USER MOD reduce.3.24.130724 H: found=0, std=0, add=972, rem=0, adj=20 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 Set 1.1: A 83 HIS : no HE2:sc= 0.264 K(o=-0.34,f=-1.8) USER MOD Set 1.2: A 85 MET CE :methyl -174:sc= -0.602 (180deg=-0.713) USER MOD Set 2.1: A 48 THR OG1 : rot -170:sc= 0.0397 USER MOD Set 2.2: A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 172:sc= 2.26 (180deg=2.18) USER MOD Single : A 2 SER OG : rot -173:sc= 0.999 USER MOD Single : A 4 THR OG1 : rot 33:sc= 0.494 USER MOD Single : A 11 SER OG : rot 44:sc= 0.921 USER MOD Single : A 15 ASN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 19 TYR OH : rot -155:sc= 1.3 USER MOD Single : A 21 THR OG1 : rot -178:sc= 1.13 USER MOD Single : A 24 ASN : amide:sc= -1 K(o=-1,f=-6.4!) USER MOD Single : A 37 THR OG1 : rot 76:sc= 1.14 USER MOD Single : A 46 HIS : no HD1:sc= -0.965 K(o=-0.97,f=-3.6!) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 171:sc= 0.393 (180deg=0.0935) USER MOD Single : A 57 LYS NZ :NH3+ 179:sc= 0.737 (180deg=0.722) USER MOD Single : A 59 MET CE :methyl -118:sc=-0.00147 (180deg=-0.27) USER MOD Single : A 72 LYS NZ :NH3+ 146:sc= 0.608! (180deg=0.0819!) USER MOD Single : A 78 LYS NZ :NH3+ 158:sc= 0.255 (180deg=-0.0591) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -164:sc= 0.529 (180deg=0.0863) USER MOD Single : A 94 LYS NZ :NH3+ -156:sc= 1.48 (180deg=0.0919) USER MOD Single : A 109 LYS NZ :NH3+ 148:sc= 1.15 (180deg=0.495) USER MOD Single : A 112 LYS NZ :NH3+ -130:sc= 1.66 (180deg=-0.267) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.256 -10.704 -7.262 1.00 12.05 N ATOM 2 CA GLY A 1 13.201 -11.699 -7.533 1.00 12.69 C ATOM 3 C GLY A 1 12.011 -10.934 -8.048 1.00 12.37 C ATOM 4 O GLY A 1 12.115 -10.356 -9.117 1.00 12.75 O ATOM 0 H1 GLY A 1 15.052 -11.165 -6.777 1.00 12.05 H new ATOM 0 H2 GLY A 1 14.587 -10.296 -8.159 1.00 12.05 H new ATOM 0 H3 GLY A 1 13.874 -9.949 -6.658 1.00 12.05 H new ATOM 0 HA2 GLY A 1 13.538 -12.431 -8.267 1.00 12.69 H new ATOM 0 HA3 GLY A 1 12.946 -12.249 -6.628 1.00 12.69 H new ATOM 10 N SER A 2 10.987 -10.736 -7.224 1.00 11.93 N ATOM 11 CA SER A 2 10.458 -9.374 -7.063 1.00 11.09 C ATOM 12 C SER A 2 11.575 -8.437 -6.550 1.00 9.11 C ATOM 13 O SER A 2 12.572 -8.908 -5.991 1.00 8.85 O ATOM 14 CB SER A 2 9.272 -9.399 -6.083 1.00 11.83 C ATOM 15 OG SER A 2 9.556 -10.236 -4.972 1.00 12.47 O ATOM 0 H SER A 2 10.520 -11.460 -6.677 1.00 11.93 H new ATOM 0 HA SER A 2 10.109 -8.997 -8.025 1.00 11.09 H new ATOM 0 HB2 SER A 2 9.058 -8.388 -5.737 1.00 11.83 H new ATOM 0 HB3 SER A 2 8.378 -9.756 -6.595 1.00 11.83 H new ATOM 0 HG SER A 2 8.752 -10.330 -4.419 1.00 12.47 H new ATOM 21 N PHE A 3 11.446 -7.126 -6.780 1.00 8.24 N ATOM 22 CA PHE A 3 12.463 -6.125 -6.418 1.00 6.76 C ATOM 23 C PHE A 3 11.884 -4.887 -5.697 1.00 5.71 C ATOM 24 O PHE A 3 12.613 -3.931 -5.455 1.00 5.63 O ATOM 25 CB PHE A 3 13.260 -5.752 -7.681 1.00 7.56 C ATOM 26 CG PHE A 3 14.155 -6.861 -8.211 1.00 8.46 C ATOM 27 CD1 PHE A 3 15.377 -7.142 -7.567 1.00 8.42 C ATOM 28 CD2 PHE A 3 13.799 -7.590 -9.362 1.00 9.70 C ATOM 29 CE1 PHE A 3 16.244 -8.122 -8.081 1.00 9.48 C ATOM 30 CE2 PHE A 3 14.666 -8.571 -9.878 1.00 10.71 C ATOM 31 CZ PHE A 3 15.896 -8.828 -9.247 1.00 10.54 C ATOM 0 H PHE A 3 10.623 -6.722 -7.228 1.00 8.24 H new ATOM 0 HA PHE A 3 13.134 -6.570 -5.683 1.00 6.76 H new ATOM 0 HB2 PHE A 3 12.560 -5.461 -8.464 1.00 7.56 H new ATOM 0 HB3 PHE A 3 13.875 -4.879 -7.463 1.00 7.56 H new ATOM 0 HD1 PHE A 3 15.649 -6.601 -6.673 1.00 8.42 H new ATOM 0 HD2 PHE A 3 12.856 -7.395 -9.851 1.00 9.70 H new ATOM 0 HE1 PHE A 3 17.178 -8.333 -7.581 1.00 9.48 H new ATOM 0 HE2 PHE A 3 14.386 -9.127 -10.760 1.00 10.71 H new ATOM 0 HZ PHE A 3 16.571 -9.565 -9.656 1.00 10.54 H new ATOM 41 N THR A 4 10.598 -4.942 -5.328 1.00 5.48 N ATOM 42 CA THR A 4 9.883 -3.995 -4.467 1.00 4.63 C ATOM 43 C THR A 4 10.379 -4.088 -3.031 1.00 2.80 C ATOM 44 O THR A 4 10.356 -5.181 -2.460 1.00 3.21 O ATOM 45 CB THR A 4 8.386 -4.342 -4.468 1.00 5.95 C ATOM 46 OG1 THR A 4 8.259 -5.736 -4.253 1.00 6.94 O ATOM 47 CG2 THR A 4 7.701 -3.981 -5.781 1.00 7.47 C ATOM 0 H THR A 4 9.991 -5.699 -5.644 1.00 5.48 H new ATOM 0 HA THR A 4 10.056 -2.989 -4.850 1.00 4.63 H new ATOM 0 HB THR A 4 7.903 -3.763 -3.681 1.00 5.95 H new ATOM 0 HG1 THR A 4 8.985 -6.045 -3.671 1.00 6.94 H new ATOM 0 HG21 THR A 4 6.646 -4.248 -5.726 1.00 7.47 H new ATOM 0 HG22 THR A 4 7.796 -2.910 -5.958 1.00 7.47 H new ATOM 0 HG23 THR A 4 8.171 -4.527 -6.599 1.00 7.47 H new ATOM 55 N GLU A 5 10.694 -2.956 -2.411 1.00 1.89 N ATOM 56 CA GLU A 5 11.034 -2.843 -0.984 1.00 1.48 C ATOM 57 C GLU A 5 9.775 -2.937 -0.081 1.00 1.23 C ATOM 58 O GLU A 5 9.555 -2.116 0.811 1.00 1.70 O ATOM 59 CB GLU A 5 11.844 -1.555 -0.709 1.00 3.25 C ATOM 60 CG GLU A 5 13.002 -1.259 -1.681 1.00 4.21 C ATOM 61 CD GLU A 5 12.543 -0.417 -2.874 1.00 5.83 C ATOM 62 OE1 GLU A 5 12.007 -0.987 -3.848 1.00 6.24 O ATOM 63 OE2 GLU A 5 12.624 0.827 -2.806 1.00 7.28 O ATOM 0 H GLU A 5 10.723 -2.060 -2.897 1.00 1.89 H new ATOM 0 HA GLU A 5 11.667 -3.692 -0.727 1.00 1.48 H new ATOM 0 HB2 GLU A 5 11.158 -0.708 -0.726 1.00 3.25 H new ATOM 0 HB3 GLU A 5 12.251 -1.615 0.300 1.00 3.25 H new ATOM 0 HG2 GLU A 5 13.797 -0.734 -1.150 1.00 4.21 H new ATOM 0 HG3 GLU A 5 13.424 -2.198 -2.040 1.00 4.21 H new ATOM 70 N GLY A 6 8.899 -3.914 -0.342 1.00 0.98 N ATOM 71 CA GLY A 6 7.593 -4.064 0.303 1.00 0.85 C ATOM 72 C GLY A 6 7.405 -5.372 1.043 1.00 0.79 C ATOM 73 O GLY A 6 7.969 -6.404 0.681 1.00 1.02 O ATOM 0 H GLY A 6 9.087 -4.644 -1.029 1.00 0.98 H new ATOM 0 HA2 GLY A 6 7.451 -3.241 1.004 1.00 0.85 H new ATOM 0 HA3 GLY A 6 6.815 -3.975 -0.455 1.00 0.85 H new ATOM 77 N TRP A 7 6.560 -5.326 2.067 1.00 0.69 N ATOM 78 CA TRP A 7 6.264 -6.441 2.955 1.00 0.69 C ATOM 79 C TRP A 7 4.888 -6.271 3.607 1.00 0.65 C ATOM 80 O TRP A 7 4.300 -5.185 3.613 1.00 0.68 O ATOM 81 CB TRP A 7 7.384 -6.608 4.002 1.00 0.92 C ATOM 82 CG TRP A 7 7.368 -5.653 5.156 1.00 1.04 C ATOM 83 CD1 TRP A 7 6.886 -5.933 6.387 1.00 1.32 C ATOM 84 CD2 TRP A 7 7.830 -4.266 5.223 1.00 1.06 C ATOM 85 NE1 TRP A 7 7.039 -4.840 7.213 1.00 1.48 N ATOM 86 CE2 TRP A 7 7.606 -3.776 6.548 1.00 1.35 C ATOM 87 CE3 TRP A 7 8.396 -3.361 4.299 1.00 1.04 C ATOM 88 CZ2 TRP A 7 7.917 -2.463 6.930 1.00 1.55 C ATOM 89 CZ3 TRP A 7 8.702 -2.036 4.665 1.00 1.29 C ATOM 90 CH2 TRP A 7 8.463 -1.586 5.977 1.00 1.51 C ATOM 0 H TRP A 7 6.044 -4.480 2.309 1.00 0.69 H new ATOM 0 HA TRP A 7 6.227 -7.357 2.366 1.00 0.69 H new ATOM 0 HB2 TRP A 7 7.332 -7.622 4.398 1.00 0.92 H new ATOM 0 HB3 TRP A 7 8.343 -6.513 3.493 1.00 0.92 H new ATOM 0 HD1 TRP A 7 6.446 -6.874 6.681 1.00 1.32 H new ATOM 0 HE1 TRP A 7 6.766 -4.822 8.196 1.00 1.48 H new ATOM 0 HE3 TRP A 7 8.598 -3.692 3.291 1.00 1.04 H new ATOM 0 HZ2 TRP A 7 7.739 -2.130 7.942 1.00 1.55 H new ATOM 0 HZ3 TRP A 7 9.123 -1.361 3.934 1.00 1.29 H new ATOM 0 HH2 TRP A 7 8.699 -0.568 6.251 1.00 1.51 H new ATOM 101 N VAL A 8 4.360 -7.363 4.149 1.00 0.75 N ATOM 102 CA VAL A 8 3.023 -7.385 4.750 1.00 0.79 C ATOM 103 C VAL A 8 3.133 -7.747 6.231 1.00 0.89 C ATOM 104 O VAL A 8 3.746 -8.739 6.608 1.00 0.98 O ATOM 105 CB VAL A 8 2.086 -8.307 3.942 1.00 0.78 C ATOM 106 CG1 VAL A 8 0.694 -8.401 4.580 1.00 0.88 C ATOM 107 CG2 VAL A 8 1.950 -7.764 2.505 1.00 0.81 C ATOM 0 H VAL A 8 4.844 -8.260 4.186 1.00 0.75 H new ATOM 0 HA VAL A 8 2.568 -6.395 4.707 1.00 0.79 H new ATOM 0 HB VAL A 8 2.523 -9.306 3.933 1.00 0.78 H new ATOM 0 HG11 VAL A 8 0.063 -9.059 3.982 1.00 0.88 H new ATOM 0 HG12 VAL A 8 0.783 -8.802 5.590 1.00 0.88 H new ATOM 0 HG13 VAL A 8 0.245 -7.409 4.622 1.00 0.88 H new ATOM 0 HG21 VAL A 8 1.288 -8.413 1.932 1.00 0.81 H new ATOM 0 HG22 VAL A 8 1.534 -6.757 2.534 1.00 0.81 H new ATOM 0 HG23 VAL A 8 2.932 -7.737 2.032 1.00 0.81 H new ATOM 117 N ARG A 9 2.544 -6.903 7.074 1.00 0.94 N ATOM 118 CA ARG A 9 2.573 -7.033 8.530 1.00 1.04 C ATOM 119 C ARG A 9 1.910 -8.311 9.070 1.00 1.20 C ATOM 120 O ARG A 9 0.865 -8.754 8.586 1.00 1.93 O ATOM 121 CB ARG A 9 1.966 -5.770 9.165 1.00 1.17 C ATOM 122 CG ARG A 9 0.434 -5.604 9.128 1.00 2.18 C ATOM 123 CD ARG A 9 -0.233 -5.579 7.742 1.00 3.95 C ATOM 124 NE ARG A 9 -0.633 -6.911 7.291 1.00 5.95 N ATOM 125 CZ ARG A 9 -1.793 -7.311 6.798 1.00 7.70 C ATOM 126 NH1 ARG A 9 -2.803 -6.495 6.585 1.00 8.07 N ATOM 127 NH2 ARG A 9 -1.921 -8.588 6.515 1.00 9.47 N ATOM 0 H ARG A 9 2.019 -6.088 6.756 1.00 0.94 H new ATOM 0 HA ARG A 9 3.620 -7.131 8.817 1.00 1.04 H new ATOM 0 HB2 ARG A 9 2.280 -5.737 10.208 1.00 1.17 H new ATOM 0 HB3 ARG A 9 2.407 -4.904 8.672 1.00 1.17 H new ATOM 0 HG2 ARG A 9 -0.009 -6.418 9.702 1.00 2.18 H new ATOM 0 HG3 ARG A 9 0.181 -4.677 9.642 1.00 2.18 H new ATOM 0 HD2 ARG A 9 -1.109 -4.931 7.775 1.00 3.95 H new ATOM 0 HD3 ARG A 9 0.457 -5.145 7.018 1.00 3.95 H new ATOM 0 HE ARG A 9 0.083 -7.633 7.367 1.00 5.95 H new ATOM 0 HH11 ARG A 9 -2.711 -5.503 6.802 1.00 8.07 H new ATOM 0 HH12 ARG A 9 -3.677 -6.855 6.203 1.00 8.07 H new ATOM 0 HH21 ARG A 9 -1.143 -9.227 6.678 1.00 9.47 H new ATOM 0 HH22 ARG A 9 -2.799 -8.940 6.133 1.00 9.47 H new ATOM 141 N PHE A 10 2.447 -8.850 10.155 1.00 1.25 N ATOM 142 CA PHE A 10 1.781 -9.814 11.024 1.00 1.27 C ATOM 143 C PHE A 10 1.187 -9.067 12.227 1.00 1.37 C ATOM 144 O PHE A 10 1.818 -8.178 12.789 1.00 1.66 O ATOM 145 CB PHE A 10 2.814 -10.869 11.450 1.00 1.48 C ATOM 146 CG PHE A 10 2.434 -11.741 12.633 1.00 1.64 C ATOM 147 CD1 PHE A 10 1.137 -12.272 12.753 1.00 2.01 C ATOM 148 CD2 PHE A 10 3.373 -11.972 13.656 1.00 2.70 C ATOM 149 CE1 PHE A 10 0.759 -12.968 13.911 1.00 2.17 C ATOM 150 CE2 PHE A 10 3.008 -12.708 14.795 1.00 2.85 C ATOM 151 CZ PHE A 10 1.695 -13.186 14.934 1.00 2.04 C ATOM 0 H PHE A 10 3.391 -8.621 10.467 1.00 1.25 H new ATOM 0 HA PHE A 10 0.964 -10.322 10.512 1.00 1.27 H new ATOM 0 HB2 PHE A 10 3.013 -11.517 10.597 1.00 1.48 H new ATOM 0 HB3 PHE A 10 3.747 -10.358 11.687 1.00 1.48 H new ATOM 0 HD1 PHE A 10 0.428 -12.143 11.949 1.00 2.01 H new ATOM 0 HD2 PHE A 10 4.376 -11.582 13.565 1.00 2.70 H new ATOM 0 HE1 PHE A 10 -0.251 -13.336 14.015 1.00 2.17 H new ATOM 0 HE2 PHE A 10 3.738 -12.907 15.565 1.00 2.85 H new ATOM 0 HZ PHE A 10 1.406 -13.721 15.827 1.00 2.04 H new ATOM 161 N SER A 11 -0.024 -9.430 12.649 1.00 1.36 N ATOM 162 CA SER A 11 -0.621 -9.025 13.923 1.00 1.60 C ATOM 163 C SER A 11 -1.832 -9.912 14.272 1.00 1.71 C ATOM 164 O SER A 11 -2.406 -10.506 13.357 1.00 1.82 O ATOM 165 CB SER A 11 -1.071 -7.562 13.827 1.00 1.85 C ATOM 166 OG SER A 11 -0.031 -6.687 14.215 1.00 2.62 O ATOM 0 H SER A 11 -0.636 -10.032 12.098 1.00 1.36 H new ATOM 0 HA SER A 11 0.126 -9.138 14.709 1.00 1.60 H new ATOM 0 HB2 SER A 11 -1.378 -7.338 12.805 1.00 1.85 H new ATOM 0 HB3 SER A 11 -1.942 -7.403 14.463 1.00 1.85 H new ATOM 0 HG SER A 11 0.812 -6.983 13.813 1.00 2.62 H new ATOM 172 N PRO A 12 -2.236 -10.007 15.556 1.00 1.88 N ATOM 173 CA PRO A 12 -3.401 -10.768 16.003 1.00 2.15 C ATOM 174 C PRO A 12 -4.690 -9.935 15.854 1.00 1.97 C ATOM 175 O PRO A 12 -5.386 -9.671 16.834 1.00 2.71 O ATOM 176 CB PRO A 12 -3.070 -11.139 17.455 1.00 2.56 C ATOM 177 CG PRO A 12 -2.319 -9.903 17.948 1.00 2.45 C ATOM 178 CD PRO A 12 -1.523 -9.474 16.713 1.00 2.05 C ATOM 0 HA PRO A 12 -3.594 -11.662 15.410 1.00 2.15 H new ATOM 0 HB2 PRO A 12 -3.970 -11.328 18.041 1.00 2.56 H new ATOM 0 HB3 PRO A 12 -2.456 -12.038 17.515 1.00 2.56 H new ATOM 0 HG2 PRO A 12 -3.002 -9.121 18.281 1.00 2.45 H new ATOM 0 HG3 PRO A 12 -1.666 -10.135 18.789 1.00 2.45 H new ATOM 0 HD2 PRO A 12 -1.449 -8.388 16.657 1.00 2.05 H new ATOM 0 HD3 PRO A 12 -0.505 -9.861 16.754 1.00 2.05 H new ATOM 186 N GLY A 13 -4.990 -9.481 14.629 1.00 1.37 N ATOM 187 CA GLY A 13 -6.147 -8.626 14.339 1.00 1.27 C ATOM 188 C GLY A 13 -6.796 -8.907 12.977 1.00 1.22 C ATOM 189 O GLY A 13 -6.137 -9.473 12.102 1.00 1.57 O ATOM 0 H GLY A 13 -4.430 -9.700 13.805 1.00 1.37 H new ATOM 0 HA2 GLY A 13 -6.893 -8.762 15.122 1.00 1.27 H new ATOM 0 HA3 GLY A 13 -5.834 -7.582 14.374 1.00 1.27 H new ATOM 193 N PRO A 14 -8.063 -8.495 12.768 1.00 1.17 N ATOM 194 CA PRO A 14 -8.797 -8.705 11.518 1.00 1.46 C ATOM 195 C PRO A 14 -8.387 -7.728 10.402 1.00 1.25 C ATOM 196 O PRO A 14 -8.888 -7.846 9.283 1.00 1.43 O ATOM 197 CB PRO A 14 -10.269 -8.525 11.902 1.00 1.77 C ATOM 198 CG PRO A 14 -10.209 -7.471 13.005 1.00 1.56 C ATOM 199 CD PRO A 14 -8.913 -7.815 13.740 1.00 1.24 C ATOM 0 HA PRO A 14 -8.584 -9.690 11.102 1.00 1.46 H new ATOM 0 HB2 PRO A 14 -10.869 -8.190 11.056 1.00 1.77 H new ATOM 0 HB3 PRO A 14 -10.710 -9.456 12.257 1.00 1.77 H new ATOM 0 HG2 PRO A 14 -10.185 -6.461 12.597 1.00 1.56 H new ATOM 0 HG3 PRO A 14 -11.075 -7.528 13.665 1.00 1.56 H new ATOM 0 HD2 PRO A 14 -8.429 -6.915 14.118 1.00 1.24 H new ATOM 0 HD3 PRO A 14 -9.111 -8.455 14.600 1.00 1.24 H new ATOM 207 N ASN A 15 -7.497 -6.768 10.690 1.00 0.99 N ATOM 208 CA ASN A 15 -7.057 -5.714 9.782 1.00 0.74 C ATOM 209 C ASN A 15 -5.735 -5.063 10.219 1.00 0.68 C ATOM 210 O ASN A 15 -5.443 -5.005 11.412 1.00 1.03 O ATOM 211 CB ASN A 15 -8.158 -4.652 9.670 1.00 1.06 C ATOM 212 CG ASN A 15 -8.395 -3.831 10.937 1.00 1.38 C ATOM 213 OD1 ASN A 15 -8.608 -4.352 12.022 1.00 2.21 O ATOM 214 ND2 ASN A 15 -8.406 -2.515 10.824 1.00 1.71 N ATOM 0 H ASN A 15 -7.048 -6.707 11.604 1.00 0.99 H new ATOM 0 HA ASN A 15 -6.871 -6.173 8.811 1.00 0.74 H new ATOM 0 HB2 ASN A 15 -7.905 -3.972 8.857 1.00 1.06 H new ATOM 0 HB3 ASN A 15 -9.090 -5.145 9.395 1.00 1.06 H new ATOM 0 HD21 ASN A 15 -8.592 -1.934 11.642 1.00 1.71 H new ATOM 0 HD22 ASN A 15 -8.228 -2.079 9.919 1.00 1.71 H new ATOM 221 N ALA A 16 -4.976 -4.512 9.257 1.00 0.80 N ATOM 222 CA ALA A 16 -3.758 -3.711 9.475 1.00 1.44 C ATOM 223 C ALA A 16 -3.176 -3.170 8.152 1.00 0.99 C ATOM 224 O ALA A 16 -3.436 -3.729 7.080 1.00 1.06 O ATOM 225 CB ALA A 16 -2.701 -4.501 10.271 1.00 2.54 C ATOM 0 H ALA A 16 -5.202 -4.616 8.268 1.00 0.80 H new ATOM 0 HA ALA A 16 -4.048 -2.847 10.073 1.00 1.44 H new ATOM 0 HB1 ALA A 16 -1.816 -3.882 10.414 1.00 2.54 H new ATOM 0 HB2 ALA A 16 -3.110 -4.780 11.242 1.00 2.54 H new ATOM 0 HB3 ALA A 16 -2.429 -5.401 9.720 1.00 2.54 H new ATOM 231 N ALA A 17 -2.344 -2.126 8.251 1.00 1.88 N ATOM 232 CA ALA A 17 -1.672 -1.445 7.138 1.00 1.63 C ATOM 233 C ALA A 17 -0.549 -2.295 6.525 1.00 1.66 C ATOM 234 O ALA A 17 0.267 -2.825 7.264 1.00 2.22 O ATOM 235 CB ALA A 17 -1.087 -0.128 7.673 1.00 1.79 C ATOM 0 H ALA A 17 -2.110 -1.713 9.154 1.00 1.88 H new ATOM 0 HA ALA A 17 -2.402 -1.266 6.348 1.00 1.63 H new ATOM 0 HB1 ALA A 17 -0.581 0.400 6.865 1.00 1.79 H new ATOM 0 HB2 ALA A 17 -1.891 0.495 8.065 1.00 1.79 H new ATOM 0 HB3 ALA A 17 -0.374 -0.343 8.469 1.00 1.79 H new ATOM 241 N ALA A 18 -0.488 -2.390 5.196 1.00 1.19 N ATOM 242 CA ALA A 18 0.602 -3.024 4.442 1.00 1.21 C ATOM 243 C ALA A 18 1.316 -2.010 3.531 1.00 0.84 C ATOM 244 O ALA A 18 0.726 -0.992 3.154 1.00 0.79 O ATOM 245 CB ALA A 18 0.018 -4.198 3.649 1.00 1.43 C ATOM 0 H ALA A 18 -1.219 -2.016 4.592 1.00 1.19 H new ATOM 0 HA ALA A 18 1.361 -3.398 5.129 1.00 1.21 H new ATOM 0 HB1 ALA A 18 0.811 -4.684 3.081 1.00 1.43 H new ATOM 0 HB2 ALA A 18 -0.428 -4.916 4.337 1.00 1.43 H new ATOM 0 HB3 ALA A 18 -0.746 -3.830 2.964 1.00 1.43 H new ATOM 251 N TYR A 19 2.584 -2.274 3.201 1.00 0.74 N ATOM 252 CA TYR A 19 3.536 -1.256 2.719 1.00 0.79 C ATOM 253 C TYR A 19 4.414 -1.771 1.566 1.00 0.90 C ATOM 254 O TYR A 19 4.689 -2.969 1.487 1.00 1.01 O ATOM 255 CB TYR A 19 4.455 -0.803 3.876 1.00 0.88 C ATOM 256 CG TYR A 19 4.017 -1.188 5.276 1.00 0.77 C ATOM 257 CD1 TYR A 19 3.028 -0.443 5.943 1.00 1.71 C ATOM 258 CD2 TYR A 19 4.581 -2.321 5.887 1.00 2.24 C ATOM 259 CE1 TYR A 19 2.631 -0.810 7.243 1.00 1.51 C ATOM 260 CE2 TYR A 19 4.212 -2.673 7.194 1.00 2.59 C ATOM 261 CZ TYR A 19 3.252 -1.907 7.889 1.00 1.28 C ATOM 262 OH TYR A 19 2.947 -2.214 9.180 1.00 1.68 O ATOM 0 H TYR A 19 2.987 -3.209 3.260 1.00 0.74 H new ATOM 0 HA TYR A 19 2.943 -0.421 2.347 1.00 0.79 H new ATOM 0 HB2 TYR A 19 5.449 -1.215 3.704 1.00 0.88 H new ATOM 0 HB3 TYR A 19 4.548 0.282 3.834 1.00 0.88 H new ATOM 0 HD1 TYR A 19 2.574 0.409 5.459 1.00 1.71 H new ATOM 0 HD2 TYR A 19 5.300 -2.922 5.349 1.00 2.24 H new ATOM 0 HE1 TYR A 19 1.853 -0.255 7.747 1.00 1.51 H new ATOM 0 HE2 TYR A 19 4.663 -3.532 7.669 1.00 2.59 H new ATOM 0 HH TYR A 19 3.697 -2.695 9.588 1.00 1.68 H new ATOM 272 N LEU A 20 4.915 -0.863 0.715 1.00 0.93 N ATOM 273 CA LEU A 20 5.838 -1.168 -0.392 1.00 1.08 C ATOM 274 C LEU A 20 6.399 0.084 -1.061 1.00 1.15 C ATOM 275 O LEU A 20 5.728 1.112 -1.100 1.00 1.08 O ATOM 276 CB LEU A 20 5.222 -2.128 -1.454 1.00 1.08 C ATOM 277 CG LEU A 20 4.118 -1.564 -2.379 1.00 1.00 C ATOM 278 CD1 LEU A 20 3.853 -2.550 -3.529 1.00 1.21 C ATOM 279 CD2 LEU A 20 2.794 -1.307 -1.647 1.00 1.54 C ATOM 0 H LEU A 20 4.685 0.129 0.778 1.00 0.93 H new ATOM 0 HA LEU A 20 6.671 -1.692 0.077 1.00 1.08 H new ATOM 0 HB2 LEU A 20 6.032 -2.495 -2.084 1.00 1.08 H new ATOM 0 HB3 LEU A 20 4.811 -2.990 -0.929 1.00 1.08 H new ATOM 0 HG LEU A 20 4.485 -0.608 -2.752 1.00 1.00 H new ATOM 0 HD11 LEU A 20 3.075 -2.150 -4.179 1.00 1.21 H new ATOM 0 HD12 LEU A 20 4.768 -2.693 -4.104 1.00 1.21 H new ATOM 0 HD13 LEU A 20 3.528 -3.507 -3.120 1.00 1.21 H new ATOM 0 HD21 LEU A 20 2.060 -0.912 -2.350 1.00 1.54 H new ATOM 0 HD22 LEU A 20 2.425 -2.241 -1.224 1.00 1.54 H new ATOM 0 HD23 LEU A 20 2.955 -0.585 -0.847 1.00 1.54 H new ATOM 291 N THR A 21 7.574 -0.035 -1.684 1.00 1.36 N ATOM 292 CA THR A 21 7.940 0.831 -2.809 1.00 1.36 C ATOM 293 C THR A 21 7.179 0.405 -4.056 1.00 1.32 C ATOM 294 O THR A 21 6.917 -0.780 -4.259 1.00 1.51 O ATOM 295 CB THR A 21 9.446 0.853 -3.056 1.00 1.65 C ATOM 296 OG1 THR A 21 10.113 1.360 -1.930 1.00 1.94 O ATOM 297 CG2 THR A 21 9.815 1.787 -4.205 1.00 1.88 C ATOM 0 H THR A 21 8.286 -0.720 -1.430 1.00 1.36 H new ATOM 0 HA THR A 21 7.657 1.852 -2.554 1.00 1.36 H new ATOM 0 HB THR A 21 9.735 -0.173 -3.282 1.00 1.65 H new ATOM 0 HG1 THR A 21 11.075 1.405 -2.112 1.00 1.94 H new ATOM 0 HG21 THR A 21 10.895 1.776 -4.350 1.00 1.88 H new ATOM 0 HG22 THR A 21 9.322 1.453 -5.118 1.00 1.88 H new ATOM 0 HG23 THR A 21 9.491 2.801 -3.968 1.00 1.88 H new ATOM 305 N LEU A 22 6.854 1.397 -4.884 1.00 1.29 N ATOM 306 CA LEU A 22 6.248 1.284 -6.202 1.00 1.31 C ATOM 307 C LEU A 22 7.171 1.979 -7.208 1.00 1.07 C ATOM 308 O LEU A 22 7.510 3.155 -7.036 1.00 1.11 O ATOM 309 CB LEU A 22 4.875 1.978 -6.124 1.00 1.58 C ATOM 310 CG LEU A 22 3.814 1.643 -7.186 1.00 1.78 C ATOM 311 CD1 LEU A 22 4.349 1.689 -8.616 1.00 2.04 C ATOM 312 CD2 LEU A 22 3.190 0.273 -6.898 1.00 2.39 C ATOM 0 H LEU A 22 7.021 2.370 -4.629 1.00 1.29 H new ATOM 0 HA LEU A 22 6.114 0.249 -6.518 1.00 1.31 H new ATOM 0 HB2 LEU A 22 4.447 1.753 -5.147 1.00 1.58 H new ATOM 0 HB3 LEU A 22 5.047 3.054 -6.157 1.00 1.58 H new ATOM 0 HG LEU A 22 3.053 2.420 -7.116 1.00 1.78 H new ATOM 0 HD11 LEU A 22 3.548 1.443 -9.312 1.00 2.04 H new ATOM 0 HD12 LEU A 22 4.723 2.690 -8.833 1.00 2.04 H new ATOM 0 HD13 LEU A 22 5.159 0.968 -8.725 1.00 2.04 H new ATOM 0 HD21 LEU A 22 2.441 0.048 -7.657 1.00 2.39 H new ATOM 0 HD22 LEU A 22 3.967 -0.492 -6.917 1.00 2.39 H new ATOM 0 HD23 LEU A 22 2.718 0.287 -5.915 1.00 2.39 H new ATOM 324 N GLU A 23 7.569 1.247 -8.240 1.00 0.97 N ATOM 325 CA GLU A 23 8.370 1.701 -9.371 1.00 0.81 C ATOM 326 C GLU A 23 7.547 1.940 -10.639 1.00 0.93 C ATOM 327 O GLU A 23 6.774 1.100 -11.092 1.00 1.14 O ATOM 328 CB GLU A 23 9.520 0.722 -9.668 1.00 1.13 C ATOM 329 CG GLU A 23 9.150 -0.754 -9.911 1.00 1.57 C ATOM 330 CD GLU A 23 9.092 -1.554 -8.615 1.00 3.06 C ATOM 331 OE1 GLU A 23 8.105 -1.366 -7.879 1.00 4.77 O ATOM 332 OE2 GLU A 23 10.084 -2.267 -8.333 1.00 3.07 O ATOM 0 H GLU A 23 7.327 0.259 -8.315 1.00 0.97 H new ATOM 0 HA GLU A 23 8.784 2.664 -9.072 1.00 0.81 H new ATOM 0 HB2 GLU A 23 10.053 1.085 -10.547 1.00 1.13 H new ATOM 0 HB3 GLU A 23 10.219 0.761 -8.833 1.00 1.13 H new ATOM 0 HG2 GLU A 23 8.183 -0.807 -10.412 1.00 1.57 H new ATOM 0 HG3 GLU A 23 9.882 -1.205 -10.582 1.00 1.57 H new ATOM 339 N ASN A 24 7.806 3.069 -11.289 1.00 0.93 N ATOM 340 CA ASN A 24 7.420 3.292 -12.670 1.00 0.99 C ATOM 341 C ASN A 24 8.629 3.042 -13.592 1.00 0.89 C ATOM 342 O ASN A 24 9.552 3.860 -13.614 1.00 0.90 O ATOM 343 CB ASN A 24 6.891 4.717 -12.803 1.00 1.09 C ATOM 344 CG ASN A 24 6.294 4.966 -14.172 1.00 1.18 C ATOM 345 OD1 ASN A 24 6.307 4.118 -15.054 1.00 1.21 O ATOM 346 ND2 ASN A 24 5.710 6.127 -14.357 1.00 1.28 N ATOM 0 H ASN A 24 8.294 3.859 -10.866 1.00 0.93 H new ATOM 0 HA ASN A 24 6.632 2.600 -12.968 1.00 0.99 H new ATOM 0 HB2 ASN A 24 6.136 4.898 -12.038 1.00 1.09 H new ATOM 0 HB3 ASN A 24 7.701 5.424 -12.625 1.00 1.09 H new ATOM 0 HD21 ASN A 24 5.257 6.334 -15.247 1.00 1.28 H new ATOM 0 HD22 ASN A 24 5.709 6.822 -13.610 1.00 1.28 H new ATOM 353 N PRO A 25 8.661 1.934 -14.351 1.00 0.94 N ATOM 354 CA PRO A 25 9.712 1.684 -15.334 1.00 0.91 C ATOM 355 C PRO A 25 9.464 2.397 -16.672 1.00 0.94 C ATOM 356 O PRO A 25 10.367 2.438 -17.509 1.00 0.93 O ATOM 357 CB PRO A 25 9.704 0.162 -15.511 1.00 1.08 C ATOM 358 CG PRO A 25 8.226 -0.191 -15.324 1.00 1.22 C ATOM 359 CD PRO A 25 7.775 0.783 -14.241 1.00 1.13 C ATOM 0 HA PRO A 25 10.672 2.072 -14.994 1.00 0.91 H new ATOM 0 HB2 PRO A 25 10.069 -0.133 -16.495 1.00 1.08 H new ATOM 0 HB3 PRO A 25 10.335 -0.335 -14.774 1.00 1.08 H new ATOM 0 HG2 PRO A 25 7.660 -0.060 -16.246 1.00 1.22 H new ATOM 0 HG3 PRO A 25 8.095 -1.228 -15.014 1.00 1.22 H new ATOM 0 HD2 PRO A 25 6.735 1.075 -14.386 1.00 1.13 H new ATOM 0 HD3 PRO A 25 7.844 0.329 -13.253 1.00 1.13 H new ATOM 367 N GLY A 26 8.265 2.953 -16.885 1.00 1.03 N ATOM 368 CA GLY A 26 7.862 3.609 -18.128 1.00 1.15 C ATOM 369 C GLY A 26 8.292 5.069 -18.212 1.00 1.16 C ATOM 370 O GLY A 26 8.884 5.628 -17.291 1.00 1.15 O ATOM 0 H GLY A 26 7.531 2.957 -16.177 1.00 1.03 H new ATOM 0 HA2 GLY A 26 8.287 3.064 -18.971 1.00 1.15 H new ATOM 0 HA3 GLY A 26 6.778 3.552 -18.225 1.00 1.15 H new ATOM 374 N ASP A 27 8.007 5.665 -19.367 1.00 1.27 N ATOM 375 CA ASP A 27 8.386 7.032 -19.763 1.00 1.35 C ATOM 376 C ASP A 27 7.237 8.047 -19.585 1.00 1.54 C ATOM 377 O ASP A 27 7.444 9.254 -19.684 1.00 1.75 O ATOM 378 CB ASP A 27 8.880 6.976 -21.219 1.00 1.37 C ATOM 379 CG ASP A 27 10.082 6.033 -21.348 1.00 1.56 C ATOM 380 OD1 ASP A 27 9.878 4.798 -21.378 1.00 2.11 O ATOM 381 OD2 ASP A 27 11.232 6.507 -21.231 1.00 2.65 O ATOM 0 H ASP A 27 7.477 5.187 -20.096 1.00 1.27 H new ATOM 0 HA ASP A 27 9.180 7.390 -19.107 1.00 1.35 H new ATOM 0 HB2 ASP A 27 8.074 6.636 -21.869 1.00 1.37 H new ATOM 0 HB3 ASP A 27 9.158 7.976 -21.552 1.00 1.37 H new ATOM 386 N LEU A 28 6.036 7.556 -19.252 1.00 1.52 N ATOM 387 CA LEU A 28 4.861 8.327 -18.834 1.00 1.68 C ATOM 388 C LEU A 28 4.459 7.934 -17.394 1.00 1.41 C ATOM 389 O LEU A 28 4.881 6.871 -16.933 1.00 1.15 O ATOM 390 CB LEU A 28 3.756 8.146 -19.897 1.00 1.95 C ATOM 391 CG LEU A 28 3.150 6.733 -20.072 1.00 1.89 C ATOM 392 CD1 LEU A 28 2.130 6.375 -18.976 1.00 2.20 C ATOM 393 CD2 LEU A 28 2.437 6.663 -21.430 1.00 2.15 C ATOM 0 H LEU A 28 5.849 6.553 -19.269 1.00 1.52 H new ATOM 0 HA LEU A 28 5.069 9.396 -18.784 1.00 1.68 H new ATOM 0 HB2 LEU A 28 2.944 8.832 -19.656 1.00 1.95 H new ATOM 0 HB3 LEU A 28 4.162 8.458 -20.859 1.00 1.95 H new ATOM 0 HG LEU A 28 3.973 6.022 -20.005 1.00 1.89 H new ATOM 0 HD11 LEU A 28 1.741 5.372 -19.154 1.00 2.20 H new ATOM 0 HD12 LEU A 28 2.617 6.407 -18.001 1.00 2.20 H new ATOM 0 HD13 LEU A 28 1.309 7.091 -18.995 1.00 2.20 H new ATOM 0 HD21 LEU A 28 2.006 5.671 -21.564 1.00 2.15 H new ATOM 0 HD22 LEU A 28 1.644 7.411 -21.464 1.00 2.15 H new ATOM 0 HD23 LEU A 28 3.154 6.858 -22.228 1.00 2.15 H new ATOM 405 N PRO A 29 3.682 8.749 -16.650 1.00 1.52 N ATOM 406 CA PRO A 29 3.461 8.552 -15.215 1.00 1.37 C ATOM 407 C PRO A 29 2.425 7.445 -14.925 1.00 1.25 C ATOM 408 O PRO A 29 1.477 7.259 -15.688 1.00 1.44 O ATOM 409 CB PRO A 29 2.993 9.909 -14.685 1.00 1.59 C ATOM 410 CG PRO A 29 2.285 10.533 -15.886 1.00 1.85 C ATOM 411 CD PRO A 29 3.045 9.981 -17.094 1.00 1.85 C ATOM 0 HA PRO A 29 4.374 8.216 -14.723 1.00 1.37 H new ATOM 0 HB2 PRO A 29 2.320 9.798 -13.835 1.00 1.59 H new ATOM 0 HB3 PRO A 29 3.831 10.520 -14.350 1.00 1.59 H new ATOM 0 HG2 PRO A 29 1.231 10.255 -15.917 1.00 1.85 H new ATOM 0 HG3 PRO A 29 2.327 11.622 -15.852 1.00 1.85 H new ATOM 0 HD2 PRO A 29 2.367 9.790 -17.926 1.00 1.85 H new ATOM 0 HD3 PRO A 29 3.787 10.697 -17.446 1.00 1.85 H new ATOM 419 N LEU A 30 2.566 6.752 -13.783 1.00 1.02 N ATOM 420 CA LEU A 30 1.564 5.808 -13.265 1.00 0.93 C ATOM 421 C LEU A 30 0.665 6.483 -12.243 1.00 0.92 C ATOM 422 O LEU A 30 1.092 7.375 -11.517 1.00 1.07 O ATOM 423 CB LEU A 30 2.181 4.582 -12.576 1.00 0.86 C ATOM 424 CG LEU A 30 3.071 3.715 -13.461 1.00 1.15 C ATOM 425 CD1 LEU A 30 3.342 2.376 -12.777 1.00 1.97 C ATOM 426 CD2 LEU A 30 2.552 3.447 -14.874 1.00 1.79 C ATOM 0 H LEU A 30 3.390 6.833 -13.187 1.00 1.02 H new ATOM 0 HA LEU A 30 1.004 5.480 -14.141 1.00 0.93 H new ATOM 0 HB2 LEU A 30 2.767 4.922 -11.722 1.00 0.86 H new ATOM 0 HB3 LEU A 30 1.375 3.963 -12.183 1.00 0.86 H new ATOM 0 HG LEU A 30 3.979 4.304 -13.587 1.00 1.15 H new ATOM 0 HD11 LEU A 30 3.978 1.763 -13.416 1.00 1.97 H new ATOM 0 HD12 LEU A 30 3.843 2.549 -11.825 1.00 1.97 H new ATOM 0 HD13 LEU A 30 2.398 1.859 -12.602 1.00 1.97 H new ATOM 0 HD21 LEU A 30 3.265 2.821 -15.411 1.00 1.79 H new ATOM 0 HD22 LEU A 30 1.591 2.936 -14.818 1.00 1.79 H new ATOM 0 HD23 LEU A 30 2.429 4.393 -15.402 1.00 1.79 H new ATOM 438 N ARG A 31 -0.537 5.929 -12.112 1.00 0.86 N ATOM 439 CA ARG A 31 -1.531 6.278 -11.085 1.00 0.83 C ATOM 440 C ARG A 31 -2.132 4.987 -10.513 1.00 0.71 C ATOM 441 O ARG A 31 -2.845 4.273 -11.220 1.00 0.70 O ATOM 442 CB ARG A 31 -2.577 7.251 -11.667 1.00 0.94 C ATOM 443 CG ARG A 31 -3.389 7.995 -10.587 1.00 1.13 C ATOM 444 CD ARG A 31 -4.056 9.301 -11.062 1.00 1.25 C ATOM 445 NE ARG A 31 -3.117 10.448 -11.140 1.00 2.33 N ATOM 446 CZ ARG A 31 -2.978 11.330 -12.125 1.00 2.44 C ATOM 447 NH1 ARG A 31 -3.648 11.236 -13.257 1.00 1.95 N ATOM 448 NH2 ARG A 31 -2.142 12.333 -11.981 1.00 3.71 N ATOM 0 H ARG A 31 -0.864 5.195 -12.740 1.00 0.86 H new ATOM 0 HA ARG A 31 -1.065 6.807 -10.254 1.00 0.83 H new ATOM 0 HB2 ARG A 31 -2.071 7.982 -12.298 1.00 0.94 H new ATOM 0 HB3 ARG A 31 -3.262 6.696 -12.308 1.00 0.94 H new ATOM 0 HG2 ARG A 31 -4.162 7.326 -10.209 1.00 1.13 H new ATOM 0 HG3 ARG A 31 -2.729 8.224 -9.750 1.00 1.13 H new ATOM 0 HD2 ARG A 31 -4.500 9.137 -12.044 1.00 1.25 H new ATOM 0 HD3 ARG A 31 -4.870 9.553 -10.382 1.00 1.25 H new ATOM 0 HE ARG A 31 -2.501 10.575 -10.337 1.00 2.33 H new ATOM 0 HH11 ARG A 31 -4.301 10.466 -13.401 1.00 1.95 H new ATOM 0 HH12 ARG A 31 -3.513 11.934 -13.989 1.00 1.95 H new ATOM 0 HH21 ARG A 31 -1.606 12.430 -11.119 1.00 3.71 H new ATOM 0 HH22 ARG A 31 -2.029 13.014 -12.731 1.00 3.71 H new ATOM 462 N LEU A 32 -1.768 4.651 -9.276 1.00 0.67 N ATOM 463 CA LEU A 32 -2.145 3.443 -8.533 1.00 0.56 C ATOM 464 C LEU A 32 -3.485 3.691 -7.834 1.00 0.51 C ATOM 465 O LEU A 32 -3.564 4.545 -6.960 1.00 0.58 O ATOM 466 CB LEU A 32 -1.008 3.162 -7.530 1.00 0.57 C ATOM 467 CG LEU A 32 -1.213 1.951 -6.589 1.00 0.50 C ATOM 468 CD1 LEU A 32 -0.995 0.620 -7.318 1.00 0.65 C ATOM 469 CD2 LEU A 32 -0.224 2.044 -5.418 1.00 0.70 C ATOM 0 H LEU A 32 -1.159 5.257 -8.726 1.00 0.67 H new ATOM 0 HA LEU A 32 -2.274 2.576 -9.181 1.00 0.56 H new ATOM 0 HB2 LEU A 32 -0.086 3.008 -8.091 1.00 0.57 H new ATOM 0 HB3 LEU A 32 -0.864 4.052 -6.917 1.00 0.57 H new ATOM 0 HG LEU A 32 -2.242 1.979 -6.230 1.00 0.50 H new ATOM 0 HD11 LEU A 32 -1.148 -0.205 -6.622 1.00 0.65 H new ATOM 0 HD12 LEU A 32 -1.703 0.536 -8.142 1.00 0.65 H new ATOM 0 HD13 LEU A 32 0.022 0.581 -7.708 1.00 0.65 H new ATOM 0 HD21 LEU A 32 -0.366 1.192 -4.753 1.00 0.70 H new ATOM 0 HD22 LEU A 32 0.796 2.038 -5.802 1.00 0.70 H new ATOM 0 HD23 LEU A 32 -0.399 2.968 -4.866 1.00 0.70 H new ATOM 481 N VAL A 33 -4.522 2.946 -8.203 1.00 0.47 N ATOM 482 CA VAL A 33 -5.914 3.161 -7.745 1.00 0.46 C ATOM 483 C VAL A 33 -6.355 2.141 -6.679 1.00 0.48 C ATOM 484 O VAL A 33 -7.373 2.332 -6.016 1.00 0.51 O ATOM 485 CB VAL A 33 -6.913 3.186 -8.931 1.00 0.49 C ATOM 486 CG1 VAL A 33 -6.589 4.338 -9.902 1.00 0.53 C ATOM 487 CG2 VAL A 33 -6.953 1.882 -9.749 1.00 0.54 C ATOM 0 H VAL A 33 -4.429 2.156 -8.842 1.00 0.47 H new ATOM 0 HA VAL A 33 -5.926 4.143 -7.272 1.00 0.46 H new ATOM 0 HB VAL A 33 -7.888 3.322 -8.464 1.00 0.49 H new ATOM 0 HG11 VAL A 33 -7.304 4.333 -10.724 1.00 0.53 H new ATOM 0 HG12 VAL A 33 -6.652 5.289 -9.372 1.00 0.53 H new ATOM 0 HG13 VAL A 33 -5.581 4.208 -10.297 1.00 0.53 H new ATOM 0 HG21 VAL A 33 -7.676 1.982 -10.559 1.00 0.54 H new ATOM 0 HG22 VAL A 33 -5.966 1.684 -10.166 1.00 0.54 H new ATOM 0 HG23 VAL A 33 -7.246 1.055 -9.102 1.00 0.54 H new ATOM 497 N GLY A 34 -5.580 1.063 -6.499 1.00 0.50 N ATOM 498 CA GLY A 34 -5.807 0.016 -5.504 1.00 0.57 C ATOM 499 C GLY A 34 -4.834 -1.149 -5.680 1.00 0.58 C ATOM 500 O GLY A 34 -3.877 -1.052 -6.443 1.00 0.53 O ATOM 0 H GLY A 34 -4.748 0.894 -7.065 1.00 0.50 H new ATOM 0 HA2 GLY A 34 -5.697 0.434 -4.503 1.00 0.57 H new ATOM 0 HA3 GLY A 34 -6.831 -0.349 -5.586 1.00 0.57 H new ATOM 504 N ALA A 35 -5.077 -2.260 -4.982 1.00 0.69 N ATOM 505 CA ALA A 35 -4.409 -3.548 -5.192 1.00 0.71 C ATOM 506 C ALA A 35 -5.276 -4.715 -4.676 1.00 0.78 C ATOM 507 O ALA A 35 -6.173 -4.493 -3.864 1.00 1.17 O ATOM 508 CB ALA A 35 -3.023 -3.526 -4.545 1.00 1.03 C ATOM 0 H ALA A 35 -5.766 -2.290 -4.231 1.00 0.69 H new ATOM 0 HA ALA A 35 -4.276 -3.710 -6.262 1.00 0.71 H new ATOM 0 HB1 ALA A 35 -2.532 -4.486 -4.704 1.00 1.03 H new ATOM 0 HB2 ALA A 35 -2.425 -2.733 -4.994 1.00 1.03 H new ATOM 0 HB3 ALA A 35 -3.124 -3.343 -3.475 1.00 1.03 H new ATOM 514 N ARG A 36 -5.055 -5.955 -5.127 1.00 0.74 N ATOM 515 CA ARG A 36 -5.895 -7.116 -4.751 1.00 0.71 C ATOM 516 C ARG A 36 -5.020 -8.288 -4.334 1.00 0.70 C ATOM 517 O ARG A 36 -4.021 -8.552 -4.985 1.00 0.86 O ATOM 518 CB ARG A 36 -6.808 -7.564 -5.907 1.00 0.84 C ATOM 519 CG ARG A 36 -7.780 -6.497 -6.425 1.00 1.74 C ATOM 520 CD ARG A 36 -8.774 -5.978 -5.377 1.00 3.06 C ATOM 521 NE ARG A 36 -9.594 -7.059 -4.789 1.00 3.72 N ATOM 522 CZ ARG A 36 -9.713 -7.376 -3.501 1.00 5.25 C ATOM 523 NH1 ARG A 36 -9.014 -6.806 -2.544 1.00 6.43 N ATOM 524 NH2 ARG A 36 -10.578 -8.289 -3.124 1.00 6.28 N ATOM 0 H ARG A 36 -4.292 -6.190 -5.762 1.00 0.74 H new ATOM 0 HA ARG A 36 -6.522 -6.799 -3.918 1.00 0.71 H new ATOM 0 HB2 ARG A 36 -6.182 -7.895 -6.736 1.00 0.84 H new ATOM 0 HB3 ARG A 36 -7.385 -8.429 -5.579 1.00 0.84 H new ATOM 0 HG2 ARG A 36 -7.204 -5.655 -6.809 1.00 1.74 H new ATOM 0 HG3 ARG A 36 -8.339 -6.910 -7.264 1.00 1.74 H new ATOM 0 HD2 ARG A 36 -8.227 -5.469 -4.583 1.00 3.06 H new ATOM 0 HD3 ARG A 36 -9.429 -5.239 -5.838 1.00 3.06 H new ATOM 0 HE ARG A 36 -10.130 -7.627 -5.445 1.00 3.72 H new ATOM 0 HH11 ARG A 36 -8.336 -6.078 -2.772 1.00 6.43 H new ATOM 0 HH12 ARG A 36 -9.149 -7.092 -1.574 1.00 6.43 H new ATOM 0 HH21 ARG A 36 -11.161 -8.757 -3.818 1.00 6.28 H new ATOM 0 HH22 ARG A 36 -10.667 -8.530 -2.137 1.00 6.28 H new ATOM 538 N THR A 37 -5.381 -8.982 -3.257 1.00 0.61 N ATOM 539 CA THR A 37 -4.591 -10.064 -2.650 1.00 0.60 C ATOM 540 C THR A 37 -5.537 -11.186 -2.214 1.00 0.60 C ATOM 541 O THR A 37 -6.690 -10.872 -1.913 1.00 0.62 O ATOM 542 CB THR A 37 -3.789 -9.531 -1.468 1.00 0.64 C ATOM 543 OG1 THR A 37 -3.013 -10.589 -0.963 1.00 0.76 O ATOM 544 CG2 THR A 37 -4.603 -8.928 -0.327 1.00 0.65 C ATOM 0 H THR A 37 -6.256 -8.806 -2.764 1.00 0.61 H new ATOM 0 HA THR A 37 -3.883 -10.460 -3.378 1.00 0.60 H new ATOM 0 HB THR A 37 -3.195 -8.704 -1.856 1.00 0.64 H new ATOM 0 HG1 THR A 37 -2.246 -10.743 -1.553 1.00 0.76 H new ATOM 0 HG21 THR A 37 -3.930 -8.582 0.457 1.00 0.65 H new ATOM 0 HG22 THR A 37 -5.186 -8.087 -0.701 1.00 0.65 H new ATOM 0 HG23 THR A 37 -5.275 -9.684 0.079 1.00 0.65 H new ATOM 552 N PRO A 38 -5.086 -12.451 -2.096 1.00 0.66 N ATOM 553 CA PRO A 38 -5.793 -13.451 -1.306 1.00 0.73 C ATOM 554 C PRO A 38 -5.801 -13.134 0.194 1.00 0.84 C ATOM 555 O PRO A 38 -6.764 -13.491 0.863 1.00 1.04 O ATOM 556 CB PRO A 38 -5.059 -14.767 -1.576 1.00 0.84 C ATOM 557 CG PRO A 38 -3.646 -14.342 -1.965 1.00 0.80 C ATOM 558 CD PRO A 38 -3.901 -13.035 -2.710 1.00 0.76 C ATOM 0 HA PRO A 38 -6.844 -13.487 -1.591 1.00 0.73 H new ATOM 0 HB2 PRO A 38 -5.053 -15.406 -0.693 1.00 0.84 H new ATOM 0 HB3 PRO A 38 -5.538 -15.332 -2.376 1.00 0.84 H new ATOM 0 HG2 PRO A 38 -3.009 -14.197 -1.093 1.00 0.80 H new ATOM 0 HG3 PRO A 38 -3.157 -15.083 -2.597 1.00 0.80 H new ATOM 0 HD2 PRO A 38 -3.046 -12.364 -2.626 1.00 0.76 H new ATOM 0 HD3 PRO A 38 -4.061 -13.216 -3.773 1.00 0.76 H new ATOM 566 N VAL A 39 -4.761 -12.480 0.734 1.00 0.90 N ATOM 567 CA VAL A 39 -4.573 -12.382 2.202 1.00 1.06 C ATOM 568 C VAL A 39 -5.485 -11.357 2.905 1.00 1.12 C ATOM 569 O VAL A 39 -5.340 -11.141 4.107 1.00 1.40 O ATOM 570 CB VAL A 39 -3.090 -12.220 2.639 1.00 1.16 C ATOM 571 CG1 VAL A 39 -2.196 -13.203 1.867 1.00 1.15 C ATOM 572 CG2 VAL A 39 -2.529 -10.789 2.519 1.00 1.19 C ATOM 0 H VAL A 39 -4.039 -12.012 0.187 1.00 0.90 H new ATOM 0 HA VAL A 39 -4.901 -13.360 2.553 1.00 1.06 H new ATOM 0 HB VAL A 39 -3.080 -12.448 3.705 1.00 1.16 H new ATOM 0 HG11 VAL A 39 -1.160 -13.078 2.183 1.00 1.15 H new ATOM 0 HG12 VAL A 39 -2.517 -14.224 2.071 1.00 1.15 H new ATOM 0 HG13 VAL A 39 -2.275 -13.005 0.798 1.00 1.15 H new ATOM 0 HG21 VAL A 39 -1.489 -10.777 2.847 1.00 1.19 H new ATOM 0 HG22 VAL A 39 -2.586 -10.462 1.481 1.00 1.19 H new ATOM 0 HG23 VAL A 39 -3.114 -10.115 3.145 1.00 1.19 H new ATOM 582 N ALA A 40 -6.432 -10.739 2.189 1.00 0.92 N ATOM 583 CA ALA A 40 -7.360 -9.724 2.690 1.00 0.91 C ATOM 584 C ALA A 40 -8.598 -9.608 1.795 1.00 0.94 C ATOM 585 O ALA A 40 -8.528 -9.955 0.617 1.00 1.19 O ATOM 586 CB ALA A 40 -6.638 -8.379 2.784 1.00 1.02 C ATOM 0 H ALA A 40 -6.577 -10.944 1.200 1.00 0.92 H new ATOM 0 HA ALA A 40 -7.701 -10.024 3.681 1.00 0.91 H new ATOM 0 HB1 ALA A 40 -7.327 -7.621 3.157 1.00 1.02 H new ATOM 0 HB2 ALA A 40 -5.792 -8.467 3.466 1.00 1.02 H new ATOM 0 HB3 ALA A 40 -6.279 -8.089 1.796 1.00 1.02 H new ATOM 592 N GLU A 41 -9.714 -9.109 2.335 1.00 0.87 N ATOM 593 CA GLU A 41 -10.959 -8.980 1.582 1.00 0.98 C ATOM 594 C GLU A 41 -11.011 -7.643 0.826 1.00 1.01 C ATOM 595 O GLU A 41 -10.647 -7.579 -0.355 1.00 1.34 O ATOM 596 CB GLU A 41 -12.165 -9.235 2.512 1.00 0.99 C ATOM 597 CG GLU A 41 -13.493 -9.411 1.762 1.00 1.24 C ATOM 598 CD GLU A 41 -13.420 -10.613 0.824 1.00 2.01 C ATOM 599 OE1 GLU A 41 -12.908 -10.446 -0.307 1.00 2.91 O ATOM 600 OE2 GLU A 41 -13.670 -11.750 1.275 1.00 2.71 O ATOM 0 H GLU A 41 -9.777 -8.786 3.300 1.00 0.87 H new ATOM 0 HA GLU A 41 -11.005 -9.744 0.806 1.00 0.98 H new ATOM 0 HB2 GLU A 41 -11.972 -10.128 3.107 1.00 0.99 H new ATOM 0 HB3 GLU A 41 -12.258 -8.402 3.209 1.00 0.99 H new ATOM 0 HG2 GLU A 41 -14.306 -9.548 2.476 1.00 1.24 H new ATOM 0 HG3 GLU A 41 -13.718 -8.510 1.192 1.00 1.24 H new ATOM 607 N ARG A 42 -11.387 -6.550 1.505 1.00 0.88 N ATOM 608 CA ARG A 42 -11.349 -5.220 0.895 1.00 1.03 C ATOM 609 C ARG A 42 -9.904 -4.742 0.728 1.00 1.21 C ATOM 610 O ARG A 42 -8.988 -5.182 1.421 1.00 1.77 O ATOM 611 CB ARG A 42 -12.207 -4.186 1.658 1.00 1.18 C ATOM 612 CG ARG A 42 -11.574 -3.687 2.968 1.00 2.05 C ATOM 613 CD ARG A 42 -12.323 -2.504 3.596 1.00 1.97 C ATOM 614 NE ARG A 42 -13.644 -2.881 4.128 1.00 2.40 N ATOM 615 CZ ARG A 42 -14.531 -2.034 4.643 1.00 2.83 C ATOM 616 NH1 ARG A 42 -14.289 -0.745 4.768 1.00 3.06 N ATOM 617 NH2 ARG A 42 -15.699 -2.501 5.035 1.00 3.82 N ATOM 0 H ARG A 42 -11.718 -6.563 2.470 1.00 0.88 H new ATOM 0 HA ARG A 42 -11.797 -5.310 -0.095 1.00 1.03 H new ATOM 0 HB2 ARG A 42 -12.390 -3.331 1.007 1.00 1.18 H new ATOM 0 HB3 ARG A 42 -13.177 -4.630 1.882 1.00 1.18 H new ATOM 0 HG2 ARG A 42 -11.543 -4.509 3.684 1.00 2.05 H new ATOM 0 HG3 ARG A 42 -10.542 -3.393 2.775 1.00 2.05 H new ATOM 0 HD2 ARG A 42 -11.719 -2.084 4.400 1.00 1.97 H new ATOM 0 HD3 ARG A 42 -12.448 -1.721 2.848 1.00 1.97 H new ATOM 0 HE ARG A 42 -13.898 -3.868 4.099 1.00 2.40 H new ATOM 0 HH11 ARG A 42 -13.394 -0.362 4.464 1.00 3.06 H new ATOM 0 HH12 ARG A 42 -14.997 -0.130 5.168 1.00 3.06 H new ATOM 0 HH21 ARG A 42 -15.909 -3.495 4.941 1.00 3.82 H new ATOM 0 HH22 ARG A 42 -16.394 -1.869 5.433 1.00 3.82 H new ATOM 631 N VAL A 43 -9.756 -3.757 -0.148 1.00 0.99 N ATOM 632 CA VAL A 43 -8.614 -2.846 -0.179 1.00 1.00 C ATOM 633 C VAL A 43 -9.136 -1.420 -0.037 1.00 0.82 C ATOM 634 O VAL A 43 -10.141 -1.068 -0.653 1.00 1.13 O ATOM 635 CB VAL A 43 -7.777 -3.011 -1.470 1.00 1.65 C ATOM 636 CG1 VAL A 43 -8.528 -2.601 -2.756 1.00 2.20 C ATOM 637 CG2 VAL A 43 -6.452 -2.243 -1.353 1.00 1.54 C ATOM 0 H VAL A 43 -10.443 -3.563 -0.876 1.00 0.99 H new ATOM 0 HA VAL A 43 -7.944 -3.081 0.648 1.00 1.00 H new ATOM 0 HB VAL A 43 -7.576 -4.078 -1.565 1.00 1.65 H new ATOM 0 HG11 VAL A 43 -7.877 -2.744 -3.619 1.00 2.20 H new ATOM 0 HG12 VAL A 43 -9.420 -3.217 -2.868 1.00 2.20 H new ATOM 0 HG13 VAL A 43 -8.817 -1.552 -2.690 1.00 2.20 H new ATOM 0 HG21 VAL A 43 -5.876 -2.370 -2.270 1.00 1.54 H new ATOM 0 HG22 VAL A 43 -6.658 -1.184 -1.197 1.00 1.54 H new ATOM 0 HG23 VAL A 43 -5.881 -2.629 -0.509 1.00 1.54 H new ATOM 647 N GLU A 44 -8.433 -0.615 0.750 1.00 0.64 N ATOM 648 CA GLU A 44 -8.489 0.843 0.730 1.00 0.63 C ATOM 649 C GLU A 44 -7.037 1.333 0.738 1.00 0.53 C ATOM 650 O GLU A 44 -6.291 0.965 1.641 1.00 0.55 O ATOM 651 CB GLU A 44 -9.181 1.360 2.001 1.00 0.62 C ATOM 652 CG GLU A 44 -10.672 1.034 2.123 1.00 0.79 C ATOM 653 CD GLU A 44 -11.164 1.312 3.545 1.00 1.14 C ATOM 654 OE1 GLU A 44 -10.777 2.362 4.112 1.00 2.16 O ATOM 655 OE2 GLU A 44 -11.928 0.456 4.059 1.00 2.20 O ATOM 0 H GLU A 44 -7.782 -0.974 1.448 1.00 0.64 H new ATOM 0 HA GLU A 44 -9.041 1.196 -0.141 1.00 0.63 H new ATOM 0 HB2 GLU A 44 -8.665 0.946 2.868 1.00 0.62 H new ATOM 0 HB3 GLU A 44 -9.060 2.442 2.044 1.00 0.62 H new ATOM 0 HG2 GLU A 44 -11.241 1.632 1.411 1.00 0.79 H new ATOM 0 HG3 GLU A 44 -10.844 -0.012 1.870 1.00 0.79 H new ATOM 662 N LEU A 45 -6.598 2.151 -0.226 1.00 0.50 N ATOM 663 CA LEU A 45 -5.340 2.864 -0.087 1.00 0.50 C ATOM 664 C LEU A 45 -5.563 4.124 0.754 1.00 0.47 C ATOM 665 O LEU A 45 -6.379 4.986 0.417 1.00 0.47 O ATOM 666 CB LEU A 45 -4.773 3.129 -1.485 1.00 0.54 C ATOM 667 CG LEU A 45 -3.288 3.511 -1.410 1.00 0.60 C ATOM 668 CD1 LEU A 45 -2.579 3.094 -2.686 1.00 0.59 C ATOM 669 CD2 LEU A 45 -3.070 5.012 -1.310 1.00 0.72 C ATOM 0 H LEU A 45 -7.095 2.329 -1.099 1.00 0.50 H new ATOM 0 HA LEU A 45 -4.594 2.276 0.447 1.00 0.50 H new ATOM 0 HB2 LEU A 45 -4.893 2.241 -2.105 1.00 0.54 H new ATOM 0 HB3 LEU A 45 -5.335 3.931 -1.964 1.00 0.54 H new ATOM 0 HG LEU A 45 -2.903 3.010 -0.522 1.00 0.60 H new ATOM 0 HD11 LEU A 45 -1.526 3.369 -2.624 1.00 0.59 H new ATOM 0 HD12 LEU A 45 -2.665 2.015 -2.814 1.00 0.59 H new ATOM 0 HD13 LEU A 45 -3.036 3.598 -3.538 1.00 0.59 H new ATOM 0 HD21 LEU A 45 -2.002 5.222 -1.260 1.00 0.72 H new ATOM 0 HD22 LEU A 45 -3.495 5.501 -2.187 1.00 0.72 H new ATOM 0 HD23 LEU A 45 -3.557 5.391 -0.411 1.00 0.72 H new ATOM 681 N HIS A 46 -4.831 4.213 1.861 1.00 0.49 N ATOM 682 CA HIS A 46 -4.820 5.358 2.767 1.00 0.51 C ATOM 683 C HIS A 46 -3.541 6.213 2.618 1.00 0.52 C ATOM 684 O HIS A 46 -2.490 5.746 2.170 1.00 0.49 O ATOM 685 CB HIS A 46 -4.991 4.889 4.230 1.00 0.54 C ATOM 686 CG HIS A 46 -6.383 4.542 4.718 1.00 0.56 C ATOM 687 ND1 HIS A 46 -6.797 4.667 6.048 1.00 0.61 N ATOM 688 CD2 HIS A 46 -7.436 4.066 3.990 1.00 0.59 C ATOM 689 CE1 HIS A 46 -8.062 4.213 6.087 1.00 0.65 C ATOM 690 NE2 HIS A 46 -8.467 3.824 4.870 1.00 0.64 N ATOM 0 H HIS A 46 -4.208 3.464 2.162 1.00 0.49 H new ATOM 0 HA HIS A 46 -5.663 5.993 2.494 1.00 0.51 H new ATOM 0 HB2 HIS A 46 -4.361 4.011 4.373 1.00 0.54 H new ATOM 0 HB3 HIS A 46 -4.598 5.673 4.878 1.00 0.54 H new ATOM 0 HD2 HIS A 46 -7.456 3.909 2.922 1.00 0.59 H new ATOM 0 HE1 HIS A 46 -8.670 4.168 6.979 1.00 0.65 H new ATOM 0 HE2 HIS A 46 -9.375 3.421 4.638 1.00 0.64 H new ATOM 698 N GLU A 47 -3.655 7.470 3.047 1.00 0.59 N ATOM 699 CA GLU A 47 -2.593 8.469 3.183 1.00 0.58 C ATOM 700 C GLU A 47 -2.201 8.685 4.660 1.00 0.55 C ATOM 701 O GLU A 47 -2.745 8.063 5.579 1.00 0.60 O ATOM 702 CB GLU A 47 -3.061 9.797 2.538 1.00 0.76 C ATOM 703 CG GLU A 47 -4.138 10.540 3.357 1.00 0.88 C ATOM 704 CD GLU A 47 -4.692 11.791 2.674 1.00 1.17 C ATOM 705 OE1 GLU A 47 -3.901 12.536 2.068 1.00 1.61 O ATOM 706 OE2 GLU A 47 -5.916 12.037 2.811 1.00 2.21 O ATOM 0 H GLU A 47 -4.560 7.845 3.330 1.00 0.59 H new ATOM 0 HA GLU A 47 -1.703 8.106 2.668 1.00 0.58 H new ATOM 0 HB2 GLU A 47 -2.199 10.452 2.410 1.00 0.76 H new ATOM 0 HB3 GLU A 47 -3.454 9.588 1.543 1.00 0.76 H new ATOM 0 HG2 GLU A 47 -4.962 9.855 3.559 1.00 0.88 H new ATOM 0 HG3 GLU A 47 -3.715 10.823 4.321 1.00 0.88 H new ATOM 713 N THR A 48 -1.304 9.642 4.894 1.00 0.76 N ATOM 714 CA THR A 48 -1.159 10.400 6.138 1.00 1.05 C ATOM 715 C THR A 48 -1.001 11.864 5.735 1.00 1.34 C ATOM 716 O THR A 48 0.061 12.253 5.255 1.00 1.44 O ATOM 717 CB THR A 48 0.047 9.920 6.943 1.00 1.38 C ATOM 718 OG1 THR A 48 -0.152 8.553 7.199 1.00 1.40 O ATOM 719 CG2 THR A 48 0.174 10.646 8.281 1.00 1.74 C ATOM 0 H THR A 48 -0.625 9.924 4.187 1.00 0.76 H new ATOM 0 HA THR A 48 -2.029 10.261 6.780 1.00 1.05 H new ATOM 0 HB THR A 48 0.956 10.117 6.374 1.00 1.38 H new ATOM 0 HG1 THR A 48 0.516 8.240 7.844 1.00 1.40 H new ATOM 0 HG21 THR A 48 1.046 10.271 8.817 1.00 1.74 H new ATOM 0 HG22 THR A 48 0.289 11.716 8.105 1.00 1.74 H new ATOM 0 HG23 THR A 48 -0.722 10.470 8.877 1.00 1.74 H new ATOM 727 N PHE A 49 -2.048 12.672 5.896 1.00 1.65 N ATOM 728 CA PHE A 49 -2.012 14.097 5.570 1.00 1.83 C ATOM 729 C PHE A 49 -1.437 14.907 6.735 1.00 1.77 C ATOM 730 O PHE A 49 -1.631 14.561 7.902 1.00 1.76 O ATOM 731 CB PHE A 49 -3.412 14.594 5.172 1.00 1.85 C ATOM 732 CG PHE A 49 -4.487 14.446 6.237 1.00 1.65 C ATOM 733 CD1 PHE A 49 -4.628 15.425 7.239 1.00 2.30 C ATOM 734 CD2 PHE A 49 -5.334 13.323 6.244 1.00 2.26 C ATOM 735 CE1 PHE A 49 -5.600 15.283 8.242 1.00 2.27 C ATOM 736 CE2 PHE A 49 -6.297 13.171 7.256 1.00 2.11 C ATOM 737 CZ PHE A 49 -6.433 14.154 8.247 1.00 1.40 C ATOM 0 H PHE A 49 -2.948 12.356 6.257 1.00 1.65 H new ATOM 0 HA PHE A 49 -1.352 14.241 4.715 1.00 1.83 H new ATOM 0 HB2 PHE A 49 -3.340 15.646 4.897 1.00 1.85 H new ATOM 0 HB3 PHE A 49 -3.731 14.053 4.281 1.00 1.85 H new ATOM 0 HD1 PHE A 49 -3.984 16.292 7.236 1.00 2.30 H new ATOM 0 HD2 PHE A 49 -5.244 12.576 5.470 1.00 2.26 H new ATOM 0 HE1 PHE A 49 -5.706 16.039 9.006 1.00 2.27 H new ATOM 0 HE2 PHE A 49 -6.932 12.298 7.271 1.00 2.11 H new ATOM 0 HZ PHE A 49 -7.182 14.041 9.017 1.00 1.40 H new ATOM 747 N MET A 50 -0.791 16.032 6.423 1.00 1.81 N ATOM 748 CA MET A 50 -0.343 17.029 7.408 1.00 1.75 C ATOM 749 C MET A 50 -1.217 18.288 7.347 1.00 1.72 C ATOM 750 O MET A 50 -1.574 18.748 6.262 1.00 2.11 O ATOM 751 CB MET A 50 1.155 17.334 7.243 1.00 1.98 C ATOM 752 CG MET A 50 1.559 17.897 5.875 1.00 3.23 C ATOM 753 SD MET A 50 3.323 18.296 5.795 1.00 3.57 S ATOM 754 CE MET A 50 3.436 18.775 4.055 1.00 4.33 C ATOM 0 H MET A 50 -0.558 16.284 5.462 1.00 1.81 H new ATOM 0 HA MET A 50 -0.465 16.611 8.407 1.00 1.75 H new ATOM 0 HB2 MET A 50 1.452 18.046 8.013 1.00 1.98 H new ATOM 0 HB3 MET A 50 1.718 16.418 7.422 1.00 1.98 H new ATOM 0 HG2 MET A 50 1.317 17.171 5.099 1.00 3.23 H new ATOM 0 HG3 MET A 50 0.975 18.794 5.666 1.00 3.23 H new ATOM 0 HE1 MET A 50 4.463 19.056 3.821 1.00 4.33 H new ATOM 0 HE2 MET A 50 3.137 17.936 3.427 1.00 4.33 H new ATOM 0 HE3 MET A 50 2.776 19.622 3.867 1.00 4.33 H new ATOM 764 N ARG A 51 -1.614 18.816 8.512 1.00 1.50 N ATOM 765 CA ARG A 51 -2.570 19.919 8.645 1.00 1.52 C ATOM 766 C ARG A 51 -2.550 20.570 10.039 1.00 1.46 C ATOM 767 O ARG A 51 -1.703 20.261 10.878 1.00 1.65 O ATOM 768 CB ARG A 51 -3.971 19.418 8.227 1.00 1.69 C ATOM 769 CG ARG A 51 -4.764 20.477 7.445 1.00 2.94 C ATOM 770 CD ARG A 51 -5.669 19.793 6.420 1.00 3.32 C ATOM 771 NE ARG A 51 -6.418 20.795 5.635 1.00 4.49 N ATOM 772 CZ ARG A 51 -6.676 20.772 4.329 1.00 5.59 C ATOM 773 NH1 ARG A 51 -6.302 19.780 3.546 1.00 5.98 N ATOM 774 NH2 ARG A 51 -7.325 21.772 3.771 1.00 6.68 N ATOM 0 H ARG A 51 -1.269 18.478 9.410 1.00 1.50 H new ATOM 0 HA ARG A 51 -2.273 20.725 7.974 1.00 1.52 H new ATOM 0 HB2 ARG A 51 -3.866 18.522 7.615 1.00 1.69 H new ATOM 0 HB3 ARG A 51 -4.532 19.132 9.117 1.00 1.69 H new ATOM 0 HG2 ARG A 51 -5.363 21.076 8.131 1.00 2.94 H new ATOM 0 HG3 ARG A 51 -4.079 21.159 6.941 1.00 2.94 H new ATOM 0 HD2 ARG A 51 -5.069 19.175 5.752 1.00 3.32 H new ATOM 0 HD3 ARG A 51 -6.366 19.128 6.929 1.00 3.32 H new ATOM 0 HE ARG A 51 -6.779 21.596 6.153 1.00 4.49 H new ATOM 0 HH11 ARG A 51 -5.793 18.987 3.936 1.00 5.98 H new ATOM 0 HH12 ARG A 51 -6.522 19.805 2.550 1.00 5.98 H new ATOM 0 HH21 ARG A 51 -7.629 22.563 4.339 1.00 6.68 H new ATOM 0 HH22 ARG A 51 -7.524 21.756 2.771 1.00 6.68 H new ATOM 788 N GLU A 52 -3.492 21.478 10.270 1.00 1.56 N ATOM 789 CA GLU A 52 -3.624 22.384 11.406 1.00 1.58 C ATOM 790 C GLU A 52 -5.070 22.900 11.392 1.00 2.10 C ATOM 791 O GLU A 52 -5.671 22.989 10.321 1.00 2.40 O ATOM 792 CB GLU A 52 -2.523 23.451 11.341 1.00 1.34 C ATOM 793 CG GLU A 52 -2.988 24.883 11.518 1.00 2.72 C ATOM 794 CD GLU A 52 -1.778 25.810 11.426 1.00 3.69 C ATOM 795 OE1 GLU A 52 -0.885 25.556 10.586 1.00 3.95 O ATOM 796 OE2 GLU A 52 -1.605 26.655 12.325 1.00 4.86 O ATOM 0 H GLU A 52 -4.254 21.611 9.605 1.00 1.56 H new ATOM 0 HA GLU A 52 -3.468 21.906 12.373 1.00 1.58 H new ATOM 0 HB2 GLU A 52 -1.782 23.231 12.110 1.00 1.34 H new ATOM 0 HB3 GLU A 52 -2.018 23.368 10.379 1.00 1.34 H new ATOM 0 HG2 GLU A 52 -3.719 25.140 10.751 1.00 2.72 H new ATOM 0 HG3 GLU A 52 -3.482 25.003 12.482 1.00 2.72 H new ATOM 803 N VAL A 53 -5.612 23.190 12.576 1.00 2.41 N ATOM 804 CA VAL A 53 -6.963 23.746 12.786 1.00 3.08 C ATOM 805 C VAL A 53 -7.105 24.455 14.134 1.00 2.90 C ATOM 806 O VAL A 53 -7.586 25.576 14.221 1.00 4.00 O ATOM 807 CB VAL A 53 -8.061 22.703 12.501 1.00 4.06 C ATOM 808 CG1 VAL A 53 -8.143 21.655 13.608 1.00 3.32 C ATOM 809 CG2 VAL A 53 -9.433 23.352 12.268 1.00 5.56 C ATOM 0 H VAL A 53 -5.109 23.041 13.451 1.00 2.41 H new ATOM 0 HA VAL A 53 -7.110 24.533 12.047 1.00 3.08 H new ATOM 0 HB VAL A 53 -7.775 22.200 11.577 1.00 4.06 H new ATOM 0 HG11 VAL A 53 -8.928 20.937 13.372 1.00 3.32 H new ATOM 0 HG12 VAL A 53 -7.188 21.135 13.688 1.00 3.32 H new ATOM 0 HG13 VAL A 53 -8.371 22.144 14.555 1.00 3.32 H new ATOM 0 HG21 VAL A 53 -10.174 22.577 12.071 1.00 5.56 H new ATOM 0 HG22 VAL A 53 -9.724 23.915 13.154 1.00 5.56 H new ATOM 0 HG23 VAL A 53 -9.376 24.025 11.413 1.00 5.56 H new ATOM 819 N GLU A 54 -6.541 23.830 15.159 1.00 1.99 N ATOM 820 CA GLU A 54 -6.314 24.395 16.498 1.00 1.80 C ATOM 821 C GLU A 54 -5.043 25.276 16.562 1.00 1.74 C ATOM 822 O GLU A 54 -4.519 25.526 17.644 1.00 1.89 O ATOM 823 CB GLU A 54 -6.146 23.248 17.507 1.00 1.94 C ATOM 824 CG GLU A 54 -7.278 22.222 17.594 1.00 3.39 C ATOM 825 CD GLU A 54 -6.852 21.183 18.622 1.00 3.83 C ATOM 826 OE1 GLU A 54 -6.000 20.330 18.281 1.00 4.86 O ATOM 827 OE2 GLU A 54 -7.159 21.363 19.820 1.00 3.68 O ATOM 0 H GLU A 54 -6.211 22.868 15.084 1.00 1.99 H new ATOM 0 HA GLU A 54 -7.176 25.019 16.734 1.00 1.80 H new ATOM 0 HB2 GLU A 54 -5.226 22.716 17.264 1.00 1.94 H new ATOM 0 HB3 GLU A 54 -6.010 23.685 18.496 1.00 1.94 H new ATOM 0 HG2 GLU A 54 -8.211 22.700 17.892 1.00 3.39 H new ATOM 0 HG3 GLU A 54 -7.453 21.757 16.624 1.00 3.39 H new ATOM 834 N GLY A 55 -4.436 25.603 15.413 1.00 1.64 N ATOM 835 CA GLY A 55 -3.095 26.202 15.299 1.00 1.68 C ATOM 836 C GLY A 55 -1.939 25.305 15.760 1.00 1.62 C ATOM 837 O GLY A 55 -0.772 25.603 15.513 1.00 1.86 O ATOM 0 H GLY A 55 -4.878 25.454 14.506 1.00 1.64 H new ATOM 0 HA2 GLY A 55 -2.926 26.480 14.259 1.00 1.68 H new ATOM 0 HA3 GLY A 55 -3.075 27.123 15.882 1.00 1.68 H new ATOM 841 N LYS A 56 -2.236 24.147 16.352 1.00 1.46 N ATOM 842 CA LYS A 56 -1.313 23.024 16.440 1.00 1.50 C ATOM 843 C LYS A 56 -1.195 22.383 15.054 1.00 1.54 C ATOM 844 O LYS A 56 -2.210 22.128 14.402 1.00 1.49 O ATOM 845 CB LYS A 56 -1.849 22.013 17.466 1.00 1.64 C ATOM 846 CG LYS A 56 -1.609 22.451 18.920 1.00 1.89 C ATOM 847 CD LYS A 56 -2.320 21.514 19.911 1.00 2.44 C ATOM 848 CE LYS A 56 -3.786 21.932 20.093 1.00 2.92 C ATOM 849 NZ LYS A 56 -4.644 20.816 20.552 1.00 3.58 N ATOM 0 H LYS A 56 -3.139 23.964 16.789 1.00 1.46 H new ATOM 0 HA LYS A 56 -0.327 23.356 16.764 1.00 1.50 H new ATOM 0 HB2 LYS A 56 -2.918 21.873 17.306 1.00 1.64 H new ATOM 0 HB3 LYS A 56 -1.372 21.047 17.300 1.00 1.64 H new ATOM 0 HG2 LYS A 56 -0.539 22.459 19.128 1.00 1.89 H new ATOM 0 HG3 LYS A 56 -1.968 23.471 19.059 1.00 1.89 H new ATOM 0 HD2 LYS A 56 -2.271 20.487 19.548 1.00 2.44 H new ATOM 0 HD3 LYS A 56 -1.808 21.537 20.873 1.00 2.44 H new ATOM 0 HE2 LYS A 56 -3.840 22.748 20.814 1.00 2.92 H new ATOM 0 HE3 LYS A 56 -4.170 22.316 19.148 1.00 2.92 H new ATOM 0 HZ1 LYS A 56 -5.584 21.182 20.805 1.00 3.58 H new ATOM 0 HZ2 LYS A 56 -4.739 20.115 19.790 1.00 3.58 H new ATOM 0 HZ3 LYS A 56 -4.213 20.366 21.384 1.00 3.58 H new ATOM 863 N LYS A 57 0.029 22.096 14.604 1.00 1.78 N ATOM 864 CA LYS A 57 0.239 21.235 13.433 1.00 1.80 C ATOM 865 C LYS A 57 0.074 19.758 13.850 1.00 1.66 C ATOM 866 O LYS A 57 0.450 19.391 14.961 1.00 1.83 O ATOM 867 CB LYS A 57 1.604 21.502 12.770 1.00 2.12 C ATOM 868 CG LYS A 57 1.779 22.899 12.133 1.00 3.32 C ATOM 869 CD LYS A 57 2.273 24.001 13.095 1.00 4.00 C ATOM 870 CE LYS A 57 1.201 25.041 13.444 1.00 5.25 C ATOM 871 NZ LYS A 57 1.008 26.071 12.398 1.00 5.92 N ATOM 0 H LYS A 57 0.888 22.445 15.029 1.00 1.78 H new ATOM 0 HA LYS A 57 -0.513 21.468 12.679 1.00 1.80 H new ATOM 0 HB2 LYS A 57 2.384 21.364 13.519 1.00 2.12 H new ATOM 0 HB3 LYS A 57 1.766 20.749 11.999 1.00 2.12 H new ATOM 0 HG2 LYS A 57 2.484 22.818 11.306 1.00 3.32 H new ATOM 0 HG3 LYS A 57 0.824 23.210 11.709 1.00 3.32 H new ATOM 0 HD2 LYS A 57 2.628 23.536 14.015 1.00 4.00 H new ATOM 0 HD3 LYS A 57 3.126 24.509 12.645 1.00 4.00 H new ATOM 0 HE2 LYS A 57 0.254 24.530 13.617 1.00 5.25 H new ATOM 0 HE3 LYS A 57 1.474 25.531 14.378 1.00 5.25 H new ATOM 0 HZ1 LYS A 57 0.259 26.729 12.693 1.00 5.92 H new ATOM 0 HZ2 LYS A 57 1.895 26.596 12.260 1.00 5.92 H new ATOM 0 HZ3 LYS A 57 0.734 25.612 11.506 1.00 5.92 H new ATOM 885 N VAL A 58 -0.511 18.940 12.977 1.00 1.52 N ATOM 886 CA VAL A 58 -1.017 17.579 13.242 1.00 1.48 C ATOM 887 C VAL A 58 -0.859 16.728 11.971 1.00 1.46 C ATOM 888 O VAL A 58 -0.892 17.270 10.864 1.00 1.55 O ATOM 889 CB VAL A 58 -2.507 17.632 13.678 1.00 1.59 C ATOM 890 CG1 VAL A 58 -3.131 16.242 13.902 1.00 1.69 C ATOM 891 CG2 VAL A 58 -2.713 18.449 14.968 1.00 1.87 C ATOM 0 H VAL A 58 -0.657 19.218 12.007 1.00 1.52 H new ATOM 0 HA VAL A 58 -0.443 17.129 14.052 1.00 1.48 H new ATOM 0 HB VAL A 58 -3.008 18.117 12.840 1.00 1.59 H new ATOM 0 HG11 VAL A 58 -4.172 16.355 14.204 1.00 1.69 H new ATOM 0 HG12 VAL A 58 -3.082 15.668 12.977 1.00 1.69 H new ATOM 0 HG13 VAL A 58 -2.581 15.718 14.684 1.00 1.69 H new ATOM 0 HG21 VAL A 58 -3.771 18.455 15.230 1.00 1.87 H new ATOM 0 HG22 VAL A 58 -2.141 17.998 15.779 1.00 1.87 H new ATOM 0 HG23 VAL A 58 -2.373 19.472 14.809 1.00 1.87 H new ATOM 901 N MET A 59 -0.712 15.406 12.119 1.00 1.44 N ATOM 902 CA MET A 59 -0.807 14.425 11.023 1.00 1.46 C ATOM 903 C MET A 59 -1.869 13.359 11.322 1.00 1.14 C ATOM 904 O MET A 59 -2.013 12.957 12.474 1.00 1.28 O ATOM 905 CB MET A 59 0.554 13.766 10.769 1.00 1.88 C ATOM 906 CG MET A 59 1.404 14.654 9.851 1.00 3.13 C ATOM 907 SD MET A 59 3.165 14.259 9.827 1.00 3.65 S ATOM 908 CE MET A 59 3.585 14.934 11.450 1.00 3.32 C ATOM 0 H MET A 59 -0.519 14.975 13.023 1.00 1.44 H new ATOM 0 HA MET A 59 -1.110 14.960 10.123 1.00 1.46 H new ATOM 0 HB2 MET A 59 1.072 13.606 11.715 1.00 1.88 H new ATOM 0 HB3 MET A 59 0.413 12.786 10.312 1.00 1.88 H new ATOM 0 HG2 MET A 59 1.016 14.578 8.835 1.00 3.13 H new ATOM 0 HG3 MET A 59 1.284 15.692 10.161 1.00 3.13 H new ATOM 0 HE1 MET A 59 4.305 15.744 11.332 1.00 3.32 H new ATOM 0 HE2 MET A 59 2.684 15.316 11.929 1.00 3.32 H new ATOM 0 HE3 MET A 59 4.020 14.149 12.069 1.00 3.32 H new ATOM 918 N GLY A 60 -2.602 12.903 10.299 1.00 1.05 N ATOM 919 CA GLY A 60 -3.666 11.892 10.431 1.00 0.95 C ATOM 920 C GLY A 60 -3.914 11.091 9.153 1.00 0.96 C ATOM 921 O GLY A 60 -3.560 11.537 8.066 1.00 1.46 O ATOM 0 H GLY A 60 -2.473 13.229 9.341 1.00 1.05 H new ATOM 0 HA2 GLY A 60 -3.404 11.204 11.235 1.00 0.95 H new ATOM 0 HA3 GLY A 60 -4.592 12.387 10.724 1.00 0.95 H new ATOM 925 N MET A 61 -4.520 9.909 9.277 1.00 0.72 N ATOM 926 CA MET A 61 -4.750 8.968 8.169 1.00 0.66 C ATOM 927 C MET A 61 -6.155 9.102 7.562 1.00 0.65 C ATOM 928 O MET A 61 -7.049 9.707 8.154 1.00 0.82 O ATOM 929 CB MET A 61 -4.477 7.524 8.625 1.00 0.76 C ATOM 930 CG MET A 61 -3.021 7.328 9.071 1.00 0.90 C ATOM 931 SD MET A 61 -2.621 7.869 10.754 1.00 1.59 S ATOM 932 CE MET A 61 -0.824 7.698 10.656 1.00 1.66 C ATOM 0 H MET A 61 -4.875 9.567 10.170 1.00 0.72 H new ATOM 0 HA MET A 61 -4.047 9.225 7.377 1.00 0.66 H new ATOM 0 HB2 MET A 61 -5.146 7.271 9.448 1.00 0.76 H new ATOM 0 HB3 MET A 61 -4.702 6.837 7.809 1.00 0.76 H new ATOM 0 HG2 MET A 61 -2.775 6.270 8.984 1.00 0.90 H new ATOM 0 HG3 MET A 61 -2.374 7.864 8.376 1.00 0.90 H new ATOM 0 HE1 MET A 61 -0.379 7.987 11.608 1.00 1.66 H new ATOM 0 HE2 MET A 61 -0.569 6.661 10.436 1.00 1.66 H new ATOM 0 HE3 MET A 61 -0.440 8.342 9.865 1.00 1.66 H new ATOM 942 N ARG A 62 -6.344 8.541 6.361 1.00 0.62 N ATOM 943 CA ARG A 62 -7.553 8.716 5.534 1.00 0.54 C ATOM 944 C ARG A 62 -7.462 7.873 4.249 1.00 0.50 C ATOM 945 O ARG A 62 -6.375 7.859 3.674 1.00 0.50 O ATOM 946 CB ARG A 62 -7.662 10.200 5.124 1.00 0.64 C ATOM 947 CG ARG A 62 -9.058 10.806 5.332 1.00 1.57 C ATOM 948 CD ARG A 62 -9.116 12.273 4.856 1.00 1.69 C ATOM 949 NE ARG A 62 -8.589 12.423 3.490 1.00 2.32 N ATOM 950 CZ ARG A 62 -9.049 11.821 2.408 1.00 3.13 C ATOM 951 NH1 ARG A 62 -10.268 11.332 2.324 1.00 3.63 N ATOM 952 NH2 ARG A 62 -8.219 11.646 1.415 1.00 4.35 N ATOM 0 H ARG A 62 -5.647 7.938 5.924 1.00 0.62 H new ATOM 0 HA ARG A 62 -8.420 8.399 6.113 1.00 0.54 H new ATOM 0 HB2 ARG A 62 -6.937 10.778 5.697 1.00 0.64 H new ATOM 0 HB3 ARG A 62 -7.388 10.297 4.073 1.00 0.64 H new ATOM 0 HG2 ARG A 62 -9.796 10.217 4.788 1.00 1.57 H new ATOM 0 HG3 ARG A 62 -9.324 10.754 6.388 1.00 1.57 H new ATOM 0 HD2 ARG A 62 -10.147 12.626 4.889 1.00 1.69 H new ATOM 0 HD3 ARG A 62 -8.542 12.900 5.538 1.00 1.69 H new ATOM 0 HE ARG A 62 -7.794 13.050 3.367 1.00 2.32 H new ATOM 0 HH11 ARG A 62 -10.904 11.410 3.117 1.00 3.63 H new ATOM 0 HH12 ARG A 62 -10.576 10.876 1.466 1.00 3.63 H new ATOM 0 HH21 ARG A 62 -7.255 11.970 1.493 1.00 4.35 H new ATOM 0 HH22 ARG A 62 -8.535 11.185 0.562 1.00 4.35 H new ATOM 966 N PRO A 63 -8.534 7.253 3.720 1.00 0.51 N ATOM 967 CA PRO A 63 -8.510 6.673 2.377 1.00 0.49 C ATOM 968 C PRO A 63 -8.505 7.753 1.290 1.00 0.48 C ATOM 969 O PRO A 63 -9.172 8.780 1.416 1.00 0.56 O ATOM 970 CB PRO A 63 -9.718 5.746 2.264 1.00 0.53 C ATOM 971 CG PRO A 63 -10.666 6.262 3.334 1.00 0.60 C ATOM 972 CD PRO A 63 -9.803 6.985 4.371 1.00 0.56 C ATOM 0 HA PRO A 63 -7.591 6.108 2.223 1.00 0.49 H new ATOM 0 HB2 PRO A 63 -10.168 5.794 1.273 1.00 0.53 H new ATOM 0 HB3 PRO A 63 -9.443 4.706 2.440 1.00 0.53 H new ATOM 0 HG2 PRO A 63 -11.404 6.939 2.904 1.00 0.60 H new ATOM 0 HG3 PRO A 63 -11.216 5.441 3.793 1.00 0.60 H new ATOM 0 HD2 PRO A 63 -10.278 7.911 4.696 1.00 0.56 H new ATOM 0 HD3 PRO A 63 -9.663 6.369 5.260 1.00 0.56 H new ATOM 980 N VAL A 64 -7.760 7.496 0.212 1.00 0.44 N ATOM 981 CA VAL A 64 -7.619 8.363 -0.972 1.00 0.43 C ATOM 982 C VAL A 64 -8.146 7.649 -2.227 1.00 0.42 C ATOM 983 O VAL A 64 -8.181 6.418 -2.244 1.00 0.43 O ATOM 984 CB VAL A 64 -6.147 8.786 -1.213 1.00 0.47 C ATOM 985 CG1 VAL A 64 -5.781 9.958 -0.295 1.00 0.56 C ATOM 986 CG2 VAL A 64 -5.132 7.647 -1.033 1.00 0.52 C ATOM 0 H VAL A 64 -7.211 6.640 0.132 1.00 0.44 H new ATOM 0 HA VAL A 64 -8.207 9.260 -0.778 1.00 0.43 H new ATOM 0 HB VAL A 64 -6.087 9.086 -2.259 1.00 0.47 H new ATOM 0 HG11 VAL A 64 -4.745 10.248 -0.471 1.00 0.56 H new ATOM 0 HG12 VAL A 64 -6.436 10.804 -0.506 1.00 0.56 H new ATOM 0 HG13 VAL A 64 -5.901 9.656 0.746 1.00 0.56 H new ATOM 0 HG21 VAL A 64 -4.126 8.023 -1.219 1.00 0.52 H new ATOM 0 HG22 VAL A 64 -5.193 7.263 -0.015 1.00 0.52 H new ATOM 0 HG23 VAL A 64 -5.355 6.846 -1.737 1.00 0.52 H new ATOM 996 N PRO A 65 -8.531 8.388 -3.287 1.00 0.46 N ATOM 997 CA PRO A 65 -8.969 7.788 -4.540 1.00 0.51 C ATOM 998 C PRO A 65 -7.821 7.138 -5.329 1.00 0.50 C ATOM 999 O PRO A 65 -8.111 6.331 -6.206 1.00 0.53 O ATOM 1000 CB PRO A 65 -9.612 8.934 -5.330 1.00 0.60 C ATOM 1001 CG PRO A 65 -8.858 10.167 -4.837 1.00 0.59 C ATOM 1002 CD PRO A 65 -8.621 9.843 -3.364 1.00 0.50 C ATOM 0 HA PRO A 65 -9.666 6.971 -4.353 1.00 0.51 H new ATOM 0 HB2 PRO A 65 -9.497 8.795 -6.405 1.00 0.60 H new ATOM 0 HB3 PRO A 65 -10.681 9.010 -5.131 1.00 0.60 H new ATOM 0 HG2 PRO A 65 -7.922 10.313 -5.376 1.00 0.59 H new ATOM 0 HG3 PRO A 65 -9.443 11.078 -4.963 1.00 0.59 H new ATOM 0 HD2 PRO A 65 -7.705 10.311 -3.003 1.00 0.50 H new ATOM 0 HD3 PRO A 65 -9.436 10.218 -2.745 1.00 0.50 H new ATOM 1010 N PHE A 66 -6.548 7.468 -5.041 1.00 0.51 N ATOM 1011 CA PHE A 66 -5.369 6.971 -5.749 1.00 0.54 C ATOM 1012 C PHE A 66 -4.073 7.467 -5.092 1.00 0.63 C ATOM 1013 O PHE A 66 -4.065 8.390 -4.278 1.00 0.76 O ATOM 1014 CB PHE A 66 -5.403 7.345 -7.250 1.00 0.60 C ATOM 1015 CG PHE A 66 -5.497 8.827 -7.562 1.00 0.71 C ATOM 1016 CD1 PHE A 66 -4.348 9.640 -7.521 1.00 1.93 C ATOM 1017 CD2 PHE A 66 -6.734 9.393 -7.926 1.00 1.50 C ATOM 1018 CE1 PHE A 66 -4.439 11.009 -7.826 1.00 2.01 C ATOM 1019 CE2 PHE A 66 -6.823 10.760 -8.236 1.00 1.56 C ATOM 1020 CZ PHE A 66 -5.675 11.571 -8.185 1.00 1.00 C ATOM 0 H PHE A 66 -6.312 8.109 -4.284 1.00 0.51 H new ATOM 0 HA PHE A 66 -5.388 5.883 -5.679 1.00 0.54 H new ATOM 0 HB2 PHE A 66 -4.504 6.950 -7.723 1.00 0.60 H new ATOM 0 HB3 PHE A 66 -6.253 6.842 -7.711 1.00 0.60 H new ATOM 0 HD1 PHE A 66 -3.394 9.210 -7.254 1.00 1.93 H new ATOM 0 HD2 PHE A 66 -7.618 8.774 -7.967 1.00 1.50 H new ATOM 0 HE1 PHE A 66 -3.556 11.630 -7.784 1.00 2.01 H new ATOM 0 HE2 PHE A 66 -7.774 11.189 -8.514 1.00 1.56 H new ATOM 0 HZ PHE A 66 -5.744 12.623 -8.421 1.00 1.00 H new ATOM 1030 N LEU A 67 -2.967 6.875 -5.538 1.00 0.60 N ATOM 1031 CA LEU A 67 -1.614 7.417 -5.500 1.00 0.67 C ATOM 1032 C LEU A 67 -1.085 7.539 -6.936 1.00 0.71 C ATOM 1033 O LEU A 67 -1.720 7.047 -7.866 1.00 0.68 O ATOM 1034 CB LEU A 67 -0.722 6.477 -4.665 1.00 0.69 C ATOM 1035 CG LEU A 67 -0.196 7.141 -3.387 1.00 0.74 C ATOM 1036 CD1 LEU A 67 0.674 6.098 -2.669 1.00 1.15 C ATOM 1037 CD2 LEU A 67 0.670 8.383 -3.666 1.00 0.92 C ATOM 0 H LEU A 67 -2.995 5.947 -5.961 1.00 0.60 H new ATOM 0 HA LEU A 67 -1.609 8.405 -5.040 1.00 0.67 H new ATOM 0 HB2 LEU A 67 -1.290 5.585 -4.399 1.00 0.69 H new ATOM 0 HB3 LEU A 67 0.121 6.149 -5.272 1.00 0.69 H new ATOM 0 HG LEU A 67 -1.048 7.472 -2.793 1.00 0.74 H new ATOM 0 HD11 LEU A 67 1.072 6.527 -1.750 1.00 1.15 H new ATOM 0 HD12 LEU A 67 0.070 5.223 -2.429 1.00 1.15 H new ATOM 0 HD13 LEU A 67 1.498 5.803 -3.318 1.00 1.15 H new ATOM 0 HD21 LEU A 67 1.012 8.808 -2.722 1.00 0.92 H new ATOM 0 HD22 LEU A 67 1.532 8.098 -4.269 1.00 0.92 H new ATOM 0 HD23 LEU A 67 0.080 9.124 -4.205 1.00 0.92 H new ATOM 1049 N GLU A 68 0.103 8.106 -7.138 1.00 0.81 N ATOM 1050 CA GLU A 68 0.733 8.206 -8.453 1.00 0.87 C ATOM 1051 C GLU A 68 2.250 8.250 -8.343 1.00 0.95 C ATOM 1052 O GLU A 68 2.784 8.457 -7.257 1.00 1.04 O ATOM 1053 CB GLU A 68 0.163 9.396 -9.235 1.00 1.15 C ATOM 1054 CG GLU A 68 0.587 10.776 -8.741 1.00 1.54 C ATOM 1055 CD GLU A 68 -0.247 11.795 -9.514 1.00 1.87 C ATOM 1056 OE1 GLU A 68 -1.477 11.850 -9.292 1.00 2.66 O ATOM 1057 OE2 GLU A 68 0.256 12.389 -10.489 1.00 2.49 O ATOM 0 H GLU A 68 0.660 8.513 -6.387 1.00 0.81 H new ATOM 0 HA GLU A 68 0.495 7.305 -9.019 1.00 0.87 H new ATOM 0 HB2 GLU A 68 0.460 9.297 -10.279 1.00 1.15 H new ATOM 0 HB3 GLU A 68 -0.925 9.338 -9.206 1.00 1.15 H new ATOM 0 HG2 GLU A 68 0.418 10.872 -7.668 1.00 1.54 H new ATOM 0 HG3 GLU A 68 1.651 10.938 -8.912 1.00 1.54 H new ATOM 1064 N VAL A 69 2.931 8.015 -9.466 1.00 0.98 N ATOM 1065 CA VAL A 69 4.389 7.848 -9.527 1.00 1.03 C ATOM 1066 C VAL A 69 4.932 8.383 -10.862 1.00 1.13 C ATOM 1067 O VAL A 69 4.419 7.981 -11.911 1.00 1.14 O ATOM 1068 CB VAL A 69 4.797 6.357 -9.377 1.00 0.98 C ATOM 1069 CG1 VAL A 69 6.324 6.188 -9.355 1.00 0.91 C ATOM 1070 CG2 VAL A 69 4.219 5.680 -8.125 1.00 1.09 C ATOM 0 H VAL A 69 2.479 7.933 -10.377 1.00 0.98 H new ATOM 0 HA VAL A 69 4.816 8.413 -8.699 1.00 1.03 H new ATOM 0 HB VAL A 69 4.373 5.867 -10.253 1.00 0.98 H new ATOM 0 HG11 VAL A 69 6.572 5.132 -9.249 1.00 0.91 H new ATOM 0 HG12 VAL A 69 6.746 6.568 -10.286 1.00 0.91 H new ATOM 0 HG13 VAL A 69 6.740 6.744 -8.515 1.00 0.91 H new ATOM 0 HG21 VAL A 69 4.547 4.641 -8.089 1.00 1.09 H new ATOM 0 HG22 VAL A 69 4.569 6.202 -7.235 1.00 1.09 H new ATOM 0 HG23 VAL A 69 3.130 5.715 -8.162 1.00 1.09 H new ATOM 1080 N PRO A 70 5.964 9.254 -10.866 1.00 1.23 N ATOM 1081 CA PRO A 70 6.538 9.799 -12.090 1.00 1.34 C ATOM 1082 C PRO A 70 7.445 8.778 -12.805 1.00 1.39 C ATOM 1083 O PRO A 70 7.945 7.854 -12.165 1.00 1.48 O ATOM 1084 CB PRO A 70 7.325 11.032 -11.653 1.00 1.45 C ATOM 1085 CG PRO A 70 7.790 10.661 -10.245 1.00 1.41 C ATOM 1086 CD PRO A 70 6.617 9.843 -9.702 1.00 1.29 C ATOM 0 HA PRO A 70 5.762 10.049 -12.814 1.00 1.34 H new ATOM 0 HB2 PRO A 70 8.166 11.230 -12.317 1.00 1.45 H new ATOM 0 HB3 PRO A 70 6.704 11.927 -11.650 1.00 1.45 H new ATOM 0 HG2 PRO A 70 8.713 10.081 -10.264 1.00 1.41 H new ATOM 0 HG3 PRO A 70 7.982 11.545 -9.637 1.00 1.41 H new ATOM 0 HD2 PRO A 70 6.965 9.070 -9.017 1.00 1.29 H new ATOM 0 HD3 PRO A 70 5.925 10.475 -9.145 1.00 1.29 H new ATOM 1094 N PRO A 71 7.666 8.941 -14.124 1.00 1.38 N ATOM 1095 CA PRO A 71 8.411 8.002 -14.957 1.00 1.24 C ATOM 1096 C PRO A 71 9.860 7.816 -14.510 1.00 1.13 C ATOM 1097 O PRO A 71 10.535 8.772 -14.135 1.00 1.21 O ATOM 1098 CB PRO A 71 8.280 8.509 -16.392 1.00 1.29 C ATOM 1099 CG PRO A 71 7.860 9.969 -16.266 1.00 1.46 C ATOM 1100 CD PRO A 71 7.122 10.019 -14.935 1.00 1.45 C ATOM 0 HA PRO A 71 7.996 6.998 -14.867 1.00 1.24 H new ATOM 0 HB2 PRO A 71 9.224 8.416 -16.930 1.00 1.29 H new ATOM 0 HB3 PRO A 71 7.539 7.933 -16.947 1.00 1.29 H new ATOM 0 HG2 PRO A 71 8.722 10.636 -16.271 1.00 1.46 H new ATOM 0 HG3 PRO A 71 7.217 10.273 -17.092 1.00 1.46 H new ATOM 0 HD2 PRO A 71 7.266 10.983 -14.447 1.00 1.45 H new ATOM 0 HD3 PRO A 71 6.049 9.892 -15.081 1.00 1.45 H new ATOM 1108 N LYS A 72 10.303 6.549 -14.524 1.00 0.98 N ATOM 1109 CA LYS A 72 11.625 6.058 -14.080 1.00 0.91 C ATOM 1110 C LYS A 72 11.857 6.140 -12.559 1.00 1.02 C ATOM 1111 O LYS A 72 12.867 5.652 -12.052 1.00 1.08 O ATOM 1112 CB LYS A 72 12.755 6.748 -14.863 1.00 0.94 C ATOM 1113 CG LYS A 72 12.503 6.828 -16.374 1.00 0.96 C ATOM 1114 CD LYS A 72 12.334 5.460 -17.056 1.00 0.87 C ATOM 1115 CE LYS A 72 11.855 5.677 -18.491 1.00 1.04 C ATOM 1116 NZ LYS A 72 11.603 4.405 -19.205 1.00 1.23 N ATOM 0 H LYS A 72 9.714 5.790 -14.866 1.00 0.98 H new ATOM 0 HA LYS A 72 11.636 4.992 -14.307 1.00 0.91 H new ATOM 0 HB2 LYS A 72 12.891 7.757 -14.473 1.00 0.94 H new ATOM 0 HB3 LYS A 72 13.687 6.210 -14.688 1.00 0.94 H new ATOM 0 HG2 LYS A 72 11.607 7.423 -16.551 1.00 0.96 H new ATOM 0 HG3 LYS A 72 13.334 7.355 -16.843 1.00 0.96 H new ATOM 0 HD2 LYS A 72 13.280 4.918 -17.052 1.00 0.87 H new ATOM 0 HD3 LYS A 72 11.616 4.851 -16.507 1.00 0.87 H new ATOM 0 HE2 LYS A 72 10.941 6.270 -18.479 1.00 1.04 H new ATOM 0 HE3 LYS A 72 12.602 6.254 -19.036 1.00 1.04 H new ATOM 0 HZ1 LYS A 72 10.806 4.527 -19.862 1.00 1.23 H new ATOM 0 HZ2 LYS A 72 12.453 4.132 -19.739 1.00 1.23 H new ATOM 0 HZ3 LYS A 72 11.373 3.660 -18.517 1.00 1.23 H new ATOM 1130 N GLY A 73 10.919 6.733 -11.822 1.00 1.18 N ATOM 1131 CA GLY A 73 10.942 6.920 -10.385 1.00 1.33 C ATOM 1132 C GLY A 73 10.323 5.714 -9.698 1.00 1.00 C ATOM 1133 O GLY A 73 9.279 5.211 -10.103 1.00 0.91 O ATOM 0 H GLY A 73 10.074 7.117 -12.245 1.00 1.18 H new ATOM 0 HA2 GLY A 73 11.968 7.057 -10.044 1.00 1.33 H new ATOM 0 HA3 GLY A 73 10.393 7.823 -10.118 1.00 1.33 H new ATOM 1137 N ARG A 74 10.987 5.302 -8.628 1.00 1.24 N ATOM 1138 CA ARG A 74 10.401 4.491 -7.553 1.00 1.06 C ATOM 1139 C ARG A 74 10.198 5.336 -6.291 1.00 1.25 C ATOM 1140 O ARG A 74 11.077 6.128 -5.962 1.00 1.69 O ATOM 1141 CB ARG A 74 11.173 3.173 -7.312 1.00 1.40 C ATOM 1142 CG ARG A 74 12.525 3.247 -6.567 1.00 1.52 C ATOM 1143 CD ARG A 74 13.075 1.873 -6.114 1.00 1.59 C ATOM 1144 NE ARG A 74 13.164 0.895 -7.216 1.00 2.61 N ATOM 1145 CZ ARG A 74 12.380 -0.171 -7.382 1.00 3.46 C ATOM 1146 NH1 ARG A 74 11.502 -0.588 -6.502 1.00 3.69 N ATOM 1147 NH2 ARG A 74 12.429 -0.865 -8.495 1.00 5.05 N ATOM 0 H ARG A 74 11.971 5.523 -8.473 1.00 1.24 H new ATOM 0 HA ARG A 74 9.411 4.166 -7.873 1.00 1.06 H new ATOM 0 HB2 ARG A 74 10.521 2.502 -6.753 1.00 1.40 H new ATOM 0 HB3 ARG A 74 11.352 2.709 -8.282 1.00 1.40 H new ATOM 0 HG2 ARG A 74 13.259 3.724 -7.216 1.00 1.52 H new ATOM 0 HG3 ARG A 74 12.410 3.887 -5.692 1.00 1.52 H new ATOM 0 HD2 ARG A 74 14.064 2.010 -5.677 1.00 1.59 H new ATOM 0 HD3 ARG A 74 12.433 1.471 -5.330 1.00 1.59 H new ATOM 0 HE ARG A 74 13.892 1.048 -7.914 1.00 2.61 H new ATOM 0 HH11 ARG A 74 11.385 -0.087 -5.621 1.00 3.69 H new ATOM 0 HH12 ARG A 74 10.936 -1.413 -6.698 1.00 3.69 H new ATOM 0 HH21 ARG A 74 13.070 -0.590 -9.240 1.00 5.05 H new ATOM 0 HH22 ARG A 74 11.827 -1.679 -8.615 1.00 5.05 H new ATOM 1161 N VAL A 75 9.050 5.194 -5.624 1.00 1.10 N ATOM 1162 CA VAL A 75 8.664 5.951 -4.404 1.00 1.30 C ATOM 1163 C VAL A 75 7.820 5.077 -3.468 1.00 1.19 C ATOM 1164 O VAL A 75 7.109 4.193 -3.951 1.00 1.49 O ATOM 1165 CB VAL A 75 7.891 7.261 -4.713 1.00 1.99 C ATOM 1166 CG1 VAL A 75 8.719 8.254 -5.547 1.00 2.38 C ATOM 1167 CG2 VAL A 75 6.552 7.005 -5.427 1.00 2.27 C ATOM 0 H VAL A 75 8.333 4.531 -5.918 1.00 1.10 H new ATOM 0 HA VAL A 75 9.599 6.230 -3.919 1.00 1.30 H new ATOM 0 HB VAL A 75 7.690 7.702 -3.737 1.00 1.99 H new ATOM 0 HG11 VAL A 75 8.130 9.152 -5.734 1.00 2.38 H new ATOM 0 HG12 VAL A 75 9.624 8.521 -5.002 1.00 2.38 H new ATOM 0 HG13 VAL A 75 8.990 7.794 -6.497 1.00 2.38 H new ATOM 0 HG21 VAL A 75 6.054 7.956 -5.618 1.00 2.27 H new ATOM 0 HG22 VAL A 75 6.736 6.495 -6.372 1.00 2.27 H new ATOM 0 HG23 VAL A 75 5.917 6.383 -4.796 1.00 2.27 H new ATOM 1177 N GLU A 76 7.901 5.290 -2.146 1.00 1.23 N ATOM 1178 CA GLU A 76 7.345 4.353 -1.155 1.00 1.21 C ATOM 1179 C GLU A 76 5.991 4.742 -0.540 1.00 1.20 C ATOM 1180 O GLU A 76 5.779 5.844 -0.024 1.00 1.31 O ATOM 1181 CB GLU A 76 8.357 3.931 -0.059 1.00 1.36 C ATOM 1182 CG GLU A 76 9.790 4.486 -0.127 1.00 2.10 C ATOM 1183 CD GLU A 76 9.827 5.936 0.336 1.00 3.08 C ATOM 1184 OE1 GLU A 76 9.629 6.846 -0.504 1.00 4.02 O ATOM 1185 OE2 GLU A 76 9.892 6.184 1.561 1.00 3.70 O ATOM 0 H GLU A 76 8.349 6.109 -1.735 1.00 1.23 H new ATOM 0 HA GLU A 76 7.133 3.479 -1.770 1.00 1.21 H new ATOM 0 HB2 GLU A 76 7.937 4.215 0.906 1.00 1.36 H new ATOM 0 HB3 GLU A 76 8.423 2.843 -0.070 1.00 1.36 H new ATOM 0 HG2 GLU A 76 10.449 3.883 0.497 1.00 2.10 H new ATOM 0 HG3 GLU A 76 10.165 4.415 -1.148 1.00 2.10 H new ATOM 1192 N LEU A 77 5.100 3.744 -0.480 1.00 1.10 N ATOM 1193 CA LEU A 77 3.989 3.658 0.456 1.00 0.98 C ATOM 1194 C LEU A 77 4.572 3.321 1.831 1.00 0.95 C ATOM 1195 O LEU A 77 4.587 2.168 2.262 1.00 1.14 O ATOM 1196 CB LEU A 77 2.946 2.612 -0.002 1.00 0.87 C ATOM 1197 CG LEU A 77 2.123 2.968 -1.255 1.00 0.73 C ATOM 1198 CD1 LEU A 77 2.877 2.724 -2.574 1.00 0.68 C ATOM 1199 CD2 LEU A 77 0.832 2.137 -1.254 1.00 0.72 C ATOM 0 H LEU A 77 5.142 2.945 -1.112 1.00 1.10 H new ATOM 0 HA LEU A 77 3.456 4.608 0.503 1.00 0.98 H new ATOM 0 HB2 LEU A 77 3.465 1.672 -0.190 1.00 0.87 H new ATOM 0 HB3 LEU A 77 2.255 2.435 0.822 1.00 0.87 H new ATOM 0 HG LEU A 77 1.913 4.036 -1.205 1.00 0.73 H new ATOM 0 HD11 LEU A 77 2.238 2.996 -3.414 1.00 0.68 H new ATOM 0 HD12 LEU A 77 3.781 3.332 -2.594 1.00 0.68 H new ATOM 0 HD13 LEU A 77 3.147 1.671 -2.649 1.00 0.68 H new ATOM 0 HD21 LEU A 77 0.241 2.381 -2.137 1.00 0.72 H new ATOM 0 HD22 LEU A 77 1.082 1.076 -1.267 1.00 0.72 H new ATOM 0 HD23 LEU A 77 0.255 2.363 -0.358 1.00 0.72 H new ATOM 1211 N LYS A 78 5.118 4.337 2.494 1.00 0.99 N ATOM 1212 CA LYS A 78 5.693 4.239 3.833 1.00 0.94 C ATOM 1213 C LYS A 78 4.582 4.350 4.906 1.00 0.80 C ATOM 1214 O LYS A 78 3.706 5.200 4.744 1.00 0.85 O ATOM 1215 CB LYS A 78 6.788 5.319 3.948 1.00 1.10 C ATOM 1216 CG LYS A 78 6.238 6.760 3.921 1.00 1.38 C ATOM 1217 CD LYS A 78 7.248 7.782 3.393 1.00 1.55 C ATOM 1218 CE LYS A 78 7.250 7.754 1.859 1.00 2.32 C ATOM 1219 NZ LYS A 78 8.439 8.428 1.299 1.00 2.86 N ATOM 0 H LYS A 78 5.174 5.278 2.104 1.00 0.99 H new ATOM 0 HA LYS A 78 6.157 3.268 4.006 1.00 0.94 H new ATOM 0 HB2 LYS A 78 7.341 5.167 4.875 1.00 1.10 H new ATOM 0 HB3 LYS A 78 7.497 5.194 3.130 1.00 1.10 H new ATOM 0 HG2 LYS A 78 5.343 6.789 3.299 1.00 1.38 H new ATOM 0 HG3 LYS A 78 5.935 7.045 4.929 1.00 1.38 H new ATOM 0 HD2 LYS A 78 6.991 8.780 3.749 1.00 1.55 H new ATOM 0 HD3 LYS A 78 8.244 7.554 3.773 1.00 1.55 H new ATOM 0 HE2 LYS A 78 7.222 6.720 1.514 1.00 2.32 H new ATOM 0 HE3 LYS A 78 6.348 8.239 1.486 1.00 2.32 H new ATOM 0 HZ1 LYS A 78 8.610 8.084 0.332 1.00 2.86 H new ATOM 0 HZ2 LYS A 78 8.278 9.455 1.278 1.00 2.86 H new ATOM 0 HZ3 LYS A 78 9.268 8.220 1.892 1.00 2.86 H new ATOM 1233 N PRO A 79 4.609 3.561 6.004 1.00 0.78 N ATOM 1234 CA PRO A 79 3.492 3.435 6.948 1.00 0.88 C ATOM 1235 C PRO A 79 2.914 4.777 7.409 1.00 1.08 C ATOM 1236 O PRO A 79 1.725 5.012 7.209 1.00 1.25 O ATOM 1237 CB PRO A 79 4.000 2.571 8.111 1.00 0.96 C ATOM 1238 CG PRO A 79 5.505 2.426 7.880 1.00 0.97 C ATOM 1239 CD PRO A 79 5.669 2.638 6.379 1.00 0.85 C ATOM 0 HA PRO A 79 2.643 2.961 6.455 1.00 0.88 H new ATOM 0 HB2 PRO A 79 3.793 3.044 9.071 1.00 0.96 H new ATOM 0 HB3 PRO A 79 3.508 1.598 8.122 1.00 0.96 H new ATOM 0 HG2 PRO A 79 6.069 3.163 8.451 1.00 0.97 H new ATOM 0 HG3 PRO A 79 5.863 1.443 8.186 1.00 0.97 H new ATOM 0 HD2 PRO A 79 6.651 3.050 6.145 1.00 0.85 H new ATOM 0 HD3 PRO A 79 5.581 1.697 5.837 1.00 0.85 H new ATOM 1247 N GLY A 80 3.752 5.689 7.923 1.00 1.27 N ATOM 1248 CA GLY A 80 3.385 7.098 8.121 1.00 1.54 C ATOM 1249 C GLY A 80 3.663 7.885 6.842 1.00 1.38 C ATOM 1250 O GLY A 80 4.776 8.368 6.648 1.00 1.56 O ATOM 0 H GLY A 80 4.705 5.470 8.213 1.00 1.27 H new ATOM 0 HA2 GLY A 80 2.331 7.176 8.386 1.00 1.54 H new ATOM 0 HA3 GLY A 80 3.954 7.519 8.950 1.00 1.54 H new ATOM 1254 N GLY A 81 2.662 7.966 5.962 1.00 1.25 N ATOM 1255 CA GLY A 81 2.791 8.469 4.589 1.00 1.12 C ATOM 1256 C GLY A 81 1.678 7.972 3.671 1.00 0.85 C ATOM 1257 O GLY A 81 0.774 8.731 3.345 1.00 0.84 O ATOM 0 H GLY A 81 1.711 7.675 6.190 1.00 1.25 H new ATOM 0 HA2 GLY A 81 2.784 9.559 4.604 1.00 1.12 H new ATOM 0 HA3 GLY A 81 3.755 8.162 4.183 1.00 1.12 H new ATOM 1261 N TYR A 82 1.735 6.701 3.274 1.00 0.79 N ATOM 1262 CA TYR A 82 0.745 5.998 2.443 1.00 0.70 C ATOM 1263 C TYR A 82 0.842 4.493 2.703 1.00 0.68 C ATOM 1264 O TYR A 82 1.930 3.964 2.903 1.00 0.74 O ATOM 1265 CB TYR A 82 0.935 6.273 0.944 1.00 0.71 C ATOM 1266 CG TYR A 82 0.982 7.731 0.543 1.00 0.71 C ATOM 1267 CD1 TYR A 82 -0.212 8.454 0.347 1.00 1.91 C ATOM 1268 CD2 TYR A 82 2.230 8.366 0.384 1.00 1.59 C ATOM 1269 CE1 TYR A 82 -0.159 9.828 0.043 1.00 1.96 C ATOM 1270 CE2 TYR A 82 2.288 9.734 0.071 1.00 1.57 C ATOM 1271 CZ TYR A 82 1.094 10.470 -0.090 1.00 0.77 C ATOM 1272 OH TYR A 82 1.156 11.797 -0.373 1.00 0.84 O ATOM 0 H TYR A 82 2.514 6.097 3.535 1.00 0.79 H new ATOM 0 HA TYR A 82 -0.241 6.372 2.720 1.00 0.70 H new ATOM 0 HB2 TYR A 82 1.861 5.797 0.621 1.00 0.71 H new ATOM 0 HB3 TYR A 82 0.122 5.792 0.400 1.00 0.71 H new ATOM 0 HD1 TYR A 82 -1.166 7.955 0.430 1.00 1.91 H new ATOM 0 HD2 TYR A 82 3.142 7.800 0.503 1.00 1.59 H new ATOM 0 HE1 TYR A 82 -1.072 10.390 -0.088 1.00 1.96 H new ATOM 0 HE2 TYR A 82 3.244 10.222 -0.046 1.00 1.57 H new ATOM 0 HH TYR A 82 2.094 12.076 -0.428 1.00 0.84 H new ATOM 1282 N HIS A 83 -0.273 3.773 2.675 1.00 0.61 N ATOM 1283 CA HIS A 83 -0.316 2.343 2.986 1.00 0.61 C ATOM 1284 C HIS A 83 -1.669 1.767 2.568 1.00 0.59 C ATOM 1285 O HIS A 83 -2.617 2.520 2.350 1.00 0.63 O ATOM 1286 CB HIS A 83 -0.036 2.112 4.484 1.00 0.64 C ATOM 1287 CG HIS A 83 -0.958 2.871 5.405 1.00 0.63 C ATOM 1288 ND1 HIS A 83 -0.714 4.098 5.976 1.00 0.78 N ATOM 1289 CD2 HIS A 83 -2.204 2.480 5.812 1.00 0.62 C ATOM 1290 CE1 HIS A 83 -1.799 4.448 6.684 1.00 0.77 C ATOM 1291 NE2 HIS A 83 -2.728 3.479 6.638 1.00 0.69 N ATOM 0 H HIS A 83 -1.183 4.166 2.434 1.00 0.61 H new ATOM 0 HA HIS A 83 0.461 1.824 2.425 1.00 0.61 H new ATOM 0 HB2 HIS A 83 -0.121 1.047 4.699 1.00 0.64 H new ATOM 0 HB3 HIS A 83 0.993 2.400 4.699 1.00 0.64 H new ATOM 0 HD1 HIS A 83 0.141 4.646 5.879 1.00 0.78 H new ATOM 0 HD2 HIS A 83 -2.698 1.558 5.542 1.00 0.62 H new ATOM 0 HE1 HIS A 83 -1.910 5.381 7.217 1.00 0.77 H new ATOM 1299 N PHE A 84 -1.771 0.443 2.491 1.00 0.59 N ATOM 1300 CA PHE A 84 -3.025 -0.236 2.202 1.00 0.54 C ATOM 1301 C PHE A 84 -3.698 -0.670 3.497 1.00 0.57 C ATOM 1302 O PHE A 84 -3.151 -1.504 4.222 1.00 0.73 O ATOM 1303 CB PHE A 84 -2.765 -1.456 1.321 1.00 0.62 C ATOM 1304 CG PHE A 84 -2.523 -1.135 -0.138 1.00 0.59 C ATOM 1305 CD1 PHE A 84 -3.560 -0.554 -0.890 1.00 1.82 C ATOM 1306 CD2 PHE A 84 -1.298 -1.450 -0.754 1.00 2.03 C ATOM 1307 CE1 PHE A 84 -3.395 -0.341 -2.265 1.00 1.84 C ATOM 1308 CE2 PHE A 84 -1.118 -1.195 -2.126 1.00 2.01 C ATOM 1309 CZ PHE A 84 -2.169 -0.643 -2.877 1.00 0.62 C ATOM 0 H PHE A 84 -0.982 -0.189 2.628 1.00 0.59 H new ATOM 0 HA PHE A 84 -3.684 0.453 1.674 1.00 0.54 H new ATOM 0 HB2 PHE A 84 -1.900 -1.992 1.711 1.00 0.62 H new ATOM 0 HB3 PHE A 84 -3.618 -2.131 1.395 1.00 0.62 H new ATOM 0 HD1 PHE A 84 -4.484 -0.272 -0.407 1.00 1.82 H new ATOM 0 HD2 PHE A 84 -0.498 -1.887 -0.175 1.00 2.03 H new ATOM 0 HE1 PHE A 84 -4.210 0.055 -2.853 1.00 1.84 H new ATOM 0 HE2 PHE A 84 -0.175 -1.423 -2.600 1.00 2.01 H new ATOM 0 HZ PHE A 84 -2.033 -0.450 -3.931 1.00 0.62 H new ATOM 1319 N MET A 85 -4.911 -0.175 3.727 1.00 0.48 N ATOM 1320 CA MET A 85 -5.852 -0.708 4.708 1.00 0.57 C ATOM 1321 C MET A 85 -6.494 -1.974 4.156 1.00 0.54 C ATOM 1322 O MET A 85 -7.405 -1.950 3.325 1.00 0.73 O ATOM 1323 CB MET A 85 -6.917 0.331 5.112 1.00 0.68 C ATOM 1324 CG MET A 85 -6.554 1.081 6.391 1.00 0.78 C ATOM 1325 SD MET A 85 -6.274 0.038 7.848 1.00 1.09 S ATOM 1326 CE MET A 85 -4.523 0.414 8.048 1.00 0.84 C ATOM 0 H MET A 85 -5.277 0.632 3.221 1.00 0.48 H new ATOM 0 HA MET A 85 -5.302 -0.952 5.617 1.00 0.57 H new ATOM 0 HB2 MET A 85 -7.046 1.047 4.300 1.00 0.68 H new ATOM 0 HB3 MET A 85 -7.875 -0.171 5.250 1.00 0.68 H new ATOM 0 HG2 MET A 85 -5.654 1.667 6.206 1.00 0.78 H new ATOM 0 HG3 MET A 85 -7.353 1.787 6.618 1.00 0.78 H new ATOM 0 HE1 MET A 85 -4.105 -0.210 8.838 1.00 0.84 H new ATOM 0 HE2 MET A 85 -3.999 0.216 7.113 1.00 0.84 H new ATOM 0 HE3 MET A 85 -4.405 1.464 8.315 1.00 0.84 H new ATOM 1336 N LEU A 86 -5.954 -3.096 4.627 1.00 0.58 N ATOM 1337 CA LEU A 86 -6.383 -4.442 4.297 1.00 0.66 C ATOM 1338 C LEU A 86 -7.218 -4.978 5.461 1.00 0.74 C ATOM 1339 O LEU A 86 -6.689 -5.187 6.557 1.00 1.07 O ATOM 1340 CB LEU A 86 -5.125 -5.287 4.045 1.00 1.02 C ATOM 1341 CG LEU A 86 -4.233 -4.826 2.872 1.00 1.29 C ATOM 1342 CD1 LEU A 86 -3.199 -5.917 2.560 1.00 1.94 C ATOM 1343 CD2 LEU A 86 -5.045 -4.490 1.614 1.00 1.68 C ATOM 0 H LEU A 86 -5.170 -3.085 5.279 1.00 0.58 H new ATOM 0 HA LEU A 86 -7.002 -4.472 3.400 1.00 0.66 H new ATOM 0 HB2 LEU A 86 -4.524 -5.291 4.954 1.00 1.02 H new ATOM 0 HB3 LEU A 86 -5.432 -6.317 3.861 1.00 1.02 H new ATOM 0 HG LEU A 86 -3.730 -3.909 3.178 1.00 1.29 H new ATOM 0 HD11 LEU A 86 -2.568 -5.594 1.732 1.00 1.94 H new ATOM 0 HD12 LEU A 86 -2.581 -6.095 3.440 1.00 1.94 H new ATOM 0 HD13 LEU A 86 -3.713 -6.838 2.286 1.00 1.94 H new ATOM 0 HD21 LEU A 86 -4.370 -4.171 0.820 1.00 1.68 H new ATOM 0 HD22 LEU A 86 -5.596 -5.373 1.290 1.00 1.68 H new ATOM 0 HD23 LEU A 86 -5.747 -3.687 1.838 1.00 1.68 H new ATOM 1355 N LEU A 87 -8.523 -5.147 5.228 1.00 0.66 N ATOM 1356 CA LEU A 87 -9.538 -5.519 6.225 1.00 0.83 C ATOM 1357 C LEU A 87 -10.147 -6.876 5.841 1.00 0.90 C ATOM 1358 O LEU A 87 -10.436 -7.115 4.667 1.00 1.05 O ATOM 1359 CB LEU A 87 -10.616 -4.403 6.275 1.00 0.86 C ATOM 1360 CG LEU A 87 -11.048 -3.897 7.663 1.00 1.52 C ATOM 1361 CD1 LEU A 87 -11.965 -2.676 7.498 1.00 1.47 C ATOM 1362 CD2 LEU A 87 -11.781 -4.982 8.466 1.00 3.43 C ATOM 0 H LEU A 87 -8.921 -5.023 4.297 1.00 0.66 H new ATOM 0 HA LEU A 87 -9.095 -5.617 7.216 1.00 0.83 H new ATOM 0 HB2 LEU A 87 -10.245 -3.550 5.706 1.00 0.86 H new ATOM 0 HB3 LEU A 87 -11.504 -4.769 5.759 1.00 0.86 H new ATOM 0 HG LEU A 87 -10.148 -3.625 8.215 1.00 1.52 H new ATOM 0 HD11 LEU A 87 -12.272 -2.316 8.480 1.00 1.47 H new ATOM 0 HD12 LEU A 87 -11.428 -1.886 6.974 1.00 1.47 H new ATOM 0 HD13 LEU A 87 -12.847 -2.958 6.923 1.00 1.47 H new ATOM 0 HD21 LEU A 87 -12.068 -4.583 9.439 1.00 3.43 H new ATOM 0 HD22 LEU A 87 -12.674 -5.295 7.924 1.00 3.43 H new ATOM 0 HD23 LEU A 87 -11.122 -5.839 8.606 1.00 3.43 H new ATOM 1374 N GLY A 88 -10.350 -7.762 6.823 1.00 0.94 N ATOM 1375 CA GLY A 88 -10.820 -9.133 6.601 1.00 1.08 C ATOM 1376 C GLY A 88 -9.676 -10.029 6.131 1.00 1.15 C ATOM 1377 O GLY A 88 -9.700 -10.498 4.996 1.00 1.56 O ATOM 0 H GLY A 88 -10.190 -7.543 7.806 1.00 0.94 H new ATOM 0 HA2 GLY A 88 -11.244 -9.531 7.523 1.00 1.08 H new ATOM 0 HA3 GLY A 88 -11.617 -9.133 5.857 1.00 1.08 H new ATOM 1381 N LEU A 89 -8.651 -10.213 6.973 1.00 1.13 N ATOM 1382 CA LEU A 89 -7.446 -10.979 6.625 1.00 1.18 C ATOM 1383 C LEU A 89 -7.739 -12.485 6.556 1.00 1.31 C ATOM 1384 O LEU A 89 -8.129 -13.091 7.551 1.00 1.48 O ATOM 1385 CB LEU A 89 -6.299 -10.672 7.609 1.00 1.26 C ATOM 1386 CG LEU A 89 -5.926 -9.183 7.746 1.00 1.15 C ATOM 1387 CD1 LEU A 89 -4.729 -9.041 8.695 1.00 1.39 C ATOM 1388 CD2 LEU A 89 -5.617 -8.510 6.399 1.00 1.17 C ATOM 0 H LEU A 89 -8.634 -9.833 7.919 1.00 1.13 H new ATOM 0 HA LEU A 89 -7.126 -10.667 5.631 1.00 1.18 H new ATOM 0 HB2 LEU A 89 -6.575 -11.052 8.593 1.00 1.26 H new ATOM 0 HB3 LEU A 89 -5.414 -11.223 7.292 1.00 1.26 H new ATOM 0 HG LEU A 89 -6.797 -8.670 8.154 1.00 1.15 H new ATOM 0 HD11 LEU A 89 -4.465 -7.988 8.792 1.00 1.39 H new ATOM 0 HD12 LEU A 89 -4.992 -9.441 9.674 1.00 1.39 H new ATOM 0 HD13 LEU A 89 -3.879 -9.593 8.294 1.00 1.39 H new ATOM 0 HD21 LEU A 89 -5.362 -7.463 6.565 1.00 1.17 H new ATOM 0 HD22 LEU A 89 -4.778 -9.017 5.923 1.00 1.17 H new ATOM 0 HD23 LEU A 89 -6.492 -8.572 5.752 1.00 1.17 H new ATOM 1400 N LYS A 90 -7.573 -13.089 5.372 1.00 1.30 N ATOM 1401 CA LYS A 90 -8.108 -14.437 5.075 1.00 1.21 C ATOM 1402 C LYS A 90 -7.223 -15.605 5.565 1.00 1.21 C ATOM 1403 O LYS A 90 -7.631 -16.764 5.521 1.00 1.17 O ATOM 1404 CB LYS A 90 -8.428 -14.574 3.577 1.00 1.21 C ATOM 1405 CG LYS A 90 -9.263 -13.411 3.018 1.00 1.01 C ATOM 1406 CD LYS A 90 -9.958 -13.790 1.704 1.00 1.21 C ATOM 1407 CE LYS A 90 -10.446 -12.516 1.008 1.00 1.49 C ATOM 1408 NZ LYS A 90 -11.526 -12.771 0.031 1.00 1.47 N ATOM 0 H LYS A 90 -7.068 -12.666 4.593 1.00 1.30 H new ATOM 0 HA LYS A 90 -9.028 -14.520 5.653 1.00 1.21 H new ATOM 0 HB2 LYS A 90 -7.494 -14.641 3.019 1.00 1.21 H new ATOM 0 HB3 LYS A 90 -8.965 -15.508 3.413 1.00 1.21 H new ATOM 0 HG2 LYS A 90 -10.011 -13.115 3.753 1.00 1.01 H new ATOM 0 HG3 LYS A 90 -8.619 -12.547 2.853 1.00 1.01 H new ATOM 0 HD2 LYS A 90 -9.268 -14.331 1.057 1.00 1.21 H new ATOM 0 HD3 LYS A 90 -10.798 -14.456 1.902 1.00 1.21 H new ATOM 0 HE2 LYS A 90 -10.802 -11.811 1.759 1.00 1.49 H new ATOM 0 HE3 LYS A 90 -9.607 -12.042 0.499 1.00 1.49 H new ATOM 0 HZ1 LYS A 90 -11.630 -11.947 -0.594 1.00 1.47 H new ATOM 0 HZ2 LYS A 90 -11.289 -13.609 -0.537 1.00 1.47 H new ATOM 0 HZ3 LYS A 90 -12.420 -12.937 0.537 1.00 1.47 H new ATOM 1422 N ARG A 91 -6.025 -15.291 6.065 1.00 1.37 N ATOM 1423 CA ARG A 91 -5.294 -16.080 7.063 1.00 1.35 C ATOM 1424 C ARG A 91 -5.021 -15.150 8.256 1.00 1.13 C ATOM 1425 O ARG A 91 -4.853 -13.948 8.042 1.00 1.10 O ATOM 1426 CB ARG A 91 -3.945 -16.582 6.503 1.00 1.77 C ATOM 1427 CG ARG A 91 -4.076 -17.665 5.420 1.00 2.15 C ATOM 1428 CD ARG A 91 -2.696 -18.216 5.022 1.00 2.54 C ATOM 1429 NE ARG A 91 -2.806 -19.274 3.995 1.00 2.80 N ATOM 1430 CZ ARG A 91 -1.785 -19.834 3.346 1.00 3.72 C ATOM 1431 NH1 ARG A 91 -0.535 -19.531 3.612 1.00 4.62 N ATOM 1432 NH2 ARG A 91 -2.003 -20.728 2.403 1.00 4.41 N ATOM 0 H ARG A 91 -5.520 -14.453 5.777 1.00 1.37 H new ATOM 0 HA ARG A 91 -5.883 -16.952 7.347 1.00 1.35 H new ATOM 0 HB2 ARG A 91 -3.398 -15.735 6.089 1.00 1.77 H new ATOM 0 HB3 ARG A 91 -3.347 -16.976 7.325 1.00 1.77 H new ATOM 0 HG2 ARG A 91 -4.704 -18.477 5.787 1.00 2.15 H new ATOM 0 HG3 ARG A 91 -4.572 -17.249 4.543 1.00 2.15 H new ATOM 0 HD2 ARG A 91 -2.075 -17.404 4.643 1.00 2.54 H new ATOM 0 HD3 ARG A 91 -2.195 -18.615 5.904 1.00 2.54 H new ATOM 0 HE ARG A 91 -3.743 -19.604 3.763 1.00 2.80 H new ATOM 0 HH11 ARG A 91 -0.319 -18.846 4.337 1.00 4.62 H new ATOM 0 HH12 ARG A 91 0.220 -19.981 3.094 1.00 4.62 H new ATOM 0 HH21 ARG A 91 -2.958 -20.996 2.165 1.00 4.41 H new ATOM 0 HH22 ARG A 91 -1.217 -21.152 1.911 1.00 4.41 H new ATOM 1446 N PRO A 92 -4.871 -15.664 9.489 1.00 1.19 N ATOM 1447 CA PRO A 92 -4.044 -14.985 10.467 1.00 1.21 C ATOM 1448 C PRO A 92 -2.588 -15.154 10.030 1.00 1.34 C ATOM 1449 O PRO A 92 -2.111 -16.274 9.843 1.00 1.71 O ATOM 1450 CB PRO A 92 -4.337 -15.662 11.796 1.00 1.39 C ATOM 1451 CG PRO A 92 -4.711 -17.095 11.395 1.00 1.48 C ATOM 1452 CD PRO A 92 -5.297 -16.965 9.984 1.00 1.36 C ATOM 0 HA PRO A 92 -4.241 -13.917 10.557 1.00 1.21 H new ATOM 0 HB2 PRO A 92 -3.469 -15.644 12.455 1.00 1.39 H new ATOM 0 HB3 PRO A 92 -5.151 -15.169 12.327 1.00 1.39 H new ATOM 0 HG2 PRO A 92 -3.839 -17.749 11.403 1.00 1.48 H new ATOM 0 HG3 PRO A 92 -5.436 -17.523 12.087 1.00 1.48 H new ATOM 0 HD2 PRO A 92 -4.937 -17.765 9.337 1.00 1.36 H new ATOM 0 HD3 PRO A 92 -6.384 -17.037 10.005 1.00 1.36 H new ATOM 1460 N LEU A 93 -1.901 -14.030 9.863 1.00 1.26 N ATOM 1461 CA LEU A 93 -0.600 -13.931 9.184 1.00 1.33 C ATOM 1462 C LEU A 93 0.516 -14.637 9.969 1.00 1.42 C ATOM 1463 O LEU A 93 0.446 -14.744 11.197 1.00 1.89 O ATOM 1464 CB LEU A 93 -0.270 -12.433 8.978 1.00 1.39 C ATOM 1465 CG LEU A 93 -0.946 -11.699 7.797 1.00 1.42 C ATOM 1466 CD1 LEU A 93 -0.212 -11.952 6.479 1.00 1.98 C ATOM 1467 CD2 LEU A 93 -2.432 -12.015 7.602 1.00 2.08 C ATOM 0 H LEU A 93 -2.239 -13.130 10.205 1.00 1.26 H new ATOM 0 HA LEU A 93 -0.663 -14.437 8.221 1.00 1.33 H new ATOM 0 HB2 LEU A 93 -0.532 -11.904 9.894 1.00 1.39 H new ATOM 0 HB3 LEU A 93 0.809 -12.342 8.854 1.00 1.39 H new ATOM 0 HG LEU A 93 -0.880 -10.648 8.077 1.00 1.42 H new ATOM 0 HD11 LEU A 93 -0.717 -11.420 5.673 1.00 1.98 H new ATOM 0 HD12 LEU A 93 0.815 -11.597 6.561 1.00 1.98 H new ATOM 0 HD13 LEU A 93 -0.210 -13.020 6.263 1.00 1.98 H new ATOM 0 HD21 LEU A 93 -2.815 -11.453 6.750 1.00 2.08 H new ATOM 0 HD22 LEU A 93 -2.556 -13.082 7.417 1.00 2.08 H new ATOM 0 HD23 LEU A 93 -2.984 -11.736 8.499 1.00 2.08 H new ATOM 1479 N LYS A 94 1.570 -15.080 9.284 1.00 1.38 N ATOM 1480 CA LYS A 94 2.838 -15.503 9.889 1.00 1.57 C ATOM 1481 C LYS A 94 4.027 -14.851 9.179 1.00 1.47 C ATOM 1482 O LYS A 94 4.158 -14.934 7.957 1.00 1.81 O ATOM 1483 CB LYS A 94 3.000 -17.035 9.837 1.00 1.90 C ATOM 1484 CG LYS A 94 1.847 -17.822 10.465 1.00 2.02 C ATOM 1485 CD LYS A 94 1.764 -17.676 11.992 1.00 3.20 C ATOM 1486 CE LYS A 94 0.379 -18.072 12.517 1.00 4.82 C ATOM 1487 NZ LYS A 94 -0.659 -17.103 12.084 1.00 6.09 N ATOM 0 H LYS A 94 1.568 -15.158 8.267 1.00 1.38 H new ATOM 0 HA LYS A 94 2.818 -15.183 10.931 1.00 1.57 H new ATOM 0 HB2 LYS A 94 3.106 -17.340 8.796 1.00 1.90 H new ATOM 0 HB3 LYS A 94 3.926 -17.306 10.344 1.00 1.90 H new ATOM 0 HG2 LYS A 94 0.908 -17.488 10.025 1.00 2.02 H new ATOM 0 HG3 LYS A 94 1.959 -18.877 10.215 1.00 2.02 H new ATOM 0 HD2 LYS A 94 2.525 -18.300 12.461 1.00 3.20 H new ATOM 0 HD3 LYS A 94 1.980 -16.645 12.273 1.00 3.20 H new ATOM 0 HE2 LYS A 94 0.122 -19.068 12.157 1.00 4.82 H new ATOM 0 HE3 LYS A 94 0.401 -18.122 13.606 1.00 4.82 H new ATOM 0 HZ1 LYS A 94 -1.463 -17.137 12.743 1.00 6.09 H new ATOM 0 HZ2 LYS A 94 -0.257 -16.144 12.077 1.00 6.09 H new ATOM 0 HZ3 LYS A 94 -0.985 -17.348 11.128 1.00 6.09 H new ATOM 1501 N ALA A 95 4.917 -14.239 9.962 1.00 1.43 N ATOM 1502 CA ALA A 95 6.211 -13.763 9.467 1.00 1.40 C ATOM 1503 C ALA A 95 6.929 -14.925 8.760 1.00 1.35 C ATOM 1504 O ALA A 95 7.090 -15.983 9.365 1.00 1.53 O ATOM 1505 CB ALA A 95 7.012 -13.199 10.649 1.00 1.61 C ATOM 0 H ALA A 95 4.762 -14.059 10.954 1.00 1.43 H new ATOM 0 HA ALA A 95 6.093 -12.961 8.738 1.00 1.40 H new ATOM 0 HB1 ALA A 95 7.979 -12.840 10.295 1.00 1.61 H new ATOM 0 HB2 ALA A 95 6.462 -12.373 11.100 1.00 1.61 H new ATOM 0 HB3 ALA A 95 7.165 -13.982 11.392 1.00 1.61 H new ATOM 1511 N GLY A 96 7.277 -14.763 7.477 1.00 1.28 N ATOM 1512 CA GLY A 96 7.768 -15.848 6.615 1.00 1.35 C ATOM 1513 C GLY A 96 6.736 -16.476 5.662 1.00 1.38 C ATOM 1514 O GLY A 96 7.108 -17.388 4.930 1.00 1.89 O ATOM 0 H GLY A 96 7.225 -13.862 7.001 1.00 1.28 H new ATOM 0 HA2 GLY A 96 8.596 -15.464 6.019 1.00 1.35 H new ATOM 0 HA3 GLY A 96 8.171 -16.636 7.251 1.00 1.35 H new ATOM 1518 N GLU A 97 5.484 -16.007 5.623 1.00 1.12 N ATOM 1519 CA GLU A 97 4.568 -16.278 4.507 1.00 1.13 C ATOM 1520 C GLU A 97 4.894 -15.358 3.314 1.00 0.98 C ATOM 1521 O GLU A 97 5.668 -14.403 3.423 1.00 1.03 O ATOM 1522 CB GLU A 97 3.094 -16.127 4.947 1.00 1.36 C ATOM 1523 CG GLU A 97 2.574 -17.345 5.719 1.00 1.65 C ATOM 1524 CD GLU A 97 1.101 -17.189 6.122 1.00 1.68 C ATOM 1525 OE1 GLU A 97 0.766 -16.184 6.791 1.00 2.72 O ATOM 1526 OE2 GLU A 97 0.293 -18.079 5.763 1.00 2.26 O ATOM 0 H GLU A 97 5.077 -15.431 6.360 1.00 1.12 H new ATOM 0 HA GLU A 97 4.707 -17.311 4.189 1.00 1.13 H new ATOM 0 HB2 GLU A 97 2.996 -15.239 5.571 1.00 1.36 H new ATOM 0 HB3 GLU A 97 2.472 -15.969 4.066 1.00 1.36 H new ATOM 0 HG2 GLU A 97 2.689 -18.238 5.105 1.00 1.65 H new ATOM 0 HG3 GLU A 97 3.180 -17.493 6.613 1.00 1.65 H new ATOM 1533 N GLU A 98 4.275 -15.635 2.171 1.00 1.05 N ATOM 1534 CA GLU A 98 4.369 -14.885 0.920 1.00 1.05 C ATOM 1535 C GLU A 98 2.998 -14.293 0.564 1.00 0.92 C ATOM 1536 O GLU A 98 1.969 -14.877 0.891 1.00 1.11 O ATOM 1537 CB GLU A 98 4.871 -15.837 -0.179 1.00 1.45 C ATOM 1538 CG GLU A 98 3.865 -16.955 -0.515 1.00 3.11 C ATOM 1539 CD GLU A 98 4.507 -18.177 -1.165 1.00 3.89 C ATOM 1540 OE1 GLU A 98 5.585 -18.023 -1.777 1.00 4.04 O ATOM 1541 OE2 GLU A 98 3.906 -19.266 -1.022 1.00 5.07 O ATOM 0 H GLU A 98 3.655 -16.440 2.087 1.00 1.05 H new ATOM 0 HA GLU A 98 5.070 -14.056 1.020 1.00 1.05 H new ATOM 0 HB2 GLU A 98 5.081 -15.262 -1.081 1.00 1.45 H new ATOM 0 HB3 GLU A 98 5.812 -16.286 0.139 1.00 1.45 H new ATOM 0 HG2 GLU A 98 3.359 -17.264 0.399 1.00 3.11 H new ATOM 0 HG3 GLU A 98 3.102 -16.557 -1.183 1.00 3.11 H new ATOM 1548 N VAL A 99 2.966 -13.148 -0.117 1.00 0.97 N ATOM 1549 CA VAL A 99 1.734 -12.443 -0.499 1.00 0.89 C ATOM 1550 C VAL A 99 1.750 -12.155 -1.986 1.00 0.89 C ATOM 1551 O VAL A 99 2.519 -11.309 -2.428 1.00 0.99 O ATOM 1552 CB VAL A 99 1.569 -11.111 0.268 1.00 1.06 C ATOM 1553 CG1 VAL A 99 0.344 -10.307 -0.233 1.00 1.03 C ATOM 1554 CG2 VAL A 99 1.465 -11.409 1.774 1.00 1.19 C ATOM 0 H VAL A 99 3.812 -12.671 -0.427 1.00 0.97 H new ATOM 0 HA VAL A 99 0.895 -13.090 -0.244 1.00 0.89 H new ATOM 0 HB VAL A 99 2.444 -10.487 0.083 1.00 1.06 H new ATOM 0 HG11 VAL A 99 0.263 -9.378 0.331 1.00 1.03 H new ATOM 0 HG12 VAL A 99 0.467 -10.079 -1.292 1.00 1.03 H new ATOM 0 HG13 VAL A 99 -0.561 -10.897 -0.092 1.00 1.03 H new ATOM 0 HG21 VAL A 99 1.348 -10.474 2.323 1.00 1.19 H new ATOM 0 HG22 VAL A 99 0.602 -12.049 1.960 1.00 1.19 H new ATOM 0 HG23 VAL A 99 2.371 -11.915 2.108 1.00 1.19 H new ATOM 1564 N GLU A 100 0.834 -12.786 -2.721 1.00 0.82 N ATOM 1565 CA GLU A 100 0.422 -12.318 -4.044 1.00 0.81 C ATOM 1566 C GLU A 100 -0.363 -11.006 -3.906 1.00 0.72 C ATOM 1567 O GLU A 100 -1.264 -10.893 -3.065 1.00 0.82 O ATOM 1568 CB GLU A 100 -0.464 -13.359 -4.749 1.00 0.95 C ATOM 1569 CG GLU A 100 0.322 -14.471 -5.462 1.00 1.20 C ATOM 1570 CD GLU A 100 -0.007 -14.473 -6.954 1.00 1.94 C ATOM 1571 OE1 GLU A 100 -1.147 -14.846 -7.313 1.00 2.51 O ATOM 1572 OE2 GLU A 100 0.807 -13.951 -7.742 1.00 3.09 O ATOM 0 H GLU A 100 0.357 -13.635 -2.416 1.00 0.82 H new ATOM 0 HA GLU A 100 1.320 -12.160 -4.641 1.00 0.81 H new ATOM 0 HB2 GLU A 100 -1.129 -13.813 -4.014 1.00 0.95 H new ATOM 0 HB3 GLU A 100 -1.095 -12.850 -5.478 1.00 0.95 H new ATOM 0 HG2 GLU A 100 1.392 -14.320 -5.318 1.00 1.20 H new ATOM 0 HG3 GLU A 100 0.075 -15.439 -5.026 1.00 1.20 H new ATOM 1579 N LEU A 101 -0.035 -10.030 -4.758 1.00 0.76 N ATOM 1580 CA LEU A 101 -0.704 -8.730 -4.829 1.00 0.74 C ATOM 1581 C LEU A 101 -0.731 -8.165 -6.253 1.00 0.75 C ATOM 1582 O LEU A 101 0.302 -7.841 -6.838 1.00 0.80 O ATOM 1583 CB LEU A 101 -0.041 -7.737 -3.861 1.00 0.84 C ATOM 1584 CG LEU A 101 -0.865 -7.485 -2.597 1.00 1.05 C ATOM 1585 CD1 LEU A 101 0.017 -6.825 -1.557 1.00 1.57 C ATOM 1586 CD2 LEU A 101 -2.050 -6.533 -2.844 1.00 1.25 C ATOM 0 H LEU A 101 0.723 -10.126 -5.434 1.00 0.76 H new ATOM 0 HA LEU A 101 -1.741 -8.881 -4.530 1.00 0.74 H new ATOM 0 HB2 LEU A 101 0.940 -8.117 -3.577 1.00 0.84 H new ATOM 0 HB3 LEU A 101 0.120 -6.790 -4.376 1.00 0.84 H new ATOM 0 HG LEU A 101 -1.247 -8.452 -2.270 1.00 1.05 H new ATOM 0 HD11 LEU A 101 -0.562 -6.642 -0.652 1.00 1.57 H new ATOM 0 HD12 LEU A 101 0.857 -7.480 -1.324 1.00 1.57 H new ATOM 0 HD13 LEU A 101 0.392 -5.878 -1.946 1.00 1.57 H new ATOM 0 HD21 LEU A 101 -2.601 -6.389 -1.914 1.00 1.25 H new ATOM 0 HD22 LEU A 101 -1.677 -5.572 -3.198 1.00 1.25 H new ATOM 0 HD23 LEU A 101 -2.712 -6.964 -3.595 1.00 1.25 H new ATOM 1598 N ASP A 102 -1.947 -8.011 -6.766 1.00 0.73 N ATOM 1599 CA ASP A 102 -2.328 -7.459 -8.067 1.00 0.72 C ATOM 1600 C ASP A 102 -2.540 -5.934 -7.967 1.00 0.70 C ATOM 1601 O ASP A 102 -3.618 -5.471 -7.586 1.00 0.80 O ATOM 1602 CB ASP A 102 -3.619 -8.172 -8.513 1.00 0.82 C ATOM 1603 CG ASP A 102 -3.418 -9.658 -8.831 1.00 1.07 C ATOM 1604 OD1 ASP A 102 -3.521 -10.498 -7.903 1.00 2.18 O ATOM 1605 OD2 ASP A 102 -3.134 -9.971 -10.007 1.00 1.83 O ATOM 0 H ASP A 102 -2.770 -8.295 -6.234 1.00 0.73 H new ATOM 0 HA ASP A 102 -1.538 -7.623 -8.800 1.00 0.72 H new ATOM 0 HB2 ASP A 102 -4.368 -8.075 -7.727 1.00 0.82 H new ATOM 0 HB3 ASP A 102 -4.016 -7.670 -9.396 1.00 0.82 H new ATOM 1610 N LEU A 103 -1.508 -5.141 -8.278 1.00 0.64 N ATOM 1611 CA LEU A 103 -1.517 -3.677 -8.178 1.00 0.59 C ATOM 1612 C LEU A 103 -2.352 -3.055 -9.316 1.00 0.59 C ATOM 1613 O LEU A 103 -2.080 -3.297 -10.492 1.00 0.63 O ATOM 1614 CB LEU A 103 -0.058 -3.168 -8.200 1.00 0.63 C ATOM 1615 CG LEU A 103 0.939 -3.887 -7.255 1.00 0.86 C ATOM 1616 CD1 LEU A 103 2.343 -3.306 -7.452 1.00 1.15 C ATOM 1617 CD2 LEU A 103 0.535 -3.774 -5.777 1.00 1.19 C ATOM 0 H LEU A 103 -0.619 -5.510 -8.615 1.00 0.64 H new ATOM 0 HA LEU A 103 -1.984 -3.374 -7.241 1.00 0.59 H new ATOM 0 HB2 LEU A 103 0.317 -3.252 -9.220 1.00 0.63 H new ATOM 0 HB3 LEU A 103 -0.063 -2.107 -7.948 1.00 0.63 H new ATOM 0 HG LEU A 103 0.927 -4.946 -7.514 1.00 0.86 H new ATOM 0 HD11 LEU A 103 3.043 -3.812 -6.787 1.00 1.15 H new ATOM 0 HD12 LEU A 103 2.655 -3.451 -8.486 1.00 1.15 H new ATOM 0 HD13 LEU A 103 2.331 -2.240 -7.223 1.00 1.15 H new ATOM 0 HD21 LEU A 103 1.267 -4.294 -5.159 1.00 1.19 H new ATOM 0 HD22 LEU A 103 0.499 -2.723 -5.489 1.00 1.19 H new ATOM 0 HD23 LEU A 103 -0.447 -4.224 -5.633 1.00 1.19 H new ATOM 1629 N LEU A 104 -3.368 -2.253 -8.967 1.00 0.58 N ATOM 1630 CA LEU A 104 -4.360 -1.699 -9.901 1.00 0.60 C ATOM 1631 C LEU A 104 -3.986 -0.279 -10.328 1.00 0.60 C ATOM 1632 O LEU A 104 -3.785 0.606 -9.489 1.00 0.60 O ATOM 1633 CB LEU A 104 -5.765 -1.654 -9.263 1.00 0.60 C ATOM 1634 CG LEU A 104 -6.278 -2.925 -8.578 1.00 0.62 C ATOM 1635 CD1 LEU A 104 -7.713 -2.694 -8.084 1.00 0.66 C ATOM 1636 CD2 LEU A 104 -6.219 -4.156 -9.492 1.00 0.68 C ATOM 0 H LEU A 104 -3.527 -1.964 -8.002 1.00 0.58 H new ATOM 0 HA LEU A 104 -4.370 -2.356 -10.771 1.00 0.60 H new ATOM 0 HB2 LEU A 104 -5.773 -0.850 -8.527 1.00 0.60 H new ATOM 0 HB3 LEU A 104 -6.478 -1.381 -10.041 1.00 0.60 H new ATOM 0 HG LEU A 104 -5.621 -3.133 -7.734 1.00 0.62 H new ATOM 0 HD11 LEU A 104 -8.080 -3.597 -7.596 1.00 0.66 H new ATOM 0 HD12 LEU A 104 -7.725 -1.868 -7.373 1.00 0.66 H new ATOM 0 HD13 LEU A 104 -8.355 -2.453 -8.931 1.00 0.66 H new ATOM 0 HD21 LEU A 104 -6.594 -5.027 -8.954 1.00 0.68 H new ATOM 0 HD22 LEU A 104 -6.833 -3.983 -10.376 1.00 0.68 H new ATOM 0 HD23 LEU A 104 -5.188 -4.334 -9.796 1.00 0.68 H new ATOM 1648 N PHE A 105 -3.982 -0.015 -11.633 1.00 0.62 N ATOM 1649 CA PHE A 105 -3.513 1.252 -12.192 1.00 0.69 C ATOM 1650 C PHE A 105 -4.489 1.862 -13.209 1.00 0.82 C ATOM 1651 O PHE A 105 -4.876 1.239 -14.198 1.00 1.13 O ATOM 1652 CB PHE A 105 -2.176 0.998 -12.886 1.00 0.73 C ATOM 1653 CG PHE A 105 -1.009 0.674 -11.987 1.00 0.69 C ATOM 1654 CD1 PHE A 105 -0.320 1.711 -11.339 1.00 1.88 C ATOM 1655 CD2 PHE A 105 -0.564 -0.658 -11.861 1.00 1.60 C ATOM 1656 CE1 PHE A 105 0.822 1.425 -10.575 1.00 1.89 C ATOM 1657 CE2 PHE A 105 0.575 -0.939 -11.089 1.00 1.60 C ATOM 1658 CZ PHE A 105 1.272 0.099 -10.452 1.00 0.74 C ATOM 0 H PHE A 105 -4.306 -0.678 -12.337 1.00 0.62 H new ATOM 0 HA PHE A 105 -3.422 1.963 -11.371 1.00 0.69 H new ATOM 0 HB2 PHE A 105 -2.306 0.175 -13.589 1.00 0.73 H new ATOM 0 HB3 PHE A 105 -1.922 1.881 -13.473 1.00 0.73 H new ATOM 0 HD1 PHE A 105 -0.669 2.729 -11.428 1.00 1.88 H new ATOM 0 HD2 PHE A 105 -1.096 -1.457 -12.355 1.00 1.60 H new ATOM 0 HE1 PHE A 105 1.355 2.224 -10.081 1.00 1.89 H new ATOM 0 HE2 PHE A 105 0.916 -1.958 -10.985 1.00 1.60 H new ATOM 0 HZ PHE A 105 2.153 -0.121 -9.868 1.00 0.74 H new ATOM 1668 N ALA A 106 -4.792 3.144 -12.999 1.00 0.77 N ATOM 1669 CA ALA A 106 -5.623 4.020 -13.838 1.00 0.95 C ATOM 1670 C ALA A 106 -6.769 3.285 -14.569 1.00 1.16 C ATOM 1671 O ALA A 106 -6.880 3.353 -15.802 1.00 1.63 O ATOM 1672 CB ALA A 106 -4.697 4.821 -14.768 1.00 1.62 C ATOM 0 H ALA A 106 -4.439 3.637 -12.179 1.00 0.77 H new ATOM 0 HA ALA A 106 -6.162 4.717 -13.196 1.00 0.95 H new ATOM 0 HB1 ALA A 106 -5.295 5.478 -15.400 1.00 1.62 H new ATOM 0 HB2 ALA A 106 -4.010 5.420 -14.170 1.00 1.62 H new ATOM 0 HB3 ALA A 106 -4.128 4.134 -15.395 1.00 1.62 H new ATOM 1678 N GLY A 107 -7.550 2.499 -13.816 1.00 2.00 N ATOM 1679 CA GLY A 107 -8.581 1.599 -14.335 1.00 2.89 C ATOM 1680 C GLY A 107 -7.980 0.379 -15.031 1.00 2.55 C ATOM 1681 O GLY A 107 -7.753 -0.653 -14.415 1.00 3.64 O ATOM 0 H GLY A 107 -7.477 2.473 -12.799 1.00 2.00 H new ATOM 0 HA2 GLY A 107 -9.221 1.270 -13.516 1.00 2.89 H new ATOM 0 HA3 GLY A 107 -9.215 2.141 -15.037 1.00 2.89 H new ATOM 1685 N GLY A 108 -7.763 0.502 -16.343 1.00 1.50 N ATOM 1686 CA GLY A 108 -7.515 -0.628 -17.251 1.00 1.38 C ATOM 1687 C GLY A 108 -6.092 -1.196 -17.298 1.00 1.23 C ATOM 1688 O GLY A 108 -5.771 -1.875 -18.268 1.00 1.59 O ATOM 0 H GLY A 108 -7.754 1.406 -16.816 1.00 1.50 H new ATOM 0 HA2 GLY A 108 -8.192 -1.437 -16.975 1.00 1.38 H new ATOM 0 HA3 GLY A 108 -7.786 -0.316 -18.259 1.00 1.38 H new ATOM 1692 N LYS A 109 -5.206 -0.907 -16.335 1.00 0.96 N ATOM 1693 CA LYS A 109 -3.947 -1.626 -16.155 1.00 0.90 C ATOM 1694 C LYS A 109 -3.971 -2.368 -14.805 1.00 0.79 C ATOM 1695 O LYS A 109 -4.434 -1.820 -13.809 1.00 0.80 O ATOM 1696 CB LYS A 109 -2.790 -0.620 -16.097 1.00 0.92 C ATOM 1697 CG LYS A 109 -2.225 -0.032 -17.391 1.00 1.63 C ATOM 1698 CD LYS A 109 -3.213 0.831 -18.194 1.00 3.04 C ATOM 1699 CE LYS A 109 -3.777 2.002 -17.363 1.00 4.11 C ATOM 1700 NZ LYS A 109 -5.130 2.405 -17.815 1.00 5.23 N ATOM 0 H LYS A 109 -5.349 -0.160 -15.655 1.00 0.96 H new ATOM 0 HA LYS A 109 -3.818 -2.323 -16.983 1.00 0.90 H new ATOM 0 HB2 LYS A 109 -3.116 0.215 -15.477 1.00 0.92 H new ATOM 0 HB3 LYS A 109 -1.965 -1.103 -15.573 1.00 0.92 H new ATOM 0 HG2 LYS A 109 -1.351 0.573 -17.147 1.00 1.63 H new ATOM 0 HG3 LYS A 109 -1.880 -0.849 -18.025 1.00 1.63 H new ATOM 0 HD2 LYS A 109 -2.712 1.224 -19.079 1.00 3.04 H new ATOM 0 HD3 LYS A 109 -4.036 0.207 -18.544 1.00 3.04 H new ATOM 0 HE2 LYS A 109 -3.817 1.714 -16.312 1.00 4.11 H new ATOM 0 HE3 LYS A 109 -3.102 2.855 -17.435 1.00 4.11 H new ATOM 0 HZ1 LYS A 109 -5.679 2.751 -17.002 1.00 5.23 H new ATOM 0 HZ2 LYS A 109 -5.048 3.161 -18.524 1.00 5.23 H new ATOM 0 HZ3 LYS A 109 -5.613 1.586 -18.236 1.00 5.23 H new ATOM 1714 N VAL A 110 -3.355 -3.542 -14.748 1.00 0.86 N ATOM 1715 CA VAL A 110 -3.049 -4.268 -13.515 1.00 0.84 C ATOM 1716 C VAL A 110 -1.752 -5.051 -13.709 1.00 0.95 C ATOM 1717 O VAL A 110 -1.527 -5.597 -14.790 1.00 1.10 O ATOM 1718 CB VAL A 110 -4.232 -5.160 -13.081 1.00 0.84 C ATOM 1719 CG1 VAL A 110 -4.750 -6.073 -14.201 1.00 0.95 C ATOM 1720 CG2 VAL A 110 -3.922 -6.002 -11.832 1.00 0.87 C ATOM 0 H VAL A 110 -3.043 -4.034 -15.585 1.00 0.86 H new ATOM 0 HA VAL A 110 -2.899 -3.563 -12.698 1.00 0.84 H new ATOM 0 HB VAL A 110 -5.023 -4.452 -12.832 1.00 0.84 H new ATOM 0 HG11 VAL A 110 -5.581 -6.672 -13.827 1.00 0.95 H new ATOM 0 HG12 VAL A 110 -5.090 -5.464 -15.039 1.00 0.95 H new ATOM 0 HG13 VAL A 110 -3.948 -6.732 -14.533 1.00 0.95 H new ATOM 0 HG21 VAL A 110 -4.792 -6.608 -11.576 1.00 0.87 H new ATOM 0 HG22 VAL A 110 -3.072 -6.654 -12.035 1.00 0.87 H new ATOM 0 HG23 VAL A 110 -3.682 -5.342 -10.999 1.00 0.87 H new ATOM 1730 N LEU A 111 -0.886 -5.034 -12.693 1.00 0.90 N ATOM 1731 CA LEU A 111 0.450 -5.636 -12.704 1.00 1.02 C ATOM 1732 C LEU A 111 0.703 -6.240 -11.324 1.00 1.10 C ATOM 1733 O LEU A 111 0.578 -5.530 -10.329 1.00 1.21 O ATOM 1734 CB LEU A 111 1.506 -4.544 -12.978 1.00 1.19 C ATOM 1735 CG LEU A 111 1.415 -3.827 -14.339 1.00 1.32 C ATOM 1736 CD1 LEU A 111 2.378 -2.631 -14.355 1.00 1.84 C ATOM 1737 CD2 LEU A 111 1.752 -4.770 -15.503 1.00 1.69 C ATOM 0 H LEU A 111 -1.105 -4.583 -11.805 1.00 0.90 H new ATOM 0 HA LEU A 111 0.515 -6.400 -13.479 1.00 1.02 H new ATOM 0 HB2 LEU A 111 1.433 -3.793 -12.191 1.00 1.19 H new ATOM 0 HB3 LEU A 111 2.494 -4.997 -12.896 1.00 1.19 H new ATOM 0 HG LEU A 111 0.388 -3.486 -14.469 1.00 1.32 H new ATOM 0 HD11 LEU A 111 2.313 -2.124 -15.318 1.00 1.84 H new ATOM 0 HD12 LEU A 111 2.108 -1.936 -13.560 1.00 1.84 H new ATOM 0 HD13 LEU A 111 3.398 -2.983 -14.198 1.00 1.84 H new ATOM 0 HD21 LEU A 111 1.676 -4.227 -16.445 1.00 1.69 H new ATOM 0 HD22 LEU A 111 2.767 -5.148 -15.383 1.00 1.69 H new ATOM 0 HD23 LEU A 111 1.052 -5.605 -15.509 1.00 1.69 H new ATOM 1749 N LYS A 112 1.033 -7.530 -11.226 1.00 1.15 N ATOM 1750 CA LYS A 112 1.160 -8.171 -9.919 1.00 1.23 C ATOM 1751 C LYS A 112 2.597 -8.391 -9.430 1.00 1.16 C ATOM 1752 O LYS A 112 3.522 -8.588 -10.215 1.00 1.42 O ATOM 1753 CB LYS A 112 0.265 -9.405 -9.856 1.00 1.35 C ATOM 1754 CG LYS A 112 0.850 -10.757 -10.299 1.00 1.75 C ATOM 1755 CD LYS A 112 -0.221 -11.862 -10.232 1.00 1.57 C ATOM 1756 CE LYS A 112 -0.941 -11.852 -8.877 1.00 1.98 C ATOM 1757 NZ LYS A 112 -2.087 -12.774 -8.816 1.00 2.43 N ATOM 0 H LYS A 112 1.214 -8.141 -12.022 1.00 1.15 H new ATOM 0 HA LYS A 112 0.795 -7.459 -9.179 1.00 1.23 H new ATOM 0 HB2 LYS A 112 -0.079 -9.513 -8.827 1.00 1.35 H new ATOM 0 HB3 LYS A 112 -0.615 -9.208 -10.468 1.00 1.35 H new ATOM 0 HG2 LYS A 112 1.234 -10.677 -11.316 1.00 1.75 H new ATOM 0 HG3 LYS A 112 1.693 -11.021 -9.660 1.00 1.75 H new ATOM 0 HD2 LYS A 112 -0.946 -11.719 -11.033 1.00 1.57 H new ATOM 0 HD3 LYS A 112 0.245 -12.834 -10.393 1.00 1.57 H new ATOM 0 HE2 LYS A 112 -0.230 -12.116 -8.094 1.00 1.98 H new ATOM 0 HE3 LYS A 112 -1.287 -10.840 -8.665 1.00 1.98 H new ATOM 0 HZ1 LYS A 112 -2.920 -12.269 -8.451 1.00 2.43 H new ATOM 0 HZ2 LYS A 112 -2.292 -13.137 -9.769 1.00 2.43 H new ATOM 0 HZ3 LYS A 112 -1.860 -13.569 -8.185 1.00 2.43 H new ATOM 1771 N VAL A 113 2.750 -8.369 -8.106 1.00 0.94 N ATOM 1772 CA VAL A 113 4.008 -8.574 -7.373 1.00 0.95 C ATOM 1773 C VAL A 113 3.810 -9.600 -6.257 1.00 0.89 C ATOM 1774 O VAL A 113 2.682 -9.843 -5.826 1.00 0.88 O ATOM 1775 CB VAL A 113 4.564 -7.251 -6.786 1.00 1.04 C ATOM 1776 CG1 VAL A 113 4.899 -6.248 -7.902 1.00 1.20 C ATOM 1777 CG2 VAL A 113 3.626 -6.602 -5.752 1.00 1.22 C ATOM 0 H VAL A 113 1.962 -8.199 -7.480 1.00 0.94 H new ATOM 0 HA VAL A 113 4.741 -8.950 -8.087 1.00 0.95 H new ATOM 0 HB VAL A 113 5.479 -7.520 -6.258 1.00 1.04 H new ATOM 0 HG11 VAL A 113 5.287 -5.330 -7.461 1.00 1.20 H new ATOM 0 HG12 VAL A 113 5.650 -6.678 -8.564 1.00 1.20 H new ATOM 0 HG13 VAL A 113 3.998 -6.024 -8.473 1.00 1.20 H new ATOM 0 HG21 VAL A 113 4.075 -5.681 -5.381 1.00 1.22 H new ATOM 0 HG22 VAL A 113 2.668 -6.376 -6.221 1.00 1.22 H new ATOM 0 HG23 VAL A 113 3.470 -7.289 -4.921 1.00 1.22 H new ATOM 1787 N VAL A 114 4.923 -10.170 -5.787 1.00 0.96 N ATOM 1788 CA VAL A 114 4.979 -11.039 -4.604 1.00 0.94 C ATOM 1789 C VAL A 114 5.855 -10.402 -3.518 1.00 1.00 C ATOM 1790 O VAL A 114 7.041 -10.147 -3.735 1.00 1.40 O ATOM 1791 CB VAL A 114 5.390 -12.492 -4.957 1.00 1.11 C ATOM 1792 CG1 VAL A 114 6.801 -12.612 -5.568 1.00 1.71 C ATOM 1793 CG2 VAL A 114 5.261 -13.410 -3.731 1.00 1.89 C ATOM 0 H VAL A 114 5.833 -10.038 -6.228 1.00 0.96 H new ATOM 0 HA VAL A 114 3.973 -11.127 -4.194 1.00 0.94 H new ATOM 0 HB VAL A 114 4.694 -12.814 -5.731 1.00 1.11 H new ATOM 0 HG11 VAL A 114 7.015 -13.658 -5.787 1.00 1.71 H new ATOM 0 HG12 VAL A 114 6.849 -12.031 -6.489 1.00 1.71 H new ATOM 0 HG13 VAL A 114 7.538 -12.232 -4.860 1.00 1.71 H new ATOM 0 HG21 VAL A 114 5.555 -14.424 -4.003 1.00 1.89 H new ATOM 0 HG22 VAL A 114 5.909 -13.046 -2.934 1.00 1.89 H new ATOM 0 HG23 VAL A 114 4.227 -13.412 -3.385 1.00 1.89 H new ATOM 1803 N LEU A 115 5.251 -10.122 -2.358 1.00 0.83 N ATOM 1804 CA LEU A 115 5.886 -9.542 -1.160 1.00 0.88 C ATOM 1805 C LEU A 115 5.990 -10.615 -0.052 1.00 0.94 C ATOM 1806 O LEU A 115 5.118 -11.484 -0.003 1.00 1.18 O ATOM 1807 CB LEU A 115 5.033 -8.360 -0.639 1.00 0.93 C ATOM 1808 CG LEU A 115 4.654 -7.264 -1.658 1.00 1.04 C ATOM 1809 CD1 LEU A 115 3.882 -6.154 -0.930 1.00 1.50 C ATOM 1810 CD2 LEU A 115 5.873 -6.662 -2.369 1.00 1.47 C ATOM 0 H LEU A 115 4.257 -10.301 -2.218 1.00 0.83 H new ATOM 0 HA LEU A 115 6.883 -9.189 -1.423 1.00 0.88 H new ATOM 0 HB2 LEU A 115 4.112 -8.766 -0.221 1.00 0.93 H new ATOM 0 HB3 LEU A 115 5.574 -7.887 0.181 1.00 0.93 H new ATOM 0 HG LEU A 115 4.038 -7.729 -2.427 1.00 1.04 H new ATOM 0 HD11 LEU A 115 3.609 -5.374 -1.641 1.00 1.50 H new ATOM 0 HD12 LEU A 115 2.979 -6.571 -0.485 1.00 1.50 H new ATOM 0 HD13 LEU A 115 4.509 -5.728 -0.147 1.00 1.50 H new ATOM 0 HD21 LEU A 115 5.543 -5.898 -3.073 1.00 1.47 H new ATOM 0 HD22 LEU A 115 6.539 -6.213 -1.632 1.00 1.47 H new ATOM 0 HD23 LEU A 115 6.404 -7.447 -2.908 1.00 1.47 H new ATOM 1822 N PRO A 116 6.984 -10.581 0.857 1.00 0.85 N ATOM 1823 CA PRO A 116 7.020 -11.432 2.042 1.00 0.87 C ATOM 1824 C PRO A 116 6.146 -10.869 3.172 1.00 0.85 C ATOM 1825 O PRO A 116 5.931 -9.661 3.279 1.00 0.88 O ATOM 1826 CB PRO A 116 8.492 -11.461 2.463 1.00 0.91 C ATOM 1827 CG PRO A 116 8.985 -10.072 2.058 1.00 0.86 C ATOM 1828 CD PRO A 116 8.200 -9.792 0.776 1.00 0.81 C ATOM 0 HA PRO A 116 6.627 -12.426 1.830 1.00 0.87 H new ATOM 0 HB2 PRO A 116 8.604 -11.634 3.533 1.00 0.91 H new ATOM 0 HB3 PRO A 116 9.043 -12.251 1.953 1.00 0.91 H new ATOM 0 HG2 PRO A 116 8.778 -9.329 2.829 1.00 0.86 H new ATOM 0 HG3 PRO A 116 10.061 -10.060 1.884 1.00 0.86 H new ATOM 0 HD2 PRO A 116 7.969 -8.731 0.687 1.00 0.81 H new ATOM 0 HD3 PRO A 116 8.783 -10.066 -0.103 1.00 0.81 H new ATOM 1836 N VAL A 117 5.695 -11.745 4.066 1.00 0.88 N ATOM 1837 CA VAL A 117 5.145 -11.398 5.370 1.00 0.90 C ATOM 1838 C VAL A 117 6.288 -11.302 6.393 1.00 1.02 C ATOM 1839 O VAL A 117 7.258 -12.057 6.332 1.00 1.26 O ATOM 1840 CB VAL A 117 4.088 -12.434 5.797 1.00 0.92 C ATOM 1841 CG1 VAL A 117 3.461 -12.083 7.144 1.00 0.97 C ATOM 1842 CG2 VAL A 117 2.951 -12.520 4.765 1.00 0.95 C ATOM 0 H VAL A 117 5.703 -12.750 3.895 1.00 0.88 H new ATOM 0 HA VAL A 117 4.648 -10.429 5.315 1.00 0.90 H new ATOM 0 HB VAL A 117 4.611 -13.388 5.871 1.00 0.92 H new ATOM 0 HG11 VAL A 117 2.721 -12.838 7.409 1.00 0.97 H new ATOM 0 HG12 VAL A 117 4.237 -12.051 7.909 1.00 0.97 H new ATOM 0 HG13 VAL A 117 2.977 -11.109 7.077 1.00 0.97 H new ATOM 0 HG21 VAL A 117 2.219 -13.259 5.091 1.00 0.95 H new ATOM 0 HG22 VAL A 117 2.469 -11.547 4.673 1.00 0.95 H new ATOM 0 HG23 VAL A 117 3.359 -12.816 3.798 1.00 0.95 H new ATOM 1852 N GLU A 118 6.159 -10.381 7.348 1.00 1.01 N ATOM 1853 CA GLU A 118 7.140 -10.059 8.388 1.00 1.14 C ATOM 1854 C GLU A 118 6.388 -9.623 9.663 1.00 1.37 C ATOM 1855 O GLU A 118 5.164 -9.490 9.640 1.00 1.63 O ATOM 1856 CB GLU A 118 8.124 -9.004 7.836 1.00 1.17 C ATOM 1857 CG GLU A 118 9.603 -9.386 8.004 1.00 1.75 C ATOM 1858 CD GLU A 118 10.161 -8.879 9.327 1.00 2.29 C ATOM 1859 OE1 GLU A 118 9.792 -9.440 10.378 1.00 3.27 O ATOM 1860 OE2 GLU A 118 10.849 -7.834 9.302 1.00 2.86 O ATOM 0 H GLU A 118 5.320 -9.806 7.422 1.00 1.01 H new ATOM 0 HA GLU A 118 7.742 -10.923 8.667 1.00 1.14 H new ATOM 0 HB2 GLU A 118 7.917 -8.847 6.777 1.00 1.17 H new ATOM 0 HB3 GLU A 118 7.944 -8.054 8.340 1.00 1.17 H new ATOM 0 HG2 GLU A 118 9.708 -10.470 7.954 1.00 1.75 H new ATOM 0 HG3 GLU A 118 10.183 -8.971 7.180 1.00 1.75 H new ATOM 1867 N ALA A 119 7.066 -9.451 10.800 1.00 1.51 N ATOM 1868 CA ALA A 119 6.445 -9.447 12.132 1.00 1.96 C ATOM 1869 C ALA A 119 5.639 -8.181 12.513 1.00 2.14 C ATOM 1870 O ALA A 119 5.146 -8.090 13.637 1.00 3.01 O ATOM 1871 CB ALA A 119 7.547 -9.750 13.152 1.00 2.19 C ATOM 0 H ALA A 119 8.076 -9.308 10.825 1.00 1.51 H new ATOM 0 HA ALA A 119 5.672 -10.215 12.125 1.00 1.96 H new ATOM 0 HB1 ALA A 119 7.122 -9.755 14.156 1.00 2.19 H new ATOM 0 HB2 ALA A 119 7.983 -10.726 12.937 1.00 2.19 H new ATOM 0 HB3 ALA A 119 8.321 -8.985 13.090 1.00 2.19 H new ATOM 1877 N ARG A 120 5.512 -7.233 11.580 1.00 2.06 N ATOM 1878 CA ARG A 120 5.033 -5.837 11.695 1.00 2.42 C ATOM 1879 C ARG A 120 5.241 -5.125 10.370 1.00 2.76 C ATOM 1880 O ARG A 120 4.510 -4.159 10.081 1.00 3.18 O ATOM 1881 CB ARG A 120 5.737 -5.068 12.833 1.00 3.18 C ATOM 1882 CG ARG A 120 7.272 -5.036 12.719 1.00 3.37 C ATOM 1883 CD ARG A 120 7.877 -3.940 11.822 1.00 3.02 C ATOM 1884 NE ARG A 120 9.294 -4.231 11.542 1.00 3.01 N ATOM 1885 CZ ARG A 120 9.726 -5.218 10.776 1.00 3.82 C ATOM 1886 NH1 ARG A 120 8.955 -5.943 10.032 1.00 4.65 N ATOM 1887 NH2 ARG A 120 10.980 -5.541 10.746 1.00 4.76 N ATOM 1888 OXT ARG A 120 6.196 -5.546 9.678 1.00 3.85 O ATOM 0 H ARG A 120 5.769 -7.441 10.615 1.00 2.06 H new ATOM 0 HA ARG A 120 3.972 -5.865 11.942 1.00 2.42 H new ATOM 0 HB2 ARG A 120 5.364 -4.044 12.849 1.00 3.18 H new ATOM 0 HB3 ARG A 120 5.464 -5.522 13.786 1.00 3.18 H new ATOM 0 HG2 ARG A 120 7.685 -4.922 13.721 1.00 3.37 H new ATOM 0 HG3 ARG A 120 7.606 -6.004 12.345 1.00 3.37 H new ATOM 0 HD2 ARG A 120 7.320 -3.878 10.887 1.00 3.02 H new ATOM 0 HD3 ARG A 120 7.788 -2.970 12.311 1.00 3.02 H new ATOM 0 HE ARG A 120 9.994 -3.626 11.971 1.00 3.01 H new ATOM 0 HH11 ARG A 120 7.951 -5.767 10.014 1.00 4.65 H new ATOM 0 HH12 ARG A 120 9.352 -6.691 9.463 1.00 4.65 H new ATOM 0 HH21 ARG A 120 11.652 -5.031 11.319 1.00 4.76 H new ATOM 0 HH22 ARG A 120 11.296 -6.305 10.149 1.00 4.76 H new TER 1902 ARG A 120