USER MOD reduce.3.24.130724 H: found=0, std=0, add=813, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 814 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 61 THR OG1 : rot 180:sc= 0.0618 USER MOD Set 1.2: A 62 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 57 ASN : amide:sc= -0.31 K(o=-0.22,f=-1.4) USER MOD Set 2.2: A 90 THR OG1 : rot -67:sc= 0.0889 USER MOD Single : A 6 THR OG1 : rot 95:sc= 1.2 USER MOD Single : A 8 GLN : amide:sc= 1.11 K(o=1.1,f=-0.66) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -139:sc= 1.15 (180deg=0.105) USER MOD Single : A 11 HIS : no HE2:sc= 1.1 K(o=1.1,f=-3.8!) USER MOD Single : A 13 THR OG1 : rot -140:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.0266 X(o=-0.027,f=-0.021) USER MOD Single : A 15 THR OG1 : rot -118:sc= 0.698 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 25 SER OG : rot -112:sc= 0.907 USER MOD Single : A 26 THR OG1 : rot -88:sc= 1.22 USER MOD Single : A 27 ASN : amide:sc= -0.0707 X(o=-0.071,f=-0.52) USER MOD Single : A 30 HIS : no HD1:sc= -0.599 K(o=-0.6,f=-1.2) USER MOD Single : A 32 LYS NZ :NH3+ -147:sc= 1.23 (180deg=0.357) USER MOD Single : A 34 LYS NZ :NH3+ -169:sc=-0.00331 (180deg=-0.0994) USER MOD Single : A 35 ASN : amide:sc= 1.36 K(o=1.4,f=-0.0065) USER MOD Single : A 36 THR OG1 : rot -106:sc= 1.32 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= -0.0298 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 113:sc= 1.24 USER MOD Single : A 56 LYS NZ :NH3+ -122:sc= -0.421 (180deg=-2.02!) USER MOD Single : A 60 THR OG1 : rot 106:sc= -0.357 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -121:sc= 1.24 USER MOD Single : A 70 ASN :FLIP amide:sc= 0 F(o=-1.4,f=0) USER MOD Single : A 72 THR OG1 : rot -67:sc= 1.11 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -115:sc= 0.569 (180deg=-0.342) USER MOD Single : A 78 TYR OH : rot 138:sc= -2.71! USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ -175:sc= 0.479 (180deg=0.466) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot -151:sc= 0.453 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.95 K(o=-0.95,f=-8.7!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN :FLIP amide:sc= -0.0493 F(o=-2!,f=-0.049) USER MOD Single : A 94 GLN : amide:sc= -1.93! C(o=-1.9!,f=-2.7!) USER MOD Single : A 98 HIS :FLIP no HD1:sc= -1.14 F(o=-2.1!,f=-1.1) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 37 N ASP A 3 -5.674 10.918 0.180 1.00 0.48 N ATOM 38 CA ASP A 3 -6.867 10.454 -0.514 1.00 0.44 C ATOM 39 C ASP A 3 -6.546 9.221 -1.348 1.00 0.32 C ATOM 40 O ASP A 3 -5.434 8.706 -1.281 1.00 0.32 O ATOM 41 CB ASP A 3 -7.417 11.564 -1.416 1.00 0.55 C ATOM 42 CG ASP A 3 -6.615 11.732 -2.694 1.00 1.30 C ATOM 43 OD1 ASP A 3 -5.422 12.097 -2.617 1.00 1.67 O ATOM 44 OD2 ASP A 3 -7.179 11.493 -3.781 1.00 1.97 O ATOM 0 HA ASP A 3 -7.622 10.192 0.228 1.00 0.44 H new ATOM 0 HB2 ASP A 3 -8.453 11.341 -1.669 1.00 0.55 H new ATOM 0 HB3 ASP A 3 -7.419 12.505 -0.867 1.00 0.55 H new ATOM 49 N TRP A 4 -7.513 8.774 -2.145 1.00 0.32 N ATOM 50 CA TRP A 4 -7.367 7.569 -2.957 1.00 0.27 C ATOM 51 C TRP A 4 -6.193 7.683 -3.935 1.00 0.24 C ATOM 52 O TRP A 4 -5.439 6.729 -4.124 1.00 0.25 O ATOM 53 CB TRP A 4 -8.675 7.291 -3.714 1.00 0.29 C ATOM 54 CG TRP A 4 -8.571 6.196 -4.732 1.00 0.28 C ATOM 55 CD1 TRP A 4 -8.847 6.292 -6.064 1.00 0.33 C ATOM 56 CD2 TRP A 4 -8.155 4.844 -4.507 1.00 0.23 C ATOM 57 NE1 TRP A 4 -8.630 5.083 -6.679 1.00 0.32 N ATOM 58 CE2 TRP A 4 -8.203 4.180 -5.742 1.00 0.25 C ATOM 59 CE3 TRP A 4 -7.747 4.133 -3.379 1.00 0.20 C ATOM 60 CZ2 TRP A 4 -7.855 2.842 -5.882 1.00 0.24 C ATOM 61 CZ3 TRP A 4 -7.406 2.802 -3.517 1.00 0.20 C ATOM 62 CH2 TRP A 4 -7.459 2.169 -4.759 1.00 0.22 C ATOM 0 H TRP A 4 -8.417 9.235 -2.246 1.00 0.32 H new ATOM 0 HA TRP A 4 -7.152 6.735 -2.289 1.00 0.27 H new ATOM 0 HB2 TRP A 4 -9.451 7.031 -2.994 1.00 0.29 H new ATOM 0 HB3 TRP A 4 -8.996 8.206 -4.212 1.00 0.29 H new ATOM 0 HD1 TRP A 4 -9.187 7.188 -6.563 1.00 0.33 H new ATOM 0 HE1 TRP A 4 -8.765 4.889 -7.671 1.00 0.32 H new ATOM 0 HE3 TRP A 4 -7.699 4.615 -2.414 1.00 0.20 H new ATOM 0 HZ2 TRP A 4 -7.896 2.351 -6.843 1.00 0.24 H new ATOM 0 HZ3 TRP A 4 -7.093 2.242 -2.649 1.00 0.20 H new ATOM 0 HH2 TRP A 4 -7.182 1.128 -4.835 1.00 0.22 H new ATOM 73 N LEU A 5 -6.032 8.854 -4.541 1.00 0.28 N ATOM 74 CA LEU A 5 -4.957 9.074 -5.503 1.00 0.32 C ATOM 75 C LEU A 5 -3.603 9.066 -4.803 1.00 0.32 C ATOM 76 O LEU A 5 -2.622 8.529 -5.322 1.00 0.35 O ATOM 77 CB LEU A 5 -5.163 10.395 -6.249 1.00 0.42 C ATOM 78 CG LEU A 5 -6.268 10.394 -7.315 1.00 0.54 C ATOM 79 CD1 LEU A 5 -5.957 9.385 -8.408 1.00 0.75 C ATOM 80 CD2 LEU A 5 -7.635 10.110 -6.704 1.00 0.84 C ATOM 0 H LEU A 5 -6.631 9.665 -4.384 1.00 0.28 H new ATOM 0 HA LEU A 5 -4.977 8.261 -6.229 1.00 0.32 H new ATOM 0 HB2 LEU A 5 -5.389 11.172 -5.519 1.00 0.42 H new ATOM 0 HB3 LEU A 5 -4.223 10.671 -6.727 1.00 0.42 H new ATOM 0 HG LEU A 5 -6.300 11.390 -7.756 1.00 0.54 H new ATOM 0 HD11 LEU A 5 -6.752 9.400 -9.154 1.00 0.75 H new ATOM 0 HD12 LEU A 5 -5.010 9.643 -8.882 1.00 0.75 H new ATOM 0 HD13 LEU A 5 -5.886 8.388 -7.973 1.00 0.75 H new ATOM 0 HD21 LEU A 5 -8.392 10.117 -7.488 1.00 0.84 H new ATOM 0 HD22 LEU A 5 -7.622 9.133 -6.221 1.00 0.84 H new ATOM 0 HD23 LEU A 5 -7.870 10.877 -5.966 1.00 0.84 H new ATOM 92 N THR A 6 -3.562 9.645 -3.613 1.00 0.34 N ATOM 93 CA THR A 6 -2.356 9.639 -2.801 1.00 0.40 C ATOM 94 C THR A 6 -2.069 8.222 -2.300 1.00 0.35 C ATOM 95 O THR A 6 -0.915 7.788 -2.226 1.00 0.37 O ATOM 96 CB THR A 6 -2.504 10.603 -1.607 1.00 0.52 C ATOM 97 OG1 THR A 6 -2.893 11.901 -2.081 1.00 0.59 O ATOM 98 CG2 THR A 6 -1.203 10.718 -0.826 1.00 0.61 C ATOM 0 H THR A 6 -4.354 10.127 -3.187 1.00 0.34 H new ATOM 0 HA THR A 6 -1.521 9.975 -3.416 1.00 0.40 H new ATOM 0 HB THR A 6 -3.269 10.204 -0.941 1.00 0.52 H new ATOM 0 HG1 THR A 6 -3.868 11.986 -2.038 1.00 0.59 H new ATOM 0 HG21 THR A 6 -1.340 11.405 0.009 1.00 0.61 H new ATOM 0 HG22 THR A 6 -0.919 9.737 -0.446 1.00 0.61 H new ATOM 0 HG23 THR A 6 -0.418 11.095 -1.481 1.00 0.61 H new ATOM 106 N PHE A 7 -3.142 7.505 -1.985 1.00 0.29 N ATOM 107 CA PHE A 7 -3.065 6.122 -1.541 1.00 0.26 C ATOM 108 C PHE A 7 -2.437 5.252 -2.624 1.00 0.23 C ATOM 109 O PHE A 7 -1.575 4.417 -2.342 1.00 0.24 O ATOM 110 CB PHE A 7 -4.473 5.617 -1.209 1.00 0.24 C ATOM 111 CG PHE A 7 -4.517 4.246 -0.598 1.00 0.24 C ATOM 112 CD1 PHE A 7 -4.409 3.122 -1.397 1.00 0.22 C ATOM 113 CD2 PHE A 7 -4.659 4.083 0.772 1.00 0.28 C ATOM 114 CE1 PHE A 7 -4.444 1.856 -0.842 1.00 0.23 C ATOM 115 CE2 PHE A 7 -4.695 2.822 1.332 1.00 0.29 C ATOM 116 CZ PHE A 7 -4.610 1.714 0.541 1.00 0.27 C ATOM 0 H PHE A 7 -4.093 7.870 -2.031 1.00 0.29 H new ATOM 0 HA PHE A 7 -2.440 6.066 -0.650 1.00 0.26 H new ATOM 0 HB2 PHE A 7 -4.945 6.321 -0.524 1.00 0.24 H new ATOM 0 HB3 PHE A 7 -5.068 5.613 -2.122 1.00 0.24 H new ATOM 0 HD1 PHE A 7 -4.296 3.234 -2.465 1.00 0.22 H new ATOM 0 HD2 PHE A 7 -4.742 4.952 1.408 1.00 0.28 H new ATOM 0 HE1 PHE A 7 -4.344 0.983 -1.470 1.00 0.23 H new ATOM 0 HE2 PHE A 7 -4.791 2.712 2.402 1.00 0.29 H new ATOM 0 HZ PHE A 7 -4.671 0.729 0.981 1.00 0.27 H new ATOM 126 N GLN A 8 -2.879 5.466 -3.860 1.00 0.23 N ATOM 127 CA GLN A 8 -2.385 4.728 -5.008 1.00 0.24 C ATOM 128 C GLN A 8 -0.870 4.754 -5.099 1.00 0.24 C ATOM 129 O GLN A 8 -0.221 3.715 -5.057 1.00 0.25 O ATOM 130 CB GLN A 8 -2.943 5.329 -6.280 1.00 0.27 C ATOM 131 CG GLN A 8 -4.357 4.899 -6.613 1.00 0.27 C ATOM 132 CD GLN A 8 -4.860 5.548 -7.890 1.00 0.32 C ATOM 133 OE1 GLN A 8 -4.088 5.825 -8.808 1.00 0.61 O ATOM 134 NE2 GLN A 8 -6.155 5.808 -7.958 1.00 0.45 N ATOM 0 H GLN A 8 -3.592 6.159 -4.089 1.00 0.23 H new ATOM 0 HA GLN A 8 -2.709 3.694 -4.885 1.00 0.24 H new ATOM 0 HB2 GLN A 8 -2.918 6.415 -6.194 1.00 0.27 H new ATOM 0 HB3 GLN A 8 -2.290 5.060 -7.110 1.00 0.27 H new ATOM 0 HG2 GLN A 8 -4.391 3.815 -6.719 1.00 0.27 H new ATOM 0 HG3 GLN A 8 -5.020 5.160 -5.788 1.00 0.27 H new ATOM 0 HE21 GLN A 8 -6.766 5.565 -7.178 1.00 0.45 H new ATOM 0 HE22 GLN A 8 -6.543 6.252 -8.790 1.00 0.45 H new ATOM 143 N LYS A 9 -0.318 5.950 -5.227 1.00 0.26 N ATOM 144 CA LYS A 9 1.117 6.124 -5.408 1.00 0.29 C ATOM 145 C LYS A 9 1.910 5.463 -4.285 1.00 0.29 C ATOM 146 O LYS A 9 3.045 5.033 -4.479 1.00 0.33 O ATOM 147 CB LYS A 9 1.439 7.611 -5.464 1.00 0.32 C ATOM 148 CG LYS A 9 0.827 8.308 -6.661 1.00 0.33 C ATOM 149 CD LYS A 9 0.906 9.814 -6.527 1.00 0.67 C ATOM 150 CE LYS A 9 2.346 10.291 -6.461 1.00 1.20 C ATOM 151 NZ LYS A 9 2.436 11.768 -6.346 1.00 1.88 N ATOM 0 H LYS A 9 -0.846 6.822 -5.209 1.00 0.26 H new ATOM 0 HA LYS A 9 1.405 5.643 -6.343 1.00 0.29 H new ATOM 0 HB2 LYS A 9 1.082 8.088 -4.552 1.00 0.32 H new ATOM 0 HB3 LYS A 9 2.521 7.741 -5.489 1.00 0.32 H new ATOM 0 HG2 LYS A 9 1.343 7.995 -7.569 1.00 0.33 H new ATOM 0 HG3 LYS A 9 -0.215 8.005 -6.766 1.00 0.33 H new ATOM 0 HD2 LYS A 9 0.405 10.283 -7.374 1.00 0.67 H new ATOM 0 HD3 LYS A 9 0.376 10.129 -5.628 1.00 0.67 H new ATOM 0 HE2 LYS A 9 2.842 9.830 -5.607 1.00 1.20 H new ATOM 0 HE3 LYS A 9 2.878 9.963 -7.354 1.00 1.20 H new ATOM 0 HZ1 LYS A 9 3.435 12.053 -6.304 1.00 1.88 H new ATOM 0 HZ2 LYS A 9 1.985 12.209 -7.173 1.00 1.88 H new ATOM 0 HZ3 LYS A 9 1.951 12.079 -5.480 1.00 1.88 H new ATOM 165 N LYS A 10 1.295 5.382 -3.117 1.00 0.28 N ATOM 166 CA LYS A 10 1.973 4.881 -1.930 1.00 0.30 C ATOM 167 C LYS A 10 1.811 3.377 -1.737 1.00 0.26 C ATOM 168 O LYS A 10 2.616 2.753 -1.042 1.00 0.29 O ATOM 169 CB LYS A 10 1.475 5.622 -0.686 1.00 0.38 C ATOM 170 CG LYS A 10 1.958 7.062 -0.595 1.00 0.63 C ATOM 171 CD LYS A 10 1.247 7.814 0.519 1.00 0.73 C ATOM 172 CE LYS A 10 1.834 9.201 0.734 1.00 1.10 C ATOM 173 NZ LYS A 10 3.178 9.150 1.371 1.00 1.34 N ATOM 0 H LYS A 10 0.325 5.657 -2.964 1.00 0.28 H new ATOM 0 HA LYS A 10 3.037 5.069 -2.077 1.00 0.30 H new ATOM 0 HB2 LYS A 10 0.385 5.613 -0.681 1.00 0.38 H new ATOM 0 HB3 LYS A 10 1.802 5.082 0.203 1.00 0.38 H new ATOM 0 HG2 LYS A 10 3.033 7.077 -0.418 1.00 0.63 H new ATOM 0 HG3 LYS A 10 1.785 7.567 -1.545 1.00 0.63 H new ATOM 0 HD2 LYS A 10 0.187 7.902 0.279 1.00 0.73 H new ATOM 0 HD3 LYS A 10 1.317 7.243 1.445 1.00 0.73 H new ATOM 0 HE2 LYS A 10 1.907 9.715 -0.224 1.00 1.10 H new ATOM 0 HE3 LYS A 10 1.160 9.786 1.359 1.00 1.10 H new ATOM 0 HZ1 LYS A 10 3.253 9.903 2.084 1.00 1.34 H new ATOM 0 HZ2 LYS A 10 3.311 8.225 1.828 1.00 1.34 H new ATOM 0 HZ3 LYS A 10 3.911 9.286 0.646 1.00 1.34 H new ATOM 187 N HIS A 11 0.776 2.781 -2.320 1.00 0.25 N ATOM 188 CA HIS A 11 0.480 1.379 -2.020 1.00 0.24 C ATOM 189 C HIS A 11 0.105 0.552 -3.245 1.00 0.23 C ATOM 190 O HIS A 11 0.017 -0.663 -3.149 1.00 0.26 O ATOM 191 CB HIS A 11 -0.639 1.271 -0.978 1.00 0.26 C ATOM 192 CG HIS A 11 -0.275 1.831 0.363 1.00 0.28 C ATOM 193 ND1 HIS A 11 0.655 1.248 1.200 1.00 0.29 N ATOM 194 CD2 HIS A 11 -0.714 2.937 1.009 1.00 0.35 C ATOM 195 CE1 HIS A 11 0.772 1.967 2.299 1.00 0.34 C ATOM 196 NE2 HIS A 11 -0.047 2.999 2.209 1.00 0.37 N ATOM 0 H HIS A 11 0.143 3.228 -2.984 1.00 0.25 H new ATOM 0 HA HIS A 11 1.408 0.965 -1.626 1.00 0.24 H new ATOM 0 HB2 HIS A 11 -1.521 1.791 -1.351 1.00 0.26 H new ATOM 0 HB3 HIS A 11 -0.913 0.223 -0.861 1.00 0.26 H new ATOM 0 HD1 HIS A 11 1.172 0.392 0.999 1.00 0.29 H new ATOM 0 HD2 HIS A 11 -1.451 3.639 0.649 1.00 0.35 H new ATOM 0 HE1 HIS A 11 1.426 1.749 3.131 1.00 0.34 H new ATOM 205 N ILE A 12 -0.110 1.176 -4.384 1.00 0.23 N ATOM 206 CA ILE A 12 -0.500 0.428 -5.571 1.00 0.24 C ATOM 207 C ILE A 12 0.701 0.219 -6.484 1.00 0.23 C ATOM 208 O ILE A 12 1.200 1.164 -7.097 1.00 0.30 O ATOM 209 CB ILE A 12 -1.638 1.134 -6.350 1.00 0.28 C ATOM 210 CG1 ILE A 12 -2.867 1.326 -5.456 1.00 0.36 C ATOM 211 CG2 ILE A 12 -2.015 0.341 -7.592 1.00 0.28 C ATOM 212 CD1 ILE A 12 -3.446 0.036 -4.917 1.00 0.48 C ATOM 0 H ILE A 12 -0.024 2.184 -4.518 1.00 0.23 H new ATOM 0 HA ILE A 12 -0.874 -0.540 -5.237 1.00 0.24 H new ATOM 0 HB ILE A 12 -1.275 2.114 -6.660 1.00 0.28 H new ATOM 0 HG12 ILE A 12 -2.597 1.969 -4.618 1.00 0.36 H new ATOM 0 HG13 ILE A 12 -3.637 1.849 -6.023 1.00 0.36 H new ATOM 0 HG21 ILE A 12 -2.816 0.856 -8.123 1.00 0.28 H new ATOM 0 HG22 ILE A 12 -1.146 0.251 -8.244 1.00 0.28 H new ATOM 0 HG23 ILE A 12 -2.354 -0.653 -7.300 1.00 0.28 H new ATOM 0 HD11 ILE A 12 -4.312 0.258 -4.294 1.00 0.48 H new ATOM 0 HD12 ILE A 12 -3.750 -0.601 -5.747 1.00 0.48 H new ATOM 0 HD13 ILE A 12 -2.693 -0.480 -4.321 1.00 0.48 H new ATOM 224 N THR A 13 1.178 -1.016 -6.550 1.00 0.20 N ATOM 225 CA THR A 13 2.288 -1.355 -7.421 1.00 0.21 C ATOM 226 C THR A 13 1.885 -2.481 -8.368 1.00 0.22 C ATOM 227 O THR A 13 1.014 -3.294 -8.053 1.00 0.24 O ATOM 228 CB THR A 13 3.556 -1.758 -6.626 1.00 0.21 C ATOM 229 OG1 THR A 13 4.669 -1.897 -7.520 1.00 0.30 O ATOM 230 CG2 THR A 13 3.360 -3.063 -5.868 1.00 0.21 C ATOM 0 H THR A 13 0.811 -1.799 -6.009 1.00 0.20 H new ATOM 0 HA THR A 13 2.534 -0.462 -7.996 1.00 0.21 H new ATOM 0 HB THR A 13 3.750 -0.968 -5.900 1.00 0.21 H new ATOM 0 HG1 THR A 13 5.207 -2.672 -7.255 1.00 0.30 H new ATOM 0 HG21 THR A 13 4.272 -3.309 -5.325 1.00 0.21 H new ATOM 0 HG22 THR A 13 2.536 -2.954 -5.163 1.00 0.21 H new ATOM 0 HG23 THR A 13 3.131 -3.862 -6.573 1.00 0.21 H new ATOM 238 N ASN A 14 2.523 -2.525 -9.529 1.00 0.28 N ATOM 239 CA ASN A 14 2.183 -3.505 -10.552 1.00 0.33 C ATOM 240 C ASN A 14 3.287 -4.549 -10.684 1.00 0.32 C ATOM 241 O ASN A 14 3.322 -5.319 -11.645 1.00 0.36 O ATOM 242 CB ASN A 14 1.951 -2.807 -11.900 1.00 0.46 C ATOM 243 CG ASN A 14 3.206 -2.152 -12.447 1.00 1.36 C ATOM 244 OD1 ASN A 14 3.515 -1.004 -12.124 1.00 2.20 O ATOM 245 ND2 ASN A 14 3.920 -2.864 -13.302 1.00 2.08 N ATOM 0 H ASN A 14 3.280 -1.892 -9.787 1.00 0.28 H new ATOM 0 HA ASN A 14 1.264 -4.010 -10.253 1.00 0.33 H new ATOM 0 HB2 ASN A 14 1.582 -3.535 -12.622 1.00 0.46 H new ATOM 0 HB3 ASN A 14 1.174 -2.052 -11.784 1.00 0.46 H new ATOM 0 HD21 ASN A 14 4.761 -2.466 -13.720 1.00 2.08 H new ATOM 0 HD22 ASN A 14 3.630 -3.812 -13.543 1.00 2.08 H new ATOM 252 N THR A 15 4.174 -4.582 -9.700 1.00 0.33 N ATOM 253 CA THR A 15 5.284 -5.521 -9.697 1.00 0.36 C ATOM 254 C THR A 15 5.506 -6.083 -8.295 1.00 0.33 C ATOM 255 O THR A 15 5.388 -5.362 -7.303 1.00 0.36 O ATOM 256 CB THR A 15 6.583 -4.852 -10.214 1.00 0.42 C ATOM 257 OG1 THR A 15 7.713 -5.726 -10.056 1.00 0.48 O ATOM 258 CG2 THR A 15 6.845 -3.543 -9.488 1.00 0.43 C ATOM 0 H THR A 15 4.145 -3.964 -8.889 1.00 0.33 H new ATOM 0 HA THR A 15 5.030 -6.340 -10.370 1.00 0.36 H new ATOM 0 HB THR A 15 6.444 -4.647 -11.275 1.00 0.42 H new ATOM 0 HG1 THR A 15 8.366 -5.311 -9.454 1.00 0.48 H new ATOM 0 HG21 THR A 15 7.762 -3.093 -9.869 1.00 0.43 H new ATOM 0 HG22 THR A 15 6.010 -2.862 -9.654 1.00 0.43 H new ATOM 0 HG23 THR A 15 6.951 -3.734 -8.420 1.00 0.43 H new ATOM 266 N ARG A 16 5.791 -7.383 -8.214 1.00 0.32 N ATOM 267 CA ARG A 16 6.088 -8.020 -6.934 1.00 0.31 C ATOM 268 C ARG A 16 7.358 -7.434 -6.338 1.00 0.33 C ATOM 269 O ARG A 16 7.458 -7.230 -5.128 1.00 0.45 O ATOM 270 CB ARG A 16 6.234 -9.537 -7.091 1.00 0.36 C ATOM 271 CG ARG A 16 4.940 -10.236 -7.447 1.00 0.45 C ATOM 272 CD ARG A 16 3.910 -10.064 -6.344 1.00 0.38 C ATOM 273 NE ARG A 16 4.212 -10.863 -5.157 1.00 0.32 N ATOM 274 CZ ARG A 16 4.235 -10.375 -3.916 1.00 0.40 C ATOM 275 NH1 ARG A 16 4.118 -9.069 -3.704 1.00 0.49 N ATOM 276 NH2 ARG A 16 4.397 -11.192 -2.885 1.00 0.51 N ATOM 0 H ARG A 16 5.822 -8.012 -9.017 1.00 0.32 H new ATOM 0 HA ARG A 16 5.253 -7.827 -6.260 1.00 0.31 H new ATOM 0 HB2 ARG A 16 6.974 -9.744 -7.864 1.00 0.36 H new ATOM 0 HB3 ARG A 16 6.619 -9.955 -6.161 1.00 0.36 H new ATOM 0 HG2 ARG A 16 4.549 -9.833 -8.381 1.00 0.45 H new ATOM 0 HG3 ARG A 16 5.128 -11.297 -7.612 1.00 0.45 H new ATOM 0 HD2 ARG A 16 3.856 -9.012 -6.064 1.00 0.38 H new ATOM 0 HD3 ARG A 16 2.927 -10.343 -6.724 1.00 0.38 H new ATOM 0 HE ARG A 16 4.418 -11.854 -5.286 1.00 0.32 H new ATOM 0 HH11 ARG A 16 4.010 -8.432 -4.493 1.00 0.49 H new ATOM 0 HH12 ARG A 16 4.136 -8.703 -2.752 1.00 0.49 H new ATOM 0 HH21 ARG A 16 4.504 -12.194 -3.041 1.00 0.51 H new ATOM 0 HH22 ARG A 16 4.415 -10.818 -1.936 1.00 0.51 H new ATOM 290 N ASP A 17 8.325 -7.163 -7.198 1.00 0.37 N ATOM 291 CA ASP A 17 9.549 -6.501 -6.779 1.00 0.42 C ATOM 292 C ASP A 17 9.458 -5.017 -7.099 1.00 0.36 C ATOM 293 O ASP A 17 9.693 -4.596 -8.237 1.00 0.46 O ATOM 294 CB ASP A 17 10.767 -7.121 -7.473 1.00 0.60 C ATOM 295 CG ASP A 17 12.083 -6.524 -7.002 1.00 1.16 C ATOM 296 OD1 ASP A 17 12.517 -5.498 -7.567 1.00 1.40 O ATOM 297 OD2 ASP A 17 12.702 -7.095 -6.078 1.00 1.94 O ATOM 0 H ASP A 17 8.286 -7.391 -8.191 1.00 0.37 H new ATOM 0 HA ASP A 17 9.670 -6.632 -5.704 1.00 0.42 H new ATOM 0 HB2 ASP A 17 10.775 -8.196 -7.290 1.00 0.60 H new ATOM 0 HB3 ASP A 17 10.675 -6.982 -8.550 1.00 0.60 H new ATOM 302 N VAL A 18 9.046 -4.234 -6.114 1.00 0.31 N ATOM 303 CA VAL A 18 8.991 -2.792 -6.267 1.00 0.29 C ATOM 304 C VAL A 18 10.346 -2.185 -5.922 1.00 0.29 C ATOM 305 O VAL A 18 10.990 -2.597 -4.956 1.00 0.35 O ATOM 306 CB VAL A 18 7.865 -2.147 -5.412 1.00 0.36 C ATOM 307 CG1 VAL A 18 7.850 -2.688 -3.991 1.00 0.53 C ATOM 308 CG2 VAL A 18 8.007 -0.634 -5.392 1.00 0.58 C ATOM 0 H VAL A 18 8.745 -4.575 -5.201 1.00 0.31 H new ATOM 0 HA VAL A 18 8.752 -2.579 -7.309 1.00 0.29 H new ATOM 0 HB VAL A 18 6.916 -2.411 -5.879 1.00 0.36 H new ATOM 0 HG11 VAL A 18 7.048 -2.210 -3.428 1.00 0.53 H new ATOM 0 HG12 VAL A 18 7.686 -3.765 -4.014 1.00 0.53 H new ATOM 0 HG13 VAL A 18 8.806 -2.477 -3.511 1.00 0.53 H new ATOM 0 HG21 VAL A 18 7.209 -0.202 -4.788 1.00 0.58 H new ATOM 0 HG22 VAL A 18 8.973 -0.365 -4.964 1.00 0.58 H new ATOM 0 HG23 VAL A 18 7.941 -0.249 -6.410 1.00 0.58 H new ATOM 318 N ASP A 19 10.790 -1.232 -6.734 1.00 0.34 N ATOM 319 CA ASP A 19 12.074 -0.595 -6.549 1.00 0.41 C ATOM 320 C ASP A 19 12.036 0.379 -5.382 1.00 0.39 C ATOM 321 O ASP A 19 11.930 1.591 -5.572 1.00 0.46 O ATOM 322 CB ASP A 19 12.485 0.129 -7.829 1.00 0.58 C ATOM 323 CG ASP A 19 12.867 -0.821 -8.945 1.00 1.11 C ATOM 324 OD1 ASP A 19 14.045 -1.223 -9.010 1.00 1.28 O ATOM 325 OD2 ASP A 19 11.987 -1.173 -9.763 1.00 1.91 O ATOM 0 H ASP A 19 10.265 -0.885 -7.536 1.00 0.34 H new ATOM 0 HA ASP A 19 12.811 -1.366 -6.322 1.00 0.41 H new ATOM 0 HB2 ASP A 19 11.663 0.762 -8.163 1.00 0.58 H new ATOM 0 HB3 ASP A 19 13.327 0.787 -7.614 1.00 0.58 H new ATOM 330 N CYS A 20 12.090 -0.170 -4.178 1.00 0.38 N ATOM 331 CA CYS A 20 12.009 0.612 -2.955 1.00 0.40 C ATOM 332 C CYS A 20 13.014 1.762 -2.945 1.00 0.38 C ATOM 333 O CYS A 20 12.643 2.910 -2.739 1.00 0.39 O ATOM 334 CB CYS A 20 12.243 -0.283 -1.741 1.00 0.51 C ATOM 335 SG CYS A 20 11.368 -1.879 -1.817 1.00 0.93 S ATOM 0 H CYS A 20 12.191 -1.173 -4.022 1.00 0.38 H new ATOM 0 HA CYS A 20 11.008 1.041 -2.910 1.00 0.40 H new ATOM 0 HB2 CYS A 20 13.312 -0.471 -1.642 1.00 0.51 H new ATOM 0 HB3 CYS A 20 11.928 0.250 -0.844 1.00 0.51 H new ATOM 340 N ASP A 21 14.282 1.448 -3.195 1.00 0.47 N ATOM 341 CA ASP A 21 15.362 2.435 -3.076 1.00 0.59 C ATOM 342 C ASP A 21 15.149 3.634 -3.997 1.00 0.53 C ATOM 343 O ASP A 21 15.652 4.723 -3.729 1.00 0.64 O ATOM 344 CB ASP A 21 16.715 1.797 -3.388 1.00 0.85 C ATOM 345 CG ASP A 21 16.966 0.526 -2.606 1.00 1.36 C ATOM 346 OD1 ASP A 21 17.393 0.609 -1.439 1.00 1.66 O ATOM 347 OD2 ASP A 21 16.744 -0.566 -3.167 1.00 2.26 O ATOM 0 H ASP A 21 14.591 0.519 -3.481 1.00 0.47 H new ATOM 0 HA ASP A 21 15.350 2.789 -2.045 1.00 0.59 H new ATOM 0 HB2 ASP A 21 16.769 1.577 -4.454 1.00 0.85 H new ATOM 0 HB3 ASP A 21 17.507 2.513 -3.170 1.00 0.85 H new ATOM 352 N ASN A 22 14.408 3.434 -5.078 1.00 0.50 N ATOM 353 CA ASN A 22 14.165 4.501 -6.044 1.00 0.49 C ATOM 354 C ASN A 22 12.835 5.179 -5.787 1.00 0.42 C ATOM 355 O ASN A 22 12.742 6.401 -5.731 1.00 0.43 O ATOM 356 CB ASN A 22 14.183 3.947 -7.467 1.00 0.59 C ATOM 357 CG ASN A 22 14.012 5.031 -8.518 1.00 0.69 C ATOM 358 OD1 ASN A 22 12.894 5.345 -8.929 1.00 1.07 O ATOM 359 ND2 ASN A 22 15.118 5.611 -8.956 1.00 1.14 N ATOM 0 H ASN A 22 13.965 2.545 -5.310 1.00 0.50 H new ATOM 0 HA ASN A 22 14.961 5.236 -5.930 1.00 0.49 H new ATOM 0 HB2 ASN A 22 15.125 3.426 -7.638 1.00 0.59 H new ATOM 0 HB3 ASN A 22 13.387 3.211 -7.577 1.00 0.59 H new ATOM 0 HD21 ASN A 22 15.063 6.347 -9.660 1.00 1.14 H new ATOM 0 HD22 ASN A 22 16.025 5.322 -8.590 1.00 1.14 H new ATOM 366 N ILE A 23 11.801 4.379 -5.641 1.00 0.40 N ATOM 367 CA ILE A 23 10.464 4.908 -5.439 1.00 0.38 C ATOM 368 C ILE A 23 10.337 5.594 -4.076 1.00 0.33 C ATOM 369 O ILE A 23 9.679 6.627 -3.956 1.00 0.34 O ATOM 370 CB ILE A 23 9.397 3.799 -5.602 1.00 0.39 C ATOM 371 CG1 ILE A 23 9.419 3.273 -7.043 1.00 0.45 C ATOM 372 CG2 ILE A 23 8.009 4.312 -5.240 1.00 0.40 C ATOM 373 CD1 ILE A 23 8.371 2.218 -7.337 1.00 0.48 C ATOM 0 H ILE A 23 11.857 3.361 -5.658 1.00 0.40 H new ATOM 0 HA ILE A 23 10.287 5.661 -6.207 1.00 0.38 H new ATOM 0 HB ILE A 23 9.635 2.984 -4.918 1.00 0.39 H new ATOM 0 HG12 ILE A 23 9.276 4.111 -7.726 1.00 0.45 H new ATOM 0 HG13 ILE A 23 10.405 2.857 -7.251 1.00 0.45 H new ATOM 0 HG21 ILE A 23 7.281 3.510 -5.364 1.00 0.40 H new ATOM 0 HG22 ILE A 23 8.004 4.649 -4.203 1.00 0.40 H new ATOM 0 HG23 ILE A 23 7.747 5.145 -5.893 1.00 0.40 H new ATOM 0 HD11 ILE A 23 8.456 1.901 -8.376 1.00 0.48 H new ATOM 0 HD12 ILE A 23 8.524 1.360 -6.682 1.00 0.48 H new ATOM 0 HD13 ILE A 23 7.378 2.633 -7.164 1.00 0.48 H new ATOM 385 N LEU A 24 11.010 5.057 -3.062 1.00 0.30 N ATOM 386 CA LEU A 24 10.906 5.609 -1.713 1.00 0.29 C ATOM 387 C LEU A 24 11.774 6.852 -1.547 1.00 0.32 C ATOM 388 O LEU A 24 11.598 7.608 -0.591 1.00 0.33 O ATOM 389 CB LEU A 24 11.296 4.580 -0.642 1.00 0.31 C ATOM 390 CG LEU A 24 10.554 3.240 -0.680 1.00 0.38 C ATOM 391 CD1 LEU A 24 10.939 2.388 0.516 1.00 1.03 C ATOM 392 CD2 LEU A 24 9.054 3.437 -0.708 1.00 1.01 C ATOM 0 H LEU A 24 11.627 4.249 -3.146 1.00 0.30 H new ATOM 0 HA LEU A 24 9.860 5.881 -1.576 1.00 0.29 H new ATOM 0 HB2 LEU A 24 12.364 4.381 -0.732 1.00 0.31 H new ATOM 0 HB3 LEU A 24 11.137 5.030 0.338 1.00 0.31 H new ATOM 0 HG LEU A 24 10.847 2.728 -1.597 1.00 0.38 H new ATOM 0 HD11 LEU A 24 10.404 1.440 0.475 1.00 1.03 H new ATOM 0 HD12 LEU A 24 12.012 2.200 0.498 1.00 1.03 H new ATOM 0 HD13 LEU A 24 10.678 2.912 1.435 1.00 1.03 H new ATOM 0 HD21 LEU A 24 8.560 2.466 -0.735 1.00 1.01 H new ATOM 0 HD22 LEU A 24 8.741 3.979 0.185 1.00 1.01 H new ATOM 0 HD23 LEU A 24 8.779 4.009 -1.594 1.00 1.01 H new ATOM 404 N SER A 25 12.700 7.077 -2.469 1.00 0.36 N ATOM 405 CA SER A 25 13.617 8.204 -2.349 1.00 0.41 C ATOM 406 C SER A 25 13.027 9.466 -2.977 1.00 0.42 C ATOM 407 O SER A 25 13.702 10.485 -3.109 1.00 0.49 O ATOM 408 CB SER A 25 14.972 7.863 -2.974 1.00 0.50 C ATOM 409 OG SER A 25 14.817 7.301 -4.264 1.00 1.28 O ATOM 0 H SER A 25 12.836 6.502 -3.300 1.00 0.36 H new ATOM 0 HA SER A 25 13.770 8.404 -1.288 1.00 0.41 H new ATOM 0 HB2 SER A 25 15.582 8.764 -3.039 1.00 0.50 H new ATOM 0 HB3 SER A 25 15.505 7.162 -2.331 1.00 0.50 H new ATOM 0 HG SER A 25 15.082 6.358 -4.244 1.00 1.28 H new ATOM 415 N THR A 26 11.757 9.392 -3.352 1.00 0.41 N ATOM 416 CA THR A 26 11.042 10.551 -3.863 1.00 0.46 C ATOM 417 C THR A 26 10.419 11.325 -2.706 1.00 0.45 C ATOM 418 O THR A 26 10.460 10.871 -1.562 1.00 0.45 O ATOM 419 CB THR A 26 9.934 10.131 -4.845 1.00 0.49 C ATOM 420 OG1 THR A 26 9.018 9.241 -4.191 1.00 0.44 O ATOM 421 CG2 THR A 26 10.520 9.455 -6.074 1.00 0.56 C ATOM 0 H THR A 26 11.200 8.538 -3.311 1.00 0.41 H new ATOM 0 HA THR A 26 11.756 11.182 -4.392 1.00 0.46 H new ATOM 0 HB THR A 26 9.405 11.028 -5.168 1.00 0.49 H new ATOM 0 HG1 THR A 26 9.337 8.319 -4.281 1.00 0.44 H new ATOM 0 HG21 THR A 26 9.715 9.169 -6.751 1.00 0.56 H new ATOM 0 HG22 THR A 26 11.193 10.145 -6.583 1.00 0.56 H new ATOM 0 HG23 THR A 26 11.073 8.566 -5.771 1.00 0.56 H new ATOM 429 N ASN A 27 9.823 12.474 -2.997 1.00 0.49 N ATOM 430 CA ASN A 27 9.155 13.279 -1.970 1.00 0.52 C ATOM 431 C ASN A 27 7.907 12.559 -1.452 1.00 0.52 C ATOM 432 O ASN A 27 7.302 12.963 -0.460 1.00 0.67 O ATOM 433 CB ASN A 27 8.764 14.646 -2.541 1.00 0.61 C ATOM 434 CG ASN A 27 8.237 15.603 -1.486 1.00 0.87 C ATOM 435 OD1 ASN A 27 8.699 15.614 -0.343 1.00 1.46 O ATOM 436 ND2 ASN A 27 7.245 16.395 -1.854 1.00 1.53 N ATOM 0 H ASN A 27 9.786 12.874 -3.935 1.00 0.49 H new ATOM 0 HA ASN A 27 9.848 13.422 -1.141 1.00 0.52 H new ATOM 0 HB2 ASN A 27 9.632 15.092 -3.027 1.00 0.61 H new ATOM 0 HB3 ASN A 27 8.004 14.508 -3.310 1.00 0.61 H new ATOM 0 HD21 ASN A 27 6.835 17.044 -1.183 1.00 1.53 H new ATOM 0 HD22 ASN A 27 6.890 16.357 -2.809 1.00 1.53 H new ATOM 443 N LEU A 28 7.543 11.475 -2.125 1.00 0.48 N ATOM 444 CA LEU A 28 6.355 10.707 -1.782 1.00 0.47 C ATOM 445 C LEU A 28 6.589 9.865 -0.522 1.00 0.45 C ATOM 446 O LEU A 28 5.636 9.417 0.122 1.00 0.52 O ATOM 447 CB LEU A 28 5.983 9.808 -2.968 1.00 0.47 C ATOM 448 CG LEU A 28 4.645 9.073 -2.865 1.00 0.49 C ATOM 449 CD1 LEU A 28 3.481 10.050 -2.921 1.00 0.51 C ATOM 450 CD2 LEU A 28 4.531 8.046 -3.977 1.00 0.51 C ATOM 0 H LEU A 28 8.062 11.105 -2.921 1.00 0.48 H new ATOM 0 HA LEU A 28 5.535 11.393 -1.571 1.00 0.47 H new ATOM 0 HB2 LEU A 28 5.969 10.419 -3.870 1.00 0.47 H new ATOM 0 HB3 LEU A 28 6.772 9.067 -3.097 1.00 0.47 H new ATOM 0 HG LEU A 28 4.606 8.560 -1.904 1.00 0.49 H new ATOM 0 HD11 LEU A 28 2.542 9.502 -2.846 1.00 0.51 H new ATOM 0 HD12 LEU A 28 3.557 10.755 -2.093 1.00 0.51 H new ATOM 0 HD13 LEU A 28 3.508 10.595 -3.865 1.00 0.51 H new ATOM 0 HD21 LEU A 28 3.576 7.527 -3.897 1.00 0.51 H new ATOM 0 HD22 LEU A 28 4.591 8.547 -4.943 1.00 0.51 H new ATOM 0 HD23 LEU A 28 5.344 7.325 -3.891 1.00 0.51 H new ATOM 462 N PHE A 29 7.860 9.656 -0.173 1.00 0.42 N ATOM 463 CA PHE A 29 8.217 8.841 0.991 1.00 0.40 C ATOM 464 C PHE A 29 9.398 9.456 1.731 1.00 0.42 C ATOM 465 O PHE A 29 9.525 9.309 2.947 1.00 0.48 O ATOM 466 CB PHE A 29 8.588 7.412 0.575 1.00 0.36 C ATOM 467 CG PHE A 29 7.529 6.690 -0.206 1.00 0.36 C ATOM 468 CD1 PHE A 29 6.455 6.094 0.433 1.00 0.41 C ATOM 469 CD2 PHE A 29 7.618 6.599 -1.583 1.00 0.36 C ATOM 470 CE1 PHE A 29 5.489 5.423 -0.292 1.00 0.44 C ATOM 471 CE2 PHE A 29 6.658 5.928 -2.311 1.00 0.39 C ATOM 472 CZ PHE A 29 5.592 5.340 -1.666 1.00 0.42 C ATOM 0 H PHE A 29 8.659 10.039 -0.679 1.00 0.42 H new ATOM 0 HA PHE A 29 7.345 8.809 1.645 1.00 0.40 H new ATOM 0 HB2 PHE A 29 9.499 7.447 -0.022 1.00 0.36 H new ATOM 0 HB3 PHE A 29 8.816 6.835 1.471 1.00 0.36 H new ATOM 0 HD1 PHE A 29 6.372 6.154 1.508 1.00 0.41 H new ATOM 0 HD2 PHE A 29 8.450 7.059 -2.095 1.00 0.36 H new ATOM 0 HE1 PHE A 29 4.654 4.964 0.216 1.00 0.44 H new ATOM 0 HE2 PHE A 29 6.742 5.864 -3.386 1.00 0.39 H new ATOM 0 HZ PHE A 29 4.838 4.815 -2.234 1.00 0.42 H new ATOM 482 N HIS A 30 10.249 10.142 0.968 1.00 0.43 N ATOM 483 CA HIS A 30 11.502 10.733 1.449 1.00 0.52 C ATOM 484 C HIS A 30 12.290 9.762 2.332 1.00 0.45 C ATOM 485 O HIS A 30 12.693 10.082 3.452 1.00 0.48 O ATOM 486 CB HIS A 30 11.286 12.108 2.115 1.00 0.70 C ATOM 487 CG HIS A 30 10.548 12.116 3.421 1.00 1.23 C ATOM 488 ND1 HIS A 30 11.177 12.092 4.644 1.00 1.78 N ATOM 489 CD2 HIS A 30 9.226 12.193 3.682 1.00 2.07 C ATOM 490 CE1 HIS A 30 10.273 12.148 5.602 1.00 2.74 C ATOM 491 NE2 HIS A 30 9.077 12.213 5.046 1.00 2.97 N ATOM 0 H HIS A 30 10.084 10.307 -0.025 1.00 0.43 H new ATOM 0 HA HIS A 30 12.121 10.921 0.572 1.00 0.52 H new ATOM 0 HB2 HIS A 30 12.262 12.566 2.273 1.00 0.70 H new ATOM 0 HB3 HIS A 30 10.745 12.744 1.415 1.00 0.70 H new ATOM 0 HD2 HIS A 30 8.431 12.232 2.952 1.00 2.07 H new ATOM 0 HE1 HIS A 30 10.476 12.142 6.663 1.00 2.74 H new ATOM 0 HE2 HIS A 30 8.190 12.269 5.547 1.00 2.97 H new ATOM 500 N CYS A 31 12.505 8.568 1.790 1.00 0.44 N ATOM 501 CA CYS A 31 13.282 7.520 2.446 1.00 0.45 C ATOM 502 C CYS A 31 12.747 7.207 3.840 1.00 0.40 C ATOM 503 O CYS A 31 13.429 7.422 4.845 1.00 0.47 O ATOM 504 CB CYS A 31 14.769 7.895 2.508 1.00 0.62 C ATOM 505 SG CYS A 31 15.500 8.293 0.887 1.00 1.10 S ATOM 0 H CYS A 31 12.142 8.297 0.876 1.00 0.44 H new ATOM 0 HA CYS A 31 13.179 6.617 1.844 1.00 0.45 H new ATOM 0 HB2 CYS A 31 14.890 8.752 3.170 1.00 0.62 H new ATOM 0 HB3 CYS A 31 15.324 7.068 2.952 1.00 0.62 H new ATOM 510 N LYS A 32 11.512 6.713 3.900 1.00 0.39 N ATOM 511 CA LYS A 32 10.893 6.381 5.172 1.00 0.43 C ATOM 512 C LYS A 32 11.435 5.053 5.700 1.00 0.45 C ATOM 513 O LYS A 32 12.198 4.374 5.013 1.00 0.55 O ATOM 514 CB LYS A 32 9.366 6.361 5.033 1.00 0.50 C ATOM 515 CG LYS A 32 8.794 5.155 4.305 1.00 0.53 C ATOM 516 CD LYS A 32 7.342 5.391 3.902 1.00 0.90 C ATOM 517 CE LYS A 32 6.478 5.854 5.073 1.00 2.05 C ATOM 518 NZ LYS A 32 6.578 4.952 6.252 1.00 2.72 N ATOM 0 H LYS A 32 10.926 6.536 3.084 1.00 0.39 H new ATOM 0 HA LYS A 32 11.146 7.150 5.902 1.00 0.43 H new ATOM 0 HB2 LYS A 32 8.927 6.405 6.030 1.00 0.50 H new ATOM 0 HB3 LYS A 32 9.054 7.263 4.507 1.00 0.50 H new ATOM 0 HG2 LYS A 32 9.391 4.946 3.417 1.00 0.53 H new ATOM 0 HG3 LYS A 32 8.858 4.276 4.946 1.00 0.53 H new ATOM 0 HD2 LYS A 32 7.305 6.139 3.110 1.00 0.90 H new ATOM 0 HD3 LYS A 32 6.928 4.470 3.491 1.00 0.90 H new ATOM 0 HE2 LYS A 32 6.777 6.861 5.364 1.00 2.05 H new ATOM 0 HE3 LYS A 32 5.438 5.911 4.752 1.00 2.05 H new ATOM 0 HZ1 LYS A 32 5.666 4.931 6.751 1.00 2.72 H new ATOM 0 HZ2 LYS A 32 6.822 3.992 5.935 1.00 2.72 H new ATOM 0 HZ3 LYS A 32 7.317 5.302 6.895 1.00 2.72 H new ATOM 532 N ASP A 33 11.056 4.696 6.923 1.00 0.49 N ATOM 533 CA ASP A 33 11.561 3.477 7.562 1.00 0.54 C ATOM 534 C ASP A 33 11.125 2.248 6.782 1.00 0.48 C ATOM 535 O ASP A 33 11.941 1.419 6.382 1.00 0.51 O ATOM 536 CB ASP A 33 11.043 3.353 8.997 1.00 0.66 C ATOM 537 CG ASP A 33 11.176 4.632 9.791 1.00 1.28 C ATOM 538 OD1 ASP A 33 12.286 4.925 10.279 1.00 1.57 O ATOM 539 OD2 ASP A 33 10.159 5.342 9.940 1.00 2.06 O ATOM 0 H ASP A 33 10.402 5.230 7.494 1.00 0.49 H new ATOM 0 HA ASP A 33 12.649 3.542 7.575 1.00 0.54 H new ATOM 0 HB2 ASP A 33 9.995 3.055 8.973 1.00 0.66 H new ATOM 0 HB3 ASP A 33 11.589 2.559 9.506 1.00 0.66 H new ATOM 544 N LYS A 34 9.825 2.141 6.576 1.00 0.44 N ATOM 545 CA LYS A 34 9.256 1.025 5.849 1.00 0.41 C ATOM 546 C LYS A 34 7.990 1.461 5.133 1.00 0.38 C ATOM 547 O LYS A 34 7.360 2.449 5.518 1.00 0.43 O ATOM 548 CB LYS A 34 8.977 -0.159 6.793 1.00 0.48 C ATOM 549 CG LYS A 34 8.212 0.193 8.065 1.00 0.95 C ATOM 550 CD LYS A 34 6.725 0.404 7.817 1.00 1.27 C ATOM 551 CE LYS A 34 5.970 0.661 9.114 1.00 1.96 C ATOM 552 NZ LYS A 34 5.919 -0.545 9.986 1.00 2.60 N ATOM 0 H LYS A 34 9.140 2.821 6.906 1.00 0.44 H new ATOM 0 HA LYS A 34 9.977 0.690 5.103 1.00 0.41 H new ATOM 0 HB2 LYS A 34 8.413 -0.915 6.246 1.00 0.48 H new ATOM 0 HB3 LYS A 34 9.928 -0.612 7.073 1.00 0.48 H new ATOM 0 HG2 LYS A 34 8.345 -0.604 8.796 1.00 0.95 H new ATOM 0 HG3 LYS A 34 8.636 1.098 8.500 1.00 0.95 H new ATOM 0 HD2 LYS A 34 6.585 1.247 7.141 1.00 1.27 H new ATOM 0 HD3 LYS A 34 6.310 -0.474 7.322 1.00 1.27 H new ATOM 0 HE2 LYS A 34 6.448 1.478 9.655 1.00 1.96 H new ATOM 0 HE3 LYS A 34 4.955 0.983 8.883 1.00 1.96 H new ATOM 0 HZ1 LYS A 34 5.245 -0.384 10.762 1.00 2.60 H new ATOM 0 HZ2 LYS A 34 5.612 -1.366 9.426 1.00 2.60 H new ATOM 0 HZ3 LYS A 34 6.864 -0.729 10.380 1.00 2.60 H new ATOM 566 N ASN A 35 7.630 0.737 4.089 1.00 0.37 N ATOM 567 CA ASN A 35 6.409 1.016 3.348 1.00 0.36 C ATOM 568 C ASN A 35 5.948 -0.234 2.608 1.00 0.34 C ATOM 569 O ASN A 35 6.661 -0.755 1.748 1.00 0.38 O ATOM 570 CB ASN A 35 6.610 2.178 2.366 1.00 0.36 C ATOM 571 CG ASN A 35 5.314 2.579 1.682 1.00 0.38 C ATOM 572 OD1 ASN A 35 4.557 3.402 2.196 1.00 0.75 O ATOM 573 ND2 ASN A 35 5.047 2.001 0.523 1.00 0.35 N ATOM 0 H ASN A 35 8.168 -0.053 3.732 1.00 0.37 H new ATOM 0 HA ASN A 35 5.638 1.310 4.060 1.00 0.36 H new ATOM 0 HB2 ASN A 35 7.018 3.036 2.899 1.00 0.36 H new ATOM 0 HB3 ASN A 35 7.344 1.892 1.612 1.00 0.36 H new ATOM 0 HD21 ASN A 35 4.189 2.233 0.023 1.00 0.35 H new ATOM 0 HD22 ASN A 35 5.699 1.323 0.129 1.00 0.35 H new ATOM 580 N THR A 36 4.769 -0.722 2.962 1.00 0.32 N ATOM 581 CA THR A 36 4.220 -1.928 2.360 1.00 0.30 C ATOM 582 C THR A 36 3.408 -1.593 1.108 1.00 0.26 C ATOM 583 O THR A 36 2.416 -0.857 1.171 1.00 0.28 O ATOM 584 CB THR A 36 3.325 -2.679 3.364 1.00 0.36 C ATOM 585 OG1 THR A 36 4.030 -2.869 4.599 1.00 0.45 O ATOM 586 CG2 THR A 36 2.894 -4.032 2.809 1.00 0.37 C ATOM 0 H THR A 36 4.169 -0.297 3.669 1.00 0.32 H new ATOM 0 HA THR A 36 5.057 -2.566 2.079 1.00 0.30 H new ATOM 0 HB THR A 36 2.433 -2.078 3.539 1.00 0.36 H new ATOM 0 HG1 THR A 36 4.299 -3.808 4.681 1.00 0.45 H new ATOM 0 HG21 THR A 36 2.263 -4.540 3.538 1.00 0.37 H new ATOM 0 HG22 THR A 36 2.334 -3.885 1.885 1.00 0.37 H new ATOM 0 HG23 THR A 36 3.776 -4.640 2.606 1.00 0.37 H new ATOM 594 N PHE A 37 3.840 -2.120 -0.028 1.00 0.21 N ATOM 595 CA PHE A 37 3.119 -1.940 -1.279 1.00 0.18 C ATOM 596 C PHE A 37 2.192 -3.120 -1.524 1.00 0.18 C ATOM 597 O PHE A 37 2.358 -4.189 -0.937 1.00 0.21 O ATOM 598 CB PHE A 37 4.083 -1.802 -2.460 1.00 0.17 C ATOM 599 CG PHE A 37 4.958 -0.581 -2.411 1.00 0.17 C ATOM 600 CD1 PHE A 37 6.123 -0.581 -1.662 1.00 0.19 C ATOM 601 CD2 PHE A 37 4.625 0.562 -3.128 1.00 0.19 C ATOM 602 CE1 PHE A 37 6.941 0.529 -1.629 1.00 0.21 C ATOM 603 CE2 PHE A 37 5.441 1.676 -3.094 1.00 0.20 C ATOM 604 CZ PHE A 37 6.601 1.656 -2.344 1.00 0.20 C ATOM 0 H PHE A 37 4.690 -2.678 -0.109 1.00 0.21 H new ATOM 0 HA PHE A 37 2.535 -1.023 -1.196 1.00 0.18 H new ATOM 0 HB2 PHE A 37 4.718 -2.687 -2.500 1.00 0.17 H new ATOM 0 HB3 PHE A 37 3.505 -1.783 -3.384 1.00 0.17 H new ATOM 0 HD1 PHE A 37 6.394 -1.461 -1.097 1.00 0.19 H new ATOM 0 HD2 PHE A 37 3.720 0.579 -3.717 1.00 0.19 H new ATOM 0 HE1 PHE A 37 7.848 0.514 -1.043 1.00 0.21 H new ATOM 0 HE2 PHE A 37 5.173 2.561 -3.652 1.00 0.20 H new ATOM 0 HZ PHE A 37 7.242 2.525 -2.318 1.00 0.20 H new ATOM 614 N ILE A 38 1.222 -2.913 -2.391 1.00 0.18 N ATOM 615 CA ILE A 38 0.250 -3.934 -2.733 1.00 0.17 C ATOM 616 C ILE A 38 0.352 -4.264 -4.214 1.00 0.17 C ATOM 617 O ILE A 38 0.137 -3.398 -5.064 1.00 0.18 O ATOM 618 CB ILE A 38 -1.184 -3.447 -2.420 1.00 0.18 C ATOM 619 CG1 ILE A 38 -1.289 -3.019 -0.953 1.00 0.20 C ATOM 620 CG2 ILE A 38 -2.211 -4.529 -2.742 1.00 0.17 C ATOM 621 CD1 ILE A 38 -2.538 -2.227 -0.638 1.00 0.22 C ATOM 0 H ILE A 38 1.084 -2.029 -2.881 1.00 0.18 H new ATOM 0 HA ILE A 38 0.461 -4.823 -2.139 1.00 0.17 H new ATOM 0 HB ILE A 38 -1.399 -2.584 -3.051 1.00 0.18 H new ATOM 0 HG12 ILE A 38 -1.264 -3.907 -0.322 1.00 0.20 H new ATOM 0 HG13 ILE A 38 -0.415 -2.420 -0.695 1.00 0.20 H new ATOM 0 HG21 ILE A 38 -3.211 -4.161 -2.513 1.00 0.17 H new ATOM 0 HG22 ILE A 38 -2.152 -4.784 -3.800 1.00 0.17 H new ATOM 0 HG23 ILE A 38 -2.005 -5.416 -2.143 1.00 0.17 H new ATOM 0 HD11 ILE A 38 -2.542 -1.959 0.419 1.00 0.22 H new ATOM 0 HD12 ILE A 38 -2.556 -1.320 -1.242 1.00 0.22 H new ATOM 0 HD13 ILE A 38 -3.418 -2.830 -0.863 1.00 0.22 H new ATOM 633 N TYR A 39 0.715 -5.499 -4.522 1.00 0.16 N ATOM 634 CA TYR A 39 0.724 -5.964 -5.896 1.00 0.17 C ATOM 635 C TYR A 39 -0.692 -6.286 -6.328 1.00 0.18 C ATOM 636 O TYR A 39 -1.190 -7.397 -6.127 1.00 0.18 O ATOM 637 CB TYR A 39 1.629 -7.185 -6.078 1.00 0.20 C ATOM 638 CG TYR A 39 1.582 -7.761 -7.477 1.00 0.23 C ATOM 639 CD1 TYR A 39 2.178 -7.101 -8.546 1.00 0.26 C ATOM 640 CD2 TYR A 39 0.955 -8.972 -7.726 1.00 0.29 C ATOM 641 CE1 TYR A 39 2.147 -7.632 -9.819 1.00 0.31 C ATOM 642 CE2 TYR A 39 0.919 -9.507 -8.996 1.00 0.34 C ATOM 643 CZ TYR A 39 1.478 -8.800 -10.051 1.00 0.35 C ATOM 644 OH TYR A 39 1.478 -9.375 -11.302 1.00 0.40 O ATOM 0 H TYR A 39 1.007 -6.196 -3.837 1.00 0.16 H new ATOM 0 HA TYR A 39 1.127 -5.168 -6.523 1.00 0.17 H new ATOM 0 HB2 TYR A 39 2.656 -6.906 -5.842 1.00 0.20 H new ATOM 0 HB3 TYR A 39 1.336 -7.956 -5.365 1.00 0.20 H new ATOM 0 HD1 TYR A 39 2.674 -6.156 -8.377 1.00 0.26 H new ATOM 0 HD2 TYR A 39 0.487 -9.505 -6.912 1.00 0.29 H new ATOM 0 HE1 TYR A 39 2.650 -7.126 -10.630 1.00 0.31 H new ATOM 0 HE2 TYR A 39 0.459 -10.469 -9.168 1.00 0.34 H new ATOM 0 HH TYR A 39 0.952 -10.202 -11.282 1.00 0.40 H new ATOM 654 N SER A 40 -1.336 -5.284 -6.874 1.00 0.23 N ATOM 655 CA SER A 40 -2.690 -5.396 -7.355 1.00 0.26 C ATOM 656 C SER A 40 -3.038 -4.104 -8.069 1.00 0.29 C ATOM 657 O SER A 40 -2.222 -3.181 -8.121 1.00 0.50 O ATOM 658 CB SER A 40 -3.662 -5.661 -6.194 1.00 0.25 C ATOM 659 OG SER A 40 -4.973 -5.919 -6.670 1.00 0.93 O ATOM 0 H SER A 40 -0.929 -4.357 -6.998 1.00 0.23 H new ATOM 0 HA SER A 40 -2.776 -6.238 -8.042 1.00 0.26 H new ATOM 0 HB2 SER A 40 -3.311 -6.511 -5.609 1.00 0.25 H new ATOM 0 HB3 SER A 40 -3.678 -4.800 -5.526 1.00 0.25 H new ATOM 0 HG SER A 40 -5.570 -6.086 -5.911 1.00 0.93 H new ATOM 665 N ARG A 41 -4.226 -4.033 -8.620 1.00 0.25 N ATOM 666 CA ARG A 41 -4.632 -2.861 -9.361 1.00 0.27 C ATOM 667 C ARG A 41 -5.514 -1.975 -8.515 1.00 0.22 C ATOM 668 O ARG A 41 -6.138 -2.427 -7.558 1.00 0.23 O ATOM 669 CB ARG A 41 -5.318 -3.274 -10.653 1.00 0.33 C ATOM 670 CG ARG A 41 -4.359 -3.985 -11.570 1.00 0.54 C ATOM 671 CD ARG A 41 -5.027 -4.500 -12.815 1.00 1.08 C ATOM 672 NE ARG A 41 -4.061 -5.211 -13.641 1.00 1.30 N ATOM 673 CZ ARG A 41 -4.252 -6.433 -14.144 1.00 2.21 C ATOM 674 NH1 ARG A 41 -5.429 -7.043 -14.024 1.00 2.92 N ATOM 675 NH2 ARG A 41 -3.266 -7.046 -14.787 1.00 2.66 N ATOM 0 H ARG A 41 -4.928 -4.771 -8.570 1.00 0.25 H new ATOM 0 HA ARG A 41 -3.748 -2.280 -9.623 1.00 0.27 H new ATOM 0 HB2 ARG A 41 -6.162 -3.926 -10.428 1.00 0.33 H new ATOM 0 HB3 ARG A 41 -5.720 -2.393 -11.153 1.00 0.33 H new ATOM 0 HG2 ARG A 41 -3.555 -3.304 -11.848 1.00 0.54 H new ATOM 0 HG3 ARG A 41 -3.901 -4.818 -11.036 1.00 0.54 H new ATOM 0 HD2 ARG A 41 -5.849 -5.165 -12.548 1.00 1.08 H new ATOM 0 HD3 ARG A 41 -5.457 -3.671 -13.376 1.00 1.08 H new ATOM 0 HE ARG A 41 -3.179 -4.744 -13.849 1.00 1.30 H new ATOM 0 HH11 ARG A 41 -6.198 -6.577 -13.543 1.00 2.92 H new ATOM 0 HH12 ARG A 41 -5.562 -7.977 -14.413 1.00 2.92 H new ATOM 0 HH21 ARG A 41 -2.363 -6.584 -14.896 1.00 2.66 H new ATOM 0 HH22 ARG A 41 -3.411 -7.980 -15.172 1.00 2.66 H new ATOM 689 N PRO A 42 -5.581 -0.697 -8.867 1.00 0.22 N ATOM 690 CA PRO A 42 -6.316 0.283 -8.084 1.00 0.21 C ATOM 691 C PRO A 42 -7.816 0.024 -8.133 1.00 0.20 C ATOM 692 O PRO A 42 -8.542 0.362 -7.208 1.00 0.23 O ATOM 693 CB PRO A 42 -5.955 1.623 -8.729 1.00 0.24 C ATOM 694 CG PRO A 42 -5.447 1.300 -10.095 1.00 0.25 C ATOM 695 CD PRO A 42 -4.967 -0.125 -10.075 1.00 0.30 C ATOM 0 HA PRO A 42 -6.056 0.249 -7.026 1.00 0.21 H new ATOM 0 HB2 PRO A 42 -6.825 2.278 -8.781 1.00 0.24 H new ATOM 0 HB3 PRO A 42 -5.198 2.146 -8.145 1.00 0.24 H new ATOM 0 HG2 PRO A 42 -6.235 1.428 -10.837 1.00 0.25 H new ATOM 0 HG3 PRO A 42 -4.636 1.974 -10.371 1.00 0.25 H new ATOM 0 HD2 PRO A 42 -5.277 -0.662 -10.971 1.00 0.30 H new ATOM 0 HD3 PRO A 42 -3.879 -0.178 -10.032 1.00 0.30 H new ATOM 703 N GLU A 43 -8.267 -0.631 -9.189 1.00 0.21 N ATOM 704 CA GLU A 43 -9.683 -0.917 -9.346 1.00 0.25 C ATOM 705 C GLU A 43 -10.165 -1.985 -8.346 1.00 0.23 C ATOM 706 O GLU A 43 -11.078 -1.722 -7.564 1.00 0.24 O ATOM 707 CB GLU A 43 -9.986 -1.333 -10.782 1.00 0.36 C ATOM 708 CG GLU A 43 -9.908 -0.186 -11.778 1.00 0.48 C ATOM 709 CD GLU A 43 -10.743 1.008 -11.360 1.00 1.60 C ATOM 710 OE1 GLU A 43 -11.974 0.855 -11.216 1.00 1.99 O ATOM 711 OE2 GLU A 43 -10.177 2.106 -11.184 1.00 2.36 O ATOM 0 H GLU A 43 -7.677 -0.973 -9.947 1.00 0.21 H new ATOM 0 HA GLU A 43 -10.234 -0.002 -9.127 1.00 0.25 H new ATOM 0 HB2 GLU A 43 -9.284 -2.111 -11.082 1.00 0.36 H new ATOM 0 HB3 GLU A 43 -10.984 -1.770 -10.822 1.00 0.36 H new ATOM 0 HG2 GLU A 43 -8.869 0.123 -11.889 1.00 0.48 H new ATOM 0 HG3 GLU A 43 -10.243 -0.535 -12.755 1.00 0.48 H new ATOM 718 N PRO A 44 -9.562 -3.196 -8.348 1.00 0.24 N ATOM 719 CA PRO A 44 -9.943 -4.277 -7.423 1.00 0.26 C ATOM 720 C PRO A 44 -9.655 -3.945 -5.953 1.00 0.24 C ATOM 721 O PRO A 44 -10.259 -4.528 -5.052 1.00 0.27 O ATOM 722 CB PRO A 44 -9.090 -5.467 -7.884 1.00 0.30 C ATOM 723 CG PRO A 44 -7.945 -4.858 -8.608 1.00 0.36 C ATOM 724 CD PRO A 44 -8.494 -3.627 -9.263 1.00 0.27 C ATOM 0 HA PRO A 44 -11.016 -4.465 -7.455 1.00 0.26 H new ATOM 0 HB2 PRO A 44 -8.750 -6.062 -7.036 1.00 0.30 H new ATOM 0 HB3 PRO A 44 -9.659 -6.133 -8.533 1.00 0.30 H new ATOM 0 HG2 PRO A 44 -7.135 -4.610 -7.923 1.00 0.36 H new ATOM 0 HG3 PRO A 44 -7.537 -5.547 -9.347 1.00 0.36 H new ATOM 0 HD2 PRO A 44 -7.729 -2.859 -9.377 1.00 0.27 H new ATOM 0 HD3 PRO A 44 -8.882 -3.842 -10.259 1.00 0.27 H new ATOM 732 N VAL A 45 -8.759 -2.993 -5.713 1.00 0.20 N ATOM 733 CA VAL A 45 -8.440 -2.588 -4.345 1.00 0.19 C ATOM 734 C VAL A 45 -9.407 -1.497 -3.885 1.00 0.17 C ATOM 735 O VAL A 45 -9.751 -1.406 -2.708 1.00 0.18 O ATOM 736 CB VAL A 45 -6.976 -2.093 -4.215 1.00 0.19 C ATOM 737 CG1 VAL A 45 -6.695 -1.561 -2.816 1.00 0.20 C ATOM 738 CG2 VAL A 45 -6.004 -3.213 -4.555 1.00 0.23 C ATOM 0 H VAL A 45 -8.245 -2.491 -6.437 1.00 0.20 H new ATOM 0 HA VAL A 45 -8.548 -3.464 -3.706 1.00 0.19 H new ATOM 0 HB VAL A 45 -6.836 -1.276 -4.923 1.00 0.19 H new ATOM 0 HG11 VAL A 45 -5.661 -1.222 -2.757 1.00 0.20 H new ATOM 0 HG12 VAL A 45 -7.363 -0.727 -2.603 1.00 0.20 H new ATOM 0 HG13 VAL A 45 -6.859 -2.353 -2.086 1.00 0.20 H new ATOM 0 HG21 VAL A 45 -4.981 -2.849 -4.459 1.00 0.23 H new ATOM 0 HG22 VAL A 45 -6.158 -4.048 -3.872 1.00 0.23 H new ATOM 0 HG23 VAL A 45 -6.176 -3.546 -5.579 1.00 0.23 H new ATOM 748 N LYS A 46 -9.869 -0.690 -4.827 1.00 0.15 N ATOM 749 CA LYS A 46 -10.887 0.307 -4.535 1.00 0.15 C ATOM 750 C LYS A 46 -12.223 -0.388 -4.292 1.00 0.17 C ATOM 751 O LYS A 46 -13.053 0.077 -3.511 1.00 0.20 O ATOM 752 CB LYS A 46 -11.007 1.285 -5.700 1.00 0.17 C ATOM 753 CG LYS A 46 -11.800 2.537 -5.384 1.00 0.20 C ATOM 754 CD LYS A 46 -11.939 3.402 -6.620 1.00 0.27 C ATOM 755 CE LYS A 46 -12.520 4.764 -6.298 1.00 0.37 C ATOM 756 NZ LYS A 46 -12.833 5.532 -7.531 1.00 1.36 N ATOM 0 H LYS A 46 -9.556 -0.705 -5.798 1.00 0.15 H new ATOM 0 HA LYS A 46 -10.604 0.863 -3.641 1.00 0.15 H new ATOM 0 HB2 LYS A 46 -10.006 1.574 -6.021 1.00 0.17 H new ATOM 0 HB3 LYS A 46 -11.476 0.774 -6.541 1.00 0.17 H new ATOM 0 HG2 LYS A 46 -12.787 2.265 -5.010 1.00 0.20 H new ATOM 0 HG3 LYS A 46 -11.304 3.099 -4.593 1.00 0.20 H new ATOM 0 HD2 LYS A 46 -10.962 3.526 -7.087 1.00 0.27 H new ATOM 0 HD3 LYS A 46 -12.578 2.898 -7.345 1.00 0.27 H new ATOM 0 HE2 LYS A 46 -13.426 4.642 -5.705 1.00 0.37 H new ATOM 0 HE3 LYS A 46 -11.813 5.327 -5.688 1.00 0.37 H new ATOM 0 HZ1 LYS A 46 -13.229 6.458 -7.272 1.00 1.36 H new ATOM 0 HZ2 LYS A 46 -11.963 5.669 -8.085 1.00 1.36 H new ATOM 0 HZ3 LYS A 46 -13.527 5.006 -8.101 1.00 1.36 H new ATOM 770 N ALA A 47 -12.398 -1.529 -4.954 1.00 0.18 N ATOM 771 CA ALA A 47 -13.615 -2.323 -4.844 1.00 0.22 C ATOM 772 C ALA A 47 -13.761 -2.925 -3.452 1.00 0.22 C ATOM 773 O ALA A 47 -14.838 -3.391 -3.078 1.00 0.27 O ATOM 774 CB ALA A 47 -13.625 -3.420 -5.899 1.00 0.26 C ATOM 0 H ALA A 47 -11.699 -1.928 -5.581 1.00 0.18 H new ATOM 0 HA ALA A 47 -14.464 -1.661 -5.012 1.00 0.22 H new ATOM 0 HB1 ALA A 47 -14.539 -4.006 -5.806 1.00 0.26 H new ATOM 0 HB2 ALA A 47 -13.581 -2.971 -6.891 1.00 0.26 H new ATOM 0 HB3 ALA A 47 -12.762 -4.070 -5.756 1.00 0.26 H new ATOM 780 N ILE A 48 -12.675 -2.919 -2.685 1.00 0.20 N ATOM 781 CA ILE A 48 -12.717 -3.368 -1.299 1.00 0.21 C ATOM 782 C ILE A 48 -13.594 -2.422 -0.488 1.00 0.21 C ATOM 783 O ILE A 48 -14.257 -2.822 0.469 1.00 0.23 O ATOM 784 CB ILE A 48 -11.303 -3.430 -0.677 1.00 0.20 C ATOM 785 CG1 ILE A 48 -10.393 -4.307 -1.541 1.00 0.21 C ATOM 786 CG2 ILE A 48 -11.372 -3.973 0.746 1.00 0.22 C ATOM 787 CD1 ILE A 48 -8.947 -4.305 -1.103 1.00 0.21 C ATOM 0 H ILE A 48 -11.756 -2.608 -3.000 1.00 0.20 H new ATOM 0 HA ILE A 48 -13.134 -4.375 -1.280 1.00 0.21 H new ATOM 0 HB ILE A 48 -10.889 -2.422 -0.639 1.00 0.20 H new ATOM 0 HG12 ILE A 48 -10.767 -5.331 -1.522 1.00 0.21 H new ATOM 0 HG13 ILE A 48 -10.450 -3.966 -2.575 1.00 0.21 H new ATOM 0 HG21 ILE A 48 -10.369 -4.011 1.170 1.00 0.22 H new ATOM 0 HG22 ILE A 48 -11.999 -3.321 1.354 1.00 0.22 H new ATOM 0 HG23 ILE A 48 -11.798 -4.976 0.732 1.00 0.22 H new ATOM 0 HD11 ILE A 48 -8.366 -4.949 -1.763 1.00 0.21 H new ATOM 0 HD12 ILE A 48 -8.554 -3.289 -1.149 1.00 0.21 H new ATOM 0 HD13 ILE A 48 -8.876 -4.676 -0.080 1.00 0.21 H new ATOM 799 N CYS A 49 -13.623 -1.170 -0.914 1.00 0.20 N ATOM 800 CA CYS A 49 -14.383 -0.142 -0.231 1.00 0.21 C ATOM 801 C CYS A 49 -15.711 0.121 -0.935 1.00 0.25 C ATOM 802 O CYS A 49 -16.368 1.135 -0.691 1.00 0.25 O ATOM 803 CB CYS A 49 -13.540 1.127 -0.152 1.00 0.19 C ATOM 804 SG CYS A 49 -11.995 0.900 0.783 1.00 0.18 S ATOM 0 H CYS A 49 -13.122 -0.841 -1.739 1.00 0.20 H new ATOM 0 HA CYS A 49 -14.620 -0.480 0.778 1.00 0.21 H new ATOM 0 HB2 CYS A 49 -13.301 1.461 -1.162 1.00 0.19 H new ATOM 0 HB3 CYS A 49 -14.127 1.918 0.315 1.00 0.19 H new ATOM 809 N LYS A 50 -16.108 -0.808 -1.799 1.00 0.32 N ATOM 810 CA LYS A 50 -17.383 -0.716 -2.502 1.00 0.40 C ATOM 811 C LYS A 50 -18.547 -0.664 -1.515 1.00 0.39 C ATOM 812 O LYS A 50 -18.760 -1.595 -0.737 1.00 0.47 O ATOM 813 CB LYS A 50 -17.557 -1.909 -3.447 1.00 0.54 C ATOM 814 CG LYS A 50 -18.835 -1.857 -4.275 1.00 0.68 C ATOM 815 CD LYS A 50 -18.982 -3.080 -5.173 1.00 0.92 C ATOM 816 CE LYS A 50 -17.858 -3.168 -6.194 1.00 1.58 C ATOM 817 NZ LYS A 50 -18.034 -4.314 -7.122 1.00 2.33 N ATOM 0 H LYS A 50 -15.561 -1.638 -2.030 1.00 0.32 H new ATOM 0 HA LYS A 50 -17.381 0.205 -3.085 1.00 0.40 H new ATOM 0 HB2 LYS A 50 -16.701 -1.955 -4.120 1.00 0.54 H new ATOM 0 HB3 LYS A 50 -17.552 -2.828 -2.861 1.00 0.54 H new ATOM 0 HG2 LYS A 50 -19.696 -1.790 -3.610 1.00 0.68 H new ATOM 0 HG3 LYS A 50 -18.834 -0.955 -4.887 1.00 0.68 H new ATOM 0 HD2 LYS A 50 -18.989 -3.982 -4.561 1.00 0.92 H new ATOM 0 HD3 LYS A 50 -19.941 -3.038 -5.690 1.00 0.92 H new ATOM 0 HE2 LYS A 50 -17.816 -2.242 -6.767 1.00 1.58 H new ATOM 0 HE3 LYS A 50 -16.904 -3.266 -5.675 1.00 1.58 H new ATOM 0 HZ1 LYS A 50 -17.246 -4.336 -7.800 1.00 2.33 H new ATOM 0 HZ2 LYS A 50 -18.048 -5.201 -6.579 1.00 2.33 H new ATOM 0 HZ3 LYS A 50 -18.931 -4.209 -7.637 1.00 2.33 H new ATOM 831 N GLY A 51 -19.282 0.437 -1.553 1.00 0.36 N ATOM 832 CA GLY A 51 -20.445 0.596 -0.702 1.00 0.38 C ATOM 833 C GLY A 51 -20.120 1.215 0.645 1.00 0.37 C ATOM 834 O GLY A 51 -20.970 1.259 1.530 1.00 0.44 O ATOM 0 H GLY A 51 -19.092 1.231 -2.164 1.00 0.36 H new ATOM 0 HA2 GLY A 51 -21.179 1.219 -1.213 1.00 0.38 H new ATOM 0 HA3 GLY A 51 -20.908 -0.378 -0.545 1.00 0.38 H new ATOM 838 N ILE A 52 -18.896 1.702 0.806 1.00 0.31 N ATOM 839 CA ILE A 52 -18.471 2.268 2.076 1.00 0.29 C ATOM 840 C ILE A 52 -18.227 3.761 1.924 1.00 0.29 C ATOM 841 O ILE A 52 -17.146 4.187 1.519 1.00 0.27 O ATOM 842 CB ILE A 52 -17.181 1.600 2.589 1.00 0.26 C ATOM 843 CG1 ILE A 52 -17.272 0.079 2.445 1.00 0.28 C ATOM 844 CG2 ILE A 52 -16.929 1.984 4.042 1.00 0.28 C ATOM 845 CD1 ILE A 52 -18.383 -0.553 3.254 1.00 0.33 C ATOM 0 H ILE A 52 -18.184 1.716 0.075 1.00 0.31 H new ATOM 0 HA ILE A 52 -19.267 2.089 2.799 1.00 0.29 H new ATOM 0 HB ILE A 52 -16.344 1.953 1.987 1.00 0.26 H new ATOM 0 HG12 ILE A 52 -17.418 -0.167 1.393 1.00 0.28 H new ATOM 0 HG13 ILE A 52 -16.322 -0.361 2.747 1.00 0.28 H new ATOM 0 HG21 ILE A 52 -16.014 1.505 4.392 1.00 0.28 H new ATOM 0 HG22 ILE A 52 -16.824 3.066 4.119 1.00 0.28 H new ATOM 0 HG23 ILE A 52 -17.768 1.656 4.656 1.00 0.28 H new ATOM 0 HD11 ILE A 52 -18.379 -1.632 3.097 1.00 0.33 H new ATOM 0 HD12 ILE A 52 -18.229 -0.340 4.312 1.00 0.33 H new ATOM 0 HD13 ILE A 52 -19.342 -0.143 2.937 1.00 0.33 H new ATOM 857 N ILE A 53 -19.237 4.552 2.231 1.00 0.33 N ATOM 858 CA ILE A 53 -19.158 5.988 2.048 1.00 0.35 C ATOM 859 C ILE A 53 -18.559 6.658 3.275 1.00 0.34 C ATOM 860 O ILE A 53 -17.640 7.474 3.166 1.00 0.35 O ATOM 861 CB ILE A 53 -20.545 6.585 1.769 1.00 0.40 C ATOM 862 CG1 ILE A 53 -21.179 5.930 0.547 1.00 0.49 C ATOM 863 CG2 ILE A 53 -20.455 8.085 1.589 1.00 0.42 C ATOM 864 CD1 ILE A 53 -20.243 5.774 -0.627 1.00 0.55 C ATOM 0 H ILE A 53 -20.125 4.223 2.610 1.00 0.33 H new ATOM 0 HA ILE A 53 -18.513 6.172 1.189 1.00 0.35 H new ATOM 0 HB ILE A 53 -21.182 6.384 2.630 1.00 0.40 H new ATOM 0 HG12 ILE A 53 -21.556 4.947 0.830 1.00 0.49 H new ATOM 0 HG13 ILE A 53 -22.039 6.523 0.236 1.00 0.49 H new ATOM 0 HG21 ILE A 53 -21.448 8.488 1.392 1.00 0.42 H new ATOM 0 HG22 ILE A 53 -20.053 8.537 2.496 1.00 0.42 H new ATOM 0 HG23 ILE A 53 -19.799 8.312 0.749 1.00 0.42 H new ATOM 0 HD11 ILE A 53 -20.772 5.300 -1.454 1.00 0.55 H new ATOM 0 HD12 ILE A 53 -19.885 6.755 -0.940 1.00 0.55 H new ATOM 0 HD13 ILE A 53 -19.395 5.154 -0.336 1.00 0.55 H new ATOM 876 N ALA A 54 -19.102 6.324 4.433 1.00 0.37 N ATOM 877 CA ALA A 54 -18.585 6.827 5.696 1.00 0.38 C ATOM 878 C ALA A 54 -17.179 6.299 5.952 1.00 0.33 C ATOM 879 O ALA A 54 -16.894 5.136 5.671 1.00 0.32 O ATOM 880 CB ALA A 54 -19.509 6.437 6.839 1.00 0.46 C ATOM 0 H ALA A 54 -19.906 5.703 4.526 1.00 0.37 H new ATOM 0 HA ALA A 54 -18.539 7.914 5.637 1.00 0.38 H new ATOM 0 HB1 ALA A 54 -19.109 6.821 7.778 1.00 0.46 H new ATOM 0 HB2 ALA A 54 -20.499 6.860 6.667 1.00 0.46 H new ATOM 0 HB3 ALA A 54 -19.583 5.351 6.893 1.00 0.46 H new ATOM 886 N SER A 55 -16.307 7.176 6.442 1.00 0.34 N ATOM 887 CA SER A 55 -14.940 6.812 6.807 1.00 0.34 C ATOM 888 C SER A 55 -14.944 5.593 7.741 1.00 0.32 C ATOM 889 O SER A 55 -15.247 5.714 8.934 1.00 0.36 O ATOM 890 CB SER A 55 -14.262 8.005 7.489 1.00 0.41 C ATOM 891 OG SER A 55 -12.853 7.849 7.542 1.00 1.42 O ATOM 0 H SER A 55 -16.528 8.160 6.597 1.00 0.34 H new ATOM 0 HA SER A 55 -14.384 6.550 5.907 1.00 0.34 H new ATOM 0 HB2 SER A 55 -14.507 8.920 6.949 1.00 0.41 H new ATOM 0 HB3 SER A 55 -14.654 8.117 8.500 1.00 0.41 H new ATOM 0 HG SER A 55 -12.428 8.518 6.966 1.00 1.42 H new ATOM 897 N LYS A 56 -14.634 4.426 7.194 1.00 0.30 N ATOM 898 CA LYS A 56 -14.703 3.183 7.949 1.00 0.31 C ATOM 899 C LYS A 56 -13.509 2.287 7.645 1.00 0.29 C ATOM 900 O LYS A 56 -13.153 2.089 6.486 1.00 0.27 O ATOM 901 CB LYS A 56 -15.994 2.439 7.600 1.00 0.34 C ATOM 902 CG LYS A 56 -16.145 1.097 8.299 1.00 0.40 C ATOM 903 CD LYS A 56 -17.209 0.245 7.624 1.00 0.51 C ATOM 904 CE LYS A 56 -17.398 -1.092 8.325 1.00 0.94 C ATOM 905 NZ LYS A 56 -16.118 -1.833 8.493 1.00 1.71 N ATOM 0 H LYS A 56 -14.331 4.314 6.226 1.00 0.30 H new ATOM 0 HA LYS A 56 -14.689 3.430 9.010 1.00 0.31 H new ATOM 0 HB2 LYS A 56 -16.845 3.069 7.858 1.00 0.34 H new ATOM 0 HB3 LYS A 56 -16.030 2.281 6.522 1.00 0.34 H new ATOM 0 HG2 LYS A 56 -15.192 0.569 8.289 1.00 0.40 H new ATOM 0 HG3 LYS A 56 -16.411 1.256 9.344 1.00 0.40 H new ATOM 0 HD2 LYS A 56 -18.155 0.786 7.615 1.00 0.51 H new ATOM 0 HD3 LYS A 56 -16.930 0.073 6.584 1.00 0.51 H new ATOM 0 HE2 LYS A 56 -17.849 -0.925 9.303 1.00 0.94 H new ATOM 0 HE3 LYS A 56 -18.096 -1.703 7.753 1.00 0.94 H new ATOM 0 HZ1 LYS A 56 -16.191 -2.762 8.031 1.00 1.71 H new ATOM 0 HZ2 LYS A 56 -15.344 -1.291 8.059 1.00 1.71 H new ATOM 0 HZ3 LYS A 56 -15.923 -1.964 9.506 1.00 1.71 H new ATOM 919 N ASN A 57 -12.899 1.748 8.689 1.00 0.36 N ATOM 920 CA ASN A 57 -11.831 0.768 8.537 1.00 0.37 C ATOM 921 C ASN A 57 -12.412 -0.561 8.070 1.00 0.33 C ATOM 922 O ASN A 57 -13.352 -1.080 8.675 1.00 0.41 O ATOM 923 CB ASN A 57 -11.091 0.580 9.864 1.00 0.50 C ATOM 924 CG ASN A 57 -10.174 1.740 10.209 1.00 0.80 C ATOM 925 OD1 ASN A 57 -10.301 2.840 9.667 1.00 1.49 O ATOM 926 ND2 ASN A 57 -9.259 1.510 11.139 1.00 1.13 N ATOM 0 H ASN A 57 -13.126 1.974 9.657 1.00 0.36 H new ATOM 0 HA ASN A 57 -11.123 1.130 7.791 1.00 0.37 H new ATOM 0 HB2 ASN A 57 -11.820 0.452 10.664 1.00 0.50 H new ATOM 0 HB3 ASN A 57 -10.504 -0.337 9.818 1.00 0.50 H new ATOM 0 HD21 ASN A 57 -8.628 2.257 11.430 1.00 1.13 H new ATOM 0 HD22 ASN A 57 -9.185 0.586 11.564 1.00 1.13 H new ATOM 933 N VAL A 58 -11.877 -1.094 6.983 1.00 0.28 N ATOM 934 CA VAL A 58 -12.353 -2.358 6.437 1.00 0.27 C ATOM 935 C VAL A 58 -11.192 -3.321 6.198 1.00 0.25 C ATOM 936 O VAL A 58 -10.294 -3.044 5.400 1.00 0.25 O ATOM 937 CB VAL A 58 -13.127 -2.143 5.116 1.00 0.28 C ATOM 938 CG1 VAL A 58 -13.507 -3.474 4.488 1.00 0.61 C ATOM 939 CG2 VAL A 58 -14.365 -1.289 5.354 1.00 0.57 C ATOM 0 H VAL A 58 -11.111 -0.671 6.459 1.00 0.28 H new ATOM 0 HA VAL A 58 -13.030 -2.793 7.172 1.00 0.27 H new ATOM 0 HB VAL A 58 -12.473 -1.615 4.421 1.00 0.28 H new ATOM 0 HG11 VAL A 58 -14.051 -3.296 3.560 1.00 0.61 H new ATOM 0 HG12 VAL A 58 -12.604 -4.047 4.276 1.00 0.61 H new ATOM 0 HG13 VAL A 58 -14.139 -4.034 5.177 1.00 0.61 H new ATOM 0 HG21 VAL A 58 -14.897 -1.149 4.413 1.00 0.57 H new ATOM 0 HG22 VAL A 58 -15.019 -1.788 6.069 1.00 0.57 H new ATOM 0 HG23 VAL A 58 -14.067 -0.318 5.750 1.00 0.57 H new ATOM 949 N LEU A 59 -11.205 -4.440 6.914 1.00 0.28 N ATOM 950 CA LEU A 59 -10.201 -5.477 6.746 1.00 0.26 C ATOM 951 C LEU A 59 -10.578 -6.361 5.557 1.00 0.26 C ATOM 952 O LEU A 59 -11.735 -6.758 5.417 1.00 0.30 O ATOM 953 CB LEU A 59 -10.092 -6.290 8.045 1.00 0.30 C ATOM 954 CG LEU A 59 -8.868 -7.200 8.186 1.00 0.34 C ATOM 955 CD1 LEU A 59 -9.111 -8.550 7.556 1.00 0.53 C ATOM 956 CD2 LEU A 59 -7.641 -6.554 7.578 1.00 0.67 C ATOM 0 H LEU A 59 -11.908 -4.650 7.622 1.00 0.28 H new ATOM 0 HA LEU A 59 -9.227 -5.034 6.540 1.00 0.26 H new ATOM 0 HB2 LEU A 59 -10.097 -5.594 8.884 1.00 0.30 H new ATOM 0 HB3 LEU A 59 -10.986 -6.906 8.137 1.00 0.30 H new ATOM 0 HG LEU A 59 -8.693 -7.348 9.252 1.00 0.34 H new ATOM 0 HD11 LEU A 59 -8.223 -9.171 7.673 1.00 0.53 H new ATOM 0 HD12 LEU A 59 -9.958 -9.032 8.044 1.00 0.53 H new ATOM 0 HD13 LEU A 59 -9.327 -8.423 6.495 1.00 0.53 H new ATOM 0 HD21 LEU A 59 -6.785 -7.220 7.691 1.00 0.67 H new ATOM 0 HD22 LEU A 59 -7.816 -6.365 6.519 1.00 0.67 H new ATOM 0 HD23 LEU A 59 -7.437 -5.611 8.086 1.00 0.67 H new ATOM 968 N THR A 60 -9.605 -6.660 4.709 1.00 0.22 N ATOM 969 CA THR A 60 -9.872 -7.360 3.458 1.00 0.22 C ATOM 970 C THR A 60 -10.225 -8.826 3.681 1.00 0.24 C ATOM 971 O THR A 60 -9.785 -9.455 4.641 1.00 0.33 O ATOM 972 CB THR A 60 -8.681 -7.256 2.487 1.00 0.21 C ATOM 973 OG1 THR A 60 -7.475 -7.682 3.129 1.00 0.25 O ATOM 974 CG2 THR A 60 -8.513 -5.831 1.987 1.00 0.24 C ATOM 0 H THR A 60 -8.623 -6.430 4.863 1.00 0.22 H new ATOM 0 HA THR A 60 -10.736 -6.866 3.013 1.00 0.22 H new ATOM 0 HB THR A 60 -8.885 -7.906 1.636 1.00 0.21 H new ATOM 0 HG1 THR A 60 -7.217 -8.564 2.789 1.00 0.25 H new ATOM 0 HG21 THR A 60 -7.666 -5.783 1.303 1.00 0.24 H new ATOM 0 HG22 THR A 60 -9.418 -5.519 1.466 1.00 0.24 H new ATOM 0 HG23 THR A 60 -8.334 -5.167 2.833 1.00 0.24 H new ATOM 982 N THR A 61 -11.016 -9.354 2.765 1.00 0.27 N ATOM 983 CA THR A 61 -11.518 -10.714 2.847 1.00 0.33 C ATOM 984 C THR A 61 -10.466 -11.738 2.432 1.00 0.33 C ATOM 985 O THR A 61 -10.566 -12.920 2.758 1.00 0.43 O ATOM 986 CB THR A 61 -12.745 -10.848 1.938 1.00 0.43 C ATOM 987 OG1 THR A 61 -12.490 -10.177 0.692 1.00 0.48 O ATOM 988 CG2 THR A 61 -13.972 -10.242 2.599 1.00 0.46 C ATOM 0 H THR A 61 -11.331 -8.848 1.937 1.00 0.27 H new ATOM 0 HA THR A 61 -11.783 -10.915 3.885 1.00 0.33 H new ATOM 0 HB THR A 61 -12.934 -11.906 1.759 1.00 0.43 H new ATOM 0 HG1 THR A 61 -13.272 -10.263 0.108 1.00 0.48 H new ATOM 0 HG21 THR A 61 -14.831 -10.348 1.937 1.00 0.46 H new ATOM 0 HG22 THR A 61 -14.172 -10.758 3.538 1.00 0.46 H new ATOM 0 HG23 THR A 61 -13.794 -9.185 2.797 1.00 0.46 H new ATOM 996 N SER A 62 -9.448 -11.265 1.735 1.00 0.28 N ATOM 997 CA SER A 62 -8.434 -12.135 1.162 1.00 0.31 C ATOM 998 C SER A 62 -7.048 -11.527 1.350 1.00 0.26 C ATOM 999 O SER A 62 -6.920 -10.318 1.576 1.00 0.24 O ATOM 1000 CB SER A 62 -8.711 -12.346 -0.332 1.00 0.41 C ATOM 1001 OG SER A 62 -10.024 -12.838 -0.548 1.00 1.09 O ATOM 0 H SER A 62 -9.300 -10.273 1.550 1.00 0.28 H new ATOM 0 HA SER A 62 -8.468 -13.097 1.673 1.00 0.31 H new ATOM 0 HB2 SER A 62 -8.581 -11.404 -0.865 1.00 0.41 H new ATOM 0 HB3 SER A 62 -7.985 -13.048 -0.743 1.00 0.41 H new ATOM 0 HG SER A 62 -10.173 -12.962 -1.509 1.00 1.09 H new ATOM 1007 N GLU A 63 -6.019 -12.365 1.270 1.00 0.26 N ATOM 1008 CA GLU A 63 -4.649 -11.886 1.351 1.00 0.23 C ATOM 1009 C GLU A 63 -4.173 -11.459 -0.023 1.00 0.24 C ATOM 1010 O GLU A 63 -4.346 -12.179 -1.007 1.00 0.35 O ATOM 1011 CB GLU A 63 -3.706 -12.954 1.911 1.00 0.25 C ATOM 1012 CG GLU A 63 -4.137 -13.500 3.261 1.00 0.34 C ATOM 1013 CD GLU A 63 -3.248 -14.620 3.756 1.00 1.20 C ATOM 1014 OE1 GLU A 63 -2.164 -14.329 4.307 1.00 2.06 O ATOM 1015 OE2 GLU A 63 -3.616 -15.796 3.579 1.00 1.44 O ATOM 0 H GLU A 63 -6.110 -13.374 1.150 1.00 0.26 H new ATOM 0 HA GLU A 63 -4.635 -11.035 2.032 1.00 0.23 H new ATOM 0 HB2 GLU A 63 -3.640 -13.777 1.200 1.00 0.25 H new ATOM 0 HB3 GLU A 63 -2.705 -12.531 2.002 1.00 0.25 H new ATOM 0 HG2 GLU A 63 -4.134 -12.691 3.992 1.00 0.34 H new ATOM 0 HG3 GLU A 63 -5.163 -13.862 3.190 1.00 0.34 H new ATOM 1022 N PHE A 64 -3.588 -10.285 -0.085 1.00 0.17 N ATOM 1023 CA PHE A 64 -3.071 -9.759 -1.330 1.00 0.17 C ATOM 1024 C PHE A 64 -1.566 -9.917 -1.371 1.00 0.16 C ATOM 1025 O PHE A 64 -0.931 -10.182 -0.348 1.00 0.15 O ATOM 1026 CB PHE A 64 -3.453 -8.290 -1.499 1.00 0.19 C ATOM 1027 CG PHE A 64 -4.909 -8.079 -1.809 1.00 0.21 C ATOM 1028 CD1 PHE A 64 -5.866 -8.149 -0.808 1.00 0.23 C ATOM 1029 CD2 PHE A 64 -5.319 -7.816 -3.106 1.00 0.26 C ATOM 1030 CE1 PHE A 64 -7.205 -7.958 -1.095 1.00 0.26 C ATOM 1031 CE2 PHE A 64 -6.656 -7.625 -3.400 1.00 0.29 C ATOM 1032 CZ PHE A 64 -7.601 -7.697 -2.394 1.00 0.28 C ATOM 0 H PHE A 64 -3.457 -9.671 0.719 1.00 0.17 H new ATOM 0 HA PHE A 64 -3.512 -10.322 -2.153 1.00 0.17 H new ATOM 0 HB2 PHE A 64 -3.203 -7.751 -0.585 1.00 0.19 H new ATOM 0 HB3 PHE A 64 -2.853 -7.857 -2.299 1.00 0.19 H new ATOM 0 HD1 PHE A 64 -5.562 -8.355 0.208 1.00 0.23 H new ATOM 0 HD2 PHE A 64 -4.585 -7.760 -3.897 1.00 0.26 H new ATOM 0 HE1 PHE A 64 -7.940 -8.013 -0.306 1.00 0.26 H new ATOM 0 HE2 PHE A 64 -6.962 -7.420 -4.415 1.00 0.29 H new ATOM 0 HZ PHE A 64 -8.646 -7.550 -2.622 1.00 0.28 H new ATOM 1042 N TYR A 65 -1.002 -9.755 -2.550 1.00 0.17 N ATOM 1043 CA TYR A 65 0.429 -9.904 -2.724 1.00 0.16 C ATOM 1044 C TYR A 65 1.123 -8.617 -2.321 1.00 0.16 C ATOM 1045 O TYR A 65 1.164 -7.661 -3.077 1.00 0.18 O ATOM 1046 CB TYR A 65 0.755 -10.264 -4.172 1.00 0.20 C ATOM 1047 CG TYR A 65 0.003 -11.477 -4.666 1.00 0.30 C ATOM 1048 CD1 TYR A 65 0.290 -12.742 -4.174 1.00 0.38 C ATOM 1049 CD2 TYR A 65 -1.003 -11.353 -5.616 1.00 0.40 C ATOM 1050 CE1 TYR A 65 -0.402 -13.852 -4.615 1.00 0.49 C ATOM 1051 CE2 TYR A 65 -1.702 -12.459 -6.062 1.00 0.51 C ATOM 1052 CZ TYR A 65 -1.398 -13.705 -5.559 1.00 0.54 C ATOM 1053 OH TYR A 65 -2.093 -14.809 -6.002 1.00 0.66 O ATOM 0 H TYR A 65 -1.512 -9.520 -3.402 1.00 0.17 H new ATOM 0 HA TYR A 65 0.787 -10.714 -2.088 1.00 0.16 H new ATOM 0 HB2 TYR A 65 0.521 -9.414 -4.813 1.00 0.20 H new ATOM 0 HB3 TYR A 65 1.826 -10.446 -4.262 1.00 0.20 H new ATOM 0 HD1 TYR A 65 1.068 -12.860 -3.434 1.00 0.38 H new ATOM 0 HD2 TYR A 65 -1.243 -10.377 -6.012 1.00 0.40 H new ATOM 0 HE1 TYR A 65 -0.165 -14.830 -4.223 1.00 0.49 H new ATOM 0 HE2 TYR A 65 -2.482 -12.347 -6.801 1.00 0.51 H new ATOM 0 HH TYR A 65 -2.760 -14.532 -6.664 1.00 0.66 H new ATOM 1063 N LEU A 66 1.653 -8.596 -1.120 1.00 0.15 N ATOM 1064 CA LEU A 66 2.241 -7.393 -0.569 1.00 0.16 C ATOM 1065 C LEU A 66 3.742 -7.375 -0.802 1.00 0.16 C ATOM 1066 O LEU A 66 4.371 -8.424 -0.970 1.00 0.20 O ATOM 1067 CB LEU A 66 1.937 -7.285 0.923 1.00 0.18 C ATOM 1068 CG LEU A 66 0.452 -7.355 1.280 1.00 0.19 C ATOM 1069 CD1 LEU A 66 0.255 -7.179 2.774 1.00 0.22 C ATOM 1070 CD2 LEU A 66 -0.344 -6.310 0.514 1.00 0.19 C ATOM 0 H LEU A 66 1.690 -9.405 -0.500 1.00 0.15 H new ATOM 0 HA LEU A 66 1.802 -6.535 -1.078 1.00 0.16 H new ATOM 0 HB2 LEU A 66 2.460 -8.086 1.445 1.00 0.18 H new ATOM 0 HB3 LEU A 66 2.342 -6.344 1.295 1.00 0.18 H new ATOM 0 HG LEU A 66 0.083 -8.340 0.993 1.00 0.19 H new ATOM 0 HD11 LEU A 66 -0.808 -7.232 3.010 1.00 0.22 H new ATOM 0 HD12 LEU A 66 0.784 -7.969 3.306 1.00 0.22 H new ATOM 0 HD13 LEU A 66 0.647 -6.209 3.081 1.00 0.22 H new ATOM 0 HD21 LEU A 66 -1.397 -6.382 0.787 1.00 0.19 H new ATOM 0 HD22 LEU A 66 0.028 -5.316 0.762 1.00 0.19 H new ATOM 0 HD23 LEU A 66 -0.234 -6.482 -0.557 1.00 0.19 H new ATOM 1082 N SER A 67 4.300 -6.184 -0.865 1.00 0.17 N ATOM 1083 CA SER A 67 5.734 -6.020 -0.958 1.00 0.18 C ATOM 1084 C SER A 67 6.201 -5.055 0.122 1.00 0.22 C ATOM 1085 O SER A 67 5.929 -3.854 0.065 1.00 0.26 O ATOM 1086 CB SER A 67 6.115 -5.502 -2.345 1.00 0.22 C ATOM 1087 OG SER A 67 5.610 -6.351 -3.363 1.00 0.29 O ATOM 0 H SER A 67 3.776 -5.309 -0.853 1.00 0.17 H new ATOM 0 HA SER A 67 6.222 -6.983 -0.809 1.00 0.18 H new ATOM 0 HB2 SER A 67 5.723 -4.494 -2.480 1.00 0.22 H new ATOM 0 HB3 SER A 67 7.200 -5.436 -2.427 1.00 0.22 H new ATOM 0 HG SER A 67 6.352 -6.685 -3.909 1.00 0.29 H new ATOM 1093 N ASP A 68 6.901 -5.589 1.106 1.00 0.26 N ATOM 1094 CA ASP A 68 7.355 -4.800 2.236 1.00 0.34 C ATOM 1095 C ASP A 68 8.728 -4.221 1.964 1.00 0.29 C ATOM 1096 O ASP A 68 9.714 -4.954 1.900 1.00 0.34 O ATOM 1097 CB ASP A 68 7.417 -5.645 3.515 1.00 0.46 C ATOM 1098 CG ASP A 68 6.055 -6.024 4.057 1.00 1.12 C ATOM 1099 OD1 ASP A 68 5.373 -5.140 4.620 1.00 1.12 O ATOM 1100 OD2 ASP A 68 5.677 -7.218 3.962 1.00 2.01 O ATOM 0 H ASP A 68 7.169 -6.572 1.145 1.00 0.26 H new ATOM 0 HA ASP A 68 6.636 -3.993 2.377 1.00 0.34 H new ATOM 0 HB2 ASP A 68 7.984 -6.554 3.313 1.00 0.46 H new ATOM 0 HB3 ASP A 68 7.962 -5.092 4.280 1.00 0.46 H new ATOM 1105 N CYS A 69 8.796 -2.918 1.776 1.00 0.28 N ATOM 1106 CA CYS A 69 10.077 -2.251 1.670 1.00 0.26 C ATOM 1107 C CYS A 69 10.520 -1.798 3.049 1.00 0.30 C ATOM 1108 O CYS A 69 9.848 -0.987 3.685 1.00 0.35 O ATOM 1109 CB CYS A 69 9.972 -1.050 0.732 1.00 0.25 C ATOM 1110 SG CYS A 69 9.561 -1.486 -0.986 1.00 0.62 S ATOM 0 H CYS A 69 7.985 -2.304 1.694 1.00 0.28 H new ATOM 0 HA CYS A 69 10.812 -2.945 1.261 1.00 0.26 H new ATOM 0 HB2 CYS A 69 9.212 -0.369 1.115 1.00 0.25 H new ATOM 0 HB3 CYS A 69 10.919 -0.510 0.742 1.00 0.25 H new ATOM 1115 N ASN A 70 11.642 -2.323 3.510 1.00 0.35 N ATOM 1116 CA ASN A 70 12.146 -1.998 4.838 1.00 0.42 C ATOM 1117 C ASN A 70 13.581 -1.516 4.740 1.00 0.44 C ATOM 1118 O ASN A 70 14.403 -2.144 4.074 1.00 0.49 O ATOM 1119 CB ASN A 70 12.090 -3.221 5.768 1.00 0.51 C ATOM 1120 CG ASN A 70 10.725 -3.898 5.845 1.00 0.97 C ATOM 1121 OD1 ASN A 70 9.653 -3.130 5.721 1.00 1.93 O flip ATOM 1122 ND2 ASN A 70 10.639 -5.111 6.026 1.00 1.08 N flip ATOM 0 H ASN A 70 12.223 -2.977 2.986 1.00 0.35 H new ATOM 0 HA ASN A 70 11.514 -1.213 5.254 1.00 0.42 H new ATOM 0 HB2 ASN A 70 12.825 -3.952 5.430 1.00 0.51 H new ATOM 0 HB3 ASN A 70 12.385 -2.912 6.771 1.00 0.51 H new ATOM 0 HD21 ASN A 70 11.484 -5.674 6.117 1.00 1.08 H new ATOM 0 HD22 ASN A 70 9.722 -5.554 6.085 1.00 1.08 H new ATOM 1129 N VAL A 71 13.874 -0.400 5.388 1.00 0.47 N ATOM 1130 CA VAL A 71 15.217 0.155 5.378 1.00 0.51 C ATOM 1131 C VAL A 71 16.165 -0.751 6.150 1.00 0.56 C ATOM 1132 O VAL A 71 15.796 -1.349 7.162 1.00 0.60 O ATOM 1133 CB VAL A 71 15.240 1.593 5.954 1.00 0.54 C ATOM 1134 CG1 VAL A 71 15.083 1.601 7.467 1.00 0.90 C ATOM 1135 CG2 VAL A 71 16.508 2.322 5.535 1.00 0.82 C ATOM 0 H VAL A 71 13.198 0.140 5.928 1.00 0.47 H new ATOM 0 HA VAL A 71 15.552 0.212 4.342 1.00 0.51 H new ATOM 0 HB VAL A 71 14.384 2.124 5.538 1.00 0.54 H new ATOM 0 HG11 VAL A 71 15.105 2.629 7.830 1.00 0.90 H new ATOM 0 HG12 VAL A 71 14.132 1.141 7.737 1.00 0.90 H new ATOM 0 HG13 VAL A 71 15.899 1.039 7.920 1.00 0.90 H new ATOM 0 HG21 VAL A 71 16.503 3.330 5.951 1.00 0.82 H new ATOM 0 HG22 VAL A 71 17.378 1.781 5.906 1.00 0.82 H new ATOM 0 HG23 VAL A 71 16.553 2.379 4.447 1.00 0.82 H new ATOM 1145 N THR A 72 17.372 -0.880 5.640 1.00 0.58 N ATOM 1146 CA THR A 72 18.354 -1.752 6.241 1.00 0.64 C ATOM 1147 C THR A 72 19.396 -0.942 7.007 1.00 0.75 C ATOM 1148 O THR A 72 19.087 0.102 7.582 1.00 0.93 O ATOM 1149 CB THR A 72 19.042 -2.619 5.168 1.00 0.71 C ATOM 1150 OG1 THR A 72 19.553 -1.790 4.116 1.00 0.78 O ATOM 1151 CG2 THR A 72 18.073 -3.640 4.589 1.00 0.78 C ATOM 0 H THR A 72 17.696 -0.389 4.807 1.00 0.58 H new ATOM 0 HA THR A 72 17.838 -2.409 6.942 1.00 0.64 H new ATOM 0 HB THR A 72 19.866 -3.152 5.642 1.00 0.71 H new ATOM 0 HG1 THR A 72 18.807 -1.384 3.628 1.00 0.78 H new ATOM 0 HG21 THR A 72 18.583 -4.239 3.834 1.00 0.78 H new ATOM 0 HG22 THR A 72 17.711 -4.291 5.385 1.00 0.78 H new ATOM 0 HG23 THR A 72 17.229 -3.123 4.132 1.00 0.78 H new ATOM 1159 N SER A 73 20.630 -1.416 6.980 1.00 0.86 N ATOM 1160 CA SER A 73 21.703 -0.820 7.756 1.00 1.02 C ATOM 1161 C SER A 73 22.306 0.370 7.013 1.00 0.90 C ATOM 1162 O SER A 73 23.095 1.134 7.571 1.00 0.99 O ATOM 1163 CB SER A 73 22.767 -1.870 8.039 1.00 1.33 C ATOM 1164 OG SER A 73 22.173 -3.078 8.493 1.00 1.87 O ATOM 0 H SER A 73 20.915 -2.221 6.422 1.00 0.86 H new ATOM 0 HA SER A 73 21.301 -0.456 8.701 1.00 1.02 H new ATOM 0 HB2 SER A 73 23.346 -2.061 7.135 1.00 1.33 H new ATOM 0 HB3 SER A 73 23.463 -1.496 8.790 1.00 1.33 H new ATOM 0 HG SER A 73 22.873 -3.741 8.668 1.00 1.87 H new ATOM 1170 N ARG A 74 21.935 0.513 5.749 1.00 0.81 N ATOM 1171 CA ARG A 74 22.376 1.641 4.951 1.00 0.76 C ATOM 1172 C ARG A 74 21.252 2.660 4.801 1.00 0.68 C ATOM 1173 O ARG A 74 20.098 2.293 4.575 1.00 0.63 O ATOM 1174 CB ARG A 74 22.865 1.175 3.579 1.00 0.88 C ATOM 1175 CG ARG A 74 24.254 0.556 3.611 1.00 1.40 C ATOM 1176 CD ARG A 74 24.647 -0.020 2.260 1.00 1.55 C ATOM 1177 NE ARG A 74 23.866 -1.208 1.923 1.00 2.35 N ATOM 1178 CZ ARG A 74 23.994 -1.887 0.783 1.00 2.74 C ATOM 1179 NH1 ARG A 74 24.878 -1.505 -0.131 1.00 2.41 N ATOM 1180 NH2 ARG A 74 23.244 -2.959 0.558 1.00 3.76 N ATOM 0 H ARG A 74 21.328 -0.141 5.255 1.00 0.81 H new ATOM 0 HA ARG A 74 23.209 2.119 5.465 1.00 0.76 H new ATOM 0 HB2 ARG A 74 22.160 0.447 3.178 1.00 0.88 H new ATOM 0 HB3 ARG A 74 22.869 2.024 2.895 1.00 0.88 H new ATOM 0 HG2 ARG A 74 24.981 1.311 3.910 1.00 1.40 H new ATOM 0 HG3 ARG A 74 24.284 -0.231 4.364 1.00 1.40 H new ATOM 0 HD2 ARG A 74 24.506 0.737 1.488 1.00 1.55 H new ATOM 0 HD3 ARG A 74 25.707 -0.273 2.269 1.00 1.55 H new ATOM 0 HE ARG A 74 23.180 -1.538 2.602 1.00 2.35 H new ATOM 0 HH11 ARG A 74 25.464 -0.687 0.037 1.00 2.41 H new ATOM 0 HH12 ARG A 74 24.971 -2.029 -1.001 1.00 2.41 H new ATOM 0 HH21 ARG A 74 22.568 -3.265 1.258 1.00 3.76 H new ATOM 0 HH22 ARG A 74 23.344 -3.477 -0.315 1.00 3.76 H new ATOM 1194 N PRO A 75 21.580 3.949 4.953 1.00 0.74 N ATOM 1195 CA PRO A 75 20.609 5.042 4.836 1.00 0.74 C ATOM 1196 C PRO A 75 19.872 5.041 3.500 1.00 0.65 C ATOM 1197 O PRO A 75 20.497 5.049 2.435 1.00 0.70 O ATOM 1198 CB PRO A 75 21.465 6.300 4.964 1.00 0.92 C ATOM 1199 CG PRO A 75 22.679 5.863 5.705 1.00 1.05 C ATOM 1200 CD PRO A 75 22.928 4.447 5.273 1.00 0.92 C ATOM 0 HA PRO A 75 19.826 4.959 5.590 1.00 0.74 H new ATOM 0 HB2 PRO A 75 21.724 6.703 3.985 1.00 0.92 H new ATOM 0 HB3 PRO A 75 20.935 7.086 5.502 1.00 0.92 H new ATOM 0 HG2 PRO A 75 23.532 6.500 5.470 1.00 1.05 H new ATOM 0 HG3 PRO A 75 22.523 5.923 6.782 1.00 1.05 H new ATOM 0 HD2 PRO A 75 23.590 4.401 4.408 1.00 0.92 H new ATOM 0 HD3 PRO A 75 23.396 3.861 6.064 1.00 0.92 H new ATOM 1208 N CYS A 76 18.542 5.031 3.581 1.00 0.57 N ATOM 1209 CA CYS A 76 17.667 5.027 2.405 1.00 0.52 C ATOM 1210 C CYS A 76 18.011 3.866 1.458 1.00 0.51 C ATOM 1211 O CYS A 76 17.880 3.966 0.235 1.00 0.55 O ATOM 1212 CB CYS A 76 17.737 6.385 1.686 1.00 0.58 C ATOM 1213 SG CYS A 76 16.501 6.606 0.361 1.00 1.55 S ATOM 0 H CYS A 76 18.037 5.025 4.467 1.00 0.57 H new ATOM 0 HA CYS A 76 16.641 4.873 2.738 1.00 0.52 H new ATOM 0 HB2 CYS A 76 17.607 7.178 2.422 1.00 0.58 H new ATOM 0 HB3 CYS A 76 18.733 6.505 1.260 1.00 0.58 H new ATOM 1218 N LYS A 77 18.448 2.757 2.040 1.00 0.50 N ATOM 1219 CA LYS A 77 18.669 1.529 1.295 1.00 0.50 C ATOM 1220 C LYS A 77 17.857 0.408 1.920 1.00 0.47 C ATOM 1221 O LYS A 77 17.973 0.128 3.115 1.00 0.51 O ATOM 1222 CB LYS A 77 20.158 1.184 1.248 1.00 0.60 C ATOM 1223 CG LYS A 77 20.919 2.033 0.244 1.00 1.30 C ATOM 1224 CD LYS A 77 20.544 1.652 -1.180 1.00 1.57 C ATOM 1225 CE LYS A 77 20.817 2.777 -2.164 1.00 2.24 C ATOM 1226 NZ LYS A 77 19.872 3.913 -1.982 1.00 2.60 N ATOM 0 H LYS A 77 18.658 2.685 3.036 1.00 0.50 H new ATOM 0 HA LYS A 77 18.338 1.666 0.265 1.00 0.50 H new ATOM 0 HB2 LYS A 77 20.591 1.322 2.239 1.00 0.60 H new ATOM 0 HB3 LYS A 77 20.276 0.131 0.992 1.00 0.60 H new ATOM 0 HG2 LYS A 77 20.700 3.087 0.413 1.00 1.30 H new ATOM 0 HG3 LYS A 77 21.991 1.903 0.390 1.00 1.30 H new ATOM 0 HD2 LYS A 77 21.106 0.767 -1.478 1.00 1.57 H new ATOM 0 HD3 LYS A 77 19.487 1.387 -1.217 1.00 1.57 H new ATOM 0 HE2 LYS A 77 21.840 3.131 -2.036 1.00 2.24 H new ATOM 0 HE3 LYS A 77 20.736 2.397 -3.182 1.00 2.24 H new ATOM 0 HZ1 LYS A 77 19.278 4.009 -2.830 1.00 2.60 H new ATOM 0 HZ2 LYS A 77 19.268 3.733 -1.154 1.00 2.60 H new ATOM 0 HZ3 LYS A 77 20.409 4.791 -1.834 1.00 2.60 H new ATOM 1240 N TYR A 78 17.026 -0.223 1.114 1.00 0.45 N ATOM 1241 CA TYR A 78 15.993 -1.103 1.630 1.00 0.47 C ATOM 1242 C TYR A 78 16.185 -2.543 1.199 1.00 0.52 C ATOM 1243 O TYR A 78 16.997 -2.854 0.323 1.00 0.59 O ATOM 1244 CB TYR A 78 14.626 -0.619 1.151 1.00 0.48 C ATOM 1245 CG TYR A 78 14.449 0.866 1.291 1.00 0.65 C ATOM 1246 CD1 TYR A 78 13.970 1.424 2.465 1.00 0.91 C ATOM 1247 CD2 TYR A 78 14.782 1.714 0.246 1.00 0.74 C ATOM 1248 CE1 TYR A 78 13.829 2.788 2.593 1.00 1.15 C ATOM 1249 CE2 TYR A 78 14.642 3.073 0.365 1.00 0.99 C ATOM 1250 CZ TYR A 78 14.167 3.605 1.537 1.00 1.17 C ATOM 1251 OH TYR A 78 14.036 4.956 1.652 1.00 1.44 O ATOM 0 H TYR A 78 17.045 -0.143 0.097 1.00 0.45 H new ATOM 0 HA TYR A 78 16.058 -1.072 2.718 1.00 0.47 H new ATOM 0 HB2 TYR A 78 14.493 -0.899 0.106 1.00 0.48 H new ATOM 0 HB3 TYR A 78 13.847 -1.128 1.719 1.00 0.48 H new ATOM 0 HD1 TYR A 78 13.704 0.781 3.291 1.00 0.91 H new ATOM 0 HD2 TYR A 78 15.158 1.298 -0.677 1.00 0.74 H new ATOM 0 HE1 TYR A 78 13.457 3.213 3.513 1.00 1.15 H new ATOM 0 HE2 TYR A 78 14.904 3.720 -0.459 1.00 0.99 H new ATOM 0 HH TYR A 78 14.813 5.396 1.247 1.00 1.44 H new ATOM 1261 N LYS A 79 15.421 -3.407 1.837 1.00 0.53 N ATOM 1262 CA LYS A 79 15.321 -4.801 1.459 1.00 0.58 C ATOM 1263 C LYS A 79 13.900 -5.072 0.996 1.00 0.46 C ATOM 1264 O LYS A 79 12.947 -4.791 1.727 1.00 0.47 O ATOM 1265 CB LYS A 79 15.650 -5.708 2.648 1.00 0.78 C ATOM 1266 CG LYS A 79 15.548 -7.190 2.325 1.00 1.39 C ATOM 1267 CD LYS A 79 15.361 -8.032 3.579 1.00 2.02 C ATOM 1268 CE LYS A 79 16.510 -7.862 4.559 1.00 2.63 C ATOM 1269 NZ LYS A 79 16.303 -8.677 5.785 1.00 3.52 N ATOM 0 H LYS A 79 14.846 -3.157 2.642 1.00 0.53 H new ATOM 0 HA LYS A 79 16.032 -5.011 0.660 1.00 0.58 H new ATOM 0 HB2 LYS A 79 16.660 -5.488 2.994 1.00 0.78 H new ATOM 0 HB3 LYS A 79 14.973 -5.476 3.470 1.00 0.78 H new ATOM 0 HG2 LYS A 79 14.711 -7.357 1.647 1.00 1.39 H new ATOM 0 HG3 LYS A 79 16.450 -7.511 1.803 1.00 1.39 H new ATOM 0 HD2 LYS A 79 14.426 -7.754 4.066 1.00 2.02 H new ATOM 0 HD3 LYS A 79 15.275 -9.082 3.300 1.00 2.02 H new ATOM 0 HE2 LYS A 79 17.445 -8.154 4.080 1.00 2.63 H new ATOM 0 HE3 LYS A 79 16.606 -6.811 4.831 1.00 2.63 H new ATOM 0 HZ1 LYS A 79 17.104 -8.539 6.433 1.00 3.52 H new ATOM 0 HZ2 LYS A 79 15.423 -8.381 6.254 1.00 3.52 H new ATOM 0 HZ3 LYS A 79 16.236 -9.682 5.527 1.00 3.52 H new ATOM 1283 N LEU A 80 13.751 -5.579 -0.213 1.00 0.45 N ATOM 1284 CA LEU A 80 12.431 -5.907 -0.720 1.00 0.41 C ATOM 1285 C LEU A 80 11.970 -7.234 -0.129 1.00 0.42 C ATOM 1286 O LEU A 80 12.756 -8.174 0.023 1.00 0.49 O ATOM 1287 CB LEU A 80 12.432 -5.949 -2.256 1.00 0.50 C ATOM 1288 CG LEU A 80 11.053 -6.030 -2.930 1.00 0.58 C ATOM 1289 CD1 LEU A 80 10.555 -7.464 -3.000 1.00 1.34 C ATOM 1290 CD2 LEU A 80 10.050 -5.154 -2.199 1.00 0.74 C ATOM 0 H LEU A 80 14.518 -5.771 -0.857 1.00 0.45 H new ATOM 0 HA LEU A 80 11.729 -5.130 -0.417 1.00 0.41 H new ATOM 0 HB2 LEU A 80 12.942 -5.058 -2.623 1.00 0.50 H new ATOM 0 HB3 LEU A 80 13.021 -6.808 -2.576 1.00 0.50 H new ATOM 0 HG LEU A 80 11.159 -5.663 -3.951 1.00 0.58 H new ATOM 0 HD11 LEU A 80 9.578 -7.487 -3.482 1.00 1.34 H new ATOM 0 HD12 LEU A 80 11.258 -8.066 -3.576 1.00 1.34 H new ATOM 0 HD13 LEU A 80 10.472 -7.870 -1.992 1.00 1.34 H new ATOM 0 HD21 LEU A 80 9.080 -5.224 -2.690 1.00 0.74 H new ATOM 0 HD22 LEU A 80 9.959 -5.490 -1.166 1.00 0.74 H new ATOM 0 HD23 LEU A 80 10.391 -4.119 -2.215 1.00 0.74 H new ATOM 1302 N LYS A 81 10.698 -7.293 0.203 1.00 0.40 N ATOM 1303 CA LYS A 81 10.113 -8.465 0.827 1.00 0.44 C ATOM 1304 C LYS A 81 8.771 -8.784 0.188 1.00 0.38 C ATOM 1305 O LYS A 81 7.820 -8.014 0.305 1.00 0.36 O ATOM 1306 CB LYS A 81 9.925 -8.229 2.326 1.00 0.49 C ATOM 1307 CG LYS A 81 9.132 -9.325 3.019 1.00 0.60 C ATOM 1308 CD LYS A 81 8.556 -8.833 4.334 1.00 0.71 C ATOM 1309 CE LYS A 81 7.483 -9.771 4.855 1.00 1.18 C ATOM 1310 NZ LYS A 81 6.689 -9.149 5.947 1.00 1.87 N ATOM 0 H LYS A 81 10.038 -6.530 0.049 1.00 0.40 H new ATOM 0 HA LYS A 81 10.788 -9.308 0.681 1.00 0.44 H new ATOM 0 HB2 LYS A 81 10.904 -8.146 2.798 1.00 0.49 H new ATOM 0 HB3 LYS A 81 9.418 -7.276 2.475 1.00 0.49 H new ATOM 0 HG2 LYS A 81 8.325 -9.662 2.368 1.00 0.60 H new ATOM 0 HG3 LYS A 81 9.776 -10.186 3.200 1.00 0.60 H new ATOM 0 HD2 LYS A 81 9.354 -8.745 5.072 1.00 0.71 H new ATOM 0 HD3 LYS A 81 8.136 -7.837 4.198 1.00 0.71 H new ATOM 0 HE2 LYS A 81 6.819 -10.053 4.038 1.00 1.18 H new ATOM 0 HE3 LYS A 81 7.947 -10.687 5.220 1.00 1.18 H new ATOM 0 HZ1 LYS A 81 6.023 -9.848 6.334 1.00 1.87 H new ATOM 0 HZ2 LYS A 81 7.329 -8.826 6.701 1.00 1.87 H new ATOM 0 HZ3 LYS A 81 6.159 -8.337 5.571 1.00 1.87 H new ATOM 1324 N LYS A 82 8.704 -9.904 -0.509 1.00 0.40 N ATOM 1325 CA LYS A 82 7.463 -10.339 -1.119 1.00 0.37 C ATOM 1326 C LYS A 82 6.651 -11.152 -0.122 1.00 0.36 C ATOM 1327 O LYS A 82 7.112 -12.182 0.376 1.00 0.46 O ATOM 1328 CB LYS A 82 7.764 -11.156 -2.372 1.00 0.47 C ATOM 1329 CG LYS A 82 8.714 -10.442 -3.313 1.00 0.54 C ATOM 1330 CD LYS A 82 9.046 -11.280 -4.530 1.00 0.76 C ATOM 1331 CE LYS A 82 10.105 -10.606 -5.386 1.00 0.90 C ATOM 1332 NZ LYS A 82 10.418 -11.391 -6.604 1.00 1.10 N ATOM 0 H LYS A 82 9.495 -10.528 -0.666 1.00 0.40 H new ATOM 0 HA LYS A 82 6.875 -9.468 -1.408 1.00 0.37 H new ATOM 0 HB2 LYS A 82 8.195 -12.114 -2.083 1.00 0.47 H new ATOM 0 HB3 LYS A 82 6.832 -11.371 -2.895 1.00 0.47 H new ATOM 0 HG2 LYS A 82 8.268 -9.500 -3.632 1.00 0.54 H new ATOM 0 HG3 LYS A 82 9.633 -10.195 -2.781 1.00 0.54 H new ATOM 0 HD2 LYS A 82 9.400 -12.261 -4.214 1.00 0.76 H new ATOM 0 HD3 LYS A 82 8.145 -11.441 -5.121 1.00 0.76 H new ATOM 0 HE2 LYS A 82 9.760 -9.613 -5.674 1.00 0.90 H new ATOM 0 HE3 LYS A 82 11.013 -10.470 -4.799 1.00 0.90 H new ATOM 0 HZ1 LYS A 82 11.145 -10.896 -7.159 1.00 1.10 H new ATOM 0 HZ2 LYS A 82 10.772 -12.330 -6.330 1.00 1.10 H new ATOM 0 HZ3 LYS A 82 9.558 -11.499 -7.178 1.00 1.10 H new ATOM 1346 N SER A 83 5.446 -10.694 0.164 1.00 0.31 N ATOM 1347 CA SER A 83 4.610 -11.328 1.162 1.00 0.36 C ATOM 1348 C SER A 83 3.166 -11.430 0.677 1.00 0.31 C ATOM 1349 O SER A 83 2.818 -10.908 -0.380 1.00 0.50 O ATOM 1350 CB SER A 83 4.678 -10.523 2.465 1.00 0.46 C ATOM 1351 OG SER A 83 4.445 -9.144 2.221 1.00 1.12 O ATOM 0 H SER A 83 5.024 -9.881 -0.284 1.00 0.31 H new ATOM 0 HA SER A 83 4.976 -12.339 1.339 1.00 0.36 H new ATOM 0 HB2 SER A 83 3.938 -10.902 3.170 1.00 0.46 H new ATOM 0 HB3 SER A 83 5.656 -10.654 2.928 1.00 0.46 H new ATOM 0 HG SER A 83 4.923 -8.608 2.888 1.00 1.12 H new ATOM 1357 N THR A 84 2.350 -12.151 1.429 1.00 0.25 N ATOM 1358 CA THR A 84 0.929 -12.268 1.146 1.00 0.23 C ATOM 1359 C THR A 84 0.151 -12.114 2.446 1.00 0.22 C ATOM 1360 O THR A 84 0.378 -12.864 3.398 1.00 0.29 O ATOM 1361 CB THR A 84 0.600 -13.635 0.509 1.00 0.27 C ATOM 1362 OG1 THR A 84 1.685 -14.057 -0.329 1.00 0.35 O ATOM 1363 CG2 THR A 84 -0.673 -13.559 -0.326 1.00 0.27 C ATOM 0 H THR A 84 2.654 -12.671 2.252 1.00 0.25 H new ATOM 0 HA THR A 84 0.648 -11.486 0.440 1.00 0.23 H new ATOM 0 HB THR A 84 0.449 -14.353 1.315 1.00 0.27 H new ATOM 0 HG1 THR A 84 1.471 -14.926 -0.729 1.00 0.35 H new ATOM 0 HG21 THR A 84 -0.881 -14.536 -0.763 1.00 0.27 H new ATOM 0 HG22 THR A 84 -1.507 -13.261 0.309 1.00 0.27 H new ATOM 0 HG23 THR A 84 -0.543 -12.826 -1.122 1.00 0.27 H new ATOM 1371 N ASN A 85 -0.726 -11.122 2.504 1.00 0.18 N ATOM 1372 CA ASN A 85 -1.533 -10.891 3.694 1.00 0.18 C ATOM 1373 C ASN A 85 -2.696 -9.972 3.372 1.00 0.17 C ATOM 1374 O ASN A 85 -2.696 -9.286 2.348 1.00 0.18 O ATOM 1375 CB ASN A 85 -0.708 -10.265 4.817 1.00 0.21 C ATOM 1376 CG ASN A 85 -1.196 -10.667 6.197 1.00 0.30 C ATOM 1377 OD1 ASN A 85 -2.355 -11.045 6.382 1.00 0.61 O ATOM 1378 ND2 ASN A 85 -0.320 -10.569 7.182 1.00 0.37 N ATOM 0 H ASN A 85 -0.897 -10.465 1.743 1.00 0.18 H new ATOM 0 HA ASN A 85 -1.903 -11.861 4.027 1.00 0.18 H new ATOM 0 HB2 ASN A 85 0.335 -10.561 4.704 1.00 0.21 H new ATOM 0 HB3 ASN A 85 -0.743 -9.179 4.726 1.00 0.21 H new ATOM 0 HD21 ASN A 85 -0.594 -10.810 8.134 1.00 0.37 H new ATOM 0 HD22 ASN A 85 0.630 -10.252 6.990 1.00 0.37 H new ATOM 1385 N LYS A 86 -3.692 -9.986 4.238 1.00 0.19 N ATOM 1386 CA LYS A 86 -4.807 -9.071 4.148 1.00 0.19 C ATOM 1387 C LYS A 86 -4.374 -7.717 4.680 1.00 0.18 C ATOM 1388 O LYS A 86 -3.248 -7.573 5.150 1.00 0.21 O ATOM 1389 CB LYS A 86 -5.977 -9.619 4.960 1.00 0.24 C ATOM 1390 CG LYS A 86 -6.206 -11.098 4.725 1.00 0.37 C ATOM 1391 CD LYS A 86 -7.345 -11.636 5.557 1.00 0.33 C ATOM 1392 CE LYS A 86 -7.418 -13.150 5.459 1.00 0.55 C ATOM 1393 NZ LYS A 86 -8.360 -13.729 6.447 1.00 1.17 N ATOM 0 H LYS A 86 -3.748 -10.634 5.024 1.00 0.19 H new ATOM 0 HA LYS A 86 -5.125 -8.961 3.111 1.00 0.19 H new ATOM 0 HB2 LYS A 86 -5.791 -9.448 6.020 1.00 0.24 H new ATOM 0 HB3 LYS A 86 -6.882 -9.069 4.703 1.00 0.24 H new ATOM 0 HG2 LYS A 86 -6.417 -11.268 3.669 1.00 0.37 H new ATOM 0 HG3 LYS A 86 -5.295 -11.647 4.961 1.00 0.37 H new ATOM 0 HD2 LYS A 86 -7.212 -11.341 6.598 1.00 0.33 H new ATOM 0 HD3 LYS A 86 -8.285 -11.200 5.220 1.00 0.33 H new ATOM 0 HE2 LYS A 86 -7.729 -13.433 4.453 1.00 0.55 H new ATOM 0 HE3 LYS A 86 -6.425 -13.571 5.616 1.00 0.55 H new ATOM 0 HZ1 LYS A 86 -8.378 -14.764 6.344 1.00 1.17 H new ATOM 0 HZ2 LYS A 86 -8.050 -13.482 7.408 1.00 1.17 H new ATOM 0 HZ3 LYS A 86 -9.314 -13.348 6.282 1.00 1.17 H new ATOM 1407 N PHE A 87 -5.237 -6.728 4.590 1.00 0.17 N ATOM 1408 CA PHE A 87 -4.933 -5.417 5.144 1.00 0.18 C ATOM 1409 C PHE A 87 -6.207 -4.626 5.394 1.00 0.18 C ATOM 1410 O PHE A 87 -7.195 -4.784 4.681 1.00 0.19 O ATOM 1411 CB PHE A 87 -3.978 -4.644 4.225 1.00 0.20 C ATOM 1412 CG PHE A 87 -4.417 -4.569 2.787 1.00 0.18 C ATOM 1413 CD1 PHE A 87 -5.309 -3.594 2.373 1.00 0.22 C ATOM 1414 CD2 PHE A 87 -3.946 -5.475 1.854 1.00 0.27 C ATOM 1415 CE1 PHE A 87 -5.718 -3.525 1.057 1.00 0.22 C ATOM 1416 CE2 PHE A 87 -4.354 -5.412 0.536 1.00 0.29 C ATOM 1417 CZ PHE A 87 -5.212 -4.426 0.129 1.00 0.20 C ATOM 0 H PHE A 87 -6.151 -6.801 4.142 1.00 0.17 H new ATOM 0 HA PHE A 87 -4.434 -5.562 6.102 1.00 0.18 H new ATOM 0 HB2 PHE A 87 -3.865 -3.631 4.610 1.00 0.20 H new ATOM 0 HB3 PHE A 87 -2.995 -5.113 4.267 1.00 0.20 H new ATOM 0 HD1 PHE A 87 -5.689 -2.880 3.088 1.00 0.22 H new ATOM 0 HD2 PHE A 87 -3.250 -6.242 2.160 1.00 0.27 H new ATOM 0 HE1 PHE A 87 -6.429 -2.773 0.750 1.00 0.22 H new ATOM 0 HE2 PHE A 87 -3.996 -6.142 -0.175 1.00 0.29 H new ATOM 0 HZ PHE A 87 -5.495 -4.349 -0.911 1.00 0.20 H new ATOM 1427 N CYS A 88 -6.196 -3.806 6.433 1.00 0.20 N ATOM 1428 CA CYS A 88 -7.345 -2.980 6.745 1.00 0.20 C ATOM 1429 C CYS A 88 -7.149 -1.610 6.119 1.00 0.20 C ATOM 1430 O CYS A 88 -6.198 -0.900 6.450 1.00 0.23 O ATOM 1431 CB CYS A 88 -7.534 -2.839 8.263 1.00 0.25 C ATOM 1432 SG CYS A 88 -9.267 -2.565 8.768 1.00 0.49 S ATOM 0 H CYS A 88 -5.407 -3.697 7.070 1.00 0.20 H new ATOM 0 HA CYS A 88 -8.239 -3.454 6.341 1.00 0.20 H new ATOM 0 HB2 CYS A 88 -7.161 -3.739 8.751 1.00 0.25 H new ATOM 0 HB3 CYS A 88 -6.926 -2.008 8.620 1.00 0.25 H new ATOM 1437 N VAL A 89 -8.019 -1.260 5.194 1.00 0.21 N ATOM 1438 CA VAL A 89 -7.973 0.047 4.568 1.00 0.22 C ATOM 1439 C VAL A 89 -9.054 0.938 5.143 1.00 0.24 C ATOM 1440 O VAL A 89 -10.141 0.468 5.483 1.00 0.24 O ATOM 1441 CB VAL A 89 -8.134 -0.033 3.032 1.00 0.21 C ATOM 1442 CG1 VAL A 89 -6.849 -0.520 2.385 1.00 0.22 C ATOM 1443 CG2 VAL A 89 -9.298 -0.942 2.644 1.00 0.20 C ATOM 0 H VAL A 89 -8.769 -1.864 4.858 1.00 0.21 H new ATOM 0 HA VAL A 89 -6.990 0.469 4.778 1.00 0.22 H new ATOM 0 HB VAL A 89 -8.352 0.971 2.668 1.00 0.21 H new ATOM 0 HG11 VAL A 89 -6.982 -0.570 1.304 1.00 0.22 H new ATOM 0 HG12 VAL A 89 -6.039 0.171 2.620 1.00 0.22 H new ATOM 0 HG13 VAL A 89 -6.603 -1.511 2.766 1.00 0.22 H new ATOM 0 HG21 VAL A 89 -9.385 -0.978 1.558 1.00 0.20 H new ATOM 0 HG22 VAL A 89 -9.118 -1.947 3.027 1.00 0.20 H new ATOM 0 HG23 VAL A 89 -10.222 -0.551 3.070 1.00 0.20 H new ATOM 1453 N THR A 90 -8.751 2.214 5.294 1.00 0.26 N ATOM 1454 CA THR A 90 -9.757 3.161 5.708 1.00 0.28 C ATOM 1455 C THR A 90 -10.565 3.581 4.487 1.00 0.25 C ATOM 1456 O THR A 90 -10.070 4.307 3.617 1.00 0.25 O ATOM 1457 CB THR A 90 -9.143 4.403 6.379 1.00 0.33 C ATOM 1458 OG1 THR A 90 -8.326 4.009 7.492 1.00 0.35 O ATOM 1459 CG2 THR A 90 -10.237 5.349 6.856 1.00 0.40 C ATOM 0 H THR A 90 -7.825 2.611 5.137 1.00 0.26 H new ATOM 0 HA THR A 90 -10.397 2.679 6.447 1.00 0.28 H new ATOM 0 HB THR A 90 -8.526 4.921 5.645 1.00 0.33 H new ATOM 0 HG1 THR A 90 -8.892 3.624 8.193 1.00 0.35 H new ATOM 0 HG21 THR A 90 -9.784 6.221 7.328 1.00 0.40 H new ATOM 0 HG22 THR A 90 -10.838 5.668 6.005 1.00 0.40 H new ATOM 0 HG23 THR A 90 -10.873 4.836 7.577 1.00 0.40 H new ATOM 1467 N CYS A 91 -11.791 3.103 4.418 1.00 0.23 N ATOM 1468 CA CYS A 91 -12.641 3.337 3.270 1.00 0.22 C ATOM 1469 C CYS A 91 -13.466 4.594 3.458 1.00 0.25 C ATOM 1470 O CYS A 91 -14.193 4.732 4.439 1.00 0.29 O ATOM 1471 CB CYS A 91 -13.549 2.133 3.048 1.00 0.20 C ATOM 1472 SG CYS A 91 -12.643 0.599 2.679 1.00 0.20 S ATOM 0 H CYS A 91 -12.224 2.544 5.153 1.00 0.23 H new ATOM 0 HA CYS A 91 -12.011 3.476 2.391 1.00 0.22 H new ATOM 0 HB2 CYS A 91 -14.160 1.980 3.938 1.00 0.20 H new ATOM 0 HB3 CYS A 91 -14.231 2.349 2.226 1.00 0.20 H new ATOM 1477 N GLU A 92 -13.335 5.511 2.520 1.00 0.24 N ATOM 1478 CA GLU A 92 -14.051 6.767 2.573 1.00 0.29 C ATOM 1479 C GLU A 92 -14.535 7.126 1.176 1.00 0.27 C ATOM 1480 O GLU A 92 -13.734 7.215 0.245 1.00 0.27 O ATOM 1481 CB GLU A 92 -13.127 7.854 3.113 1.00 0.38 C ATOM 1482 CG GLU A 92 -13.833 8.949 3.889 1.00 0.48 C ATOM 1483 CD GLU A 92 -12.854 9.886 4.563 1.00 0.56 C ATOM 1484 OE1 GLU A 92 -12.183 9.459 5.530 1.00 0.76 O ATOM 1485 OE2 GLU A 92 -12.742 11.051 4.131 1.00 0.76 O ATOM 0 H GLU A 92 -12.732 5.406 1.704 1.00 0.24 H new ATOM 0 HA GLU A 92 -14.913 6.678 3.235 1.00 0.29 H new ATOM 0 HB2 GLU A 92 -12.381 7.391 3.759 1.00 0.38 H new ATOM 0 HB3 GLU A 92 -12.591 8.305 2.278 1.00 0.38 H new ATOM 0 HG2 GLU A 92 -14.473 9.517 3.214 1.00 0.48 H new ATOM 0 HG3 GLU A 92 -14.482 8.500 4.641 1.00 0.48 H new ATOM 1492 N ASN A 93 -15.848 7.288 1.027 1.00 0.29 N ATOM 1493 CA ASN A 93 -16.454 7.606 -0.272 1.00 0.31 C ATOM 1494 C ASN A 93 -16.209 6.473 -1.267 1.00 0.28 C ATOM 1495 O ASN A 93 -16.062 6.708 -2.467 1.00 0.31 O ATOM 1496 CB ASN A 93 -15.899 8.922 -0.843 1.00 0.35 C ATOM 1497 CG ASN A 93 -16.381 10.164 -0.114 1.00 0.43 C ATOM 1498 OD1 ASN A 93 -16.588 10.063 1.190 1.00 0.69 O flip ATOM 1499 ND2 ASN A 93 -16.553 11.219 -0.723 1.00 0.65 N flip ATOM 0 H ASN A 93 -16.518 7.205 1.791 1.00 0.29 H new ATOM 0 HA ASN A 93 -17.526 7.724 -0.114 1.00 0.31 H new ATOM 0 HB2 ASN A 93 -14.810 8.891 -0.806 1.00 0.35 H new ATOM 0 HB3 ASN A 93 -16.180 8.998 -1.893 1.00 0.35 H new ATOM 0 HD21 ASN A 93 -16.384 11.261 -1.728 1.00 0.65 H new ATOM 0 HD22 ASN A 93 -16.865 12.052 -0.223 1.00 0.65 H new ATOM 1506 N GLN A 94 -16.182 5.244 -0.750 1.00 0.26 N ATOM 1507 CA GLN A 94 -15.956 4.038 -1.553 1.00 0.25 C ATOM 1508 C GLN A 94 -14.534 3.969 -2.090 1.00 0.22 C ATOM 1509 O GLN A 94 -14.272 3.297 -3.086 1.00 0.26 O ATOM 1510 CB GLN A 94 -16.955 3.938 -2.704 1.00 0.31 C ATOM 1511 CG GLN A 94 -18.365 3.637 -2.244 1.00 0.36 C ATOM 1512 CD GLN A 94 -19.315 3.361 -3.391 1.00 0.44 C ATOM 1513 OE1 GLN A 94 -20.515 3.606 -3.291 1.00 0.69 O ATOM 1514 NE2 GLN A 94 -18.786 2.846 -4.485 1.00 0.48 N ATOM 0 H GLN A 94 -16.317 5.054 0.243 1.00 0.26 H new ATOM 0 HA GLN A 94 -16.107 3.189 -0.886 1.00 0.25 H new ATOM 0 HB2 GLN A 94 -16.953 4.875 -3.261 1.00 0.31 H new ATOM 0 HB3 GLN A 94 -16.630 3.158 -3.392 1.00 0.31 H new ATOM 0 HG2 GLN A 94 -18.348 2.774 -1.578 1.00 0.36 H new ATOM 0 HG3 GLN A 94 -18.740 4.480 -1.664 1.00 0.36 H new ATOM 0 HE21 GLN A 94 -17.784 2.658 -4.527 1.00 0.48 H new ATOM 0 HE22 GLN A 94 -19.379 2.637 -5.288 1.00 0.48 H new ATOM 1523 N ALA A 95 -13.620 4.643 -1.420 1.00 0.20 N ATOM 1524 CA ALA A 95 -12.222 4.585 -1.794 1.00 0.19 C ATOM 1525 C ALA A 95 -11.336 4.512 -0.558 1.00 0.17 C ATOM 1526 O ALA A 95 -11.599 5.172 0.445 1.00 0.19 O ATOM 1527 CB ALA A 95 -11.853 5.793 -2.644 1.00 0.21 C ATOM 0 H ALA A 95 -13.821 5.236 -0.615 1.00 0.20 H new ATOM 0 HA ALA A 95 -12.060 3.682 -2.382 1.00 0.19 H new ATOM 0 HB1 ALA A 95 -10.800 5.737 -2.918 1.00 0.21 H new ATOM 0 HB2 ALA A 95 -12.463 5.802 -3.547 1.00 0.21 H new ATOM 0 HB3 ALA A 95 -12.032 6.706 -2.076 1.00 0.21 H new ATOM 1533 N PRO A 96 -10.302 3.670 -0.609 1.00 0.16 N ATOM 1534 CA PRO A 96 -9.302 3.571 0.452 1.00 0.17 C ATOM 1535 C PRO A 96 -8.433 4.822 0.499 1.00 0.19 C ATOM 1536 O PRO A 96 -7.578 5.026 -0.358 1.00 0.25 O ATOM 1537 CB PRO A 96 -8.467 2.341 0.060 1.00 0.19 C ATOM 1538 CG PRO A 96 -9.248 1.658 -1.014 1.00 0.17 C ATOM 1539 CD PRO A 96 -10.026 2.739 -1.699 1.00 0.17 C ATOM 0 HA PRO A 96 -9.749 3.479 1.442 1.00 0.17 H new ATOM 0 HB2 PRO A 96 -7.480 2.634 -0.298 1.00 0.19 H new ATOM 0 HB3 PRO A 96 -8.314 1.682 0.914 1.00 0.19 H new ATOM 0 HG2 PRO A 96 -8.587 1.147 -1.714 1.00 0.17 H new ATOM 0 HG3 PRO A 96 -9.913 0.903 -0.595 1.00 0.17 H new ATOM 0 HD2 PRO A 96 -9.452 3.208 -2.498 1.00 0.17 H new ATOM 0 HD3 PRO A 96 -10.943 2.357 -2.148 1.00 0.17 H new ATOM 1547 N VAL A 97 -8.679 5.675 1.482 1.00 0.20 N ATOM 1548 CA VAL A 97 -7.981 6.952 1.567 1.00 0.24 C ATOM 1549 C VAL A 97 -6.869 6.916 2.610 1.00 0.27 C ATOM 1550 O VAL A 97 -5.971 7.757 2.611 1.00 0.35 O ATOM 1551 CB VAL A 97 -8.956 8.103 1.893 1.00 0.29 C ATOM 1552 CG1 VAL A 97 -10.037 8.218 0.828 1.00 0.33 C ATOM 1553 CG2 VAL A 97 -9.584 7.903 3.258 1.00 0.35 C ATOM 0 H VAL A 97 -9.353 5.509 2.229 1.00 0.20 H new ATOM 0 HA VAL A 97 -7.535 7.132 0.589 1.00 0.24 H new ATOM 0 HB VAL A 97 -8.385 9.032 1.905 1.00 0.29 H new ATOM 0 HG11 VAL A 97 -10.711 9.036 1.081 1.00 0.33 H new ATOM 0 HG12 VAL A 97 -9.575 8.414 -0.140 1.00 0.33 H new ATOM 0 HG13 VAL A 97 -10.600 7.286 0.779 1.00 0.33 H new ATOM 0 HG21 VAL A 97 -10.268 8.725 3.468 1.00 0.35 H new ATOM 0 HG22 VAL A 97 -10.134 6.962 3.271 1.00 0.35 H new ATOM 0 HG23 VAL A 97 -8.803 7.878 4.018 1.00 0.35 H new ATOM 1563 N HIS A 98 -6.933 5.940 3.503 1.00 0.30 N ATOM 1564 CA HIS A 98 -5.919 5.786 4.536 1.00 0.35 C ATOM 1565 C HIS A 98 -5.584 4.316 4.704 1.00 0.31 C ATOM 1566 O HIS A 98 -6.407 3.449 4.410 1.00 0.31 O ATOM 1567 CB HIS A 98 -6.385 6.360 5.881 1.00 0.42 C ATOM 1568 CG HIS A 98 -6.751 7.814 5.846 1.00 0.57 C ATOM 1569 ND1 HIS A 98 -7.907 8.437 6.164 1.00 1.03 N flip ATOM 1570 CD2 HIS A 98 -5.890 8.806 5.425 1.00 0.75 C flip ATOM 1571 CE1 HIS A 98 -7.732 9.777 5.932 1.00 1.08 C flip ATOM 1572 NE2 HIS A 98 -6.505 9.972 5.488 1.00 0.82 N flip ATOM 0 H HIS A 98 -7.677 5.242 3.533 1.00 0.30 H new ATOM 0 HA HIS A 98 -5.035 6.341 4.221 1.00 0.35 H new ATOM 0 HB2 HIS A 98 -7.248 5.790 6.225 1.00 0.42 H new ATOM 0 HB3 HIS A 98 -5.594 6.216 6.617 1.00 0.42 H new ATOM 0 HD2 HIS A 98 -4.873 8.653 5.096 1.00 0.75 H new ATOM 0 HE1 HIS A 98 -8.475 10.545 6.087 1.00 1.08 H new ATOM 0 HE2 HIS A 98 -6.100 10.873 5.236 1.00 0.82 H new ATOM 1581 N PHE A 99 -4.384 4.039 5.180 1.00 0.31 N ATOM 1582 CA PHE A 99 -3.955 2.670 5.390 1.00 0.29 C ATOM 1583 C PHE A 99 -3.808 2.399 6.878 1.00 0.29 C ATOM 1584 O PHE A 99 -3.160 3.162 7.597 1.00 0.36 O ATOM 1585 CB PHE A 99 -2.638 2.406 4.663 1.00 0.31 C ATOM 1586 CG PHE A 99 -2.285 0.947 4.581 1.00 0.30 C ATOM 1587 CD1 PHE A 99 -2.958 0.111 3.704 1.00 0.29 C ATOM 1588 CD2 PHE A 99 -1.289 0.409 5.383 1.00 0.32 C ATOM 1589 CE1 PHE A 99 -2.646 -1.231 3.624 1.00 0.29 C ATOM 1590 CE2 PHE A 99 -0.973 -0.936 5.308 1.00 0.33 C ATOM 1591 CZ PHE A 99 -1.652 -1.757 4.428 1.00 0.31 C ATOM 0 H PHE A 99 -3.690 4.744 5.428 1.00 0.31 H new ATOM 0 HA PHE A 99 -4.709 1.996 4.983 1.00 0.29 H new ATOM 0 HB2 PHE A 99 -2.700 2.815 3.654 1.00 0.31 H new ATOM 0 HB3 PHE A 99 -1.836 2.938 5.174 1.00 0.31 H new ATOM 0 HD1 PHE A 99 -3.737 0.515 3.075 1.00 0.29 H new ATOM 0 HD2 PHE A 99 -0.755 1.046 6.073 1.00 0.32 H new ATOM 0 HE1 PHE A 99 -3.178 -1.869 2.934 1.00 0.29 H new ATOM 0 HE2 PHE A 99 -0.196 -1.344 5.937 1.00 0.33 H new ATOM 0 HZ PHE A 99 -1.407 -2.807 4.368 1.00 0.31 H new ATOM 1601 N VAL A 100 -4.426 1.322 7.335 1.00 0.28 N ATOM 1602 CA VAL A 100 -4.414 0.972 8.744 1.00 0.28 C ATOM 1603 C VAL A 100 -3.260 0.018 9.052 1.00 0.28 C ATOM 1604 O VAL A 100 -2.265 0.409 9.662 1.00 0.32 O ATOM 1605 CB VAL A 100 -5.758 0.336 9.161 1.00 0.27 C ATOM 1606 CG1 VAL A 100 -5.755 -0.037 10.635 1.00 0.29 C ATOM 1607 CG2 VAL A 100 -6.920 1.273 8.843 1.00 0.29 C ATOM 0 H VAL A 100 -4.945 0.672 6.745 1.00 0.28 H new ATOM 0 HA VAL A 100 -4.272 1.887 9.319 1.00 0.28 H new ATOM 0 HB VAL A 100 -5.888 -0.580 8.585 1.00 0.27 H new ATOM 0 HG11 VAL A 100 -6.714 -0.482 10.900 1.00 0.29 H new ATOM 0 HG12 VAL A 100 -4.957 -0.754 10.827 1.00 0.29 H new ATOM 0 HG13 VAL A 100 -5.592 0.857 11.236 1.00 0.29 H new ATOM 0 HG21 VAL A 100 -7.857 0.806 9.145 1.00 0.29 H new ATOM 0 HG22 VAL A 100 -6.791 2.210 9.385 1.00 0.29 H new ATOM 0 HG23 VAL A 100 -6.943 1.474 7.772 1.00 0.29 H new ATOM 1617 N GLY A 101 -3.395 -1.230 8.621 1.00 0.28 N ATOM 1618 CA GLY A 101 -2.339 -2.206 8.813 1.00 0.29 C ATOM 1619 C GLY A 101 -2.634 -3.484 8.073 1.00 0.25 C ATOM 1620 O GLY A 101 -3.744 -3.663 7.573 1.00 0.28 O ATOM 0 H GLY A 101 -4.221 -1.585 8.140 1.00 0.28 H new ATOM 0 HA2 GLY A 101 -1.392 -1.793 8.466 1.00 0.29 H new ATOM 0 HA3 GLY A 101 -2.225 -2.417 9.876 1.00 0.29 H new ATOM 1624 N VAL A 102 -1.655 -4.369 7.991 1.00 0.25 N ATOM 1625 CA VAL A 102 -1.839 -5.618 7.271 1.00 0.22 C ATOM 1626 C VAL A 102 -2.187 -6.743 8.239 1.00 0.24 C ATOM 1627 O VAL A 102 -1.876 -6.675 9.429 1.00 0.28 O ATOM 1628 CB VAL A 102 -0.600 -6.005 6.426 1.00 0.24 C ATOM 1629 CG1 VAL A 102 0.083 -4.775 5.849 1.00 0.27 C ATOM 1630 CG2 VAL A 102 0.384 -6.856 7.215 1.00 0.25 C ATOM 0 H VAL A 102 -0.733 -4.248 8.410 1.00 0.25 H new ATOM 0 HA VAL A 102 -2.666 -5.466 6.578 1.00 0.22 H new ATOM 0 HB VAL A 102 -0.959 -6.611 5.595 1.00 0.24 H new ATOM 0 HG11 VAL A 102 0.949 -5.081 5.262 1.00 0.27 H new ATOM 0 HG12 VAL A 102 -0.617 -4.236 5.210 1.00 0.27 H new ATOM 0 HG13 VAL A 102 0.408 -4.124 6.661 1.00 0.27 H new ATOM 0 HG21 VAL A 102 1.237 -7.104 6.584 1.00 0.25 H new ATOM 0 HG22 VAL A 102 0.727 -6.300 8.088 1.00 0.25 H new ATOM 0 HG23 VAL A 102 -0.107 -7.774 7.539 1.00 0.25 H new ATOM 1640 N GLY A 103 -2.848 -7.759 7.720 1.00 0.24 N ATOM 1641 CA GLY A 103 -3.273 -8.872 8.535 1.00 0.29 C ATOM 1642 C GLY A 103 -4.665 -8.658 9.081 1.00 0.28 C ATOM 1643 O GLY A 103 -5.582 -9.435 8.802 1.00 0.34 O ATOM 0 H GLY A 103 -3.101 -7.834 6.735 1.00 0.24 H new ATOM 0 HA2 GLY A 103 -3.250 -9.787 7.944 1.00 0.29 H new ATOM 0 HA3 GLY A 103 -2.574 -9.008 9.360 1.00 0.29 H new ATOM 1647 N SER A 104 -4.815 -7.598 9.858 1.00 0.33 N ATOM 1648 CA SER A 104 -6.084 -7.222 10.436 1.00 0.32 C ATOM 1649 C SER A 104 -5.980 -5.807 10.979 1.00 0.39 C ATOM 1650 O SER A 104 -4.900 -5.217 10.964 1.00 0.59 O ATOM 1651 CB SER A 104 -6.445 -8.195 11.555 1.00 0.45 C ATOM 1652 OG SER A 104 -5.380 -8.320 12.488 1.00 1.38 O ATOM 0 H SER A 104 -4.049 -6.972 10.105 1.00 0.33 H new ATOM 0 HA SER A 104 -6.865 -7.259 9.677 1.00 0.32 H new ATOM 0 HB2 SER A 104 -7.342 -7.848 12.067 1.00 0.45 H new ATOM 0 HB3 SER A 104 -6.677 -9.172 11.131 1.00 0.45 H new ATOM 0 HG SER A 104 -5.637 -8.947 13.196 1.00 1.38 H new ATOM 1658 N CYS A 105 -7.087 -5.249 11.427 1.00 0.39 N ATOM 1659 CA CYS A 105 -7.045 -3.969 12.100 1.00 0.53 C ATOM 1660 C CYS A 105 -7.568 -4.095 13.528 1.00 0.48 C ATOM 1661 O CYS A 105 -8.751 -3.772 13.773 1.00 1.10 O ATOM 1662 CB CYS A 105 -7.812 -2.909 11.325 1.00 0.82 C ATOM 1663 SG CYS A 105 -9.363 -3.471 10.574 1.00 1.01 S ATOM 1664 OXT CYS A 105 -6.802 -4.554 14.398 1.00 1.20 O ATOM 0 H CYS A 105 -8.017 -5.658 11.338 1.00 0.39 H new ATOM 0 HA CYS A 105 -6.004 -3.648 12.146 1.00 0.53 H new ATOM 0 HB2 CYS A 105 -8.032 -2.079 11.997 1.00 0.82 H new ATOM 0 HB3 CYS A 105 -7.166 -2.519 10.538 1.00 0.82 H new