USER MOD reduce.3.24.130724 H: found=0, std=0, add=970, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 970 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 NoAdj-H: A 46 HIS HD1 : A 46 HIS ND1 : A 121 CU1CU :(H bumps) USER MOD NoAdj-H: A 83 HIS HE2 : A 83 HIS NE2 : A 121 CU1CU :(H bumps) USER MOD Set 1.1: A 50 MET CE :methyl -137:sc= 0 (180deg=0) USER MOD Set 1.2: A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 159:sc= 2.36 (180deg=1.58) USER MOD Single : A 2 SER OG : rot 180:sc= 0.00176 USER MOD Single : A 4 THR OG1 : rot -160:sc= -0.247 USER MOD Single : A 11 SER OG : rot -177:sc= 1.27 USER MOD Single : A 15 ASN : amide:sc= 0.171 K(o=0.17,f=-4.1!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -88:sc= 1.09 USER MOD Single : A 24 ASN : amide:sc= -0.637 K(o=-0.64,f=-3) USER MOD Single : A 37 THR OG1 : rot 92:sc= 0.271 USER MOD Single : A 48 THR OG1 : rot 3:sc= 0.147! USER MOD Single : A 56 LYS NZ :NH3+ -153:sc= 0.88 (180deg=-1.54!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl -169:sc= 0 (180deg=-0.253) USER MOD Single : A 72 LYS NZ :NH3+ -111:sc= 2.03 (180deg=0.752) USER MOD Single : A 78 LYS NZ :NH3+ -161:sc= 0.714 (180deg=-0.00246) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ -147:sc= -0.637 (180deg=-1.35!) USER MOD Single : A 94 LYS NZ :NH3+ 164:sc= 1.27 (180deg=1.09) USER MOD Single : A 109 LYS NZ :NH3+ 173:sc= 0.988 (180deg=0.935) USER MOD Single : A 112 LYS NZ :NH3+ -153:sc= 0.362 (180deg=-0.776!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.821 -1.733 15.327 1.00 8.41 N ATOM 2 CA GLY A 1 8.420 -0.405 15.565 1.00 8.57 C ATOM 3 C GLY A 1 8.478 -0.164 17.058 1.00 8.24 C ATOM 4 O GLY A 1 9.278 -0.793 17.733 1.00 8.32 O ATOM 0 H1 GLY A 1 7.448 -1.777 14.357 1.00 8.41 H new ATOM 0 H2 GLY A 1 8.546 -2.468 15.453 1.00 8.41 H new ATOM 0 H3 GLY A 1 7.046 -1.891 16.003 1.00 8.41 H new ATOM 0 HA2 GLY A 1 9.420 -0.358 15.135 1.00 8.57 H new ATOM 0 HA3 GLY A 1 7.828 0.370 15.079 1.00 8.57 H new ATOM 10 N SER A 2 7.544 0.620 17.599 1.00 8.37 N ATOM 11 CA SER A 2 6.817 0.179 18.805 1.00 8.23 C ATOM 12 C SER A 2 5.869 -0.958 18.362 1.00 7.21 C ATOM 13 O SER A 2 6.283 -1.852 17.624 1.00 6.74 O ATOM 14 CB SER A 2 6.111 1.398 19.434 1.00 9.38 C ATOM 15 OG SER A 2 5.478 1.059 20.654 1.00 10.59 O ATOM 0 H SER A 2 7.274 1.536 17.240 1.00 8.37 H new ATOM 0 HA SER A 2 7.466 -0.217 19.586 1.00 8.23 H new ATOM 0 HB2 SER A 2 6.838 2.191 19.608 1.00 9.38 H new ATOM 0 HB3 SER A 2 5.372 1.791 18.736 1.00 9.38 H new ATOM 0 HG SER A 2 5.041 1.853 21.028 1.00 10.59 H new ATOM 21 N PHE A 3 4.575 -0.870 18.652 1.00 7.32 N ATOM 22 CA PHE A 3 3.578 -1.228 17.649 1.00 6.63 C ATOM 23 C PHE A 3 3.520 -0.079 16.636 1.00 6.25 C ATOM 24 O PHE A 3 3.194 1.058 16.990 1.00 7.16 O ATOM 25 CB PHE A 3 2.225 -1.501 18.310 1.00 7.72 C ATOM 26 CG PHE A 3 1.675 -0.404 19.208 1.00 8.74 C ATOM 27 CD1 PHE A 3 2.268 -0.131 20.460 1.00 9.22 C ATOM 28 CD2 PHE A 3 0.555 0.342 18.793 1.00 9.68 C ATOM 29 CE1 PHE A 3 1.738 0.879 21.285 1.00 10.41 C ATOM 30 CE2 PHE A 3 0.028 1.350 19.616 1.00 10.88 C ATOM 31 CZ PHE A 3 0.617 1.618 20.865 1.00 11.16 C ATOM 0 H PHE A 3 4.199 -0.562 19.549 1.00 7.32 H new ATOM 0 HA PHE A 3 3.847 -2.149 17.132 1.00 6.63 H new ATOM 0 HB2 PHE A 3 1.495 -1.697 17.525 1.00 7.72 H new ATOM 0 HB3 PHE A 3 2.311 -2.414 18.900 1.00 7.72 H new ATOM 0 HD1 PHE A 3 3.128 -0.697 20.785 1.00 9.22 H new ATOM 0 HD2 PHE A 3 0.099 0.137 17.836 1.00 9.68 H new ATOM 0 HE1 PHE A 3 2.193 1.087 22.242 1.00 10.41 H new ATOM 0 HE2 PHE A 3 -0.830 1.920 19.290 1.00 10.88 H new ATOM 0 HZ PHE A 3 0.209 2.390 21.501 1.00 11.16 H new ATOM 41 N THR A 4 3.936 -0.335 15.393 1.00 5.30 N ATOM 42 CA THR A 4 4.111 0.673 14.333 1.00 5.41 C ATOM 43 C THR A 4 4.196 -0.046 12.990 1.00 3.87 C ATOM 44 O THR A 4 5.209 0.017 12.317 1.00 4.22 O ATOM 45 CB THR A 4 5.344 1.577 14.556 1.00 6.73 C ATOM 46 OG1 THR A 4 5.552 1.876 15.916 1.00 8.00 O ATOM 47 CG2 THR A 4 5.131 2.904 13.839 1.00 7.99 C ATOM 0 H THR A 4 4.169 -1.278 15.082 1.00 5.30 H new ATOM 0 HA THR A 4 3.250 1.341 14.352 1.00 5.41 H new ATOM 0 HB THR A 4 6.207 1.033 14.173 1.00 6.73 H new ATOM 0 HG1 THR A 4 6.115 2.674 15.993 1.00 8.00 H new ATOM 0 HG21 THR A 4 5.999 3.545 13.994 1.00 7.99 H new ATOM 0 HG22 THR A 4 4.999 2.724 12.772 1.00 7.99 H new ATOM 0 HG23 THR A 4 4.243 3.394 14.237 1.00 7.99 H new ATOM 55 N GLU A 5 3.164 -0.804 12.643 1.00 2.82 N ATOM 56 CA GLU A 5 3.126 -1.697 11.484 1.00 1.55 C ATOM 57 C GLU A 5 1.867 -1.386 10.636 1.00 1.41 C ATOM 58 O GLU A 5 1.182 -0.397 10.909 1.00 2.23 O ATOM 59 CB GLU A 5 3.250 -3.155 11.979 1.00 2.01 C ATOM 60 CG GLU A 5 4.704 -3.622 12.223 1.00 2.95 C ATOM 61 CD GLU A 5 5.501 -2.885 13.313 1.00 3.95 C ATOM 62 OE1 GLU A 5 5.005 -2.694 14.447 1.00 4.65 O ATOM 63 OE2 GLU A 5 6.666 -2.506 13.053 1.00 4.78 O ATOM 0 H GLU A 5 2.296 -0.817 13.179 1.00 2.82 H new ATOM 0 HA GLU A 5 3.968 -1.538 10.810 1.00 1.55 H new ATOM 0 HB2 GLU A 5 2.686 -3.261 12.906 1.00 2.01 H new ATOM 0 HB3 GLU A 5 2.786 -3.816 11.247 1.00 2.01 H new ATOM 0 HG2 GLU A 5 4.681 -4.681 12.478 1.00 2.95 H new ATOM 0 HG3 GLU A 5 5.251 -3.532 11.284 1.00 2.95 H new ATOM 70 N GLY A 6 1.596 -2.144 9.563 1.00 0.95 N ATOM 71 CA GLY A 6 0.628 -1.753 8.529 1.00 0.78 C ATOM 72 C GLY A 6 -0.793 -2.258 8.771 1.00 0.65 C ATOM 73 O GLY A 6 -1.048 -3.024 9.693 1.00 0.81 O ATOM 0 H GLY A 6 2.042 -3.045 9.388 1.00 0.95 H new ATOM 0 HA2 GLY A 6 0.607 -0.665 8.461 1.00 0.78 H new ATOM 0 HA3 GLY A 6 0.974 -2.126 7.565 1.00 0.78 H new ATOM 77 N TRP A 7 -1.705 -1.879 7.872 1.00 0.57 N ATOM 78 CA TRP A 7 -3.120 -2.250 7.901 1.00 0.55 C ATOM 79 C TRP A 7 -3.762 -2.193 6.504 1.00 0.49 C ATOM 80 O TRP A 7 -3.590 -1.229 5.751 1.00 0.58 O ATOM 81 CB TRP A 7 -3.890 -1.354 8.879 1.00 0.75 C ATOM 82 CG TRP A 7 -3.964 0.101 8.522 1.00 0.85 C ATOM 83 CD1 TRP A 7 -4.988 0.698 7.874 1.00 1.16 C ATOM 84 CD2 TRP A 7 -2.967 1.146 8.743 1.00 1.08 C ATOM 85 NE1 TRP A 7 -4.699 2.033 7.672 1.00 1.58 N ATOM 86 CE2 TRP A 7 -3.453 2.358 8.169 1.00 1.57 C ATOM 87 CE3 TRP A 7 -1.701 1.189 9.361 1.00 1.11 C ATOM 88 CZ2 TRP A 7 -2.711 3.547 8.193 1.00 2.04 C ATOM 89 CZ3 TRP A 7 -0.946 2.374 9.390 1.00 1.57 C ATOM 90 CH2 TRP A 7 -1.449 3.552 8.813 1.00 2.01 C ATOM 0 H TRP A 7 -1.469 -1.285 7.077 1.00 0.57 H new ATOM 0 HA TRP A 7 -3.176 -3.283 8.244 1.00 0.55 H new ATOM 0 HB2 TRP A 7 -4.906 -1.738 8.968 1.00 0.75 H new ATOM 0 HB3 TRP A 7 -3.428 -1.443 9.862 1.00 0.75 H new ATOM 0 HD1 TRP A 7 -5.896 0.205 7.561 1.00 1.16 H new ATOM 0 HE1 TRP A 7 -5.326 2.694 7.214 1.00 1.58 H new ATOM 0 HE3 TRP A 7 -1.304 0.296 9.820 1.00 1.11 H new ATOM 0 HZ2 TRP A 7 -3.103 4.446 7.742 1.00 2.04 H new ATOM 0 HZ3 TRP A 7 0.027 2.379 9.859 1.00 1.57 H new ATOM 0 HH2 TRP A 7 -0.867 4.461 8.846 1.00 2.01 H new ATOM 101 N VAL A 8 -4.597 -3.170 6.167 1.00 0.73 N ATOM 102 CA VAL A 8 -5.472 -3.092 4.989 1.00 0.78 C ATOM 103 C VAL A 8 -6.651 -2.184 5.355 1.00 0.82 C ATOM 104 O VAL A 8 -7.092 -2.155 6.504 1.00 0.86 O ATOM 105 CB VAL A 8 -5.906 -4.499 4.529 1.00 0.83 C ATOM 106 CG1 VAL A 8 -7.002 -4.472 3.452 1.00 0.98 C ATOM 107 CG2 VAL A 8 -4.689 -5.264 3.983 1.00 0.91 C ATOM 0 H VAL A 8 -4.691 -4.037 6.696 1.00 0.73 H new ATOM 0 HA VAL A 8 -4.948 -2.663 4.135 1.00 0.78 H new ATOM 0 HB VAL A 8 -6.321 -4.998 5.404 1.00 0.83 H new ATOM 0 HG11 VAL A 8 -7.262 -5.493 3.172 1.00 0.98 H new ATOM 0 HG12 VAL A 8 -7.885 -3.967 3.844 1.00 0.98 H new ATOM 0 HG13 VAL A 8 -6.637 -3.937 2.575 1.00 0.98 H new ATOM 0 HG21 VAL A 8 -4.999 -6.257 3.659 1.00 0.91 H new ATOM 0 HG22 VAL A 8 -4.268 -4.721 3.137 1.00 0.91 H new ATOM 0 HG23 VAL A 8 -3.936 -5.356 4.766 1.00 0.91 H new ATOM 117 N ARG A 9 -7.120 -1.372 4.403 1.00 0.91 N ATOM 118 CA ARG A 9 -8.213 -0.432 4.651 1.00 0.99 C ATOM 119 C ARG A 9 -9.565 -1.128 4.474 1.00 1.07 C ATOM 120 O ARG A 9 -9.829 -1.722 3.429 1.00 2.11 O ATOM 121 CB ARG A 9 -8.083 0.809 3.747 1.00 1.12 C ATOM 122 CG ARG A 9 -8.487 2.087 4.498 1.00 1.44 C ATOM 123 CD ARG A 9 -7.372 2.512 5.464 1.00 3.30 C ATOM 124 NE ARG A 9 -7.804 3.575 6.383 1.00 3.83 N ATOM 125 CZ ARG A 9 -8.102 3.417 7.667 1.00 5.34 C ATOM 126 NH1 ARG A 9 -8.081 2.255 8.282 1.00 6.65 N ATOM 127 NH2 ARG A 9 -8.452 4.446 8.395 1.00 5.98 N ATOM 0 H ARG A 9 -6.757 -1.348 3.450 1.00 0.91 H new ATOM 0 HA ARG A 9 -8.152 -0.087 5.683 1.00 0.99 H new ATOM 0 HB2 ARG A 9 -7.055 0.900 3.395 1.00 1.12 H new ATOM 0 HB3 ARG A 9 -8.712 0.688 2.865 1.00 1.12 H new ATOM 0 HG2 ARG A 9 -8.686 2.888 3.786 1.00 1.44 H new ATOM 0 HG3 ARG A 9 -9.411 1.916 5.051 1.00 1.44 H new ATOM 0 HD2 ARG A 9 -7.045 1.647 6.041 1.00 3.30 H new ATOM 0 HD3 ARG A 9 -6.511 2.857 4.892 1.00 3.30 H new ATOM 0 HE ARG A 9 -7.882 4.517 6.000 1.00 3.83 H new ATOM 0 HH11 ARG A 9 -7.825 1.411 7.769 1.00 6.65 H new ATOM 0 HH12 ARG A 9 -8.320 2.197 9.272 1.00 6.65 H new ATOM 0 HH21 ARG A 9 -8.497 5.375 7.977 1.00 5.98 H new ATOM 0 HH22 ARG A 9 -8.680 4.319 9.381 1.00 5.98 H new ATOM 141 N PHE A 10 -10.417 -1.015 5.495 1.00 0.76 N ATOM 142 CA PHE A 10 -11.808 -1.466 5.483 1.00 0.74 C ATOM 143 C PHE A 10 -12.533 -1.070 4.188 1.00 0.84 C ATOM 144 O PHE A 10 -12.422 0.071 3.738 1.00 1.18 O ATOM 145 CB PHE A 10 -12.514 -0.839 6.700 1.00 1.14 C ATOM 146 CG PHE A 10 -14.025 -0.992 6.704 1.00 1.12 C ATOM 147 CD1 PHE A 10 -14.825 -0.138 5.920 1.00 2.00 C ATOM 148 CD2 PHE A 10 -14.629 -2.024 7.443 1.00 1.39 C ATOM 149 CE1 PHE A 10 -16.202 -0.377 5.793 1.00 2.03 C ATOM 150 CE2 PHE A 10 -16.015 -2.246 7.342 1.00 1.52 C ATOM 151 CZ PHE A 10 -16.798 -1.433 6.502 1.00 1.34 C ATOM 0 H PHE A 10 -10.147 -0.592 6.383 1.00 0.76 H new ATOM 0 HA PHE A 10 -11.831 -2.555 5.533 1.00 0.74 H new ATOM 0 HB2 PHE A 10 -12.114 -1.291 7.608 1.00 1.14 H new ATOM 0 HB3 PHE A 10 -12.270 0.223 6.738 1.00 1.14 H new ATOM 0 HD1 PHE A 10 -14.377 0.704 5.414 1.00 2.00 H new ATOM 0 HD2 PHE A 10 -14.029 -2.647 8.089 1.00 1.39 H new ATOM 0 HE1 PHE A 10 -16.803 0.250 5.151 1.00 2.03 H new ATOM 0 HE2 PHE A 10 -16.478 -3.040 7.909 1.00 1.52 H new ATOM 0 HZ PHE A 10 -17.857 -1.621 6.402 1.00 1.34 H new ATOM 161 N SER A 11 -13.386 -1.956 3.673 1.00 0.83 N ATOM 162 CA SER A 11 -14.361 -1.611 2.630 1.00 1.11 C ATOM 163 C SER A 11 -15.647 -2.447 2.761 1.00 1.08 C ATOM 164 O SER A 11 -15.586 -3.594 3.218 1.00 1.39 O ATOM 165 CB SER A 11 -13.727 -1.797 1.242 1.00 1.67 C ATOM 166 OG SER A 11 -14.674 -1.602 0.203 1.00 2.79 O ATOM 0 H SER A 11 -13.423 -2.933 3.965 1.00 0.83 H new ATOM 0 HA SER A 11 -14.641 -0.565 2.755 1.00 1.11 H new ATOM 0 HB2 SER A 11 -12.903 -1.093 1.121 1.00 1.67 H new ATOM 0 HB3 SER A 11 -13.304 -2.799 1.166 1.00 1.67 H new ATOM 0 HG SER A 11 -14.250 -1.778 -0.663 1.00 2.79 H new ATOM 172 N PRO A 12 -16.824 -1.908 2.375 1.00 1.24 N ATOM 173 CA PRO A 12 -18.057 -2.686 2.320 1.00 1.42 C ATOM 174 C PRO A 12 -18.142 -3.585 1.076 1.00 1.48 C ATOM 175 O PRO A 12 -18.853 -4.587 1.122 1.00 2.34 O ATOM 176 CB PRO A 12 -19.175 -1.639 2.330 1.00 1.87 C ATOM 177 CG PRO A 12 -18.555 -0.457 1.590 1.00 2.03 C ATOM 178 CD PRO A 12 -17.090 -0.515 2.020 1.00 1.69 C ATOM 0 HA PRO A 12 -18.123 -3.379 3.159 1.00 1.42 H new ATOM 0 HB2 PRO A 12 -20.071 -2.003 1.828 1.00 1.87 H new ATOM 0 HB3 PRO A 12 -19.466 -1.370 3.346 1.00 1.87 H new ATOM 0 HG2 PRO A 12 -18.663 -0.555 0.510 1.00 2.03 H new ATOM 0 HG3 PRO A 12 -19.022 0.486 1.873 1.00 2.03 H new ATOM 0 HD2 PRO A 12 -16.434 -0.187 1.213 1.00 1.69 H new ATOM 0 HD3 PRO A 12 -16.907 0.145 2.868 1.00 1.69 H new ATOM 186 N GLY A 13 -17.421 -3.239 0.000 1.00 1.12 N ATOM 187 CA GLY A 13 -17.665 -3.706 -1.374 1.00 1.48 C ATOM 188 C GLY A 13 -16.462 -4.366 -2.082 1.00 1.25 C ATOM 189 O GLY A 13 -15.590 -4.909 -1.408 1.00 1.29 O ATOM 0 H GLY A 13 -16.625 -2.605 0.064 1.00 1.12 H new ATOM 0 HA2 GLY A 13 -18.488 -4.421 -1.354 1.00 1.48 H new ATOM 0 HA3 GLY A 13 -17.994 -2.857 -1.973 1.00 1.48 H new ATOM 193 N PRO A 14 -16.441 -4.379 -3.435 1.00 1.22 N ATOM 194 CA PRO A 14 -15.517 -5.178 -4.254 1.00 1.27 C ATOM 195 C PRO A 14 -14.117 -4.573 -4.438 1.00 1.06 C ATOM 196 O PRO A 14 -13.206 -5.249 -4.922 1.00 1.14 O ATOM 197 CB PRO A 14 -16.199 -5.272 -5.619 1.00 1.52 C ATOM 198 CG PRO A 14 -16.987 -3.970 -5.725 1.00 1.51 C ATOM 199 CD PRO A 14 -17.439 -3.737 -4.289 1.00 1.38 C ATOM 0 HA PRO A 14 -15.339 -6.132 -3.757 1.00 1.27 H new ATOM 0 HB2 PRO A 14 -15.470 -5.365 -6.424 1.00 1.52 H new ATOM 0 HB3 PRO A 14 -16.854 -6.141 -5.680 1.00 1.52 H new ATOM 0 HG2 PRO A 14 -16.369 -3.151 -6.093 1.00 1.51 H new ATOM 0 HG3 PRO A 14 -17.833 -4.062 -6.406 1.00 1.51 H new ATOM 0 HD2 PRO A 14 -17.509 -2.671 -4.072 1.00 1.38 H new ATOM 0 HD3 PRO A 14 -18.428 -4.163 -4.119 1.00 1.38 H new ATOM 207 N ASN A 15 -13.954 -3.294 -4.115 1.00 0.93 N ATOM 208 CA ASN A 15 -12.738 -2.514 -4.225 1.00 0.82 C ATOM 209 C ASN A 15 -12.297 -1.902 -2.877 1.00 0.73 C ATOM 210 O ASN A 15 -13.103 -1.619 -1.987 1.00 0.89 O ATOM 211 CB ASN A 15 -12.950 -1.455 -5.315 1.00 1.13 C ATOM 212 CG ASN A 15 -14.191 -0.564 -5.196 1.00 1.49 C ATOM 213 OD1 ASN A 15 -15.117 -0.792 -4.431 1.00 2.41 O ATOM 214 ND2 ASN A 15 -14.237 0.488 -5.993 1.00 1.60 N ATOM 0 H ASN A 15 -14.727 -2.741 -3.744 1.00 0.93 H new ATOM 0 HA ASN A 15 -11.913 -3.167 -4.509 1.00 0.82 H new ATOM 0 HB2 ASN A 15 -12.072 -0.810 -5.334 1.00 1.13 H new ATOM 0 HB3 ASN A 15 -12.992 -1.965 -6.277 1.00 1.13 H new ATOM 0 HD21 ASN A 15 -15.045 1.110 -5.970 1.00 1.60 H new ATOM 0 HD22 ASN A 15 -13.465 0.678 -6.631 1.00 1.60 H new ATOM 221 N ALA A 16 -10.981 -1.705 -2.738 1.00 0.68 N ATOM 222 CA ALA A 16 -10.267 -1.464 -1.486 1.00 0.70 C ATOM 223 C ALA A 16 -8.916 -0.740 -1.691 1.00 0.64 C ATOM 224 O ALA A 16 -8.538 -0.385 -2.808 1.00 0.60 O ATOM 225 CB ALA A 16 -10.092 -2.828 -0.815 1.00 0.90 C ATOM 0 H ALA A 16 -10.354 -1.710 -3.543 1.00 0.68 H new ATOM 0 HA ALA A 16 -10.841 -0.788 -0.853 1.00 0.70 H new ATOM 0 HB1 ALA A 16 -9.562 -2.704 0.129 1.00 0.90 H new ATOM 0 HB2 ALA A 16 -11.071 -3.269 -0.626 1.00 0.90 H new ATOM 0 HB3 ALA A 16 -9.519 -3.485 -1.470 1.00 0.90 H new ATOM 231 N ALA A 17 -8.170 -0.541 -0.604 1.00 0.69 N ATOM 232 CA ALA A 17 -6.818 0.025 -0.564 1.00 0.65 C ATOM 233 C ALA A 17 -6.040 -0.594 0.614 1.00 0.67 C ATOM 234 O ALA A 17 -6.670 -1.046 1.569 1.00 0.84 O ATOM 235 CB ALA A 17 -6.937 1.545 -0.392 1.00 0.66 C ATOM 0 H ALA A 17 -8.511 -0.784 0.326 1.00 0.69 H new ATOM 0 HA ALA A 17 -6.280 -0.196 -1.486 1.00 0.65 H new ATOM 0 HB1 ALA A 17 -5.941 1.987 -0.360 1.00 0.66 H new ATOM 0 HB2 ALA A 17 -7.493 1.964 -1.231 1.00 0.66 H new ATOM 0 HB3 ALA A 17 -7.462 1.766 0.537 1.00 0.66 H new ATOM 241 N ALA A 18 -4.704 -0.577 0.607 1.00 0.56 N ATOM 242 CA ALA A 18 -3.881 -1.145 1.684 1.00 0.56 C ATOM 243 C ALA A 18 -2.650 -0.290 2.011 1.00 0.51 C ATOM 244 O ALA A 18 -1.945 0.165 1.105 1.00 0.55 O ATOM 245 CB ALA A 18 -3.458 -2.558 1.275 1.00 0.60 C ATOM 0 H ALA A 18 -4.157 -0.167 -0.150 1.00 0.56 H new ATOM 0 HA ALA A 18 -4.481 -1.169 2.594 1.00 0.56 H new ATOM 0 HB1 ALA A 18 -2.846 -2.997 2.063 1.00 0.60 H new ATOM 0 HB2 ALA A 18 -4.345 -3.173 1.120 1.00 0.60 H new ATOM 0 HB3 ALA A 18 -2.882 -2.512 0.351 1.00 0.60 H new ATOM 251 N TYR A 19 -2.391 -0.075 3.302 1.00 0.57 N ATOM 252 CA TYR A 19 -1.189 0.578 3.834 1.00 0.57 C ATOM 253 C TYR A 19 -0.308 -0.495 4.499 1.00 0.76 C ATOM 254 O TYR A 19 -0.821 -1.367 5.199 1.00 1.49 O ATOM 255 CB TYR A 19 -1.622 1.674 4.826 1.00 0.62 C ATOM 256 CG TYR A 19 -2.398 2.817 4.186 1.00 0.93 C ATOM 257 CD1 TYR A 19 -3.784 2.702 3.944 1.00 1.49 C ATOM 258 CD2 TYR A 19 -1.726 3.986 3.780 1.00 2.52 C ATOM 259 CE1 TYR A 19 -4.479 3.738 3.284 1.00 1.65 C ATOM 260 CE2 TYR A 19 -2.414 5.030 3.135 1.00 3.04 C ATOM 261 CZ TYR A 19 -3.796 4.909 2.881 1.00 2.06 C ATOM 262 OH TYR A 19 -4.467 5.894 2.219 1.00 2.64 O ATOM 0 H TYR A 19 -3.038 -0.362 4.037 1.00 0.57 H new ATOM 0 HA TYR A 19 -0.606 1.054 3.045 1.00 0.57 H new ATOM 0 HB2 TYR A 19 -2.237 1.223 5.605 1.00 0.62 H new ATOM 0 HB3 TYR A 19 -0.735 2.079 5.314 1.00 0.62 H new ATOM 0 HD1 TYR A 19 -4.315 1.818 4.265 1.00 1.49 H new ATOM 0 HD2 TYR A 19 -0.667 4.083 3.967 1.00 2.52 H new ATOM 0 HE1 TYR A 19 -5.536 3.636 3.086 1.00 1.65 H new ATOM 0 HE2 TYR A 19 -1.885 5.922 2.835 1.00 3.04 H new ATOM 0 HH TYR A 19 -3.852 6.629 2.016 1.00 2.64 H new ATOM 272 N LEU A 20 1.010 -0.494 4.276 1.00 0.85 N ATOM 273 CA LEU A 20 1.844 -1.651 4.645 1.00 0.98 C ATOM 274 C LEU A 20 3.277 -1.275 4.993 1.00 0.98 C ATOM 275 O LEU A 20 3.785 -0.264 4.501 1.00 0.90 O ATOM 276 CB LEU A 20 1.752 -2.739 3.552 1.00 1.19 C ATOM 277 CG LEU A 20 2.459 -2.398 2.221 1.00 1.15 C ATOM 278 CD1 LEU A 20 3.946 -2.793 2.213 1.00 1.66 C ATOM 279 CD2 LEU A 20 1.777 -3.131 1.062 1.00 1.79 C ATOM 0 H LEU A 20 1.519 0.280 3.849 1.00 0.85 H new ATOM 0 HA LEU A 20 1.443 -2.067 5.569 1.00 0.98 H new ATOM 0 HB2 LEU A 20 2.178 -3.662 3.945 1.00 1.19 H new ATOM 0 HB3 LEU A 20 0.700 -2.936 3.346 1.00 1.19 H new ATOM 0 HG LEU A 20 2.387 -1.316 2.108 1.00 1.15 H new ATOM 0 HD11 LEU A 20 4.388 -2.528 1.252 1.00 1.66 H new ATOM 0 HD12 LEU A 20 4.467 -2.263 3.010 1.00 1.66 H new ATOM 0 HD13 LEU A 20 4.038 -3.868 2.371 1.00 1.66 H new ATOM 0 HD21 LEU A 20 2.282 -2.885 0.128 1.00 1.79 H new ATOM 0 HD22 LEU A 20 1.830 -4.207 1.230 1.00 1.79 H new ATOM 0 HD23 LEU A 20 0.733 -2.824 1.002 1.00 1.79 H new ATOM 291 N THR A 21 3.917 -2.144 5.778 1.00 1.27 N ATOM 292 CA THR A 21 5.296 -2.034 6.250 1.00 1.44 C ATOM 293 C THR A 21 6.112 -3.220 5.747 1.00 1.80 C ATOM 294 O THR A 21 5.618 -4.347 5.684 1.00 2.00 O ATOM 295 CB THR A 21 5.305 -1.994 7.785 1.00 1.55 C ATOM 296 OG1 THR A 21 4.551 -0.887 8.212 1.00 1.79 O ATOM 297 CG2 THR A 21 6.689 -1.882 8.418 1.00 1.91 C ATOM 0 H THR A 21 3.460 -2.990 6.120 1.00 1.27 H new ATOM 0 HA THR A 21 5.742 -1.117 5.865 1.00 1.44 H new ATOM 0 HB THR A 21 4.888 -2.948 8.106 1.00 1.55 H new ATOM 0 HG1 THR A 21 5.130 -0.098 8.264 1.00 1.79 H new ATOM 0 HG21 THR A 21 6.592 -1.861 9.503 1.00 1.91 H new ATOM 0 HG22 THR A 21 7.294 -2.740 8.124 1.00 1.91 H new ATOM 0 HG23 THR A 21 7.171 -0.965 8.079 1.00 1.91 H new ATOM 305 N LEU A 22 7.386 -2.933 5.489 1.00 2.11 N ATOM 306 CA LEU A 22 8.540 -3.840 5.479 1.00 2.65 C ATOM 307 C LEU A 22 9.772 -3.007 5.893 1.00 2.02 C ATOM 308 O LEU A 22 9.733 -1.781 5.805 1.00 1.81 O ATOM 309 CB LEU A 22 8.655 -4.520 4.090 1.00 3.69 C ATOM 310 CG LEU A 22 9.929 -5.371 3.858 1.00 4.35 C ATOM 311 CD1 LEU A 22 9.661 -6.587 2.971 1.00 4.34 C ATOM 312 CD2 LEU A 22 11.056 -4.588 3.166 1.00 4.64 C ATOM 0 H LEU A 22 7.665 -1.979 5.262 1.00 2.11 H new ATOM 0 HA LEU A 22 8.442 -4.662 6.188 1.00 2.65 H new ATOM 0 HB2 LEU A 22 7.783 -5.159 3.946 1.00 3.69 H new ATOM 0 HB3 LEU A 22 8.613 -3.746 3.323 1.00 3.69 H new ATOM 0 HG LEU A 22 10.230 -5.671 4.862 1.00 4.35 H new ATOM 0 HD11 LEU A 22 10.584 -7.151 2.838 1.00 4.34 H new ATOM 0 HD12 LEU A 22 8.912 -7.223 3.442 1.00 4.34 H new ATOM 0 HD13 LEU A 22 9.296 -6.255 1.999 1.00 4.34 H new ATOM 0 HD21 LEU A 22 11.921 -5.238 3.031 1.00 4.64 H new ATOM 0 HD22 LEU A 22 10.711 -4.237 2.194 1.00 4.64 H new ATOM 0 HD23 LEU A 22 11.337 -3.733 3.782 1.00 4.64 H new ATOM 324 N GLU A 23 10.881 -3.623 6.303 1.00 1.90 N ATOM 325 CA GLU A 23 12.172 -2.934 6.372 1.00 1.31 C ATOM 326 C GLU A 23 13.287 -3.794 5.772 1.00 1.70 C ATOM 327 O GLU A 23 13.359 -4.999 6.000 1.00 2.58 O ATOM 328 CB GLU A 23 12.467 -2.346 7.766 1.00 1.66 C ATOM 329 CG GLU A 23 12.103 -3.153 9.026 1.00 2.42 C ATOM 330 CD GLU A 23 11.847 -2.185 10.190 1.00 3.15 C ATOM 331 OE1 GLU A 23 12.683 -1.287 10.408 1.00 4.14 O ATOM 332 OE2 GLU A 23 10.752 -2.254 10.788 1.00 3.63 O ATOM 0 H GLU A 23 10.912 -4.600 6.593 1.00 1.90 H new ATOM 0 HA GLU A 23 12.119 -2.048 5.739 1.00 1.31 H new ATOM 0 HB2 GLU A 23 13.536 -2.135 7.811 1.00 1.66 H new ATOM 0 HB3 GLU A 23 11.950 -1.388 7.832 1.00 1.66 H new ATOM 0 HG2 GLU A 23 11.217 -3.760 8.840 1.00 2.42 H new ATOM 0 HG3 GLU A 23 12.911 -3.839 9.279 1.00 2.42 H new ATOM 339 N ASN A 24 14.101 -3.153 4.932 1.00 1.16 N ATOM 340 CA ASN A 24 15.179 -3.729 4.131 1.00 1.18 C ATOM 341 C ASN A 24 16.411 -4.004 5.014 1.00 1.05 C ATOM 342 O ASN A 24 17.078 -3.048 5.428 1.00 0.98 O ATOM 343 CB ASN A 24 15.529 -2.698 3.039 1.00 1.18 C ATOM 344 CG ASN A 24 16.530 -3.218 2.013 1.00 1.20 C ATOM 345 OD1 ASN A 24 17.081 -4.304 2.137 1.00 1.77 O ATOM 346 ND2 ASN A 24 16.789 -2.444 0.975 1.00 1.03 N ATOM 0 H ASN A 24 14.017 -2.147 4.784 1.00 1.16 H new ATOM 0 HA ASN A 24 14.870 -4.676 3.689 1.00 1.18 H new ATOM 0 HB2 ASN A 24 14.615 -2.400 2.525 1.00 1.18 H new ATOM 0 HB3 ASN A 24 15.936 -1.804 3.511 1.00 1.18 H new ATOM 0 HD21 ASN A 24 17.455 -2.749 0.265 1.00 1.03 H new ATOM 0 HD22 ASN A 24 16.323 -1.541 0.883 1.00 1.03 H new ATOM 353 N PRO A 25 16.787 -5.271 5.267 1.00 1.15 N ATOM 354 CA PRO A 25 17.973 -5.587 6.061 1.00 1.15 C ATOM 355 C PRO A 25 19.287 -5.216 5.364 1.00 1.14 C ATOM 356 O PRO A 25 20.284 -4.996 6.046 1.00 1.39 O ATOM 357 CB PRO A 25 17.873 -7.090 6.345 1.00 1.49 C ATOM 358 CG PRO A 25 17.087 -7.612 5.141 1.00 1.60 C ATOM 359 CD PRO A 25 16.099 -6.489 4.863 1.00 1.42 C ATOM 0 HA PRO A 25 17.995 -4.998 6.978 1.00 1.15 H new ATOM 0 HB2 PRO A 25 18.857 -7.554 6.418 1.00 1.49 H new ATOM 0 HB3 PRO A 25 17.356 -7.291 7.283 1.00 1.49 H new ATOM 0 HG2 PRO A 25 17.736 -7.799 4.286 1.00 1.60 H new ATOM 0 HG3 PRO A 25 16.579 -8.550 5.367 1.00 1.60 H new ATOM 0 HD2 PRO A 25 15.826 -6.456 3.808 1.00 1.42 H new ATOM 0 HD3 PRO A 25 15.177 -6.627 5.427 1.00 1.42 H new ATOM 367 N GLY A 26 19.273 -5.058 4.037 1.00 1.08 N ATOM 368 CA GLY A 26 20.207 -4.227 3.290 1.00 1.59 C ATOM 369 C GLY A 26 21.498 -4.906 2.852 1.00 1.25 C ATOM 370 O GLY A 26 22.261 -5.441 3.652 1.00 2.97 O ATOM 0 H GLY A 26 18.588 -5.521 3.440 1.00 1.08 H new ATOM 0 HA2 GLY A 26 19.698 -3.850 2.403 1.00 1.59 H new ATOM 0 HA3 GLY A 26 20.464 -3.362 3.902 1.00 1.59 H new ATOM 374 N ASP A 27 21.751 -4.724 1.565 1.00 1.02 N ATOM 375 CA ASP A 27 22.740 -5.349 0.687 1.00 2.40 C ATOM 376 C ASP A 27 22.609 -4.628 -0.663 1.00 2.34 C ATOM 377 O ASP A 27 23.567 -4.091 -1.215 1.00 2.74 O ATOM 378 CB ASP A 27 22.386 -6.843 0.573 1.00 3.66 C ATOM 379 CG ASP A 27 23.033 -7.531 -0.631 1.00 5.37 C ATOM 380 OD1 ASP A 27 24.217 -7.917 -0.509 1.00 5.83 O ATOM 381 OD2 ASP A 27 22.313 -7.663 -1.649 1.00 6.96 O ATOM 0 H ASP A 27 21.197 -4.047 1.040 1.00 1.02 H new ATOM 0 HA ASP A 27 23.764 -5.273 1.051 1.00 2.40 H new ATOM 0 HB2 ASP A 27 22.698 -7.353 1.484 1.00 3.66 H new ATOM 0 HB3 ASP A 27 21.303 -6.948 0.503 1.00 3.66 H new ATOM 386 N LEU A 28 21.345 -4.481 -1.082 1.00 1.80 N ATOM 387 CA LEU A 28 20.894 -3.803 -2.287 1.00 1.69 C ATOM 388 C LEU A 28 19.825 -2.738 -1.985 1.00 1.09 C ATOM 389 O LEU A 28 19.178 -2.789 -0.928 1.00 0.82 O ATOM 390 CB LEU A 28 20.369 -4.869 -3.267 1.00 2.10 C ATOM 391 CG LEU A 28 18.964 -5.455 -2.976 1.00 2.78 C ATOM 392 CD1 LEU A 28 18.524 -6.322 -4.164 1.00 2.96 C ATOM 393 CD2 LEU A 28 18.867 -6.290 -1.688 1.00 3.88 C ATOM 0 H LEU A 28 20.564 -4.861 -0.546 1.00 1.80 H new ATOM 0 HA LEU A 28 21.730 -3.266 -2.735 1.00 1.69 H new ATOM 0 HB2 LEU A 28 20.355 -4.434 -4.266 1.00 2.10 H new ATOM 0 HB3 LEU A 28 21.083 -5.692 -3.287 1.00 2.10 H new ATOM 0 HG LEU A 28 18.309 -4.596 -2.830 1.00 2.78 H new ATOM 0 HD11 LEU A 28 17.536 -6.737 -3.965 1.00 2.96 H new ATOM 0 HD12 LEU A 28 18.486 -5.711 -5.066 1.00 2.96 H new ATOM 0 HD13 LEU A 28 19.237 -7.134 -4.306 1.00 2.96 H new ATOM 0 HD21 LEU A 28 17.848 -6.658 -1.569 1.00 3.88 H new ATOM 0 HD22 LEU A 28 19.553 -7.135 -1.750 1.00 3.88 H new ATOM 0 HD23 LEU A 28 19.132 -5.670 -0.832 1.00 3.88 H new ATOM 405 N PRO A 29 19.573 -1.808 -2.925 1.00 1.07 N ATOM 406 CA PRO A 29 18.410 -0.941 -2.891 1.00 0.93 C ATOM 407 C PRO A 29 17.195 -1.696 -3.441 1.00 0.87 C ATOM 408 O PRO A 29 17.296 -2.500 -4.371 1.00 0.96 O ATOM 409 CB PRO A 29 18.790 0.265 -3.748 1.00 1.01 C ATOM 410 CG PRO A 29 19.772 -0.300 -4.780 1.00 1.14 C ATOM 411 CD PRO A 29 20.307 -1.600 -4.166 1.00 1.37 C ATOM 0 HA PRO A 29 18.136 -0.621 -1.886 1.00 0.93 H new ATOM 0 HB2 PRO A 29 17.915 0.703 -4.229 1.00 1.01 H new ATOM 0 HB3 PRO A 29 19.251 1.050 -3.148 1.00 1.01 H new ATOM 0 HG2 PRO A 29 19.275 -0.490 -5.731 1.00 1.14 H new ATOM 0 HG3 PRO A 29 20.581 0.403 -4.978 1.00 1.14 H new ATOM 0 HD2 PRO A 29 20.162 -2.438 -4.847 1.00 1.37 H new ATOM 0 HD3 PRO A 29 21.378 -1.526 -3.975 1.00 1.37 H new ATOM 419 N LEU A 30 16.024 -1.425 -2.863 1.00 0.78 N ATOM 420 CA LEU A 30 14.744 -1.960 -3.313 1.00 0.74 C ATOM 421 C LEU A 30 14.008 -0.947 -4.174 1.00 0.77 C ATOM 422 O LEU A 30 14.011 0.258 -3.924 1.00 0.82 O ATOM 423 CB LEU A 30 13.858 -2.344 -2.119 1.00 0.79 C ATOM 424 CG LEU A 30 14.399 -3.557 -1.353 1.00 0.75 C ATOM 425 CD1 LEU A 30 13.737 -3.618 0.023 1.00 1.88 C ATOM 426 CD2 LEU A 30 14.235 -4.924 -2.022 1.00 1.40 C ATOM 0 H LEU A 30 15.940 -0.813 -2.051 1.00 0.78 H new ATOM 0 HA LEU A 30 14.953 -2.852 -3.904 1.00 0.74 H new ATOM 0 HB2 LEU A 30 13.780 -1.495 -1.440 1.00 0.79 H new ATOM 0 HB3 LEU A 30 12.851 -2.562 -2.473 1.00 0.79 H new ATOM 0 HG LEU A 30 15.475 -3.386 -1.309 1.00 0.75 H new ATOM 0 HD11 LEU A 30 14.118 -4.479 0.572 1.00 1.88 H new ATOM 0 HD12 LEU A 30 13.962 -2.706 0.576 1.00 1.88 H new ATOM 0 HD13 LEU A 30 12.658 -3.713 -0.096 1.00 1.88 H new ATOM 0 HD21 LEU A 30 14.658 -5.697 -1.380 1.00 1.40 H new ATOM 0 HD22 LEU A 30 13.176 -5.125 -2.183 1.00 1.40 H new ATOM 0 HD23 LEU A 30 14.754 -4.925 -2.980 1.00 1.40 H new ATOM 438 N ARG A 31 13.278 -1.536 -5.111 1.00 0.77 N ATOM 439 CA ARG A 31 12.329 -0.845 -5.988 1.00 0.74 C ATOM 440 C ARG A 31 11.002 -1.593 -6.039 1.00 0.66 C ATOM 441 O ARG A 31 10.911 -2.664 -6.639 1.00 0.68 O ATOM 442 CB ARG A 31 12.921 -0.649 -7.389 1.00 0.77 C ATOM 443 CG ARG A 31 12.051 0.328 -8.204 1.00 0.74 C ATOM 444 CD ARG A 31 12.723 0.802 -9.495 1.00 1.02 C ATOM 445 NE ARG A 31 13.950 1.540 -9.168 1.00 1.05 N ATOM 446 CZ ARG A 31 15.133 1.511 -9.755 1.00 1.26 C ATOM 447 NH1 ARG A 31 15.334 0.930 -10.925 1.00 2.38 N ATOM 448 NH2 ARG A 31 16.144 2.071 -9.140 1.00 1.71 N ATOM 0 H ARG A 31 13.328 -2.539 -5.291 1.00 0.77 H new ATOM 0 HA ARG A 31 12.136 0.145 -5.575 1.00 0.74 H new ATOM 0 HB2 ARG A 31 13.938 -0.264 -7.311 1.00 0.77 H new ATOM 0 HB3 ARG A 31 12.982 -1.608 -7.903 1.00 0.77 H new ATOM 0 HG2 ARG A 31 11.106 -0.156 -8.451 1.00 0.74 H new ATOM 0 HG3 ARG A 31 11.813 1.194 -7.587 1.00 0.74 H new ATOM 0 HD2 ARG A 31 12.958 -0.052 -10.130 1.00 1.02 H new ATOM 0 HD3 ARG A 31 12.042 1.440 -10.059 1.00 1.02 H new ATOM 0 HE ARG A 31 13.878 2.169 -8.368 1.00 1.05 H new ATOM 0 HH11 ARG A 31 14.558 0.480 -11.411 1.00 2.38 H new ATOM 0 HH12 ARG A 31 16.265 0.931 -11.342 1.00 2.38 H new ATOM 0 HH21 ARG A 31 16.006 2.514 -8.232 1.00 1.71 H new ATOM 0 HH22 ARG A 31 17.069 2.064 -9.569 1.00 1.71 H new ATOM 462 N LEU A 32 9.993 -1.069 -5.358 1.00 0.61 N ATOM 463 CA LEU A 32 8.693 -1.699 -5.163 1.00 0.51 C ATOM 464 C LEU A 32 7.777 -1.318 -6.329 1.00 0.49 C ATOM 465 O LEU A 32 7.257 -0.207 -6.374 1.00 0.55 O ATOM 466 CB LEU A 32 8.190 -1.269 -3.777 1.00 0.52 C ATOM 467 CG LEU A 32 6.841 -1.854 -3.320 1.00 0.55 C ATOM 468 CD1 LEU A 32 6.780 -3.380 -3.449 1.00 1.58 C ATOM 469 CD2 LEU A 32 6.617 -1.472 -1.851 1.00 1.87 C ATOM 0 H LEU A 32 10.059 -0.156 -4.908 1.00 0.61 H new ATOM 0 HA LEU A 32 8.732 -2.788 -5.171 1.00 0.51 H new ATOM 0 HB2 LEU A 32 8.946 -1.541 -3.041 1.00 0.52 H new ATOM 0 HB3 LEU A 32 8.111 -0.182 -3.766 1.00 0.52 H new ATOM 0 HG LEU A 32 6.066 -1.442 -3.967 1.00 0.55 H new ATOM 0 HD11 LEU A 32 5.806 -3.735 -3.112 1.00 1.58 H new ATOM 0 HD12 LEU A 32 6.929 -3.663 -4.491 1.00 1.58 H new ATOM 0 HD13 LEU A 32 7.561 -3.829 -2.836 1.00 1.58 H new ATOM 0 HD21 LEU A 32 5.665 -1.879 -1.510 1.00 1.87 H new ATOM 0 HD22 LEU A 32 7.424 -1.879 -1.242 1.00 1.87 H new ATOM 0 HD23 LEU A 32 6.603 -0.386 -1.755 1.00 1.87 H new ATOM 481 N VAL A 33 7.635 -2.238 -7.285 1.00 0.48 N ATOM 482 CA VAL A 33 6.984 -2.015 -8.597 1.00 0.48 C ATOM 483 C VAL A 33 5.554 -2.583 -8.647 1.00 0.49 C ATOM 484 O VAL A 33 4.766 -2.218 -9.513 1.00 0.53 O ATOM 485 CB VAL A 33 7.810 -2.628 -9.758 1.00 0.49 C ATOM 486 CG1 VAL A 33 9.199 -1.976 -9.892 1.00 0.54 C ATOM 487 CG2 VAL A 33 8.032 -4.149 -9.632 1.00 0.51 C ATOM 0 H VAL A 33 7.978 -3.192 -7.173 1.00 0.48 H new ATOM 0 HA VAL A 33 6.933 -0.933 -8.721 1.00 0.48 H new ATOM 0 HB VAL A 33 7.201 -2.429 -10.640 1.00 0.49 H new ATOM 0 HG11 VAL A 33 9.740 -2.438 -10.718 1.00 0.54 H new ATOM 0 HG12 VAL A 33 9.083 -0.910 -10.086 1.00 0.54 H new ATOM 0 HG13 VAL A 33 9.758 -2.118 -8.967 1.00 0.54 H new ATOM 0 HG21 VAL A 33 8.617 -4.503 -10.481 1.00 0.51 H new ATOM 0 HG22 VAL A 33 8.568 -4.363 -8.707 1.00 0.51 H new ATOM 0 HG23 VAL A 33 7.068 -4.658 -9.619 1.00 0.51 H new ATOM 497 N GLY A 34 5.230 -3.496 -7.723 1.00 0.47 N ATOM 498 CA GLY A 34 3.905 -4.096 -7.591 1.00 0.47 C ATOM 499 C GLY A 34 3.636 -4.639 -6.196 1.00 0.46 C ATOM 500 O GLY A 34 4.503 -4.633 -5.323 1.00 0.48 O ATOM 0 H GLY A 34 5.898 -3.842 -7.034 1.00 0.47 H new ATOM 0 HA2 GLY A 34 3.148 -3.351 -7.837 1.00 0.47 H new ATOM 0 HA3 GLY A 34 3.804 -4.904 -8.315 1.00 0.47 H new ATOM 504 N ALA A 35 2.445 -5.202 -6.032 1.00 0.51 N ATOM 505 CA ALA A 35 2.057 -6.029 -4.893 1.00 0.50 C ATOM 506 C ALA A 35 1.272 -7.257 -5.387 1.00 0.48 C ATOM 507 O ALA A 35 1.074 -7.432 -6.589 1.00 0.50 O ATOM 508 CB ALA A 35 1.257 -5.171 -3.901 1.00 0.52 C ATOM 0 H ALA A 35 1.694 -5.092 -6.713 1.00 0.51 H new ATOM 0 HA ALA A 35 2.936 -6.405 -4.370 1.00 0.50 H new ATOM 0 HB1 ALA A 35 0.963 -5.781 -3.047 1.00 0.52 H new ATOM 0 HB2 ALA A 35 1.874 -4.340 -3.558 1.00 0.52 H new ATOM 0 HB3 ALA A 35 0.365 -4.782 -4.393 1.00 0.52 H new ATOM 514 N ARG A 36 0.819 -8.087 -4.454 1.00 0.48 N ATOM 515 CA ARG A 36 -0.183 -9.145 -4.624 1.00 0.48 C ATOM 516 C ARG A 36 -0.815 -9.434 -3.243 1.00 0.47 C ATOM 517 O ARG A 36 -0.512 -8.746 -2.269 1.00 0.66 O ATOM 518 CB ARG A 36 0.406 -10.401 -5.314 1.00 0.61 C ATOM 519 CG ARG A 36 0.396 -10.422 -6.845 1.00 1.44 C ATOM 520 CD ARG A 36 -0.058 -11.787 -7.388 1.00 1.73 C ATOM 521 NE ARG A 36 -1.528 -11.921 -7.336 1.00 2.60 N ATOM 522 CZ ARG A 36 -2.279 -12.420 -6.361 1.00 3.72 C ATOM 523 NH1 ARG A 36 -1.805 -13.129 -5.359 1.00 3.99 N ATOM 524 NH2 ARG A 36 -3.567 -12.166 -6.344 1.00 5.24 N ATOM 0 H ARG A 36 1.161 -8.040 -3.494 1.00 0.48 H new ATOM 0 HA ARG A 36 -0.969 -8.813 -5.302 1.00 0.48 H new ATOM 0 HB2 ARG A 36 1.437 -10.519 -4.980 1.00 0.61 H new ATOM 0 HB3 ARG A 36 -0.145 -11.272 -4.960 1.00 0.61 H new ATOM 0 HG2 ARG A 36 -0.269 -9.642 -7.216 1.00 1.44 H new ATOM 0 HG3 ARG A 36 1.394 -10.194 -7.219 1.00 1.44 H new ATOM 0 HD2 ARG A 36 0.284 -11.904 -8.416 1.00 1.73 H new ATOM 0 HD3 ARG A 36 0.403 -12.585 -6.806 1.00 1.73 H new ATOM 0 HE ARG A 36 -2.033 -11.586 -8.157 1.00 2.60 H new ATOM 0 HH11 ARG A 36 -0.806 -13.324 -5.300 1.00 3.99 H new ATOM 0 HH12 ARG A 36 -2.437 -13.484 -4.641 1.00 3.99 H new ATOM 0 HH21 ARG A 36 -3.983 -11.590 -7.076 1.00 5.24 H new ATOM 0 HH22 ARG A 36 -4.152 -12.545 -5.599 1.00 5.24 H new ATOM 538 N THR A 37 -1.736 -10.396 -3.173 1.00 0.52 N ATOM 539 CA THR A 37 -2.527 -10.799 -1.994 1.00 0.55 C ATOM 540 C THR A 37 -3.432 -11.965 -2.384 1.00 0.67 C ATOM 541 O THR A 37 -3.798 -12.063 -3.558 1.00 0.77 O ATOM 542 CB THR A 37 -3.325 -9.619 -1.411 1.00 0.54 C ATOM 543 OG1 THR A 37 -4.292 -10.063 -0.495 1.00 0.65 O ATOM 544 CG2 THR A 37 -4.078 -8.778 -2.440 1.00 0.59 C ATOM 0 H THR A 37 -1.970 -10.957 -3.992 1.00 0.52 H new ATOM 0 HA THR A 37 -1.852 -11.123 -1.202 1.00 0.55 H new ATOM 0 HB THR A 37 -2.556 -9.002 -0.947 1.00 0.54 H new ATOM 0 HG1 THR A 37 -3.913 -10.059 0.409 1.00 0.65 H new ATOM 0 HG21 THR A 37 -4.609 -7.972 -1.933 1.00 0.59 H new ATOM 0 HG22 THR A 37 -3.370 -8.354 -3.152 1.00 0.59 H new ATOM 0 HG23 THR A 37 -4.793 -9.407 -2.970 1.00 0.59 H new ATOM 552 N PRO A 38 -3.863 -12.832 -1.452 1.00 0.71 N ATOM 553 CA PRO A 38 -4.901 -13.818 -1.733 1.00 0.76 C ATOM 554 C PRO A 38 -6.291 -13.207 -1.959 1.00 0.78 C ATOM 555 O PRO A 38 -7.201 -13.928 -2.358 1.00 0.89 O ATOM 556 CB PRO A 38 -4.871 -14.763 -0.538 1.00 0.75 C ATOM 557 CG PRO A 38 -4.310 -13.938 0.614 1.00 0.75 C ATOM 558 CD PRO A 38 -3.379 -12.953 -0.084 1.00 0.74 C ATOM 0 HA PRO A 38 -4.703 -14.332 -2.673 1.00 0.76 H new ATOM 0 HB2 PRO A 38 -5.869 -15.135 -0.306 1.00 0.75 H new ATOM 0 HB3 PRO A 38 -4.246 -15.633 -0.740 1.00 0.75 H new ATOM 0 HG2 PRO A 38 -5.099 -13.425 1.164 1.00 0.75 H new ATOM 0 HG3 PRO A 38 -3.774 -14.560 1.331 1.00 0.75 H new ATOM 0 HD2 PRO A 38 -3.389 -11.986 0.419 1.00 0.74 H new ATOM 0 HD3 PRO A 38 -2.350 -13.311 -0.066 1.00 0.74 H new ATOM 566 N VAL A 39 -6.460 -11.903 -1.710 1.00 0.76 N ATOM 567 CA VAL A 39 -7.775 -11.226 -1.744 1.00 0.80 C ATOM 568 C VAL A 39 -7.827 -10.003 -2.671 1.00 0.75 C ATOM 569 O VAL A 39 -8.428 -8.988 -2.337 1.00 0.79 O ATOM 570 CB VAL A 39 -8.311 -10.926 -0.324 1.00 0.85 C ATOM 571 CG1 VAL A 39 -8.438 -12.234 0.475 1.00 1.01 C ATOM 572 CG2 VAL A 39 -7.441 -9.959 0.486 1.00 0.75 C ATOM 0 H VAL A 39 -5.688 -11.279 -1.477 1.00 0.76 H new ATOM 0 HA VAL A 39 -8.459 -11.943 -2.198 1.00 0.80 H new ATOM 0 HB VAL A 39 -9.278 -10.446 -0.475 1.00 0.85 H new ATOM 0 HG11 VAL A 39 -8.816 -12.015 1.474 1.00 1.01 H new ATOM 0 HG12 VAL A 39 -9.128 -12.906 -0.035 1.00 1.01 H new ATOM 0 HG13 VAL A 39 -7.460 -12.709 0.553 1.00 1.01 H new ATOM 0 HG21 VAL A 39 -7.888 -9.803 1.468 1.00 0.75 H new ATOM 0 HG22 VAL A 39 -6.443 -10.380 0.604 1.00 0.75 H new ATOM 0 HG23 VAL A 39 -7.373 -9.005 -0.037 1.00 0.75 H new ATOM 582 N ALA A 40 -7.274 -10.122 -3.882 1.00 0.72 N ATOM 583 CA ALA A 40 -7.484 -9.175 -4.987 1.00 0.69 C ATOM 584 C ALA A 40 -7.095 -9.804 -6.338 1.00 0.80 C ATOM 585 O ALA A 40 -6.153 -10.599 -6.410 1.00 1.13 O ATOM 586 CB ALA A 40 -6.671 -7.894 -4.741 1.00 0.65 C ATOM 0 H ALA A 40 -6.655 -10.894 -4.129 1.00 0.72 H new ATOM 0 HA ALA A 40 -8.544 -8.924 -5.026 1.00 0.69 H new ATOM 0 HB1 ALA A 40 -6.832 -7.197 -5.564 1.00 0.65 H new ATOM 0 HB2 ALA A 40 -6.992 -7.433 -3.807 1.00 0.65 H new ATOM 0 HB3 ALA A 40 -5.612 -8.142 -4.677 1.00 0.65 H new ATOM 592 N GLU A 41 -7.804 -9.408 -7.396 1.00 0.71 N ATOM 593 CA GLU A 41 -7.539 -9.766 -8.800 1.00 0.79 C ATOM 594 C GLU A 41 -6.587 -8.761 -9.483 1.00 0.73 C ATOM 595 O GLU A 41 -5.718 -9.139 -10.266 1.00 0.94 O ATOM 596 CB GLU A 41 -8.878 -9.776 -9.564 1.00 0.89 C ATOM 597 CG GLU A 41 -8.890 -10.723 -10.774 1.00 1.09 C ATOM 598 CD GLU A 41 -9.361 -12.106 -10.340 1.00 1.83 C ATOM 599 OE1 GLU A 41 -8.649 -12.764 -9.549 1.00 2.73 O ATOM 600 OE2 GLU A 41 -10.529 -12.467 -10.605 1.00 2.79 O ATOM 0 H GLU A 41 -8.618 -8.801 -7.298 1.00 0.71 H new ATOM 0 HA GLU A 41 -7.062 -10.746 -8.817 1.00 0.79 H new ATOM 0 HB2 GLU A 41 -9.675 -10.065 -8.879 1.00 0.89 H new ATOM 0 HB3 GLU A 41 -9.101 -8.764 -9.903 1.00 0.89 H new ATOM 0 HG2 GLU A 41 -9.549 -10.330 -11.549 1.00 1.09 H new ATOM 0 HG3 GLU A 41 -7.892 -10.788 -11.207 1.00 1.09 H new ATOM 607 N ARG A 42 -6.754 -7.470 -9.164 1.00 0.61 N ATOM 608 CA ARG A 42 -5.973 -6.330 -9.627 1.00 0.64 C ATOM 609 C ARG A 42 -5.435 -5.565 -8.417 1.00 0.61 C ATOM 610 O ARG A 42 -6.049 -5.535 -7.347 1.00 0.74 O ATOM 611 CB ARG A 42 -6.849 -5.396 -10.477 1.00 0.81 C ATOM 612 CG ARG A 42 -6.964 -5.826 -11.947 1.00 1.28 C ATOM 613 CD ARG A 42 -7.383 -4.638 -12.829 1.00 1.76 C ATOM 614 NE ARG A 42 -6.284 -3.662 -12.931 1.00 3.03 N ATOM 615 CZ ARG A 42 -5.433 -3.512 -13.935 1.00 4.01 C ATOM 616 NH1 ARG A 42 -5.738 -3.831 -15.177 1.00 4.23 N ATOM 617 NH2 ARG A 42 -4.242 -3.039 -13.670 1.00 5.60 N ATOM 0 H ARG A 42 -7.496 -7.181 -8.527 1.00 0.61 H new ATOM 0 HA ARG A 42 -5.144 -6.688 -10.238 1.00 0.64 H new ATOM 0 HB2 ARG A 42 -7.847 -5.352 -10.041 1.00 0.81 H new ATOM 0 HB3 ARG A 42 -6.438 -4.387 -10.434 1.00 0.81 H new ATOM 0 HG2 ARG A 42 -6.009 -6.222 -12.291 1.00 1.28 H new ATOM 0 HG3 ARG A 42 -7.694 -6.630 -12.040 1.00 1.28 H new ATOM 0 HD2 ARG A 42 -7.656 -4.993 -13.823 1.00 1.76 H new ATOM 0 HD3 ARG A 42 -8.266 -4.158 -12.408 1.00 1.76 H new ATOM 0 HE ARG A 42 -6.165 -3.030 -12.139 1.00 3.03 H new ATOM 0 HH11 ARG A 42 -6.660 -4.210 -15.395 1.00 4.23 H new ATOM 0 HH12 ARG A 42 -5.052 -3.699 -15.920 1.00 4.23 H new ATOM 0 HH21 ARG A 42 -3.991 -2.797 -12.711 1.00 5.60 H new ATOM 0 HH22 ARG A 42 -3.565 -2.912 -14.422 1.00 5.60 H new ATOM 631 N VAL A 43 -4.277 -4.956 -8.601 1.00 0.82 N ATOM 632 CA VAL A 43 -3.503 -4.270 -7.570 1.00 0.69 C ATOM 633 C VAL A 43 -2.567 -3.246 -8.196 1.00 0.82 C ATOM 634 O VAL A 43 -1.732 -3.573 -9.037 1.00 1.27 O ATOM 635 CB VAL A 43 -2.775 -5.270 -6.663 1.00 0.72 C ATOM 636 CG1 VAL A 43 -1.641 -6.065 -7.331 1.00 0.98 C ATOM 637 CG2 VAL A 43 -2.272 -4.603 -5.378 1.00 0.77 C ATOM 0 H VAL A 43 -3.826 -4.922 -9.515 1.00 0.82 H new ATOM 0 HA VAL A 43 -4.189 -3.720 -6.926 1.00 0.69 H new ATOM 0 HB VAL A 43 -3.540 -6.008 -6.421 1.00 0.72 H new ATOM 0 HG11 VAL A 43 -1.194 -6.742 -6.603 1.00 0.98 H new ATOM 0 HG12 VAL A 43 -2.043 -6.642 -8.164 1.00 0.98 H new ATOM 0 HG13 VAL A 43 -0.882 -5.376 -7.700 1.00 0.98 H new ATOM 0 HG21 VAL A 43 -1.762 -5.342 -4.760 1.00 0.77 H new ATOM 0 HG22 VAL A 43 -1.579 -3.801 -5.632 1.00 0.77 H new ATOM 0 HG23 VAL A 43 -3.117 -4.191 -4.827 1.00 0.77 H new ATOM 647 N GLU A 44 -2.759 -1.995 -7.795 1.00 0.61 N ATOM 648 CA GLU A 44 -2.213 -0.831 -8.492 1.00 0.64 C ATOM 649 C GLU A 44 -1.690 0.206 -7.498 1.00 0.65 C ATOM 650 O GLU A 44 -2.374 0.555 -6.538 1.00 1.01 O ATOM 651 CB GLU A 44 -3.288 -0.207 -9.398 1.00 0.92 C ATOM 652 CG GLU A 44 -3.482 -0.945 -10.730 1.00 1.53 C ATOM 653 CD GLU A 44 -4.491 -2.097 -10.700 1.00 2.84 C ATOM 654 OE1 GLU A 44 -5.711 -1.838 -10.698 1.00 3.17 O ATOM 655 OE2 GLU A 44 -4.089 -3.264 -10.916 1.00 4.47 O ATOM 0 H GLU A 44 -3.304 -1.755 -6.967 1.00 0.61 H new ATOM 0 HA GLU A 44 -1.377 -1.161 -9.108 1.00 0.64 H new ATOM 0 HB2 GLU A 44 -4.237 -0.190 -8.861 1.00 0.92 H new ATOM 0 HB3 GLU A 44 -3.020 0.829 -9.603 1.00 0.92 H new ATOM 0 HG2 GLU A 44 -3.801 -0.224 -11.483 1.00 1.53 H new ATOM 0 HG3 GLU A 44 -2.518 -1.337 -11.053 1.00 1.53 H new ATOM 662 N LEU A 45 -0.473 0.711 -7.725 1.00 0.61 N ATOM 663 CA LEU A 45 0.202 1.610 -6.789 1.00 0.62 C ATOM 664 C LEU A 45 -0.280 3.059 -6.944 1.00 0.52 C ATOM 665 O LEU A 45 -0.187 3.647 -8.027 1.00 0.59 O ATOM 666 CB LEU A 45 1.720 1.489 -6.998 1.00 0.98 C ATOM 667 CG LEU A 45 2.547 2.287 -5.970 1.00 0.68 C ATOM 668 CD1 LEU A 45 2.608 1.610 -4.599 1.00 0.83 C ATOM 669 CD2 LEU A 45 3.969 2.454 -6.498 1.00 1.50 C ATOM 0 H LEU A 45 0.070 0.507 -8.564 1.00 0.61 H new ATOM 0 HA LEU A 45 -0.045 1.318 -5.768 1.00 0.62 H new ATOM 0 HB2 LEU A 45 2.004 0.438 -6.944 1.00 0.98 H new ATOM 0 HB3 LEU A 45 1.970 1.835 -8.001 1.00 0.98 H new ATOM 0 HG LEU A 45 2.054 3.250 -5.838 1.00 0.68 H new ATOM 0 HD11 LEU A 45 3.204 2.219 -3.919 1.00 0.83 H new ATOM 0 HD12 LEU A 45 1.599 1.503 -4.201 1.00 0.83 H new ATOM 0 HD13 LEU A 45 3.065 0.626 -4.699 1.00 0.83 H new ATOM 0 HD21 LEU A 45 4.561 3.018 -5.777 1.00 1.50 H new ATOM 0 HD22 LEU A 45 4.419 1.473 -6.649 1.00 1.50 H new ATOM 0 HD23 LEU A 45 3.944 2.991 -7.446 1.00 1.50 H new ATOM 681 N HIS A 46 -0.730 3.652 -5.839 1.00 0.47 N ATOM 682 CA HIS A 46 -1.141 5.051 -5.727 1.00 0.42 C ATOM 683 C HIS A 46 -0.338 5.843 -4.683 1.00 0.41 C ATOM 684 O HIS A 46 0.171 5.324 -3.682 1.00 0.46 O ATOM 685 CB HIS A 46 -2.626 5.135 -5.333 1.00 0.43 C ATOM 686 CG HIS A 46 -3.665 4.642 -6.302 1.00 0.44 C ATOM 687 ND1 HIS A 46 -5.017 4.585 -6.007 1.00 0.45 N ATOM 688 CD2 HIS A 46 -3.502 4.162 -7.570 1.00 0.51 C ATOM 689 CE1 HIS A 46 -5.640 4.070 -7.064 1.00 0.51 C ATOM 690 NE2 HIS A 46 -4.749 3.797 -8.033 1.00 0.56 N ATOM 0 H HIS A 46 -0.822 3.147 -4.957 1.00 0.47 H new ATOM 0 HA HIS A 46 -0.957 5.492 -6.707 1.00 0.42 H new ATOM 0 HB2 HIS A 46 -2.752 4.579 -4.404 1.00 0.43 H new ATOM 0 HB3 HIS A 46 -2.850 6.179 -5.113 1.00 0.43 H new ATOM 0 HD2 HIS A 46 -2.570 4.083 -8.110 1.00 0.51 H new ATOM 0 HE1 HIS A 46 -6.704 3.897 -7.133 1.00 0.51 H new ATOM 0 HE2 HIS A 46 -4.958 3.393 -8.946 1.00 0.56 H new ATOM 698 N GLU A 47 -0.326 7.149 -4.921 1.00 0.41 N ATOM 699 CA GLU A 47 0.094 8.190 -4.003 1.00 0.40 C ATOM 700 C GLU A 47 -1.131 8.854 -3.341 1.00 0.50 C ATOM 701 O GLU A 47 -2.270 8.390 -3.507 1.00 0.92 O ATOM 702 CB GLU A 47 1.082 9.126 -4.728 1.00 0.49 C ATOM 703 CG GLU A 47 0.742 9.722 -6.109 1.00 0.77 C ATOM 704 CD GLU A 47 -0.354 10.781 -6.151 1.00 1.76 C ATOM 705 OE1 GLU A 47 -1.449 10.508 -5.613 1.00 3.44 O ATOM 706 OE2 GLU A 47 -0.161 11.795 -6.858 1.00 2.17 O ATOM 0 H GLU A 47 -0.629 7.529 -5.818 1.00 0.41 H new ATOM 0 HA GLU A 47 0.651 7.789 -3.156 1.00 0.40 H new ATOM 0 HB2 GLU A 47 1.279 9.963 -4.058 1.00 0.49 H new ATOM 0 HB3 GLU A 47 2.018 8.579 -4.838 1.00 0.49 H new ATOM 0 HG2 GLU A 47 1.651 10.158 -6.524 1.00 0.77 H new ATOM 0 HG3 GLU A 47 0.450 8.905 -6.769 1.00 0.77 H new ATOM 713 N THR A 48 -0.928 9.883 -2.512 1.00 0.48 N ATOM 714 CA THR A 48 -1.992 10.728 -1.939 1.00 0.47 C ATOM 715 C THR A 48 -1.413 12.124 -1.706 1.00 0.47 C ATOM 716 O THR A 48 -0.240 12.233 -1.349 1.00 0.50 O ATOM 717 CB THR A 48 -2.490 10.100 -0.634 1.00 0.59 C ATOM 718 OG1 THR A 48 -2.986 8.818 -0.936 1.00 0.80 O ATOM 719 CG2 THR A 48 -3.617 10.882 0.039 1.00 0.70 C ATOM 0 H THR A 48 0.005 10.163 -2.210 1.00 0.48 H new ATOM 0 HA THR A 48 -2.843 10.805 -2.615 1.00 0.47 H new ATOM 0 HB THR A 48 -1.647 10.088 0.056 1.00 0.59 H new ATOM 0 HG1 THR A 48 -2.851 8.631 -1.888 1.00 0.80 H new ATOM 0 HG21 THR A 48 -3.915 10.374 0.956 1.00 0.70 H new ATOM 0 HG22 THR A 48 -3.270 11.888 0.277 1.00 0.70 H new ATOM 0 HG23 THR A 48 -4.471 10.943 -0.636 1.00 0.70 H new ATOM 727 N PHE A 49 -2.201 13.186 -1.908 1.00 0.63 N ATOM 728 CA PHE A 49 -1.683 14.560 -1.905 1.00 0.73 C ATOM 729 C PHE A 49 -2.663 15.632 -1.399 1.00 0.80 C ATOM 730 O PHE A 49 -3.876 15.438 -1.292 1.00 0.81 O ATOM 731 CB PHE A 49 -1.165 14.908 -3.318 1.00 0.82 C ATOM 732 CG PHE A 49 -2.225 15.015 -4.403 1.00 0.92 C ATOM 733 CD1 PHE A 49 -3.020 16.171 -4.487 1.00 2.40 C ATOM 734 CD2 PHE A 49 -2.417 13.984 -5.340 1.00 1.67 C ATOM 735 CE1 PHE A 49 -4.005 16.306 -5.474 1.00 2.57 C ATOM 736 CE2 PHE A 49 -3.392 14.120 -6.348 1.00 1.65 C ATOM 737 CZ PHE A 49 -4.184 15.280 -6.419 1.00 1.25 C ATOM 0 H PHE A 49 -3.205 13.120 -2.076 1.00 0.63 H new ATOM 0 HA PHE A 49 -0.872 14.577 -1.177 1.00 0.73 H new ATOM 0 HB2 PHE A 49 -0.629 15.856 -3.265 1.00 0.82 H new ATOM 0 HB3 PHE A 49 -0.442 14.149 -3.616 1.00 0.82 H new ATOM 0 HD1 PHE A 49 -2.869 16.971 -3.777 1.00 2.40 H new ATOM 0 HD2 PHE A 49 -1.817 13.088 -5.287 1.00 1.67 H new ATOM 0 HE1 PHE A 49 -4.622 17.191 -5.509 1.00 2.57 H new ATOM 0 HE2 PHE A 49 -3.532 13.329 -7.070 1.00 1.65 H new ATOM 0 HZ PHE A 49 -4.927 15.382 -7.196 1.00 1.25 H new ATOM 747 N MET A 50 -2.105 16.829 -1.182 1.00 0.88 N ATOM 748 CA MET A 50 -2.838 18.097 -1.054 1.00 0.88 C ATOM 749 C MET A 50 -2.572 19.016 -2.255 1.00 0.83 C ATOM 750 O MET A 50 -1.469 19.054 -2.793 1.00 0.93 O ATOM 751 CB MET A 50 -2.445 18.835 0.234 1.00 1.13 C ATOM 752 CG MET A 50 -3.123 18.238 1.466 1.00 2.45 C ATOM 753 SD MET A 50 -3.028 19.290 2.937 1.00 2.87 S ATOM 754 CE MET A 50 -4.439 20.381 2.621 1.00 4.43 C ATOM 0 H MET A 50 -1.096 16.947 -1.087 1.00 0.88 H new ATOM 0 HA MET A 50 -3.899 17.849 -1.019 1.00 0.88 H new ATOM 0 HB2 MET A 50 -1.363 18.793 0.360 1.00 1.13 H new ATOM 0 HB3 MET A 50 -2.715 19.887 0.146 1.00 1.13 H new ATOM 0 HG2 MET A 50 -4.171 18.047 1.235 1.00 2.45 H new ATOM 0 HG3 MET A 50 -2.665 17.275 1.690 1.00 2.45 H new ATOM 0 HE1 MET A 50 -4.163 21.409 2.855 1.00 4.43 H new ATOM 0 HE2 MET A 50 -4.725 20.312 1.571 1.00 4.43 H new ATOM 0 HE3 MET A 50 -5.279 20.080 3.246 1.00 4.43 H new ATOM 764 N ARG A 51 -3.599 19.772 -2.649 1.00 0.79 N ATOM 765 CA ARG A 51 -3.564 20.849 -3.647 1.00 0.92 C ATOM 766 C ARG A 51 -4.376 22.047 -3.152 1.00 1.09 C ATOM 767 O ARG A 51 -5.402 21.856 -2.497 1.00 1.01 O ATOM 768 CB ARG A 51 -4.169 20.395 -4.986 1.00 1.06 C ATOM 769 CG ARG A 51 -3.142 19.658 -5.848 1.00 1.27 C ATOM 770 CD ARG A 51 -3.757 19.282 -7.198 1.00 1.64 C ATOM 771 NE ARG A 51 -2.877 18.353 -7.925 1.00 3.03 N ATOM 772 CZ ARG A 51 -2.668 18.313 -9.233 1.00 3.88 C ATOM 773 NH1 ARG A 51 -3.299 19.121 -10.063 1.00 3.76 N ATOM 774 NH2 ARG A 51 -1.805 17.449 -9.723 1.00 5.34 N ATOM 0 H ARG A 51 -4.533 19.643 -2.259 1.00 0.79 H new ATOM 0 HA ARG A 51 -2.518 21.120 -3.793 1.00 0.92 H new ATOM 0 HB2 ARG A 51 -5.022 19.743 -4.798 1.00 1.06 H new ATOM 0 HB3 ARG A 51 -4.545 21.262 -5.529 1.00 1.06 H new ATOM 0 HG2 ARG A 51 -2.266 20.289 -6.002 1.00 1.27 H new ATOM 0 HG3 ARG A 51 -2.801 18.760 -5.333 1.00 1.27 H new ATOM 0 HD2 ARG A 51 -4.733 18.822 -7.044 1.00 1.64 H new ATOM 0 HD3 ARG A 51 -3.918 20.181 -7.794 1.00 1.64 H new ATOM 0 HE ARG A 51 -2.374 17.667 -7.362 1.00 3.03 H new ATOM 0 HH11 ARG A 51 -3.969 19.800 -9.703 1.00 3.76 H new ATOM 0 HH12 ARG A 51 -3.117 19.066 -11.065 1.00 3.76 H new ATOM 0 HH21 ARG A 51 -1.304 16.818 -9.098 1.00 5.34 H new ATOM 0 HH22 ARG A 51 -1.637 17.410 -10.728 1.00 5.34 H new ATOM 788 N GLU A 52 -4.003 23.262 -3.536 1.00 1.43 N ATOM 789 CA GLU A 52 -4.926 24.369 -3.624 1.00 1.42 C ATOM 790 C GLU A 52 -5.527 24.390 -5.033 1.00 1.40 C ATOM 791 O GLU A 52 -4.816 24.128 -6.005 1.00 1.58 O ATOM 792 CB GLU A 52 -4.103 25.624 -3.337 1.00 1.75 C ATOM 793 CG GLU A 52 -4.957 26.856 -3.106 1.00 1.73 C ATOM 794 CD GLU A 52 -5.556 26.918 -1.698 1.00 1.86 C ATOM 795 OE1 GLU A 52 -5.916 25.848 -1.159 1.00 2.20 O ATOM 796 OE2 GLU A 52 -5.677 28.037 -1.169 1.00 2.72 O ATOM 0 H GLU A 52 -3.046 23.500 -3.795 1.00 1.43 H new ATOM 0 HA GLU A 52 -5.753 24.297 -2.918 1.00 1.42 H new ATOM 0 HB2 GLU A 52 -3.481 25.450 -2.459 1.00 1.75 H new ATOM 0 HB3 GLU A 52 -3.429 25.808 -4.173 1.00 1.75 H new ATOM 0 HG2 GLU A 52 -4.352 27.747 -3.276 1.00 1.73 H new ATOM 0 HG3 GLU A 52 -5.764 26.874 -3.839 1.00 1.73 H new ATOM 803 N VAL A 53 -6.819 24.683 -5.151 1.00 1.27 N ATOM 804 CA VAL A 53 -7.513 24.919 -6.424 1.00 1.33 C ATOM 805 C VAL A 53 -8.487 26.064 -6.169 1.00 1.33 C ATOM 806 O VAL A 53 -9.301 25.955 -5.261 1.00 1.48 O ATOM 807 CB VAL A 53 -8.281 23.663 -6.910 1.00 1.39 C ATOM 808 CG1 VAL A 53 -8.981 23.938 -8.254 1.00 1.79 C ATOM 809 CG2 VAL A 53 -7.369 22.433 -7.083 1.00 2.26 C ATOM 0 H VAL A 53 -7.435 24.766 -4.342 1.00 1.27 H new ATOM 0 HA VAL A 53 -6.794 25.158 -7.207 1.00 1.33 H new ATOM 0 HB VAL A 53 -9.013 23.443 -6.133 1.00 1.39 H new ATOM 0 HG11 VAL A 53 -9.514 23.043 -8.576 1.00 1.79 H new ATOM 0 HG12 VAL A 53 -9.689 24.759 -8.135 1.00 1.79 H new ATOM 0 HG13 VAL A 53 -8.237 24.207 -9.004 1.00 1.79 H new ATOM 0 HG21 VAL A 53 -7.963 21.585 -7.425 1.00 2.26 H new ATOM 0 HG22 VAL A 53 -6.595 22.654 -7.818 1.00 2.26 H new ATOM 0 HG23 VAL A 53 -6.903 22.188 -6.128 1.00 2.26 H new ATOM 819 N GLU A 54 -8.373 27.170 -6.917 1.00 1.59 N ATOM 820 CA GLU A 54 -9.293 28.326 -6.828 1.00 1.62 C ATOM 821 C GLU A 54 -9.189 29.075 -5.471 1.00 1.54 C ATOM 822 O GLU A 54 -10.138 29.720 -5.037 1.00 1.63 O ATOM 823 CB GLU A 54 -10.728 27.838 -7.120 1.00 1.69 C ATOM 824 CG GLU A 54 -11.759 28.893 -7.550 1.00 2.56 C ATOM 825 CD GLU A 54 -13.147 28.405 -7.133 1.00 2.67 C ATOM 826 OE1 GLU A 54 -13.431 27.199 -7.318 1.00 2.57 O ATOM 827 OE2 GLU A 54 -13.905 29.150 -6.473 1.00 3.71 O ATOM 0 H GLU A 54 -7.634 27.294 -7.609 1.00 1.59 H new ATOM 0 HA GLU A 54 -9.004 29.064 -7.577 1.00 1.62 H new ATOM 0 HB2 GLU A 54 -10.674 27.081 -7.903 1.00 1.69 H new ATOM 0 HB3 GLU A 54 -11.105 27.344 -6.224 1.00 1.69 H new ATOM 0 HG2 GLU A 54 -11.538 29.853 -7.083 1.00 2.56 H new ATOM 0 HG3 GLU A 54 -11.718 29.046 -8.628 1.00 2.56 H new ATOM 834 N GLY A 55 -8.060 28.951 -4.753 1.00 1.54 N ATOM 835 CA GLY A 55 -7.899 29.494 -3.389 1.00 1.62 C ATOM 836 C GLY A 55 -8.596 28.651 -2.313 1.00 1.49 C ATOM 837 O GLY A 55 -8.904 29.140 -1.228 1.00 1.70 O ATOM 0 H GLY A 55 -7.230 28.471 -5.101 1.00 1.54 H new ATOM 0 HA2 GLY A 55 -6.836 29.562 -3.156 1.00 1.62 H new ATOM 0 HA3 GLY A 55 -8.297 30.508 -3.360 1.00 1.62 H new ATOM 841 N LYS A 56 -8.893 27.388 -2.636 1.00 1.28 N ATOM 842 CA LYS A 56 -9.579 26.418 -1.793 1.00 1.24 C ATOM 843 C LYS A 56 -8.801 25.091 -1.826 1.00 1.11 C ATOM 844 O LYS A 56 -8.489 24.535 -2.884 1.00 0.99 O ATOM 845 CB LYS A 56 -11.031 26.235 -2.291 1.00 1.31 C ATOM 846 CG LYS A 56 -11.905 27.504 -2.153 1.00 1.67 C ATOM 847 CD LYS A 56 -12.730 27.814 -3.410 1.00 1.96 C ATOM 848 CE LYS A 56 -13.839 26.781 -3.645 1.00 2.29 C ATOM 849 NZ LYS A 56 -14.554 27.050 -4.912 1.00 2.53 N ATOM 0 H LYS A 56 -8.645 26.999 -3.545 1.00 1.28 H new ATOM 0 HA LYS A 56 -9.621 26.770 -0.762 1.00 1.24 H new ATOM 0 HB2 LYS A 56 -11.010 25.932 -3.338 1.00 1.31 H new ATOM 0 HB3 LYS A 56 -11.497 25.423 -1.733 1.00 1.31 H new ATOM 0 HG2 LYS A 56 -12.579 27.382 -1.306 1.00 1.67 H new ATOM 0 HG3 LYS A 56 -11.263 28.356 -1.929 1.00 1.67 H new ATOM 0 HD2 LYS A 56 -13.173 28.805 -3.316 1.00 1.96 H new ATOM 0 HD3 LYS A 56 -12.071 27.840 -4.278 1.00 1.96 H new ATOM 0 HE2 LYS A 56 -13.409 25.780 -3.672 1.00 2.29 H new ATOM 0 HE3 LYS A 56 -14.544 26.803 -2.814 1.00 2.29 H new ATOM 0 HZ1 LYS A 56 -15.525 26.682 -4.848 1.00 2.53 H new ATOM 0 HZ2 LYS A 56 -14.583 28.075 -5.083 1.00 2.53 H new ATOM 0 HZ3 LYS A 56 -14.058 26.582 -5.697 1.00 2.53 H new ATOM 863 N LYS A 57 -8.485 24.566 -0.649 1.00 1.21 N ATOM 864 CA LYS A 57 -7.664 23.366 -0.486 1.00 1.15 C ATOM 865 C LYS A 57 -8.457 22.074 -0.726 1.00 1.06 C ATOM 866 O LYS A 57 -9.483 21.832 -0.098 1.00 1.26 O ATOM 867 CB LYS A 57 -6.876 23.403 0.835 1.00 1.34 C ATOM 868 CG LYS A 57 -7.674 23.741 2.108 1.00 2.40 C ATOM 869 CD LYS A 57 -6.767 24.501 3.085 1.00 2.84 C ATOM 870 CE LYS A 57 -7.564 25.005 4.290 1.00 4.36 C ATOM 871 NZ LYS A 57 -6.775 25.981 5.082 1.00 5.72 N ATOM 0 H LYS A 57 -8.796 24.967 0.236 1.00 1.21 H new ATOM 0 HA LYS A 57 -6.910 23.363 -1.273 1.00 1.15 H new ATOM 0 HB2 LYS A 57 -6.405 22.431 0.977 1.00 1.34 H new ATOM 0 HB3 LYS A 57 -6.074 24.134 0.732 1.00 1.34 H new ATOM 0 HG2 LYS A 57 -8.545 24.346 1.856 1.00 2.40 H new ATOM 0 HG3 LYS A 57 -8.044 22.827 2.573 1.00 2.40 H new ATOM 0 HD2 LYS A 57 -5.962 23.848 3.423 1.00 2.84 H new ATOM 0 HD3 LYS A 57 -6.301 25.343 2.574 1.00 2.84 H new ATOM 0 HE2 LYS A 57 -8.488 25.471 3.949 1.00 4.36 H new ATOM 0 HE3 LYS A 57 -7.846 24.163 4.922 1.00 4.36 H new ATOM 0 HZ1 LYS A 57 -7.339 26.307 5.893 1.00 5.72 H new ATOM 0 HZ2 LYS A 57 -5.905 25.527 5.425 1.00 5.72 H new ATOM 0 HZ3 LYS A 57 -6.528 26.795 4.483 1.00 5.72 H new ATOM 885 N VAL A 58 -7.936 21.260 -1.635 1.00 0.91 N ATOM 886 CA VAL A 58 -8.477 20.000 -2.153 1.00 1.00 C ATOM 887 C VAL A 58 -7.463 18.887 -1.884 1.00 0.83 C ATOM 888 O VAL A 58 -6.273 19.047 -2.147 1.00 0.95 O ATOM 889 CB VAL A 58 -8.736 20.119 -3.678 1.00 1.22 C ATOM 890 CG1 VAL A 58 -9.140 18.784 -4.323 1.00 2.33 C ATOM 891 CG2 VAL A 58 -9.832 21.157 -3.973 1.00 2.16 C ATOM 0 H VAL A 58 -7.041 21.481 -2.072 1.00 0.91 H new ATOM 0 HA VAL A 58 -9.421 19.772 -1.658 1.00 1.00 H new ATOM 0 HB VAL A 58 -7.788 20.436 -4.113 1.00 1.22 H new ATOM 0 HG11 VAL A 58 -9.308 18.931 -5.390 1.00 2.33 H new ATOM 0 HG12 VAL A 58 -8.343 18.054 -4.178 1.00 2.33 H new ATOM 0 HG13 VAL A 58 -10.056 18.418 -3.859 1.00 2.33 H new ATOM 0 HG21 VAL A 58 -9.993 21.220 -5.049 1.00 2.16 H new ATOM 0 HG22 VAL A 58 -10.759 20.856 -3.484 1.00 2.16 H new ATOM 0 HG23 VAL A 58 -9.522 22.131 -3.595 1.00 2.16 H new ATOM 901 N MET A 59 -7.929 17.747 -1.380 1.00 0.80 N ATOM 902 CA MET A 59 -7.137 16.513 -1.279 1.00 0.87 C ATOM 903 C MET A 59 -7.453 15.583 -2.452 1.00 0.87 C ATOM 904 O MET A 59 -8.569 15.598 -2.972 1.00 1.02 O ATOM 905 CB MET A 59 -7.385 15.832 0.071 1.00 1.12 C ATOM 906 CG MET A 59 -6.634 16.592 1.168 1.00 1.09 C ATOM 907 SD MET A 59 -7.029 16.030 2.842 1.00 2.10 S ATOM 908 CE MET A 59 -5.608 16.706 3.735 1.00 2.42 C ATOM 0 H MET A 59 -8.880 17.648 -1.024 1.00 0.80 H new ATOM 0 HA MET A 59 -6.077 16.762 -1.332 1.00 0.87 H new ATOM 0 HB2 MET A 59 -8.452 15.814 0.291 1.00 1.12 H new ATOM 0 HB3 MET A 59 -7.049 14.796 0.036 1.00 1.12 H new ATOM 0 HG2 MET A 59 -5.562 16.486 1.002 1.00 1.09 H new ATOM 0 HG3 MET A 59 -6.866 17.654 1.086 1.00 1.09 H new ATOM 0 HE1 MET A 59 -5.688 16.452 4.792 1.00 2.42 H new ATOM 0 HE2 MET A 59 -4.689 16.284 3.329 1.00 2.42 H new ATOM 0 HE3 MET A 59 -5.590 17.790 3.622 1.00 2.42 H new ATOM 918 N GLY A 60 -6.457 14.798 -2.868 1.00 0.85 N ATOM 919 CA GLY A 60 -6.546 13.928 -4.035 1.00 0.85 C ATOM 920 C GLY A 60 -5.595 12.741 -3.986 1.00 0.67 C ATOM 921 O GLY A 60 -4.869 12.529 -3.016 1.00 0.65 O ATOM 0 H GLY A 60 -5.555 14.751 -2.395 1.00 0.85 H new ATOM 0 HA2 GLY A 60 -7.568 13.560 -4.126 1.00 0.85 H new ATOM 0 HA3 GLY A 60 -6.337 14.513 -4.930 1.00 0.85 H new ATOM 925 N MET A 61 -5.648 11.946 -5.049 1.00 0.61 N ATOM 926 CA MET A 61 -4.976 10.663 -5.190 1.00 0.55 C ATOM 927 C MET A 61 -4.860 10.302 -6.651 1.00 0.63 C ATOM 928 O MET A 61 -5.706 10.644 -7.480 1.00 0.71 O ATOM 929 CB MET A 61 -5.782 9.628 -4.380 1.00 0.62 C ATOM 930 CG MET A 61 -5.500 8.152 -4.681 1.00 0.55 C ATOM 931 SD MET A 61 -6.848 6.981 -4.306 1.00 0.51 S ATOM 932 CE MET A 61 -7.475 7.651 -2.749 1.00 0.65 C ATOM 0 H MET A 61 -6.189 12.194 -5.877 1.00 0.61 H new ATOM 0 HA MET A 61 -3.958 10.695 -4.802 1.00 0.55 H new ATOM 0 HB2 MET A 61 -5.593 9.802 -3.321 1.00 0.62 H new ATOM 0 HB3 MET A 61 -6.843 9.814 -4.549 1.00 0.62 H new ATOM 0 HG2 MET A 61 -5.250 8.060 -5.738 1.00 0.55 H new ATOM 0 HG3 MET A 61 -4.617 7.850 -4.117 1.00 0.55 H new ATOM 0 HE1 MET A 61 -8.165 6.938 -2.298 1.00 0.65 H new ATOM 0 HE2 MET A 61 -6.643 7.830 -2.069 1.00 0.65 H new ATOM 0 HE3 MET A 61 -7.996 8.589 -2.940 1.00 0.65 H new ATOM 942 N ARG A 62 -3.769 9.607 -6.941 1.00 0.63 N ATOM 943 CA ARG A 62 -3.250 9.423 -8.275 1.00 0.67 C ATOM 944 C ARG A 62 -2.386 8.154 -8.319 1.00 0.60 C ATOM 945 O ARG A 62 -1.831 7.753 -7.295 1.00 0.56 O ATOM 946 CB ARG A 62 -2.430 10.690 -8.592 1.00 0.94 C ATOM 947 CG ARG A 62 -2.972 11.468 -9.783 1.00 1.45 C ATOM 948 CD ARG A 62 -1.864 12.024 -10.696 1.00 1.63 C ATOM 949 NE ARG A 62 -0.888 10.992 -11.105 1.00 2.89 N ATOM 950 CZ ARG A 62 -0.258 10.858 -12.265 1.00 3.96 C ATOM 951 NH1 ARG A 62 -0.451 11.676 -13.280 1.00 3.97 N ATOM 952 NH2 ARG A 62 0.598 9.869 -12.405 1.00 5.35 N ATOM 0 H ARG A 62 -3.208 9.144 -6.226 1.00 0.63 H new ATOM 0 HA ARG A 62 -4.039 9.291 -9.016 1.00 0.67 H new ATOM 0 HB2 ARG A 62 -2.420 11.338 -7.716 1.00 0.94 H new ATOM 0 HB3 ARG A 62 -1.396 10.407 -8.790 1.00 0.94 H new ATOM 0 HG2 ARG A 62 -3.624 10.819 -10.367 1.00 1.45 H new ATOM 0 HG3 ARG A 62 -3.585 12.294 -9.422 1.00 1.45 H new ATOM 0 HD2 ARG A 62 -2.318 12.461 -11.585 1.00 1.63 H new ATOM 0 HD3 ARG A 62 -1.341 12.827 -10.177 1.00 1.63 H new ATOM 0 HE ARG A 62 -0.669 10.288 -10.400 1.00 2.89 H new ATOM 0 HH11 ARG A 62 -1.108 12.452 -13.192 1.00 3.97 H new ATOM 0 HH12 ARG A 62 0.056 11.534 -14.153 1.00 3.97 H new ATOM 0 HH21 ARG A 62 0.765 9.226 -11.631 1.00 5.35 H new ATOM 0 HH22 ARG A 62 1.095 9.745 -13.287 1.00 5.35 H new ATOM 966 N PRO A 63 -2.259 7.487 -9.480 1.00 0.65 N ATOM 967 CA PRO A 63 -1.401 6.320 -9.616 1.00 0.65 C ATOM 968 C PRO A 63 0.055 6.719 -9.872 1.00 0.64 C ATOM 969 O PRO A 63 0.328 7.813 -10.372 1.00 0.68 O ATOM 970 CB PRO A 63 -1.987 5.530 -10.778 1.00 0.74 C ATOM 971 CG PRO A 63 -2.492 6.641 -11.701 1.00 0.80 C ATOM 972 CD PRO A 63 -2.992 7.708 -10.719 1.00 0.76 C ATOM 0 HA PRO A 63 -1.375 5.726 -8.702 1.00 0.65 H new ATOM 0 HB2 PRO A 63 -1.238 4.905 -11.265 1.00 0.74 H new ATOM 0 HB3 PRO A 63 -2.793 4.870 -10.457 1.00 0.74 H new ATOM 0 HG2 PRO A 63 -1.698 7.024 -12.343 1.00 0.80 H new ATOM 0 HG3 PRO A 63 -3.290 6.290 -12.356 1.00 0.80 H new ATOM 0 HD2 PRO A 63 -2.811 8.711 -11.106 1.00 0.76 H new ATOM 0 HD3 PRO A 63 -4.066 7.618 -10.558 1.00 0.76 H new ATOM 980 N VAL A 64 0.972 5.797 -9.560 1.00 0.63 N ATOM 981 CA VAL A 64 2.436 5.957 -9.686 1.00 0.60 C ATOM 982 C VAL A 64 3.092 4.618 -10.094 1.00 0.58 C ATOM 983 O VAL A 64 2.473 3.573 -9.901 1.00 0.64 O ATOM 984 CB VAL A 64 3.082 6.513 -8.385 1.00 0.59 C ATOM 985 CG1 VAL A 64 3.132 8.048 -8.413 1.00 0.85 C ATOM 986 CG2 VAL A 64 2.388 6.037 -7.100 1.00 1.01 C ATOM 0 H VAL A 64 0.711 4.880 -9.198 1.00 0.63 H new ATOM 0 HA VAL A 64 2.616 6.692 -10.470 1.00 0.60 H new ATOM 0 HB VAL A 64 4.095 6.110 -8.363 1.00 0.59 H new ATOM 0 HG11 VAL A 64 3.588 8.414 -7.493 1.00 0.85 H new ATOM 0 HG12 VAL A 64 3.724 8.377 -9.267 1.00 0.85 H new ATOM 0 HG13 VAL A 64 2.120 8.443 -8.499 1.00 0.85 H new ATOM 0 HG21 VAL A 64 2.893 6.465 -6.234 1.00 1.01 H new ATOM 0 HG22 VAL A 64 1.347 6.359 -7.108 1.00 1.01 H new ATOM 0 HG23 VAL A 64 2.431 4.949 -7.045 1.00 1.01 H new ATOM 996 N PRO A 65 4.300 4.629 -10.704 1.00 0.55 N ATOM 997 CA PRO A 65 4.871 3.458 -11.373 1.00 0.57 C ATOM 998 C PRO A 65 5.592 2.503 -10.417 1.00 0.55 C ATOM 999 O PRO A 65 5.595 1.303 -10.665 1.00 0.63 O ATOM 1000 CB PRO A 65 5.821 4.037 -12.423 1.00 0.60 C ATOM 1001 CG PRO A 65 6.342 5.311 -11.762 1.00 0.57 C ATOM 1002 CD PRO A 65 5.130 5.801 -10.968 1.00 0.55 C ATOM 0 HA PRO A 65 4.088 2.840 -11.813 1.00 0.57 H new ATOM 0 HB2 PRO A 65 6.630 3.346 -12.658 1.00 0.60 H new ATOM 0 HB3 PRO A 65 5.304 4.252 -13.358 1.00 0.60 H new ATOM 0 HG2 PRO A 65 7.196 5.111 -11.114 1.00 0.57 H new ATOM 0 HG3 PRO A 65 6.666 6.045 -12.499 1.00 0.57 H new ATOM 0 HD2 PRO A 65 5.443 6.272 -10.036 1.00 0.55 H new ATOM 0 HD3 PRO A 65 4.574 6.550 -11.533 1.00 0.55 H new ATOM 1010 N PHE A 66 6.195 3.032 -9.346 1.00 0.49 N ATOM 1011 CA PHE A 66 6.958 2.296 -8.333 1.00 0.48 C ATOM 1012 C PHE A 66 7.359 3.218 -7.173 1.00 0.49 C ATOM 1013 O PHE A 66 7.317 4.443 -7.304 1.00 0.53 O ATOM 1014 CB PHE A 66 8.206 1.636 -8.951 1.00 0.55 C ATOM 1015 CG PHE A 66 9.202 2.618 -9.526 1.00 0.62 C ATOM 1016 CD1 PHE A 66 10.149 3.218 -8.680 1.00 1.56 C ATOM 1017 CD2 PHE A 66 9.146 2.979 -10.881 1.00 2.18 C ATOM 1018 CE1 PHE A 66 11.022 4.197 -9.165 1.00 1.55 C ATOM 1019 CE2 PHE A 66 10.040 3.943 -11.384 1.00 2.24 C ATOM 1020 CZ PHE A 66 10.974 4.559 -10.526 1.00 0.76 C ATOM 0 H PHE A 66 6.162 4.033 -9.154 1.00 0.49 H new ATOM 0 HA PHE A 66 6.315 1.508 -7.940 1.00 0.48 H new ATOM 0 HB2 PHE A 66 8.702 1.036 -8.188 1.00 0.55 H new ATOM 0 HB3 PHE A 66 7.890 0.952 -9.739 1.00 0.55 H new ATOM 0 HD1 PHE A 66 10.204 2.920 -7.643 1.00 1.56 H new ATOM 0 HD2 PHE A 66 8.420 2.519 -11.535 1.00 2.18 H new ATOM 0 HE1 PHE A 66 11.728 4.673 -8.501 1.00 1.55 H new ATOM 0 HE2 PHE A 66 10.010 4.211 -12.430 1.00 2.24 H new ATOM 0 HZ PHE A 66 11.651 5.307 -10.911 1.00 0.76 H new ATOM 1030 N LEU A 67 7.821 2.620 -6.071 1.00 0.49 N ATOM 1031 CA LEU A 67 8.588 3.298 -5.016 1.00 0.58 C ATOM 1032 C LEU A 67 10.046 2.829 -5.012 1.00 0.67 C ATOM 1033 O LEU A 67 10.335 1.713 -5.436 1.00 0.69 O ATOM 1034 CB LEU A 67 7.976 3.031 -3.630 1.00 0.60 C ATOM 1035 CG LEU A 67 6.470 3.306 -3.492 1.00 0.58 C ATOM 1036 CD1 LEU A 67 6.062 3.059 -2.039 1.00 0.62 C ATOM 1037 CD2 LEU A 67 6.085 4.737 -3.883 1.00 0.62 C ATOM 0 H LEU A 67 7.670 1.629 -5.881 1.00 0.49 H new ATOM 0 HA LEU A 67 8.551 4.367 -5.227 1.00 0.58 H new ATOM 0 HB2 LEU A 67 8.160 1.989 -3.369 1.00 0.60 H new ATOM 0 HB3 LEU A 67 8.505 3.641 -2.898 1.00 0.60 H new ATOM 0 HG LEU A 67 5.949 2.636 -4.176 1.00 0.58 H new ATOM 0 HD11 LEU A 67 4.995 3.250 -1.923 1.00 0.62 H new ATOM 0 HD12 LEU A 67 6.277 2.024 -1.772 1.00 0.62 H new ATOM 0 HD13 LEU A 67 6.623 3.727 -1.385 1.00 0.62 H new ATOM 0 HD21 LEU A 67 5.010 4.870 -3.765 1.00 0.62 H new ATOM 0 HD22 LEU A 67 6.611 5.444 -3.241 1.00 0.62 H new ATOM 0 HD23 LEU A 67 6.360 4.917 -4.922 1.00 0.62 H new ATOM 1049 N GLU A 68 10.942 3.672 -4.501 1.00 0.75 N ATOM 1050 CA GLU A 68 12.369 3.388 -4.326 1.00 0.83 C ATOM 1051 C GLU A 68 12.705 3.444 -2.834 1.00 0.86 C ATOM 1052 O GLU A 68 12.245 4.367 -2.157 1.00 0.95 O ATOM 1053 CB GLU A 68 13.201 4.462 -5.053 1.00 0.95 C ATOM 1054 CG GLU A 68 14.713 4.170 -5.034 1.00 1.05 C ATOM 1055 CD GLU A 68 15.133 3.219 -6.163 1.00 1.06 C ATOM 1056 OE1 GLU A 68 14.315 2.391 -6.612 1.00 2.15 O ATOM 1057 OE2 GLU A 68 16.267 3.338 -6.676 1.00 1.86 O ATOM 0 H GLU A 68 10.686 4.607 -4.185 1.00 0.75 H new ATOM 0 HA GLU A 68 12.597 2.403 -4.734 1.00 0.83 H new ATOM 0 HB2 GLU A 68 12.864 4.536 -6.087 1.00 0.95 H new ATOM 0 HB3 GLU A 68 13.018 5.431 -4.588 1.00 0.95 H new ATOM 0 HG2 GLU A 68 15.263 5.106 -5.126 1.00 1.05 H new ATOM 0 HG3 GLU A 68 14.985 3.733 -4.073 1.00 1.05 H new ATOM 1064 N VAL A 69 13.519 2.509 -2.326 1.00 0.83 N ATOM 1065 CA VAL A 69 14.007 2.559 -0.934 1.00 0.85 C ATOM 1066 C VAL A 69 15.406 1.927 -0.748 1.00 0.81 C ATOM 1067 O VAL A 69 15.621 0.809 -1.209 1.00 0.83 O ATOM 1068 CB VAL A 69 13.011 1.875 0.049 1.00 0.88 C ATOM 1069 CG1 VAL A 69 13.391 2.141 1.522 1.00 1.01 C ATOM 1070 CG2 VAL A 69 11.536 2.292 -0.107 1.00 1.06 C ATOM 0 H VAL A 69 13.856 1.706 -2.857 1.00 0.83 H new ATOM 0 HA VAL A 69 14.086 3.621 -0.703 1.00 0.85 H new ATOM 0 HB VAL A 69 13.097 0.821 -0.216 1.00 0.88 H new ATOM 0 HG11 VAL A 69 12.673 1.648 2.178 1.00 1.01 H new ATOM 0 HG12 VAL A 69 14.389 1.749 1.717 1.00 1.01 H new ATOM 0 HG13 VAL A 69 13.379 3.214 1.713 1.00 1.01 H new ATOM 0 HG21 VAL A 69 10.928 1.759 0.624 1.00 1.06 H new ATOM 0 HG22 VAL A 69 11.442 3.365 0.057 1.00 1.06 H new ATOM 0 HG23 VAL A 69 11.193 2.047 -1.112 1.00 1.06 H new ATOM 1080 N PRO A 70 16.361 2.588 -0.057 1.00 0.91 N ATOM 1081 CA PRO A 70 17.733 2.097 0.127 1.00 1.05 C ATOM 1082 C PRO A 70 17.855 0.903 1.106 1.00 1.08 C ATOM 1083 O PRO A 70 16.902 0.595 1.825 1.00 1.09 O ATOM 1084 CB PRO A 70 18.519 3.318 0.636 1.00 1.21 C ATOM 1085 CG PRO A 70 17.470 4.139 1.373 1.00 1.13 C ATOM 1086 CD PRO A 70 16.236 3.928 0.506 1.00 1.04 C ATOM 0 HA PRO A 70 18.119 1.697 -0.811 1.00 1.05 H new ATOM 0 HB2 PRO A 70 19.334 3.023 1.297 1.00 1.21 H new ATOM 0 HB3 PRO A 70 18.963 3.880 -0.186 1.00 1.21 H new ATOM 0 HG2 PRO A 70 17.318 3.785 2.393 1.00 1.13 H new ATOM 0 HG3 PRO A 70 17.747 5.191 1.439 1.00 1.13 H new ATOM 0 HD2 PRO A 70 15.325 4.019 1.097 1.00 1.04 H new ATOM 0 HD3 PRO A 70 16.181 4.678 -0.283 1.00 1.04 H new ATOM 1094 N PRO A 71 19.036 0.248 1.175 1.00 1.13 N ATOM 1095 CA PRO A 71 19.372 -0.725 2.218 1.00 1.05 C ATOM 1096 C PRO A 71 19.326 -0.100 3.615 1.00 0.96 C ATOM 1097 O PRO A 71 19.632 1.079 3.764 1.00 1.05 O ATOM 1098 CB PRO A 71 20.760 -1.266 1.856 1.00 1.19 C ATOM 1099 CG PRO A 71 21.378 -0.189 0.975 1.00 1.30 C ATOM 1100 CD PRO A 71 20.172 0.430 0.277 1.00 1.27 C ATOM 0 HA PRO A 71 18.644 -1.535 2.258 1.00 1.05 H new ATOM 0 HB2 PRO A 71 21.362 -1.441 2.748 1.00 1.19 H new ATOM 0 HB3 PRO A 71 20.689 -2.217 1.328 1.00 1.19 H new ATOM 0 HG2 PRO A 71 21.924 0.548 1.564 1.00 1.30 H new ATOM 0 HG3 PRO A 71 22.084 -0.611 0.260 1.00 1.30 H new ATOM 0 HD2 PRO A 71 20.341 1.488 0.075 1.00 1.27 H new ATOM 0 HD3 PRO A 71 19.989 -0.053 -0.683 1.00 1.27 H new ATOM 1108 N LYS A 72 18.927 -0.883 4.633 1.00 0.88 N ATOM 1109 CA LYS A 72 18.737 -0.461 6.037 1.00 0.94 C ATOM 1110 C LYS A 72 17.515 0.467 6.259 1.00 1.04 C ATOM 1111 O LYS A 72 17.167 0.766 7.398 1.00 1.22 O ATOM 1112 CB LYS A 72 20.026 0.157 6.622 1.00 1.13 C ATOM 1113 CG LYS A 72 21.368 -0.486 6.215 1.00 1.35 C ATOM 1114 CD LYS A 72 21.480 -1.989 6.505 1.00 1.19 C ATOM 1115 CE LYS A 72 22.760 -2.547 5.858 1.00 1.38 C ATOM 1116 NZ LYS A 72 22.855 -4.024 5.980 1.00 1.58 N ATOM 0 H LYS A 72 18.718 -1.872 4.496 1.00 0.88 H new ATOM 0 HA LYS A 72 18.513 -1.376 6.586 1.00 0.94 H new ATOM 0 HB2 LYS A 72 20.056 1.208 6.336 1.00 1.13 H new ATOM 0 HB3 LYS A 72 19.952 0.124 7.709 1.00 1.13 H new ATOM 0 HG2 LYS A 72 21.523 -0.324 5.148 1.00 1.35 H new ATOM 0 HG3 LYS A 72 22.174 0.031 6.736 1.00 1.35 H new ATOM 0 HD2 LYS A 72 21.500 -2.161 7.581 1.00 1.19 H new ATOM 0 HD3 LYS A 72 20.606 -2.511 6.115 1.00 1.19 H new ATOM 0 HE2 LYS A 72 22.783 -2.269 4.804 1.00 1.38 H new ATOM 0 HE3 LYS A 72 23.631 -2.089 6.327 1.00 1.38 H new ATOM 0 HZ1 LYS A 72 23.627 -4.270 6.632 1.00 1.58 H new ATOM 0 HZ2 LYS A 72 21.958 -4.400 6.348 1.00 1.58 H new ATOM 0 HZ3 LYS A 72 23.047 -4.438 5.045 1.00 1.58 H new ATOM 1130 N GLY A 73 16.859 0.921 5.181 1.00 1.07 N ATOM 1131 CA GLY A 73 15.681 1.800 5.209 1.00 1.22 C ATOM 1132 C GLY A 73 14.353 1.040 5.296 1.00 1.17 C ATOM 1133 O GLY A 73 14.210 -0.057 4.753 1.00 1.19 O ATOM 0 H GLY A 73 17.144 0.678 4.232 1.00 1.07 H new ATOM 0 HA2 GLY A 73 15.761 2.474 6.062 1.00 1.22 H new ATOM 0 HA3 GLY A 73 15.678 2.419 4.312 1.00 1.22 H new ATOM 1137 N ARG A 74 13.354 1.649 5.947 1.00 1.26 N ATOM 1138 CA ARG A 74 12.006 1.125 6.088 1.00 1.22 C ATOM 1139 C ARG A 74 11.156 1.390 4.834 1.00 1.98 C ATOM 1140 O ARG A 74 11.062 2.513 4.340 1.00 2.59 O ATOM 1141 CB ARG A 74 11.424 1.724 7.370 1.00 1.44 C ATOM 1142 CG ARG A 74 10.087 1.090 7.722 1.00 2.48 C ATOM 1143 CD ARG A 74 9.598 1.475 9.124 1.00 2.02 C ATOM 1144 NE ARG A 74 9.457 0.300 10.006 1.00 2.65 N ATOM 1145 CZ ARG A 74 8.396 -0.004 10.741 1.00 3.39 C ATOM 1146 NH1 ARG A 74 7.288 0.694 10.708 1.00 3.84 N ATOM 1147 NH2 ARG A 74 8.446 -1.057 11.519 1.00 4.27 N ATOM 0 H ARG A 74 13.475 2.553 6.404 1.00 1.26 H new ATOM 0 HA ARG A 74 12.012 0.039 6.176 1.00 1.22 H new ATOM 0 HB2 ARG A 74 12.125 1.579 8.192 1.00 1.44 H new ATOM 0 HB3 ARG A 74 11.297 2.799 7.246 1.00 1.44 H new ATOM 0 HG2 ARG A 74 9.342 1.392 6.986 1.00 2.48 H new ATOM 0 HG3 ARG A 74 10.176 0.006 7.658 1.00 2.48 H new ATOM 0 HD2 ARG A 74 10.299 2.181 9.571 1.00 2.02 H new ATOM 0 HD3 ARG A 74 8.638 1.985 9.045 1.00 2.02 H new ATOM 0 HE ARG A 74 10.251 -0.339 10.055 1.00 2.65 H new ATOM 0 HH11 ARG A 74 7.217 1.509 10.099 1.00 3.84 H new ATOM 0 HH12 ARG A 74 6.497 0.422 11.291 1.00 3.84 H new ATOM 0 HH21 ARG A 74 9.291 -1.627 11.552 1.00 4.27 H new ATOM 0 HH22 ARG A 74 7.640 -1.307 12.092 1.00 4.27 H new ATOM 1161 N VAL A 75 10.532 0.331 4.341 1.00 2.34 N ATOM 1162 CA VAL A 75 9.904 0.179 3.020 1.00 3.50 C ATOM 1163 C VAL A 75 8.388 0.172 3.203 1.00 2.96 C ATOM 1164 O VAL A 75 7.755 -0.877 3.307 1.00 2.85 O ATOM 1165 CB VAL A 75 10.374 -1.125 2.326 1.00 4.75 C ATOM 1166 CG1 VAL A 75 9.851 -1.242 0.884 1.00 5.94 C ATOM 1167 CG2 VAL A 75 11.901 -1.283 2.296 1.00 5.42 C ATOM 0 H VAL A 75 10.439 -0.521 4.895 1.00 2.34 H new ATOM 0 HA VAL A 75 10.198 1.011 2.381 1.00 3.50 H new ATOM 0 HB VAL A 75 9.951 -1.922 2.938 1.00 4.75 H new ATOM 0 HG11 VAL A 75 10.208 -2.172 0.442 1.00 5.94 H new ATOM 0 HG12 VAL A 75 8.761 -1.238 0.891 1.00 5.94 H new ATOM 0 HG13 VAL A 75 10.213 -0.399 0.296 1.00 5.94 H new ATOM 0 HG21 VAL A 75 12.160 -2.216 1.796 1.00 5.42 H new ATOM 0 HG22 VAL A 75 12.343 -0.447 1.754 1.00 5.42 H new ATOM 0 HG23 VAL A 75 12.285 -1.298 3.316 1.00 5.42 H new ATOM 1177 N GLU A 76 7.808 1.365 3.333 1.00 2.78 N ATOM 1178 CA GLU A 76 6.511 1.517 3.962 1.00 2.06 C ATOM 1179 C GLU A 76 5.603 2.514 3.230 1.00 1.64 C ATOM 1180 O GLU A 76 5.926 3.701 3.080 1.00 1.68 O ATOM 1181 CB GLU A 76 6.806 1.913 5.403 1.00 2.34 C ATOM 1182 CG GLU A 76 5.548 2.117 6.215 1.00 2.47 C ATOM 1183 CD GLU A 76 5.973 2.413 7.637 1.00 2.75 C ATOM 1184 OE1 GLU A 76 6.265 3.595 7.916 1.00 2.63 O ATOM 1185 OE2 GLU A 76 6.133 1.421 8.385 1.00 4.12 O ATOM 0 H GLU A 76 8.223 2.238 3.008 1.00 2.78 H new ATOM 0 HA GLU A 76 5.939 0.590 3.922 1.00 2.06 H new ATOM 0 HB2 GLU A 76 7.416 1.140 5.871 1.00 2.34 H new ATOM 0 HB3 GLU A 76 7.393 2.831 5.411 1.00 2.34 H new ATOM 0 HG2 GLU A 76 4.959 2.940 5.811 1.00 2.47 H new ATOM 0 HG3 GLU A 76 4.919 1.227 6.179 1.00 2.47 H new ATOM 1192 N LEU A 77 4.428 2.018 2.834 1.00 1.31 N ATOM 1193 CA LEU A 77 3.365 2.792 2.204 1.00 1.00 C ATOM 1194 C LEU A 77 2.593 3.530 3.295 1.00 1.18 C ATOM 1195 O LEU A 77 1.595 3.063 3.837 1.00 2.03 O ATOM 1196 CB LEU A 77 2.479 1.900 1.322 1.00 0.93 C ATOM 1197 CG LEU A 77 3.135 1.577 -0.034 1.00 0.97 C ATOM 1198 CD1 LEU A 77 4.156 0.433 0.015 1.00 1.13 C ATOM 1199 CD2 LEU A 77 2.049 1.227 -1.050 1.00 1.22 C ATOM 0 H LEU A 77 4.186 1.034 2.949 1.00 1.31 H new ATOM 0 HA LEU A 77 3.784 3.536 1.526 1.00 1.00 H new ATOM 0 HB2 LEU A 77 2.265 0.970 1.849 1.00 0.93 H new ATOM 0 HB3 LEU A 77 1.524 2.397 1.151 1.00 0.93 H new ATOM 0 HG LEU A 77 3.686 2.472 -0.323 1.00 0.97 H new ATOM 0 HD11 LEU A 77 4.569 0.271 -0.981 1.00 1.13 H new ATOM 0 HD12 LEU A 77 4.960 0.692 0.704 1.00 1.13 H new ATOM 0 HD13 LEU A 77 3.665 -0.478 0.356 1.00 1.13 H new ATOM 0 HD21 LEU A 77 2.510 0.998 -2.011 1.00 1.22 H new ATOM 0 HD22 LEU A 77 1.489 0.360 -0.700 1.00 1.22 H new ATOM 0 HD23 LEU A 77 1.372 2.073 -1.165 1.00 1.22 H new ATOM 1211 N LYS A 78 3.155 4.681 3.648 1.00 1.36 N ATOM 1212 CA LYS A 78 2.751 5.520 4.769 1.00 1.64 C ATOM 1213 C LYS A 78 1.372 6.196 4.609 1.00 1.52 C ATOM 1214 O LYS A 78 1.031 6.633 3.500 1.00 1.35 O ATOM 1215 CB LYS A 78 3.866 6.547 5.023 1.00 2.10 C ATOM 1216 CG LYS A 78 4.220 7.434 3.806 1.00 2.13 C ATOM 1217 CD LYS A 78 5.579 8.128 4.004 1.00 2.49 C ATOM 1218 CE LYS A 78 6.796 7.321 3.501 1.00 3.32 C ATOM 1219 NZ LYS A 78 7.009 6.020 4.193 1.00 4.01 N ATOM 0 H LYS A 78 3.944 5.073 3.134 1.00 1.36 H new ATOM 0 HA LYS A 78 2.617 4.871 5.635 1.00 1.64 H new ATOM 0 HB2 LYS A 78 3.566 7.191 5.849 1.00 2.10 H new ATOM 0 HB3 LYS A 78 4.763 6.017 5.342 1.00 2.10 H new ATOM 0 HG2 LYS A 78 4.248 6.824 2.903 1.00 2.13 H new ATOM 0 HG3 LYS A 78 3.443 8.184 3.660 1.00 2.13 H new ATOM 0 HD2 LYS A 78 5.559 9.088 3.489 1.00 2.49 H new ATOM 0 HD3 LYS A 78 5.713 8.338 5.065 1.00 2.49 H new ATOM 0 HE2 LYS A 78 6.675 7.134 2.434 1.00 3.32 H new ATOM 0 HE3 LYS A 78 7.692 7.930 3.618 1.00 3.32 H new ATOM 0 HZ1 LYS A 78 7.987 5.701 4.040 1.00 4.01 H new ATOM 0 HZ2 LYS A 78 6.839 6.137 5.212 1.00 4.01 H new ATOM 0 HZ3 LYS A 78 6.350 5.312 3.811 1.00 4.01 H new ATOM 1233 N PRO A 79 0.628 6.366 5.728 1.00 1.83 N ATOM 1234 CA PRO A 79 -0.660 7.045 5.743 1.00 2.04 C ATOM 1235 C PRO A 79 -0.535 8.450 5.165 1.00 2.22 C ATOM 1236 O PRO A 79 0.473 9.127 5.355 1.00 4.09 O ATOM 1237 CB PRO A 79 -1.118 7.085 7.204 1.00 2.57 C ATOM 1238 CG PRO A 79 0.190 6.986 7.981 1.00 2.68 C ATOM 1239 CD PRO A 79 1.022 6.058 7.100 1.00 2.23 C ATOM 0 HA PRO A 79 -1.389 6.519 5.127 1.00 2.04 H new ATOM 0 HB2 PRO A 79 -1.654 8.006 7.433 1.00 2.57 H new ATOM 0 HB3 PRO A 79 -1.789 6.259 7.438 1.00 2.57 H new ATOM 0 HG2 PRO A 79 0.663 7.960 8.107 1.00 2.68 H new ATOM 0 HG3 PRO A 79 0.040 6.573 8.979 1.00 2.68 H new ATOM 0 HD2 PRO A 79 2.088 6.227 7.249 1.00 2.23 H new ATOM 0 HD3 PRO A 79 0.828 5.012 7.339 1.00 2.23 H new ATOM 1247 N GLY A 80 -1.569 8.871 4.441 1.00 1.01 N ATOM 1248 CA GLY A 80 -1.651 10.215 3.873 1.00 1.07 C ATOM 1249 C GLY A 80 -0.798 10.465 2.625 1.00 1.00 C ATOM 1250 O GLY A 80 -0.941 11.544 2.067 1.00 1.60 O ATOM 0 H GLY A 80 -2.378 8.287 4.230 1.00 1.01 H new ATOM 0 HA2 GLY A 80 -2.692 10.421 3.626 1.00 1.07 H new ATOM 0 HA3 GLY A 80 -1.358 10.932 4.640 1.00 1.07 H new ATOM 1254 N GLY A 81 0.053 9.524 2.170 1.00 0.84 N ATOM 1255 CA GLY A 81 0.849 9.736 0.946 1.00 0.80 C ATOM 1256 C GLY A 81 1.043 8.592 -0.033 1.00 0.96 C ATOM 1257 O GLY A 81 1.328 8.868 -1.188 1.00 2.18 O ATOM 0 H GLY A 81 0.205 8.623 2.624 1.00 0.84 H new ATOM 0 HA2 GLY A 81 0.391 10.559 0.398 1.00 0.80 H new ATOM 0 HA3 GLY A 81 1.839 10.071 1.255 1.00 0.80 H new ATOM 1261 N TYR A 82 0.910 7.337 0.386 1.00 0.60 N ATOM 1262 CA TYR A 82 1.070 6.159 -0.486 1.00 0.56 C ATOM 1263 C TYR A 82 0.261 4.952 -0.016 1.00 0.58 C ATOM 1264 O TYR A 82 0.163 4.686 1.178 1.00 0.68 O ATOM 1265 CB TYR A 82 2.540 5.738 -0.585 1.00 0.65 C ATOM 1266 CG TYR A 82 3.415 6.745 -1.292 1.00 0.65 C ATOM 1267 CD1 TYR A 82 3.416 6.797 -2.697 1.00 1.84 C ATOM 1268 CD2 TYR A 82 4.145 7.693 -0.551 1.00 2.08 C ATOM 1269 CE1 TYR A 82 4.154 7.785 -3.364 1.00 1.81 C ATOM 1270 CE2 TYR A 82 4.839 8.721 -1.214 1.00 2.16 C ATOM 1271 CZ TYR A 82 4.845 8.772 -2.628 1.00 0.78 C ATOM 1272 OH TYR A 82 5.485 9.779 -3.285 1.00 0.91 O ATOM 0 H TYR A 82 0.685 7.098 1.352 1.00 0.60 H new ATOM 0 HA TYR A 82 0.695 6.470 -1.461 1.00 0.56 H new ATOM 0 HB2 TYR A 82 2.930 5.574 0.420 1.00 0.65 H new ATOM 0 HB3 TYR A 82 2.601 4.785 -1.111 1.00 0.65 H new ATOM 0 HD1 TYR A 82 2.847 6.075 -3.264 1.00 1.84 H new ATOM 0 HD2 TYR A 82 4.172 7.631 0.527 1.00 2.08 H new ATOM 0 HE1 TYR A 82 4.194 7.791 -4.443 1.00 1.81 H new ATOM 0 HE2 TYR A 82 5.367 9.471 -0.644 1.00 2.16 H new ATOM 0 HH TYR A 82 5.911 10.375 -2.634 1.00 0.91 H new ATOM 1282 N HIS A 83 -0.299 4.214 -0.969 1.00 0.50 N ATOM 1283 CA HIS A 83 -1.025 2.955 -0.749 1.00 0.50 C ATOM 1284 C HIS A 83 -1.165 2.162 -2.063 1.00 0.46 C ATOM 1285 O HIS A 83 -1.202 2.760 -3.138 1.00 0.46 O ATOM 1286 CB HIS A 83 -2.388 3.242 -0.106 1.00 0.62 C ATOM 1287 CG HIS A 83 -3.250 4.155 -0.931 1.00 0.54 C ATOM 1288 ND1 HIS A 83 -3.099 5.515 -1.083 1.00 0.53 N ATOM 1289 CD2 HIS A 83 -4.205 3.743 -1.816 1.00 0.51 C ATOM 1290 CE1 HIS A 83 -3.923 5.915 -2.063 1.00 0.47 C ATOM 1291 NE2 HIS A 83 -4.644 4.874 -2.497 1.00 0.46 N ATOM 0 H HIS A 83 -0.262 4.480 -1.953 1.00 0.50 H new ATOM 0 HA HIS A 83 -0.453 2.332 -0.062 1.00 0.50 H new ATOM 0 HB2 HIS A 83 -2.914 2.300 0.052 1.00 0.62 H new ATOM 0 HB3 HIS A 83 -2.233 3.689 0.876 1.00 0.62 H new ATOM 0 HD1 HIS A 83 -2.471 6.113 -0.545 1.00 0.53 H new ATOM 0 HD2 HIS A 83 -4.553 2.731 -1.960 1.00 0.51 H new ATOM 0 HE1 HIS A 83 -3.994 6.923 -2.444 1.00 0.47 H new ATOM 1299 N PHE A 84 -1.329 0.840 -2.000 1.00 0.55 N ATOM 1300 CA PHE A 84 -1.826 0.081 -3.150 1.00 0.61 C ATOM 1301 C PHE A 84 -3.358 0.144 -3.132 1.00 0.57 C ATOM 1302 O PHE A 84 -3.963 -0.071 -2.083 1.00 0.76 O ATOM 1303 CB PHE A 84 -1.341 -1.373 -3.088 1.00 0.82 C ATOM 1304 CG PHE A 84 0.118 -1.563 -3.457 1.00 0.98 C ATOM 1305 CD1 PHE A 84 0.494 -1.635 -4.811 1.00 2.09 C ATOM 1306 CD2 PHE A 84 1.101 -1.676 -2.456 1.00 1.39 C ATOM 1307 CE1 PHE A 84 1.839 -1.847 -5.162 1.00 2.26 C ATOM 1308 CE2 PHE A 84 2.449 -1.867 -2.807 1.00 1.45 C ATOM 1309 CZ PHE A 84 2.816 -1.967 -4.159 1.00 1.37 C ATOM 0 H PHE A 84 -1.128 0.276 -1.174 1.00 0.55 H new ATOM 0 HA PHE A 84 -1.446 0.511 -4.077 1.00 0.61 H new ATOM 0 HB2 PHE A 84 -1.501 -1.754 -2.079 1.00 0.82 H new ATOM 0 HB3 PHE A 84 -1.954 -1.977 -3.757 1.00 0.82 H new ATOM 0 HD1 PHE A 84 -0.253 -1.527 -5.583 1.00 2.09 H new ATOM 0 HD2 PHE A 84 0.819 -1.616 -1.415 1.00 1.39 H new ATOM 0 HE1 PHE A 84 2.121 -1.918 -6.202 1.00 2.26 H new ATOM 0 HE2 PHE A 84 3.203 -1.937 -2.037 1.00 1.45 H new ATOM 0 HZ PHE A 84 3.848 -2.136 -4.428 1.00 1.37 H new ATOM 1319 N MET A 85 -4.002 0.404 -4.269 1.00 0.49 N ATOM 1320 CA MET A 85 -5.436 0.172 -4.491 1.00 0.47 C ATOM 1321 C MET A 85 -5.627 -1.302 -4.859 1.00 0.47 C ATOM 1322 O MET A 85 -4.874 -1.807 -5.691 1.00 0.51 O ATOM 1323 CB MET A 85 -5.955 1.069 -5.619 1.00 0.55 C ATOM 1324 CG MET A 85 -7.342 1.644 -5.292 1.00 0.64 C ATOM 1325 SD MET A 85 -7.360 2.913 -3.979 1.00 0.47 S ATOM 1326 CE MET A 85 -9.134 2.971 -3.588 1.00 0.49 C ATOM 0 H MET A 85 -3.531 0.793 -5.086 1.00 0.49 H new ATOM 0 HA MET A 85 -5.997 0.412 -3.587 1.00 0.47 H new ATOM 0 HB2 MET A 85 -5.253 1.885 -5.788 1.00 0.55 H new ATOM 0 HB3 MET A 85 -6.007 0.497 -6.545 1.00 0.55 H new ATOM 0 HG2 MET A 85 -7.763 2.076 -6.200 1.00 0.64 H new ATOM 0 HG3 MET A 85 -7.997 0.825 -4.995 1.00 0.64 H new ATOM 0 HE1 MET A 85 -9.309 3.703 -2.800 1.00 0.49 H new ATOM 0 HE2 MET A 85 -9.694 3.256 -4.479 1.00 0.49 H new ATOM 0 HE3 MET A 85 -9.465 1.989 -3.251 1.00 0.49 H new ATOM 1336 N LEU A 86 -6.605 -1.983 -4.262 1.00 0.51 N ATOM 1337 CA LEU A 86 -6.901 -3.399 -4.506 1.00 0.56 C ATOM 1338 C LEU A 86 -8.312 -3.529 -5.100 1.00 0.53 C ATOM 1339 O LEU A 86 -9.252 -2.895 -4.613 1.00 0.57 O ATOM 1340 CB LEU A 86 -6.824 -4.176 -3.178 1.00 0.66 C ATOM 1341 CG LEU A 86 -5.424 -4.531 -2.629 1.00 0.75 C ATOM 1342 CD1 LEU A 86 -4.525 -3.326 -2.316 1.00 0.74 C ATOM 1343 CD2 LEU A 86 -5.626 -5.304 -1.320 1.00 0.86 C ATOM 0 H LEU A 86 -7.230 -1.557 -3.578 1.00 0.51 H new ATOM 0 HA LEU A 86 -6.174 -3.810 -5.206 1.00 0.56 H new ATOM 0 HB2 LEU A 86 -7.343 -3.592 -2.418 1.00 0.66 H new ATOM 0 HB3 LEU A 86 -7.381 -5.105 -3.301 1.00 0.66 H new ATOM 0 HG LEU A 86 -4.920 -5.099 -3.411 1.00 0.75 H new ATOM 0 HD11 LEU A 86 -3.565 -3.677 -1.937 1.00 0.74 H new ATOM 0 HD12 LEU A 86 -4.366 -2.745 -3.225 1.00 0.74 H new ATOM 0 HD13 LEU A 86 -5.005 -2.699 -1.564 1.00 0.74 H new ATOM 0 HD21 LEU A 86 -4.656 -5.572 -0.902 1.00 0.86 H new ATOM 0 HD22 LEU A 86 -6.167 -4.680 -0.609 1.00 0.86 H new ATOM 0 HD23 LEU A 86 -6.199 -6.210 -1.517 1.00 0.86 H new ATOM 1355 N LEU A 87 -8.481 -4.351 -6.137 1.00 0.53 N ATOM 1356 CA LEU A 87 -9.774 -4.595 -6.788 1.00 0.57 C ATOM 1357 C LEU A 87 -10.014 -6.100 -6.988 1.00 0.59 C ATOM 1358 O LEU A 87 -9.074 -6.868 -7.201 1.00 0.60 O ATOM 1359 CB LEU A 87 -9.837 -3.858 -8.146 1.00 0.73 C ATOM 1360 CG LEU A 87 -10.018 -2.323 -8.095 1.00 0.83 C ATOM 1361 CD1 LEU A 87 -8.699 -1.546 -7.925 1.00 1.27 C ATOM 1362 CD2 LEU A 87 -10.668 -1.852 -9.405 1.00 1.64 C ATOM 0 H LEU A 87 -7.713 -4.875 -6.556 1.00 0.53 H new ATOM 0 HA LEU A 87 -10.560 -4.209 -6.139 1.00 0.57 H new ATOM 0 HB2 LEU A 87 -8.920 -4.075 -8.694 1.00 0.73 H new ATOM 0 HB3 LEU A 87 -10.660 -4.279 -8.724 1.00 0.73 H new ATOM 0 HG LEU A 87 -10.638 -2.119 -7.222 1.00 0.83 H new ATOM 0 HD11 LEU A 87 -8.908 -0.476 -7.898 1.00 1.27 H new ATOM 0 HD12 LEU A 87 -8.218 -1.846 -6.994 1.00 1.27 H new ATOM 0 HD13 LEU A 87 -8.037 -1.765 -8.763 1.00 1.27 H new ATOM 0 HD21 LEU A 87 -10.799 -0.770 -9.378 1.00 1.64 H new ATOM 0 HD22 LEU A 87 -10.027 -2.119 -10.245 1.00 1.64 H new ATOM 0 HD23 LEU A 87 -11.639 -2.333 -9.523 1.00 1.64 H new ATOM 1374 N GLY A 88 -11.281 -6.528 -6.950 1.00 0.69 N ATOM 1375 CA GLY A 88 -11.683 -7.911 -7.262 1.00 0.79 C ATOM 1376 C GLY A 88 -11.378 -8.911 -6.144 1.00 0.85 C ATOM 1377 O GLY A 88 -10.909 -10.015 -6.417 1.00 1.02 O ATOM 0 H GLY A 88 -12.064 -5.923 -6.701 1.00 0.69 H new ATOM 0 HA2 GLY A 88 -12.752 -7.930 -7.472 1.00 0.79 H new ATOM 0 HA3 GLY A 88 -11.174 -8.231 -8.171 1.00 0.79 H new ATOM 1381 N LEU A 89 -11.585 -8.503 -4.887 1.00 0.81 N ATOM 1382 CA LEU A 89 -11.367 -9.310 -3.685 1.00 0.85 C ATOM 1383 C LEU A 89 -12.137 -10.631 -3.604 1.00 0.85 C ATOM 1384 O LEU A 89 -13.173 -10.860 -4.221 1.00 1.08 O ATOM 1385 CB LEU A 89 -11.521 -8.461 -2.410 1.00 0.90 C ATOM 1386 CG LEU A 89 -12.776 -7.578 -2.261 1.00 0.96 C ATOM 1387 CD1 LEU A 89 -14.102 -8.344 -2.346 1.00 1.49 C ATOM 1388 CD2 LEU A 89 -12.658 -6.848 -0.923 1.00 1.21 C ATOM 0 H LEU A 89 -11.922 -7.565 -4.673 1.00 0.81 H new ATOM 0 HA LEU A 89 -10.332 -9.640 -3.768 1.00 0.85 H new ATOM 0 HB2 LEU A 89 -11.488 -9.137 -1.556 1.00 0.90 H new ATOM 0 HB3 LEU A 89 -10.648 -7.812 -2.337 1.00 0.90 H new ATOM 0 HG LEU A 89 -12.807 -6.886 -3.103 1.00 0.96 H new ATOM 0 HD11 LEU A 89 -14.933 -7.647 -2.231 1.00 1.49 H new ATOM 0 HD12 LEU A 89 -14.175 -8.839 -3.314 1.00 1.49 H new ATOM 0 HD13 LEU A 89 -14.142 -9.091 -1.553 1.00 1.49 H new ATOM 0 HD21 LEU A 89 -13.530 -6.210 -0.779 1.00 1.21 H new ATOM 0 HD22 LEU A 89 -12.604 -7.577 -0.114 1.00 1.21 H new ATOM 0 HD23 LEU A 89 -11.756 -6.236 -0.921 1.00 1.21 H new ATOM 1400 N LYS A 90 -11.560 -11.522 -2.798 1.00 0.81 N ATOM 1401 CA LYS A 90 -11.962 -12.932 -2.694 1.00 0.85 C ATOM 1402 C LYS A 90 -12.594 -13.292 -1.328 1.00 0.91 C ATOM 1403 O LYS A 90 -13.232 -14.343 -1.173 1.00 0.96 O ATOM 1404 CB LYS A 90 -10.728 -13.788 -3.035 1.00 0.83 C ATOM 1405 CG LYS A 90 -10.033 -13.415 -4.369 1.00 0.87 C ATOM 1406 CD LYS A 90 -10.931 -13.540 -5.610 1.00 1.27 C ATOM 1407 CE LYS A 90 -10.137 -13.198 -6.878 1.00 1.18 C ATOM 1408 NZ LYS A 90 -10.877 -13.516 -8.124 1.00 1.95 N ATOM 0 H LYS A 90 -10.782 -11.282 -2.184 1.00 0.81 H new ATOM 0 HA LYS A 90 -12.763 -13.137 -3.404 1.00 0.85 H new ATOM 0 HB2 LYS A 90 -10.004 -13.697 -2.225 1.00 0.83 H new ATOM 0 HB3 LYS A 90 -11.029 -14.835 -3.077 1.00 0.83 H new ATOM 0 HG2 LYS A 90 -9.669 -12.390 -4.301 1.00 0.87 H new ATOM 0 HG3 LYS A 90 -9.160 -14.055 -4.501 1.00 0.87 H new ATOM 0 HD2 LYS A 90 -11.325 -14.554 -5.682 1.00 1.27 H new ATOM 0 HD3 LYS A 90 -11.787 -12.871 -5.517 1.00 1.27 H new ATOM 0 HE2 LYS A 90 -9.888 -12.137 -6.870 1.00 1.18 H new ATOM 0 HE3 LYS A 90 -9.195 -13.747 -6.870 1.00 1.18 H new ATOM 0 HZ1 LYS A 90 -10.205 -13.808 -8.862 1.00 1.95 H new ATOM 0 HZ2 LYS A 90 -11.548 -14.289 -7.941 1.00 1.95 H new ATOM 0 HZ3 LYS A 90 -11.397 -12.674 -8.443 1.00 1.95 H new ATOM 1422 N ARG A 91 -12.400 -12.424 -0.327 1.00 1.00 N ATOM 1423 CA ARG A 91 -12.906 -12.449 1.056 1.00 1.16 C ATOM 1424 C ARG A 91 -13.584 -11.108 1.421 1.00 1.09 C ATOM 1425 O ARG A 91 -13.502 -10.172 0.630 1.00 1.06 O ATOM 1426 CB ARG A 91 -11.694 -12.650 1.989 1.00 1.39 C ATOM 1427 CG ARG A 91 -11.020 -14.031 1.900 1.00 1.99 C ATOM 1428 CD ARG A 91 -11.942 -15.160 2.361 1.00 2.65 C ATOM 1429 NE ARG A 91 -12.797 -15.647 1.272 1.00 3.91 N ATOM 1430 CZ ARG A 91 -13.536 -16.742 1.208 1.00 5.17 C ATOM 1431 NH1 ARG A 91 -13.569 -17.636 2.174 1.00 5.51 N ATOM 1432 NH2 ARG A 91 -14.254 -16.928 0.120 1.00 6.80 N ATOM 0 H ARG A 91 -11.823 -11.597 -0.481 1.00 1.00 H new ATOM 0 HA ARG A 91 -13.639 -13.249 1.160 1.00 1.16 H new ATOM 0 HB2 ARG A 91 -10.951 -11.886 1.763 1.00 1.39 H new ATOM 0 HB3 ARG A 91 -12.016 -12.486 3.017 1.00 1.39 H new ATOM 0 HG2 ARG A 91 -10.710 -14.216 0.871 1.00 1.99 H new ATOM 0 HG3 ARG A 91 -10.117 -14.031 2.510 1.00 1.99 H new ATOM 0 HD2 ARG A 91 -11.342 -15.984 2.748 1.00 2.65 H new ATOM 0 HD3 ARG A 91 -12.566 -14.807 3.182 1.00 2.65 H new ATOM 0 HE ARG A 91 -12.825 -15.054 0.443 1.00 3.91 H new ATOM 0 HH11 ARG A 91 -13.009 -17.498 3.016 1.00 5.51 H new ATOM 0 HH12 ARG A 91 -14.154 -18.466 2.081 1.00 5.51 H new ATOM 0 HH21 ARG A 91 -14.226 -16.241 -0.633 1.00 6.80 H new ATOM 0 HH22 ARG A 91 -14.838 -17.760 0.030 1.00 6.80 H new ATOM 1446 N PRO A 92 -14.221 -10.996 2.608 1.00 1.62 N ATOM 1447 CA PRO A 92 -14.427 -9.710 3.268 1.00 1.80 C ATOM 1448 C PRO A 92 -13.080 -9.068 3.655 1.00 1.96 C ATOM 1449 O PRO A 92 -12.016 -9.599 3.348 1.00 2.97 O ATOM 1450 CB PRO A 92 -15.308 -10.020 4.490 1.00 2.76 C ATOM 1451 CG PRO A 92 -14.913 -11.449 4.843 1.00 3.15 C ATOM 1452 CD PRO A 92 -14.696 -12.077 3.467 1.00 2.32 C ATOM 0 HA PRO A 92 -14.911 -8.981 2.618 1.00 1.80 H new ATOM 0 HB2 PRO A 92 -15.113 -9.332 5.313 1.00 2.76 H new ATOM 0 HB3 PRO A 92 -16.369 -9.941 4.253 1.00 2.76 H new ATOM 0 HG2 PRO A 92 -14.010 -11.482 5.452 1.00 3.15 H new ATOM 0 HG3 PRO A 92 -15.695 -11.960 5.404 1.00 3.15 H new ATOM 0 HD2 PRO A 92 -13.967 -12.886 3.517 1.00 2.32 H new ATOM 0 HD3 PRO A 92 -15.622 -12.505 3.082 1.00 2.32 H new ATOM 1460 N LEU A 93 -13.173 -7.918 4.326 1.00 1.63 N ATOM 1461 CA LEU A 93 -12.089 -7.077 4.845 1.00 1.76 C ATOM 1462 C LEU A 93 -12.698 -6.045 5.808 1.00 1.87 C ATOM 1463 O LEU A 93 -12.839 -4.849 5.522 1.00 2.49 O ATOM 1464 CB LEU A 93 -11.177 -6.513 3.731 1.00 1.81 C ATOM 1465 CG LEU A 93 -11.728 -5.401 2.823 1.00 1.76 C ATOM 1466 CD1 LEU A 93 -10.733 -5.196 1.683 1.00 2.35 C ATOM 1467 CD2 LEU A 93 -13.136 -5.680 2.273 1.00 3.14 C ATOM 0 H LEU A 93 -14.086 -7.516 4.539 1.00 1.63 H new ATOM 0 HA LEU A 93 -11.385 -7.675 5.423 1.00 1.76 H new ATOM 0 HB2 LEU A 93 -10.271 -6.135 4.204 1.00 1.81 H new ATOM 0 HB3 LEU A 93 -10.880 -7.345 3.093 1.00 1.81 H new ATOM 0 HG LEU A 93 -11.838 -4.499 3.425 1.00 1.76 H new ATOM 0 HD11 LEU A 93 -11.096 -4.411 1.020 1.00 2.35 H new ATOM 0 HD12 LEU A 93 -9.765 -4.906 2.092 1.00 2.35 H new ATOM 0 HD13 LEU A 93 -10.626 -6.124 1.122 1.00 2.35 H new ATOM 0 HD21 LEU A 93 -13.452 -4.849 1.643 1.00 3.14 H new ATOM 0 HD22 LEU A 93 -13.121 -6.597 1.684 1.00 3.14 H new ATOM 0 HD23 LEU A 93 -13.835 -5.792 3.102 1.00 3.14 H new ATOM 1479 N LYS A 94 -13.221 -6.546 6.922 1.00 1.39 N ATOM 1480 CA LYS A 94 -13.838 -5.753 7.983 1.00 1.49 C ATOM 1481 C LYS A 94 -12.858 -5.536 9.154 1.00 1.19 C ATOM 1482 O LYS A 94 -11.815 -6.174 9.267 1.00 1.51 O ATOM 1483 CB LYS A 94 -15.166 -6.419 8.398 1.00 1.83 C ATOM 1484 CG LYS A 94 -16.340 -6.358 7.390 1.00 3.02 C ATOM 1485 CD LYS A 94 -16.021 -6.165 5.897 1.00 4.48 C ATOM 1486 CE LYS A 94 -17.267 -6.167 4.995 1.00 5.95 C ATOM 1487 NZ LYS A 94 -16.911 -5.981 3.561 1.00 7.36 N ATOM 0 H LYS A 94 -13.228 -7.547 7.119 1.00 1.39 H new ATOM 0 HA LYS A 94 -14.074 -4.753 7.620 1.00 1.49 H new ATOM 0 HB2 LYS A 94 -14.963 -7.468 8.616 1.00 1.83 H new ATOM 0 HB3 LYS A 94 -15.497 -5.959 9.329 1.00 1.83 H new ATOM 0 HG2 LYS A 94 -16.910 -7.282 7.490 1.00 3.02 H new ATOM 0 HG3 LYS A 94 -16.997 -5.544 7.696 1.00 3.02 H new ATOM 0 HD2 LYS A 94 -15.490 -5.222 5.767 1.00 4.48 H new ATOM 0 HD3 LYS A 94 -15.347 -6.958 5.573 1.00 4.48 H new ATOM 0 HE2 LYS A 94 -17.803 -7.108 5.117 1.00 5.95 H new ATOM 0 HE3 LYS A 94 -17.944 -5.372 5.308 1.00 5.95 H new ATOM 0 HZ1 LYS A 94 -17.718 -6.254 2.965 1.00 7.36 H new ATOM 0 HZ2 LYS A 94 -16.675 -4.983 3.389 1.00 7.36 H new ATOM 0 HZ3 LYS A 94 -16.091 -6.576 3.327 1.00 7.36 H new ATOM 1501 N ALA A 95 -13.196 -4.579 10.020 1.00 1.14 N ATOM 1502 CA ALA A 95 -12.361 -4.136 11.126 1.00 1.15 C ATOM 1503 C ALA A 95 -12.076 -5.294 12.088 1.00 1.14 C ATOM 1504 O ALA A 95 -13.000 -5.896 12.633 1.00 1.29 O ATOM 1505 CB ALA A 95 -13.060 -2.964 11.821 1.00 1.27 C ATOM 0 H ALA A 95 -14.084 -4.080 9.965 1.00 1.14 H new ATOM 0 HA ALA A 95 -11.393 -3.798 10.757 1.00 1.15 H new ATOM 0 HB1 ALA A 95 -12.448 -2.618 12.654 1.00 1.27 H new ATOM 0 HB2 ALA A 95 -13.199 -2.150 11.110 1.00 1.27 H new ATOM 0 HB3 ALA A 95 -14.031 -3.289 12.194 1.00 1.27 H new ATOM 1511 N GLY A 96 -10.790 -5.575 12.279 1.00 1.08 N ATOM 1512 CA GLY A 96 -10.276 -6.626 13.163 1.00 1.16 C ATOM 1513 C GLY A 96 -10.002 -7.963 12.470 1.00 1.14 C ATOM 1514 O GLY A 96 -9.645 -8.917 13.154 1.00 1.54 O ATOM 0 H GLY A 96 -10.047 -5.060 11.807 1.00 1.08 H new ATOM 0 HA2 GLY A 96 -9.353 -6.275 13.625 1.00 1.16 H new ATOM 0 HA3 GLY A 96 -10.993 -6.789 13.968 1.00 1.16 H new ATOM 1518 N GLU A 97 -10.163 -8.043 11.146 1.00 0.91 N ATOM 1519 CA GLU A 97 -9.641 -9.141 10.328 1.00 0.89 C ATOM 1520 C GLU A 97 -8.141 -8.935 10.042 1.00 0.80 C ATOM 1521 O GLU A 97 -7.529 -7.983 10.526 1.00 0.75 O ATOM 1522 CB GLU A 97 -10.445 -9.228 9.025 1.00 0.96 C ATOM 1523 CG GLU A 97 -11.922 -9.594 9.294 1.00 1.18 C ATOM 1524 CD GLU A 97 -12.816 -9.562 8.056 1.00 1.47 C ATOM 1525 OE1 GLU A 97 -12.307 -9.310 6.948 1.00 2.32 O ATOM 1526 OE2 GLU A 97 -14.046 -9.734 8.192 1.00 2.44 O ATOM 0 H GLU A 97 -10.666 -7.339 10.606 1.00 0.91 H new ATOM 0 HA GLU A 97 -9.747 -10.081 10.870 1.00 0.89 H new ATOM 0 HB2 GLU A 97 -10.395 -8.273 8.501 1.00 0.96 H new ATOM 0 HB3 GLU A 97 -9.998 -9.975 8.369 1.00 0.96 H new ATOM 0 HG2 GLU A 97 -11.963 -10.592 9.731 1.00 1.18 H new ATOM 0 HG3 GLU A 97 -12.325 -8.905 10.036 1.00 1.18 H new ATOM 1533 N GLU A 98 -7.544 -9.801 9.223 1.00 0.85 N ATOM 1534 CA GLU A 98 -6.128 -9.846 8.918 1.00 0.83 C ATOM 1535 C GLU A 98 -5.941 -10.532 7.563 1.00 0.74 C ATOM 1536 O GLU A 98 -6.661 -11.460 7.200 1.00 0.94 O ATOM 1537 CB GLU A 98 -5.306 -10.496 10.044 1.00 1.12 C ATOM 1538 CG GLU A 98 -5.685 -11.954 10.344 1.00 1.69 C ATOM 1539 CD GLU A 98 -4.782 -12.533 11.433 1.00 2.28 C ATOM 1540 OE1 GLU A 98 -3.549 -12.490 11.228 1.00 3.07 O ATOM 1541 OE2 GLU A 98 -5.330 -13.034 12.440 1.00 3.09 O ATOM 0 H GLU A 98 -8.069 -10.525 8.733 1.00 0.85 H new ATOM 0 HA GLU A 98 -5.740 -8.830 8.849 1.00 0.83 H new ATOM 0 HB2 GLU A 98 -4.250 -10.455 9.777 1.00 1.12 H new ATOM 0 HB3 GLU A 98 -5.428 -9.907 10.953 1.00 1.12 H new ATOM 0 HG2 GLU A 98 -6.726 -12.006 10.662 1.00 1.69 H new ATOM 0 HG3 GLU A 98 -5.598 -12.552 9.437 1.00 1.69 H new ATOM 1548 N VAL A 99 -5.017 -9.982 6.792 1.00 0.62 N ATOM 1549 CA VAL A 99 -4.843 -10.194 5.351 1.00 0.61 C ATOM 1550 C VAL A 99 -3.361 -10.127 4.964 1.00 0.58 C ATOM 1551 O VAL A 99 -2.629 -9.219 5.356 1.00 0.68 O ATOM 1552 CB VAL A 99 -5.668 -9.144 4.560 1.00 0.71 C ATOM 1553 CG1 VAL A 99 -5.333 -9.155 3.060 1.00 0.93 C ATOM 1554 CG2 VAL A 99 -7.189 -9.361 4.703 1.00 0.79 C ATOM 0 H VAL A 99 -4.324 -9.336 7.171 1.00 0.62 H new ATOM 0 HA VAL A 99 -5.207 -11.190 5.097 1.00 0.61 H new ATOM 0 HB VAL A 99 -5.393 -8.183 4.995 1.00 0.71 H new ATOM 0 HG11 VAL A 99 -5.934 -8.404 2.547 1.00 0.93 H new ATOM 0 HG12 VAL A 99 -4.276 -8.929 2.922 1.00 0.93 H new ATOM 0 HG13 VAL A 99 -5.551 -10.139 2.646 1.00 0.93 H new ATOM 0 HG21 VAL A 99 -7.720 -8.600 4.131 1.00 0.79 H new ATOM 0 HG22 VAL A 99 -7.453 -10.349 4.326 1.00 0.79 H new ATOM 0 HG23 VAL A 99 -7.470 -9.287 5.754 1.00 0.79 H new ATOM 1564 N GLU A 100 -2.938 -11.086 4.138 1.00 0.59 N ATOM 1565 CA GLU A 100 -1.603 -11.141 3.543 1.00 0.62 C ATOM 1566 C GLU A 100 -1.484 -10.172 2.355 1.00 0.59 C ATOM 1567 O GLU A 100 -2.358 -10.142 1.482 1.00 0.60 O ATOM 1568 CB GLU A 100 -1.330 -12.587 3.096 1.00 0.90 C ATOM 1569 CG GLU A 100 0.041 -12.781 2.443 1.00 2.20 C ATOM 1570 CD GLU A 100 0.181 -14.195 1.896 1.00 2.01 C ATOM 1571 OE1 GLU A 100 -0.224 -14.440 0.741 1.00 2.80 O ATOM 1572 OE2 GLU A 100 0.779 -15.058 2.571 1.00 2.13 O ATOM 0 H GLU A 100 -3.532 -11.867 3.857 1.00 0.59 H new ATOM 0 HA GLU A 100 -0.863 -10.834 4.282 1.00 0.62 H new ATOM 0 HB2 GLU A 100 -1.407 -13.246 3.961 1.00 0.90 H new ATOM 0 HB3 GLU A 100 -2.104 -12.893 2.392 1.00 0.90 H new ATOM 0 HG2 GLU A 100 0.171 -12.059 1.637 1.00 2.20 H new ATOM 0 HG3 GLU A 100 0.827 -12.588 3.173 1.00 2.20 H new ATOM 1579 N LEU A 101 -0.363 -9.440 2.289 1.00 0.66 N ATOM 1580 CA LEU A 101 0.126 -8.791 1.070 1.00 0.64 C ATOM 1581 C LEU A 101 1.533 -9.278 0.693 1.00 0.62 C ATOM 1582 O LEU A 101 2.437 -9.369 1.530 1.00 0.73 O ATOM 1583 CB LEU A 101 0.111 -7.251 1.192 1.00 0.71 C ATOM 1584 CG LEU A 101 -1.165 -6.605 0.615 1.00 0.99 C ATOM 1585 CD1 LEU A 101 -2.366 -6.673 1.567 1.00 1.73 C ATOM 1586 CD2 LEU A 101 -0.918 -5.132 0.281 1.00 1.64 C ATOM 0 H LEU A 101 0.238 -9.281 3.097 1.00 0.66 H new ATOM 0 HA LEU A 101 -0.560 -9.075 0.272 1.00 0.64 H new ATOM 0 HB2 LEU A 101 0.206 -6.976 2.242 1.00 0.71 H new ATOM 0 HB3 LEU A 101 0.981 -6.844 0.676 1.00 0.71 H new ATOM 0 HG LEU A 101 -1.402 -7.180 -0.280 1.00 0.99 H new ATOM 0 HD11 LEU A 101 -3.229 -6.200 1.098 1.00 1.73 H new ATOM 0 HD12 LEU A 101 -2.598 -7.715 1.787 1.00 1.73 H new ATOM 0 HD13 LEU A 101 -2.126 -6.152 2.494 1.00 1.73 H new ATOM 0 HD21 LEU A 101 -1.829 -4.693 -0.125 1.00 1.64 H new ATOM 0 HD22 LEU A 101 -0.629 -4.597 1.186 1.00 1.64 H new ATOM 0 HD23 LEU A 101 -0.119 -5.055 -0.456 1.00 1.64 H new ATOM 1598 N ASP A 102 1.697 -9.527 -0.602 1.00 0.58 N ATOM 1599 CA ASP A 102 2.961 -9.692 -1.317 1.00 0.64 C ATOM 1600 C ASP A 102 3.501 -8.322 -1.766 1.00 0.66 C ATOM 1601 O ASP A 102 2.730 -7.447 -2.165 1.00 0.90 O ATOM 1602 CB ASP A 102 2.736 -10.528 -2.586 1.00 0.84 C ATOM 1603 CG ASP A 102 1.989 -11.864 -2.441 1.00 1.37 C ATOM 1604 OD1 ASP A 102 2.651 -12.878 -2.139 1.00 1.69 O ATOM 1605 OD2 ASP A 102 0.776 -11.892 -2.761 1.00 2.49 O ATOM 0 H ASP A 102 0.895 -9.626 -1.224 1.00 0.58 H new ATOM 0 HA ASP A 102 3.666 -10.182 -0.646 1.00 0.64 H new ATOM 0 HB2 ASP A 102 2.187 -9.913 -3.299 1.00 0.84 H new ATOM 0 HB3 ASP A 102 3.711 -10.735 -3.028 1.00 0.84 H new ATOM 1610 N LEU A 103 4.824 -8.157 -1.768 1.00 0.56 N ATOM 1611 CA LEU A 103 5.554 -7.012 -2.298 1.00 0.52 C ATOM 1612 C LEU A 103 6.441 -7.468 -3.470 1.00 0.51 C ATOM 1613 O LEU A 103 7.247 -8.390 -3.328 1.00 0.58 O ATOM 1614 CB LEU A 103 6.418 -6.411 -1.177 1.00 0.54 C ATOM 1615 CG LEU A 103 5.638 -5.681 -0.061 1.00 0.61 C ATOM 1616 CD1 LEU A 103 4.955 -6.614 0.957 1.00 0.67 C ATOM 1617 CD2 LEU A 103 6.636 -4.783 0.688 1.00 0.82 C ATOM 0 H LEU A 103 5.448 -8.862 -1.376 1.00 0.56 H new ATOM 0 HA LEU A 103 4.857 -6.256 -2.660 1.00 0.52 H new ATOM 0 HB2 LEU A 103 7.004 -7.211 -0.724 1.00 0.54 H new ATOM 0 HB3 LEU A 103 7.125 -5.710 -1.622 1.00 0.54 H new ATOM 0 HG LEU A 103 4.835 -5.123 -0.542 1.00 0.61 H new ATOM 0 HD11 LEU A 103 4.431 -6.017 1.704 1.00 0.67 H new ATOM 0 HD12 LEU A 103 4.242 -7.256 0.440 1.00 0.67 H new ATOM 0 HD13 LEU A 103 5.708 -7.230 1.448 1.00 0.67 H new ATOM 0 HD21 LEU A 103 6.118 -4.250 1.486 1.00 0.82 H new ATOM 0 HD22 LEU A 103 7.428 -5.397 1.116 1.00 0.82 H new ATOM 0 HD23 LEU A 103 7.070 -4.064 -0.006 1.00 0.82 H new ATOM 1629 N LEU A 104 6.310 -6.811 -4.629 1.00 0.49 N ATOM 1630 CA LEU A 104 7.022 -7.134 -5.874 1.00 0.48 C ATOM 1631 C LEU A 104 8.170 -6.135 -6.105 1.00 0.50 C ATOM 1632 O LEU A 104 7.938 -4.952 -6.383 1.00 0.52 O ATOM 1633 CB LEU A 104 6.008 -7.133 -7.041 1.00 0.48 C ATOM 1634 CG LEU A 104 4.836 -8.136 -6.917 1.00 0.51 C ATOM 1635 CD1 LEU A 104 3.990 -8.099 -8.197 1.00 0.53 C ATOM 1636 CD2 LEU A 104 5.295 -9.580 -6.668 1.00 0.57 C ATOM 0 H LEU A 104 5.684 -6.012 -4.730 1.00 0.49 H new ATOM 0 HA LEU A 104 7.471 -8.125 -5.808 1.00 0.48 H new ATOM 0 HB2 LEU A 104 5.594 -6.129 -7.136 1.00 0.48 H new ATOM 0 HB3 LEU A 104 6.546 -7.345 -7.965 1.00 0.48 H new ATOM 0 HG LEU A 104 4.253 -7.827 -6.049 1.00 0.51 H new ATOM 0 HD11 LEU A 104 3.165 -8.806 -8.108 1.00 0.53 H new ATOM 0 HD12 LEU A 104 3.593 -7.094 -8.342 1.00 0.53 H new ATOM 0 HD13 LEU A 104 4.610 -8.371 -9.051 1.00 0.53 H new ATOM 0 HD21 LEU A 104 4.424 -10.231 -6.591 1.00 0.57 H new ATOM 0 HD22 LEU A 104 5.923 -9.910 -7.496 1.00 0.57 H new ATOM 0 HD23 LEU A 104 5.865 -9.626 -5.740 1.00 0.57 H new ATOM 1648 N PHE A 105 9.412 -6.619 -6.004 1.00 0.53 N ATOM 1649 CA PHE A 105 10.630 -5.807 -6.005 1.00 0.54 C ATOM 1650 C PHE A 105 11.460 -5.995 -7.284 1.00 0.63 C ATOM 1651 O PHE A 105 12.156 -6.996 -7.447 1.00 1.18 O ATOM 1652 CB PHE A 105 11.462 -6.158 -4.768 1.00 0.57 C ATOM 1653 CG PHE A 105 10.852 -5.686 -3.467 1.00 0.55 C ATOM 1654 CD1 PHE A 105 10.808 -4.310 -3.179 1.00 1.90 C ATOM 1655 CD2 PHE A 105 10.366 -6.616 -2.528 1.00 1.75 C ATOM 1656 CE1 PHE A 105 10.317 -3.865 -1.942 1.00 1.98 C ATOM 1657 CE2 PHE A 105 9.870 -6.168 -1.291 1.00 1.69 C ATOM 1658 CZ PHE A 105 9.852 -4.795 -0.994 1.00 0.66 C ATOM 0 H PHE A 105 9.602 -7.617 -5.917 1.00 0.53 H new ATOM 0 HA PHE A 105 10.339 -4.757 -5.977 1.00 0.54 H new ATOM 0 HB2 PHE A 105 11.594 -7.239 -4.725 1.00 0.57 H new ATOM 0 HB3 PHE A 105 12.454 -5.720 -4.873 1.00 0.57 H new ATOM 0 HD1 PHE A 105 11.153 -3.595 -3.911 1.00 1.90 H new ATOM 0 HD2 PHE A 105 10.374 -7.671 -2.758 1.00 1.75 H new ATOM 0 HE1 PHE A 105 10.296 -2.809 -1.718 1.00 1.98 H new ATOM 0 HE2 PHE A 105 9.502 -6.881 -0.568 1.00 1.69 H new ATOM 0 HZ PHE A 105 9.482 -4.454 -0.039 1.00 0.66 H new ATOM 1668 N ALA A 106 11.414 -4.992 -8.172 1.00 0.67 N ATOM 1669 CA ALA A 106 12.185 -4.900 -9.424 1.00 0.70 C ATOM 1670 C ALA A 106 11.987 -6.096 -10.385 1.00 1.84 C ATOM 1671 O ALA A 106 12.839 -6.357 -11.230 1.00 2.93 O ATOM 1672 CB ALA A 106 13.665 -4.664 -9.074 1.00 1.29 C ATOM 0 H ALA A 106 10.809 -4.183 -8.032 1.00 0.67 H new ATOM 0 HA ALA A 106 11.799 -4.052 -9.991 1.00 0.70 H new ATOM 0 HB1 ALA A 106 14.249 -4.594 -9.992 1.00 1.29 H new ATOM 0 HB2 ALA A 106 13.762 -3.736 -8.510 1.00 1.29 H new ATOM 0 HB3 ALA A 106 14.033 -5.495 -8.472 1.00 1.29 H new ATOM 1678 N GLY A 107 10.915 -6.878 -10.200 1.00 2.53 N ATOM 1679 CA GLY A 107 10.704 -8.192 -10.821 1.00 3.61 C ATOM 1680 C GLY A 107 11.549 -9.284 -10.159 1.00 2.68 C ATOM 1681 O GLY A 107 11.011 -10.258 -9.645 1.00 3.85 O ATOM 0 H GLY A 107 10.144 -6.603 -9.592 1.00 2.53 H new ATOM 0 HA2 GLY A 107 9.649 -8.459 -10.753 1.00 3.61 H new ATOM 0 HA3 GLY A 107 10.951 -8.135 -11.881 1.00 3.61 H new ATOM 1685 N GLY A 108 12.876 -9.103 -10.145 1.00 1.31 N ATOM 1686 CA GLY A 108 13.873 -10.096 -9.713 1.00 1.86 C ATOM 1687 C GLY A 108 14.005 -10.332 -8.202 1.00 1.96 C ATOM 1688 O GLY A 108 15.057 -10.806 -7.765 1.00 3.00 O ATOM 0 H GLY A 108 13.303 -8.227 -10.446 1.00 1.31 H new ATOM 0 HA2 GLY A 108 13.631 -11.048 -10.186 1.00 1.86 H new ATOM 0 HA3 GLY A 108 14.846 -9.789 -10.095 1.00 1.86 H new ATOM 1692 N LYS A 109 13.006 -9.968 -7.390 1.00 1.11 N ATOM 1693 CA LYS A 109 12.792 -10.311 -5.991 1.00 0.99 C ATOM 1694 C LYS A 109 11.316 -10.160 -5.578 1.00 0.94 C ATOM 1695 O LYS A 109 10.622 -9.267 -6.056 1.00 1.00 O ATOM 1696 CB LYS A 109 13.725 -9.444 -5.132 1.00 0.96 C ATOM 1697 CG LYS A 109 14.792 -10.367 -4.563 1.00 1.32 C ATOM 1698 CD LYS A 109 15.997 -9.621 -3.968 1.00 2.00 C ATOM 1699 CE LYS A 109 17.223 -9.658 -4.901 1.00 2.53 C ATOM 1700 NZ LYS A 109 16.918 -9.196 -6.281 1.00 3.06 N ATOM 0 H LYS A 109 12.258 -9.367 -7.736 1.00 1.11 H new ATOM 0 HA LYS A 109 13.031 -11.363 -5.835 1.00 0.99 H new ATOM 0 HB2 LYS A 109 14.178 -8.654 -5.732 1.00 0.96 H new ATOM 0 HB3 LYS A 109 13.169 -8.957 -4.331 1.00 0.96 H new ATOM 0 HG2 LYS A 109 14.345 -10.993 -3.790 1.00 1.32 H new ATOM 0 HG3 LYS A 109 15.141 -11.034 -5.351 1.00 1.32 H new ATOM 0 HD2 LYS A 109 15.721 -8.584 -3.774 1.00 2.00 H new ATOM 0 HD3 LYS A 109 16.260 -10.066 -3.008 1.00 2.00 H new ATOM 0 HE2 LYS A 109 18.011 -9.033 -4.481 1.00 2.53 H new ATOM 0 HE3 LYS A 109 17.611 -10.676 -4.942 1.00 2.53 H new ATOM 0 HZ1 LYS A 109 17.800 -9.130 -6.828 1.00 3.06 H new ATOM 0 HZ2 LYS A 109 16.276 -9.873 -6.740 1.00 3.06 H new ATOM 0 HZ3 LYS A 109 16.464 -8.261 -6.242 1.00 3.06 H new ATOM 1714 N VAL A 110 10.860 -10.995 -4.645 1.00 0.94 N ATOM 1715 CA VAL A 110 9.510 -10.966 -4.065 1.00 0.92 C ATOM 1716 C VAL A 110 9.617 -11.324 -2.577 1.00 0.88 C ATOM 1717 O VAL A 110 10.525 -12.063 -2.190 1.00 0.99 O ATOM 1718 CB VAL A 110 8.545 -11.934 -4.805 1.00 1.01 C ATOM 1719 CG1 VAL A 110 7.141 -11.996 -4.178 1.00 1.85 C ATOM 1720 CG2 VAL A 110 8.402 -11.568 -6.292 1.00 2.24 C ATOM 0 H VAL A 110 11.439 -11.739 -4.255 1.00 0.94 H new ATOM 0 HA VAL A 110 9.091 -9.966 -4.178 1.00 0.92 H new ATOM 0 HB VAL A 110 9.006 -12.917 -4.705 1.00 1.01 H new ATOM 0 HG11 VAL A 110 6.520 -12.690 -4.744 1.00 1.85 H new ATOM 0 HG12 VAL A 110 7.218 -12.337 -3.146 1.00 1.85 H new ATOM 0 HG13 VAL A 110 6.689 -11.004 -4.199 1.00 1.85 H new ATOM 0 HG21 VAL A 110 7.720 -12.267 -6.775 1.00 2.24 H new ATOM 0 HG22 VAL A 110 8.007 -10.556 -6.381 1.00 2.24 H new ATOM 0 HG23 VAL A 110 9.378 -11.621 -6.775 1.00 2.24 H new ATOM 1730 N LEU A 111 8.705 -10.788 -1.763 1.00 0.79 N ATOM 1731 CA LEU A 111 8.531 -11.093 -0.340 1.00 0.81 C ATOM 1732 C LEU A 111 7.066 -10.849 0.042 1.00 0.80 C ATOM 1733 O LEU A 111 6.323 -10.284 -0.752 1.00 1.16 O ATOM 1734 CB LEU A 111 9.503 -10.230 0.495 1.00 0.94 C ATOM 1735 CG LEU A 111 10.452 -11.063 1.380 1.00 1.83 C ATOM 1736 CD1 LEU A 111 11.479 -10.137 2.045 1.00 2.01 C ATOM 1737 CD2 LEU A 111 9.699 -11.851 2.466 1.00 3.18 C ATOM 0 H LEU A 111 8.034 -10.095 -2.094 1.00 0.79 H new ATOM 0 HA LEU A 111 8.765 -12.138 -0.135 1.00 0.81 H new ATOM 0 HB2 LEU A 111 10.096 -9.609 -0.177 1.00 0.94 H new ATOM 0 HB3 LEU A 111 8.927 -9.555 1.128 1.00 0.94 H new ATOM 0 HG LEU A 111 10.950 -11.785 0.733 1.00 1.83 H new ATOM 0 HD11 LEU A 111 12.149 -10.727 2.670 1.00 2.01 H new ATOM 0 HD12 LEU A 111 12.057 -9.624 1.277 1.00 2.01 H new ATOM 0 HD13 LEU A 111 10.961 -9.402 2.661 1.00 2.01 H new ATOM 0 HD21 LEU A 111 10.412 -12.421 3.062 1.00 3.18 H new ATOM 0 HD22 LEU A 111 9.160 -11.157 3.111 1.00 3.18 H new ATOM 0 HD23 LEU A 111 8.992 -12.534 1.996 1.00 3.18 H new ATOM 1749 N LYS A 112 6.637 -11.232 1.248 1.00 0.84 N ATOM 1750 CA LYS A 112 5.248 -11.024 1.687 1.00 0.99 C ATOM 1751 C LYS A 112 5.088 -10.948 3.210 1.00 0.83 C ATOM 1752 O LYS A 112 5.935 -11.458 3.946 1.00 1.02 O ATOM 1753 CB LYS A 112 4.316 -12.047 1.012 1.00 1.60 C ATOM 1754 CG LYS A 112 4.381 -13.514 1.453 1.00 1.47 C ATOM 1755 CD LYS A 112 3.458 -14.261 0.479 1.00 1.95 C ATOM 1756 CE LYS A 112 3.129 -15.702 0.857 1.00 1.57 C ATOM 1757 NZ LYS A 112 1.892 -16.107 0.152 1.00 2.16 N ATOM 0 H LYS A 112 7.230 -11.689 1.941 1.00 0.84 H new ATOM 0 HA LYS A 112 4.941 -10.034 1.351 1.00 0.99 H new ATOM 0 HB2 LYS A 112 3.291 -11.705 1.157 1.00 1.60 H new ATOM 0 HB3 LYS A 112 4.514 -12.016 -0.059 1.00 1.60 H new ATOM 0 HG2 LYS A 112 5.400 -13.897 1.403 1.00 1.47 H new ATOM 0 HG3 LYS A 112 4.046 -13.632 2.484 1.00 1.47 H new ATOM 0 HD2 LYS A 112 2.525 -13.705 0.392 1.00 1.95 H new ATOM 0 HD3 LYS A 112 3.923 -14.260 -0.507 1.00 1.95 H new ATOM 0 HE2 LYS A 112 3.953 -16.362 0.584 1.00 1.57 H new ATOM 0 HE3 LYS A 112 2.995 -15.789 1.935 1.00 1.57 H new ATOM 0 HZ1 LYS A 112 1.407 -16.846 0.699 1.00 2.16 H new ATOM 0 HZ2 LYS A 112 1.265 -15.284 0.051 1.00 2.16 H new ATOM 0 HZ3 LYS A 112 2.134 -16.476 -0.790 1.00 2.16 H new ATOM 1771 N VAL A 113 4.032 -10.277 3.677 1.00 0.73 N ATOM 1772 CA VAL A 113 3.793 -9.971 5.103 1.00 0.81 C ATOM 1773 C VAL A 113 2.285 -9.922 5.372 1.00 0.71 C ATOM 1774 O VAL A 113 1.513 -9.640 4.461 1.00 0.92 O ATOM 1775 CB VAL A 113 4.420 -8.619 5.549 1.00 1.08 C ATOM 1776 CG1 VAL A 113 4.773 -8.673 7.047 1.00 2.08 C ATOM 1777 CG2 VAL A 113 5.682 -8.179 4.781 1.00 2.17 C ATOM 0 H VAL A 113 3.298 -9.920 3.065 1.00 0.73 H new ATOM 0 HA VAL A 113 4.272 -10.764 5.677 1.00 0.81 H new ATOM 0 HB VAL A 113 3.650 -7.880 5.325 1.00 1.08 H new ATOM 0 HG11 VAL A 113 5.212 -7.723 7.352 1.00 2.08 H new ATOM 0 HG12 VAL A 113 3.869 -8.858 7.627 1.00 2.08 H new ATOM 0 HG13 VAL A 113 5.489 -9.476 7.223 1.00 2.08 H new ATOM 0 HG21 VAL A 113 6.033 -7.225 5.174 1.00 2.17 H new ATOM 0 HG22 VAL A 113 6.462 -8.931 4.902 1.00 2.17 H new ATOM 0 HG23 VAL A 113 5.444 -8.070 3.723 1.00 2.17 H new ATOM 1787 N VAL A 114 1.863 -10.172 6.613 1.00 0.84 N ATOM 1788 CA VAL A 114 0.452 -10.107 7.035 1.00 0.79 C ATOM 1789 C VAL A 114 0.214 -8.809 7.805 1.00 0.75 C ATOM 1790 O VAL A 114 1.005 -8.457 8.677 1.00 1.00 O ATOM 1791 CB VAL A 114 0.037 -11.334 7.883 1.00 1.09 C ATOM 1792 CG1 VAL A 114 -1.445 -11.268 8.297 1.00 1.85 C ATOM 1793 CG2 VAL A 114 0.269 -12.639 7.101 1.00 1.50 C ATOM 0 H VAL A 114 2.498 -10.430 7.369 1.00 0.84 H new ATOM 0 HA VAL A 114 -0.171 -10.122 6.141 1.00 0.79 H new ATOM 0 HB VAL A 114 0.656 -11.320 8.780 1.00 1.09 H new ATOM 0 HG11 VAL A 114 -1.696 -12.147 8.890 1.00 1.85 H new ATOM 0 HG12 VAL A 114 -1.618 -10.369 8.889 1.00 1.85 H new ATOM 0 HG13 VAL A 114 -2.071 -11.241 7.405 1.00 1.85 H new ATOM 0 HG21 VAL A 114 -0.029 -13.489 7.715 1.00 1.50 H new ATOM 0 HG22 VAL A 114 -0.325 -12.626 6.187 1.00 1.50 H new ATOM 0 HG23 VAL A 114 1.325 -12.728 6.847 1.00 1.50 H new ATOM 1803 N LEU A 115 -0.873 -8.111 7.466 1.00 0.71 N ATOM 1804 CA LEU A 115 -1.366 -6.899 8.117 1.00 0.72 C ATOM 1805 C LEU A 115 -2.803 -7.172 8.633 1.00 0.64 C ATOM 1806 O LEU A 115 -3.544 -7.898 7.956 1.00 0.69 O ATOM 1807 CB LEU A 115 -1.416 -5.732 7.103 1.00 0.90 C ATOM 1808 CG LEU A 115 -0.127 -5.276 6.381 1.00 1.26 C ATOM 1809 CD1 LEU A 115 1.088 -5.148 7.311 1.00 3.09 C ATOM 1810 CD2 LEU A 115 0.229 -6.151 5.167 1.00 1.70 C ATOM 0 H LEU A 115 -1.465 -8.395 6.685 1.00 0.71 H new ATOM 0 HA LEU A 115 -0.702 -6.631 8.938 1.00 0.72 H new ATOM 0 HB2 LEU A 115 -2.139 -6.002 6.334 1.00 0.90 H new ATOM 0 HB3 LEU A 115 -1.817 -4.865 7.627 1.00 0.90 H new ATOM 0 HG LEU A 115 -0.369 -4.277 6.018 1.00 1.26 H new ATOM 0 HD11 LEU A 115 1.955 -4.824 6.735 1.00 3.09 H new ATOM 0 HD12 LEU A 115 0.875 -4.415 8.089 1.00 3.09 H new ATOM 0 HD13 LEU A 115 1.298 -6.114 7.770 1.00 3.09 H new ATOM 0 HD21 LEU A 115 1.143 -5.778 4.705 1.00 1.70 H new ATOM 0 HD22 LEU A 115 0.381 -7.180 5.492 1.00 1.70 H new ATOM 0 HD23 LEU A 115 -0.584 -6.116 4.442 1.00 1.70 H new ATOM 1822 N PRO A 116 -3.239 -6.570 9.755 1.00 0.59 N ATOM 1823 CA PRO A 116 -4.649 -6.488 10.131 1.00 0.59 C ATOM 1824 C PRO A 116 -5.455 -5.632 9.136 1.00 0.62 C ATOM 1825 O PRO A 116 -4.883 -4.950 8.281 1.00 0.76 O ATOM 1826 CB PRO A 116 -4.655 -5.910 11.548 1.00 0.64 C ATOM 1827 CG PRO A 116 -3.386 -5.059 11.582 1.00 0.59 C ATOM 1828 CD PRO A 116 -2.419 -5.883 10.741 1.00 0.58 C ATOM 0 HA PRO A 116 -5.135 -7.463 10.106 1.00 0.59 H new ATOM 0 HB2 PRO A 116 -5.547 -5.312 11.735 1.00 0.64 H new ATOM 0 HB3 PRO A 116 -4.634 -6.695 12.304 1.00 0.64 H new ATOM 0 HG2 PRO A 116 -3.550 -4.068 11.159 1.00 0.59 H new ATOM 0 HG3 PRO A 116 -3.020 -4.915 12.599 1.00 0.59 H new ATOM 0 HD2 PRO A 116 -1.679 -5.245 10.258 1.00 0.58 H new ATOM 0 HD3 PRO A 116 -1.872 -6.595 11.359 1.00 0.58 H new ATOM 1836 N VAL A 117 -6.787 -5.679 9.226 1.00 0.65 N ATOM 1837 CA VAL A 117 -7.704 -4.780 8.504 1.00 0.73 C ATOM 1838 C VAL A 117 -8.359 -3.773 9.471 1.00 0.85 C ATOM 1839 O VAL A 117 -9.061 -4.178 10.395 1.00 0.94 O ATOM 1840 CB VAL A 117 -8.816 -5.573 7.784 1.00 0.75 C ATOM 1841 CG1 VAL A 117 -9.635 -4.612 6.905 1.00 0.93 C ATOM 1842 CG2 VAL A 117 -8.324 -6.741 6.912 1.00 0.65 C ATOM 0 H VAL A 117 -7.273 -6.356 9.814 1.00 0.65 H new ATOM 0 HA VAL A 117 -7.110 -4.244 7.764 1.00 0.73 H new ATOM 0 HB VAL A 117 -9.415 -6.020 8.577 1.00 0.75 H new ATOM 0 HG11 VAL A 117 -10.422 -5.167 6.394 1.00 0.93 H new ATOM 0 HG12 VAL A 117 -10.083 -3.840 7.530 1.00 0.93 H new ATOM 0 HG13 VAL A 117 -8.981 -4.147 6.167 1.00 0.93 H new ATOM 0 HG21 VAL A 117 -9.179 -7.235 6.449 1.00 0.65 H new ATOM 0 HG22 VAL A 117 -7.660 -6.361 6.135 1.00 0.65 H new ATOM 0 HG23 VAL A 117 -7.784 -7.456 7.533 1.00 0.65 H new ATOM 1852 N GLU A 118 -8.205 -2.464 9.218 1.00 0.98 N ATOM 1853 CA GLU A 118 -8.673 -1.374 10.096 1.00 1.06 C ATOM 1854 C GLU A 118 -9.693 -0.437 9.430 1.00 1.07 C ATOM 1855 O GLU A 118 -9.679 -0.200 8.218 1.00 1.32 O ATOM 1856 CB GLU A 118 -7.476 -0.542 10.602 1.00 1.40 C ATOM 1857 CG GLU A 118 -6.932 -1.023 11.952 1.00 1.93 C ATOM 1858 CD GLU A 118 -6.545 -2.498 11.942 1.00 3.27 C ATOM 1859 OE1 GLU A 118 -5.755 -2.851 11.046 1.00 4.65 O ATOM 1860 OE2 GLU A 118 -7.099 -3.255 12.770 1.00 4.17 O ATOM 0 H GLU A 118 -7.740 -2.123 8.377 1.00 0.98 H new ATOM 0 HA GLU A 118 -9.182 -1.861 10.927 1.00 1.06 H new ATOM 0 HB2 GLU A 118 -6.677 -0.580 9.862 1.00 1.40 H new ATOM 0 HB3 GLU A 118 -7.779 0.501 10.691 1.00 1.40 H new ATOM 0 HG2 GLU A 118 -6.061 -0.425 12.221 1.00 1.93 H new ATOM 0 HG3 GLU A 118 -7.684 -0.855 12.722 1.00 1.93 H new ATOM 1867 N ALA A 119 -10.552 0.168 10.260 1.00 1.11 N ATOM 1868 CA ALA A 119 -11.675 1.021 9.854 1.00 1.26 C ATOM 1869 C ALA A 119 -11.264 2.449 9.444 1.00 1.64 C ATOM 1870 O ALA A 119 -10.243 2.966 9.902 1.00 2.35 O ATOM 1871 CB ALA A 119 -12.707 1.040 10.989 1.00 1.62 C ATOM 0 H ALA A 119 -10.480 0.073 11.273 1.00 1.11 H new ATOM 0 HA ALA A 119 -12.107 0.591 8.951 1.00 1.26 H new ATOM 0 HB1 ALA A 119 -13.550 1.670 10.704 1.00 1.62 H new ATOM 0 HB2 ALA A 119 -13.060 0.026 11.177 1.00 1.62 H new ATOM 0 HB3 ALA A 119 -12.246 1.438 11.893 1.00 1.62 H new ATOM 1877 N ARG A 120 -12.084 3.043 8.560 1.00 2.08 N ATOM 1878 CA ARG A 120 -11.861 4.259 7.749 1.00 2.63 C ATOM 1879 C ARG A 120 -11.442 5.517 8.513 1.00 2.92 C ATOM 1880 O ARG A 120 -12.135 5.893 9.478 1.00 4.15 O ATOM 1881 CB ARG A 120 -13.126 4.495 6.894 1.00 4.50 C ATOM 1882 CG ARG A 120 -13.147 5.831 6.128 1.00 5.74 C ATOM 1883 CD ARG A 120 -13.768 6.985 6.944 1.00 6.61 C ATOM 1884 NE ARG A 120 -13.017 8.246 6.787 1.00 7.03 N ATOM 1885 CZ ARG A 120 -12.400 8.929 7.737 1.00 7.05 C ATOM 1886 NH1 ARG A 120 -12.305 8.547 8.972 1.00 6.67 N ATOM 1887 NH2 ARG A 120 -11.858 10.078 7.446 1.00 8.07 N ATOM 1888 OXT ARG A 120 -10.494 6.168 8.022 1.00 3.32 O ATOM 0 H ARG A 120 -13.007 2.649 8.376 1.00 2.08 H new ATOM 0 HA ARG A 120 -10.986 4.067 7.128 1.00 2.63 H new ATOM 0 HB2 ARG A 120 -13.220 3.680 6.177 1.00 4.50 H new ATOM 0 HB3 ARG A 120 -14.000 4.451 7.544 1.00 4.50 H new ATOM 0 HG2 ARG A 120 -12.128 6.099 5.848 1.00 5.74 H new ATOM 0 HG3 ARG A 120 -13.709 5.704 5.203 1.00 5.74 H new ATOM 0 HD2 ARG A 120 -14.800 7.137 6.628 1.00 6.61 H new ATOM 0 HD3 ARG A 120 -13.795 6.709 7.998 1.00 6.61 H new ATOM 0 HE ARG A 120 -12.969 8.632 5.844 1.00 7.03 H new ATOM 0 HH11 ARG A 120 -12.723 7.664 9.266 1.00 6.67 H new ATOM 0 HH12 ARG A 120 -11.812 9.129 9.649 1.00 6.67 H new ATOM 0 HH21 ARG A 120 -11.912 10.441 6.494 1.00 8.07 H new ATOM 0 HH22 ARG A 120 -11.379 10.614 8.170 1.00 8.07 H new TER 1902 ARG A 120 HETATM 1903 CU CU1 A 121 -6.010 4.862 -4.158 1.00 0.44 CU