USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=40 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 81 LYS NZ :NH3+ -159:sc= -7.68! (180deg=-8.2!) USER MOD Set 1.2: A 82 TYR OH : rot 180:sc= 0.00307 USER MOD Set 1.3: A 93 TYR OH : rot 45:sc= -7.31! USER MOD Set 1.4: A 94 HIS : no HE2:sc= -46.8! C(o=-62!,f=-66!) USER MOD Set 2.1: A 62 LYS NZ :NH3+ -153:sc= 1.78 (180deg=-0.52) USER MOD Set 2.2: A 64 TYR OH : rot 43:sc= -3.4! USER MOD Set 3.1: A 39 SER OG : rot 170:sc= 0 USER MOD Set 3.2: A 44 THR OG1 : rot 177:sc= -4.45! USER MOD Set 3.3: A 46 THR OG1 : rot 77:sc= -2.23! USER MOD Set 3.4: A 65 HIS : no HE2:sc= -29.8! C(o=-36!,f=-45!) USER MOD Set 4.1: A 30 LYS NZ :NH3+ -125:sc= -0.827! (180deg=-3.33!) USER MOD Set 4.2: A 107 TYR OH : rot -78:sc= 0.298 USER MOD Set 5.1: A 13 ASN : amide:sc= -18.9! C(o=-44!,f=-47!) USER MOD Set 5.2: A 35 MET CE :methyl -149:sc= -25.1! (180deg=-11.6!) USER MOD Single : A 4 ASN : amide:sc= -3.92! C(o=-3.9!,f=-5.2!) USER MOD Single : A 5 ASN :FLIP amide:sc= -0.219 F(o=-1.2!,f=-0.22) USER MOD Single : A 8 THR OG1 : rot -70:sc= -0.103! USER MOD Single : A 9 TYR OH : rot -165:sc= -3.43! USER MOD Single : A 12 TYR OH : rot 63:sc= -1.39! USER MOD Single : A 14 LYS NZ :NH3+ 144:sc= 1.07 (180deg=-0.16!) USER MOD Single : A 15 SER OG : rot 22:sc= 0.327! USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -134:sc= -0.672 (180deg=-1.1!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 129:sc= -7.28! USER MOD Single : A 41 THR OG1 : rot -170:sc= -6.46! USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 178:sc= -17.1! USER MOD Single : A 51 THR OG1 : rot 103:sc= -12.6! USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot -53:sc= 0.022 USER MOD Single : A 58 ASN : amide:sc= -5.54! C(o=-5.5!,f=-6.5!) USER MOD Single : A 60 CYS SG : rot 180:sc= -0.0251 USER MOD Single : A 63 HIS :FLIP no HE2:sc= -0.225 F(o=-2.3!,f=-0.23) USER MOD Single : A 67 LYS NZ :NH3+ -105:sc= -1.73! (180deg=-5.03!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.545 K(o=-0.54,f=-2.1!) USER MOD Single : A 72 SER OG : rot -62:sc= 0.875 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= -0.0819 USER MOD Single : A 77 TYR OH : rot -15:sc= -1.91! USER MOD Single : A 86 SER OG : rot 39:sc= 1.26 USER MOD Single : A 92 GLN :FLIP amide:sc= -2.21! C(o=-6.2!,f=-2.2!) USER MOD Single : A 95 GLN :FLIP amide:sc= -9.6! C(o=-10!,f=-9.6!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 THR OG1 : rot -50:sc= -6.32! USER MOD Single : A 110 CYS SG : rot -47:sc= 0.527! USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 3 -12.196 9.872 3.939 1.00 0.00 C HETATM 2 O ACE A 3 -12.484 8.914 4.658 1.00 0.00 O HETATM 3 CH3 ACE A 3 -13.051 10.227 2.749 1.00 0.00 C HETATM 0 H1 ACE A 3 -13.438 11.239 2.868 1.00 0.00 H new HETATM 0 H2 ACE A 3 -12.451 10.172 1.841 1.00 0.00 H new HETATM 0 H3 ACE A 3 -13.883 9.527 2.677 1.00 0.00 H new ATOM 7 N ASN A 4 -11.135 10.643 4.151 1.00 0.00 N ATOM 8 CA ASN A 4 -10.227 10.403 5.266 1.00 0.00 C ATOM 9 C ASN A 4 -8.818 10.882 4.933 1.00 0.00 C ATOM 10 O ASN A 4 -8.147 11.496 5.763 1.00 0.00 O ATOM 11 CB ASN A 4 -10.202 8.916 5.621 1.00 0.00 C ATOM 12 CG ASN A 4 -11.231 8.555 6.675 1.00 0.00 C ATOM 13 OD1 ASN A 4 -11.565 9.369 7.537 1.00 0.00 O ATOM 14 ND2 ASN A 4 -11.738 7.330 6.612 1.00 0.00 N ATOM 0 H ASN A 4 -10.883 11.439 3.565 1.00 0.00 H new ATOM 0 HA ASN A 4 -10.590 10.968 6.125 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -10.385 8.328 4.722 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -9.209 8.648 5.980 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -12.434 7.030 7.295 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -11.432 6.688 5.880 1.00 0.00 H new ATOM 21 N ASN A 5 -8.374 10.595 3.714 1.00 0.00 N ATOM 22 CA ASN A 5 -7.044 10.996 3.270 1.00 0.00 C ATOM 23 C ASN A 5 -5.968 10.149 3.944 1.00 0.00 C ATOM 24 O ASN A 5 -4.788 10.253 3.614 1.00 0.00 O ATOM 25 CB ASN A 5 -6.808 12.477 3.572 1.00 0.00 C ATOM 26 CG ASN A 5 -7.117 13.365 2.384 1.00 0.00 C ATOM 27 OD1 ASN A 5 -6.737 12.916 1.193 1.00 0.00 O flip ATOM 28 ND2 ASN A 5 -7.692 14.444 2.533 1.00 0.00 N flip ATOM 0 H ASN A 5 -8.916 10.086 3.016 1.00 0.00 H new ATOM 0 HA ASN A 5 -6.984 10.838 2.193 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -7.428 12.776 4.417 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -5.770 12.623 3.871 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -7.967 14.751 3.466 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -7.894 15.031 1.723 1.00 0.00 H new ATOM 35 N LEU A 6 -6.387 9.313 4.887 1.00 0.00 N ATOM 36 CA LEU A 6 -5.464 8.445 5.610 1.00 0.00 C ATOM 37 C LEU A 6 -4.350 9.255 6.265 1.00 0.00 C ATOM 38 O LEU A 6 -4.225 9.284 7.488 1.00 0.00 O ATOM 39 CB LEU A 6 -4.860 7.403 4.666 1.00 0.00 C ATOM 40 CG LEU A 6 -5.694 7.087 3.422 1.00 0.00 C ATOM 41 CD1 LEU A 6 -4.886 6.257 2.438 1.00 0.00 C ATOM 42 CD2 LEU A 6 -6.972 6.358 3.806 1.00 0.00 C ATOM 0 H LEU A 6 -7.362 9.218 5.170 1.00 0.00 H new ATOM 0 HA LEU A 6 -6.028 7.936 6.392 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -3.878 7.752 4.346 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -4.704 6.479 5.223 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.965 8.027 2.942 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.494 6.041 1.559 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.997 6.812 2.137 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.587 5.322 2.911 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -7.551 6.142 2.908 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -6.721 5.424 4.309 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.561 6.984 4.476 1.00 0.00 H new ATOM 54 N GLU A 7 -3.542 9.902 5.438 1.00 0.00 N ATOM 55 CA GLU A 7 -2.426 10.710 5.914 1.00 0.00 C ATOM 56 C GLU A 7 -2.219 10.553 7.416 1.00 0.00 C ATOM 57 O GLU A 7 -2.232 11.531 8.164 1.00 0.00 O ATOM 58 CB GLU A 7 -2.641 12.183 5.564 1.00 0.00 C ATOM 59 CG GLU A 7 -4.076 12.649 5.749 1.00 0.00 C ATOM 60 CD GLU A 7 -4.288 14.079 5.295 1.00 0.00 C ATOM 61 OE1 GLU A 7 -3.982 15.002 6.080 1.00 0.00 O ATOM 62 OE2 GLU A 7 -4.759 14.278 4.156 1.00 0.00 O ATOM 0 H GLU A 7 -3.640 9.883 4.423 1.00 0.00 H new ATOM 0 HA GLU A 7 -1.527 10.353 5.412 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -1.986 12.795 6.185 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -2.345 12.349 4.528 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -4.742 11.992 5.190 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -4.350 12.561 6.800 1.00 0.00 H new ATOM 69 N THR A 8 -2.023 9.314 7.845 1.00 0.00 N ATOM 70 CA THR A 8 -1.809 9.007 9.241 1.00 0.00 C ATOM 71 C THR A 8 -1.124 7.653 9.386 1.00 0.00 C ATOM 72 O THR A 8 -0.298 7.449 10.275 1.00 0.00 O ATOM 73 CB THR A 8 -3.143 8.990 9.971 1.00 0.00 C ATOM 74 OG1 THR A 8 -4.086 8.197 9.274 1.00 0.00 O ATOM 75 CG2 THR A 8 -3.741 10.366 10.156 1.00 0.00 C ATOM 0 H THR A 8 -2.009 8.499 7.232 1.00 0.00 H new ATOM 0 HA THR A 8 -1.167 9.773 9.677 1.00 0.00 H new ATOM 0 HB THR A 8 -2.929 8.572 10.955 1.00 0.00 H new ATOM 0 HG1 THR A 8 -4.343 8.649 8.443 1.00 0.00 H new ATOM 0 HG21 THR A 8 -4.691 10.282 10.683 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.057 10.985 10.737 1.00 0.00 H new ATOM 0 HG23 THR A 8 -3.906 10.825 9.181 1.00 0.00 H new ATOM 83 N TYR A 9 -1.486 6.731 8.501 1.00 0.00 N ATOM 84 CA TYR A 9 -0.931 5.386 8.511 1.00 0.00 C ATOM 85 C TYR A 9 0.559 5.392 8.244 1.00 0.00 C ATOM 86 O TYR A 9 1.034 6.031 7.305 1.00 0.00 O ATOM 87 CB TYR A 9 -1.636 4.536 7.467 1.00 0.00 C ATOM 88 CG TYR A 9 -3.126 4.590 7.648 1.00 0.00 C ATOM 89 CD1 TYR A 9 -3.894 5.563 7.014 1.00 0.00 C ATOM 90 CD2 TYR A 9 -3.760 3.692 8.487 1.00 0.00 C ATOM 91 CE1 TYR A 9 -5.257 5.627 7.217 1.00 0.00 C ATOM 92 CE2 TYR A 9 -5.118 3.748 8.691 1.00 0.00 C ATOM 93 CZ TYR A 9 -5.865 4.719 8.056 1.00 0.00 C ATOM 94 OH TYR A 9 -7.224 4.779 8.260 1.00 0.00 O ATOM 0 H TYR A 9 -2.169 6.895 7.761 1.00 0.00 H new ATOM 0 HA TYR A 9 -1.090 4.965 9.504 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -1.374 4.887 6.469 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -1.294 3.504 7.541 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -3.418 6.275 6.356 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -3.178 2.934 8.990 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -5.845 6.385 6.721 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -5.598 3.035 9.345 1.00 0.00 H new ATOM 0 HH TYR A 9 -7.461 4.240 9.043 1.00 0.00 H new ATOM 104 N GLU A 10 1.292 4.657 9.061 1.00 0.00 N ATOM 105 CA GLU A 10 2.726 4.555 8.898 1.00 0.00 C ATOM 106 C GLU A 10 3.058 4.229 7.452 1.00 0.00 C ATOM 107 O GLU A 10 4.204 4.341 7.029 1.00 0.00 O ATOM 108 CB GLU A 10 3.280 3.460 9.809 1.00 0.00 C ATOM 109 CG GLU A 10 4.430 2.682 9.192 1.00 0.00 C ATOM 110 CD GLU A 10 5.414 2.176 10.230 1.00 0.00 C ATOM 111 OE1 GLU A 10 5.217 1.053 10.739 1.00 0.00 O ATOM 112 OE2 GLU A 10 6.383 2.905 10.533 1.00 0.00 O ATOM 0 H GLU A 10 0.915 4.123 9.844 1.00 0.00 H new ATOM 0 HA GLU A 10 3.180 5.508 9.167 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.616 3.911 10.743 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.477 2.767 10.061 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.032 1.836 8.631 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.954 3.319 8.480 1.00 0.00 H new ATOM 119 N TRP A 11 2.047 3.783 6.709 1.00 0.00 N ATOM 120 CA TRP A 11 2.232 3.390 5.322 1.00 0.00 C ATOM 121 C TRP A 11 1.749 4.436 4.314 1.00 0.00 C ATOM 122 O TRP A 11 2.265 4.507 3.200 1.00 0.00 O ATOM 123 CB TRP A 11 1.477 2.093 5.080 1.00 0.00 C ATOM 124 CG TRP A 11 0.106 2.085 5.692 1.00 0.00 C ATOM 125 CD1 TRP A 11 -0.272 1.557 6.897 1.00 0.00 C ATOM 126 CD2 TRP A 11 -1.082 2.617 5.101 1.00 0.00 C ATOM 127 NE1 TRP A 11 -1.628 1.723 7.080 1.00 0.00 N ATOM 128 CE2 TRP A 11 -2.143 2.375 5.992 1.00 0.00 C ATOM 129 CE3 TRP A 11 -1.345 3.275 3.903 1.00 0.00 C ATOM 130 CZ2 TRP A 11 -3.448 2.767 5.715 1.00 0.00 C ATOM 131 CZ3 TRP A 11 -2.640 3.664 3.628 1.00 0.00 C ATOM 132 CH2 TRP A 11 -3.677 3.409 4.529 1.00 0.00 C ATOM 0 H TRP A 11 1.090 3.686 7.050 1.00 0.00 H new ATOM 0 HA TRP A 11 3.305 3.275 5.166 1.00 0.00 H new ATOM 0 HB2 TRP A 11 1.390 1.926 4.006 1.00 0.00 H new ATOM 0 HB3 TRP A 11 2.054 1.263 5.486 1.00 0.00 H new ATOM 0 HD1 TRP A 11 0.394 1.080 7.601 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -2.160 1.411 7.892 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -0.550 3.478 3.201 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -4.251 2.572 6.410 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -2.856 4.174 2.701 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -4.680 3.725 4.284 1.00 0.00 H new ATOM 143 N TYR A 12 0.734 5.212 4.665 1.00 0.00 N ATOM 144 CA TYR A 12 0.193 6.190 3.723 1.00 0.00 C ATOM 145 C TYR A 12 1.133 7.361 3.454 1.00 0.00 C ATOM 146 O TYR A 12 1.498 8.111 4.360 1.00 0.00 O ATOM 147 CB TYR A 12 -1.156 6.726 4.188 1.00 0.00 C ATOM 148 CG TYR A 12 -1.874 7.513 3.111 1.00 0.00 C ATOM 149 CD1 TYR A 12 -2.160 6.936 1.881 1.00 0.00 C ATOM 150 CD2 TYR A 12 -2.261 8.829 3.320 1.00 0.00 C ATOM 151 CE1 TYR A 12 -2.811 7.647 0.892 1.00 0.00 C ATOM 152 CE2 TYR A 12 -2.914 9.547 2.337 1.00 0.00 C ATOM 153 CZ TYR A 12 -3.187 8.952 1.125 1.00 0.00 C ATOM 154 OH TYR A 12 -3.837 9.664 0.143 1.00 0.00 O ATOM 0 H TYR A 12 0.274 5.188 5.575 1.00 0.00 H new ATOM 0 HA TYR A 12 0.070 5.645 2.787 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -1.784 5.893 4.504 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -1.008 7.363 5.060 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -1.868 5.913 1.694 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -2.048 9.300 4.268 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -3.024 7.182 -0.059 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -3.209 10.570 2.518 1.00 0.00 H new ATOM 0 HH TYR A 12 -4.698 9.239 -0.054 1.00 0.00 H new ATOM 164 N ASN A 13 1.471 7.528 2.179 1.00 0.00 N ATOM 165 CA ASN A 13 2.317 8.628 1.727 1.00 0.00 C ATOM 166 C ASN A 13 1.554 9.443 0.689 1.00 0.00 C ATOM 167 O ASN A 13 1.500 9.079 -0.486 1.00 0.00 O ATOM 168 CB ASN A 13 3.629 8.103 1.137 1.00 0.00 C ATOM 169 CG ASN A 13 4.501 7.467 2.194 1.00 0.00 C ATOM 170 OD1 ASN A 13 5.527 8.019 2.590 1.00 0.00 O ATOM 171 ND2 ASN A 13 4.090 6.297 2.653 1.00 0.00 N ATOM 0 H ASN A 13 1.167 6.905 1.431 1.00 0.00 H new ATOM 0 HA ASN A 13 2.568 9.260 2.578 1.00 0.00 H new ATOM 0 HB2 ASN A 13 3.411 7.373 0.357 1.00 0.00 H new ATOM 0 HB3 ASN A 13 4.169 8.923 0.664 1.00 0.00 H new ATOM 0 HD21 ASN A 13 4.631 5.811 3.368 1.00 0.00 H new ATOM 0 HD22 ASN A 13 3.232 5.881 2.292 1.00 0.00 H new ATOM 178 N LYS A 14 0.939 10.531 1.140 1.00 0.00 N ATOM 179 CA LYS A 14 0.148 11.382 0.267 1.00 0.00 C ATOM 180 C LYS A 14 1.002 12.019 -0.823 1.00 0.00 C ATOM 181 O LYS A 14 0.896 11.668 -1.998 1.00 0.00 O ATOM 182 CB LYS A 14 -0.532 12.466 1.100 1.00 0.00 C ATOM 183 CG LYS A 14 -0.163 13.876 0.687 1.00 0.00 C ATOM 184 CD LYS A 14 -1.283 14.859 0.990 1.00 0.00 C ATOM 185 CE LYS A 14 -2.169 14.362 2.121 1.00 0.00 C ATOM 186 NZ LYS A 14 -3.002 15.454 2.695 1.00 0.00 N ATOM 0 H LYS A 14 0.975 10.843 2.110 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.603 10.764 -0.224 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.613 12.346 1.023 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.269 12.324 2.148 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.743 14.183 1.209 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.061 13.896 -0.379 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.857 15.826 1.258 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.886 15.013 0.095 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.817 13.567 1.752 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.548 13.929 2.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -3.933 15.076 2.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.532 15.844 3.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -3.124 16.206 1.987 1.00 0.00 H new ATOM 200 N SER A 15 1.836 12.969 -0.421 1.00 0.00 N ATOM 201 CA SER A 15 2.704 13.681 -1.356 1.00 0.00 C ATOM 202 C SER A 15 3.580 12.717 -2.153 1.00 0.00 C ATOM 203 O SER A 15 4.215 13.108 -3.132 1.00 0.00 O ATOM 204 CB SER A 15 3.585 14.678 -0.602 1.00 0.00 C ATOM 205 OG SER A 15 4.810 14.894 -1.281 1.00 0.00 O ATOM 0 H SER A 15 1.931 13.267 0.550 1.00 0.00 H new ATOM 0 HA SER A 15 2.066 14.217 -2.058 1.00 0.00 H new ATOM 0 HB2 SER A 15 3.056 15.624 -0.491 1.00 0.00 H new ATOM 0 HB3 SER A 15 3.784 14.305 0.403 1.00 0.00 H new ATOM 0 HG SER A 15 4.708 14.650 -2.225 1.00 0.00 H new ATOM 211 N ILE A 16 3.624 11.464 -1.719 1.00 0.00 N ATOM 212 CA ILE A 16 4.432 10.451 -2.376 1.00 0.00 C ATOM 213 C ILE A 16 4.022 10.199 -3.818 1.00 0.00 C ATOM 214 O ILE A 16 2.879 10.423 -4.213 1.00 0.00 O ATOM 215 CB ILE A 16 4.324 9.109 -1.648 1.00 0.00 C ATOM 216 CG1 ILE A 16 5.661 8.711 -1.058 1.00 0.00 C ATOM 217 CG2 ILE A 16 3.850 8.035 -2.612 1.00 0.00 C ATOM 218 CD1 ILE A 16 5.901 7.221 -1.130 1.00 0.00 C ATOM 0 H ILE A 16 3.105 11.126 -0.909 1.00 0.00 H new ATOM 0 HA ILE A 16 5.449 10.843 -2.353 1.00 0.00 H new ATOM 0 HB ILE A 16 3.603 9.214 -0.837 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.459 9.231 -1.589 1.00 0.00 H new ATOM 0 HG13 ILE A 16 5.707 9.034 -0.018 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.775 7.082 -2.087 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.872 8.308 -3.009 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.562 7.943 -3.432 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.872 6.987 -0.694 1.00 0.00 H new ATOM 0 HD12 ILE A 16 5.120 6.700 -0.576 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.884 6.900 -2.171 1.00 0.00 H new ATOM 230 N SER A 17 4.975 9.673 -4.575 1.00 0.00 N ATOM 231 CA SER A 17 4.759 9.304 -5.961 1.00 0.00 C ATOM 232 C SER A 17 5.174 7.850 -6.158 1.00 0.00 C ATOM 233 O SER A 17 5.474 7.152 -5.190 1.00 0.00 O ATOM 234 CB SER A 17 5.551 10.218 -6.888 1.00 0.00 C ATOM 235 OG SER A 17 4.850 10.456 -8.097 1.00 0.00 O ATOM 0 H SER A 17 5.921 9.491 -4.241 1.00 0.00 H new ATOM 0 HA SER A 17 3.703 9.416 -6.206 1.00 0.00 H new ATOM 0 HB2 SER A 17 5.748 11.166 -6.387 1.00 0.00 H new ATOM 0 HB3 SER A 17 6.518 9.766 -7.109 1.00 0.00 H new ATOM 0 HG SER A 17 5.380 11.047 -8.672 1.00 0.00 H new ATOM 241 N ARG A 18 5.200 7.395 -7.400 1.00 0.00 N ATOM 242 CA ARG A 18 5.594 6.021 -7.687 1.00 0.00 C ATOM 243 C ARG A 18 7.105 5.838 -7.546 1.00 0.00 C ATOM 244 O ARG A 18 7.573 4.839 -6.997 1.00 0.00 O ATOM 245 CB ARG A 18 5.155 5.627 -9.099 1.00 0.00 C ATOM 246 CG ARG A 18 4.879 6.815 -10.004 1.00 0.00 C ATOM 247 CD ARG A 18 4.800 6.396 -11.464 1.00 0.00 C ATOM 248 NE ARG A 18 5.879 6.976 -12.258 1.00 0.00 N ATOM 249 CZ ARG A 18 6.427 6.371 -13.307 1.00 0.00 C ATOM 250 NH1 ARG A 18 5.997 5.175 -13.685 1.00 0.00 N ATOM 251 NH2 ARG A 18 7.405 6.963 -13.979 1.00 0.00 N ATOM 0 H ARG A 18 4.956 7.949 -8.221 1.00 0.00 H new ATOM 0 HA ARG A 18 5.100 5.374 -6.962 1.00 0.00 H new ATOM 0 HB2 ARG A 18 5.930 5.008 -9.552 1.00 0.00 H new ATOM 0 HB3 ARG A 18 4.256 5.014 -9.033 1.00 0.00 H new ATOM 0 HG2 ARG A 18 3.943 7.289 -9.709 1.00 0.00 H new ATOM 0 HG3 ARG A 18 5.666 7.559 -9.880 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.844 5.309 -11.532 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.840 6.703 -11.878 1.00 0.00 H new ATOM 0 HE ARG A 18 6.232 7.896 -11.993 1.00 0.00 H new ATOM 0 HH11 ARG A 18 5.244 4.718 -13.171 1.00 0.00 H new ATOM 0 HH12 ARG A 18 6.419 4.712 -14.490 1.00 0.00 H new ATOM 0 HH21 ARG A 18 7.737 7.883 -13.691 1.00 0.00 H new ATOM 0 HH22 ARG A 18 7.825 6.498 -14.784 1.00 0.00 H new ATOM 265 N ASP A 19 7.860 6.797 -8.072 1.00 0.00 N ATOM 266 CA ASP A 19 9.321 6.743 -8.042 1.00 0.00 C ATOM 267 C ASP A 19 9.915 7.025 -6.657 1.00 0.00 C ATOM 268 O ASP A 19 10.959 6.474 -6.310 1.00 0.00 O ATOM 269 CB ASP A 19 9.897 7.735 -9.054 1.00 0.00 C ATOM 270 CG ASP A 19 9.681 7.289 -10.487 1.00 0.00 C ATOM 271 OD1 ASP A 19 9.816 6.077 -10.758 1.00 0.00 O ATOM 272 OD2 ASP A 19 9.378 8.151 -11.338 1.00 0.00 O ATOM 0 H ASP A 19 7.482 7.628 -8.528 1.00 0.00 H new ATOM 0 HA ASP A 19 9.597 5.721 -8.302 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.434 8.711 -8.906 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.965 7.858 -8.871 1.00 0.00 H new ATOM 277 N LYS A 20 9.281 7.901 -5.879 1.00 0.00 N ATOM 278 CA LYS A 20 9.807 8.251 -4.561 1.00 0.00 C ATOM 279 C LYS A 20 9.533 7.172 -3.524 1.00 0.00 C ATOM 280 O LYS A 20 10.379 6.890 -2.668 1.00 0.00 O ATOM 281 CB LYS A 20 9.216 9.575 -4.083 1.00 0.00 C ATOM 282 CG LYS A 20 9.145 10.626 -5.171 1.00 0.00 C ATOM 283 CD LYS A 20 7.720 10.816 -5.650 1.00 0.00 C ATOM 284 CE LYS A 20 7.044 11.977 -4.938 1.00 0.00 C ATOM 285 NZ LYS A 20 6.796 13.123 -5.856 1.00 0.00 N ATOM 0 H LYS A 20 8.415 8.375 -6.134 1.00 0.00 H new ATOM 0 HA LYS A 20 10.887 8.346 -4.669 1.00 0.00 H new ATOM 0 HB2 LYS A 20 8.214 9.398 -3.692 1.00 0.00 H new ATOM 0 HB3 LYS A 20 9.817 9.956 -3.257 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.535 11.572 -4.794 1.00 0.00 H new ATOM 0 HG3 LYS A 20 9.778 10.331 -6.008 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.717 10.996 -6.725 1.00 0.00 H new ATOM 0 HD3 LYS A 20 7.152 9.902 -5.478 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.098 11.641 -4.513 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.668 12.306 -4.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.089 14.008 -5.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.343 12.992 -6.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.783 13.171 -6.085 1.00 0.00 H new ATOM 299 N ALA A 21 8.346 6.581 -3.582 1.00 0.00 N ATOM 300 CA ALA A 21 7.977 5.554 -2.621 1.00 0.00 C ATOM 301 C ALA A 21 9.066 4.494 -2.501 1.00 0.00 C ATOM 302 O ALA A 21 9.511 4.163 -1.398 1.00 0.00 O ATOM 303 CB ALA A 21 6.639 4.928 -2.971 1.00 0.00 C ATOM 0 H ALA A 21 7.630 6.793 -4.277 1.00 0.00 H new ATOM 0 HA ALA A 21 7.873 6.035 -1.648 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.391 4.164 -2.234 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.866 5.697 -2.971 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.698 4.473 -3.960 1.00 0.00 H new ATOM 309 N GLU A 22 9.512 3.970 -3.628 1.00 0.00 N ATOM 310 CA GLU A 22 10.559 2.963 -3.604 1.00 0.00 C ATOM 311 C GLU A 22 11.790 3.508 -2.886 1.00 0.00 C ATOM 312 O GLU A 22 12.289 2.902 -1.927 1.00 0.00 O ATOM 313 CB GLU A 22 10.921 2.522 -5.024 1.00 0.00 C ATOM 314 CG GLU A 22 9.818 1.743 -5.719 1.00 0.00 C ATOM 315 CD GLU A 22 10.348 0.824 -6.803 1.00 0.00 C ATOM 316 OE1 GLU A 22 11.581 0.635 -6.871 1.00 0.00 O ATOM 317 OE2 GLU A 22 9.529 0.292 -7.583 1.00 0.00 O ATOM 0 H GLU A 22 9.173 4.219 -4.557 1.00 0.00 H new ATOM 0 HA GLU A 22 10.190 2.092 -3.062 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.162 3.403 -5.619 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.820 1.907 -4.986 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.274 1.153 -4.981 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.105 2.442 -6.157 1.00 0.00 H new ATOM 324 N LYS A 23 12.261 4.669 -3.336 1.00 0.00 N ATOM 325 CA LYS A 23 13.413 5.303 -2.717 1.00 0.00 C ATOM 326 C LYS A 23 13.156 5.471 -1.229 1.00 0.00 C ATOM 327 O LYS A 23 13.980 5.082 -0.400 1.00 0.00 O ATOM 328 CB LYS A 23 13.706 6.658 -3.362 1.00 0.00 C ATOM 329 CG LYS A 23 12.499 7.576 -3.433 1.00 0.00 C ATOM 330 CD LYS A 23 12.860 8.924 -4.038 1.00 0.00 C ATOM 331 CE LYS A 23 12.280 10.071 -3.228 1.00 0.00 C ATOM 332 NZ LYS A 23 13.282 10.652 -2.293 1.00 0.00 N ATOM 0 H LYS A 23 11.863 5.184 -4.122 1.00 0.00 H new ATOM 0 HA LYS A 23 14.286 4.668 -2.866 1.00 0.00 H new ATOM 0 HB2 LYS A 23 14.496 7.155 -2.799 1.00 0.00 H new ATOM 0 HB3 LYS A 23 14.087 6.495 -4.370 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.717 7.106 -4.030 1.00 0.00 H new ATOM 0 HG3 LYS A 23 12.092 7.722 -2.432 1.00 0.00 H new ATOM 0 HD2 LYS A 23 13.944 9.023 -4.087 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.489 8.976 -5.062 1.00 0.00 H new ATOM 0 HE2 LYS A 23 11.921 10.847 -3.904 1.00 0.00 H new ATOM 0 HE3 LYS A 23 11.418 9.717 -2.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 12.847 11.431 -1.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.606 9.918 -1.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 14.093 11.013 -2.834 1.00 0.00 H new ATOM 346 N LEU A 24 11.994 6.027 -0.889 1.00 0.00 N ATOM 347 CA LEU A 24 11.638 6.205 0.512 1.00 0.00 C ATOM 348 C LEU A 24 11.659 4.858 1.215 1.00 0.00 C ATOM 349 O LEU A 24 12.251 4.711 2.284 1.00 0.00 O ATOM 350 CB LEU A 24 10.257 6.845 0.662 1.00 0.00 C ATOM 351 CG LEU A 24 9.246 6.484 -0.425 1.00 0.00 C ATOM 352 CD1 LEU A 24 8.276 5.413 0.068 1.00 0.00 C ATOM 353 CD2 LEU A 24 8.500 7.735 -0.867 1.00 0.00 C ATOM 0 H LEU A 24 11.295 6.356 -1.555 1.00 0.00 H new ATOM 0 HA LEU A 24 12.369 6.874 0.967 1.00 0.00 H new ATOM 0 HB2 LEU A 24 9.844 6.556 1.629 1.00 0.00 H new ATOM 0 HB3 LEU A 24 10.377 7.928 0.678 1.00 0.00 H new ATOM 0 HG LEU A 24 9.780 6.073 -1.282 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.566 5.173 -0.724 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.832 4.516 0.341 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.736 5.784 0.939 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.780 7.474 -1.642 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.975 8.166 -0.014 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.210 8.462 -1.261 1.00 0.00 H new ATOM 365 N LEU A 25 11.022 3.867 0.595 1.00 0.00 N ATOM 366 CA LEU A 25 10.987 2.526 1.159 1.00 0.00 C ATOM 367 C LEU A 25 12.403 2.012 1.368 1.00 0.00 C ATOM 368 O LEU A 25 12.746 1.535 2.448 1.00 0.00 O ATOM 369 CB LEU A 25 10.221 1.572 0.245 1.00 0.00 C ATOM 370 CG LEU A 25 8.700 1.653 0.346 1.00 0.00 C ATOM 371 CD1 LEU A 25 8.082 1.616 -1.043 1.00 0.00 C ATOM 372 CD2 LEU A 25 8.157 0.519 1.210 1.00 0.00 C ATOM 0 H LEU A 25 10.528 3.969 -0.291 1.00 0.00 H new ATOM 0 HA LEU A 25 10.474 2.573 2.119 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.511 1.772 -0.786 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.530 0.552 0.471 1.00 0.00 H new ATOM 0 HG LEU A 25 8.431 2.596 0.821 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.997 1.674 -0.960 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.447 2.461 -1.626 1.00 0.00 H new ATOM 0 HD13 LEU A 25 8.358 0.686 -1.540 1.00 0.00 H new ATOM 0 HD21 LEU A 25 7.071 0.595 1.269 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.430 -0.439 0.767 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.581 0.590 2.212 1.00 0.00 H new ATOM 384 N LEU A 26 13.229 2.115 0.328 1.00 0.00 N ATOM 385 CA LEU A 26 14.611 1.657 0.425 1.00 0.00 C ATOM 386 C LEU A 26 15.382 2.481 1.450 1.00 0.00 C ATOM 387 O LEU A 26 16.229 1.956 2.172 1.00 0.00 O ATOM 388 CB LEU A 26 15.314 1.735 -0.929 1.00 0.00 C ATOM 389 CG LEU A 26 16.687 1.062 -0.965 1.00 0.00 C ATOM 390 CD1 LEU A 26 16.769 0.065 -2.106 1.00 0.00 C ATOM 391 CD2 LEU A 26 17.788 2.104 -1.082 1.00 0.00 C ATOM 0 H LEU A 26 12.970 2.506 -0.578 1.00 0.00 H new ATOM 0 HA LEU A 26 14.589 0.616 0.747 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.676 1.274 -1.683 1.00 0.00 H new ATOM 0 HB3 LEU A 26 15.429 2.783 -1.206 1.00 0.00 H new ATOM 0 HG LEU A 26 16.826 0.519 -0.030 1.00 0.00 H new ATOM 0 HD11 LEU A 26 17.754 -0.401 -2.112 1.00 0.00 H new ATOM 0 HD12 LEU A 26 16.006 -0.702 -1.975 1.00 0.00 H new ATOM 0 HD13 LEU A 26 16.606 0.581 -3.052 1.00 0.00 H new ATOM 0 HD21 LEU A 26 18.758 1.607 -1.106 1.00 0.00 H new ATOM 0 HD22 LEU A 26 17.651 2.677 -1.999 1.00 0.00 H new ATOM 0 HD23 LEU A 26 17.746 2.776 -0.225 1.00 0.00 H new ATOM 403 N ASP A 27 15.083 3.773 1.506 1.00 0.00 N ATOM 404 CA ASP A 27 15.748 4.671 2.443 1.00 0.00 C ATOM 405 C ASP A 27 15.406 4.299 3.880 1.00 0.00 C ATOM 406 O ASP A 27 16.153 4.609 4.808 1.00 0.00 O ATOM 407 CB ASP A 27 15.344 6.120 2.167 1.00 0.00 C ATOM 408 CG ASP A 27 14.552 6.726 3.309 1.00 0.00 C ATOM 409 OD1 ASP A 27 15.075 6.759 4.442 1.00 0.00 O ATOM 410 OD2 ASP A 27 13.408 7.168 3.069 1.00 0.00 O ATOM 0 H ASP A 27 14.385 4.223 0.914 1.00 0.00 H new ATOM 0 HA ASP A 27 16.825 4.571 2.306 1.00 0.00 H new ATOM 0 HB2 ASP A 27 16.239 6.717 1.992 1.00 0.00 H new ATOM 0 HB3 ASP A 27 14.750 6.161 1.254 1.00 0.00 H new ATOM 415 N THR A 28 14.269 3.635 4.055 1.00 0.00 N ATOM 416 CA THR A 28 13.822 3.220 5.378 1.00 0.00 C ATOM 417 C THR A 28 14.456 1.890 5.778 1.00 0.00 C ATOM 418 O THR A 28 15.084 1.783 6.831 1.00 0.00 O ATOM 419 CB THR A 28 12.299 3.109 5.405 1.00 0.00 C ATOM 420 OG1 THR A 28 11.785 3.568 6.641 1.00 0.00 O ATOM 421 CG2 THR A 28 11.794 1.700 5.188 1.00 0.00 C ATOM 0 H THR A 28 13.640 3.373 3.296 1.00 0.00 H new ATOM 0 HA THR A 28 14.137 3.975 6.098 1.00 0.00 H new ATOM 0 HB THR A 28 11.951 3.729 4.579 1.00 0.00 H new ATOM 0 HG1 THR A 28 11.074 4.222 6.477 1.00 0.00 H new ATOM 0 HG21 THR A 28 10.704 1.695 5.220 1.00 0.00 H new ATOM 0 HG22 THR A 28 12.130 1.339 4.216 1.00 0.00 H new ATOM 0 HG23 THR A 28 12.183 1.049 5.972 1.00 0.00 H new ATOM 429 N GLY A 29 14.295 0.882 4.926 1.00 0.00 N ATOM 430 CA GLY A 29 14.868 -0.423 5.209 1.00 0.00 C ATOM 431 C GLY A 29 13.984 -1.278 6.095 1.00 0.00 C ATOM 432 O GLY A 29 14.234 -1.404 7.293 1.00 0.00 O ATOM 0 H GLY A 29 13.780 0.944 4.048 1.00 0.00 H new ATOM 0 HA2 GLY A 29 15.047 -0.947 4.270 1.00 0.00 H new ATOM 0 HA3 GLY A 29 15.837 -0.292 5.690 1.00 0.00 H new ATOM 436 N LYS A 30 12.949 -1.870 5.507 1.00 0.00 N ATOM 437 CA LYS A 30 12.030 -2.720 6.255 1.00 0.00 C ATOM 438 C LYS A 30 11.628 -3.945 5.450 1.00 0.00 C ATOM 439 O LYS A 30 11.339 -3.845 4.258 1.00 0.00 O ATOM 440 CB LYS A 30 10.768 -1.950 6.628 1.00 0.00 C ATOM 441 CG LYS A 30 11.054 -0.625 7.291 1.00 0.00 C ATOM 442 CD LYS A 30 10.015 0.418 6.921 1.00 0.00 C ATOM 443 CE LYS A 30 10.406 1.803 7.412 1.00 0.00 C ATOM 444 NZ LYS A 30 9.627 2.211 8.614 1.00 0.00 N ATOM 0 H LYS A 30 12.726 -1.777 4.516 1.00 0.00 H new ATOM 0 HA LYS A 30 12.552 -3.039 7.157 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.176 -1.779 5.729 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.162 -2.561 7.297 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.072 -0.755 8.373 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.043 -0.275 6.996 1.00 0.00 H new ATOM 0 HD2 LYS A 30 9.890 0.438 5.838 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.052 0.139 7.348 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.470 1.817 7.648 1.00 0.00 H new ATOM 0 HE3 LYS A 30 10.247 2.528 6.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 9.160 3.122 8.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.908 1.489 8.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 10.268 2.307 9.427 1.00 0.00 H new ATOM 458 N GLU A 31 11.573 -5.094 6.111 1.00 0.00 N ATOM 459 CA GLU A 31 11.160 -6.313 5.439 1.00 0.00 C ATOM 460 C GLU A 31 9.679 -6.204 5.108 1.00 0.00 C ATOM 461 O GLU A 31 8.830 -6.252 5.997 1.00 0.00 O ATOM 462 CB GLU A 31 11.421 -7.533 6.323 1.00 0.00 C ATOM 463 CG GLU A 31 10.614 -8.758 5.923 1.00 0.00 C ATOM 464 CD GLU A 31 11.117 -10.028 6.582 1.00 0.00 C ATOM 465 OE1 GLU A 31 12.209 -10.499 6.205 1.00 0.00 O ATOM 466 OE2 GLU A 31 10.417 -10.549 7.476 1.00 0.00 O ATOM 0 H GLU A 31 11.806 -5.205 7.098 1.00 0.00 H new ATOM 0 HA GLU A 31 11.737 -6.439 4.523 1.00 0.00 H new ATOM 0 HB2 GLU A 31 12.482 -7.779 6.285 1.00 0.00 H new ATOM 0 HB3 GLU A 31 11.190 -7.278 7.357 1.00 0.00 H new ATOM 0 HG2 GLU A 31 9.569 -8.603 6.191 1.00 0.00 H new ATOM 0 HG3 GLU A 31 10.651 -8.876 4.840 1.00 0.00 H new ATOM 473 N GLY A 32 9.375 -6.035 3.829 1.00 0.00 N ATOM 474 CA GLY A 32 7.997 -5.896 3.417 1.00 0.00 C ATOM 475 C GLY A 32 7.421 -4.544 3.801 1.00 0.00 C ATOM 476 O GLY A 32 6.222 -4.426 4.052 1.00 0.00 O ATOM 0 H GLY A 32 10.058 -5.992 3.072 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.927 -6.026 2.337 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.401 -6.687 3.873 1.00 0.00 H new ATOM 480 N ALA A 33 8.274 -3.517 3.841 1.00 0.00 N ATOM 481 CA ALA A 33 7.827 -2.180 4.190 1.00 0.00 C ATOM 482 C ALA A 33 6.630 -1.801 3.349 1.00 0.00 C ATOM 483 O ALA A 33 6.632 -1.981 2.129 1.00 0.00 O ATOM 484 CB ALA A 33 8.945 -1.173 4.024 1.00 0.00 C ATOM 0 H ALA A 33 9.270 -3.592 3.636 1.00 0.00 H new ATOM 0 HA ALA A 33 7.533 -2.175 5.239 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.583 -0.180 4.292 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.778 -1.443 4.673 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.280 -1.169 2.987 1.00 0.00 H new ATOM 490 N PHE A 34 5.601 -1.305 4.017 1.00 0.00 N ATOM 491 CA PHE A 34 4.367 -0.930 3.346 1.00 0.00 C ATOM 492 C PHE A 34 4.039 0.539 3.498 1.00 0.00 C ATOM 493 O PHE A 34 4.105 1.094 4.585 1.00 0.00 O ATOM 494 CB PHE A 34 3.205 -1.726 3.909 1.00 0.00 C ATOM 495 CG PHE A 34 1.888 -1.044 3.653 1.00 0.00 C ATOM 496 CD1 PHE A 34 1.435 -0.890 2.360 1.00 0.00 C ATOM 497 CD2 PHE A 34 1.110 -0.545 4.684 1.00 0.00 C ATOM 498 CE1 PHE A 34 0.240 -0.253 2.097 1.00 0.00 C ATOM 499 CE2 PHE A 34 -0.070 0.086 4.424 1.00 0.00 C ATOM 500 CZ PHE A 34 -0.510 0.238 3.134 1.00 0.00 C ATOM 0 H PHE A 34 5.596 -1.153 5.026 1.00 0.00 H new ATOM 0 HA PHE A 34 4.519 -1.144 2.288 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.193 -2.720 3.461 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.342 -1.861 4.982 1.00 0.00 H new ATOM 0 HD1 PHE A 34 2.025 -1.274 1.541 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.442 -0.657 5.706 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -0.103 -0.142 1.079 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.663 0.469 5.241 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.444 0.743 2.936 1.00 0.00 H new ATOM 510 N MET A 35 3.628 1.158 2.410 1.00 0.00 N ATOM 511 CA MET A 35 3.235 2.551 2.456 1.00 0.00 C ATOM 512 C MET A 35 2.363 2.893 1.259 1.00 0.00 C ATOM 513 O MET A 35 2.676 2.547 0.124 1.00 0.00 O ATOM 514 CB MET A 35 4.449 3.459 2.572 1.00 0.00 C ATOM 515 CG MET A 35 5.466 3.290 1.476 1.00 0.00 C ATOM 516 SD MET A 35 7.050 3.950 1.976 1.00 0.00 S ATOM 517 CE MET A 35 6.521 5.630 2.237 1.00 0.00 C ATOM 0 H MET A 35 3.558 0.723 1.490 1.00 0.00 H new ATOM 0 HA MET A 35 2.637 2.719 3.352 1.00 0.00 H new ATOM 0 HB2 MET A 35 4.111 4.495 2.580 1.00 0.00 H new ATOM 0 HB3 MET A 35 4.934 3.275 3.531 1.00 0.00 H new ATOM 0 HG2 MET A 35 5.569 2.234 1.228 1.00 0.00 H new ATOM 0 HG3 MET A 35 5.124 3.797 0.574 1.00 0.00 H new ATOM 0 HE1 MET A 35 7.345 6.309 2.018 1.00 0.00 H new ATOM 0 HE2 MET A 35 5.681 5.853 1.579 1.00 0.00 H new ATOM 0 HE3 MET A 35 6.212 5.757 3.275 1.00 0.00 H new ATOM 527 N VAL A 36 1.238 3.532 1.542 1.00 0.00 N ATOM 528 CA VAL A 36 0.257 3.877 0.516 1.00 0.00 C ATOM 529 C VAL A 36 0.446 5.269 -0.052 1.00 0.00 C ATOM 530 O VAL A 36 0.941 6.171 0.616 1.00 0.00 O ATOM 531 CB VAL A 36 -1.174 3.753 1.061 1.00 0.00 C ATOM 532 CG1 VAL A 36 -2.197 4.151 0.007 1.00 0.00 C ATOM 533 CG2 VAL A 36 -1.418 2.337 1.547 1.00 0.00 C ATOM 0 H VAL A 36 0.977 3.826 2.483 1.00 0.00 H new ATOM 0 HA VAL A 36 0.417 3.164 -0.293 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.288 4.437 1.902 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.201 4.054 0.420 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.027 5.185 -0.293 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.097 3.500 -0.861 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.434 2.255 1.932 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.286 1.640 0.719 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.709 2.097 2.339 1.00 0.00 H new ATOM 543 N ARG A 37 0.040 5.427 -1.304 1.00 0.00 N ATOM 544 CA ARG A 37 0.151 6.700 -1.989 1.00 0.00 C ATOM 545 C ARG A 37 -1.124 7.016 -2.762 1.00 0.00 C ATOM 546 O ARG A 37 -1.644 6.175 -3.495 1.00 0.00 O ATOM 547 CB ARG A 37 1.352 6.672 -2.925 1.00 0.00 C ATOM 548 CG ARG A 37 0.995 6.574 -4.397 1.00 0.00 C ATOM 549 CD ARG A 37 1.867 5.547 -5.096 1.00 0.00 C ATOM 550 NE ARG A 37 1.795 5.665 -6.550 1.00 0.00 N ATOM 551 CZ ARG A 37 2.369 4.809 -7.387 1.00 0.00 C ATOM 552 NH1 ARG A 37 3.062 3.781 -6.917 1.00 0.00 N ATOM 553 NH2 ARG A 37 2.249 4.980 -8.697 1.00 0.00 N ATOM 0 H ARG A 37 -0.371 4.682 -1.866 1.00 0.00 H new ATOM 0 HA ARG A 37 0.293 7.487 -1.248 1.00 0.00 H new ATOM 0 HB2 ARG A 37 1.943 7.574 -2.766 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.985 5.825 -2.660 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.054 6.300 -4.504 1.00 0.00 H new ATOM 0 HG3 ARG A 37 1.120 7.547 -4.872 1.00 0.00 H new ATOM 0 HD2 ARG A 37 2.901 5.670 -4.773 1.00 0.00 H new ATOM 0 HD3 ARG A 37 1.557 4.545 -4.798 1.00 0.00 H new ATOM 0 HE ARG A 37 1.275 6.449 -6.944 1.00 0.00 H new ATOM 0 HH11 ARG A 37 3.155 3.646 -5.910 1.00 0.00 H new ATOM 0 HH12 ARG A 37 3.502 3.125 -7.562 1.00 0.00 H new ATOM 0 HH21 ARG A 37 1.716 5.769 -9.062 1.00 0.00 H new ATOM 0 HH22 ARG A 37 2.690 4.322 -9.340 1.00 0.00 H new ATOM 567 N ASP A 38 -1.626 8.232 -2.584 1.00 0.00 N ATOM 568 CA ASP A 38 -2.846 8.657 -3.257 1.00 0.00 C ATOM 569 C ASP A 38 -2.691 8.577 -4.770 1.00 0.00 C ATOM 570 O ASP A 38 -1.598 8.763 -5.305 1.00 0.00 O ATOM 571 CB ASP A 38 -3.215 10.082 -2.841 1.00 0.00 C ATOM 572 CG ASP A 38 -4.390 10.628 -3.630 1.00 0.00 C ATOM 573 OD1 ASP A 38 -5.345 9.863 -3.878 1.00 0.00 O ATOM 574 OD2 ASP A 38 -4.354 11.821 -3.999 1.00 0.00 O ATOM 0 H ASP A 38 -1.208 8.940 -1.980 1.00 0.00 H new ATOM 0 HA ASP A 38 -3.648 7.982 -2.959 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -3.456 10.097 -1.778 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -2.352 10.734 -2.981 1.00 0.00 H new ATOM 579 N SER A 39 -3.794 8.293 -5.453 1.00 0.00 N ATOM 580 CA SER A 39 -3.785 8.178 -6.905 1.00 0.00 C ATOM 581 C SER A 39 -5.138 8.562 -7.491 1.00 0.00 C ATOM 582 O SER A 39 -5.795 7.747 -8.138 1.00 0.00 O ATOM 583 CB SER A 39 -3.434 6.750 -7.312 1.00 0.00 C ATOM 584 OG SER A 39 -2.251 6.716 -8.092 1.00 0.00 O ATOM 0 H SER A 39 -4.706 8.138 -5.023 1.00 0.00 H new ATOM 0 HA SER A 39 -3.033 8.863 -7.296 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.303 6.137 -6.421 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.259 6.317 -7.878 1.00 0.00 H new ATOM 0 HG SER A 39 -1.959 5.787 -8.204 1.00 0.00 H new ATOM 590 N ARG A 40 -5.551 9.803 -7.261 1.00 0.00 N ATOM 591 CA ARG A 40 -6.831 10.283 -7.770 1.00 0.00 C ATOM 592 C ARG A 40 -7.727 9.111 -8.153 1.00 0.00 C ATOM 593 O ARG A 40 -8.530 8.643 -7.346 1.00 0.00 O ATOM 594 CB ARG A 40 -6.614 11.193 -8.981 1.00 0.00 C ATOM 595 CG ARG A 40 -5.897 12.491 -8.645 1.00 0.00 C ATOM 596 CD ARG A 40 -6.667 13.304 -7.617 1.00 0.00 C ATOM 597 NE ARG A 40 -6.274 14.710 -7.627 1.00 0.00 N ATOM 598 CZ ARG A 40 -6.544 15.544 -8.626 1.00 0.00 C ATOM 599 NH1 ARG A 40 -7.204 15.112 -9.693 1.00 0.00 N ATOM 600 NH2 ARG A 40 -6.153 16.809 -8.561 1.00 0.00 N ATOM 0 H ARG A 40 -5.021 10.493 -6.728 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.321 10.855 -6.982 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -6.038 10.653 -9.732 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -7.580 11.426 -9.428 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.901 12.269 -8.262 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.766 13.081 -9.552 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -7.735 13.225 -7.818 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.498 12.887 -6.624 1.00 0.00 H new ATOM 0 HE ARG A 40 -5.763 15.073 -6.822 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -7.505 14.139 -9.747 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -7.411 15.753 -10.459 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -5.644 17.144 -7.743 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -6.361 17.447 -9.329 1.00 0.00 H new ATOM 614 N THR A 41 -7.576 8.635 -9.386 1.00 0.00 N ATOM 615 CA THR A 41 -8.365 7.512 -9.876 1.00 0.00 C ATOM 616 C THR A 41 -9.754 7.516 -9.245 1.00 0.00 C ATOM 617 O THR A 41 -10.162 8.507 -8.639 1.00 0.00 O ATOM 618 CB THR A 41 -7.638 6.199 -9.571 1.00 0.00 C ATOM 619 OG1 THR A 41 -7.832 5.262 -10.616 1.00 0.00 O ATOM 620 CG2 THR A 41 -8.079 5.549 -8.276 1.00 0.00 C ATOM 0 H THR A 41 -6.913 9.011 -10.064 1.00 0.00 H new ATOM 0 HA THR A 41 -8.485 7.608 -10.955 1.00 0.00 H new ATOM 0 HB THR A 41 -6.587 6.470 -9.476 1.00 0.00 H new ATOM 0 HG1 THR A 41 -7.497 4.385 -10.335 1.00 0.00 H new ATOM 0 HG21 THR A 41 -7.522 4.624 -8.125 1.00 0.00 H new ATOM 0 HG22 THR A 41 -7.888 6.228 -7.445 1.00 0.00 H new ATOM 0 HG23 THR A 41 -9.145 5.327 -8.325 1.00 0.00 H new ATOM 628 N PRO A 42 -10.507 6.413 -9.376 1.00 0.00 N ATOM 629 CA PRO A 42 -11.853 6.313 -8.810 1.00 0.00 C ATOM 630 C PRO A 42 -11.925 6.827 -7.374 1.00 0.00 C ATOM 631 O PRO A 42 -13.003 6.877 -6.781 1.00 0.00 O ATOM 632 CB PRO A 42 -12.137 4.813 -8.863 1.00 0.00 C ATOM 633 CG PRO A 42 -11.362 4.335 -10.041 1.00 0.00 C ATOM 634 CD PRO A 42 -10.115 5.180 -10.088 1.00 0.00 C ATOM 0 HA PRO A 42 -12.575 6.920 -9.356 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -11.818 4.315 -7.948 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -13.202 4.613 -8.980 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -11.114 3.278 -9.942 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -11.941 4.442 -10.958 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -9.276 4.684 -9.600 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -9.810 5.388 -11.113 1.00 0.00 H new ATOM 642 N GLY A 43 -10.778 7.215 -6.817 1.00 0.00 N ATOM 643 CA GLY A 43 -10.756 7.723 -5.458 1.00 0.00 C ATOM 644 C GLY A 43 -10.033 6.806 -4.495 1.00 0.00 C ATOM 645 O GLY A 43 -10.206 6.910 -3.281 1.00 0.00 O ATOM 0 H GLY A 43 -9.870 7.186 -7.281 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.275 8.701 -5.450 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.780 7.868 -5.114 1.00 0.00 H new ATOM 649 N THR A 44 -9.236 5.896 -5.036 1.00 0.00 N ATOM 650 CA THR A 44 -8.502 4.945 -4.210 1.00 0.00 C ATOM 651 C THR A 44 -7.120 5.462 -3.833 1.00 0.00 C ATOM 652 O THR A 44 -6.795 6.631 -4.041 1.00 0.00 O ATOM 653 CB THR A 44 -8.350 3.615 -4.940 1.00 0.00 C ATOM 654 OG1 THR A 44 -7.080 3.046 -4.675 1.00 0.00 O ATOM 655 CG2 THR A 44 -8.490 3.731 -6.441 1.00 0.00 C ATOM 0 H THR A 44 -9.081 5.795 -6.039 1.00 0.00 H new ATOM 0 HA THR A 44 -9.079 4.808 -3.296 1.00 0.00 H new ATOM 0 HB THR A 44 -9.158 2.987 -4.565 1.00 0.00 H new ATOM 0 HG1 THR A 44 -7.019 2.168 -5.106 1.00 0.00 H new ATOM 0 HG21 THR A 44 -8.371 2.747 -6.895 1.00 0.00 H new ATOM 0 HG22 THR A 44 -9.476 4.126 -6.685 1.00 0.00 H new ATOM 0 HG23 THR A 44 -7.724 4.404 -6.827 1.00 0.00 H new ATOM 663 N TYR A 45 -6.316 4.561 -3.280 1.00 0.00 N ATOM 664 CA TYR A 45 -4.960 4.880 -2.868 1.00 0.00 C ATOM 665 C TYR A 45 -3.989 3.799 -3.330 1.00 0.00 C ATOM 666 O TYR A 45 -4.391 2.671 -3.629 1.00 0.00 O ATOM 667 CB TYR A 45 -4.887 5.040 -1.352 1.00 0.00 C ATOM 668 CG TYR A 45 -5.948 5.956 -0.799 1.00 0.00 C ATOM 669 CD1 TYR A 45 -7.275 5.558 -0.768 1.00 0.00 C ATOM 670 CD2 TYR A 45 -5.628 7.218 -0.316 1.00 0.00 C ATOM 671 CE1 TYR A 45 -8.258 6.388 -0.270 1.00 0.00 C ATOM 672 CE2 TYR A 45 -6.605 8.056 0.185 1.00 0.00 C ATOM 673 CZ TYR A 45 -7.920 7.637 0.205 1.00 0.00 C ATOM 674 OH TYR A 45 -8.896 8.468 0.704 1.00 0.00 O ATOM 0 H TYR A 45 -6.587 3.593 -3.106 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.675 5.823 -3.334 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -4.983 4.060 -0.885 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -3.905 5.427 -1.081 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -7.544 4.581 -1.140 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -4.600 7.549 -0.332 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -9.287 6.061 -0.252 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -6.341 9.034 0.559 1.00 0.00 H new ATOM 0 HH TYR A 45 -8.490 9.310 0.998 1.00 0.00 H new ATOM 684 N THR A 46 -2.711 4.150 -3.398 1.00 0.00 N ATOM 685 CA THR A 46 -1.681 3.214 -3.831 1.00 0.00 C ATOM 686 C THR A 46 -0.925 2.649 -2.632 1.00 0.00 C ATOM 687 O THR A 46 -0.756 3.331 -1.626 1.00 0.00 O ATOM 688 CB THR A 46 -0.712 3.908 -4.781 1.00 0.00 C ATOM 689 OG1 THR A 46 -1.416 4.652 -5.760 1.00 0.00 O ATOM 690 CG2 THR A 46 0.197 2.942 -5.503 1.00 0.00 C ATOM 0 H THR A 46 -2.362 5.078 -3.158 1.00 0.00 H new ATOM 0 HA THR A 46 -2.163 2.388 -4.353 1.00 0.00 H new ATOM 0 HB THR A 46 -0.104 4.561 -4.155 1.00 0.00 H new ATOM 0 HG1 THR A 46 -1.744 5.486 -5.364 1.00 0.00 H new ATOM 0 HG21 THR A 46 0.864 3.495 -6.165 1.00 0.00 H new ATOM 0 HG22 THR A 46 0.788 2.385 -4.775 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.403 2.248 -6.091 1.00 0.00 H new ATOM 698 N VAL A 47 -0.477 1.398 -2.739 1.00 0.00 N ATOM 699 CA VAL A 47 0.253 0.758 -1.649 1.00 0.00 C ATOM 700 C VAL A 47 1.678 0.395 -2.055 1.00 0.00 C ATOM 701 O VAL A 47 1.892 -0.475 -2.899 1.00 0.00 O ATOM 702 CB VAL A 47 -0.457 -0.524 -1.166 1.00 0.00 C ATOM 703 CG1 VAL A 47 0.465 -1.340 -0.269 1.00 0.00 C ATOM 704 CG2 VAL A 47 -1.754 -0.184 -0.445 1.00 0.00 C ATOM 0 H VAL A 47 -0.606 0.812 -3.564 1.00 0.00 H new ATOM 0 HA VAL A 47 0.283 1.487 -0.839 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.706 -1.128 -2.039 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.053 -2.240 0.062 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.360 -1.620 -0.825 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.749 -0.745 0.599 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.238 -1.103 -0.113 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.536 0.444 0.419 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.418 0.351 -1.124 1.00 0.00 H new ATOM 714 N SER A 48 2.652 1.043 -1.422 1.00 0.00 N ATOM 715 CA SER A 48 4.057 0.760 -1.691 1.00 0.00 C ATOM 716 C SER A 48 4.560 -0.281 -0.701 1.00 0.00 C ATOM 717 O SER A 48 4.509 -0.068 0.514 1.00 0.00 O ATOM 718 CB SER A 48 4.928 2.025 -1.587 1.00 0.00 C ATOM 719 OG SER A 48 5.801 1.950 -0.474 1.00 0.00 O ATOM 0 H SER A 48 2.494 1.766 -0.720 1.00 0.00 H new ATOM 0 HA SER A 48 4.133 0.385 -2.712 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.508 2.147 -2.501 1.00 0.00 H new ATOM 0 HB3 SER A 48 4.290 2.904 -1.495 1.00 0.00 H new ATOM 0 HG SER A 48 6.367 2.750 -0.448 1.00 0.00 H new ATOM 725 N VAL A 49 5.035 -1.406 -1.218 1.00 0.00 N ATOM 726 CA VAL A 49 5.539 -2.479 -0.371 1.00 0.00 C ATOM 727 C VAL A 49 6.949 -2.883 -0.789 1.00 0.00 C ATOM 728 O VAL A 49 7.153 -3.379 -1.896 1.00 0.00 O ATOM 729 CB VAL A 49 4.621 -3.713 -0.432 1.00 0.00 C ATOM 730 CG1 VAL A 49 3.160 -3.291 -0.378 1.00 0.00 C ATOM 731 CG2 VAL A 49 4.901 -4.524 -1.687 1.00 0.00 C ATOM 0 H VAL A 49 5.082 -1.599 -2.218 1.00 0.00 H new ATOM 0 HA VAL A 49 5.559 -2.102 0.651 1.00 0.00 H new ATOM 0 HB VAL A 49 4.828 -4.342 0.434 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.524 -4.175 -0.422 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.971 -2.754 0.551 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.937 -2.641 -1.224 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.243 -5.392 -1.713 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.722 -3.906 -2.567 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.939 -4.856 -1.682 1.00 0.00 H new ATOM 741 N PHE A 50 7.926 -2.665 0.092 1.00 0.00 N ATOM 742 CA PHE A 50 9.309 -3.016 -0.231 1.00 0.00 C ATOM 743 C PHE A 50 9.951 -3.881 0.851 1.00 0.00 C ATOM 744 O PHE A 50 9.686 -3.716 2.050 1.00 0.00 O ATOM 745 CB PHE A 50 10.149 -1.758 -0.487 1.00 0.00 C ATOM 746 CG PHE A 50 11.144 -1.447 0.597 1.00 0.00 C ATOM 747 CD1 PHE A 50 10.714 -1.210 1.888 1.00 0.00 C ATOM 748 CD2 PHE A 50 12.507 -1.378 0.324 1.00 0.00 C ATOM 749 CE1 PHE A 50 11.615 -0.911 2.892 1.00 0.00 C ATOM 750 CE2 PHE A 50 13.411 -1.082 1.326 1.00 0.00 C ATOM 751 CZ PHE A 50 12.963 -0.848 2.611 1.00 0.00 C ATOM 0 H PHE A 50 7.791 -2.256 1.016 1.00 0.00 H new ATOM 0 HA PHE A 50 9.282 -3.608 -1.146 1.00 0.00 H new ATOM 0 HB2 PHE A 50 10.682 -1.877 -1.430 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.479 -0.906 -0.605 1.00 0.00 H new ATOM 0 HD1 PHE A 50 9.659 -1.259 2.116 1.00 0.00 H new ATOM 0 HD2 PHE A 50 12.861 -1.557 -0.680 1.00 0.00 H new ATOM 0 HE1 PHE A 50 11.263 -0.727 3.896 1.00 0.00 H new ATOM 0 HE2 PHE A 50 14.467 -1.034 1.104 1.00 0.00 H new ATOM 0 HZ PHE A 50 13.668 -0.616 3.395 1.00 0.00 H new ATOM 761 N THR A 51 10.794 -4.812 0.405 1.00 0.00 N ATOM 762 CA THR A 51 11.489 -5.727 1.300 1.00 0.00 C ATOM 763 C THR A 51 12.937 -5.917 0.872 1.00 0.00 C ATOM 764 O THR A 51 13.221 -6.668 -0.062 1.00 0.00 O ATOM 765 CB THR A 51 10.792 -7.085 1.302 1.00 0.00 C ATOM 766 OG1 THR A 51 9.525 -7.009 1.926 1.00 0.00 O ATOM 767 CG2 THR A 51 11.589 -8.164 2.000 1.00 0.00 C ATOM 0 H THR A 51 11.011 -4.950 -0.582 1.00 0.00 H new ATOM 0 HA THR A 51 11.469 -5.295 2.301 1.00 0.00 H new ATOM 0 HB THR A 51 10.689 -7.353 0.250 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.823 -6.999 1.242 1.00 0.00 H new ATOM 0 HG21 THR A 51 11.037 -9.104 1.966 1.00 0.00 H new ATOM 0 HG22 THR A 51 12.549 -8.288 1.499 1.00 0.00 H new ATOM 0 HG23 THR A 51 11.756 -7.879 3.039 1.00 0.00 H new ATOM 775 N LYS A 52 13.853 -5.252 1.563 1.00 0.00 N ATOM 776 CA LYS A 52 15.263 -5.377 1.247 1.00 0.00 C ATOM 777 C LYS A 52 15.560 -6.755 0.656 1.00 0.00 C ATOM 778 O LYS A 52 15.563 -7.764 1.360 1.00 0.00 O ATOM 779 CB LYS A 52 16.112 -5.151 2.498 1.00 0.00 C ATOM 780 CG LYS A 52 15.292 -4.992 3.769 1.00 0.00 C ATOM 781 CD LYS A 52 16.030 -5.541 4.980 1.00 0.00 C ATOM 782 CE LYS A 52 16.971 -4.505 5.574 1.00 0.00 C ATOM 783 NZ LYS A 52 16.441 -3.937 6.845 1.00 0.00 N ATOM 0 H LYS A 52 13.644 -4.625 2.340 1.00 0.00 H new ATOM 0 HA LYS A 52 15.516 -4.617 0.508 1.00 0.00 H new ATOM 0 HB2 LYS A 52 16.796 -5.991 2.619 1.00 0.00 H new ATOM 0 HB3 LYS A 52 16.723 -4.260 2.356 1.00 0.00 H new ATOM 0 HG2 LYS A 52 15.065 -3.938 3.927 1.00 0.00 H new ATOM 0 HG3 LYS A 52 14.340 -5.510 3.656 1.00 0.00 H new ATOM 0 HD2 LYS A 52 15.310 -5.855 5.735 1.00 0.00 H new ATOM 0 HD3 LYS A 52 16.597 -6.426 4.692 1.00 0.00 H new ATOM 0 HE2 LYS A 52 17.944 -4.961 5.758 1.00 0.00 H new ATOM 0 HE3 LYS A 52 17.127 -3.701 4.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 17.112 -3.235 7.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 15.525 -3.479 6.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 16.316 -4.700 7.541 1.00 0.00 H new ATOM 797 N ALA A 53 15.821 -6.771 -0.648 1.00 0.00 N ATOM 798 CA ALA A 53 16.134 -8.005 -1.353 1.00 0.00 C ATOM 799 C ALA A 53 16.275 -7.776 -2.855 1.00 0.00 C ATOM 800 O ALA A 53 15.956 -6.703 -3.364 1.00 0.00 O ATOM 801 CB ALA A 53 15.063 -9.049 -1.076 1.00 0.00 C ATOM 0 H ALA A 53 15.821 -5.939 -1.238 1.00 0.00 H new ATOM 0 HA ALA A 53 17.094 -8.367 -0.984 1.00 0.00 H new ATOM 0 HB1 ALA A 53 15.306 -9.969 -1.608 1.00 0.00 H new ATOM 0 HB2 ALA A 53 15.019 -9.249 -0.006 1.00 0.00 H new ATOM 0 HB3 ALA A 53 14.096 -8.678 -1.416 1.00 0.00 H new ATOM 807 N ILE A 54 16.756 -8.801 -3.556 1.00 0.00 N ATOM 808 CA ILE A 54 16.944 -8.729 -5.001 1.00 0.00 C ATOM 809 C ILE A 54 18.423 -8.716 -5.369 1.00 0.00 C ATOM 810 O ILE A 54 19.213 -7.976 -4.783 1.00 0.00 O ATOM 811 CB ILE A 54 16.271 -7.480 -5.601 1.00 0.00 C ATOM 812 CG1 ILE A 54 14.774 -7.485 -5.296 1.00 0.00 C ATOM 813 CG2 ILE A 54 16.512 -7.419 -7.102 1.00 0.00 C ATOM 814 CD1 ILE A 54 14.226 -6.119 -4.951 1.00 0.00 C ATOM 0 H ILE A 54 17.023 -9.695 -3.143 1.00 0.00 H new ATOM 0 HA ILE A 54 16.475 -9.621 -5.417 1.00 0.00 H new ATOM 0 HB ILE A 54 16.712 -6.593 -5.146 1.00 0.00 H new ATOM 0 HG12 ILE A 54 14.236 -7.876 -6.160 1.00 0.00 H new ATOM 0 HG13 ILE A 54 14.582 -8.165 -4.466 1.00 0.00 H new ATOM 0 HG21 ILE A 54 16.031 -6.531 -7.512 1.00 0.00 H new ATOM 0 HG22 ILE A 54 17.583 -7.373 -7.297 1.00 0.00 H new ATOM 0 HG23 ILE A 54 16.095 -8.309 -7.574 1.00 0.00 H new ATOM 0 HD11 ILE A 54 13.158 -6.196 -4.746 1.00 0.00 H new ATOM 0 HD12 ILE A 54 14.738 -5.734 -4.069 1.00 0.00 H new ATOM 0 HD13 ILE A 54 14.386 -5.440 -5.789 1.00 0.00 H new ATOM 826 N ILE A 55 18.790 -9.540 -6.346 1.00 0.00 N ATOM 827 CA ILE A 55 20.173 -9.624 -6.797 1.00 0.00 C ATOM 828 C ILE A 55 20.425 -8.687 -7.973 1.00 0.00 C ATOM 829 O ILE A 55 21.337 -7.861 -7.937 1.00 0.00 O ATOM 830 CB ILE A 55 20.543 -11.060 -7.212 1.00 0.00 C ATOM 831 CG1 ILE A 55 20.220 -12.042 -6.085 1.00 0.00 C ATOM 832 CG2 ILE A 55 22.016 -11.142 -7.586 1.00 0.00 C ATOM 833 CD1 ILE A 55 19.961 -13.453 -6.567 1.00 0.00 C ATOM 0 H ILE A 55 18.147 -10.159 -6.840 1.00 0.00 H new ATOM 0 HA ILE A 55 20.798 -9.325 -5.956 1.00 0.00 H new ATOM 0 HB ILE A 55 19.950 -11.332 -8.085 1.00 0.00 H new ATOM 0 HG12 ILE A 55 21.049 -12.055 -5.377 1.00 0.00 H new ATOM 0 HG13 ILE A 55 19.344 -11.685 -5.543 1.00 0.00 H new ATOM 0 HG21 ILE A 55 22.261 -12.163 -7.877 1.00 0.00 H new ATOM 0 HG22 ILE A 55 22.218 -10.469 -8.419 1.00 0.00 H new ATOM 0 HG23 ILE A 55 22.625 -10.852 -6.730 1.00 0.00 H new ATOM 0 HD11 ILE A 55 19.739 -14.094 -5.714 1.00 0.00 H new ATOM 0 HD12 ILE A 55 19.113 -13.454 -7.252 1.00 0.00 H new ATOM 0 HD13 ILE A 55 20.844 -13.829 -7.083 1.00 0.00 H new ATOM 845 N SER A 56 19.609 -8.820 -9.014 1.00 0.00 N ATOM 846 CA SER A 56 19.741 -7.983 -10.202 1.00 0.00 C ATOM 847 C SER A 56 18.929 -6.700 -10.056 1.00 0.00 C ATOM 848 O SER A 56 18.483 -6.120 -11.045 1.00 0.00 O ATOM 849 CB SER A 56 19.288 -8.750 -11.445 1.00 0.00 C ATOM 850 OG SER A 56 19.874 -8.215 -12.618 1.00 0.00 O ATOM 0 H SER A 56 18.849 -9.499 -9.059 1.00 0.00 H new ATOM 0 HA SER A 56 20.792 -7.715 -10.313 1.00 0.00 H new ATOM 0 HB2 SER A 56 19.560 -9.801 -11.346 1.00 0.00 H new ATOM 0 HB3 SER A 56 18.202 -8.708 -11.526 1.00 0.00 H new ATOM 0 HG SER A 56 19.707 -7.250 -12.656 1.00 0.00 H new ATOM 856 N GLU A 57 18.743 -6.265 -8.815 1.00 0.00 N ATOM 857 CA GLU A 57 17.986 -5.051 -8.534 1.00 0.00 C ATOM 858 C GLU A 57 17.930 -4.786 -7.035 1.00 0.00 C ATOM 859 O GLU A 57 18.427 -5.581 -6.236 1.00 0.00 O ATOM 860 CB GLU A 57 16.567 -5.168 -9.096 1.00 0.00 C ATOM 861 CG GLU A 57 16.114 -3.937 -9.866 1.00 0.00 C ATOM 862 CD GLU A 57 14.659 -4.017 -10.285 1.00 0.00 C ATOM 863 OE1 GLU A 57 14.224 -5.106 -10.716 1.00 0.00 O ATOM 864 OE2 GLU A 57 13.955 -2.991 -10.186 1.00 0.00 O ATOM 0 H GLU A 57 19.107 -6.736 -7.986 1.00 0.00 H new ATOM 0 HA GLU A 57 18.492 -4.215 -9.017 1.00 0.00 H new ATOM 0 HB2 GLU A 57 16.516 -6.036 -9.753 1.00 0.00 H new ATOM 0 HB3 GLU A 57 15.873 -5.348 -8.275 1.00 0.00 H new ATOM 0 HG2 GLU A 57 16.263 -3.051 -9.249 1.00 0.00 H new ATOM 0 HG3 GLU A 57 16.738 -3.817 -10.752 1.00 0.00 H new ATOM 871 N ASN A 58 17.324 -3.667 -6.656 1.00 0.00 N ATOM 872 CA ASN A 58 17.208 -3.306 -5.248 1.00 0.00 C ATOM 873 C ASN A 58 16.533 -1.949 -5.082 1.00 0.00 C ATOM 874 O ASN A 58 16.911 -0.970 -5.725 1.00 0.00 O ATOM 875 CB ASN A 58 18.589 -3.285 -4.591 1.00 0.00 C ATOM 876 CG ASN A 58 18.854 -1.993 -3.843 1.00 0.00 C ATOM 877 OD1 ASN A 58 19.047 -1.994 -2.627 1.00 0.00 O ATOM 878 ND2 ASN A 58 18.863 -0.881 -4.568 1.00 0.00 N ATOM 0 H ASN A 58 16.907 -2.996 -7.301 1.00 0.00 H new ATOM 0 HA ASN A 58 16.589 -4.058 -4.758 1.00 0.00 H new ATOM 0 HB2 ASN A 58 18.673 -4.125 -3.901 1.00 0.00 H new ATOM 0 HB3 ASN A 58 19.354 -3.423 -5.355 1.00 0.00 H new ATOM 0 HD21 ASN A 58 19.035 0.019 -4.119 1.00 0.00 H new ATOM 0 HD22 ASN A 58 18.698 -0.926 -5.574 1.00 0.00 H new ATOM 885 N PRO A 59 15.519 -1.881 -4.207 1.00 0.00 N ATOM 886 CA PRO A 59 15.052 -3.019 -3.435 1.00 0.00 C ATOM 887 C PRO A 59 13.853 -3.691 -4.085 1.00 0.00 C ATOM 888 O PRO A 59 13.622 -3.545 -5.285 1.00 0.00 O ATOM 889 CB PRO A 59 14.627 -2.345 -2.140 1.00 0.00 C ATOM 890 CG PRO A 59 14.041 -1.043 -2.588 1.00 0.00 C ATOM 891 CD PRO A 59 14.731 -0.678 -3.890 1.00 0.00 C ATOM 0 HA PRO A 59 15.800 -3.805 -3.327 1.00 0.00 H new ATOM 0 HB2 PRO A 59 13.897 -2.946 -1.597 1.00 0.00 H new ATOM 0 HB3 PRO A 59 15.475 -2.193 -1.472 1.00 0.00 H new ATOM 0 HG2 PRO A 59 12.964 -1.133 -2.733 1.00 0.00 H new ATOM 0 HG3 PRO A 59 14.198 -0.269 -1.837 1.00 0.00 H new ATOM 0 HD2 PRO A 59 14.011 -0.450 -4.676 1.00 0.00 H new ATOM 0 HD3 PRO A 59 15.367 0.200 -3.776 1.00 0.00 H new ATOM 899 N CYS A 60 13.075 -4.400 -3.281 1.00 0.00 N ATOM 900 CA CYS A 60 11.880 -5.059 -3.777 1.00 0.00 C ATOM 901 C CYS A 60 10.655 -4.272 -3.335 1.00 0.00 C ATOM 902 O CYS A 60 10.058 -4.568 -2.302 1.00 0.00 O ATOM 903 CB CYS A 60 11.800 -6.495 -3.250 1.00 0.00 C ATOM 904 SG CYS A 60 10.777 -7.595 -4.256 1.00 0.00 S ATOM 0 H CYS A 60 13.250 -4.533 -2.285 1.00 0.00 H new ATOM 0 HA CYS A 60 11.918 -5.096 -4.866 1.00 0.00 H new ATOM 0 HB2 CYS A 60 12.808 -6.906 -3.192 1.00 0.00 H new ATOM 0 HB3 CYS A 60 11.404 -6.476 -2.234 1.00 0.00 H new ATOM 0 HG CYS A 60 10.773 -8.784 -3.731 1.00 0.00 H new ATOM 910 N ILE A 61 10.292 -3.263 -4.121 1.00 0.00 N ATOM 911 CA ILE A 61 9.146 -2.423 -3.802 1.00 0.00 C ATOM 912 C ILE A 61 7.990 -2.678 -4.750 1.00 0.00 C ATOM 913 O ILE A 61 8.102 -2.466 -5.958 1.00 0.00 O ATOM 914 CB ILE A 61 9.500 -0.925 -3.857 1.00 0.00 C ATOM 915 CG1 ILE A 61 10.917 -0.695 -3.326 1.00 0.00 C ATOM 916 CG2 ILE A 61 8.481 -0.107 -3.068 1.00 0.00 C ATOM 917 CD1 ILE A 61 10.971 0.157 -2.076 1.00 0.00 C ATOM 0 H ILE A 61 10.775 -3.009 -4.982 1.00 0.00 H new ATOM 0 HA ILE A 61 8.852 -2.686 -2.786 1.00 0.00 H new ATOM 0 HB ILE A 61 9.467 -0.594 -4.895 1.00 0.00 H new ATOM 0 HG12 ILE A 61 11.377 -1.660 -3.116 1.00 0.00 H new ATOM 0 HG13 ILE A 61 11.514 -0.220 -4.104 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.746 0.949 -3.117 1.00 0.00 H new ATOM 0 HG22 ILE A 61 7.489 -0.252 -3.495 1.00 0.00 H new ATOM 0 HG23 ILE A 61 8.480 -0.433 -2.028 1.00 0.00 H new ATOM 0 HD11 ILE A 61 12.008 0.275 -1.761 1.00 0.00 H new ATOM 0 HD12 ILE A 61 10.541 1.137 -2.285 1.00 0.00 H new ATOM 0 HD13 ILE A 61 10.403 -0.327 -1.281 1.00 0.00 H new ATOM 929 N LYS A 62 6.875 -3.114 -4.193 1.00 0.00 N ATOM 930 CA LYS A 62 5.686 -3.377 -4.982 1.00 0.00 C ATOM 931 C LYS A 62 4.634 -2.324 -4.699 1.00 0.00 C ATOM 932 O LYS A 62 4.414 -1.949 -3.545 1.00 0.00 O ATOM 933 CB LYS A 62 5.116 -4.755 -4.666 1.00 0.00 C ATOM 934 CG LYS A 62 4.333 -5.361 -5.818 1.00 0.00 C ATOM 935 CD LYS A 62 4.582 -6.855 -5.940 1.00 0.00 C ATOM 936 CE LYS A 62 3.901 -7.437 -7.168 1.00 0.00 C ATOM 937 NZ LYS A 62 2.419 -7.465 -7.020 1.00 0.00 N ATOM 0 H LYS A 62 6.768 -3.294 -3.195 1.00 0.00 H new ATOM 0 HA LYS A 62 5.965 -3.346 -6.035 1.00 0.00 H new ATOM 0 HB2 LYS A 62 5.933 -5.426 -4.399 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.466 -4.680 -3.794 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.268 -5.180 -5.670 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.614 -4.868 -6.749 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.654 -7.042 -5.995 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.215 -7.360 -5.046 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.167 -6.847 -8.045 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.268 -8.449 -7.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.026 -8.232 -7.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.173 -7.626 -6.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.022 -6.556 -7.332 1.00 0.00 H new ATOM 951 N HIS A 63 3.983 -1.850 -5.747 1.00 0.00 N ATOM 952 CA HIS A 63 2.954 -0.848 -5.587 1.00 0.00 C ATOM 953 C HIS A 63 1.577 -1.458 -5.793 1.00 0.00 C ATOM 954 O HIS A 63 1.186 -1.783 -6.914 1.00 0.00 O ATOM 955 CB HIS A 63 3.180 0.293 -6.577 1.00 0.00 C ATOM 956 CG HIS A 63 4.622 0.523 -6.903 1.00 0.00 C ATOM 957 ND1 HIS A 63 5.263 0.500 -8.099 1.00 0.00 N flip ATOM 958 CD2 HIS A 63 5.584 0.815 -5.962 1.00 0.00 C flip ATOM 959 CE1 HIS A 63 6.614 0.776 -7.899 1.00 0.00 C flip ATOM 960 NE2 HIS A 63 6.753 0.957 -6.600 1.00 0.00 N flip ATOM 0 H HIS A 63 4.150 -2.143 -6.710 1.00 0.00 H new ATOM 0 HA HIS A 63 3.006 -0.454 -4.572 1.00 0.00 H new ATOM 0 HB2 HIS A 63 2.637 0.078 -7.498 1.00 0.00 H new ATOM 0 HB3 HIS A 63 2.758 1.210 -6.165 1.00 0.00 H new ATOM 0 HD1 HIS A 63 4.825 0.311 -9.001 1.00 0.00 H new ATOM 0 HD2 HIS A 63 5.424 0.912 -4.898 1.00 0.00 H new ATOM 0 HE1 HIS A 63 7.387 0.830 -8.651 1.00 0.00 H new ATOM 968 N TYR A 64 0.847 -1.596 -4.699 1.00 0.00 N ATOM 969 CA TYR A 64 -0.495 -2.151 -4.730 1.00 0.00 C ATOM 970 C TYR A 64 -1.525 -1.039 -4.620 1.00 0.00 C ATOM 971 O TYR A 64 -1.617 -0.369 -3.590 1.00 0.00 O ATOM 972 CB TYR A 64 -0.669 -3.146 -3.590 1.00 0.00 C ATOM 973 CG TYR A 64 0.142 -4.393 -3.796 1.00 0.00 C ATOM 974 CD1 TYR A 64 1.511 -4.387 -3.590 1.00 0.00 C ATOM 975 CD2 TYR A 64 -0.455 -5.571 -4.218 1.00 0.00 C ATOM 976 CE1 TYR A 64 2.262 -5.518 -3.797 1.00 0.00 C ATOM 977 CE2 TYR A 64 0.291 -6.710 -4.426 1.00 0.00 C ATOM 978 CZ TYR A 64 1.652 -6.680 -4.214 1.00 0.00 C ATOM 979 OH TYR A 64 2.402 -7.816 -4.421 1.00 0.00 O ATOM 0 H TYR A 64 1.166 -1.328 -3.768 1.00 0.00 H new ATOM 0 HA TYR A 64 -0.643 -2.669 -5.677 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -0.376 -2.675 -2.651 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -1.722 -3.411 -3.499 1.00 0.00 H new ATOM 0 HD1 TYR A 64 1.996 -3.479 -3.262 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -1.522 -5.596 -4.386 1.00 0.00 H new ATOM 0 HE1 TYR A 64 3.329 -5.496 -3.633 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -0.188 -7.621 -4.753 1.00 0.00 H new ATOM 0 HH TYR A 64 3.050 -7.918 -3.693 1.00 0.00 H new ATOM 989 N HIS A 65 -2.302 -0.836 -5.679 1.00 0.00 N ATOM 990 CA HIS A 65 -3.319 0.200 -5.656 1.00 0.00 C ATOM 991 C HIS A 65 -4.623 -0.358 -5.151 1.00 0.00 C ATOM 992 O HIS A 65 -5.000 -1.483 -5.482 1.00 0.00 O ATOM 993 CB HIS A 65 -3.544 0.827 -7.026 1.00 0.00 C ATOM 994 CG HIS A 65 -3.796 2.285 -6.932 1.00 0.00 C ATOM 995 ND1 HIS A 65 -3.720 2.983 -5.757 1.00 0.00 N ATOM 996 CD2 HIS A 65 -4.138 3.179 -7.882 1.00 0.00 C ATOM 997 CE1 HIS A 65 -4.011 4.256 -6.020 1.00 0.00 C ATOM 998 NE2 HIS A 65 -4.274 4.433 -7.299 1.00 0.00 N ATOM 0 H HIS A 65 -2.247 -1.367 -6.548 1.00 0.00 H new ATOM 0 HA HIS A 65 -2.956 0.979 -4.985 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -2.671 0.649 -7.654 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -4.391 0.343 -7.512 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -3.483 2.597 -4.843 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -4.283 2.956 -8.929 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -4.029 5.042 -5.280 1.00 0.00 H new ATOM 1006 N ILE A 66 -5.320 0.428 -4.356 1.00 0.00 N ATOM 1007 CA ILE A 66 -6.589 -0.020 -3.821 1.00 0.00 C ATOM 1008 C ILE A 66 -7.705 0.234 -4.821 1.00 0.00 C ATOM 1009 O ILE A 66 -8.145 1.363 -5.008 1.00 0.00 O ATOM 1010 CB ILE A 66 -6.923 0.667 -2.483 1.00 0.00 C ATOM 1011 CG1 ILE A 66 -5.684 1.344 -1.897 1.00 0.00 C ATOM 1012 CG2 ILE A 66 -7.472 -0.350 -1.500 1.00 0.00 C ATOM 1013 CD1 ILE A 66 -4.406 0.558 -2.106 1.00 0.00 C ATOM 0 H ILE A 66 -5.036 1.365 -4.070 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.502 -1.091 -3.636 1.00 0.00 H new ATOM 0 HB ILE A 66 -7.678 1.431 -2.668 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.572 2.330 -2.348 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.835 1.497 -0.829 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.705 0.145 -0.557 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.378 -0.799 -1.908 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.728 -1.128 -1.327 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.569 1.099 -1.664 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.498 -0.419 -1.631 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.230 0.427 -3.174 1.00 0.00 H new ATOM 1025 N LYS A 67 -8.167 -0.831 -5.457 1.00 0.00 N ATOM 1026 CA LYS A 67 -9.239 -0.725 -6.431 1.00 0.00 C ATOM 1027 C LYS A 67 -10.549 -0.425 -5.720 1.00 0.00 C ATOM 1028 O LYS A 67 -10.742 -0.847 -4.581 1.00 0.00 O ATOM 1029 CB LYS A 67 -9.357 -2.016 -7.243 1.00 0.00 C ATOM 1030 CG LYS A 67 -10.288 -1.899 -8.438 1.00 0.00 C ATOM 1031 CD LYS A 67 -9.766 -0.897 -9.456 1.00 0.00 C ATOM 1032 CE LYS A 67 -10.490 0.435 -9.348 1.00 0.00 C ATOM 1033 NZ LYS A 67 -10.395 1.221 -10.609 1.00 0.00 N ATOM 0 H LYS A 67 -7.816 -1.778 -5.315 1.00 0.00 H new ATOM 0 HA LYS A 67 -9.012 0.090 -7.119 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.366 -2.308 -7.592 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -9.714 -2.814 -6.592 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.399 -2.875 -8.911 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -11.278 -1.594 -8.100 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -8.697 -0.745 -9.304 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -9.890 -1.300 -10.461 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -11.539 0.260 -9.107 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -10.066 1.013 -8.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -9.714 1.997 -10.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -10.076 0.601 -11.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -11.329 1.614 -10.844 1.00 0.00 H new ATOM 1047 N GLU A 68 -11.433 0.309 -6.392 1.00 0.00 N ATOM 1048 CA GLU A 68 -12.728 0.687 -5.824 1.00 0.00 C ATOM 1049 C GLU A 68 -13.864 0.039 -6.603 1.00 0.00 C ATOM 1050 O GLU A 68 -13.850 0.016 -7.834 1.00 0.00 O ATOM 1051 CB GLU A 68 -12.885 2.210 -5.868 1.00 0.00 C ATOM 1052 CG GLU A 68 -12.533 2.907 -4.564 1.00 0.00 C ATOM 1053 CD GLU A 68 -11.186 2.482 -4.015 1.00 0.00 C ATOM 1054 OE1 GLU A 68 -10.527 1.634 -4.650 1.00 0.00 O ATOM 1055 OE2 GLU A 68 -10.789 2.998 -2.949 1.00 0.00 O ATOM 0 H GLU A 68 -11.275 0.657 -7.338 1.00 0.00 H new ATOM 0 HA GLU A 68 -12.768 0.342 -4.791 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -12.253 2.607 -6.662 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -13.915 2.451 -6.130 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.531 3.985 -4.723 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -13.305 2.695 -3.824 1.00 0.00 H new ATOM 1062 N THR A 69 -14.847 -0.488 -5.881 1.00 0.00 N ATOM 1063 CA THR A 69 -15.988 -1.135 -6.514 1.00 0.00 C ATOM 1064 C THR A 69 -17.276 -0.814 -5.767 1.00 0.00 C ATOM 1065 O THR A 69 -17.296 -0.763 -4.539 1.00 0.00 O ATOM 1066 CB THR A 69 -15.779 -2.649 -6.565 1.00 0.00 C ATOM 1067 OG1 THR A 69 -16.949 -3.302 -7.022 1.00 0.00 O ATOM 1068 CG2 THR A 69 -15.411 -3.248 -5.224 1.00 0.00 C ATOM 0 H THR A 69 -14.876 -0.480 -4.861 1.00 0.00 H new ATOM 0 HA THR A 69 -16.073 -0.753 -7.531 1.00 0.00 H new ATOM 0 HB THR A 69 -14.948 -2.803 -7.253 1.00 0.00 H new ATOM 0 HG1 THR A 69 -16.794 -4.269 -7.049 1.00 0.00 H new ATOM 0 HG21 THR A 69 -15.277 -4.324 -5.331 1.00 0.00 H new ATOM 0 HG22 THR A 69 -14.483 -2.801 -4.868 1.00 0.00 H new ATOM 0 HG23 THR A 69 -16.208 -3.051 -4.507 1.00 0.00 H new ATOM 1076 N ASN A 70 -18.351 -0.601 -6.514 1.00 0.00 N ATOM 1077 CA ASN A 70 -19.640 -0.290 -5.911 1.00 0.00 C ATOM 1078 C ASN A 70 -20.137 -1.464 -5.076 1.00 0.00 C ATOM 1079 O ASN A 70 -21.283 -1.892 -5.209 1.00 0.00 O ATOM 1080 CB ASN A 70 -20.665 0.052 -6.995 1.00 0.00 C ATOM 1081 CG ASN A 70 -20.833 -1.066 -8.006 1.00 0.00 C ATOM 1082 OD1 ASN A 70 -20.495 -0.912 -9.179 1.00 0.00 O ATOM 1083 ND2 ASN A 70 -21.356 -2.199 -7.553 1.00 0.00 N ATOM 0 H ASN A 70 -18.357 -0.638 -7.533 1.00 0.00 H new ATOM 0 HA ASN A 70 -19.514 0.574 -5.258 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -21.627 0.263 -6.528 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -20.355 0.961 -7.511 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -21.492 -2.987 -8.186 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -21.622 -2.282 -6.572 1.00 0.00 H new ATOM 1090 N ASP A 71 -19.267 -1.984 -4.213 1.00 0.00 N ATOM 1091 CA ASP A 71 -19.625 -3.110 -3.361 1.00 0.00 C ATOM 1092 C ASP A 71 -20.716 -2.711 -2.374 1.00 0.00 C ATOM 1093 O ASP A 71 -21.492 -1.792 -2.634 1.00 0.00 O ATOM 1094 CB ASP A 71 -18.398 -3.634 -2.612 1.00 0.00 C ATOM 1095 CG ASP A 71 -18.257 -5.140 -2.721 1.00 0.00 C ATOM 1096 OD1 ASP A 71 -19.279 -5.844 -2.577 1.00 0.00 O ATOM 1097 OD2 ASP A 71 -17.124 -5.615 -2.949 1.00 0.00 O ATOM 0 H ASP A 71 -18.314 -1.644 -4.087 1.00 0.00 H new ATOM 0 HA ASP A 71 -20.008 -3.908 -3.997 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -17.502 -3.158 -3.009 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -18.469 -3.353 -1.561 1.00 0.00 H new ATOM 1102 N SER A 72 -20.776 -3.405 -1.243 1.00 0.00 N ATOM 1103 CA SER A 72 -21.781 -3.112 -0.228 1.00 0.00 C ATOM 1104 C SER A 72 -21.321 -3.562 1.156 1.00 0.00 C ATOM 1105 O SER A 72 -21.669 -4.650 1.613 1.00 0.00 O ATOM 1106 CB SER A 72 -23.104 -3.793 -0.581 1.00 0.00 C ATOM 1107 OG SER A 72 -23.902 -3.991 0.574 1.00 0.00 O ATOM 0 H SER A 72 -20.144 -4.170 -1.007 1.00 0.00 H new ATOM 0 HA SER A 72 -21.925 -2.032 -0.205 1.00 0.00 H new ATOM 0 HB2 SER A 72 -23.649 -3.184 -1.303 1.00 0.00 H new ATOM 0 HB3 SER A 72 -22.906 -4.753 -1.059 1.00 0.00 H new ATOM 0 HG SER A 72 -23.431 -4.579 1.200 1.00 0.00 H new ATOM 1113 N PRO A 73 -20.531 -2.723 1.843 1.00 0.00 N ATOM 1114 CA PRO A 73 -20.101 -1.427 1.328 1.00 0.00 C ATOM 1115 C PRO A 73 -18.811 -1.526 0.521 1.00 0.00 C ATOM 1116 O PRO A 73 -18.423 -0.587 -0.171 1.00 0.00 O ATOM 1117 CB PRO A 73 -19.871 -0.633 2.608 1.00 0.00 C ATOM 1118 CG PRO A 73 -19.390 -1.646 3.596 1.00 0.00 C ATOM 1119 CD PRO A 73 -19.988 -2.976 3.188 1.00 0.00 C ATOM 0 HA PRO A 73 -20.824 -0.982 0.644 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -19.134 0.156 2.458 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -20.789 -0.152 2.947 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -18.301 -1.697 3.598 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -19.699 -1.377 4.606 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -19.236 -3.765 3.173 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -20.768 -3.293 3.881 1.00 0.00 H new ATOM 1127 N LYS A 74 -18.151 -2.675 0.625 1.00 0.00 N ATOM 1128 CA LYS A 74 -16.899 -2.917 -0.083 1.00 0.00 C ATOM 1129 C LYS A 74 -16.739 -1.987 -1.278 1.00 0.00 C ATOM 1130 O LYS A 74 -17.712 -1.609 -1.928 1.00 0.00 O ATOM 1131 CB LYS A 74 -16.827 -4.373 -0.544 1.00 0.00 C ATOM 1132 CG LYS A 74 -16.061 -5.275 0.410 1.00 0.00 C ATOM 1133 CD LYS A 74 -17.003 -6.104 1.268 1.00 0.00 C ATOM 1134 CE LYS A 74 -17.747 -7.135 0.437 1.00 0.00 C ATOM 1135 NZ LYS A 74 -19.221 -6.942 0.502 1.00 0.00 N ATOM 0 H LYS A 74 -18.466 -3.459 1.197 1.00 0.00 H new ATOM 0 HA LYS A 74 -16.083 -2.714 0.611 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -17.840 -4.759 -0.662 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -16.355 -4.412 -1.526 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -15.407 -5.937 -0.159 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -15.421 -4.669 1.051 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -16.436 -6.607 2.052 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -17.719 -5.448 1.763 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -17.418 -7.071 -0.600 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -17.496 -8.135 0.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -19.692 -7.665 -0.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -19.539 -7.028 1.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -19.464 -5.997 0.141 1.00 0.00 H new ATOM 1149 N ARG A 75 -15.494 -1.619 -1.549 1.00 0.00 N ATOM 1150 CA ARG A 75 -15.179 -0.736 -2.655 1.00 0.00 C ATOM 1151 C ARG A 75 -13.721 -0.848 -3.060 1.00 0.00 C ATOM 1152 O ARG A 75 -13.407 -1.105 -4.221 1.00 0.00 O ATOM 1153 CB ARG A 75 -15.480 0.704 -2.273 1.00 0.00 C ATOM 1154 CG ARG A 75 -16.957 0.983 -2.209 1.00 0.00 C ATOM 1155 CD ARG A 75 -17.248 2.351 -1.618 1.00 0.00 C ATOM 1156 NE ARG A 75 -16.426 3.390 -2.227 1.00 0.00 N ATOM 1157 CZ ARG A 75 -16.477 4.671 -1.876 1.00 0.00 C ATOM 1158 NH1 ARG A 75 -17.309 5.067 -0.922 1.00 0.00 N ATOM 1159 NH2 ARG A 75 -15.697 5.557 -2.479 1.00 0.00 N ATOM 0 H ARG A 75 -14.683 -1.923 -1.011 1.00 0.00 H new ATOM 0 HA ARG A 75 -15.797 -1.036 -3.501 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -15.029 0.922 -1.305 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -15.017 1.374 -2.998 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -17.382 0.922 -3.211 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -17.446 0.216 -1.608 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -18.302 2.591 -1.760 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -17.068 2.328 -0.543 1.00 0.00 H new ATOM 0 HE ARG A 75 -15.775 3.118 -2.964 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -17.911 4.388 -0.456 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -17.347 6.050 -0.654 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -15.056 5.256 -3.214 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -15.737 6.540 -2.208 1.00 0.00 H new ATOM 1173 N TYR A 76 -12.835 -0.616 -2.101 1.00 0.00 N ATOM 1174 CA TYR A 76 -11.410 -0.645 -2.371 1.00 0.00 C ATOM 1175 C TYR A 76 -10.840 -2.053 -2.303 1.00 0.00 C ATOM 1176 O TYR A 76 -11.313 -2.900 -1.548 1.00 0.00 O ATOM 1177 CB TYR A 76 -10.690 0.287 -1.404 1.00 0.00 C ATOM 1178 CG TYR A 76 -11.466 1.553 -1.167 1.00 0.00 C ATOM 1179 CD1 TYR A 76 -12.603 1.820 -1.912 1.00 0.00 C ATOM 1180 CD2 TYR A 76 -11.074 2.470 -0.208 1.00 0.00 C ATOM 1181 CE1 TYR A 76 -13.334 2.964 -1.711 1.00 0.00 C ATOM 1182 CE2 TYR A 76 -11.801 3.626 0.004 1.00 0.00 C ATOM 1183 CZ TYR A 76 -12.933 3.870 -0.750 1.00 0.00 C ATOM 1184 OH TYR A 76 -13.661 5.018 -0.544 1.00 0.00 O ATOM 0 H TYR A 76 -13.080 -0.407 -1.133 1.00 0.00 H new ATOM 0 HA TYR A 76 -11.251 -0.298 -3.392 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -10.532 -0.225 -0.455 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -9.705 0.533 -1.801 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -12.920 1.114 -2.665 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -10.189 2.280 0.382 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -14.218 3.154 -2.301 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -11.486 4.335 0.755 1.00 0.00 H new ATOM 0 HH TYR A 76 -13.244 5.546 0.168 1.00 0.00 H new ATOM 1194 N TYR A 77 -9.829 -2.284 -3.125 1.00 0.00 N ATOM 1195 CA TYR A 77 -9.174 -3.589 -3.208 1.00 0.00 C ATOM 1196 C TYR A 77 -8.091 -3.571 -4.282 1.00 0.00 C ATOM 1197 O TYR A 77 -8.278 -2.983 -5.343 1.00 0.00 O ATOM 1198 CB TYR A 77 -10.193 -4.654 -3.576 1.00 0.00 C ATOM 1199 CG TYR A 77 -10.434 -4.686 -5.055 1.00 0.00 C ATOM 1200 CD1 TYR A 77 -11.342 -3.812 -5.631 1.00 0.00 C ATOM 1201 CD2 TYR A 77 -9.733 -5.553 -5.876 1.00 0.00 C ATOM 1202 CE1 TYR A 77 -11.555 -3.802 -6.989 1.00 0.00 C ATOM 1203 CE2 TYR A 77 -9.936 -5.549 -7.244 1.00 0.00 C ATOM 1204 CZ TYR A 77 -10.849 -4.672 -7.796 1.00 0.00 C ATOM 1205 OH TYR A 77 -11.056 -4.665 -9.156 1.00 0.00 O ATOM 0 H TYR A 77 -9.438 -1.580 -3.752 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.729 -3.810 -2.238 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.840 -5.630 -3.241 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -11.131 -4.459 -3.056 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -11.892 -3.127 -5.002 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -9.020 -6.240 -5.444 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -12.270 -3.118 -7.422 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -9.384 -6.228 -7.877 1.00 0.00 H new ATOM 0 HH TYR A 77 -11.881 -4.177 -9.359 1.00 0.00 H new ATOM 1215 N VAL A 78 -6.968 -4.220 -4.019 1.00 0.00 N ATOM 1216 CA VAL A 78 -5.880 -4.256 -4.990 1.00 0.00 C ATOM 1217 C VAL A 78 -6.041 -5.403 -5.984 1.00 0.00 C ATOM 1218 O VAL A 78 -6.470 -5.204 -7.120 1.00 0.00 O ATOM 1219 CB VAL A 78 -4.507 -4.390 -4.299 1.00 0.00 C ATOM 1220 CG1 VAL A 78 -3.584 -5.294 -5.103 1.00 0.00 C ATOM 1221 CG2 VAL A 78 -3.882 -3.019 -4.087 1.00 0.00 C ATOM 0 H VAL A 78 -6.784 -4.725 -3.152 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.925 -3.309 -5.528 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.656 -4.850 -3.322 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -2.622 -5.374 -4.597 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.031 -6.284 -5.191 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -3.437 -4.872 -6.097 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -2.914 -3.132 -3.599 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.747 -2.528 -5.051 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.537 -2.414 -3.460 1.00 0.00 H new ATOM 1231 N ALA A 79 -5.657 -6.594 -5.551 1.00 0.00 N ATOM 1232 CA ALA A 79 -5.711 -7.785 -6.390 1.00 0.00 C ATOM 1233 C ALA A 79 -7.100 -8.412 -6.439 1.00 0.00 C ATOM 1234 O ALA A 79 -7.241 -9.608 -6.186 1.00 0.00 O ATOM 1235 CB ALA A 79 -4.721 -8.804 -5.851 1.00 0.00 C ATOM 0 H ALA A 79 -5.300 -6.764 -4.611 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.459 -7.485 -7.407 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.750 -9.701 -6.469 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.716 -8.381 -5.872 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.986 -9.061 -4.825 1.00 0.00 H new ATOM 1241 N GLU A 80 -8.134 -7.633 -6.755 1.00 0.00 N ATOM 1242 CA GLU A 80 -9.477 -8.202 -6.798 1.00 0.00 C ATOM 1243 C GLU A 80 -9.541 -9.309 -5.762 1.00 0.00 C ATOM 1244 O GLU A 80 -10.250 -10.305 -5.915 1.00 0.00 O ATOM 1245 CB GLU A 80 -9.791 -8.753 -8.190 1.00 0.00 C ATOM 1246 CG GLU A 80 -9.297 -7.866 -9.321 1.00 0.00 C ATOM 1247 CD GLU A 80 -9.354 -8.556 -10.670 1.00 0.00 C ATOM 1248 OE1 GLU A 80 -9.781 -9.729 -10.719 1.00 0.00 O ATOM 1249 OE2 GLU A 80 -8.971 -7.923 -11.677 1.00 0.00 O ATOM 0 H GLU A 80 -8.072 -6.640 -6.978 1.00 0.00 H new ATOM 0 HA GLU A 80 -10.217 -7.432 -6.580 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.341 -9.741 -8.291 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -10.869 -8.883 -8.286 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -9.899 -6.958 -9.356 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.271 -7.560 -9.116 1.00 0.00 H new ATOM 1256 N LYS A 81 -8.746 -9.115 -4.719 1.00 0.00 N ATOM 1257 CA LYS A 81 -8.621 -10.062 -3.626 1.00 0.00 C ATOM 1258 C LYS A 81 -9.589 -9.750 -2.496 1.00 0.00 C ATOM 1259 O LYS A 81 -10.649 -10.362 -2.369 1.00 0.00 O ATOM 1260 CB LYS A 81 -7.206 -9.979 -3.068 1.00 0.00 C ATOM 1261 CG LYS A 81 -6.130 -10.601 -3.937 1.00 0.00 C ATOM 1262 CD LYS A 81 -4.755 -10.385 -3.323 1.00 0.00 C ATOM 1263 CE LYS A 81 -4.254 -11.640 -2.630 1.00 0.00 C ATOM 1264 NZ LYS A 81 -3.816 -11.364 -1.235 1.00 0.00 N ATOM 0 H LYS A 81 -8.164 -8.285 -4.609 1.00 0.00 H new ATOM 0 HA LYS A 81 -8.845 -11.055 -4.014 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -6.958 -8.930 -2.906 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -7.188 -10.465 -2.093 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -6.319 -11.668 -4.052 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -6.162 -10.163 -4.934 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -4.050 -10.091 -4.100 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -4.800 -9.565 -2.606 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -5.045 -12.390 -2.621 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -3.422 -12.060 -3.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -3.171 -12.116 -0.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -3.324 -10.449 -1.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -4.647 -11.334 -0.610 1.00 0.00 H new ATOM 1278 N TYR A 82 -9.182 -8.797 -1.666 1.00 0.00 N ATOM 1279 CA TYR A 82 -9.962 -8.381 -0.515 1.00 0.00 C ATOM 1280 C TYR A 82 -10.429 -6.945 -0.671 1.00 0.00 C ATOM 1281 O TYR A 82 -9.665 -6.008 -0.438 1.00 0.00 O ATOM 1282 CB TYR A 82 -9.124 -8.501 0.759 1.00 0.00 C ATOM 1283 CG TYR A 82 -8.169 -9.675 0.764 1.00 0.00 C ATOM 1284 CD1 TYR A 82 -7.240 -9.857 -0.253 1.00 0.00 C ATOM 1285 CD2 TYR A 82 -8.200 -10.601 1.797 1.00 0.00 C ATOM 1286 CE1 TYR A 82 -6.371 -10.928 -0.238 1.00 0.00 C ATOM 1287 CE2 TYR A 82 -7.335 -11.675 1.818 1.00 0.00 C ATOM 1288 CZ TYR A 82 -6.422 -11.835 0.799 1.00 0.00 C ATOM 1289 OH TYR A 82 -5.557 -12.906 0.816 1.00 0.00 O ATOM 0 H TYR A 82 -8.302 -8.293 -1.775 1.00 0.00 H new ATOM 0 HA TYR A 82 -10.833 -9.032 -0.444 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -8.553 -7.582 0.893 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -9.794 -8.588 1.614 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -7.198 -9.149 -1.068 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -8.914 -10.479 2.598 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -5.654 -11.056 -1.035 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -7.373 -12.387 2.629 1.00 0.00 H new ATOM 0 HH TYR A 82 -5.723 -13.448 1.615 1.00 0.00 H new ATOM 1299 N VAL A 83 -11.681 -6.771 -1.057 1.00 0.00 N ATOM 1300 CA VAL A 83 -12.225 -5.436 -1.226 1.00 0.00 C ATOM 1301 C VAL A 83 -12.700 -4.878 0.102 1.00 0.00 C ATOM 1302 O VAL A 83 -13.229 -5.602 0.945 1.00 0.00 O ATOM 1303 CB VAL A 83 -13.384 -5.405 -2.236 1.00 0.00 C ATOM 1304 CG1 VAL A 83 -13.574 -3.998 -2.781 1.00 0.00 C ATOM 1305 CG2 VAL A 83 -13.136 -6.395 -3.363 1.00 0.00 C ATOM 0 H VAL A 83 -12.334 -7.529 -1.257 1.00 0.00 H new ATOM 0 HA VAL A 83 -11.418 -4.816 -1.617 1.00 0.00 H new ATOM 0 HB VAL A 83 -14.300 -5.699 -1.724 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -14.398 -3.992 -3.495 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -13.800 -3.317 -1.960 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -12.660 -3.674 -3.279 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -13.966 -6.359 -4.068 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -12.211 -6.136 -3.878 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -13.052 -7.401 -2.952 1.00 0.00 H new ATOM 1315 N PHE A 84 -12.498 -3.584 0.283 1.00 0.00 N ATOM 1316 CA PHE A 84 -12.891 -2.915 1.510 1.00 0.00 C ATOM 1317 C PHE A 84 -13.438 -1.525 1.214 1.00 0.00 C ATOM 1318 O PHE A 84 -13.615 -1.147 0.054 1.00 0.00 O ATOM 1319 CB PHE A 84 -11.700 -2.821 2.468 1.00 0.00 C ATOM 1320 CG PHE A 84 -10.899 -4.092 2.557 1.00 0.00 C ATOM 1321 CD1 PHE A 84 -11.248 -5.082 3.462 1.00 0.00 C ATOM 1322 CD2 PHE A 84 -9.801 -4.296 1.736 1.00 0.00 C ATOM 1323 CE1 PHE A 84 -10.517 -6.254 3.545 1.00 0.00 C ATOM 1324 CE2 PHE A 84 -9.064 -5.466 1.815 1.00 0.00 C ATOM 1325 CZ PHE A 84 -9.423 -6.447 2.721 1.00 0.00 C ATOM 0 H PHE A 84 -12.062 -2.974 -0.408 1.00 0.00 H new ATOM 0 HA PHE A 84 -13.679 -3.502 1.983 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -11.046 -2.011 2.144 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -12.063 -2.559 3.462 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -12.100 -4.937 4.110 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -9.517 -3.533 1.026 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -10.801 -7.018 4.253 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -8.210 -5.612 1.170 1.00 0.00 H new ATOM 0 HZ PHE A 84 -8.851 -7.361 2.785 1.00 0.00 H new ATOM 1335 N ASP A 85 -13.705 -0.767 2.269 1.00 0.00 N ATOM 1336 CA ASP A 85 -14.234 0.579 2.125 1.00 0.00 C ATOM 1337 C ASP A 85 -13.179 1.620 2.479 1.00 0.00 C ATOM 1338 O ASP A 85 -13.492 2.798 2.646 1.00 0.00 O ATOM 1339 CB ASP A 85 -15.467 0.763 3.011 1.00 0.00 C ATOM 1340 CG ASP A 85 -15.138 0.659 4.488 1.00 0.00 C ATOM 1341 OD1 ASP A 85 -14.762 1.689 5.087 1.00 0.00 O ATOM 1342 OD2 ASP A 85 -15.257 -0.452 5.045 1.00 0.00 O ATOM 0 H ASP A 85 -13.563 -1.064 3.235 1.00 0.00 H new ATOM 0 HA ASP A 85 -14.520 0.719 1.083 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -15.914 1.736 2.809 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -16.212 0.010 2.753 1.00 0.00 H new ATOM 1347 N SER A 86 -11.929 1.181 2.593 1.00 0.00 N ATOM 1348 CA SER A 86 -10.844 2.092 2.929 1.00 0.00 C ATOM 1349 C SER A 86 -9.485 1.395 2.909 1.00 0.00 C ATOM 1350 O SER A 86 -9.347 0.213 3.281 1.00 0.00 O ATOM 1351 CB SER A 86 -11.085 2.717 4.305 1.00 0.00 C ATOM 1352 OG SER A 86 -11.791 3.940 4.192 1.00 0.00 O ATOM 0 H SER A 86 -11.646 0.210 2.459 1.00 0.00 H new ATOM 0 HA SER A 86 -10.829 2.873 2.169 1.00 0.00 H new ATOM 0 HB2 SER A 86 -11.649 2.024 4.929 1.00 0.00 H new ATOM 0 HB3 SER A 86 -10.130 2.889 4.802 1.00 0.00 H new ATOM 0 HG SER A 86 -12.469 3.862 3.489 1.00 0.00 H new ATOM 1358 N ILE A 87 -8.472 2.146 2.489 1.00 0.00 N ATOM 1359 CA ILE A 87 -7.123 1.625 2.434 1.00 0.00 C ATOM 1360 C ILE A 87 -6.730 1.047 3.787 1.00 0.00 C ATOM 1361 O ILE A 87 -6.157 -0.033 3.859 1.00 0.00 O ATOM 1362 CB ILE A 87 -6.096 2.711 2.055 1.00 0.00 C ATOM 1363 CG1 ILE A 87 -6.197 3.108 0.579 1.00 0.00 C ATOM 1364 CG2 ILE A 87 -4.694 2.213 2.359 1.00 0.00 C ATOM 1365 CD1 ILE A 87 -7.465 2.660 -0.109 1.00 0.00 C ATOM 0 H ILE A 87 -8.566 3.115 2.184 1.00 0.00 H new ATOM 0 HA ILE A 87 -7.114 0.852 1.666 1.00 0.00 H new ATOM 0 HB ILE A 87 -6.316 3.598 2.649 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -6.122 4.193 0.502 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -5.343 2.691 0.045 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -3.969 2.981 2.091 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -4.610 1.990 3.423 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -4.496 1.310 1.782 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.449 2.985 -1.149 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -7.536 1.573 -0.070 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -8.327 3.098 0.395 1.00 0.00 H new ATOM 1377 N PRO A 88 -7.035 1.761 4.887 1.00 0.00 N ATOM 1378 CA PRO A 88 -6.697 1.300 6.235 1.00 0.00 C ATOM 1379 C PRO A 88 -7.194 -0.111 6.497 1.00 0.00 C ATOM 1380 O PRO A 88 -6.428 -0.969 6.933 1.00 0.00 O ATOM 1381 CB PRO A 88 -7.391 2.298 7.164 1.00 0.00 C ATOM 1382 CG PRO A 88 -8.300 3.105 6.293 1.00 0.00 C ATOM 1383 CD PRO A 88 -7.717 3.059 4.909 1.00 0.00 C ATOM 0 HA PRO A 88 -5.618 1.259 6.385 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -7.953 1.782 7.942 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -6.663 2.936 7.666 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -9.310 2.696 6.302 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -8.369 4.132 6.651 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -8.489 3.123 4.142 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -7.025 3.883 4.734 1.00 0.00 H new ATOM 1391 N LEU A 89 -8.461 -0.376 6.188 1.00 0.00 N ATOM 1392 CA LEU A 89 -8.981 -1.720 6.364 1.00 0.00 C ATOM 1393 C LEU A 89 -8.319 -2.590 5.319 1.00 0.00 C ATOM 1394 O LEU A 89 -7.797 -3.673 5.617 1.00 0.00 O ATOM 1395 CB LEU A 89 -10.507 -1.795 6.224 1.00 0.00 C ATOM 1396 CG LEU A 89 -11.245 -0.461 6.145 1.00 0.00 C ATOM 1397 CD1 LEU A 89 -11.581 -0.137 4.700 1.00 0.00 C ATOM 1398 CD2 LEU A 89 -12.509 -0.505 6.988 1.00 0.00 C ATOM 0 H LEU A 89 -9.128 0.305 5.824 1.00 0.00 H new ATOM 0 HA LEU A 89 -8.758 -2.058 7.376 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.741 -2.369 5.327 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.901 -2.355 7.072 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.597 0.323 6.538 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -12.107 0.816 4.654 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.661 -0.072 4.118 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -12.216 -0.922 4.289 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -13.024 0.453 6.922 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -13.164 -1.295 6.621 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -12.247 -0.705 8.027 1.00 0.00 H new ATOM 1410 N LEU A 90 -8.296 -2.077 4.087 1.00 0.00 N ATOM 1411 CA LEU A 90 -7.646 -2.786 3.005 1.00 0.00 C ATOM 1412 C LEU A 90 -6.200 -3.057 3.394 1.00 0.00 C ATOM 1413 O LEU A 90 -5.646 -4.115 3.092 1.00 0.00 O ATOM 1414 CB LEU A 90 -7.715 -1.975 1.715 1.00 0.00 C ATOM 1415 CG LEU A 90 -7.278 -2.730 0.462 1.00 0.00 C ATOM 1416 CD1 LEU A 90 -8.334 -2.609 -0.625 1.00 0.00 C ATOM 1417 CD2 LEU A 90 -5.934 -2.210 -0.026 1.00 0.00 C ATOM 0 H LEU A 90 -8.716 -1.185 3.825 1.00 0.00 H new ATOM 0 HA LEU A 90 -8.158 -3.732 2.829 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -8.739 -1.628 1.575 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.090 -1.089 1.825 1.00 0.00 H new ATOM 0 HG LEU A 90 -7.166 -3.785 0.710 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -8.007 -3.153 -1.512 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -9.274 -3.029 -0.267 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.479 -1.558 -0.876 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.635 -2.757 -0.920 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -6.018 -1.149 -0.261 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.185 -2.351 0.753 1.00 0.00 H new ATOM 1429 N ILE A 91 -5.606 -2.101 4.107 1.00 0.00 N ATOM 1430 CA ILE A 91 -4.242 -2.242 4.585 1.00 0.00 C ATOM 1431 C ILE A 91 -4.243 -3.119 5.823 1.00 0.00 C ATOM 1432 O ILE A 91 -3.365 -3.963 6.008 1.00 0.00 O ATOM 1433 CB ILE A 91 -3.590 -0.881 4.921 1.00 0.00 C ATOM 1434 CG1 ILE A 91 -3.657 0.044 3.713 1.00 0.00 C ATOM 1435 CG2 ILE A 91 -2.141 -1.070 5.354 1.00 0.00 C ATOM 1436 CD1 ILE A 91 -2.935 -0.506 2.514 1.00 0.00 C ATOM 0 H ILE A 91 -6.053 -1.221 4.364 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.654 -2.695 3.786 1.00 0.00 H new ATOM 0 HB ILE A 91 -4.141 -0.430 5.746 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -4.701 0.219 3.453 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -3.228 1.010 3.977 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.701 -0.100 5.586 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.106 -1.705 6.239 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.579 -1.540 4.547 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -3.018 0.197 1.685 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.884 -0.655 2.759 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -3.380 -1.459 2.227 1.00 0.00 H new ATOM 1448 N GLN A 92 -5.262 -2.929 6.657 1.00 0.00 N ATOM 1449 CA GLN A 92 -5.409 -3.720 7.865 1.00 0.00 C ATOM 1450 C GLN A 92 -5.484 -5.189 7.490 1.00 0.00 C ATOM 1451 O GLN A 92 -4.906 -6.045 8.160 1.00 0.00 O ATOM 1452 CB GLN A 92 -6.665 -3.303 8.633 1.00 0.00 C ATOM 1453 CG GLN A 92 -6.491 -2.026 9.438 1.00 0.00 C ATOM 1454 CD GLN A 92 -5.049 -1.782 9.837 1.00 0.00 C ATOM 1455 OE1 GLN A 92 -4.200 -1.514 8.852 1.00 0.00 O flip ATOM 1456 NE2 GLN A 92 -4.702 -1.834 11.017 1.00 0.00 N flip ATOM 0 H GLN A 92 -5.995 -2.234 6.515 1.00 0.00 H new ATOM 0 HA GLN A 92 -4.548 -3.552 8.512 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -7.484 -3.168 7.927 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -6.954 -4.110 9.306 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -6.851 -1.180 8.853 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -7.109 -2.079 10.335 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -5.389 -2.043 11.742 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -3.728 -1.668 11.270 1.00 0.00 H new ATOM 1465 N TYR A 93 -6.185 -5.474 6.393 1.00 0.00 N ATOM 1466 CA TYR A 93 -6.310 -6.842 5.914 1.00 0.00 C ATOM 1467 C TYR A 93 -4.963 -7.337 5.402 1.00 0.00 C ATOM 1468 O TYR A 93 -4.626 -8.513 5.546 1.00 0.00 O ATOM 1469 CB TYR A 93 -7.364 -6.933 4.810 1.00 0.00 C ATOM 1470 CG TYR A 93 -6.810 -7.352 3.465 1.00 0.00 C ATOM 1471 CD1 TYR A 93 -6.429 -8.666 3.223 1.00 0.00 C ATOM 1472 CD2 TYR A 93 -6.675 -6.430 2.434 1.00 0.00 C ATOM 1473 CE1 TYR A 93 -5.930 -9.048 1.991 1.00 0.00 C ATOM 1474 CE2 TYR A 93 -6.176 -6.806 1.202 1.00 0.00 C ATOM 1475 CZ TYR A 93 -5.806 -8.115 0.987 1.00 0.00 C ATOM 1476 OH TYR A 93 -5.315 -8.496 -0.242 1.00 0.00 O ATOM 0 H TYR A 93 -6.670 -4.779 5.826 1.00 0.00 H new ATOM 0 HA TYR A 93 -6.629 -7.474 6.743 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -8.132 -7.644 5.113 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -7.851 -5.963 4.705 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -6.524 -9.400 4.009 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -6.965 -5.403 2.599 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -5.639 -10.074 1.818 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -6.077 -6.077 0.411 1.00 0.00 H new ATOM 0 HH TYR A 93 -5.743 -9.333 -0.520 1.00 0.00 H new ATOM 1486 N HIS A 94 -4.187 -6.427 4.813 1.00 0.00 N ATOM 1487 CA HIS A 94 -2.870 -6.773 4.295 1.00 0.00 C ATOM 1488 C HIS A 94 -1.819 -6.681 5.395 1.00 0.00 C ATOM 1489 O HIS A 94 -0.752 -7.287 5.301 1.00 0.00 O ATOM 1490 CB HIS A 94 -2.503 -5.868 3.120 1.00 0.00 C ATOM 1491 CG HIS A 94 -2.733 -6.506 1.790 1.00 0.00 C ATOM 1492 ND1 HIS A 94 -3.764 -6.142 0.953 1.00 0.00 N ATOM 1493 CD2 HIS A 94 -2.069 -7.502 1.158 1.00 0.00 C ATOM 1494 CE1 HIS A 94 -3.727 -6.887 -0.135 1.00 0.00 C ATOM 1495 NE2 HIS A 94 -2.708 -7.721 -0.038 1.00 0.00 N ATOM 0 H HIS A 94 -4.449 -5.450 4.685 1.00 0.00 H new ATOM 0 HA HIS A 94 -2.900 -7.803 3.939 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -3.087 -4.950 3.181 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -1.454 -5.584 3.203 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -4.449 -5.411 1.144 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -1.199 -8.026 1.525 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -4.415 -6.825 -0.966 1.00 0.00 H new ATOM 1504 N GLN A 95 -2.135 -5.930 6.446 1.00 0.00 N ATOM 1505 CA GLN A 95 -1.225 -5.770 7.575 1.00 0.00 C ATOM 1506 C GLN A 95 -1.288 -6.994 8.482 1.00 0.00 C ATOM 1507 O GLN A 95 -0.260 -7.559 8.857 1.00 0.00 O ATOM 1508 CB GLN A 95 -1.584 -4.519 8.378 1.00 0.00 C ATOM 1509 CG GLN A 95 -1.582 -3.242 7.556 1.00 0.00 C ATOM 1510 CD GLN A 95 -0.645 -2.190 8.116 1.00 0.00 C ATOM 1511 OE1 GLN A 95 0.462 -2.635 8.698 1.00 0.00 O flip ATOM 1512 NE2 GLN A 95 -0.913 -0.991 8.026 1.00 0.00 N flip ATOM 0 H GLN A 95 -3.015 -5.423 6.539 1.00 0.00 H new ATOM 0 HA GLN A 95 -0.212 -5.664 7.186 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -2.571 -4.654 8.821 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -0.877 -4.412 9.201 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -1.291 -3.474 6.532 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -2.594 -2.838 7.516 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -1.776 -0.694 7.570 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -0.272 -0.295 8.407 1.00 0.00 H new ATOM 1521 N TYR A 96 -2.507 -7.395 8.829 1.00 0.00 N ATOM 1522 CA TYR A 96 -2.721 -8.549 9.693 1.00 0.00 C ATOM 1523 C TYR A 96 -2.902 -9.820 8.870 1.00 0.00 C ATOM 1524 O TYR A 96 -1.964 -10.598 8.697 1.00 0.00 O ATOM 1525 CB TYR A 96 -3.950 -8.323 10.574 1.00 0.00 C ATOM 1526 CG TYR A 96 -3.651 -7.553 11.840 1.00 0.00 C ATOM 1527 CD1 TYR A 96 -3.240 -6.228 11.787 1.00 0.00 C ATOM 1528 CD2 TYR A 96 -3.781 -8.151 13.088 1.00 0.00 C ATOM 1529 CE1 TYR A 96 -2.966 -5.519 12.940 1.00 0.00 C ATOM 1530 CE2 TYR A 96 -3.508 -7.448 14.246 1.00 0.00 C ATOM 1531 CZ TYR A 96 -3.101 -6.133 14.166 1.00 0.00 C ATOM 1532 OH TYR A 96 -2.829 -5.429 15.318 1.00 0.00 O ATOM 0 H TYR A 96 -3.364 -6.935 8.523 1.00 0.00 H new ATOM 0 HA TYR A 96 -1.841 -8.670 10.324 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -4.704 -7.785 10.000 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -4.380 -9.289 10.839 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -3.133 -5.743 10.828 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -4.100 -9.181 13.154 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -2.648 -4.489 12.881 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -3.613 -7.926 15.209 1.00 0.00 H new ATOM 0 HH TYR A 96 -2.974 -6.006 16.096 1.00 0.00 H new ATOM 1542 N ASN A 97 -4.115 -10.023 8.367 1.00 0.00 N ATOM 1543 CA ASN A 97 -4.422 -11.199 7.562 1.00 0.00 C ATOM 1544 C ASN A 97 -3.207 -11.634 6.750 1.00 0.00 C ATOM 1545 O ASN A 97 -2.549 -12.621 7.078 1.00 0.00 O ATOM 1546 CB ASN A 97 -5.598 -10.911 6.627 1.00 0.00 C ATOM 1547 CG ASN A 97 -6.906 -11.466 7.156 1.00 0.00 C ATOM 1548 OD1 ASN A 97 -7.178 -12.660 7.042 1.00 0.00 O ATOM 1549 ND2 ASN A 97 -7.725 -10.598 7.739 1.00 0.00 N ATOM 0 H ASN A 97 -4.902 -9.388 8.503 1.00 0.00 H new ATOM 0 HA ASN A 97 -4.695 -12.010 8.238 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -5.693 -9.834 6.488 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -5.393 -11.342 5.647 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -8.620 -10.913 8.114 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -7.459 -9.616 7.812 1.00 0.00 H new ATOM 1556 N GLY A 98 -2.915 -10.890 5.688 1.00 0.00 N ATOM 1557 CA GLY A 98 -1.780 -11.214 4.846 1.00 0.00 C ATOM 1558 C GLY A 98 -2.136 -11.240 3.374 1.00 0.00 C ATOM 1559 O GLY A 98 -1.830 -12.203 2.672 1.00 0.00 O ATOM 0 H GLY A 98 -3.445 -10.069 5.396 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -0.989 -10.483 5.012 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -1.382 -12.186 5.137 1.00 0.00 H new ATOM 1563 N GLY A 99 -2.782 -10.177 2.904 1.00 0.00 N ATOM 1564 CA GLY A 99 -3.165 -10.102 1.506 1.00 0.00 C ATOM 1565 C GLY A 99 -2.024 -10.460 0.576 1.00 0.00 C ATOM 1566 O GLY A 99 -1.422 -9.584 -0.043 1.00 0.00 O ATOM 0 H GLY A 99 -3.047 -9.368 3.465 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -4.003 -10.775 1.325 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -3.512 -9.094 1.280 1.00 0.00 H new ATOM 1570 N GLY A 100 -1.727 -11.752 0.478 1.00 0.00 N ATOM 1571 CA GLY A 100 -0.652 -12.203 -0.386 1.00 0.00 C ATOM 1572 C GLY A 100 0.428 -11.154 -0.566 1.00 0.00 C ATOM 1573 O GLY A 100 1.379 -11.095 0.214 1.00 0.00 O ATOM 0 H GLY A 100 -2.212 -12.495 0.982 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -0.210 -13.107 0.032 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -1.061 -12.469 -1.361 1.00 0.00 H new ATOM 1577 N LEU A 101 0.285 -10.328 -1.596 1.00 0.00 N ATOM 1578 CA LEU A 101 1.259 -9.279 -1.875 1.00 0.00 C ATOM 1579 C LEU A 101 2.678 -9.783 -1.626 1.00 0.00 C ATOM 1580 O LEU A 101 2.902 -10.985 -1.483 1.00 0.00 O ATOM 1581 CB LEU A 101 0.980 -8.051 -1.006 1.00 0.00 C ATOM 1582 CG LEU A 101 -0.058 -7.078 -1.569 1.00 0.00 C ATOM 1583 CD1 LEU A 101 -1.221 -7.833 -2.196 1.00 0.00 C ATOM 1584 CD2 LEU A 101 -0.551 -6.141 -0.477 1.00 0.00 C ATOM 0 H LEU A 101 -0.496 -10.364 -2.252 1.00 0.00 H new ATOM 0 HA LEU A 101 1.169 -8.998 -2.924 1.00 0.00 H new ATOM 0 HB2 LEU A 101 0.644 -8.388 -0.025 1.00 0.00 H new ATOM 0 HB3 LEU A 101 1.915 -7.512 -0.855 1.00 0.00 H new ATOM 0 HG LEU A 101 0.416 -6.481 -2.348 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -1.947 -7.121 -2.590 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -0.852 -8.461 -3.007 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -1.698 -8.458 -1.441 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -1.289 -5.455 -0.892 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -1.007 -6.723 0.323 1.00 0.00 H new ATOM 0 HD23 LEU A 101 0.289 -5.573 -0.079 1.00 0.00 H new ATOM 1596 N VAL A 102 3.632 -8.859 -1.573 1.00 0.00 N ATOM 1597 CA VAL A 102 5.026 -9.217 -1.338 1.00 0.00 C ATOM 1598 C VAL A 102 5.249 -9.624 0.113 1.00 0.00 C ATOM 1599 O VAL A 102 5.985 -10.571 0.396 1.00 0.00 O ATOM 1600 CB VAL A 102 5.977 -8.054 -1.683 1.00 0.00 C ATOM 1601 CG1 VAL A 102 5.306 -7.079 -2.638 1.00 0.00 C ATOM 1602 CG2 VAL A 102 6.436 -7.344 -0.417 1.00 0.00 C ATOM 0 H VAL A 102 3.466 -7.859 -1.689 1.00 0.00 H new ATOM 0 HA VAL A 102 5.248 -10.061 -1.991 1.00 0.00 H new ATOM 0 HB VAL A 102 6.856 -8.464 -2.180 1.00 0.00 H new ATOM 0 HG11 VAL A 102 5.993 -6.265 -2.869 1.00 0.00 H new ATOM 0 HG12 VAL A 102 5.036 -7.598 -3.557 1.00 0.00 H new ATOM 0 HG13 VAL A 102 4.408 -6.674 -2.172 1.00 0.00 H new ATOM 0 HG21 VAL A 102 7.107 -6.526 -0.681 1.00 0.00 H new ATOM 0 HG22 VAL A 102 5.570 -6.947 0.112 1.00 0.00 H new ATOM 0 HG23 VAL A 102 6.961 -8.050 0.226 1.00 0.00 H new ATOM 1612 N THR A 103 4.611 -8.905 1.029 1.00 0.00 N ATOM 1613 CA THR A 103 4.742 -9.190 2.453 1.00 0.00 C ATOM 1614 C THR A 103 3.491 -8.757 3.211 1.00 0.00 C ATOM 1615 O THR A 103 3.531 -8.556 4.426 1.00 0.00 O ATOM 1616 CB THR A 103 5.966 -8.477 3.029 1.00 0.00 C ATOM 1617 OG1 THR A 103 5.728 -7.085 3.133 1.00 0.00 O ATOM 1618 CG2 THR A 103 7.223 -8.668 2.206 1.00 0.00 C ATOM 0 H THR A 103 3.997 -8.120 0.811 1.00 0.00 H new ATOM 0 HA THR A 103 4.867 -10.266 2.570 1.00 0.00 H new ATOM 0 HB THR A 103 6.126 -8.929 4.008 1.00 0.00 H new ATOM 0 HG1 THR A 103 5.384 -6.747 2.280 1.00 0.00 H new ATOM 0 HG21 THR A 103 8.050 -8.134 2.675 1.00 0.00 H new ATOM 0 HG22 THR A 103 7.463 -9.730 2.149 1.00 0.00 H new ATOM 0 HG23 THR A 103 7.063 -8.278 1.201 1.00 0.00 H new ATOM 1626 N ARG A 104 2.384 -8.608 2.491 1.00 0.00 N ATOM 1627 CA ARG A 104 1.128 -8.192 3.104 1.00 0.00 C ATOM 1628 C ARG A 104 1.386 -7.193 4.227 1.00 0.00 C ATOM 1629 O ARG A 104 1.564 -7.577 5.383 1.00 0.00 O ATOM 1630 CB ARG A 104 0.373 -9.406 3.648 1.00 0.00 C ATOM 1631 CG ARG A 104 1.140 -10.176 4.711 1.00 0.00 C ATOM 1632 CD ARG A 104 0.717 -9.763 6.112 1.00 0.00 C ATOM 1633 NE ARG A 104 1.858 -9.629 7.012 1.00 0.00 N ATOM 1634 CZ ARG A 104 1.756 -9.640 8.337 1.00 0.00 C ATOM 1635 NH1 ARG A 104 0.569 -9.780 8.911 1.00 0.00 N ATOM 1636 NH2 ARG A 104 2.841 -9.512 9.088 1.00 0.00 N ATOM 0 H ARG A 104 2.331 -8.769 1.485 1.00 0.00 H new ATOM 0 HA ARG A 104 0.518 -7.710 2.340 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -0.577 -9.074 4.067 1.00 0.00 H new ATOM 0 HB3 ARG A 104 0.140 -10.078 2.822 1.00 0.00 H new ATOM 0 HG2 ARG A 104 0.972 -11.245 4.579 1.00 0.00 H new ATOM 0 HG3 ARG A 104 2.209 -10.003 4.587 1.00 0.00 H new ATOM 0 HD2 ARG A 104 0.180 -8.815 6.064 1.00 0.00 H new ATOM 0 HD3 ARG A 104 0.024 -10.502 6.514 1.00 0.00 H new ATOM 0 HE ARG A 104 2.785 -9.521 6.601 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -0.267 -9.879 8.335 1.00 0.00 H new ATOM 0 HH12 ARG A 104 0.492 -9.788 9.928 1.00 0.00 H new ATOM 0 HH21 ARG A 104 3.755 -9.405 8.649 1.00 0.00 H new ATOM 0 HH22 ARG A 104 2.761 -9.521 10.105 1.00 0.00 H new ATOM 1650 N LEU A 105 1.414 -5.911 3.878 1.00 0.00 N ATOM 1651 CA LEU A 105 1.660 -4.861 4.859 1.00 0.00 C ATOM 1652 C LEU A 105 2.533 -5.364 5.995 1.00 0.00 C ATOM 1653 O LEU A 105 2.245 -5.128 7.168 1.00 0.00 O ATOM 1654 CB LEU A 105 0.342 -4.309 5.402 1.00 0.00 C ATOM 1655 CG LEU A 105 -0.333 -3.288 4.506 1.00 0.00 C ATOM 1656 CD1 LEU A 105 0.450 -3.124 3.223 1.00 0.00 C ATOM 1657 CD2 LEU A 105 -1.758 -3.696 4.211 1.00 0.00 C ATOM 0 H LEU A 105 1.270 -5.575 2.926 1.00 0.00 H new ATOM 0 HA LEU A 105 2.193 -4.054 4.356 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -0.345 -5.140 5.565 1.00 0.00 H new ATOM 0 HB3 LEU A 105 0.528 -3.853 6.374 1.00 0.00 H new ATOM 0 HG LEU A 105 -0.356 -2.330 5.026 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -0.043 -2.389 2.587 1.00 0.00 H new ATOM 0 HD12 LEU A 105 1.460 -2.785 3.454 1.00 0.00 H new ATOM 0 HD13 LEU A 105 0.499 -4.080 2.702 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -2.224 -2.950 3.567 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -1.763 -4.663 3.709 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -2.316 -3.769 5.144 1.00 0.00 H new ATOM 1669 N ARG A 106 3.611 -6.049 5.637 1.00 0.00 N ATOM 1670 CA ARG A 106 4.541 -6.573 6.622 1.00 0.00 C ATOM 1671 C ARG A 106 4.934 -5.483 7.606 1.00 0.00 C ATOM 1672 O ARG A 106 5.138 -5.742 8.793 1.00 0.00 O ATOM 1673 CB ARG A 106 5.790 -7.114 5.930 1.00 0.00 C ATOM 1674 CG ARG A 106 6.660 -7.980 6.827 1.00 0.00 C ATOM 1675 CD ARG A 106 5.820 -8.795 7.797 1.00 0.00 C ATOM 1676 NE ARG A 106 6.644 -9.507 8.769 1.00 0.00 N ATOM 1677 CZ ARG A 106 7.115 -8.952 9.881 1.00 0.00 C ATOM 1678 NH1 ARG A 106 6.844 -7.684 10.159 1.00 0.00 N ATOM 1679 NH2 ARG A 106 7.857 -9.666 10.718 1.00 0.00 N ATOM 0 H ARG A 106 3.861 -6.254 4.670 1.00 0.00 H new ATOM 0 HA ARG A 106 4.053 -7.383 7.164 1.00 0.00 H new ATOM 0 HB2 ARG A 106 5.489 -7.697 5.059 1.00 0.00 H new ATOM 0 HB3 ARG A 106 6.383 -6.276 5.563 1.00 0.00 H new ATOM 0 HG2 ARG A 106 7.263 -8.650 6.214 1.00 0.00 H new ATOM 0 HG3 ARG A 106 7.352 -7.349 7.384 1.00 0.00 H new ATOM 0 HD2 ARG A 106 5.129 -8.135 8.322 1.00 0.00 H new ATOM 0 HD3 ARG A 106 5.216 -9.511 7.240 1.00 0.00 H new ATOM 0 HE ARG A 106 6.871 -10.484 8.585 1.00 0.00 H new ATOM 0 HH11 ARG A 106 6.273 -7.132 9.519 1.00 0.00 H new ATOM 0 HH12 ARG A 106 7.207 -7.260 11.013 1.00 0.00 H new ATOM 0 HH21 ARG A 106 8.067 -10.642 10.508 1.00 0.00 H new ATOM 0 HH22 ARG A 106 8.218 -9.239 11.571 1.00 0.00 H new ATOM 1693 N TYR A 107 5.043 -4.259 7.100 1.00 0.00 N ATOM 1694 CA TYR A 107 5.417 -3.123 7.933 1.00 0.00 C ATOM 1695 C TYR A 107 5.276 -1.812 7.167 1.00 0.00 C ATOM 1696 O TYR A 107 6.171 -1.419 6.418 1.00 0.00 O ATOM 1697 CB TYR A 107 6.853 -3.280 8.423 1.00 0.00 C ATOM 1698 CG TYR A 107 7.336 -2.106 9.238 1.00 0.00 C ATOM 1699 CD1 TYR A 107 6.709 -1.761 10.427 1.00 0.00 C ATOM 1700 CD2 TYR A 107 8.412 -1.339 8.816 1.00 0.00 C ATOM 1701 CE1 TYR A 107 7.141 -0.685 11.174 1.00 0.00 C ATOM 1702 CE2 TYR A 107 8.853 -0.261 9.558 1.00 0.00 C ATOM 1703 CZ TYR A 107 8.214 0.062 10.737 1.00 0.00 C ATOM 1704 OH TYR A 107 8.648 1.136 11.478 1.00 0.00 O ATOM 0 H TYR A 107 4.878 -4.029 6.120 1.00 0.00 H new ATOM 0 HA TYR A 107 4.743 -3.097 8.789 1.00 0.00 H new ATOM 0 HB2 TYR A 107 6.928 -4.186 9.024 1.00 0.00 H new ATOM 0 HB3 TYR A 107 7.511 -3.412 7.564 1.00 0.00 H new ATOM 0 HD1 TYR A 107 5.869 -2.345 10.773 1.00 0.00 H new ATOM 0 HD2 TYR A 107 8.913 -1.589 7.892 1.00 0.00 H new ATOM 0 HE1 TYR A 107 6.641 -0.429 12.097 1.00 0.00 H new ATOM 0 HE2 TYR A 107 9.693 0.326 9.217 1.00 0.00 H new ATOM 0 HH TYR A 107 8.053 1.900 11.326 1.00 0.00 H new ATOM 1714 N PRO A 108 4.144 -1.115 7.344 1.00 0.00 N ATOM 1715 CA PRO A 108 3.886 0.157 6.671 1.00 0.00 C ATOM 1716 C PRO A 108 5.038 1.153 6.842 1.00 0.00 C ATOM 1717 O PRO A 108 5.686 1.195 7.888 1.00 0.00 O ATOM 1718 CB PRO A 108 2.603 0.674 7.343 1.00 0.00 C ATOM 1719 CG PRO A 108 2.407 -0.182 8.548 1.00 0.00 C ATOM 1720 CD PRO A 108 3.024 -1.505 8.208 1.00 0.00 C ATOM 0 HA PRO A 108 3.786 0.033 5.593 1.00 0.00 H new ATOM 0 HB2 PRO A 108 2.701 1.724 7.620 1.00 0.00 H new ATOM 0 HB3 PRO A 108 1.750 0.601 6.668 1.00 0.00 H new ATOM 0 HG2 PRO A 108 2.883 0.259 9.424 1.00 0.00 H new ATOM 0 HG3 PRO A 108 1.348 -0.292 8.783 1.00 0.00 H new ATOM 0 HD2 PRO A 108 3.362 -2.036 9.097 1.00 0.00 H new ATOM 0 HD3 PRO A 108 2.322 -2.161 7.693 1.00 0.00 H new ATOM 1728 N VAL A 109 5.296 1.937 5.795 1.00 0.00 N ATOM 1729 CA VAL A 109 6.366 2.919 5.797 1.00 0.00 C ATOM 1730 C VAL A 109 5.829 4.320 5.540 1.00 0.00 C ATOM 1731 O VAL A 109 4.756 4.487 4.960 1.00 0.00 O ATOM 1732 CB VAL A 109 7.398 2.586 4.715 1.00 0.00 C ATOM 1733 CG1 VAL A 109 8.412 3.707 4.575 1.00 0.00 C ATOM 1734 CG2 VAL A 109 8.069 1.264 5.026 1.00 0.00 C ATOM 0 H VAL A 109 4.766 1.905 4.924 1.00 0.00 H new ATOM 0 HA VAL A 109 6.833 2.889 6.781 1.00 0.00 H new ATOM 0 HB VAL A 109 6.887 2.489 3.757 1.00 0.00 H new ATOM 0 HG11 VAL A 109 9.135 3.449 3.801 1.00 0.00 H new ATOM 0 HG12 VAL A 109 7.900 4.629 4.300 1.00 0.00 H new ATOM 0 HG13 VAL A 109 8.930 3.849 5.523 1.00 0.00 H new ATOM 0 HG21 VAL A 109 8.801 1.036 4.251 1.00 0.00 H new ATOM 0 HG22 VAL A 109 8.571 1.329 5.991 1.00 0.00 H new ATOM 0 HG23 VAL A 109 7.319 0.474 5.060 1.00 0.00 H new ATOM 1744 N CYS A 110 6.582 5.324 5.966 1.00 0.00 N ATOM 1745 CA CYS A 110 6.178 6.707 5.771 1.00 0.00 C ATOM 1746 C CYS A 110 7.388 7.586 5.483 1.00 0.00 C ATOM 1747 O CYS A 110 7.984 8.165 6.391 1.00 0.00 O ATOM 1748 CB CYS A 110 5.431 7.220 7.001 1.00 0.00 C ATOM 1749 SG CYS A 110 5.796 8.938 7.428 1.00 0.00 S ATOM 0 H CYS A 110 7.473 5.206 6.448 1.00 0.00 H new ATOM 0 HA CYS A 110 5.509 6.751 4.911 1.00 0.00 H new ATOM 0 HB2 CYS A 110 4.359 7.120 6.829 1.00 0.00 H new ATOM 0 HB3 CYS A 110 5.678 6.586 7.852 1.00 0.00 H new ATOM 0 HG CYS A 110 7.082 9.127 7.404 1.00 0.00 H new ATOM 1755 N GLY A 111 7.745 7.678 4.207 1.00 0.00 N ATOM 1756 CA GLY A 111 8.883 8.485 3.809 1.00 0.00 C ATOM 1757 C GLY A 111 8.540 9.958 3.703 1.00 0.00 C ATOM 1758 O GLY A 111 9.359 10.817 4.029 1.00 0.00 O ATOM 0 H GLY A 111 7.265 7.207 3.440 1.00 0.00 H new ATOM 0 HA2 GLY A 111 9.688 8.354 4.532 1.00 0.00 H new ATOM 0 HA3 GLY A 111 9.257 8.132 2.848 1.00 0.00 H new HETATM 1762 N NH2 A 112 7.330 10.261 3.246 1.00 0.00 N TER 1765 NH2 A 112