USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 750 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 13 ASN :FLIP amide:sc= -18.4! C(o=-33!,f=-33!) USER MOD Set 1.2: A 110 CYS SG : rot -32:sc= -14.2! USER MOD Set 2.1: A 81 LYS NZ :NH3+ 173:sc= -1.92! (180deg=-3.44!) USER MOD Set 2.2: A 93 TYR OH : rot 63:sc= 1.85 USER MOD Set 2.3: A 97 ASN : amide:sc= -8.41! C(o=-8.5!,f=-14!) USER MOD Set 3.1: A 48 SER OG : rot 180:sc= -2.19! USER MOD Set 3.2: A 63 HIS : no HE2:sc= -12.5! C(o=-15!,f=-15!) USER MOD Set 4.1: A 5 ASN : amide:sc= -0.486 X(o=-0.81,f=-0.4) USER MOD Set 4.2: A 9 TYR OH : rot 180:sc= -0.32 USER MOD Single : A 8 THR OG1 : rot -72:sc= 0.0419 USER MOD Single : A 12 TYR OH : rot -12:sc= -8.13! USER MOD Single : A 14 LYS NZ :NH3+ 142:sc= -1.2 (180deg=-3.67!) USER MOD Single : A 15 SER OG : rot -56:sc= 0.699 USER MOD Single : A 17 SER OG : rot 128:sc= -8.6! USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 133:sc= -4.88! (180deg=-8.64!) USER MOD Single : A 28 THR OG1 : rot 92:sc= -4.37! USER MOD Single : A 30 LYS NZ :NH3+ -157:sc= -1.11! (180deg=-2.06!) USER MOD Single : A 35 MET CE :methyl -115:sc= -16.7! (180deg=-22.7!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.722 USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.414 USER MOD Single : A 52 LYS NZ :NH3+ 151:sc= -0.148 (180deg=-1.67!) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -170:sc= -6.57! (180deg=-7.02!) USER MOD Single : A 64 TYR OH : rot -71:sc= -12.8! USER MOD Single : A 65 HIS : no HD1:sc= -0.136 X(o=-0.14,f=-0.0018) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.681 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 160:sc= -4.04! USER MOD Single : A 92 GLN :FLIP amide:sc= 0 F(o=-1.7,f=0) USER MOD Single : A 94 HIS :FLIP no HE2:sc= -24.3! C(o=-29!,f=-24!) USER MOD Single : A 95 GLN :FLIP amide:sc= -2.85! C(o=-4.4!,f=-2.9!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot -50:sc= 0.393 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 21 N ASN A 5 -2.505 12.036 7.779 1.00 0.00 N ATOM 22 CA ASN A 5 -2.842 11.022 8.772 1.00 0.00 C ATOM 23 C ASN A 5 -2.575 9.622 8.231 1.00 0.00 C ATOM 24 O ASN A 5 -2.945 8.625 8.852 1.00 0.00 O ATOM 25 CB ASN A 5 -4.308 11.150 9.186 1.00 0.00 C ATOM 26 CG ASN A 5 -5.113 11.989 8.212 1.00 0.00 C ATOM 27 OD1 ASN A 5 -5.058 13.219 8.240 1.00 0.00 O ATOM 28 ND2 ASN A 5 -5.867 11.326 7.342 1.00 0.00 N ATOM 0 HA ASN A 5 -2.210 11.181 9.646 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -4.751 10.156 9.257 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -4.365 11.596 10.179 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -6.430 11.837 6.662 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -5.883 10.306 7.354 1.00 0.00 H new ATOM 35 N LEU A 6 -1.929 9.555 7.071 1.00 0.00 N ATOM 36 CA LEU A 6 -1.609 8.278 6.439 1.00 0.00 C ATOM 37 C LEU A 6 -0.707 7.436 7.333 1.00 0.00 C ATOM 38 O LEU A 6 -0.923 6.238 7.512 1.00 0.00 O ATOM 39 CB LEU A 6 -0.919 8.520 5.092 1.00 0.00 C ATOM 40 CG LEU A 6 -1.737 8.152 3.853 1.00 0.00 C ATOM 41 CD1 LEU A 6 -1.693 6.649 3.613 1.00 0.00 C ATOM 42 CD2 LEU A 6 -3.172 8.630 3.997 1.00 0.00 C ATOM 0 H LEU A 6 -1.616 10.372 6.548 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.541 7.735 6.280 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.649 9.574 5.027 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.011 7.951 5.073 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.297 8.651 2.990 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.280 6.405 2.728 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.660 6.335 3.462 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.107 6.130 4.478 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.737 8.359 3.105 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -3.626 8.162 4.871 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.184 9.713 4.118 1.00 0.00 H new ATOM 54 N GLU A 7 0.312 8.081 7.877 1.00 0.00 N ATOM 55 CA GLU A 7 1.281 7.421 8.744 1.00 0.00 C ATOM 56 C GLU A 7 0.660 7.026 10.079 1.00 0.00 C ATOM 57 O GLU A 7 1.245 6.253 10.837 1.00 0.00 O ATOM 58 CB GLU A 7 2.482 8.338 8.984 1.00 0.00 C ATOM 59 CG GLU A 7 2.113 9.668 9.622 1.00 0.00 C ATOM 60 CD GLU A 7 3.037 10.793 9.195 1.00 0.00 C ATOM 61 OE1 GLU A 7 3.163 11.027 7.976 1.00 0.00 O ATOM 62 OE2 GLU A 7 3.631 11.442 10.083 1.00 0.00 O ATOM 0 H GLU A 7 0.493 9.074 7.732 1.00 0.00 H new ATOM 0 HA GLU A 7 1.610 6.511 8.242 1.00 0.00 H new ATOM 0 HB2 GLU A 7 3.199 7.824 9.624 1.00 0.00 H new ATOM 0 HB3 GLU A 7 2.981 8.526 8.033 1.00 0.00 H new ATOM 0 HG2 GLU A 7 1.087 9.923 9.355 1.00 0.00 H new ATOM 0 HG3 GLU A 7 2.145 9.568 10.707 1.00 0.00 H new ATOM 69 N THR A 8 -0.516 7.567 10.370 1.00 0.00 N ATOM 70 CA THR A 8 -1.192 7.269 11.625 1.00 0.00 C ATOM 71 C THR A 8 -2.105 6.057 11.498 1.00 0.00 C ATOM 72 O THR A 8 -2.622 5.555 12.497 1.00 0.00 O ATOM 73 CB THR A 8 -1.994 8.483 12.101 1.00 0.00 C ATOM 74 OG1 THR A 8 -3.383 8.250 11.960 1.00 0.00 O ATOM 75 CG2 THR A 8 -1.661 9.752 11.348 1.00 0.00 C ATOM 0 H THR A 8 -1.018 8.210 9.758 1.00 0.00 H new ATOM 0 HA THR A 8 -0.425 7.034 12.363 1.00 0.00 H new ATOM 0 HB THR A 8 -1.721 8.620 13.147 1.00 0.00 H new ATOM 0 HG1 THR A 8 -3.623 8.267 11.010 1.00 0.00 H new ATOM 0 HG21 THR A 8 -2.264 10.573 11.735 1.00 0.00 H new ATOM 0 HG22 THR A 8 -0.604 9.985 11.478 1.00 0.00 H new ATOM 0 HG23 THR A 8 -1.874 9.613 10.288 1.00 0.00 H new ATOM 83 N TYR A 9 -2.306 5.586 10.275 1.00 0.00 N ATOM 84 CA TYR A 9 -3.158 4.437 10.045 1.00 0.00 C ATOM 85 C TYR A 9 -2.389 3.139 10.242 1.00 0.00 C ATOM 86 O TYR A 9 -1.158 3.127 10.255 1.00 0.00 O ATOM 87 CB TYR A 9 -3.758 4.490 8.643 1.00 0.00 C ATOM 88 CG TYR A 9 -4.780 5.587 8.492 1.00 0.00 C ATOM 89 CD1 TYR A 9 -4.396 6.864 8.117 1.00 0.00 C ATOM 90 CD2 TYR A 9 -6.125 5.348 8.737 1.00 0.00 C ATOM 91 CE1 TYR A 9 -5.324 7.878 7.987 1.00 0.00 C ATOM 92 CE2 TYR A 9 -7.061 6.354 8.611 1.00 0.00 C ATOM 93 CZ TYR A 9 -6.656 7.620 8.235 1.00 0.00 C ATOM 94 OH TYR A 9 -7.587 8.629 8.105 1.00 0.00 O ATOM 0 H TYR A 9 -1.891 5.983 9.432 1.00 0.00 H new ATOM 0 HA TYR A 9 -3.968 4.466 10.774 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -2.960 4.639 7.916 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -4.223 3.531 8.414 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -3.354 7.070 7.923 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.444 4.359 9.031 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -5.009 8.868 7.693 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -8.104 6.153 8.805 1.00 0.00 H new ATOM 0 HH TYR A 9 -8.479 8.280 8.315 1.00 0.00 H new ATOM 104 N GLU A 10 -3.125 2.050 10.411 1.00 0.00 N ATOM 105 CA GLU A 10 -2.525 0.744 10.628 1.00 0.00 C ATOM 106 C GLU A 10 -1.933 0.183 9.349 1.00 0.00 C ATOM 107 O GLU A 10 -1.922 -1.033 9.152 1.00 0.00 O ATOM 108 CB GLU A 10 -3.573 -0.232 11.157 1.00 0.00 C ATOM 109 CG GLU A 10 -3.014 -1.611 11.463 1.00 0.00 C ATOM 110 CD GLU A 10 -3.059 -1.945 12.941 1.00 0.00 C ATOM 111 OE1 GLU A 10 -2.543 -1.142 13.747 1.00 0.00 O ATOM 112 OE2 GLU A 10 -3.607 -3.010 13.293 1.00 0.00 O ATOM 0 H GLU A 10 -4.145 2.047 10.402 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.725 0.869 11.357 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.018 0.180 12.062 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.373 -0.327 10.423 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -3.580 -2.359 10.908 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.983 -1.667 11.113 1.00 0.00 H new ATOM 119 N TRP A 11 -1.459 1.044 8.463 1.00 0.00 N ATOM 120 CA TRP A 11 -0.912 0.549 7.214 1.00 0.00 C ATOM 121 C TRP A 11 0.126 1.470 6.577 1.00 0.00 C ATOM 122 O TRP A 11 0.768 1.075 5.605 1.00 0.00 O ATOM 123 CB TRP A 11 -2.055 0.303 6.238 1.00 0.00 C ATOM 124 CG TRP A 11 -3.224 1.214 6.461 1.00 0.00 C ATOM 125 CD1 TRP A 11 -4.220 1.066 7.383 1.00 0.00 C ATOM 126 CD2 TRP A 11 -3.520 2.414 5.743 1.00 0.00 C ATOM 127 NE1 TRP A 11 -5.113 2.103 7.286 1.00 0.00 N ATOM 128 CE2 TRP A 11 -4.707 2.942 6.280 1.00 0.00 C ATOM 129 CE3 TRP A 11 -2.895 3.092 4.698 1.00 0.00 C ATOM 130 CZ2 TRP A 11 -5.281 4.115 5.803 1.00 0.00 C ATOM 131 CZ3 TRP A 11 -3.466 4.256 4.225 1.00 0.00 C ATOM 132 CH2 TRP A 11 -4.650 4.758 4.777 1.00 0.00 C ATOM 0 H TRP A 11 -1.442 2.057 8.580 1.00 0.00 H new ATOM 0 HA TRP A 11 -0.383 -0.375 7.447 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -1.690 0.433 5.219 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -2.386 -0.732 6.328 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -4.294 0.250 8.087 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -5.942 2.229 7.866 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -1.980 2.713 4.266 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -6.194 4.504 6.229 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -2.991 4.789 3.415 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -5.072 5.671 4.384 1.00 0.00 H new ATOM 143 N TYR A 12 0.316 2.683 7.086 1.00 0.00 N ATOM 144 CA TYR A 12 1.305 3.551 6.468 1.00 0.00 C ATOM 145 C TYR A 12 2.691 3.357 7.069 1.00 0.00 C ATOM 146 O TYR A 12 2.942 3.725 8.216 1.00 0.00 O ATOM 147 CB TYR A 12 0.934 5.029 6.537 1.00 0.00 C ATOM 148 CG TYR A 12 1.930 5.860 5.761 1.00 0.00 C ATOM 149 CD1 TYR A 12 2.917 5.224 5.027 1.00 0.00 C ATOM 150 CD2 TYR A 12 1.895 7.247 5.747 1.00 0.00 C ATOM 151 CE1 TYR A 12 3.845 5.932 4.302 1.00 0.00 C ATOM 152 CE2 TYR A 12 2.824 7.973 5.021 1.00 0.00 C ATOM 153 CZ TYR A 12 3.798 7.309 4.300 1.00 0.00 C ATOM 154 OH TYR A 12 4.728 8.026 3.582 1.00 0.00 O ATOM 0 H TYR A 12 -0.178 3.073 7.889 1.00 0.00 H new ATOM 0 HA TYR A 12 1.321 3.255 5.419 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -0.067 5.178 6.132 1.00 0.00 H new ATOM 0 HB3 TYR A 12 0.910 5.356 7.576 1.00 0.00 H new ATOM 0 HD1 TYR A 12 2.958 4.145 5.024 1.00 0.00 H new ATOM 0 HD2 TYR A 12 1.134 7.767 6.309 1.00 0.00 H new ATOM 0 HE1 TYR A 12 4.606 5.413 3.738 1.00 0.00 H new ATOM 0 HE2 TYR A 12 2.788 9.052 5.018 1.00 0.00 H new ATOM 0 HH TYR A 12 5.451 7.430 3.296 1.00 0.00 H new ATOM 164 N ASN A 13 3.590 2.803 6.267 1.00 0.00 N ATOM 165 CA ASN A 13 4.964 2.583 6.683 1.00 0.00 C ATOM 166 C ASN A 13 5.889 3.502 5.886 1.00 0.00 C ATOM 167 O ASN A 13 6.064 3.326 4.681 1.00 0.00 O ATOM 168 CB ASN A 13 5.348 1.120 6.468 1.00 0.00 C ATOM 169 CG ASN A 13 5.718 0.425 7.762 1.00 0.00 C ATOM 170 OD1 ASN A 13 4.863 -0.488 8.206 1.00 0.00 O flip ATOM 171 ND2 ASN A 13 6.757 0.705 8.360 1.00 0.00 N flip ATOM 0 H ASN A 13 3.387 2.496 5.316 1.00 0.00 H new ATOM 0 HA ASN A 13 5.064 2.812 7.744 1.00 0.00 H new ATOM 0 HB2 ASN A 13 4.516 0.593 6.001 1.00 0.00 H new ATOM 0 HB3 ASN A 13 6.188 1.065 5.776 1.00 0.00 H new ATOM 0 HD21 ASN A 13 7.387 1.414 7.984 1.00 0.00 H new ATOM 0 HD22 ASN A 13 6.988 0.228 9.232 1.00 0.00 H new ATOM 178 N LYS A 14 6.448 4.502 6.559 1.00 0.00 N ATOM 179 CA LYS A 14 7.320 5.470 5.907 1.00 0.00 C ATOM 180 C LYS A 14 8.774 5.009 5.867 1.00 0.00 C ATOM 181 O LYS A 14 9.228 4.256 6.729 1.00 0.00 O ATOM 182 CB LYS A 14 7.228 6.819 6.619 1.00 0.00 C ATOM 183 CG LYS A 14 7.188 8.007 5.671 1.00 0.00 C ATOM 184 CD LYS A 14 6.018 8.927 5.983 1.00 0.00 C ATOM 185 CE LYS A 14 5.825 9.094 7.482 1.00 0.00 C ATOM 186 NZ LYS A 14 7.125 9.182 8.204 1.00 0.00 N ATOM 0 H LYS A 14 6.312 4.663 7.557 1.00 0.00 H new ATOM 0 HA LYS A 14 6.978 5.567 4.877 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.333 6.831 7.241 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.083 6.927 7.287 1.00 0.00 H new ATOM 0 HG2 LYS A 14 8.121 8.565 5.745 1.00 0.00 H new ATOM 0 HG3 LYS A 14 7.110 7.652 4.643 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.188 9.902 5.526 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.108 8.522 5.541 1.00 0.00 H new ATOM 0 HE2 LYS A 14 5.241 9.994 7.675 1.00 0.00 H new ATOM 0 HE3 LYS A 14 5.251 8.253 7.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 7.048 9.875 8.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.367 8.251 8.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.870 9.482 7.543 1.00 0.00 H new ATOM 200 N SER A 15 9.495 5.490 4.860 1.00 0.00 N ATOM 201 CA SER A 15 10.905 5.164 4.686 1.00 0.00 C ATOM 202 C SER A 15 11.121 3.663 4.566 1.00 0.00 C ATOM 203 O SER A 15 11.993 3.097 5.227 1.00 0.00 O ATOM 204 CB SER A 15 11.727 5.718 5.850 1.00 0.00 C ATOM 205 OG SER A 15 13.110 5.474 5.660 1.00 0.00 O ATOM 0 H SER A 15 9.121 6.114 4.145 1.00 0.00 H new ATOM 0 HA SER A 15 11.238 5.628 3.758 1.00 0.00 H new ATOM 0 HB2 SER A 15 11.553 6.790 5.944 1.00 0.00 H new ATOM 0 HB3 SER A 15 11.398 5.259 6.782 1.00 0.00 H new ATOM 0 HG SER A 15 13.258 4.514 5.528 1.00 0.00 H new ATOM 211 N ILE A 16 10.328 3.021 3.720 1.00 0.00 N ATOM 212 CA ILE A 16 10.449 1.584 3.519 1.00 0.00 C ATOM 213 C ILE A 16 10.330 1.209 2.048 1.00 0.00 C ATOM 214 O ILE A 16 11.279 0.717 1.442 1.00 0.00 O ATOM 215 CB ILE A 16 9.385 0.812 4.314 1.00 0.00 C ATOM 216 CG1 ILE A 16 8.559 1.768 5.175 1.00 0.00 C ATOM 217 CG2 ILE A 16 10.040 -0.254 5.179 1.00 0.00 C ATOM 218 CD1 ILE A 16 8.182 1.185 6.515 1.00 0.00 C ATOM 0 H ILE A 16 9.599 3.469 3.165 1.00 0.00 H new ATOM 0 HA ILE A 16 11.440 1.308 3.879 1.00 0.00 H new ATOM 0 HB ILE A 16 8.715 0.321 3.608 1.00 0.00 H new ATOM 0 HG12 ILE A 16 9.125 2.687 5.332 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.652 2.040 4.636 1.00 0.00 H new ATOM 0 HG21 ILE A 16 9.273 -0.792 5.736 1.00 0.00 H new ATOM 0 HG22 ILE A 16 10.585 -0.953 4.545 1.00 0.00 H new ATOM 0 HG23 ILE A 16 10.731 0.218 5.877 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.597 1.913 7.077 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.590 0.282 6.365 1.00 0.00 H new ATOM 0 HD13 ILE A 16 9.086 0.938 7.072 1.00 0.00 H new ATOM 230 N SER A 17 9.145 1.426 1.491 1.00 0.00 N ATOM 231 CA SER A 17 8.872 1.096 0.105 1.00 0.00 C ATOM 232 C SER A 17 7.833 -0.011 0.056 1.00 0.00 C ATOM 233 O SER A 17 7.765 -0.845 0.959 1.00 0.00 O ATOM 234 CB SER A 17 10.150 0.653 -0.611 1.00 0.00 C ATOM 235 OG SER A 17 9.892 0.336 -1.967 1.00 0.00 O ATOM 0 H SER A 17 8.353 1.834 1.987 1.00 0.00 H new ATOM 0 HA SER A 17 8.492 1.981 -0.405 1.00 0.00 H new ATOM 0 HB2 SER A 17 10.895 1.447 -0.555 1.00 0.00 H new ATOM 0 HB3 SER A 17 10.571 -0.216 -0.105 1.00 0.00 H new ATOM 0 HG SER A 17 10.515 0.827 -2.542 1.00 0.00 H new ATOM 241 N ARG A 18 7.018 -0.019 -0.985 1.00 0.00 N ATOM 242 CA ARG A 18 5.991 -1.035 -1.109 1.00 0.00 C ATOM 243 C ARG A 18 6.621 -2.420 -1.077 1.00 0.00 C ATOM 244 O ARG A 18 5.989 -3.395 -0.659 1.00 0.00 O ATOM 245 CB ARG A 18 5.204 -0.843 -2.407 1.00 0.00 C ATOM 246 CG ARG A 18 5.582 -1.825 -3.504 1.00 0.00 C ATOM 247 CD ARG A 18 6.973 -1.548 -4.052 1.00 0.00 C ATOM 248 NE ARG A 18 7.326 -0.134 -3.966 1.00 0.00 N ATOM 249 CZ ARG A 18 8.577 0.312 -3.972 1.00 0.00 C ATOM 250 NH1 ARG A 18 9.588 -0.542 -4.059 1.00 0.00 N ATOM 251 NH2 ARG A 18 8.821 1.614 -3.892 1.00 0.00 N ATOM 0 H ARG A 18 7.047 0.658 -1.747 1.00 0.00 H new ATOM 0 HA ARG A 18 5.303 -0.940 -0.269 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.140 -0.943 -2.194 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.363 0.172 -2.770 1.00 0.00 H new ATOM 0 HG2 ARG A 18 5.541 -2.841 -3.113 1.00 0.00 H new ATOM 0 HG3 ARG A 18 4.854 -1.765 -4.313 1.00 0.00 H new ATOM 0 HD2 ARG A 18 7.704 -2.138 -3.499 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.023 -1.871 -5.092 1.00 0.00 H new ATOM 0 HE ARG A 18 6.571 0.548 -3.898 1.00 0.00 H new ATOM 0 HH11 ARG A 18 9.406 -1.544 -4.122 1.00 0.00 H new ATOM 0 HH12 ARG A 18 10.548 -0.197 -4.063 1.00 0.00 H new ATOM 0 HH21 ARG A 18 8.047 2.275 -3.826 1.00 0.00 H new ATOM 0 HH22 ARG A 18 9.783 1.954 -3.897 1.00 0.00 H new ATOM 265 N ASP A 19 7.880 -2.502 -1.503 1.00 0.00 N ATOM 266 CA ASP A 19 8.578 -3.781 -1.504 1.00 0.00 C ATOM 267 C ASP A 19 8.801 -4.250 -0.080 1.00 0.00 C ATOM 268 O ASP A 19 8.556 -5.412 0.258 1.00 0.00 O ATOM 269 CB ASP A 19 9.921 -3.654 -2.226 1.00 0.00 C ATOM 270 CG ASP A 19 10.475 -4.999 -2.658 1.00 0.00 C ATOM 271 OD1 ASP A 19 9.669 -5.898 -2.978 1.00 0.00 O ATOM 272 OD2 ASP A 19 11.715 -5.151 -2.674 1.00 0.00 O ATOM 0 H ASP A 19 8.427 -1.712 -1.846 1.00 0.00 H new ATOM 0 HA ASP A 19 7.965 -4.513 -2.030 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.801 -3.016 -3.101 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.639 -3.163 -1.569 1.00 0.00 H new ATOM 277 N LYS A 20 9.193 -3.315 0.770 1.00 0.00 N ATOM 278 CA LYS A 20 9.390 -3.611 2.175 1.00 0.00 C ATOM 279 C LYS A 20 8.034 -3.847 2.781 1.00 0.00 C ATOM 280 O LYS A 20 7.807 -4.838 3.480 1.00 0.00 O ATOM 281 CB LYS A 20 10.113 -2.463 2.877 1.00 0.00 C ATOM 282 CG LYS A 20 11.482 -2.170 2.288 1.00 0.00 C ATOM 283 CD LYS A 20 12.466 -1.725 3.353 1.00 0.00 C ATOM 284 CE LYS A 20 13.132 -0.417 2.971 1.00 0.00 C ATOM 285 NZ LYS A 20 14.612 -0.477 3.134 1.00 0.00 N ATOM 0 H LYS A 20 9.380 -2.347 0.510 1.00 0.00 H new ATOM 0 HA LYS A 20 10.015 -4.496 2.293 1.00 0.00 H new ATOM 0 HB2 LYS A 20 9.499 -1.565 2.817 1.00 0.00 H new ATOM 0 HB3 LYS A 20 10.223 -2.704 3.934 1.00 0.00 H new ATOM 0 HG2 LYS A 20 11.863 -3.062 1.790 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.393 -1.394 1.528 1.00 0.00 H new ATOM 0 HD2 LYS A 20 11.948 -1.608 4.305 1.00 0.00 H new ATOM 0 HD3 LYS A 20 13.225 -2.495 3.496 1.00 0.00 H new ATOM 0 HE2 LYS A 20 12.891 -0.176 1.936 1.00 0.00 H new ATOM 0 HE3 LYS A 20 12.731 0.388 3.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 15.028 0.436 2.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 14.844 -0.682 4.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 14.998 -1.228 2.526 1.00 0.00 H new ATOM 299 N ALA A 21 7.121 -2.948 2.439 1.00 0.00 N ATOM 300 CA ALA A 21 5.748 -3.053 2.876 1.00 0.00 C ATOM 301 C ALA A 21 5.257 -4.455 2.550 1.00 0.00 C ATOM 302 O ALA A 21 4.677 -5.157 3.388 1.00 0.00 O ATOM 303 CB ALA A 21 4.897 -2.005 2.178 1.00 0.00 C ATOM 0 H ALA A 21 7.315 -2.134 1.856 1.00 0.00 H new ATOM 0 HA ALA A 21 5.674 -2.878 3.949 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.864 -2.092 2.514 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.274 -1.011 2.419 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.942 -2.159 1.100 1.00 0.00 H new ATOM 309 N GLU A 22 5.533 -4.868 1.318 1.00 0.00 N ATOM 310 CA GLU A 22 5.163 -6.191 0.865 1.00 0.00 C ATOM 311 C GLU A 22 5.935 -7.254 1.634 1.00 0.00 C ATOM 312 O GLU A 22 5.352 -8.234 2.100 1.00 0.00 O ATOM 313 CB GLU A 22 5.417 -6.332 -0.638 1.00 0.00 C ATOM 314 CG GLU A 22 5.274 -7.757 -1.150 1.00 0.00 C ATOM 315 CD GLU A 22 3.879 -8.055 -1.661 1.00 0.00 C ATOM 316 OE1 GLU A 22 3.067 -7.110 -1.756 1.00 0.00 O ATOM 317 OE2 GLU A 22 3.598 -9.233 -1.966 1.00 0.00 O ATOM 0 H GLU A 22 6.012 -4.300 0.619 1.00 0.00 H new ATOM 0 HA GLU A 22 4.099 -6.333 1.052 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.721 -5.690 -1.177 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.421 -5.973 -0.863 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.994 -7.925 -1.951 1.00 0.00 H new ATOM 0 HG3 GLU A 22 5.520 -8.454 -0.349 1.00 0.00 H new ATOM 324 N LYS A 23 7.247 -7.063 1.770 1.00 0.00 N ATOM 325 CA LYS A 23 8.068 -8.038 2.489 1.00 0.00 C ATOM 326 C LYS A 23 7.593 -8.195 3.921 1.00 0.00 C ATOM 327 O LYS A 23 7.340 -9.304 4.387 1.00 0.00 O ATOM 328 CB LYS A 23 9.548 -7.647 2.487 1.00 0.00 C ATOM 329 CG LYS A 23 9.963 -6.789 1.311 1.00 0.00 C ATOM 330 CD LYS A 23 9.708 -7.487 -0.020 1.00 0.00 C ATOM 331 CE LYS A 23 8.227 -7.744 -0.255 1.00 0.00 C ATOM 332 NZ LYS A 23 7.969 -8.281 -1.621 1.00 0.00 N ATOM 0 H LYS A 23 7.756 -6.260 1.401 1.00 0.00 H new ATOM 0 HA LYS A 23 7.960 -8.988 1.965 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.772 -7.111 3.410 1.00 0.00 H new ATOM 0 HB3 LYS A 23 10.152 -8.555 2.491 1.00 0.00 H new ATOM 0 HG2 LYS A 23 9.415 -5.847 1.338 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.022 -6.545 1.396 1.00 0.00 H new ATOM 0 HD2 LYS A 23 10.103 -6.876 -0.831 1.00 0.00 H new ATOM 0 HD3 LYS A 23 10.248 -8.434 -0.042 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.858 -8.450 0.489 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.671 -6.817 -0.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.331 -9.100 -1.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.528 -7.543 -2.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.868 -8.575 -2.054 1.00 0.00 H new ATOM 346 N LEU A 24 7.472 -7.080 4.616 1.00 0.00 N ATOM 347 CA LEU A 24 7.019 -7.113 5.996 1.00 0.00 C ATOM 348 C LEU A 24 5.544 -7.498 6.085 1.00 0.00 C ATOM 349 O LEU A 24 5.161 -8.311 6.926 1.00 0.00 O ATOM 350 CB LEU A 24 7.259 -5.771 6.691 1.00 0.00 C ATOM 351 CG LEU A 24 6.206 -4.702 6.415 1.00 0.00 C ATOM 352 CD1 LEU A 24 6.121 -4.429 4.930 1.00 0.00 C ATOM 353 CD2 LEU A 24 4.847 -5.126 6.957 1.00 0.00 C ATOM 0 H LEU A 24 7.678 -6.149 4.254 1.00 0.00 H new ATOM 0 HA LEU A 24 7.604 -7.875 6.511 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.309 -5.940 7.767 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.232 -5.389 6.383 1.00 0.00 H new ATOM 0 HG LEU A 24 6.502 -3.786 6.926 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.367 -3.665 4.743 1.00 0.00 H new ATOM 0 HD12 LEU A 24 7.088 -4.080 4.568 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.847 -5.345 4.407 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.113 -4.348 6.748 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.538 -6.055 6.477 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.917 -5.279 8.034 1.00 0.00 H new ATOM 365 N LEU A 25 4.711 -6.896 5.232 1.00 0.00 N ATOM 366 CA LEU A 25 3.282 -7.176 5.257 1.00 0.00 C ATOM 367 C LEU A 25 2.952 -8.563 4.717 1.00 0.00 C ATOM 368 O LEU A 25 2.155 -9.291 5.310 1.00 0.00 O ATOM 369 CB LEU A 25 2.508 -6.093 4.506 1.00 0.00 C ATOM 370 CG LEU A 25 2.429 -6.263 2.993 1.00 0.00 C ATOM 371 CD1 LEU A 25 1.126 -6.945 2.608 1.00 0.00 C ATOM 372 CD2 LEU A 25 2.551 -4.911 2.307 1.00 0.00 C ATOM 0 H LEU A 25 5.001 -6.220 4.525 1.00 0.00 H new ATOM 0 HA LEU A 25 2.969 -7.165 6.301 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.493 -6.057 4.902 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.968 -5.129 4.721 1.00 0.00 H new ATOM 0 HG LEU A 25 3.256 -6.892 2.664 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.082 -7.060 1.525 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.076 -7.926 3.080 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.285 -6.338 2.943 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.493 -5.045 1.227 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.740 -4.261 2.636 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.507 -4.457 2.566 1.00 0.00 H new ATOM 384 N LEU A 26 3.563 -8.933 3.602 1.00 0.00 N ATOM 385 CA LEU A 26 3.316 -10.244 3.010 1.00 0.00 C ATOM 386 C LEU A 26 3.734 -11.350 3.973 1.00 0.00 C ATOM 387 O LEU A 26 3.152 -12.433 3.989 1.00 0.00 O ATOM 388 CB LEU A 26 4.053 -10.395 1.678 1.00 0.00 C ATOM 389 CG LEU A 26 5.366 -11.171 1.747 1.00 0.00 C ATOM 390 CD1 LEU A 26 6.092 -11.114 0.412 1.00 0.00 C ATOM 391 CD2 LEU A 26 6.246 -10.622 2.857 1.00 0.00 C ATOM 0 H LEU A 26 4.228 -8.352 3.091 1.00 0.00 H new ATOM 0 HA LEU A 26 2.247 -10.330 2.818 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.392 -10.893 0.969 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.257 -9.401 1.279 1.00 0.00 H new ATOM 0 HG LEU A 26 5.140 -12.214 1.968 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.025 -11.673 0.481 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.463 -11.552 -0.363 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.308 -10.076 0.160 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.179 -11.185 2.894 1.00 0.00 H new ATOM 0 HD22 LEU A 26 6.464 -9.572 2.663 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.728 -10.715 3.812 1.00 0.00 H new ATOM 403 N ASP A 27 4.751 -11.057 4.772 1.00 0.00 N ATOM 404 CA ASP A 27 5.273 -12.008 5.747 1.00 0.00 C ATOM 405 C ASP A 27 4.244 -12.310 6.829 1.00 0.00 C ATOM 406 O ASP A 27 4.184 -13.423 7.349 1.00 0.00 O ATOM 407 CB ASP A 27 6.553 -11.465 6.384 1.00 0.00 C ATOM 408 CG ASP A 27 6.903 -12.177 7.676 1.00 0.00 C ATOM 409 OD1 ASP A 27 6.379 -11.773 8.736 1.00 0.00 O ATOM 410 OD2 ASP A 27 7.700 -13.136 7.628 1.00 0.00 O ATOM 0 H ASP A 27 5.236 -10.160 4.764 1.00 0.00 H new ATOM 0 HA ASP A 27 5.498 -12.936 5.221 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.378 -11.569 5.680 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.434 -10.399 6.580 1.00 0.00 H new ATOM 415 N THR A 28 3.447 -11.308 7.169 1.00 0.00 N ATOM 416 CA THR A 28 2.427 -11.457 8.199 1.00 0.00 C ATOM 417 C THR A 28 1.458 -12.572 7.839 1.00 0.00 C ATOM 418 O THR A 28 0.933 -13.260 8.715 1.00 0.00 O ATOM 419 CB THR A 28 1.668 -10.144 8.392 1.00 0.00 C ATOM 420 OG1 THR A 28 2.279 -9.099 7.657 1.00 0.00 O ATOM 421 CG2 THR A 28 1.593 -9.705 9.838 1.00 0.00 C ATOM 0 H THR A 28 3.486 -10.381 6.746 1.00 0.00 H new ATOM 0 HA THR A 28 2.923 -11.717 9.134 1.00 0.00 H new ATOM 0 HB THR A 28 0.657 -10.339 8.035 1.00 0.00 H new ATOM 0 HG1 THR A 28 1.862 -9.034 6.773 1.00 0.00 H new ATOM 0 HG21 THR A 28 1.042 -8.767 9.905 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.082 -10.469 10.424 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.601 -9.562 10.228 1.00 0.00 H new ATOM 429 N GLY A 29 1.232 -12.752 6.547 1.00 0.00 N ATOM 430 CA GLY A 29 0.335 -13.798 6.096 1.00 0.00 C ATOM 431 C GLY A 29 -1.112 -13.536 6.467 1.00 0.00 C ATOM 432 O GLY A 29 -1.886 -14.472 6.662 1.00 0.00 O ATOM 0 H GLY A 29 1.652 -12.195 5.803 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.415 -13.896 5.013 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.649 -14.749 6.526 1.00 0.00 H new ATOM 436 N LYS A 30 -1.479 -12.264 6.558 1.00 0.00 N ATOM 437 CA LYS A 30 -2.846 -11.889 6.899 1.00 0.00 C ATOM 438 C LYS A 30 -3.633 -11.543 5.648 1.00 0.00 C ATOM 439 O LYS A 30 -3.366 -10.527 5.007 1.00 0.00 O ATOM 440 CB LYS A 30 -2.863 -10.685 7.838 1.00 0.00 C ATOM 441 CG LYS A 30 -1.494 -10.322 8.391 1.00 0.00 C ATOM 442 CD LYS A 30 -1.582 -9.860 9.837 1.00 0.00 C ATOM 443 CE LYS A 30 -2.589 -10.681 10.625 1.00 0.00 C ATOM 444 NZ LYS A 30 -3.966 -10.122 10.518 1.00 0.00 N ATOM 0 H LYS A 30 -0.851 -11.476 6.401 1.00 0.00 H new ATOM 0 HA LYS A 30 -3.305 -12.743 7.397 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -3.269 -9.825 7.305 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -3.537 -10.893 8.669 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -0.832 -11.186 8.323 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -1.052 -9.533 7.782 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -0.601 -9.939 10.305 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -1.866 -8.808 9.867 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -2.585 -11.708 10.260 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -2.291 -10.713 11.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -4.532 -10.435 11.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -3.919 -9.083 10.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -4.409 -10.457 9.639 1.00 0.00 H new ATOM 458 N GLU A 31 -4.610 -12.369 5.304 1.00 0.00 N ATOM 459 CA GLU A 31 -5.414 -12.089 4.130 1.00 0.00 C ATOM 460 C GLU A 31 -5.857 -10.636 4.174 1.00 0.00 C ATOM 461 O GLU A 31 -6.471 -10.196 5.146 1.00 0.00 O ATOM 462 CB GLU A 31 -6.635 -13.010 4.082 1.00 0.00 C ATOM 463 CG GLU A 31 -7.905 -12.365 4.611 1.00 0.00 C ATOM 464 CD GLU A 31 -9.003 -13.374 4.878 1.00 0.00 C ATOM 465 OE1 GLU A 31 -9.014 -14.432 4.213 1.00 0.00 O ATOM 466 OE2 GLU A 31 -9.855 -13.108 5.752 1.00 0.00 O ATOM 0 H GLU A 31 -4.860 -13.219 5.809 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.820 -12.268 3.234 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.800 -13.327 3.052 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -6.425 -13.908 4.662 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.679 -11.828 5.532 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.261 -11.628 3.891 1.00 0.00 H new ATOM 473 N GLY A 32 -5.529 -9.887 3.133 1.00 0.00 N ATOM 474 CA GLY A 32 -5.892 -8.495 3.099 1.00 0.00 C ATOM 475 C GLY A 32 -4.961 -7.644 3.931 1.00 0.00 C ATOM 476 O GLY A 32 -5.338 -6.559 4.372 1.00 0.00 O ATOM 0 H GLY A 32 -5.019 -10.221 2.315 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -5.880 -8.143 2.068 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.912 -8.378 3.464 1.00 0.00 H new ATOM 480 N ALA A 33 -3.737 -8.120 4.147 1.00 0.00 N ATOM 481 CA ALA A 33 -2.782 -7.350 4.938 1.00 0.00 C ATOM 482 C ALA A 33 -2.201 -6.233 4.086 1.00 0.00 C ATOM 483 O ALA A 33 -1.560 -6.497 3.071 1.00 0.00 O ATOM 484 CB ALA A 33 -1.675 -8.259 5.458 1.00 0.00 C ATOM 0 H ALA A 33 -3.389 -9.012 3.795 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.294 -6.912 5.795 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.969 -7.673 6.046 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.109 -9.039 6.083 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.154 -8.716 4.617 1.00 0.00 H new ATOM 490 N PHE A 34 -2.438 -4.981 4.478 1.00 0.00 N ATOM 491 CA PHE A 34 -1.932 -3.865 3.698 1.00 0.00 C ATOM 492 C PHE A 34 -1.095 -2.862 4.479 1.00 0.00 C ATOM 493 O PHE A 34 -1.107 -2.814 5.708 1.00 0.00 O ATOM 494 CB PHE A 34 -3.070 -3.153 2.970 1.00 0.00 C ATOM 495 CG PHE A 34 -4.207 -2.725 3.849 1.00 0.00 C ATOM 496 CD1 PHE A 34 -4.022 -1.811 4.872 1.00 0.00 C ATOM 497 CD2 PHE A 34 -5.479 -3.222 3.629 1.00 0.00 C ATOM 498 CE1 PHE A 34 -5.080 -1.403 5.658 1.00 0.00 C ATOM 499 CE2 PHE A 34 -6.538 -2.820 4.414 1.00 0.00 C ATOM 500 CZ PHE A 34 -6.340 -1.910 5.429 1.00 0.00 C ATOM 0 H PHE A 34 -2.965 -4.723 5.312 1.00 0.00 H new ATOM 0 HA PHE A 34 -1.249 -4.314 2.977 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -2.667 -2.274 2.467 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.457 -3.815 2.195 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.036 -1.412 5.057 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -5.644 -3.933 2.833 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.921 -0.688 6.451 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -7.525 -3.219 4.233 1.00 0.00 H new ATOM 0 HZ PHE A 34 -7.170 -1.595 6.043 1.00 0.00 H new ATOM 510 N MET A 35 -0.399 -2.042 3.701 1.00 0.00 N ATOM 511 CA MET A 35 0.448 -0.969 4.199 1.00 0.00 C ATOM 512 C MET A 35 0.643 0.034 3.066 1.00 0.00 C ATOM 513 O MET A 35 0.740 -0.362 1.908 1.00 0.00 O ATOM 514 CB MET A 35 1.794 -1.512 4.674 1.00 0.00 C ATOM 515 CG MET A 35 2.912 -1.292 3.675 1.00 0.00 C ATOM 516 SD MET A 35 3.355 0.449 3.503 1.00 0.00 S ATOM 517 CE MET A 35 3.812 0.510 1.773 1.00 0.00 C ATOM 0 H MET A 35 -0.409 -2.107 2.683 1.00 0.00 H new ATOM 0 HA MET A 35 -0.024 -0.487 5.055 1.00 0.00 H new ATOM 0 HB2 MET A 35 2.059 -1.034 5.617 1.00 0.00 H new ATOM 0 HB3 MET A 35 1.698 -2.579 4.873 1.00 0.00 H new ATOM 0 HG2 MET A 35 3.790 -1.858 3.987 1.00 0.00 H new ATOM 0 HG3 MET A 35 2.609 -1.684 2.704 1.00 0.00 H new ATOM 0 HE1 MET A 35 4.873 0.744 1.685 1.00 0.00 H new ATOM 0 HE2 MET A 35 3.614 -0.457 1.310 1.00 0.00 H new ATOM 0 HE3 MET A 35 3.228 1.280 1.269 1.00 0.00 H new ATOM 527 N VAL A 36 0.664 1.327 3.369 1.00 0.00 N ATOM 528 CA VAL A 36 0.804 2.329 2.318 1.00 0.00 C ATOM 529 C VAL A 36 2.067 3.157 2.473 1.00 0.00 C ATOM 530 O VAL A 36 2.380 3.629 3.558 1.00 0.00 O ATOM 531 CB VAL A 36 -0.415 3.265 2.298 1.00 0.00 C ATOM 532 CG1 VAL A 36 -1.700 2.454 2.215 1.00 0.00 C ATOM 533 CG2 VAL A 36 -0.414 4.158 3.530 1.00 0.00 C ATOM 0 H VAL A 36 0.588 1.702 4.315 1.00 0.00 H new ATOM 0 HA VAL A 36 0.870 1.785 1.376 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.357 3.902 1.416 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.556 3.129 2.202 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.695 1.856 1.303 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.771 1.795 3.080 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.283 4.816 3.503 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.454 3.540 4.427 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.496 4.758 3.543 1.00 0.00 H new ATOM 543 N ARG A 37 2.782 3.337 1.369 1.00 0.00 N ATOM 544 CA ARG A 37 4.005 4.119 1.367 1.00 0.00 C ATOM 545 C ARG A 37 3.923 5.246 0.341 1.00 0.00 C ATOM 546 O ARG A 37 3.408 5.054 -0.761 1.00 0.00 O ATOM 547 CB ARG A 37 5.212 3.227 1.070 1.00 0.00 C ATOM 548 CG ARG A 37 6.543 3.871 1.418 1.00 0.00 C ATOM 549 CD ARG A 37 7.397 4.087 0.179 1.00 0.00 C ATOM 550 NE ARG A 37 7.692 5.499 -0.044 1.00 0.00 N ATOM 551 CZ ARG A 37 8.498 6.214 0.734 1.00 0.00 C ATOM 552 NH1 ARG A 37 9.083 5.651 1.783 1.00 0.00 N ATOM 553 NH2 ARG A 37 8.721 7.494 0.465 1.00 0.00 N ATOM 0 H ARG A 37 2.531 2.948 0.460 1.00 0.00 H new ATOM 0 HA ARG A 37 4.128 4.558 2.357 1.00 0.00 H new ATOM 0 HB2 ARG A 37 5.111 2.296 1.628 1.00 0.00 H new ATOM 0 HB3 ARG A 37 5.209 2.967 0.012 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.368 4.827 1.912 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.080 3.240 2.126 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.331 3.534 0.281 1.00 0.00 H new ATOM 0 HD3 ARG A 37 6.881 3.683 -0.692 1.00 0.00 H new ATOM 0 HE ARG A 37 7.255 5.962 -0.841 1.00 0.00 H new ATOM 0 HH11 ARG A 37 8.915 4.667 1.994 1.00 0.00 H new ATOM 0 HH12 ARG A 37 9.701 6.202 2.379 1.00 0.00 H new ATOM 0 HH21 ARG A 37 8.273 7.931 -0.340 1.00 0.00 H new ATOM 0 HH22 ARG A 37 9.340 8.041 1.064 1.00 0.00 H new ATOM 567 N ASP A 38 4.433 6.417 0.704 1.00 0.00 N ATOM 568 CA ASP A 38 4.416 7.561 -0.197 1.00 0.00 C ATOM 569 C ASP A 38 5.178 7.243 -1.480 1.00 0.00 C ATOM 570 O ASP A 38 6.406 7.140 -1.474 1.00 0.00 O ATOM 571 CB ASP A 38 5.027 8.788 0.482 1.00 0.00 C ATOM 572 CG ASP A 38 4.176 9.294 1.629 1.00 0.00 C ATOM 573 OD1 ASP A 38 3.338 8.517 2.132 1.00 0.00 O ATOM 574 OD2 ASP A 38 4.346 10.467 2.022 1.00 0.00 O ATOM 0 H ASP A 38 4.861 6.598 1.612 1.00 0.00 H new ATOM 0 HA ASP A 38 3.378 7.780 -0.450 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.021 8.538 0.853 1.00 0.00 H new ATOM 0 HB3 ASP A 38 5.152 9.583 -0.253 1.00 0.00 H new ATOM 663 N TYR A 45 0.974 8.303 -2.843 1.00 0.00 N ATOM 664 CA TYR A 45 1.009 7.239 -1.847 1.00 0.00 C ATOM 665 C TYR A 45 0.613 5.900 -2.465 1.00 0.00 C ATOM 666 O TYR A 45 -0.307 5.831 -3.278 1.00 0.00 O ATOM 667 CB TYR A 45 0.064 7.566 -0.690 1.00 0.00 C ATOM 668 CG TYR A 45 0.408 8.850 0.029 1.00 0.00 C ATOM 669 CD1 TYR A 45 -0.076 10.073 -0.420 1.00 0.00 C ATOM 670 CD2 TYR A 45 1.217 8.840 1.156 1.00 0.00 C ATOM 671 CE1 TYR A 45 0.238 11.248 0.235 1.00 0.00 C ATOM 672 CE2 TYR A 45 1.535 10.010 1.816 1.00 0.00 C ATOM 673 CZ TYR A 45 1.044 11.211 1.353 1.00 0.00 C ATOM 674 OH TYR A 45 1.359 12.380 2.008 1.00 0.00 O ATOM 0 HA TYR A 45 2.030 7.163 -1.472 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -0.954 7.635 -1.072 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.081 6.743 0.025 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -0.708 10.105 -1.295 1.00 0.00 H new ATOM 0 HD2 TYR A 45 1.604 7.901 1.523 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -0.146 12.190 -0.127 1.00 0.00 H new ATOM 0 HE2 TYR A 45 2.166 9.984 2.692 1.00 0.00 H new ATOM 0 HH TYR A 45 1.934 12.180 2.776 1.00 0.00 H new ATOM 684 N THR A 46 1.308 4.839 -2.067 1.00 0.00 N ATOM 685 CA THR A 46 1.017 3.504 -2.578 1.00 0.00 C ATOM 686 C THR A 46 0.639 2.565 -1.438 1.00 0.00 C ATOM 687 O THR A 46 1.322 2.517 -0.412 1.00 0.00 O ATOM 688 CB THR A 46 2.217 2.946 -3.344 1.00 0.00 C ATOM 689 OG1 THR A 46 2.373 3.611 -4.586 1.00 0.00 O ATOM 690 CG2 THR A 46 2.105 1.465 -3.628 1.00 0.00 C ATOM 0 H THR A 46 2.074 4.877 -1.395 1.00 0.00 H new ATOM 0 HA THR A 46 0.172 3.579 -3.263 1.00 0.00 H new ATOM 0 HB THR A 46 3.078 3.113 -2.697 1.00 0.00 H new ATOM 0 HG1 THR A 46 3.147 3.241 -5.060 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.988 1.131 -4.174 1.00 0.00 H new ATOM 0 HG22 THR A 46 2.032 0.919 -2.688 1.00 0.00 H new ATOM 0 HG23 THR A 46 1.215 1.276 -4.228 1.00 0.00 H new ATOM 698 N VAL A 47 -0.454 1.829 -1.618 1.00 0.00 N ATOM 699 CA VAL A 47 -0.925 0.904 -0.600 1.00 0.00 C ATOM 700 C VAL A 47 -0.566 -0.540 -0.939 1.00 0.00 C ATOM 701 O VAL A 47 -0.860 -1.024 -2.031 1.00 0.00 O ATOM 702 CB VAL A 47 -2.449 1.011 -0.397 1.00 0.00 C ATOM 703 CG1 VAL A 47 -2.900 0.109 0.745 1.00 0.00 C ATOM 704 CG2 VAL A 47 -2.854 2.458 -0.139 1.00 0.00 C ATOM 0 H VAL A 47 -1.028 1.857 -2.461 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.422 1.186 0.325 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.944 0.678 -1.309 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.979 0.197 0.874 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.646 -0.925 0.514 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.399 0.409 1.665 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.933 2.514 0.002 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.352 2.822 0.757 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.567 3.074 -0.991 1.00 0.00 H new ATOM 714 N SER A 48 0.064 -1.220 0.014 1.00 0.00 N ATOM 715 CA SER A 48 0.461 -2.612 -0.160 1.00 0.00 C ATOM 716 C SER A 48 -0.434 -3.528 0.663 1.00 0.00 C ATOM 717 O SER A 48 -0.427 -3.464 1.891 1.00 0.00 O ATOM 718 CB SER A 48 1.927 -2.806 0.252 1.00 0.00 C ATOM 719 OG SER A 48 2.533 -3.844 -0.498 1.00 0.00 O ATOM 0 H SER A 48 0.312 -0.825 0.921 1.00 0.00 H new ATOM 0 HA SER A 48 0.353 -2.869 -1.214 1.00 0.00 H new ATOM 0 HB2 SER A 48 2.476 -1.876 0.103 1.00 0.00 H new ATOM 0 HB3 SER A 48 1.982 -3.041 1.315 1.00 0.00 H new ATOM 0 HG SER A 48 3.467 -3.947 -0.219 1.00 0.00 H new ATOM 725 N VAL A 49 -1.205 -4.374 -0.022 1.00 0.00 N ATOM 726 CA VAL A 49 -2.103 -5.303 0.648 1.00 0.00 C ATOM 727 C VAL A 49 -1.760 -6.747 0.314 1.00 0.00 C ATOM 728 O VAL A 49 -1.250 -7.051 -0.771 1.00 0.00 O ATOM 729 CB VAL A 49 -3.576 -5.034 0.305 1.00 0.00 C ATOM 730 CG1 VAL A 49 -3.850 -3.540 0.265 1.00 0.00 C ATOM 731 CG2 VAL A 49 -3.946 -5.702 -1.007 1.00 0.00 C ATOM 0 H VAL A 49 -1.222 -4.432 -1.040 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.965 -5.142 1.717 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.202 -5.465 1.086 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -4.898 -3.369 0.021 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.628 -3.103 1.239 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -3.220 -3.075 -0.493 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.993 -5.501 -1.235 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.319 -5.307 -1.806 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -3.793 -6.778 -0.923 1.00 0.00 H new ATOM 741 N PHE A 50 -2.029 -7.630 1.268 1.00 0.00 N ATOM 742 CA PHE A 50 -1.735 -9.044 1.110 1.00 0.00 C ATOM 743 C PHE A 50 -2.988 -9.893 1.289 1.00 0.00 C ATOM 744 O PHE A 50 -3.574 -9.926 2.376 1.00 0.00 O ATOM 745 CB PHE A 50 -0.667 -9.452 2.123 1.00 0.00 C ATOM 746 CG PHE A 50 -0.396 -10.927 2.172 1.00 0.00 C ATOM 747 CD1 PHE A 50 -0.963 -11.786 1.248 1.00 0.00 C ATOM 748 CD2 PHE A 50 0.434 -11.447 3.149 1.00 0.00 C ATOM 749 CE1 PHE A 50 -0.706 -13.143 1.298 1.00 0.00 C ATOM 750 CE2 PHE A 50 0.694 -12.800 3.205 1.00 0.00 C ATOM 751 CZ PHE A 50 0.124 -13.650 2.278 1.00 0.00 C ATOM 0 H PHE A 50 -2.453 -7.387 2.163 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.365 -9.214 0.099 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.261 -8.931 1.885 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.975 -9.118 3.114 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -1.613 -11.393 0.480 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.883 -10.786 3.876 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.154 -13.806 0.572 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.343 -13.194 3.973 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.327 -14.710 2.319 1.00 0.00 H new ATOM 761 N THR A 51 -3.378 -10.571 0.206 1.00 0.00 N ATOM 762 CA THR A 51 -4.551 -11.435 0.195 1.00 0.00 C ATOM 763 C THR A 51 -4.179 -12.863 0.581 1.00 0.00 C ATOM 764 O THR A 51 -3.138 -13.376 0.170 1.00 0.00 O ATOM 765 CB THR A 51 -5.199 -11.425 -1.191 1.00 0.00 C ATOM 766 OG1 THR A 51 -6.600 -11.249 -1.089 1.00 0.00 O ATOM 767 CG2 THR A 51 -4.951 -12.695 -1.975 1.00 0.00 C ATOM 0 H THR A 51 -2.886 -10.533 -0.686 1.00 0.00 H new ATOM 0 HA THR A 51 -5.261 -11.053 0.928 1.00 0.00 H new ATOM 0 HB THR A 51 -4.735 -10.593 -1.721 1.00 0.00 H new ATOM 0 HG1 THR A 51 -6.995 -11.244 -1.986 1.00 0.00 H new ATOM 0 HG21 THR A 51 -5.437 -12.623 -2.948 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.879 -12.833 -2.115 1.00 0.00 H new ATOM 0 HG23 THR A 51 -5.358 -13.546 -1.428 1.00 0.00 H new ATOM 775 N LYS A 52 -5.037 -13.504 1.368 1.00 0.00 N ATOM 776 CA LYS A 52 -4.796 -14.876 1.803 1.00 0.00 C ATOM 777 C LYS A 52 -5.467 -15.869 0.860 1.00 0.00 C ATOM 778 O LYS A 52 -6.688 -15.865 0.704 1.00 0.00 O ATOM 779 CB LYS A 52 -5.309 -15.083 3.229 1.00 0.00 C ATOM 780 CG LYS A 52 -4.940 -16.434 3.818 1.00 0.00 C ATOM 781 CD LYS A 52 -5.632 -17.570 3.081 1.00 0.00 C ATOM 782 CE LYS A 52 -7.124 -17.314 2.939 1.00 0.00 C ATOM 783 NZ LYS A 52 -7.778 -18.317 2.055 1.00 0.00 N ATOM 0 H LYS A 52 -5.904 -13.096 1.717 1.00 0.00 H new ATOM 0 HA LYS A 52 -3.720 -15.052 1.785 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.909 -14.296 3.868 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -6.394 -14.978 3.235 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -3.860 -16.571 3.768 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.217 -16.461 4.872 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.186 -17.689 2.093 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.472 -18.505 3.618 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -7.592 -17.338 3.923 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -7.284 -16.315 2.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -8.769 -18.440 2.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -7.743 -17.986 1.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -7.279 -19.226 2.133 1.00 0.00 H new ATOM 797 N ALA A 53 -4.661 -16.719 0.232 1.00 0.00 N ATOM 798 CA ALA A 53 -5.172 -17.716 -0.695 1.00 0.00 C ATOM 799 C ALA A 53 -5.498 -19.021 0.023 1.00 0.00 C ATOM 800 O ALA A 53 -4.895 -19.347 1.046 1.00 0.00 O ATOM 801 CB ALA A 53 -4.170 -17.961 -1.812 1.00 0.00 C ATOM 0 H ALA A 53 -3.648 -16.735 0.351 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.095 -17.332 -1.128 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.566 -18.710 -2.498 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -3.993 -17.031 -2.352 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -3.232 -18.318 -1.387 1.00 0.00 H new ATOM 885 N PRO A 59 -1.502 -17.501 -1.331 1.00 0.00 N ATOM 886 CA PRO A 59 -1.836 -16.119 -0.972 1.00 0.00 C ATOM 887 C PRO A 59 -1.212 -15.106 -1.923 1.00 0.00 C ATOM 888 O PRO A 59 -0.032 -15.202 -2.262 1.00 0.00 O ATOM 889 CB PRO A 59 -1.250 -15.968 0.433 1.00 0.00 C ATOM 890 CG PRO A 59 -1.230 -17.352 0.985 1.00 0.00 C ATOM 891 CD PRO A 59 -0.977 -18.262 -0.185 1.00 0.00 C ATOM 0 HA PRO A 59 -2.908 -15.931 -1.024 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -0.248 -15.540 0.400 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -1.860 -15.305 1.047 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -0.450 -17.460 1.739 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -2.177 -17.593 1.469 1.00 0.00 H new ATOM 0 HD2 PRO A 59 0.084 -18.481 -0.301 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -1.489 -19.217 -0.069 1.00 0.00 H new ATOM 899 N CYS A 60 -2.012 -14.135 -2.354 1.00 0.00 N ATOM 900 CA CYS A 60 -1.537 -13.104 -3.269 1.00 0.00 C ATOM 901 C CYS A 60 -1.581 -11.727 -2.614 1.00 0.00 C ATOM 902 O CYS A 60 -2.653 -11.212 -2.298 1.00 0.00 O ATOM 903 CB CYS A 60 -2.378 -13.100 -4.546 1.00 0.00 C ATOM 904 SG CYS A 60 -1.429 -12.802 -6.055 1.00 0.00 S ATOM 0 H CYS A 60 -2.991 -14.041 -2.084 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.502 -13.331 -3.523 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -2.889 -14.059 -4.635 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -3.149 -12.335 -4.458 1.00 0.00 H new ATOM 0 HG CYS A 60 -2.228 -12.820 -7.081 1.00 0.00 H new ATOM 910 N ILE A 61 -0.408 -11.136 -2.419 1.00 0.00 N ATOM 911 CA ILE A 61 -0.303 -9.817 -1.809 1.00 0.00 C ATOM 912 C ILE A 61 0.138 -8.782 -2.837 1.00 0.00 C ATOM 913 O ILE A 61 1.115 -8.992 -3.556 1.00 0.00 O ATOM 914 CB ILE A 61 0.688 -9.826 -0.632 1.00 0.00 C ATOM 915 CG1 ILE A 61 1.088 -8.400 -0.251 1.00 0.00 C ATOM 916 CG2 ILE A 61 1.917 -10.651 -0.984 1.00 0.00 C ATOM 917 CD1 ILE A 61 2.252 -8.342 0.714 1.00 0.00 C ATOM 0 H ILE A 61 0.487 -11.552 -2.676 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.291 -9.551 -1.433 1.00 0.00 H new ATOM 0 HB ILE A 61 0.198 -10.282 0.228 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.347 -7.849 -1.155 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.230 -7.896 0.195 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.610 -10.649 -0.143 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.617 -11.675 -1.204 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.406 -10.221 -1.858 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.484 -7.302 0.942 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.989 -8.865 1.633 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.123 -8.817 0.263 1.00 0.00 H new ATOM 929 N LYS A 62 -0.586 -7.670 -2.914 1.00 0.00 N ATOM 930 CA LYS A 62 -0.254 -6.620 -3.872 1.00 0.00 C ATOM 931 C LYS A 62 -0.513 -5.230 -3.299 1.00 0.00 C ATOM 932 O LYS A 62 -1.267 -5.067 -2.339 1.00 0.00 O ATOM 933 CB LYS A 62 -1.039 -6.818 -5.174 1.00 0.00 C ATOM 934 CG LYS A 62 -1.937 -5.648 -5.541 1.00 0.00 C ATOM 935 CD LYS A 62 -3.378 -5.904 -5.137 1.00 0.00 C ATOM 936 CE LYS A 62 -3.937 -4.752 -4.324 1.00 0.00 C ATOM 937 NZ LYS A 62 -4.796 -3.856 -5.146 1.00 0.00 N ATOM 0 H LYS A 62 -1.399 -7.473 -2.331 1.00 0.00 H new ATOM 0 HA LYS A 62 0.812 -6.693 -4.086 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.335 -6.991 -5.988 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.649 -7.717 -5.085 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.576 -4.743 -5.051 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.885 -5.471 -6.615 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.987 -6.051 -6.029 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -3.437 -6.824 -4.556 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -4.517 -5.145 -3.489 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.115 -4.176 -3.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -5.019 -2.996 -4.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -4.292 -3.595 -6.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -5.678 -4.350 -5.391 1.00 0.00 H new ATOM 951 N HIS A 63 0.121 -4.232 -3.906 1.00 0.00 N ATOM 952 CA HIS A 63 -0.025 -2.846 -3.476 1.00 0.00 C ATOM 953 C HIS A 63 -0.603 -1.990 -4.600 1.00 0.00 C ATOM 954 O HIS A 63 -0.402 -2.285 -5.778 1.00 0.00 O ATOM 955 CB HIS A 63 1.335 -2.286 -3.051 1.00 0.00 C ATOM 956 CG HIS A 63 2.460 -2.735 -3.932 1.00 0.00 C ATOM 957 ND1 HIS A 63 3.423 -3.641 -3.545 1.00 0.00 N ATOM 958 CD2 HIS A 63 2.761 -2.392 -5.210 1.00 0.00 C ATOM 959 CE1 HIS A 63 4.262 -3.814 -4.575 1.00 0.00 C ATOM 960 NE2 HIS A 63 3.905 -3.079 -5.611 1.00 0.00 N ATOM 0 H HIS A 63 0.745 -4.359 -4.703 1.00 0.00 H new ATOM 0 HA HIS A 63 -0.710 -2.819 -2.629 1.00 0.00 H new ATOM 0 HB2 HIS A 63 1.290 -1.197 -3.057 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.542 -2.591 -2.025 1.00 0.00 H new ATOM 0 HD1 HIS A 63 3.486 -4.099 -2.636 1.00 0.00 H new ATOM 0 HD2 HIS A 63 2.203 -1.697 -5.819 1.00 0.00 H new ATOM 0 HE1 HIS A 63 5.120 -4.470 -4.559 1.00 0.00 H new ATOM 968 N TYR A 64 -1.305 -0.918 -4.236 1.00 0.00 N ATOM 969 CA TYR A 64 -1.881 -0.023 -5.232 1.00 0.00 C ATOM 970 C TYR A 64 -1.382 1.401 -5.044 1.00 0.00 C ATOM 971 O TYR A 64 -1.417 1.948 -3.938 1.00 0.00 O ATOM 972 CB TYR A 64 -3.416 -0.028 -5.199 1.00 0.00 C ATOM 973 CG TYR A 64 -4.035 -0.815 -4.070 1.00 0.00 C ATOM 974 CD1 TYR A 64 -3.526 -2.046 -3.688 1.00 0.00 C ATOM 975 CD2 TYR A 64 -5.144 -0.322 -3.392 1.00 0.00 C ATOM 976 CE1 TYR A 64 -4.103 -2.765 -2.661 1.00 0.00 C ATOM 977 CE2 TYR A 64 -5.725 -1.034 -2.365 1.00 0.00 C ATOM 978 CZ TYR A 64 -5.202 -2.253 -2.001 1.00 0.00 C ATOM 979 OH TYR A 64 -5.781 -2.968 -0.979 1.00 0.00 O ATOM 0 H TYR A 64 -1.486 -0.652 -3.268 1.00 0.00 H new ATOM 0 HA TYR A 64 -1.557 -0.397 -6.203 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -3.765 1.003 -5.135 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -3.782 -0.430 -6.144 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -2.665 -2.449 -4.201 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -5.557 0.635 -3.675 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -3.697 -3.724 -2.375 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -6.586 -0.637 -1.849 1.00 0.00 H new ATOM 0 HH TYR A 64 -6.244 -3.749 -1.348 1.00 0.00 H new ATOM 989 N HIS A 65 -0.939 2.003 -6.144 1.00 0.00 N ATOM 990 CA HIS A 65 -0.458 3.367 -6.131 1.00 0.00 C ATOM 991 C HIS A 65 -1.642 4.319 -6.031 1.00 0.00 C ATOM 992 O HIS A 65 -2.520 4.320 -6.893 1.00 0.00 O ATOM 993 CB HIS A 65 0.337 3.649 -7.406 1.00 0.00 C ATOM 994 CG HIS A 65 0.384 5.096 -7.757 1.00 0.00 C ATOM 995 ND1 HIS A 65 -0.021 5.613 -8.966 1.00 0.00 N ATOM 996 CD2 HIS A 65 0.789 6.146 -7.013 1.00 0.00 C ATOM 997 CE1 HIS A 65 0.150 6.940 -8.918 1.00 0.00 C ATOM 998 NE2 HIS A 65 0.640 7.315 -7.754 1.00 0.00 N ATOM 0 H HIS A 65 -0.906 1.556 -7.060 1.00 0.00 H new ATOM 0 HA HIS A 65 0.195 3.515 -5.271 1.00 0.00 H new ATOM 0 HB2 HIS A 65 1.354 3.278 -7.282 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -0.106 3.095 -8.233 1.00 0.00 H new ATOM 0 HD2 HIS A 65 1.168 6.089 -6.003 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -0.083 7.615 -9.728 1.00 0.00 H new ATOM 0 HE2 HIS A 65 0.864 8.265 -7.457 1.00 0.00 H new ATOM 1006 N ILE A 66 -1.678 5.114 -4.969 1.00 0.00 N ATOM 1007 CA ILE A 66 -2.781 6.043 -4.768 1.00 0.00 C ATOM 1008 C ILE A 66 -2.706 7.226 -5.715 1.00 0.00 C ATOM 1009 O ILE A 66 -1.773 8.025 -5.664 1.00 0.00 O ATOM 1010 CB ILE A 66 -2.841 6.578 -3.329 1.00 0.00 C ATOM 1011 CG1 ILE A 66 -2.791 5.427 -2.323 1.00 0.00 C ATOM 1012 CG2 ILE A 66 -4.106 7.403 -3.144 1.00 0.00 C ATOM 1013 CD1 ILE A 66 -3.623 4.230 -2.730 1.00 0.00 C ATOM 0 H ILE A 66 -0.964 5.134 -4.241 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.684 5.467 -4.973 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.975 7.215 -3.150 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.755 5.112 -2.195 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.137 5.787 -1.354 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.147 7.782 -2.123 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.100 8.240 -3.842 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -4.979 6.779 -3.335 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.540 3.453 -1.970 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.666 4.529 -2.830 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.263 3.844 -3.684 1.00 0.00 H new ATOM 1025 N LYS A 67 -3.719 7.347 -6.561 1.00 0.00 N ATOM 1026 CA LYS A 67 -3.795 8.448 -7.501 1.00 0.00 C ATOM 1027 C LYS A 67 -4.445 9.642 -6.817 1.00 0.00 C ATOM 1028 O LYS A 67 -5.573 9.553 -6.330 1.00 0.00 O ATOM 1029 CB LYS A 67 -4.590 8.036 -8.741 1.00 0.00 C ATOM 1030 CG LYS A 67 -4.295 6.618 -9.204 1.00 0.00 C ATOM 1031 CD LYS A 67 -4.739 6.395 -10.640 1.00 0.00 C ATOM 1032 CE LYS A 67 -4.039 5.195 -11.257 1.00 0.00 C ATOM 1033 NZ LYS A 67 -4.900 4.502 -12.255 1.00 0.00 N ATOM 0 H LYS A 67 -4.500 6.693 -6.613 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.791 8.722 -7.823 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.655 8.126 -8.527 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -4.368 8.729 -9.553 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -3.226 6.422 -9.118 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -4.803 5.908 -8.551 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -5.818 6.243 -10.669 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -4.526 7.286 -11.231 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -3.116 5.520 -11.737 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -3.759 4.494 -10.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -4.386 3.690 -12.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.769 4.169 -11.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -5.147 5.163 -13.019 1.00 0.00 H new ATOM 1047 N GLU A 68 -3.715 10.747 -6.753 1.00 0.00 N ATOM 1048 CA GLU A 68 -4.208 11.949 -6.097 1.00 0.00 C ATOM 1049 C GLU A 68 -4.780 12.940 -7.101 1.00 0.00 C ATOM 1050 O GLU A 68 -4.436 12.919 -8.282 1.00 0.00 O ATOM 1051 CB GLU A 68 -3.085 12.611 -5.296 1.00 0.00 C ATOM 1052 CG GLU A 68 -3.341 12.639 -3.799 1.00 0.00 C ATOM 1053 CD GLU A 68 -2.074 12.862 -2.996 1.00 0.00 C ATOM 1054 OE1 GLU A 68 -1.322 13.806 -3.322 1.00 0.00 O ATOM 1055 OE2 GLU A 68 -1.834 12.094 -2.041 1.00 0.00 O ATOM 0 H GLU A 68 -2.779 10.835 -7.148 1.00 0.00 H new ATOM 0 HA GLU A 68 -5.010 11.652 -5.422 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.152 12.080 -5.487 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -2.949 13.632 -5.652 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.056 13.430 -3.571 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.799 11.698 -3.495 1.00 0.00 H new ATOM 1062 N THR A 69 -5.648 13.817 -6.611 1.00 0.00 N ATOM 1063 CA THR A 69 -6.271 14.833 -7.441 1.00 0.00 C ATOM 1064 C THR A 69 -6.554 16.081 -6.612 1.00 0.00 C ATOM 1065 O THR A 69 -6.124 16.178 -5.462 1.00 0.00 O ATOM 1066 CB THR A 69 -7.561 14.298 -8.063 1.00 0.00 C ATOM 1067 OG1 THR A 69 -8.516 15.333 -8.211 1.00 0.00 O ATOM 1068 CG2 THR A 69 -8.201 13.191 -7.253 1.00 0.00 C ATOM 0 H THR A 69 -5.936 13.842 -5.633 1.00 0.00 H new ATOM 0 HA THR A 69 -5.587 15.096 -8.248 1.00 0.00 H new ATOM 0 HB THR A 69 -7.268 13.894 -9.032 1.00 0.00 H new ATOM 0 HG1 THR A 69 -9.333 14.969 -8.612 1.00 0.00 H new ATOM 0 HG21 THR A 69 -9.112 12.857 -7.750 1.00 0.00 H new ATOM 0 HG22 THR A 69 -7.507 12.355 -7.167 1.00 0.00 H new ATOM 0 HG23 THR A 69 -8.446 13.563 -6.258 1.00 0.00 H new ATOM 1149 N ARG A 75 -9.631 13.407 -3.567 1.00 0.00 N ATOM 1150 CA ARG A 75 -8.284 13.783 -3.982 1.00 0.00 C ATOM 1151 C ARG A 75 -7.382 12.562 -4.150 1.00 0.00 C ATOM 1152 O ARG A 75 -6.334 12.646 -4.787 1.00 0.00 O ATOM 1153 CB ARG A 75 -7.673 14.743 -2.967 1.00 0.00 C ATOM 1154 CG ARG A 75 -8.698 15.626 -2.277 1.00 0.00 C ATOM 1155 CD ARG A 75 -9.414 16.528 -3.264 1.00 0.00 C ATOM 1156 NE ARG A 75 -10.310 15.784 -4.145 1.00 0.00 N ATOM 1157 CZ ARG A 75 -10.045 15.542 -5.419 1.00 0.00 C ATOM 1158 NH1 ARG A 75 -8.872 15.880 -5.922 1.00 0.00 N ATOM 1159 NH2 ARG A 75 -10.946 14.946 -6.188 1.00 0.00 N ATOM 0 HA ARG A 75 -8.362 14.276 -4.951 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -7.134 14.168 -2.214 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -6.941 15.374 -3.471 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -9.426 15.002 -1.759 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -8.204 16.235 -1.520 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -9.985 17.279 -2.718 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -8.678 17.062 -3.865 1.00 0.00 H new ATOM 0 HE ARG A 75 -11.186 15.432 -3.758 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -8.172 16.327 -5.329 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -8.665 15.695 -6.903 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -11.848 14.672 -5.798 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -10.737 14.762 -7.169 1.00 0.00 H new ATOM 1173 N TYR A 76 -7.784 11.432 -3.570 1.00 0.00 N ATOM 1174 CA TYR A 76 -6.998 10.208 -3.657 1.00 0.00 C ATOM 1175 C TYR A 76 -7.789 9.090 -4.308 1.00 0.00 C ATOM 1176 O TYR A 76 -8.970 8.900 -4.022 1.00 0.00 O ATOM 1177 CB TYR A 76 -6.559 9.747 -2.270 1.00 0.00 C ATOM 1178 CG TYR A 76 -6.112 10.861 -1.365 1.00 0.00 C ATOM 1179 CD1 TYR A 76 -6.727 12.099 -1.402 1.00 0.00 C ATOM 1180 CD2 TYR A 76 -5.082 10.666 -0.465 1.00 0.00 C ATOM 1181 CE1 TYR A 76 -6.323 13.121 -0.569 1.00 0.00 C ATOM 1182 CE2 TYR A 76 -4.666 11.673 0.377 1.00 0.00 C ATOM 1183 CZ TYR A 76 -5.290 12.905 0.322 1.00 0.00 C ATOM 1184 OH TYR A 76 -4.884 13.919 1.160 1.00 0.00 O ATOM 0 H TYR A 76 -8.648 11.341 -3.036 1.00 0.00 H new ATOM 0 HA TYR A 76 -6.123 10.434 -4.267 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -7.386 9.218 -1.796 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -5.744 9.032 -2.378 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -7.538 12.268 -2.095 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -4.593 9.704 -0.421 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -6.811 14.084 -0.613 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -3.859 11.502 1.074 1.00 0.00 H new ATOM 0 HH TYR A 76 -4.148 13.602 1.724 1.00 0.00 H new ATOM 1194 N TYR A 77 -7.124 8.339 -5.167 1.00 0.00 N ATOM 1195 CA TYR A 77 -7.773 7.217 -5.838 1.00 0.00 C ATOM 1196 C TYR A 77 -6.779 6.181 -6.332 1.00 0.00 C ATOM 1197 O TYR A 77 -5.766 6.513 -6.946 1.00 0.00 O ATOM 1198 CB TYR A 77 -8.606 7.700 -7.027 1.00 0.00 C ATOM 1199 CG TYR A 77 -7.787 8.265 -8.172 1.00 0.00 C ATOM 1200 CD1 TYR A 77 -7.178 9.510 -8.061 1.00 0.00 C ATOM 1201 CD2 TYR A 77 -7.630 7.560 -9.370 1.00 0.00 C ATOM 1202 CE1 TYR A 77 -6.436 10.037 -9.102 1.00 0.00 C ATOM 1203 CE2 TYR A 77 -6.888 8.087 -10.410 1.00 0.00 C ATOM 1204 CZ TYR A 77 -6.294 9.323 -10.272 1.00 0.00 C ATOM 1205 OH TYR A 77 -5.558 9.847 -11.309 1.00 0.00 O ATOM 0 H TYR A 77 -6.145 8.479 -5.418 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.417 6.751 -5.092 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.204 6.868 -7.399 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -9.302 8.464 -6.682 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -7.286 10.075 -7.147 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.095 6.592 -9.484 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -5.969 11.005 -8.998 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -6.774 7.531 -11.329 1.00 0.00 H new ATOM 0 HH TYR A 77 -5.556 9.217 -12.060 1.00 0.00 H new ATOM 1215 N VAL A 78 -7.126 4.917 -6.128 1.00 0.00 N ATOM 1216 CA VAL A 78 -6.315 3.818 -6.621 1.00 0.00 C ATOM 1217 C VAL A 78 -7.187 3.004 -7.552 1.00 0.00 C ATOM 1218 O VAL A 78 -7.330 1.789 -7.420 1.00 0.00 O ATOM 1219 CB VAL A 78 -5.803 2.923 -5.481 1.00 0.00 C ATOM 1220 CG1 VAL A 78 -4.302 3.080 -5.315 1.00 0.00 C ATOM 1221 CG2 VAL A 78 -6.534 3.251 -4.190 1.00 0.00 C ATOM 0 H VAL A 78 -7.965 4.630 -5.624 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.438 4.216 -7.131 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.004 1.882 -5.732 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.957 2.439 -4.504 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.802 2.795 -6.241 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.068 4.119 -5.081 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.163 2.611 -3.389 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.361 4.295 -3.929 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.603 3.082 -4.324 1.00 0.00 H new ATOM 1231 N ALA A 79 -7.774 3.730 -8.488 1.00 0.00 N ATOM 1232 CA ALA A 79 -8.667 3.178 -9.486 1.00 0.00 C ATOM 1233 C ALA A 79 -9.227 4.321 -10.320 1.00 0.00 C ATOM 1234 O ALA A 79 -9.184 5.473 -9.897 1.00 0.00 O ATOM 1235 CB ALA A 79 -9.779 2.378 -8.828 1.00 0.00 C ATOM 0 H ALA A 79 -7.639 4.737 -8.575 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.121 2.493 -10.135 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.438 1.972 -9.595 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.347 1.560 -8.251 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.351 3.027 -8.165 1.00 0.00 H new ATOM 1241 N GLU A 80 -9.746 4.024 -11.494 1.00 0.00 N ATOM 1242 CA GLU A 80 -10.291 5.067 -12.345 1.00 0.00 C ATOM 1243 C GLU A 80 -11.755 5.317 -12.047 1.00 0.00 C ATOM 1244 O GLU A 80 -12.634 5.092 -12.880 1.00 0.00 O ATOM 1245 CB GLU A 80 -10.078 4.731 -13.815 1.00 0.00 C ATOM 1246 CG GLU A 80 -9.292 3.450 -14.034 1.00 0.00 C ATOM 1247 CD GLU A 80 -8.632 3.396 -15.397 1.00 0.00 C ATOM 1248 OE1 GLU A 80 -9.344 3.563 -16.409 1.00 0.00 O ATOM 1249 OE2 GLU A 80 -7.401 3.188 -15.452 1.00 0.00 O ATOM 0 H GLU A 80 -9.803 3.081 -11.879 1.00 0.00 H new ATOM 0 HA GLU A 80 -9.753 5.990 -12.127 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.048 4.641 -14.304 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -9.554 5.557 -14.296 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -8.529 3.360 -13.261 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -9.959 2.595 -13.924 1.00 0.00 H new ATOM 1256 N LYS A 81 -11.990 5.798 -10.841 1.00 0.00 N ATOM 1257 CA LYS A 81 -13.328 6.113 -10.369 1.00 0.00 C ATOM 1258 C LYS A 81 -13.339 6.139 -8.847 1.00 0.00 C ATOM 1259 O LYS A 81 -14.162 6.811 -8.226 1.00 0.00 O ATOM 1260 CB LYS A 81 -14.334 5.090 -10.903 1.00 0.00 C ATOM 1261 CG LYS A 81 -15.648 5.072 -10.141 1.00 0.00 C ATOM 1262 CD LYS A 81 -15.681 3.939 -9.133 1.00 0.00 C ATOM 1263 CE LYS A 81 -14.721 4.196 -7.987 1.00 0.00 C ATOM 1264 NZ LYS A 81 -14.961 3.274 -6.844 1.00 0.00 N ATOM 0 H LYS A 81 -11.256 5.983 -10.157 1.00 0.00 H new ATOM 0 HA LYS A 81 -13.618 7.096 -10.739 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -14.535 5.305 -11.952 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -13.886 4.097 -10.861 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -15.787 6.023 -9.628 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -16.476 4.964 -10.841 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -16.693 3.824 -8.744 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -15.420 3.002 -9.626 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -13.696 4.079 -8.339 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -14.826 5.227 -7.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -14.213 3.401 -6.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -15.885 3.485 -6.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -14.953 2.291 -7.183 1.00 0.00 H new ATOM 1278 N TYR A 82 -12.400 5.403 -8.262 1.00 0.00 N ATOM 1279 CA TYR A 82 -12.265 5.320 -6.812 1.00 0.00 C ATOM 1280 C TYR A 82 -11.378 6.448 -6.290 1.00 0.00 C ATOM 1281 O TYR A 82 -10.202 6.234 -5.996 1.00 0.00 O ATOM 1282 CB TYR A 82 -11.658 3.971 -6.408 1.00 0.00 C ATOM 1283 CG TYR A 82 -12.310 2.767 -7.058 1.00 0.00 C ATOM 1284 CD1 TYR A 82 -12.297 2.595 -8.440 1.00 0.00 C ATOM 1285 CD2 TYR A 82 -12.931 1.794 -6.284 1.00 0.00 C ATOM 1286 CE1 TYR A 82 -12.888 1.492 -9.026 1.00 0.00 C ATOM 1287 CE2 TYR A 82 -13.522 0.689 -6.865 1.00 0.00 C ATOM 1288 CZ TYR A 82 -13.498 0.543 -8.235 1.00 0.00 C ATOM 1289 OH TYR A 82 -14.086 -0.558 -8.816 1.00 0.00 O ATOM 0 H TYR A 82 -11.714 4.850 -8.776 1.00 0.00 H new ATOM 0 HA TYR A 82 -13.259 5.415 -6.375 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -10.598 3.974 -6.660 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -11.728 3.865 -5.325 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -11.818 3.335 -9.063 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -12.952 1.904 -5.210 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -12.872 1.374 -10.099 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -14.001 -0.057 -6.248 1.00 0.00 H new ATOM 0 HH TYR A 82 -14.470 -1.130 -8.119 1.00 0.00 H new ATOM 1299 N VAL A 83 -11.942 7.644 -6.174 1.00 0.00 N ATOM 1300 CA VAL A 83 -11.195 8.793 -5.688 1.00 0.00 C ATOM 1301 C VAL A 83 -11.834 9.364 -4.430 1.00 0.00 C ATOM 1302 O VAL A 83 -13.052 9.526 -4.357 1.00 0.00 O ATOM 1303 CB VAL A 83 -11.097 9.893 -6.762 1.00 0.00 C ATOM 1304 CG1 VAL A 83 -10.037 10.916 -6.384 1.00 0.00 C ATOM 1305 CG2 VAL A 83 -10.798 9.284 -8.123 1.00 0.00 C ATOM 0 H VAL A 83 -12.914 7.842 -6.410 1.00 0.00 H new ATOM 0 HA VAL A 83 -10.189 8.447 -5.451 1.00 0.00 H new ATOM 0 HB VAL A 83 -12.058 10.405 -6.821 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -9.982 11.685 -7.155 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -10.298 11.375 -5.431 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -9.070 10.422 -6.295 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -10.732 10.076 -8.869 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -9.851 8.746 -8.081 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -11.596 8.593 -8.396 1.00 0.00 H new ATOM 1315 N PHE A 84 -11.003 9.655 -3.439 1.00 0.00 N ATOM 1316 CA PHE A 84 -11.482 10.197 -2.175 1.00 0.00 C ATOM 1317 C PHE A 84 -10.460 11.158 -1.566 1.00 0.00 C ATOM 1318 O PHE A 84 -9.270 11.087 -1.874 1.00 0.00 O ATOM 1319 CB PHE A 84 -11.794 9.058 -1.207 1.00 0.00 C ATOM 1320 CG PHE A 84 -12.255 7.807 -1.897 1.00 0.00 C ATOM 1321 CD1 PHE A 84 -11.475 7.212 -2.875 1.00 0.00 C ATOM 1322 CD2 PHE A 84 -13.472 7.229 -1.571 1.00 0.00 C ATOM 1323 CE1 PHE A 84 -11.898 6.062 -3.514 1.00 0.00 C ATOM 1324 CE2 PHE A 84 -13.901 6.080 -2.209 1.00 0.00 C ATOM 1325 CZ PHE A 84 -13.113 5.495 -3.182 1.00 0.00 C ATOM 0 H PHE A 84 -9.992 9.525 -3.486 1.00 0.00 H new ATOM 0 HA PHE A 84 -12.395 10.761 -2.364 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -10.903 8.834 -0.620 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -12.564 9.384 -0.508 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -10.525 7.652 -3.141 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -14.092 7.681 -0.811 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -11.279 5.607 -4.273 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -14.852 5.640 -1.947 1.00 0.00 H new ATOM 0 HZ PHE A 84 -13.446 4.597 -3.681 1.00 0.00 H new ATOM 1335 N ASP A 85 -10.929 12.052 -0.700 1.00 0.00 N ATOM 1336 CA ASP A 85 -10.056 13.023 -0.052 1.00 0.00 C ATOM 1337 C ASP A 85 -9.320 12.401 1.129 1.00 0.00 C ATOM 1338 O ASP A 85 -8.758 13.109 1.964 1.00 0.00 O ATOM 1339 CB ASP A 85 -10.866 14.231 0.422 1.00 0.00 C ATOM 1340 CG ASP A 85 -10.696 14.499 1.904 1.00 0.00 C ATOM 1341 OD1 ASP A 85 -9.668 15.096 2.285 1.00 0.00 O ATOM 1342 OD2 ASP A 85 -11.590 14.110 2.685 1.00 0.00 O ATOM 0 H ASP A 85 -11.910 12.123 -0.431 1.00 0.00 H new ATOM 0 HA ASP A 85 -9.317 13.349 -0.784 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -10.560 15.113 -0.141 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -11.921 14.065 0.205 1.00 0.00 H new ATOM 1347 N SER A 86 -9.327 11.078 1.193 1.00 0.00 N ATOM 1348 CA SER A 86 -8.664 10.364 2.272 1.00 0.00 C ATOM 1349 C SER A 86 -8.265 8.963 1.831 1.00 0.00 C ATOM 1350 O SER A 86 -9.118 8.120 1.552 1.00 0.00 O ATOM 1351 CB SER A 86 -9.574 10.286 3.497 1.00 0.00 C ATOM 1352 OG SER A 86 -9.253 9.164 4.302 1.00 0.00 O ATOM 0 H SER A 86 -9.786 10.477 0.509 1.00 0.00 H new ATOM 0 HA SER A 86 -7.760 10.914 2.536 1.00 0.00 H new ATOM 0 HB2 SER A 86 -9.476 11.199 4.085 1.00 0.00 H new ATOM 0 HB3 SER A 86 -10.614 10.222 3.177 1.00 0.00 H new ATOM 0 HG SER A 86 -9.603 9.300 5.207 1.00 0.00 H new ATOM 1358 N ILE A 87 -6.965 8.709 1.780 1.00 0.00 N ATOM 1359 CA ILE A 87 -6.474 7.401 1.387 1.00 0.00 C ATOM 1360 C ILE A 87 -7.036 6.349 2.330 1.00 0.00 C ATOM 1361 O ILE A 87 -7.479 5.278 1.908 1.00 0.00 O ATOM 1362 CB ILE A 87 -4.935 7.356 1.412 1.00 0.00 C ATOM 1363 CG1 ILE A 87 -4.391 6.856 0.076 1.00 0.00 C ATOM 1364 CG2 ILE A 87 -4.436 6.487 2.550 1.00 0.00 C ATOM 1365 CD1 ILE A 87 -3.727 7.944 -0.729 1.00 0.00 C ATOM 0 H ILE A 87 -6.238 9.388 2.005 1.00 0.00 H new ATOM 0 HA ILE A 87 -6.802 7.199 0.367 1.00 0.00 H new ATOM 0 HB ILE A 87 -4.570 8.370 1.576 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -3.674 6.056 0.258 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -5.207 6.427 -0.505 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -3.346 6.472 2.545 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -4.789 6.891 3.499 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -4.813 5.472 2.425 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -3.360 7.529 -1.668 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -4.449 8.734 -0.938 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -2.892 8.357 -0.163 1.00 0.00 H new ATOM 1377 N PRO A 88 -7.053 6.667 3.628 1.00 0.00 N ATOM 1378 CA PRO A 88 -7.594 5.778 4.654 1.00 0.00 C ATOM 1379 C PRO A 88 -9.082 5.544 4.432 1.00 0.00 C ATOM 1380 O PRO A 88 -9.556 4.406 4.450 1.00 0.00 O ATOM 1381 CB PRO A 88 -7.351 6.537 5.963 1.00 0.00 C ATOM 1382 CG PRO A 88 -6.337 7.579 5.628 1.00 0.00 C ATOM 1383 CD PRO A 88 -6.578 7.934 4.192 1.00 0.00 C ATOM 0 HA PRO A 88 -7.129 4.792 4.647 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -8.272 6.988 6.333 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -6.987 5.869 6.744 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -6.446 8.453 6.271 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -5.325 7.201 5.773 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -7.318 8.727 4.089 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -5.669 8.281 3.702 1.00 0.00 H new ATOM 1391 N LEU A 89 -9.807 6.628 4.174 1.00 0.00 N ATOM 1392 CA LEU A 89 -11.230 6.531 3.899 1.00 0.00 C ATOM 1393 C LEU A 89 -11.396 5.767 2.609 1.00 0.00 C ATOM 1394 O LEU A 89 -12.161 4.804 2.525 1.00 0.00 O ATOM 1395 CB LEU A 89 -11.871 7.918 3.810 1.00 0.00 C ATOM 1396 CG LEU A 89 -12.540 8.265 2.475 1.00 0.00 C ATOM 1397 CD1 LEU A 89 -11.497 8.700 1.458 1.00 0.00 C ATOM 1398 CD2 LEU A 89 -13.351 7.092 1.949 1.00 0.00 C ATOM 0 H LEU A 89 -9.433 7.576 4.150 1.00 0.00 H new ATOM 0 HA LEU A 89 -11.735 6.008 4.711 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -12.617 8.003 4.600 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -11.104 8.665 4.014 1.00 0.00 H new ATOM 0 HG LEU A 89 -13.226 9.095 2.643 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -11.987 8.943 0.515 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.970 9.579 1.830 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -10.785 7.891 1.298 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -13.814 7.366 1.001 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -12.695 6.235 1.798 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -14.126 6.833 2.670 1.00 0.00 H new ATOM 1410 N LEU A 90 -10.613 6.168 1.620 1.00 0.00 N ATOM 1411 CA LEU A 90 -10.612 5.483 0.351 1.00 0.00 C ATOM 1412 C LEU A 90 -10.226 4.042 0.638 1.00 0.00 C ATOM 1413 O LEU A 90 -10.796 3.096 0.083 1.00 0.00 O ATOM 1414 CB LEU A 90 -9.630 6.151 -0.613 1.00 0.00 C ATOM 1415 CG LEU A 90 -8.780 5.200 -1.446 1.00 0.00 C ATOM 1416 CD1 LEU A 90 -8.548 5.775 -2.837 1.00 0.00 C ATOM 1417 CD2 LEU A 90 -7.459 4.933 -0.745 1.00 0.00 C ATOM 0 H LEU A 90 -9.975 6.962 1.677 1.00 0.00 H new ATOM 0 HA LEU A 90 -11.590 5.523 -0.128 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -10.193 6.795 -1.289 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -8.965 6.796 -0.038 1.00 0.00 H new ATOM 0 HG LEU A 90 -9.311 4.254 -1.555 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.939 5.084 -3.420 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -9.507 5.922 -3.334 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.032 6.731 -2.754 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -6.858 4.252 -1.348 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -6.921 5.872 -0.613 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -7.649 4.483 0.230 1.00 0.00 H new ATOM 1429 N ILE A 91 -9.291 3.893 1.583 1.00 0.00 N ATOM 1430 CA ILE A 91 -8.866 2.580 2.029 1.00 0.00 C ATOM 1431 C ILE A 91 -10.082 1.860 2.586 1.00 0.00 C ATOM 1432 O ILE A 91 -10.363 0.714 2.236 1.00 0.00 O ATOM 1433 CB ILE A 91 -7.807 2.672 3.150 1.00 0.00 C ATOM 1434 CG1 ILE A 91 -6.386 2.585 2.591 1.00 0.00 C ATOM 1435 CG2 ILE A 91 -8.036 1.577 4.177 1.00 0.00 C ATOM 1436 CD1 ILE A 91 -6.290 1.893 1.254 1.00 0.00 C ATOM 0 H ILE A 91 -8.820 4.670 2.047 1.00 0.00 H new ATOM 0 HA ILE A 91 -8.426 2.051 1.183 1.00 0.00 H new ATOM 0 HB ILE A 91 -7.915 3.644 3.631 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -5.982 3.593 2.496 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -5.757 2.056 3.307 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -7.284 1.652 4.962 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -9.029 1.689 4.613 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -7.960 0.603 3.693 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -5.250 1.873 0.928 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -6.661 0.872 1.345 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -6.890 2.433 0.521 1.00 0.00 H new ATOM 1448 N GLN A 92 -10.819 2.571 3.442 1.00 0.00 N ATOM 1449 CA GLN A 92 -12.032 2.033 4.034 1.00 0.00 C ATOM 1450 C GLN A 92 -13.050 1.731 2.946 1.00 0.00 C ATOM 1451 O GLN A 92 -13.750 0.721 2.989 1.00 0.00 O ATOM 1452 CB GLN A 92 -12.619 3.018 5.046 1.00 0.00 C ATOM 1453 CG GLN A 92 -14.123 2.889 5.220 1.00 0.00 C ATOM 1454 CD GLN A 92 -14.857 4.182 4.928 1.00 0.00 C ATOM 1455 OE1 GLN A 92 -14.897 4.567 3.658 1.00 0.00 O flip ATOM 1456 NE2 GLN A 92 -15.384 4.829 5.834 1.00 0.00 N flip ATOM 0 H GLN A 92 -10.592 3.521 3.737 1.00 0.00 H new ATOM 0 HA GLN A 92 -11.784 1.109 4.557 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -12.136 2.865 6.011 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -12.384 4.034 4.729 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -14.496 2.107 4.559 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -14.341 2.574 6.241 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -15.329 4.496 6.797 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -15.875 5.697 5.622 1.00 0.00 H new ATOM 1465 N TYR A 93 -13.116 2.625 1.968 1.00 0.00 N ATOM 1466 CA TYR A 93 -14.037 2.475 0.852 1.00 0.00 C ATOM 1467 C TYR A 93 -13.636 1.299 -0.022 1.00 0.00 C ATOM 1468 O TYR A 93 -14.484 0.547 -0.502 1.00 0.00 O ATOM 1469 CB TYR A 93 -14.086 3.752 0.013 1.00 0.00 C ATOM 1470 CG TYR A 93 -14.836 3.585 -1.288 1.00 0.00 C ATOM 1471 CD1 TYR A 93 -14.223 3.021 -2.399 1.00 0.00 C ATOM 1472 CD2 TYR A 93 -16.162 3.989 -1.403 1.00 0.00 C ATOM 1473 CE1 TYR A 93 -14.908 2.864 -3.590 1.00 0.00 C ATOM 1474 CE2 TYR A 93 -16.853 3.836 -2.589 1.00 0.00 C ATOM 1475 CZ TYR A 93 -16.222 3.274 -3.679 1.00 0.00 C ATOM 1476 OH TYR A 93 -16.908 3.119 -4.862 1.00 0.00 O ATOM 0 H TYR A 93 -12.539 3.465 1.926 1.00 0.00 H new ATOM 0 HA TYR A 93 -15.029 2.287 1.262 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -14.556 4.544 0.596 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -13.068 4.076 -0.202 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -13.194 2.700 -2.332 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -16.659 4.429 -0.551 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -14.417 2.423 -4.445 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -17.882 4.155 -2.662 1.00 0.00 H new ATOM 0 HH TYR A 93 -16.973 2.166 -5.080 1.00 0.00 H new ATOM 1486 N HIS A 94 -12.336 1.147 -0.223 1.00 0.00 N ATOM 1487 CA HIS A 94 -11.819 0.058 -1.042 1.00 0.00 C ATOM 1488 C HIS A 94 -12.354 -1.282 -0.550 1.00 0.00 C ATOM 1489 O HIS A 94 -12.457 -2.239 -1.316 1.00 0.00 O ATOM 1490 CB HIS A 94 -10.291 0.050 -1.016 1.00 0.00 C ATOM 1491 CG HIS A 94 -9.675 0.953 -2.033 1.00 0.00 C ATOM 1492 ND1 HIS A 94 -9.516 0.806 -3.369 1.00 0.00 N flip ATOM 1493 CD2 HIS A 94 -9.130 2.177 -1.714 1.00 0.00 C flip ATOM 1494 CE1 HIS A 94 -8.883 1.933 -3.828 1.00 0.00 C flip ATOM 1495 NE2 HIS A 94 -8.662 2.743 -2.811 1.00 0.00 N flip ATOM 0 H HIS A 94 -11.621 1.761 0.167 1.00 0.00 H new ATOM 0 HA HIS A 94 -12.154 0.214 -2.068 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -9.951 0.347 -0.024 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -9.938 -0.968 -1.183 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -9.812 0.007 -3.930 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -9.092 2.606 -0.723 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -8.610 2.126 -4.855 1.00 0.00 H new ATOM 1504 N GLN A 95 -12.701 -1.339 0.731 1.00 0.00 N ATOM 1505 CA GLN A 95 -13.234 -2.558 1.326 1.00 0.00 C ATOM 1506 C GLN A 95 -14.713 -2.395 1.656 1.00 0.00 C ATOM 1507 O GLN A 95 -15.438 -3.377 1.806 1.00 0.00 O ATOM 1508 CB GLN A 95 -12.451 -2.919 2.591 1.00 0.00 C ATOM 1509 CG GLN A 95 -13.328 -3.435 3.721 1.00 0.00 C ATOM 1510 CD GLN A 95 -13.673 -2.357 4.730 1.00 0.00 C ATOM 1511 OE1 GLN A 95 -13.525 -1.100 4.327 1.00 0.00 O flip ATOM 1512 NE2 GLN A 95 -14.066 -2.650 5.858 1.00 0.00 N flip ATOM 0 H GLN A 95 -12.622 -0.554 1.378 1.00 0.00 H new ATOM 0 HA GLN A 95 -13.128 -3.366 0.602 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -11.707 -3.676 2.344 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -11.908 -2.039 2.936 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -14.248 -3.845 3.304 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -12.816 -4.253 4.229 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -14.165 -3.629 6.125 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -14.293 -1.914 6.526 1.00 0.00 H new ATOM 1521 N TYR A 96 -15.151 -1.146 1.764 1.00 0.00 N ATOM 1522 CA TYR A 96 -16.542 -0.850 2.074 1.00 0.00 C ATOM 1523 C TYR A 96 -17.413 -0.969 0.828 1.00 0.00 C ATOM 1524 O TYR A 96 -18.640 -1.014 0.917 1.00 0.00 O ATOM 1525 CB TYR A 96 -16.667 0.553 2.668 1.00 0.00 C ATOM 1526 CG TYR A 96 -18.030 1.177 2.464 1.00 0.00 C ATOM 1527 CD1 TYR A 96 -19.181 0.543 2.916 1.00 0.00 C ATOM 1528 CD2 TYR A 96 -18.166 2.400 1.820 1.00 0.00 C ATOM 1529 CE1 TYR A 96 -20.427 1.109 2.732 1.00 0.00 C ATOM 1530 CE2 TYR A 96 -19.409 2.974 1.632 1.00 0.00 C ATOM 1531 CZ TYR A 96 -20.536 2.325 2.090 1.00 0.00 C ATOM 1532 OH TYR A 96 -21.777 2.892 1.905 1.00 0.00 O ATOM 0 H TYR A 96 -14.562 -0.323 1.641 1.00 0.00 H new ATOM 0 HA TYR A 96 -16.888 -1.578 2.808 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -16.454 0.507 3.736 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -15.911 1.197 2.220 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -19.100 -0.409 3.420 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -17.285 2.911 1.460 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -21.311 0.602 3.089 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -19.497 3.926 1.129 1.00 0.00 H new ATOM 0 HH TYR A 96 -21.679 3.748 1.438 1.00 0.00 H new ATOM 1542 N ASN A 97 -16.769 -1.019 -0.336 1.00 0.00 N ATOM 1543 CA ASN A 97 -17.483 -1.132 -1.598 1.00 0.00 C ATOM 1544 C ASN A 97 -16.862 -2.208 -2.484 1.00 0.00 C ATOM 1545 O ASN A 97 -16.796 -2.060 -3.705 1.00 0.00 O ATOM 1546 CB ASN A 97 -17.487 0.210 -2.331 1.00 0.00 C ATOM 1547 CG ASN A 97 -16.330 0.343 -3.301 1.00 0.00 C ATOM 1548 OD1 ASN A 97 -16.529 0.513 -4.504 1.00 0.00 O ATOM 1549 ND2 ASN A 97 -15.111 0.267 -2.782 1.00 0.00 N ATOM 0 H ASN A 97 -15.754 -0.983 -0.428 1.00 0.00 H new ATOM 0 HA ASN A 97 -18.511 -1.419 -1.377 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -18.426 0.322 -2.873 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -17.441 1.019 -1.602 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -14.293 0.350 -3.386 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -14.992 0.125 -1.779 1.00 0.00 H new ATOM 1556 N GLY A 98 -16.414 -3.291 -1.861 1.00 0.00 N ATOM 1557 CA GLY A 98 -15.806 -4.380 -2.601 1.00 0.00 C ATOM 1558 C GLY A 98 -14.468 -4.000 -3.205 1.00 0.00 C ATOM 1559 O GLY A 98 -13.497 -4.748 -3.101 1.00 0.00 O ATOM 0 H GLY A 98 -16.461 -3.435 -0.852 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -15.671 -5.234 -1.938 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -16.482 -4.697 -3.395 1.00 0.00 H new ATOM 1563 N GLY A 99 -14.418 -2.832 -3.838 1.00 0.00 N ATOM 1564 CA GLY A 99 -13.187 -2.370 -4.452 1.00 0.00 C ATOM 1565 C GLY A 99 -12.555 -3.417 -5.351 1.00 0.00 C ATOM 1566 O GLY A 99 -12.704 -4.616 -5.119 1.00 0.00 O ATOM 0 H GLY A 99 -15.210 -2.196 -3.937 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -13.391 -1.471 -5.034 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -12.479 -2.091 -3.672 1.00 0.00 H new ATOM 1570 N GLY A 100 -11.847 -2.960 -6.379 1.00 0.00 N ATOM 1571 CA GLY A 100 -11.198 -3.875 -7.301 1.00 0.00 C ATOM 1572 C GLY A 100 -9.928 -4.470 -6.726 1.00 0.00 C ATOM 1573 O GLY A 100 -9.653 -5.658 -6.898 1.00 0.00 O ATOM 0 H GLY A 100 -11.711 -1.971 -6.590 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -11.889 -4.678 -7.558 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -10.963 -3.349 -8.226 1.00 0.00 H new ATOM 1577 N LEU A 101 -9.152 -3.638 -6.040 1.00 0.00 N ATOM 1578 CA LEU A 101 -7.901 -4.074 -5.429 1.00 0.00 C ATOM 1579 C LEU A 101 -8.036 -5.469 -4.827 1.00 0.00 C ATOM 1580 O LEU A 101 -9.117 -6.057 -4.831 1.00 0.00 O ATOM 1581 CB LEU A 101 -7.475 -3.080 -4.348 1.00 0.00 C ATOM 1582 CG LEU A 101 -8.618 -2.265 -3.739 1.00 0.00 C ATOM 1583 CD1 LEU A 101 -9.922 -3.044 -3.796 1.00 0.00 C ATOM 1584 CD2 LEU A 101 -8.292 -1.879 -2.305 1.00 0.00 C ATOM 0 H LEU A 101 -9.369 -2.652 -5.892 1.00 0.00 H new ATOM 0 HA LEU A 101 -7.140 -4.113 -6.208 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -6.972 -3.626 -3.550 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -6.744 -2.393 -4.774 1.00 0.00 H new ATOM 0 HG LEU A 101 -8.737 -1.353 -4.324 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -10.722 -2.447 -3.358 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -10.165 -3.271 -4.834 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -9.815 -3.974 -3.237 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -9.116 -1.300 -1.888 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -8.144 -2.780 -1.710 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -7.382 -1.280 -2.288 1.00 0.00 H new ATOM 1596 N VAL A 102 -6.929 -5.992 -4.303 1.00 0.00 N ATOM 1597 CA VAL A 102 -6.924 -7.317 -3.691 1.00 0.00 C ATOM 1598 C VAL A 102 -7.959 -7.405 -2.577 1.00 0.00 C ATOM 1599 O VAL A 102 -7.853 -6.717 -1.562 1.00 0.00 O ATOM 1600 CB VAL A 102 -5.537 -7.669 -3.117 1.00 0.00 C ATOM 1601 CG1 VAL A 102 -5.608 -7.856 -1.608 1.00 0.00 C ATOM 1602 CG2 VAL A 102 -4.984 -8.916 -3.790 1.00 0.00 C ATOM 0 H VAL A 102 -6.026 -5.518 -4.290 1.00 0.00 H new ATOM 0 HA VAL A 102 -7.173 -8.031 -4.476 1.00 0.00 H new ATOM 0 HB VAL A 102 -4.860 -6.839 -3.322 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -4.618 -8.104 -1.225 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -5.957 -6.934 -1.143 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -6.300 -8.665 -1.374 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -4.005 -9.150 -3.373 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -5.661 -9.753 -3.618 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -4.890 -8.740 -4.861 1.00 0.00 H new ATOM 1612 N THR A 103 -8.964 -8.253 -2.772 1.00 0.00 N ATOM 1613 CA THR A 103 -10.018 -8.421 -1.780 1.00 0.00 C ATOM 1614 C THR A 103 -10.180 -7.153 -0.952 1.00 0.00 C ATOM 1615 O THR A 103 -10.469 -7.209 0.243 1.00 0.00 O ATOM 1616 CB THR A 103 -9.709 -9.609 -0.867 1.00 0.00 C ATOM 1617 OG1 THR A 103 -10.836 -9.937 -0.073 1.00 0.00 O ATOM 1618 CG2 THR A 103 -8.547 -9.358 0.068 1.00 0.00 C ATOM 0 H THR A 103 -9.070 -8.832 -3.605 1.00 0.00 H new ATOM 0 HA THR A 103 -10.953 -8.617 -2.305 1.00 0.00 H new ATOM 0 HB THR A 103 -9.445 -10.428 -1.537 1.00 0.00 H new ATOM 0 HG1 THR A 103 -11.174 -9.128 0.366 1.00 0.00 H new ATOM 0 HG21 THR A 103 -8.381 -10.240 0.687 1.00 0.00 H new ATOM 0 HG22 THR A 103 -7.650 -9.150 -0.515 1.00 0.00 H new ATOM 0 HG23 THR A 103 -8.772 -8.503 0.706 1.00 0.00 H new ATOM 1626 N ARG A 104 -9.992 -6.010 -1.602 1.00 0.00 N ATOM 1627 CA ARG A 104 -10.114 -4.718 -0.939 1.00 0.00 C ATOM 1628 C ARG A 104 -9.379 -4.714 0.399 1.00 0.00 C ATOM 1629 O ARG A 104 -9.028 -5.768 0.926 1.00 0.00 O ATOM 1630 CB ARG A 104 -11.587 -4.370 -0.722 1.00 0.00 C ATOM 1631 CG ARG A 104 -12.392 -5.493 -0.089 1.00 0.00 C ATOM 1632 CD ARG A 104 -13.886 -5.226 -0.176 1.00 0.00 C ATOM 1633 NE ARG A 104 -14.657 -6.461 -0.300 1.00 0.00 N ATOM 1634 CZ ARG A 104 -15.196 -7.100 0.733 1.00 0.00 C ATOM 1635 NH1 ARG A 104 -15.048 -6.621 1.961 1.00 0.00 N ATOM 1636 NH2 ARG A 104 -15.882 -8.218 0.540 1.00 0.00 N ATOM 0 H ARG A 104 -9.753 -5.953 -2.592 1.00 0.00 H new ATOM 0 HA ARG A 104 -9.658 -3.967 -1.584 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -11.653 -3.486 -0.088 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -12.035 -4.109 -1.681 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -12.160 -6.434 -0.588 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -12.102 -5.606 0.956 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -14.210 -4.684 0.713 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -14.090 -4.584 -1.033 1.00 0.00 H new ATOM 0 HE ARG A 104 -14.789 -6.855 -1.232 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -14.520 -5.762 2.113 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -15.462 -7.112 2.753 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -15.997 -8.589 -0.403 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -16.295 -8.707 1.334 1.00 0.00 H new ATOM 1650 N LEU A 105 -9.155 -3.521 0.942 1.00 0.00 N ATOM 1651 CA LEU A 105 -8.467 -3.384 2.219 1.00 0.00 C ATOM 1652 C LEU A 105 -9.104 -4.289 3.269 1.00 0.00 C ATOM 1653 O LEU A 105 -10.289 -4.163 3.573 1.00 0.00 O ATOM 1654 CB LEU A 105 -8.500 -1.927 2.689 1.00 0.00 C ATOM 1655 CG LEU A 105 -7.389 -1.040 2.123 1.00 0.00 C ATOM 1656 CD1 LEU A 105 -6.530 -0.475 3.244 1.00 0.00 C ATOM 1657 CD2 LEU A 105 -6.534 -1.820 1.135 1.00 0.00 C ATOM 0 H LEU A 105 -9.440 -2.638 0.518 1.00 0.00 H new ATOM 0 HA LEU A 105 -7.428 -3.685 2.084 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -9.463 -1.495 2.417 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -8.439 -1.910 3.777 1.00 0.00 H new ATOM 0 HG LEU A 105 -7.852 -0.207 1.594 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -5.746 0.153 2.821 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -7.151 0.121 3.913 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -6.077 -1.294 3.803 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -5.749 -1.173 0.743 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -6.082 -2.674 1.640 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -7.158 -2.173 0.314 1.00 0.00 H new ATOM 1669 N ARG A 106 -8.311 -5.207 3.810 1.00 0.00 N ATOM 1670 CA ARG A 106 -8.799 -6.137 4.813 1.00 0.00 C ATOM 1671 C ARG A 106 -8.095 -5.938 6.149 1.00 0.00 C ATOM 1672 O ARG A 106 -8.726 -5.591 7.149 1.00 0.00 O ATOM 1673 CB ARG A 106 -8.605 -7.577 4.337 1.00 0.00 C ATOM 1674 CG ARG A 106 -9.824 -8.459 4.548 1.00 0.00 C ATOM 1675 CD ARG A 106 -11.106 -7.746 4.151 1.00 0.00 C ATOM 1676 NE ARG A 106 -12.019 -7.594 5.280 1.00 0.00 N ATOM 1677 CZ ARG A 106 -13.334 -7.761 5.191 1.00 0.00 C ATOM 1678 NH1 ARG A 106 -13.888 -8.082 4.029 1.00 0.00 N ATOM 1679 NH2 ARG A 106 -14.099 -7.606 6.265 1.00 0.00 N ATOM 0 H ARG A 106 -7.327 -5.325 3.568 1.00 0.00 H new ATOM 0 HA ARG A 106 -9.862 -5.941 4.956 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -8.352 -7.569 3.277 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -7.756 -8.013 4.864 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -9.719 -9.372 3.962 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -9.882 -8.756 5.595 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -10.864 -6.764 3.746 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -11.601 -8.305 3.357 1.00 0.00 H new ATOM 0 HE ARG A 106 -11.625 -7.346 6.188 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -13.304 -8.201 3.201 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -14.898 -8.210 3.963 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -13.677 -7.358 7.160 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -15.108 -7.735 6.195 1.00 0.00 H new ATOM 1693 N TYR A 107 -6.786 -6.170 6.167 1.00 0.00 N ATOM 1694 CA TYR A 107 -6.003 -6.024 7.386 1.00 0.00 C ATOM 1695 C TYR A 107 -4.825 -5.081 7.176 1.00 0.00 C ATOM 1696 O TYR A 107 -4.027 -5.259 6.257 1.00 0.00 O ATOM 1697 CB TYR A 107 -5.495 -7.390 7.852 1.00 0.00 C ATOM 1698 CG TYR A 107 -4.931 -7.382 9.254 1.00 0.00 C ATOM 1699 CD1 TYR A 107 -5.761 -7.542 10.358 1.00 0.00 C ATOM 1700 CD2 TYR A 107 -3.570 -7.215 9.475 1.00 0.00 C ATOM 1701 CE1 TYR A 107 -5.249 -7.535 11.641 1.00 0.00 C ATOM 1702 CE2 TYR A 107 -3.051 -7.208 10.757 1.00 0.00 C ATOM 1703 CZ TYR A 107 -3.895 -7.367 11.835 1.00 0.00 C ATOM 1704 OH TYR A 107 -3.381 -7.361 13.111 1.00 0.00 O ATOM 0 H TYR A 107 -6.247 -6.460 5.351 1.00 0.00 H new ATOM 0 HA TYR A 107 -6.651 -5.597 8.151 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -6.313 -8.108 7.803 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -4.725 -7.736 7.162 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -6.823 -7.674 10.210 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -2.906 -7.089 8.632 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -5.907 -7.661 12.488 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -1.990 -7.079 10.913 1.00 0.00 H new ATOM 0 HH TYR A 107 -2.410 -7.233 13.072 1.00 0.00 H new ATOM 1714 N PRO A 108 -4.704 -4.060 8.034 1.00 0.00 N ATOM 1715 CA PRO A 108 -3.632 -3.077 7.960 1.00 0.00 C ATOM 1716 C PRO A 108 -2.384 -3.532 8.709 1.00 0.00 C ATOM 1717 O PRO A 108 -2.158 -3.138 9.853 1.00 0.00 O ATOM 1718 CB PRO A 108 -4.237 -1.839 8.635 1.00 0.00 C ATOM 1719 CG PRO A 108 -5.556 -2.263 9.210 1.00 0.00 C ATOM 1720 CD PRO A 108 -5.605 -3.766 9.144 1.00 0.00 C ATOM 0 HA PRO A 108 -3.306 -2.903 6.934 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -3.577 -1.463 9.417 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -4.370 -1.032 7.915 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -5.656 -1.919 10.240 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -6.380 -1.826 8.647 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -5.268 -4.225 10.073 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -6.614 -4.132 8.956 1.00 0.00 H new ATOM 1728 N VAL A 109 -1.579 -4.365 8.062 1.00 0.00 N ATOM 1729 CA VAL A 109 -0.360 -4.875 8.670 1.00 0.00 C ATOM 1730 C VAL A 109 0.808 -3.916 8.465 1.00 0.00 C ATOM 1731 O VAL A 109 1.876 -4.318 8.002 1.00 0.00 O ATOM 1732 CB VAL A 109 0.018 -6.253 8.100 1.00 0.00 C ATOM 1733 CG1 VAL A 109 0.129 -6.191 6.585 1.00 0.00 C ATOM 1734 CG2 VAL A 109 1.318 -6.748 8.717 1.00 0.00 C ATOM 0 H VAL A 109 -1.750 -4.702 7.114 1.00 0.00 H new ATOM 0 HA VAL A 109 -0.561 -4.972 9.737 1.00 0.00 H new ATOM 0 HB VAL A 109 -0.771 -6.960 8.355 1.00 0.00 H new ATOM 0 HG11 VAL A 109 0.397 -7.175 6.199 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -0.828 -5.884 6.162 1.00 0.00 H new ATOM 0 HG13 VAL A 109 0.897 -5.470 6.306 1.00 0.00 H new ATOM 0 HG21 VAL A 109 1.569 -7.724 8.302 1.00 0.00 H new ATOM 0 HG22 VAL A 109 2.118 -6.042 8.495 1.00 0.00 H new ATOM 0 HG23 VAL A 109 1.199 -6.833 9.797 1.00 0.00 H new ATOM 1744 N CYS A 110 0.605 -2.649 8.814 1.00 0.00 N ATOM 1745 CA CYS A 110 1.652 -1.645 8.666 1.00 0.00 C ATOM 1746 C CYS A 110 2.934 -2.093 9.356 1.00 0.00 C ATOM 1747 O CYS A 110 3.082 -1.944 10.569 1.00 0.00 O ATOM 1748 CB CYS A 110 1.195 -0.308 9.245 1.00 0.00 C ATOM 1749 SG CYS A 110 2.082 1.123 8.588 1.00 0.00 S ATOM 0 H CYS A 110 -0.271 -2.295 9.199 1.00 0.00 H new ATOM 0 HA CYS A 110 1.852 -1.523 7.602 1.00 0.00 H new ATOM 0 HB2 CYS A 110 0.130 -0.184 9.048 1.00 0.00 H new ATOM 0 HB3 CYS A 110 1.318 -0.332 10.328 1.00 0.00 H new ATOM 0 HG CYS A 110 3.302 0.782 8.298 1.00 0.00 H new ATOM 1755 N GLY A 111 3.860 -2.640 8.577 1.00 0.00 N ATOM 1756 CA GLY A 111 5.120 -3.103 9.133 1.00 0.00 C ATOM 1757 C GLY A 111 5.394 -2.525 10.509 1.00 0.00 C ATOM 1758 O GLY A 111 6.239 -1.611 10.611 1.00 0.00 O ATOM 0 H GLY A 111 3.762 -2.772 7.570 1.00 0.00 H new ATOM 0 HA2 GLY A 111 5.108 -4.191 9.195 1.00 0.00 H new ATOM 0 HA3 GLY A 111 5.933 -2.831 8.460 1.00 0.00 H new