USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 652 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 84 HIS : no HD1:sc= -0.627 K(o=-0.68,f=-1.3) USER MOD Set 1.2: A 88 THR OG1 : rot 80:sc= -0.0515 USER MOD Set 2.1: A 47 SER OG : rot 74:sc= 0.0921! USER MOD Set 2.2: A 56 HIS : no HD1:sc= 0.0101 K(o=0.1,f=-3.9) USER MOD Set 3.1: A 17 ASN :FLIP amide:sc= -11! C(o=-26!,f=-22!) USER MOD Set 3.2: A 19 ASN : amide:sc= -10.8! C(o=-22!,f=-39!) USER MOD Set 4.1: A 5 HIS : no HD1:sc= -7.22! C(o=-10!,f=-20!) USER MOD Set 4.2: A 86 GLN : amide:sc= -2.86! C(o=-10!,f=-15!) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.06) USER MOD Single : A 9 LYS NZ :NH3+ -138:sc= 1.22 (180deg=-0.661) USER MOD Single : A 10 THR OG1 : rot 16:sc= -2.59! USER MOD Single : A 12 ASN : amide:sc= -0.307 K(o=-0.31,f=-13!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 135:sc= -0.112 (180deg=-0.661) USER MOD Single : A 23 ASN : amide:sc= -16.7! C(o=-17!,f=-19!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot 180:sc= -2.15! USER MOD Single : A 55 LYS NZ :NH3+ -177:sc= -1.74 (180deg=-1.88) USER MOD Single : A 57 CYS SG : rot 180:sc= 0.00394 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 77 SER OG : rot 33:sc= 0.0502 USER MOD Single : A 79 LYS NZ :NH3+ 159:sc= -0.0483 (180deg=-0.408) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.165 K(o=-0.16,f=-2.2!) USER MOD Single : A 93 HIS : no HD1:sc=-0.00237 X(o=-0.0024,f=-0.06) USER MOD Single : A 94 ASN : amide:sc= -0.0184 K(o=-0.018,f=-0.85) USER MOD Single : A 96 SER OG : rot 180:sc= -0.0126 USER MOD Single : A 98 ASN :FLIP amide:sc= -2.42! C(o=-4.6!,f=-2.4!) USER MOD Single : A 100 THR OG1 : rot 145:sc= 0.00611 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 165:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 30 N LEU A 3 91.798 -1.632 -15.063 1.00 0.00 N ATOM 31 CA LEU A 3 91.953 -1.637 -13.582 1.00 0.00 C ATOM 32 C LEU A 3 90.652 -2.129 -12.954 1.00 0.00 C ATOM 33 O LEU A 3 89.576 -1.813 -13.415 1.00 0.00 O ATOM 34 CB LEU A 3 92.271 -0.222 -13.084 1.00 0.00 C ATOM 35 CG LEU A 3 93.619 0.226 -13.644 1.00 0.00 C ATOM 36 CD1 LEU A 3 93.899 1.666 -13.211 1.00 0.00 C ATOM 37 CD2 LEU A 3 94.714 -0.699 -13.111 1.00 0.00 C ATOM 0 HA LEU A 3 92.773 -2.298 -13.299 1.00 0.00 H new ATOM 0 HB2 LEU A 3 91.488 0.469 -13.396 1.00 0.00 H new ATOM 0 HB3 LEU A 3 92.295 -0.206 -11.994 1.00 0.00 H new ATOM 0 HG LEU A 3 93.601 0.179 -14.733 1.00 0.00 H new ATOM 0 HD11 LEU A 3 94.861 1.986 -13.611 1.00 0.00 H new ATOM 0 HD12 LEU A 3 93.113 2.319 -13.590 1.00 0.00 H new ATOM 0 HD13 LEU A 3 93.922 1.721 -12.123 1.00 0.00 H new ATOM 0 HD21 LEU A 3 95.680 -0.385 -13.507 1.00 0.00 H new ATOM 0 HD22 LEU A 3 94.734 -0.649 -12.022 1.00 0.00 H new ATOM 0 HD23 LEU A 3 94.509 -1.723 -13.423 1.00 0.00 H new ATOM 49 N PRO A 4 90.745 -2.903 -11.912 1.00 0.00 N ATOM 50 CA PRO A 4 89.546 -3.457 -11.227 1.00 0.00 C ATOM 51 C PRO A 4 88.702 -2.361 -10.591 1.00 0.00 C ATOM 52 O PRO A 4 87.603 -2.592 -10.125 1.00 0.00 O ATOM 53 CB PRO A 4 90.117 -4.397 -10.165 1.00 0.00 C ATOM 54 CG PRO A 4 91.533 -3.974 -9.959 1.00 0.00 C ATOM 55 CD PRO A 4 91.993 -3.322 -11.260 1.00 0.00 C ATOM 0 HA PRO A 4 88.879 -3.966 -11.923 1.00 0.00 H new ATOM 0 HB2 PRO A 4 89.550 -4.327 -9.237 1.00 0.00 H new ATOM 0 HB3 PRO A 4 90.064 -5.435 -10.494 1.00 0.00 H new ATOM 0 HG2 PRO A 4 91.610 -3.274 -9.127 1.00 0.00 H new ATOM 0 HG3 PRO A 4 92.160 -4.831 -9.713 1.00 0.00 H new ATOM 0 HD2 PRO A 4 92.648 -2.472 -11.070 1.00 0.00 H new ATOM 0 HD3 PRO A 4 92.552 -4.022 -11.881 1.00 0.00 H new ATOM 63 N HIS A 5 89.207 -1.165 -10.579 1.00 0.00 N ATOM 64 CA HIS A 5 88.447 -0.039 -9.981 1.00 0.00 C ATOM 65 C HIS A 5 87.187 0.234 -10.808 1.00 0.00 C ATOM 66 O HIS A 5 86.210 0.744 -10.308 1.00 0.00 O ATOM 67 CB HIS A 5 89.330 1.204 -9.975 1.00 0.00 C ATOM 68 CG HIS A 5 90.506 0.982 -9.060 1.00 0.00 C ATOM 69 ND1 HIS A 5 90.353 0.697 -7.711 1.00 0.00 N ATOM 70 CD2 HIS A 5 91.861 1.007 -9.287 1.00 0.00 C ATOM 71 CE1 HIS A 5 91.585 0.567 -7.183 1.00 0.00 C ATOM 72 NE2 HIS A 5 92.541 0.746 -8.101 1.00 0.00 N ATOM 0 H HIS A 5 90.120 -0.917 -10.960 1.00 0.00 H new ATOM 0 HA HIS A 5 88.156 -0.294 -8.962 1.00 0.00 H new ATOM 0 HB2 HIS A 5 89.678 1.421 -10.985 1.00 0.00 H new ATOM 0 HB3 HIS A 5 88.756 2.069 -9.643 1.00 0.00 H new ATOM 0 HD2 HIS A 5 92.328 1.200 -10.242 1.00 0.00 H new ATOM 0 HE1 HIS A 5 91.778 0.345 -6.144 1.00 0.00 H new ATOM 0 HE2 HIS A 5 93.550 0.701 -7.962 1.00 0.00 H new ATOM 80 N HIS A 6 87.203 -0.090 -12.071 1.00 0.00 N ATOM 81 CA HIS A 6 86.003 0.170 -12.915 1.00 0.00 C ATOM 82 C HIS A 6 84.821 -0.672 -12.421 1.00 0.00 C ATOM 83 O HIS A 6 83.676 -0.288 -12.558 1.00 0.00 O ATOM 84 CB HIS A 6 86.313 -0.184 -14.374 1.00 0.00 C ATOM 85 CG HIS A 6 87.285 0.821 -14.936 1.00 0.00 C ATOM 86 ND1 HIS A 6 86.944 2.150 -15.136 1.00 0.00 N ATOM 87 CD2 HIS A 6 88.596 0.710 -15.335 1.00 0.00 C ATOM 88 CE1 HIS A 6 88.029 2.781 -15.627 1.00 0.00 C ATOM 89 NE2 HIS A 6 89.063 1.950 -15.768 1.00 0.00 N ATOM 0 H HIS A 6 87.991 -0.522 -12.554 1.00 0.00 H new ATOM 0 HA HIS A 6 85.741 1.226 -12.845 1.00 0.00 H new ATOM 0 HB2 HIS A 6 86.734 -1.187 -14.435 1.00 0.00 H new ATOM 0 HB3 HIS A 6 85.395 -0.187 -14.962 1.00 0.00 H new ATOM 0 HD2 HIS A 6 89.176 -0.201 -15.316 1.00 0.00 H new ATOM 0 HE1 HIS A 6 88.058 3.832 -15.876 1.00 0.00 H new ATOM 0 HE2 HIS A 6 89.995 2.174 -16.117 1.00 0.00 H new ATOM 97 N ASP A 7 85.084 -1.818 -11.856 1.00 0.00 N ATOM 98 CA ASP A 7 83.974 -2.677 -11.369 1.00 0.00 C ATOM 99 C ASP A 7 83.884 -2.615 -9.841 1.00 0.00 C ATOM 100 O ASP A 7 84.866 -2.766 -9.137 1.00 0.00 O ATOM 101 CB ASP A 7 84.232 -4.117 -11.803 1.00 0.00 C ATOM 102 CG ASP A 7 84.072 -4.230 -13.321 1.00 0.00 C ATOM 103 OD1 ASP A 7 83.558 -3.295 -13.915 1.00 0.00 O ATOM 104 OD2 ASP A 7 84.466 -5.250 -13.863 1.00 0.00 O ATOM 0 H ASP A 7 86.021 -2.195 -11.712 1.00 0.00 H new ATOM 0 HA ASP A 7 83.034 -2.321 -11.791 1.00 0.00 H new ATOM 0 HB2 ASP A 7 85.236 -4.422 -11.509 1.00 0.00 H new ATOM 0 HB3 ASP A 7 83.535 -4.789 -11.302 1.00 0.00 H new ATOM 109 N GLU A 8 82.704 -2.404 -9.329 1.00 0.00 N ATOM 110 CA GLU A 8 82.512 -2.342 -7.852 1.00 0.00 C ATOM 111 C GLU A 8 82.709 -3.739 -7.251 1.00 0.00 C ATOM 112 O GLU A 8 82.996 -3.892 -6.081 1.00 0.00 O ATOM 113 CB GLU A 8 81.089 -1.860 -7.569 1.00 0.00 C ATOM 114 CG GLU A 8 80.945 -0.396 -7.990 1.00 0.00 C ATOM 115 CD GLU A 8 79.460 -0.032 -8.059 1.00 0.00 C ATOM 116 OE1 GLU A 8 78.646 -0.898 -7.782 1.00 0.00 O ATOM 117 OE2 GLU A 8 79.163 1.105 -8.385 1.00 0.00 O ATOM 0 H GLU A 8 81.854 -2.270 -9.877 1.00 0.00 H new ATOM 0 HA GLU A 8 83.235 -1.658 -7.408 1.00 0.00 H new ATOM 0 HB2 GLU A 8 80.372 -2.476 -8.111 1.00 0.00 H new ATOM 0 HB3 GLU A 8 80.863 -1.967 -6.508 1.00 0.00 H new ATOM 0 HG2 GLU A 8 81.457 0.251 -7.278 1.00 0.00 H new ATOM 0 HG3 GLU A 8 81.415 -0.237 -8.960 1.00 0.00 H new ATOM 124 N LYS A 9 82.532 -4.756 -8.045 1.00 0.00 N ATOM 125 CA LYS A 9 82.678 -6.152 -7.535 1.00 0.00 C ATOM 126 C LYS A 9 84.097 -6.412 -7.018 1.00 0.00 C ATOM 127 O LYS A 9 84.294 -7.205 -6.122 1.00 0.00 O ATOM 128 CB LYS A 9 82.404 -7.127 -8.675 1.00 0.00 C ATOM 129 CG LYS A 9 83.645 -7.179 -9.563 1.00 0.00 C ATOM 130 CD LYS A 9 83.281 -7.672 -10.962 1.00 0.00 C ATOM 131 CE LYS A 9 84.510 -7.532 -11.862 1.00 0.00 C ATOM 132 NZ LYS A 9 84.136 -7.842 -13.270 1.00 0.00 N ATOM 0 H LYS A 9 82.291 -4.682 -9.033 1.00 0.00 H new ATOM 0 HA LYS A 9 81.972 -6.289 -6.716 1.00 0.00 H new ATOM 0 HB2 LYS A 9 82.175 -8.118 -8.282 1.00 0.00 H new ATOM 0 HB3 LYS A 9 81.537 -6.805 -9.251 1.00 0.00 H new ATOM 0 HG2 LYS A 9 84.096 -6.189 -9.626 1.00 0.00 H new ATOM 0 HG3 LYS A 9 84.389 -7.841 -9.120 1.00 0.00 H new ATOM 0 HD2 LYS A 9 82.956 -8.712 -10.924 1.00 0.00 H new ATOM 0 HD3 LYS A 9 82.450 -7.092 -11.363 1.00 0.00 H new ATOM 0 HE2 LYS A 9 84.909 -6.520 -11.795 1.00 0.00 H new ATOM 0 HE3 LYS A 9 85.297 -8.207 -11.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 84.881 -8.421 -13.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 83.237 -8.366 -13.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 84.028 -6.956 -13.804 1.00 0.00 H new ATOM 146 N THR A 10 85.090 -5.785 -7.584 1.00 0.00 N ATOM 147 CA THR A 10 86.480 -6.054 -7.115 1.00 0.00 C ATOM 148 C THR A 10 86.710 -5.465 -5.715 1.00 0.00 C ATOM 149 O THR A 10 87.544 -5.941 -4.967 1.00 0.00 O ATOM 150 CB THR A 10 87.491 -5.494 -8.122 1.00 0.00 C ATOM 151 OG1 THR A 10 87.258 -4.111 -8.331 1.00 0.00 O ATOM 152 CG2 THR A 10 87.361 -6.242 -9.447 1.00 0.00 C ATOM 0 H THR A 10 85.003 -5.107 -8.341 1.00 0.00 H new ATOM 0 HA THR A 10 86.622 -7.132 -7.045 1.00 0.00 H new ATOM 0 HB THR A 10 88.498 -5.627 -7.725 1.00 0.00 H new ATOM 0 HG1 THR A 10 86.682 -3.765 -7.618 1.00 0.00 H new ATOM 0 HG21 THR A 10 88.080 -5.843 -10.162 1.00 0.00 H new ATOM 0 HG22 THR A 10 87.558 -7.302 -9.287 1.00 0.00 H new ATOM 0 HG23 THR A 10 86.352 -6.116 -9.839 1.00 0.00 H new ATOM 160 N TRP A 11 85.972 -4.458 -5.334 1.00 0.00 N ATOM 161 CA TRP A 11 86.160 -3.879 -3.969 1.00 0.00 C ATOM 162 C TRP A 11 84.835 -3.882 -3.200 1.00 0.00 C ATOM 163 O TRP A 11 84.818 -3.960 -1.989 1.00 0.00 O ATOM 164 CB TRP A 11 86.688 -2.444 -4.075 1.00 0.00 C ATOM 165 CG TRP A 11 86.355 -1.885 -5.418 1.00 0.00 C ATOM 166 CD1 TRP A 11 86.947 -2.268 -6.558 1.00 0.00 C ATOM 167 CD2 TRP A 11 85.394 -0.850 -5.783 1.00 0.00 C ATOM 168 NE1 TRP A 11 86.393 -1.574 -7.618 1.00 0.00 N ATOM 169 CE2 TRP A 11 85.433 -0.673 -7.189 1.00 0.00 C ATOM 170 CE3 TRP A 11 84.497 -0.066 -5.044 1.00 0.00 C ATOM 171 CZ2 TRP A 11 84.605 0.260 -7.830 1.00 0.00 C ATOM 172 CZ3 TRP A 11 83.669 0.871 -5.684 1.00 0.00 C ATOM 173 CH2 TRP A 11 83.723 1.032 -7.073 1.00 0.00 C ATOM 0 H TRP A 11 85.252 -4.013 -5.902 1.00 0.00 H new ATOM 0 HA TRP A 11 86.884 -4.491 -3.431 1.00 0.00 H new ATOM 0 HB2 TRP A 11 86.248 -1.825 -3.293 1.00 0.00 H new ATOM 0 HB3 TRP A 11 87.767 -2.431 -3.922 1.00 0.00 H new ATOM 0 HD1 TRP A 11 87.734 -3.004 -6.636 1.00 0.00 H new ATOM 0 HE1 TRP A 11 86.658 -1.709 -8.594 1.00 0.00 H new ATOM 0 HE3 TRP A 11 84.442 -0.184 -3.972 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 84.650 0.380 -8.902 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 82.986 1.471 -5.100 1.00 0.00 H new ATOM 0 HH2 TRP A 11 83.082 1.753 -7.559 1.00 0.00 H new ATOM 184 N ASN A 12 83.730 -3.780 -3.886 1.00 0.00 N ATOM 185 CA ASN A 12 82.415 -3.755 -3.183 1.00 0.00 C ATOM 186 C ASN A 12 81.908 -5.175 -2.938 1.00 0.00 C ATOM 187 O ASN A 12 81.743 -5.956 -3.853 1.00 0.00 O ATOM 188 CB ASN A 12 81.402 -3.014 -4.046 1.00 0.00 C ATOM 189 CG ASN A 12 80.142 -2.744 -3.229 1.00 0.00 C ATOM 190 OD1 ASN A 12 79.815 -3.490 -2.326 1.00 0.00 O ATOM 191 ND2 ASN A 12 79.415 -1.701 -3.511 1.00 0.00 N ATOM 0 H ASN A 12 83.680 -3.713 -4.903 1.00 0.00 H new ATOM 0 HA ASN A 12 82.541 -3.252 -2.224 1.00 0.00 H new ATOM 0 HB2 ASN A 12 81.827 -2.075 -4.400 1.00 0.00 H new ATOM 0 HB3 ASN A 12 81.157 -3.606 -4.928 1.00 0.00 H new ATOM 0 HD21 ASN A 12 78.569 -1.508 -2.974 1.00 0.00 H new ATOM 0 HD22 ASN A 12 79.691 -1.077 -4.269 1.00 0.00 H new ATOM 198 N VAL A 13 81.646 -5.507 -1.706 1.00 0.00 N ATOM 199 CA VAL A 13 81.132 -6.871 -1.391 1.00 0.00 C ATOM 200 C VAL A 13 79.619 -6.798 -1.159 1.00 0.00 C ATOM 201 O VAL A 13 78.972 -7.790 -0.877 1.00 0.00 O ATOM 202 CB VAL A 13 81.809 -7.378 -0.122 1.00 0.00 C ATOM 203 CG1 VAL A 13 81.302 -6.558 1.064 1.00 0.00 C ATOM 204 CG2 VAL A 13 81.453 -8.848 0.090 1.00 0.00 C ATOM 0 H VAL A 13 81.765 -4.892 -0.901 1.00 0.00 H new ATOM 0 HA VAL A 13 81.345 -7.547 -2.219 1.00 0.00 H new ATOM 0 HB VAL A 13 82.891 -7.278 -0.211 1.00 0.00 H new ATOM 0 HG11 VAL A 13 81.778 -6.910 1.979 1.00 0.00 H new ATOM 0 HG12 VAL A 13 81.545 -5.507 0.910 1.00 0.00 H new ATOM 0 HG13 VAL A 13 80.221 -6.672 1.150 1.00 0.00 H new ATOM 0 HG21 VAL A 13 81.936 -9.212 0.997 1.00 0.00 H new ATOM 0 HG22 VAL A 13 80.372 -8.950 0.189 1.00 0.00 H new ATOM 0 HG23 VAL A 13 81.796 -9.432 -0.764 1.00 0.00 H new ATOM 214 N GLY A 14 79.047 -5.627 -1.278 1.00 0.00 N ATOM 215 CA GLY A 14 77.576 -5.482 -1.069 1.00 0.00 C ATOM 216 C GLY A 14 77.236 -5.765 0.397 1.00 0.00 C ATOM 217 O GLY A 14 78.058 -5.603 1.278 1.00 0.00 O ATOM 0 H GLY A 14 79.537 -4.763 -1.511 1.00 0.00 H new ATOM 0 HA2 GLY A 14 77.257 -4.475 -1.339 1.00 0.00 H new ATOM 0 HA3 GLY A 14 77.036 -6.172 -1.718 1.00 0.00 H new ATOM 221 N SER A 15 76.033 -6.198 0.661 1.00 0.00 N ATOM 222 CA SER A 15 75.648 -6.508 2.065 1.00 0.00 C ATOM 223 C SER A 15 76.422 -7.745 2.516 1.00 0.00 C ATOM 224 O SER A 15 76.727 -8.614 1.728 1.00 0.00 O ATOM 225 CB SER A 15 74.147 -6.796 2.135 1.00 0.00 C ATOM 226 OG SER A 15 73.844 -7.936 1.335 1.00 0.00 O ATOM 0 H SER A 15 75.302 -6.350 -0.034 1.00 0.00 H new ATOM 0 HA SER A 15 75.879 -5.661 2.711 1.00 0.00 H new ATOM 0 HB2 SER A 15 73.848 -6.973 3.168 1.00 0.00 H new ATOM 0 HB3 SER A 15 73.583 -5.932 1.784 1.00 0.00 H new ATOM 0 HG SER A 15 72.883 -8.122 1.381 1.00 0.00 H new ATOM 232 N SER A 16 76.744 -7.832 3.775 1.00 0.00 N ATOM 233 CA SER A 16 77.502 -9.017 4.268 1.00 0.00 C ATOM 234 C SER A 16 77.637 -8.919 5.785 1.00 0.00 C ATOM 235 O SER A 16 77.566 -7.847 6.349 1.00 0.00 O ATOM 236 CB SER A 16 78.898 -9.032 3.635 1.00 0.00 C ATOM 237 OG SER A 16 79.627 -10.164 4.100 1.00 0.00 O ATOM 0 H SER A 16 76.516 -7.135 4.484 1.00 0.00 H new ATOM 0 HA SER A 16 76.974 -9.932 3.998 1.00 0.00 H new ATOM 0 HB2 SER A 16 78.814 -9.063 2.549 1.00 0.00 H new ATOM 0 HB3 SER A 16 79.432 -8.116 3.887 1.00 0.00 H new ATOM 0 HG SER A 16 80.518 -10.170 3.691 1.00 0.00 H new ATOM 243 N ASN A 17 77.829 -10.020 6.448 1.00 0.00 N ATOM 244 CA ASN A 17 77.970 -9.974 7.925 1.00 0.00 C ATOM 245 C ASN A 17 79.383 -9.504 8.291 1.00 0.00 C ATOM 246 O ASN A 17 80.352 -9.862 7.653 1.00 0.00 O ATOM 247 CB ASN A 17 77.717 -11.361 8.497 1.00 0.00 C ATOM 248 CG ASN A 17 77.720 -11.272 10.018 1.00 0.00 C ATOM 249 OD1 ASN A 17 77.865 -12.357 10.720 1.00 0.00 O flip ATOM 250 ND2 ASN A 17 77.585 -10.199 10.574 1.00 0.00 N flip ATOM 0 H ASN A 17 77.894 -10.949 6.032 1.00 0.00 H new ATOM 0 HA ASN A 17 77.245 -9.275 8.343 1.00 0.00 H new ATOM 0 HB2 ASN A 17 76.761 -11.747 8.143 1.00 0.00 H new ATOM 0 HB3 ASN A 17 78.486 -12.055 8.158 1.00 0.00 H new ATOM 0 HD21 ASN A 17 77.471 -9.349 10.022 1.00 0.00 H new ATOM 0 HD22 ASN A 17 77.585 -10.149 11.593 1.00 0.00 H new ATOM 257 N ARG A 18 79.503 -8.692 9.308 1.00 0.00 N ATOM 258 CA ARG A 18 80.848 -8.183 9.705 1.00 0.00 C ATOM 259 C ARG A 18 81.777 -9.342 10.078 1.00 0.00 C ATOM 260 O ARG A 18 82.967 -9.291 9.835 1.00 0.00 O ATOM 261 CB ARG A 18 80.709 -7.234 10.892 1.00 0.00 C ATOM 262 CG ARG A 18 80.091 -5.916 10.426 1.00 0.00 C ATOM 263 CD ARG A 18 79.991 -4.976 11.626 1.00 0.00 C ATOM 264 NE ARG A 18 79.235 -3.742 11.253 1.00 0.00 N ATOM 265 CZ ARG A 18 79.580 -3.021 10.226 1.00 0.00 C ATOM 266 NH1 ARG A 18 80.692 -3.268 9.593 1.00 0.00 N ATOM 267 NH2 ARG A 18 78.828 -2.024 9.860 1.00 0.00 N ATOM 0 H ARG A 18 78.727 -8.359 9.881 1.00 0.00 H new ATOM 0 HA ARG A 18 81.281 -7.649 8.859 1.00 0.00 H new ATOM 0 HB2 ARG A 18 80.085 -7.688 11.662 1.00 0.00 H new ATOM 0 HB3 ARG A 18 81.686 -7.051 11.340 1.00 0.00 H new ATOM 0 HG2 ARG A 18 80.702 -5.467 9.643 1.00 0.00 H new ATOM 0 HG3 ARG A 18 79.104 -6.091 9.999 1.00 0.00 H new ATOM 0 HD2 ARG A 18 79.492 -5.481 12.453 1.00 0.00 H new ATOM 0 HD3 ARG A 18 80.989 -4.709 11.972 1.00 0.00 H new ATOM 0 HE ARG A 18 78.432 -3.459 11.815 1.00 0.00 H new ATOM 0 HH11 ARG A 18 81.296 -4.029 9.902 1.00 0.00 H new ATOM 0 HH12 ARG A 18 80.958 -2.700 8.789 1.00 0.00 H new ATOM 0 HH21 ARG A 18 77.975 -1.812 10.377 1.00 0.00 H new ATOM 0 HH22 ARG A 18 79.092 -1.454 9.056 1.00 0.00 H new ATOM 281 N ASN A 19 81.261 -10.382 10.661 1.00 0.00 N ATOM 282 CA ASN A 19 82.146 -11.519 11.026 1.00 0.00 C ATOM 283 C ASN A 19 82.794 -12.061 9.757 1.00 0.00 C ATOM 284 O ASN A 19 83.965 -12.393 9.732 1.00 0.00 O ATOM 285 CB ASN A 19 81.317 -12.616 11.679 1.00 0.00 C ATOM 286 CG ASN A 19 80.264 -13.101 10.684 1.00 0.00 C ATOM 287 OD1 ASN A 19 80.002 -12.445 9.696 1.00 0.00 O ATOM 288 ND2 ASN A 19 79.642 -14.223 10.905 1.00 0.00 N ATOM 0 H ASN A 19 80.276 -10.495 10.899 1.00 0.00 H new ATOM 0 HA ASN A 19 82.914 -11.185 11.723 1.00 0.00 H new ATOM 0 HB2 ASN A 19 81.959 -13.443 11.982 1.00 0.00 H new ATOM 0 HB3 ASN A 19 80.837 -12.238 12.582 1.00 0.00 H new ATOM 0 HD21 ASN A 19 78.934 -14.552 10.248 1.00 0.00 H new ATOM 0 HD22 ASN A 19 79.863 -14.773 11.735 1.00 0.00 H new ATOM 295 N LYS A 20 82.045 -12.141 8.692 1.00 0.00 N ATOM 296 CA LYS A 20 82.624 -12.646 7.425 1.00 0.00 C ATOM 297 C LYS A 20 83.706 -11.674 6.968 1.00 0.00 C ATOM 298 O LYS A 20 84.759 -12.069 6.504 1.00 0.00 O ATOM 299 CB LYS A 20 81.542 -12.731 6.352 1.00 0.00 C ATOM 300 CG LYS A 20 82.121 -13.402 5.109 1.00 0.00 C ATOM 301 CD LYS A 20 81.039 -13.489 4.034 1.00 0.00 C ATOM 302 CE LYS A 20 81.604 -14.176 2.791 1.00 0.00 C ATOM 303 NZ LYS A 20 82.002 -15.565 3.147 1.00 0.00 N ATOM 0 H LYS A 20 81.060 -11.878 8.648 1.00 0.00 H new ATOM 0 HA LYS A 20 83.044 -13.639 7.584 1.00 0.00 H new ATOM 0 HB2 LYS A 20 80.689 -13.299 6.723 1.00 0.00 H new ATOM 0 HB3 LYS A 20 81.178 -11.734 6.106 1.00 0.00 H new ATOM 0 HG2 LYS A 20 82.974 -12.833 4.738 1.00 0.00 H new ATOM 0 HG3 LYS A 20 82.486 -14.399 5.356 1.00 0.00 H new ATOM 0 HD2 LYS A 20 80.181 -14.046 4.411 1.00 0.00 H new ATOM 0 HD3 LYS A 20 80.684 -12.490 3.780 1.00 0.00 H new ATOM 0 HE2 LYS A 20 80.858 -14.190 1.996 1.00 0.00 H new ATOM 0 HE3 LYS A 20 82.464 -13.623 2.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 81.667 -16.221 2.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 83.038 -15.622 3.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 81.579 -15.824 4.061 1.00 0.00 H new ATOM 317 N ALA A 21 83.458 -10.400 7.098 1.00 0.00 N ATOM 318 CA ALA A 21 84.472 -9.403 6.675 1.00 0.00 C ATOM 319 C ALA A 21 85.749 -9.620 7.487 1.00 0.00 C ATOM 320 O ALA A 21 86.845 -9.464 6.989 1.00 0.00 O ATOM 321 CB ALA A 21 83.942 -7.988 6.912 1.00 0.00 C ATOM 0 H ALA A 21 82.596 -10.010 7.479 1.00 0.00 H new ATOM 0 HA ALA A 21 84.685 -9.525 5.613 1.00 0.00 H new ATOM 0 HB1 ALA A 21 84.692 -7.261 6.599 1.00 0.00 H new ATOM 0 HB2 ALA A 21 83.030 -7.840 6.334 1.00 0.00 H new ATOM 0 HB3 ALA A 21 83.726 -7.853 7.972 1.00 0.00 H new ATOM 327 N GLU A 22 85.617 -9.984 8.734 1.00 0.00 N ATOM 328 CA GLU A 22 86.827 -10.211 9.572 1.00 0.00 C ATOM 329 C GLU A 22 87.679 -11.314 8.937 1.00 0.00 C ATOM 330 O GLU A 22 88.862 -11.148 8.743 1.00 0.00 O ATOM 331 CB GLU A 22 86.392 -10.625 10.981 1.00 0.00 C ATOM 332 CG GLU A 22 85.788 -9.409 11.689 1.00 0.00 C ATOM 333 CD GLU A 22 85.183 -9.824 13.031 1.00 0.00 C ATOM 334 OE1 GLU A 22 85.063 -11.015 13.265 1.00 0.00 O ATOM 335 OE2 GLU A 22 84.849 -8.942 13.802 1.00 0.00 O ATOM 0 H GLU A 22 84.726 -10.133 9.207 1.00 0.00 H new ATOM 0 HA GLU A 22 87.417 -9.296 9.635 1.00 0.00 H new ATOM 0 HB2 GLU A 22 85.661 -11.432 10.928 1.00 0.00 H new ATOM 0 HB3 GLU A 22 87.246 -11.004 11.543 1.00 0.00 H new ATOM 0 HG2 GLU A 22 86.557 -8.652 11.847 1.00 0.00 H new ATOM 0 HG3 GLU A 22 85.021 -8.957 11.060 1.00 0.00 H new ATOM 342 N ASN A 23 87.084 -12.428 8.580 1.00 0.00 N ATOM 343 CA ASN A 23 87.870 -13.523 7.934 1.00 0.00 C ATOM 344 C ASN A 23 88.471 -12.962 6.647 1.00 0.00 C ATOM 345 O ASN A 23 89.613 -13.214 6.316 1.00 0.00 O ATOM 346 CB ASN A 23 86.947 -14.704 7.608 1.00 0.00 C ATOM 347 CG ASN A 23 86.090 -14.365 6.390 1.00 0.00 C ATOM 348 OD1 ASN A 23 86.610 -14.055 5.341 1.00 0.00 O ATOM 349 ND2 ASN A 23 84.791 -14.414 6.481 1.00 0.00 N ATOM 0 H ASN A 23 86.091 -12.624 8.708 1.00 0.00 H new ATOM 0 HA ASN A 23 88.656 -13.876 8.601 1.00 0.00 H new ATOM 0 HB2 ASN A 23 87.539 -15.598 7.411 1.00 0.00 H new ATOM 0 HB3 ASN A 23 86.309 -14.927 8.463 1.00 0.00 H new ATOM 0 HD21 ASN A 23 84.214 -14.192 5.670 1.00 0.00 H new ATOM 0 HD22 ASN A 23 84.351 -14.675 7.363 1.00 0.00 H new ATOM 356 N LEU A 24 87.714 -12.173 5.939 1.00 0.00 N ATOM 357 CA LEU A 24 88.245 -11.558 4.694 1.00 0.00 C ATOM 358 C LEU A 24 89.350 -10.570 5.074 1.00 0.00 C ATOM 359 O LEU A 24 90.284 -10.343 4.331 1.00 0.00 O ATOM 360 CB LEU A 24 87.120 -10.815 3.971 1.00 0.00 C ATOM 361 CG LEU A 24 86.099 -11.819 3.440 1.00 0.00 C ATOM 362 CD1 LEU A 24 84.954 -11.065 2.762 1.00 0.00 C ATOM 363 CD2 LEU A 24 86.778 -12.753 2.429 1.00 0.00 C ATOM 0 H LEU A 24 86.751 -11.928 6.169 1.00 0.00 H new ATOM 0 HA LEU A 24 88.643 -12.329 4.035 1.00 0.00 H new ATOM 0 HB2 LEU A 24 86.636 -10.116 4.653 1.00 0.00 H new ATOM 0 HB3 LEU A 24 87.529 -10.228 3.149 1.00 0.00 H new ATOM 0 HG LEU A 24 85.703 -12.411 4.265 1.00 0.00 H new ATOM 0 HD11 LEU A 24 84.223 -11.779 2.382 1.00 0.00 H new ATOM 0 HD12 LEU A 24 84.474 -10.405 3.485 1.00 0.00 H new ATOM 0 HD13 LEU A 24 85.347 -10.473 1.935 1.00 0.00 H new ATOM 0 HD21 LEU A 24 86.050 -13.470 2.050 1.00 0.00 H new ATOM 0 HD22 LEU A 24 87.175 -12.166 1.601 1.00 0.00 H new ATOM 0 HD23 LEU A 24 87.593 -13.288 2.918 1.00 0.00 H new ATOM 375 N LEU A 25 89.251 -9.982 6.237 1.00 0.00 N ATOM 376 CA LEU A 25 90.296 -9.015 6.672 1.00 0.00 C ATOM 377 C LEU A 25 91.355 -9.743 7.510 1.00 0.00 C ATOM 378 O LEU A 25 92.372 -9.181 7.866 1.00 0.00 O ATOM 379 CB LEU A 25 89.643 -7.928 7.523 1.00 0.00 C ATOM 380 CG LEU A 25 88.664 -7.114 6.665 1.00 0.00 C ATOM 381 CD1 LEU A 25 87.598 -6.484 7.562 1.00 0.00 C ATOM 382 CD2 LEU A 25 89.413 -5.991 5.945 1.00 0.00 C ATOM 0 H LEU A 25 88.492 -10.130 6.902 1.00 0.00 H new ATOM 0 HA LEU A 25 90.770 -8.570 5.797 1.00 0.00 H new ATOM 0 HB2 LEU A 25 89.116 -8.379 8.364 1.00 0.00 H new ATOM 0 HB3 LEU A 25 90.407 -7.272 7.941 1.00 0.00 H new ATOM 0 HG LEU A 25 88.200 -7.779 5.937 1.00 0.00 H new ATOM 0 HD11 LEU A 25 86.904 -5.906 6.952 1.00 0.00 H new ATOM 0 HD12 LEU A 25 87.053 -7.269 8.086 1.00 0.00 H new ATOM 0 HD13 LEU A 25 88.076 -5.827 8.288 1.00 0.00 H new ATOM 0 HD21 LEU A 25 88.713 -5.417 5.338 1.00 0.00 H new ATOM 0 HD22 LEU A 25 89.878 -5.334 6.680 1.00 0.00 H new ATOM 0 HD23 LEU A 25 90.182 -6.420 5.303 1.00 0.00 H new ATOM 394 N ARG A 26 91.117 -10.986 7.836 1.00 0.00 N ATOM 395 CA ARG A 26 92.093 -11.750 8.655 1.00 0.00 C ATOM 396 C ARG A 26 92.982 -12.600 7.743 1.00 0.00 C ATOM 397 O ARG A 26 92.504 -13.340 6.904 1.00 0.00 O ATOM 398 CB ARG A 26 91.314 -12.637 9.630 1.00 0.00 C ATOM 399 CG ARG A 26 91.879 -14.051 9.622 1.00 0.00 C ATOM 400 CD ARG A 26 91.189 -14.868 10.712 1.00 0.00 C ATOM 401 NE ARG A 26 91.677 -14.398 12.045 1.00 0.00 N ATOM 402 CZ ARG A 26 91.088 -14.796 13.143 1.00 0.00 C ATOM 403 NH1 ARG A 26 90.040 -15.569 13.076 1.00 0.00 N ATOM 404 NH2 ARG A 26 91.539 -14.407 14.309 1.00 0.00 N ATOM 0 H ARG A 26 90.281 -11.505 7.566 1.00 0.00 H new ATOM 0 HA ARG A 26 92.735 -11.070 9.215 1.00 0.00 H new ATOM 0 HB2 ARG A 26 91.370 -12.221 10.636 1.00 0.00 H new ATOM 0 HB3 ARG A 26 90.260 -12.657 9.352 1.00 0.00 H new ATOM 0 HG2 ARG A 26 91.721 -14.514 8.648 1.00 0.00 H new ATOM 0 HG3 ARG A 26 92.955 -14.027 9.793 1.00 0.00 H new ATOM 0 HD2 ARG A 26 90.107 -14.752 10.643 1.00 0.00 H new ATOM 0 HD3 ARG A 26 91.405 -15.929 10.583 1.00 0.00 H new ATOM 0 HE ARG A 26 92.474 -13.763 12.098 1.00 0.00 H new ATOM 0 HH11 ARG A 26 89.680 -15.863 12.168 1.00 0.00 H new ATOM 0 HH12 ARG A 26 89.580 -15.880 13.932 1.00 0.00 H new ATOM 0 HH21 ARG A 26 92.351 -13.792 14.362 1.00 0.00 H new ATOM 0 HH22 ARG A 26 91.078 -14.719 15.164 1.00 0.00 H new ATOM 418 N GLY A 27 94.274 -12.498 7.907 1.00 0.00 N ATOM 419 CA GLY A 27 95.202 -13.293 7.055 1.00 0.00 C ATOM 420 C GLY A 27 95.326 -12.617 5.693 1.00 0.00 C ATOM 421 O GLY A 27 95.766 -13.210 4.726 1.00 0.00 O ATOM 0 H GLY A 27 94.726 -11.897 8.596 1.00 0.00 H new ATOM 0 HA2 GLY A 27 96.180 -13.366 7.530 1.00 0.00 H new ATOM 0 HA3 GLY A 27 94.828 -14.310 6.938 1.00 0.00 H new ATOM 425 N LYS A 28 94.935 -11.376 5.612 1.00 0.00 N ATOM 426 CA LYS A 28 95.022 -10.649 4.320 1.00 0.00 C ATOM 427 C LYS A 28 96.112 -9.577 4.405 1.00 0.00 C ATOM 428 O LYS A 28 96.201 -8.828 5.360 1.00 0.00 O ATOM 429 CB LYS A 28 93.676 -9.996 4.016 1.00 0.00 C ATOM 430 CG LYS A 28 93.725 -9.342 2.633 1.00 0.00 C ATOM 431 CD LYS A 28 93.416 -10.388 1.554 1.00 0.00 C ATOM 432 CE LYS A 28 91.930 -10.755 1.601 1.00 0.00 C ATOM 433 NZ LYS A 28 91.797 -12.226 1.806 1.00 0.00 N ATOM 0 H LYS A 28 94.558 -10.834 6.389 1.00 0.00 H new ATOM 0 HA LYS A 28 95.273 -11.349 3.523 1.00 0.00 H new ATOM 0 HB2 LYS A 28 92.882 -10.742 4.049 1.00 0.00 H new ATOM 0 HB3 LYS A 28 93.443 -9.249 4.775 1.00 0.00 H new ATOM 0 HG2 LYS A 28 93.003 -8.527 2.580 1.00 0.00 H new ATOM 0 HG3 LYS A 28 94.710 -8.908 2.460 1.00 0.00 H new ATOM 0 HD2 LYS A 28 93.673 -9.996 0.570 1.00 0.00 H new ATOM 0 HD3 LYS A 28 94.025 -11.278 1.711 1.00 0.00 H new ATOM 0 HE2 LYS A 28 91.435 -10.216 2.409 1.00 0.00 H new ATOM 0 HE3 LYS A 28 91.440 -10.459 0.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 90.790 -12.482 1.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 92.257 -12.729 1.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 92.252 -12.494 2.702 1.00 0.00 H new ATOM 447 N ARG A 29 96.945 -9.514 3.405 1.00 0.00 N ATOM 448 CA ARG A 29 98.058 -8.517 3.379 1.00 0.00 C ATOM 449 C ARG A 29 97.516 -7.083 3.422 1.00 0.00 C ATOM 450 O ARG A 29 96.396 -6.809 3.043 1.00 0.00 O ATOM 451 CB ARG A 29 98.853 -8.697 2.085 1.00 0.00 C ATOM 452 CG ARG A 29 97.957 -8.365 0.887 1.00 0.00 C ATOM 453 CD ARG A 29 98.706 -8.650 -0.420 1.00 0.00 C ATOM 454 NE ARG A 29 99.221 -7.365 -0.974 1.00 0.00 N ATOM 455 CZ ARG A 29 100.113 -7.363 -1.929 1.00 0.00 C ATOM 456 NH1 ARG A 29 100.527 -8.485 -2.452 1.00 0.00 N ATOM 457 NH2 ARG A 29 100.581 -6.230 -2.375 1.00 0.00 N ATOM 0 H ARG A 29 96.903 -10.122 2.587 1.00 0.00 H new ATOM 0 HA ARG A 29 98.689 -8.681 4.253 1.00 0.00 H new ATOM 0 HB2 ARG A 29 99.728 -8.047 2.090 1.00 0.00 H new ATOM 0 HB3 ARG A 29 99.217 -9.722 2.008 1.00 0.00 H new ATOM 0 HG2 ARG A 29 97.044 -8.958 0.930 1.00 0.00 H new ATOM 0 HG3 ARG A 29 97.659 -7.317 0.924 1.00 0.00 H new ATOM 0 HD2 ARG A 29 99.531 -9.339 -0.239 1.00 0.00 H new ATOM 0 HD3 ARG A 29 98.041 -9.130 -1.138 1.00 0.00 H new ATOM 0 HE ARG A 29 98.874 -6.480 -0.604 1.00 0.00 H new ATOM 0 HH11 ARG A 29 100.154 -9.373 -2.116 1.00 0.00 H new ATOM 0 HH12 ARG A 29 101.224 -8.474 -3.197 1.00 0.00 H new ATOM 0 HH21 ARG A 29 100.251 -5.350 -1.978 1.00 0.00 H new ATOM 0 HH22 ARG A 29 101.277 -6.224 -3.120 1.00 0.00 H new ATOM 471 N ASP A 30 98.331 -6.165 3.868 1.00 0.00 N ATOM 472 CA ASP A 30 97.916 -4.731 3.933 1.00 0.00 C ATOM 473 C ASP A 30 97.653 -4.210 2.508 1.00 0.00 C ATOM 474 O ASP A 30 98.241 -4.682 1.554 1.00 0.00 O ATOM 475 CB ASP A 30 99.055 -3.926 4.561 1.00 0.00 C ATOM 476 CG ASP A 30 99.238 -4.360 6.016 1.00 0.00 C ATOM 477 OD1 ASP A 30 98.283 -4.858 6.589 1.00 0.00 O ATOM 478 OD2 ASP A 30 100.330 -4.189 6.533 1.00 0.00 O ATOM 0 H ASP A 30 99.280 -6.349 4.195 1.00 0.00 H new ATOM 0 HA ASP A 30 97.008 -4.630 4.528 1.00 0.00 H new ATOM 0 HB2 ASP A 30 99.978 -4.084 4.003 1.00 0.00 H new ATOM 0 HB3 ASP A 30 98.832 -2.860 4.513 1.00 0.00 H new ATOM 483 N GLY A 31 96.788 -3.239 2.351 1.00 0.00 N ATOM 484 CA GLY A 31 96.516 -2.699 0.979 1.00 0.00 C ATOM 485 C GLY A 31 95.238 -3.313 0.416 1.00 0.00 C ATOM 486 O GLY A 31 94.611 -2.759 -0.464 1.00 0.00 O ATOM 0 H GLY A 31 96.261 -2.799 3.105 1.00 0.00 H new ATOM 0 HA2 GLY A 31 96.420 -1.614 1.020 1.00 0.00 H new ATOM 0 HA3 GLY A 31 97.356 -2.920 0.320 1.00 0.00 H new ATOM 490 N THR A 32 94.840 -4.440 0.912 1.00 0.00 N ATOM 491 CA THR A 32 93.594 -5.068 0.403 1.00 0.00 C ATOM 492 C THR A 32 92.403 -4.444 1.127 1.00 0.00 C ATOM 493 O THR A 32 92.312 -4.495 2.337 1.00 0.00 O ATOM 494 CB THR A 32 93.637 -6.564 0.695 1.00 0.00 C ATOM 495 OG1 THR A 32 94.796 -7.135 0.100 1.00 0.00 O ATOM 496 CG2 THR A 32 92.382 -7.239 0.139 1.00 0.00 C ATOM 0 H THR A 32 95.321 -4.957 1.648 1.00 0.00 H new ATOM 0 HA THR A 32 93.501 -4.909 -0.671 1.00 0.00 H new ATOM 0 HB THR A 32 93.675 -6.717 1.774 1.00 0.00 H new ATOM 0 HG1 THR A 32 94.822 -8.096 0.291 1.00 0.00 H new ATOM 0 HG21 THR A 32 92.419 -8.308 0.351 1.00 0.00 H new ATOM 0 HG22 THR A 32 91.498 -6.807 0.608 1.00 0.00 H new ATOM 0 HG23 THR A 32 92.333 -7.085 -0.939 1.00 0.00 H new ATOM 504 N PHE A 33 91.486 -3.853 0.410 1.00 0.00 N ATOM 505 CA PHE A 33 90.319 -3.241 1.095 1.00 0.00 C ATOM 506 C PHE A 33 89.044 -3.550 0.329 1.00 0.00 C ATOM 507 O PHE A 33 89.071 -3.931 -0.824 1.00 0.00 O ATOM 508 CB PHE A 33 90.501 -1.722 1.195 1.00 0.00 C ATOM 509 CG PHE A 33 89.711 -1.011 0.119 1.00 0.00 C ATOM 510 CD1 PHE A 33 90.102 -1.056 -1.226 1.00 0.00 C ATOM 511 CD2 PHE A 33 88.564 -0.295 0.482 1.00 0.00 C ATOM 512 CE1 PHE A 33 89.337 -0.384 -2.193 1.00 0.00 C ATOM 513 CE2 PHE A 33 87.813 0.371 -0.492 1.00 0.00 C ATOM 514 CZ PHE A 33 88.199 0.323 -1.821 1.00 0.00 C ATOM 0 H PHE A 33 91.495 -3.769 -0.607 1.00 0.00 H new ATOM 0 HA PHE A 33 90.246 -3.659 2.099 1.00 0.00 H new ATOM 0 HB2 PHE A 33 90.177 -1.377 2.177 1.00 0.00 H new ATOM 0 HB3 PHE A 33 91.558 -1.472 1.101 1.00 0.00 H new ATOM 0 HD1 PHE A 33 90.986 -1.604 -1.517 1.00 0.00 H new ATOM 0 HD2 PHE A 33 88.258 -0.257 1.517 1.00 0.00 H new ATOM 0 HE1 PHE A 33 89.634 -0.416 -3.231 1.00 0.00 H new ATOM 0 HE2 PHE A 33 86.930 0.924 -0.207 1.00 0.00 H new ATOM 0 HZ PHE A 33 87.615 0.836 -2.570 1.00 0.00 H new ATOM 524 N LEU A 34 87.923 -3.383 0.968 1.00 0.00 N ATOM 525 CA LEU A 34 86.631 -3.663 0.283 1.00 0.00 C ATOM 526 C LEU A 34 85.597 -2.609 0.665 1.00 0.00 C ATOM 527 O LEU A 34 85.583 -2.106 1.771 1.00 0.00 O ATOM 528 CB LEU A 34 86.127 -5.047 0.696 1.00 0.00 C ATOM 529 CG LEU A 34 85.918 -5.098 2.213 1.00 0.00 C ATOM 530 CD1 LEU A 34 84.530 -5.663 2.519 1.00 0.00 C ATOM 531 CD2 LEU A 34 86.978 -6.008 2.839 1.00 0.00 C ATOM 0 H LEU A 34 87.844 -3.065 1.934 1.00 0.00 H new ATOM 0 HA LEU A 34 86.785 -3.635 -0.796 1.00 0.00 H new ATOM 0 HB2 LEU A 34 85.191 -5.270 0.184 1.00 0.00 H new ATOM 0 HB3 LEU A 34 86.845 -5.810 0.394 1.00 0.00 H new ATOM 0 HG LEU A 34 86.003 -4.092 2.625 1.00 0.00 H new ATOM 0 HD11 LEU A 34 84.382 -5.699 3.598 1.00 0.00 H new ATOM 0 HD12 LEU A 34 83.770 -5.024 2.069 1.00 0.00 H new ATOM 0 HD13 LEU A 34 84.448 -6.669 2.108 1.00 0.00 H new ATOM 0 HD21 LEU A 34 86.833 -6.047 3.919 1.00 0.00 H new ATOM 0 HD22 LEU A 34 86.887 -7.012 2.424 1.00 0.00 H new ATOM 0 HD23 LEU A 34 87.971 -5.614 2.621 1.00 0.00 H new ATOM 543 N VAL A 35 84.711 -2.285 -0.237 1.00 0.00 N ATOM 544 CA VAL A 35 83.665 -1.281 0.081 1.00 0.00 C ATOM 545 C VAL A 35 82.437 -2.035 0.598 1.00 0.00 C ATOM 546 O VAL A 35 82.012 -3.015 0.019 1.00 0.00 O ATOM 547 CB VAL A 35 83.314 -0.473 -1.179 1.00 0.00 C ATOM 548 CG1 VAL A 35 82.065 0.368 -0.921 1.00 0.00 C ATOM 549 CG2 VAL A 35 84.471 0.470 -1.534 1.00 0.00 C ATOM 0 H VAL A 35 84.669 -2.674 -1.179 1.00 0.00 H new ATOM 0 HA VAL A 35 84.019 -0.581 0.838 1.00 0.00 H new ATOM 0 HB VAL A 35 83.135 -1.167 -2.000 1.00 0.00 H new ATOM 0 HG11 VAL A 35 81.820 0.939 -1.816 1.00 0.00 H new ATOM 0 HG12 VAL A 35 81.231 -0.287 -0.668 1.00 0.00 H new ATOM 0 HG13 VAL A 35 82.252 1.053 -0.094 1.00 0.00 H new ATOM 0 HG21 VAL A 35 84.215 1.039 -2.428 1.00 0.00 H new ATOM 0 HG22 VAL A 35 84.649 1.156 -0.706 1.00 0.00 H new ATOM 0 HG23 VAL A 35 85.372 -0.114 -1.721 1.00 0.00 H new ATOM 559 N ARG A 36 81.881 -1.603 1.691 1.00 0.00 N ATOM 560 CA ARG A 36 80.696 -2.310 2.260 1.00 0.00 C ATOM 561 C ARG A 36 79.730 -1.273 2.833 1.00 0.00 C ATOM 562 O ARG A 36 79.921 -0.084 2.660 1.00 0.00 O ATOM 563 CB ARG A 36 81.163 -3.265 3.369 1.00 0.00 C ATOM 564 CG ARG A 36 79.957 -3.929 4.036 1.00 0.00 C ATOM 565 CD ARG A 36 80.393 -5.248 4.672 1.00 0.00 C ATOM 566 NE ARG A 36 79.746 -5.394 6.008 1.00 0.00 N ATOM 567 CZ ARG A 36 79.734 -6.552 6.616 1.00 0.00 C ATOM 568 NH1 ARG A 36 80.320 -7.589 6.081 1.00 0.00 N ATOM 569 NH2 ARG A 36 79.140 -6.666 7.769 1.00 0.00 N ATOM 0 H ARG A 36 82.194 -0.789 2.219 1.00 0.00 H new ATOM 0 HA ARG A 36 80.191 -2.885 1.484 1.00 0.00 H new ATOM 0 HB2 ARG A 36 81.821 -4.026 2.950 1.00 0.00 H new ATOM 0 HB3 ARG A 36 81.742 -2.716 4.112 1.00 0.00 H new ATOM 0 HG2 ARG A 36 79.537 -3.268 4.794 1.00 0.00 H new ATOM 0 HG3 ARG A 36 79.173 -4.109 3.300 1.00 0.00 H new ATOM 0 HD2 ARG A 36 80.116 -6.083 4.029 1.00 0.00 H new ATOM 0 HD3 ARG A 36 81.478 -5.272 4.777 1.00 0.00 H new ATOM 0 HE ARG A 36 79.310 -4.585 6.451 1.00 0.00 H new ATOM 0 HH11 ARG A 36 80.792 -7.500 5.181 1.00 0.00 H new ATOM 0 HH12 ARG A 36 80.305 -8.488 6.563 1.00 0.00 H new ATOM 0 HH21 ARG A 36 78.688 -5.855 8.192 1.00 0.00 H new ATOM 0 HH22 ARG A 36 79.127 -7.566 8.249 1.00 0.00 H new ATOM 583 N GLU A 37 78.697 -1.696 3.508 1.00 0.00 N ATOM 584 CA GLU A 37 77.747 -0.722 4.072 1.00 0.00 C ATOM 585 C GLU A 37 77.956 -0.642 5.573 1.00 0.00 C ATOM 586 O GLU A 37 78.617 -1.474 6.163 1.00 0.00 O ATOM 587 CB GLU A 37 76.323 -1.198 3.793 1.00 0.00 C ATOM 588 CG GLU A 37 76.363 -2.352 2.787 1.00 0.00 C ATOM 589 CD GLU A 37 76.917 -1.855 1.452 1.00 0.00 C ATOM 590 OE1 GLU A 37 76.281 -1.007 0.848 1.00 0.00 O ATOM 591 OE2 GLU A 37 77.970 -2.333 1.054 1.00 0.00 O ATOM 0 H GLU A 37 78.477 -2.676 3.689 1.00 0.00 H new ATOM 0 HA GLU A 37 77.906 0.258 3.621 1.00 0.00 H new ATOM 0 HB2 GLU A 37 75.848 -1.524 4.719 1.00 0.00 H new ATOM 0 HB3 GLU A 37 75.724 -0.377 3.399 1.00 0.00 H new ATOM 0 HG2 GLU A 37 76.985 -3.160 3.171 1.00 0.00 H new ATOM 0 HG3 GLU A 37 75.362 -2.759 2.647 1.00 0.00 H new ATOM 677 N TYR A 44 76.899 3.611 3.781 1.00 0.00 N ATOM 678 CA TYR A 44 78.075 3.097 3.028 1.00 0.00 C ATOM 679 C TYR A 44 79.308 3.076 3.933 1.00 0.00 C ATOM 680 O TYR A 44 79.413 3.831 4.878 1.00 0.00 O ATOM 681 CB TYR A 44 78.327 4.000 1.822 1.00 0.00 C ATOM 682 CG TYR A 44 77.181 3.849 0.857 1.00 0.00 C ATOM 683 CD1 TYR A 44 75.923 4.381 1.166 1.00 0.00 C ATOM 684 CD2 TYR A 44 77.374 3.164 -0.347 1.00 0.00 C ATOM 685 CE1 TYR A 44 74.859 4.221 0.270 1.00 0.00 C ATOM 686 CE2 TYR A 44 76.313 3.008 -1.244 1.00 0.00 C ATOM 687 CZ TYR A 44 75.055 3.536 -0.934 1.00 0.00 C ATOM 688 OH TYR A 44 74.006 3.377 -1.818 1.00 0.00 O ATOM 0 HA TYR A 44 77.876 2.081 2.689 1.00 0.00 H new ATOM 0 HB2 TYR A 44 78.418 5.038 2.140 1.00 0.00 H new ATOM 0 HB3 TYR A 44 79.266 3.731 1.338 1.00 0.00 H new ATOM 0 HD1 TYR A 44 75.774 4.914 2.094 1.00 0.00 H new ATOM 0 HD2 TYR A 44 78.345 2.755 -0.584 1.00 0.00 H new ATOM 0 HE1 TYR A 44 73.887 4.626 0.508 1.00 0.00 H new ATOM 0 HE2 TYR A 44 76.464 2.481 -2.174 1.00 0.00 H new ATOM 0 HH TYR A 44 74.313 2.879 -2.604 1.00 0.00 H new ATOM 698 N ALA A 45 80.248 2.215 3.651 1.00 0.00 N ATOM 699 CA ALA A 45 81.471 2.150 4.491 1.00 0.00 C ATOM 700 C ALA A 45 82.432 1.136 3.870 1.00 0.00 C ATOM 701 O ALA A 45 82.009 0.149 3.313 1.00 0.00 O ATOM 702 CB ALA A 45 81.083 1.708 5.898 1.00 0.00 C ATOM 0 H ALA A 45 80.219 1.555 2.874 1.00 0.00 H new ATOM 0 HA ALA A 45 81.953 3.126 4.544 1.00 0.00 H new ATOM 0 HB1 ALA A 45 81.975 1.657 6.522 1.00 0.00 H new ATOM 0 HB2 ALA A 45 80.382 2.425 6.324 1.00 0.00 H new ATOM 0 HB3 ALA A 45 80.614 0.725 5.854 1.00 0.00 H new ATOM 708 N CYS A 46 83.717 1.358 3.943 1.00 0.00 N ATOM 709 CA CYS A 46 84.656 0.380 3.335 1.00 0.00 C ATOM 710 C CYS A 46 85.663 -0.075 4.390 1.00 0.00 C ATOM 711 O CYS A 46 85.922 0.609 5.363 1.00 0.00 O ATOM 712 CB CYS A 46 85.372 1.037 2.149 1.00 0.00 C ATOM 713 SG CYS A 46 86.402 2.394 2.745 1.00 0.00 S ATOM 0 H CYS A 46 84.150 2.165 4.392 1.00 0.00 H new ATOM 0 HA CYS A 46 84.110 -0.492 2.975 1.00 0.00 H new ATOM 0 HB2 CYS A 46 85.986 0.302 1.628 1.00 0.00 H new ATOM 0 HB3 CYS A 46 84.642 1.409 1.430 1.00 0.00 H new ATOM 0 HG CYS A 46 87.011 2.950 1.740 1.00 0.00 H new ATOM 719 N SER A 47 86.208 -1.242 4.212 1.00 0.00 N ATOM 720 CA SER A 47 87.176 -1.774 5.213 1.00 0.00 C ATOM 721 C SER A 47 88.536 -2.022 4.558 1.00 0.00 C ATOM 722 O SER A 47 88.630 -2.512 3.449 1.00 0.00 O ATOM 723 CB SER A 47 86.630 -3.082 5.791 1.00 0.00 C ATOM 724 OG SER A 47 87.532 -3.582 6.769 1.00 0.00 O ATOM 0 H SER A 47 86.027 -1.854 3.416 1.00 0.00 H new ATOM 0 HA SER A 47 87.306 -1.044 6.012 1.00 0.00 H new ATOM 0 HB2 SER A 47 85.650 -2.913 6.237 1.00 0.00 H new ATOM 0 HB3 SER A 47 86.496 -3.815 4.996 1.00 0.00 H new ATOM 0 HG SER A 47 87.462 -3.043 7.585 1.00 0.00 H new ATOM 730 N VAL A 48 89.592 -1.685 5.245 1.00 0.00 N ATOM 731 CA VAL A 48 90.944 -1.899 4.674 1.00 0.00 C ATOM 732 C VAL A 48 91.821 -2.611 5.701 1.00 0.00 C ATOM 733 O VAL A 48 91.701 -2.408 6.892 1.00 0.00 O ATOM 734 CB VAL A 48 91.575 -0.548 4.263 1.00 0.00 C ATOM 735 CG1 VAL A 48 90.624 0.614 4.579 1.00 0.00 C ATOM 736 CG2 VAL A 48 92.906 -0.326 4.992 1.00 0.00 C ATOM 0 H VAL A 48 89.574 -1.271 6.177 1.00 0.00 H new ATOM 0 HA VAL A 48 90.864 -2.520 3.782 1.00 0.00 H new ATOM 0 HB VAL A 48 91.756 -0.580 3.189 1.00 0.00 H new ATOM 0 HG11 VAL A 48 91.088 1.555 4.282 1.00 0.00 H new ATOM 0 HG12 VAL A 48 89.691 0.480 4.031 1.00 0.00 H new ATOM 0 HG13 VAL A 48 90.417 0.634 5.649 1.00 0.00 H new ATOM 0 HG21 VAL A 48 93.332 0.630 4.688 1.00 0.00 H new ATOM 0 HG22 VAL A 48 92.735 -0.321 6.068 1.00 0.00 H new ATOM 0 HG23 VAL A 48 93.598 -1.129 4.738 1.00 0.00 H new ATOM 746 N VAL A 49 92.702 -3.447 5.241 1.00 0.00 N ATOM 747 CA VAL A 49 93.597 -4.181 6.175 1.00 0.00 C ATOM 748 C VAL A 49 94.881 -3.383 6.367 1.00 0.00 C ATOM 749 O VAL A 49 95.472 -2.914 5.412 1.00 0.00 O ATOM 750 CB VAL A 49 93.942 -5.538 5.580 1.00 0.00 C ATOM 751 CG1 VAL A 49 94.758 -6.337 6.590 1.00 0.00 C ATOM 752 CG2 VAL A 49 92.664 -6.303 5.232 1.00 0.00 C ATOM 0 H VAL A 49 92.843 -3.656 4.253 1.00 0.00 H new ATOM 0 HA VAL A 49 93.095 -4.315 7.133 1.00 0.00 H new ATOM 0 HB VAL A 49 94.523 -5.392 4.669 1.00 0.00 H new ATOM 0 HG11 VAL A 49 95.007 -7.310 6.168 1.00 0.00 H new ATOM 0 HG12 VAL A 49 95.676 -5.797 6.825 1.00 0.00 H new ATOM 0 HG13 VAL A 49 94.175 -6.475 7.501 1.00 0.00 H new ATOM 0 HG21 VAL A 49 92.924 -7.272 4.807 1.00 0.00 H new ATOM 0 HG22 VAL A 49 92.071 -6.450 6.135 1.00 0.00 H new ATOM 0 HG23 VAL A 49 92.085 -5.732 4.506 1.00 0.00 H new ATOM 762 N VAL A 50 95.322 -3.218 7.584 1.00 0.00 N ATOM 763 CA VAL A 50 96.566 -2.442 7.805 1.00 0.00 C ATOM 764 C VAL A 50 97.603 -3.285 8.544 1.00 0.00 C ATOM 765 O VAL A 50 97.301 -4.307 9.129 1.00 0.00 O ATOM 766 CB VAL A 50 96.237 -1.166 8.596 1.00 0.00 C ATOM 767 CG1 VAL A 50 97.002 -1.133 9.929 1.00 0.00 C ATOM 768 CG2 VAL A 50 96.627 0.048 7.752 1.00 0.00 C ATOM 0 H VAL A 50 94.877 -3.585 8.425 1.00 0.00 H new ATOM 0 HA VAL A 50 96.991 -2.164 6.840 1.00 0.00 H new ATOM 0 HB VAL A 50 95.170 -1.150 8.816 1.00 0.00 H new ATOM 0 HG11 VAL A 50 96.752 -0.220 10.470 1.00 0.00 H new ATOM 0 HG12 VAL A 50 96.723 -1.999 10.530 1.00 0.00 H new ATOM 0 HG13 VAL A 50 98.074 -1.157 9.734 1.00 0.00 H new ATOM 0 HG21 VAL A 50 96.399 0.961 8.301 1.00 0.00 H new ATOM 0 HG22 VAL A 50 97.695 0.012 7.535 1.00 0.00 H new ATOM 0 HG23 VAL A 50 96.066 0.037 6.818 1.00 0.00 H new ATOM 778 N ASP A 51 98.829 -2.845 8.493 1.00 0.00 N ATOM 779 CA ASP A 51 99.952 -3.571 9.148 1.00 0.00 C ATOM 780 C ASP A 51 99.749 -3.626 10.659 1.00 0.00 C ATOM 781 O ASP A 51 100.633 -3.305 11.427 1.00 0.00 O ATOM 782 CB ASP A 51 101.241 -2.815 8.845 1.00 0.00 C ATOM 783 CG ASP A 51 101.211 -1.460 9.551 1.00 0.00 C ATOM 784 OD1 ASP A 51 100.369 -1.282 10.420 1.00 0.00 O ATOM 785 OD2 ASP A 51 102.034 -0.621 9.213 1.00 0.00 O ATOM 0 H ASP A 51 99.106 -1.989 8.012 1.00 0.00 H new ATOM 0 HA ASP A 51 99.997 -4.592 8.769 1.00 0.00 H new ATOM 0 HB2 ASP A 51 102.102 -3.393 9.180 1.00 0.00 H new ATOM 0 HB3 ASP A 51 101.350 -2.675 7.769 1.00 0.00 H new ATOM 790 N GLY A 52 98.599 -4.032 11.096 1.00 0.00 N ATOM 791 CA GLY A 52 98.361 -4.104 12.555 1.00 0.00 C ATOM 792 C GLY A 52 96.933 -4.570 12.826 1.00 0.00 C ATOM 793 O GLY A 52 96.703 -5.392 13.689 1.00 0.00 O ATOM 0 H GLY A 52 97.815 -4.317 10.509 1.00 0.00 H new ATOM 0 HA2 GLY A 52 99.071 -4.792 13.015 1.00 0.00 H new ATOM 0 HA3 GLY A 52 98.526 -3.126 13.008 1.00 0.00 H new ATOM 797 N GLU A 53 95.967 -4.058 12.106 1.00 0.00 N ATOM 798 CA GLU A 53 94.560 -4.496 12.373 1.00 0.00 C ATOM 799 C GLU A 53 93.661 -4.232 11.168 1.00 0.00 C ATOM 800 O GLU A 53 94.009 -3.501 10.262 1.00 0.00 O ATOM 801 CB GLU A 53 93.992 -3.723 13.568 1.00 0.00 C ATOM 802 CG GLU A 53 94.465 -4.326 14.896 1.00 0.00 C ATOM 803 CD GLU A 53 94.130 -5.817 14.947 1.00 0.00 C ATOM 804 OE1 GLU A 53 93.140 -6.203 14.344 1.00 0.00 O ATOM 805 OE2 GLU A 53 94.871 -6.549 15.584 1.00 0.00 O ATOM 0 H GLU A 53 96.084 -3.371 11.361 1.00 0.00 H new ATOM 0 HA GLU A 53 94.582 -5.566 12.580 1.00 0.00 H new ATOM 0 HB2 GLU A 53 94.301 -2.679 13.509 1.00 0.00 H new ATOM 0 HB3 GLU A 53 92.903 -3.736 13.528 1.00 0.00 H new ATOM 0 HG2 GLU A 53 95.540 -4.183 15.006 1.00 0.00 H new ATOM 0 HG3 GLU A 53 93.988 -3.810 15.729 1.00 0.00 H new ATOM 812 N VAL A 54 92.484 -4.807 11.175 1.00 0.00 N ATOM 813 CA VAL A 54 91.531 -4.582 10.063 1.00 0.00 C ATOM 814 C VAL A 54 90.971 -3.162 10.188 1.00 0.00 C ATOM 815 O VAL A 54 90.813 -2.654 11.279 1.00 0.00 O ATOM 816 CB VAL A 54 90.393 -5.588 10.179 1.00 0.00 C ATOM 817 CG1 VAL A 54 90.964 -6.994 10.364 1.00 0.00 C ATOM 818 CG2 VAL A 54 89.515 -5.226 11.375 1.00 0.00 C ATOM 0 H VAL A 54 92.147 -5.426 11.912 1.00 0.00 H new ATOM 0 HA VAL A 54 92.028 -4.704 9.101 1.00 0.00 H new ATOM 0 HB VAL A 54 89.793 -5.564 9.269 1.00 0.00 H new ATOM 0 HG11 VAL A 54 90.147 -7.711 10.447 1.00 0.00 H new ATOM 0 HG12 VAL A 54 91.586 -7.250 9.506 1.00 0.00 H new ATOM 0 HG13 VAL A 54 91.567 -7.025 11.271 1.00 0.00 H new ATOM 0 HG21 VAL A 54 88.700 -5.945 11.459 1.00 0.00 H new ATOM 0 HG22 VAL A 54 90.114 -5.248 12.286 1.00 0.00 H new ATOM 0 HG23 VAL A 54 89.104 -4.226 11.235 1.00 0.00 H new ATOM 828 N LYS A 55 90.675 -2.509 9.094 1.00 0.00 N ATOM 829 CA LYS A 55 90.141 -1.115 9.199 1.00 0.00 C ATOM 830 C LYS A 55 88.690 -1.057 8.713 1.00 0.00 C ATOM 831 O LYS A 55 88.292 -1.771 7.814 1.00 0.00 O ATOM 832 CB LYS A 55 90.999 -0.153 8.355 1.00 0.00 C ATOM 833 CG LYS A 55 92.459 -0.210 8.803 1.00 0.00 C ATOM 834 CD LYS A 55 92.498 -0.168 10.320 1.00 0.00 C ATOM 835 CE LYS A 55 93.887 0.225 10.807 1.00 0.00 C ATOM 836 NZ LYS A 55 94.524 -0.961 11.440 1.00 0.00 N ATOM 0 H LYS A 55 90.777 -2.872 8.146 1.00 0.00 H new ATOM 0 HA LYS A 55 90.179 -0.814 10.246 1.00 0.00 H new ATOM 0 HB2 LYS A 55 90.925 -0.419 7.301 1.00 0.00 H new ATOM 0 HB3 LYS A 55 90.621 0.864 8.454 1.00 0.00 H new ATOM 0 HG2 LYS A 55 92.933 -1.121 8.437 1.00 0.00 H new ATOM 0 HG3 LYS A 55 93.016 0.629 8.386 1.00 0.00 H new ATOM 0 HD2 LYS A 55 91.761 0.546 10.689 1.00 0.00 H new ATOM 0 HD3 LYS A 55 92.227 -1.143 10.724 1.00 0.00 H new ATOM 0 HE2 LYS A 55 94.493 0.580 9.973 1.00 0.00 H new ATOM 0 HE3 LYS A 55 93.819 1.044 11.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 95.453 -0.693 11.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 93.920 -1.310 12.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 94.645 -1.711 10.729 1.00 0.00 H new ATOM 850 N HIS A 56 87.899 -0.200 9.311 1.00 0.00 N ATOM 851 CA HIS A 56 86.472 -0.068 8.903 1.00 0.00 C ATOM 852 C HIS A 56 86.166 1.394 8.561 1.00 0.00 C ATOM 853 O HIS A 56 85.388 2.049 9.227 1.00 0.00 O ATOM 854 CB HIS A 56 85.573 -0.525 10.057 1.00 0.00 C ATOM 855 CG HIS A 56 85.590 -2.028 10.134 1.00 0.00 C ATOM 856 ND1 HIS A 56 85.912 -2.817 9.042 1.00 0.00 N ATOM 857 CD2 HIS A 56 85.306 -2.899 11.157 1.00 0.00 C ATOM 858 CE1 HIS A 56 85.809 -4.101 9.427 1.00 0.00 C ATOM 859 NE2 HIS A 56 85.442 -4.209 10.705 1.00 0.00 N ATOM 0 H HIS A 56 88.187 0.417 10.070 1.00 0.00 H new ATOM 0 HA HIS A 56 86.285 -0.687 8.026 1.00 0.00 H new ATOM 0 HB2 HIS A 56 85.922 -0.097 10.997 1.00 0.00 H new ATOM 0 HB3 HIS A 56 84.554 -0.169 9.903 1.00 0.00 H new ATOM 0 HD2 HIS A 56 85.021 -2.612 12.158 1.00 0.00 H new ATOM 0 HE1 HIS A 56 86.000 -4.944 8.779 1.00 0.00 H new ATOM 0 HE2 HIS A 56 85.293 -5.067 11.237 1.00 0.00 H new ATOM 867 N CYS A 57 86.766 1.912 7.519 1.00 0.00 N ATOM 868 CA CYS A 57 86.506 3.331 7.137 1.00 0.00 C ATOM 869 C CYS A 57 85.015 3.501 6.851 1.00 0.00 C ATOM 870 O CYS A 57 84.361 2.602 6.360 1.00 0.00 O ATOM 871 CB CYS A 57 87.312 3.686 5.884 1.00 0.00 C ATOM 872 SG CYS A 57 89.080 3.513 6.230 1.00 0.00 S ATOM 0 H CYS A 57 87.423 1.414 6.918 1.00 0.00 H new ATOM 0 HA CYS A 57 86.805 3.991 7.951 1.00 0.00 H new ATOM 0 HB2 CYS A 57 87.027 3.033 5.059 1.00 0.00 H new ATOM 0 HB3 CYS A 57 87.090 4.707 5.574 1.00 0.00 H new ATOM 0 HG CYS A 57 89.762 3.813 5.165 1.00 0.00 H new ATOM 878 N VAL A 58 84.466 4.636 7.182 1.00 0.00 N ATOM 879 CA VAL A 58 83.010 4.848 6.963 1.00 0.00 C ATOM 880 C VAL A 58 82.734 5.768 5.770 1.00 0.00 C ATOM 881 O VAL A 58 83.362 6.794 5.590 1.00 0.00 O ATOM 882 CB VAL A 58 82.410 5.464 8.227 1.00 0.00 C ATOM 883 CG1 VAL A 58 81.166 6.294 7.870 1.00 0.00 C ATOM 884 CG2 VAL A 58 82.015 4.336 9.181 1.00 0.00 C ATOM 0 H VAL A 58 84.963 5.425 7.595 1.00 0.00 H new ATOM 0 HA VAL A 58 82.555 3.882 6.744 1.00 0.00 H new ATOM 0 HB VAL A 58 83.144 6.117 8.700 1.00 0.00 H new ATOM 0 HG11 VAL A 58 80.746 6.729 8.777 1.00 0.00 H new ATOM 0 HG12 VAL A 58 81.446 7.091 7.182 1.00 0.00 H new ATOM 0 HG13 VAL A 58 80.423 5.651 7.398 1.00 0.00 H new ATOM 0 HG21 VAL A 58 81.585 4.761 10.088 1.00 0.00 H new ATOM 0 HG22 VAL A 58 81.280 3.692 8.698 1.00 0.00 H new ATOM 0 HG23 VAL A 58 82.898 3.751 9.438 1.00 0.00 H new ATOM 894 N ILE A 59 81.750 5.419 4.989 1.00 0.00 N ATOM 895 CA ILE A 59 81.345 6.264 3.835 1.00 0.00 C ATOM 896 C ILE A 59 79.922 6.747 4.124 1.00 0.00 C ATOM 897 O ILE A 59 79.080 5.972 4.541 1.00 0.00 O ATOM 898 CB ILE A 59 81.356 5.437 2.549 1.00 0.00 C ATOM 899 CG1 ILE A 59 82.764 4.889 2.291 1.00 0.00 C ATOM 900 CG2 ILE A 59 80.918 6.312 1.372 1.00 0.00 C ATOM 901 CD1 ILE A 59 83.762 6.041 2.192 1.00 0.00 C ATOM 0 H ILE A 59 81.200 4.568 5.106 1.00 0.00 H new ATOM 0 HA ILE A 59 82.031 7.101 3.704 1.00 0.00 H new ATOM 0 HB ILE A 59 80.664 4.602 2.655 1.00 0.00 H new ATOM 0 HG12 ILE A 59 83.054 4.214 3.096 1.00 0.00 H new ATOM 0 HG13 ILE A 59 82.774 4.308 1.369 1.00 0.00 H new ATOM 0 HG21 ILE A 59 80.926 5.721 0.456 1.00 0.00 H new ATOM 0 HG22 ILE A 59 79.911 6.687 1.553 1.00 0.00 H new ATOM 0 HG23 ILE A 59 81.605 7.152 1.268 1.00 0.00 H new ATOM 0 HD11 ILE A 59 84.760 5.643 2.009 1.00 0.00 H new ATOM 0 HD12 ILE A 59 83.477 6.699 1.371 1.00 0.00 H new ATOM 0 HD13 ILE A 59 83.762 6.604 3.125 1.00 0.00 H new ATOM 913 N ASN A 60 79.634 8.006 3.946 1.00 0.00 N ATOM 914 CA ASN A 60 78.245 8.481 4.269 1.00 0.00 C ATOM 915 C ASN A 60 77.539 8.996 3.015 1.00 0.00 C ATOM 916 O ASN A 60 77.782 10.099 2.561 1.00 0.00 O ATOM 917 CB ASN A 60 78.321 9.607 5.302 1.00 0.00 C ATOM 918 CG ASN A 60 78.913 9.060 6.603 1.00 0.00 C ATOM 919 OD1 ASN A 60 78.435 8.077 7.130 1.00 0.00 O ATOM 920 ND2 ASN A 60 79.939 9.659 7.148 1.00 0.00 N ATOM 0 H ASN A 60 80.278 8.717 3.600 1.00 0.00 H new ATOM 0 HA ASN A 60 77.677 7.641 4.669 1.00 0.00 H new ATOM 0 HB2 ASN A 60 78.937 10.423 4.923 1.00 0.00 H new ATOM 0 HB3 ASN A 60 77.327 10.016 5.485 1.00 0.00 H new ATOM 0 HD21 ASN A 60 80.337 9.300 8.016 1.00 0.00 H new ATOM 0 HD22 ASN A 60 80.341 10.485 6.706 1.00 0.00 H new ATOM 1167 N SER A 77 82.711 11.683 -8.453 1.00 0.00 N ATOM 1168 CA SER A 77 82.128 10.319 -8.651 1.00 0.00 C ATOM 1169 C SER A 77 82.658 9.362 -7.587 1.00 0.00 C ATOM 1170 O SER A 77 83.785 9.475 -7.140 1.00 0.00 O ATOM 1171 CB SER A 77 82.516 9.793 -10.032 1.00 0.00 C ATOM 1172 OG SER A 77 81.938 10.623 -11.029 1.00 0.00 O ATOM 0 HA SER A 77 81.043 10.385 -8.570 1.00 0.00 H new ATOM 0 HB2 SER A 77 83.601 9.780 -10.137 1.00 0.00 H new ATOM 0 HB3 SER A 77 82.172 8.766 -10.153 1.00 0.00 H new ATOM 0 HG SER A 77 81.893 11.545 -10.701 1.00 0.00 H new ATOM 1178 N LEU A 78 81.854 8.418 -7.184 1.00 0.00 N ATOM 1179 CA LEU A 78 82.299 7.444 -6.153 1.00 0.00 C ATOM 1180 C LEU A 78 83.528 6.702 -6.666 1.00 0.00 C ATOM 1181 O LEU A 78 84.471 6.462 -5.939 1.00 0.00 O ATOM 1182 CB LEU A 78 81.166 6.452 -5.880 1.00 0.00 C ATOM 1183 CG LEU A 78 80.051 7.171 -5.116 1.00 0.00 C ATOM 1184 CD1 LEU A 78 78.850 6.238 -4.923 1.00 0.00 C ATOM 1185 CD2 LEU A 78 80.582 7.607 -3.750 1.00 0.00 C ATOM 0 H LEU A 78 80.903 8.280 -7.527 1.00 0.00 H new ATOM 0 HA LEU A 78 82.552 7.964 -5.229 1.00 0.00 H new ATOM 0 HB2 LEU A 78 80.782 6.051 -6.818 1.00 0.00 H new ATOM 0 HB3 LEU A 78 81.536 5.607 -5.300 1.00 0.00 H new ATOM 0 HG LEU A 78 79.730 8.042 -5.687 1.00 0.00 H new ATOM 0 HD11 LEU A 78 78.065 6.763 -4.378 1.00 0.00 H new ATOM 0 HD12 LEU A 78 78.471 5.927 -5.896 1.00 0.00 H new ATOM 0 HD13 LEU A 78 79.159 5.359 -4.357 1.00 0.00 H new ATOM 0 HD21 LEU A 78 79.793 8.120 -3.200 1.00 0.00 H new ATOM 0 HD22 LEU A 78 80.905 6.730 -3.188 1.00 0.00 H new ATOM 0 HD23 LEU A 78 81.427 8.282 -3.887 1.00 0.00 H new ATOM 1197 N LYS A 79 83.531 6.352 -7.921 1.00 0.00 N ATOM 1198 CA LYS A 79 84.703 5.634 -8.491 1.00 0.00 C ATOM 1199 C LYS A 79 85.973 6.456 -8.243 1.00 0.00 C ATOM 1200 O LYS A 79 87.013 5.921 -7.926 1.00 0.00 O ATOM 1201 CB LYS A 79 84.502 5.465 -9.995 1.00 0.00 C ATOM 1202 CG LYS A 79 83.441 4.392 -10.262 1.00 0.00 C ATOM 1203 CD LYS A 79 83.192 4.295 -11.769 1.00 0.00 C ATOM 1204 CE LYS A 79 81.945 3.444 -12.038 1.00 0.00 C ATOM 1205 NZ LYS A 79 80.726 4.186 -11.602 1.00 0.00 N ATOM 0 H LYS A 79 82.771 6.532 -8.577 1.00 0.00 H new ATOM 0 HA LYS A 79 84.801 4.657 -8.017 1.00 0.00 H new ATOM 0 HB2 LYS A 79 84.194 6.412 -10.438 1.00 0.00 H new ATOM 0 HB3 LYS A 79 85.443 5.184 -10.467 1.00 0.00 H new ATOM 0 HG2 LYS A 79 83.774 3.430 -9.874 1.00 0.00 H new ATOM 0 HG3 LYS A 79 82.515 4.642 -9.744 1.00 0.00 H new ATOM 0 HD2 LYS A 79 83.060 5.292 -12.190 1.00 0.00 H new ATOM 0 HD3 LYS A 79 84.058 3.853 -12.262 1.00 0.00 H new ATOM 0 HE2 LYS A 79 81.877 3.206 -13.100 1.00 0.00 H new ATOM 0 HE3 LYS A 79 82.017 2.497 -11.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 79.892 3.798 -12.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 80.607 4.085 -10.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 80.828 5.193 -11.841 1.00 0.00 H new ATOM 1219 N GLU A 80 85.896 7.754 -8.395 1.00 0.00 N ATOM 1220 CA GLU A 80 87.105 8.607 -8.180 1.00 0.00 C ATOM 1221 C GLU A 80 87.587 8.488 -6.729 1.00 0.00 C ATOM 1222 O GLU A 80 88.772 8.432 -6.464 1.00 0.00 O ATOM 1223 CB GLU A 80 86.756 10.065 -8.487 1.00 0.00 C ATOM 1224 CG GLU A 80 88.003 10.938 -8.329 1.00 0.00 C ATOM 1225 CD GLU A 80 87.666 12.372 -8.731 1.00 0.00 C ATOM 1226 OE1 GLU A 80 86.550 12.594 -9.169 1.00 0.00 O ATOM 1227 OE2 GLU A 80 88.528 13.224 -8.592 1.00 0.00 O ATOM 0 H GLU A 80 85.050 8.259 -8.658 1.00 0.00 H new ATOM 0 HA GLU A 80 87.902 8.271 -8.844 1.00 0.00 H new ATOM 0 HB2 GLU A 80 86.367 10.150 -9.502 1.00 0.00 H new ATOM 0 HB3 GLU A 80 85.971 10.410 -7.815 1.00 0.00 H new ATOM 0 HG2 GLU A 80 88.353 10.910 -7.297 1.00 0.00 H new ATOM 0 HG3 GLU A 80 88.812 10.554 -8.951 1.00 0.00 H new ATOM 1234 N LEU A 81 86.683 8.457 -5.790 1.00 0.00 N ATOM 1235 CA LEU A 81 87.087 8.357 -4.359 1.00 0.00 C ATOM 1236 C LEU A 81 87.910 7.085 -4.132 1.00 0.00 C ATOM 1237 O LEU A 81 88.914 7.103 -3.450 1.00 0.00 O ATOM 1238 CB LEU A 81 85.827 8.320 -3.498 1.00 0.00 C ATOM 1239 CG LEU A 81 86.207 8.422 -2.022 1.00 0.00 C ATOM 1240 CD1 LEU A 81 85.087 9.128 -1.259 1.00 0.00 C ATOM 1241 CD2 LEU A 81 86.414 7.018 -1.445 1.00 0.00 C ATOM 0 H LEU A 81 85.677 8.497 -5.953 1.00 0.00 H new ATOM 0 HA LEU A 81 87.698 9.218 -4.088 1.00 0.00 H new ATOM 0 HB2 LEU A 81 85.165 9.142 -3.770 1.00 0.00 H new ATOM 0 HB3 LEU A 81 85.279 7.396 -3.679 1.00 0.00 H new ATOM 0 HG LEU A 81 87.131 8.991 -1.923 1.00 0.00 H new ATOM 0 HD11 LEU A 81 85.355 9.202 -0.205 1.00 0.00 H new ATOM 0 HD12 LEU A 81 84.942 10.128 -1.668 1.00 0.00 H new ATOM 0 HD13 LEU A 81 84.163 8.558 -1.359 1.00 0.00 H new ATOM 0 HD21 LEU A 81 86.685 7.094 -0.392 1.00 0.00 H new ATOM 0 HD22 LEU A 81 85.492 6.445 -1.542 1.00 0.00 H new ATOM 0 HD23 LEU A 81 87.213 6.515 -1.990 1.00 0.00 H new ATOM 1253 N VAL A 82 87.500 5.980 -4.684 1.00 0.00 N ATOM 1254 CA VAL A 82 88.278 4.727 -4.472 1.00 0.00 C ATOM 1255 C VAL A 82 89.677 4.889 -5.093 1.00 0.00 C ATOM 1256 O VAL A 82 90.667 4.432 -4.554 1.00 0.00 O ATOM 1257 CB VAL A 82 87.536 3.557 -5.122 1.00 0.00 C ATOM 1258 CG1 VAL A 82 88.338 2.262 -4.944 1.00 0.00 C ATOM 1259 CG2 VAL A 82 86.157 3.408 -4.464 1.00 0.00 C ATOM 0 H VAL A 82 86.668 5.888 -5.268 1.00 0.00 H new ATOM 0 HA VAL A 82 88.386 4.527 -3.406 1.00 0.00 H new ATOM 0 HB VAL A 82 87.416 3.752 -6.188 1.00 0.00 H new ATOM 0 HG11 VAL A 82 87.802 1.435 -5.410 1.00 0.00 H new ATOM 0 HG12 VAL A 82 89.315 2.372 -5.414 1.00 0.00 H new ATOM 0 HG13 VAL A 82 88.468 2.057 -3.881 1.00 0.00 H new ATOM 0 HG21 VAL A 82 85.623 2.576 -4.923 1.00 0.00 H new ATOM 0 HG22 VAL A 82 86.281 3.216 -3.398 1.00 0.00 H new ATOM 0 HG23 VAL A 82 85.586 4.326 -4.603 1.00 0.00 H new ATOM 1269 N LEU A 83 89.763 5.532 -6.229 1.00 0.00 N ATOM 1270 CA LEU A 83 91.086 5.726 -6.894 1.00 0.00 C ATOM 1271 C LEU A 83 91.898 6.802 -6.166 1.00 0.00 C ATOM 1272 O LEU A 83 93.100 6.692 -6.025 1.00 0.00 O ATOM 1273 CB LEU A 83 90.847 6.159 -8.340 1.00 0.00 C ATOM 1274 CG LEU A 83 90.257 4.992 -9.136 1.00 0.00 C ATOM 1275 CD1 LEU A 83 89.870 5.480 -10.535 1.00 0.00 C ATOM 1276 CD2 LEU A 83 91.300 3.875 -9.257 1.00 0.00 C ATOM 0 H LEU A 83 88.969 5.933 -6.727 1.00 0.00 H new ATOM 0 HA LEU A 83 91.646 4.791 -6.866 1.00 0.00 H new ATOM 0 HB2 LEU A 83 90.168 7.011 -8.367 1.00 0.00 H new ATOM 0 HB3 LEU A 83 91.784 6.484 -8.792 1.00 0.00 H new ATOM 0 HG LEU A 83 89.375 4.610 -8.623 1.00 0.00 H new ATOM 0 HD11 LEU A 83 89.449 4.652 -11.106 1.00 0.00 H new ATOM 0 HD12 LEU A 83 89.130 6.276 -10.451 1.00 0.00 H new ATOM 0 HD13 LEU A 83 90.755 5.860 -11.046 1.00 0.00 H new ATOM 0 HD21 LEU A 83 90.879 3.044 -9.824 1.00 0.00 H new ATOM 0 HD22 LEU A 83 92.182 4.255 -9.771 1.00 0.00 H new ATOM 0 HD23 LEU A 83 91.581 3.530 -8.262 1.00 0.00 H new ATOM 1288 N HIS A 84 91.265 7.847 -5.710 1.00 0.00 N ATOM 1289 CA HIS A 84 92.029 8.914 -5.005 1.00 0.00 C ATOM 1290 C HIS A 84 92.622 8.357 -3.711 1.00 0.00 C ATOM 1291 O HIS A 84 93.736 8.669 -3.341 1.00 0.00 O ATOM 1292 CB HIS A 84 91.110 10.086 -4.674 1.00 0.00 C ATOM 1293 CG HIS A 84 91.944 11.218 -4.142 1.00 0.00 C ATOM 1294 ND1 HIS A 84 92.394 11.246 -2.833 1.00 0.00 N ATOM 1295 CD2 HIS A 84 92.427 12.362 -4.729 1.00 0.00 C ATOM 1296 CE1 HIS A 84 93.116 12.371 -2.675 1.00 0.00 C ATOM 1297 NE2 HIS A 84 93.167 13.087 -3.800 1.00 0.00 N ATOM 0 H HIS A 84 90.261 8.008 -5.794 1.00 0.00 H new ATOM 0 HA HIS A 84 92.832 9.259 -5.657 1.00 0.00 H new ATOM 0 HB2 HIS A 84 90.567 10.403 -5.564 1.00 0.00 H new ATOM 0 HB3 HIS A 84 90.366 9.786 -3.936 1.00 0.00 H new ATOM 0 HD2 HIS A 84 92.258 12.654 -5.755 1.00 0.00 H new ATOM 0 HE1 HIS A 84 93.595 12.659 -1.751 1.00 0.00 H new ATOM 0 HE2 HIS A 84 93.646 13.975 -3.947 1.00 0.00 H new ATOM 1305 N TYR A 85 91.887 7.536 -3.017 1.00 0.00 N ATOM 1306 CA TYR A 85 92.410 6.963 -1.747 1.00 0.00 C ATOM 1307 C TYR A 85 93.578 6.036 -2.068 1.00 0.00 C ATOM 1308 O TYR A 85 94.479 5.845 -1.274 1.00 0.00 O ATOM 1309 CB TYR A 85 91.298 6.184 -1.051 1.00 0.00 C ATOM 1310 CG TYR A 85 90.356 7.142 -0.346 1.00 0.00 C ATOM 1311 CD1 TYR A 85 90.245 8.482 -0.759 1.00 0.00 C ATOM 1312 CD2 TYR A 85 89.587 6.681 0.730 1.00 0.00 C ATOM 1313 CE1 TYR A 85 89.367 9.351 -0.092 1.00 0.00 C ATOM 1314 CE2 TYR A 85 88.712 7.550 1.393 1.00 0.00 C ATOM 1315 CZ TYR A 85 88.601 8.883 0.982 1.00 0.00 C ATOM 1316 OH TYR A 85 87.735 9.737 1.638 1.00 0.00 O ATOM 0 H TYR A 85 90.946 7.237 -3.274 1.00 0.00 H new ATOM 0 HA TYR A 85 92.752 7.760 -1.087 1.00 0.00 H new ATOM 0 HB2 TYR A 85 90.747 5.590 -1.781 1.00 0.00 H new ATOM 0 HB3 TYR A 85 91.727 5.487 -0.331 1.00 0.00 H new ATOM 0 HD1 TYR A 85 90.835 8.842 -1.589 1.00 0.00 H new ATOM 0 HD2 TYR A 85 89.669 5.653 1.049 1.00 0.00 H new ATOM 0 HE1 TYR A 85 89.283 10.380 -0.408 1.00 0.00 H new ATOM 0 HE2 TYR A 85 88.122 7.191 2.223 1.00 0.00 H new ATOM 0 HH TYR A 85 87.280 9.252 2.358 1.00 0.00 H new ATOM 1326 N GLN A 86 93.572 5.470 -3.240 1.00 0.00 N ATOM 1327 CA GLN A 86 94.682 4.571 -3.646 1.00 0.00 C ATOM 1328 C GLN A 86 95.980 5.371 -3.713 1.00 0.00 C ATOM 1329 O GLN A 86 97.047 4.871 -3.426 1.00 0.00 O ATOM 1330 CB GLN A 86 94.373 3.991 -5.027 1.00 0.00 C ATOM 1331 CG GLN A 86 95.572 3.181 -5.523 1.00 0.00 C ATOM 1332 CD GLN A 86 95.216 2.470 -6.832 1.00 0.00 C ATOM 1333 OE1 GLN A 86 94.238 1.752 -6.905 1.00 0.00 O ATOM 1334 NE2 GLN A 86 95.978 2.641 -7.878 1.00 0.00 N ATOM 0 H GLN A 86 92.839 5.593 -3.939 1.00 0.00 H new ATOM 0 HA GLN A 86 94.789 3.764 -2.921 1.00 0.00 H new ATOM 0 HB2 GLN A 86 93.488 3.356 -4.976 1.00 0.00 H new ATOM 0 HB3 GLN A 86 94.149 4.795 -5.728 1.00 0.00 H new ATOM 0 HG2 GLN A 86 96.427 3.839 -5.677 1.00 0.00 H new ATOM 0 HG3 GLN A 86 95.864 2.449 -4.770 1.00 0.00 H new ATOM 0 HE21 GLN A 86 96.799 3.243 -7.818 1.00 0.00 H new ATOM 0 HE22 GLN A 86 95.752 2.172 -8.755 1.00 0.00 H new ATOM 1343 N HIS A 87 95.904 6.609 -4.111 1.00 0.00 N ATOM 1344 CA HIS A 87 97.142 7.426 -4.212 1.00 0.00 C ATOM 1345 C HIS A 87 97.402 8.155 -2.892 1.00 0.00 C ATOM 1346 O HIS A 87 98.474 8.681 -2.668 1.00 0.00 O ATOM 1347 CB HIS A 87 96.976 8.446 -5.341 1.00 0.00 C ATOM 1348 CG HIS A 87 96.764 7.706 -6.626 1.00 0.00 C ATOM 1349 ND1 HIS A 87 97.726 6.861 -7.141 1.00 0.00 N ATOM 1350 CD2 HIS A 87 95.710 7.660 -7.504 1.00 0.00 C ATOM 1351 CE1 HIS A 87 97.242 6.341 -8.279 1.00 0.00 C ATOM 1352 NE2 HIS A 87 96.014 6.795 -8.550 1.00 0.00 N ATOM 0 H HIS A 87 95.042 7.088 -4.370 1.00 0.00 H new ATOM 0 HA HIS A 87 97.989 6.774 -4.424 1.00 0.00 H new ATOM 0 HB2 HIS A 87 96.129 9.101 -5.137 1.00 0.00 H new ATOM 0 HB3 HIS A 87 97.860 9.080 -5.411 1.00 0.00 H new ATOM 0 HD2 HIS A 87 94.787 8.211 -7.399 1.00 0.00 H new ATOM 0 HE1 HIS A 87 97.779 5.640 -8.901 1.00 0.00 H new ATOM 0 HE2 HIS A 87 95.427 6.558 -9.350 1.00 0.00 H new ATOM 1360 N THR A 88 96.438 8.195 -2.016 1.00 0.00 N ATOM 1361 CA THR A 88 96.649 8.902 -0.720 1.00 0.00 C ATOM 1362 C THR A 88 96.949 7.899 0.392 1.00 0.00 C ATOM 1363 O THR A 88 96.310 6.873 0.507 1.00 0.00 O ATOM 1364 CB THR A 88 95.395 9.695 -0.356 1.00 0.00 C ATOM 1365 OG1 THR A 88 95.110 10.631 -1.389 1.00 0.00 O ATOM 1366 CG2 THR A 88 95.635 10.425 0.966 1.00 0.00 C ATOM 0 H THR A 88 95.518 7.772 -2.139 1.00 0.00 H new ATOM 0 HA THR A 88 97.497 9.579 -0.828 1.00 0.00 H new ATOM 0 HB THR A 88 94.545 9.021 -0.247 1.00 0.00 H new ATOM 0 HG1 THR A 88 94.656 10.175 -2.128 1.00 0.00 H new ATOM 0 HG21 THR A 88 94.745 10.994 1.234 1.00 0.00 H new ATOM 0 HG22 THR A 88 95.851 9.698 1.749 1.00 0.00 H new ATOM 0 HG23 THR A 88 96.481 11.104 0.858 1.00 0.00 H new ATOM 1374 N SER A 89 97.919 8.190 1.217 1.00 0.00 N ATOM 1375 CA SER A 89 98.251 7.254 2.321 1.00 0.00 C ATOM 1376 C SER A 89 97.350 7.562 3.522 1.00 0.00 C ATOM 1377 O SER A 89 97.272 8.684 3.981 1.00 0.00 O ATOM 1378 CB SER A 89 99.721 7.421 2.710 1.00 0.00 C ATOM 1379 OG SER A 89 100.043 6.486 3.734 1.00 0.00 O ATOM 0 H SER A 89 98.492 9.033 1.172 1.00 0.00 H new ATOM 0 HA SER A 89 98.088 6.226 1.999 1.00 0.00 H new ATOM 0 HB2 SER A 89 100.360 7.262 1.841 1.00 0.00 H new ATOM 0 HB3 SER A 89 99.904 8.437 3.058 1.00 0.00 H new ATOM 0 HG SER A 89 100.985 6.588 3.986 1.00 0.00 H new ATOM 1385 N LEU A 90 96.650 6.573 4.016 1.00 0.00 N ATOM 1386 CA LEU A 90 95.736 6.799 5.176 1.00 0.00 C ATOM 1387 C LEU A 90 96.547 7.143 6.436 1.00 0.00 C ATOM 1388 O LEU A 90 96.025 7.712 7.371 1.00 0.00 O ATOM 1389 CB LEU A 90 94.907 5.535 5.420 1.00 0.00 C ATOM 1390 CG LEU A 90 93.921 5.348 4.267 1.00 0.00 C ATOM 1391 CD1 LEU A 90 93.169 4.031 4.447 1.00 0.00 C ATOM 1392 CD2 LEU A 90 92.915 6.496 4.265 1.00 0.00 C ATOM 0 H LEU A 90 96.672 5.616 3.665 1.00 0.00 H new ATOM 0 HA LEU A 90 95.073 7.634 4.951 1.00 0.00 H new ATOM 0 HB2 LEU A 90 95.561 4.667 5.499 1.00 0.00 H new ATOM 0 HB3 LEU A 90 94.369 5.616 6.365 1.00 0.00 H new ATOM 0 HG LEU A 90 94.469 5.335 3.325 1.00 0.00 H new ATOM 0 HD11 LEU A 90 92.466 3.898 3.625 1.00 0.00 H new ATOM 0 HD12 LEU A 90 93.879 3.204 4.454 1.00 0.00 H new ATOM 0 HD13 LEU A 90 92.624 4.049 5.391 1.00 0.00 H new ATOM 0 HD21 LEU A 90 92.212 6.362 3.443 1.00 0.00 H new ATOM 0 HD22 LEU A 90 92.371 6.505 5.210 1.00 0.00 H new ATOM 0 HD23 LEU A 90 93.442 7.442 4.141 1.00 0.00 H new ATOM 1404 N VAL A 91 97.821 6.805 6.455 1.00 0.00 N ATOM 1405 CA VAL A 91 98.708 7.108 7.639 1.00 0.00 C ATOM 1406 C VAL A 91 98.038 8.141 8.559 1.00 0.00 C ATOM 1407 O VAL A 91 97.957 7.956 9.756 1.00 0.00 O ATOM 1408 CB VAL A 91 100.018 7.681 7.092 1.00 0.00 C ATOM 1409 CG1 VAL A 91 99.740 9.034 6.439 1.00 0.00 C ATOM 1410 CG2 VAL A 91 101.043 7.859 8.216 1.00 0.00 C ATOM 0 H VAL A 91 98.293 6.324 5.689 1.00 0.00 H new ATOM 0 HA VAL A 91 98.887 6.203 8.220 1.00 0.00 H new ATOM 0 HB VAL A 91 100.426 6.987 6.357 1.00 0.00 H new ATOM 0 HG11 VAL A 91 100.670 9.447 6.048 1.00 0.00 H new ATOM 0 HG12 VAL A 91 99.028 8.905 5.623 1.00 0.00 H new ATOM 0 HG13 VAL A 91 99.323 9.717 7.180 1.00 0.00 H new ATOM 0 HG21 VAL A 91 101.966 8.267 7.805 1.00 0.00 H new ATOM 0 HG22 VAL A 91 100.646 8.543 8.966 1.00 0.00 H new ATOM 0 HG23 VAL A 91 101.247 6.893 8.678 1.00 0.00 H new ATOM 1420 N GLN A 92 97.542 9.215 7.998 1.00 0.00 N ATOM 1421 CA GLN A 92 96.848 10.260 8.815 1.00 0.00 C ATOM 1422 C GLN A 92 97.741 10.733 9.965 1.00 0.00 C ATOM 1423 O GLN A 92 98.852 10.271 10.136 1.00 0.00 O ATOM 1424 CB GLN A 92 95.559 9.664 9.376 1.00 0.00 C ATOM 1425 CG GLN A 92 94.743 10.752 10.077 1.00 0.00 C ATOM 1426 CD GLN A 92 93.270 10.334 10.109 1.00 0.00 C ATOM 1427 OE1 GLN A 92 92.806 9.640 9.227 1.00 0.00 O ATOM 1428 NE2 GLN A 92 92.512 10.732 11.095 1.00 0.00 N ATOM 0 H GLN A 92 97.588 9.415 6.999 1.00 0.00 H new ATOM 0 HA GLN A 92 96.624 11.120 8.183 1.00 0.00 H new ATOM 0 HB2 GLN A 92 94.973 9.220 8.571 1.00 0.00 H new ATOM 0 HB3 GLN A 92 95.794 8.864 10.078 1.00 0.00 H new ATOM 0 HG2 GLN A 92 95.112 10.904 11.091 1.00 0.00 H new ATOM 0 HG3 GLN A 92 94.853 11.701 9.552 1.00 0.00 H new ATOM 0 HE21 GLN A 92 92.903 11.315 11.835 1.00 0.00 H new ATOM 0 HE22 GLN A 92 91.529 10.460 11.125 1.00 0.00 H new ATOM 1437 N HIS A 93 97.255 11.659 10.752 1.00 0.00 N ATOM 1438 CA HIS A 93 98.064 12.177 11.890 1.00 0.00 C ATOM 1439 C HIS A 93 98.398 11.025 12.842 1.00 0.00 C ATOM 1440 O HIS A 93 99.423 11.030 13.494 1.00 0.00 O ATOM 1441 CB HIS A 93 97.275 13.263 12.627 1.00 0.00 C ATOM 1442 CG HIS A 93 97.050 14.437 11.706 1.00 0.00 C ATOM 1443 ND1 HIS A 93 98.099 15.155 11.146 1.00 0.00 N ATOM 1444 CD2 HIS A 93 95.902 15.025 11.231 1.00 0.00 C ATOM 1445 CE1 HIS A 93 97.565 16.120 10.374 1.00 0.00 C ATOM 1446 NE2 HIS A 93 96.231 16.085 10.391 1.00 0.00 N ATOM 0 H HIS A 93 96.330 12.078 10.653 1.00 0.00 H new ATOM 0 HA HIS A 93 98.992 12.609 11.516 1.00 0.00 H new ATOM 0 HB2 HIS A 93 96.319 12.865 12.966 1.00 0.00 H new ATOM 0 HB3 HIS A 93 97.820 13.583 13.515 1.00 0.00 H new ATOM 0 HD2 HIS A 93 94.897 14.712 11.473 1.00 0.00 H new ATOM 0 HE1 HIS A 93 98.145 16.835 9.810 1.00 0.00 H new ATOM 0 HE2 HIS A 93 95.589 16.703 9.894 1.00 0.00 H new ATOM 1454 N ASN A 94 97.552 10.030 12.921 1.00 0.00 N ATOM 1455 CA ASN A 94 97.843 8.880 13.824 1.00 0.00 C ATOM 1456 C ASN A 94 99.192 8.280 13.437 1.00 0.00 C ATOM 1457 O ASN A 94 99.858 7.648 14.232 1.00 0.00 O ATOM 1458 CB ASN A 94 96.756 7.814 13.674 1.00 0.00 C ATOM 1459 CG ASN A 94 95.438 8.349 14.243 1.00 0.00 C ATOM 1460 OD1 ASN A 94 95.427 8.986 15.277 1.00 0.00 O ATOM 1461 ND2 ASN A 94 94.318 8.110 13.611 1.00 0.00 N ATOM 0 H ASN A 94 96.677 9.965 12.401 1.00 0.00 H new ATOM 0 HA ASN A 94 97.867 9.224 14.858 1.00 0.00 H new ATOM 0 HB2 ASN A 94 96.631 7.551 12.624 1.00 0.00 H new ATOM 0 HB3 ASN A 94 97.049 6.904 14.198 1.00 0.00 H new ATOM 0 HD21 ASN A 94 93.436 8.459 13.987 1.00 0.00 H new ATOM 0 HD22 ASN A 94 94.327 7.575 12.743 1.00 0.00 H new ATOM 1468 N ASP A 95 99.596 8.478 12.219 1.00 0.00 N ATOM 1469 CA ASP A 95 100.900 7.929 11.765 1.00 0.00 C ATOM 1470 C ASP A 95 100.895 6.398 11.850 1.00 0.00 C ATOM 1471 O ASP A 95 101.872 5.797 12.253 1.00 0.00 O ATOM 1472 CB ASP A 95 102.020 8.473 12.652 1.00 0.00 C ATOM 1473 CG ASP A 95 103.370 8.200 11.984 1.00 0.00 C ATOM 1474 OD1 ASP A 95 103.516 8.549 10.826 1.00 0.00 O ATOM 1475 OD2 ASP A 95 104.234 7.645 12.643 1.00 0.00 O ATOM 0 H ASP A 95 99.077 9.000 11.513 1.00 0.00 H new ATOM 0 HA ASP A 95 101.063 8.229 10.730 1.00 0.00 H new ATOM 0 HB2 ASP A 95 101.888 9.544 12.809 1.00 0.00 H new ATOM 0 HB3 ASP A 95 101.984 8.001 13.634 1.00 0.00 H new ATOM 1480 N SER A 96 99.822 5.749 11.467 1.00 0.00 N ATOM 1481 CA SER A 96 99.819 4.254 11.531 1.00 0.00 C ATOM 1482 C SER A 96 98.958 3.658 10.424 1.00 0.00 C ATOM 1483 O SER A 96 98.876 2.456 10.275 1.00 0.00 O ATOM 1484 CB SER A 96 99.288 3.780 12.883 1.00 0.00 C ATOM 1485 OG SER A 96 100.151 4.248 13.909 1.00 0.00 O ATOM 0 H SER A 96 98.965 6.179 11.120 1.00 0.00 H new ATOM 0 HA SER A 96 100.848 3.918 11.400 1.00 0.00 H new ATOM 0 HB2 SER A 96 98.277 4.154 13.042 1.00 0.00 H new ATOM 0 HB3 SER A 96 99.233 2.692 12.905 1.00 0.00 H new ATOM 0 HG SER A 96 99.816 3.949 14.780 1.00 0.00 H new ATOM 1491 N LEU A 97 98.330 4.471 9.644 1.00 0.00 N ATOM 1492 CA LEU A 97 97.489 3.929 8.548 1.00 0.00 C ATOM 1493 C LEU A 97 98.257 4.064 7.241 1.00 0.00 C ATOM 1494 O LEU A 97 97.770 4.604 6.269 1.00 0.00 O ATOM 1495 CB LEU A 97 96.197 4.728 8.473 1.00 0.00 C ATOM 1496 CG LEU A 97 95.380 4.511 9.741 1.00 0.00 C ATOM 1497 CD1 LEU A 97 94.201 5.484 9.739 1.00 0.00 C ATOM 1498 CD2 LEU A 97 94.856 3.074 9.770 1.00 0.00 C ATOM 0 H LEU A 97 98.358 5.488 9.712 1.00 0.00 H new ATOM 0 HA LEU A 97 97.252 2.881 8.729 1.00 0.00 H new ATOM 0 HB2 LEU A 97 96.421 5.788 8.351 1.00 0.00 H new ATOM 0 HB3 LEU A 97 95.620 4.422 7.601 1.00 0.00 H new ATOM 0 HG LEU A 97 96.003 4.684 10.619 1.00 0.00 H new ATOM 0 HD11 LEU A 97 93.608 5.339 10.642 1.00 0.00 H new ATOM 0 HD12 LEU A 97 94.574 6.508 9.711 1.00 0.00 H new ATOM 0 HD13 LEU A 97 93.579 5.300 8.863 1.00 0.00 H new ATOM 0 HD21 LEU A 97 94.272 2.918 10.677 1.00 0.00 H new ATOM 0 HD22 LEU A 97 94.226 2.899 8.898 1.00 0.00 H new ATOM 0 HD23 LEU A 97 95.696 2.380 9.756 1.00 0.00 H new ATOM 1510 N ASN A 98 99.465 3.583 7.221 1.00 0.00 N ATOM 1511 CA ASN A 98 100.292 3.698 5.992 1.00 0.00 C ATOM 1512 C ASN A 98 99.860 2.648 4.980 1.00 0.00 C ATOM 1513 O ASN A 98 100.569 1.702 4.697 1.00 0.00 O ATOM 1514 CB ASN A 98 101.758 3.502 6.361 1.00 0.00 C ATOM 1515 CG ASN A 98 102.427 4.872 6.496 1.00 0.00 C ATOM 1516 OD1 ASN A 98 102.391 5.491 7.645 1.00 0.00 O flip ATOM 1517 ND2 ASN A 98 102.979 5.387 5.545 1.00 0.00 N flip ATOM 0 H ASN A 98 99.917 3.113 8.006 1.00 0.00 H new ATOM 0 HA ASN A 98 100.159 4.684 5.548 1.00 0.00 H new ATOM 0 HB2 ASN A 98 101.840 2.950 7.297 1.00 0.00 H new ATOM 0 HB3 ASN A 98 102.262 2.911 5.597 1.00 0.00 H new ATOM 0 HD21 ASN A 98 103.007 4.903 4.648 1.00 0.00 H new ATOM 0 HD22 ASN A 98 103.415 6.304 5.643 1.00 0.00 H new ATOM 1524 N VAL A 99 98.700 2.827 4.426 1.00 0.00 N ATOM 1525 CA VAL A 99 98.186 1.874 3.414 1.00 0.00 C ATOM 1526 C VAL A 99 97.299 2.646 2.457 1.00 0.00 C ATOM 1527 O VAL A 99 96.714 3.648 2.812 1.00 0.00 O ATOM 1528 CB VAL A 99 97.359 0.787 4.101 1.00 0.00 C ATOM 1529 CG1 VAL A 99 96.519 0.037 3.063 1.00 0.00 C ATOM 1530 CG2 VAL A 99 98.301 -0.194 4.804 1.00 0.00 C ATOM 0 H VAL A 99 98.076 3.606 4.635 1.00 0.00 H new ATOM 0 HA VAL A 99 99.014 1.405 2.882 1.00 0.00 H new ATOM 0 HB VAL A 99 96.694 1.246 4.832 1.00 0.00 H new ATOM 0 HG11 VAL A 99 95.932 -0.736 3.559 1.00 0.00 H new ATOM 0 HG12 VAL A 99 95.849 0.736 2.563 1.00 0.00 H new ATOM 0 HG13 VAL A 99 97.177 -0.424 2.327 1.00 0.00 H new ATOM 0 HG21 VAL A 99 97.716 -0.971 5.296 1.00 0.00 H new ATOM 0 HG22 VAL A 99 98.966 -0.650 4.070 1.00 0.00 H new ATOM 0 HG23 VAL A 99 98.893 0.340 5.548 1.00 0.00 H new ATOM 1540 N THR A 100 97.179 2.196 1.255 1.00 0.00 N ATOM 1541 CA THR A 100 96.309 2.916 0.303 1.00 0.00 C ATOM 1542 C THR A 100 95.281 1.923 -0.231 1.00 0.00 C ATOM 1543 O THR A 100 95.500 0.731 -0.207 1.00 0.00 O ATOM 1544 CB THR A 100 97.151 3.476 -0.842 1.00 0.00 C ATOM 1545 OG1 THR A 100 97.580 2.416 -1.684 1.00 0.00 O ATOM 1546 CG2 THR A 100 98.375 4.193 -0.267 1.00 0.00 C ATOM 0 H THR A 100 97.642 1.365 0.888 1.00 0.00 H new ATOM 0 HA THR A 100 95.806 3.749 0.794 1.00 0.00 H new ATOM 0 HB THR A 100 96.551 4.178 -1.422 1.00 0.00 H new ATOM 0 HG1 THR A 100 97.600 2.725 -2.614 1.00 0.00 H new ATOM 0 HG21 THR A 100 98.978 4.594 -1.082 1.00 0.00 H new ATOM 0 HG22 THR A 100 98.049 5.009 0.378 1.00 0.00 H new ATOM 0 HG23 THR A 100 98.971 3.488 0.312 1.00 0.00 H new ATOM 1554 N LEU A 101 94.165 2.387 -0.707 1.00 0.00 N ATOM 1555 CA LEU A 101 93.148 1.434 -1.228 1.00 0.00 C ATOM 1556 C LEU A 101 93.516 1.061 -2.659 1.00 0.00 C ATOM 1557 O LEU A 101 92.869 1.464 -3.604 1.00 0.00 O ATOM 1558 CB LEU A 101 91.777 2.098 -1.200 1.00 0.00 C ATOM 1559 CG LEU A 101 91.511 2.657 0.202 1.00 0.00 C ATOM 1560 CD1 LEU A 101 90.069 3.164 0.278 1.00 0.00 C ATOM 1561 CD2 LEU A 101 91.735 1.561 1.255 1.00 0.00 C ATOM 0 H LEU A 101 93.912 3.374 -0.759 1.00 0.00 H new ATOM 0 HA LEU A 101 93.121 0.535 -0.612 1.00 0.00 H new ATOM 0 HB2 LEU A 101 91.734 2.900 -1.937 1.00 0.00 H new ATOM 0 HB3 LEU A 101 91.006 1.376 -1.468 1.00 0.00 H new ATOM 0 HG LEU A 101 92.197 3.480 0.400 1.00 0.00 H new ATOM 0 HD11 LEU A 101 89.875 3.563 1.274 1.00 0.00 H new ATOM 0 HD12 LEU A 101 89.920 3.950 -0.463 1.00 0.00 H new ATOM 0 HD13 LEU A 101 89.383 2.341 0.077 1.00 0.00 H new ATOM 0 HD21 LEU A 101 91.544 1.967 2.249 1.00 0.00 H new ATOM 0 HD22 LEU A 101 91.056 0.730 1.065 1.00 0.00 H new ATOM 0 HD23 LEU A 101 92.765 1.208 1.199 1.00 0.00 H new ATOM 1573 N ALA A 102 94.576 0.325 -2.825 1.00 0.00 N ATOM 1574 CA ALA A 102 95.027 -0.045 -4.195 1.00 0.00 C ATOM 1575 C ALA A 102 94.708 -1.509 -4.532 1.00 0.00 C ATOM 1576 O ALA A 102 94.725 -1.897 -5.683 1.00 0.00 O ATOM 1577 CB ALA A 102 96.537 0.162 -4.266 1.00 0.00 C ATOM 0 H ALA A 102 95.154 -0.039 -2.067 1.00 0.00 H new ATOM 0 HA ALA A 102 94.500 0.581 -4.915 1.00 0.00 H new ATOM 0 HB1 ALA A 102 96.894 -0.102 -5.261 1.00 0.00 H new ATOM 0 HB2 ALA A 102 96.771 1.207 -4.062 1.00 0.00 H new ATOM 0 HB3 ALA A 102 97.026 -0.470 -3.525 1.00 0.00 H new ATOM 1583 N TYR A 103 94.459 -2.341 -3.558 1.00 0.00 N ATOM 1584 CA TYR A 103 94.199 -3.776 -3.874 1.00 0.00 C ATOM 1585 C TYR A 103 92.745 -4.180 -3.576 1.00 0.00 C ATOM 1586 O TYR A 103 92.359 -4.296 -2.433 1.00 0.00 O ATOM 1587 CB TYR A 103 95.141 -4.629 -3.022 1.00 0.00 C ATOM 1588 CG TYR A 103 96.554 -4.482 -3.540 1.00 0.00 C ATOM 1589 CD1 TYR A 103 97.385 -3.461 -3.054 1.00 0.00 C ATOM 1590 CD2 TYR A 103 97.032 -5.363 -4.518 1.00 0.00 C ATOM 1591 CE1 TYR A 103 98.690 -3.326 -3.547 1.00 0.00 C ATOM 1592 CE2 TYR A 103 98.334 -5.226 -5.010 1.00 0.00 C ATOM 1593 CZ TYR A 103 99.164 -4.209 -4.528 1.00 0.00 C ATOM 1594 OH TYR A 103 100.450 -4.080 -5.018 1.00 0.00 O ATOM 0 H TYR A 103 94.424 -2.095 -2.569 1.00 0.00 H new ATOM 0 HA TYR A 103 94.371 -3.933 -4.939 1.00 0.00 H new ATOM 0 HB2 TYR A 103 95.089 -4.317 -1.979 1.00 0.00 H new ATOM 0 HB3 TYR A 103 94.835 -5.675 -3.057 1.00 0.00 H new ATOM 0 HD1 TYR A 103 97.019 -2.779 -2.300 1.00 0.00 H new ATOM 0 HD2 TYR A 103 96.394 -6.150 -4.893 1.00 0.00 H new ATOM 0 HE1 TYR A 103 99.331 -2.542 -3.171 1.00 0.00 H new ATOM 0 HE2 TYR A 103 98.699 -5.907 -5.764 1.00 0.00 H new ATOM 0 HH TYR A 103 100.615 -4.774 -5.690 1.00 0.00 H new ATOM 1604 N PRO A 104 91.949 -4.430 -4.597 1.00 0.00 N ATOM 1605 CA PRO A 104 90.531 -4.869 -4.410 1.00 0.00 C ATOM 1606 C PRO A 104 90.460 -6.212 -3.680 1.00 0.00 C ATOM 1607 O PRO A 104 91.284 -7.080 -3.890 1.00 0.00 O ATOM 1608 CB PRO A 104 89.990 -5.027 -5.834 1.00 0.00 C ATOM 1609 CG PRO A 104 90.942 -4.299 -6.724 1.00 0.00 C ATOM 1610 CD PRO A 104 92.298 -4.320 -6.026 1.00 0.00 C ATOM 0 HA PRO A 104 89.963 -4.157 -3.811 1.00 0.00 H new ATOM 0 HB2 PRO A 104 89.925 -6.079 -6.111 1.00 0.00 H new ATOM 0 HB3 PRO A 104 88.985 -4.613 -5.917 1.00 0.00 H new ATOM 0 HG2 PRO A 104 91.002 -4.779 -7.701 1.00 0.00 H new ATOM 0 HG3 PRO A 104 90.609 -3.275 -6.892 1.00 0.00 H new ATOM 0 HD2 PRO A 104 92.906 -5.162 -6.356 1.00 0.00 H new ATOM 0 HD3 PRO A 104 92.869 -3.414 -6.231 1.00 0.00 H new ATOM 1618 N VAL A 105 89.490 -6.407 -2.839 1.00 0.00 N ATOM 1619 CA VAL A 105 89.401 -7.713 -2.134 1.00 0.00 C ATOM 1620 C VAL A 105 89.037 -8.799 -3.147 1.00 0.00 C ATOM 1621 O VAL A 105 89.507 -9.917 -3.074 1.00 0.00 O ATOM 1622 CB VAL A 105 88.336 -7.640 -1.050 1.00 0.00 C ATOM 1623 CG1 VAL A 105 86.971 -7.457 -1.712 1.00 0.00 C ATOM 1624 CG2 VAL A 105 88.358 -8.938 -0.231 1.00 0.00 C ATOM 0 H VAL A 105 88.763 -5.730 -2.610 1.00 0.00 H new ATOM 0 HA VAL A 105 90.359 -7.949 -1.671 1.00 0.00 H new ATOM 0 HB VAL A 105 88.530 -6.799 -0.385 1.00 0.00 H new ATOM 0 HG11 VAL A 105 86.199 -7.403 -0.945 1.00 0.00 H new ATOM 0 HG12 VAL A 105 86.969 -6.535 -2.294 1.00 0.00 H new ATOM 0 HG13 VAL A 105 86.770 -8.302 -2.371 1.00 0.00 H new ATOM 0 HG21 VAL A 105 87.596 -8.890 0.547 1.00 0.00 H new ATOM 0 HG22 VAL A 105 88.155 -9.785 -0.886 1.00 0.00 H new ATOM 0 HG23 VAL A 105 89.339 -9.062 0.228 1.00 0.00 H new ATOM 1634 N TYR A 106 88.199 -8.473 -4.097 1.00 0.00 N ATOM 1635 CA TYR A 106 87.799 -9.475 -5.126 1.00 0.00 C ATOM 1636 C TYR A 106 88.427 -9.107 -6.473 1.00 0.00 C ATOM 1637 O TYR A 106 87.787 -9.181 -7.503 1.00 0.00 O ATOM 1638 CB TYR A 106 86.278 -9.493 -5.271 1.00 0.00 C ATOM 1639 CG TYR A 106 85.640 -10.045 -4.019 1.00 0.00 C ATOM 1640 CD1 TYR A 106 85.906 -11.361 -3.621 1.00 0.00 C ATOM 1641 CD2 TYR A 106 84.774 -9.246 -3.265 1.00 0.00 C ATOM 1642 CE1 TYR A 106 85.302 -11.874 -2.472 1.00 0.00 C ATOM 1643 CE2 TYR A 106 84.175 -9.761 -2.115 1.00 0.00 C ATOM 1644 CZ TYR A 106 84.440 -11.075 -1.719 1.00 0.00 C ATOM 1645 OH TYR A 106 83.848 -11.583 -0.588 1.00 0.00 O ATOM 0 H TYR A 106 87.774 -7.552 -4.203 1.00 0.00 H new ATOM 0 HA TYR A 106 88.146 -10.460 -4.815 1.00 0.00 H new ATOM 0 HB2 TYR A 106 85.912 -8.484 -5.460 1.00 0.00 H new ATOM 0 HB3 TYR A 106 85.995 -10.101 -6.130 1.00 0.00 H new ATOM 0 HD1 TYR A 106 86.577 -11.977 -4.201 1.00 0.00 H new ATOM 0 HD2 TYR A 106 84.569 -8.231 -3.573 1.00 0.00 H new ATOM 0 HE1 TYR A 106 85.502 -12.890 -2.165 1.00 0.00 H new ATOM 0 HE2 TYR A 106 83.507 -9.145 -1.531 1.00 0.00 H new ATOM 0 HH TYR A 106 83.476 -10.849 -0.056 1.00 0.00 H new ATOM 1655 N ALA A 107 89.671 -8.710 -6.474 1.00 0.00 N ATOM 1656 CA ALA A 107 90.328 -8.340 -7.760 1.00 0.00 C ATOM 1657 C ALA A 107 90.222 -9.518 -8.725 1.00 0.00 C ATOM 1658 O ALA A 107 90.611 -10.623 -8.412 1.00 0.00 O ATOM 1659 CB ALA A 107 91.805 -8.034 -7.511 1.00 0.00 C ATOM 0 H ALA A 107 90.258 -8.626 -5.644 1.00 0.00 H new ATOM 0 HA ALA A 107 89.839 -7.462 -8.182 1.00 0.00 H new ATOM 0 HB1 ALA A 107 92.284 -7.764 -8.452 1.00 0.00 H new ATOM 0 HB2 ALA A 107 91.891 -7.205 -6.808 1.00 0.00 H new ATOM 0 HB3 ALA A 107 92.294 -8.915 -7.095 1.00 0.00 H new