USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 553 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 79 THR OG1 : rot -41:sc= -0.627! USER MOD Set 1.2: A 87 GLN : amide:sc= -11.2! C(o=-12!,f=-26!) USER MOD Set 2.1: A 69 SER OG : rot -80:sc= 0.204 USER MOD Set 2.2: A 70 ASN : amide:sc= -0.54 K(o=-0.34,f=-1.5) USER MOD Set 3.1: A 66 ASN :FLIP amide:sc= -4.78! C(o=-13!,f=-12!) USER MOD Set 3.2: A 73 GLN : amide:sc= -7.29 K(o=-12,f=-15!) USER MOD Set 4.1: A 31 THR OG1 : rot 164:sc= -8.11! USER MOD Set 4.2: A 39 GLN : amide:sc= -7.22! C(o=-15!,f=-18!) USER MOD Set 5.1: A 1 GLY N :NH3+ -165:sc= -24.7! (180deg=-15.7!) USER MOD Set 5.2: A 22 ASN :FLIP amide:sc= -5.6! C(o=-58!,f=-53!) USER MOD Set 5.3: A 23 ASN : amide:sc= -22.6! C(o=-53!,f=-58!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 32:sc= 0.96 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.113 K(o=-0.11,f=-0.91) USER MOD Single : A 12 ASN : amide:sc= -2.43! C(o=-2.4!,f=-8.7!) USER MOD Single : A 13 ASN : amide:sc= -1.88 K(o=-1.9,f=-4) USER MOD Single : A 18 ASN : amide:sc= -9.51! C(o=-9.5!,f=-17!) USER MOD Single : A 21 SER OG : rot 38:sc= 0.852 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 4:sc= 0.767! USER MOD Single : A 34 SER OG : rot -44:sc= 0.562 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= -1.82 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -155:sc= -0.832! (180deg=-1.86!) USER MOD Single : A 53 THR OG1 : rot -158:sc= -5.6! USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 23:sc= 1.62! USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HE2:sc= -8.06! C(o=-8.1!,f=-9.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.116 -5.459 3.824 1.00 1.00 N ATOM 2 CA GLY A 1 6.639 -6.493 3.268 1.00 1.00 C ATOM 3 C GLY A 1 6.389 -7.555 4.340 1.00 1.00 C ATOM 4 O GLY A 1 7.354 -7.999 4.966 1.00 1.00 O ATOM 0 H1 GLY A 1 7.055 -4.653 3.169 1.00 1.00 H new ATOM 0 H2 GLY A 1 6.574 -5.247 4.686 1.00 1.00 H new ATOM 0 H3 GLY A 1 8.112 -5.627 4.074 1.00 1.00 H new ATOM 0 HA2 GLY A 1 5.710 -6.250 2.753 1.00 1.00 H new ATOM 0 HA3 GLY A 1 7.331 -6.871 2.516 1.00 1.00 H new ATOM 10 N SER A 2 5.107 -8.130 4.464 1.00 1.00 N ATOM 11 CA SER A 2 4.924 -9.269 5.338 1.00 1.00 C ATOM 12 C SER A 2 3.892 -10.051 4.718 1.00 1.00 C ATOM 13 O SER A 2 4.158 -11.119 4.164 1.00 1.00 O ATOM 14 CB SER A 2 4.606 -8.870 6.746 1.00 1.00 C ATOM 15 OG SER A 2 4.967 -9.913 7.649 1.00 1.00 O ATOM 0 H SER A 2 4.269 -7.808 3.980 1.00 1.00 H new ATOM 0 HA SER A 2 5.841 -9.848 5.447 1.00 1.00 H new ATOM 0 HB2 SER A 2 5.142 -7.956 7.002 1.00 1.00 H new ATOM 0 HB3 SER A 2 3.542 -8.652 6.838 1.00 1.00 H new ATOM 0 HG SER A 2 4.756 -9.639 8.566 1.00 1.00 H new ATOM 21 N GLY A 3 2.734 -9.614 4.816 1.00 1.00 N ATOM 22 CA GLY A 3 1.651 -10.310 4.251 1.00 1.00 C ATOM 23 C GLY A 3 0.532 -9.392 3.994 1.00 1.00 C ATOM 24 O GLY A 3 0.588 -8.231 4.358 1.00 1.00 O ATOM 0 H GLY A 3 2.484 -8.749 5.295 1.00 1.00 H new ATOM 0 HA2 GLY A 3 1.961 -10.785 3.320 1.00 1.00 H new ATOM 0 HA3 GLY A 3 1.330 -11.105 4.924 1.00 1.00 H new ATOM 28 N PRO A 4 -0.518 -9.876 3.376 1.00 1.00 N ATOM 29 CA PRO A 4 -1.701 -9.034 3.082 1.00 1.00 C ATOM 30 C PRO A 4 -2.134 -8.493 4.243 1.00 1.00 C ATOM 31 O PRO A 4 -2.971 -9.077 4.896 1.00 1.00 O ATOM 32 CB PRO A 4 -2.748 -10.001 2.492 1.00 1.00 C ATOM 33 CG PRO A 4 -2.172 -11.396 2.726 1.00 1.00 C ATOM 34 CD PRO A 4 -0.656 -11.219 2.921 1.00 1.00 C ATOM 0 HA PRO A 4 -1.495 -8.218 2.389 1.00 1.00 H new ATOM 0 HB2 PRO A 4 -3.714 -9.885 2.984 1.00 1.00 H new ATOM 0 HB3 PRO A 4 -2.906 -9.812 1.430 1.00 1.00 H new ATOM 0 HG2 PRO A 4 -2.624 -11.860 3.603 1.00 1.00 H new ATOM 0 HG3 PRO A 4 -2.380 -12.048 1.878 1.00 1.00 H new ATOM 0 HD2 PRO A 4 -0.262 -11.929 3.649 1.00 1.00 H new ATOM 0 HD3 PRO A 4 -0.113 -11.382 1.990 1.00 1.00 H new ATOM 42 N THR A 5 -1.648 -7.417 4.583 1.00 1.00 N ATOM 43 CA THR A 5 -1.998 -6.807 5.776 1.00 1.00 C ATOM 44 C THR A 5 -0.924 -5.991 6.267 1.00 1.00 C ATOM 45 O THR A 5 -1.169 -5.236 7.097 1.00 1.00 O ATOM 46 CB THR A 5 -2.308 -7.802 6.959 1.00 1.00 C ATOM 47 OG1 THR A 5 -2.079 -7.137 8.214 1.00 1.00 O ATOM 48 CG2 THR A 5 -1.402 -9.117 6.913 1.00 1.00 C ATOM 0 H THR A 5 -0.966 -6.900 4.029 1.00 1.00 H new ATOM 0 HA THR A 5 -2.896 -6.245 5.518 1.00 1.00 H new ATOM 0 HB THR A 5 -3.349 -8.107 6.854 1.00 1.00 H new ATOM 0 HG1 THR A 5 -2.284 -6.183 8.121 1.00 1.00 H new ATOM 0 HG21 THR A 5 -1.659 -9.765 7.751 1.00 1.00 H new ATOM 0 HG22 THR A 5 -1.577 -9.647 5.977 1.00 1.00 H new ATOM 0 HG23 THR A 5 -0.351 -8.837 6.980 1.00 1.00 H new ATOM 56 N TYR A 6 0.496 -6.310 5.916 1.00 1.00 N ATOM 57 CA TYR A 6 1.514 -5.581 6.636 1.00 1.00 C ATOM 58 C TYR A 6 1.231 -4.401 6.851 1.00 1.00 C ATOM 59 O TYR A 6 1.669 -3.796 7.857 1.00 1.00 O ATOM 60 CB TYR A 6 2.904 -5.611 6.170 1.00 1.00 C ATOM 61 CG TYR A 6 3.811 -5.181 7.598 1.00 1.00 C ATOM 62 CD1 TYR A 6 4.115 -6.164 8.558 1.00 1.00 C ATOM 63 CD2 TYR A 6 4.214 -3.827 7.881 1.00 1.00 C ATOM 64 CE1 TYR A 6 4.803 -5.832 9.722 1.00 1.00 C ATOM 65 CE2 TYR A 6 4.903 -3.530 9.052 1.00 1.00 C ATOM 66 CZ TYR A 6 5.198 -4.525 9.962 1.00 1.00 C ATOM 67 OH TYR A 6 5.873 -4.221 11.118 1.00 1.00 O ATOM 0 H TYR A 6 0.815 -6.987 5.223 1.00 1.00 H new ATOM 0 HA TYR A 6 1.495 -6.190 7.540 1.00 1.00 H new ATOM 0 HB2 TYR A 6 3.183 -6.597 5.797 1.00 1.00 H new ATOM 0 HB3 TYR A 6 3.072 -4.904 5.358 1.00 1.00 H new ATOM 0 HD1 TYR A 6 3.811 -7.187 8.390 1.00 1.00 H new ATOM 0 HD2 TYR A 6 3.980 -3.039 7.181 1.00 1.00 H new ATOM 0 HE1 TYR A 6 5.031 -6.601 10.445 1.00 1.00 H new ATOM 0 HE2 TYR A 6 5.209 -2.514 9.251 1.00 1.00 H new ATOM 0 HH TYR A 6 6.079 -3.263 11.134 1.00 1.00 H new ATOM 77 N CYS A 7 0.450 -3.886 6.002 1.00 1.00 N ATOM 78 CA CYS A 7 0.075 -2.674 6.167 1.00 1.00 C ATOM 79 C CYS A 7 1.121 -1.728 6.399 1.00 1.00 C ATOM 80 O CYS A 7 1.077 -0.965 7.378 1.00 1.00 O ATOM 81 CB CYS A 7 -0.843 -2.653 7.305 1.00 1.00 C ATOM 82 SG CYS A 7 -1.586 -0.962 7.520 1.00 1.00 S ATOM 0 H CYS A 7 0.080 -4.357 5.176 1.00 1.00 H new ATOM 0 HA CYS A 7 -0.384 -2.361 5.229 1.00 1.00 H new ATOM 0 HB2 CYS A 7 -1.635 -3.387 7.153 1.00 1.00 H new ATOM 0 HB3 CYS A 7 -0.312 -2.940 8.212 1.00 1.00 H new ATOM 87 N TRP A 8 2.022 -1.689 5.502 1.00 1.00 N ATOM 88 CA TRP A 8 3.050 -0.669 5.608 1.00 1.00 C ATOM 89 C TRP A 8 2.256 0.583 5.939 1.00 1.00 C ATOM 90 O TRP A 8 1.510 1.001 5.095 1.00 1.00 O ATOM 91 CB TRP A 8 3.735 -0.439 4.342 1.00 1.00 C ATOM 92 CG TRP A 8 4.971 0.559 4.617 1.00 1.00 C ATOM 93 CD1 TRP A 8 5.266 1.767 3.945 1.00 1.00 C ATOM 94 CD2 TRP A 8 6.043 0.445 5.682 1.00 1.00 C ATOM 95 NE1 TRP A 8 6.426 2.297 4.464 1.00 1.00 N ATOM 96 CE2 TRP A 8 6.928 1.536 5.553 1.00 1.00 C ATOM 97 CE3 TRP A 8 6.337 -0.521 6.740 1.00 1.00 C ATOM 98 CZ2 TRP A 8 8.037 1.681 6.414 1.00 1.00 C ATOM 99 CZ3 TRP A 8 7.441 -0.341 7.577 1.00 1.00 C ATOM 100 CH2 TRP A 8 8.278 0.747 7.416 1.00 1.00 C ATOM 0 H TRP A 8 2.093 -2.316 4.701 1.00 1.00 H new ATOM 0 HA TRP A 8 3.813 -0.949 6.334 1.00 1.00 H new ATOM 0 HB2 TRP A 8 4.092 -1.381 3.925 1.00 1.00 H new ATOM 0 HB3 TRP A 8 3.051 -0.006 3.612 1.00 1.00 H new ATOM 0 HD1 TRP A 8 4.677 2.204 3.152 1.00 1.00 H new ATOM 0 HE1 TRP A 8 6.874 3.141 4.107 1.00 1.00 H new ATOM 0 HE3 TRP A 8 5.696 -1.380 6.875 1.00 1.00 H new ATOM 0 HZ2 TRP A 8 8.703 2.523 6.294 1.00 1.00 H new ATOM 0 HZ3 TRP A 8 7.642 -1.059 8.358 1.00 1.00 H new ATOM 0 HH2 TRP A 8 9.126 0.873 8.073 1.00 1.00 H new ATOM 111 N ASN A 9 2.259 1.102 7.176 1.00 1.00 N ATOM 112 CA ASN A 9 1.359 2.185 7.503 1.00 1.00 C ATOM 113 C ASN A 9 1.070 3.099 6.421 1.00 1.00 C ATOM 114 O ASN A 9 -0.064 3.562 6.272 1.00 1.00 O ATOM 115 CB ASN A 9 1.872 2.943 8.711 1.00 1.00 C ATOM 116 CG ASN A 9 1.973 2.001 9.907 1.00 1.00 C ATOM 117 OD1 ASN A 9 1.117 1.138 10.090 1.00 1.00 O ATOM 118 ND2 ASN A 9 2.977 2.114 10.735 1.00 1.00 N ATOM 0 H ASN A 9 2.862 0.791 7.938 1.00 1.00 H new ATOM 0 HA ASN A 9 0.406 1.705 7.725 1.00 1.00 H new ATOM 0 HB2 ASN A 9 2.849 3.375 8.493 1.00 1.00 H new ATOM 0 HB3 ASN A 9 1.202 3.771 8.944 1.00 1.00 H new ATOM 0 HD21 ASN A 9 3.052 1.486 11.535 1.00 1.00 H new ATOM 0 HD22 ASN A 9 3.686 2.831 10.582 1.00 1.00 H new ATOM 125 N GLU A 10 2.006 3.388 5.710 1.00 1.00 N ATOM 126 CA GLU A 10 1.863 4.300 4.630 1.00 1.00 C ATOM 127 C GLU A 10 1.084 5.554 5.038 1.00 1.00 C ATOM 128 O GLU A 10 0.128 5.974 4.368 1.00 1.00 O ATOM 129 CB GLU A 10 1.197 3.710 3.356 1.00 1.00 C ATOM 130 CG GLU A 10 2.070 2.699 2.732 1.00 1.00 C ATOM 131 CD GLU A 10 1.264 1.802 1.767 1.00 1.00 C ATOM 132 OE1 GLU A 10 0.814 2.309 0.753 1.00 1.00 O ATOM 133 OE2 GLU A 10 1.117 0.625 2.064 1.00 1.00 O ATOM 0 H GLU A 10 2.947 3.012 5.824 1.00 1.00 H new ATOM 0 HA GLU A 10 2.893 4.550 4.376 1.00 1.00 H new ATOM 0 HB2 GLU A 10 0.239 3.260 3.616 1.00 1.00 H new ATOM 0 HB3 GLU A 10 0.991 4.509 2.644 1.00 1.00 H new ATOM 0 HG2 GLU A 10 2.876 3.193 2.190 1.00 1.00 H new ATOM 0 HG3 GLU A 10 2.534 2.086 3.504 1.00 1.00 H new ATOM 140 N ALA A 11 1.587 6.189 6.052 1.00 1.00 N ATOM 141 CA ALA A 11 1.115 7.372 6.455 1.00 1.00 C ATOM 142 C ALA A 11 2.103 7.876 7.430 1.00 1.00 C ATOM 143 O ALA A 11 2.232 7.333 8.529 1.00 1.00 O ATOM 144 CB ALA A 11 -0.235 7.293 7.022 1.00 1.00 C ATOM 0 H ALA A 11 2.367 5.839 6.608 1.00 1.00 H new ATOM 0 HA ALA A 11 1.000 8.050 5.610 1.00 1.00 H new ATOM 0 HB1 ALA A 11 -0.559 8.287 7.330 1.00 1.00 H new ATOM 0 HB2 ALA A 11 -0.923 6.903 6.271 1.00 1.00 H new ATOM 0 HB3 ALA A 11 -0.228 6.630 7.887 1.00 1.00 H new ATOM 150 N ASN A 12 2.724 8.883 7.078 1.00 1.00 N ATOM 151 CA ASN A 12 3.742 9.586 7.935 1.00 1.00 C ATOM 152 C ASN A 12 4.808 10.479 7.001 1.00 1.00 C ATOM 153 O ASN A 12 5.988 10.579 7.310 1.00 1.00 O ATOM 154 CB ASN A 12 4.484 8.521 8.847 1.00 1.00 C ATOM 155 CG ASN A 12 5.904 8.942 9.201 1.00 1.00 C ATOM 156 OD1 ASN A 12 6.836 8.694 8.434 1.00 1.00 O ATOM 157 ND2 ASN A 12 6.131 9.555 10.327 1.00 1.00 N ATOM 0 H ASN A 12 2.592 9.321 6.166 1.00 1.00 H new ATOM 0 HA ASN A 12 3.238 10.300 8.586 1.00 1.00 H new ATOM 0 HB2 ASN A 12 3.914 8.373 9.764 1.00 1.00 H new ATOM 0 HB3 ASN A 12 4.511 7.562 8.330 1.00 1.00 H new ATOM 0 HD21 ASN A 12 7.081 9.831 10.575 1.00 1.00 H new ATOM 0 HD22 ASN A 12 5.359 9.760 10.961 1.00 1.00 H new ATOM 164 N ASN A 13 4.280 11.179 5.907 1.00 1.00 N ATOM 165 CA ASN A 13 5.125 12.065 5.081 1.00 1.00 C ATOM 166 C ASN A 13 4.312 12.720 3.903 1.00 1.00 C ATOM 167 O ASN A 13 3.248 12.251 3.547 1.00 1.00 O ATOM 168 CB ASN A 13 6.304 11.294 4.497 1.00 1.00 C ATOM 169 CG ASN A 13 7.649 12.039 4.719 1.00 1.00 C ATOM 170 OD1 ASN A 13 8.276 12.492 3.757 1.00 1.00 O ATOM 171 ND2 ASN A 13 8.111 12.187 5.931 1.00 1.00 N ATOM 0 H ASN A 13 3.305 11.128 5.612 1.00 1.00 H new ATOM 0 HA ASN A 13 5.487 12.856 5.738 1.00 1.00 H new ATOM 0 HB2 ASN A 13 6.356 10.307 4.956 1.00 1.00 H new ATOM 0 HB3 ASN A 13 6.145 11.141 3.429 1.00 1.00 H new ATOM 0 HD21 ASN A 13 8.992 12.678 6.085 1.00 1.00 H new ATOM 0 HD22 ASN A 13 7.591 11.812 6.724 1.00 1.00 H new ATOM 178 N PRO A 14 4.864 13.807 3.291 1.00 1.00 N ATOM 179 CA PRO A 14 4.247 14.519 2.129 1.00 1.00 C ATOM 180 C PRO A 14 4.805 14.071 0.698 1.00 1.00 C ATOM 181 O PRO A 14 4.252 14.479 -0.324 1.00 1.00 O ATOM 182 CB PRO A 14 4.578 15.985 2.398 1.00 1.00 C ATOM 183 CG PRO A 14 5.597 15.934 3.514 1.00 1.00 C ATOM 184 CD PRO A 14 6.032 14.458 3.643 1.00 1.00 C ATOM 0 HA PRO A 14 3.182 14.297 2.065 1.00 1.00 H new ATOM 0 HB2 PRO A 14 4.983 16.472 1.511 1.00 1.00 H new ATOM 0 HB3 PRO A 14 3.691 16.546 2.693 1.00 1.00 H new ATOM 0 HG2 PRO A 14 6.452 16.572 3.289 1.00 1.00 H new ATOM 0 HG3 PRO A 14 5.167 16.295 4.448 1.00 1.00 H new ATOM 0 HD2 PRO A 14 6.858 14.212 2.976 1.00 1.00 H new ATOM 0 HD3 PRO A 14 6.354 14.210 4.654 1.00 1.00 H new ATOM 192 N GLY A 15 5.810 13.228 0.648 1.00 1.00 N ATOM 193 CA GLY A 15 6.329 12.719 -0.690 1.00 1.00 C ATOM 194 C GLY A 15 5.646 11.413 -0.933 1.00 1.00 C ATOM 195 O GLY A 15 6.113 10.516 -1.619 1.00 1.00 O ATOM 0 H GLY A 15 6.300 12.864 1.465 1.00 1.00 H new ATOM 0 HA2 GLY A 15 6.108 13.428 -1.488 1.00 1.00 H new ATOM 0 HA3 GLY A 15 7.411 12.593 -0.665 1.00 1.00 H new ATOM 199 N GLY A 16 4.545 11.356 -0.356 1.00 1.00 N ATOM 200 CA GLY A 16 3.697 10.210 -0.384 1.00 1.00 C ATOM 201 C GLY A 16 3.442 9.864 1.025 1.00 1.00 C ATOM 202 O GLY A 16 3.248 10.759 1.811 1.00 1.00 O ATOM 0 H GLY A 16 4.162 12.131 0.185 1.00 1.00 H new ATOM 0 HA2 GLY A 16 2.766 10.425 -0.908 1.00 1.00 H new ATOM 0 HA3 GLY A 16 4.175 9.383 -0.909 1.00 1.00 H new ATOM 206 N PRO A 17 3.422 8.585 1.449 1.00 1.00 N ATOM 207 CA PRO A 17 3.160 8.273 2.891 1.00 1.00 C ATOM 208 C PRO A 17 4.364 8.442 3.620 1.00 1.00 C ATOM 209 O PRO A 17 5.199 9.197 3.197 1.00 1.00 O ATOM 210 CB PRO A 17 2.795 6.764 2.785 1.00 1.00 C ATOM 211 CG PRO A 17 2.609 6.514 1.372 1.00 1.00 C ATOM 212 CD PRO A 17 3.579 7.393 0.711 1.00 1.00 C ATOM 0 HA PRO A 17 2.406 8.886 3.384 1.00 1.00 H new ATOM 0 HB2 PRO A 17 3.588 6.138 3.194 1.00 1.00 H new ATOM 0 HB3 PRO A 17 1.889 6.538 3.347 1.00 1.00 H new ATOM 0 HG2 PRO A 17 2.791 5.468 1.127 1.00 1.00 H new ATOM 0 HG3 PRO A 17 1.590 6.742 1.060 1.00 1.00 H new ATOM 0 HD2 PRO A 17 4.595 7.003 0.772 1.00 1.00 H new ATOM 0 HD3 PRO A 17 3.354 7.532 -0.346 1.00 1.00 H new ATOM 220 N ASN A 18 4.549 7.615 4.812 1.00 1.00 N ATOM 221 CA ASN A 18 5.823 7.639 5.558 1.00 1.00 C ATOM 222 C ASN A 18 6.920 7.723 4.553 1.00 1.00 C ATOM 223 O ASN A 18 8.095 7.832 4.902 1.00 1.00 O ATOM 224 CB ASN A 18 6.022 6.304 6.439 1.00 1.00 C ATOM 225 CG ASN A 18 4.756 5.470 6.438 1.00 1.00 C ATOM 226 OD1 ASN A 18 3.755 5.863 7.010 1.00 1.00 O ATOM 227 ND2 ASN A 18 4.753 4.319 5.824 1.00 1.00 N ATOM 0 H ASN A 18 3.840 6.990 5.195 1.00 1.00 H new ATOM 0 HA ASN A 18 5.826 8.489 6.241 1.00 1.00 H new ATOM 0 HB2 ASN A 18 6.850 5.718 6.040 1.00 1.00 H new ATOM 0 HB3 ASN A 18 6.286 6.573 7.462 1.00 1.00 H new ATOM 0 HD21 ASN A 18 3.910 3.744 5.822 1.00 1.00 H new ATOM 0 HD22 ASN A 18 5.593 3.994 5.346 1.00 1.00 H new ATOM 234 N ARG A 19 6.477 7.595 3.253 1.00 1.00 N ATOM 235 CA ARG A 19 7.250 7.597 2.159 1.00 1.00 C ATOM 236 C ARG A 19 7.634 6.368 2.057 1.00 1.00 C ATOM 237 O ARG A 19 8.650 6.021 2.585 1.00 1.00 O ATOM 238 CB ARG A 19 8.398 8.691 2.233 1.00 1.00 C ATOM 239 CG ARG A 19 7.939 9.931 1.408 1.00 1.00 C ATOM 240 CD ARG A 19 8.502 9.804 -0.038 1.00 1.00 C ATOM 241 NE ARG A 19 9.849 10.386 -0.116 1.00 1.00 N ATOM 242 CZ ARG A 19 10.348 10.812 -1.281 1.00 1.00 C ATOM 243 NH1 ARG A 19 9.622 10.744 -2.362 1.00 1.00 N ATOM 244 NH2 ARG A 19 11.553 11.302 -1.336 1.00 1.00 N ATOM 0 H ARG A 19 5.488 7.486 3.030 1.00 1.00 H new ATOM 0 HA ARG A 19 6.735 7.903 1.248 1.00 1.00 H new ATOM 0 HB2 ARG A 19 8.589 8.972 3.269 1.00 1.00 H new ATOM 0 HB3 ARG A 19 9.330 8.292 1.834 1.00 1.00 H new ATOM 0 HG2 ARG A 19 6.851 9.989 1.386 1.00 1.00 H new ATOM 0 HG3 ARG A 19 8.298 10.849 1.874 1.00 1.00 H new ATOM 0 HD2 ARG A 19 8.535 8.755 -0.332 1.00 1.00 H new ATOM 0 HD3 ARG A 19 7.839 10.311 -0.739 1.00 1.00 H new ATOM 0 HE ARG A 19 10.412 10.466 0.731 1.00 1.00 H new ATOM 0 HH11 ARG A 19 8.675 10.366 -2.318 1.00 1.00 H new ATOM 0 HH12 ARG A 19 10.001 11.068 -3.252 1.00 1.00 H new ATOM 0 HH21 ARG A 19 12.118 11.361 -0.489 1.00 1.00 H new ATOM 0 HH22 ARG A 19 11.932 11.626 -2.226 1.00 1.00 H new ATOM 258 N CYS A 20 6.626 5.461 1.253 1.00 1.00 N ATOM 259 CA CYS A 20 6.838 3.991 1.024 1.00 1.00 C ATOM 260 C CYS A 20 8.264 3.901 1.551 1.00 1.00 C ATOM 261 O CYS A 20 9.150 4.621 1.038 1.00 1.00 O ATOM 262 CB CYS A 20 6.594 3.669 -0.544 1.00 1.00 C ATOM 263 SG CYS A 20 6.668 1.775 -1.091 1.00 1.00 S ATOM 0 H CYS A 20 5.766 5.819 0.838 1.00 1.00 H new ATOM 0 HA CYS A 20 6.184 3.261 1.501 1.00 1.00 H new ATOM 0 HB2 CYS A 20 5.617 4.064 -0.823 1.00 1.00 H new ATOM 0 HB3 CYS A 20 7.337 4.218 -1.122 1.00 1.00 H new ATOM 268 N SER A 21 8.491 3.175 2.553 1.00 1.00 N ATOM 269 CA SER A 21 9.870 3.213 3.213 1.00 1.00 C ATOM 270 C SER A 21 10.500 1.846 3.652 1.00 1.00 C ATOM 271 O SER A 21 11.515 1.837 4.340 1.00 1.00 O ATOM 272 CB SER A 21 9.679 4.123 4.442 1.00 1.00 C ATOM 273 OG SER A 21 10.510 3.685 5.508 1.00 1.00 O ATOM 0 H SER A 21 7.817 2.541 2.982 1.00 1.00 H new ATOM 0 HA SER A 21 10.587 3.565 2.471 1.00 1.00 H new ATOM 0 HB2 SER A 21 9.921 5.154 4.182 1.00 1.00 H new ATOM 0 HB3 SER A 21 8.635 4.110 4.755 1.00 1.00 H new ATOM 0 HG SER A 21 11.373 3.389 5.150 1.00 1.00 H new ATOM 279 N ASN A 22 9.935 0.743 3.251 1.00 1.00 N ATOM 280 CA ASN A 22 10.502 -0.538 3.611 1.00 1.00 C ATOM 281 C ASN A 22 10.058 -1.565 2.675 1.00 1.00 C ATOM 282 O ASN A 22 9.052 -1.424 2.041 1.00 1.00 O ATOM 283 CB ASN A 22 10.055 -0.897 5.048 1.00 1.00 C ATOM 284 CG ASN A 22 11.164 -1.618 5.827 1.00 1.00 C ATOM 285 OD1 ASN A 22 10.852 -2.357 6.854 1.00 1.00 O flip ATOM 286 ND2 ASN A 22 12.342 -1.492 5.500 1.00 1.00 N flip ATOM 0 H ASN A 22 9.091 0.697 2.680 1.00 1.00 H new ATOM 0 HA ASN A 22 11.590 -0.482 3.569 1.00 1.00 H new ATOM 0 HB2 ASN A 22 9.771 0.012 5.578 1.00 1.00 H new ATOM 0 HB3 ASN A 22 9.170 -1.531 5.005 1.00 1.00 H new ATOM 0 HD21 ASN A 22 12.589 -0.914 4.697 1.00 1.00 H new ATOM 0 HD22 ASN A 22 13.072 -1.965 6.032 1.00 1.00 H new ATOM 293 N ASN A 23 10.783 -2.672 2.637 1.00 1.00 N ATOM 294 CA ASN A 23 10.371 -3.727 1.824 1.00 1.00 C ATOM 295 C ASN A 23 9.994 -3.233 0.400 1.00 1.00 C ATOM 296 O ASN A 23 8.844 -3.341 -0.014 1.00 1.00 O ATOM 297 CB ASN A 23 9.137 -4.392 2.582 1.00 1.00 C ATOM 298 CG ASN A 23 8.902 -3.759 3.949 1.00 1.00 C ATOM 299 OD1 ASN A 23 7.830 -3.283 4.237 1.00 1.00 O ATOM 300 ND2 ASN A 23 9.840 -3.744 4.780 1.00 1.00 N ATOM 0 H ASN A 23 11.642 -2.831 3.163 1.00 1.00 H new ATOM 0 HA ASN A 23 11.168 -4.453 1.667 1.00 1.00 H new ATOM 0 HB2 ASN A 23 8.238 -4.287 1.974 1.00 1.00 H new ATOM 0 HB3 ASN A 23 9.318 -5.460 2.703 1.00 1.00 H new ATOM 0 HD21 ASN A 23 9.699 -3.329 5.701 1.00 1.00 H new ATOM 0 HD22 ASN A 23 10.745 -4.146 4.535 1.00 1.00 H new ATOM 307 N LYS A 24 10.974 -2.546 -0.273 1.00 1.00 N ATOM 308 CA LYS A 24 10.742 -1.871 -1.574 1.00 1.00 C ATOM 309 C LYS A 24 9.936 -0.625 -1.304 1.00 1.00 C ATOM 310 O LYS A 24 9.271 -0.107 -2.189 1.00 1.00 O ATOM 311 CB LYS A 24 10.051 -2.688 -2.608 1.00 1.00 C ATOM 312 CG LYS A 24 10.793 -3.976 -2.921 1.00 1.00 C ATOM 313 CD LYS A 24 9.811 -4.963 -3.754 1.00 1.00 C ATOM 314 CE LYS A 24 10.397 -5.322 -5.160 1.00 1.00 C ATOM 315 NZ LYS A 24 9.993 -4.281 -6.137 1.00 1.00 N ATOM 0 H LYS A 24 11.929 -2.452 0.074 1.00 1.00 H new ATOM 0 HA LYS A 24 11.726 -1.663 -1.995 1.00 1.00 H new ATOM 0 HB2 LYS A 24 9.044 -2.926 -2.265 1.00 1.00 H new ATOM 0 HB3 LYS A 24 9.947 -2.101 -3.521 1.00 1.00 H new ATOM 0 HG2 LYS A 24 11.691 -3.762 -3.500 1.00 1.00 H new ATOM 0 HG3 LYS A 24 11.116 -4.458 -1.998 1.00 1.00 H new ATOM 0 HD2 LYS A 24 9.648 -5.878 -3.184 1.00 1.00 H new ATOM 0 HD3 LYS A 24 8.838 -4.487 -3.877 1.00 1.00 H new ATOM 0 HE2 LYS A 24 11.484 -5.387 -5.108 1.00 1.00 H new ATOM 0 HE3 LYS A 24 10.034 -6.299 -5.480 1.00 1.00 H new ATOM 0 HZ1 LYS A 24 10.380 -4.515 -7.074 1.00 1.00 H new ATOM 0 HZ2 LYS A 24 8.955 -4.240 -6.192 1.00 1.00 H new ATOM 0 HZ3 LYS A 24 10.360 -3.357 -5.832 1.00 1.00 H new ATOM 329 N GLN A 25 10.041 -0.164 -0.003 1.00 1.00 N ATOM 330 CA GLN A 25 9.403 0.996 0.494 1.00 1.00 C ATOM 331 C GLN A 25 8.021 0.735 0.938 1.00 1.00 C ATOM 332 O GLN A 25 7.447 1.549 1.520 1.00 1.00 O ATOM 333 CB GLN A 25 9.524 2.169 -0.534 1.00 1.00 C ATOM 334 CG GLN A 25 10.906 2.864 -0.379 1.00 1.00 C ATOM 335 CD GLN A 25 11.926 2.298 -1.396 1.00 1.00 C ATOM 336 OE1 GLN A 25 12.748 1.446 -1.046 1.00 1.00 O ATOM 337 NE2 GLN A 25 11.918 2.726 -2.621 1.00 1.00 N ATOM 0 H GLN A 25 10.601 -0.643 0.702 1.00 1.00 H new ATOM 0 HA GLN A 25 9.925 1.312 1.397 1.00 1.00 H new ATOM 0 HB2 GLN A 25 9.410 1.789 -1.549 1.00 1.00 H new ATOM 0 HB3 GLN A 25 8.723 2.891 -0.372 1.00 1.00 H new ATOM 0 HG2 GLN A 25 10.796 3.938 -0.528 1.00 1.00 H new ATOM 0 HG3 GLN A 25 11.279 2.719 0.635 1.00 1.00 H new ATOM 0 HE21 GLN A 25 11.239 3.430 -2.911 1.00 1.00 H new ATOM 0 HE22 GLN A 25 12.591 2.358 -3.294 1.00 1.00 H new ATOM 346 N CYS A 26 7.460 -0.392 0.676 1.00 1.00 N ATOM 347 CA CYS A 26 6.050 -0.607 1.143 1.00 1.00 C ATOM 348 C CYS A 26 5.970 -1.621 2.392 1.00 1.00 C ATOM 349 O CYS A 26 6.783 -1.513 3.275 1.00 1.00 O ATOM 350 CB CYS A 26 5.186 -0.904 -0.140 1.00 1.00 C ATOM 351 SG CYS A 26 4.801 0.834 -0.928 1.00 1.00 S ATOM 0 H CYS A 26 7.889 -1.168 0.172 1.00 1.00 H new ATOM 0 HA CYS A 26 5.604 0.276 1.601 1.00 1.00 H new ATOM 0 HB2 CYS A 26 5.729 -1.540 -0.839 1.00 1.00 H new ATOM 0 HB3 CYS A 26 4.267 -1.429 0.120 1.00 1.00 H new ATOM 356 N ASP A 27 5.036 -2.552 2.369 1.00 1.00 N ATOM 357 CA ASP A 27 4.820 -3.541 3.322 1.00 1.00 C ATOM 358 C ASP A 27 3.564 -4.147 3.016 1.00 1.00 C ATOM 359 O ASP A 27 2.626 -3.491 2.570 1.00 1.00 O ATOM 360 CB ASP A 27 4.974 -3.109 4.790 1.00 1.00 C ATOM 361 CG ASP A 27 5.624 -4.224 5.622 1.00 1.00 C ATOM 362 OD1 ASP A 27 5.335 -5.380 5.363 1.00 1.00 O ATOM 363 OD2 ASP A 27 6.411 -3.900 6.497 1.00 1.00 O ATOM 0 H ASP A 27 4.368 -2.611 1.601 1.00 1.00 H new ATOM 0 HA ASP A 27 5.625 -4.273 3.251 1.00 1.00 H new ATOM 0 HB2 ASP A 27 5.582 -2.206 4.846 1.00 1.00 H new ATOM 0 HB3 ASP A 27 3.997 -2.862 5.205 1.00 1.00 H new ATOM 368 N GLY A 28 3.543 -5.451 3.143 1.00 1.00 N ATOM 369 CA GLY A 28 2.447 -6.229 2.786 1.00 1.00 C ATOM 370 C GLY A 28 2.891 -7.570 2.023 1.00 1.00 C ATOM 371 O GLY A 28 2.129 -8.128 1.341 1.00 1.00 O ATOM 0 H GLY A 28 4.327 -5.990 3.512 1.00 1.00 H new ATOM 0 HA2 GLY A 28 1.880 -6.490 3.680 1.00 1.00 H new ATOM 0 HA3 GLY A 28 1.783 -5.649 2.145 1.00 1.00 H new ATOM 375 N ALA A 29 4.137 -8.037 2.284 1.00 1.00 N ATOM 376 CA ALA A 29 4.693 -9.294 1.745 1.00 1.00 C ATOM 377 C ALA A 29 6.124 -9.145 1.318 1.00 1.00 C ATOM 378 O ALA A 29 6.850 -10.133 1.245 1.00 1.00 O ATOM 379 CB ALA A 29 3.800 -9.908 0.583 1.00 1.00 C ATOM 0 H ALA A 29 4.792 -7.538 2.886 1.00 1.00 H new ATOM 0 HA ALA A 29 4.674 -10.008 2.568 1.00 1.00 H new ATOM 0 HB1 ALA A 29 4.255 -10.831 0.223 1.00 1.00 H new ATOM 0 HB2 ALA A 29 2.802 -10.121 0.965 1.00 1.00 H new ATOM 0 HB3 ALA A 29 3.730 -9.194 -0.238 1.00 1.00 H new ATOM 385 N ARG A 30 6.527 -7.926 0.923 1.00 1.00 N ATOM 386 CA ARG A 30 7.940 -7.754 0.357 1.00 1.00 C ATOM 387 C ARG A 30 9.094 -8.558 1.236 1.00 1.00 C ATOM 388 O ARG A 30 8.849 -9.122 2.305 1.00 1.00 O ATOM 389 CB ARG A 30 8.350 -6.187 0.083 1.00 1.00 C ATOM 390 CG ARG A 30 7.628 -5.609 -1.082 1.00 1.00 C ATOM 391 CD ARG A 30 6.489 -4.526 -0.757 1.00 1.00 C ATOM 392 NE ARG A 30 6.838 -3.286 -1.394 1.00 1.00 N ATOM 393 CZ ARG A 30 6.621 -3.088 -2.730 1.00 1.00 C ATOM 394 NH1 ARG A 30 6.320 -4.117 -3.518 1.00 1.00 N ATOM 395 NH2 ARG A 30 6.766 -1.903 -3.234 1.00 1.00 N ATOM 0 H ARG A 30 5.963 -7.077 0.966 1.00 1.00 H new ATOM 0 HA ARG A 30 7.909 -8.231 -0.623 1.00 1.00 H new ATOM 0 HB2 ARG A 30 8.132 -5.596 0.972 1.00 1.00 H new ATOM 0 HB3 ARG A 30 9.424 -6.120 -0.089 1.00 1.00 H new ATOM 0 HG2 ARG A 30 8.362 -5.144 -1.741 1.00 1.00 H new ATOM 0 HG3 ARG A 30 7.171 -6.427 -1.640 1.00 1.00 H new ATOM 0 HD2 ARG A 30 5.521 -4.876 -1.116 1.00 1.00 H new ATOM 0 HD3 ARG A 30 6.398 -4.385 0.320 1.00 1.00 H new ATOM 0 HE ARG A 30 7.256 -2.539 -0.839 1.00 1.00 H new ATOM 0 HH11 ARG A 30 6.251 -5.056 -3.126 1.00 1.00 H new ATOM 0 HH12 ARG A 30 6.159 -3.967 -4.514 1.00 1.00 H new ATOM 0 HH21 ARG A 30 7.041 -1.124 -2.635 1.00 1.00 H new ATOM 0 HH22 ARG A 30 6.606 -1.749 -4.229 1.00 1.00 H new ATOM 409 N THR A 31 10.263 -8.608 0.590 1.00 1.00 N ATOM 410 CA THR A 31 11.465 -9.294 0.968 1.00 1.00 C ATOM 411 C THR A 31 12.646 -8.497 0.749 1.00 1.00 C ATOM 412 O THR A 31 12.715 -7.962 -0.167 1.00 1.00 O ATOM 413 CB THR A 31 11.548 -10.455 -0.113 1.00 1.00 C ATOM 414 OG1 THR A 31 11.823 -9.987 -1.385 1.00 1.00 O ATOM 415 CG2 THR A 31 10.224 -11.177 -0.133 1.00 1.00 C ATOM 0 H THR A 31 10.384 -8.115 -0.295 1.00 1.00 H new ATOM 0 HA THR A 31 11.433 -9.582 2.019 1.00 1.00 H new ATOM 0 HB THR A 31 12.367 -11.116 0.170 1.00 1.00 H new ATOM 0 HG1 THR A 31 12.115 -10.731 -1.951 1.00 1.00 H new ATOM 0 HG21 THR A 31 10.258 -11.980 -0.870 1.00 1.00 H new ATOM 0 HG22 THR A 31 10.024 -11.597 0.853 1.00 1.00 H new ATOM 0 HG23 THR A 31 9.432 -10.477 -0.397 1.00 1.00 H new ATOM 423 N CYS A 32 13.567 -8.361 1.620 1.00 1.00 N ATOM 424 CA CYS A 32 14.786 -7.389 1.232 1.00 1.00 C ATOM 425 C CYS A 32 15.770 -8.069 0.372 1.00 1.00 C ATOM 426 O CYS A 32 15.564 -9.161 -0.132 1.00 1.00 O ATOM 427 CB CYS A 32 15.481 -6.587 2.521 1.00 1.00 C ATOM 428 SG CYS A 32 16.761 -5.408 2.016 1.00 1.00 S ATOM 0 H CYS A 32 13.607 -8.807 2.537 1.00 1.00 H new ATOM 0 HA CYS A 32 14.341 -6.587 0.644 1.00 1.00 H new ATOM 0 HB2 CYS A 32 14.705 -6.057 3.073 1.00 1.00 H new ATOM 0 HB3 CYS A 32 15.916 -7.317 3.204 1.00 1.00 H new ATOM 433 N SER A 33 16.805 -7.420 0.245 1.00 1.00 N ATOM 434 CA SER A 33 17.955 -7.948 -0.584 1.00 1.00 C ATOM 435 C SER A 33 18.729 -8.870 0.226 1.00 1.00 C ATOM 436 O SER A 33 19.695 -9.497 -0.199 1.00 1.00 O ATOM 437 CB SER A 33 18.715 -6.906 -1.201 1.00 1.00 C ATOM 438 OG SER A 33 19.929 -7.435 -1.713 1.00 1.00 O ATOM 0 H SER A 33 16.968 -6.508 0.671 1.00 1.00 H new ATOM 0 HA SER A 33 17.570 -8.507 -1.437 1.00 1.00 H new ATOM 0 HB2 SER A 33 18.138 -6.450 -2.006 1.00 1.00 H new ATOM 0 HB3 SER A 33 18.927 -6.120 -0.476 1.00 1.00 H new ATOM 0 HG SER A 33 19.942 -8.407 -1.586 1.00 1.00 H new ATOM 444 N SER A 34 18.220 -9.020 1.299 1.00 1.00 N ATOM 445 CA SER A 34 18.569 -9.882 2.289 1.00 1.00 C ATOM 446 C SER A 34 17.191 -10.685 2.653 1.00 1.00 C ATOM 447 O SER A 34 17.137 -11.380 3.669 1.00 1.00 O ATOM 448 CB SER A 34 19.051 -9.107 3.450 1.00 1.00 C ATOM 449 OG SER A 34 19.394 -9.992 4.510 1.00 1.00 O ATOM 0 H SER A 34 17.413 -8.458 1.570 1.00 1.00 H new ATOM 0 HA SER A 34 19.364 -10.570 2.001 1.00 1.00 H new ATOM 0 HB2 SER A 34 19.918 -8.511 3.166 1.00 1.00 H new ATOM 0 HB3 SER A 34 18.280 -8.411 3.780 1.00 1.00 H new ATOM 0 HG SER A 34 18.700 -10.677 4.601 1.00 1.00 H new ATOM 455 N SER A 35 16.039 -10.555 1.698 1.00 1.00 N ATOM 456 CA SER A 35 14.846 -11.185 1.854 1.00 1.00 C ATOM 457 C SER A 35 14.151 -10.665 2.968 1.00 1.00 C ATOM 458 O SER A 35 12.984 -10.968 3.203 1.00 1.00 O ATOM 459 CB SER A 35 15.023 -12.611 2.012 1.00 1.00 C ATOM 460 OG SER A 35 15.836 -13.110 0.955 1.00 1.00 O ATOM 0 H SER A 35 16.082 -9.976 0.859 1.00 1.00 H new ATOM 0 HA SER A 35 14.260 -11.007 0.952 1.00 1.00 H new ATOM 0 HB2 SER A 35 15.487 -12.826 2.974 1.00 1.00 H new ATOM 0 HB3 SER A 35 14.054 -13.111 2.007 1.00 1.00 H new ATOM 0 HG SER A 35 15.957 -14.076 1.064 1.00 1.00 H new ATOM 466 N GLY A 36 14.867 -9.871 3.717 1.00 1.00 N ATOM 467 CA GLY A 36 14.334 -9.298 4.857 1.00 1.00 C ATOM 468 C GLY A 36 13.066 -8.713 4.513 1.00 1.00 C ATOM 469 O GLY A 36 12.022 -9.264 4.833 1.00 1.00 O ATOM 0 H GLY A 36 15.838 -9.621 3.527 1.00 1.00 H new ATOM 0 HA2 GLY A 36 14.207 -10.049 5.637 1.00 1.00 H new ATOM 0 HA3 GLY A 36 15.009 -8.539 5.252 1.00 1.00 H new ATOM 473 N PHE A 37 13.112 -7.611 3.857 1.00 1.00 N ATOM 474 CA PHE A 37 12.010 -6.977 3.489 1.00 1.00 C ATOM 475 C PHE A 37 12.404 -5.717 2.786 1.00 1.00 C ATOM 476 O PHE A 37 12.401 -4.674 3.410 1.00 1.00 O ATOM 477 CB PHE A 37 11.123 -6.639 4.781 1.00 1.00 C ATOM 478 CG PHE A 37 12.012 -6.166 5.999 1.00 1.00 C ATOM 479 CD1 PHE A 37 12.368 -4.767 6.179 1.00 1.00 C ATOM 480 CD2 PHE A 37 12.457 -7.104 6.944 1.00 1.00 C ATOM 481 CE1 PHE A 37 13.144 -4.387 7.273 1.00 1.00 C ATOM 482 CE2 PHE A 37 13.233 -6.694 8.032 1.00 1.00 C ATOM 483 CZ PHE A 37 13.575 -5.339 8.194 1.00 1.00 C ATOM 0 H PHE A 37 13.978 -7.151 3.576 1.00 1.00 H new ATOM 0 HA PHE A 37 11.419 -7.603 2.820 1.00 1.00 H new ATOM 0 HB2 PHE A 37 10.403 -5.859 4.533 1.00 1.00 H new ATOM 0 HB3 PHE A 37 10.551 -7.521 5.070 1.00 1.00 H new ATOM 0 HD1 PHE A 37 12.033 -4.026 5.468 1.00 1.00 H new ATOM 0 HD2 PHE A 37 12.199 -8.146 6.830 1.00 1.00 H new ATOM 0 HE1 PHE A 37 13.412 -3.349 7.407 1.00 1.00 H new ATOM 0 HE2 PHE A 37 13.572 -7.423 8.753 1.00 1.00 H new ATOM 0 HZ PHE A 37 14.176 -5.035 9.038 1.00 1.00 H new ATOM 493 N CYS A 38 12.813 -5.751 1.358 1.00 1.00 N ATOM 494 CA CYS A 38 13.205 -4.535 0.594 1.00 1.00 C ATOM 495 C CYS A 38 13.313 -4.852 -0.825 1.00 1.00 C ATOM 496 O CYS A 38 13.930 -4.150 -1.624 1.00 1.00 O ATOM 497 CB CYS A 38 14.482 -3.852 1.129 1.00 1.00 C ATOM 498 SG CYS A 38 15.952 -4.586 0.439 1.00 1.00 S ATOM 0 H CYS A 38 12.852 -6.610 0.809 1.00 1.00 H new ATOM 0 HA CYS A 38 12.413 -3.800 0.735 1.00 1.00 H new ATOM 0 HB2 CYS A 38 14.456 -2.790 0.887 1.00 1.00 H new ATOM 0 HB3 CYS A 38 14.510 -3.931 2.216 1.00 1.00 H new ATOM 503 N GLN A 39 12.737 -5.942 -1.103 1.00 1.00 N ATOM 504 CA GLN A 39 12.687 -6.563 -2.376 1.00 1.00 C ATOM 505 C GLN A 39 11.529 -7.543 -2.379 1.00 1.00 C ATOM 506 O GLN A 39 11.191 -8.017 -1.420 1.00 1.00 O ATOM 507 CB GLN A 39 14.104 -7.255 -2.593 1.00 1.00 C ATOM 508 CG GLN A 39 14.113 -8.760 -2.397 1.00 1.00 C ATOM 509 CD GLN A 39 13.321 -9.466 -3.517 1.00 1.00 C ATOM 510 OE1 GLN A 39 13.026 -10.659 -3.413 1.00 1.00 O ATOM 511 NE2 GLN A 39 12.964 -8.793 -4.583 1.00 1.00 N ATOM 0 H GLN A 39 12.241 -6.480 -0.392 1.00 1.00 H new ATOM 0 HA GLN A 39 12.512 -5.868 -3.197 1.00 1.00 H new ATOM 0 HB2 GLN A 39 14.451 -7.032 -3.602 1.00 1.00 H new ATOM 0 HB3 GLN A 39 14.820 -6.808 -1.903 1.00 1.00 H new ATOM 0 HG2 GLN A 39 15.141 -9.123 -2.388 1.00 1.00 H new ATOM 0 HG3 GLN A 39 13.679 -9.007 -1.428 1.00 1.00 H new ATOM 0 HE21 GLN A 39 13.208 -7.806 -4.669 1.00 1.00 H new ATOM 0 HE22 GLN A 39 12.442 -9.256 -5.327 1.00 1.00 H new ATOM 520 N GLY A 40 10.890 -7.764 -3.505 1.00 1.00 N ATOM 521 CA GLY A 40 9.716 -8.722 -3.521 1.00 1.00 C ATOM 522 C GLY A 40 8.342 -8.129 -3.937 1.00 1.00 C ATOM 523 O GLY A 40 8.160 -7.679 -5.068 1.00 1.00 O ATOM 0 H GLY A 40 11.118 -7.336 -4.402 1.00 1.00 H new ATOM 0 HA2 GLY A 40 9.953 -9.541 -4.200 1.00 1.00 H new ATOM 0 HA3 GLY A 40 9.614 -9.153 -2.525 1.00 1.00 H new ATOM 527 N THR A 41 7.327 -8.222 -2.983 1.00 1.00 N ATOM 528 CA THR A 41 5.907 -7.758 -3.292 1.00 1.00 C ATOM 529 C THR A 41 5.076 -7.185 -1.992 1.00 1.00 C ATOM 530 O THR A 41 5.202 -7.704 -0.928 1.00 1.00 O ATOM 531 CB THR A 41 5.168 -9.015 -3.884 1.00 1.00 C ATOM 532 OG1 THR A 41 4.505 -8.656 -5.074 1.00 1.00 O ATOM 533 CG2 THR A 41 4.169 -9.578 -2.901 1.00 1.00 C ATOM 0 H THR A 41 7.457 -8.594 -2.042 1.00 1.00 H new ATOM 0 HA THR A 41 5.956 -6.915 -3.981 1.00 1.00 H new ATOM 0 HB THR A 41 5.915 -9.782 -4.089 1.00 1.00 H new ATOM 0 HG1 THR A 41 4.047 -9.440 -5.442 1.00 1.00 H new ATOM 0 HG21 THR A 41 3.676 -10.445 -3.340 1.00 1.00 H new ATOM 0 HG22 THR A 41 4.685 -9.877 -1.989 1.00 1.00 H new ATOM 0 HG23 THR A 41 3.424 -8.818 -2.664 1.00 1.00 H new ATOM 541 N SER A 42 4.214 -6.157 -2.197 1.00 1.00 N ATOM 542 CA SER A 42 3.357 -5.600 -1.061 1.00 1.00 C ATOM 543 C SER A 42 2.032 -6.037 -1.259 1.00 1.00 C ATOM 544 O SER A 42 1.205 -5.280 -1.768 1.00 1.00 O ATOM 545 CB SER A 42 3.380 -3.965 -0.997 1.00 1.00 C ATOM 546 OG SER A 42 3.969 -3.457 -2.179 1.00 1.00 O ATOM 0 H SER A 42 4.079 -5.695 -3.096 1.00 1.00 H new ATOM 0 HA SER A 42 3.765 -5.962 -0.117 1.00 1.00 H new ATOM 0 HB2 SER A 42 2.366 -3.580 -0.888 1.00 1.00 H new ATOM 0 HB3 SER A 42 3.943 -3.632 -0.125 1.00 1.00 H new ATOM 0 HG SER A 42 3.982 -2.478 -2.143 1.00 1.00 H new ATOM 552 N ARG A 43 1.733 -7.286 -0.883 1.00 1.00 N ATOM 553 CA ARG A 43 0.388 -7.841 -1.054 1.00 1.00 C ATOM 554 C ARG A 43 -0.369 -7.207 -2.104 1.00 1.00 C ATOM 555 O ARG A 43 -1.377 -6.650 -1.868 1.00 1.00 O ATOM 556 CB ARG A 43 -0.370 -7.832 0.257 1.00 1.00 C ATOM 557 CG ARG A 43 -0.311 -6.372 0.989 1.00 1.00 C ATOM 558 CD ARG A 43 -1.599 -5.565 0.629 1.00 1.00 C ATOM 559 NE ARG A 43 -1.741 -4.487 1.583 1.00 1.00 N ATOM 560 CZ ARG A 43 -0.800 -3.520 1.666 1.00 1.00 C ATOM 561 NH1 ARG A 43 0.215 -3.509 0.817 1.00 1.00 N ATOM 562 NH2 ARG A 43 -0.899 -2.592 2.568 1.00 1.00 N ATOM 0 H ARG A 43 2.403 -7.929 -0.460 1.00 1.00 H new ATOM 0 HA ARG A 43 0.523 -8.875 -1.372 1.00 1.00 H new ATOM 0 HB2 ARG A 43 -1.410 -8.105 0.076 1.00 1.00 H new ATOM 0 HB3 ARG A 43 0.047 -8.588 0.922 1.00 1.00 H new ATOM 0 HG2 ARG A 43 -0.235 -6.496 2.069 1.00 1.00 H new ATOM 0 HG3 ARG A 43 0.576 -5.826 0.668 1.00 1.00 H new ATOM 0 HD2 ARG A 43 -1.528 -5.169 -0.384 1.00 1.00 H new ATOM 0 HD3 ARG A 43 -2.474 -6.214 0.657 1.00 1.00 H new ATOM 0 HE ARG A 43 -2.555 -4.456 2.196 1.00 1.00 H new ATOM 0 HH11 ARG A 43 0.288 -4.230 0.100 1.00 1.00 H new ATOM 0 HH12 ARG A 43 0.925 -2.779 0.880 1.00 1.00 H new ATOM 0 HH21 ARG A 43 -1.687 -2.592 3.215 1.00 1.00 H new ATOM 0 HH22 ARG A 43 -0.188 -1.863 2.630 1.00 1.00 H new ATOM 576 N LYS A 44 0.081 -7.413 -3.343 1.00 1.00 N ATOM 577 CA LYS A 44 -0.660 -6.916 -4.480 1.00 1.00 C ATOM 578 C LYS A 44 -1.979 -7.243 -4.273 1.00 1.00 C ATOM 579 O LYS A 44 -2.293 -8.365 -4.439 1.00 1.00 O ATOM 580 CB LYS A 44 -0.179 -7.555 -5.764 1.00 1.00 C ATOM 581 CG LYS A 44 -1.086 -7.082 -6.918 1.00 1.00 C ATOM 582 CD LYS A 44 -0.435 -7.436 -8.261 1.00 1.00 C ATOM 583 CE LYS A 44 -1.498 -7.436 -9.353 1.00 1.00 C ATOM 584 NZ LYS A 44 -0.869 -7.776 -10.667 1.00 1.00 N ATOM 0 H LYS A 44 0.940 -7.912 -3.572 1.00 1.00 H new ATOM 0 HA LYS A 44 -0.522 -5.839 -4.575 1.00 1.00 H new ATOM 0 HB2 LYS A 44 0.857 -7.278 -5.959 1.00 1.00 H new ATOM 0 HB3 LYS A 44 -0.209 -8.641 -5.680 1.00 1.00 H new ATOM 0 HG2 LYS A 44 -2.065 -7.554 -6.841 1.00 1.00 H new ATOM 0 HG3 LYS A 44 -1.245 -6.006 -6.852 1.00 1.00 H new ATOM 0 HD2 LYS A 44 0.348 -6.716 -8.500 1.00 1.00 H new ATOM 0 HD3 LYS A 44 0.040 -8.415 -8.201 1.00 1.00 H new ATOM 0 HE2 LYS A 44 -2.279 -8.158 -9.114 1.00 1.00 H new ATOM 0 HE3 LYS A 44 -1.976 -6.458 -9.409 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 -1.596 -7.775 -11.410 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 -0.140 -7.071 -10.896 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 -0.433 -8.719 -10.610 1.00 1.00 H new ATOM 598 N PRO A 45 -2.899 -6.235 -3.820 1.00 1.00 N ATOM 599 CA PRO A 45 -4.327 -6.532 -3.556 1.00 1.00 C ATOM 600 C PRO A 45 -4.797 -7.270 -4.648 1.00 1.00 C ATOM 601 O PRO A 45 -5.599 -6.831 -5.470 1.00 1.00 O ATOM 602 CB PRO A 45 -4.946 -5.206 -3.405 1.00 1.00 C ATOM 603 CG PRO A 45 -3.861 -4.433 -2.799 1.00 1.00 C ATOM 604 CD PRO A 45 -2.632 -4.838 -3.551 1.00 1.00 C ATOM 0 HA PRO A 45 -4.541 -7.127 -2.669 1.00 1.00 H new ATOM 0 HB2 PRO A 45 -5.258 -4.790 -4.363 1.00 1.00 H new ATOM 0 HB3 PRO A 45 -5.830 -5.238 -2.768 1.00 1.00 H new ATOM 0 HG2 PRO A 45 -4.043 -3.362 -2.887 1.00 1.00 H new ATOM 0 HG3 PRO A 45 -3.764 -4.654 -1.736 1.00 1.00 H new ATOM 0 HD2 PRO A 45 -2.505 -4.262 -4.467 1.00 1.00 H new ATOM 0 HD3 PRO A 45 -1.727 -4.701 -2.960 1.00 1.00 H new ATOM 612 N ASP A 46 -4.195 -8.362 -4.729 1.00 1.00 N ATOM 613 CA ASP A 46 -4.362 -9.240 -5.771 1.00 1.00 C ATOM 614 C ASP A 46 -5.796 -9.809 -5.803 1.00 1.00 C ATOM 615 O ASP A 46 -6.427 -9.901 -4.764 1.00 1.00 O ATOM 616 CB ASP A 46 -3.278 -10.440 -5.665 1.00 1.00 C ATOM 617 CG ASP A 46 -3.727 -11.655 -6.468 1.00 1.00 C ATOM 618 OD1 ASP A 46 -4.751 -12.225 -6.118 1.00 1.00 O ATOM 619 OD2 ASP A 46 -3.045 -12.001 -7.414 1.00 1.00 O ATOM 0 H ASP A 46 -3.532 -8.685 -4.025 1.00 1.00 H new ATOM 0 HA ASP A 46 -4.201 -8.696 -6.702 1.00 1.00 H new ATOM 0 HB2 ASP A 46 -2.311 -10.095 -6.031 1.00 1.00 H new ATOM 0 HB3 ASP A 46 -3.142 -10.720 -4.621 1.00 1.00 H new ATOM 624 N PRO A 47 -6.328 -10.223 -7.002 1.00 1.00 N ATOM 625 CA PRO A 47 -7.708 -10.832 -7.095 1.00 1.00 C ATOM 626 C PRO A 47 -7.862 -12.103 -6.178 1.00 1.00 C ATOM 627 O PRO A 47 -8.306 -13.157 -6.631 1.00 1.00 O ATOM 628 CB PRO A 47 -7.843 -11.208 -8.599 1.00 1.00 C ATOM 629 CG PRO A 47 -6.872 -10.315 -9.317 1.00 1.00 C ATOM 630 CD PRO A 47 -5.691 -10.125 -8.366 1.00 1.00 C ATOM 0 HA PRO A 47 -8.482 -10.146 -6.752 1.00 1.00 H new ATOM 0 HB2 PRO A 47 -7.608 -12.259 -8.765 1.00 1.00 H new ATOM 0 HB3 PRO A 47 -8.861 -11.049 -8.955 1.00 1.00 H new ATOM 0 HG2 PRO A 47 -6.549 -10.765 -10.255 1.00 1.00 H new ATOM 0 HG3 PRO A 47 -7.332 -9.358 -9.564 1.00 1.00 H new ATOM 0 HD2 PRO A 47 -4.930 -10.892 -8.511 1.00 1.00 H new ATOM 0 HD3 PRO A 47 -5.205 -9.161 -8.515 1.00 1.00 H new ATOM 638 N GLY A 48 -7.505 -11.949 -4.895 1.00 1.00 N ATOM 639 CA GLY A 48 -7.611 -13.031 -3.906 1.00 1.00 C ATOM 640 C GLY A 48 -8.170 -12.436 -2.653 1.00 1.00 C ATOM 641 O GLY A 48 -9.372 -12.525 -2.398 1.00 1.00 O ATOM 0 H GLY A 48 -7.137 -11.077 -4.515 1.00 1.00 H new ATOM 0 HA2 GLY A 48 -8.258 -13.827 -4.275 1.00 1.00 H new ATOM 0 HA3 GLY A 48 -6.634 -13.476 -3.717 1.00 1.00 H new ATOM 645 N PRO A 49 -7.346 -11.749 -1.883 1.00 1.00 N ATOM 646 CA PRO A 49 -7.815 -11.069 -0.712 1.00 1.00 C ATOM 647 C PRO A 49 -8.909 -10.085 -1.112 1.00 1.00 C ATOM 648 O PRO A 49 -10.090 -10.400 -0.990 1.00 1.00 O ATOM 649 CB PRO A 49 -6.547 -10.341 -0.118 1.00 1.00 C ATOM 650 CG PRO A 49 -5.481 -10.440 -1.169 1.00 1.00 C ATOM 651 CD PRO A 49 -5.895 -11.587 -2.092 1.00 1.00 C ATOM 0 HA PRO A 49 -8.252 -11.737 0.031 1.00 1.00 H new ATOM 0 HB2 PRO A 49 -6.769 -9.300 0.115 1.00 1.00 H new ATOM 0 HB3 PRO A 49 -6.225 -10.814 0.810 1.00 1.00 H new ATOM 0 HG2 PRO A 49 -5.394 -9.506 -1.724 1.00 1.00 H new ATOM 0 HG3 PRO A 49 -4.508 -10.635 -0.719 1.00 1.00 H new ATOM 0 HD2 PRO A 49 -5.671 -11.355 -3.133 1.00 1.00 H new ATOM 0 HD3 PRO A 49 -5.357 -12.503 -1.847 1.00 1.00 H new ATOM 659 N LYS A 50 -8.490 -8.854 -1.511 1.00 1.00 N ATOM 660 CA LYS A 50 -9.402 -7.701 -1.887 1.00 1.00 C ATOM 661 C LYS A 50 -10.000 -7.074 -0.644 1.00 1.00 C ATOM 662 O LYS A 50 -11.160 -6.658 -0.646 1.00 1.00 O ATOM 663 CB LYS A 50 -10.567 -8.229 -2.866 1.00 1.00 C ATOM 664 CG LYS A 50 -10.188 -7.934 -4.432 1.00 1.00 C ATOM 665 CD LYS A 50 -10.715 -6.480 -4.871 1.00 1.00 C ATOM 666 CE LYS A 50 -10.216 -5.356 -3.875 1.00 1.00 C ATOM 667 NZ LYS A 50 -8.717 -5.244 -3.936 1.00 1.00 N ATOM 0 H LYS A 50 -7.501 -8.616 -1.587 1.00 1.00 H new ATOM 0 HA LYS A 50 -8.819 -6.941 -2.406 1.00 1.00 H new ATOM 0 HB2 LYS A 50 -10.715 -9.299 -2.718 1.00 1.00 H new ATOM 0 HB3 LYS A 50 -11.508 -7.739 -2.616 1.00 1.00 H new ATOM 0 HG2 LYS A 50 -9.108 -7.993 -4.569 1.00 1.00 H new ATOM 0 HG3 LYS A 50 -10.633 -8.697 -5.071 1.00 1.00 H new ATOM 0 HD2 LYS A 50 -10.367 -6.255 -5.879 1.00 1.00 H new ATOM 0 HD3 LYS A 50 -11.805 -6.481 -4.903 1.00 1.00 H new ATOM 0 HE2 LYS A 50 -10.671 -4.400 -4.134 1.00 1.00 H new ATOM 0 HE3 LYS A 50 -10.530 -5.593 -2.859 1.00 1.00 H new ATOM 0 HZ1 LYS A 50 -8.361 -4.853 -3.040 1.00 1.00 H new ATOM 0 HZ2 LYS A 50 -8.304 -6.186 -4.090 1.00 1.00 H new ATOM 0 HZ3 LYS A 50 -8.447 -4.615 -4.719 1.00 1.00 H new ATOM 681 N GLY A 51 -9.236 -7.056 0.471 1.00 1.00 N ATOM 682 CA GLY A 51 -9.684 -6.597 1.607 1.00 1.00 C ATOM 683 C GLY A 51 -8.875 -7.185 2.611 1.00 1.00 C ATOM 684 O GLY A 51 -8.208 -6.553 3.188 1.00 1.00 O ATOM 0 H GLY A 51 -8.274 -7.393 0.505 1.00 1.00 H new ATOM 0 HA2 GLY A 51 -9.620 -5.509 1.641 1.00 1.00 H new ATOM 0 HA3 GLY A 51 -10.733 -6.859 1.748 1.00 1.00 H new ATOM 688 N PRO A 52 -8.915 -8.487 2.798 1.00 1.00 N ATOM 689 CA PRO A 52 -8.026 -9.191 3.817 1.00 1.00 C ATOM 690 C PRO A 52 -6.548 -8.667 3.761 1.00 1.00 C ATOM 691 O PRO A 52 -5.642 -9.376 3.918 1.00 1.00 O ATOM 692 CB PRO A 52 -8.097 -10.641 3.399 1.00 1.00 C ATOM 693 CG PRO A 52 -9.449 -10.791 2.747 1.00 1.00 C ATOM 694 CD PRO A 52 -9.788 -9.414 2.114 1.00 1.00 C ATOM 0 HA PRO A 52 -8.352 -9.019 4.843 1.00 1.00 H new ATOM 0 HB2 PRO A 52 -7.294 -10.892 2.706 1.00 1.00 H new ATOM 0 HB3 PRO A 52 -7.996 -11.305 4.257 1.00 1.00 H new ATOM 0 HG2 PRO A 52 -9.429 -11.573 1.988 1.00 1.00 H new ATOM 0 HG3 PRO A 52 -10.203 -11.078 3.480 1.00 1.00 H new ATOM 0 HD2 PRO A 52 -9.606 -9.414 1.039 1.00 1.00 H new ATOM 0 HD3 PRO A 52 -10.837 -9.156 2.260 1.00 1.00 H new ATOM 702 N THR A 53 -6.443 -7.446 3.569 1.00 1.00 N ATOM 703 CA THR A 53 -5.241 -6.710 3.510 1.00 1.00 C ATOM 704 C THR A 53 -5.725 -5.277 3.743 1.00 1.00 C ATOM 705 O THR A 53 -6.876 -5.060 3.652 1.00 1.00 O ATOM 706 CB THR A 53 -4.509 -6.864 2.216 1.00 1.00 C ATOM 707 OG1 THR A 53 -4.422 -5.665 1.639 1.00 1.00 O ATOM 708 CG2 THR A 53 -5.238 -7.810 1.271 1.00 1.00 C ATOM 0 H THR A 53 -7.263 -6.855 3.433 1.00 1.00 H new ATOM 0 HA THR A 53 -4.505 -7.048 4.239 1.00 1.00 H new ATOM 0 HB THR A 53 -3.523 -7.280 2.421 1.00 1.00 H new ATOM 0 HG1 THR A 53 -4.276 -5.775 0.676 1.00 1.00 H new ATOM 0 HG21 THR A 53 -4.677 -7.898 0.340 1.00 1.00 H new ATOM 0 HG22 THR A 53 -5.326 -8.792 1.736 1.00 1.00 H new ATOM 0 HG23 THR A 53 -6.233 -7.418 1.059 1.00 1.00 H new ATOM 716 N TYR A 54 -4.951 -4.363 4.085 1.00 1.00 N ATOM 717 CA TYR A 54 -5.594 -2.968 4.425 1.00 1.00 C ATOM 718 C TYR A 54 -4.638 -2.007 5.167 1.00 1.00 C ATOM 719 O TYR A 54 -4.044 -2.400 6.168 1.00 1.00 O ATOM 720 CB TYR A 54 -6.830 -3.273 5.403 1.00 1.00 C ATOM 721 CG TYR A 54 -6.906 -2.310 6.657 1.00 1.00 C ATOM 722 CD1 TYR A 54 -6.084 -2.544 7.775 1.00 1.00 C ATOM 723 CD2 TYR A 54 -7.801 -1.226 6.675 1.00 1.00 C ATOM 724 CE1 TYR A 54 -6.156 -1.701 8.888 1.00 1.00 C ATOM 725 CE2 TYR A 54 -7.867 -0.388 7.791 1.00 1.00 C ATOM 726 CZ TYR A 54 -7.046 -0.624 8.894 1.00 1.00 C ATOM 727 OH TYR A 54 -7.116 0.205 9.994 1.00 1.00 O ATOM 0 H TYR A 54 -3.936 -4.430 4.167 1.00 1.00 H new ATOM 0 HA TYR A 54 -5.870 -2.481 3.490 1.00 1.00 H new ATOM 0 HB2 TYR A 54 -7.758 -3.191 4.837 1.00 1.00 H new ATOM 0 HB3 TYR A 54 -6.760 -4.303 5.752 1.00 1.00 H new ATOM 0 HD1 TYR A 54 -5.396 -3.377 7.773 1.00 1.00 H new ATOM 0 HD2 TYR A 54 -8.439 -1.041 5.824 1.00 1.00 H new ATOM 0 HE1 TYR A 54 -5.523 -1.882 9.744 1.00 1.00 H new ATOM 0 HE2 TYR A 54 -8.555 0.444 7.800 1.00 1.00 H new ATOM 0 HH TYR A 54 -7.784 0.904 9.835 1.00 1.00 H new ATOM 737 N CYS A 55 -4.476 -0.631 4.653 1.00 1.00 N ATOM 738 CA CYS A 55 -3.534 0.324 5.424 1.00 1.00 C ATOM 739 C CYS A 55 -4.018 1.776 5.745 1.00 1.00 C ATOM 740 O CYS A 55 -3.758 2.335 6.813 1.00 1.00 O ATOM 741 CB CYS A 55 -2.204 0.407 4.685 1.00 1.00 C ATOM 742 SG CYS A 55 -0.845 0.279 5.947 1.00 1.00 S ATOM 0 H CYS A 55 -4.932 -0.244 3.827 1.00 1.00 H new ATOM 0 HA CYS A 55 -3.476 -0.139 6.409 1.00 1.00 H new ATOM 0 HB2 CYS A 55 -2.123 -0.397 3.953 1.00 1.00 H new ATOM 0 HB3 CYS A 55 -2.129 1.346 4.137 1.00 1.00 H new ATOM 747 N TRP A 56 -4.680 2.335 4.757 1.00 1.00 N ATOM 748 CA TRP A 56 -5.186 3.628 4.757 1.00 1.00 C ATOM 749 C TRP A 56 -6.743 3.673 4.803 1.00 1.00 C ATOM 750 O TRP A 56 -7.361 3.009 5.636 1.00 1.00 O ATOM 751 CB TRP A 56 -4.758 4.239 3.422 1.00 1.00 C ATOM 752 CG TRP A 56 -4.955 5.725 3.436 1.00 1.00 C ATOM 753 CD1 TRP A 56 -5.285 6.387 2.383 1.00 1.00 C ATOM 754 CD2 TRP A 56 -4.841 6.740 4.554 1.00 1.00 C ATOM 755 NE1 TRP A 56 -5.362 7.669 2.667 1.00 1.00 N ATOM 756 CE2 TRP A 56 -5.109 7.946 4.012 1.00 1.00 C ATOM 757 CE3 TRP A 56 -4.520 6.708 5.973 1.00 1.00 C ATOM 758 CZ2 TRP A 56 -5.090 9.131 4.761 1.00 1.00 C ATOM 759 CZ3 TRP A 56 -4.506 7.897 6.716 1.00 1.00 C ATOM 760 CH2 TRP A 56 -4.794 9.099 6.105 1.00 1.00 C ATOM 0 H TRP A 56 -4.875 1.838 3.888 1.00 1.00 H new ATOM 0 HA TRP A 56 -4.816 4.153 5.638 1.00 1.00 H new ATOM 0 HB2 TRP A 56 -3.711 4.007 3.229 1.00 1.00 H new ATOM 0 HB3 TRP A 56 -5.337 3.797 2.611 1.00 1.00 H new ATOM 0 HD1 TRP A 56 -5.471 5.954 1.411 1.00 1.00 H new ATOM 0 HE1 TRP A 56 -5.584 8.386 1.976 1.00 1.00 H new ATOM 0 HE3 TRP A 56 -4.292 5.768 6.454 1.00 1.00 H new ATOM 0 HZ2 TRP A 56 -5.309 10.074 4.281 1.00 1.00 H new ATOM 0 HZ3 TRP A 56 -4.269 7.871 7.769 1.00 1.00 H new ATOM 0 HH2 TRP A 56 -4.787 10.013 6.680 1.00 1.00 H new ATOM 771 N ASP A 57 -7.410 4.448 3.740 1.00 1.00 N ATOM 772 CA ASP A 57 -8.796 4.503 3.591 1.00 1.00 C ATOM 773 C ASP A 57 -9.229 5.781 2.796 1.00 1.00 C ATOM 774 O ASP A 57 -10.402 6.128 2.832 1.00 1.00 O ATOM 775 CB ASP A 57 -9.463 4.511 4.946 1.00 1.00 C ATOM 776 CG ASP A 57 -9.998 3.109 5.345 1.00 1.00 C ATOM 777 OD1 ASP A 57 -10.015 2.225 4.498 1.00 1.00 O ATOM 778 OD2 ASP A 57 -10.382 2.950 6.497 1.00 1.00 O ATOM 0 H ASP A 57 -6.901 4.994 3.045 1.00 1.00 H new ATOM 0 HA ASP A 57 -9.107 3.621 3.031 1.00 1.00 H new ATOM 0 HB2 ASP A 57 -8.751 4.854 5.697 1.00 1.00 H new ATOM 0 HB3 ASP A 57 -10.287 5.224 4.939 1.00 1.00 H new ATOM 783 N GLU A 58 -8.278 6.502 2.117 1.00 1.00 N ATOM 784 CA GLU A 58 -8.648 7.685 1.472 1.00 1.00 C ATOM 785 C GLU A 58 -7.512 8.344 0.930 1.00 1.00 C ATOM 786 O GLU A 58 -7.048 9.256 1.559 1.00 1.00 O ATOM 787 CB GLU A 58 -9.229 8.629 2.593 1.00 1.00 C ATOM 788 CG GLU A 58 -8.247 8.616 3.777 1.00 1.00 C ATOM 789 CD GLU A 58 -8.860 9.330 4.970 1.00 1.00 C ATOM 790 OE1 GLU A 58 -8.817 10.550 4.992 1.00 1.00 O ATOM 791 OE2 GLU A 58 -9.368 8.651 5.846 1.00 1.00 O ATOM 0 H GLU A 58 -7.294 6.247 2.036 1.00 1.00 H new ATOM 0 HA GLU A 58 -9.353 7.466 0.670 1.00 1.00 H new ATOM 0 HB2 GLU A 58 -9.354 9.642 2.212 1.00 1.00 H new ATOM 0 HB3 GLU A 58 -10.213 8.284 2.910 1.00 1.00 H new ATOM 0 HG2 GLU A 58 -8.001 7.588 4.045 1.00 1.00 H new ATOM 0 HG3 GLU A 58 -7.314 9.103 3.492 1.00 1.00 H new ATOM 798 N ALA A 59 -6.959 8.039 -0.243 1.00 1.00 N ATOM 799 CA ALA A 59 -5.808 8.904 -0.680 1.00 1.00 C ATOM 800 C ALA A 59 -5.885 9.235 -2.260 1.00 1.00 C ATOM 801 O ALA A 59 -4.908 9.585 -2.828 1.00 1.00 O ATOM 802 CB ALA A 59 -4.655 8.152 -0.472 1.00 1.00 C ATOM 0 H ALA A 59 -7.235 7.284 -0.870 1.00 1.00 H new ATOM 0 HA ALA A 59 -5.824 9.842 -0.126 1.00 1.00 H new ATOM 0 HB1 ALA A 59 -3.783 8.732 -0.773 1.00 1.00 H new ATOM 0 HB2 ALA A 59 -4.573 7.896 0.584 1.00 1.00 H new ATOM 0 HB3 ALA A 59 -4.705 7.238 -1.064 1.00 1.00 H new ATOM 808 N LYS A 60 -7.064 8.856 -2.970 1.00 1.00 N ATOM 809 CA LYS A 60 -7.092 8.875 -4.355 1.00 1.00 C ATOM 810 C LYS A 60 -6.958 10.156 -4.919 1.00 1.00 C ATOM 811 O LYS A 60 -6.276 10.385 -5.829 1.00 1.00 O ATOM 812 CB LYS A 60 -8.501 8.251 -4.877 1.00 1.00 C ATOM 813 CG LYS A 60 -9.144 7.489 -3.725 1.00 1.00 C ATOM 814 CD LYS A 60 -10.383 6.634 -4.216 1.00 1.00 C ATOM 815 CE LYS A 60 -11.711 7.490 -4.125 1.00 1.00 C ATOM 816 NZ LYS A 60 -12.396 7.198 -2.829 1.00 1.00 N ATOM 0 H LYS A 60 -7.933 8.557 -2.527 1.00 1.00 H new ATOM 0 HA LYS A 60 -6.232 8.286 -4.673 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -9.163 9.045 -5.223 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -8.331 7.586 -5.724 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -8.406 6.832 -3.265 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -9.467 8.192 -2.957 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -10.223 6.306 -5.243 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -10.479 5.736 -3.606 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -11.479 8.553 -4.196 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -12.370 7.251 -4.960 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -13.270 7.758 -2.764 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -12.629 6.186 -2.780 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -11.766 7.447 -2.040 1.00 1.00 H new ATOM 872 N PRO A 65 -7.288 13.837 -0.247 1.00 1.00 N ATOM 873 CA PRO A 65 -7.012 12.742 0.613 1.00 1.00 C ATOM 874 C PRO A 65 -5.552 12.529 0.713 1.00 1.00 C ATOM 875 O PRO A 65 -4.798 13.343 0.278 1.00 1.00 O ATOM 876 CB PRO A 65 -7.786 11.530 -0.025 1.00 1.00 C ATOM 877 CG PRO A 65 -8.799 12.190 -0.789 1.00 1.00 C ATOM 878 CD PRO A 65 -8.080 13.425 -1.333 1.00 1.00 C ATOM 0 HA PRO A 65 -7.340 12.898 1.641 1.00 1.00 H new ATOM 0 HB2 PRO A 65 -7.138 10.917 -0.651 1.00 1.00 H new ATOM 0 HB3 PRO A 65 -8.211 10.873 0.734 1.00 1.00 H new ATOM 0 HG2 PRO A 65 -9.174 11.556 -1.593 1.00 1.00 H new ATOM 0 HG3 PRO A 65 -9.655 12.462 -0.172 1.00 1.00 H new ATOM 0 HD2 PRO A 65 -7.473 13.186 -2.207 1.00 1.00 H new ATOM 0 HD3 PRO A 65 -8.784 14.200 -1.636 1.00 1.00 H new ATOM 886 N ASN A 66 -5.164 11.536 1.366 1.00 1.00 N ATOM 887 CA ASN A 66 -3.661 11.343 1.592 1.00 1.00 C ATOM 888 C ASN A 66 -2.906 11.586 0.312 1.00 1.00 C ATOM 889 O ASN A 66 -1.733 11.915 0.331 1.00 1.00 O ATOM 890 CB ASN A 66 -3.304 9.936 2.149 1.00 1.00 C ATOM 891 CG ASN A 66 -2.439 10.043 3.436 1.00 1.00 C ATOM 892 OD1 ASN A 66 -1.620 11.053 3.582 1.00 1.00 O flip ATOM 893 ND2 ASN A 66 -2.517 9.182 4.311 1.00 1.00 N flip ATOM 0 H ASN A 66 -5.769 10.823 1.774 1.00 1.00 H new ATOM 0 HA ASN A 66 -3.366 12.072 2.347 1.00 1.00 H new ATOM 0 HB2 ASN A 66 -4.219 9.386 2.368 1.00 1.00 H new ATOM 0 HB3 ASN A 66 -2.764 9.368 1.391 1.00 1.00 H new ATOM 0 HD21 ASN A 66 -3.156 8.395 4.197 1.00 1.00 H new ATOM 0 HD22 ASN A 66 -1.943 9.255 5.151 1.00 1.00 H new ATOM 900 N ARG A 67 -3.662 11.415 -0.809 1.00 1.00 N ATOM 901 CA ARG A 67 -3.177 11.621 -2.195 1.00 1.00 C ATOM 902 C ARG A 67 -2.374 10.501 -2.735 1.00 1.00 C ATOM 903 O ARG A 67 -1.302 10.233 -2.286 1.00 1.00 O ATOM 904 CB ARG A 67 -2.336 12.922 -2.283 1.00 1.00 C ATOM 905 CG ARG A 67 -3.267 14.119 -2.266 1.00 1.00 C ATOM 906 CD ARG A 67 -3.603 14.506 -3.680 1.00 1.00 C ATOM 907 NE ARG A 67 -2.486 15.334 -4.277 1.00 1.00 N ATOM 908 CZ ARG A 67 -2.100 16.545 -3.749 1.00 1.00 C ATOM 909 NH1 ARG A 67 -2.706 17.045 -2.703 1.00 1.00 N ATOM 910 NH2 ARG A 67 -1.113 17.213 -4.299 1.00 1.00 N ATOM 0 H ARG A 67 -4.639 11.126 -0.769 1.00 1.00 H new ATOM 0 HA ARG A 67 -4.078 11.689 -2.805 1.00 1.00 H new ATOM 0 HB2 ARG A 67 -1.639 12.976 -1.447 1.00 1.00 H new ATOM 0 HB3 ARG A 67 -1.740 12.923 -3.195 1.00 1.00 H new ATOM 0 HG2 ARG A 67 -4.177 13.879 -1.716 1.00 1.00 H new ATOM 0 HG3 ARG A 67 -2.794 14.955 -1.750 1.00 1.00 H new ATOM 0 HD2 ARG A 67 -3.763 13.611 -4.281 1.00 1.00 H new ATOM 0 HD3 ARG A 67 -4.534 15.072 -3.698 1.00 1.00 H new ATOM 0 HE ARG A 67 -2.001 14.981 -5.102 1.00 1.00 H new ATOM 0 HH11 ARG A 67 -3.475 16.536 -2.268 1.00 1.00 H new ATOM 0 HH12 ARG A 67 -2.409 17.944 -2.323 1.00 1.00 H new ATOM 0 HH21 ARG A 67 -0.634 16.834 -5.116 1.00 1.00 H new ATOM 0 HH22 ARG A 67 -0.825 18.111 -3.909 1.00 1.00 H new ATOM 924 N CYS A 68 -2.868 9.966 -3.789 1.00 1.00 N ATOM 925 CA CYS A 68 -2.215 8.977 -4.552 1.00 1.00 C ATOM 926 C CYS A 68 -2.839 9.082 -5.779 1.00 1.00 C ATOM 927 O CYS A 68 -2.375 9.822 -6.646 1.00 1.00 O ATOM 928 CB CYS A 68 -2.263 7.508 -3.889 1.00 1.00 C ATOM 929 SG CYS A 68 -3.834 7.142 -3.094 1.00 1.00 S ATOM 0 H CYS A 68 -3.784 10.221 -4.159 1.00 1.00 H new ATOM 0 HA CYS A 68 -1.138 9.129 -4.625 1.00 1.00 H new ATOM 0 HB2 CYS A 68 -2.071 6.762 -4.660 1.00 1.00 H new ATOM 0 HB3 CYS A 68 -1.462 7.421 -3.154 1.00 1.00 H new ATOM 934 N SER A 69 -3.865 8.401 -5.929 1.00 1.00 N ATOM 935 CA SER A 69 -4.617 8.435 -7.132 1.00 1.00 C ATOM 936 C SER A 69 -4.071 7.519 -8.135 1.00 1.00 C ATOM 937 O SER A 69 -4.814 6.942 -8.928 1.00 1.00 O ATOM 938 CB SER A 69 -4.667 9.895 -7.774 1.00 1.00 C ATOM 939 OG SER A 69 -3.693 9.985 -8.825 1.00 1.00 O ATOM 0 H SER A 69 -4.242 7.776 -5.216 1.00 1.00 H new ATOM 0 HA SER A 69 -5.625 8.128 -6.855 1.00 1.00 H new ATOM 0 HB2 SER A 69 -5.663 10.098 -8.167 1.00 1.00 H new ATOM 0 HB3 SER A 69 -4.466 10.647 -7.011 1.00 1.00 H new ATOM 0 HG SER A 69 -2.806 10.139 -8.437 1.00 1.00 H new ATOM 945 N ASN A 70 -2.747 7.450 -8.206 1.00 1.00 N ATOM 946 CA ASN A 70 -2.094 6.665 -9.260 1.00 1.00 C ATOM 947 C ASN A 70 -1.590 5.425 -8.799 1.00 1.00 C ATOM 948 O ASN A 70 -1.756 4.421 -9.468 1.00 1.00 O ATOM 949 CB ASN A 70 -0.964 7.481 -9.861 1.00 1.00 C ATOM 950 CG ASN A 70 -1.488 8.848 -10.292 1.00 1.00 C ATOM 951 OD1 ASN A 70 -1.016 9.876 -9.807 1.00 1.00 O ATOM 952 ND2 ASN A 70 -2.442 8.919 -11.175 1.00 1.00 N ATOM 0 H ASN A 70 -2.109 7.917 -7.561 1.00 1.00 H new ATOM 0 HA ASN A 70 -2.852 6.438 -10.009 1.00 1.00 H new ATOM 0 HB2 ASN A 70 -0.162 7.602 -9.132 1.00 1.00 H new ATOM 0 HB3 ASN A 70 -0.540 6.957 -10.718 1.00 1.00 H new ATOM 0 HD21 ASN A 70 -2.800 9.828 -11.467 1.00 1.00 H new ATOM 0 HD22 ASN A 70 -2.831 8.065 -11.575 1.00 1.00 H new ATOM 959 N SER A 71 -0.990 5.429 -7.641 1.00 1.00 N ATOM 960 CA SER A 71 -0.449 4.155 -7.063 1.00 1.00 C ATOM 961 C SER A 71 0.631 4.357 -5.824 1.00 1.00 C ATOM 962 O SER A 71 1.690 3.742 -5.844 1.00 1.00 O ATOM 963 CB SER A 71 0.222 3.355 -8.211 1.00 1.00 C ATOM 964 OG SER A 71 1.280 2.536 -7.711 1.00 1.00 O ATOM 0 H SER A 71 -0.848 6.259 -7.065 1.00 1.00 H new ATOM 0 HA SER A 71 -1.293 3.624 -6.623 1.00 1.00 H new ATOM 0 HB2 SER A 71 -0.521 2.732 -8.708 1.00 1.00 H new ATOM 0 HB3 SER A 71 0.613 4.044 -8.960 1.00 1.00 H new ATOM 0 HG SER A 71 1.139 2.367 -6.756 1.00 1.00 H new ATOM 970 N LYS A 72 0.411 5.366 -4.864 1.00 1.00 N ATOM 971 CA LYS A 72 1.530 5.682 -3.849 1.00 1.00 C ATOM 972 C LYS A 72 1.171 6.194 -2.535 1.00 1.00 C ATOM 973 O LYS A 72 1.874 7.021 -1.978 1.00 1.00 O ATOM 974 CB LYS A 72 2.291 6.980 -4.543 1.00 1.00 C ATOM 975 CG LYS A 72 1.368 8.254 -4.584 1.00 1.00 C ATOM 976 CD LYS A 72 2.094 9.464 -3.851 1.00 1.00 C ATOM 977 CE LYS A 72 1.369 10.800 -4.142 1.00 1.00 C ATOM 978 NZ LYS A 72 2.242 11.944 -3.716 1.00 1.00 N ATOM 0 H LYS A 72 -0.440 5.922 -4.774 1.00 1.00 H new ATOM 0 HA LYS A 72 2.049 4.740 -3.673 1.00 1.00 H new ATOM 0 HB2 LYS A 72 3.199 7.208 -3.985 1.00 1.00 H new ATOM 0 HB3 LYS A 72 2.597 6.721 -5.557 1.00 1.00 H new ATOM 0 HG2 LYS A 72 1.147 8.522 -5.617 1.00 1.00 H new ATOM 0 HG3 LYS A 72 0.415 8.041 -4.099 1.00 1.00 H new ATOM 0 HD2 LYS A 72 2.115 9.284 -2.776 1.00 1.00 H new ATOM 0 HD3 LYS A 72 3.130 9.528 -4.184 1.00 1.00 H new ATOM 0 HE2 LYS A 72 1.141 10.879 -5.205 1.00 1.00 H new ATOM 0 HE3 LYS A 72 0.419 10.835 -3.609 1.00 1.00 H new ATOM 0 HZ1 LYS A 72 1.756 12.843 -3.911 1.00 1.00 H new ATOM 0 HZ2 LYS A 72 2.438 11.870 -2.697 1.00 1.00 H new ATOM 0 HZ3 LYS A 72 3.137 11.913 -4.244 1.00 1.00 H new ATOM 992 N GLN A 73 0.167 5.857 -2.133 1.00 1.00 N ATOM 993 CA GLN A 73 -0.415 6.411 -0.868 1.00 1.00 C ATOM 994 C GLN A 73 -1.850 5.988 -0.764 1.00 1.00 C ATOM 995 O GLN A 73 -2.625 6.734 -0.378 1.00 1.00 O ATOM 996 CB GLN A 73 -0.452 8.080 -0.989 1.00 1.00 C ATOM 997 CG GLN A 73 0.175 8.767 0.207 1.00 1.00 C ATOM 998 CD GLN A 73 -0.389 8.212 1.520 1.00 1.00 C ATOM 999 OE1 GLN A 73 -1.280 7.363 1.507 1.00 1.00 O ATOM 1000 NE2 GLN A 73 0.084 8.649 2.655 1.00 1.00 N ATOM 0 H GLN A 73 -0.419 5.158 -2.590 1.00 1.00 H new ATOM 0 HA GLN A 73 0.176 6.065 -0.020 1.00 1.00 H new ATOM 0 HB2 GLN A 73 0.072 8.386 -1.895 1.00 1.00 H new ATOM 0 HB3 GLN A 73 -1.486 8.410 -1.092 1.00 1.00 H new ATOM 0 HG2 GLN A 73 1.256 8.629 0.185 1.00 1.00 H new ATOM 0 HG3 GLN A 73 -0.010 9.840 0.153 1.00 1.00 H new ATOM 0 HE21 GLN A 73 0.822 9.353 2.663 1.00 1.00 H new ATOM 0 HE22 GLN A 73 -0.285 8.287 3.534 1.00 1.00 H new ATOM 1009 N CYS A 74 -2.165 4.818 -1.048 1.00 1.00 N ATOM 1010 CA CYS A 74 -3.666 4.375 -0.910 1.00 1.00 C ATOM 1011 C CYS A 74 -3.727 3.414 0.220 1.00 1.00 C ATOM 1012 O CYS A 74 -3.022 3.676 1.173 1.00 1.00 O ATOM 1013 CB CYS A 74 -4.110 3.860 -2.278 1.00 1.00 C ATOM 1014 SG CYS A 74 -4.355 5.264 -3.689 1.00 1.00 S ATOM 0 H CYS A 74 -1.520 4.097 -1.372 1.00 1.00 H new ATOM 0 HA CYS A 74 -4.370 5.168 -0.659 1.00 1.00 H new ATOM 0 HB2 CYS A 74 -3.374 3.138 -2.632 1.00 1.00 H new ATOM 0 HB3 CYS A 74 -5.051 3.323 -2.157 1.00 1.00 H new ATOM 1019 N ASP A 75 -4.648 2.282 0.268 1.00 1.00 N ATOM 1020 CA ASP A 75 -4.685 1.459 1.645 1.00 1.00 C ATOM 1021 C ASP A 75 -3.932 0.171 1.665 1.00 1.00 C ATOM 1022 O ASP A 75 -2.712 0.184 1.814 1.00 1.00 O ATOM 1023 CB ASP A 75 -6.227 1.406 2.100 1.00 1.00 C ATOM 1024 CG ASP A 75 -6.427 0.593 3.272 1.00 1.00 C ATOM 1025 OD1 ASP A 75 -6.321 -0.510 3.149 1.00 1.00 O ATOM 1026 OD2 ASP A 75 -6.711 1.134 4.313 1.00 1.00 O ATOM 0 H ASP A 75 -5.265 1.964 -0.479 1.00 1.00 H new ATOM 0 HA ASP A 75 -4.102 1.978 2.406 1.00 1.00 H new ATOM 0 HB2 ASP A 75 -6.579 2.418 2.299 1.00 1.00 H new ATOM 0 HB3 ASP A 75 -6.831 1.014 1.282 1.00 1.00 H new ATOM 1031 N GLY A 76 -4.602 -0.921 1.578 1.00 1.00 N ATOM 1032 CA GLY A 76 -3.918 -2.218 1.659 1.00 1.00 C ATOM 1033 C GLY A 76 -4.490 -3.274 0.789 1.00 1.00 C ATOM 1034 O GLY A 76 -3.780 -4.143 0.379 1.00 1.00 O ATOM 0 H GLY A 76 -5.613 -0.973 1.452 1.00 1.00 H new ATOM 0 HA2 GLY A 76 -2.869 -2.078 1.396 1.00 1.00 H new ATOM 0 HA3 GLY A 76 -3.944 -2.564 2.692 1.00 1.00 H new ATOM 1038 N ALA A 77 -5.756 -3.180 0.465 1.00 1.00 N ATOM 1039 CA ALA A 77 -6.400 -4.154 -0.390 1.00 1.00 C ATOM 1040 C ALA A 77 -7.095 -3.473 -1.575 1.00 1.00 C ATOM 1041 O ALA A 77 -8.211 -3.847 -1.942 1.00 1.00 O ATOM 1042 CB ALA A 77 -7.481 -4.818 0.421 1.00 1.00 C ATOM 0 H ALA A 77 -6.370 -2.430 0.784 1.00 1.00 H new ATOM 0 HA ALA A 77 -5.649 -4.853 -0.759 1.00 1.00 H new ATOM 0 HB1 ALA A 77 -7.991 -5.561 -0.192 1.00 1.00 H new ATOM 0 HB2 ALA A 77 -7.037 -5.306 1.289 1.00 1.00 H new ATOM 0 HB3 ALA A 77 -8.199 -4.068 0.754 1.00 1.00 H new ATOM 1048 N ARG A 78 -6.502 -2.411 -2.075 1.00 1.00 N ATOM 1049 CA ARG A 78 -7.110 -1.599 -3.091 1.00 1.00 C ATOM 1050 C ARG A 78 -6.347 -1.637 -4.338 1.00 1.00 C ATOM 1051 O ARG A 78 -5.288 -2.224 -4.384 1.00 1.00 O ATOM 1052 CB ARG A 78 -7.180 -0.258 -2.553 1.00 1.00 C ATOM 1053 CG ARG A 78 -8.007 -0.316 -1.227 1.00 1.00 C ATOM 1054 CD ARG A 78 -8.428 1.024 -0.878 1.00 1.00 C ATOM 1055 NE ARG A 78 -9.396 1.533 -1.886 1.00 1.00 N ATOM 1056 CZ ARG A 78 -10.665 1.901 -1.556 1.00 1.00 C ATOM 1057 NH1 ARG A 78 -11.081 1.841 -0.314 1.00 1.00 N ATOM 1058 NH2 ARG A 78 -11.477 2.324 -2.484 1.00 1.00 N ATOM 0 H ARG A 78 -5.579 -2.090 -1.782 1.00 1.00 H new ATOM 0 HA ARG A 78 -8.103 -1.971 -3.342 1.00 1.00 H new ATOM 0 HB2 ARG A 78 -6.179 0.129 -2.362 1.00 1.00 H new ATOM 0 HB3 ARG A 78 -7.652 0.416 -3.268 1.00 1.00 H new ATOM 0 HG2 ARG A 78 -8.875 -0.963 -1.352 1.00 1.00 H new ATOM 0 HG3 ARG A 78 -7.404 -0.743 -0.425 1.00 1.00 H new ATOM 0 HD2 ARG A 78 -8.887 1.024 0.111 1.00 1.00 H new ATOM 0 HD3 ARG A 78 -7.562 1.684 -0.828 1.00 1.00 H new ATOM 0 HE ARG A 78 -9.099 1.609 -2.859 1.00 1.00 H new ATOM 0 HH11 ARG A 78 -10.451 1.516 0.420 1.00 1.00 H new ATOM 0 HH12 ARG A 78 -12.034 2.120 -0.081 1.00 1.00 H new ATOM 0 HH21 ARG A 78 -11.161 2.378 -3.452 1.00 1.00 H new ATOM 0 HH22 ARG A 78 -12.428 2.601 -2.242 1.00 1.00 H new ATOM 1072 N THR A 79 -6.874 -1.003 -5.450 1.00 1.00 N ATOM 1073 CA THR A 79 -6.177 -1.046 -6.629 1.00 1.00 C ATOM 1074 C THR A 79 -6.473 0.073 -7.460 1.00 1.00 C ATOM 1075 O THR A 79 -7.069 -0.072 -8.426 1.00 1.00 O ATOM 1076 CB THR A 79 -6.413 -2.361 -7.314 1.00 1.00 C ATOM 1077 OG1 THR A 79 -6.438 -3.398 -6.345 1.00 1.00 O ATOM 1078 CG2 THR A 79 -5.292 -2.611 -8.292 1.00 1.00 C ATOM 0 H THR A 79 -7.757 -0.493 -5.476 1.00 1.00 H new ATOM 0 HA THR A 79 -5.112 -0.974 -6.411 1.00 1.00 H new ATOM 0 HB THR A 79 -7.366 -2.339 -7.843 1.00 1.00 H new ATOM 0 HG1 THR A 79 -5.731 -3.245 -5.684 1.00 1.00 H new ATOM 0 HG21 THR A 79 -5.454 -3.564 -8.795 1.00 1.00 H new ATOM 0 HG22 THR A 79 -5.268 -1.810 -9.031 1.00 1.00 H new ATOM 0 HG23 THR A 79 -4.342 -2.640 -7.758 1.00 1.00 H new ATOM 1086 N CYS A 80 -5.885 1.284 -7.017 1.00 1.00 N ATOM 1087 CA CYS A 80 -5.936 2.557 -7.742 1.00 1.00 C ATOM 1088 C CYS A 80 -6.612 2.577 -8.988 1.00 1.00 C ATOM 1089 O CYS A 80 -6.176 3.228 -9.946 1.00 1.00 O ATOM 1090 CB CYS A 80 -4.482 3.105 -7.900 1.00 1.00 C ATOM 1091 SG CYS A 80 -4.295 4.741 -6.676 1.00 1.00 S ATOM 0 H CYS A 80 -5.372 1.350 -6.138 1.00 1.00 H new ATOM 0 HA CYS A 80 -6.561 3.200 -7.122 1.00 1.00 H new ATOM 0 HB2 CYS A 80 -3.754 2.340 -7.630 1.00 1.00 H new ATOM 0 HB3 CYS A 80 -4.287 3.379 -8.937 1.00 1.00 H new ATOM 1136 N PHE A 85 -3.566 0.766 -5.526 1.00 1.00 N ATOM 1137 CA PHE A 85 -3.594 1.694 -4.615 1.00 1.00 C ATOM 1138 C PHE A 85 -5.044 2.052 -4.437 1.00 1.00 C ATOM 1139 O PHE A 85 -5.614 1.569 -3.571 1.00 1.00 O ATOM 1140 CB PHE A 85 -2.634 2.779 -5.021 1.00 1.00 C ATOM 1141 CG PHE A 85 -1.170 2.353 -4.675 1.00 1.00 C ATOM 1142 CD1 PHE A 85 -0.455 1.512 -5.551 1.00 1.00 C ATOM 1143 CD2 PHE A 85 -0.564 2.805 -3.510 1.00 1.00 C ATOM 1144 CE1 PHE A 85 0.848 1.132 -5.244 1.00 1.00 C ATOM 1145 CE2 PHE A 85 0.744 2.423 -3.206 1.00 1.00 C ATOM 1146 CZ PHE A 85 1.448 1.586 -4.071 1.00 1.00 C ATOM 0 HA PHE A 85 -3.240 1.408 -3.624 1.00 1.00 H new ATOM 0 HB2 PHE A 85 -2.722 2.973 -6.090 1.00 1.00 H new ATOM 0 HB3 PHE A 85 -2.883 3.707 -4.507 1.00 1.00 H new ATOM 0 HD1 PHE A 85 -0.919 1.162 -6.461 1.00 1.00 H new ATOM 0 HD2 PHE A 85 -1.106 3.454 -2.838 1.00 1.00 H new ATOM 0 HE1 PHE A 85 1.394 0.485 -5.915 1.00 1.00 H new ATOM 0 HE2 PHE A 85 1.212 2.777 -2.299 1.00 1.00 H new ATOM 0 HZ PHE A 85 2.459 1.289 -3.832 1.00 1.00 H new ATOM 1156 N CYS A 86 -5.633 2.945 -5.206 1.00 1.00 N ATOM 1157 CA CYS A 86 -7.165 3.346 -4.916 1.00 1.00 C ATOM 1158 C CYS A 86 -8.294 2.972 -5.875 1.00 1.00 C ATOM 1159 O CYS A 86 -8.389 3.397 -7.029 1.00 1.00 O ATOM 1160 CB CYS A 86 -7.242 4.754 -4.689 1.00 1.00 C ATOM 1161 SG CYS A 86 -6.305 5.641 -6.236 1.00 1.00 S ATOM 0 H CYS A 86 -5.195 3.422 -5.994 1.00 1.00 H new ATOM 0 HA CYS A 86 -7.374 2.700 -4.063 1.00 1.00 H new ATOM 0 HB2 CYS A 86 -8.280 5.080 -4.627 1.00 1.00 H new ATOM 0 HB3 CYS A 86 -6.767 5.020 -3.745 1.00 1.00 H new ATOM 1166 N GLN A 87 -9.245 2.115 -5.247 1.00 1.00 N ATOM 1167 CA GLN A 87 -10.406 1.630 -5.905 1.00 1.00 C ATOM 1168 C GLN A 87 -11.010 0.390 -5.204 1.00 1.00 C ATOM 1169 O GLN A 87 -12.230 0.218 -5.156 1.00 1.00 O ATOM 1170 CB GLN A 87 -10.003 1.296 -7.337 1.00 1.00 C ATOM 1171 CG GLN A 87 -10.674 0.000 -7.854 1.00 1.00 C ATOM 1172 CD GLN A 87 -10.007 -1.240 -7.237 1.00 1.00 C ATOM 1173 OE1 GLN A 87 -8.923 -1.139 -6.692 1.00 1.00 O ATOM 1174 NE2 GLN A 87 -10.611 -2.397 -7.287 1.00 1.00 N ATOM 0 H GLN A 87 -9.155 1.793 -4.283 1.00 1.00 H new ATOM 0 HA GLN A 87 -11.184 2.393 -5.879 1.00 1.00 H new ATOM 0 HB2 GLN A 87 -10.272 2.126 -7.990 1.00 1.00 H new ATOM 0 HB3 GLN A 87 -8.920 1.187 -7.390 1.00 1.00 H new ATOM 0 HG2 GLN A 87 -11.735 0.010 -7.606 1.00 1.00 H new ATOM 0 HG3 GLN A 87 -10.601 -0.045 -8.941 1.00 1.00 H new ATOM 0 HE21 GLN A 87 -11.519 -2.479 -7.744 1.00 1.00 H new ATOM 0 HE22 GLN A 87 -10.175 -3.219 -6.869 1.00 1.00 H new ATOM 1183 N GLY A 88 -10.160 -0.458 -4.748 1.00 1.00 N ATOM 1184 CA GLY A 88 -10.596 -1.699 -4.131 1.00 1.00 C ATOM 1185 C GLY A 88 -11.385 -1.503 -2.888 1.00 1.00 C ATOM 1186 O GLY A 88 -12.418 -0.834 -2.890 1.00 1.00 O ATOM 0 H GLY A 88 -9.148 -0.332 -4.782 1.00 1.00 H new ATOM 0 HA2 GLY A 88 -11.197 -2.259 -4.848 1.00 1.00 H new ATOM 0 HA3 GLY A 88 -9.721 -2.308 -3.903 1.00 1.00 H new ATOM 1190 N THR A 89 -10.966 -2.205 -1.824 1.00 1.00 N ATOM 1191 CA THR A 89 -11.705 -2.223 -0.585 1.00 1.00 C ATOM 1192 C THR A 89 -10.912 -1.913 0.695 1.00 1.00 C ATOM 1193 O THR A 89 -11.270 -0.998 1.434 1.00 1.00 O ATOM 1194 CB THR A 89 -12.337 -3.690 -0.512 1.00 1.00 C ATOM 1195 OG1 THR A 89 -13.664 -3.634 -1.016 1.00 1.00 O ATOM 1196 CG2 THR A 89 -12.375 -4.244 0.939 1.00 1.00 C ATOM 0 H THR A 89 -10.114 -2.765 -1.813 1.00 1.00 H new ATOM 0 HA THR A 89 -12.434 -1.413 -0.607 1.00 1.00 H new ATOM 0 HB THR A 89 -11.711 -4.357 -1.105 1.00 1.00 H new ATOM 0 HG1 THR A 89 -14.066 -4.527 -0.980 1.00 1.00 H new ATOM 0 HG21 THR A 89 -12.813 -5.242 0.936 1.00 1.00 H new ATOM 0 HG22 THR A 89 -11.361 -4.293 1.336 1.00 1.00 H new ATOM 0 HG23 THR A 89 -12.978 -3.586 1.564 1.00 1.00 H new ATOM 1204 N ALA A 90 -10.010 -2.760 1.010 1.00 1.00 N ATOM 1205 CA ALA A 90 -9.325 -2.711 2.277 1.00 1.00 C ATOM 1206 C ALA A 90 -10.145 -3.653 3.184 1.00 1.00 C ATOM 1207 O ALA A 90 -11.326 -3.471 3.429 1.00 1.00 O ATOM 1208 CB ALA A 90 -9.197 -1.336 2.902 1.00 1.00 C ATOM 0 H ALA A 90 -9.710 -3.522 0.401 1.00 1.00 H new ATOM 0 HA ALA A 90 -8.285 -3.007 2.141 1.00 1.00 H new ATOM 0 HB1 ALA A 90 -8.666 -1.416 3.851 1.00 1.00 H new ATOM 0 HB2 ALA A 90 -8.643 -0.681 2.230 1.00 1.00 H new ATOM 0 HB3 ALA A 90 -10.190 -0.921 3.076 1.00 1.00 H new ATOM 1214 N GLY A 91 -9.454 -4.569 3.668 1.00 1.00 N ATOM 1215 CA GLY A 91 -10.030 -5.658 4.684 1.00 1.00 C ATOM 1216 C GLY A 91 -8.870 -6.446 5.732 1.00 1.00 C ATOM 1217 O GLY A 91 -9.264 -7.024 6.724 1.00 1.00 O ATOM 0 H GLY A 91 -8.465 -4.694 3.452 1.00 1.00 H new ATOM 0 HA2 GLY A 91 -10.781 -5.176 5.310 1.00 1.00 H new ATOM 0 HA3 GLY A 91 -10.542 -6.426 4.105 1.00 1.00 H new ATOM 1221 N HIS A 92 -7.504 -6.335 5.435 1.00 1.00 N ATOM 1222 CA HIS A 92 -6.318 -6.927 6.352 1.00 1.00 C ATOM 1223 C HIS A 92 -6.308 -8.447 6.558 1.00 1.00 C ATOM 1224 O HIS A 92 -7.316 -8.977 7.027 1.00 1.00 O ATOM 1225 CB HIS A 92 -6.434 -6.294 7.833 1.00 1.00 C ATOM 1226 CG HIS A 92 -7.367 -7.082 8.758 1.00 1.00 C ATOM 1227 ND1 HIS A 92 -8.678 -6.700 8.988 1.00 1.00 N ATOM 1228 CD2 HIS A 92 -7.168 -8.194 9.507 1.00 1.00 C ATOM 1229 CE1 HIS A 92 -9.209 -7.581 9.847 1.00 1.00 C ATOM 1230 NE2 HIS A 92 -8.330 -8.513 10.197 1.00 1.00 N ATOM 0 H HIS A 92 -7.163 -5.861 4.599 1.00 1.00 H new ATOM 0 HA HIS A 92 -5.412 -6.665 5.806 1.00 1.00 H new ATOM 0 HB2 HIS A 92 -5.441 -6.251 8.281 1.00 1.00 H new ATOM 0 HB3 HIS A 92 -6.793 -5.268 7.755 1.00 1.00 H new ATOM 0 HD1 HIS A 92 -9.153 -5.895 8.579 1.00 1.00 H new ATOM 0 HD2 HIS A 92 -6.243 -8.749 9.559 1.00 1.00 H new ATOM 0 HE1 HIS A 92 -10.225 -7.538 10.210 1.00 1.00 H new ATOM 1239 N ALA A 93 -5.245 -9.180 6.255 1.00 1.00 N ATOM 1240 CA ALA A 93 -5.316 -10.723 6.532 1.00 1.00 C ATOM 1241 C ALA A 93 -4.769 -11.011 7.933 1.00 1.00 C ATOM 1242 O ALA A 93 -3.586 -11.303 8.101 1.00 1.00 O ATOM 1243 CB ALA A 93 -4.478 -11.592 5.480 1.00 1.00 C ATOM 0 H ALA A 93 -4.374 -8.833 5.854 1.00 1.00 H new ATOM 0 HA ALA A 93 -6.364 -11.009 6.440 1.00 1.00 H new ATOM 0 HB1 ALA A 93 -4.569 -12.650 5.728 1.00 1.00 H new ATOM 0 HB2 ALA A 93 -4.865 -11.420 4.476 1.00 1.00 H new ATOM 0 HB3 ALA A 93 -3.429 -11.299 5.520 1.00 1.00 H new ATOM 1249 N ALA A 94 -5.640 -10.919 8.927 1.00 1.00 N ATOM 1250 CA ALA A 94 -5.236 -11.163 10.318 1.00 1.00 C ATOM 1251 C ALA A 94 -4.500 -12.504 10.434 1.00 1.00 C ATOM 1252 O ALA A 94 -5.169 -13.513 10.593 1.00 1.00 O ATOM 1253 CB ALA A 94 -6.496 -11.176 11.247 1.00 1.00 C ATOM 0 H ALA A 94 -6.624 -10.680 8.806 1.00 1.00 H new ATOM 0 HA ALA A 94 -4.565 -10.362 10.629 1.00 1.00 H new ATOM 0 HB1 ALA A 94 -6.187 -11.358 12.276 1.00 1.00 H new ATOM 0 HB2 ALA A 94 -7.004 -10.214 11.185 1.00 1.00 H new ATOM 0 HB3 ALA A 94 -7.176 -11.966 10.927 1.00 1.00 H new