10.684 -6.880 -1.815 1.00 0.00 C ATOM 1281 O TYR A 82 -9.755 -6.080 -1.919 1.00 0.00 O ATOM 1282 CB TYR A 82 -9.686 -8.755 -0.548 1.00 0.00 C ATOM 1283 CG TYR A 82 -8.682 -9.869 -0.676 1.00 0.00 C ATOM 1284 CD1 TYR A 82 -9.073 -11.201 -0.658 1.00 0.00 C ATOM 1285 CD2 TYR A 82 -7.331 -9.584 -0.784 1.00 0.00 C ATOM 1286 CE1 TYR A 82 -8.142 -12.217 -0.751 1.00 0.00 C ATOM 1287 CE2 TYR A 82 -6.394 -10.589 -0.872 1.00 0.00 C ATOM 1288 CZ TYR A 82 -6.802 -11.905 -0.858 1.00 0.00 C ATOM 1289 OH TYR A 82 -5.870 -12.913 -0.945 1.00 0.00 O ATOM 0 H TYR A 82 -8.865 -8.162 -3.230 1.00 0.00 H new ATOM 0 HA TYR A 82 -11.364 -8.927 -1.878 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -9.174 -7.870 -0.171 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -10.424 -9.040 0.202 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -10.121 -11.446 -0.570 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -7.006 -8.554 -0.799 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -8.461 -13.249 -0.740 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -5.344 -10.347 -0.952 1.00 0.00 H new ATOM 0 HH TYR A 82 -4.970 -12.525 -0.967 1.00 0.00 H new ATOM 1299 N VAL A 83 -11.943 -6.504 -1.655 1.00 0.00 N ATOM 1300 CA VAL A 83 -12.300 -5.098 -1.593 1.00 0.00 C ATOM 1301 C VAL A 83 -12.651 -4.704 -0.167 1.00 0.00 C ATOM 1302 O VAL A 83 -13.166 -5.513 0.605 1.00 0.00 O ATOM 1303 CB VAL A 83 -13.469 -4.756 -2.536 1.00 0.00 C ATOM 1304 CG1 VAL A 83 -13.528 -3.259 -2.790 1.00 0.00 C ATOM 1305 CG2 VAL A 83 -13.337 -5.519 -3.846 1.00 0.00 C ATOM 0 H VAL A 83 -12.729 -7.148 -1.566 1.00 0.00 H new ATOM 0 HA VAL A 83 -11.431 -4.529 -1.924 1.00 0.00 H new ATOM 0 HB VAL A 83 -14.400 -5.058 -2.056 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -14.360 -3.036 -3.458 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -13.671 -2.735 -1.845 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -12.596 -2.931 -3.249 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -14.171 -5.266 -4.500 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -12.399 -5.248 -4.332 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -13.346 -6.590 -3.646 1.00 0.00 H new ATOM 1315 N PHE A 84 -12.345 -3.464 0.184 1.00 0.00 N ATOM 1316 CA PHE A 84 -12.601 -2.964 1.526 1.00 0.00 C ATOM 1317 C PHE A 84 -13.133 -1.537 1.488 1.00 0.00 C ATOM 1318 O PHE A 84 -13.144 -0.893 0.438 1.00 0.00 O ATOM 1319 CB PHE A 84 -11.318 -3.043 2.351 1.00 0.00 C ATOM 1320 CG PHE A 84 -10.615 -4.361 2.201 1.00 0.00 C ATOM 1321 CD1 PHE A 84 -10.058 -4.728 0.984 1.00 0.00 C ATOM 1322 CD2 PHE A 84 -10.519 -5.239 3.269 1.00 0.00 C ATOM 1323 CE1 PHE A 84 -9.420 -5.946 0.836 1.00 0.00 C ATOM 1324 CE2 PHE A 84 -9.885 -6.459 3.126 1.00 0.00 C ATOM 1325 CZ PHE A 84 -9.335 -6.812 1.909 1.00 0.00 C ATOM 0 H PHE A 84 -11.918 -2.784 -0.444 1.00 0.00 H new ATOM 0 HA PHE A 84 -13.366 -3.585 1.993 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -10.646 -2.240 2.048 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -11.556 -2.880 3.402 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -10.124 -4.054 0.142 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -10.944 -4.967 4.224 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -8.989 -6.219 -0.116 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -9.820 -7.136 3.965 1.00 0.00 H new ATOM 0 HZ PHE A 84 -8.839 -7.765 1.796 1.00 0.00 H new ATOM 1335 N ASP A 85 -13.578 -1.053 2.640 1.00 0.00 N ATOM 1336 CA ASP A 85 -14.120 0.294 2.745 1.00 0.00 C ATOM 1337 C ASP A 85 -13.034 1.292 3.119 1.00 0.00 C ATOM 1338 O ASP A 85 -13.286 2.494 3.210 1.00 0.00 O ATOM 1339 CB ASP A 85 -15.245 0.336 3.781 1.00 0.00 C ATOM 1340 CG ASP A 85 -16.486 1.035 3.262 1.00 0.00 C ATOM 1341 OD1 ASP A 85 -16.529 1.346 2.052 1.00 0.00 O ATOM 1342 OD2 ASP A 85 -17.415 1.271 4.063 1.00 0.00 O ATOM 0 H ASP A 85 -13.574 -1.575 3.516 1.00 0.00 H new ATOM 0 HA ASP A 85 -14.522 0.571 1.770 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -15.501 -0.682 4.076 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -14.891 0.847 4.676 1.00 0.00 H new ATOM 1347 N SER A 86 -11.823 0.790 3.335 1.00 0.00 N ATOM 1348 CA SER A 86 -10.705 1.648 3.699 1.00 0.00 C ATOM 1349 C SER A 86 -9.372 0.914 3.571 1.00 0.00 C ATOM 1350 O SER A 86 -9.250 -0.277 3.905 1.00 0.00 O ATOM 1351 CB SER A 86 -10.882 2.172 5.126 1.00 0.00 C ATOM 1352 OG SER A 86 -12.242 2.131 5.520 1.00 0.00 O ATOM 0 H SER A 86 -11.593 -0.201 3.265 1.00 0.00 H new ATOM 0 HA SER A 86 -10.692 2.490 3.007 1.00 0.00 H new ATOM 0 HB2 SER A 86 -10.283 1.574 5.813 1.00 0.00 H new ATOM 0 HB3 SER A 86 -10.513 3.196 5.189 1.00 0.00 H new ATOM 0 HG SER A 86 -12.328 2.470 6.436 1.00 0.00 H new ATOM 1358 N ILE A 87 -8.370 1.634 3.086 1.00 0.00 N ATOM 1359 CA ILE A 87 -7.051 1.064 2.916 1.00 0.00 C ATOM 1360 C ILE A 87 -6.560 0.444 4.215 1.00 0.00 C ATOM 1361 O ILE A 87 -5.898 -0.581 4.199 1.00 0.00 O ATOM 1362 CB ILE A 87 -6.028 2.114 2.450 1.00 0.00 C ATOM 1363 CG1 ILE A 87 -6.072 2.269 0.933 1.00 0.00 C ATOM 1364 CG2 ILE A 87 -4.631 1.712 2.891 1.00 0.00 C ATOM 1365 CD1 ILE A 87 -7.471 2.355 0.365 1.00 0.00 C ATOM 0 H ILE A 87 -8.450 2.611 2.805 1.00 0.00 H new ATOM 0 HA ILE A 87 -7.139 0.296 2.148 1.00 0.00 H new ATOM 0 HB ILE A 87 -6.284 3.071 2.904 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -5.521 3.167 0.653 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -5.557 1.424 0.476 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -3.914 2.462 2.556 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -4.599 1.639 3.978 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -4.376 0.746 2.455 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.418 2.464 -0.718 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -8.020 1.446 0.612 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -7.985 3.217 0.792 1.00 0.00 H new ATOM 1377 N PRO A 88 -6.884 1.050 5.367 1.00 0.00 N ATOM 1378 CA PRO A 88 -6.456 0.514 6.657 1.00 0.00 C ATOM 1379 C PRO A 88 -6.933 -0.917 6.838 1.00 0.00 C ATOM 1380 O PRO A 88 -6.142 -1.803 7.153 1.00 0.00 O ATOM 1381 CB PRO A 88 -7.097 1.445 7.684 1.00 0.00 C ATOM 1382 CG PRO A 88 -7.431 2.692 6.930 1.00 0.00 C ATOM 1383 CD PRO A 88 -7.682 2.275 5.505 1.00 0.00 C ATOM 0 HA PRO A 88 -5.371 0.477 6.754 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -7.991 0.996 8.118 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -6.413 1.654 8.507 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -8.311 3.177 7.353 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -6.613 3.410 6.986 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -8.740 2.089 5.321 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -7.366 3.043 4.799 1.00 0.00 H new ATOM 1391 N LEU A 89 -8.216 -1.158 6.575 1.00 0.00 N ATOM 1392 CA LEU A 89 -8.740 -2.510 6.653 1.00 0.00 C ATOM 1393 C LEU A 89 -8.134 -3.270 5.491 1.00 0.00 C ATOM 1394 O LEU A 89 -7.602 -4.379 5.643 1.00 0.00 O ATOM 1395 CB LEU A 89 -10.269 -2.539 6.566 1.00 0.00 C ATOM 1396 CG LEU A 89 -10.968 -1.199 6.784 1.00 0.00 C ATOM 1397 CD1 LEU A 89 -11.395 -0.608 5.451 1.00 0.00 C ATOM 1398 CD2 LEU A 89 -12.168 -1.367 7.704 1.00 0.00 C ATOM 0 H LEU A 89 -8.897 -0.446 6.311 1.00 0.00 H new ATOM 0 HA LEU A 89 -8.481 -2.959 7.612 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.552 -2.921 5.585 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.644 -3.248 7.304 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.267 -0.513 7.260 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -11.892 0.347 5.619 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.517 -0.455 4.823 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -12.082 -1.292 4.953 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -12.654 -0.402 7.848 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -12.875 -2.066 7.256 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -11.836 -1.754 8.668 1.00 0.00 H new ATOM 1410 N LEU A 90 -8.175 -2.613 4.331 1.00 0.00 N ATOM 1411 CA LEU A 90 -7.593 -3.160 3.122 1.00 0.00 C ATOM 1412 C LEU A 90 -6.133 -3.518 3.401 1.00 0.00 C ATOM 1413 O LEU A 90 -5.630 -4.557 2.978 1.00 0.00 O ATOM 1414 CB LEU A 90 -7.703 -2.125 2.000 1.00 0.00 C ATOM 1415 CG LEU A 90 -7.654 -2.679 0.577 1.00 0.00 C ATOM 1416 CD1 LEU A 90 -8.571 -1.882 -0.336 1.00 0.00 C ATOM 1417 CD2 LEU A 90 -6.226 -2.657 0.054 1.00 0.00 C ATOM 0 H LEU A 90 -8.609 -1.698 4.211 1.00 0.00 H new ATOM 0 HA LEU A 90 -8.122 -4.061 2.810 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -8.638 -1.579 2.125 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.895 -1.403 2.117 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.002 -3.712 0.592 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -8.524 -2.290 -1.346 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -9.595 -1.944 0.033 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.253 -0.840 -0.351 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -6.204 -3.054 -0.961 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -5.856 -1.632 0.051 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.594 -3.269 0.697 1.00 0.00 H new ATOM 1429 N ILE A 91 -5.468 -2.651 4.157 1.00 0.00 N ATOM 1430 CA ILE A 91 -4.085 -2.872 4.548 1.00 0.00 C ATOM 1431 C ILE A 91 -4.038 -3.836 5.721 1.00 0.00 C ATOM 1432 O ILE A 91 -3.201 -4.737 5.774 1.00 0.00 O ATOM 1433 CB ILE A 91 -3.379 -1.555 4.936 1.00 0.00 C ATOM 1434 CG1 ILE A 91 -3.528 -0.535 3.815 1.00 0.00 C ATOM 1435 CG2 ILE A 91 -1.906 -1.807 5.212 1.00 0.00 C ATOM 1436 CD1 ILE A 91 -2.940 -1.013 2.513 1.00 0.00 C ATOM 0 H ILE A 91 -5.870 -1.783 4.512 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.559 -3.293 3.691 1.00 0.00 H new ATOM 0 HB ILE A 91 -3.844 -1.163 5.841 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -4.585 -0.311 3.671 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -3.042 0.395 4.109 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.421 -0.869 5.484 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -1.806 -2.519 6.032 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.433 -2.214 4.318 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -3.075 -0.246 1.750 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.876 -1.211 2.645 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -3.443 -1.928 2.201 1.00 0.00 H new ATOM 1448 N GLN A 92 -4.963 -3.641 6.660 1.00 0.00 N ATOM 1449 CA GLN A 92 -5.053 -4.494 7.834 1.00 0.00 C ATOM 1450 C GLN A 92 -5.134 -5.948 7.408 1.00 0.00 C ATOM 1451 O GLN A 92 -4.421 -6.800 7.938 1.00 0.00 O ATOM 1452 CB GLN A 92 -6.274 -4.121 8.677 1.00 0.00 C ATOM 1453 CG GLN A 92 -6.036 -2.941 9.606 1.00 0.00 C ATOM 1454 CD GLN A 92 -4.606 -2.875 10.107 1.00 0.00 C ATOM 1455 OE1 GLN A 92 -4.346 -3.051 11.297 1.00 0.00 O ATOM 1456 NE2 GLN A 92 -3.671 -2.617 9.199 1.00 0.00 N ATOM 0 H GLN A 92 -5.660 -2.897 6.626 1.00 0.00 H new ATOM 0 HA GLN A 92 -4.160 -4.349 8.442 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -7.106 -3.887 8.013 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -6.573 -4.985 9.270 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -6.277 -2.016 9.082 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -6.713 -3.011 10.457 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -3.933 -2.478 8.223 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -2.692 -2.558 9.478 1.00 0.00 H new ATOM 1465 N TYR A 93 -5.988 -6.227 6.427 1.00 0.00 N ATOM 1466 CA TYR A 93 -6.119 -7.588 5.924 1.00 0.00 C ATOM 1467 C TYR A 93 -4.881 -7.942 5.123 1.00 0.00 C ATOM 1468 O TYR A 93 -4.408 -9.078 5.155 1.00 0.00 O ATOM 1469 CB TYR A 93 -7.361 -7.745 5.052 1.00 0.00 C ATOM 1470 CG TYR A 93 -7.131 -7.370 3.606 1.00 0.00 C ATOM 1471 CD1 TYR A 93 -7.306 -6.063 3.185 1.00 0.00 C ATOM 1472 CD2 TYR A 93 -6.742 -8.319 2.661 1.00 0.00 C ATOM 1473 CE1 TYR A 93 -7.105 -5.705 1.867 1.00 0.00 C ATOM 1474 CE2 TYR A 93 -6.543 -7.967 1.344 1.00 0.00 C ATOM 1475 CZ TYR A 93 -6.726 -6.658 0.952 1.00 0.00 C ATOM 1476 OH TYR A 93 -6.543 -6.304 -0.362 1.00 0.00 O ATOM 0 H TYR A 93 -6.590 -5.541 5.972 1.00 0.00 H new ATOM 0 HA TYR A 93 -6.223 -8.262 6.774 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -7.702 -8.779 5.102 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -8.161 -7.126 5.457 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -7.605 -5.311 3.900 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -6.595 -9.345 2.966 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -7.245 -4.680 1.556 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -6.245 -8.713 0.622 1.00 0.00 H new ATOM 0 HH TYR A 93 -6.129 -5.417 -0.407 1.00 0.00 H new ATOM 1486 N HIS A 94 -4.339 -6.952 4.421 1.00 0.00 N ATOM 1487 CA HIS A 94 -3.142 -7.160 3.638 1.00 0.00 C ATOM 1488 C HIS A 94 -1.984 -7.471 4.570 1.00 0.00 C ATOM 1489 O HIS A 94 -1.176 -8.361 4.308 1.00 0.00 O ATOM 1490 CB HIS A 94 -2.823 -5.915 2.822 1.00 0.00 C ATOM 1491 CG HIS A 94 -3.543 -5.840 1.523 1.00 0.00 C ATOM 1492 ND1 HIS A 94 -3.708 -6.924 0.695 1.00 0.00 N ATOM 1493 CD2 HIS A 94 -4.134 -4.795 0.903 1.00 0.00 C ATOM 1494 CE1 HIS A 94 -4.370 -6.553 -0.379 1.00 0.00 C ATOM 1495 NE2 HIS A 94 -4.641 -5.265 -0.282 1.00 0.00 N ATOM 0 H HIS A 94 -4.713 -6.004 4.383 1.00 0.00 H new ATOM 0 HA HIS A 94 -3.301 -7.995 2.955 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -3.069 -5.033 3.413 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -1.750 -5.883 2.633 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -3.370 -7.868 0.884 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -4.196 -3.781 1.271 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -4.646 -7.195 -1.203 1.00 0.00 H new ATOM 1504 N GLN A 95 -1.926 -6.731 5.672 1.00 0.00 N ATOM 1505 CA GLN A 95 -0.882 -6.919 6.664 1.00 0.00 C ATOM 1506 C GLN A 95 -1.096 -8.234 7.405 1.00 0.00 C ATOM 1507 O GLN A 95 -0.151 -8.845 7.902 1.00 0.00 O ATOM 1508 CB GLN A 95 -0.872 -5.756 7.657 1.00 0.00 C ATOM 1509 CG GLN A 95 -0.359 -4.457 7.061 1.00 0.00 C ATOM 1510 CD GLN A 95 -0.738 -3.243 7.881 1.00 0.00 C ATOM 1511 OE1 GLN A 95 0.010 -2.810 8.758 1.00 0.00 O ATOM 1512 NE2 GLN A 95 -1.907 -2.688 7.597 1.00 0.00 N ATOM 0 H GLN A 95 -2.594 -5.994 5.898 1.00 0.00 H new ATOM 0 HA GLN A 95 0.081 -6.950 6.153 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -1.883 -5.600 8.032 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -0.252 -6.024 8.513 1.00 0.00 H new ATOM 0 HG2 GLN A 95 0.726 -4.506 6.975 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -0.754 -4.345 6.051 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -2.493 -3.082 6.861 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -2.221 -1.867 8.114 1.00 0.00 H new ATOM 1521 N TYR A 96 -2.357 -8.655 7.479 1.00 0.00 N ATOM 1522 CA TYR A 96 -2.723 -9.887 8.160 1.00 0.00 C ATOM 1523 C TYR A 96 -3.855 -10.600 7.430 1.00 0.00 C ATOM 1524 O TYR A 96 -5.002 -10.574 7.875 1.00 0.00 O ATOM 1525 CB TYR A 96 -3.162 -9.581 9.587 1.00 0.00 C ATOM 1526 CG TYR A 96 -2.259 -8.607 10.308 1.00 0.00 C ATOM 1527 CD1 TYR A 96 -1.090 -9.037 10.923 1.00 0.00 C ATOM 1528 CD2 TYR A 96 -2.576 -7.256 10.374 1.00 0.00 C ATOM 1529 CE1 TYR A 96 -0.262 -8.148 11.582 1.00 0.00 C ATOM 1530 CE2 TYR A 96 -1.754 -6.361 11.032 1.00 0.00 C ATOM 1531 CZ TYR A 96 -0.598 -6.812 11.635 1.00 0.00 C ATOM 1532 OH TYR A 96 0.223 -5.924 12.291 1.00 0.00 O ATOM 0 H TYR A 96 -3.146 -8.153 7.071 1.00 0.00 H new ATOM 0 HA TYR A 96 -1.849 -10.538 8.172 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -4.174 -9.177 9.567 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -3.202 -10.512 10.152 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -0.824 -10.083 10.886 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -3.480 -6.899 9.903 1.00 0.00 H new ATOM 0 HE1 TYR A 96 0.644 -8.498 12.053 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -2.015 -5.314 11.074 1.00 0.00 H new ATOM 0 HH TYR A 96 -0.158 -5.023 12.234 1.00 0.00 H new ATOM 1542 N ASN A 97 -3.532 -11.238 6.314 1.00 0.00 N ATOM 1543 CA ASN A 97 -4.535 -11.955 5.537 1.00 0.00 C ATOM 1544 C ASN A 97 -3.956 -12.445 4.215 1.00 0.00 C ATOM 1545 O ASN A 97 -2.786 -12.209 3.913 1.00 0.00 O ATOM 1546 CB ASN A 97 -5.745 -11.057 5.272 1.00 0.00 C ATOM 1547 CG ASN A 97 -7.060 -11.778 5.491 1.00 0.00 C ATOM 1548 OD1 ASN A 97 -7.488 -12.579 4.659 1.00 0.00 O ATOM 1549 ND2 ASN A 97 -7.708 -11.495 6.614 1.00 0.00 N ATOM 0 H ASN A 97 -2.589 -11.274 5.927 1.00 0.00 H new ATOM 0 HA ASN A 97 -4.852 -12.821 6.117 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -5.698 -10.187 5.926 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -5.703 -10.688 4.247 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -8.599 -11.948 6.817 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -7.315 -10.824 7.274 1.00 0.00 H new ATOM 1556 N GLY A 98 -4.785 -13.118 3.424 1.00 0.00 N ATOM 1557 CA GLY A 98 -4.339 -13.617 2.138 1.00 0.00 C ATOM 1558 C GLY A 98 -4.076 -12.493 1.157 1.00 0.00 C ATOM 1559 O GLY A 98 -3.829 -12.730 -0.025 1.00 0.00 O ATOM 0 H GLY A 98 -5.757 -13.326 3.651 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -3.430 -14.203 2.271 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -5.093 -14.288 1.727 1.00 0.00 H new ATOM 1563 N GLY A 99 -4.133 -11.262 1.658 1.00 0.00 N ATOM 1564 CA GLY A 99 -3.902 -10.100 0.824 1.00 0.00 C ATOM 1565 C GLY A 99 -2.968 -10.381 -0.337 1.00 0.00 C ATOM 1566 O GLY A 99 -3.049 -9.727 -1.377 1.00 0.00 O ATOM 0 H GLY A 99 -4.337 -11.050 2.635 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -4.856 -9.742 0.437 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -3.484 -9.299 1.434 1.00 0.00 H new ATOM 1570 N GLY A 100 -2.074 -11.347 -0.160 1.00 0.00 N ATOM 1571 CA GLY A 100 -1.131 -11.683 -1.210 1.00 0.00 C ATOM 1572 C GLY A 100 -0.056 -10.626 -1.362 1.00 0.00 C ATOM 1573 O GLY A 100 0.985 -10.691 -0.708 1.00 0.00 O ATOM 0 H GLY A 100 -1.985 -11.903 0.691 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -0.667 -12.644 -0.988 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -1.664 -11.797 -2.154 1.00 0.00 H new ATOM 1577 N LEU A 101 -0.313 -9.642 -2.218 1.00 0.00 N ATOM 1578 CA LEU A 101 0.639 -8.560 -2.441 1.00 0.00 C ATOM 1579 C LEU A 101 2.074 -9.070 -2.327 1.00 0.00 C ATOM 1580 O LEU A 101 2.314 -10.277 -2.359 1.00 0.00 O ATOM 1581 CB LEU A 101 0.393 -7.445 -1.425 1.00 0.00 C ATOM 1582 CG LEU A 101 -0.479 -6.294 -1.920 1.00 0.00 C ATOM 1583 CD1 LEU A 101 -1.907 -6.767 -2.145 1.00 0.00 C ATOM 1584 CD2 LEU A 101 -0.442 -5.148 -0.922 1.00 0.00 C ATOM 0 H LEU A 101 -1.170 -9.572 -2.767 1.00 0.00 H new ATOM 0 HA LEU A 101 0.497 -8.169 -3.448 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -0.073 -7.878 -0.540 1.00 0.00 H new ATOM 0 HB3 LEU A 101 1.356 -7.041 -1.112 1.00 0.00 H new ATOM 0 HG LEU A 101 -0.086 -5.938 -2.873 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -2.515 -5.934 -2.498 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -1.914 -7.562 -2.890 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.317 -7.144 -1.208 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -1.067 -4.331 -1.283 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -0.816 -5.493 0.042 1.00 0.00 H new ATOM 0 HD23 LEU A 101 0.584 -4.797 -0.808 1.00 0.00 H new ATOM 1596 N VAL A 102 3.030 -8.151 -2.193 1.00 0.00 N ATOM 1597 CA VAL A 102 4.432 -8.538 -2.072 1.00 0.00 C ATOM 1598 C VAL A 102 4.585 -9.676 -1.076 1.00 0.00 C ATOM 1599 O VAL A 102 5.362 -10.606 -1.290 1.00 0.00 O ATOM 1600 CB VAL A 102 5.328 -7.366 -1.624 1.00 0.00 C ATOM 1601 CG1 VAL A 102 5.698 -6.483 -2.805 1.00 0.00 C ATOM 1602 CG2 VAL A 102 4.650 -6.555 -0.530 1.00 0.00 C ATOM 0 H VAL A 102 2.861 -7.145 -2.166 1.00 0.00 H new ATOM 0 HA VAL A 102 4.753 -8.856 -3.064 1.00 0.00 H new ATOM 0 HB VAL A 102 6.249 -7.782 -1.215 1.00 0.00 H new ATOM 0 HG11 VAL A 102 6.330 -5.664 -2.463 1.00 0.00 H new ATOM 0 HG12 VAL A 102 6.238 -7.073 -3.545 1.00 0.00 H new ATOM 0 HG13 VAL A 102 4.791 -6.078 -3.255 1.00 0.00 H new ATOM 0 HG21 VAL A 102 5.301 -5.734 -0.230 1.00 0.00 H new ATOM 0 HG22 VAL A 102 3.709 -6.154 -0.905 1.00 0.00 H new ATOM 0 HG23 VAL A 102 4.454 -7.196 0.330 1.00 0.00 H new ATOM 1612 N THR A 103 3.832 -9.597 0.017 1.00 0.00 N ATOM 1613 CA THR A 103 3.879 -10.624 1.049 1.00 0.00 C ATOM 1614 C THR A 103 2.832 -10.368 2.126 1.00 0.00 C ATOM 1615 O THR A 103 2.973 -10.819 3.263 1.00 0.00 O ATOM 1616 CB THR A 103 5.273 -10.689 1.676 1.00 0.00 C ATOM 1617 OG1 THR A 103 5.240 -10.229 3.014 1.00 0.00 O ATOM 1618 CG2 THR A 103 6.305 -9.868 0.931 1.00 0.00 C ATOM 0 H THR A 103 3.184 -8.834 0.210 1.00 0.00 H new ATOM 0 HA THR A 103 3.658 -11.582 0.578 1.00 0.00 H new ATOM 0 HB THR A 103 5.565 -11.738 1.626 1.00 0.00 H new ATOM 0 HG1 THR A 103 4.610 -10.773 3.532 1.00 0.00 H new ATOM 0 HG21 THR A 103 7.270 -9.959 1.429 1.00 0.00 H new ATOM 0 HG22 THR A 103 6.389 -10.232 -0.093 1.00 0.00 H new ATOM 0 HG23 THR A 103 5.999 -8.822 0.920 1.00 0.00 H new ATOM 1626 N ARG A 104 1.779 -9.654 1.752 1.00 0.00 N ATOM 1627 CA ARG A 104 0.692 -9.341 2.673 1.00 0.00 C ATOM 1628 C ARG A 104 1.072 -8.219 3.640 1.00 0.00 C ATOM 1629 O ARG A 104 1.267 -8.453 4.833 1.00 0.00 O ATOM 1630 CB ARG A 104 0.284 -10.593 3.454 1.00 0.00 C ATOM 1631 CG ARG A 104 1.062 -10.793 4.745 1.00 0.00 C ATOM 1632 CD ARG A 104 0.268 -10.320 5.950 1.00 0.00 C ATOM 1633 NE ARG A 104 -0.319 -11.433 6.691 1.00 0.00 N ATOM 1634 CZ ARG A 104 -0.015 -11.723 7.952 1.00 0.00 C ATOM 1635 NH1 ARG A 104 0.869 -10.987 8.614 1.00 0.00 N ATOM 1636 NH2 ARG A 104 -0.595 -12.752 8.555 1.00 0.00 N ATOM 0 H ARG A 104 1.653 -9.278 0.812 1.00 0.00 H new ATOM 0 HA ARG A 104 -0.153 -8.994 2.079 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -0.779 -10.534 3.687 1.00 0.00 H new ATOM 0 HB3 ARG A 104 0.423 -11.467 2.818 1.00 0.00 H new ATOM 0 HG2 ARG A 104 1.310 -11.848 4.862 1.00 0.00 H new ATOM 0 HG3 ARG A 104 2.004 -10.248 4.692 1.00 0.00 H new ATOM 0 HD2 ARG A 104 0.919 -9.748 6.611 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -0.523 -9.646 5.621 1.00 0.00 H new ATOM 0 HE ARG A 104 -1.002 -12.022 6.213 1.00 0.00 H new ATOM 0 HH11 ARG A 104 1.319 -10.195 8.155 1.00 0.00 H new ATOM 0 HH12 ARG A 104 1.099 -11.214 9.582 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -1.275 -13.321 8.051 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -0.361 -12.974 9.523 1.00 0.00 H new ATOM 1650 N LEU A 105 1.166 -6.998 3.122 1.00 0.00 N ATOM 1651 CA LEU A 105 1.509 -5.844 3.950 1.00 0.00 C ATOM 1652 C LEU A 105 2.297 -6.274 5.172 1.00 0.00 C ATOM 1653 O LEU A 105 1.751 -6.414 6.265 1.00 0.00 O ATOM 1654 CB LEU A 105 0.250 -5.119 4.395 1.00 0.00 C ATOM 1655 CG LEU A 105 -0.502 -4.412 3.289 1.00 0.00 C ATOM 1656 CD1 LEU A 105 0.041 -3.027 3.160 1.00 0.00 C ATOM 1657 CD2 LEU A 105 -0.368 -5.154 1.973 1.00 0.00 C ATOM 0 H LEU A 105 1.010 -6.781 2.137 1.00 0.00 H new ATOM 0 HA LEU A 105 2.122 -5.172 3.350 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -0.419 -5.839 4.867 1.00 0.00 H new ATOM 0 HB3 LEU A 105 0.519 -4.387 5.157 1.00 0.00 H new ATOM 0 HG LEU A 105 -1.563 -4.380 3.538 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -0.489 -2.501 2.366 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -0.093 -2.494 4.101 1.00 0.00 H new ATOM 0 HD13 LEU A 105 1.103 -3.074 2.918 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -0.919 -4.622 1.198 1.00 0.00 H new ATOM 0 HD22 LEU A 105 0.684 -5.214 1.695 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -0.773 -6.160 2.080 1.00 0.00 H new ATOM 1669 N ARG A 106 3.577 -6.501 4.975 1.00 0.00 N ATOM 1670 CA ARG A 106 4.438 -6.938 6.049 1.00 0.00 C ATOM 1671 C ARG A 106 5.014 -5.778 6.845 1.00 0.00 C ATOM 1672 O ARG A 106 5.269 -5.909 8.042 1.00 0.00 O ATOM 1673 CB ARG A 106 5.571 -7.769 5.485 1.00 0.00 C ATOM 1674 CG ARG A 106 6.211 -7.200 4.233 1.00 0.00 C ATOM 1675 CD ARG A 106 6.789 -8.311 3.375 1.00 0.00 C ATOM 1676 NE ARG A 106 7.017 -9.533 4.143 1.00 0.00 N ATOM 1677 CZ ARG A 106 7.675 -9.568 5.297 1.00 0.00 C ATOM 1678 NH1 ARG A 106 8.176 -8.455 5.814 1.00 0.00 N ATOM 1679 NH2 ARG A 106 7.833 -10.720 5.936 1.00 0.00 N ATOM 0 H ARG A 106 4.045 -6.389 4.076 1.00 0.00 H new ATOM 0 HA ARG A 106 3.828 -7.532 6.730 1.00 0.00 H new ATOM 0 HB2 ARG A 106 6.339 -7.880 6.251 1.00 0.00 H new ATOM 0 HB3 ARG A 106 5.196 -8.768 5.263 1.00 0.00 H new ATOM 0 HG2 ARG A 106 5.470 -6.640 3.662 1.00 0.00 H new ATOM 0 HG3 ARG A 106 6.999 -6.498 4.508 1.00 0.00 H new ATOM 0 HD2 ARG A 106 6.109 -8.523 2.550 1.00 0.00 H new ATOM 0 HD3 ARG A 106 7.729 -7.978 2.936 1.00 0.00 H new ATOM 0 HE ARG A 106 6.650 -10.409 3.772 1.00 0.00 H new ATOM 0 HH11 ARG A 106 8.057 -7.567 5.326 1.00 0.00 H new ATOM 0 HH12 ARG A 106 8.680 -8.486 6.700 1.00 0.00 H new ATOM 0 HH21 ARG A 106 7.449 -11.579 5.541 1.00 0.00 H new ATOM 0 HH22 ARG A 106 8.338 -10.747 6.822 1.00 0.00 H new ATOM 1693 N TYR A 107 5.249 -4.658 6.182 1.00 0.00 N ATOM 1694 CA TYR A 107 5.837 -3.511 6.871 1.00 0.00 C ATOM 1695 C TYR A 107 5.462 -2.159 6.277 1.00 0.00 C ATOM 1696 O TYR A 107 6.207 -1.613 5.463 1.00 0.00 O ATOM 1697 CB TYR A 107 7.356 -3.624 6.852 1.00 0.00 C ATOM 1698 CG TYR A 107 8.020 -2.425 7.473 1.00 0.00 C ATOM 1699 CD1 TYR A 107 8.329 -1.302 6.721 1.00 0.00 C ATOM 1700 CD2 TYR A 107 8.309 -2.410 8.826 1.00 0.00 C ATOM 1701 CE1 TYR A 107 8.914 -0.196 7.305 1.00 0.00 C ATOM 1702 CE2 TYR A 107 8.893 -1.314 9.415 1.00 0.00 C ATOM 1703 CZ TYR A 107 9.195 -0.206 8.652 1.00 0.00 C ATOM 1704 OH TYR A 107 9.777 0.893 9.239 1.00 0.00 O ATOM 0 H TYR A 107 5.049 -4.515 5.192 1.00 0.00 H new ATOM 0 HA TYR A 107 5.433 -3.544 7.883 1.00 0.00 H new ATOM 0 HB2 TYR A 107 7.659 -4.524 7.388 1.00 0.00 H new ATOM 0 HB3 TYR A 107 7.698 -3.735 5.823 1.00 0.00 H new ATOM 0 HD1 TYR A 107 8.109 -1.292 5.664 1.00 0.00 H new ATOM 0 HD2 TYR A 107 8.072 -3.274 9.429 1.00 0.00 H new ATOM 0 HE1 TYR A 107 9.150 0.672 6.708 1.00 0.00 H new ATOM 0 HE2 TYR A 107 9.115 -1.321 10.472 1.00 0.00 H new ATOM 0 HH TYR A 107 9.084 1.447 9.655 1.00 0.00 H new ATOM 1714 N PRO A 108 4.342 -1.558 6.711 1.00 0.00 N ATOM 1715 CA PRO A 108 3.959 -0.233 6.243 1.00 0.00 C ATOM 1716 C PRO A 108 5.110 0.748 6.469 1.00 0.00 C ATOM 1717 O PRO A 108 5.846 0.623 7.447 1.00 0.00 O ATOM 1718 CB PRO A 108 2.753 0.138 7.120 1.00 0.00 C ATOM 1719 CG PRO A 108 2.755 -0.842 8.243 1.00 0.00 C ATOM 1720 CD PRO A 108 3.399 -2.085 7.706 1.00 0.00 C ATOM 0 HA PRO A 108 3.723 -0.206 5.179 1.00 0.00 H new ATOM 0 HB2 PRO A 108 2.838 1.159 7.491 1.00 0.00 H new ATOM 0 HB3 PRO A 108 1.824 0.082 6.553 1.00 0.00 H new ATOM 0 HG2 PRO A 108 3.308 -0.454 9.098 1.00 0.00 H new ATOM 0 HG3 PRO A 108 1.740 -1.045 8.585 1.00 0.00 H new ATOM 0 HD2 PRO A 108 3.909 -2.647 8.489 1.00 0.00 H new ATOM 0 HD3 PRO A 108 2.669 -2.757 7.255 1.00 0.00 H new ATOM 1728 N VAL A 109 5.282 1.707 5.569 1.00 0.00 N ATOM 1729 CA VAL A 109 6.363 2.673 5.697 1.00 0.00 C ATOM 1730 C VAL A 109 5.851 4.098 5.541 1.00 0.00 C ATOM 1731 O VAL A 109 4.920 4.353 4.780 1.00 0.00 O ATOM 1732 CB VAL A 109 7.467 2.409 4.658 1.00 0.00 C ATOM 1733 CG1 VAL A 109 6.852 2.023 3.323 1.00 0.00 C ATOM 1734 CG2 VAL A 109 8.371 3.623 4.509 1.00 0.00 C ATOM 0 H VAL A 109 4.691 1.836 4.748 1.00 0.00 H new ATOM 0 HA VAL A 109 6.781 2.557 6.697 1.00 0.00 H new ATOM 0 HB VAL A 109 8.080 1.578 5.008 1.00 0.00 H new ATOM 0 HG11 VAL A 109 7.644 1.839 2.597 1.00 0.00 H new ATOM 0 HG12 VAL A 109 6.255 1.119 3.445 1.00 0.00 H new ATOM 0 HG13 VAL A 109 6.215 2.833 2.968 1.00 0.00 H new ATOM 0 HG21 VAL A 109 9.144 3.413 3.769 1.00 0.00 H new ATOM 0 HG22 VAL A 109 7.780 4.479 4.183 1.00 0.00 H new ATOM 0 HG23 VAL A 109 8.838 3.849 5.468 1.00 0.00 H new ATOM 1744 N CYS A 110 6.460 5.021 6.276 1.00 0.00 N ATOM 1745 CA CYS A 110 6.061 6.420 6.226 1.00 0.00 C ATOM 1746 C CYS A 110 7.282 7.327 6.111 1.00 0.00 C ATOM 1747 O CYS A 110 7.822 7.790 7.115 1.00 0.00 O ATOM 1748 CB CYS A 110 5.250 6.785 7.471 1.00 0.00 C ATOM 1749 SG CYS A 110 5.561 8.454 8.094 1.00 0.00 S ATOM 0 H CYS A 110 7.232 4.825 6.913 1.00 0.00 H new ATOM 0 HA CYS A 110 5.439 6.566 5.343 1.00 0.00 H new ATOM 0 HB2 CYS A 110 4.189 6.687 7.242 1.00 0.00 H new ATOM 0 HB3 CYS A 110 5.474 6.067 8.260 1.00 0.00 H new ATOM 0 HG CYS A 110 6.802 8.774 7.877 1.00 0.00 H new ATOM 1755 N GLY A 111 7.710 7.576 4.878 1.00 0.00 N ATOM 1756 CA GLY A 111 8.864 8.425 4.651 1.00 0.00 C ATOM 1757 C GLY A 111 8.529 9.899 4.758 1.00 0.00 C ATOM 1758 O GLY A 111 7.510 10.270 5.342 1.00 0.00 O ATOM 0 H GLY A 111 7.278 7.205 4.032 1.00 0.00 H new ATOM 0 HA2 GLY A 111 9.641 8.179 5.375 1.00 0.00 H new ATOM 0 HA3 GLY A 111 9.274 8.219 3.662 1.00 0.00 H new HETATM 1762 N NH2 A 112 9.383 10.751 4.199 1.00 0.00 N TER 1765 NH2 A 112