USER MOD reduce.3.24.130724 H: found=0, std=0, add=970, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 970 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 46 HIS HD1 : A 46 HIS ND1 : A 121 CU1CU :(H bumps) USER MOD NoAdj-H: A 83 HIS HE2 : A 83 HIS NE2 : A 121 CU1CU :(H bumps) USER MOD Set 1.1: A 4 THR OG1 : rot -130:sc= 0 USER MOD Set 1.2: A 21 THR OG1 : rot -69:sc= -0.169 USER MOD Single : A 1 GLY N :NH3+ -110:sc= 0.203 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 158:sc= 1.24 USER MOD Single : A 15 ASN : amide:sc= -0.0169 K(o=-0.017,f=-2) USER MOD Single : A 19 TYR OH : rot 130:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.36 K(o=-0.36,f=-5.4!) USER MOD Single : A 37 THR OG1 : rot 89:sc= 0.729 USER MOD Single : A 48 THR OG1 : rot 85:sc= 1.05 USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -157:sc= 1.92 (180deg=0.188) USER MOD Single : A 57 LYS NZ :NH3+ 156:sc= 1.08 (180deg=0.0881) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl -172:sc= 0 (180deg=-0.121) USER MOD Single : A 72 LYS NZ :NH3+ 150:sc= 0.77! (180deg=0.264!) USER MOD Single : A 78 LYS NZ :NH3+ 154:sc= 2.06 (180deg=0.594) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ -177:sc= 1.17 (180deg=1.11) USER MOD Single : A 94 LYS NZ :NH3+ -131:sc= 2.1 (180deg=-0.0761) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ -109:sc= 0.404 (180deg=-2.04!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.387 1.869 9.909 1.00 9.74 N ATOM 2 CA GLY A 1 18.447 2.708 9.141 1.00 8.71 C ATOM 3 C GLY A 1 18.007 1.948 7.908 1.00 7.95 C ATOM 4 O GLY A 1 18.713 1.028 7.514 1.00 8.66 O ATOM 0 H1 GLY A 1 18.933 1.557 10.791 1.00 9.74 H new ATOM 0 H2 GLY A 1 19.652 1.038 9.343 1.00 9.74 H new ATOM 0 H3 GLY A 1 20.239 2.420 10.135 1.00 9.74 H new ATOM 0 HA2 GLY A 1 17.583 2.964 9.754 1.00 8.71 H new ATOM 0 HA3 GLY A 1 18.925 3.645 8.856 1.00 8.71 H new ATOM 10 N SER A 2 16.870 2.310 7.326 1.00 6.98 N ATOM 11 CA SER A 2 16.223 1.578 6.229 1.00 6.63 C ATOM 12 C SER A 2 15.612 2.578 5.244 1.00 5.57 C ATOM 13 O SER A 2 15.385 3.727 5.610 1.00 5.30 O ATOM 14 CB SER A 2 15.123 0.661 6.791 1.00 7.09 C ATOM 15 OG SER A 2 15.657 -0.201 7.786 1.00 8.30 O ATOM 0 H SER A 2 16.353 3.143 7.608 1.00 6.98 H new ATOM 0 HA SER A 2 16.964 0.967 5.714 1.00 6.63 H new ATOM 0 HB2 SER A 2 14.320 1.264 7.216 1.00 7.09 H new ATOM 0 HB3 SER A 2 14.686 0.071 5.986 1.00 7.09 H new ATOM 0 HG SER A 2 14.946 -0.777 8.136 1.00 8.30 H new ATOM 21 N PHE A 3 15.329 2.143 4.017 1.00 5.77 N ATOM 22 CA PHE A 3 14.705 2.938 2.949 1.00 5.57 C ATOM 23 C PHE A 3 13.159 2.876 2.989 1.00 4.46 C ATOM 24 O PHE A 3 12.464 3.307 2.068 1.00 5.00 O ATOM 25 CB PHE A 3 15.272 2.394 1.628 1.00 7.29 C ATOM 26 CG PHE A 3 14.851 0.968 1.330 1.00 8.51 C ATOM 27 CD1 PHE A 3 15.583 -0.121 1.845 1.00 9.05 C ATOM 28 CD2 PHE A 3 13.683 0.732 0.584 1.00 9.70 C ATOM 29 CE1 PHE A 3 15.127 -1.436 1.647 1.00 10.48 C ATOM 30 CE2 PHE A 3 13.231 -0.581 0.385 1.00 11.19 C ATOM 31 CZ PHE A 3 13.945 -1.665 0.922 1.00 11.47 C ATOM 0 H PHE A 3 15.535 1.188 3.723 1.00 5.77 H new ATOM 0 HA PHE A 3 14.938 3.996 3.070 1.00 5.57 H new ATOM 0 HB2 PHE A 3 14.948 3.038 0.810 1.00 7.29 H new ATOM 0 HB3 PHE A 3 16.360 2.444 1.661 1.00 7.29 H new ATOM 0 HD1 PHE A 3 16.497 0.055 2.393 1.00 9.05 H new ATOM 0 HD2 PHE A 3 13.134 1.562 0.164 1.00 9.70 H new ATOM 0 HE1 PHE A 3 15.684 -2.268 2.051 1.00 10.48 H new ATOM 0 HE2 PHE A 3 12.330 -0.759 -0.184 1.00 11.19 H new ATOM 0 HZ PHE A 3 13.586 -2.673 0.778 1.00 11.47 H new ATOM 41 N THR A 4 12.603 2.267 4.041 1.00 3.36 N ATOM 42 CA THR A 4 11.216 1.810 4.116 1.00 2.75 C ATOM 43 C THR A 4 10.840 1.497 5.557 1.00 1.78 C ATOM 44 O THR A 4 11.687 1.125 6.372 1.00 2.63 O ATOM 45 CB THR A 4 10.983 0.642 3.145 1.00 3.87 C ATOM 46 OG1 THR A 4 9.600 0.440 2.997 1.00 4.94 O ATOM 47 CG2 THR A 4 11.625 -0.674 3.587 1.00 4.76 C ATOM 0 H THR A 4 13.128 2.073 4.894 1.00 3.36 H new ATOM 0 HA THR A 4 10.545 2.607 3.794 1.00 2.75 H new ATOM 0 HB THR A 4 11.458 0.923 2.205 1.00 3.87 H new ATOM 0 HG1 THR A 4 9.392 -0.509 3.129 1.00 4.94 H new ATOM 0 HG21 THR A 4 11.414 -1.448 2.849 1.00 4.76 H new ATOM 0 HG22 THR A 4 12.703 -0.541 3.676 1.00 4.76 H new ATOM 0 HG23 THR A 4 11.215 -0.973 4.552 1.00 4.76 H new ATOM 55 N GLU A 5 9.563 1.729 5.839 1.00 1.26 N ATOM 56 CA GLU A 5 8.982 2.026 7.147 1.00 1.30 C ATOM 57 C GLU A 5 7.469 1.717 7.087 1.00 1.14 C ATOM 58 O GLU A 5 6.626 2.607 7.186 1.00 1.41 O ATOM 59 CB GLU A 5 9.314 3.494 7.533 1.00 2.59 C ATOM 60 CG GLU A 5 9.069 4.520 6.415 1.00 3.83 C ATOM 61 CD GLU A 5 9.449 5.961 6.727 1.00 4.93 C ATOM 62 OE1 GLU A 5 10.488 6.185 7.376 1.00 5.23 O ATOM 63 OE2 GLU A 5 8.724 6.858 6.233 1.00 6.00 O ATOM 0 H GLU A 5 8.853 1.714 5.107 1.00 1.26 H new ATOM 0 HA GLU A 5 9.405 1.403 7.935 1.00 1.30 H new ATOM 0 HB2 GLU A 5 8.716 3.772 8.401 1.00 2.59 H new ATOM 0 HB3 GLU A 5 10.360 3.549 7.836 1.00 2.59 H new ATOM 0 HG2 GLU A 5 9.624 4.203 5.532 1.00 3.83 H new ATOM 0 HG3 GLU A 5 8.011 4.494 6.153 1.00 3.83 H new ATOM 70 N GLY A 6 7.111 0.461 6.777 1.00 1.05 N ATOM 71 CA GLY A 6 5.736 0.069 6.424 1.00 0.99 C ATOM 72 C GLY A 6 5.373 -1.364 6.805 1.00 0.84 C ATOM 73 O GLY A 6 6.249 -2.160 7.135 1.00 1.02 O ATOM 0 H GLY A 6 7.771 -0.316 6.764 1.00 1.05 H new ATOM 0 HA2 GLY A 6 5.040 0.750 6.913 1.00 0.99 H new ATOM 0 HA3 GLY A 6 5.600 0.192 5.350 1.00 0.99 H new ATOM 77 N TRP A 7 4.074 -1.688 6.744 1.00 0.81 N ATOM 78 CA TRP A 7 3.522 -2.963 7.217 1.00 0.74 C ATOM 79 C TRP A 7 2.228 -3.414 6.505 1.00 0.63 C ATOM 80 O TRP A 7 1.600 -2.664 5.757 1.00 0.63 O ATOM 81 CB TRP A 7 3.343 -2.894 8.743 1.00 0.87 C ATOM 82 CG TRP A 7 2.263 -2.004 9.281 1.00 0.89 C ATOM 83 CD1 TRP A 7 1.042 -2.418 9.688 1.00 0.98 C ATOM 84 CD2 TRP A 7 2.318 -0.575 9.593 1.00 1.23 C ATOM 85 NE1 TRP A 7 0.333 -1.352 10.202 1.00 1.22 N ATOM 86 CE2 TRP A 7 1.080 -0.194 10.189 1.00 1.39 C ATOM 87 CE3 TRP A 7 3.303 0.430 9.475 1.00 1.64 C ATOM 88 CZ2 TRP A 7 0.830 1.106 10.650 1.00 1.84 C ATOM 89 CZ3 TRP A 7 3.058 1.747 9.911 1.00 2.11 C ATOM 90 CH2 TRP A 7 1.827 2.086 10.500 1.00 2.18 C ATOM 0 H TRP A 7 3.367 -1.061 6.359 1.00 0.81 H new ATOM 0 HA TRP A 7 4.243 -3.738 6.957 1.00 0.74 H new ATOM 0 HB2 TRP A 7 3.155 -3.905 9.104 1.00 0.87 H new ATOM 0 HB3 TRP A 7 4.290 -2.572 9.177 1.00 0.87 H new ATOM 0 HD1 TRP A 7 0.676 -3.432 9.621 1.00 0.98 H new ATOM 0 HE1 TRP A 7 -0.624 -1.413 10.548 1.00 1.22 H new ATOM 0 HE3 TRP A 7 4.262 0.184 9.043 1.00 1.64 H new ATOM 0 HZ2 TRP A 7 -0.114 1.351 11.113 1.00 1.84 H new ATOM 0 HZ3 TRP A 7 3.821 2.502 9.792 1.00 2.11 H new ATOM 0 HH2 TRP A 7 1.648 3.097 10.836 1.00 2.18 H new ATOM 101 N VAL A 8 1.831 -4.665 6.756 1.00 0.71 N ATOM 102 CA VAL A 8 0.523 -5.253 6.400 1.00 0.80 C ATOM 103 C VAL A 8 -0.280 -5.384 7.696 1.00 0.94 C ATOM 104 O VAL A 8 0.313 -5.659 8.738 1.00 1.23 O ATOM 105 CB VAL A 8 0.678 -6.655 5.748 1.00 0.91 C ATOM 106 CG1 VAL A 8 -0.679 -7.292 5.391 1.00 1.19 C ATOM 107 CG2 VAL A 8 1.519 -6.575 4.465 1.00 1.02 C ATOM 0 H VAL A 8 2.436 -5.332 7.235 1.00 0.71 H new ATOM 0 HA VAL A 8 0.023 -4.612 5.674 1.00 0.80 H new ATOM 0 HB VAL A 8 1.176 -7.277 6.492 1.00 0.91 H new ATOM 0 HG11 VAL A 8 -0.514 -8.270 4.939 1.00 1.19 H new ATOM 0 HG12 VAL A 8 -1.276 -7.407 6.296 1.00 1.19 H new ATOM 0 HG13 VAL A 8 -1.208 -6.651 4.686 1.00 1.19 H new ATOM 0 HG21 VAL A 8 1.612 -7.569 4.028 1.00 1.02 H new ATOM 0 HG22 VAL A 8 1.032 -5.910 3.752 1.00 1.02 H new ATOM 0 HG23 VAL A 8 2.510 -6.189 4.703 1.00 1.02 H new ATOM 117 N ARG A 9 -1.606 -5.192 7.651 1.00 1.03 N ATOM 118 CA ARG A 9 -2.443 -5.400 8.845 1.00 1.24 C ATOM 119 C ARG A 9 -2.634 -6.886 9.207 1.00 1.22 C ATOM 120 O ARG A 9 -1.741 -7.478 9.802 1.00 2.28 O ATOM 121 CB ARG A 9 -3.730 -4.567 8.816 1.00 1.73 C ATOM 122 CG ARG A 9 -4.743 -4.799 7.668 1.00 1.69 C ATOM 123 CD ARG A 9 -6.165 -5.143 8.160 1.00 2.55 C ATOM 124 NE ARG A 9 -6.624 -4.268 9.251 1.00 2.69 N ATOM 125 CZ ARG A 9 -7.071 -3.025 9.195 1.00 3.16 C ATOM 126 NH1 ARG A 9 -7.255 -2.393 8.053 1.00 3.91 N ATOM 127 NH2 ARG A 9 -7.313 -2.404 10.326 1.00 3.78 N ATOM 0 H ARG A 9 -2.116 -4.898 6.818 1.00 1.03 H new ATOM 0 HA ARG A 9 -1.881 -5.002 9.690 1.00 1.24 H new ATOM 0 HB2 ARG A 9 -4.253 -4.735 9.757 1.00 1.73 H new ATOM 0 HB3 ARG A 9 -3.442 -3.516 8.795 1.00 1.73 H new ATOM 0 HG2 ARG A 9 -4.789 -3.904 7.048 1.00 1.69 H new ATOM 0 HG3 ARG A 9 -4.381 -5.608 7.033 1.00 1.69 H new ATOM 0 HD2 ARG A 9 -6.861 -5.068 7.324 1.00 2.55 H new ATOM 0 HD3 ARG A 9 -6.185 -6.179 8.499 1.00 2.55 H new ATOM 0 HE ARG A 9 -6.593 -4.680 10.184 1.00 2.69 H new ATOM 0 HH11 ARG A 9 -7.051 -2.863 7.171 1.00 3.91 H new ATOM 0 HH12 ARG A 9 -7.602 -1.434 8.051 1.00 3.91 H new ATOM 0 HH21 ARG A 9 -7.155 -2.881 11.214 1.00 3.78 H new ATOM 0 HH22 ARG A 9 -7.659 -1.444 10.317 1.00 3.78 H new ATOM 141 N PHE A 10 -3.775 -7.483 8.847 1.00 0.86 N ATOM 142 CA PHE A 10 -4.257 -8.779 9.317 1.00 0.84 C ATOM 143 C PHE A 10 -5.323 -9.311 8.349 1.00 0.71 C ATOM 144 O PHE A 10 -6.139 -8.520 7.880 1.00 0.91 O ATOM 145 CB PHE A 10 -4.876 -8.574 10.709 1.00 1.21 C ATOM 146 CG PHE A 10 -5.522 -9.815 11.291 1.00 1.31 C ATOM 147 CD1 PHE A 10 -4.752 -10.739 12.015 1.00 1.78 C ATOM 148 CD2 PHE A 10 -6.896 -10.056 11.092 1.00 2.36 C ATOM 149 CE1 PHE A 10 -5.345 -11.901 12.537 1.00 1.86 C ATOM 150 CE2 PHE A 10 -7.487 -11.224 11.603 1.00 2.49 C ATOM 151 CZ PHE A 10 -6.714 -12.146 12.327 1.00 1.61 C ATOM 0 H PHE A 10 -4.418 -7.049 8.185 1.00 0.86 H new ATOM 0 HA PHE A 10 -3.439 -9.498 9.367 1.00 0.84 H new ATOM 0 HB2 PHE A 10 -4.100 -8.228 11.392 1.00 1.21 H new ATOM 0 HB3 PHE A 10 -5.624 -7.783 10.649 1.00 1.21 H new ATOM 0 HD1 PHE A 10 -3.699 -10.556 12.171 1.00 1.78 H new ATOM 0 HD2 PHE A 10 -7.495 -9.342 10.546 1.00 2.36 H new ATOM 0 HE1 PHE A 10 -4.750 -12.606 13.099 1.00 1.86 H new ATOM 0 HE2 PHE A 10 -8.538 -11.413 11.439 1.00 2.49 H new ATOM 0 HZ PHE A 10 -7.170 -13.042 12.722 1.00 1.61 H new ATOM 161 N SER A 11 -5.344 -10.631 8.125 1.00 0.77 N ATOM 162 CA SER A 11 -6.396 -11.395 7.429 1.00 0.88 C ATOM 163 C SER A 11 -5.973 -12.858 7.189 1.00 0.96 C ATOM 164 O SER A 11 -4.849 -13.096 6.734 1.00 1.06 O ATOM 165 CB SER A 11 -6.777 -10.795 6.069 1.00 1.08 C ATOM 166 OG SER A 11 -7.889 -11.478 5.527 1.00 2.31 O ATOM 0 H SER A 11 -4.584 -11.233 8.442 1.00 0.77 H new ATOM 0 HA SER A 11 -7.259 -11.348 8.094 1.00 0.88 H new ATOM 0 HB2 SER A 11 -7.012 -9.737 6.183 1.00 1.08 H new ATOM 0 HB3 SER A 11 -5.931 -10.862 5.384 1.00 1.08 H new ATOM 0 HG SER A 11 -8.341 -10.902 4.875 1.00 2.31 H new ATOM 172 N PRO A 12 -6.851 -13.855 7.423 1.00 1.15 N ATOM 173 CA PRO A 12 -6.636 -15.226 6.955 1.00 1.30 C ATOM 174 C PRO A 12 -6.934 -15.373 5.452 1.00 1.15 C ATOM 175 O PRO A 12 -6.372 -16.236 4.782 1.00 1.26 O ATOM 176 CB PRO A 12 -7.611 -16.061 7.784 1.00 1.60 C ATOM 177 CG PRO A 12 -8.793 -15.120 8.010 1.00 1.58 C ATOM 178 CD PRO A 12 -8.130 -13.746 8.115 1.00 1.33 C ATOM 0 HA PRO A 12 -5.599 -15.538 7.076 1.00 1.30 H new ATOM 0 HB2 PRO A 12 -7.914 -16.965 7.255 1.00 1.60 H new ATOM 0 HB3 PRO A 12 -7.165 -16.378 8.727 1.00 1.60 H new ATOM 0 HG2 PRO A 12 -9.505 -15.162 7.185 1.00 1.58 H new ATOM 0 HG3 PRO A 12 -9.341 -15.373 8.917 1.00 1.58 H new ATOM 0 HD2 PRO A 12 -8.754 -12.977 7.660 1.00 1.33 H new ATOM 0 HD3 PRO A 12 -7.985 -13.463 9.158 1.00 1.33 H new ATOM 186 N GLY A 13 -7.824 -14.523 4.936 1.00 1.03 N ATOM 187 CA GLY A 13 -8.336 -14.520 3.571 1.00 0.97 C ATOM 188 C GLY A 13 -9.794 -14.032 3.525 1.00 0.97 C ATOM 189 O GLY A 13 -10.408 -13.846 4.575 1.00 1.05 O ATOM 0 H GLY A 13 -8.229 -13.774 5.497 1.00 1.03 H new ATOM 0 HA2 GLY A 13 -7.715 -13.877 2.948 1.00 0.97 H new ATOM 0 HA3 GLY A 13 -8.273 -15.525 3.154 1.00 0.97 H new ATOM 193 N PRO A 14 -10.361 -13.813 2.323 1.00 0.93 N ATOM 194 CA PRO A 14 -9.724 -13.980 1.016 1.00 0.92 C ATOM 195 C PRO A 14 -8.797 -12.812 0.645 1.00 0.89 C ATOM 196 O PRO A 14 -8.083 -12.904 -0.351 1.00 0.96 O ATOM 197 CB PRO A 14 -10.898 -14.070 0.038 1.00 0.98 C ATOM 198 CG PRO A 14 -11.947 -13.154 0.668 1.00 1.01 C ATOM 199 CD PRO A 14 -11.747 -13.391 2.163 1.00 0.99 C ATOM 0 HA PRO A 14 -9.079 -14.858 1.002 1.00 0.92 H new ATOM 0 HB2 PRO A 14 -10.617 -13.734 -0.960 1.00 0.98 H new ATOM 0 HB3 PRO A 14 -11.263 -15.092 -0.060 1.00 0.98 H new ATOM 0 HG2 PRO A 14 -11.787 -12.110 0.399 1.00 1.01 H new ATOM 0 HG3 PRO A 14 -12.956 -13.414 0.348 1.00 1.01 H new ATOM 0 HD2 PRO A 14 -11.946 -12.483 2.732 1.00 0.99 H new ATOM 0 HD3 PRO A 14 -12.432 -14.154 2.532 1.00 0.99 H new ATOM 207 N ASN A 15 -8.797 -11.717 1.412 1.00 0.82 N ATOM 208 CA ASN A 15 -8.168 -10.453 1.054 1.00 0.63 C ATOM 209 C ASN A 15 -7.698 -9.635 2.276 1.00 0.50 C ATOM 210 O ASN A 15 -8.050 -9.907 3.421 1.00 0.70 O ATOM 211 CB ASN A 15 -9.139 -9.643 0.180 1.00 0.77 C ATOM 212 CG ASN A 15 -10.411 -9.186 0.888 1.00 1.12 C ATOM 213 OD1 ASN A 15 -10.800 -9.677 1.933 1.00 1.89 O ATOM 214 ND2 ASN A 15 -11.094 -8.210 0.325 1.00 1.43 N ATOM 0 H ASN A 15 -9.250 -11.691 2.326 1.00 0.82 H new ATOM 0 HA ASN A 15 -7.261 -10.679 0.494 1.00 0.63 H new ATOM 0 HB2 ASN A 15 -8.617 -8.765 -0.200 1.00 0.77 H new ATOM 0 HB3 ASN A 15 -9.418 -10.247 -0.683 1.00 0.77 H new ATOM 0 HD21 ASN A 15 -11.948 -7.866 0.764 1.00 1.43 H new ATOM 0 HD22 ASN A 15 -10.769 -7.799 -0.550 1.00 1.43 H new ATOM 221 N ALA A 16 -6.902 -8.606 1.999 1.00 0.42 N ATOM 222 CA ALA A 16 -6.205 -7.737 2.950 1.00 0.46 C ATOM 223 C ALA A 16 -5.974 -6.324 2.370 1.00 0.46 C ATOM 224 O ALA A 16 -6.386 -6.035 1.246 1.00 0.40 O ATOM 225 CB ALA A 16 -4.883 -8.428 3.328 1.00 0.54 C ATOM 0 H ALA A 16 -6.712 -8.336 1.034 1.00 0.42 H new ATOM 0 HA ALA A 16 -6.815 -7.591 3.842 1.00 0.46 H new ATOM 0 HB1 ALA A 16 -4.337 -7.806 4.037 1.00 0.54 H new ATOM 0 HB2 ALA A 16 -5.095 -9.396 3.783 1.00 0.54 H new ATOM 0 HB3 ALA A 16 -4.279 -8.573 2.432 1.00 0.54 H new ATOM 231 N ALA A 17 -5.301 -5.452 3.124 1.00 0.57 N ATOM 232 CA ALA A 17 -4.793 -4.153 2.672 1.00 0.54 C ATOM 233 C ALA A 17 -3.376 -3.953 3.246 1.00 0.61 C ATOM 234 O ALA A 17 -3.137 -4.285 4.412 1.00 0.97 O ATOM 235 CB ALA A 17 -5.730 -3.049 3.173 1.00 0.64 C ATOM 0 H ALA A 17 -5.086 -5.638 4.104 1.00 0.57 H new ATOM 0 HA ALA A 17 -4.751 -4.114 1.583 1.00 0.54 H new ATOM 0 HB1 ALA A 17 -5.360 -2.079 2.841 1.00 0.64 H new ATOM 0 HB2 ALA A 17 -6.731 -3.212 2.773 1.00 0.64 H new ATOM 0 HB3 ALA A 17 -5.767 -3.070 4.262 1.00 0.64 H new ATOM 241 N ALA A 18 -2.458 -3.408 2.449 1.00 0.46 N ATOM 242 CA ALA A 18 -1.070 -3.146 2.807 1.00 0.49 C ATOM 243 C ALA A 18 -0.796 -1.636 2.832 1.00 0.49 C ATOM 244 O ALA A 18 -1.282 -0.870 1.995 1.00 0.54 O ATOM 245 CB ALA A 18 -0.145 -3.872 1.818 1.00 0.60 C ATOM 0 H ALA A 18 -2.674 -3.125 1.493 1.00 0.46 H new ATOM 0 HA ALA A 18 -0.873 -3.527 3.809 1.00 0.49 H new ATOM 0 HB1 ALA A 18 0.894 -3.678 2.083 1.00 0.60 H new ATOM 0 HB2 ALA A 18 -0.337 -4.944 1.861 1.00 0.60 H new ATOM 0 HB3 ALA A 18 -0.336 -3.509 0.808 1.00 0.60 H new ATOM 251 N TYR A 19 0.015 -1.243 3.809 1.00 0.54 N ATOM 252 CA TYR A 19 0.323 0.134 4.188 1.00 0.60 C ATOM 253 C TYR A 19 1.838 0.405 4.087 1.00 0.71 C ATOM 254 O TYR A 19 2.555 0.462 5.088 1.00 1.10 O ATOM 255 CB TYR A 19 -0.243 0.368 5.602 1.00 0.68 C ATOM 256 CG TYR A 19 -1.740 0.131 5.712 1.00 0.80 C ATOM 257 CD1 TYR A 19 -2.631 0.910 4.950 1.00 1.86 C ATOM 258 CD2 TYR A 19 -2.249 -0.873 6.561 1.00 1.94 C ATOM 259 CE1 TYR A 19 -4.022 0.682 5.026 1.00 2.00 C ATOM 260 CE2 TYR A 19 -3.637 -1.084 6.660 1.00 2.05 C ATOM 261 CZ TYR A 19 -4.529 -0.308 5.891 1.00 1.25 C ATOM 262 OH TYR A 19 -5.874 -0.492 5.995 1.00 1.52 O ATOM 0 H TYR A 19 0.506 -1.919 4.394 1.00 0.54 H new ATOM 0 HA TYR A 19 -0.143 0.843 3.504 1.00 0.60 H new ATOM 0 HB2 TYR A 19 0.272 -0.290 6.302 1.00 0.68 H new ATOM 0 HB3 TYR A 19 -0.024 1.392 5.906 1.00 0.68 H new ATOM 0 HD1 TYR A 19 -2.248 1.686 4.304 1.00 1.86 H new ATOM 0 HD2 TYR A 19 -1.570 -1.483 7.138 1.00 1.94 H new ATOM 0 HE1 TYR A 19 -4.698 1.267 4.420 1.00 2.00 H new ATOM 0 HE2 TYR A 19 -4.020 -1.842 7.327 1.00 2.05 H new ATOM 0 HH TYR A 19 -6.083 -1.443 5.887 1.00 1.52 H new ATOM 272 N LEU A 20 2.355 0.464 2.852 1.00 1.00 N ATOM 273 CA LEU A 20 3.798 0.518 2.563 1.00 1.09 C ATOM 274 C LEU A 20 4.345 1.953 2.473 1.00 1.00 C ATOM 275 O LEU A 20 3.594 2.904 2.277 1.00 0.87 O ATOM 276 CB LEU A 20 4.102 -0.332 1.311 1.00 1.31 C ATOM 277 CG LEU A 20 3.698 0.267 -0.056 1.00 1.35 C ATOM 278 CD1 LEU A 20 4.753 1.216 -0.648 1.00 1.98 C ATOM 279 CD2 LEU A 20 3.474 -0.858 -1.069 1.00 1.59 C ATOM 0 H LEU A 20 1.776 0.476 2.013 1.00 1.00 H new ATOM 0 HA LEU A 20 4.334 0.085 3.408 1.00 1.09 H new ATOM 0 HB2 LEU A 20 5.173 -0.534 1.290 1.00 1.31 H new ATOM 0 HB3 LEU A 20 3.599 -1.292 1.423 1.00 1.31 H new ATOM 0 HG LEU A 20 2.789 0.840 0.129 1.00 1.35 H new ATOM 0 HD11 LEU A 20 4.402 1.598 -1.607 1.00 1.98 H new ATOM 0 HD12 LEU A 20 4.918 2.049 0.036 1.00 1.98 H new ATOM 0 HD13 LEU A 20 5.688 0.675 -0.794 1.00 1.98 H new ATOM 0 HD21 LEU A 20 3.190 -0.431 -2.030 1.00 1.59 H new ATOM 0 HD22 LEU A 20 4.393 -1.432 -1.185 1.00 1.59 H new ATOM 0 HD23 LEU A 20 2.679 -1.514 -0.714 1.00 1.59 H new ATOM 291 N THR A 21 5.671 2.112 2.533 1.00 1.21 N ATOM 292 CA THR A 21 6.316 3.422 2.351 1.00 1.26 C ATOM 293 C THR A 21 6.768 3.590 0.916 1.00 1.65 C ATOM 294 O THR A 21 7.547 2.775 0.425 1.00 1.89 O ATOM 295 CB THR A 21 7.521 3.624 3.263 1.00 1.45 C ATOM 296 OG1 THR A 21 7.291 2.894 4.434 1.00 1.85 O ATOM 297 CG2 THR A 21 7.737 5.126 3.493 1.00 1.72 C ATOM 0 H THR A 21 6.324 1.348 2.707 1.00 1.21 H new ATOM 0 HA THR A 21 5.565 4.168 2.612 1.00 1.26 H new ATOM 0 HB THR A 21 8.447 3.255 2.821 1.00 1.45 H new ATOM 0 HG1 THR A 21 6.564 3.311 4.942 1.00 1.85 H new ATOM 0 HG21 THR A 21 8.598 5.274 4.145 1.00 1.72 H new ATOM 0 HG22 THR A 21 7.916 5.618 2.537 1.00 1.72 H new ATOM 0 HG23 THR A 21 6.850 5.554 3.961 1.00 1.72 H new ATOM 305 N LEU A 22 6.324 4.667 0.260 1.00 1.93 N ATOM 306 CA LEU A 22 6.923 5.043 -1.029 1.00 2.28 C ATOM 307 C LEU A 22 7.988 6.107 -0.768 1.00 1.92 C ATOM 308 O LEU A 22 7.657 7.266 -0.530 1.00 1.99 O ATOM 309 CB LEU A 22 5.844 5.460 -2.055 1.00 2.73 C ATOM 310 CG LEU A 22 6.384 6.138 -3.331 1.00 3.47 C ATOM 311 CD1 LEU A 22 7.329 5.249 -4.139 1.00 3.52 C ATOM 312 CD2 LEU A 22 5.205 6.594 -4.204 1.00 5.17 C ATOM 0 H LEU A 22 5.575 5.279 0.585 1.00 1.93 H new ATOM 0 HA LEU A 22 7.415 4.187 -1.492 1.00 2.28 H new ATOM 0 HB2 LEU A 22 5.278 4.575 -2.344 1.00 2.73 H new ATOM 0 HB3 LEU A 22 5.145 6.140 -1.568 1.00 2.73 H new ATOM 0 HG LEU A 22 6.975 6.996 -3.012 1.00 3.47 H new ATOM 0 HD11 LEU A 22 7.670 5.789 -5.022 1.00 3.52 H new ATOM 0 HD12 LEU A 22 8.188 4.978 -3.525 1.00 3.52 H new ATOM 0 HD13 LEU A 22 6.804 4.345 -4.447 1.00 3.52 H new ATOM 0 HD21 LEU A 22 5.584 7.073 -5.106 1.00 5.17 H new ATOM 0 HD22 LEU A 22 4.600 5.730 -4.479 1.00 5.17 H new ATOM 0 HD23 LEU A 22 4.592 7.303 -3.647 1.00 5.17 H new ATOM 324 N GLU A 23 9.259 5.727 -0.817 1.00 1.65 N ATOM 325 CA GLU A 23 10.378 6.669 -0.894 1.00 1.43 C ATOM 326 C GLU A 23 10.631 7.145 -2.337 1.00 1.60 C ATOM 327 O GLU A 23 10.093 6.600 -3.301 1.00 2.43 O ATOM 328 CB GLU A 23 11.655 6.042 -0.301 1.00 1.74 C ATOM 329 CG GLU A 23 12.059 4.735 -1.011 1.00 3.34 C ATOM 330 CD GLU A 23 13.554 4.409 -0.981 1.00 4.32 C ATOM 331 OE1 GLU A 23 14.353 5.213 -0.450 1.00 4.26 O ATOM 332 OE2 GLU A 23 13.894 3.372 -1.590 1.00 5.87 O ATOM 0 H GLU A 23 9.549 4.749 -0.805 1.00 1.65 H new ATOM 0 HA GLU A 23 10.108 7.545 -0.304 1.00 1.43 H new ATOM 0 HB2 GLU A 23 12.474 6.758 -0.373 1.00 1.74 H new ATOM 0 HB3 GLU A 23 11.498 5.842 0.759 1.00 1.74 H new ATOM 0 HG2 GLU A 23 11.515 3.909 -0.553 1.00 3.34 H new ATOM 0 HG3 GLU A 23 11.737 4.791 -2.051 1.00 3.34 H new ATOM 339 N ASN A 24 11.506 8.136 -2.483 1.00 0.99 N ATOM 340 CA ASN A 24 12.258 8.372 -3.707 1.00 0.85 C ATOM 341 C ASN A 24 13.736 8.641 -3.357 1.00 0.90 C ATOM 342 O ASN A 24 14.076 9.758 -2.955 1.00 0.93 O ATOM 343 CB ASN A 24 11.627 9.533 -4.489 1.00 0.75 C ATOM 344 CG ASN A 24 12.253 9.672 -5.871 1.00 0.71 C ATOM 345 OD1 ASN A 24 13.265 9.061 -6.193 1.00 1.34 O ATOM 346 ND2 ASN A 24 11.657 10.454 -6.748 1.00 0.83 N ATOM 0 H ASN A 24 11.714 8.806 -1.743 1.00 0.99 H new ATOM 0 HA ASN A 24 12.223 7.491 -4.347 1.00 0.85 H new ATOM 0 HB2 ASN A 24 10.554 9.367 -4.588 1.00 0.75 H new ATOM 0 HB3 ASN A 24 11.756 10.462 -3.933 1.00 0.75 H new ATOM 0 HD21 ASN A 24 12.038 10.548 -7.689 1.00 0.83 H new ATOM 0 HD22 ASN A 24 10.814 10.965 -6.486 1.00 0.83 H new ATOM 353 N PRO A 25 14.625 7.646 -3.512 1.00 1.07 N ATOM 354 CA PRO A 25 16.048 7.796 -3.228 1.00 1.26 C ATOM 355 C PRO A 25 16.824 8.454 -4.380 1.00 1.24 C ATOM 356 O PRO A 25 17.978 8.840 -4.194 1.00 1.42 O ATOM 357 CB PRO A 25 16.537 6.365 -2.984 1.00 1.55 C ATOM 358 CG PRO A 25 15.638 5.534 -3.902 1.00 1.49 C ATOM 359 CD PRO A 25 14.309 6.268 -3.859 1.00 1.26 C ATOM 0 HA PRO A 25 16.212 8.456 -2.377 1.00 1.26 H new ATOM 0 HB2 PRO A 25 17.591 6.249 -3.238 1.00 1.55 H new ATOM 0 HB3 PRO A 25 16.427 6.073 -1.939 1.00 1.55 H new ATOM 0 HG2 PRO A 25 16.036 5.484 -4.915 1.00 1.49 H new ATOM 0 HG3 PRO A 25 15.541 4.508 -3.547 1.00 1.49 H new ATOM 0 HD2 PRO A 25 13.802 6.214 -4.822 1.00 1.26 H new ATOM 0 HD3 PRO A 25 13.641 5.823 -3.122 1.00 1.26 H new ATOM 367 N GLY A 26 16.216 8.591 -5.566 1.00 1.09 N ATOM 368 CA GLY A 26 16.852 9.143 -6.751 1.00 1.13 C ATOM 369 C GLY A 26 16.757 10.660 -6.811 1.00 0.97 C ATOM 370 O GLY A 26 16.199 11.326 -5.942 1.00 1.19 O ATOM 0 H GLY A 26 15.247 8.313 -5.723 1.00 1.09 H new ATOM 0 HA2 GLY A 26 17.901 8.847 -6.767 1.00 1.13 H new ATOM 0 HA3 GLY A 26 16.387 8.718 -7.640 1.00 1.13 H new ATOM 374 N ASP A 27 17.350 11.188 -7.872 1.00 1.06 N ATOM 375 CA ASP A 27 17.558 12.605 -8.149 1.00 1.42 C ATOM 376 C ASP A 27 16.585 13.141 -9.217 1.00 1.38 C ATOM 377 O ASP A 27 16.557 14.326 -9.534 1.00 1.67 O ATOM 378 CB ASP A 27 19.020 12.696 -8.589 1.00 1.90 C ATOM 379 CG ASP A 27 19.945 12.319 -7.426 1.00 2.40 C ATOM 380 OD1 ASP A 27 20.150 11.100 -7.210 1.00 3.13 O ATOM 381 OD2 ASP A 27 20.297 13.200 -6.615 1.00 2.91 O ATOM 0 H ASP A 27 17.725 10.598 -8.615 1.00 1.06 H new ATOM 0 HA ASP A 27 17.357 13.227 -7.277 1.00 1.42 H new ATOM 0 HB2 ASP A 27 19.196 12.030 -9.434 1.00 1.90 H new ATOM 0 HB3 ASP A 27 19.243 13.707 -8.928 1.00 1.90 H new ATOM 386 N LEU A 28 15.748 12.240 -9.737 1.00 1.09 N ATOM 387 CA LEU A 28 14.632 12.477 -10.651 1.00 1.03 C ATOM 388 C LEU A 28 13.337 11.887 -10.042 1.00 0.90 C ATOM 389 O LEU A 28 13.415 11.067 -9.121 1.00 0.85 O ATOM 390 CB LEU A 28 14.973 11.833 -12.009 1.00 1.12 C ATOM 391 CG LEU A 28 16.245 12.372 -12.702 1.00 2.52 C ATOM 392 CD1 LEU A 28 16.534 11.521 -13.946 1.00 3.61 C ATOM 393 CD2 LEU A 28 16.089 13.843 -13.113 1.00 3.63 C ATOM 0 H LEU A 28 15.842 11.250 -9.511 1.00 1.09 H new ATOM 0 HA LEU A 28 14.468 13.544 -10.804 1.00 1.03 H new ATOM 0 HB2 LEU A 28 15.088 10.759 -11.863 1.00 1.12 H new ATOM 0 HB3 LEU A 28 14.127 11.975 -12.681 1.00 1.12 H new ATOM 0 HG LEU A 28 17.072 12.310 -11.995 1.00 2.52 H new ATOM 0 HD11 LEU A 28 17.430 11.894 -14.442 1.00 3.61 H new ATOM 0 HD12 LEU A 28 16.689 10.484 -13.649 1.00 3.61 H new ATOM 0 HD13 LEU A 28 15.689 11.580 -14.632 1.00 3.61 H new ATOM 0 HD21 LEU A 28 17.004 14.185 -13.597 1.00 3.63 H new ATOM 0 HD22 LEU A 28 15.254 13.940 -13.807 1.00 3.63 H new ATOM 0 HD23 LEU A 28 15.898 14.450 -12.228 1.00 3.63 H new ATOM 405 N PRO A 29 12.140 12.274 -10.521 1.00 0.93 N ATOM 406 CA PRO A 29 10.889 11.925 -9.865 1.00 0.86 C ATOM 407 C PRO A 29 10.475 10.478 -10.175 1.00 0.83 C ATOM 408 O PRO A 29 10.905 9.889 -11.171 1.00 1.04 O ATOM 409 CB PRO A 29 9.873 12.965 -10.346 1.00 0.97 C ATOM 410 CG PRO A 29 10.378 13.355 -11.734 1.00 1.08 C ATOM 411 CD PRO A 29 11.888 13.101 -11.690 1.00 1.06 C ATOM 0 HA PRO A 29 10.971 11.951 -8.778 1.00 0.86 H new ATOM 0 HB2 PRO A 29 8.866 12.550 -10.389 1.00 0.97 H new ATOM 0 HB3 PRO A 29 9.835 13.825 -9.678 1.00 0.97 H new ATOM 0 HG2 PRO A 29 9.900 12.758 -12.511 1.00 1.08 H new ATOM 0 HG3 PRO A 29 10.159 14.400 -11.955 1.00 1.08 H new ATOM 0 HD2 PRO A 29 12.222 12.599 -12.598 1.00 1.06 H new ATOM 0 HD3 PRO A 29 12.437 14.041 -11.625 1.00 1.06 H new ATOM 419 N LEU A 30 9.628 9.921 -9.305 1.00 0.74 N ATOM 420 CA LEU A 30 9.006 8.602 -9.429 1.00 0.72 C ATOM 421 C LEU A 30 7.485 8.745 -9.500 1.00 0.75 C ATOM 422 O LEU A 30 6.892 9.651 -8.917 1.00 0.87 O ATOM 423 CB LEU A 30 9.359 7.719 -8.210 1.00 0.72 C ATOM 424 CG LEU A 30 10.618 6.827 -8.286 1.00 0.77 C ATOM 425 CD1 LEU A 30 11.832 7.459 -8.982 1.00 2.19 C ATOM 426 CD2 LEU A 30 10.990 6.351 -6.878 1.00 1.97 C ATOM 0 H LEU A 30 9.344 10.403 -8.452 1.00 0.74 H new ATOM 0 HA LEU A 30 9.382 8.135 -10.340 1.00 0.72 H new ATOM 0 HB2 LEU A 30 9.469 8.375 -7.346 1.00 0.72 H new ATOM 0 HB3 LEU A 30 8.505 7.071 -8.012 1.00 0.72 H new ATOM 0 HG LEU A 30 10.347 5.986 -8.924 1.00 0.77 H new ATOM 0 HD11 LEU A 30 12.661 6.751 -8.982 1.00 2.19 H new ATOM 0 HD12 LEU A 30 11.571 7.712 -10.010 1.00 2.19 H new ATOM 0 HD13 LEU A 30 12.127 8.363 -8.449 1.00 2.19 H new ATOM 0 HD21 LEU A 30 11.878 5.721 -6.930 1.00 1.97 H new ATOM 0 HD22 LEU A 30 11.193 7.214 -6.244 1.00 1.97 H new ATOM 0 HD23 LEU A 30 10.163 5.778 -6.457 1.00 1.97 H new ATOM 438 N ARG A 31 6.886 7.735 -10.125 1.00 0.66 N ATOM 439 CA ARG A 31 5.441 7.528 -10.222 1.00 0.56 C ATOM 440 C ARG A 31 5.124 6.051 -10.023 1.00 0.53 C ATOM 441 O ARG A 31 5.482 5.231 -10.871 1.00 0.56 O ATOM 442 CB ARG A 31 4.920 7.995 -11.587 1.00 0.56 C ATOM 443 CG ARG A 31 3.387 8.120 -11.577 1.00 0.53 C ATOM 444 CD ARG A 31 2.840 8.785 -12.843 1.00 0.75 C ATOM 445 NE ARG A 31 3.203 10.208 -12.898 1.00 0.97 N ATOM 446 CZ ARG A 31 3.044 11.050 -13.906 1.00 1.24 C ATOM 447 NH1 ARG A 31 2.540 10.669 -15.064 1.00 2.04 N ATOM 448 NH2 ARG A 31 3.404 12.301 -13.762 1.00 1.73 N ATOM 0 H ARG A 31 7.417 7.005 -10.600 1.00 0.66 H new ATOM 0 HA ARG A 31 4.948 8.114 -9.446 1.00 0.56 H new ATOM 0 HB2 ARG A 31 5.365 8.957 -11.841 1.00 0.56 H new ATOM 0 HB3 ARG A 31 5.226 7.288 -12.358 1.00 0.56 H new ATOM 0 HG2 ARG A 31 2.946 7.128 -11.473 1.00 0.53 H new ATOM 0 HG3 ARG A 31 3.079 8.698 -10.706 1.00 0.53 H new ATOM 0 HD2 ARG A 31 3.231 8.274 -13.723 1.00 0.75 H new ATOM 0 HD3 ARG A 31 1.755 8.683 -12.870 1.00 0.75 H new ATOM 0 HE ARG A 31 3.630 10.594 -12.056 1.00 0.97 H new ATOM 0 HH11 ARG A 31 2.259 9.698 -15.203 1.00 2.04 H new ATOM 0 HH12 ARG A 31 2.431 11.345 -15.820 1.00 2.04 H new ATOM 0 HH21 ARG A 31 3.803 12.618 -12.879 1.00 1.73 H new ATOM 0 HH22 ARG A 31 3.285 12.958 -14.533 1.00 1.73 H new ATOM 462 N LEU A 32 4.501 5.705 -8.901 1.00 0.52 N ATOM 463 CA LEU A 32 4.154 4.340 -8.502 1.00 0.51 C ATOM 464 C LEU A 32 2.738 4.050 -9.013 1.00 0.49 C ATOM 465 O LEU A 32 1.808 4.729 -8.602 1.00 0.60 O ATOM 466 CB LEU A 32 4.270 4.287 -6.967 1.00 0.53 C ATOM 467 CG LEU A 32 4.273 2.899 -6.293 1.00 0.72 C ATOM 468 CD1 LEU A 32 3.966 3.014 -4.791 1.00 1.52 C ATOM 469 CD2 LEU A 32 3.285 1.903 -6.882 1.00 1.90 C ATOM 0 H LEU A 32 4.210 6.398 -8.212 1.00 0.52 H new ATOM 0 HA LEU A 32 4.811 3.578 -8.922 1.00 0.51 H new ATOM 0 HB2 LEU A 32 5.189 4.799 -6.683 1.00 0.53 H new ATOM 0 HB3 LEU A 32 3.443 4.861 -6.549 1.00 0.53 H new ATOM 0 HG LEU A 32 5.279 2.521 -6.474 1.00 0.72 H new ATOM 0 HD11 LEU A 32 3.974 2.021 -4.341 1.00 1.52 H new ATOM 0 HD12 LEU A 32 4.722 3.636 -4.312 1.00 1.52 H new ATOM 0 HD13 LEU A 32 2.984 3.466 -4.654 1.00 1.52 H new ATOM 0 HD21 LEU A 32 3.358 0.957 -6.345 1.00 1.90 H new ATOM 0 HD22 LEU A 32 2.273 2.296 -6.788 1.00 1.90 H new ATOM 0 HD23 LEU A 32 3.515 1.742 -7.935 1.00 1.90 H new ATOM 481 N VAL A 33 2.571 3.061 -9.888 1.00 0.39 N ATOM 482 CA VAL A 33 1.308 2.793 -10.607 1.00 0.38 C ATOM 483 C VAL A 33 0.660 1.453 -10.194 1.00 0.40 C ATOM 484 O VAL A 33 -0.542 1.279 -10.370 1.00 0.45 O ATOM 485 CB VAL A 33 1.531 2.839 -12.146 1.00 0.44 C ATOM 486 CG1 VAL A 33 2.121 4.186 -12.614 1.00 0.49 C ATOM 487 CG2 VAL A 33 2.473 1.740 -12.673 1.00 0.47 C ATOM 0 H VAL A 33 3.316 2.407 -10.128 1.00 0.39 H new ATOM 0 HA VAL A 33 0.612 3.583 -10.324 1.00 0.38 H new ATOM 0 HB VAL A 33 0.530 2.686 -12.551 1.00 0.44 H new ATOM 0 HG11 VAL A 33 2.258 4.167 -13.695 1.00 0.49 H new ATOM 0 HG12 VAL A 33 1.439 4.994 -12.348 1.00 0.49 H new ATOM 0 HG13 VAL A 33 3.084 4.350 -12.129 1.00 0.49 H new ATOM 0 HG21 VAL A 33 2.578 1.838 -13.753 1.00 0.47 H new ATOM 0 HG22 VAL A 33 3.451 1.842 -12.202 1.00 0.47 H new ATOM 0 HG23 VAL A 33 2.057 0.760 -12.437 1.00 0.47 H new ATOM 497 N GLY A 34 1.434 0.499 -9.649 1.00 0.39 N ATOM 498 CA GLY A 34 0.926 -0.761 -9.087 1.00 0.38 C ATOM 499 C GLY A 34 1.895 -1.421 -8.113 1.00 0.38 C ATOM 500 O GLY A 34 2.978 -0.914 -7.851 1.00 0.43 O ATOM 0 H GLY A 34 2.448 0.585 -9.586 1.00 0.39 H new ATOM 0 HA2 GLY A 34 -0.017 -0.569 -8.576 1.00 0.38 H new ATOM 0 HA3 GLY A 34 0.712 -1.454 -9.901 1.00 0.38 H new ATOM 504 N ALA A 35 1.534 -2.598 -7.610 1.00 0.39 N ATOM 505 CA ALA A 35 2.427 -3.457 -6.829 1.00 0.38 C ATOM 506 C ALA A 35 2.447 -4.907 -7.355 1.00 0.39 C ATOM 507 O ALA A 35 1.734 -5.245 -8.298 1.00 0.44 O ATOM 508 CB ALA A 35 2.011 -3.357 -5.353 1.00 0.42 C ATOM 0 H ALA A 35 0.600 -2.990 -7.734 1.00 0.39 H new ATOM 0 HA ALA A 35 3.457 -3.115 -6.931 1.00 0.38 H new ATOM 0 HB1 ALA A 35 2.662 -3.989 -4.748 1.00 0.42 H new ATOM 0 HB2 ALA A 35 2.097 -2.323 -5.020 1.00 0.42 H new ATOM 0 HB3 ALA A 35 0.979 -3.689 -5.243 1.00 0.42 H new ATOM 514 N ARG A 36 3.264 -5.757 -6.729 1.00 0.41 N ATOM 515 CA ARG A 36 3.376 -7.207 -6.932 1.00 0.54 C ATOM 516 C ARG A 36 3.812 -7.839 -5.602 1.00 0.54 C ATOM 517 O ARG A 36 4.528 -7.202 -4.831 1.00 0.70 O ATOM 518 CB ARG A 36 4.359 -7.483 -8.095 1.00 0.76 C ATOM 519 CG ARG A 36 4.883 -8.929 -8.179 1.00 1.71 C ATOM 520 CD ARG A 36 5.916 -9.134 -9.297 1.00 2.57 C ATOM 521 NE ARG A 36 7.275 -8.763 -8.863 1.00 4.38 N ATOM 522 CZ ARG A 36 8.376 -8.718 -9.600 1.00 5.65 C ATOM 523 NH1 ARG A 36 8.375 -9.016 -10.886 1.00 5.72 N ATOM 524 NH2 ARG A 36 9.506 -8.364 -9.027 1.00 7.53 N ATOM 0 H ARG A 36 3.913 -5.428 -6.014 1.00 0.41 H new ATOM 0 HA ARG A 36 2.425 -7.656 -7.217 1.00 0.54 H new ATOM 0 HB2 ARG A 36 3.864 -7.237 -9.035 1.00 0.76 H new ATOM 0 HB3 ARG A 36 5.211 -6.810 -7.998 1.00 0.76 H new ATOM 0 HG2 ARG A 36 5.332 -9.202 -7.224 1.00 1.71 H new ATOM 0 HG3 ARG A 36 4.043 -9.604 -8.341 1.00 1.71 H new ATOM 0 HD2 ARG A 36 5.908 -10.177 -9.612 1.00 2.57 H new ATOM 0 HD3 ARG A 36 5.636 -8.536 -10.164 1.00 2.57 H new ATOM 0 HE ARG A 36 7.381 -8.511 -7.880 1.00 4.38 H new ATOM 0 HH11 ARG A 36 7.507 -9.292 -11.345 1.00 5.72 H new ATOM 0 HH12 ARG A 36 9.242 -8.970 -11.421 1.00 5.72 H new ATOM 0 HH21 ARG A 36 9.523 -8.131 -8.034 1.00 7.53 H new ATOM 0 HH22 ARG A 36 10.365 -8.323 -9.576 1.00 7.53 H new ATOM 538 N THR A 37 3.404 -9.077 -5.311 1.00 0.49 N ATOM 539 CA THR A 37 3.694 -9.770 -4.041 1.00 0.49 C ATOM 540 C THR A 37 3.417 -11.264 -4.182 1.00 0.50 C ATOM 541 O THR A 37 2.498 -11.612 -4.920 1.00 0.50 O ATOM 542 CB THR A 37 2.886 -9.170 -2.883 1.00 0.53 C ATOM 543 OG1 THR A 37 3.029 -9.952 -1.725 1.00 0.62 O ATOM 544 CG2 THR A 37 1.384 -9.035 -3.157 1.00 0.60 C ATOM 0 H THR A 37 2.853 -9.640 -5.959 1.00 0.49 H new ATOM 0 HA THR A 37 4.750 -9.632 -3.809 1.00 0.49 H new ATOM 0 HB THR A 37 3.296 -8.168 -2.756 1.00 0.53 H new ATOM 0 HG1 THR A 37 3.804 -9.640 -1.213 1.00 0.62 H new ATOM 0 HG21 THR A 37 0.893 -8.603 -2.285 1.00 0.60 H new ATOM 0 HG22 THR A 37 1.228 -8.387 -4.020 1.00 0.60 H new ATOM 0 HG23 THR A 37 0.961 -10.019 -3.361 1.00 0.60 H new ATOM 552 N PRO A 38 4.142 -12.149 -3.473 1.00 0.58 N ATOM 553 CA PRO A 38 3.890 -13.586 -3.533 1.00 0.62 C ATOM 554 C PRO A 38 2.643 -14.051 -2.776 1.00 0.64 C ATOM 555 O PRO A 38 2.238 -15.198 -2.945 1.00 0.73 O ATOM 556 CB PRO A 38 5.163 -14.220 -2.976 1.00 0.69 C ATOM 557 CG PRO A 38 5.764 -13.170 -2.046 1.00 0.72 C ATOM 558 CD PRO A 38 5.331 -11.853 -2.680 1.00 0.67 C ATOM 0 HA PRO A 38 3.672 -13.888 -4.557 1.00 0.62 H new ATOM 0 HB2 PRO A 38 4.940 -15.141 -2.437 1.00 0.69 H new ATOM 0 HB3 PRO A 38 5.856 -14.479 -3.777 1.00 0.69 H new ATOM 0 HG2 PRO A 38 5.386 -13.270 -1.028 1.00 0.72 H new ATOM 0 HG3 PRO A 38 6.850 -13.253 -1.993 1.00 0.72 H new ATOM 0 HD2 PRO A 38 5.112 -11.107 -1.916 1.00 0.67 H new ATOM 0 HD3 PRO A 38 6.124 -11.444 -3.306 1.00 0.67 H new ATOM 566 N VAL A 39 2.045 -13.198 -1.945 1.00 0.64 N ATOM 567 CA VAL A 39 0.964 -13.581 -1.016 1.00 0.67 C ATOM 568 C VAL A 39 -0.397 -12.941 -1.303 1.00 0.63 C ATOM 569 O VAL A 39 -1.258 -12.935 -0.428 1.00 0.68 O ATOM 570 CB VAL A 39 1.403 -13.340 0.442 1.00 0.75 C ATOM 571 CG1 VAL A 39 2.683 -14.113 0.805 1.00 0.88 C ATOM 572 CG2 VAL A 39 1.609 -11.854 0.756 1.00 0.74 C ATOM 0 H VAL A 39 2.294 -12.210 -1.892 1.00 0.64 H new ATOM 0 HA VAL A 39 0.800 -14.646 -1.181 1.00 0.67 H new ATOM 0 HB VAL A 39 0.581 -13.715 1.051 1.00 0.75 H new ATOM 0 HG11 VAL A 39 2.949 -13.909 1.842 1.00 0.88 H new ATOM 0 HG12 VAL A 39 2.511 -15.182 0.678 1.00 0.88 H new ATOM 0 HG13 VAL A 39 3.497 -13.797 0.152 1.00 0.88 H new ATOM 0 HG21 VAL A 39 1.917 -11.741 1.795 1.00 0.74 H new ATOM 0 HG22 VAL A 39 2.381 -11.448 0.102 1.00 0.74 H new ATOM 0 HG23 VAL A 39 0.676 -11.315 0.594 1.00 0.74 H new ATOM 582 N ALA A 40 -0.618 -12.471 -2.532 1.00 0.60 N ATOM 583 CA ALA A 40 -1.917 -12.026 -3.054 1.00 0.61 C ATOM 584 C ALA A 40 -1.903 -12.126 -4.587 1.00 0.75 C ATOM 585 O ALA A 40 -0.858 -11.996 -5.212 1.00 0.99 O ATOM 586 CB ALA A 40 -2.175 -10.587 -2.604 1.00 0.66 C ATOM 0 H ALA A 40 0.130 -12.386 -3.220 1.00 0.60 H new ATOM 0 HA ALA A 40 -2.717 -12.658 -2.669 1.00 0.61 H new ATOM 0 HB1 ALA A 40 -3.138 -10.252 -2.989 1.00 0.66 H new ATOM 0 HB2 ALA A 40 -2.184 -10.542 -1.515 1.00 0.66 H new ATOM 0 HB3 ALA A 40 -1.386 -9.939 -2.987 1.00 0.66 H new ATOM 592 N GLU A 41 -3.067 -12.363 -5.179 1.00 0.74 N ATOM 593 CA GLU A 41 -3.241 -12.557 -6.619 1.00 0.83 C ATOM 594 C GLU A 41 -3.556 -11.255 -7.360 1.00 0.87 C ATOM 595 O GLU A 41 -2.973 -10.960 -8.400 1.00 1.14 O ATOM 596 CB GLU A 41 -4.405 -13.534 -6.782 1.00 0.82 C ATOM 597 CG GLU A 41 -4.545 -14.112 -8.186 1.00 0.98 C ATOM 598 CD GLU A 41 -5.716 -15.079 -8.155 1.00 1.95 C ATOM 599 OE1 GLU A 41 -5.553 -16.142 -7.518 1.00 2.57 O ATOM 600 OE2 GLU A 41 -6.796 -14.707 -8.672 1.00 3.35 O ATOM 0 H GLU A 41 -3.942 -12.428 -4.659 1.00 0.74 H new ATOM 0 HA GLU A 41 -2.313 -12.933 -7.049 1.00 0.83 H new ATOM 0 HB2 GLU A 41 -4.278 -14.354 -6.075 1.00 0.82 H new ATOM 0 HB3 GLU A 41 -5.332 -13.025 -6.517 1.00 0.82 H new ATOM 0 HG2 GLU A 41 -4.719 -13.319 -8.914 1.00 0.98 H new ATOM 0 HG3 GLU A 41 -3.630 -14.624 -8.485 1.00 0.98 H new ATOM 607 N ARG A 42 -4.508 -10.478 -6.835 1.00 0.81 N ATOM 608 CA ARG A 42 -5.057 -9.291 -7.491 1.00 1.01 C ATOM 609 C ARG A 42 -4.839 -8.110 -6.555 1.00 1.07 C ATOM 610 O ARG A 42 -5.554 -7.946 -5.565 1.00 1.76 O ATOM 611 CB ARG A 42 -6.541 -9.510 -7.844 1.00 1.18 C ATOM 612 CG ARG A 42 -6.726 -10.759 -8.721 1.00 1.69 C ATOM 613 CD ARG A 42 -8.189 -11.078 -9.032 1.00 2.36 C ATOM 614 NE ARG A 42 -8.309 -12.506 -9.363 1.00 3.80 N ATOM 615 CZ ARG A 42 -9.277 -13.152 -9.984 1.00 4.80 C ATOM 616 NH1 ARG A 42 -10.337 -12.533 -10.464 1.00 4.87 N ATOM 617 NH2 ARG A 42 -9.147 -14.455 -10.106 1.00 6.26 N ATOM 0 H ARG A 42 -4.926 -10.662 -5.923 1.00 0.81 H new ATOM 0 HA ARG A 42 -4.553 -9.090 -8.436 1.00 1.01 H new ATOM 0 HB2 ARG A 42 -7.123 -9.616 -6.929 1.00 1.18 H new ATOM 0 HB3 ARG A 42 -6.926 -8.635 -8.367 1.00 1.18 H new ATOM 0 HG2 ARG A 42 -6.187 -10.618 -9.658 1.00 1.69 H new ATOM 0 HG3 ARG A 42 -6.275 -11.615 -8.219 1.00 1.69 H new ATOM 0 HD2 ARG A 42 -8.817 -10.836 -8.175 1.00 2.36 H new ATOM 0 HD3 ARG A 42 -8.538 -10.468 -9.865 1.00 2.36 H new ATOM 0 HE ARG A 42 -7.523 -13.085 -9.067 1.00 3.80 H new ATOM 0 HH11 ARG A 42 -10.428 -11.522 -10.361 1.00 4.87 H new ATOM 0 HH12 ARG A 42 -11.067 -13.065 -10.939 1.00 4.87 H new ATOM 0 HH21 ARG A 42 -8.323 -14.923 -9.728 1.00 6.26 H new ATOM 0 HH22 ARG A 42 -9.870 -14.998 -10.579 1.00 6.26 H new ATOM 631 N VAL A 43 -3.786 -7.347 -6.826 1.00 0.51 N ATOM 632 CA VAL A 43 -3.423 -6.163 -6.039 1.00 0.46 C ATOM 633 C VAL A 43 -3.939 -4.900 -6.734 1.00 0.56 C ATOM 634 O VAL A 43 -3.685 -4.690 -7.919 1.00 0.82 O ATOM 635 CB VAL A 43 -1.920 -6.108 -5.709 1.00 0.51 C ATOM 636 CG1 VAL A 43 -0.997 -5.958 -6.928 1.00 0.65 C ATOM 637 CG2 VAL A 43 -1.606 -5.011 -4.682 1.00 0.64 C ATOM 0 H VAL A 43 -3.152 -7.530 -7.604 1.00 0.51 H new ATOM 0 HA VAL A 43 -3.913 -6.230 -5.068 1.00 0.46 H new ATOM 0 HB VAL A 43 -1.705 -7.087 -5.282 1.00 0.51 H new ATOM 0 HG11 VAL A 43 0.041 -5.928 -6.597 1.00 0.65 H new ATOM 0 HG12 VAL A 43 -1.140 -6.805 -7.599 1.00 0.65 H new ATOM 0 HG13 VAL A 43 -1.236 -5.034 -7.454 1.00 0.65 H new ATOM 0 HG21 VAL A 43 -0.536 -5.003 -4.474 1.00 0.64 H new ATOM 0 HG22 VAL A 43 -1.906 -4.042 -5.081 1.00 0.64 H new ATOM 0 HG23 VAL A 43 -2.153 -5.208 -3.760 1.00 0.64 H new ATOM 647 N GLU A 44 -4.697 -4.101 -5.992 1.00 0.51 N ATOM 648 CA GLU A 44 -5.336 -2.855 -6.420 1.00 0.49 C ATOM 649 C GLU A 44 -4.758 -1.693 -5.610 1.00 0.42 C ATOM 650 O GLU A 44 -4.393 -1.866 -4.449 1.00 0.53 O ATOM 651 CB GLU A 44 -6.853 -2.906 -6.163 1.00 0.65 C ATOM 652 CG GLU A 44 -7.608 -3.917 -7.037 1.00 1.20 C ATOM 653 CD GLU A 44 -9.071 -4.105 -6.609 1.00 1.86 C ATOM 654 OE1 GLU A 44 -9.609 -3.203 -5.924 1.00 2.58 O ATOM 655 OE2 GLU A 44 -9.642 -5.161 -6.959 1.00 2.70 O ATOM 0 H GLU A 44 -4.896 -4.316 -5.015 1.00 0.51 H new ATOM 0 HA GLU A 44 -5.151 -2.721 -7.486 1.00 0.49 H new ATOM 0 HB2 GLU A 44 -7.024 -3.151 -5.115 1.00 0.65 H new ATOM 0 HB3 GLU A 44 -7.272 -1.914 -6.331 1.00 0.65 H new ATOM 0 HG2 GLU A 44 -7.579 -3.585 -8.075 1.00 1.20 H new ATOM 0 HG3 GLU A 44 -7.096 -4.879 -6.995 1.00 1.20 H new ATOM 662 N LEU A 45 -4.721 -0.495 -6.196 1.00 0.49 N ATOM 663 CA LEU A 45 -4.235 0.724 -5.542 1.00 0.51 C ATOM 664 C LEU A 45 -5.415 1.630 -5.155 1.00 0.46 C ATOM 665 O LEU A 45 -6.171 2.078 -6.019 1.00 0.48 O ATOM 666 CB LEU A 45 -3.239 1.399 -6.497 1.00 0.73 C ATOM 667 CG LEU A 45 -2.736 2.780 -6.041 1.00 0.58 C ATOM 668 CD1 LEU A 45 -2.050 2.801 -4.672 1.00 0.68 C ATOM 669 CD2 LEU A 45 -1.735 3.303 -7.076 1.00 0.88 C ATOM 0 H LEU A 45 -5.033 -0.341 -7.155 1.00 0.49 H new ATOM 0 HA LEU A 45 -3.719 0.498 -4.609 1.00 0.51 H new ATOM 0 HB2 LEU A 45 -2.380 0.741 -6.627 1.00 0.73 H new ATOM 0 HB3 LEU A 45 -3.710 1.505 -7.474 1.00 0.73 H new ATOM 0 HG LEU A 45 -3.626 3.403 -5.951 1.00 0.58 H new ATOM 0 HD11 LEU A 45 -1.731 3.817 -4.440 1.00 0.68 H new ATOM 0 HD12 LEU A 45 -2.749 2.457 -3.910 1.00 0.68 H new ATOM 0 HD13 LEU A 45 -1.181 2.144 -4.691 1.00 0.68 H new ATOM 0 HD21 LEU A 45 -1.369 4.282 -6.766 1.00 0.88 H new ATOM 0 HD22 LEU A 45 -0.897 2.611 -7.154 1.00 0.88 H new ATOM 0 HD23 LEU A 45 -2.226 3.389 -8.046 1.00 0.88 H new ATOM 681 N HIS A 46 -5.583 1.899 -3.857 1.00 0.46 N ATOM 682 CA HIS A 46 -6.708 2.647 -3.292 1.00 0.45 C ATOM 683 C HIS A 46 -6.292 3.866 -2.444 1.00 0.45 C ATOM 684 O HIS A 46 -5.246 3.903 -1.798 1.00 0.48 O ATOM 685 CB HIS A 46 -7.526 1.714 -2.376 1.00 0.47 C ATOM 686 CG HIS A 46 -8.282 0.555 -2.974 1.00 0.47 C ATOM 687 ND1 HIS A 46 -8.957 -0.396 -2.218 1.00 0.49 N ATOM 688 CD2 HIS A 46 -8.410 0.205 -4.286 1.00 0.47 C ATOM 689 CE1 HIS A 46 -9.457 -1.295 -3.071 1.00 0.51 C ATOM 690 NE2 HIS A 46 -9.148 -0.964 -4.330 1.00 0.50 N ATOM 0 H HIS A 46 -4.917 1.592 -3.148 1.00 0.46 H new ATOM 0 HA HIS A 46 -7.279 3.013 -4.145 1.00 0.45 H new ATOM 0 HB2 HIS A 46 -6.842 1.307 -1.631 1.00 0.47 H new ATOM 0 HB3 HIS A 46 -8.247 2.332 -1.842 1.00 0.47 H new ATOM 0 HD2 HIS A 46 -8.009 0.741 -5.134 1.00 0.47 H new ATOM 0 HE1 HIS A 46 -10.029 -2.165 -2.785 1.00 0.51 H new ATOM 0 HE2 HIS A 46 -9.409 -1.480 -5.170 1.00 0.50 H new ATOM 698 N GLU A 47 -7.217 4.812 -2.365 1.00 0.46 N ATOM 699 CA GLU A 47 -7.314 5.828 -1.322 1.00 0.46 C ATOM 700 C GLU A 47 -8.368 5.482 -0.262 1.00 0.53 C ATOM 701 O GLU A 47 -9.267 4.665 -0.491 1.00 0.71 O ATOM 702 CB GLU A 47 -7.590 7.186 -1.972 1.00 0.46 C ATOM 703 CG GLU A 47 -9.006 7.372 -2.528 1.00 0.54 C ATOM 704 CD GLU A 47 -9.227 8.828 -2.917 1.00 1.05 C ATOM 705 OE1 GLU A 47 -8.836 9.191 -4.046 1.00 2.21 O ATOM 706 OE2 GLU A 47 -9.796 9.550 -2.066 1.00 1.78 O ATOM 0 H GLU A 47 -7.958 4.897 -3.061 1.00 0.46 H new ATOM 0 HA GLU A 47 -6.364 5.869 -0.790 1.00 0.46 H new ATOM 0 HB2 GLU A 47 -7.401 7.967 -1.236 1.00 0.46 H new ATOM 0 HB3 GLU A 47 -6.877 7.333 -2.783 1.00 0.46 H new ATOM 0 HG2 GLU A 47 -9.152 6.729 -3.396 1.00 0.54 H new ATOM 0 HG3 GLU A 47 -9.741 7.071 -1.781 1.00 0.54 H new ATOM 713 N THR A 48 -8.256 6.159 0.884 1.00 0.53 N ATOM 714 CA THR A 48 -9.245 6.226 1.969 1.00 0.52 C ATOM 715 C THR A 48 -9.374 7.706 2.318 1.00 0.50 C ATOM 716 O THR A 48 -8.368 8.415 2.276 1.00 0.60 O ATOM 717 CB THR A 48 -8.780 5.468 3.217 1.00 0.59 C ATOM 718 OG1 THR A 48 -8.309 4.197 2.864 1.00 0.71 O ATOM 719 CG2 THR A 48 -9.878 5.279 4.264 1.00 0.74 C ATOM 0 H THR A 48 -7.423 6.709 1.094 1.00 0.53 H new ATOM 0 HA THR A 48 -10.184 5.774 1.648 1.00 0.52 H new ATOM 0 HB THR A 48 -7.994 6.083 3.655 1.00 0.59 H new ATOM 0 HG1 THR A 48 -7.368 4.259 2.598 1.00 0.71 H new ATOM 0 HG21 THR A 48 -9.476 4.735 5.119 1.00 0.74 H new ATOM 0 HG22 THR A 48 -10.240 6.254 4.592 1.00 0.74 H new ATOM 0 HG23 THR A 48 -10.702 4.714 3.829 1.00 0.74 H new ATOM 727 N PHE A 49 -10.571 8.167 2.672 1.00 0.50 N ATOM 728 CA PHE A 49 -10.865 9.584 2.907 1.00 0.57 C ATOM 729 C PHE A 49 -12.018 9.787 3.892 1.00 0.56 C ATOM 730 O PHE A 49 -12.738 8.852 4.250 1.00 0.58 O ATOM 731 CB PHE A 49 -11.170 10.285 1.572 1.00 0.72 C ATOM 732 CG PHE A 49 -12.327 9.675 0.800 1.00 0.77 C ATOM 733 CD1 PHE A 49 -12.098 8.580 -0.048 1.00 1.93 C ATOM 734 CD2 PHE A 49 -13.631 10.187 0.935 1.00 1.86 C ATOM 735 CE1 PHE A 49 -13.163 7.984 -0.736 1.00 2.02 C ATOM 736 CE2 PHE A 49 -14.701 9.596 0.237 1.00 1.87 C ATOM 737 CZ PHE A 49 -14.467 8.486 -0.595 1.00 0.97 C ATOM 0 H PHE A 49 -11.379 7.559 2.807 1.00 0.50 H new ATOM 0 HA PHE A 49 -9.979 10.030 3.360 1.00 0.57 H new ATOM 0 HB2 PHE A 49 -11.391 11.334 1.767 1.00 0.72 H new ATOM 0 HB3 PHE A 49 -10.277 10.258 0.948 1.00 0.72 H new ATOM 0 HD1 PHE A 49 -11.096 8.195 -0.171 1.00 1.93 H new ATOM 0 HD2 PHE A 49 -13.811 11.037 1.577 1.00 1.86 H new ATOM 0 HE1 PHE A 49 -12.980 7.135 -1.378 1.00 2.02 H new ATOM 0 HE2 PHE A 49 -15.700 9.994 0.340 1.00 1.87 H new ATOM 0 HZ PHE A 49 -15.287 8.022 -1.123 1.00 0.97 H new ATOM 747 N MET A 50 -12.213 11.039 4.315 1.00 0.67 N ATOM 748 CA MET A 50 -13.329 11.475 5.148 1.00 0.71 C ATOM 749 C MET A 50 -14.430 12.119 4.292 1.00 0.65 C ATOM 750 O MET A 50 -14.151 12.880 3.370 1.00 0.65 O ATOM 751 CB MET A 50 -12.793 12.436 6.217 1.00 0.83 C ATOM 752 CG MET A 50 -13.927 12.877 7.141 1.00 1.91 C ATOM 753 SD MET A 50 -13.419 13.777 8.624 1.00 2.43 S ATOM 754 CE MET A 50 -13.026 15.383 7.884 1.00 3.45 C ATOM 0 H MET A 50 -11.576 11.799 4.077 1.00 0.67 H new ATOM 0 HA MET A 50 -13.785 10.618 5.643 1.00 0.71 H new ATOM 0 HB2 MET A 50 -12.010 11.947 6.797 1.00 0.83 H new ATOM 0 HB3 MET A 50 -12.341 13.307 5.741 1.00 0.83 H new ATOM 0 HG2 MET A 50 -14.611 13.506 6.572 1.00 1.91 H new ATOM 0 HG3 MET A 50 -14.487 11.993 7.448 1.00 1.91 H new ATOM 0 HE1 MET A 50 -12.692 16.070 8.662 1.00 3.45 H new ATOM 0 HE2 MET A 50 -12.235 15.259 7.145 1.00 3.45 H new ATOM 0 HE3 MET A 50 -13.915 15.788 7.400 1.00 3.45 H new ATOM 764 N ARG A 51 -15.690 11.832 4.625 1.00 0.68 N ATOM 765 CA ARG A 51 -16.894 12.341 3.962 1.00 0.67 C ATOM 766 C ARG A 51 -18.040 12.538 4.962 1.00 0.71 C ATOM 767 O ARG A 51 -18.163 11.806 5.945 1.00 0.77 O ATOM 768 CB ARG A 51 -17.297 11.438 2.774 1.00 0.86 C ATOM 769 CG ARG A 51 -17.339 9.916 3.047 1.00 1.99 C ATOM 770 CD ARG A 51 -18.712 9.268 2.836 1.00 2.78 C ATOM 771 NE ARG A 51 -19.138 9.265 1.422 1.00 3.24 N ATOM 772 CZ ARG A 51 -20.151 8.563 0.928 1.00 4.40 C ATOM 773 NH1 ARG A 51 -20.817 7.684 1.652 1.00 5.22 N ATOM 774 NH2 ARG A 51 -20.540 8.760 -0.313 1.00 5.28 N ATOM 0 H ARG A 51 -15.910 11.208 5.402 1.00 0.68 H new ATOM 0 HA ARG A 51 -16.666 13.324 3.551 1.00 0.67 H new ATOM 0 HB2 ARG A 51 -18.282 11.750 2.427 1.00 0.86 H new ATOM 0 HB3 ARG A 51 -16.600 11.619 1.956 1.00 0.86 H new ATOM 0 HG2 ARG A 51 -16.616 9.423 2.397 1.00 1.99 H new ATOM 0 HG3 ARG A 51 -17.020 9.735 4.074 1.00 1.99 H new ATOM 0 HD2 ARG A 51 -18.684 8.242 3.203 1.00 2.78 H new ATOM 0 HD3 ARG A 51 -19.454 9.800 3.432 1.00 2.78 H new ATOM 0 HE ARG A 51 -18.612 9.849 0.772 1.00 3.24 H new ATOM 0 HH11 ARG A 51 -20.559 7.525 2.626 1.00 5.22 H new ATOM 0 HH12 ARG A 51 -21.590 7.163 1.238 1.00 5.22 H new ATOM 0 HH21 ARG A 51 -20.064 9.451 -0.893 1.00 5.28 H new ATOM 0 HH22 ARG A 51 -21.318 8.222 -0.695 1.00 5.28 H new ATOM 788 N GLU A 52 -18.899 13.520 4.726 1.00 0.82 N ATOM 789 CA GLU A 52 -20.170 13.672 5.402 1.00 0.92 C ATOM 790 C GLU A 52 -21.237 12.892 4.619 1.00 1.13 C ATOM 791 O GLU A 52 -21.193 12.883 3.388 1.00 1.33 O ATOM 792 CB GLU A 52 -20.470 15.170 5.381 1.00 1.17 C ATOM 793 CG GLU A 52 -21.595 15.565 6.326 1.00 1.31 C ATOM 794 CD GLU A 52 -21.087 15.958 7.710 1.00 1.48 C ATOM 795 OE1 GLU A 52 -20.265 16.888 7.832 1.00 2.30 O ATOM 796 OE2 GLU A 52 -21.539 15.359 8.708 1.00 2.42 O ATOM 0 H GLU A 52 -18.721 14.252 4.038 1.00 0.82 H new ATOM 0 HA GLU A 52 -20.157 13.293 6.424 1.00 0.92 H new ATOM 0 HB2 GLU A 52 -19.568 15.719 5.650 1.00 1.17 H new ATOM 0 HB3 GLU A 52 -20.734 15.468 4.366 1.00 1.17 H new ATOM 0 HG2 GLU A 52 -22.150 16.399 5.896 1.00 1.31 H new ATOM 0 HG3 GLU A 52 -22.293 14.733 6.422 1.00 1.31 H new ATOM 803 N VAL A 53 -22.203 12.287 5.306 1.00 1.22 N ATOM 804 CA VAL A 53 -23.532 11.962 4.767 1.00 1.44 C ATOM 805 C VAL A 53 -24.556 12.201 5.874 1.00 1.55 C ATOM 806 O VAL A 53 -24.265 11.881 7.019 1.00 1.98 O ATOM 807 CB VAL A 53 -23.656 10.509 4.256 1.00 1.59 C ATOM 808 CG1 VAL A 53 -22.827 10.257 2.985 1.00 2.41 C ATOM 809 CG2 VAL A 53 -23.315 9.433 5.301 1.00 2.79 C ATOM 0 H VAL A 53 -22.086 12.000 6.278 1.00 1.22 H new ATOM 0 HA VAL A 53 -23.706 12.602 3.902 1.00 1.44 H new ATOM 0 HB VAL A 53 -24.717 10.412 4.024 1.00 1.59 H new ATOM 0 HG11 VAL A 53 -22.951 9.221 2.669 1.00 2.41 H new ATOM 0 HG12 VAL A 53 -23.168 10.921 2.191 1.00 2.41 H new ATOM 0 HG13 VAL A 53 -21.775 10.450 3.193 1.00 2.41 H new ATOM 0 HG21 VAL A 53 -23.429 8.445 4.856 1.00 2.79 H new ATOM 0 HG22 VAL A 53 -22.286 9.564 5.636 1.00 2.79 H new ATOM 0 HG23 VAL A 53 -23.988 9.527 6.153 1.00 2.79 H new ATOM 819 N GLU A 54 -25.713 12.797 5.566 1.00 1.69 N ATOM 820 CA GLU A 54 -26.837 13.007 6.505 1.00 1.88 C ATOM 821 C GLU A 54 -26.487 13.849 7.766 1.00 1.81 C ATOM 822 O GLU A 54 -27.106 13.676 8.824 1.00 2.00 O ATOM 823 CB GLU A 54 -27.403 11.668 7.006 1.00 2.05 C ATOM 824 CG GLU A 54 -27.689 10.494 6.069 1.00 2.75 C ATOM 825 CD GLU A 54 -27.985 9.236 6.905 1.00 3.36 C ATOM 826 OE1 GLU A 54 -28.064 9.357 8.159 1.00 3.65 O ATOM 827 OE2 GLU A 54 -28.083 8.160 6.284 1.00 4.32 O ATOM 0 H GLU A 54 -25.906 13.159 4.632 1.00 1.69 H new ATOM 0 HA GLU A 54 -27.564 13.563 5.913 1.00 1.88 H new ATOM 0 HB2 GLU A 54 -26.710 11.301 7.763 1.00 2.05 H new ATOM 0 HB3 GLU A 54 -28.340 11.896 7.514 1.00 2.05 H new ATOM 0 HG2 GLU A 54 -28.538 10.725 5.426 1.00 2.75 H new ATOM 0 HG3 GLU A 54 -26.834 10.318 5.416 1.00 2.75 H new ATOM 834 N GLY A 55 -25.438 14.681 7.715 1.00 1.65 N ATOM 835 CA GLY A 55 -24.898 15.376 8.898 1.00 1.67 C ATOM 836 C GLY A 55 -24.099 14.467 9.845 1.00 1.49 C ATOM 837 O GLY A 55 -23.880 14.818 11.003 1.00 1.67 O ATOM 0 H GLY A 55 -24.937 14.893 6.852 1.00 1.65 H new ATOM 0 HA2 GLY A 55 -24.256 16.192 8.566 1.00 1.67 H new ATOM 0 HA3 GLY A 55 -25.723 15.825 9.451 1.00 1.67 H new ATOM 841 N LYS A 56 -23.667 13.301 9.359 1.00 1.27 N ATOM 842 CA LYS A 56 -22.785 12.351 10.030 1.00 1.17 C ATOM 843 C LYS A 56 -21.430 12.389 9.310 1.00 0.95 C ATOM 844 O LYS A 56 -21.334 12.110 8.107 1.00 0.96 O ATOM 845 CB LYS A 56 -23.327 10.904 10.030 1.00 1.48 C ATOM 846 CG LYS A 56 -24.841 10.718 10.144 1.00 1.95 C ATOM 847 CD LYS A 56 -25.549 11.319 11.362 1.00 1.74 C ATOM 848 CE LYS A 56 -27.025 10.880 11.421 1.00 2.10 C ATOM 849 NZ LYS A 56 -27.772 11.156 10.165 1.00 2.25 N ATOM 0 H LYS A 56 -23.942 12.978 8.431 1.00 1.27 H new ATOM 0 HA LYS A 56 -22.704 12.645 11.076 1.00 1.17 H new ATOM 0 HB2 LYS A 56 -22.997 10.421 9.110 1.00 1.48 H new ATOM 0 HB3 LYS A 56 -22.859 10.369 10.857 1.00 1.48 H new ATOM 0 HG2 LYS A 56 -25.298 11.141 9.249 1.00 1.95 H new ATOM 0 HG3 LYS A 56 -25.048 9.648 10.132 1.00 1.95 H new ATOM 0 HD2 LYS A 56 -25.038 11.008 12.273 1.00 1.74 H new ATOM 0 HD3 LYS A 56 -25.492 12.407 11.319 1.00 1.74 H new ATOM 0 HE2 LYS A 56 -27.071 9.812 11.636 1.00 2.10 H new ATOM 0 HE3 LYS A 56 -27.516 11.393 12.248 1.00 2.10 H new ATOM 0 HZ1 LYS A 56 -28.790 11.214 10.372 1.00 2.25 H new ATOM 0 HZ2 LYS A 56 -27.449 12.058 9.760 1.00 2.25 H new ATOM 0 HZ3 LYS A 56 -27.600 10.389 9.483 1.00 2.25 H new ATOM 863 N LYS A 57 -20.373 12.686 10.056 1.00 1.00 N ATOM 864 CA LYS A 57 -18.987 12.621 9.600 1.00 1.02 C ATOM 865 C LYS A 57 -18.522 11.155 9.647 1.00 1.12 C ATOM 866 O LYS A 57 -18.521 10.546 10.712 1.00 1.33 O ATOM 867 CB LYS A 57 -18.088 13.528 10.461 1.00 1.20 C ATOM 868 CG LYS A 57 -18.496 15.014 10.506 1.00 1.93 C ATOM 869 CD LYS A 57 -19.529 15.356 11.599 1.00 2.42 C ATOM 870 CE LYS A 57 -19.897 16.846 11.635 1.00 2.77 C ATOM 871 NZ LYS A 57 -20.694 17.234 10.450 1.00 3.07 N ATOM 0 H LYS A 57 -20.458 12.989 11.026 1.00 1.00 H new ATOM 0 HA LYS A 57 -18.915 12.984 8.575 1.00 1.02 H new ATOM 0 HB2 LYS A 57 -18.079 13.140 11.480 1.00 1.20 H new ATOM 0 HB3 LYS A 57 -17.067 13.460 10.085 1.00 1.20 H new ATOM 0 HG2 LYS A 57 -17.603 15.619 10.664 1.00 1.93 H new ATOM 0 HG3 LYS A 57 -18.904 15.296 9.536 1.00 1.93 H new ATOM 0 HD2 LYS A 57 -20.432 14.769 11.433 1.00 2.42 H new ATOM 0 HD3 LYS A 57 -19.132 15.062 12.571 1.00 2.42 H new ATOM 0 HE2 LYS A 57 -20.462 17.061 12.542 1.00 2.77 H new ATOM 0 HE3 LYS A 57 -18.988 17.446 11.676 1.00 2.77 H new ATOM 0 HZ1 LYS A 57 -21.258 18.079 10.672 1.00 3.07 H new ATOM 0 HZ2 LYS A 57 -20.056 17.443 9.656 1.00 3.07 H new ATOM 0 HZ3 LYS A 57 -21.329 16.453 10.188 1.00 3.07 H new ATOM 885 N VAL A 58 -18.170 10.599 8.492 1.00 1.02 N ATOM 886 CA VAL A 58 -17.860 9.195 8.234 1.00 1.13 C ATOM 887 C VAL A 58 -16.690 9.092 7.236 1.00 1.07 C ATOM 888 O VAL A 58 -16.106 10.108 6.864 1.00 1.44 O ATOM 889 CB VAL A 58 -19.110 8.461 7.700 1.00 1.21 C ATOM 890 CG1 VAL A 58 -20.245 8.390 8.735 1.00 2.50 C ATOM 891 CG2 VAL A 58 -19.645 9.030 6.378 1.00 2.32 C ATOM 0 H VAL A 58 -18.087 11.162 7.645 1.00 1.02 H new ATOM 0 HA VAL A 58 -17.561 8.716 9.166 1.00 1.13 H new ATOM 0 HB VAL A 58 -18.759 7.449 7.500 1.00 1.21 H new ATOM 0 HG11 VAL A 58 -21.097 7.864 8.305 1.00 2.50 H new ATOM 0 HG12 VAL A 58 -19.898 7.856 9.620 1.00 2.50 H new ATOM 0 HG13 VAL A 58 -20.546 9.400 9.015 1.00 2.50 H new ATOM 0 HG21 VAL A 58 -20.523 8.463 6.067 1.00 2.32 H new ATOM 0 HG22 VAL A 58 -19.919 10.076 6.516 1.00 2.32 H new ATOM 0 HG23 VAL A 58 -18.874 8.955 5.611 1.00 2.32 H new ATOM 901 N MET A 59 -16.319 7.883 6.811 1.00 0.84 N ATOM 902 CA MET A 59 -15.220 7.651 5.862 1.00 0.75 C ATOM 903 C MET A 59 -15.694 7.040 4.532 1.00 0.83 C ATOM 904 O MET A 59 -16.877 6.748 4.341 1.00 1.08 O ATOM 905 CB MET A 59 -14.117 6.818 6.539 1.00 0.80 C ATOM 906 CG MET A 59 -13.439 7.604 7.675 1.00 0.88 C ATOM 907 SD MET A 59 -14.328 7.654 9.256 1.00 2.32 S ATOM 908 CE MET A 59 -13.948 9.353 9.749 1.00 3.00 C ATOM 0 H MET A 59 -16.777 7.025 7.118 1.00 0.84 H new ATOM 0 HA MET A 59 -14.800 8.619 5.588 1.00 0.75 H new ATOM 0 HB2 MET A 59 -14.546 5.898 6.936 1.00 0.80 H new ATOM 0 HB3 MET A 59 -13.371 6.529 5.799 1.00 0.80 H new ATOM 0 HG2 MET A 59 -12.453 7.172 7.850 1.00 0.88 H new ATOM 0 HG3 MET A 59 -13.283 8.628 7.337 1.00 0.88 H new ATOM 0 HE1 MET A 59 -14.417 9.567 10.710 1.00 3.00 H new ATOM 0 HE2 MET A 59 -12.868 9.473 9.837 1.00 3.00 H new ATOM 0 HE3 MET A 59 -14.330 10.044 8.997 1.00 3.00 H new ATOM 918 N GLY A 60 -14.758 6.886 3.593 1.00 0.71 N ATOM 919 CA GLY A 60 -14.919 6.219 2.303 1.00 0.80 C ATOM 920 C GLY A 60 -13.590 5.687 1.765 1.00 0.69 C ATOM 921 O GLY A 60 -12.536 5.990 2.308 1.00 0.66 O ATOM 0 H GLY A 60 -13.812 7.245 3.722 1.00 0.71 H new ATOM 0 HA2 GLY A 60 -15.625 5.395 2.406 1.00 0.80 H new ATOM 0 HA3 GLY A 60 -15.348 6.917 1.584 1.00 0.80 H new ATOM 925 N MET A 61 -13.645 4.886 0.695 1.00 0.68 N ATOM 926 CA MET A 61 -12.488 4.280 0.025 1.00 0.58 C ATOM 927 C MET A 61 -12.785 4.105 -1.467 1.00 0.57 C ATOM 928 O MET A 61 -13.886 3.695 -1.856 1.00 0.66 O ATOM 929 CB MET A 61 -12.166 2.938 0.706 1.00 0.66 C ATOM 930 CG MET A 61 -11.170 2.033 -0.039 1.00 0.69 C ATOM 931 SD MET A 61 -11.069 0.271 0.438 1.00 0.59 S ATOM 932 CE MET A 61 -11.600 0.291 2.170 1.00 1.13 C ATOM 0 H MET A 61 -14.530 4.632 0.255 1.00 0.68 H new ATOM 0 HA MET A 61 -11.615 4.928 0.110 1.00 0.58 H new ATOM 0 HB2 MET A 61 -11.769 3.142 1.700 1.00 0.66 H new ATOM 0 HB3 MET A 61 -13.097 2.388 0.841 1.00 0.66 H new ATOM 0 HG2 MET A 61 -11.413 2.076 -1.101 1.00 0.69 H new ATOM 0 HG3 MET A 61 -10.177 2.466 0.078 1.00 0.69 H new ATOM 0 HE1 MET A 61 -11.445 -0.694 2.609 1.00 1.13 H new ATOM 0 HE2 MET A 61 -11.017 1.029 2.721 1.00 1.13 H new ATOM 0 HE3 MET A 61 -12.657 0.550 2.223 1.00 1.13 H new ATOM 942 N ARG A 62 -11.799 4.412 -2.310 1.00 0.55 N ATOM 943 CA ARG A 62 -11.887 4.384 -3.775 1.00 0.59 C ATOM 944 C ARG A 62 -10.562 3.906 -4.387 1.00 0.48 C ATOM 945 O ARG A 62 -9.526 4.094 -3.756 1.00 0.42 O ATOM 946 CB ARG A 62 -12.225 5.802 -4.284 1.00 0.73 C ATOM 947 CG ARG A 62 -13.662 6.281 -4.016 1.00 1.42 C ATOM 948 CD ARG A 62 -14.739 5.626 -4.894 1.00 2.54 C ATOM 949 NE ARG A 62 -15.050 4.275 -4.400 1.00 4.87 N ATOM 950 CZ ARG A 62 -15.716 3.306 -5.011 1.00 6.88 C ATOM 951 NH1 ARG A 62 -16.355 3.499 -6.149 1.00 7.05 N ATOM 952 NH2 ARG A 62 -15.730 2.115 -4.453 1.00 8.85 N ATOM 0 H ARG A 62 -10.878 4.699 -1.980 1.00 0.55 H new ATOM 0 HA ARG A 62 -12.670 3.687 -4.075 1.00 0.59 H new ATOM 0 HB2 ARG A 62 -11.534 6.508 -3.823 1.00 0.73 H new ATOM 0 HB3 ARG A 62 -12.045 5.835 -5.358 1.00 0.73 H new ATOM 0 HG2 ARG A 62 -13.903 6.092 -2.970 1.00 1.42 H new ATOM 0 HG3 ARG A 62 -13.702 7.360 -4.162 1.00 1.42 H new ATOM 0 HD2 ARG A 62 -15.641 6.238 -4.892 1.00 2.54 H new ATOM 0 HD3 ARG A 62 -14.393 5.572 -5.926 1.00 2.54 H new ATOM 0 HE ARG A 62 -14.708 4.056 -3.464 1.00 4.87 H new ATOM 0 HH11 ARG A 62 -16.347 4.419 -6.589 1.00 7.05 H new ATOM 0 HH12 ARG A 62 -16.857 2.728 -6.589 1.00 7.05 H new ATOM 0 HH21 ARG A 62 -15.237 1.958 -3.574 1.00 8.85 H new ATOM 0 HH22 ARG A 62 -16.234 1.349 -4.899 1.00 8.85 H new ATOM 966 N PRO A 63 -10.566 3.272 -5.576 1.00 0.48 N ATOM 967 CA PRO A 63 -9.341 2.980 -6.300 1.00 0.45 C ATOM 968 C PRO A 63 -8.782 4.262 -6.920 1.00 0.43 C ATOM 969 O PRO A 63 -9.551 5.171 -7.224 1.00 0.47 O ATOM 970 CB PRO A 63 -9.726 1.945 -7.352 1.00 0.50 C ATOM 971 CG PRO A 63 -11.169 2.330 -7.685 1.00 0.56 C ATOM 972 CD PRO A 63 -11.721 2.829 -6.345 1.00 0.58 C ATOM 0 HA PRO A 63 -8.552 2.591 -5.656 1.00 0.45 H new ATOM 0 HB2 PRO A 63 -9.080 1.998 -8.228 1.00 0.50 H new ATOM 0 HB3 PRO A 63 -9.656 0.928 -6.965 1.00 0.50 H new ATOM 0 HG2 PRO A 63 -11.212 3.104 -8.451 1.00 0.56 H new ATOM 0 HG3 PRO A 63 -11.736 1.478 -8.061 1.00 0.56 H new ATOM 0 HD2 PRO A 63 -12.427 3.646 -6.494 1.00 0.58 H new ATOM 0 HD3 PRO A 63 -12.256 2.035 -5.823 1.00 0.58 H new ATOM 980 N VAL A 64 -7.460 4.320 -7.102 1.00 0.39 N ATOM 981 CA VAL A 64 -6.735 5.466 -7.683 1.00 0.37 C ATOM 982 C VAL A 64 -5.661 4.966 -8.665 1.00 0.37 C ATOM 983 O VAL A 64 -5.216 3.823 -8.527 1.00 0.37 O ATOM 984 CB VAL A 64 -6.116 6.390 -6.603 1.00 0.37 C ATOM 985 CG1 VAL A 64 -7.200 6.992 -5.713 1.00 0.46 C ATOM 986 CG2 VAL A 64 -5.049 5.715 -5.732 1.00 0.56 C ATOM 0 H VAL A 64 -6.842 3.551 -6.843 1.00 0.39 H new ATOM 0 HA VAL A 64 -7.461 6.072 -8.225 1.00 0.37 H new ATOM 0 HB VAL A 64 -5.608 7.177 -7.160 1.00 0.37 H new ATOM 0 HG11 VAL A 64 -6.740 7.636 -4.964 1.00 0.46 H new ATOM 0 HG12 VAL A 64 -7.887 7.579 -6.323 1.00 0.46 H new ATOM 0 HG13 VAL A 64 -7.748 6.192 -5.216 1.00 0.46 H new ATOM 0 HG21 VAL A 64 -4.668 6.431 -5.003 1.00 0.56 H new ATOM 0 HG22 VAL A 64 -5.489 4.865 -5.210 1.00 0.56 H new ATOM 0 HG23 VAL A 64 -4.230 5.369 -6.363 1.00 0.56 H new ATOM 996 N PRO A 65 -5.263 5.767 -9.677 1.00 0.38 N ATOM 997 CA PRO A 65 -4.489 5.278 -10.811 1.00 0.40 C ATOM 998 C PRO A 65 -2.996 5.169 -10.506 1.00 0.37 C ATOM 999 O PRO A 65 -2.341 4.327 -11.113 1.00 0.36 O ATOM 1000 CB PRO A 65 -4.776 6.267 -11.941 1.00 0.45 C ATOM 1001 CG PRO A 65 -4.966 7.591 -11.205 1.00 0.45 C ATOM 1002 CD PRO A 65 -5.637 7.161 -9.901 1.00 0.41 C ATOM 0 HA PRO A 65 -4.777 4.261 -11.077 1.00 0.40 H new ATOM 0 HB2 PRO A 65 -3.951 6.316 -12.652 1.00 0.45 H new ATOM 0 HB3 PRO A 65 -5.667 5.988 -12.504 1.00 0.45 H new ATOM 0 HG2 PRO A 65 -4.016 8.093 -11.024 1.00 0.45 H new ATOM 0 HG3 PRO A 65 -5.589 8.283 -11.772 1.00 0.45 H new ATOM 0 HD2 PRO A 65 -5.309 7.788 -9.072 1.00 0.41 H new ATOM 0 HD3 PRO A 65 -6.720 7.265 -9.970 1.00 0.41 H new ATOM 1010 N PHE A 66 -2.469 5.993 -9.588 1.00 0.38 N ATOM 1011 CA PHE A 66 -1.042 6.061 -9.233 1.00 0.39 C ATOM 1012 C PHE A 66 -0.766 7.058 -8.097 1.00 0.45 C ATOM 1013 O PHE A 66 -1.580 7.932 -7.799 1.00 0.50 O ATOM 1014 CB PHE A 66 -0.176 6.401 -10.464 1.00 0.40 C ATOM 1015 CG PHE A 66 -0.439 7.764 -11.047 1.00 0.45 C ATOM 1016 CD1 PHE A 66 0.179 8.887 -10.478 1.00 1.85 C ATOM 1017 CD2 PHE A 66 -1.332 7.914 -12.119 1.00 2.03 C ATOM 1018 CE1 PHE A 66 -0.131 10.174 -10.933 1.00 1.84 C ATOM 1019 CE2 PHE A 66 -1.621 9.203 -12.607 1.00 2.08 C ATOM 1020 CZ PHE A 66 -1.030 10.333 -12.008 1.00 0.57 C ATOM 0 H PHE A 66 -3.040 6.650 -9.056 1.00 0.38 H new ATOM 0 HA PHE A 66 -0.767 5.070 -8.872 1.00 0.39 H new ATOM 0 HB2 PHE A 66 0.875 6.335 -10.184 1.00 0.40 H new ATOM 0 HB3 PHE A 66 -0.349 5.649 -11.234 1.00 0.40 H new ATOM 0 HD1 PHE A 66 0.899 8.758 -9.683 1.00 1.85 H new ATOM 0 HD2 PHE A 66 -1.794 7.047 -12.567 1.00 2.03 H new ATOM 0 HE1 PHE A 66 0.315 11.039 -10.464 1.00 1.84 H new ATOM 0 HE2 PHE A 66 -2.296 9.325 -13.441 1.00 2.08 H new ATOM 0 HZ PHE A 66 -1.266 11.322 -12.372 1.00 0.57 H new ATOM 1030 N LEU A 67 0.438 6.963 -7.521 1.00 0.49 N ATOM 1031 CA LEU A 67 1.072 7.992 -6.688 1.00 0.57 C ATOM 1032 C LEU A 67 2.263 8.627 -7.410 1.00 0.61 C ATOM 1033 O LEU A 67 2.922 7.965 -8.207 1.00 0.58 O ATOM 1034 CB LEU A 67 1.603 7.367 -5.385 1.00 0.65 C ATOM 1035 CG LEU A 67 0.594 6.601 -4.516 1.00 0.66 C ATOM 1036 CD1 LEU A 67 1.281 6.258 -3.193 1.00 0.79 C ATOM 1037 CD2 LEU A 67 -0.677 7.404 -4.230 1.00 0.76 C ATOM 0 H LEU A 67 1.021 6.133 -7.627 1.00 0.49 H new ATOM 0 HA LEU A 67 0.316 8.749 -6.477 1.00 0.57 H new ATOM 0 HB2 LEU A 67 2.414 6.686 -5.642 1.00 0.65 H new ATOM 0 HB3 LEU A 67 2.036 8.163 -4.779 1.00 0.65 H new ATOM 0 HG LEU A 67 0.286 5.708 -5.059 1.00 0.66 H new ATOM 0 HD11 LEU A 67 0.587 5.712 -2.553 1.00 0.79 H new ATOM 0 HD12 LEU A 67 2.158 5.640 -3.388 1.00 0.79 H new ATOM 0 HD13 LEU A 67 1.588 7.177 -2.694 1.00 0.79 H new ATOM 0 HD21 LEU A 67 -1.351 6.811 -3.612 1.00 0.76 H new ATOM 0 HD22 LEU A 67 -0.416 8.322 -3.704 1.00 0.76 H new ATOM 0 HD23 LEU A 67 -1.170 7.652 -5.170 1.00 0.76 H new ATOM 1049 N GLU A 68 2.558 9.883 -7.079 1.00 0.69 N ATOM 1050 CA GLU A 68 3.657 10.675 -7.635 1.00 0.80 C ATOM 1051 C GLU A 68 4.562 11.118 -6.486 1.00 0.93 C ATOM 1052 O GLU A 68 4.037 11.576 -5.470 1.00 1.10 O ATOM 1053 CB GLU A 68 3.076 11.935 -8.300 1.00 0.86 C ATOM 1054 CG GLU A 68 4.145 12.806 -8.973 1.00 1.00 C ATOM 1055 CD GLU A 68 4.365 12.365 -10.423 1.00 0.98 C ATOM 1056 OE1 GLU A 68 4.573 11.157 -10.672 1.00 1.88 O ATOM 1057 OE2 GLU A 68 4.232 13.210 -11.331 1.00 2.16 O ATOM 0 H GLU A 68 2.015 10.400 -6.387 1.00 0.69 H new ATOM 0 HA GLU A 68 4.214 10.084 -8.362 1.00 0.80 H new ATOM 0 HB2 GLU A 68 2.336 11.638 -9.044 1.00 0.86 H new ATOM 0 HB3 GLU A 68 2.553 12.527 -7.549 1.00 0.86 H new ATOM 0 HG2 GLU A 68 3.839 13.852 -8.948 1.00 1.00 H new ATOM 0 HG3 GLU A 68 5.081 12.735 -8.419 1.00 1.00 H new ATOM 1064 N VAL A 69 5.891 11.040 -6.647 1.00 0.90 N ATOM 1065 CA VAL A 69 6.820 11.568 -5.630 1.00 0.95 C ATOM 1066 C VAL A 69 8.091 12.207 -6.225 1.00 0.90 C ATOM 1067 O VAL A 69 8.775 11.563 -7.026 1.00 0.83 O ATOM 1068 CB VAL A 69 7.201 10.483 -4.577 1.00 0.93 C ATOM 1069 CG1 VAL A 69 8.121 10.996 -3.452 1.00 1.01 C ATOM 1070 CG2 VAL A 69 5.980 9.883 -3.867 1.00 1.16 C ATOM 0 H VAL A 69 6.345 10.623 -7.460 1.00 0.90 H new ATOM 0 HA VAL A 69 6.272 12.367 -5.130 1.00 0.95 H new ATOM 0 HB VAL A 69 7.719 9.738 -5.181 1.00 0.93 H new ATOM 0 HG11 VAL A 69 8.340 10.182 -2.761 1.00 1.01 H new ATOM 0 HG12 VAL A 69 9.051 11.366 -3.883 1.00 1.01 H new ATOM 0 HG13 VAL A 69 7.624 11.804 -2.915 1.00 1.01 H new ATOM 0 HG21 VAL A 69 6.310 9.134 -3.146 1.00 1.16 H new ATOM 0 HG22 VAL A 69 5.437 10.672 -3.347 1.00 1.16 H new ATOM 0 HG23 VAL A 69 5.325 9.415 -4.602 1.00 1.16 H new ATOM 1080 N PRO A 70 8.446 13.446 -5.814 1.00 1.00 N ATOM 1081 CA PRO A 70 9.660 14.139 -6.247 1.00 1.01 C ATOM 1082 C PRO A 70 10.923 13.531 -5.605 1.00 0.85 C ATOM 1083 O PRO A 70 10.821 12.837 -4.592 1.00 0.83 O ATOM 1084 CB PRO A 70 9.463 15.601 -5.828 1.00 1.19 C ATOM 1085 CG PRO A 70 8.600 15.490 -4.577 1.00 1.23 C ATOM 1086 CD PRO A 70 7.692 14.311 -4.910 1.00 1.19 C ATOM 0 HA PRO A 70 9.811 14.046 -7.322 1.00 1.01 H new ATOM 0 HB2 PRO A 70 10.414 16.092 -5.619 1.00 1.19 H new ATOM 0 HB3 PRO A 70 8.969 16.181 -6.608 1.00 1.19 H new ATOM 0 HG2 PRO A 70 9.199 15.303 -3.686 1.00 1.23 H new ATOM 0 HG3 PRO A 70 8.031 16.402 -4.393 1.00 1.23 H new ATOM 0 HD2 PRO A 70 7.408 13.773 -4.006 1.00 1.19 H new ATOM 0 HD3 PRO A 70 6.770 14.653 -5.380 1.00 1.19 H new ATOM 1094 N PRO A 71 12.118 13.791 -6.168 1.00 0.88 N ATOM 1095 CA PRO A 71 13.377 13.223 -5.690 1.00 0.83 C ATOM 1096 C PRO A 71 13.689 13.588 -4.238 1.00 0.86 C ATOM 1097 O PRO A 71 13.430 14.708 -3.801 1.00 0.96 O ATOM 1098 CB PRO A 71 14.447 13.709 -6.664 1.00 0.99 C ATOM 1099 CG PRO A 71 13.837 14.928 -7.346 1.00 1.10 C ATOM 1100 CD PRO A 71 12.350 14.611 -7.346 1.00 1.05 C ATOM 0 HA PRO A 71 13.327 12.134 -5.672 1.00 0.83 H new ATOM 0 HB2 PRO A 71 15.367 13.969 -6.141 1.00 0.99 H new ATOM 0 HB3 PRO A 71 14.700 12.936 -7.390 1.00 0.99 H new ATOM 0 HG2 PRO A 71 14.054 15.846 -6.801 1.00 1.10 H new ATOM 0 HG3 PRO A 71 14.222 15.059 -8.357 1.00 1.10 H new ATOM 0 HD2 PRO A 71 11.756 15.524 -7.310 1.00 1.05 H new ATOM 0 HD3 PRO A 71 12.064 14.080 -8.254 1.00 1.05 H new ATOM 1108 N LYS A 72 14.237 12.618 -3.493 1.00 0.88 N ATOM 1109 CA LYS A 72 14.681 12.722 -2.090 1.00 1.00 C ATOM 1110 C LYS A 72 13.541 12.882 -1.068 1.00 1.04 C ATOM 1111 O LYS A 72 13.791 12.978 0.133 1.00 1.24 O ATOM 1112 CB LYS A 72 15.745 13.823 -1.923 1.00 1.14 C ATOM 1113 CG LYS A 72 16.837 13.818 -3.001 1.00 1.31 C ATOM 1114 CD LYS A 72 17.641 12.512 -3.089 1.00 1.33 C ATOM 1115 CE LYS A 72 18.551 12.576 -4.316 1.00 1.64 C ATOM 1116 NZ LYS A 72 19.299 11.319 -4.542 1.00 2.10 N ATOM 0 H LYS A 72 14.393 11.684 -3.873 1.00 0.88 H new ATOM 0 HA LYS A 72 15.133 11.757 -1.860 1.00 1.00 H new ATOM 0 HB2 LYS A 72 15.250 14.794 -1.929 1.00 1.14 H new ATOM 0 HB3 LYS A 72 16.215 13.712 -0.946 1.00 1.14 H new ATOM 0 HG2 LYS A 72 16.375 14.011 -3.969 1.00 1.31 H new ATOM 0 HG3 LYS A 72 17.525 14.641 -2.807 1.00 1.31 H new ATOM 0 HD2 LYS A 72 18.235 12.373 -2.186 1.00 1.33 H new ATOM 0 HD3 LYS A 72 16.967 11.658 -3.163 1.00 1.33 H new ATOM 0 HE2 LYS A 72 17.950 12.799 -5.197 1.00 1.64 H new ATOM 0 HE3 LYS A 72 19.258 13.397 -4.196 1.00 1.64 H new ATOM 0 HZ1 LYS A 72 19.476 11.199 -5.560 1.00 2.10 H new ATOM 0 HZ2 LYS A 72 20.206 11.359 -4.035 1.00 2.10 H new ATOM 0 HZ3 LYS A 72 18.741 10.515 -4.190 1.00 2.10 H new ATOM 1130 N GLY A 73 12.289 12.906 -1.536 1.00 0.98 N ATOM 1131 CA GLY A 73 11.061 12.879 -0.722 1.00 1.08 C ATOM 1132 C GLY A 73 10.597 11.456 -0.372 1.00 1.02 C ATOM 1133 O GLY A 73 11.162 10.479 -0.856 1.00 0.93 O ATOM 0 H GLY A 73 12.091 12.947 -2.536 1.00 0.98 H new ATOM 0 HA2 GLY A 73 11.232 13.435 0.200 1.00 1.08 H new ATOM 0 HA3 GLY A 73 10.264 13.392 -1.261 1.00 1.08 H new ATOM 1137 N ARG A 74 9.533 11.334 0.443 1.00 1.24 N ATOM 1138 CA ARG A 74 8.872 10.052 0.759 1.00 1.21 C ATOM 1139 C ARG A 74 7.403 10.228 1.174 1.00 1.36 C ATOM 1140 O ARG A 74 7.093 11.079 2.006 1.00 1.78 O ATOM 1141 CB ARG A 74 9.681 9.229 1.791 1.00 1.57 C ATOM 1142 CG ARG A 74 9.925 9.852 3.184 1.00 1.42 C ATOM 1143 CD ARG A 74 9.051 9.316 4.322 1.00 1.69 C ATOM 1144 NE ARG A 74 7.881 10.171 4.602 1.00 3.15 N ATOM 1145 CZ ARG A 74 7.059 10.034 5.638 1.00 4.04 C ATOM 1146 NH1 ARG A 74 7.141 9.042 6.493 1.00 4.01 N ATOM 1147 NH2 ARG A 74 6.067 10.871 5.832 1.00 5.66 N ATOM 0 H ARG A 74 9.102 12.133 0.907 1.00 1.24 H new ATOM 0 HA ARG A 74 8.854 9.475 -0.165 1.00 1.21 H new ATOM 0 HB2 ARG A 74 9.168 8.278 1.936 1.00 1.57 H new ATOM 0 HB3 ARG A 74 10.652 9.004 1.351 1.00 1.57 H new ATOM 0 HG2 ARG A 74 10.970 9.697 3.451 1.00 1.42 H new ATOM 0 HG3 ARG A 74 9.771 10.929 3.111 1.00 1.42 H new ATOM 0 HD2 ARG A 74 8.709 8.313 4.068 1.00 1.69 H new ATOM 0 HD3 ARG A 74 9.654 9.228 5.226 1.00 1.69 H new ATOM 0 HE ARG A 74 7.687 10.929 3.947 1.00 3.15 H new ATOM 0 HH11 ARG A 74 7.861 8.329 6.379 1.00 4.01 H new ATOM 0 HH12 ARG A 74 6.484 8.984 7.271 1.00 4.01 H new ATOM 0 HH21 ARG A 74 5.916 11.643 5.182 1.00 5.66 H new ATOM 0 HH22 ARG A 74 5.447 10.750 6.633 1.00 5.66 H new ATOM 1161 N VAL A 75 6.511 9.418 0.601 1.00 1.59 N ATOM 1162 CA VAL A 75 5.056 9.385 0.830 1.00 2.08 C ATOM 1163 C VAL A 75 4.632 7.966 1.230 1.00 1.69 C ATOM 1164 O VAL A 75 4.578 7.033 0.450 1.00 1.95 O ATOM 1165 CB VAL A 75 4.253 9.854 -0.411 1.00 2.94 C ATOM 1166 CG1 VAL A 75 2.732 9.774 -0.163 1.00 3.55 C ATOM 1167 CG2 VAL A 75 4.609 11.313 -0.750 1.00 3.43 C ATOM 0 H VAL A 75 6.800 8.718 -0.082 1.00 1.59 H new ATOM 0 HA VAL A 75 4.831 10.082 1.637 1.00 2.08 H new ATOM 0 HB VAL A 75 4.517 9.193 -1.236 1.00 2.94 H new ATOM 0 HG11 VAL A 75 2.200 10.110 -1.053 1.00 3.55 H new ATOM 0 HG12 VAL A 75 2.453 8.744 0.059 1.00 3.55 H new ATOM 0 HG13 VAL A 75 2.467 10.411 0.680 1.00 3.55 H new ATOM 0 HG21 VAL A 75 4.040 11.633 -1.623 1.00 3.43 H new ATOM 0 HG22 VAL A 75 4.364 11.954 0.097 1.00 3.43 H new ATOM 0 HG23 VAL A 75 5.675 11.387 -0.965 1.00 3.43 H new ATOM 1177 N GLU A 76 4.286 7.821 2.491 1.00 1.37 N ATOM 1178 CA GLU A 76 3.755 6.623 3.146 1.00 1.09 C ATOM 1179 C GLU A 76 2.264 6.399 2.830 1.00 1.04 C ATOM 1180 O GLU A 76 1.428 7.278 3.069 1.00 1.33 O ATOM 1181 CB GLU A 76 3.967 6.762 4.672 1.00 1.30 C ATOM 1182 CG GLU A 76 3.933 8.250 5.083 1.00 2.24 C ATOM 1183 CD GLU A 76 3.498 8.598 6.496 1.00 2.57 C ATOM 1184 OE1 GLU A 76 2.286 8.412 6.747 1.00 3.63 O ATOM 1185 OE2 GLU A 76 4.295 9.267 7.190 1.00 2.88 O ATOM 0 H GLU A 76 4.372 8.597 3.147 1.00 1.37 H new ATOM 0 HA GLU A 76 4.290 5.753 2.765 1.00 1.09 H new ATOM 0 HB2 GLU A 76 3.192 6.212 5.206 1.00 1.30 H new ATOM 0 HB3 GLU A 76 4.923 6.321 4.955 1.00 1.30 H new ATOM 0 HG2 GLU A 76 4.932 8.659 4.933 1.00 2.24 H new ATOM 0 HG3 GLU A 76 3.268 8.770 4.393 1.00 2.24 H new ATOM 1192 N LEU A 77 1.928 5.195 2.351 1.00 0.79 N ATOM 1193 CA LEU A 77 0.569 4.678 2.204 1.00 0.76 C ATOM 1194 C LEU A 77 0.000 4.302 3.588 1.00 1.10 C ATOM 1195 O LEU A 77 -0.043 3.141 3.984 1.00 2.13 O ATOM 1196 CB LEU A 77 0.564 3.497 1.201 1.00 0.69 C ATOM 1197 CG LEU A 77 0.753 3.857 -0.294 1.00 0.77 C ATOM 1198 CD1 LEU A 77 2.211 3.828 -0.767 1.00 0.70 C ATOM 1199 CD2 LEU A 77 -0.071 2.897 -1.161 1.00 1.19 C ATOM 0 H LEU A 77 2.633 4.526 2.042 1.00 0.79 H new ATOM 0 HA LEU A 77 -0.087 5.445 1.792 1.00 0.76 H new ATOM 0 HB2 LEU A 77 1.355 2.803 1.487 1.00 0.69 H new ATOM 0 HB3 LEU A 77 -0.381 2.964 1.306 1.00 0.69 H new ATOM 0 HG LEU A 77 0.411 4.886 -0.401 1.00 0.77 H new ATOM 0 HD11 LEU A 77 2.256 4.091 -1.824 1.00 0.70 H new ATOM 0 HD12 LEU A 77 2.795 4.544 -0.189 1.00 0.70 H new ATOM 0 HD13 LEU A 77 2.620 2.828 -0.625 1.00 0.70 H new ATOM 0 HD21 LEU A 77 0.062 3.151 -2.213 1.00 1.19 H new ATOM 0 HD22 LEU A 77 0.263 1.874 -0.989 1.00 1.19 H new ATOM 0 HD23 LEU A 77 -1.125 2.983 -0.898 1.00 1.19 H new ATOM 1211 N LYS A 78 -0.382 5.318 4.366 1.00 0.98 N ATOM 1212 CA LYS A 78 -0.814 5.168 5.761 1.00 1.19 C ATOM 1213 C LYS A 78 -2.164 4.423 5.949 1.00 1.10 C ATOM 1214 O LYS A 78 -3.043 4.532 5.090 1.00 1.01 O ATOM 1215 CB LYS A 78 -0.792 6.549 6.461 1.00 1.55 C ATOM 1216 CG LYS A 78 -1.927 7.540 6.119 1.00 1.65 C ATOM 1217 CD LYS A 78 -1.822 8.313 4.794 1.00 2.01 C ATOM 1218 CE LYS A 78 -0.894 9.538 4.857 1.00 1.88 C ATOM 1219 NZ LYS A 78 0.545 9.192 4.891 1.00 2.41 N ATOM 0 H LYS A 78 -0.401 6.284 4.040 1.00 0.98 H new ATOM 0 HA LYS A 78 -0.094 4.508 6.245 1.00 1.19 H new ATOM 0 HB2 LYS A 78 -0.806 6.381 7.538 1.00 1.55 H new ATOM 0 HB3 LYS A 78 0.157 7.030 6.226 1.00 1.55 H new ATOM 0 HG2 LYS A 78 -2.866 6.986 6.111 1.00 1.65 H new ATOM 0 HG3 LYS A 78 -1.993 8.267 6.928 1.00 1.65 H new ATOM 0 HD2 LYS A 78 -1.462 7.637 4.018 1.00 2.01 H new ATOM 0 HD3 LYS A 78 -2.818 8.640 4.496 1.00 2.01 H new ATOM 0 HE2 LYS A 78 -1.086 10.173 3.992 1.00 1.88 H new ATOM 0 HE3 LYS A 78 -1.139 10.124 5.743 1.00 1.88 H new ATOM 0 HZ1 LYS A 78 1.101 9.979 4.500 1.00 2.41 H new ATOM 0 HZ2 LYS A 78 0.837 9.017 5.874 1.00 2.41 H new ATOM 0 HZ3 LYS A 78 0.710 8.337 4.323 1.00 2.41 H new ATOM 1233 N PRO A 79 -2.400 3.793 7.127 1.00 1.37 N ATOM 1234 CA PRO A 79 -3.662 3.123 7.470 1.00 1.53 C ATOM 1235 C PRO A 79 -4.927 3.993 7.463 1.00 1.43 C ATOM 1236 O PRO A 79 -6.023 3.439 7.426 1.00 2.37 O ATOM 1237 CB PRO A 79 -3.434 2.453 8.831 1.00 1.93 C ATOM 1238 CG PRO A 79 -2.282 3.250 9.435 1.00 1.95 C ATOM 1239 CD PRO A 79 -1.442 3.581 8.206 1.00 1.77 C ATOM 0 HA PRO A 79 -3.886 2.408 6.678 1.00 1.53 H new ATOM 0 HB2 PRO A 79 -4.326 2.501 9.456 1.00 1.93 H new ATOM 0 HB3 PRO A 79 -3.178 1.399 8.721 1.00 1.93 H new ATOM 0 HG2 PRO A 79 -2.631 4.148 9.944 1.00 1.95 H new ATOM 0 HG3 PRO A 79 -1.722 2.667 10.166 1.00 1.95 H new ATOM 0 HD2 PRO A 79 -0.835 4.471 8.373 1.00 1.77 H new ATOM 0 HD3 PRO A 79 -0.756 2.768 7.968 1.00 1.77 H new ATOM 1247 N GLY A 80 -4.800 5.327 7.471 1.00 0.85 N ATOM 1248 CA GLY A 80 -5.935 6.251 7.348 1.00 0.96 C ATOM 1249 C GLY A 80 -6.178 6.806 5.940 1.00 1.11 C ATOM 1250 O GLY A 80 -7.091 7.609 5.782 1.00 1.95 O ATOM 0 H GLY A 80 -3.900 5.798 7.564 1.00 0.85 H new ATOM 0 HA2 GLY A 80 -6.838 5.738 7.679 1.00 0.96 H new ATOM 0 HA3 GLY A 80 -5.776 7.088 8.028 1.00 0.96 H new ATOM 1254 N GLY A 81 -5.364 6.454 4.932 1.00 0.67 N ATOM 1255 CA GLY A 81 -5.462 7.021 3.576 1.00 0.67 C ATOM 1256 C GLY A 81 -5.090 6.046 2.471 1.00 0.76 C ATOM 1257 O GLY A 81 -5.772 5.038 2.265 1.00 1.54 O ATOM 0 H GLY A 81 -4.617 5.767 5.034 1.00 0.67 H new ATOM 0 HA2 GLY A 81 -6.482 7.369 3.411 1.00 0.67 H new ATOM 0 HA3 GLY A 81 -4.813 7.894 3.510 1.00 0.67 H new ATOM 1261 N TYR A 82 -4.014 6.339 1.736 1.00 0.66 N ATOM 1262 CA TYR A 82 -3.646 5.526 0.572 1.00 0.64 C ATOM 1263 C TYR A 82 -3.129 4.164 1.018 1.00 0.64 C ATOM 1264 O TYR A 82 -2.453 4.060 2.032 1.00 0.71 O ATOM 1265 CB TYR A 82 -2.549 6.195 -0.258 1.00 0.64 C ATOM 1266 CG TYR A 82 -2.984 7.436 -1.001 1.00 0.66 C ATOM 1267 CD1 TYR A 82 -3.915 7.307 -2.043 1.00 1.77 C ATOM 1268 CD2 TYR A 82 -2.442 8.697 -0.686 1.00 1.73 C ATOM 1269 CE1 TYR A 82 -4.315 8.439 -2.771 1.00 1.81 C ATOM 1270 CE2 TYR A 82 -2.833 9.833 -1.422 1.00 1.76 C ATOM 1271 CZ TYR A 82 -3.774 9.705 -2.471 1.00 0.82 C ATOM 1272 OH TYR A 82 -4.158 10.790 -3.197 1.00 0.96 O ATOM 0 H TYR A 82 -3.389 7.123 1.922 1.00 0.66 H new ATOM 0 HA TYR A 82 -4.545 5.417 -0.035 1.00 0.64 H new ATOM 0 HB2 TYR A 82 -1.721 6.455 0.402 1.00 0.64 H new ATOM 0 HB3 TYR A 82 -2.167 5.472 -0.979 1.00 0.64 H new ATOM 0 HD1 TYR A 82 -4.324 6.337 -2.285 1.00 1.77 H new ATOM 0 HD2 TYR A 82 -1.728 8.793 0.118 1.00 1.73 H new ATOM 0 HE1 TYR A 82 -5.041 8.339 -3.565 1.00 1.81 H new ATOM 0 HE2 TYR A 82 -2.415 10.800 -1.186 1.00 1.76 H new ATOM 0 HH TYR A 82 -3.695 11.587 -2.864 1.00 0.96 H new ATOM 1282 N HIS A 83 -3.479 3.123 0.280 1.00 0.58 N ATOM 1283 CA HIS A 83 -3.088 1.736 0.552 1.00 0.56 C ATOM 1284 C HIS A 83 -3.251 0.851 -0.688 1.00 0.51 C ATOM 1285 O HIS A 83 -4.046 1.170 -1.571 1.00 0.59 O ATOM 1286 CB HIS A 83 -3.896 1.211 1.737 1.00 0.61 C ATOM 1287 CG HIS A 83 -5.372 1.177 1.486 1.00 0.62 C ATOM 1288 ND1 HIS A 83 -6.225 2.250 1.544 1.00 0.64 N ATOM 1289 CD2 HIS A 83 -6.087 0.101 1.043 1.00 0.60 C ATOM 1290 CE1 HIS A 83 -7.438 1.840 1.142 1.00 0.62 C ATOM 1291 NE2 HIS A 83 -7.397 0.532 0.853 1.00 0.61 N ATOM 0 H HIS A 83 -4.061 3.216 -0.552 1.00 0.58 H new ATOM 0 HA HIS A 83 -2.029 1.707 0.809 1.00 0.56 H new ATOM 0 HB2 HIS A 83 -3.554 0.206 1.983 1.00 0.61 H new ATOM 0 HB3 HIS A 83 -3.698 1.837 2.607 1.00 0.61 H new ATOM 0 HD1 HIS A 83 -5.980 3.195 1.841 1.00 0.64 H new ATOM 0 HD2 HIS A 83 -5.708 -0.896 0.872 1.00 0.60 H new ATOM 0 HE1 HIS A 83 -8.313 2.468 1.063 1.00 0.62 H new ATOM 1299 N PHE A 84 -2.576 -0.298 -0.718 1.00 0.44 N ATOM 1300 CA PHE A 84 -2.869 -1.344 -1.697 1.00 0.45 C ATOM 1301 C PHE A 84 -3.876 -2.333 -1.104 1.00 0.44 C ATOM 1302 O PHE A 84 -3.659 -2.827 -0.003 1.00 0.54 O ATOM 1303 CB PHE A 84 -1.582 -2.070 -2.106 1.00 0.51 C ATOM 1304 CG PHE A 84 -0.685 -1.216 -2.970 1.00 0.55 C ATOM 1305 CD1 PHE A 84 -0.887 -1.168 -4.361 1.00 1.86 C ATOM 1306 CD2 PHE A 84 0.298 -0.407 -2.376 1.00 1.54 C ATOM 1307 CE1 PHE A 84 -0.104 -0.315 -5.154 1.00 1.91 C ATOM 1308 CE2 PHE A 84 1.062 0.467 -3.167 1.00 1.59 C ATOM 1309 CZ PHE A 84 0.856 0.516 -4.550 1.00 0.80 C ATOM 0 H PHE A 84 -1.820 -0.528 -0.073 1.00 0.44 H new ATOM 0 HA PHE A 84 -3.300 -0.888 -2.588 1.00 0.45 H new ATOM 0 HB2 PHE A 84 -1.039 -2.371 -1.210 1.00 0.51 H new ATOM 0 HB3 PHE A 84 -1.839 -2.982 -2.645 1.00 0.51 H new ATOM 0 HD1 PHE A 84 -1.644 -1.787 -4.819 1.00 1.86 H new ATOM 0 HD2 PHE A 84 0.466 -0.457 -1.310 1.00 1.54 H new ATOM 0 HE1 PHE A 84 -0.238 -0.297 -6.225 1.00 1.91 H new ATOM 0 HE2 PHE A 84 1.807 1.100 -2.708 1.00 1.59 H new ATOM 0 HZ PHE A 84 1.437 1.195 -5.156 1.00 0.80 H new ATOM 1319 N MET A 85 -4.943 -2.663 -1.822 1.00 0.42 N ATOM 1320 CA MET A 85 -5.844 -3.785 -1.528 1.00 0.39 C ATOM 1321 C MET A 85 -5.264 -5.057 -2.138 1.00 0.37 C ATOM 1322 O MET A 85 -4.927 -5.061 -3.318 1.00 0.41 O ATOM 1323 CB MET A 85 -7.241 -3.530 -2.100 1.00 0.45 C ATOM 1324 CG MET A 85 -8.323 -4.022 -1.132 1.00 0.55 C ATOM 1325 SD MET A 85 -8.506 -2.975 0.345 1.00 0.69 S ATOM 1326 CE MET A 85 -9.504 -4.072 1.393 1.00 0.76 C ATOM 0 H MET A 85 -5.219 -2.143 -2.655 1.00 0.42 H new ATOM 0 HA MET A 85 -5.934 -3.892 -0.447 1.00 0.39 H new ATOM 0 HB2 MET A 85 -7.373 -2.465 -2.289 1.00 0.45 H new ATOM 0 HB3 MET A 85 -7.345 -4.039 -3.058 1.00 0.45 H new ATOM 0 HG2 MET A 85 -9.277 -4.065 -1.657 1.00 0.55 H new ATOM 0 HG3 MET A 85 -8.085 -5.039 -0.820 1.00 0.55 H new ATOM 0 HE1 MET A 85 -9.708 -3.580 2.344 1.00 0.76 H new ATOM 0 HE2 MET A 85 -10.445 -4.297 0.892 1.00 0.76 H new ATOM 0 HE3 MET A 85 -8.959 -4.998 1.573 1.00 0.76 H new ATOM 1336 N LEU A 86 -5.147 -6.119 -1.347 1.00 0.43 N ATOM 1337 CA LEU A 86 -4.545 -7.388 -1.753 1.00 0.43 C ATOM 1338 C LEU A 86 -5.627 -8.468 -1.739 1.00 0.44 C ATOM 1339 O LEU A 86 -6.051 -8.880 -0.661 1.00 0.52 O ATOM 1340 CB LEU A 86 -3.423 -7.744 -0.758 1.00 0.48 C ATOM 1341 CG LEU A 86 -2.047 -7.105 -1.024 1.00 0.57 C ATOM 1342 CD1 LEU A 86 -2.018 -5.589 -0.793 1.00 1.10 C ATOM 1343 CD2 LEU A 86 -1.013 -7.750 -0.088 1.00 1.08 C ATOM 0 H LEU A 86 -5.476 -6.123 -0.381 1.00 0.43 H new ATOM 0 HA LEU A 86 -4.124 -7.313 -2.756 1.00 0.43 H new ATOM 0 HB2 LEU A 86 -3.747 -7.454 0.241 1.00 0.48 H new ATOM 0 HB3 LEU A 86 -3.302 -8.827 -0.752 1.00 0.48 H new ATOM 0 HG LEU A 86 -1.820 -7.278 -2.076 1.00 0.57 H new ATOM 0 HD11 LEU A 86 -1.018 -5.209 -1.000 1.00 1.10 H new ATOM 0 HD12 LEU A 86 -2.734 -5.106 -1.458 1.00 1.10 H new ATOM 0 HD13 LEU A 86 -2.281 -5.374 0.243 1.00 1.10 H new ATOM 0 HD21 LEU A 86 -0.034 -7.306 -0.267 1.00 1.08 H new ATOM 0 HD22 LEU A 86 -1.305 -7.581 0.948 1.00 1.08 H new ATOM 0 HD23 LEU A 86 -0.966 -8.822 -0.281 1.00 1.08 H new ATOM 1355 N LEU A 87 -6.088 -8.937 -2.898 1.00 0.56 N ATOM 1356 CA LEU A 87 -7.120 -9.969 -2.993 1.00 0.60 C ATOM 1357 C LEU A 87 -6.522 -11.305 -3.450 1.00 0.54 C ATOM 1358 O LEU A 87 -5.550 -11.356 -4.205 1.00 0.61 O ATOM 1359 CB LEU A 87 -8.266 -9.509 -3.917 1.00 0.92 C ATOM 1360 CG LEU A 87 -9.055 -8.269 -3.433 1.00 1.04 C ATOM 1361 CD1 LEU A 87 -8.419 -6.931 -3.843 1.00 1.63 C ATOM 1362 CD2 LEU A 87 -10.486 -8.330 -3.980 1.00 2.29 C ATOM 0 H LEU A 87 -5.753 -8.609 -3.804 1.00 0.56 H new ATOM 0 HA LEU A 87 -7.541 -10.127 -2.000 1.00 0.60 H new ATOM 0 HB2 LEU A 87 -7.851 -9.292 -4.901 1.00 0.92 H new ATOM 0 HB3 LEU A 87 -8.964 -10.337 -4.041 1.00 0.92 H new ATOM 0 HG LEU A 87 -9.044 -8.303 -2.344 1.00 1.04 H new ATOM 0 HD11 LEU A 87 -9.028 -6.109 -3.468 1.00 1.63 H new ATOM 0 HD12 LEU A 87 -7.416 -6.861 -3.422 1.00 1.63 H new ATOM 0 HD13 LEU A 87 -8.361 -6.874 -4.930 1.00 1.63 H new ATOM 0 HD21 LEU A 87 -11.043 -7.457 -3.640 1.00 2.29 H new ATOM 0 HD22 LEU A 87 -10.459 -8.341 -5.070 1.00 2.29 H new ATOM 0 HD23 LEU A 87 -10.975 -9.235 -3.620 1.00 2.29 H new ATOM 1374 N GLY A 88 -7.114 -12.409 -2.994 1.00 0.57 N ATOM 1375 CA GLY A 88 -6.732 -13.768 -3.399 1.00 0.67 C ATOM 1376 C GLY A 88 -5.425 -14.245 -2.764 1.00 0.86 C ATOM 1377 O GLY A 88 -4.580 -14.790 -3.475 1.00 1.71 O ATOM 0 H GLY A 88 -7.883 -12.388 -2.324 1.00 0.57 H new ATOM 0 HA2 GLY A 88 -7.532 -14.458 -3.129 1.00 0.67 H new ATOM 0 HA3 GLY A 88 -6.634 -13.802 -4.484 1.00 0.67 H new ATOM 1381 N LEU A 89 -5.236 -13.992 -1.463 1.00 0.57 N ATOM 1382 CA LEU A 89 -4.070 -14.411 -0.676 1.00 0.56 C ATOM 1383 C LEU A 89 -3.655 -15.860 -0.865 1.00 0.60 C ATOM 1384 O LEU A 89 -4.453 -16.756 -1.131 1.00 0.80 O ATOM 1385 CB LEU A 89 -4.212 -14.179 0.834 1.00 0.64 C ATOM 1386 CG LEU A 89 -4.803 -12.850 1.339 1.00 0.69 C ATOM 1387 CD1 LEU A 89 -4.600 -12.809 2.858 1.00 0.87 C ATOM 1388 CD2 LEU A 89 -4.175 -11.602 0.701 1.00 0.56 C ATOM 0 H LEU A 89 -5.916 -13.471 -0.909 1.00 0.57 H new ATOM 0 HA LEU A 89 -3.297 -13.760 -1.084 1.00 0.56 H new ATOM 0 HB2 LEU A 89 -4.829 -14.984 1.233 1.00 0.64 H new ATOM 0 HB3 LEU A 89 -3.222 -14.287 1.277 1.00 0.64 H new ATOM 0 HG LEU A 89 -5.856 -12.823 1.057 1.00 0.69 H new ATOM 0 HD11 LEU A 89 -5.007 -11.879 3.255 1.00 0.87 H new ATOM 0 HD12 LEU A 89 -5.113 -13.654 3.317 1.00 0.87 H new ATOM 0 HD13 LEU A 89 -3.535 -12.864 3.084 1.00 0.87 H new ATOM 0 HD21 LEU A 89 -4.646 -10.708 1.110 1.00 0.56 H new ATOM 0 HD22 LEU A 89 -3.107 -11.581 0.918 1.00 0.56 H new ATOM 0 HD23 LEU A 89 -4.326 -11.630 -0.378 1.00 0.56 H new ATOM 1400 N LYS A 90 -2.354 -16.055 -0.682 1.00 0.56 N ATOM 1401 CA LYS A 90 -1.683 -17.329 -0.956 1.00 0.60 C ATOM 1402 C LYS A 90 -1.254 -18.094 0.295 1.00 0.68 C ATOM 1403 O LYS A 90 -1.103 -19.315 0.277 1.00 0.81 O ATOM 1404 CB LYS A 90 -0.519 -17.077 -1.908 1.00 0.61 C ATOM 1405 CG LYS A 90 -0.871 -16.301 -3.207 1.00 0.63 C ATOM 1406 CD LYS A 90 -2.051 -16.979 -3.899 1.00 1.04 C ATOM 1407 CE LYS A 90 -2.487 -16.408 -5.250 1.00 1.20 C ATOM 1408 NZ LYS A 90 -3.856 -16.887 -5.573 1.00 2.09 N ATOM 0 H LYS A 90 -1.726 -15.329 -0.336 1.00 0.56 H new ATOM 0 HA LYS A 90 -2.409 -17.990 -1.428 1.00 0.60 H new ATOM 0 HB2 LYS A 90 0.252 -16.523 -1.372 1.00 0.61 H new ATOM 0 HB3 LYS A 90 -0.086 -18.038 -2.186 1.00 0.61 H new ATOM 0 HG2 LYS A 90 -1.120 -15.267 -2.970 1.00 0.63 H new ATOM 0 HG3 LYS A 90 -0.009 -16.277 -3.874 1.00 0.63 H new ATOM 0 HD2 LYS A 90 -1.802 -18.031 -4.041 1.00 1.04 H new ATOM 0 HD3 LYS A 90 -2.906 -16.942 -3.224 1.00 1.04 H new ATOM 0 HE2 LYS A 90 -2.470 -15.319 -5.219 1.00 1.20 H new ATOM 0 HE3 LYS A 90 -1.789 -16.716 -6.029 1.00 1.20 H new ATOM 0 HZ1 LYS A 90 -4.132 -16.540 -6.514 1.00 2.09 H new ATOM 0 HZ2 LYS A 90 -3.870 -17.927 -5.569 1.00 2.09 H new ATOM 0 HZ3 LYS A 90 -4.526 -16.529 -4.862 1.00 2.09 H new ATOM 1422 N ARG A 91 -1.129 -17.362 1.394 1.00 0.71 N ATOM 1423 CA ARG A 91 -1.083 -17.848 2.756 1.00 0.84 C ATOM 1424 C ARG A 91 -2.023 -17.027 3.654 1.00 0.82 C ATOM 1425 O ARG A 91 -2.116 -15.817 3.423 1.00 0.85 O ATOM 1426 CB ARG A 91 0.378 -17.793 3.213 1.00 1.18 C ATOM 1427 CG ARG A 91 1.202 -16.507 3.005 1.00 1.45 C ATOM 1428 CD ARG A 91 0.819 -15.305 3.883 1.00 3.42 C ATOM 1429 NE ARG A 91 1.985 -14.743 4.587 1.00 4.22 N ATOM 1430 CZ ARG A 91 2.490 -15.207 5.725 1.00 4.93 C ATOM 1431 NH1 ARG A 91 1.944 -16.191 6.407 1.00 5.45 N ATOM 1432 NH2 ARG A 91 3.582 -14.694 6.240 1.00 5.75 N ATOM 0 H ARG A 91 -1.052 -16.346 1.348 1.00 0.71 H new ATOM 0 HA ARG A 91 -1.436 -18.877 2.823 1.00 0.84 H new ATOM 0 HB2 ARG A 91 0.393 -18.019 4.279 1.00 1.18 H new ATOM 0 HB3 ARG A 91 0.906 -18.602 2.708 1.00 1.18 H new ATOM 0 HG2 ARG A 91 2.252 -16.740 3.183 1.00 1.45 H new ATOM 0 HG3 ARG A 91 1.114 -16.209 1.960 1.00 1.45 H new ATOM 0 HD2 ARG A 91 0.363 -14.533 3.263 1.00 3.42 H new ATOM 0 HD3 ARG A 91 0.069 -15.612 4.612 1.00 3.42 H new ATOM 0 HE ARG A 91 2.441 -13.933 4.167 1.00 4.22 H new ATOM 0 HH11 ARG A 91 1.092 -16.636 6.067 1.00 5.45 H new ATOM 0 HH12 ARG A 91 2.373 -16.509 7.276 1.00 5.45 H new ATOM 0 HH21 ARG A 91 4.058 -13.926 5.766 1.00 5.75 H new ATOM 0 HH22 ARG A 91 3.955 -15.063 7.115 1.00 5.75 H new ATOM 1446 N PRO A 92 -2.665 -17.632 4.672 1.00 0.91 N ATOM 1447 CA PRO A 92 -3.262 -16.879 5.767 1.00 1.04 C ATOM 1448 C PRO A 92 -2.145 -16.211 6.572 1.00 1.11 C ATOM 1449 O PRO A 92 -1.008 -16.696 6.574 1.00 1.47 O ATOM 1450 CB PRO A 92 -4.036 -17.908 6.596 1.00 1.21 C ATOM 1451 CG PRO A 92 -3.223 -19.187 6.399 1.00 1.21 C ATOM 1452 CD PRO A 92 -2.712 -19.060 4.964 1.00 1.02 C ATOM 0 HA PRO A 92 -3.931 -16.086 5.434 1.00 1.04 H new ATOM 0 HB2 PRO A 92 -4.091 -17.622 7.646 1.00 1.21 H new ATOM 0 HB3 PRO A 92 -5.061 -18.022 6.243 1.00 1.21 H new ATOM 0 HG2 PRO A 92 -2.403 -19.257 7.114 1.00 1.21 H new ATOM 0 HG3 PRO A 92 -3.837 -20.078 6.530 1.00 1.21 H new ATOM 0 HD2 PRO A 92 -1.725 -19.511 4.861 1.00 1.02 H new ATOM 0 HD3 PRO A 92 -3.373 -19.578 4.269 1.00 1.02 H new ATOM 1460 N LEU A 93 -2.463 -15.103 7.248 1.00 1.27 N ATOM 1461 CA LEU A 93 -1.479 -14.278 7.950 1.00 1.32 C ATOM 1462 C LEU A 93 -2.059 -13.610 9.206 1.00 1.26 C ATOM 1463 O LEU A 93 -3.270 -13.503 9.398 1.00 1.63 O ATOM 1464 CB LEU A 93 -0.777 -13.331 6.944 1.00 1.62 C ATOM 1465 CG LEU A 93 -1.678 -12.427 6.067 1.00 1.35 C ATOM 1466 CD1 LEU A 93 -2.130 -11.155 6.799 1.00 2.72 C ATOM 1467 CD2 LEU A 93 -0.930 -12.018 4.789 1.00 1.51 C ATOM 0 H LEU A 93 -3.418 -14.752 7.323 1.00 1.27 H new ATOM 0 HA LEU A 93 -0.693 -14.913 8.360 1.00 1.32 H new ATOM 0 HB2 LEU A 93 -0.099 -12.688 7.504 1.00 1.62 H new ATOM 0 HB3 LEU A 93 -0.163 -13.940 6.280 1.00 1.62 H new ATOM 0 HG LEU A 93 -2.565 -13.012 5.825 1.00 1.35 H new ATOM 0 HD11 LEU A 93 -2.759 -10.559 6.138 1.00 2.72 H new ATOM 0 HD12 LEU A 93 -2.697 -11.429 7.689 1.00 2.72 H new ATOM 0 HD13 LEU A 93 -1.256 -10.573 7.091 1.00 2.72 H new ATOM 0 HD21 LEU A 93 -1.572 -11.383 4.179 1.00 1.51 H new ATOM 0 HD22 LEU A 93 -0.026 -11.471 5.056 1.00 1.51 H new ATOM 0 HD23 LEU A 93 -0.660 -12.910 4.224 1.00 1.51 H new ATOM 1479 N LYS A 94 -1.158 -13.207 10.102 1.00 1.34 N ATOM 1480 CA LYS A 94 -1.414 -12.809 11.497 1.00 1.52 C ATOM 1481 C LYS A 94 -0.173 -12.167 12.130 1.00 1.22 C ATOM 1482 O LYS A 94 0.907 -12.194 11.545 1.00 1.62 O ATOM 1483 CB LYS A 94 -1.951 -14.008 12.329 1.00 2.16 C ATOM 1484 CG LYS A 94 -1.381 -15.416 12.041 1.00 1.90 C ATOM 1485 CD LYS A 94 0.147 -15.583 12.004 1.00 2.16 C ATOM 1486 CE LYS A 94 0.812 -15.599 13.385 1.00 3.83 C ATOM 1487 NZ LYS A 94 2.285 -15.458 13.270 1.00 4.74 N ATOM 0 H LYS A 94 -0.168 -13.144 9.864 1.00 1.34 H new ATOM 0 HA LYS A 94 -2.194 -12.047 11.496 1.00 1.52 H new ATOM 0 HB2 LYS A 94 -1.775 -13.787 13.382 1.00 2.16 H new ATOM 0 HB3 LYS A 94 -3.031 -14.052 12.189 1.00 2.16 H new ATOM 0 HG2 LYS A 94 -1.773 -16.096 12.797 1.00 1.90 H new ATOM 0 HG3 LYS A 94 -1.776 -15.746 11.080 1.00 1.90 H new ATOM 0 HD2 LYS A 94 0.387 -16.512 11.487 1.00 2.16 H new ATOM 0 HD3 LYS A 94 0.576 -14.771 11.416 1.00 2.16 H new ATOM 0 HE2 LYS A 94 0.412 -14.788 13.994 1.00 3.83 H new ATOM 0 HE3 LYS A 94 0.572 -16.531 13.897 1.00 3.83 H new ATOM 0 HZ1 LYS A 94 2.750 -16.192 13.842 1.00 4.74 H new ATOM 0 HZ2 LYS A 94 2.567 -15.565 12.275 1.00 4.74 H new ATOM 0 HZ3 LYS A 94 2.572 -14.519 13.612 1.00 4.74 H new ATOM 1501 N ALA A 95 -0.307 -11.650 13.347 1.00 1.26 N ATOM 1502 CA ALA A 95 0.747 -10.961 14.059 1.00 1.24 C ATOM 1503 C ALA A 95 2.002 -11.816 14.235 1.00 1.10 C ATOM 1504 O ALA A 95 1.941 -13.011 14.532 1.00 1.11 O ATOM 1505 CB ALA A 95 0.178 -10.478 15.391 1.00 1.45 C ATOM 0 H ALA A 95 -1.179 -11.704 13.874 1.00 1.26 H new ATOM 0 HA ALA A 95 1.080 -10.106 13.470 1.00 1.24 H new ATOM 0 HB1 ALA A 95 0.954 -9.954 15.949 1.00 1.45 H new ATOM 0 HB2 ALA A 95 -0.656 -9.801 15.206 1.00 1.45 H new ATOM 0 HB3 ALA A 95 -0.170 -11.334 15.970 1.00 1.45 H new ATOM 1511 N GLY A 96 3.145 -11.186 13.989 1.00 1.11 N ATOM 1512 CA GLY A 96 4.462 -11.824 14.035 1.00 1.13 C ATOM 1513 C GLY A 96 4.752 -12.709 12.821 1.00 1.15 C ATOM 1514 O GLY A 96 5.297 -13.796 12.988 1.00 1.58 O ATOM 0 H GLY A 96 3.186 -10.196 13.746 1.00 1.11 H new ATOM 0 HA2 GLY A 96 5.229 -11.052 14.104 1.00 1.13 H new ATOM 0 HA3 GLY A 96 4.534 -12.427 14.940 1.00 1.13 H new ATOM 1518 N GLU A 97 4.365 -12.267 11.622 1.00 1.04 N ATOM 1519 CA GLU A 97 4.941 -12.712 10.345 1.00 1.05 C ATOM 1520 C GLU A 97 5.675 -11.529 9.687 1.00 0.95 C ATOM 1521 O GLU A 97 5.539 -10.386 10.135 1.00 0.89 O ATOM 1522 CB GLU A 97 3.856 -13.159 9.354 1.00 1.08 C ATOM 1523 CG GLU A 97 2.792 -14.124 9.858 1.00 1.34 C ATOM 1524 CD GLU A 97 3.198 -15.585 9.782 1.00 1.52 C ATOM 1525 OE1 GLU A 97 3.456 -16.058 8.652 1.00 2.03 O ATOM 1526 OE2 GLU A 97 3.159 -16.230 10.848 1.00 2.76 O ATOM 0 H GLU A 97 3.626 -11.574 11.506 1.00 1.04 H new ATOM 0 HA GLU A 97 5.607 -13.547 10.563 1.00 1.05 H new ATOM 0 HB2 GLU A 97 3.351 -12.266 8.984 1.00 1.08 H new ATOM 0 HB3 GLU A 97 4.351 -13.622 8.500 1.00 1.08 H new ATOM 0 HG2 GLU A 97 2.553 -13.877 10.892 1.00 1.34 H new ATOM 0 HG3 GLU A 97 1.881 -13.980 9.277 1.00 1.34 H new ATOM 1533 N GLU A 98 6.321 -11.790 8.549 1.00 0.98 N ATOM 1534 CA GLU A 98 6.713 -10.816 7.564 1.00 0.91 C ATOM 1535 C GLU A 98 6.057 -11.226 6.234 1.00 1.08 C ATOM 1536 O GLU A 98 5.555 -12.345 6.051 1.00 1.49 O ATOM 1537 CB GLU A 98 8.246 -10.728 7.436 1.00 1.00 C ATOM 1538 CG GLU A 98 8.908 -10.175 8.706 1.00 1.82 C ATOM 1539 CD GLU A 98 10.388 -9.893 8.461 1.00 2.10 C ATOM 1540 OE1 GLU A 98 10.661 -8.851 7.826 1.00 2.94 O ATOM 1541 OE2 GLU A 98 11.217 -10.721 8.896 1.00 2.72 O ATOM 0 H GLU A 98 6.592 -12.738 8.289 1.00 0.98 H new ATOM 0 HA GLU A 98 6.380 -9.821 7.860 1.00 0.91 H new ATOM 0 HB2 GLU A 98 8.648 -11.718 7.222 1.00 1.00 H new ATOM 0 HB3 GLU A 98 8.501 -10.091 6.589 1.00 1.00 H new ATOM 0 HG2 GLU A 98 8.404 -9.259 9.016 1.00 1.82 H new ATOM 0 HG3 GLU A 98 8.799 -10.891 9.521 1.00 1.82 H new ATOM 1548 N VAL A 99 6.060 -10.259 5.337 1.00 0.84 N ATOM 1549 CA VAL A 99 5.526 -10.223 3.966 1.00 0.92 C ATOM 1550 C VAL A 99 6.395 -9.278 3.112 1.00 0.73 C ATOM 1551 O VAL A 99 7.030 -8.359 3.631 1.00 0.77 O ATOM 1552 CB VAL A 99 4.037 -9.773 3.969 1.00 1.16 C ATOM 1553 CG1 VAL A 99 3.486 -9.450 2.571 1.00 1.65 C ATOM 1554 CG2 VAL A 99 3.117 -10.847 4.587 1.00 1.25 C ATOM 0 H VAL A 99 6.488 -9.363 5.570 1.00 0.84 H new ATOM 0 HA VAL A 99 5.561 -11.223 3.534 1.00 0.92 H new ATOM 0 HB VAL A 99 4.034 -8.863 4.569 1.00 1.16 H new ATOM 0 HG11 VAL A 99 2.443 -9.144 2.653 1.00 1.65 H new ATOM 0 HG12 VAL A 99 4.068 -8.642 2.128 1.00 1.65 H new ATOM 0 HG13 VAL A 99 3.556 -10.335 1.939 1.00 1.65 H new ATOM 0 HG21 VAL A 99 2.085 -10.495 4.571 1.00 1.25 H new ATOM 0 HG22 VAL A 99 3.195 -11.769 4.010 1.00 1.25 H new ATOM 0 HG23 VAL A 99 3.420 -11.037 5.617 1.00 1.25 H new ATOM 1564 N GLU A 100 6.413 -9.496 1.795 1.00 0.91 N ATOM 1565 CA GLU A 100 7.161 -8.704 0.814 1.00 0.77 C ATOM 1566 C GLU A 100 6.225 -8.108 -0.252 1.00 0.66 C ATOM 1567 O GLU A 100 5.333 -8.805 -0.755 1.00 0.62 O ATOM 1568 CB GLU A 100 8.200 -9.616 0.142 1.00 0.90 C ATOM 1569 CG GLU A 100 9.192 -8.826 -0.716 1.00 2.18 C ATOM 1570 CD GLU A 100 10.027 -9.755 -1.583 1.00 1.99 C ATOM 1571 OE1 GLU A 100 9.492 -10.305 -2.568 1.00 2.40 O ATOM 1572 OE2 GLU A 100 11.263 -9.803 -1.405 1.00 2.94 O ATOM 0 H GLU A 100 5.887 -10.258 1.366 1.00 0.91 H new ATOM 0 HA GLU A 100 7.652 -7.876 1.325 1.00 0.77 H new ATOM 0 HB2 GLU A 100 8.744 -10.170 0.907 1.00 0.90 H new ATOM 0 HB3 GLU A 100 7.688 -10.351 -0.480 1.00 0.90 H new ATOM 0 HG2 GLU A 100 8.651 -8.122 -1.348 1.00 2.18 H new ATOM 0 HG3 GLU A 100 9.846 -8.238 -0.072 1.00 2.18 H new ATOM 1579 N LEU A 101 6.464 -6.841 -0.625 1.00 0.71 N ATOM 1580 CA LEU A 101 5.900 -6.196 -1.820 1.00 0.58 C ATOM 1581 C LEU A 101 7.014 -5.627 -2.716 1.00 0.58 C ATOM 1582 O LEU A 101 7.919 -4.936 -2.244 1.00 0.80 O ATOM 1583 CB LEU A 101 4.915 -5.061 -1.443 1.00 0.68 C ATOM 1584 CG LEU A 101 3.442 -5.493 -1.282 1.00 0.85 C ATOM 1585 CD1 LEU A 101 3.140 -6.205 0.045 1.00 1.42 C ATOM 1586 CD2 LEU A 101 2.512 -4.278 -1.355 1.00 1.85 C ATOM 0 H LEU A 101 7.071 -6.221 -0.089 1.00 0.71 H new ATOM 0 HA LEU A 101 5.354 -6.964 -2.368 1.00 0.58 H new ATOM 0 HB2 LEU A 101 5.248 -4.609 -0.509 1.00 0.68 H new ATOM 0 HB3 LEU A 101 4.968 -4.287 -2.209 1.00 0.68 H new ATOM 0 HG LEU A 101 3.269 -6.193 -2.100 1.00 0.85 H new ATOM 0 HD11 LEU A 101 2.085 -6.476 0.081 1.00 1.42 H new ATOM 0 HD12 LEU A 101 3.749 -7.106 0.121 1.00 1.42 H new ATOM 0 HD13 LEU A 101 3.372 -5.539 0.876 1.00 1.42 H new ATOM 0 HD21 LEU A 101 1.478 -4.604 -1.239 1.00 1.85 H new ATOM 0 HD22 LEU A 101 2.764 -3.579 -0.558 1.00 1.85 H new ATOM 0 HD23 LEU A 101 2.632 -3.786 -2.320 1.00 1.85 H new ATOM 1598 N ASP A 102 6.868 -5.832 -4.023 1.00 0.55 N ATOM 1599 CA ASP A 102 7.452 -5.022 -5.100 1.00 0.66 C ATOM 1600 C ASP A 102 6.511 -3.852 -5.451 1.00 0.55 C ATOM 1601 O ASP A 102 5.304 -4.040 -5.588 1.00 0.65 O ATOM 1602 CB ASP A 102 7.591 -5.866 -6.373 1.00 0.89 C ATOM 1603 CG ASP A 102 8.670 -6.945 -6.370 1.00 1.27 C ATOM 1604 OD1 ASP A 102 9.854 -6.648 -6.625 1.00 2.43 O ATOM 1605 OD2 ASP A 102 8.290 -8.135 -6.361 1.00 1.48 O ATOM 0 H ASP A 102 6.311 -6.607 -4.383 1.00 0.55 H new ATOM 0 HA ASP A 102 8.421 -4.660 -4.757 1.00 0.66 H new ATOM 0 HB2 ASP A 102 6.632 -6.346 -6.569 1.00 0.89 H new ATOM 0 HB3 ASP A 102 7.787 -5.192 -7.207 1.00 0.89 H new ATOM 1610 N LEU A 103 7.070 -2.663 -5.676 1.00 0.56 N ATOM 1611 CA LEU A 103 6.423 -1.498 -6.271 1.00 0.52 C ATOM 1612 C LEU A 103 6.700 -1.475 -7.782 1.00 0.45 C ATOM 1613 O LEU A 103 7.834 -1.683 -8.220 1.00 0.55 O ATOM 1614 CB LEU A 103 6.996 -0.216 -5.637 1.00 0.74 C ATOM 1615 CG LEU A 103 6.540 0.092 -4.200 1.00 0.97 C ATOM 1616 CD1 LEU A 103 6.981 -0.941 -3.159 1.00 1.10 C ATOM 1617 CD2 LEU A 103 7.092 1.463 -3.789 1.00 1.27 C ATOM 0 H LEU A 103 8.043 -2.479 -5.433 1.00 0.56 H new ATOM 0 HA LEU A 103 5.349 -1.551 -6.094 1.00 0.52 H new ATOM 0 HB2 LEU A 103 8.084 -0.287 -5.644 1.00 0.74 H new ATOM 0 HB3 LEU A 103 6.728 0.629 -6.271 1.00 0.74 H new ATOM 0 HG LEU A 103 5.450 0.070 -4.216 1.00 0.97 H new ATOM 0 HD11 LEU A 103 6.616 -0.645 -2.175 1.00 1.10 H new ATOM 0 HD12 LEU A 103 6.572 -1.917 -3.419 1.00 1.10 H new ATOM 0 HD13 LEU A 103 8.069 -0.997 -3.141 1.00 1.10 H new ATOM 0 HD21 LEU A 103 6.775 1.693 -2.772 1.00 1.27 H new ATOM 0 HD22 LEU A 103 8.181 1.445 -3.835 1.00 1.27 H new ATOM 0 HD23 LEU A 103 6.713 2.226 -4.468 1.00 1.27 H new ATOM 1629 N LEU A 104 5.670 -1.180 -8.575 1.00 0.42 N ATOM 1630 CA LEU A 104 5.726 -1.038 -10.027 1.00 0.43 C ATOM 1631 C LEU A 104 5.604 0.444 -10.402 1.00 0.50 C ATOM 1632 O LEU A 104 4.600 1.108 -10.107 1.00 0.47 O ATOM 1633 CB LEU A 104 4.602 -1.879 -10.663 1.00 0.44 C ATOM 1634 CG LEU A 104 4.578 -3.372 -10.266 1.00 0.44 C ATOM 1635 CD1 LEU A 104 3.423 -4.072 -10.996 1.00 0.64 C ATOM 1636 CD2 LEU A 104 5.893 -4.104 -10.576 1.00 0.52 C ATOM 0 H LEU A 104 4.732 -1.027 -8.204 1.00 0.42 H new ATOM 0 HA LEU A 104 6.680 -1.402 -10.407 1.00 0.43 H new ATOM 0 HB2 LEU A 104 3.644 -1.435 -10.394 1.00 0.44 H new ATOM 0 HB3 LEU A 104 4.691 -1.811 -11.747 1.00 0.44 H new ATOM 0 HG LEU A 104 4.440 -3.411 -9.185 1.00 0.44 H new ATOM 0 HD11 LEU A 104 3.403 -5.126 -10.718 1.00 0.64 H new ATOM 0 HD12 LEU A 104 2.479 -3.605 -10.716 1.00 0.64 H new ATOM 0 HD13 LEU A 104 3.566 -3.983 -12.073 1.00 0.64 H new ATOM 0 HD21 LEU A 104 5.809 -5.148 -10.273 1.00 0.52 H new ATOM 0 HD22 LEU A 104 6.095 -4.052 -11.646 1.00 0.52 H new ATOM 0 HD23 LEU A 104 6.710 -3.632 -10.029 1.00 0.52 H new ATOM 1648 N PHE A 105 6.637 0.977 -11.047 1.00 0.63 N ATOM 1649 CA PHE A 105 6.751 2.390 -11.412 1.00 0.70 C ATOM 1650 C PHE A 105 6.615 2.580 -12.929 1.00 0.76 C ATOM 1651 O PHE A 105 6.947 1.695 -13.722 1.00 1.09 O ATOM 1652 CB PHE A 105 8.132 2.876 -10.966 1.00 0.81 C ATOM 1653 CG PHE A 105 8.349 2.891 -9.470 1.00 0.79 C ATOM 1654 CD1 PHE A 105 7.893 3.993 -8.730 1.00 1.86 C ATOM 1655 CD2 PHE A 105 9.003 1.827 -8.812 1.00 1.99 C ATOM 1656 CE1 PHE A 105 8.090 4.042 -7.347 1.00 1.89 C ATOM 1657 CE2 PHE A 105 9.184 1.874 -7.419 1.00 1.98 C ATOM 1658 CZ PHE A 105 8.739 2.988 -6.686 1.00 0.84 C ATOM 0 H PHE A 105 7.443 0.424 -11.340 1.00 0.63 H new ATOM 0 HA PHE A 105 5.955 2.956 -10.928 1.00 0.70 H new ATOM 0 HB2 PHE A 105 8.890 2.239 -11.422 1.00 0.81 H new ATOM 0 HB3 PHE A 105 8.288 3.884 -11.351 1.00 0.81 H new ATOM 0 HD1 PHE A 105 7.388 4.806 -9.231 1.00 1.86 H new ATOM 0 HD2 PHE A 105 9.363 0.980 -9.377 1.00 1.99 H new ATOM 0 HE1 PHE A 105 7.741 4.895 -6.784 1.00 1.89 H new ATOM 0 HE2 PHE A 105 9.666 1.052 -6.910 1.00 1.98 H new ATOM 0 HZ PHE A 105 8.896 3.032 -5.618 1.00 0.84 H new ATOM 1668 N ALA A 106 6.215 3.782 -13.353 1.00 0.67 N ATOM 1669 CA ALA A 106 6.354 4.194 -14.749 1.00 0.75 C ATOM 1670 C ALA A 106 7.846 4.297 -15.144 1.00 1.57 C ATOM 1671 O ALA A 106 8.670 4.760 -14.347 1.00 2.35 O ATOM 1672 CB ALA A 106 5.609 5.518 -14.963 1.00 1.17 C ATOM 0 H ALA A 106 5.792 4.486 -12.748 1.00 0.67 H new ATOM 0 HA ALA A 106 5.908 3.442 -15.399 1.00 0.75 H new ATOM 0 HB1 ALA A 106 5.710 5.829 -16.003 1.00 1.17 H new ATOM 0 HB2 ALA A 106 4.554 5.384 -14.725 1.00 1.17 H new ATOM 0 HB3 ALA A 106 6.033 6.283 -14.313 1.00 1.17 H new ATOM 1678 N GLY A 107 8.198 3.890 -16.373 1.00 2.53 N ATOM 1679 CA GLY A 107 9.564 4.010 -16.904 1.00 3.59 C ATOM 1680 C GLY A 107 10.502 2.854 -16.542 1.00 3.16 C ATOM 1681 O GLY A 107 11.683 3.095 -16.308 1.00 4.18 O ATOM 0 H GLY A 107 7.541 3.467 -17.029 1.00 2.53 H new ATOM 0 HA2 GLY A 107 9.510 4.088 -17.990 1.00 3.59 H new ATOM 0 HA3 GLY A 107 10.000 4.940 -16.539 1.00 3.59 H new ATOM 1685 N GLY A 108 9.988 1.617 -16.475 1.00 1.88 N ATOM 1686 CA GLY A 108 10.803 0.389 -16.400 1.00 1.74 C ATOM 1687 C GLY A 108 11.439 0.100 -15.036 1.00 1.46 C ATOM 1688 O GLY A 108 12.252 -0.810 -14.914 1.00 1.70 O ATOM 0 H GLY A 108 8.984 1.436 -16.471 1.00 1.88 H new ATOM 0 HA2 GLY A 108 10.176 -0.459 -16.676 1.00 1.74 H new ATOM 0 HA3 GLY A 108 11.596 0.455 -17.144 1.00 1.74 H new ATOM 1692 N LYS A 109 11.093 0.872 -14.007 1.00 1.20 N ATOM 1693 CA LYS A 109 11.607 0.699 -12.645 1.00 1.00 C ATOM 1694 C LYS A 109 10.721 -0.261 -11.832 1.00 0.78 C ATOM 1695 O LYS A 109 9.498 -0.135 -11.829 1.00 0.80 O ATOM 1696 CB LYS A 109 11.692 2.076 -11.969 1.00 0.96 C ATOM 1697 CG LYS A 109 12.822 2.951 -12.522 1.00 1.34 C ATOM 1698 CD LYS A 109 12.485 4.435 -12.291 1.00 1.48 C ATOM 1699 CE LYS A 109 13.519 5.366 -12.933 1.00 2.18 C ATOM 1700 NZ LYS A 109 13.106 6.790 -12.828 1.00 3.20 N ATOM 0 H LYS A 109 10.437 1.648 -14.095 1.00 1.20 H new ATOM 0 HA LYS A 109 12.601 0.254 -12.690 1.00 1.00 H new ATOM 0 HB2 LYS A 109 10.743 2.596 -12.097 1.00 0.96 H new ATOM 0 HB3 LYS A 109 11.838 1.939 -10.898 1.00 0.96 H new ATOM 0 HG2 LYS A 109 13.763 2.701 -12.032 1.00 1.34 H new ATOM 0 HG3 LYS A 109 12.956 2.759 -13.587 1.00 1.34 H new ATOM 0 HD2 LYS A 109 11.499 4.651 -12.702 1.00 1.48 H new ATOM 0 HD3 LYS A 109 12.435 4.633 -11.220 1.00 1.48 H new ATOM 0 HE2 LYS A 109 14.485 5.229 -12.447 1.00 2.18 H new ATOM 0 HE3 LYS A 109 13.649 5.100 -13.982 1.00 2.18 H new ATOM 0 HZ1 LYS A 109 13.827 7.394 -13.272 1.00 3.20 H new ATOM 0 HZ2 LYS A 109 12.196 6.924 -13.313 1.00 3.20 H new ATOM 0 HZ3 LYS A 109 13.006 7.049 -11.826 1.00 3.20 H new ATOM 1714 N VAL A 110 11.363 -1.149 -11.079 1.00 0.87 N ATOM 1715 CA VAL A 110 10.740 -2.034 -10.077 1.00 0.75 C ATOM 1716 C VAL A 110 11.671 -2.110 -8.867 1.00 0.73 C ATOM 1717 O VAL A 110 12.870 -2.317 -9.048 1.00 0.81 O ATOM 1718 CB VAL A 110 10.463 -3.456 -10.635 1.00 0.78 C ATOM 1719 CG1 VAL A 110 9.875 -4.402 -9.572 1.00 1.72 C ATOM 1720 CG2 VAL A 110 9.507 -3.425 -11.840 1.00 1.87 C ATOM 0 H VAL A 110 12.372 -1.284 -11.146 1.00 0.87 H new ATOM 0 HA VAL A 110 9.772 -1.619 -9.796 1.00 0.75 H new ATOM 0 HB VAL A 110 11.435 -3.835 -10.949 1.00 0.78 H new ATOM 0 HG11 VAL A 110 9.700 -5.383 -10.014 1.00 1.72 H new ATOM 0 HG12 VAL A 110 10.576 -4.498 -8.743 1.00 1.72 H new ATOM 0 HG13 VAL A 110 8.932 -3.996 -9.205 1.00 1.72 H new ATOM 0 HG21 VAL A 110 9.341 -4.441 -12.199 1.00 1.87 H new ATOM 0 HG22 VAL A 110 8.556 -2.986 -11.539 1.00 1.87 H new ATOM 0 HG23 VAL A 110 9.946 -2.826 -12.638 1.00 1.87 H new ATOM 1730 N LEU A 111 11.125 -1.925 -7.660 1.00 0.76 N ATOM 1731 CA LEU A 111 11.860 -1.843 -6.386 1.00 0.85 C ATOM 1732 C LEU A 111 10.986 -2.407 -5.264 1.00 1.04 C ATOM 1733 O LEU A 111 9.780 -2.194 -5.296 1.00 1.15 O ATOM 1734 CB LEU A 111 12.189 -0.362 -6.075 1.00 0.94 C ATOM 1735 CG LEU A 111 13.675 -0.003 -5.900 1.00 1.49 C ATOM 1736 CD1 LEU A 111 14.369 -0.840 -4.816 1.00 1.97 C ATOM 1737 CD2 LEU A 111 14.418 -0.103 -7.238 1.00 3.52 C ATOM 0 H LEU A 111 10.118 -1.824 -7.535 1.00 0.76 H new ATOM 0 HA LEU A 111 12.784 -2.416 -6.461 1.00 0.85 H new ATOM 0 HB2 LEU A 111 11.784 0.252 -6.879 1.00 0.94 H new ATOM 0 HB3 LEU A 111 11.662 -0.081 -5.163 1.00 0.94 H new ATOM 0 HG LEU A 111 13.711 1.031 -5.557 1.00 1.49 H new ATOM 0 HD11 LEU A 111 15.414 -0.541 -4.739 1.00 1.97 H new ATOM 0 HD12 LEU A 111 13.874 -0.678 -3.859 1.00 1.97 H new ATOM 0 HD13 LEU A 111 14.312 -1.896 -5.080 1.00 1.97 H new ATOM 0 HD21 LEU A 111 15.467 0.155 -7.092 1.00 3.52 H new ATOM 0 HD22 LEU A 111 14.344 -1.121 -7.620 1.00 3.52 H new ATOM 0 HD23 LEU A 111 13.971 0.586 -7.955 1.00 3.52 H new ATOM 1749 N LYS A 112 11.550 -3.104 -4.273 1.00 1.39 N ATOM 1750 CA LYS A 112 10.760 -3.809 -3.250 1.00 1.55 C ATOM 1751 C LYS A 112 11.009 -3.360 -1.806 1.00 1.64 C ATOM 1752 O LYS A 112 12.098 -2.926 -1.440 1.00 1.88 O ATOM 1753 CB LYS A 112 10.911 -5.331 -3.406 1.00 1.70 C ATOM 1754 CG LYS A 112 12.366 -5.816 -3.440 1.00 2.28 C ATOM 1755 CD LYS A 112 12.473 -7.343 -3.351 1.00 2.31 C ATOM 1756 CE LYS A 112 11.547 -8.071 -4.336 1.00 1.99 C ATOM 1757 NZ LYS A 112 11.583 -9.534 -4.126 1.00 2.03 N ATOM 0 H LYS A 112 12.559 -3.197 -4.154 1.00 1.39 H new ATOM 0 HA LYS A 112 9.725 -3.526 -3.439 1.00 1.55 H new ATOM 0 HB2 LYS A 112 10.395 -5.823 -2.582 1.00 1.70 H new ATOM 0 HB3 LYS A 112 10.414 -5.642 -4.325 1.00 1.70 H new ATOM 0 HG2 LYS A 112 12.839 -5.474 -4.360 1.00 2.28 H new ATOM 0 HG3 LYS A 112 12.916 -5.367 -2.613 1.00 2.28 H new ATOM 0 HD2 LYS A 112 13.504 -7.641 -3.543 1.00 2.31 H new ATOM 0 HD3 LYS A 112 12.234 -7.659 -2.336 1.00 2.31 H new ATOM 0 HE2 LYS A 112 10.526 -7.709 -4.214 1.00 1.99 H new ATOM 0 HE3 LYS A 112 11.847 -7.841 -5.358 1.00 1.99 H new ATOM 0 HZ1 LYS A 112 12.080 -9.986 -4.919 1.00 2.03 H new ATOM 0 HZ2 LYS A 112 12.082 -9.745 -3.239 1.00 2.03 H new ATOM 0 HZ3 LYS A 112 10.611 -9.901 -4.072 1.00 2.03 H new ATOM 1771 N VAL A 113 9.966 -3.523 -0.996 1.00 1.51 N ATOM 1772 CA VAL A 113 9.823 -3.079 0.397 1.00 1.77 C ATOM 1773 C VAL A 113 9.511 -4.265 1.318 1.00 1.59 C ATOM 1774 O VAL A 113 8.926 -5.258 0.885 1.00 1.40 O ATOM 1775 CB VAL A 113 8.705 -2.017 0.532 1.00 1.91 C ATOM 1776 CG1 VAL A 113 9.140 -0.677 -0.081 1.00 2.78 C ATOM 1777 CG2 VAL A 113 7.370 -2.464 -0.072 1.00 3.03 C ATOM 0 H VAL A 113 9.129 -4.008 -1.319 1.00 1.51 H new ATOM 0 HA VAL A 113 10.772 -2.633 0.695 1.00 1.77 H new ATOM 0 HB VAL A 113 8.542 -1.889 1.602 1.00 1.91 H new ATOM 0 HG11 VAL A 113 8.336 0.051 0.028 1.00 2.78 H new ATOM 0 HG12 VAL A 113 10.030 -0.314 0.433 1.00 2.78 H new ATOM 0 HG13 VAL A 113 9.363 -0.816 -1.139 1.00 2.78 H new ATOM 0 HG21 VAL A 113 6.630 -1.674 0.056 1.00 3.03 H new ATOM 0 HG22 VAL A 113 7.502 -2.669 -1.134 1.00 3.03 H new ATOM 0 HG23 VAL A 113 7.027 -3.368 0.432 1.00 3.03 H new ATOM 1787 N VAL A 114 9.899 -4.127 2.587 1.00 1.76 N ATOM 1788 CA VAL A 114 9.777 -5.144 3.649 1.00 1.65 C ATOM 1789 C VAL A 114 8.650 -4.750 4.612 1.00 1.48 C ATOM 1790 O VAL A 114 8.524 -3.569 4.938 1.00 1.96 O ATOM 1791 CB VAL A 114 11.115 -5.278 4.414 1.00 2.44 C ATOM 1792 CG1 VAL A 114 11.031 -6.263 5.591 1.00 2.44 C ATOM 1793 CG2 VAL A 114 12.247 -5.721 3.469 1.00 3.02 C ATOM 0 H VAL A 114 10.328 -3.265 2.925 1.00 1.76 H new ATOM 0 HA VAL A 114 9.539 -6.107 3.198 1.00 1.65 H new ATOM 0 HB VAL A 114 11.332 -4.288 4.817 1.00 2.44 H new ATOM 0 HG11 VAL A 114 11.998 -6.316 6.090 1.00 2.44 H new ATOM 0 HG12 VAL A 114 10.276 -5.921 6.299 1.00 2.44 H new ATOM 0 HG13 VAL A 114 10.759 -7.251 5.220 1.00 2.44 H new ATOM 0 HG21 VAL A 114 13.177 -5.808 4.031 1.00 3.02 H new ATOM 0 HG22 VAL A 114 11.997 -6.687 3.029 1.00 3.02 H new ATOM 0 HG23 VAL A 114 12.369 -4.983 2.677 1.00 3.02 H new ATOM 1803 N LEU A 115 7.834 -5.723 5.046 1.00 1.04 N ATOM 1804 CA LEU A 115 6.627 -5.496 5.850 1.00 1.09 C ATOM 1805 C LEU A 115 6.452 -6.588 6.934 1.00 0.86 C ATOM 1806 O LEU A 115 6.345 -7.765 6.576 1.00 0.82 O ATOM 1807 CB LEU A 115 5.373 -5.494 4.938 1.00 1.38 C ATOM 1808 CG LEU A 115 5.437 -4.588 3.686 1.00 1.14 C ATOM 1809 CD1 LEU A 115 5.872 -5.407 2.459 1.00 2.45 C ATOM 1810 CD2 LEU A 115 4.081 -3.943 3.373 1.00 2.67 C ATOM 0 H LEU A 115 8.000 -6.709 4.843 1.00 1.04 H new ATOM 0 HA LEU A 115 6.739 -4.529 6.341 1.00 1.09 H new ATOM 0 HB2 LEU A 115 5.186 -6.517 4.611 1.00 1.38 H new ATOM 0 HB3 LEU A 115 4.515 -5.189 5.537 1.00 1.38 H new ATOM 0 HG LEU A 115 6.161 -3.802 3.903 1.00 1.14 H new ATOM 0 HD11 LEU A 115 5.913 -4.758 1.584 1.00 2.45 H new ATOM 0 HD12 LEU A 115 6.858 -5.836 2.639 1.00 2.45 H new ATOM 0 HD13 LEU A 115 5.154 -6.208 2.283 1.00 2.45 H new ATOM 0 HD21 LEU A 115 4.173 -3.316 2.486 1.00 2.67 H new ATOM 0 HD22 LEU A 115 3.341 -4.722 3.191 1.00 2.67 H new ATOM 0 HD23 LEU A 115 3.765 -3.332 4.219 1.00 2.67 H new ATOM 1822 N PRO A 116 6.314 -6.241 8.227 1.00 0.90 N ATOM 1823 CA PRO A 116 5.785 -7.149 9.235 1.00 0.86 C ATOM 1824 C PRO A 116 4.251 -7.240 9.137 1.00 0.87 C ATOM 1825 O PRO A 116 3.601 -6.417 8.476 1.00 0.86 O ATOM 1826 CB PRO A 116 6.245 -6.571 10.576 1.00 0.93 C ATOM 1827 CG PRO A 116 6.235 -5.067 10.312 1.00 1.05 C ATOM 1828 CD PRO A 116 6.622 -4.955 8.836 1.00 1.13 C ATOM 0 HA PRO A 116 6.145 -8.170 9.105 1.00 0.86 H new ATOM 0 HB2 PRO A 116 5.571 -6.844 11.388 1.00 0.93 H new ATOM 0 HB3 PRO A 116 7.237 -6.927 10.852 1.00 0.93 H new ATOM 0 HG2 PRO A 116 5.253 -4.634 10.502 1.00 1.05 H new ATOM 0 HG3 PRO A 116 6.944 -4.543 10.953 1.00 1.05 H new ATOM 0 HD2 PRO A 116 6.067 -4.153 8.350 1.00 1.13 H new ATOM 0 HD3 PRO A 116 7.681 -4.720 8.730 1.00 1.13 H new ATOM 1836 N VAL A 117 3.686 -8.235 9.825 1.00 0.95 N ATOM 1837 CA VAL A 117 2.229 -8.441 9.973 1.00 0.96 C ATOM 1838 C VAL A 117 1.812 -8.300 11.446 1.00 1.06 C ATOM 1839 O VAL A 117 2.595 -8.635 12.337 1.00 0.97 O ATOM 1840 CB VAL A 117 1.810 -9.826 9.441 1.00 0.89 C ATOM 1841 CG1 VAL A 117 0.286 -10.009 9.362 1.00 0.94 C ATOM 1842 CG2 VAL A 117 2.340 -10.066 8.013 1.00 0.86 C ATOM 0 H VAL A 117 4.237 -8.943 10.310 1.00 0.95 H new ATOM 0 HA VAL A 117 1.722 -7.676 9.385 1.00 0.96 H new ATOM 0 HB VAL A 117 2.235 -10.531 10.156 1.00 0.89 H new ATOM 0 HG11 VAL A 117 0.058 -11.004 8.980 1.00 0.94 H new ATOM 0 HG12 VAL A 117 -0.146 -9.894 10.356 1.00 0.94 H new ATOM 0 HG13 VAL A 117 -0.136 -9.259 8.694 1.00 0.94 H new ATOM 0 HG21 VAL A 117 2.026 -11.052 7.669 1.00 0.86 H new ATOM 0 HG22 VAL A 117 1.940 -9.304 7.344 1.00 0.86 H new ATOM 0 HG23 VAL A 117 3.429 -10.012 8.015 1.00 0.86 H new ATOM 1852 N GLU A 118 0.581 -7.837 11.689 1.00 1.49 N ATOM 1853 CA GLU A 118 -0.003 -7.556 13.008 1.00 1.66 C ATOM 1854 C GLU A 118 -1.452 -8.084 13.148 1.00 2.20 C ATOM 1855 O GLU A 118 -1.906 -8.883 12.330 1.00 3.23 O ATOM 1856 CB GLU A 118 0.149 -6.054 13.342 1.00 1.93 C ATOM 1857 CG GLU A 118 1.178 -5.848 14.468 1.00 2.40 C ATOM 1858 CD GLU A 118 0.823 -6.644 15.734 1.00 3.86 C ATOM 1859 OE1 GLU A 118 -0.381 -6.661 16.069 1.00 4.93 O ATOM 1860 OE2 GLU A 118 1.721 -7.318 16.276 1.00 4.60 O ATOM 0 H GLU A 118 -0.071 -7.637 10.931 1.00 1.49 H new ATOM 0 HA GLU A 118 0.556 -8.114 13.759 1.00 1.66 H new ATOM 0 HB2 GLU A 118 0.462 -5.508 12.452 1.00 1.93 H new ATOM 0 HB3 GLU A 118 -0.815 -5.644 13.644 1.00 1.93 H new ATOM 0 HG2 GLU A 118 2.164 -6.150 14.116 1.00 2.40 H new ATOM 0 HG3 GLU A 118 1.238 -4.788 14.713 1.00 2.40 H new ATOM 1867 N ALA A 119 -2.150 -7.760 14.244 1.00 1.92 N ATOM 1868 CA ALA A 119 -3.549 -8.106 14.515 1.00 2.36 C ATOM 1869 C ALA A 119 -4.397 -6.864 14.882 1.00 2.67 C ATOM 1870 O ALA A 119 -4.881 -6.722 16.006 1.00 3.09 O ATOM 1871 CB ALA A 119 -3.571 -9.192 15.600 1.00 2.46 C ATOM 0 H ALA A 119 -1.732 -7.222 15.003 1.00 1.92 H new ATOM 0 HA ALA A 119 -4.015 -8.500 13.612 1.00 2.36 H new ATOM 0 HB1 ALA A 119 -4.603 -9.466 15.819 1.00 2.46 H new ATOM 0 HB2 ALA A 119 -3.029 -10.070 15.247 1.00 2.46 H new ATOM 0 HB3 ALA A 119 -3.097 -8.812 16.505 1.00 2.46 H new ATOM 1877 N ARG A 120 -4.599 -5.950 13.916 1.00 2.78 N ATOM 1878 CA ARG A 120 -5.249 -4.640 14.131 1.00 3.20 C ATOM 1879 C ARG A 120 -5.910 -4.077 12.873 1.00 3.44 C ATOM 1880 O ARG A 120 -6.749 -3.157 12.999 1.00 3.89 O ATOM 1881 CB ARG A 120 -4.216 -3.684 14.766 1.00 3.38 C ATOM 1882 CG ARG A 120 -4.833 -2.459 15.459 1.00 4.23 C ATOM 1883 CD ARG A 120 -4.892 -1.207 14.567 1.00 4.64 C ATOM 1884 NE ARG A 120 -5.789 -0.181 15.131 1.00 5.96 N ATOM 1885 CZ ARG A 120 -7.109 -0.209 15.118 1.00 7.50 C ATOM 1886 NH1 ARG A 120 -7.805 -1.131 14.518 1.00 8.20 N ATOM 1887 NH2 ARG A 120 -7.772 0.725 15.738 1.00 8.84 N ATOM 1888 OXT ARG A 120 -5.603 -4.540 11.757 1.00 3.99 O ATOM 0 H ARG A 120 -4.312 -6.101 12.949 1.00 2.78 H new ATOM 0 HA ARG A 120 -6.085 -4.765 14.820 1.00 3.20 H new ATOM 0 HB2 ARG A 120 -3.624 -4.239 15.494 1.00 3.38 H new ATOM 0 HB3 ARG A 120 -3.530 -3.342 13.991 1.00 3.38 H new ATOM 0 HG2 ARG A 120 -5.842 -2.708 15.787 1.00 4.23 H new ATOM 0 HG3 ARG A 120 -4.255 -2.230 16.354 1.00 4.23 H new ATOM 0 HD2 ARG A 120 -3.890 -0.793 14.454 1.00 4.64 H new ATOM 0 HD3 ARG A 120 -5.237 -1.485 13.571 1.00 4.64 H new ATOM 0 HE ARG A 120 -5.348 0.626 15.573 1.00 5.96 H new ATOM 0 HH11 ARG A 120 -7.331 -1.886 14.022 1.00 8.20 H new ATOM 0 HH12 ARG A 120 -8.824 -1.098 14.544 1.00 8.20 H new ATOM 0 HH21 ARG A 120 -7.271 1.467 16.226 1.00 8.84 H new ATOM 0 HH22 ARG A 120 -8.792 0.714 15.735 1.00 8.84 H new TER 1902 ARG A 120 HETATM 1903 CU CU1 A 121 -8.981 -0.687 -0.067 1.00 0.53 CU