USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 527 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 23 LYS NZ :NH3+ 141:sc= 2.06 (180deg=0.806) USER MOD Set 1.2: A 48 GLN : amide:sc= 0.0565 K(o=2.1,f=-6.3!) USER MOD Set 2.1: A 6 SER OG : rot 170:sc= 0.62 USER MOD Set 2.2: A 10 SER OG : rot 180:sc= 0.109 USER MOD Single : A 7 LYS NZ :NH3+ -170:sc= -0.0202 (180deg=-0.174) USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.183 USER MOD Single : A 12 ASN : amide:sc= -2.36! C(o=-2.4!,f=-3.7!) USER MOD Single : A 13 THR OG1 : rot 179:sc= 0.986 USER MOD Single : A 15 LYS NZ :NH3+ 157:sc= 1.24 (180deg=1.02) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 24 LYS NZ :NH3+ -158:sc= -0.087 (180deg=-0.531) USER MOD Single : A 26 GLN : amide:sc= -1.23 K(o=-1.2,f=-6!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 40:sc= 0.141 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.195 K(o=-0.19,f=-0.71) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.114 K(o=-0.11,f=-3.2) USER MOD Single : A 65 LYS NZ :NH3+ 169:sc= -0.0246 (180deg=-0.179) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot -43:sc= 0.165 USER MOD Single : A 83 ASN : amide:sc= 1.04 K(o=1,f=-6!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 28 N TRP A 4 6.739 -6.510 -4.434 1.00 0.81 N ATOM 29 CA TRP A 4 7.561 -6.034 -3.333 1.00 0.60 C ATOM 30 C TRP A 4 8.018 -7.171 -2.430 1.00 0.62 C ATOM 31 O TRP A 4 7.483 -8.281 -2.477 1.00 0.74 O ATOM 32 CB TRP A 4 6.802 -4.989 -2.520 1.00 0.45 C ATOM 33 CG TRP A 4 6.742 -3.652 -3.187 1.00 0.38 C ATOM 34 CD1 TRP A 4 5.626 -2.973 -3.578 1.00 0.42 C ATOM 35 CD2 TRP A 4 7.858 -2.835 -3.550 1.00 0.36 C ATOM 36 NE1 TRP A 4 5.981 -1.770 -4.141 1.00 0.40 N ATOM 37 CE2 TRP A 4 7.347 -1.669 -4.142 1.00 0.37 C ATOM 38 CE3 TRP A 4 9.243 -2.977 -3.425 1.00 0.43 C ATOM 39 CZ2 TRP A 4 8.170 -0.650 -4.608 1.00 0.45 C ATOM 40 CZ3 TRP A 4 10.057 -1.966 -3.891 1.00 0.52 C ATOM 41 CH2 TRP A 4 9.519 -0.816 -4.474 1.00 0.52 C ATOM 0 HA TRP A 4 8.452 -5.578 -3.764 1.00 0.60 H new ATOM 0 HB2 TRP A 4 5.787 -5.344 -2.341 1.00 0.45 H new ATOM 0 HB3 TRP A 4 7.278 -4.880 -1.545 1.00 0.45 H new ATOM 0 HD1 TRP A 4 4.613 -3.328 -3.462 1.00 0.42 H new ATOM 0 HE1 TRP A 4 5.333 -1.068 -4.499 1.00 0.40 H new ATOM 0 HE3 TRP A 4 9.667 -3.861 -2.972 1.00 0.43 H new ATOM 0 HZ2 TRP A 4 7.758 0.240 -5.059 1.00 0.45 H new ATOM 0 HZ3 TRP A 4 11.129 -2.065 -3.804 1.00 0.52 H new ATOM 0 HH2 TRP A 4 10.184 -0.042 -4.826 1.00 0.52 H new ATOM 52 N GLU A 5 9.016 -6.871 -1.608 1.00 0.66 N ATOM 53 CA GLU A 5 9.613 -7.854 -0.720 1.00 0.73 C ATOM 54 C GLU A 5 8.795 -8.010 0.553 1.00 0.67 C ATOM 55 O GLU A 5 8.769 -7.122 1.402 1.00 0.78 O ATOM 56 CB GLU A 5 11.044 -7.439 -0.371 1.00 0.96 C ATOM 57 CG GLU A 5 11.966 -7.375 -1.576 1.00 1.49 C ATOM 58 CD GLU A 5 12.078 -8.708 -2.289 1.00 2.14 C ATOM 59 OE1 GLU A 5 12.714 -9.630 -1.739 1.00 2.65 O ATOM 60 OE2 GLU A 5 11.535 -8.839 -3.402 1.00 2.73 O ATOM 0 H GLU A 5 9.431 -5.942 -1.540 1.00 0.66 H new ATOM 0 HA GLU A 5 9.628 -8.814 -1.236 1.00 0.73 H new ATOM 0 HB2 GLU A 5 11.023 -6.463 0.113 1.00 0.96 H new ATOM 0 HB3 GLU A 5 11.453 -8.145 0.352 1.00 0.96 H new ATOM 0 HG2 GLU A 5 11.597 -6.623 -2.273 1.00 1.49 H new ATOM 0 HG3 GLU A 5 12.957 -7.053 -1.255 1.00 1.49 H new ATOM 67 N SER A 6 8.138 -9.148 0.676 1.00 0.74 N ATOM 68 CA SER A 6 7.343 -9.455 1.851 1.00 0.87 C ATOM 69 C SER A 6 8.080 -10.486 2.705 1.00 0.88 C ATOM 70 O SER A 6 7.468 -11.293 3.402 1.00 0.90 O ATOM 71 CB SER A 6 5.959 -9.968 1.436 1.00 1.16 C ATOM 72 OG SER A 6 5.072 -10.033 2.544 1.00 1.75 O ATOM 0 H SER A 6 8.140 -9.883 -0.032 1.00 0.74 H new ATOM 0 HA SER A 6 7.199 -8.551 2.442 1.00 0.87 H new ATOM 0 HB2 SER A 6 5.541 -9.312 0.672 1.00 1.16 H new ATOM 0 HB3 SER A 6 6.056 -10.957 0.988 1.00 1.16 H new ATOM 0 HG SER A 6 4.163 -10.213 2.225 1.00 1.75 H new ATOM 78 N LYS A 7 9.409 -10.458 2.616 1.00 0.95 N ATOM 79 CA LYS A 7 10.272 -11.432 3.288 1.00 1.09 C ATOM 80 C LYS A 7 10.010 -11.517 4.793 1.00 1.03 C ATOM 81 O LYS A 7 10.255 -12.550 5.411 1.00 1.09 O ATOM 82 CB LYS A 7 11.745 -11.097 3.010 1.00 1.37 C ATOM 83 CG LYS A 7 12.168 -9.712 3.472 1.00 1.65 C ATOM 84 CD LYS A 7 12.677 -9.725 4.902 1.00 2.11 C ATOM 85 CE LYS A 7 12.999 -8.322 5.391 1.00 2.79 C ATOM 86 NZ LYS A 7 14.037 -7.665 4.556 1.00 3.24 N ATOM 0 H LYS A 7 9.919 -9.759 2.076 1.00 0.95 H new ATOM 0 HA LYS A 7 10.036 -12.415 2.880 1.00 1.09 H new ATOM 0 HB2 LYS A 7 12.374 -11.839 3.502 1.00 1.37 H new ATOM 0 HB3 LYS A 7 11.929 -11.182 1.939 1.00 1.37 H new ATOM 0 HG2 LYS A 7 12.948 -9.331 2.812 1.00 1.65 H new ATOM 0 HG3 LYS A 7 11.322 -9.029 3.394 1.00 1.65 H new ATOM 0 HD2 LYS A 7 11.927 -10.175 5.552 1.00 2.11 H new ATOM 0 HD3 LYS A 7 13.569 -10.348 4.966 1.00 2.11 H new ATOM 0 HE2 LYS A 7 12.092 -7.718 5.383 1.00 2.79 H new ATOM 0 HE3 LYS A 7 13.341 -8.368 6.425 1.00 2.79 H new ATOM 0 HZ1 LYS A 7 14.348 -6.786 5.017 1.00 3.24 H new ATOM 0 HZ2 LYS A 7 14.849 -8.305 4.445 1.00 3.24 H new ATOM 0 HZ3 LYS A 7 13.641 -7.443 3.620 1.00 3.24 H new ATOM 100 N THR A 8 9.507 -10.440 5.379 1.00 1.01 N ATOM 101 CA THR A 8 9.222 -10.423 6.805 1.00 1.08 C ATOM 102 C THR A 8 7.912 -11.161 7.113 1.00 0.93 C ATOM 103 O THR A 8 7.636 -11.519 8.260 1.00 1.03 O ATOM 104 CB THR A 8 9.129 -8.970 7.330 1.00 1.25 C ATOM 105 OG1 THR A 8 10.294 -8.232 6.935 1.00 2.05 O ATOM 106 CG2 THR A 8 9.000 -8.929 8.847 1.00 1.66 C ATOM 0 H THR A 8 9.289 -9.571 4.891 1.00 1.01 H new ATOM 0 HA THR A 8 10.043 -10.933 7.309 1.00 1.08 H new ATOM 0 HB THR A 8 8.236 -8.519 6.897 1.00 1.25 H new ATOM 0 HG1 THR A 8 10.228 -7.313 7.269 1.00 2.05 H new ATOM 0 HG21 THR A 8 8.937 -7.893 9.179 1.00 1.66 H new ATOM 0 HG22 THR A 8 8.099 -9.462 9.150 1.00 1.66 H new ATOM 0 HG23 THR A 8 9.871 -9.403 9.299 1.00 1.66 H new ATOM 114 N GLY A 9 7.127 -11.424 6.071 1.00 0.79 N ATOM 115 CA GLY A 9 5.769 -11.894 6.269 1.00 0.79 C ATOM 116 C GLY A 9 4.861 -10.713 6.509 1.00 0.69 C ATOM 117 O GLY A 9 3.735 -10.845 6.984 1.00 0.88 O ATOM 0 H GLY A 9 7.408 -11.320 5.096 1.00 0.79 H new ATOM 0 HA2 GLY A 9 5.434 -12.452 5.395 1.00 0.79 H new ATOM 0 HA3 GLY A 9 5.729 -12.577 7.118 1.00 0.79 H new ATOM 121 N SER A 10 5.386 -9.553 6.153 1.00 0.61 N ATOM 122 CA SER A 10 4.803 -8.274 6.496 1.00 0.73 C ATOM 123 C SER A 10 3.501 -8.002 5.755 1.00 0.64 C ATOM 124 O SER A 10 2.616 -7.322 6.273 1.00 0.73 O ATOM 125 CB SER A 10 5.833 -7.196 6.178 1.00 0.96 C ATOM 126 OG SER A 10 6.562 -7.541 5.008 1.00 1.72 O ATOM 0 H SER A 10 6.245 -9.476 5.608 1.00 0.61 H new ATOM 0 HA SER A 10 4.549 -8.276 7.556 1.00 0.73 H new ATOM 0 HB2 SER A 10 5.334 -6.238 6.035 1.00 0.96 H new ATOM 0 HB3 SER A 10 6.516 -7.077 7.019 1.00 0.96 H new ATOM 0 HG SER A 10 7.219 -6.840 4.813 1.00 1.72 H new ATOM 132 N CYS A 11 3.381 -8.528 4.553 1.00 0.52 N ATOM 133 CA CYS A 11 2.209 -8.252 3.740 1.00 0.44 C ATOM 134 C CYS A 11 1.544 -9.540 3.275 1.00 0.41 C ATOM 135 O CYS A 11 2.216 -10.526 2.981 1.00 0.43 O ATOM 136 CB CYS A 11 2.611 -7.400 2.539 1.00 0.41 C ATOM 137 SG CYS A 11 1.206 -6.620 1.688 1.00 1.19 S ATOM 0 H CYS A 11 4.070 -9.142 4.119 1.00 0.52 H new ATOM 0 HA CYS A 11 1.487 -7.707 4.348 1.00 0.44 H new ATOM 0 HB2 CYS A 11 3.299 -6.623 2.871 1.00 0.41 H new ATOM 0 HB3 CYS A 11 3.153 -8.024 1.828 1.00 0.41 H new ATOM 142 N ASN A 12 0.217 -9.524 3.222 1.00 0.46 N ATOM 143 CA ASN A 12 -0.547 -10.687 2.784 1.00 0.53 C ATOM 144 C ASN A 12 -0.823 -10.640 1.283 1.00 0.47 C ATOM 145 O ASN A 12 -0.948 -11.681 0.637 1.00 0.57 O ATOM 146 CB ASN A 12 -1.867 -10.805 3.564 1.00 0.69 C ATOM 147 CG ASN A 12 -2.817 -9.642 3.332 1.00 0.90 C ATOM 148 OD1 ASN A 12 -3.665 -9.686 2.444 1.00 1.66 O ATOM 149 ND2 ASN A 12 -2.689 -8.600 4.136 1.00 1.03 N ATOM 0 H ASN A 12 -0.353 -8.718 3.477 1.00 0.46 H new ATOM 0 HA ASN A 12 0.059 -11.570 2.990 1.00 0.53 H new ATOM 0 HB2 ASN A 12 -2.365 -11.732 3.281 1.00 0.69 H new ATOM 0 HB3 ASN A 12 -1.645 -10.875 4.629 1.00 0.69 H new ATOM 0 HD21 ASN A 12 -3.307 -7.795 4.030 1.00 1.03 H new ATOM 0 HD22 ASN A 12 -1.972 -8.601 4.862 1.00 1.03 H new ATOM 156 N THR A 13 -0.914 -9.438 0.730 1.00 0.38 N ATOM 157 CA THR A 13 -1.256 -9.271 -0.677 1.00 0.37 C ATOM 158 C THR A 13 -0.019 -9.075 -1.545 1.00 0.35 C ATOM 159 O THR A 13 0.007 -9.470 -2.709 1.00 0.44 O ATOM 160 CB THR A 13 -2.177 -8.055 -0.865 1.00 0.41 C ATOM 161 OG1 THR A 13 -1.614 -6.928 -0.181 1.00 0.43 O ATOM 162 CG2 THR A 13 -3.574 -8.341 -0.337 1.00 0.52 C ATOM 0 H THR A 13 -0.756 -8.565 1.233 1.00 0.38 H new ATOM 0 HA THR A 13 -1.763 -10.185 -0.987 1.00 0.37 H new ATOM 0 HB THR A 13 -2.259 -7.838 -1.930 1.00 0.41 H new ATOM 0 HG1 THR A 13 -2.192 -6.147 -0.307 1.00 0.43 H new ATOM 0 HG21 THR A 13 -4.205 -7.464 -0.483 1.00 0.52 H new ATOM 0 HG22 THR A 13 -4.000 -9.188 -0.875 1.00 0.52 H new ATOM 0 HG23 THR A 13 -3.520 -8.577 0.726 1.00 0.52 H new ATOM 170 N GLY A 14 1.005 -8.467 -0.967 1.00 0.29 N ATOM 171 CA GLY A 14 2.193 -8.133 -1.724 1.00 0.31 C ATOM 172 C GLY A 14 2.173 -6.691 -2.184 1.00 0.30 C ATOM 173 O GLY A 14 3.079 -6.235 -2.886 1.00 0.43 O ATOM 0 H GLY A 14 1.035 -8.198 0.016 1.00 0.29 H new ATOM 0 HA2 GLY A 14 3.077 -8.308 -1.111 1.00 0.31 H new ATOM 0 HA3 GLY A 14 2.270 -8.791 -2.590 1.00 0.31 H new ATOM 177 N LYS A 15 1.132 -5.970 -1.784 1.00 0.24 N ATOM 178 CA LYS A 15 1.000 -4.560 -2.117 1.00 0.25 C ATOM 179 C LYS A 15 1.633 -3.697 -1.032 1.00 0.24 C ATOM 180 O LYS A 15 0.966 -3.292 -0.082 1.00 0.25 O ATOM 181 CB LYS A 15 -0.477 -4.181 -2.267 1.00 0.31 C ATOM 182 CG LYS A 15 -1.149 -4.712 -3.523 1.00 0.41 C ATOM 183 CD LYS A 15 -2.659 -4.517 -3.450 1.00 0.57 C ATOM 184 CE LYS A 15 -3.316 -4.552 -4.821 1.00 0.69 C ATOM 185 NZ LYS A 15 -2.978 -5.778 -5.587 1.00 1.64 N ATOM 0 H LYS A 15 0.364 -6.343 -1.226 1.00 0.24 H new ATOM 0 HA LYS A 15 1.514 -4.385 -3.062 1.00 0.25 H new ATOM 0 HB2 LYS A 15 -1.022 -4.549 -1.398 1.00 0.31 H new ATOM 0 HB3 LYS A 15 -0.561 -3.094 -2.259 1.00 0.31 H new ATOM 0 HG2 LYS A 15 -0.753 -4.198 -4.399 1.00 0.41 H new ATOM 0 HG3 LYS A 15 -0.920 -5.771 -3.644 1.00 0.41 H new ATOM 0 HD2 LYS A 15 -3.093 -5.295 -2.822 1.00 0.57 H new ATOM 0 HD3 LYS A 15 -2.876 -3.563 -2.970 1.00 0.57 H new ATOM 0 HE2 LYS A 15 -4.398 -4.489 -4.703 1.00 0.69 H new ATOM 0 HE3 LYS A 15 -3.006 -3.676 -5.390 1.00 0.69 H new ATOM 0 HZ1 LYS A 15 -3.712 -5.953 -6.303 1.00 1.64 H new ATOM 0 HZ2 LYS A 15 -2.059 -5.651 -6.057 1.00 1.64 H new ATOM 0 HZ3 LYS A 15 -2.926 -6.589 -4.938 1.00 1.64 H new ATOM 199 N LEU A 16 2.920 -3.432 -1.168 1.00 0.26 N ATOM 200 CA LEU A 16 3.617 -2.569 -0.237 1.00 0.30 C ATOM 201 C LEU A 16 3.677 -1.150 -0.784 1.00 0.33 C ATOM 202 O LEU A 16 4.183 -0.919 -1.880 1.00 0.55 O ATOM 203 CB LEU A 16 5.031 -3.097 0.036 1.00 0.35 C ATOM 204 CG LEU A 16 5.110 -4.311 0.966 1.00 0.34 C ATOM 205 CD1 LEU A 16 4.473 -5.526 0.328 1.00 0.29 C ATOM 206 CD2 LEU A 16 6.552 -4.605 1.343 1.00 0.43 C ATOM 0 H LEU A 16 3.503 -3.804 -1.917 1.00 0.26 H new ATOM 0 HA LEU A 16 3.069 -2.560 0.705 1.00 0.30 H new ATOM 0 HB2 LEU A 16 5.493 -3.359 -0.916 1.00 0.35 H new ATOM 0 HB3 LEU A 16 5.625 -2.291 0.467 1.00 0.35 H new ATOM 0 HG LEU A 16 4.556 -4.074 1.874 1.00 0.34 H new ATOM 0 HD11 LEU A 16 4.543 -6.374 1.010 1.00 0.29 H new ATOM 0 HD12 LEU A 16 3.425 -5.317 0.115 1.00 0.29 H new ATOM 0 HD13 LEU A 16 4.992 -5.763 -0.601 1.00 0.29 H new ATOM 0 HD21 LEU A 16 6.586 -5.471 2.004 1.00 0.43 H new ATOM 0 HD22 LEU A 16 7.128 -4.814 0.442 1.00 0.43 H new ATOM 0 HD23 LEU A 16 6.978 -3.742 1.854 1.00 0.43 H new ATOM 218 N ALA A 17 3.146 -0.206 -0.033 1.00 0.27 N ATOM 219 CA ALA A 17 3.125 1.181 -0.463 1.00 0.27 C ATOM 220 C ALA A 17 3.631 2.092 0.645 1.00 0.24 C ATOM 221 O ALA A 17 3.440 1.809 1.830 1.00 0.28 O ATOM 222 CB ALA A 17 1.716 1.579 -0.886 1.00 0.29 C ATOM 0 H ALA A 17 2.722 -0.373 0.880 1.00 0.27 H new ATOM 0 HA ALA A 17 3.788 1.290 -1.321 1.00 0.27 H new ATOM 0 HB1 ALA A 17 1.713 2.621 -1.206 1.00 0.29 H new ATOM 0 HB2 ALA A 17 1.391 0.945 -1.711 1.00 0.29 H new ATOM 0 HB3 ALA A 17 1.035 1.456 -0.044 1.00 0.29 H new ATOM 228 N CYS A 18 4.305 3.164 0.258 1.00 0.26 N ATOM 229 CA CYS A 18 4.774 4.158 1.219 1.00 0.26 C ATOM 230 C CYS A 18 3.668 5.164 1.505 1.00 0.24 C ATOM 231 O CYS A 18 3.477 6.120 0.753 1.00 0.32 O ATOM 232 CB CYS A 18 5.994 4.883 0.669 1.00 0.36 C ATOM 233 SG CYS A 18 7.311 3.781 0.082 1.00 0.74 S ATOM 0 H CYS A 18 4.541 3.370 -0.713 1.00 0.26 H new ATOM 0 HA CYS A 18 5.048 3.650 2.144 1.00 0.26 H new ATOM 0 HB2 CYS A 18 5.681 5.526 -0.153 1.00 0.36 H new ATOM 0 HB3 CYS A 18 6.398 5.532 1.446 1.00 0.36 H new ATOM 238 N CYS A 19 2.963 4.966 2.604 1.00 0.21 N ATOM 239 CA CYS A 19 1.739 5.711 2.857 1.00 0.21 C ATOM 240 C CYS A 19 1.865 6.585 4.098 1.00 0.23 C ATOM 241 O CYS A 19 2.709 6.335 4.962 1.00 0.30 O ATOM 242 CB CYS A 19 0.566 4.744 3.030 1.00 0.23 C ATOM 243 SG CYS A 19 0.273 3.628 1.615 1.00 0.50 S ATOM 0 H CYS A 19 3.214 4.299 3.334 1.00 0.21 H new ATOM 0 HA CYS A 19 1.560 6.360 1.999 1.00 0.21 H new ATOM 0 HB2 CYS A 19 0.741 4.140 3.920 1.00 0.23 H new ATOM 0 HB3 CYS A 19 -0.340 5.323 3.211 1.00 0.23 H new ATOM 248 N ASP A 20 1.032 7.617 4.175 1.00 0.23 N ATOM 249 CA ASP A 20 0.966 8.464 5.355 1.00 0.28 C ATOM 250 C ASP A 20 -0.264 8.096 6.165 1.00 0.28 C ATOM 251 O ASP A 20 -1.395 8.315 5.730 1.00 0.34 O ATOM 252 CB ASP A 20 0.913 9.947 4.978 1.00 0.37 C ATOM 253 CG ASP A 20 2.147 10.422 4.236 1.00 1.01 C ATOM 254 OD1 ASP A 20 2.022 10.804 3.053 1.00 1.65 O ATOM 255 OD2 ASP A 20 3.248 10.389 4.828 1.00 1.33 O ATOM 0 H ASP A 20 0.391 7.886 3.429 1.00 0.23 H new ATOM 0 HA ASP A 20 1.867 8.302 5.946 1.00 0.28 H new ATOM 0 HB2 ASP A 20 0.034 10.126 4.359 1.00 0.37 H new ATOM 0 HB3 ASP A 20 0.791 10.541 5.884 1.00 0.37 H new ATOM 260 N THR A 21 -0.042 7.546 7.343 1.00 0.31 N ATOM 261 CA THR A 21 -1.118 6.994 8.150 1.00 0.36 C ATOM 262 C THR A 21 -1.967 8.081 8.811 1.00 0.42 C ATOM 263 O THR A 21 -3.078 7.817 9.268 1.00 0.52 O ATOM 264 CB THR A 21 -0.554 6.049 9.225 1.00 0.41 C ATOM 265 OG1 THR A 21 0.414 6.739 10.032 1.00 0.41 O ATOM 266 CG2 THR A 21 0.100 4.834 8.584 1.00 0.43 C ATOM 0 H THR A 21 0.882 7.468 7.767 1.00 0.31 H new ATOM 0 HA THR A 21 -1.765 6.435 7.474 1.00 0.36 H new ATOM 0 HB THR A 21 -1.381 5.717 9.852 1.00 0.41 H new ATOM 0 HG1 THR A 21 0.766 6.129 10.714 1.00 0.41 H new ATOM 0 HG21 THR A 21 0.492 4.179 9.362 1.00 0.43 H new ATOM 0 HG22 THR A 21 -0.638 4.293 7.992 1.00 0.43 H new ATOM 0 HG23 THR A 21 0.916 5.158 7.938 1.00 0.43 H new ATOM 274 N ASN A 22 -1.452 9.305 8.847 1.00 0.43 N ATOM 275 CA ASN A 22 -2.180 10.418 9.440 1.00 0.56 C ATOM 276 C ASN A 22 -2.857 11.218 8.345 1.00 0.50 C ATOM 277 O ASN A 22 -3.551 12.205 8.597 1.00 0.63 O ATOM 278 CB ASN A 22 -1.240 11.313 10.249 1.00 0.70 C ATOM 279 CG ASN A 22 -0.690 10.614 11.479 1.00 1.35 C ATOM 280 OD1 ASN A 22 -1.332 9.731 12.048 1.00 1.87 O ATOM 281 ND2 ASN A 22 0.499 11.010 11.902 1.00 2.20 N ATOM 0 H ASN A 22 -0.535 9.550 8.473 1.00 0.43 H new ATOM 0 HA ASN A 22 -2.936 10.024 10.120 1.00 0.56 H new ATOM 0 HB2 ASN A 22 -0.412 11.632 9.616 1.00 0.70 H new ATOM 0 HB3 ASN A 22 -1.773 12.213 10.554 1.00 0.70 H new ATOM 0 HD21 ASN A 22 0.916 10.580 12.728 1.00 2.20 H new ATOM 0 HD22 ASN A 22 0.999 11.745 11.402 1.00 2.20 H new ATOM 288 N LYS A 23 -2.648 10.763 7.124 1.00 0.40 N ATOM 289 CA LYS A 23 -3.232 11.373 5.951 1.00 0.39 C ATOM 290 C LYS A 23 -4.239 10.427 5.332 1.00 0.32 C ATOM 291 O LYS A 23 -3.880 9.486 4.635 1.00 0.39 O ATOM 292 CB LYS A 23 -2.140 11.701 4.945 1.00 0.47 C ATOM 293 CG LYS A 23 -1.246 12.854 5.363 1.00 0.95 C ATOM 294 CD LYS A 23 -0.066 13.023 4.427 1.00 1.53 C ATOM 295 CE LYS A 23 -0.522 13.264 3.005 1.00 1.84 C ATOM 296 NZ LYS A 23 0.536 12.908 2.018 1.00 2.60 N ATOM 0 H LYS A 23 -2.063 9.953 6.920 1.00 0.40 H new ATOM 0 HA LYS A 23 -3.739 12.294 6.238 1.00 0.39 H new ATOM 0 HB2 LYS A 23 -1.525 10.815 4.789 1.00 0.47 H new ATOM 0 HB3 LYS A 23 -2.602 11.941 3.987 1.00 0.47 H new ATOM 0 HG2 LYS A 23 -1.828 13.775 5.383 1.00 0.95 H new ATOM 0 HG3 LYS A 23 -0.884 12.683 6.377 1.00 0.95 H new ATOM 0 HD2 LYS A 23 0.549 13.859 4.761 1.00 1.53 H new ATOM 0 HD3 LYS A 23 0.561 12.132 4.464 1.00 1.53 H new ATOM 0 HE2 LYS A 23 -1.418 12.676 2.806 1.00 1.84 H new ATOM 0 HE3 LYS A 23 -0.795 14.312 2.883 1.00 1.84 H new ATOM 0 HZ1 LYS A 23 0.100 12.452 1.191 1.00 2.60 H new ATOM 0 HZ2 LYS A 23 1.033 13.770 1.716 1.00 2.60 H new ATOM 0 HZ3 LYS A 23 1.214 12.253 2.457 1.00 2.60 H new ATOM 310 N LYS A 24 -5.496 10.683 5.595 1.00 0.49 N ATOM 311 CA LYS A 24 -6.560 9.794 5.179 1.00 0.49 C ATOM 312 C LYS A 24 -7.195 10.254 3.876 1.00 0.45 C ATOM 313 O LYS A 24 -7.054 11.410 3.468 1.00 0.48 O ATOM 314 CB LYS A 24 -7.636 9.718 6.257 1.00 0.61 C ATOM 315 CG LYS A 24 -7.248 8.924 7.497 1.00 0.91 C ATOM 316 CD LYS A 24 -6.223 9.647 8.357 1.00 1.32 C ATOM 317 CE LYS A 24 -6.036 8.956 9.699 1.00 1.88 C ATOM 318 NZ LYS A 24 -7.288 8.957 10.503 1.00 2.17 N ATOM 0 H LYS A 24 -5.813 11.510 6.101 1.00 0.49 H new ATOM 0 HA LYS A 24 -6.119 8.809 5.023 1.00 0.49 H new ATOM 0 HB2 LYS A 24 -7.898 10.732 6.560 1.00 0.61 H new ATOM 0 HB3 LYS A 24 -8.532 9.273 5.824 1.00 0.61 H new ATOM 0 HG2 LYS A 24 -8.140 8.726 8.091 1.00 0.91 H new ATOM 0 HG3 LYS A 24 -6.846 7.957 7.194 1.00 0.91 H new ATOM 0 HD2 LYS A 24 -5.269 9.688 7.831 1.00 1.32 H new ATOM 0 HD3 LYS A 24 -6.543 10.677 8.518 1.00 1.32 H new ATOM 0 HE2 LYS A 24 -5.710 7.929 9.536 1.00 1.88 H new ATOM 0 HE3 LYS A 24 -5.245 9.456 10.258 1.00 1.88 H new ATOM 0 HZ1 LYS A 24 -7.055 8.832 11.509 1.00 2.17 H new ATOM 0 HZ2 LYS A 24 -7.784 9.862 10.372 1.00 2.17 H new ATOM 0 HZ3 LYS A 24 -7.902 8.178 10.191 1.00 2.17 H new ATOM 332 N VAL A 25 -7.892 9.332 3.240 1.00 0.46 N ATOM 333 CA VAL A 25 -8.677 9.616 2.052 1.00 0.50 C ATOM 334 C VAL A 25 -10.086 9.092 2.282 1.00 0.56 C ATOM 335 O VAL A 25 -10.270 8.039 2.892 1.00 0.57 O ATOM 336 CB VAL A 25 -8.096 8.943 0.789 1.00 0.47 C ATOM 337 CG1 VAL A 25 -8.748 9.489 -0.472 1.00 0.59 C ATOM 338 CG2 VAL A 25 -6.583 9.096 0.722 1.00 0.44 C ATOM 0 H VAL A 25 -7.930 8.356 3.535 1.00 0.46 H new ATOM 0 HA VAL A 25 -8.666 10.693 1.885 1.00 0.50 H new ATOM 0 HB VAL A 25 -8.321 7.878 0.855 1.00 0.47 H new ATOM 0 HG11 VAL A 25 -8.320 8.997 -1.345 1.00 0.59 H new ATOM 0 HG12 VAL A 25 -9.821 9.299 -0.438 1.00 0.59 H new ATOM 0 HG13 VAL A 25 -8.572 10.563 -0.537 1.00 0.59 H new ATOM 0 HG21 VAL A 25 -6.208 8.611 -0.179 1.00 0.44 H new ATOM 0 HG22 VAL A 25 -6.325 10.155 0.698 1.00 0.44 H new ATOM 0 HG23 VAL A 25 -6.131 8.632 1.599 1.00 0.44 H new ATOM 348 N GLN A 26 -11.071 9.819 1.803 1.00 0.66 N ATOM 349 CA GLN A 26 -12.457 9.494 2.070 1.00 0.78 C ATOM 350 C GLN A 26 -13.024 8.577 0.996 1.00 0.75 C ATOM 351 O GLN A 26 -13.990 7.853 1.232 1.00 0.87 O ATOM 352 CB GLN A 26 -13.281 10.775 2.160 1.00 0.97 C ATOM 353 CG GLN A 26 -12.841 11.719 3.273 1.00 1.71 C ATOM 354 CD GLN A 26 -13.082 11.167 4.670 1.00 2.23 C ATOM 355 OE1 GLN A 26 -13.052 9.957 4.898 1.00 2.62 O ATOM 356 NE2 GLN A 26 -13.321 12.058 5.618 1.00 2.83 N ATOM 0 H GLN A 26 -10.937 10.646 1.222 1.00 0.66 H new ATOM 0 HA GLN A 26 -12.508 8.966 3.022 1.00 0.78 H new ATOM 0 HB2 GLN A 26 -13.221 11.301 1.207 1.00 0.97 H new ATOM 0 HB3 GLN A 26 -14.327 10.512 2.314 1.00 0.97 H new ATOM 0 HG2 GLN A 26 -11.779 11.936 3.155 1.00 1.71 H new ATOM 0 HG3 GLN A 26 -13.373 12.664 3.168 1.00 1.71 H new ATOM 0 HE21 GLN A 26 -13.338 13.052 5.391 1.00 2.83 H new ATOM 0 HE22 GLN A 26 -13.488 11.751 6.576 1.00 2.83 H new ATOM 365 N LYS A 27 -12.428 8.610 -0.183 1.00 0.96 N ATOM 366 CA LYS A 27 -12.885 7.779 -1.285 1.00 1.06 C ATOM 367 C LYS A 27 -11.966 6.582 -1.493 1.00 0.94 C ATOM 368 O LYS A 27 -10.774 6.734 -1.757 1.00 1.56 O ATOM 369 CB LYS A 27 -12.985 8.601 -2.573 1.00 1.81 C ATOM 370 CG LYS A 27 -14.125 9.616 -2.575 1.00 2.36 C ATOM 371 CD LYS A 27 -15.497 8.955 -2.536 1.00 2.79 C ATOM 372 CE LYS A 27 -15.678 7.998 -3.695 1.00 3.33 C ATOM 373 NZ LYS A 27 -16.946 7.230 -3.601 1.00 4.07 N ATOM 0 H LYS A 27 -11.627 9.202 -0.403 1.00 0.96 H new ATOM 0 HA LYS A 27 -13.876 7.404 -1.030 1.00 1.06 H new ATOM 0 HB2 LYS A 27 -12.043 9.127 -2.730 1.00 1.81 H new ATOM 0 HB3 LYS A 27 -13.115 7.922 -3.416 1.00 1.81 H new ATOM 0 HG2 LYS A 27 -14.020 10.277 -1.715 1.00 2.36 H new ATOM 0 HG3 LYS A 27 -14.051 10.239 -3.467 1.00 2.36 H new ATOM 0 HD2 LYS A 27 -15.618 8.418 -1.595 1.00 2.79 H new ATOM 0 HD3 LYS A 27 -16.273 9.720 -2.568 1.00 2.79 H new ATOM 0 HE2 LYS A 27 -15.663 8.557 -4.630 1.00 3.33 H new ATOM 0 HE3 LYS A 27 -14.838 7.305 -3.725 1.00 3.33 H new ATOM 0 HZ1 LYS A 27 -17.025 6.589 -4.416 1.00 4.07 H new ATOM 0 HZ2 LYS A 27 -16.951 6.674 -2.722 1.00 4.07 H new ATOM 0 HZ3 LYS A 27 -17.751 7.888 -3.599 1.00 4.07 H new ATOM 387 N SER A 28 -12.535 5.397 -1.364 1.00 0.83 N ATOM 388 CA SER A 28 -11.808 4.159 -1.581 1.00 1.35 C ATOM 389 C SER A 28 -12.553 3.299 -2.594 1.00 1.17 C ATOM 390 O SER A 28 -13.716 2.948 -2.384 1.00 1.46 O ATOM 391 CB SER A 28 -11.644 3.411 -0.254 1.00 2.09 C ATOM 392 OG SER A 28 -12.878 3.316 0.440 1.00 2.46 O ATOM 0 H SER A 28 -13.513 5.266 -1.106 1.00 0.83 H new ATOM 0 HA SER A 28 -10.817 4.384 -1.975 1.00 1.35 H new ATOM 0 HB2 SER A 28 -11.253 2.411 -0.443 1.00 2.09 H new ATOM 0 HB3 SER A 28 -10.913 3.927 0.369 1.00 2.09 H new ATOM 0 HG SER A 28 -13.599 3.133 -0.198 1.00 2.46 H new ATOM 398 N THR A 29 -11.894 2.979 -3.697 1.00 1.02 N ATOM 399 CA THR A 29 -12.525 2.220 -4.759 1.00 1.07 C ATOM 400 C THR A 29 -12.360 0.728 -4.520 1.00 1.17 C ATOM 401 O THR A 29 -13.344 -0.015 -4.470 1.00 2.00 O ATOM 402 CB THR A 29 -11.931 2.585 -6.135 1.00 1.24 C ATOM 403 OG1 THR A 29 -11.879 4.010 -6.285 1.00 1.64 O ATOM 404 CG2 THR A 29 -12.768 1.991 -7.257 1.00 1.64 C ATOM 0 H THR A 29 -10.923 3.234 -3.878 1.00 1.02 H new ATOM 0 HA THR A 29 -13.585 2.473 -4.756 1.00 1.07 H new ATOM 0 HB THR A 29 -10.923 2.174 -6.191 1.00 1.24 H new ATOM 0 HG1 THR A 29 -11.499 4.233 -7.160 1.00 1.64 H new ATOM 0 HG21 THR A 29 -12.331 2.261 -8.219 1.00 1.64 H new ATOM 0 HG22 THR A 29 -12.789 0.906 -7.160 1.00 1.64 H new ATOM 0 HG23 THR A 29 -13.784 2.380 -7.198 1.00 1.64 H new ATOM 412 N GLY A 30 -11.125 0.301 -4.345 1.00 0.96 N ATOM 413 CA GLY A 30 -10.849 -1.109 -4.196 1.00 1.02 C ATOM 414 C GLY A 30 -11.178 -1.867 -5.463 1.00 1.05 C ATOM 415 O GLY A 30 -12.147 -2.629 -5.510 1.00 1.39 O ATOM 0 H GLY A 30 -10.305 0.906 -4.303 1.00 0.96 H new ATOM 0 HA2 GLY A 30 -9.798 -1.252 -3.946 1.00 1.02 H new ATOM 0 HA3 GLY A 30 -11.431 -1.511 -3.367 1.00 1.02 H new ATOM 419 N GLU A 31 -10.375 -1.653 -6.496 1.00 1.00 N ATOM 420 CA GLU A 31 -10.651 -2.228 -7.800 1.00 1.18 C ATOM 421 C GLU A 31 -10.243 -3.696 -7.865 1.00 0.94 C ATOM 422 O GLU A 31 -10.824 -4.465 -8.624 1.00 1.04 O ATOM 423 CB GLU A 31 -9.956 -1.434 -8.908 1.00 1.63 C ATOM 424 CG GLU A 31 -10.327 0.041 -8.915 1.00 2.14 C ATOM 425 CD GLU A 31 -10.049 0.714 -10.244 1.00 2.60 C ATOM 426 OE1 GLU A 31 -8.862 0.946 -10.556 1.00 2.90 O ATOM 427 OE2 GLU A 31 -11.010 1.023 -10.981 1.00 3.06 O ATOM 0 H GLU A 31 -9.528 -1.086 -6.454 1.00 1.00 H new ATOM 0 HA GLU A 31 -11.728 -2.172 -7.955 1.00 1.18 H new ATOM 0 HB2 GLU A 31 -8.876 -1.529 -8.791 1.00 1.63 H new ATOM 0 HB3 GLU A 31 -10.212 -1.870 -9.873 1.00 1.63 H new ATOM 0 HG2 GLU A 31 -11.385 0.145 -8.675 1.00 2.14 H new ATOM 0 HG3 GLU A 31 -9.771 0.554 -8.131 1.00 2.14 H new ATOM 434 N GLU A 32 -9.256 -4.094 -7.071 1.00 0.85 N ATOM 435 CA GLU A 32 -8.834 -5.484 -7.059 1.00 1.01 C ATOM 436 C GLU A 32 -9.452 -6.217 -5.882 1.00 1.08 C ATOM 437 O GLU A 32 -9.849 -7.376 -6.000 1.00 1.36 O ATOM 438 CB GLU A 32 -7.313 -5.612 -7.032 1.00 1.26 C ATOM 439 CG GLU A 32 -6.644 -5.057 -8.276 1.00 1.66 C ATOM 440 CD GLU A 32 -5.350 -5.770 -8.602 1.00 1.90 C ATOM 441 OE1 GLU A 32 -5.289 -6.441 -9.653 1.00 2.09 O ATOM 442 OE2 GLU A 32 -4.396 -5.677 -7.807 1.00 2.44 O ATOM 0 H GLU A 32 -8.741 -3.483 -6.437 1.00 0.85 H new ATOM 0 HA GLU A 32 -9.186 -5.943 -7.983 1.00 1.01 H new ATOM 0 HB2 GLU A 32 -6.927 -5.091 -6.156 1.00 1.26 H new ATOM 0 HB3 GLU A 32 -7.045 -6.663 -6.921 1.00 1.26 H new ATOM 0 HG2 GLU A 32 -7.326 -5.144 -9.122 1.00 1.66 H new ATOM 0 HG3 GLU A 32 -6.445 -3.995 -8.135 1.00 1.66 H new ATOM 603 N GLN A 44 -13.022 -0.747 4.708 1.00 0.64 N ATOM 604 CA GLN A 44 -11.703 -0.428 4.171 1.00 0.45 C ATOM 605 C GLN A 44 -11.283 0.996 4.529 1.00 0.42 C ATOM 606 O GLN A 44 -12.103 1.916 4.548 1.00 0.57 O ATOM 607 CB GLN A 44 -11.686 -0.567 2.654 1.00 0.42 C ATOM 608 CG GLN A 44 -11.996 -1.968 2.147 1.00 0.57 C ATOM 609 CD GLN A 44 -12.077 -2.030 0.635 1.00 0.64 C ATOM 610 OE1 GLN A 44 -12.513 -1.082 -0.018 1.00 1.40 O ATOM 611 NE2 GLN A 44 -11.622 -3.131 0.065 1.00 1.18 N ATOM 0 HA GLN A 44 -11.003 -1.134 4.617 1.00 0.45 H new ATOM 0 HB2 GLN A 44 -12.410 0.128 2.230 1.00 0.42 H new ATOM 0 HB3 GLN A 44 -10.704 -0.269 2.285 1.00 0.42 H new ATOM 0 HG2 GLN A 44 -11.226 -2.656 2.495 1.00 0.57 H new ATOM 0 HG3 GLN A 44 -12.941 -2.305 2.573 1.00 0.57 H new ATOM 0 HE21 GLN A 44 -11.269 -3.895 0.641 1.00 1.18 H new ATOM 0 HE22 GLN A 44 -11.624 -3.217 -0.951 1.00 1.18 H new ATOM 620 N VAL A 45 -10.004 1.164 4.790 1.00 0.33 N ATOM 621 CA VAL A 45 -9.456 2.454 5.184 1.00 0.36 C ATOM 622 C VAL A 45 -8.460 2.934 4.146 1.00 0.27 C ATOM 623 O VAL A 45 -7.462 2.269 3.880 1.00 0.33 O ATOM 624 CB VAL A 45 -8.756 2.384 6.560 1.00 0.48 C ATOM 625 CG1 VAL A 45 -8.197 3.746 6.953 1.00 1.19 C ATOM 626 CG2 VAL A 45 -9.711 1.875 7.625 1.00 1.37 C ATOM 0 H VAL A 45 -9.313 0.416 4.737 1.00 0.33 H new ATOM 0 HA VAL A 45 -10.289 3.153 5.258 1.00 0.36 H new ATOM 0 HB VAL A 45 -7.925 1.683 6.480 1.00 0.48 H new ATOM 0 HG11 VAL A 45 -7.709 3.672 7.925 1.00 1.19 H new ATOM 0 HG12 VAL A 45 -7.472 4.071 6.207 1.00 1.19 H new ATOM 0 HG13 VAL A 45 -9.010 4.470 7.009 1.00 1.19 H new ATOM 0 HG21 VAL A 45 -9.197 1.834 8.585 1.00 1.37 H new ATOM 0 HG22 VAL A 45 -10.565 2.548 7.699 1.00 1.37 H new ATOM 0 HG23 VAL A 45 -10.058 0.877 7.356 1.00 1.37 H new ATOM 636 N ALA A 46 -8.746 4.076 3.558 1.00 0.24 N ATOM 637 CA ALA A 46 -7.879 4.646 2.548 1.00 0.21 C ATOM 638 C ALA A 46 -7.012 5.745 3.136 1.00 0.20 C ATOM 639 O ALA A 46 -7.516 6.688 3.745 1.00 0.30 O ATOM 640 CB ALA A 46 -8.703 5.191 1.398 1.00 0.29 C ATOM 0 H ALA A 46 -9.577 4.631 3.763 1.00 0.24 H new ATOM 0 HA ALA A 46 -7.226 3.857 2.175 1.00 0.21 H new ATOM 0 HB1 ALA A 46 -8.040 5.617 0.645 1.00 0.29 H new ATOM 0 HB2 ALA A 46 -9.286 4.384 0.954 1.00 0.29 H new ATOM 0 HB3 ALA A 46 -9.377 5.964 1.767 1.00 0.29 H new ATOM 646 N ILE A 47 -5.708 5.611 2.971 1.00 0.21 N ATOM 647 CA ILE A 47 -4.788 6.664 3.356 1.00 0.21 C ATOM 648 C ILE A 47 -4.015 7.160 2.144 1.00 0.20 C ATOM 649 O ILE A 47 -3.819 6.428 1.168 1.00 0.21 O ATOM 650 CB ILE A 47 -3.798 6.235 4.465 1.00 0.21 C ATOM 651 CG1 ILE A 47 -3.101 4.918 4.118 1.00 0.21 C ATOM 652 CG2 ILE A 47 -4.504 6.133 5.811 1.00 0.23 C ATOM 653 CD1 ILE A 47 -2.090 4.488 5.161 1.00 0.23 C ATOM 0 H ILE A 47 -5.263 4.784 2.573 1.00 0.21 H new ATOM 0 HA ILE A 47 -5.398 7.468 3.767 1.00 0.21 H new ATOM 0 HB ILE A 47 -3.031 7.006 4.536 1.00 0.21 H new ATOM 0 HG12 ILE A 47 -3.851 4.136 4.004 1.00 0.21 H new ATOM 0 HG13 ILE A 47 -2.600 5.022 3.156 1.00 0.21 H new ATOM 0 HG21 ILE A 47 -3.788 5.830 6.575 1.00 0.23 H new ATOM 0 HG22 ILE A 47 -4.927 7.102 6.074 1.00 0.23 H new ATOM 0 HG23 ILE A 47 -5.302 5.394 5.748 1.00 0.23 H new ATOM 0 HD11 ILE A 47 -1.631 3.548 4.857 1.00 0.23 H new ATOM 0 HD12 ILE A 47 -1.320 5.253 5.258 1.00 0.23 H new ATOM 0 HD13 ILE A 47 -2.591 4.353 6.120 1.00 0.23 H new ATOM 665 N GLN A 48 -3.610 8.416 2.210 1.00 0.24 N ATOM 666 CA GLN A 48 -2.872 9.059 1.138 1.00 0.25 C ATOM 667 C GLN A 48 -1.471 8.470 1.094 1.00 0.22 C ATOM 668 O GLN A 48 -0.771 8.422 2.107 1.00 0.36 O ATOM 669 CB GLN A 48 -2.829 10.568 1.391 1.00 0.36 C ATOM 670 CG GLN A 48 -2.744 11.430 0.137 1.00 0.47 C ATOM 671 CD GLN A 48 -1.518 11.150 -0.706 1.00 1.43 C ATOM 672 OE1 GLN A 48 -0.443 11.692 -0.456 1.00 2.38 O ATOM 673 NE2 GLN A 48 -1.684 10.336 -1.735 1.00 1.78 N ATOM 0 H GLN A 48 -3.785 9.021 3.012 1.00 0.24 H new ATOM 0 HA GLN A 48 -3.357 8.888 0.177 1.00 0.25 H new ATOM 0 HB2 GLN A 48 -3.721 10.853 1.950 1.00 0.36 H new ATOM 0 HB3 GLN A 48 -1.971 10.790 2.025 1.00 0.36 H new ATOM 0 HG2 GLN A 48 -3.636 11.267 -0.468 1.00 0.47 H new ATOM 0 HG3 GLN A 48 -2.744 12.481 0.427 1.00 0.47 H new ATOM 0 HE21 GLN A 48 -2.594 9.908 -1.905 1.00 1.78 H new ATOM 0 HE22 GLN A 48 -0.902 10.136 -2.359 1.00 1.78 H new ATOM 682 N CYS A 49 -1.074 8.023 -0.076 1.00 0.26 N ATOM 683 CA CYS A 49 0.140 7.253 -0.224 1.00 0.25 C ATOM 684 C CYS A 49 0.958 7.771 -1.401 1.00 0.28 C ATOM 685 O CYS A 49 0.475 8.590 -2.182 1.00 0.32 O ATOM 686 CB CYS A 49 -0.238 5.786 -0.432 1.00 0.25 C ATOM 687 SG CYS A 49 1.054 4.600 0.016 1.00 1.15 S ATOM 0 H CYS A 49 -1.580 8.182 -0.947 1.00 0.26 H new ATOM 0 HA CYS A 49 0.752 7.349 0.673 1.00 0.25 H new ATOM 0 HB2 CYS A 49 -1.131 5.569 0.154 1.00 0.25 H new ATOM 0 HB3 CYS A 49 -0.501 5.638 -1.479 1.00 0.25 H new ATOM 692 N THR A 50 2.194 7.307 -1.517 1.00 0.28 N ATOM 693 CA THR A 50 3.055 7.699 -2.618 1.00 0.36 C ATOM 694 C THR A 50 4.187 6.686 -2.793 1.00 0.38 C ATOM 695 O THR A 50 4.767 6.206 -1.818 1.00 0.45 O ATOM 696 CB THR A 50 3.628 9.121 -2.412 1.00 0.46 C ATOM 697 OG1 THR A 50 4.377 9.529 -3.563 1.00 0.60 O ATOM 698 CG2 THR A 50 4.512 9.182 -1.180 1.00 0.54 C ATOM 0 H THR A 50 2.622 6.656 -0.858 1.00 0.28 H new ATOM 0 HA THR A 50 2.451 7.714 -3.525 1.00 0.36 H new ATOM 0 HB THR A 50 2.788 9.800 -2.269 1.00 0.46 H new ATOM 0 HG1 THR A 50 4.732 10.431 -3.419 1.00 0.60 H new ATOM 0 HG21 THR A 50 4.900 10.193 -1.061 1.00 0.54 H new ATOM 0 HG22 THR A 50 3.929 8.911 -0.300 1.00 0.54 H new ATOM 0 HG23 THR A 50 5.343 8.485 -1.293 1.00 0.54 H new ATOM 706 N GLN A 51 4.475 6.333 -4.034 1.00 0.39 N ATOM 707 CA GLN A 51 5.514 5.358 -4.319 1.00 0.42 C ATOM 708 C GLN A 51 6.584 5.978 -5.215 1.00 0.42 C ATOM 709 O GLN A 51 6.275 6.638 -6.210 1.00 0.58 O ATOM 710 CB GLN A 51 4.893 4.122 -4.968 1.00 0.57 C ATOM 711 CG GLN A 51 5.438 2.792 -4.452 1.00 0.66 C ATOM 712 CD GLN A 51 6.823 2.465 -4.975 1.00 1.01 C ATOM 713 OE1 GLN A 51 6.955 1.936 -6.075 1.00 2.08 O ATOM 714 NE2 GLN A 51 7.854 2.690 -4.166 1.00 0.74 N ATOM 0 H GLN A 51 4.005 6.706 -4.859 1.00 0.39 H new ATOM 0 HA GLN A 51 5.994 5.052 -3.389 1.00 0.42 H new ATOM 0 HB2 GLN A 51 3.815 4.145 -4.806 1.00 0.57 H new ATOM 0 HB3 GLN A 51 5.055 4.173 -6.045 1.00 0.57 H new ATOM 0 HG2 GLN A 51 5.466 2.817 -3.363 1.00 0.66 H new ATOM 0 HG3 GLN A 51 4.753 1.993 -4.735 1.00 0.66 H new ATOM 0 HE21 GLN A 51 7.704 3.132 -3.259 1.00 0.74 H new ATOM 0 HE22 GLN A 51 8.795 2.420 -4.452 1.00 0.74 H new ATOM 723 N ILE A 52 7.834 5.773 -4.837 1.00 0.43 N ATOM 724 CA ILE A 52 8.978 6.334 -5.541 1.00 0.50 C ATOM 725 C ILE A 52 9.316 5.488 -6.775 1.00 0.56 C ATOM 726 O ILE A 52 9.109 4.283 -6.757 1.00 0.65 O ATOM 727 CB ILE A 52 10.183 6.403 -4.565 1.00 0.63 C ATOM 728 CG1 ILE A 52 9.879 7.383 -3.439 1.00 0.72 C ATOM 729 CG2 ILE A 52 11.480 6.781 -5.267 1.00 0.85 C ATOM 730 CD1 ILE A 52 9.569 8.777 -3.916 1.00 0.95 C ATOM 0 H ILE A 52 8.087 5.208 -4.026 1.00 0.43 H new ATOM 0 HA ILE A 52 8.740 7.340 -5.888 1.00 0.50 H new ATOM 0 HB ILE A 52 10.329 5.405 -4.152 1.00 0.63 H new ATOM 0 HG12 ILE A 52 9.033 7.009 -2.863 1.00 0.72 H new ATOM 0 HG13 ILE A 52 10.733 7.422 -2.763 1.00 0.72 H new ATOM 0 HG21 ILE A 52 12.291 6.815 -4.539 1.00 0.85 H new ATOM 0 HG22 ILE A 52 11.710 6.039 -6.032 1.00 0.85 H new ATOM 0 HG23 ILE A 52 11.369 7.760 -5.733 1.00 0.85 H new ATOM 0 HD11 ILE A 52 9.363 9.418 -3.058 1.00 0.95 H new ATOM 0 HD12 ILE A 52 10.423 9.171 -4.467 1.00 0.95 H new ATOM 0 HD13 ILE A 52 8.696 8.753 -4.569 1.00 0.95 H new ATOM 742 N PRO A 53 9.776 6.124 -7.883 1.00 0.66 N ATOM 743 CA PRO A 53 10.195 5.436 -9.112 1.00 0.80 C ATOM 744 C PRO A 53 10.920 4.115 -8.850 1.00 0.82 C ATOM 745 O PRO A 53 11.911 4.072 -8.116 1.00 0.87 O ATOM 746 CB PRO A 53 11.140 6.442 -9.787 1.00 0.95 C ATOM 747 CG PRO A 53 11.086 7.697 -8.964 1.00 0.85 C ATOM 748 CD PRO A 53 9.900 7.572 -8.048 1.00 0.70 C ATOM 0 HA PRO A 53 9.334 5.158 -9.720 1.00 0.80 H new ATOM 0 HB2 PRO A 53 12.156 6.050 -9.831 1.00 0.95 H new ATOM 0 HB3 PRO A 53 10.829 6.638 -10.813 1.00 0.95 H new ATOM 0 HG2 PRO A 53 12.005 7.822 -8.391 1.00 0.85 H new ATOM 0 HG3 PRO A 53 10.988 8.574 -9.604 1.00 0.85 H new ATOM 0 HD2 PRO A 53 10.068 8.076 -7.096 1.00 0.70 H new ATOM 0 HD3 PRO A 53 9.002 8.009 -8.485 1.00 0.70 H new ATOM 756 N LEU A 54 10.423 3.059 -9.487 1.00 0.90 N ATOM 757 CA LEU A 54 10.862 1.690 -9.232 1.00 0.96 C ATOM 758 C LEU A 54 12.351 1.478 -9.499 1.00 0.90 C ATOM 759 O LEU A 54 12.849 1.747 -10.598 1.00 1.03 O ATOM 760 CB LEU A 54 10.057 0.720 -10.100 1.00 1.27 C ATOM 761 CG LEU A 54 8.547 0.708 -9.848 1.00 1.07 C ATOM 762 CD1 LEU A 54 7.840 -0.128 -10.901 1.00 1.67 C ATOM 763 CD2 LEU A 54 8.244 0.171 -8.459 1.00 1.08 C ATOM 0 H LEU A 54 9.698 3.130 -10.201 1.00 0.90 H new ATOM 0 HA LEU A 54 10.691 1.499 -8.173 1.00 0.96 H new ATOM 0 HB2 LEU A 54 10.231 0.967 -11.147 1.00 1.27 H new ATOM 0 HB3 LEU A 54 10.442 -0.287 -9.942 1.00 1.27 H new ATOM 0 HG LEU A 54 8.179 1.732 -9.912 1.00 1.07 H new ATOM 0 HD11 LEU A 54 6.767 -0.126 -10.707 1.00 1.67 H new ATOM 0 HD12 LEU A 54 8.031 0.293 -11.888 1.00 1.67 H new ATOM 0 HD13 LEU A 54 8.213 -1.151 -10.864 1.00 1.67 H new ATOM 0 HD21 LEU A 54 7.166 0.169 -8.297 1.00 1.08 H new ATOM 0 HD22 LEU A 54 8.626 -0.846 -8.371 1.00 1.08 H new ATOM 0 HD23 LEU A 54 8.723 0.804 -7.712 1.00 1.08 H new ATOM 775 N LEU A 55 13.046 1.003 -8.478 1.00 0.88 N ATOM 776 CA LEU A 55 14.415 0.544 -8.609 1.00 0.96 C ATOM 777 C LEU A 55 14.451 -0.974 -8.484 1.00 0.93 C ATOM 778 O LEU A 55 13.897 -1.540 -7.539 1.00 0.85 O ATOM 779 CB LEU A 55 15.296 1.175 -7.532 1.00 1.08 C ATOM 780 CG LEU A 55 15.451 2.692 -7.615 1.00 1.26 C ATOM 781 CD1 LEU A 55 16.308 3.200 -6.466 1.00 1.52 C ATOM 782 CD2 LEU A 55 16.059 3.095 -8.948 1.00 1.58 C ATOM 0 H LEU A 55 12.673 0.926 -7.532 1.00 0.88 H new ATOM 0 HA LEU A 55 14.798 0.841 -9.585 1.00 0.96 H new ATOM 0 HB2 LEU A 55 14.883 0.922 -6.555 1.00 1.08 H new ATOM 0 HB3 LEU A 55 16.286 0.723 -7.586 1.00 1.08 H new ATOM 0 HG LEU A 55 14.462 3.144 -7.538 1.00 1.26 H new ATOM 0 HD11 LEU A 55 16.409 4.283 -6.539 1.00 1.52 H new ATOM 0 HD12 LEU A 55 15.835 2.943 -5.518 1.00 1.52 H new ATOM 0 HD13 LEU A 55 17.294 2.739 -6.516 1.00 1.52 H new ATOM 0 HD21 LEU A 55 16.161 4.179 -8.988 1.00 1.58 H new ATOM 0 HD22 LEU A 55 17.041 2.634 -9.054 1.00 1.58 H new ATOM 0 HD23 LEU A 55 15.411 2.762 -9.759 1.00 1.58 H new ATOM 794 N ILE A 56 15.098 -1.632 -9.433 1.00 1.10 N ATOM 795 CA ILE A 56 15.130 -3.087 -9.467 1.00 1.16 C ATOM 796 C ILE A 56 15.968 -3.634 -8.319 1.00 1.07 C ATOM 797 O ILE A 56 17.053 -3.130 -8.025 1.00 1.14 O ATOM 798 CB ILE A 56 15.689 -3.630 -10.806 1.00 1.45 C ATOM 799 CG1 ILE A 56 14.809 -3.215 -11.998 1.00 1.68 C ATOM 800 CG2 ILE A 56 15.819 -5.147 -10.766 1.00 1.58 C ATOM 801 CD1 ILE A 56 14.906 -1.753 -12.387 1.00 2.11 C ATOM 0 H ILE A 56 15.609 -1.181 -10.192 1.00 1.10 H new ATOM 0 HA ILE A 56 14.098 -3.423 -9.366 1.00 1.16 H new ATOM 0 HB ILE A 56 16.678 -3.192 -10.941 1.00 1.45 H new ATOM 0 HG12 ILE A 56 15.081 -3.824 -12.860 1.00 1.68 H new ATOM 0 HG13 ILE A 56 13.770 -3.444 -11.761 1.00 1.68 H new ATOM 0 HG21 ILE A 56 16.213 -5.504 -11.718 1.00 1.58 H new ATOM 0 HG22 ILE A 56 16.497 -5.433 -9.962 1.00 1.58 H new ATOM 0 HG23 ILE A 56 14.840 -5.592 -10.590 1.00 1.58 H new ATOM 0 HD11 ILE A 56 14.250 -1.558 -13.236 1.00 2.11 H new ATOM 0 HD12 ILE A 56 14.603 -1.131 -11.544 1.00 2.11 H new ATOM 0 HD13 ILE A 56 15.934 -1.517 -12.661 1.00 2.11 H new ATOM 813 N GLY A 57 15.442 -4.661 -7.675 1.00 1.03 N ATOM 814 CA GLY A 57 16.126 -5.295 -6.564 1.00 1.00 C ATOM 815 C GLY A 57 16.095 -4.468 -5.294 1.00 0.86 C ATOM 816 O GLY A 57 16.791 -4.781 -4.326 1.00 0.90 O ATOM 0 H GLY A 57 14.538 -5.075 -7.905 1.00 1.03 H new ATOM 0 HA2 GLY A 57 15.668 -6.265 -6.370 1.00 1.00 H new ATOM 0 HA3 GLY A 57 17.163 -5.482 -6.843 1.00 1.00 H new ATOM 820 N ILE A 58 15.285 -3.420 -5.282 1.00 0.77 N ATOM 821 CA ILE A 58 15.234 -2.523 -4.144 1.00 0.66 C ATOM 822 C ILE A 58 13.967 -2.710 -3.315 1.00 0.61 C ATOM 823 O ILE A 58 12.938 -3.175 -3.805 1.00 0.69 O ATOM 824 CB ILE A 58 15.405 -1.051 -4.599 1.00 0.67 C ATOM 825 CG1 ILE A 58 16.850 -0.612 -4.370 1.00 0.72 C ATOM 826 CG2 ILE A 58 14.439 -0.103 -3.901 1.00 0.60 C ATOM 827 CD1 ILE A 58 17.290 -0.714 -2.920 1.00 0.71 C ATOM 0 H ILE A 58 14.657 -3.173 -6.047 1.00 0.77 H new ATOM 0 HA ILE A 58 16.069 -2.777 -3.492 1.00 0.66 H new ATOM 0 HB ILE A 58 15.168 -1.004 -5.662 1.00 0.67 H new ATOM 0 HG12 ILE A 58 17.509 -1.224 -4.986 1.00 0.72 H new ATOM 0 HG13 ILE A 58 16.966 0.419 -4.705 1.00 0.72 H new ATOM 0 HG21 ILE A 58 14.604 0.913 -4.259 1.00 0.60 H new ATOM 0 HG22 ILE A 58 13.414 -0.402 -4.119 1.00 0.60 H new ATOM 0 HG23 ILE A 58 14.606 -0.141 -2.825 1.00 0.60 H new ATOM 0 HD11 ILE A 58 18.326 -0.387 -2.830 1.00 0.71 H new ATOM 0 HD12 ILE A 58 16.654 -0.080 -2.301 1.00 0.71 H new ATOM 0 HD13 ILE A 58 17.206 -1.748 -2.586 1.00 0.71 H new ATOM 839 N ALA A 59 14.088 -2.358 -2.043 1.00 0.57 N ATOM 840 CA ALA A 59 13.028 -2.502 -1.064 1.00 0.59 C ATOM 841 C ALA A 59 12.160 -1.246 -1.000 1.00 0.49 C ATOM 842 O ALA A 59 12.668 -0.138 -1.148 1.00 0.50 O ATOM 843 CB ALA A 59 13.668 -2.758 0.283 1.00 0.68 C ATOM 0 H ALA A 59 14.943 -1.957 -1.658 1.00 0.57 H new ATOM 0 HA ALA A 59 12.381 -3.332 -1.348 1.00 0.59 H new ATOM 0 HB1 ALA A 59 12.891 -2.870 1.039 1.00 0.68 H new ATOM 0 HB2 ALA A 59 14.263 -3.670 0.236 1.00 0.68 H new ATOM 0 HB3 ALA A 59 14.311 -1.918 0.546 1.00 0.68 H new ATOM 849 N ILE A 60 10.865 -1.430 -0.748 1.00 0.46 N ATOM 850 CA ILE A 60 9.907 -0.320 -0.644 1.00 0.42 C ATOM 851 C ILE A 60 10.383 0.731 0.364 1.00 0.40 C ATOM 852 O ILE A 60 10.339 1.930 0.096 1.00 0.39 O ATOM 853 CB ILE A 60 8.509 -0.850 -0.222 1.00 0.53 C ATOM 854 CG1 ILE A 60 7.483 0.282 -0.146 1.00 0.61 C ATOM 855 CG2 ILE A 60 8.586 -1.587 1.109 1.00 0.62 C ATOM 856 CD1 ILE A 60 7.111 0.856 -1.493 1.00 0.69 C ATOM 0 H ILE A 60 10.446 -2.350 -0.610 1.00 0.46 H new ATOM 0 HA ILE A 60 9.836 0.149 -1.625 1.00 0.42 H new ATOM 0 HB ILE A 60 8.180 -1.552 -0.988 1.00 0.53 H new ATOM 0 HG12 ILE A 60 6.582 -0.089 0.343 1.00 0.61 H new ATOM 0 HG13 ILE A 60 7.881 1.079 0.482 1.00 0.61 H new ATOM 0 HG21 ILE A 60 7.595 -1.948 1.383 1.00 0.62 H new ATOM 0 HG22 ILE A 60 9.268 -2.432 1.018 1.00 0.62 H new ATOM 0 HG23 ILE A 60 8.950 -0.908 1.880 1.00 0.62 H new ATOM 0 HD11 ILE A 60 6.380 1.653 -1.359 1.00 0.69 H new ATOM 0 HD12 ILE A 60 8.002 1.258 -1.976 1.00 0.69 H new ATOM 0 HD13 ILE A 60 6.683 0.072 -2.117 1.00 0.69 H new ATOM 868 N GLU A 61 10.881 0.265 1.503 1.00 0.49 N ATOM 869 CA GLU A 61 11.283 1.147 2.587 1.00 0.60 C ATOM 870 C GLU A 61 12.596 1.856 2.265 1.00 0.58 C ATOM 871 O GLU A 61 12.898 2.906 2.826 1.00 0.71 O ATOM 872 CB GLU A 61 11.423 0.344 3.881 1.00 0.83 C ATOM 873 CG GLU A 61 12.405 -0.809 3.774 1.00 0.73 C ATOM 874 CD GLU A 61 12.720 -1.437 5.114 1.00 1.47 C ATOM 875 OE1 GLU A 61 12.068 -2.435 5.475 1.00 2.20 O ATOM 876 OE2 GLU A 61 13.638 -0.940 5.805 1.00 1.82 O ATOM 0 H GLU A 61 11.016 -0.727 1.699 1.00 0.49 H new ATOM 0 HA GLU A 61 10.513 1.908 2.713 1.00 0.60 H new ATOM 0 HB2 GLU A 61 11.744 1.011 4.681 1.00 0.83 H new ATOM 0 HB3 GLU A 61 10.446 -0.046 4.165 1.00 0.83 H new ATOM 0 HG2 GLU A 61 11.995 -1.569 3.109 1.00 0.73 H new ATOM 0 HG3 GLU A 61 13.329 -0.452 3.319 1.00 0.73 H new ATOM 883 N ASP A 62 13.366 1.274 1.359 1.00 0.54 N ATOM 884 CA ASP A 62 14.659 1.829 0.978 1.00 0.60 C ATOM 885 C ASP A 62 14.484 2.782 -0.194 1.00 0.51 C ATOM 886 O ASP A 62 15.169 3.798 -0.300 1.00 0.65 O ATOM 887 CB ASP A 62 15.619 0.700 0.593 1.00 0.75 C ATOM 888 CG ASP A 62 17.044 1.177 0.390 1.00 1.16 C ATOM 889 OD1 ASP A 62 17.875 1.010 1.306 1.00 1.22 O ATOM 890 OD2 ASP A 62 17.332 1.752 -0.681 1.00 1.98 O ATOM 0 H ASP A 62 13.118 0.413 0.871 1.00 0.54 H new ATOM 0 HA ASP A 62 15.076 2.375 1.824 1.00 0.60 H new ATOM 0 HB2 ASP A 62 15.605 -0.063 1.371 1.00 0.75 H new ATOM 0 HB3 ASP A 62 15.266 0.227 -0.323 1.00 0.75 H new ATOM 895 N GLU A 63 13.540 2.440 -1.060 1.00 0.40 N ATOM 896 CA GLU A 63 13.266 3.202 -2.266 1.00 0.40 C ATOM 897 C GLU A 63 12.680 4.562 -1.918 1.00 0.34 C ATOM 898 O GLU A 63 12.958 5.565 -2.578 1.00 0.42 O ATOM 899 CB GLU A 63 12.277 2.421 -3.133 1.00 0.43 C ATOM 900 CG GLU A 63 12.199 2.891 -4.568 1.00 0.64 C ATOM 901 CD GLU A 63 11.322 1.991 -5.404 1.00 1.40 C ATOM 902 OE1 GLU A 63 10.083 2.130 -5.340 1.00 2.09 O ATOM 903 OE2 GLU A 63 11.870 1.166 -6.147 1.00 1.68 O ATOM 0 H GLU A 63 12.941 1.622 -0.943 1.00 0.40 H new ATOM 0 HA GLU A 63 14.198 3.358 -2.810 1.00 0.40 H new ATOM 0 HB2 GLU A 63 12.557 1.368 -3.123 1.00 0.43 H new ATOM 0 HB3 GLU A 63 11.286 2.492 -2.686 1.00 0.43 H new ATOM 0 HG2 GLU A 63 11.809 3.908 -4.597 1.00 0.64 H new ATOM 0 HG3 GLU A 63 13.201 2.922 -4.996 1.00 0.64 H new ATOM 910 N CYS A 64 11.883 4.592 -0.867 1.00 0.29 N ATOM 911 CA CYS A 64 11.178 5.799 -0.486 1.00 0.32 C ATOM 912 C CYS A 64 11.548 6.202 0.938 1.00 0.40 C ATOM 913 O CYS A 64 12.231 5.460 1.642 1.00 0.60 O ATOM 914 CB CYS A 64 9.678 5.551 -0.591 1.00 0.33 C ATOM 915 SG CYS A 64 8.991 4.629 0.824 1.00 0.47 S ATOM 0 H CYS A 64 11.708 3.791 -0.261 1.00 0.29 H new ATOM 0 HA CYS A 64 11.461 6.612 -1.154 1.00 0.32 H new ATOM 0 HB2 CYS A 64 9.165 6.509 -0.674 1.00 0.33 H new ATOM 0 HB3 CYS A 64 9.473 4.999 -1.508 1.00 0.33 H new ATOM 920 N LYS A 65 11.101 7.378 1.363 1.00 0.43 N ATOM 921 CA LYS A 65 11.416 7.871 2.698 1.00 0.51 C ATOM 922 C LYS A 65 10.152 8.122 3.511 1.00 0.45 C ATOM 923 O LYS A 65 10.163 8.883 4.478 1.00 0.60 O ATOM 924 CB LYS A 65 12.257 9.145 2.615 1.00 0.69 C ATOM 925 CG LYS A 65 13.613 8.938 1.963 1.00 1.41 C ATOM 926 CD LYS A 65 14.474 7.991 2.781 1.00 1.33 C ATOM 927 CE LYS A 65 15.809 7.721 2.110 1.00 1.77 C ATOM 928 NZ LYS A 65 16.606 8.964 1.942 1.00 2.32 N ATOM 0 H LYS A 65 10.522 8.005 0.805 1.00 0.43 H new ATOM 0 HA LYS A 65 11.995 7.101 3.208 1.00 0.51 H new ATOM 0 HB2 LYS A 65 11.705 9.899 2.054 1.00 0.69 H new ATOM 0 HB3 LYS A 65 12.403 9.540 3.620 1.00 0.69 H new ATOM 0 HG2 LYS A 65 13.479 8.537 0.958 1.00 1.41 H new ATOM 0 HG3 LYS A 65 14.120 9.897 1.859 1.00 1.41 H new ATOM 0 HD2 LYS A 65 14.644 8.417 3.770 1.00 1.33 H new ATOM 0 HD3 LYS A 65 13.943 7.050 2.926 1.00 1.33 H new ATOM 0 HE2 LYS A 65 16.376 7.004 2.704 1.00 1.77 H new ATOM 0 HE3 LYS A 65 15.639 7.264 1.135 1.00 1.77 H new ATOM 0 HZ1 LYS A 65 17.575 8.719 1.656 1.00 2.32 H new ATOM 0 HZ2 LYS A 65 16.169 9.560 1.210 1.00 2.32 H new ATOM 0 HZ3 LYS A 65 16.632 9.484 2.842 1.00 2.32 H new ATOM 942 N ASN A 66 9.064 7.481 3.115 1.00 0.35 N ATOM 943 CA ASN A 66 7.824 7.539 3.880 1.00 0.30 C ATOM 944 C ASN A 66 7.633 6.233 4.636 1.00 0.29 C ATOM 945 O ASN A 66 8.563 5.427 4.721 1.00 0.41 O ATOM 946 CB ASN A 66 6.623 7.816 2.968 1.00 0.36 C ATOM 947 CG ASN A 66 6.545 9.264 2.522 1.00 0.59 C ATOM 948 OD1 ASN A 66 5.934 10.098 3.187 1.00 1.06 O ATOM 949 ND2 ASN A 66 7.155 9.575 1.390 1.00 1.02 N ATOM 0 H ASN A 66 9.012 6.914 2.269 1.00 0.35 H new ATOM 0 HA ASN A 66 7.891 8.361 4.593 1.00 0.30 H new ATOM 0 HB2 ASN A 66 6.683 7.173 2.090 1.00 0.36 H new ATOM 0 HB3 ASN A 66 5.705 7.553 3.494 1.00 0.36 H new ATOM 0 HD21 ASN A 66 7.128 10.534 1.043 1.00 1.02 H new ATOM 0 HD22 ASN A 66 7.653 8.856 0.865 1.00 1.02 H new ATOM 956 N THR A 67 6.448 6.016 5.189 1.00 0.28 N ATOM 957 CA THR A 67 6.194 4.814 5.956 1.00 0.27 C ATOM 958 C THR A 67 5.762 3.660 5.058 1.00 0.25 C ATOM 959 O THR A 67 4.765 3.742 4.340 1.00 0.26 O ATOM 960 CB THR A 67 5.135 5.023 7.057 1.00 0.29 C ATOM 961 OG1 THR A 67 5.545 6.072 7.949 1.00 0.34 O ATOM 962 CG2 THR A 67 4.945 3.732 7.843 1.00 0.31 C ATOM 0 H THR A 67 5.655 6.654 5.119 1.00 0.28 H new ATOM 0 HA THR A 67 7.140 4.566 6.437 1.00 0.27 H new ATOM 0 HB THR A 67 4.193 5.304 6.587 1.00 0.29 H new ATOM 0 HG1 THR A 67 4.864 6.197 8.643 1.00 0.34 H new ATOM 0 HG21 THR A 67 4.196 3.886 8.620 1.00 0.31 H new ATOM 0 HG22 THR A 67 4.613 2.942 7.170 1.00 0.31 H new ATOM 0 HG23 THR A 67 5.890 3.444 8.303 1.00 0.31 H new ATOM 970 N PRO A 68 6.536 2.578 5.099 1.00 0.28 N ATOM 971 CA PRO A 68 6.216 1.339 4.407 1.00 0.30 C ATOM 972 C PRO A 68 4.979 0.678 5.003 1.00 0.25 C ATOM 973 O PRO A 68 4.938 0.387 6.205 1.00 0.28 O ATOM 974 CB PRO A 68 7.431 0.440 4.637 1.00 0.38 C ATOM 975 CG PRO A 68 8.413 1.213 5.450 1.00 0.45 C ATOM 976 CD PRO A 68 7.781 2.503 5.856 1.00 0.38 C ATOM 0 HA PRO A 68 6.006 1.515 3.352 1.00 0.30 H new ATOM 0 HB2 PRO A 68 7.139 -0.474 5.155 1.00 0.38 H new ATOM 0 HB3 PRO A 68 7.872 0.141 3.686 1.00 0.38 H new ATOM 0 HG2 PRO A 68 8.708 0.642 6.330 1.00 0.45 H new ATOM 0 HG3 PRO A 68 9.319 1.400 4.873 1.00 0.45 H new ATOM 0 HD2 PRO A 68 7.591 2.527 6.929 1.00 0.38 H new ATOM 0 HD3 PRO A 68 8.431 3.348 5.629 1.00 0.38 H new ATOM 984 N THR A 69 3.973 0.452 4.180 1.00 0.23 N ATOM 985 CA THR A 69 2.752 -0.182 4.640 1.00 0.21 C ATOM 986 C THR A 69 2.335 -1.301 3.688 1.00 0.23 C ATOM 987 O THR A 69 2.709 -1.296 2.514 1.00 0.29 O ATOM 988 CB THR A 69 1.594 0.841 4.748 1.00 0.24 C ATOM 989 OG1 THR A 69 1.288 1.374 3.458 1.00 0.31 O ATOM 990 CG2 THR A 69 1.935 1.990 5.687 1.00 0.30 C ATOM 0 H THR A 69 3.977 0.698 3.190 1.00 0.23 H new ATOM 0 HA THR A 69 2.955 -0.596 5.628 1.00 0.21 H new ATOM 0 HB THR A 69 0.733 0.310 5.153 1.00 0.24 H new ATOM 0 HG1 THR A 69 2.120 1.571 2.980 1.00 0.31 H new ATOM 0 HG21 THR A 69 1.095 2.684 5.733 1.00 0.30 H new ATOM 0 HG22 THR A 69 2.137 1.598 6.684 1.00 0.30 H new ATOM 0 HG23 THR A 69 2.817 2.512 5.317 1.00 0.30 H new ATOM 998 N CYS A 70 1.591 -2.266 4.205 1.00 0.23 N ATOM 999 CA CYS A 70 0.979 -3.291 3.372 1.00 0.27 C ATOM 1000 C CYS A 70 -0.479 -2.943 3.131 1.00 0.22 C ATOM 1001 O CYS A 70 -1.269 -2.869 4.074 1.00 0.27 O ATOM 1002 CB CYS A 70 1.075 -4.670 4.031 1.00 0.38 C ATOM 1003 SG CYS A 70 0.054 -5.952 3.220 1.00 1.26 S ATOM 0 H CYS A 70 1.395 -2.362 5.202 1.00 0.23 H new ATOM 0 HA CYS A 70 1.515 -3.328 2.424 1.00 0.27 H new ATOM 0 HB2 CYS A 70 2.116 -4.992 4.026 1.00 0.38 H new ATOM 0 HB3 CYS A 70 0.772 -4.585 5.075 1.00 0.38 H new ATOM 1008 N CYS A 71 -0.829 -2.715 1.881 1.00 0.21 N ATOM 1009 CA CYS A 71 -2.192 -2.374 1.519 1.00 0.19 C ATOM 1010 C CYS A 71 -2.885 -3.588 0.931 1.00 0.21 C ATOM 1011 O CYS A 71 -2.295 -4.348 0.168 1.00 0.28 O ATOM 1012 CB CYS A 71 -2.204 -1.230 0.505 1.00 0.22 C ATOM 1013 SG CYS A 71 -1.252 0.233 1.023 1.00 0.29 S ATOM 0 H CYS A 71 -0.183 -2.760 1.093 1.00 0.21 H new ATOM 0 HA CYS A 71 -2.723 -2.053 2.415 1.00 0.19 H new ATOM 0 HB2 CYS A 71 -1.804 -1.594 -0.442 1.00 0.22 H new ATOM 0 HB3 CYS A 71 -3.236 -0.932 0.322 1.00 0.22 H new ATOM 1018 N GLU A 72 -4.139 -3.770 1.297 1.00 0.22 N ATOM 1019 CA GLU A 72 -4.921 -4.874 0.812 1.00 0.24 C ATOM 1020 C GLU A 72 -5.401 -4.581 -0.614 1.00 0.25 C ATOM 1021 O GLU A 72 -5.719 -5.487 -1.385 1.00 0.37 O ATOM 1022 CB GLU A 72 -6.061 -5.118 1.803 1.00 0.27 C ATOM 1023 CG GLU A 72 -7.284 -5.751 1.202 1.00 1.10 C ATOM 1024 CD GLU A 72 -8.243 -6.247 2.256 1.00 1.22 C ATOM 1025 OE1 GLU A 72 -9.079 -5.450 2.717 1.00 1.53 O ATOM 1026 OE2 GLU A 72 -8.151 -7.433 2.640 1.00 1.37 O ATOM 0 H GLU A 72 -4.638 -3.153 1.939 1.00 0.22 H new ATOM 0 HA GLU A 72 -4.333 -5.789 0.749 1.00 0.24 H new ATOM 0 HB2 GLU A 72 -5.696 -5.756 2.608 1.00 0.27 H new ATOM 0 HB3 GLU A 72 -6.344 -4.167 2.253 1.00 0.27 H new ATOM 0 HG2 GLU A 72 -7.790 -5.027 0.564 1.00 1.10 H new ATOM 0 HG3 GLU A 72 -6.985 -6.583 0.564 1.00 1.10 H new ATOM 1033 N ASP A 73 -5.411 -3.298 -0.959 1.00 0.21 N ATOM 1034 CA ASP A 73 -5.655 -2.846 -2.327 1.00 0.24 C ATOM 1035 C ASP A 73 -5.101 -1.436 -2.471 1.00 0.22 C ATOM 1036 O ASP A 73 -4.884 -0.766 -1.467 1.00 0.19 O ATOM 1037 CB ASP A 73 -7.145 -2.860 -2.656 1.00 0.29 C ATOM 1038 CG ASP A 73 -7.405 -2.899 -4.149 1.00 0.79 C ATOM 1039 OD1 ASP A 73 -8.568 -3.099 -4.562 1.00 1.26 O ATOM 1040 OD2 ASP A 73 -6.446 -2.716 -4.919 1.00 1.03 O ATOM 0 H ASP A 73 -5.250 -2.539 -0.297 1.00 0.21 H new ATOM 0 HA ASP A 73 -5.159 -3.522 -3.023 1.00 0.24 H new ATOM 0 HB2 ASP A 73 -7.610 -3.726 -2.186 1.00 0.29 H new ATOM 0 HB3 ASP A 73 -7.617 -1.974 -2.230 1.00 0.29 H new ATOM 1045 N VAL A 74 -4.828 -0.999 -3.694 1.00 0.28 N ATOM 1046 CA VAL A 74 -4.318 0.356 -3.924 1.00 0.30 C ATOM 1047 C VAL A 74 -4.794 0.883 -5.274 1.00 0.43 C ATOM 1048 O VAL A 74 -4.645 0.209 -6.294 1.00 0.68 O ATOM 1049 CB VAL A 74 -2.767 0.439 -3.911 1.00 0.38 C ATOM 1050 CG1 VAL A 74 -2.313 1.780 -3.363 1.00 0.81 C ATOM 1051 CG2 VAL A 74 -2.127 -0.694 -3.124 1.00 1.07 C ATOM 0 H VAL A 74 -4.949 -1.556 -4.540 1.00 0.28 H new ATOM 0 HA VAL A 74 -4.705 0.957 -3.101 1.00 0.30 H new ATOM 0 HB VAL A 74 -2.436 0.338 -4.945 1.00 0.38 H new ATOM 0 HG11 VAL A 74 -1.224 1.822 -3.361 1.00 0.81 H new ATOM 0 HG12 VAL A 74 -2.706 2.581 -3.989 1.00 0.81 H new ATOM 0 HG13 VAL A 74 -2.683 1.901 -2.345 1.00 0.81 H new ATOM 0 HG21 VAL A 74 -1.043 -0.587 -3.148 1.00 1.07 H new ATOM 0 HG22 VAL A 74 -2.472 -0.660 -2.091 1.00 1.07 H new ATOM 0 HG23 VAL A 74 -2.407 -1.649 -3.568 1.00 1.07 H new ATOM 1061 N GLU A 75 -5.352 2.086 -5.280 1.00 0.33 N ATOM 1062 CA GLU A 75 -5.751 2.736 -6.525 1.00 0.46 C ATOM 1063 C GLU A 75 -4.621 3.601 -7.063 1.00 0.50 C ATOM 1064 O GLU A 75 -3.659 3.902 -6.346 1.00 0.45 O ATOM 1065 CB GLU A 75 -6.993 3.615 -6.344 1.00 0.54 C ATOM 1066 CG GLU A 75 -8.312 2.864 -6.377 1.00 0.98 C ATOM 1067 CD GLU A 75 -8.674 2.248 -5.047 1.00 1.41 C ATOM 1068 OE1 GLU A 75 -9.194 2.972 -4.178 1.00 1.87 O ATOM 1069 OE2 GLU A 75 -8.410 1.040 -4.861 1.00 1.85 O ATOM 0 H GLU A 75 -5.539 2.632 -4.439 1.00 0.33 H new ATOM 0 HA GLU A 75 -5.986 1.939 -7.231 1.00 0.46 H new ATOM 0 HB2 GLU A 75 -6.914 4.141 -5.393 1.00 0.54 H new ATOM 0 HB3 GLU A 75 -7.002 4.373 -7.127 1.00 0.54 H new ATOM 0 HG2 GLU A 75 -9.105 3.547 -6.683 1.00 0.98 H new ATOM 0 HG3 GLU A 75 -8.258 2.080 -7.132 1.00 0.98 H new ATOM 1076 N ASP A 76 -4.757 4.006 -8.327 1.00 0.61 N ATOM 1077 CA ASP A 76 -3.787 4.885 -8.977 1.00 0.65 C ATOM 1078 C ASP A 76 -2.437 4.193 -9.081 1.00 0.67 C ATOM 1079 O ASP A 76 -2.368 2.969 -9.188 1.00 0.69 O ATOM 1080 CB ASP A 76 -3.640 6.208 -8.206 1.00 0.61 C ATOM 1081 CG ASP A 76 -4.925 7.003 -8.143 1.00 1.10 C ATOM 1082 OD1 ASP A 76 -5.603 6.969 -7.096 1.00 1.94 O ATOM 1083 OD2 ASP A 76 -5.261 7.675 -9.139 1.00 1.15 O ATOM 0 H ASP A 76 -5.538 3.735 -8.925 1.00 0.61 H new ATOM 0 HA ASP A 76 -4.152 5.109 -9.979 1.00 0.65 H new ATOM 0 HB2 ASP A 76 -3.301 5.995 -7.192 1.00 0.61 H new ATOM 0 HB3 ASP A 76 -2.868 6.814 -8.680 1.00 0.61 H new ATOM 1088 N ASP A 77 -1.367 4.969 -9.058 1.00 0.70 N ATOM 1089 CA ASP A 77 -0.024 4.404 -8.995 1.00 0.77 C ATOM 1090 C ASP A 77 0.309 4.002 -7.565 1.00 0.67 C ATOM 1091 O ASP A 77 1.427 3.579 -7.270 1.00 0.81 O ATOM 1092 CB ASP A 77 1.022 5.398 -9.504 1.00 0.89 C ATOM 1093 CG ASP A 77 0.965 5.592 -11.002 1.00 1.36 C ATOM 1094 OD1 ASP A 77 1.616 4.817 -11.734 1.00 1.59 O ATOM 1095 OD2 ASP A 77 0.254 6.513 -11.456 1.00 2.12 O ATOM 0 H ASP A 77 -1.398 5.988 -9.082 1.00 0.70 H new ATOM 0 HA ASP A 77 -0.003 3.523 -9.637 1.00 0.77 H new ATOM 0 HB2 ASP A 77 0.873 6.359 -9.012 1.00 0.89 H new ATOM 0 HB3 ASP A 77 2.016 5.048 -9.225 1.00 0.89 H new ATOM 1100 N GLY A 78 -0.672 4.127 -6.682 1.00 0.51 N ATOM 1101 CA GLY A 78 -0.455 3.810 -5.291 1.00 0.44 C ATOM 1102 C GLY A 78 -0.663 5.002 -4.381 1.00 0.33 C ATOM 1103 O GLY A 78 -0.106 5.052 -3.292 1.00 0.35 O ATOM 0 H GLY A 78 -1.615 4.443 -6.908 1.00 0.51 H new ATOM 0 HA2 GLY A 78 -1.133 3.009 -4.995 1.00 0.44 H new ATOM 0 HA3 GLY A 78 0.559 3.433 -5.163 1.00 0.44 H new ATOM 1107 N LEU A 79 -1.451 5.976 -4.830 1.00 0.27 N ATOM 1108 CA LEU A 79 -1.686 7.182 -4.040 1.00 0.22 C ATOM 1109 C LEU A 79 -2.813 6.983 -3.040 1.00 0.19 C ATOM 1110 O LEU A 79 -2.922 7.723 -2.064 1.00 0.22 O ATOM 1111 CB LEU A 79 -2.028 8.372 -4.934 1.00 0.26 C ATOM 1112 CG LEU A 79 -0.987 8.730 -5.999 1.00 0.32 C ATOM 1113 CD1 LEU A 79 -1.439 9.942 -6.796 1.00 1.10 C ATOM 1114 CD2 LEU A 79 0.368 8.990 -5.363 1.00 0.94 C ATOM 0 H LEU A 79 -1.934 5.955 -5.728 1.00 0.27 H new ATOM 0 HA LEU A 79 -0.761 7.386 -3.501 1.00 0.22 H new ATOM 0 HB2 LEU A 79 -2.975 8.166 -5.434 1.00 0.26 H new ATOM 0 HB3 LEU A 79 -2.186 9.245 -4.300 1.00 0.26 H new ATOM 0 HG LEU A 79 -0.889 7.883 -6.678 1.00 0.32 H new ATOM 0 HD11 LEU A 79 -0.688 10.183 -7.548 1.00 1.10 H new ATOM 0 HD12 LEU A 79 -2.387 9.722 -7.287 1.00 1.10 H new ATOM 0 HD13 LEU A 79 -1.566 10.792 -6.125 1.00 1.10 H new ATOM 0 HD21 LEU A 79 1.091 9.242 -6.138 1.00 0.94 H new ATOM 0 HD22 LEU A 79 0.287 9.818 -4.659 1.00 0.94 H new ATOM 0 HD23 LEU A 79 0.699 8.096 -4.835 1.00 0.94 H new ATOM 1126 N VAL A 80 -3.667 6.009 -3.295 1.00 0.19 N ATOM 1127 CA VAL A 80 -4.783 5.728 -2.405 1.00 0.20 C ATOM 1128 C VAL A 80 -4.806 4.251 -2.056 1.00 0.20 C ATOM 1129 O VAL A 80 -5.212 3.419 -2.868 1.00 0.27 O ATOM 1130 CB VAL A 80 -6.136 6.136 -3.028 1.00 0.27 C ATOM 1131 CG1 VAL A 80 -7.277 5.883 -2.052 1.00 0.28 C ATOM 1132 CG2 VAL A 80 -6.116 7.598 -3.456 1.00 0.33 C ATOM 0 H VAL A 80 -3.611 5.398 -4.110 1.00 0.19 H new ATOM 0 HA VAL A 80 -4.640 6.321 -1.502 1.00 0.20 H new ATOM 0 HB VAL A 80 -6.298 5.522 -3.914 1.00 0.27 H new ATOM 0 HG11 VAL A 80 -8.221 6.177 -2.511 1.00 0.28 H new ATOM 0 HG12 VAL A 80 -7.311 4.823 -1.799 1.00 0.28 H new ATOM 0 HG13 VAL A 80 -7.117 6.467 -1.146 1.00 0.28 H new ATOM 0 HG21 VAL A 80 -7.079 7.863 -3.892 1.00 0.33 H new ATOM 0 HG22 VAL A 80 -5.925 8.229 -2.588 1.00 0.33 H new ATOM 0 HG23 VAL A 80 -5.329 7.750 -4.195 1.00 0.33 H new ATOM 1142 N GLY A 81 -4.350 3.929 -0.859 1.00 0.18 N ATOM 1143 CA GLY A 81 -4.258 2.545 -0.459 1.00 0.21 C ATOM 1144 C GLY A 81 -5.376 2.123 0.466 1.00 0.20 C ATOM 1145 O GLY A 81 -5.773 2.870 1.361 1.00 0.26 O ATOM 0 H GLY A 81 -4.042 4.602 -0.157 1.00 0.18 H new ATOM 0 HA2 GLY A 81 -4.271 1.914 -1.348 1.00 0.21 H new ATOM 0 HA3 GLY A 81 -3.301 2.378 0.036 1.00 0.21 H new ATOM 1149 N ILE A 82 -5.873 0.920 0.242 1.00 0.18 N ATOM 1150 CA ILE A 82 -6.926 0.344 1.053 1.00 0.17 C ATOM 1151 C ILE A 82 -6.324 -0.549 2.124 1.00 0.17 C ATOM 1152 O ILE A 82 -5.595 -1.496 1.816 1.00 0.19 O ATOM 1153 CB ILE A 82 -7.927 -0.477 0.193 1.00 0.19 C ATOM 1154 CG1 ILE A 82 -9.013 0.424 -0.397 1.00 0.26 C ATOM 1155 CG2 ILE A 82 -8.557 -1.604 0.998 1.00 0.20 C ATOM 1156 CD1 ILE A 82 -8.501 1.408 -1.417 1.00 0.30 C ATOM 0 H ILE A 82 -5.554 0.313 -0.513 1.00 0.18 H new ATOM 0 HA ILE A 82 -7.473 1.164 1.519 1.00 0.17 H new ATOM 0 HB ILE A 82 -7.362 -0.920 -0.627 1.00 0.19 H new ATOM 0 HG12 ILE A 82 -9.777 -0.200 -0.860 1.00 0.26 H new ATOM 0 HG13 ILE A 82 -9.496 0.972 0.412 1.00 0.26 H new ATOM 0 HG21 ILE A 82 -9.252 -2.158 0.367 1.00 0.20 H new ATOM 0 HG22 ILE A 82 -7.777 -2.276 1.356 1.00 0.20 H new ATOM 0 HG23 ILE A 82 -9.095 -1.187 1.849 1.00 0.20 H new ATOM 0 HD11 ILE A 82 -9.330 2.011 -1.789 1.00 0.30 H new ATOM 0 HD12 ILE A 82 -7.758 2.058 -0.955 1.00 0.30 H new ATOM 0 HD13 ILE A 82 -8.044 0.868 -2.246 1.00 0.30 H new ATOM 1168 N ASN A 83 -6.608 -0.213 3.373 1.00 0.18 N ATOM 1169 CA ASN A 83 -6.226 -1.042 4.510 1.00 0.21 C ATOM 1170 C ASN A 83 -4.715 -1.202 4.584 1.00 0.22 C ATOM 1171 O ASN A 83 -4.198 -2.310 4.721 1.00 0.29 O ATOM 1172 CB ASN A 83 -6.918 -2.407 4.426 1.00 0.23 C ATOM 1173 CG ASN A 83 -8.398 -2.317 4.738 1.00 0.28 C ATOM 1174 OD1 ASN A 83 -8.840 -1.426 5.466 1.00 0.34 O ATOM 1175 ND2 ASN A 83 -9.176 -3.239 4.199 1.00 0.29 N ATOM 0 H ASN A 83 -7.108 0.639 3.628 1.00 0.18 H new ATOM 0 HA ASN A 83 -6.551 -0.545 5.424 1.00 0.21 H new ATOM 0 HB2 ASN A 83 -6.783 -2.820 3.426 1.00 0.23 H new ATOM 0 HB3 ASN A 83 -6.443 -3.097 5.123 1.00 0.23 H new ATOM 0 HD21 ASN A 83 -10.180 -3.229 4.380 1.00 0.29 H new ATOM 0 HD22 ASN A 83 -8.773 -3.961 3.601 1.00 0.29 H new ATOM 1182 N CYS A 84 -4.016 -0.084 4.483 1.00 0.22 N ATOM 1183 CA CYS A 84 -2.565 -0.082 4.543 1.00 0.23 C ATOM 1184 C CYS A 84 -2.090 -0.088 5.988 1.00 0.25 C ATOM 1185 O CYS A 84 -2.281 0.880 6.725 1.00 0.33 O ATOM 1186 CB CYS A 84 -2.006 1.140 3.817 1.00 0.26 C ATOM 1187 SG CYS A 84 -2.586 1.315 2.102 1.00 0.81 S ATOM 0 H CYS A 84 -4.433 0.838 4.358 1.00 0.22 H new ATOM 0 HA CYS A 84 -2.201 -0.984 4.051 1.00 0.23 H new ATOM 0 HB2 CYS A 84 -2.278 2.036 4.374 1.00 0.26 H new ATOM 0 HB3 CYS A 84 -0.918 1.083 3.817 1.00 0.26 H new ATOM 1192 N THR A 85 -1.497 -1.196 6.391 1.00 0.25 N ATOM 1193 CA THR A 85 -0.960 -1.337 7.731 1.00 0.28 C ATOM 1194 C THR A 85 0.564 -1.246 7.693 1.00 0.24 C ATOM 1195 O THR A 85 1.210 -1.932 6.898 1.00 0.23 O ATOM 1196 CB THR A 85 -1.393 -2.683 8.343 1.00 0.36 C ATOM 1197 OG1 THR A 85 -2.814 -2.833 8.214 1.00 0.43 O ATOM 1198 CG2 THR A 85 -1.005 -2.770 9.810 1.00 0.44 C ATOM 0 H THR A 85 -1.374 -2.020 5.802 1.00 0.25 H new ATOM 0 HA THR A 85 -1.350 -0.530 8.352 1.00 0.28 H new ATOM 0 HB THR A 85 -0.883 -3.483 7.806 1.00 0.36 H new ATOM 0 HG1 THR A 85 -3.089 -3.690 8.602 1.00 0.43 H new ATOM 0 HG21 THR A 85 -1.324 -3.731 10.214 1.00 0.44 H new ATOM 0 HG22 THR A 85 0.077 -2.676 9.906 1.00 0.44 H new ATOM 0 HG23 THR A 85 -1.489 -1.965 10.363 1.00 0.44 H new ATOM 1206 N PRO A 86 1.155 -0.371 8.527 1.00 0.26 N ATOM 1207 CA PRO A 86 2.607 -0.172 8.577 1.00 0.28 C ATOM 1208 C PRO A 86 3.347 -1.449 8.940 1.00 0.33 C ATOM 1209 O PRO A 86 3.067 -2.079 9.959 1.00 0.39 O ATOM 1210 CB PRO A 86 2.792 0.890 9.665 1.00 0.37 C ATOM 1211 CG PRO A 86 1.468 1.561 9.760 1.00 0.35 C ATOM 1212 CD PRO A 86 0.461 0.490 9.496 1.00 0.29 C ATOM 0 HA PRO A 86 3.011 0.127 7.610 1.00 0.28 H new ATOM 0 HB2 PRO A 86 3.077 0.439 10.615 1.00 0.37 H new ATOM 0 HB3 PRO A 86 3.577 1.598 9.399 1.00 0.37 H new ATOM 0 HG2 PRO A 86 1.322 2.004 10.745 1.00 0.35 H new ATOM 0 HG3 PRO A 86 1.383 2.368 9.032 1.00 0.35 H new ATOM 0 HD2 PRO A 86 0.198 -0.052 10.404 1.00 0.29 H new ATOM 0 HD3 PRO A 86 -0.465 0.896 9.088 1.00 0.29 H new ATOM 1220 N ILE A 87 4.288 -1.822 8.093 1.00 0.37 N ATOM 1221 CA ILE A 87 5.023 -3.055 8.255 1.00 0.47 C ATOM 1222 C ILE A 87 6.357 -2.812 8.961 1.00 0.57 C ATOM 1223 O ILE A 87 6.827 -1.674 9.037 1.00 0.56 O ATOM 1224 CB ILE A 87 5.262 -3.708 6.885 1.00 0.47 C ATOM 1225 CG1 ILE A 87 5.815 -2.689 5.890 1.00 0.41 C ATOM 1226 CG2 ILE A 87 3.965 -4.309 6.365 1.00 0.53 C ATOM 1227 CD1 ILE A 87 6.364 -3.312 4.629 1.00 0.49 C ATOM 0 H ILE A 87 4.562 -1.277 7.275 1.00 0.37 H new ATOM 0 HA ILE A 87 4.429 -3.727 8.875 1.00 0.47 H new ATOM 0 HB ILE A 87 5.999 -4.503 7.001 1.00 0.47 H new ATOM 0 HG12 ILE A 87 5.024 -1.987 5.624 1.00 0.41 H new ATOM 0 HG13 ILE A 87 6.604 -2.112 6.374 1.00 0.41 H new ATOM 0 HG21 ILE A 87 4.142 -4.770 5.393 1.00 0.53 H new ATOM 0 HG22 ILE A 87 3.607 -5.064 7.065 1.00 0.53 H new ATOM 0 HG23 ILE A 87 3.215 -3.524 6.263 1.00 0.53 H new ATOM 0 HD11 ILE A 87 6.739 -2.529 3.970 1.00 0.49 H new ATOM 0 HD12 ILE A 87 7.177 -3.992 4.883 1.00 0.49 H new ATOM 0 HD13 ILE A 87 5.573 -3.865 4.122 1.00 0.49 H new ATOM 1239 N PRO A 88 6.978 -3.873 9.500 1.00 0.73 N ATOM 1240 CA PRO A 88 8.240 -3.777 10.228 1.00 0.86 C ATOM 1241 C PRO A 88 9.415 -3.500 9.305 1.00 0.92 C ATOM 1242 O PRO A 88 9.429 -3.925 8.148 1.00 0.96 O ATOM 1243 CB PRO A 88 8.391 -5.159 10.877 1.00 1.05 C ATOM 1244 CG PRO A 88 7.057 -5.795 10.741 1.00 1.04 C ATOM 1245 CD PRO A 88 6.519 -5.261 9.456 1.00 0.85 C ATOM 0 HA PRO A 88 8.232 -2.955 10.944 1.00 0.86 H new ATOM 0 HB2 PRO A 88 9.161 -5.747 10.378 1.00 1.05 H new ATOM 0 HB3 PRO A 88 8.683 -5.074 11.924 1.00 1.05 H new ATOM 0 HG2 PRO A 88 7.136 -6.882 10.717 1.00 1.04 H new ATOM 0 HG3 PRO A 88 6.408 -5.541 11.579 1.00 1.04 H new ATOM 0 HD2 PRO A 88 6.914 -5.796 8.592 1.00 0.85 H new ATOM 0 HD3 PRO A 88 5.432 -5.332 9.405 1.00 0.85 H new