USER MOD reduce.3.24.130724 H: found=0, std=0, add=972, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 970 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 83 HIS : no HE2:sc= 0.248 K(o=0.048,f=-1.2) USER MOD Set 1.2: A 85 MET CE :methyl -151:sc= -0.201 (180deg=-0.551) USER MOD Set 2.1: A 48 THR OG1 : rot 62:sc= 1.16 USER MOD Set 2.2: A 61 MET CE :methyl -152:sc= 0 (180deg=-0.00856) USER MOD Single : A 1 GLY N :NH3+ -135:sc= 0.175 (180deg=0) USER MOD Single : A 2 SER OG : rot -163:sc= 1.34 USER MOD Single : A 4 THR OG1 : rot 146:sc= 1.34 USER MOD Single : A 11 SER OG : rot 37:sc= 0.221 USER MOD Single : A 15 ASN : amide:sc= 0.482 K(o=0.48,f=-3.3!) USER MOD Single : A 19 TYR OH : rot -144:sc= 1.22 USER MOD Single : A 21 THR OG1 : rot -132:sc= 0.956 USER MOD Single : A 24 ASN : amide:sc= 0.401 K(o=0.4,f=-4.2!) USER MOD Single : A 37 THR OG1 : rot 73:sc= 0.784 USER MOD Single : A 46 HIS : no HD1:sc= -2.02 K(o=-2,f=-3.2!) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -156:sc= 0.643 (180deg=-1.43!) USER MOD Single : A 57 LYS NZ :NH3+ -170:sc= -0.272 (180deg=-0.394!) USER MOD Single : A 59 MET CE :methyl 160:sc= -0.0183 (180deg=-0.296) USER MOD Single : A 72 LYS NZ :NH3+ -160:sc= -0.559! (180deg=-0.977!) USER MOD Single : A 78 LYS NZ :NH3+ 152:sc= 1.32 (180deg=1.19) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 1.18 (180deg=1.18) USER MOD Single : A 94 LYS NZ :NH3+ 147:sc= 1.8 (180deg=-1.56!) USER MOD Single : A 109 LYS NZ :NH3+ -122:sc= 0 (180deg=-0.907) USER MOD Single : A 112 LYS NZ :NH3+ 158:sc= 1.47 (180deg=-0.478!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.526 6.047 -3.937 1.00 11.77 N ATOM 2 CA GLY A 1 15.753 5.857 -2.694 1.00 11.80 C ATOM 3 C GLY A 1 16.043 4.472 -2.166 1.00 10.78 C ATOM 4 O GLY A 1 17.107 3.951 -2.467 1.00 10.70 O ATOM 0 H1 GLY A 1 16.979 6.983 -3.924 1.00 11.77 H new ATOM 0 H2 GLY A 1 17.256 5.310 -4.008 1.00 11.77 H new ATOM 0 H3 GLY A 1 15.888 5.982 -4.756 1.00 11.77 H new ATOM 0 HA2 GLY A 1 16.028 6.611 -1.956 1.00 11.80 H new ATOM 0 HA3 GLY A 1 14.687 5.975 -2.887 1.00 11.80 H new ATOM 10 N SER A 2 15.119 3.859 -1.435 1.00 10.29 N ATOM 11 CA SER A 2 15.159 2.424 -1.132 1.00 9.29 C ATOM 12 C SER A 2 15.163 1.568 -2.413 1.00 8.03 C ATOM 13 O SER A 2 14.507 1.921 -3.395 1.00 8.29 O ATOM 14 CB SER A 2 13.936 2.030 -0.284 1.00 9.49 C ATOM 15 OG SER A 2 13.399 3.102 0.474 1.00 10.61 O ATOM 0 H SER A 2 14.316 4.341 -1.032 1.00 10.29 H new ATOM 0 HA SER A 2 16.082 2.236 -0.583 1.00 9.29 H new ATOM 0 HB2 SER A 2 13.160 1.637 -0.941 1.00 9.49 H new ATOM 0 HB3 SER A 2 14.219 1.224 0.393 1.00 9.49 H new ATOM 0 HG SER A 2 12.819 2.746 1.179 1.00 10.61 H new ATOM 21 N PHE A 3 15.857 0.426 -2.395 1.00 7.12 N ATOM 22 CA PHE A 3 15.835 -0.583 -3.466 1.00 6.22 C ATOM 23 C PHE A 3 15.398 -1.963 -2.934 1.00 4.99 C ATOM 24 O PHE A 3 15.811 -3.001 -3.437 1.00 5.29 O ATOM 25 CB PHE A 3 17.176 -0.577 -4.217 1.00 7.12 C ATOM 26 CG PHE A 3 17.307 0.598 -5.170 1.00 8.32 C ATOM 27 CD1 PHE A 3 16.742 0.520 -6.459 1.00 8.77 C ATOM 28 CD2 PHE A 3 17.974 1.773 -4.774 1.00 9.50 C ATOM 29 CE1 PHE A 3 16.849 1.606 -7.346 1.00 10.29 C ATOM 30 CE2 PHE A 3 18.084 2.858 -5.663 1.00 10.95 C ATOM 31 CZ PHE A 3 17.525 2.774 -6.951 1.00 11.30 C ATOM 0 H PHE A 3 16.465 0.168 -1.618 1.00 7.12 H new ATOM 0 HA PHE A 3 15.074 -0.324 -4.202 1.00 6.22 H new ATOM 0 HB2 PHE A 3 17.992 -0.547 -3.495 1.00 7.12 H new ATOM 0 HB3 PHE A 3 17.279 -1.507 -4.776 1.00 7.12 H new ATOM 0 HD1 PHE A 3 16.225 -0.377 -6.767 1.00 8.77 H new ATOM 0 HD2 PHE A 3 18.402 1.842 -3.785 1.00 9.50 H new ATOM 0 HE1 PHE A 3 16.412 1.543 -8.331 1.00 10.29 H new ATOM 0 HE2 PHE A 3 18.598 3.757 -5.356 1.00 10.95 H new ATOM 0 HZ PHE A 3 17.615 3.605 -7.635 1.00 11.30 H new ATOM 41 N THR A 4 14.551 -1.936 -1.901 1.00 4.49 N ATOM 42 CA THR A 4 13.915 -3.055 -1.197 1.00 3.97 C ATOM 43 C THR A 4 13.026 -3.885 -2.125 1.00 2.48 C ATOM 44 O THR A 4 12.673 -3.442 -3.213 1.00 2.52 O ATOM 45 CB THR A 4 13.054 -2.489 -0.042 1.00 5.27 C ATOM 46 OG1 THR A 4 13.460 -1.176 0.299 1.00 6.50 O ATOM 47 CG2 THR A 4 13.145 -3.336 1.227 1.00 6.87 C ATOM 0 H THR A 4 14.265 -1.044 -1.497 1.00 4.49 H new ATOM 0 HA THR A 4 14.700 -3.709 -0.817 1.00 3.97 H new ATOM 0 HB THR A 4 12.028 -2.497 -0.411 1.00 5.27 H new ATOM 0 HG1 THR A 4 12.678 -0.653 0.573 1.00 6.50 H new ATOM 0 HG21 THR A 4 12.522 -2.894 2.005 1.00 6.87 H new ATOM 0 HG22 THR A 4 12.798 -4.347 1.015 1.00 6.87 H new ATOM 0 HG23 THR A 4 14.180 -3.372 1.567 1.00 6.87 H new ATOM 55 N GLU A 5 12.597 -5.055 -1.668 1.00 2.47 N ATOM 56 CA GLU A 5 11.345 -5.663 -2.133 1.00 2.09 C ATOM 57 C GLU A 5 10.184 -5.237 -1.224 1.00 1.89 C ATOM 58 O GLU A 5 10.371 -4.466 -0.285 1.00 2.25 O ATOM 59 CB GLU A 5 11.493 -7.189 -2.185 1.00 3.58 C ATOM 60 CG GLU A 5 12.273 -7.600 -3.434 1.00 4.46 C ATOM 61 CD GLU A 5 12.364 -9.118 -3.519 1.00 5.64 C ATOM 62 OE1 GLU A 5 11.287 -9.743 -3.628 1.00 6.45 O ATOM 63 OE2 GLU A 5 13.498 -9.630 -3.440 1.00 6.26 O ATOM 0 H GLU A 5 13.097 -5.608 -0.972 1.00 2.47 H new ATOM 0 HA GLU A 5 11.122 -5.314 -3.141 1.00 2.09 H new ATOM 0 HB2 GLU A 5 12.009 -7.543 -1.292 1.00 3.58 H new ATOM 0 HB3 GLU A 5 10.509 -7.657 -2.191 1.00 3.58 H new ATOM 0 HG2 GLU A 5 11.782 -7.207 -4.324 1.00 4.46 H new ATOM 0 HG3 GLU A 5 13.274 -7.169 -3.405 1.00 4.46 H new ATOM 70 N GLY A 6 8.974 -5.716 -1.516 1.00 1.82 N ATOM 71 CA GLY A 6 7.781 -5.440 -0.720 1.00 1.68 C ATOM 72 C GLY A 6 7.528 -6.449 0.394 1.00 1.49 C ATOM 73 O GLY A 6 8.105 -7.532 0.425 1.00 1.53 O ATOM 0 H GLY A 6 8.794 -6.314 -2.323 1.00 1.82 H new ATOM 0 HA2 GLY A 6 7.872 -4.446 -0.281 1.00 1.68 H new ATOM 0 HA3 GLY A 6 6.914 -5.419 -1.380 1.00 1.68 H new ATOM 77 N TRP A 7 6.583 -6.109 1.267 1.00 1.37 N ATOM 78 CA TRP A 7 6.227 -6.916 2.429 1.00 1.13 C ATOM 79 C TRP A 7 4.789 -6.618 2.881 1.00 1.04 C ATOM 80 O TRP A 7 4.283 -5.514 2.683 1.00 1.22 O ATOM 81 CB TRP A 7 7.240 -6.651 3.554 1.00 1.14 C ATOM 82 CG TRP A 7 7.219 -5.243 4.061 1.00 1.45 C ATOM 83 CD1 TRP A 7 6.440 -4.807 5.069 1.00 1.64 C ATOM 84 CD2 TRP A 7 7.903 -4.057 3.545 1.00 1.82 C ATOM 85 NE1 TRP A 7 6.609 -3.447 5.232 1.00 2.09 N ATOM 86 CE2 TRP A 7 7.458 -2.922 4.286 1.00 2.20 C ATOM 87 CE3 TRP A 7 8.821 -3.811 2.502 1.00 2.00 C ATOM 88 CZ2 TRP A 7 7.867 -1.614 3.991 1.00 2.66 C ATOM 89 CZ3 TRP A 7 9.237 -2.504 2.190 1.00 2.44 C ATOM 90 CH2 TRP A 7 8.756 -1.405 2.925 1.00 2.75 C ATOM 0 H TRP A 7 6.036 -5.252 1.185 1.00 1.37 H new ATOM 0 HA TRP A 7 6.265 -7.973 2.165 1.00 1.13 H new ATOM 0 HB2 TRP A 7 7.036 -7.329 4.382 1.00 1.14 H new ATOM 0 HB3 TRP A 7 8.242 -6.883 3.192 1.00 1.14 H new ATOM 0 HD1 TRP A 7 5.783 -5.427 5.660 1.00 1.64 H new ATOM 0 HE1 TRP A 7 6.159 -2.898 5.965 1.00 2.09 H new ATOM 0 HE3 TRP A 7 9.211 -4.642 1.933 1.00 2.00 H new ATOM 0 HZ2 TRP A 7 7.504 -0.781 4.574 1.00 2.66 H new ATOM 0 HZ3 TRP A 7 9.932 -2.343 1.379 1.00 2.44 H new ATOM 0 HH2 TRP A 7 9.070 -0.404 2.670 1.00 2.75 H new ATOM 101 N VAL A 8 4.122 -7.587 3.506 1.00 0.87 N ATOM 102 CA VAL A 8 2.755 -7.435 4.048 1.00 0.86 C ATOM 103 C VAL A 8 2.764 -7.624 5.574 1.00 0.88 C ATOM 104 O VAL A 8 3.637 -8.295 6.115 1.00 0.84 O ATOM 105 CB VAL A 8 1.756 -8.334 3.277 1.00 0.93 C ATOM 106 CG1 VAL A 8 0.333 -8.228 3.843 1.00 1.04 C ATOM 107 CG2 VAL A 8 1.751 -7.920 1.794 1.00 0.97 C ATOM 0 H VAL A 8 4.514 -8.517 3.657 1.00 0.87 H new ATOM 0 HA VAL A 8 2.395 -6.419 3.886 1.00 0.86 H new ATOM 0 HB VAL A 8 2.078 -9.370 3.386 1.00 0.93 H new ATOM 0 HG11 VAL A 8 -0.334 -8.874 3.273 1.00 1.04 H new ATOM 0 HG12 VAL A 8 0.333 -8.538 4.888 1.00 1.04 H new ATOM 0 HG13 VAL A 8 -0.012 -7.196 3.770 1.00 1.04 H new ATOM 0 HG21 VAL A 8 1.050 -8.548 1.243 1.00 0.97 H new ATOM 0 HG22 VAL A 8 1.448 -6.877 1.709 1.00 0.97 H new ATOM 0 HG23 VAL A 8 2.751 -8.042 1.379 1.00 0.97 H new ATOM 117 N ARG A 9 1.872 -6.945 6.301 1.00 1.00 N ATOM 118 CA ARG A 9 2.114 -6.568 7.696 1.00 0.95 C ATOM 119 C ARG A 9 1.573 -7.581 8.708 1.00 0.91 C ATOM 120 O ARG A 9 0.359 -7.672 8.917 1.00 1.48 O ATOM 121 CB ARG A 9 1.522 -5.171 7.928 1.00 1.20 C ATOM 122 CG ARG A 9 2.192 -4.421 9.075 1.00 1.51 C ATOM 123 CD ARG A 9 1.660 -4.717 10.471 1.00 1.79 C ATOM 124 NE ARG A 9 2.448 -3.937 11.428 1.00 2.34 N ATOM 125 CZ ARG A 9 2.049 -3.273 12.492 1.00 2.84 C ATOM 126 NH1 ARG A 9 0.818 -3.336 12.948 1.00 3.11 N ATOM 127 NH2 ARG A 9 2.943 -2.520 13.080 1.00 3.92 N ATOM 0 H ARG A 9 0.967 -6.643 5.941 1.00 1.00 H new ATOM 0 HA ARG A 9 3.191 -6.557 7.863 1.00 0.95 H new ATOM 0 HB2 ARG A 9 1.618 -4.586 7.014 1.00 1.20 H new ATOM 0 HB3 ARG A 9 0.456 -5.264 8.136 1.00 1.20 H new ATOM 0 HG2 ARG A 9 3.258 -4.650 9.058 1.00 1.51 H new ATOM 0 HG3 ARG A 9 2.093 -3.351 8.890 1.00 1.51 H new ATOM 0 HD2 ARG A 9 0.605 -4.453 10.541 1.00 1.79 H new ATOM 0 HD3 ARG A 9 1.738 -5.782 10.691 1.00 1.79 H new ATOM 0 HE ARG A 9 3.451 -3.904 11.243 1.00 2.34 H new ATOM 0 HH11 ARG A 9 0.127 -3.917 12.473 1.00 3.11 H new ATOM 0 HH12 ARG A 9 0.553 -2.804 13.777 1.00 3.11 H new ATOM 0 HH21 ARG A 9 3.892 -2.471 12.709 1.00 3.92 H new ATOM 0 HH22 ARG A 9 2.691 -1.982 13.909 1.00 3.92 H new ATOM 141 N PHE A 10 2.470 -8.276 9.410 1.00 0.99 N ATOM 142 CA PHE A 10 2.120 -9.082 10.575 1.00 1.22 C ATOM 143 C PHE A 10 1.633 -8.204 11.727 1.00 1.50 C ATOM 144 O PHE A 10 2.415 -7.597 12.452 1.00 1.91 O ATOM 145 CB PHE A 10 3.285 -9.981 11.028 1.00 1.47 C ATOM 146 CG PHE A 10 3.064 -10.673 12.374 1.00 1.67 C ATOM 147 CD1 PHE A 10 1.791 -11.145 12.767 1.00 2.08 C ATOM 148 CD2 PHE A 10 4.134 -10.776 13.281 1.00 2.98 C ATOM 149 CE1 PHE A 10 1.591 -11.694 14.043 1.00 2.21 C ATOM 150 CE2 PHE A 10 3.935 -11.319 14.563 1.00 3.23 C ATOM 151 CZ PHE A 10 2.659 -11.761 14.950 1.00 2.20 C ATOM 0 H PHE A 10 3.464 -8.294 9.183 1.00 0.99 H new ATOM 0 HA PHE A 10 1.302 -9.737 10.274 1.00 1.22 H new ATOM 0 HB2 PHE A 10 3.458 -10.742 10.267 1.00 1.47 H new ATOM 0 HB3 PHE A 10 4.191 -9.378 11.088 1.00 1.47 H new ATOM 0 HD1 PHE A 10 0.962 -11.082 12.077 1.00 2.08 H new ATOM 0 HD2 PHE A 10 5.117 -10.435 12.991 1.00 2.98 H new ATOM 0 HE1 PHE A 10 0.617 -12.064 14.326 1.00 2.21 H new ATOM 0 HE2 PHE A 10 4.764 -11.396 15.251 1.00 3.23 H new ATOM 0 HZ PHE A 10 2.500 -12.152 15.944 1.00 2.20 H new ATOM 161 N SER A 11 0.322 -8.211 11.948 1.00 1.54 N ATOM 162 CA SER A 11 -0.289 -7.846 13.211 1.00 1.78 C ATOM 163 C SER A 11 -1.669 -8.510 13.336 1.00 1.88 C ATOM 164 O SER A 11 -2.450 -8.386 12.389 1.00 2.27 O ATOM 165 CB SER A 11 -0.441 -6.325 13.284 1.00 2.30 C ATOM 166 OG SER A 11 -1.005 -5.726 12.124 1.00 2.47 O ATOM 0 H SER A 11 -0.356 -8.478 11.234 1.00 1.54 H new ATOM 0 HA SER A 11 0.346 -8.188 14.029 1.00 1.78 H new ATOM 0 HB2 SER A 11 -1.064 -6.077 14.143 1.00 2.30 H new ATOM 0 HB3 SER A 11 0.540 -5.884 13.463 1.00 2.30 H new ATOM 0 HG SER A 11 -1.694 -6.316 11.753 1.00 2.47 H new ATOM 172 N PRO A 12 -1.993 -9.186 14.460 1.00 1.78 N ATOM 173 CA PRO A 12 -3.263 -9.881 14.653 1.00 1.97 C ATOM 174 C PRO A 12 -4.356 -8.887 15.074 1.00 2.22 C ATOM 175 O PRO A 12 -4.740 -8.806 16.239 1.00 2.95 O ATOM 176 CB PRO A 12 -2.963 -10.949 15.710 1.00 1.96 C ATOM 177 CG PRO A 12 -1.942 -10.245 16.603 1.00 1.90 C ATOM 178 CD PRO A 12 -1.126 -9.419 15.609 1.00 1.73 C ATOM 0 HA PRO A 12 -3.649 -10.346 13.746 1.00 1.97 H new ATOM 0 HB2 PRO A 12 -3.857 -11.236 16.263 1.00 1.96 H new ATOM 0 HB3 PRO A 12 -2.557 -11.858 15.266 1.00 1.96 H new ATOM 0 HG2 PRO A 12 -2.426 -9.615 17.350 1.00 1.90 H new ATOM 0 HG3 PRO A 12 -1.319 -10.958 17.143 1.00 1.90 H new ATOM 0 HD2 PRO A 12 -0.810 -8.476 16.055 1.00 1.73 H new ATOM 0 HD3 PRO A 12 -0.222 -9.950 15.312 1.00 1.73 H new ATOM 186 N GLY A 13 -4.833 -8.101 14.106 1.00 1.96 N ATOM 187 CA GLY A 13 -5.922 -7.134 14.274 1.00 2.10 C ATOM 188 C GLY A 13 -7.137 -7.440 13.388 1.00 1.73 C ATOM 189 O GLY A 13 -7.031 -8.242 12.457 1.00 1.64 O ATOM 0 H GLY A 13 -4.462 -8.120 13.156 1.00 1.96 H new ATOM 0 HA2 GLY A 13 -6.234 -7.124 15.318 1.00 2.10 H new ATOM 0 HA3 GLY A 13 -5.553 -6.135 14.042 1.00 2.10 H new ATOM 193 N PRO A 14 -8.284 -6.773 13.629 1.00 1.79 N ATOM 194 CA PRO A 14 -9.409 -6.784 12.694 1.00 1.82 C ATOM 195 C PRO A 14 -9.029 -6.077 11.386 1.00 1.45 C ATOM 196 O PRO A 14 -9.482 -6.481 10.315 1.00 1.36 O ATOM 197 CB PRO A 14 -10.543 -6.065 13.430 1.00 2.23 C ATOM 198 CG PRO A 14 -9.816 -5.091 14.357 1.00 2.28 C ATOM 199 CD PRO A 14 -8.530 -5.836 14.720 1.00 2.13 C ATOM 0 HA PRO A 14 -9.706 -7.793 12.406 1.00 1.82 H new ATOM 0 HB2 PRO A 14 -11.201 -5.542 12.737 1.00 2.23 H new ATOM 0 HB3 PRO A 14 -11.163 -6.765 13.991 1.00 2.23 H new ATOM 0 HG2 PRO A 14 -9.605 -4.145 13.859 1.00 2.28 H new ATOM 0 HG3 PRO A 14 -10.409 -4.860 15.242 1.00 2.28 H new ATOM 0 HD2 PRO A 14 -7.697 -5.143 14.834 1.00 2.13 H new ATOM 0 HD3 PRO A 14 -8.639 -6.362 15.669 1.00 2.13 H new ATOM 207 N ASN A 15 -8.155 -5.065 11.481 1.00 1.43 N ATOM 208 CA ASN A 15 -7.374 -4.488 10.394 1.00 1.06 C ATOM 209 C ASN A 15 -5.857 -4.755 10.566 1.00 0.88 C ATOM 210 O ASN A 15 -5.338 -4.847 11.682 1.00 1.17 O ATOM 211 CB ASN A 15 -7.660 -2.979 10.306 1.00 1.29 C ATOM 212 CG ASN A 15 -7.191 -2.178 11.520 1.00 1.89 C ATOM 213 OD1 ASN A 15 -7.403 -2.549 12.667 1.00 2.39 O ATOM 214 ND2 ASN A 15 -6.554 -1.041 11.305 1.00 2.69 N ATOM 0 H ASN A 15 -7.969 -4.606 12.372 1.00 1.43 H new ATOM 0 HA ASN A 15 -7.673 -4.969 9.463 1.00 1.06 H new ATOM 0 HB2 ASN A 15 -7.176 -2.581 9.414 1.00 1.29 H new ATOM 0 HB3 ASN A 15 -8.733 -2.831 10.180 1.00 1.29 H new ATOM 0 HD21 ASN A 15 -6.240 -0.475 12.094 1.00 2.69 H new ATOM 0 HD22 ASN A 15 -6.376 -0.729 10.350 1.00 2.69 H new ATOM 221 N ALA A 16 -5.131 -4.792 9.447 1.00 0.65 N ATOM 222 CA ALA A 16 -3.669 -4.792 9.327 1.00 0.81 C ATOM 223 C ALA A 16 -3.294 -4.053 8.023 1.00 0.65 C ATOM 224 O ALA A 16 -4.104 -3.266 7.532 1.00 0.54 O ATOM 225 CB ALA A 16 -3.137 -6.233 9.422 1.00 1.23 C ATOM 0 H ALA A 16 -5.582 -4.825 8.533 1.00 0.65 H new ATOM 0 HA ALA A 16 -3.191 -4.256 10.147 1.00 0.81 H new ATOM 0 HB1 ALA A 16 -2.051 -6.226 9.332 1.00 1.23 H new ATOM 0 HB2 ALA A 16 -3.419 -6.662 10.383 1.00 1.23 H new ATOM 0 HB3 ALA A 16 -3.564 -6.832 8.618 1.00 1.23 H new ATOM 231 N ALA A 17 -2.108 -4.270 7.440 1.00 1.13 N ATOM 232 CA ALA A 17 -1.640 -3.496 6.282 1.00 1.17 C ATOM 233 C ALA A 17 -0.876 -4.338 5.243 1.00 1.30 C ATOM 234 O ALA A 17 -0.334 -5.382 5.588 1.00 1.56 O ATOM 235 CB ALA A 17 -0.786 -2.319 6.784 1.00 1.29 C ATOM 0 H ALA A 17 -1.449 -4.982 7.755 1.00 1.13 H new ATOM 0 HA ALA A 17 -2.519 -3.126 5.754 1.00 1.17 H new ATOM 0 HB1 ALA A 17 -0.433 -1.737 5.933 1.00 1.29 H new ATOM 0 HB2 ALA A 17 -1.388 -1.684 7.433 1.00 1.29 H new ATOM 0 HB3 ALA A 17 0.069 -2.702 7.342 1.00 1.29 H new ATOM 241 N ALA A 18 -0.768 -3.848 4.005 1.00 1.21 N ATOM 242 CA ALA A 18 0.166 -4.314 2.978 1.00 1.31 C ATOM 243 C ALA A 18 0.989 -3.139 2.424 1.00 1.24 C ATOM 244 O ALA A 18 0.513 -1.999 2.356 1.00 1.12 O ATOM 245 CB ALA A 18 -0.599 -5.048 1.862 1.00 1.37 C ATOM 0 H ALA A 18 -1.356 -3.081 3.677 1.00 1.21 H new ATOM 0 HA ALA A 18 0.865 -5.020 3.426 1.00 1.31 H new ATOM 0 HB1 ALA A 18 0.105 -5.391 1.103 1.00 1.37 H new ATOM 0 HB2 ALA A 18 -1.124 -5.905 2.284 1.00 1.37 H new ATOM 0 HB3 ALA A 18 -1.320 -4.369 1.408 1.00 1.37 H new ATOM 251 N TYR A 19 2.217 -3.442 2.001 1.00 1.42 N ATOM 252 CA TYR A 19 3.180 -2.496 1.439 1.00 1.49 C ATOM 253 C TYR A 19 3.979 -3.145 0.292 1.00 1.55 C ATOM 254 O TYR A 19 3.828 -4.335 0.017 1.00 1.86 O ATOM 255 CB TYR A 19 4.138 -2.006 2.536 1.00 1.44 C ATOM 256 CG TYR A 19 3.574 -1.806 3.934 1.00 1.36 C ATOM 257 CD1 TYR A 19 3.016 -0.578 4.337 1.00 2.03 C ATOM 258 CD2 TYR A 19 3.717 -2.842 4.874 1.00 2.45 C ATOM 259 CE1 TYR A 19 2.684 -0.370 5.692 1.00 2.01 C ATOM 260 CE2 TYR A 19 3.495 -2.603 6.240 1.00 2.37 C ATOM 261 CZ TYR A 19 2.993 -1.355 6.656 1.00 1.17 C ATOM 262 OH TYR A 19 2.867 -1.079 7.980 1.00 1.22 O ATOM 0 H TYR A 19 2.582 -4.393 2.043 1.00 1.42 H new ATOM 0 HA TYR A 19 2.631 -1.645 1.037 1.00 1.49 H new ATOM 0 HB2 TYR A 19 4.960 -2.719 2.605 1.00 1.44 H new ATOM 0 HB3 TYR A 19 4.565 -1.058 2.209 1.00 1.44 H new ATOM 0 HD1 TYR A 19 2.843 0.202 3.611 1.00 2.03 H new ATOM 0 HD2 TYR A 19 4.000 -3.830 4.543 1.00 2.45 H new ATOM 0 HE1 TYR A 19 2.193 0.544 5.993 1.00 2.01 H new ATOM 0 HE2 TYR A 19 3.708 -3.372 6.967 1.00 2.37 H new ATOM 0 HH TYR A 19 3.581 -1.529 8.477 1.00 1.22 H new ATOM 272 N LEU A 20 4.828 -2.359 -0.378 1.00 1.40 N ATOM 273 CA LEU A 20 5.591 -2.757 -1.564 1.00 1.41 C ATOM 274 C LEU A 20 6.561 -1.672 -2.021 1.00 1.34 C ATOM 275 O LEU A 20 6.269 -0.483 -1.882 1.00 1.27 O ATOM 276 CB LEU A 20 4.684 -3.270 -2.707 1.00 1.32 C ATOM 277 CG LEU A 20 3.579 -2.292 -3.165 1.00 1.06 C ATOM 278 CD1 LEU A 20 4.003 -1.493 -4.403 1.00 1.50 C ATOM 279 CD2 LEU A 20 2.300 -3.071 -3.477 1.00 1.99 C ATOM 0 H LEU A 20 5.009 -1.395 -0.099 1.00 1.40 H new ATOM 0 HA LEU A 20 6.206 -3.606 -1.265 1.00 1.41 H new ATOM 0 HB2 LEU A 20 5.311 -3.511 -3.565 1.00 1.32 H new ATOM 0 HB3 LEU A 20 4.213 -4.199 -2.385 1.00 1.32 H new ATOM 0 HG LEU A 20 3.402 -1.587 -2.353 1.00 1.06 H new ATOM 0 HD11 LEU A 20 3.198 -0.817 -4.693 1.00 1.50 H new ATOM 0 HD12 LEU A 20 4.898 -0.915 -4.174 1.00 1.50 H new ATOM 0 HD13 LEU A 20 4.214 -2.179 -5.224 1.00 1.50 H new ATOM 0 HD21 LEU A 20 1.522 -2.379 -3.800 1.00 1.99 H new ATOM 0 HD22 LEU A 20 2.497 -3.791 -4.271 1.00 1.99 H new ATOM 0 HD23 LEU A 20 1.968 -3.599 -2.583 1.00 1.99 H new ATOM 291 N THR A 21 7.681 -2.111 -2.600 1.00 1.44 N ATOM 292 CA THR A 21 8.693 -1.274 -3.245 1.00 1.45 C ATOM 293 C THR A 21 8.713 -1.669 -4.711 1.00 1.90 C ATOM 294 O THR A 21 8.840 -2.850 -5.024 1.00 2.18 O ATOM 295 CB THR A 21 10.055 -1.455 -2.569 1.00 1.52 C ATOM 296 OG1 THR A 21 9.839 -1.262 -1.195 1.00 1.59 O ATOM 297 CG2 THR A 21 11.054 -0.401 -3.038 1.00 1.86 C ATOM 0 H THR A 21 7.917 -3.103 -2.633 1.00 1.44 H new ATOM 0 HA THR A 21 8.458 -0.214 -3.152 1.00 1.45 H new ATOM 0 HB THR A 21 10.459 -2.439 -2.808 1.00 1.52 H new ATOM 0 HG1 THR A 21 10.519 -0.653 -0.839 1.00 1.59 H new ATOM 0 HG21 THR A 21 12.010 -0.558 -2.539 1.00 1.86 H new ATOM 0 HG22 THR A 21 11.190 -0.483 -4.116 1.00 1.86 H new ATOM 0 HG23 THR A 21 10.677 0.592 -2.794 1.00 1.86 H new ATOM 305 N LEU A 22 8.479 -0.699 -5.597 1.00 2.09 N ATOM 306 CA LEU A 22 8.006 -0.943 -6.965 1.00 2.31 C ATOM 307 C LEU A 22 8.319 0.259 -7.860 1.00 1.66 C ATOM 308 O LEU A 22 8.178 1.413 -7.439 1.00 1.33 O ATOM 309 CB LEU A 22 6.492 -1.257 -6.876 1.00 2.91 C ATOM 310 CG LEU A 22 5.681 -1.595 -8.150 1.00 3.13 C ATOM 311 CD1 LEU A 22 5.225 -0.349 -8.920 1.00 2.70 C ATOM 312 CD2 LEU A 22 6.383 -2.608 -9.064 1.00 4.20 C ATOM 0 H LEU A 22 8.613 0.290 -5.385 1.00 2.09 H new ATOM 0 HA LEU A 22 8.516 -1.790 -7.423 1.00 2.31 H new ATOM 0 HB2 LEU A 22 6.378 -2.097 -6.190 1.00 2.91 H new ATOM 0 HB3 LEU A 22 6.013 -0.397 -6.409 1.00 2.91 H new ATOM 0 HG LEU A 22 4.777 -2.084 -7.788 1.00 3.13 H new ATOM 0 HD11 LEU A 22 4.662 -0.653 -9.802 1.00 2.70 H new ATOM 0 HD12 LEU A 22 4.592 0.264 -8.278 1.00 2.70 H new ATOM 0 HD13 LEU A 22 6.097 0.228 -9.227 1.00 2.70 H new ATOM 0 HD21 LEU A 22 5.761 -2.801 -9.938 1.00 4.20 H new ATOM 0 HD22 LEU A 22 7.344 -2.205 -9.384 1.00 4.20 H new ATOM 0 HD23 LEU A 22 6.543 -3.539 -8.520 1.00 4.20 H new ATOM 324 N GLU A 23 8.746 -0.020 -9.086 1.00 1.67 N ATOM 325 CA GLU A 23 9.008 0.951 -10.139 1.00 1.23 C ATOM 326 C GLU A 23 7.993 0.914 -11.278 1.00 1.01 C ATOM 327 O GLU A 23 7.499 -0.135 -11.691 1.00 1.25 O ATOM 328 CB GLU A 23 10.428 0.786 -10.713 1.00 1.60 C ATOM 329 CG GLU A 23 10.784 -0.633 -11.181 1.00 1.95 C ATOM 330 CD GLU A 23 11.263 -1.468 -10.003 1.00 1.94 C ATOM 331 OE1 GLU A 23 12.448 -1.338 -9.641 1.00 2.79 O ATOM 332 OE2 GLU A 23 10.449 -2.148 -9.342 1.00 2.57 O ATOM 0 H GLU A 23 8.928 -0.978 -9.386 1.00 1.67 H new ATOM 0 HA GLU A 23 8.914 1.924 -9.657 1.00 1.23 H new ATOM 0 HB2 GLU A 23 10.544 1.469 -11.555 1.00 1.60 H new ATOM 0 HB3 GLU A 23 11.147 1.092 -9.953 1.00 1.60 H new ATOM 0 HG2 GLU A 23 9.913 -1.102 -11.639 1.00 1.95 H new ATOM 0 HG3 GLU A 23 11.561 -0.588 -11.945 1.00 1.95 H new ATOM 339 N ASN A 24 7.772 2.095 -11.847 1.00 0.80 N ATOM 340 CA ASN A 24 7.305 2.253 -13.211 1.00 0.76 C ATOM 341 C ASN A 24 8.509 2.230 -14.178 1.00 0.76 C ATOM 342 O ASN A 24 9.306 3.173 -14.164 1.00 0.78 O ATOM 343 CB ASN A 24 6.566 3.589 -13.310 1.00 0.72 C ATOM 344 CG ASN A 24 6.023 3.842 -14.705 1.00 0.68 C ATOM 345 OD1 ASN A 24 5.974 2.967 -15.562 1.00 0.75 O ATOM 346 ND2 ASN A 24 5.580 5.054 -14.943 1.00 0.69 N ATOM 0 H ASN A 24 7.916 2.980 -11.361 1.00 0.80 H new ATOM 0 HA ASN A 24 6.633 1.439 -13.482 1.00 0.76 H new ATOM 0 HB2 ASN A 24 5.744 3.601 -12.594 1.00 0.72 H new ATOM 0 HB3 ASN A 24 7.242 4.398 -13.033 1.00 0.72 H new ATOM 0 HD21 ASN A 24 5.185 5.283 -15.855 1.00 0.69 H new ATOM 0 HD22 ASN A 24 5.630 5.767 -14.216 1.00 0.69 H new ATOM 353 N PRO A 25 8.653 1.202 -15.034 1.00 0.83 N ATOM 354 CA PRO A 25 9.694 1.157 -16.060 1.00 0.88 C ATOM 355 C PRO A 25 9.342 1.955 -17.328 1.00 0.84 C ATOM 356 O PRO A 25 10.213 2.147 -18.176 1.00 0.89 O ATOM 357 CB PRO A 25 9.843 -0.333 -16.380 1.00 1.08 C ATOM 358 CG PRO A 25 8.422 -0.863 -16.189 1.00 1.13 C ATOM 359 CD PRO A 25 7.919 -0.057 -14.999 1.00 0.98 C ATOM 0 HA PRO A 25 10.613 1.619 -15.699 1.00 0.88 H new ATOM 0 HB2 PRO A 25 10.202 -0.495 -17.396 1.00 1.08 H new ATOM 0 HB3 PRO A 25 10.551 -0.822 -15.710 1.00 1.08 H new ATOM 0 HG2 PRO A 25 7.808 -0.702 -17.075 1.00 1.13 H new ATOM 0 HG3 PRO A 25 8.414 -1.934 -15.985 1.00 1.13 H new ATOM 0 HD2 PRO A 25 6.845 0.114 -15.069 1.00 0.98 H new ATOM 0 HD3 PRO A 25 8.097 -0.588 -14.064 1.00 0.98 H new ATOM 367 N GLY A 26 8.096 2.421 -17.478 1.00 0.83 N ATOM 368 CA GLY A 26 7.622 3.135 -18.665 1.00 0.91 C ATOM 369 C GLY A 26 8.003 4.612 -18.687 1.00 0.86 C ATOM 370 O GLY A 26 8.683 5.118 -17.795 1.00 0.83 O ATOM 0 H GLY A 26 7.377 2.309 -16.763 1.00 0.83 H new ATOM 0 HA2 GLY A 26 8.027 2.652 -19.554 1.00 0.91 H new ATOM 0 HA3 GLY A 26 6.537 3.048 -18.721 1.00 0.91 H new ATOM 374 N ASP A 27 7.572 5.284 -19.757 1.00 1.02 N ATOM 375 CA ASP A 27 7.886 6.685 -20.082 1.00 1.09 C ATOM 376 C ASP A 27 6.672 7.625 -19.934 1.00 1.16 C ATOM 377 O ASP A 27 6.807 8.842 -20.017 1.00 1.34 O ATOM 378 CB ASP A 27 8.488 6.720 -21.494 1.00 1.22 C ATOM 379 CG ASP A 27 9.808 5.952 -21.497 1.00 1.56 C ATOM 380 OD1 ASP A 27 9.780 4.712 -21.659 1.00 2.14 O ATOM 381 OD2 ASP A 27 10.850 6.537 -21.128 1.00 2.55 O ATOM 0 H ASP A 27 6.967 4.850 -20.454 1.00 1.02 H new ATOM 0 HA ASP A 27 8.611 7.066 -19.363 1.00 1.09 H new ATOM 0 HB2 ASP A 27 7.794 6.277 -22.209 1.00 1.22 H new ATOM 0 HB3 ASP A 27 8.653 7.751 -21.806 1.00 1.22 H new ATOM 386 N LEU A 28 5.498 7.060 -19.626 1.00 1.11 N ATOM 387 CA LEU A 28 4.304 7.766 -19.152 1.00 1.20 C ATOM 388 C LEU A 28 4.018 7.393 -17.678 1.00 0.99 C ATOM 389 O LEU A 28 4.520 6.362 -17.220 1.00 0.81 O ATOM 390 CB LEU A 28 3.146 7.492 -20.135 1.00 1.44 C ATOM 391 CG LEU A 28 2.614 6.044 -20.224 1.00 1.47 C ATOM 392 CD1 LEU A 28 1.693 5.672 -19.050 1.00 1.91 C ATOM 393 CD2 LEU A 28 1.820 5.892 -21.530 1.00 1.71 C ATOM 0 H LEU A 28 5.349 6.054 -19.704 1.00 1.11 H new ATOM 0 HA LEU A 28 4.449 8.846 -19.143 1.00 1.20 H new ATOM 0 HB2 LEU A 28 2.313 8.140 -19.863 1.00 1.44 H new ATOM 0 HB3 LEU A 28 3.472 7.793 -21.131 1.00 1.44 H new ATOM 0 HG LEU A 28 3.476 5.378 -20.191 1.00 1.47 H new ATOM 0 HD11 LEU A 28 1.351 4.644 -19.168 1.00 1.91 H new ATOM 0 HD12 LEU A 28 2.242 5.767 -18.113 1.00 1.91 H new ATOM 0 HD13 LEU A 28 0.833 6.341 -19.036 1.00 1.91 H new ATOM 0 HD21 LEU A 28 1.438 4.874 -21.607 1.00 1.71 H new ATOM 0 HD22 LEU A 28 0.986 6.594 -21.533 1.00 1.71 H new ATOM 0 HD23 LEU A 28 2.472 6.100 -22.378 1.00 1.71 H new ATOM 405 N PRO A 29 3.257 8.199 -16.910 1.00 1.08 N ATOM 406 CA PRO A 29 3.087 8.003 -15.472 1.00 0.97 C ATOM 407 C PRO A 29 2.017 6.937 -15.169 1.00 0.86 C ATOM 408 O PRO A 29 1.064 6.772 -15.930 1.00 1.06 O ATOM 409 CB PRO A 29 2.673 9.372 -14.926 1.00 1.22 C ATOM 410 CG PRO A 29 1.899 9.992 -16.088 1.00 1.44 C ATOM 411 CD PRO A 29 2.566 9.408 -17.338 1.00 1.37 C ATOM 0 HA PRO A 29 4.003 7.640 -15.007 1.00 0.97 H new ATOM 0 HB2 PRO A 29 2.054 9.279 -14.034 1.00 1.22 H new ATOM 0 HB3 PRO A 29 3.539 9.975 -14.652 1.00 1.22 H new ATOM 0 HG2 PRO A 29 0.841 9.734 -16.044 1.00 1.44 H new ATOM 0 HG3 PRO A 29 1.963 11.080 -16.074 1.00 1.44 H new ATOM 0 HD2 PRO A 29 1.824 9.181 -18.104 1.00 1.37 H new ATOM 0 HD3 PRO A 29 3.266 10.121 -17.774 1.00 1.37 H new ATOM 419 N LEU A 30 2.136 6.260 -14.021 1.00 0.70 N ATOM 420 CA LEU A 30 1.111 5.358 -13.479 1.00 0.64 C ATOM 421 C LEU A 30 0.225 6.075 -12.459 1.00 0.64 C ATOM 422 O LEU A 30 0.649 7.024 -11.802 1.00 0.83 O ATOM 423 CB LEU A 30 1.715 4.116 -12.823 1.00 0.73 C ATOM 424 CG LEU A 30 2.603 3.288 -13.752 1.00 0.80 C ATOM 425 CD1 LEU A 30 3.082 2.061 -12.983 1.00 1.85 C ATOM 426 CD2 LEU A 30 1.939 2.845 -15.061 1.00 1.72 C ATOM 0 H LEU A 30 2.965 6.325 -13.430 1.00 0.70 H new ATOM 0 HA LEU A 30 0.509 5.041 -14.331 1.00 0.64 H new ATOM 0 HB2 LEU A 30 2.301 4.424 -11.957 1.00 0.73 H new ATOM 0 HB3 LEU A 30 0.907 3.485 -12.452 1.00 0.73 H new ATOM 0 HG LEU A 30 3.425 3.936 -14.055 1.00 0.80 H new ATOM 0 HD11 LEU A 30 3.718 1.454 -13.627 1.00 1.85 H new ATOM 0 HD12 LEU A 30 3.649 2.379 -12.108 1.00 1.85 H new ATOM 0 HD13 LEU A 30 2.222 1.473 -12.664 1.00 1.85 H new ATOM 0 HD21 LEU A 30 2.649 2.264 -15.651 1.00 1.72 H new ATOM 0 HD22 LEU A 30 1.066 2.232 -14.837 1.00 1.72 H new ATOM 0 HD23 LEU A 30 1.630 3.723 -15.628 1.00 1.72 H new ATOM 438 N ARG A 31 -0.970 5.523 -12.270 1.00 0.62 N ATOM 439 CA ARG A 31 -1.992 6.010 -11.332 1.00 0.57 C ATOM 440 C ARG A 31 -2.716 4.835 -10.672 1.00 0.57 C ATOM 441 O ARG A 31 -3.449 4.107 -11.342 1.00 0.57 O ATOM 442 CB ARG A 31 -2.947 6.944 -12.084 1.00 0.56 C ATOM 443 CG ARG A 31 -3.982 7.615 -11.163 1.00 0.60 C ATOM 444 CD ARG A 31 -4.746 8.731 -11.887 1.00 0.73 C ATOM 445 NE ARG A 31 -5.373 8.238 -13.134 1.00 2.25 N ATOM 446 CZ ARG A 31 -5.576 8.914 -14.259 1.00 2.82 C ATOM 447 NH1 ARG A 31 -5.347 10.211 -14.340 1.00 2.18 N ATOM 448 NH2 ARG A 31 -6.014 8.275 -15.327 1.00 4.64 N ATOM 0 H ARG A 31 -1.270 4.693 -12.782 1.00 0.62 H new ATOM 0 HA ARG A 31 -1.528 6.577 -10.525 1.00 0.57 H new ATOM 0 HB2 ARG A 31 -2.367 7.715 -12.592 1.00 0.56 H new ATOM 0 HB3 ARG A 31 -3.469 6.377 -12.855 1.00 0.56 H new ATOM 0 HG2 ARG A 31 -4.687 6.866 -10.802 1.00 0.60 H new ATOM 0 HG3 ARG A 31 -3.478 8.027 -10.289 1.00 0.60 H new ATOM 0 HD2 ARG A 31 -5.514 9.135 -11.227 1.00 0.73 H new ATOM 0 HD3 ARG A 31 -4.064 9.549 -12.120 1.00 0.73 H new ATOM 0 HE ARG A 31 -5.685 7.267 -13.129 1.00 2.25 H new ATOM 0 HH11 ARG A 31 -5.005 10.720 -13.525 1.00 2.18 H new ATOM 0 HH12 ARG A 31 -5.512 10.704 -15.217 1.00 2.18 H new ATOM 0 HH21 ARG A 31 -6.193 7.272 -15.283 1.00 4.64 H new ATOM 0 HH22 ARG A 31 -6.173 8.784 -16.196 1.00 4.64 H new ATOM 462 N LEU A 32 -2.463 4.617 -9.384 1.00 0.62 N ATOM 463 CA LEU A 32 -2.828 3.440 -8.591 1.00 0.59 C ATOM 464 C LEU A 32 -4.140 3.709 -7.839 1.00 0.59 C ATOM 465 O LEU A 32 -4.165 4.559 -6.957 1.00 0.66 O ATOM 466 CB LEU A 32 -1.644 3.186 -7.632 1.00 0.61 C ATOM 467 CG LEU A 32 -1.800 2.020 -6.635 1.00 0.58 C ATOM 468 CD1 LEU A 32 -1.817 0.660 -7.344 1.00 0.72 C ATOM 469 CD2 LEU A 32 -0.633 2.056 -5.635 1.00 0.67 C ATOM 0 H LEU A 32 -1.961 5.307 -8.824 1.00 0.62 H new ATOM 0 HA LEU A 32 -3.003 2.558 -9.208 1.00 0.59 H new ATOM 0 HB2 LEU A 32 -0.753 3.004 -8.232 1.00 0.61 H new ATOM 0 HB3 LEU A 32 -1.464 4.098 -7.063 1.00 0.61 H new ATOM 0 HG LEU A 32 -2.753 2.140 -6.121 1.00 0.58 H new ATOM 0 HD11 LEU A 32 -1.928 -0.134 -6.606 1.00 0.72 H new ATOM 0 HD12 LEU A 32 -2.652 0.625 -8.044 1.00 0.72 H new ATOM 0 HD13 LEU A 32 -0.882 0.521 -7.888 1.00 0.72 H new ATOM 0 HD21 LEU A 32 -0.736 1.234 -4.926 1.00 0.67 H new ATOM 0 HD22 LEU A 32 0.310 1.956 -6.172 1.00 0.67 H new ATOM 0 HD23 LEU A 32 -0.645 3.004 -5.096 1.00 0.67 H new ATOM 481 N VAL A 33 -5.209 2.990 -8.178 1.00 0.56 N ATOM 482 CA VAL A 33 -6.564 3.155 -7.597 1.00 0.58 C ATOM 483 C VAL A 33 -6.916 2.073 -6.573 1.00 0.52 C ATOM 484 O VAL A 33 -7.906 2.208 -5.854 1.00 0.59 O ATOM 485 CB VAL A 33 -7.682 3.201 -8.671 1.00 0.70 C ATOM 486 CG1 VAL A 33 -7.786 4.616 -9.254 1.00 1.30 C ATOM 487 CG2 VAL A 33 -7.498 2.175 -9.803 1.00 0.55 C ATOM 0 H VAL A 33 -5.168 2.254 -8.882 1.00 0.56 H new ATOM 0 HA VAL A 33 -6.518 4.119 -7.090 1.00 0.58 H new ATOM 0 HB VAL A 33 -8.608 2.930 -8.164 1.00 0.70 H new ATOM 0 HG11 VAL A 33 -8.573 4.642 -10.008 1.00 1.30 H new ATOM 0 HG12 VAL A 33 -8.023 5.321 -8.457 1.00 1.30 H new ATOM 0 HG13 VAL A 33 -6.836 4.892 -9.712 1.00 1.30 H new ATOM 0 HG21 VAL A 33 -8.318 2.268 -10.515 1.00 0.55 H new ATOM 0 HG22 VAL A 33 -6.552 2.361 -10.312 1.00 0.55 H new ATOM 0 HG23 VAL A 33 -7.493 1.169 -9.385 1.00 0.55 H new ATOM 497 N GLY A 34 -6.133 0.994 -6.481 1.00 0.48 N ATOM 498 CA GLY A 34 -6.332 -0.011 -5.440 1.00 0.49 C ATOM 499 C GLY A 34 -5.447 -1.233 -5.605 1.00 0.53 C ATOM 500 O GLY A 34 -4.438 -1.199 -6.304 1.00 0.51 O ATOM 0 H GLY A 34 -5.358 0.797 -7.114 1.00 0.48 H new ATOM 0 HA2 GLY A 34 -6.137 0.441 -4.467 1.00 0.49 H new ATOM 0 HA3 GLY A 34 -7.376 -0.325 -5.443 1.00 0.49 H new ATOM 504 N ALA A 35 -5.870 -2.332 -4.989 1.00 0.63 N ATOM 505 CA ALA A 35 -5.342 -3.663 -5.242 1.00 0.77 C ATOM 506 C ALA A 35 -6.425 -4.739 -5.031 1.00 0.89 C ATOM 507 O ALA A 35 -7.569 -4.393 -4.708 1.00 0.96 O ATOM 508 CB ALA A 35 -4.099 -3.884 -4.379 1.00 0.95 C ATOM 0 H ALA A 35 -6.607 -2.319 -4.284 1.00 0.63 H new ATOM 0 HA ALA A 35 -5.040 -3.750 -6.286 1.00 0.77 H new ATOM 0 HB1 ALA A 35 -3.699 -4.881 -4.565 1.00 0.95 H new ATOM 0 HB2 ALA A 35 -3.345 -3.138 -4.630 1.00 0.95 H new ATOM 0 HB3 ALA A 35 -4.366 -3.791 -3.326 1.00 0.95 H new ATOM 514 N ARG A 36 -6.083 -6.026 -5.177 1.00 0.98 N ATOM 515 CA ARG A 36 -6.931 -7.169 -4.779 1.00 0.96 C ATOM 516 C ARG A 36 -6.029 -8.270 -4.217 1.00 0.89 C ATOM 517 O ARG A 36 -4.997 -8.535 -4.815 1.00 0.99 O ATOM 518 CB ARG A 36 -7.718 -7.738 -5.981 1.00 1.08 C ATOM 519 CG ARG A 36 -8.739 -6.787 -6.625 1.00 1.91 C ATOM 520 CD ARG A 36 -9.934 -6.471 -5.710 1.00 2.98 C ATOM 521 NE ARG A 36 -10.177 -5.021 -5.613 1.00 4.82 N ATOM 522 CZ ARG A 36 -11.144 -4.309 -6.190 1.00 6.27 C ATOM 523 NH1 ARG A 36 -12.027 -4.848 -7.007 1.00 6.31 N ATOM 524 NH2 ARG A 36 -11.234 -3.015 -5.954 1.00 8.14 N ATOM 0 H ARG A 36 -5.192 -6.313 -5.583 1.00 0.98 H new ATOM 0 HA ARG A 36 -7.648 -6.824 -4.034 1.00 0.96 H new ATOM 0 HB2 ARG A 36 -7.004 -8.045 -6.745 1.00 1.08 H new ATOM 0 HB3 ARG A 36 -8.242 -8.636 -5.655 1.00 1.08 H new ATOM 0 HG2 ARG A 36 -8.240 -5.856 -6.894 1.00 1.91 H new ATOM 0 HG3 ARG A 36 -9.106 -7.231 -7.551 1.00 1.91 H new ATOM 0 HD2 ARG A 36 -10.827 -6.965 -6.094 1.00 2.98 H new ATOM 0 HD3 ARG A 36 -9.748 -6.876 -4.715 1.00 2.98 H new ATOM 0 HE ARG A 36 -9.523 -4.497 -5.031 1.00 4.82 H new ATOM 0 HH11 ARG A 36 -11.985 -5.845 -7.218 1.00 6.31 H new ATOM 0 HH12 ARG A 36 -12.752 -4.268 -7.429 1.00 6.31 H new ATOM 0 HH21 ARG A 36 -10.565 -2.562 -5.332 1.00 8.14 H new ATOM 0 HH22 ARG A 36 -11.973 -2.467 -6.394 1.00 8.14 H new ATOM 538 N THR A 37 -6.398 -8.908 -3.103 1.00 0.80 N ATOM 539 CA THR A 37 -5.611 -9.951 -2.420 1.00 0.80 C ATOM 540 C THR A 37 -6.563 -11.037 -1.908 1.00 0.85 C ATOM 541 O THR A 37 -7.686 -10.683 -1.536 1.00 0.87 O ATOM 542 CB THR A 37 -4.788 -9.342 -1.287 1.00 0.80 C ATOM 543 OG1 THR A 37 -3.973 -10.355 -0.776 1.00 0.78 O ATOM 544 CG2 THR A 37 -5.585 -8.740 -0.129 1.00 0.78 C ATOM 0 H THR A 37 -7.281 -8.710 -2.632 1.00 0.80 H new ATOM 0 HA THR A 37 -4.908 -10.404 -3.119 1.00 0.80 H new ATOM 0 HB THR A 37 -4.242 -8.506 -1.723 1.00 0.80 H new ATOM 0 HG1 THR A 37 -3.249 -10.544 -1.410 1.00 0.78 H new ATOM 0 HG21 THR A 37 -4.898 -8.338 0.615 1.00 0.78 H new ATOM 0 HG22 THR A 37 -6.223 -7.939 -0.504 1.00 0.78 H new ATOM 0 HG23 THR A 37 -6.203 -9.513 0.328 1.00 0.78 H new ATOM 552 N PRO A 38 -6.173 -12.328 -1.846 1.00 0.95 N ATOM 553 CA PRO A 38 -7.018 -13.354 -1.247 1.00 1.04 C ATOM 554 C PRO A 38 -7.146 -13.207 0.271 1.00 1.06 C ATOM 555 O PRO A 38 -8.122 -13.695 0.831 1.00 1.24 O ATOM 556 CB PRO A 38 -6.356 -14.680 -1.611 1.00 1.16 C ATOM 557 CG PRO A 38 -4.885 -14.337 -1.801 1.00 1.13 C ATOM 558 CD PRO A 38 -4.953 -12.926 -2.377 1.00 1.03 C ATOM 0 HA PRO A 38 -8.038 -13.278 -1.623 1.00 1.04 H new ATOM 0 HB2 PRO A 38 -6.492 -15.420 -0.822 1.00 1.16 H new ATOM 0 HB3 PRO A 38 -6.785 -15.101 -2.520 1.00 1.16 H new ATOM 0 HG2 PRO A 38 -4.336 -14.366 -0.860 1.00 1.13 H new ATOM 0 HG3 PRO A 38 -4.390 -15.031 -2.481 1.00 1.13 H new ATOM 0 HD2 PRO A 38 -4.077 -12.345 -2.088 1.00 1.03 H new ATOM 0 HD3 PRO A 38 -4.974 -12.951 -3.467 1.00 1.03 H new ATOM 566 N VAL A 39 -6.189 -12.549 0.933 1.00 0.94 N ATOM 567 CA VAL A 39 -6.090 -12.533 2.409 1.00 0.94 C ATOM 568 C VAL A 39 -6.981 -11.500 3.118 1.00 0.90 C ATOM 569 O VAL A 39 -6.891 -11.384 4.338 1.00 0.94 O ATOM 570 CB VAL A 39 -4.622 -12.433 2.907 1.00 0.94 C ATOM 571 CG1 VAL A 39 -3.732 -13.475 2.208 1.00 1.06 C ATOM 572 CG2 VAL A 39 -4.018 -11.030 2.742 1.00 0.89 C ATOM 0 H VAL A 39 -5.458 -12.011 0.468 1.00 0.94 H new ATOM 0 HA VAL A 39 -6.490 -13.505 2.698 1.00 0.94 H new ATOM 0 HB VAL A 39 -4.654 -12.641 3.977 1.00 0.94 H new ATOM 0 HG11 VAL A 39 -2.709 -13.384 2.574 1.00 1.06 H new ATOM 0 HG12 VAL A 39 -4.107 -14.476 2.422 1.00 1.06 H new ATOM 0 HG13 VAL A 39 -3.749 -13.304 1.132 1.00 1.06 H new ATOM 0 HG21 VAL A 39 -2.992 -11.030 3.109 1.00 0.89 H new ATOM 0 HG22 VAL A 39 -4.026 -10.752 1.688 1.00 0.89 H new ATOM 0 HG23 VAL A 39 -4.607 -10.311 3.311 1.00 0.89 H new ATOM 582 N ALA A 40 -7.854 -10.767 2.414 1.00 0.93 N ATOM 583 CA ALA A 40 -8.666 -9.701 3.018 1.00 0.89 C ATOM 584 C ALA A 40 -10.129 -9.710 2.542 1.00 1.20 C ATOM 585 O ALA A 40 -10.413 -10.046 1.390 1.00 1.42 O ATOM 586 CB ALA A 40 -7.972 -8.365 2.725 1.00 0.94 C ATOM 0 H ALA A 40 -8.017 -10.895 1.415 1.00 0.93 H new ATOM 0 HA ALA A 40 -8.730 -9.866 4.094 1.00 0.89 H new ATOM 0 HB1 ALA A 40 -8.551 -7.551 3.161 1.00 0.94 H new ATOM 0 HB2 ALA A 40 -6.972 -8.372 3.158 1.00 0.94 H new ATOM 0 HB3 ALA A 40 -7.899 -8.222 1.647 1.00 0.94 H new ATOM 592 N GLU A 41 -11.065 -9.340 3.425 1.00 1.43 N ATOM 593 CA GLU A 41 -12.459 -8.987 3.107 1.00 1.78 C ATOM 594 C GLU A 41 -12.478 -7.828 2.112 1.00 1.56 C ATOM 595 O GLU A 41 -13.084 -7.935 1.046 1.00 2.34 O ATOM 596 CB GLU A 41 -13.209 -8.660 4.418 1.00 1.95 C ATOM 597 CG GLU A 41 -14.558 -7.908 4.304 1.00 2.77 C ATOM 598 CD GLU A 41 -14.479 -6.391 4.559 1.00 5.17 C ATOM 599 OE1 GLU A 41 -13.560 -5.931 5.265 1.00 6.56 O ATOM 600 OE2 GLU A 41 -15.355 -5.643 4.069 1.00 6.24 O ATOM 0 H GLU A 41 -10.866 -9.275 4.423 1.00 1.43 H new ATOM 0 HA GLU A 41 -12.973 -9.824 2.634 1.00 1.78 H new ATOM 0 HB2 GLU A 41 -13.390 -9.597 4.944 1.00 1.95 H new ATOM 0 HB3 GLU A 41 -12.545 -8.066 5.046 1.00 1.95 H new ATOM 0 HG2 GLU A 41 -14.966 -8.073 3.307 1.00 2.77 H new ATOM 0 HG3 GLU A 41 -15.262 -8.345 5.013 1.00 2.77 H new ATOM 607 N ARG A 42 -11.728 -6.778 2.444 1.00 0.94 N ATOM 608 CA ARG A 42 -11.624 -5.537 1.694 1.00 0.96 C ATOM 609 C ARG A 42 -10.196 -5.011 1.794 1.00 0.90 C ATOM 610 O ARG A 42 -9.467 -5.305 2.740 1.00 1.25 O ATOM 611 CB ARG A 42 -12.615 -4.560 2.320 1.00 1.01 C ATOM 612 CG ARG A 42 -12.913 -3.251 1.571 1.00 1.30 C ATOM 613 CD ARG A 42 -13.492 -2.215 2.546 1.00 1.40 C ATOM 614 NE ARG A 42 -14.436 -2.818 3.502 1.00 2.02 N ATOM 615 CZ ARG A 42 -14.592 -2.444 4.758 1.00 2.99 C ATOM 616 NH1 ARG A 42 -14.119 -1.307 5.230 1.00 3.29 N ATOM 617 NH2 ARG A 42 -15.224 -3.279 5.548 1.00 4.42 N ATOM 0 H ARG A 42 -11.150 -6.774 3.285 1.00 0.94 H new ATOM 0 HA ARG A 42 -11.853 -5.677 0.638 1.00 0.96 H new ATOM 0 HB2 ARG A 42 -13.559 -5.087 2.460 1.00 1.01 H new ATOM 0 HB3 ARG A 42 -12.245 -4.300 3.312 1.00 1.01 H new ATOM 0 HG2 ARG A 42 -12.001 -2.866 1.116 1.00 1.30 H new ATOM 0 HG3 ARG A 42 -13.619 -3.437 0.762 1.00 1.30 H new ATOM 0 HD2 ARG A 42 -12.678 -1.739 3.093 1.00 1.40 H new ATOM 0 HD3 ARG A 42 -13.999 -1.432 1.982 1.00 1.40 H new ATOM 0 HE ARG A 42 -15.016 -3.587 3.166 1.00 2.02 H new ATOM 0 HH11 ARG A 42 -13.607 -0.673 4.616 1.00 3.29 H new ATOM 0 HH12 ARG A 42 -14.265 -1.061 6.209 1.00 3.29 H new ATOM 0 HH21 ARG A 42 -15.567 -4.167 5.182 1.00 4.42 H new ATOM 0 HH22 ARG A 42 -15.372 -3.040 6.529 1.00 4.42 H new ATOM 631 N VAL A 43 -9.815 -4.223 0.799 1.00 0.67 N ATOM 632 CA VAL A 43 -8.528 -3.538 0.713 1.00 0.68 C ATOM 633 C VAL A 43 -8.778 -2.086 0.301 1.00 0.70 C ATOM 634 O VAL A 43 -9.516 -1.834 -0.652 1.00 0.90 O ATOM 635 CB VAL A 43 -7.540 -4.297 -0.203 1.00 0.95 C ATOM 636 CG1 VAL A 43 -8.070 -4.543 -1.624 1.00 1.22 C ATOM 637 CG2 VAL A 43 -6.181 -3.593 -0.286 1.00 1.00 C ATOM 0 H VAL A 43 -10.416 -4.034 -0.003 1.00 0.67 H new ATOM 0 HA VAL A 43 -8.036 -3.525 1.686 1.00 0.68 H new ATOM 0 HB VAL A 43 -7.420 -5.270 0.273 1.00 0.95 H new ATOM 0 HG11 VAL A 43 -7.320 -5.080 -2.204 1.00 1.22 H new ATOM 0 HG12 VAL A 43 -8.983 -5.136 -1.574 1.00 1.22 H new ATOM 0 HG13 VAL A 43 -8.284 -3.588 -2.103 1.00 1.22 H new ATOM 0 HG21 VAL A 43 -5.517 -4.159 -0.939 1.00 1.00 H new ATOM 0 HG22 VAL A 43 -6.315 -2.589 -0.688 1.00 1.00 H new ATOM 0 HG23 VAL A 43 -5.743 -3.530 0.710 1.00 1.00 H new ATOM 647 N GLU A 44 -8.203 -1.153 1.061 1.00 0.65 N ATOM 648 CA GLU A 44 -8.364 0.300 0.913 1.00 0.68 C ATOM 649 C GLU A 44 -6.970 0.938 0.904 1.00 0.66 C ATOM 650 O GLU A 44 -6.217 0.713 1.850 1.00 0.68 O ATOM 651 CB GLU A 44 -9.142 0.885 2.114 1.00 0.77 C ATOM 652 CG GLU A 44 -10.574 0.364 2.321 1.00 0.92 C ATOM 653 CD GLU A 44 -11.253 0.946 3.575 1.00 1.20 C ATOM 654 OE1 GLU A 44 -10.697 1.903 4.172 1.00 1.98 O ATOM 655 OE2 GLU A 44 -12.337 0.420 3.925 1.00 2.08 O ATOM 0 H GLU A 44 -7.583 -1.398 1.833 1.00 0.65 H new ATOM 0 HA GLU A 44 -8.909 0.505 -0.008 1.00 0.68 H new ATOM 0 HB2 GLU A 44 -8.571 0.685 3.021 1.00 0.77 H new ATOM 0 HB3 GLU A 44 -9.186 1.968 1.998 1.00 0.77 H new ATOM 0 HG2 GLU A 44 -11.173 0.608 1.444 1.00 0.92 H new ATOM 0 HG3 GLU A 44 -10.551 -0.723 2.399 1.00 0.92 H new ATOM 662 N LEU A 45 -6.592 1.722 -0.117 1.00 0.65 N ATOM 663 CA LEU A 45 -5.343 2.472 -0.088 1.00 0.65 C ATOM 664 C LEU A 45 -5.492 3.754 0.735 1.00 0.62 C ATOM 665 O LEU A 45 -6.292 4.635 0.414 1.00 0.62 O ATOM 666 CB LEU A 45 -4.869 2.728 -1.526 1.00 0.69 C ATOM 667 CG LEU A 45 -3.377 3.106 -1.554 1.00 0.73 C ATOM 668 CD1 LEU A 45 -2.778 2.746 -2.903 1.00 0.69 C ATOM 669 CD2 LEU A 45 -3.114 4.598 -1.377 1.00 0.83 C ATOM 0 H LEU A 45 -7.138 1.848 -0.969 1.00 0.65 H new ATOM 0 HA LEU A 45 -4.571 1.887 0.412 1.00 0.65 H new ATOM 0 HB2 LEU A 45 -5.034 1.837 -2.131 1.00 0.69 H new ATOM 0 HB3 LEU A 45 -5.460 3.529 -1.971 1.00 0.69 H new ATOM 0 HG LEU A 45 -2.933 2.559 -0.722 1.00 0.73 H new ATOM 0 HD11 LEU A 45 -1.722 3.016 -2.916 1.00 0.69 H new ATOM 0 HD12 LEU A 45 -2.880 1.674 -3.072 1.00 0.69 H new ATOM 0 HD13 LEU A 45 -3.301 3.289 -3.690 1.00 0.69 H new ATOM 0 HD21 LEU A 45 -2.041 4.784 -1.408 1.00 0.83 H new ATOM 0 HD22 LEU A 45 -3.602 5.151 -2.180 1.00 0.83 H new ATOM 0 HD23 LEU A 45 -3.512 4.926 -0.417 1.00 0.83 H new ATOM 681 N HIS A 46 -4.686 3.846 1.784 1.00 0.63 N ATOM 682 CA HIS A 46 -4.573 4.990 2.679 1.00 0.63 C ATOM 683 C HIS A 46 -3.235 5.745 2.487 1.00 0.67 C ATOM 684 O HIS A 46 -2.239 5.180 2.019 1.00 0.68 O ATOM 685 CB HIS A 46 -4.745 4.515 4.141 1.00 0.67 C ATOM 686 CG HIS A 46 -6.112 4.057 4.625 1.00 0.71 C ATOM 687 ND1 HIS A 46 -6.530 4.121 5.958 1.00 0.78 N ATOM 688 CD2 HIS A 46 -7.140 3.516 3.899 1.00 0.74 C ATOM 689 CE1 HIS A 46 -7.754 3.569 5.999 1.00 0.84 C ATOM 690 NE2 HIS A 46 -8.149 3.185 4.775 1.00 0.81 N ATOM 0 H HIS A 46 -4.060 3.085 2.047 1.00 0.63 H new ATOM 0 HA HIS A 46 -5.365 5.699 2.437 1.00 0.63 H new ATOM 0 HB2 HIS A 46 -4.049 3.691 4.300 1.00 0.67 H new ATOM 0 HB3 HIS A 46 -4.426 5.331 4.789 1.00 0.67 H new ATOM 0 HD2 HIS A 46 -7.156 3.374 2.828 1.00 0.74 H new ATOM 0 HE1 HIS A 46 -8.342 3.450 6.897 1.00 0.84 H new ATOM 0 HE2 HIS A 46 -9.032 2.732 4.538 1.00 0.81 H new ATOM 698 N GLU A 47 -3.215 7.019 2.881 1.00 0.71 N ATOM 699 CA GLU A 47 -2.026 7.878 2.962 1.00 0.76 C ATOM 700 C GLU A 47 -1.659 8.208 4.420 1.00 0.67 C ATOM 701 O GLU A 47 -2.342 7.773 5.352 1.00 0.72 O ATOM 702 CB GLU A 47 -2.244 9.167 2.145 1.00 0.89 C ATOM 703 CG GLU A 47 -3.284 10.123 2.756 1.00 0.87 C ATOM 704 CD GLU A 47 -3.313 11.499 2.088 1.00 1.21 C ATOM 705 OE1 GLU A 47 -2.670 11.671 1.026 1.00 2.44 O ATOM 706 OE2 GLU A 47 -3.977 12.375 2.684 1.00 1.54 O ATOM 0 H GLU A 47 -4.065 7.505 3.166 1.00 0.71 H new ATOM 0 HA GLU A 47 -1.187 7.329 2.535 1.00 0.76 H new ATOM 0 HB2 GLU A 47 -1.293 9.692 2.052 1.00 0.89 H new ATOM 0 HB3 GLU A 47 -2.560 8.898 1.137 1.00 0.89 H new ATOM 0 HG2 GLU A 47 -4.272 9.670 2.679 1.00 0.87 H new ATOM 0 HG3 GLU A 47 -3.072 10.248 3.818 1.00 0.87 H new ATOM 713 N THR A 48 -0.614 9.029 4.602 1.00 0.71 N ATOM 714 CA THR A 48 -0.398 9.838 5.811 1.00 0.72 C ATOM 715 C THR A 48 -0.288 11.296 5.394 1.00 0.96 C ATOM 716 O THR A 48 0.623 11.644 4.645 1.00 1.21 O ATOM 717 CB THR A 48 0.882 9.450 6.549 1.00 1.07 C ATOM 718 OG1 THR A 48 0.794 8.100 6.907 1.00 1.30 O ATOM 719 CG2 THR A 48 1.085 10.247 7.840 1.00 1.42 C ATOM 0 H THR A 48 0.117 9.152 3.901 1.00 0.71 H new ATOM 0 HA THR A 48 -1.237 9.668 6.485 1.00 0.72 H new ATOM 0 HB THR A 48 1.717 9.657 5.879 1.00 1.07 H new ATOM 0 HG1 THR A 48 0.729 7.551 6.098 1.00 1.30 H new ATOM 0 HG21 THR A 48 2.010 9.929 8.322 1.00 1.42 H new ATOM 0 HG22 THR A 48 1.144 11.310 7.606 1.00 1.42 H new ATOM 0 HG23 THR A 48 0.246 10.070 8.513 1.00 1.42 H new ATOM 727 N PHE A 49 -1.174 12.135 5.924 1.00 1.10 N ATOM 728 CA PHE A 49 -1.143 13.585 5.769 1.00 1.22 C ATOM 729 C PHE A 49 -0.551 14.265 7.012 1.00 1.14 C ATOM 730 O PHE A 49 -0.476 13.690 8.100 1.00 1.15 O ATOM 731 CB PHE A 49 -2.564 14.102 5.476 1.00 1.25 C ATOM 732 CG PHE A 49 -3.601 13.787 6.542 1.00 1.13 C ATOM 733 CD1 PHE A 49 -3.706 14.588 7.694 1.00 2.02 C ATOM 734 CD2 PHE A 49 -4.450 12.675 6.390 1.00 2.27 C ATOM 735 CE1 PHE A 49 -4.636 14.273 8.697 1.00 2.07 C ATOM 736 CE2 PHE A 49 -5.379 12.353 7.393 1.00 2.31 C ATOM 737 CZ PHE A 49 -5.470 13.152 8.546 1.00 1.30 C ATOM 0 H PHE A 49 -1.958 11.813 6.491 1.00 1.10 H new ATOM 0 HA PHE A 49 -0.496 13.835 4.928 1.00 1.22 H new ATOM 0 HB2 PHE A 49 -2.520 15.183 5.343 1.00 1.25 H new ATOM 0 HB3 PHE A 49 -2.899 13.678 4.529 1.00 1.25 H new ATOM 0 HD1 PHE A 49 -3.067 15.451 7.807 1.00 2.02 H new ATOM 0 HD2 PHE A 49 -4.387 12.067 5.499 1.00 2.27 H new ATOM 0 HE1 PHE A 49 -4.710 14.889 9.581 1.00 2.07 H new ATOM 0 HE2 PHE A 49 -6.022 11.493 7.279 1.00 2.31 H new ATOM 0 HZ PHE A 49 -6.183 12.904 9.318 1.00 1.30 H new ATOM 747 N MET A 50 -0.202 15.544 6.854 1.00 1.25 N ATOM 748 CA MET A 50 0.058 16.475 7.953 1.00 1.20 C ATOM 749 C MET A 50 -0.750 17.755 7.731 1.00 1.21 C ATOM 750 O MET A 50 -0.796 18.280 6.622 1.00 1.63 O ATOM 751 CB MET A 50 1.560 16.765 8.056 1.00 1.39 C ATOM 752 CG MET A 50 2.263 15.628 8.803 1.00 2.65 C ATOM 753 SD MET A 50 4.063 15.762 8.850 1.00 3.27 S ATOM 754 CE MET A 50 4.440 15.099 7.208 1.00 3.80 C ATOM 0 H MET A 50 -0.090 15.971 5.935 1.00 1.25 H new ATOM 0 HA MET A 50 -0.254 16.031 8.898 1.00 1.20 H new ATOM 0 HB2 MET A 50 1.987 16.875 7.059 1.00 1.39 H new ATOM 0 HB3 MET A 50 1.722 17.708 8.577 1.00 1.39 H new ATOM 0 HG2 MET A 50 1.887 15.595 9.826 1.00 2.65 H new ATOM 0 HG3 MET A 50 1.994 14.681 8.334 1.00 2.65 H new ATOM 0 HE1 MET A 50 5.519 15.103 7.053 1.00 3.80 H new ATOM 0 HE2 MET A 50 4.066 14.078 7.133 1.00 3.80 H new ATOM 0 HE3 MET A 50 3.962 15.717 6.448 1.00 3.80 H new ATOM 764 N ARG A 51 -1.402 18.245 8.789 1.00 1.08 N ATOM 765 CA ARG A 51 -2.417 19.305 8.729 1.00 1.21 C ATOM 766 C ARG A 51 -2.472 20.080 10.055 1.00 1.24 C ATOM 767 O ARG A 51 -2.278 19.490 11.121 1.00 1.33 O ATOM 768 CB ARG A 51 -3.762 18.640 8.360 1.00 1.36 C ATOM 769 CG ARG A 51 -4.968 19.590 8.226 1.00 2.51 C ATOM 770 CD ARG A 51 -5.991 19.372 9.350 1.00 3.32 C ATOM 771 NE ARG A 51 -6.997 20.449 9.398 1.00 4.74 N ATOM 772 CZ ARG A 51 -8.135 20.546 8.717 1.00 5.70 C ATOM 773 NH1 ARG A 51 -8.480 19.651 7.811 1.00 5.70 N ATOM 774 NH2 ARG A 51 -8.954 21.554 8.943 1.00 7.08 N ATOM 0 H ARG A 51 -1.235 17.908 9.737 1.00 1.08 H new ATOM 0 HA ARG A 51 -2.171 20.046 7.968 1.00 1.21 H new ATOM 0 HB2 ARG A 51 -3.636 18.109 7.417 1.00 1.36 H new ATOM 0 HB3 ARG A 51 -3.996 17.892 9.118 1.00 1.36 H new ATOM 0 HG2 ARG A 51 -4.621 20.623 8.245 1.00 2.51 H new ATOM 0 HG3 ARG A 51 -5.449 19.433 7.261 1.00 2.51 H new ATOM 0 HD2 ARG A 51 -6.491 18.415 9.204 1.00 3.32 H new ATOM 0 HD3 ARG A 51 -5.472 19.318 10.307 1.00 3.32 H new ATOM 0 HE ARG A 51 -6.794 21.219 10.036 1.00 4.74 H new ATOM 0 HH11 ARG A 51 -7.867 18.859 7.618 1.00 5.70 H new ATOM 0 HH12 ARG A 51 -9.359 19.751 7.304 1.00 5.70 H new ATOM 0 HH21 ARG A 51 -8.715 22.259 9.640 1.00 7.08 H new ATOM 0 HH22 ARG A 51 -9.827 21.629 8.421 1.00 7.08 H new ATOM 788 N GLU A 52 -2.753 21.382 10.003 1.00 1.28 N ATOM 789 CA GLU A 52 -2.933 22.194 11.209 1.00 1.29 C ATOM 790 C GLU A 52 -4.286 21.910 11.863 1.00 1.24 C ATOM 791 O GLU A 52 -5.310 21.816 11.184 1.00 1.43 O ATOM 792 CB GLU A 52 -2.767 23.703 10.941 1.00 1.55 C ATOM 793 CG GLU A 52 -1.380 24.217 11.334 1.00 1.83 C ATOM 794 CD GLU A 52 -0.252 23.701 10.451 1.00 2.49 C ATOM 795 OE1 GLU A 52 0.045 22.485 10.492 1.00 2.79 O ATOM 796 OE2 GLU A 52 0.401 24.505 9.758 1.00 3.57 O ATOM 0 H GLU A 52 -2.862 21.901 9.132 1.00 1.28 H new ATOM 0 HA GLU A 52 -2.140 21.905 11.899 1.00 1.29 H new ATOM 0 HB2 GLU A 52 -2.939 23.902 9.883 1.00 1.55 H new ATOM 0 HB3 GLU A 52 -3.526 24.253 11.497 1.00 1.55 H new ATOM 0 HG2 GLU A 52 -1.385 25.306 11.299 1.00 1.83 H new ATOM 0 HG3 GLU A 52 -1.178 23.932 12.367 1.00 1.83 H new ATOM 803 N VAL A 53 -4.267 21.791 13.188 1.00 1.20 N ATOM 804 CA VAL A 53 -5.457 21.639 14.040 1.00 1.37 C ATOM 805 C VAL A 53 -5.383 22.717 15.121 1.00 1.55 C ATOM 806 O VAL A 53 -5.717 23.871 14.866 1.00 2.46 O ATOM 807 CB VAL A 53 -5.628 20.187 14.562 1.00 1.49 C ATOM 808 CG1 VAL A 53 -6.946 20.025 15.341 1.00 1.88 C ATOM 809 CG2 VAL A 53 -5.628 19.161 13.411 1.00 2.31 C ATOM 0 H VAL A 53 -3.398 21.797 13.721 1.00 1.20 H new ATOM 0 HA VAL A 53 -6.373 21.794 13.470 1.00 1.37 H new ATOM 0 HB VAL A 53 -4.779 19.999 15.219 1.00 1.49 H new ATOM 0 HG11 VAL A 53 -7.036 18.998 15.693 1.00 1.88 H new ATOM 0 HG12 VAL A 53 -6.950 20.703 16.194 1.00 1.88 H new ATOM 0 HG13 VAL A 53 -7.786 20.260 14.687 1.00 1.88 H new ATOM 0 HG21 VAL A 53 -5.750 18.157 13.818 1.00 2.31 H new ATOM 0 HG22 VAL A 53 -6.451 19.379 12.730 1.00 2.31 H new ATOM 0 HG23 VAL A 53 -4.684 19.221 12.870 1.00 2.31 H new ATOM 819 N GLU A 54 -4.851 22.362 16.284 1.00 1.84 N ATOM 820 CA GLU A 54 -4.431 23.304 17.328 1.00 2.06 C ATOM 821 C GLU A 54 -3.056 23.885 16.939 1.00 2.13 C ATOM 822 O GLU A 54 -2.007 23.429 17.396 1.00 2.94 O ATOM 823 CB GLU A 54 -4.500 22.602 18.700 1.00 2.24 C ATOM 824 CG GLU A 54 -4.447 23.558 19.902 1.00 2.70 C ATOM 825 CD GLU A 54 -3.019 23.975 20.222 1.00 3.34 C ATOM 826 OE1 GLU A 54 -2.274 23.156 20.804 1.00 3.94 O ATOM 827 OE2 GLU A 54 -2.591 25.067 19.789 1.00 4.18 O ATOM 0 H GLU A 54 -4.693 21.387 16.539 1.00 1.84 H new ATOM 0 HA GLU A 54 -5.098 24.161 17.416 1.00 2.06 H new ATOM 0 HB2 GLU A 54 -5.421 22.022 18.752 1.00 2.24 H new ATOM 0 HB3 GLU A 54 -3.673 21.895 18.776 1.00 2.24 H new ATOM 0 HG2 GLU A 54 -5.047 24.443 19.690 1.00 2.70 H new ATOM 0 HG3 GLU A 54 -4.889 23.074 20.773 1.00 2.70 H new ATOM 834 N GLY A 55 -3.078 24.800 15.957 1.00 1.56 N ATOM 835 CA GLY A 55 -1.976 25.642 15.450 1.00 1.49 C ATOM 836 C GLY A 55 -0.740 24.940 14.870 1.00 1.67 C ATOM 837 O GLY A 55 0.104 25.586 14.259 1.00 2.05 O ATOM 0 H GLY A 55 -3.943 24.988 15.451 1.00 1.56 H new ATOM 0 HA2 GLY A 55 -2.383 26.294 14.677 1.00 1.49 H new ATOM 0 HA3 GLY A 55 -1.643 26.283 16.266 1.00 1.49 H new ATOM 841 N LYS A 56 -0.610 23.630 15.062 1.00 1.89 N ATOM 842 CA LYS A 56 0.569 22.825 14.773 1.00 2.41 C ATOM 843 C LYS A 56 0.222 21.661 13.831 1.00 2.06 C ATOM 844 O LYS A 56 -0.916 21.179 13.814 1.00 1.58 O ATOM 845 CB LYS A 56 1.089 22.316 16.129 1.00 2.94 C ATOM 846 CG LYS A 56 1.713 23.450 16.967 1.00 3.89 C ATOM 847 CD LYS A 56 2.014 23.048 18.420 1.00 4.33 C ATOM 848 CE LYS A 56 0.766 22.790 19.282 1.00 3.88 C ATOM 849 NZ LYS A 56 -0.110 23.976 19.409 1.00 4.42 N ATOM 0 H LYS A 56 -1.371 23.071 15.446 1.00 1.89 H new ATOM 0 HA LYS A 56 1.333 23.411 14.262 1.00 2.41 H new ATOM 0 HB2 LYS A 56 0.269 21.862 16.685 1.00 2.94 H new ATOM 0 HB3 LYS A 56 1.832 21.536 15.963 1.00 2.94 H new ATOM 0 HG2 LYS A 56 2.637 23.776 16.490 1.00 3.89 H new ATOM 0 HG3 LYS A 56 1.036 24.304 16.968 1.00 3.89 H new ATOM 0 HD2 LYS A 56 2.629 22.148 18.415 1.00 4.33 H new ATOM 0 HD3 LYS A 56 2.606 23.836 18.886 1.00 4.33 H new ATOM 0 HE2 LYS A 56 0.195 21.970 18.847 1.00 3.88 H new ATOM 0 HE3 LYS A 56 1.079 22.469 20.276 1.00 3.88 H new ATOM 0 HZ1 LYS A 56 -0.678 23.897 20.277 1.00 4.42 H new ATOM 0 HZ2 LYS A 56 0.474 24.836 19.454 1.00 4.42 H new ATOM 0 HZ3 LYS A 56 -0.743 24.030 18.585 1.00 4.42 H new ATOM 863 N LYS A 57 1.205 21.183 13.060 1.00 2.42 N ATOM 864 CA LYS A 57 1.014 20.079 12.106 1.00 2.23 C ATOM 865 C LYS A 57 0.803 18.734 12.814 1.00 1.95 C ATOM 866 O LYS A 57 1.759 18.072 13.205 1.00 2.68 O ATOM 867 CB LYS A 57 2.099 20.024 11.006 1.00 2.85 C ATOM 868 CG LYS A 57 3.542 20.438 11.367 1.00 2.99 C ATOM 869 CD LYS A 57 4.198 21.354 10.315 1.00 3.64 C ATOM 870 CE LYS A 57 3.602 22.777 10.274 1.00 3.63 C ATOM 871 NZ LYS A 57 2.475 22.925 9.323 1.00 4.31 N ATOM 0 H LYS A 57 2.157 21.549 13.078 1.00 2.42 H new ATOM 0 HA LYS A 57 0.087 20.295 11.574 1.00 2.23 H new ATOM 0 HB2 LYS A 57 2.133 19.003 10.626 1.00 2.85 H new ATOM 0 HB3 LYS A 57 1.769 20.659 10.184 1.00 2.85 H new ATOM 0 HG2 LYS A 57 3.535 20.949 12.330 1.00 2.99 H new ATOM 0 HG3 LYS A 57 4.150 19.541 11.487 1.00 2.99 H new ATOM 0 HD2 LYS A 57 5.266 21.423 10.521 1.00 3.64 H new ATOM 0 HD3 LYS A 57 4.092 20.897 9.331 1.00 3.64 H new ATOM 0 HE2 LYS A 57 3.260 23.047 11.273 1.00 3.63 H new ATOM 0 HE3 LYS A 57 4.388 23.483 10.005 1.00 3.63 H new ATOM 0 HZ1 LYS A 57 2.236 23.932 9.222 1.00 4.31 H new ATOM 0 HZ2 LYS A 57 2.749 22.539 8.397 1.00 4.31 H new ATOM 0 HZ3 LYS A 57 1.647 22.408 9.682 1.00 4.31 H new ATOM 885 N VAL A 58 -0.463 18.347 12.951 1.00 1.21 N ATOM 886 CA VAL A 58 -0.899 17.019 13.393 1.00 1.08 C ATOM 887 C VAL A 58 -0.803 16.071 12.196 1.00 1.00 C ATOM 888 O VAL A 58 -1.253 16.417 11.103 1.00 1.16 O ATOM 889 CB VAL A 58 -2.341 17.066 13.948 1.00 1.13 C ATOM 890 CG1 VAL A 58 -2.870 15.676 14.335 1.00 1.35 C ATOM 891 CG2 VAL A 58 -2.425 17.988 15.179 1.00 1.48 C ATOM 0 H VAL A 58 -1.245 18.971 12.750 1.00 1.21 H new ATOM 0 HA VAL A 58 -0.260 16.666 14.202 1.00 1.08 H new ATOM 0 HB VAL A 58 -2.963 17.457 13.143 1.00 1.13 H new ATOM 0 HG11 VAL A 58 -3.886 15.767 14.719 1.00 1.35 H new ATOM 0 HG12 VAL A 58 -2.870 15.029 13.457 1.00 1.35 H new ATOM 0 HG13 VAL A 58 -2.229 15.244 15.104 1.00 1.35 H new ATOM 0 HG21 VAL A 58 -3.449 18.005 15.552 1.00 1.48 H new ATOM 0 HG22 VAL A 58 -1.761 17.615 15.959 1.00 1.48 H new ATOM 0 HG23 VAL A 58 -2.124 18.997 14.899 1.00 1.48 H new ATOM 901 N MET A 59 -0.210 14.894 12.400 1.00 1.05 N ATOM 902 CA MET A 59 -0.177 13.811 11.409 1.00 1.02 C ATOM 903 C MET A 59 -1.360 12.855 11.594 1.00 0.97 C ATOM 904 O MET A 59 -1.775 12.602 12.725 1.00 1.19 O ATOM 905 CB MET A 59 1.169 13.074 11.455 1.00 1.26 C ATOM 906 CG MET A 59 1.416 12.317 12.768 1.00 2.23 C ATOM 907 SD MET A 59 3.164 12.064 13.160 1.00 3.04 S ATOM 908 CE MET A 59 3.595 13.763 13.621 1.00 2.95 C ATOM 0 H MET A 59 0.269 14.660 13.270 1.00 1.05 H new ATOM 0 HA MET A 59 -0.276 14.251 10.417 1.00 1.02 H new ATOM 0 HB2 MET A 59 1.215 12.368 10.625 1.00 1.26 H new ATOM 0 HB3 MET A 59 1.973 13.795 11.305 1.00 1.26 H new ATOM 0 HG2 MET A 59 0.948 12.866 13.585 1.00 2.23 H new ATOM 0 HG3 MET A 59 0.923 11.346 12.713 1.00 2.23 H new ATOM 0 HE1 MET A 59 4.505 13.757 14.221 1.00 2.95 H new ATOM 0 HE2 MET A 59 3.758 14.354 12.720 1.00 2.95 H new ATOM 0 HE3 MET A 59 2.782 14.200 14.200 1.00 2.95 H new ATOM 918 N GLY A 60 -1.888 12.313 10.496 1.00 0.93 N ATOM 919 CA GLY A 60 -2.958 11.309 10.512 1.00 1.05 C ATOM 920 C GLY A 60 -3.064 10.531 9.204 1.00 0.90 C ATOM 921 O GLY A 60 -2.494 10.943 8.201 1.00 1.07 O ATOM 0 H GLY A 60 -1.581 12.561 9.555 1.00 0.93 H new ATOM 0 HA2 GLY A 60 -2.782 10.611 11.330 1.00 1.05 H new ATOM 0 HA3 GLY A 60 -3.909 11.802 10.713 1.00 1.05 H new ATOM 925 N MET A 61 -3.816 9.428 9.218 1.00 0.88 N ATOM 926 CA MET A 61 -3.998 8.527 8.070 1.00 0.81 C ATOM 927 C MET A 61 -5.467 8.464 7.635 1.00 0.90 C ATOM 928 O MET A 61 -6.369 8.606 8.462 1.00 1.18 O ATOM 929 CB MET A 61 -3.496 7.113 8.416 1.00 1.01 C ATOM 930 CG MET A 61 -1.999 7.054 8.747 1.00 1.17 C ATOM 931 SD MET A 61 -1.510 7.571 10.414 1.00 1.71 S ATOM 932 CE MET A 61 0.272 7.315 10.247 1.00 1.82 C ATOM 0 H MET A 61 -4.329 9.126 10.046 1.00 0.88 H new ATOM 0 HA MET A 61 -3.414 8.926 7.241 1.00 0.81 H new ATOM 0 HB2 MET A 61 -4.062 6.734 9.267 1.00 1.01 H new ATOM 0 HB3 MET A 61 -3.700 6.449 7.576 1.00 1.01 H new ATOM 0 HG2 MET A 61 -1.658 6.030 8.595 1.00 1.17 H new ATOM 0 HG3 MET A 61 -1.467 7.677 8.028 1.00 1.17 H new ATOM 0 HE1 MET A 61 0.700 7.089 11.224 1.00 1.82 H new ATOM 0 HE2 MET A 61 0.458 6.483 9.568 1.00 1.82 H new ATOM 0 HE3 MET A 61 0.734 8.218 9.849 1.00 1.82 H new ATOM 942 N ARG A 62 -5.715 8.216 6.343 1.00 0.78 N ATOM 943 CA ARG A 62 -7.053 8.051 5.746 1.00 0.92 C ATOM 944 C ARG A 62 -6.971 7.392 4.361 1.00 0.76 C ATOM 945 O ARG A 62 -5.946 7.565 3.699 1.00 0.65 O ATOM 946 CB ARG A 62 -7.776 9.407 5.581 1.00 1.10 C ATOM 947 CG ARG A 62 -8.661 9.794 6.779 1.00 2.38 C ATOM 948 CD ARG A 62 -9.827 10.699 6.353 1.00 3.07 C ATOM 949 NE ARG A 62 -10.865 9.953 5.613 1.00 4.32 N ATOM 950 CZ ARG A 62 -11.853 9.233 6.136 1.00 6.01 C ATOM 951 NH1 ARG A 62 -12.016 9.119 7.441 1.00 7.01 N ATOM 952 NH2 ARG A 62 -12.693 8.607 5.335 1.00 7.15 N ATOM 0 H ARG A 62 -4.966 8.121 5.658 1.00 0.78 H new ATOM 0 HA ARG A 62 -7.613 7.415 6.431 1.00 0.92 H new ATOM 0 HB2 ARG A 62 -7.031 10.188 5.425 1.00 1.10 H new ATOM 0 HB3 ARG A 62 -8.393 9.371 4.683 1.00 1.10 H new ATOM 0 HG2 ARG A 62 -9.053 8.892 7.249 1.00 2.38 H new ATOM 0 HG3 ARG A 62 -8.057 10.306 7.528 1.00 2.38 H new ATOM 0 HD2 ARG A 62 -10.271 11.158 7.236 1.00 3.07 H new ATOM 0 HD3 ARG A 62 -9.448 11.509 5.729 1.00 3.07 H new ATOM 0 HE ARG A 62 -10.819 9.994 4.595 1.00 4.32 H new ATOM 0 HH11 ARG A 62 -11.374 9.591 8.078 1.00 7.01 H new ATOM 0 HH12 ARG A 62 -12.784 8.559 7.812 1.00 7.01 H new ATOM 0 HH21 ARG A 62 -12.582 8.677 4.324 1.00 7.15 H new ATOM 0 HH22 ARG A 62 -13.454 8.052 5.727 1.00 7.15 H new ATOM 966 N PRO A 63 -8.047 6.722 3.888 1.00 0.78 N ATOM 967 CA PRO A 63 -8.142 6.265 2.511 1.00 0.70 C ATOM 968 C PRO A 63 -8.183 7.448 1.546 1.00 0.68 C ATOM 969 O PRO A 63 -8.795 8.475 1.848 1.00 0.77 O ATOM 970 CB PRO A 63 -9.379 5.380 2.394 1.00 0.73 C ATOM 971 CG PRO A 63 -10.211 5.734 3.615 1.00 0.84 C ATOM 972 CD PRO A 63 -9.270 6.413 4.612 1.00 0.88 C ATOM 0 HA PRO A 63 -7.261 5.684 2.239 1.00 0.70 H new ATOM 0 HB2 PRO A 63 -9.924 5.578 1.471 1.00 0.73 H new ATOM 0 HB3 PRO A 63 -9.113 4.323 2.387 1.00 0.73 H new ATOM 0 HG2 PRO A 63 -11.031 6.399 3.344 1.00 0.84 H new ATOM 0 HG3 PRO A 63 -10.656 4.840 4.051 1.00 0.84 H new ATOM 0 HD2 PRO A 63 -9.721 7.320 5.014 1.00 0.88 H new ATOM 0 HD3 PRO A 63 -9.064 5.757 5.458 1.00 0.88 H new ATOM 980 N VAL A 64 -7.537 7.262 0.393 1.00 0.62 N ATOM 981 CA VAL A 64 -7.446 8.231 -0.713 1.00 0.62 C ATOM 982 C VAL A 64 -8.061 7.647 -1.993 1.00 0.55 C ATOM 983 O VAL A 64 -8.108 6.424 -2.132 1.00 0.48 O ATOM 984 CB VAL A 64 -5.988 8.677 -1.003 1.00 0.66 C ATOM 985 CG1 VAL A 64 -5.650 9.895 -0.143 1.00 0.70 C ATOM 986 CG2 VAL A 64 -4.920 7.585 -0.816 1.00 0.69 C ATOM 0 H VAL A 64 -7.039 6.395 0.191 1.00 0.62 H new ATOM 0 HA VAL A 64 -8.006 9.111 -0.397 1.00 0.62 H new ATOM 0 HB VAL A 64 -5.958 8.921 -2.065 1.00 0.66 H new ATOM 0 HG11 VAL A 64 -4.626 10.210 -0.345 1.00 0.70 H new ATOM 0 HG12 VAL A 64 -6.334 10.710 -0.381 1.00 0.70 H new ATOM 0 HG13 VAL A 64 -5.748 9.635 0.911 1.00 0.70 H new ATOM 0 HG21 VAL A 64 -3.936 7.996 -1.043 1.00 0.69 H new ATOM 0 HG22 VAL A 64 -4.937 7.232 0.215 1.00 0.69 H new ATOM 0 HG23 VAL A 64 -5.129 6.753 -1.488 1.00 0.69 H new ATOM 996 N PRO A 65 -8.529 8.495 -2.933 1.00 0.62 N ATOM 997 CA PRO A 65 -9.129 8.035 -4.179 1.00 0.64 C ATOM 998 C PRO A 65 -8.107 7.391 -5.123 1.00 0.57 C ATOM 999 O PRO A 65 -8.512 6.575 -5.944 1.00 0.60 O ATOM 1000 CB PRO A 65 -9.769 9.277 -4.808 1.00 0.79 C ATOM 1001 CG PRO A 65 -8.905 10.421 -4.286 1.00 0.83 C ATOM 1002 CD PRO A 65 -8.554 9.954 -2.874 1.00 0.75 C ATOM 0 HA PRO A 65 -9.862 7.251 -3.989 1.00 0.64 H new ATOM 0 HB2 PRO A 65 -9.756 9.228 -5.897 1.00 0.79 H new ATOM 0 HB3 PRO A 65 -10.810 9.389 -4.506 1.00 0.79 H new ATOM 0 HG2 PRO A 65 -8.015 10.569 -4.897 1.00 0.83 H new ATOM 0 HG3 PRO A 65 -9.446 11.367 -4.278 1.00 0.83 H new ATOM 0 HD2 PRO A 65 -7.588 10.349 -2.560 1.00 0.75 H new ATOM 0 HD3 PRO A 65 -9.292 10.304 -2.152 1.00 0.75 H new ATOM 1010 N PHE A 66 -6.810 7.722 -5.000 1.00 0.51 N ATOM 1011 CA PHE A 66 -5.717 7.152 -5.783 1.00 0.48 C ATOM 1012 C PHE A 66 -4.359 7.645 -5.273 1.00 0.49 C ATOM 1013 O PHE A 66 -4.257 8.592 -4.497 1.00 0.58 O ATOM 1014 CB PHE A 66 -5.881 7.402 -7.302 1.00 0.51 C ATOM 1015 CG PHE A 66 -5.906 8.850 -7.751 1.00 0.54 C ATOM 1016 CD1 PHE A 66 -4.707 9.525 -8.048 1.00 1.57 C ATOM 1017 CD2 PHE A 66 -7.137 9.512 -7.919 1.00 1.72 C ATOM 1018 CE1 PHE A 66 -4.734 10.849 -8.509 1.00 1.65 C ATOM 1019 CE2 PHE A 66 -7.165 10.843 -8.372 1.00 1.71 C ATOM 1020 CZ PHE A 66 -5.964 11.511 -8.671 1.00 0.73 C ATOM 0 H PHE A 66 -6.490 8.419 -4.327 1.00 0.51 H new ATOM 0 HA PHE A 66 -5.757 6.072 -5.644 1.00 0.48 H new ATOM 0 HB2 PHE A 66 -5.065 6.898 -7.821 1.00 0.51 H new ATOM 0 HB3 PHE A 66 -6.807 6.928 -7.628 1.00 0.51 H new ATOM 0 HD1 PHE A 66 -3.761 9.020 -7.920 1.00 1.57 H new ATOM 0 HD2 PHE A 66 -8.061 8.997 -7.700 1.00 1.72 H new ATOM 0 HE1 PHE A 66 -3.811 11.360 -8.739 1.00 1.65 H new ATOM 0 HE2 PHE A 66 -8.110 11.353 -8.490 1.00 1.71 H new ATOM 0 HZ PHE A 66 -5.986 12.531 -9.025 1.00 0.73 H new ATOM 1030 N LEU A 67 -3.319 6.990 -5.782 1.00 0.47 N ATOM 1031 CA LEU A 67 -1.926 7.416 -5.790 1.00 0.50 C ATOM 1032 C LEU A 67 -1.438 7.531 -7.241 1.00 0.49 C ATOM 1033 O LEU A 67 -2.121 7.096 -8.170 1.00 0.49 O ATOM 1034 CB LEU A 67 -1.090 6.366 -5.025 1.00 0.57 C ATOM 1035 CG LEU A 67 -0.459 6.892 -3.731 1.00 0.61 C ATOM 1036 CD1 LEU A 67 0.358 5.735 -3.138 1.00 1.08 C ATOM 1037 CD2 LEU A 67 0.492 8.080 -3.967 1.00 0.86 C ATOM 0 H LEU A 67 -3.438 6.082 -6.232 1.00 0.47 H new ATOM 0 HA LEU A 67 -1.821 8.388 -5.308 1.00 0.50 H new ATOM 0 HB2 LEU A 67 -1.727 5.514 -4.786 1.00 0.57 H new ATOM 0 HB3 LEU A 67 -0.299 6.000 -5.680 1.00 0.57 H new ATOM 0 HG LEU A 67 -1.254 7.242 -3.073 1.00 0.61 H new ATOM 0 HD11 LEU A 67 0.830 6.060 -2.211 1.00 1.08 H new ATOM 0 HD12 LEU A 67 -0.301 4.892 -2.933 1.00 1.08 H new ATOM 0 HD13 LEU A 67 1.126 5.431 -3.849 1.00 1.08 H new ATOM 0 HD21 LEU A 67 0.908 8.408 -3.014 1.00 0.86 H new ATOM 0 HD22 LEU A 67 1.301 7.772 -4.629 1.00 0.86 H new ATOM 0 HD23 LEU A 67 -0.059 8.902 -4.425 1.00 0.86 H new ATOM 1049 N GLU A 68 -0.218 8.018 -7.447 1.00 0.57 N ATOM 1050 CA GLU A 68 0.436 8.026 -8.755 1.00 0.62 C ATOM 1051 C GLU A 68 1.940 7.785 -8.624 1.00 0.85 C ATOM 1052 O GLU A 68 2.483 7.776 -7.520 1.00 1.18 O ATOM 1053 CB GLU A 68 0.087 9.307 -9.533 1.00 0.96 C ATOM 1054 CG GLU A 68 0.660 10.590 -8.922 1.00 1.46 C ATOM 1055 CD GLU A 68 0.160 11.815 -9.691 1.00 1.99 C ATOM 1056 OE1 GLU A 68 -1.080 11.935 -9.829 1.00 2.10 O ATOM 1057 OE2 GLU A 68 1.020 12.584 -10.171 1.00 3.22 O ATOM 0 H GLU A 68 0.352 8.423 -6.704 1.00 0.57 H new ATOM 0 HA GLU A 68 0.051 7.194 -9.345 1.00 0.62 H new ATOM 0 HB2 GLU A 68 0.454 9.209 -10.555 1.00 0.96 H new ATOM 0 HB3 GLU A 68 -0.998 9.399 -9.591 1.00 0.96 H new ATOM 0 HG2 GLU A 68 0.366 10.665 -7.875 1.00 1.46 H new ATOM 0 HG3 GLU A 68 1.749 10.557 -8.946 1.00 1.46 H new ATOM 1064 N VAL A 69 2.591 7.538 -9.761 1.00 0.83 N ATOM 1065 CA VAL A 69 4.025 7.229 -9.867 1.00 0.95 C ATOM 1066 C VAL A 69 4.552 7.794 -11.193 1.00 0.94 C ATOM 1067 O VAL A 69 3.951 7.511 -12.232 1.00 0.85 O ATOM 1068 CB VAL A 69 4.309 5.702 -9.831 1.00 0.96 C ATOM 1069 CG1 VAL A 69 5.816 5.411 -9.775 1.00 1.12 C ATOM 1070 CG2 VAL A 69 3.635 4.958 -8.665 1.00 1.03 C ATOM 0 H VAL A 69 2.122 7.547 -10.667 1.00 0.83 H new ATOM 0 HA VAL A 69 4.525 7.680 -9.010 1.00 0.95 H new ATOM 0 HB VAL A 69 3.875 5.329 -10.759 1.00 0.96 H new ATOM 0 HG11 VAL A 69 5.978 4.333 -9.751 1.00 1.12 H new ATOM 0 HG12 VAL A 69 6.301 5.831 -10.656 1.00 1.12 H new ATOM 0 HG13 VAL A 69 6.241 5.862 -8.878 1.00 1.12 H new ATOM 0 HG21 VAL A 69 3.886 3.898 -8.716 1.00 1.03 H new ATOM 0 HG22 VAL A 69 3.987 5.369 -7.719 1.00 1.03 H new ATOM 0 HG23 VAL A 69 2.554 5.079 -8.733 1.00 1.03 H new ATOM 1080 N PRO A 70 5.658 8.560 -11.207 1.00 1.07 N ATOM 1081 CA PRO A 70 6.217 9.092 -12.441 1.00 1.07 C ATOM 1082 C PRO A 70 6.936 8.005 -13.263 1.00 0.93 C ATOM 1083 O PRO A 70 7.262 6.940 -12.735 1.00 0.90 O ATOM 1084 CB PRO A 70 7.169 10.206 -12.005 1.00 1.26 C ATOM 1085 CG PRO A 70 7.643 9.744 -10.627 1.00 1.32 C ATOM 1086 CD PRO A 70 6.417 9.030 -10.057 1.00 1.25 C ATOM 0 HA PRO A 70 5.438 9.470 -13.103 1.00 1.07 H new ATOM 0 HB2 PRO A 70 8.001 10.319 -12.700 1.00 1.26 H new ATOM 0 HB3 PRO A 70 6.663 11.170 -11.954 1.00 1.26 H new ATOM 0 HG2 PRO A 70 8.501 9.075 -10.700 1.00 1.32 H new ATOM 0 HG3 PRO A 70 7.946 10.585 -10.003 1.00 1.32 H new ATOM 0 HD2 PRO A 70 6.712 8.198 -9.417 1.00 1.25 H new ATOM 0 HD3 PRO A 70 5.820 9.707 -9.445 1.00 1.25 H new ATOM 1094 N PRO A 71 7.203 8.264 -14.555 1.00 0.91 N ATOM 1095 CA PRO A 71 7.996 7.391 -15.413 1.00 0.79 C ATOM 1096 C PRO A 71 9.436 7.262 -14.921 1.00 0.77 C ATOM 1097 O PRO A 71 10.027 8.233 -14.450 1.00 0.87 O ATOM 1098 CB PRO A 71 7.887 7.975 -16.816 1.00 0.87 C ATOM 1099 CG PRO A 71 7.449 9.423 -16.627 1.00 1.05 C ATOM 1100 CD PRO A 71 6.730 9.427 -15.286 1.00 1.05 C ATOM 0 HA PRO A 71 7.622 6.367 -15.401 1.00 0.79 H new ATOM 0 HB2 PRO A 71 8.842 7.920 -17.338 1.00 0.87 H new ATOM 0 HB3 PRO A 71 7.164 7.422 -17.415 1.00 0.87 H new ATOM 0 HG2 PRO A 71 8.304 10.100 -16.622 1.00 1.05 H new ATOM 0 HG3 PRO A 71 6.790 9.748 -17.432 1.00 1.05 H new ATOM 0 HD2 PRO A 71 6.943 10.343 -14.735 1.00 1.05 H new ATOM 0 HD3 PRO A 71 5.650 9.383 -15.426 1.00 1.05 H new ATOM 1108 N LYS A 72 9.981 6.038 -14.988 1.00 0.71 N ATOM 1109 CA LYS A 72 11.281 5.663 -14.419 1.00 0.75 C ATOM 1110 C LYS A 72 11.444 5.880 -12.904 1.00 0.80 C ATOM 1111 O LYS A 72 12.537 5.869 -12.338 1.00 0.85 O ATOM 1112 CB LYS A 72 12.382 6.298 -15.263 1.00 0.82 C ATOM 1113 CG LYS A 72 13.137 5.177 -15.952 1.00 2.00 C ATOM 1114 CD LYS A 72 12.403 4.407 -17.065 1.00 1.25 C ATOM 1115 CE LYS A 72 11.903 5.294 -18.209 1.00 1.16 C ATOM 1116 NZ LYS A 72 11.423 4.477 -19.345 1.00 1.27 N ATOM 0 H LYS A 72 9.514 5.260 -15.454 1.00 0.71 H new ATOM 0 HA LYS A 72 11.359 4.577 -14.477 1.00 0.75 H new ATOM 0 HB2 LYS A 72 11.955 6.980 -15.998 1.00 0.82 H new ATOM 0 HB3 LYS A 72 13.055 6.884 -14.637 1.00 0.82 H new ATOM 0 HG2 LYS A 72 14.048 5.597 -16.378 1.00 2.00 H new ATOM 0 HG3 LYS A 72 13.442 4.459 -15.191 1.00 2.00 H new ATOM 0 HD2 LYS A 72 13.073 3.650 -17.472 1.00 1.25 H new ATOM 0 HD3 LYS A 72 11.554 3.880 -16.629 1.00 1.25 H new ATOM 0 HE2 LYS A 72 11.097 5.934 -17.851 1.00 1.16 H new ATOM 0 HE3 LYS A 72 12.707 5.950 -18.543 1.00 1.16 H new ATOM 0 HZ1 LYS A 72 11.411 5.056 -20.209 1.00 1.27 H new ATOM 0 HZ2 LYS A 72 12.058 3.665 -19.481 1.00 1.27 H new ATOM 0 HZ3 LYS A 72 10.462 4.135 -19.145 1.00 1.27 H new ATOM 1130 N GLY A 73 10.305 6.018 -12.248 1.00 0.91 N ATOM 1131 CA GLY A 73 10.110 6.266 -10.826 1.00 0.99 C ATOM 1132 C GLY A 73 9.876 4.983 -10.053 1.00 0.96 C ATOM 1133 O GLY A 73 8.860 4.317 -10.222 1.00 0.94 O ATOM 0 H GLY A 73 9.413 5.954 -12.738 1.00 0.91 H new ATOM 0 HA2 GLY A 73 10.985 6.777 -10.424 1.00 0.99 H new ATOM 0 HA3 GLY A 73 9.259 6.933 -10.688 1.00 0.99 H new ATOM 1137 N ARG A 74 10.807 4.702 -9.145 1.00 1.32 N ATOM 1138 CA ARG A 74 10.641 3.731 -8.052 1.00 1.42 C ATOM 1139 C ARG A 74 10.078 4.391 -6.786 1.00 1.50 C ATOM 1140 O ARG A 74 10.624 5.398 -6.334 1.00 1.70 O ATOM 1141 CB ARG A 74 11.953 2.974 -7.765 1.00 1.57 C ATOM 1142 CG ARG A 74 11.767 1.876 -6.697 1.00 2.06 C ATOM 1143 CD ARG A 74 12.977 0.938 -6.560 1.00 2.12 C ATOM 1144 NE ARG A 74 12.698 -0.398 -7.120 1.00 3.28 N ATOM 1145 CZ ARG A 74 12.651 -1.570 -6.500 1.00 3.88 C ATOM 1146 NH1 ARG A 74 13.035 -1.695 -5.256 1.00 3.72 N ATOM 1147 NH2 ARG A 74 12.207 -2.632 -7.125 1.00 5.37 N ATOM 0 H ARG A 74 11.723 5.151 -9.144 1.00 1.32 H new ATOM 0 HA ARG A 74 9.908 2.995 -8.382 1.00 1.42 H new ATOM 0 HB2 ARG A 74 12.321 2.524 -8.687 1.00 1.57 H new ATOM 0 HB3 ARG A 74 12.713 3.680 -7.430 1.00 1.57 H new ATOM 0 HG2 ARG A 74 11.573 2.347 -5.734 1.00 2.06 H new ATOM 0 HG3 ARG A 74 10.886 1.285 -6.946 1.00 2.06 H new ATOM 0 HD2 ARG A 74 13.835 1.375 -7.071 1.00 2.12 H new ATOM 0 HD3 ARG A 74 13.246 0.843 -5.508 1.00 2.12 H new ATOM 0 HE ARG A 74 12.516 -0.424 -8.123 1.00 3.28 H new ATOM 0 HH11 ARG A 74 13.379 -0.882 -4.744 1.00 3.72 H new ATOM 0 HH12 ARG A 74 12.991 -2.605 -4.798 1.00 3.72 H new ATOM 0 HH21 ARG A 74 11.895 -2.561 -8.094 1.00 5.37 H new ATOM 0 HH22 ARG A 74 12.173 -3.530 -6.643 1.00 5.37 H new ATOM 1161 N VAL A 75 9.042 3.790 -6.203 1.00 1.44 N ATOM 1162 CA VAL A 75 8.385 4.207 -4.946 1.00 1.51 C ATOM 1163 C VAL A 75 8.427 3.091 -3.890 1.00 1.56 C ATOM 1164 O VAL A 75 8.822 1.964 -4.192 1.00 1.98 O ATOM 1165 CB VAL A 75 6.925 4.673 -5.184 1.00 1.83 C ATOM 1166 CG1 VAL A 75 6.904 5.987 -5.982 1.00 1.92 C ATOM 1167 CG2 VAL A 75 6.057 3.608 -5.877 1.00 2.09 C ATOM 0 H VAL A 75 8.611 2.958 -6.606 1.00 1.44 H new ATOM 0 HA VAL A 75 8.950 5.058 -4.565 1.00 1.51 H new ATOM 0 HB VAL A 75 6.486 4.839 -4.200 1.00 1.83 H new ATOM 0 HG11 VAL A 75 5.872 6.300 -6.140 1.00 1.92 H new ATOM 0 HG12 VAL A 75 7.436 6.759 -5.426 1.00 1.92 H new ATOM 0 HG13 VAL A 75 7.389 5.835 -6.946 1.00 1.92 H new ATOM 0 HG21 VAL A 75 5.047 3.995 -6.015 1.00 2.09 H new ATOM 0 HG22 VAL A 75 6.488 3.363 -6.848 1.00 2.09 H new ATOM 0 HG23 VAL A 75 6.020 2.710 -5.260 1.00 2.09 H new ATOM 1177 N GLU A 76 8.024 3.409 -2.652 1.00 1.42 N ATOM 1178 CA GLU A 76 7.959 2.483 -1.526 1.00 1.43 C ATOM 1179 C GLU A 76 6.816 2.862 -0.579 1.00 1.46 C ATOM 1180 O GLU A 76 6.768 3.986 -0.066 1.00 1.48 O ATOM 1181 CB GLU A 76 9.297 2.498 -0.778 1.00 1.54 C ATOM 1182 CG GLU A 76 9.298 1.523 0.400 1.00 2.59 C ATOM 1183 CD GLU A 76 10.724 1.308 0.880 1.00 3.50 C ATOM 1184 OE1 GLU A 76 11.248 2.215 1.574 1.00 3.62 O ATOM 1185 OE2 GLU A 76 11.362 0.326 0.443 1.00 4.68 O ATOM 0 H GLU A 76 7.725 4.352 -2.404 1.00 1.42 H new ATOM 0 HA GLU A 76 7.766 1.479 -1.903 1.00 1.43 H new ATOM 0 HB2 GLU A 76 10.101 2.238 -1.466 1.00 1.54 H new ATOM 0 HB3 GLU A 76 9.500 3.506 -0.416 1.00 1.54 H new ATOM 0 HG2 GLU A 76 8.685 1.916 1.211 1.00 2.59 H new ATOM 0 HG3 GLU A 76 8.857 0.573 0.099 1.00 2.59 H new ATOM 1192 N LEU A 77 5.933 1.901 -0.309 1.00 1.51 N ATOM 1193 CA LEU A 77 4.839 2.035 0.646 1.00 1.45 C ATOM 1194 C LEU A 77 5.330 1.774 2.081 1.00 1.47 C ATOM 1195 O LEU A 77 6.327 1.096 2.326 1.00 1.85 O ATOM 1196 CB LEU A 77 3.651 1.144 0.228 1.00 1.36 C ATOM 1197 CG LEU A 77 2.767 1.774 -0.875 1.00 1.27 C ATOM 1198 CD1 LEU A 77 3.432 1.770 -2.261 1.00 1.19 C ATOM 1199 CD2 LEU A 77 1.422 1.037 -0.954 1.00 1.23 C ATOM 0 H LEU A 77 5.961 0.987 -0.760 1.00 1.51 H new ATOM 0 HA LEU A 77 4.473 3.062 0.638 1.00 1.45 H new ATOM 0 HB2 LEU A 77 4.032 0.186 -0.126 1.00 1.36 H new ATOM 0 HB3 LEU A 77 3.035 0.939 1.103 1.00 1.36 H new ATOM 0 HG LEU A 77 2.617 2.816 -0.593 1.00 1.27 H new ATOM 0 HD11 LEU A 77 2.760 2.225 -2.988 1.00 1.19 H new ATOM 0 HD12 LEU A 77 4.361 2.338 -2.220 1.00 1.19 H new ATOM 0 HD13 LEU A 77 3.647 0.744 -2.558 1.00 1.19 H new ATOM 0 HD21 LEU A 77 0.806 1.487 -1.733 1.00 1.23 H new ATOM 0 HD22 LEU A 77 1.596 -0.013 -1.190 1.00 1.23 H new ATOM 0 HD23 LEU A 77 0.908 1.113 0.004 1.00 1.23 H new ATOM 1211 N LYS A 78 4.626 2.374 3.043 1.00 1.95 N ATOM 1212 CA LYS A 78 5.041 2.538 4.442 1.00 1.96 C ATOM 1213 C LYS A 78 3.888 3.071 5.325 1.00 1.76 C ATOM 1214 O LYS A 78 3.048 3.803 4.802 1.00 1.72 O ATOM 1215 CB LYS A 78 6.308 3.423 4.501 1.00 2.08 C ATOM 1216 CG LYS A 78 6.388 4.640 3.532 1.00 1.95 C ATOM 1217 CD LYS A 78 7.833 5.152 3.418 1.00 2.38 C ATOM 1218 CE LYS A 78 8.674 4.147 2.612 1.00 3.39 C ATOM 1219 NZ LYS A 78 10.124 4.440 2.626 1.00 4.00 N ATOM 0 H LYS A 78 3.707 2.779 2.862 1.00 1.95 H new ATOM 0 HA LYS A 78 5.294 1.563 4.858 1.00 1.96 H new ATOM 0 HB2 LYS A 78 6.408 3.798 5.519 1.00 2.08 H new ATOM 0 HB3 LYS A 78 7.171 2.785 4.310 1.00 2.08 H new ATOM 0 HG2 LYS A 78 6.021 4.351 2.547 1.00 1.95 H new ATOM 0 HG3 LYS A 78 5.741 5.440 3.891 1.00 1.95 H new ATOM 0 HD2 LYS A 78 7.847 6.127 2.930 1.00 2.38 H new ATOM 0 HD3 LYS A 78 8.261 5.286 4.411 1.00 2.38 H new ATOM 0 HE2 LYS A 78 8.510 3.146 3.012 1.00 3.39 H new ATOM 0 HE3 LYS A 78 8.324 4.139 1.580 1.00 3.39 H new ATOM 0 HZ1 LYS A 78 10.658 3.556 2.507 1.00 4.00 H new ATOM 0 HZ2 LYS A 78 10.354 5.091 1.848 1.00 4.00 H new ATOM 0 HZ3 LYS A 78 10.381 4.880 3.533 1.00 4.00 H new ATOM 1233 N PRO A 79 3.817 2.726 6.632 1.00 1.74 N ATOM 1234 CA PRO A 79 2.684 3.080 7.494 1.00 1.66 C ATOM 1235 C PRO A 79 2.645 4.582 7.770 1.00 1.48 C ATOM 1236 O PRO A 79 1.625 5.217 7.525 1.00 1.27 O ATOM 1237 CB PRO A 79 2.849 2.260 8.776 1.00 1.93 C ATOM 1238 CG PRO A 79 4.344 1.940 8.831 1.00 2.09 C ATOM 1239 CD PRO A 79 4.772 1.899 7.364 1.00 1.89 C ATOM 0 HA PRO A 79 1.732 2.850 7.015 1.00 1.66 H new ATOM 0 HB2 PRO A 79 2.531 2.824 9.653 1.00 1.93 H new ATOM 0 HB3 PRO A 79 2.249 1.351 8.747 1.00 1.93 H new ATOM 0 HG2 PRO A 79 4.894 2.700 9.385 1.00 2.09 H new ATOM 0 HG3 PRO A 79 4.530 0.987 9.327 1.00 2.09 H new ATOM 0 HD2 PRO A 79 5.786 2.280 7.245 1.00 1.89 H new ATOM 0 HD3 PRO A 79 4.769 0.876 6.987 1.00 1.89 H new ATOM 1247 N GLY A 80 3.786 5.158 8.179 1.00 1.70 N ATOM 1248 CA GLY A 80 4.062 6.582 8.020 1.00 1.52 C ATOM 1249 C GLY A 80 4.375 6.830 6.549 1.00 1.66 C ATOM 1250 O GLY A 80 5.492 6.583 6.094 1.00 2.35 O ATOM 0 H GLY A 80 4.541 4.642 8.630 1.00 1.70 H new ATOM 0 HA2 GLY A 80 3.204 7.176 8.334 1.00 1.52 H new ATOM 0 HA3 GLY A 80 4.903 6.881 8.646 1.00 1.52 H new ATOM 1254 N GLY A 81 3.346 7.255 5.815 1.00 1.22 N ATOM 1255 CA GLY A 81 3.251 7.250 4.354 1.00 1.42 C ATOM 1256 C GLY A 81 2.037 6.463 3.861 1.00 1.68 C ATOM 1257 O GLY A 81 1.029 6.334 4.553 1.00 2.83 O ATOM 0 H GLY A 81 2.506 7.635 6.251 1.00 1.22 H new ATOM 0 HA2 GLY A 81 3.189 8.276 3.991 1.00 1.42 H new ATOM 0 HA3 GLY A 81 4.159 6.817 3.933 1.00 1.42 H new ATOM 1261 N TYR A 82 2.121 5.977 2.625 1.00 0.83 N ATOM 1262 CA TYR A 82 1.025 5.314 1.909 1.00 0.80 C ATOM 1263 C TYR A 82 1.045 3.803 2.098 1.00 0.83 C ATOM 1264 O TYR A 82 2.106 3.190 2.048 1.00 0.97 O ATOM 1265 CB TYR A 82 1.084 5.645 0.414 1.00 0.75 C ATOM 1266 CG TYR A 82 1.359 7.104 0.139 1.00 0.74 C ATOM 1267 CD1 TYR A 82 2.690 7.561 0.177 1.00 2.20 C ATOM 1268 CD2 TYR A 82 0.304 8.005 -0.082 1.00 1.86 C ATOM 1269 CE1 TYR A 82 2.971 8.929 0.063 1.00 2.40 C ATOM 1270 CE2 TYR A 82 0.577 9.376 -0.246 1.00 1.74 C ATOM 1271 CZ TYR A 82 1.912 9.844 -0.169 1.00 0.97 C ATOM 1272 OH TYR A 82 2.180 11.169 -0.322 1.00 1.15 O ATOM 0 H TYR A 82 2.978 6.033 2.074 1.00 0.83 H new ATOM 0 HA TYR A 82 0.095 5.692 2.333 1.00 0.80 H new ATOM 0 HB2 TYR A 82 1.860 5.041 -0.055 1.00 0.75 H new ATOM 0 HB3 TYR A 82 0.138 5.366 -0.051 1.00 0.75 H new ATOM 0 HD1 TYR A 82 3.498 6.854 0.295 1.00 2.20 H new ATOM 0 HD2 TYR A 82 -0.714 7.647 -0.126 1.00 1.86 H new ATOM 0 HE1 TYR A 82 3.987 9.284 0.151 1.00 2.40 H new ATOM 0 HE2 TYR A 82 -0.230 10.070 -0.430 1.00 1.74 H new ATOM 0 HH TYR A 82 1.344 11.656 -0.474 1.00 1.15 H new ATOM 1282 N HIS A 83 -0.112 3.181 2.264 1.00 0.78 N ATOM 1283 CA HIS A 83 -0.224 1.781 2.667 1.00 0.78 C ATOM 1284 C HIS A 83 -1.620 1.259 2.317 1.00 0.75 C ATOM 1285 O HIS A 83 -2.569 2.035 2.241 1.00 0.78 O ATOM 1286 CB HIS A 83 0.118 1.658 4.163 1.00 0.75 C ATOM 1287 CG HIS A 83 -0.701 2.541 5.073 1.00 0.66 C ATOM 1288 ND1 HIS A 83 -0.451 3.858 5.408 1.00 0.76 N ATOM 1289 CD2 HIS A 83 -1.851 2.174 5.716 1.00 0.63 C ATOM 1290 CE1 HIS A 83 -1.441 4.269 6.214 1.00 0.76 C ATOM 1291 NE2 HIS A 83 -2.310 3.270 6.450 1.00 0.67 N ATOM 0 H HIS A 83 -1.013 3.637 2.122 1.00 0.78 H new ATOM 0 HA HIS A 83 0.487 1.158 2.125 1.00 0.78 H new ATOM 0 HB2 HIS A 83 -0.017 0.620 4.468 1.00 0.75 H new ATOM 0 HB3 HIS A 83 1.173 1.896 4.301 1.00 0.75 H new ATOM 0 HD1 HIS A 83 0.344 4.417 5.098 1.00 0.76 H new ATOM 0 HD2 HIS A 83 -2.323 1.204 5.665 1.00 0.63 H new ATOM 0 HE1 HIS A 83 -1.529 5.267 6.619 1.00 0.76 H new ATOM 1299 N PHE A 84 -1.767 -0.046 2.108 1.00 0.76 N ATOM 1300 CA PHE A 84 -3.079 -0.648 1.918 1.00 0.73 C ATOM 1301 C PHE A 84 -3.573 -1.166 3.256 1.00 0.79 C ATOM 1302 O PHE A 84 -2.933 -2.048 3.820 1.00 1.00 O ATOM 1303 CB PHE A 84 -2.961 -1.812 0.942 1.00 0.76 C ATOM 1304 CG PHE A 84 -2.737 -1.424 -0.495 1.00 0.71 C ATOM 1305 CD1 PHE A 84 -3.809 -0.928 -1.254 1.00 1.96 C ATOM 1306 CD2 PHE A 84 -1.474 -1.607 -1.087 1.00 1.96 C ATOM 1307 CE1 PHE A 84 -3.638 -0.694 -2.625 1.00 1.98 C ATOM 1308 CE2 PHE A 84 -1.293 -1.328 -2.450 1.00 1.94 C ATOM 1309 CZ PHE A 84 -2.380 -0.890 -3.222 1.00 0.72 C ATOM 0 H PHE A 84 -0.991 -0.706 2.066 1.00 0.76 H new ATOM 0 HA PHE A 84 -3.776 0.090 1.521 1.00 0.73 H new ATOM 0 HB2 PHE A 84 -2.138 -2.451 1.262 1.00 0.76 H new ATOM 0 HB3 PHE A 84 -3.871 -2.410 1.003 1.00 0.76 H new ATOM 0 HD1 PHE A 84 -4.760 -0.728 -0.784 1.00 1.96 H new ATOM 0 HD2 PHE A 84 -0.645 -1.962 -0.493 1.00 1.96 H new ATOM 0 HE1 PHE A 84 -4.473 -0.363 -3.224 1.00 1.98 H new ATOM 0 HE2 PHE A 84 -0.320 -1.450 -2.904 1.00 1.94 H new ATOM 0 HZ PHE A 84 -2.250 -0.703 -4.278 1.00 0.72 H new ATOM 1319 N MET A 85 -4.711 -0.684 3.744 1.00 0.66 N ATOM 1320 CA MET A 85 -5.421 -1.333 4.851 1.00 0.73 C ATOM 1321 C MET A 85 -5.986 -2.667 4.370 1.00 0.81 C ATOM 1322 O MET A 85 -6.633 -2.724 3.323 1.00 0.93 O ATOM 1323 CB MET A 85 -6.537 -0.428 5.399 1.00 0.87 C ATOM 1324 CG MET A 85 -6.046 0.559 6.463 1.00 0.76 C ATOM 1325 SD MET A 85 -5.566 -0.192 8.041 1.00 1.09 S ATOM 1326 CE MET A 85 -3.769 -0.057 7.899 1.00 0.65 C ATOM 0 H MET A 85 -5.167 0.158 3.391 1.00 0.66 H new ATOM 0 HA MET A 85 -4.721 -1.513 5.667 1.00 0.73 H new ATOM 0 HB2 MET A 85 -6.982 0.129 4.574 1.00 0.87 H new ATOM 0 HB3 MET A 85 -7.324 -1.050 5.825 1.00 0.87 H new ATOM 0 HG2 MET A 85 -5.192 1.106 6.063 1.00 0.76 H new ATOM 0 HG3 MET A 85 -6.833 1.290 6.650 1.00 0.76 H new ATOM 0 HE1 MET A 85 -3.298 -0.866 8.457 1.00 0.65 H new ATOM 0 HE2 MET A 85 -3.481 -0.124 6.850 1.00 0.65 H new ATOM 0 HE3 MET A 85 -3.443 0.901 8.304 1.00 0.65 H new ATOM 1336 N LEU A 86 -5.732 -3.725 5.141 1.00 0.79 N ATOM 1337 CA LEU A 86 -6.335 -5.043 4.957 1.00 0.81 C ATOM 1338 C LEU A 86 -7.373 -5.244 6.055 1.00 0.79 C ATOM 1339 O LEU A 86 -7.017 -5.220 7.233 1.00 0.88 O ATOM 1340 CB LEU A 86 -5.260 -6.146 5.043 1.00 0.87 C ATOM 1341 CG LEU A 86 -4.087 -6.011 4.056 1.00 0.97 C ATOM 1342 CD1 LEU A 86 -3.214 -7.264 4.192 1.00 1.99 C ATOM 1343 CD2 LEU A 86 -4.542 -5.821 2.604 1.00 1.30 C ATOM 0 H LEU A 86 -5.086 -3.687 5.929 1.00 0.79 H new ATOM 0 HA LEU A 86 -6.802 -5.103 3.974 1.00 0.81 H new ATOM 0 HB2 LEU A 86 -4.859 -6.159 6.056 1.00 0.87 H new ATOM 0 HB3 LEU A 86 -5.741 -7.110 4.878 1.00 0.87 H new ATOM 0 HG LEU A 86 -3.524 -5.112 4.306 1.00 0.97 H new ATOM 0 HD11 LEU A 86 -2.372 -7.197 3.503 1.00 1.99 H new ATOM 0 HD12 LEU A 86 -2.842 -7.339 5.214 1.00 1.99 H new ATOM 0 HD13 LEU A 86 -3.807 -8.148 3.956 1.00 1.99 H new ATOM 0 HD21 LEU A 86 -3.669 -5.732 1.958 1.00 1.30 H new ATOM 0 HD22 LEU A 86 -5.137 -6.680 2.294 1.00 1.30 H new ATOM 0 HD23 LEU A 86 -5.144 -4.916 2.527 1.00 1.30 H new ATOM 1355 N LEU A 87 -8.636 -5.427 5.677 1.00 0.81 N ATOM 1356 CA LEU A 87 -9.749 -5.630 6.606 1.00 0.88 C ATOM 1357 C LEU A 87 -10.204 -7.094 6.561 1.00 1.17 C ATOM 1358 O LEU A 87 -10.036 -7.767 5.540 1.00 1.77 O ATOM 1359 CB LEU A 87 -10.915 -4.690 6.234 1.00 0.99 C ATOM 1360 CG LEU A 87 -10.718 -3.161 6.335 1.00 1.17 C ATOM 1361 CD1 LEU A 87 -10.114 -2.748 7.684 1.00 1.68 C ATOM 1362 CD2 LEU A 87 -9.883 -2.568 5.192 1.00 3.05 C ATOM 0 H LEU A 87 -8.922 -5.439 4.698 1.00 0.81 H new ATOM 0 HA LEU A 87 -9.422 -5.398 7.620 1.00 0.88 H new ATOM 0 HB2 LEU A 87 -11.202 -4.916 5.207 1.00 0.99 H new ATOM 0 HB3 LEU A 87 -11.762 -4.953 6.867 1.00 0.99 H new ATOM 0 HG LEU A 87 -11.723 -2.747 6.250 1.00 1.17 H new ATOM 0 HD11 LEU A 87 -9.993 -1.665 7.712 1.00 1.68 H new ATOM 0 HD12 LEU A 87 -10.778 -3.060 8.491 1.00 1.68 H new ATOM 0 HD13 LEU A 87 -9.142 -3.225 7.809 1.00 1.68 H new ATOM 0 HD21 LEU A 87 -9.788 -1.491 5.331 1.00 3.05 H new ATOM 0 HD22 LEU A 87 -8.892 -3.023 5.191 1.00 3.05 H new ATOM 0 HD23 LEU A 87 -10.375 -2.769 4.240 1.00 3.05 H new ATOM 1374 N GLY A 88 -10.768 -7.595 7.667 1.00 0.97 N ATOM 1375 CA GLY A 88 -11.408 -8.920 7.755 1.00 1.20 C ATOM 1376 C GLY A 88 -10.500 -10.048 7.265 1.00 1.25 C ATOM 1377 O GLY A 88 -10.740 -10.623 6.202 1.00 1.70 O ATOM 0 H GLY A 88 -10.794 -7.081 8.548 1.00 0.97 H new ATOM 0 HA2 GLY A 88 -11.694 -9.113 8.789 1.00 1.20 H new ATOM 0 HA3 GLY A 88 -12.325 -8.916 7.166 1.00 1.20 H new ATOM 1381 N LEU A 89 -9.423 -10.305 8.009 1.00 1.15 N ATOM 1382 CA LEU A 89 -8.277 -11.095 7.553 1.00 1.04 C ATOM 1383 C LEU A 89 -8.610 -12.570 7.269 1.00 1.00 C ATOM 1384 O LEU A 89 -8.830 -13.375 8.170 1.00 1.26 O ATOM 1385 CB LEU A 89 -7.139 -10.972 8.573 1.00 1.12 C ATOM 1386 CG LEU A 89 -6.705 -9.532 8.926 1.00 1.05 C ATOM 1387 CD1 LEU A 89 -5.558 -9.636 9.932 1.00 1.20 C ATOM 1388 CD2 LEU A 89 -6.286 -8.722 7.688 1.00 1.05 C ATOM 0 H LEU A 89 -9.320 -9.963 8.965 1.00 1.15 H new ATOM 0 HA LEU A 89 -7.966 -10.684 6.593 1.00 1.04 H new ATOM 0 HB2 LEU A 89 -7.443 -11.475 9.491 1.00 1.12 H new ATOM 0 HB3 LEU A 89 -6.272 -11.509 8.188 1.00 1.12 H new ATOM 0 HG LEU A 89 -7.550 -8.993 9.354 1.00 1.05 H new ATOM 0 HD11 LEU A 89 -5.223 -8.636 10.207 1.00 1.20 H new ATOM 0 HD12 LEU A 89 -5.902 -10.161 10.823 1.00 1.20 H new ATOM 0 HD13 LEU A 89 -4.730 -10.186 9.484 1.00 1.20 H new ATOM 0 HD21 LEU A 89 -5.991 -7.718 7.993 1.00 1.05 H new ATOM 0 HD22 LEU A 89 -5.446 -9.214 7.198 1.00 1.05 H new ATOM 0 HD23 LEU A 89 -7.124 -8.659 6.994 1.00 1.05 H new ATOM 1400 N LYS A 90 -8.569 -12.944 5.992 1.00 0.88 N ATOM 1401 CA LYS A 90 -8.847 -14.307 5.500 1.00 0.87 C ATOM 1402 C LYS A 90 -7.640 -15.252 5.666 1.00 0.96 C ATOM 1403 O LYS A 90 -7.810 -16.460 5.822 1.00 1.11 O ATOM 1404 CB LYS A 90 -9.306 -14.245 4.031 1.00 0.98 C ATOM 1405 CG LYS A 90 -10.512 -13.318 3.829 1.00 1.27 C ATOM 1406 CD LYS A 90 -10.968 -13.252 2.368 1.00 1.41 C ATOM 1407 CE LYS A 90 -12.291 -12.482 2.280 1.00 1.93 C ATOM 1408 NZ LYS A 90 -12.460 -11.837 0.953 1.00 1.56 N ATOM 0 H LYS A 90 -8.335 -12.293 5.242 1.00 0.88 H new ATOM 0 HA LYS A 90 -9.648 -14.725 6.110 1.00 0.87 H new ATOM 0 HB2 LYS A 90 -8.479 -13.900 3.410 1.00 0.98 H new ATOM 0 HB3 LYS A 90 -9.563 -15.248 3.692 1.00 0.98 H new ATOM 0 HG2 LYS A 90 -11.339 -13.665 4.448 1.00 1.27 H new ATOM 0 HG3 LYS A 90 -10.256 -12.315 4.171 1.00 1.27 H new ATOM 0 HD2 LYS A 90 -10.208 -12.761 1.760 1.00 1.41 H new ATOM 0 HD3 LYS A 90 -11.093 -14.259 1.969 1.00 1.41 H new ATOM 0 HE2 LYS A 90 -13.122 -13.163 2.463 1.00 1.93 H new ATOM 0 HE3 LYS A 90 -12.324 -11.723 3.061 1.00 1.93 H new ATOM 0 HZ1 LYS A 90 -13.365 -11.325 0.929 1.00 1.56 H new ATOM 0 HZ2 LYS A 90 -11.680 -11.169 0.790 1.00 1.56 H new ATOM 0 HZ3 LYS A 90 -12.454 -12.565 0.210 1.00 1.56 H new ATOM 1422 N ARG A 91 -6.434 -14.677 5.707 1.00 1.23 N ATOM 1423 CA ARG A 91 -5.304 -15.224 6.460 1.00 1.49 C ATOM 1424 C ARG A 91 -4.916 -14.150 7.481 1.00 1.36 C ATOM 1425 O ARG A 91 -4.671 -13.022 7.049 1.00 1.38 O ATOM 1426 CB ARG A 91 -4.090 -15.513 5.553 1.00 1.91 C ATOM 1427 CG ARG A 91 -4.228 -16.772 4.684 1.00 1.79 C ATOM 1428 CD ARG A 91 -4.143 -18.052 5.527 1.00 2.23 C ATOM 1429 NE ARG A 91 -4.170 -19.256 4.680 1.00 2.72 N ATOM 1430 CZ ARG A 91 -3.112 -19.866 4.150 1.00 3.36 C ATOM 1431 NH1 ARG A 91 -1.878 -19.456 4.346 1.00 3.98 N ATOM 1432 NH2 ARG A 91 -3.292 -20.934 3.398 1.00 4.21 N ATOM 0 H ARG A 91 -6.214 -13.812 5.214 1.00 1.23 H new ATOM 0 HA ARG A 91 -5.590 -16.168 6.924 1.00 1.49 H new ATOM 0 HB2 ARG A 91 -3.926 -14.654 4.902 1.00 1.91 H new ATOM 0 HB3 ARG A 91 -3.202 -15.614 6.177 1.00 1.91 H new ATOM 0 HG2 ARG A 91 -5.180 -16.747 4.155 1.00 1.79 H new ATOM 0 HG3 ARG A 91 -3.443 -16.781 3.928 1.00 1.79 H new ATOM 0 HD2 ARG A 91 -3.226 -18.041 6.117 1.00 2.23 H new ATOM 0 HD3 ARG A 91 -4.975 -18.082 6.231 1.00 2.23 H new ATOM 0 HE ARG A 91 -5.085 -19.661 4.481 1.00 2.72 H new ATOM 0 HH11 ARG A 91 -1.699 -18.636 4.926 1.00 3.98 H new ATOM 0 HH12 ARG A 91 -1.100 -19.958 3.918 1.00 3.98 H new ATOM 0 HH21 ARG A 91 -4.235 -21.285 3.227 1.00 4.21 H new ATOM 0 HH22 ARG A 91 -2.489 -21.409 2.987 1.00 4.21 H new ATOM 1446 N PRO A 92 -4.827 -14.450 8.792 1.00 1.40 N ATOM 1447 CA PRO A 92 -4.103 -13.585 9.712 1.00 1.48 C ATOM 1448 C PRO A 92 -2.632 -13.606 9.289 1.00 1.52 C ATOM 1449 O PRO A 92 -2.114 -14.663 8.930 1.00 1.65 O ATOM 1450 CB PRO A 92 -4.338 -14.168 11.108 1.00 1.69 C ATOM 1451 CG PRO A 92 -4.556 -15.656 10.837 1.00 1.68 C ATOM 1452 CD PRO A 92 -5.222 -15.683 9.460 1.00 1.53 C ATOM 0 HA PRO A 92 -4.429 -12.545 9.708 1.00 1.48 H new ATOM 0 HB2 PRO A 92 -3.483 -14.000 11.763 1.00 1.69 H new ATOM 0 HB3 PRO A 92 -5.204 -13.716 11.592 1.00 1.69 H new ATOM 0 HG2 PRO A 92 -3.614 -16.205 10.837 1.00 1.68 H new ATOM 0 HG3 PRO A 92 -5.190 -16.112 11.597 1.00 1.68 H new ATOM 0 HD2 PRO A 92 -4.901 -16.555 8.890 1.00 1.53 H new ATOM 0 HD3 PRO A 92 -6.306 -15.745 9.553 1.00 1.53 H new ATOM 1460 N LEU A 93 -1.983 -12.438 9.277 1.00 1.64 N ATOM 1461 CA LEU A 93 -0.663 -12.245 8.668 1.00 1.76 C ATOM 1462 C LEU A 93 0.473 -12.827 9.529 1.00 1.84 C ATOM 1463 O LEU A 93 1.356 -12.112 9.984 1.00 2.51 O ATOM 1464 CB LEU A 93 -0.454 -10.743 8.348 1.00 1.82 C ATOM 1465 CG LEU A 93 -1.338 -10.079 7.271 1.00 1.90 C ATOM 1466 CD1 LEU A 93 -1.478 -10.923 6.003 1.00 1.69 C ATOM 1467 CD2 LEU A 93 -2.731 -9.719 7.785 1.00 2.42 C ATOM 0 H LEU A 93 -2.364 -11.589 9.695 1.00 1.64 H new ATOM 0 HA LEU A 93 -0.630 -12.804 7.733 1.00 1.76 H new ATOM 0 HB2 LEU A 93 -0.591 -10.187 9.275 1.00 1.82 H new ATOM 0 HB3 LEU A 93 0.586 -10.612 8.048 1.00 1.82 H new ATOM 0 HG LEU A 93 -0.808 -9.161 7.018 1.00 1.90 H new ATOM 0 HD11 LEU A 93 -2.111 -10.400 5.286 1.00 1.69 H new ATOM 0 HD12 LEU A 93 -0.494 -11.088 5.565 1.00 1.69 H new ATOM 0 HD13 LEU A 93 -1.929 -11.883 6.253 1.00 1.69 H new ATOM 0 HD21 LEU A 93 -3.306 -9.256 6.983 1.00 2.42 H new ATOM 0 HD22 LEU A 93 -3.240 -10.623 8.121 1.00 2.42 H new ATOM 0 HD23 LEU A 93 -2.642 -9.022 8.618 1.00 2.42 H new ATOM 1479 N LYS A 94 0.492 -14.139 9.751 1.00 1.75 N ATOM 1480 CA LYS A 94 1.546 -14.869 10.442 1.00 1.79 C ATOM 1481 C LYS A 94 2.906 -14.502 9.805 1.00 1.56 C ATOM 1482 O LYS A 94 3.092 -14.742 8.616 1.00 1.82 O ATOM 1483 CB LYS A 94 1.135 -16.358 10.306 1.00 2.13 C ATOM 1484 CG LYS A 94 1.883 -17.414 11.128 1.00 2.30 C ATOM 1485 CD LYS A 94 3.350 -17.615 10.745 1.00 2.58 C ATOM 1486 CE LYS A 94 3.673 -18.407 9.463 1.00 3.15 C ATOM 1487 NZ LYS A 94 3.312 -17.701 8.212 1.00 3.65 N ATOM 0 H LYS A 94 -0.264 -14.749 9.438 1.00 1.75 H new ATOM 0 HA LYS A 94 1.664 -14.629 11.499 1.00 1.79 H new ATOM 0 HB2 LYS A 94 0.078 -16.432 10.560 1.00 2.13 H new ATOM 0 HB3 LYS A 94 1.230 -16.631 9.255 1.00 2.13 H new ATOM 0 HG2 LYS A 94 1.833 -17.135 12.180 1.00 2.30 H new ATOM 0 HG3 LYS A 94 1.363 -18.367 11.026 1.00 2.30 H new ATOM 0 HD2 LYS A 94 3.806 -16.629 10.650 1.00 2.58 H new ATOM 0 HD3 LYS A 94 3.844 -18.116 11.577 1.00 2.58 H new ATOM 0 HE2 LYS A 94 4.739 -18.632 9.446 1.00 3.15 H new ATOM 0 HE3 LYS A 94 3.146 -19.361 9.495 1.00 3.15 H new ATOM 0 HZ1 LYS A 94 3.991 -17.950 7.464 1.00 3.65 H new ATOM 0 HZ2 LYS A 94 2.355 -17.982 7.919 1.00 3.65 H new ATOM 0 HZ3 LYS A 94 3.337 -16.674 8.373 1.00 3.65 H new ATOM 1501 N ALA A 95 3.875 -13.973 10.568 1.00 1.47 N ATOM 1502 CA ALA A 95 5.213 -13.620 10.054 1.00 1.35 C ATOM 1503 C ALA A 95 5.779 -14.705 9.114 1.00 1.34 C ATOM 1504 O ALA A 95 5.846 -15.873 9.494 1.00 1.40 O ATOM 1505 CB ALA A 95 6.148 -13.343 11.239 1.00 1.36 C ATOM 0 H ALA A 95 3.755 -13.776 11.562 1.00 1.47 H new ATOM 0 HA ALA A 95 5.130 -12.718 9.448 1.00 1.35 H new ATOM 0 HB1 ALA A 95 7.139 -13.081 10.867 1.00 1.36 H new ATOM 0 HB2 ALA A 95 5.752 -12.517 11.829 1.00 1.36 H new ATOM 0 HB3 ALA A 95 6.218 -14.234 11.863 1.00 1.36 H new ATOM 1511 N GLY A 96 6.081 -14.349 7.860 1.00 1.47 N ATOM 1512 CA GLY A 96 6.419 -15.321 6.813 1.00 1.68 C ATOM 1513 C GLY A 96 5.225 -16.135 6.297 1.00 1.83 C ATOM 1514 O GLY A 96 5.342 -17.346 6.141 1.00 2.28 O ATOM 0 H GLY A 96 6.098 -13.380 7.542 1.00 1.47 H new ATOM 0 HA2 GLY A 96 6.872 -14.792 5.975 1.00 1.68 H new ATOM 0 HA3 GLY A 96 7.172 -16.008 7.201 1.00 1.68 H new ATOM 1518 N GLU A 97 4.056 -15.516 6.077 1.00 1.80 N ATOM 1519 CA GLU A 97 3.161 -15.940 4.980 1.00 1.89 C ATOM 1520 C GLU A 97 3.750 -15.416 3.655 1.00 1.43 C ATOM 1521 O GLU A 97 4.644 -14.561 3.653 1.00 1.18 O ATOM 1522 CB GLU A 97 1.717 -15.380 5.073 1.00 2.17 C ATOM 1523 CG GLU A 97 0.813 -15.708 6.265 1.00 2.56 C ATOM 1524 CD GLU A 97 0.284 -17.140 6.299 1.00 1.99 C ATOM 1525 OE1 GLU A 97 -0.815 -17.384 5.752 1.00 2.74 O ATOM 1526 OE2 GLU A 97 0.957 -17.980 6.937 1.00 2.33 O ATOM 0 H GLU A 97 3.709 -14.733 6.631 1.00 1.80 H new ATOM 0 HA GLU A 97 3.098 -17.026 5.043 1.00 1.89 H new ATOM 0 HB2 GLU A 97 1.793 -14.294 5.021 1.00 2.17 H new ATOM 0 HB3 GLU A 97 1.191 -15.706 4.176 1.00 2.17 H new ATOM 0 HG2 GLU A 97 1.367 -15.519 7.185 1.00 2.56 H new ATOM 0 HG3 GLU A 97 -0.035 -15.023 6.258 1.00 2.56 H new ATOM 1533 N GLU A 98 3.161 -15.853 2.547 1.00 1.59 N ATOM 1534 CA GLU A 98 3.252 -15.208 1.235 1.00 1.52 C ATOM 1535 C GLU A 98 1.911 -14.509 0.962 1.00 1.30 C ATOM 1536 O GLU A 98 0.874 -14.974 1.438 1.00 1.62 O ATOM 1537 CB GLU A 98 3.516 -16.257 0.142 1.00 2.15 C ATOM 1538 CG GLU A 98 4.844 -17.000 0.331 1.00 2.55 C ATOM 1539 CD GLU A 98 5.023 -18.067 -0.750 1.00 3.50 C ATOM 1540 OE1 GLU A 98 4.208 -19.016 -0.751 1.00 4.98 O ATOM 1541 OE2 GLU A 98 5.961 -17.913 -1.563 1.00 3.45 O ATOM 0 H GLU A 98 2.586 -16.695 2.534 1.00 1.59 H new ATOM 0 HA GLU A 98 4.072 -14.490 1.227 1.00 1.52 H new ATOM 0 HB2 GLU A 98 2.700 -16.979 0.135 1.00 2.15 H new ATOM 0 HB3 GLU A 98 3.516 -15.767 -0.832 1.00 2.15 H new ATOM 0 HG2 GLU A 98 5.672 -16.292 0.291 1.00 2.55 H new ATOM 0 HG3 GLU A 98 4.870 -17.465 1.316 1.00 2.55 H new ATOM 1548 N VAL A 99 1.910 -13.417 0.195 1.00 1.12 N ATOM 1549 CA VAL A 99 0.693 -12.689 -0.207 1.00 0.98 C ATOM 1550 C VAL A 99 0.704 -12.410 -1.699 1.00 1.05 C ATOM 1551 O VAL A 99 1.547 -11.666 -2.191 1.00 1.13 O ATOM 1552 CB VAL A 99 0.500 -11.361 0.565 1.00 0.88 C ATOM 1553 CG1 VAL A 99 -0.596 -10.463 -0.068 1.00 0.83 C ATOM 1554 CG2 VAL A 99 0.095 -11.691 2.012 1.00 0.99 C ATOM 0 H VAL A 99 2.766 -13.003 -0.173 1.00 1.12 H new ATOM 0 HA VAL A 99 -0.146 -13.338 0.044 1.00 0.98 H new ATOM 0 HB VAL A 99 1.441 -10.811 0.527 1.00 0.88 H new ATOM 0 HG11 VAL A 99 -0.692 -9.544 0.510 1.00 0.83 H new ATOM 0 HG12 VAL A 99 -0.319 -10.219 -1.093 1.00 0.83 H new ATOM 0 HG13 VAL A 99 -1.548 -10.994 -0.066 1.00 0.83 H new ATOM 0 HG21 VAL A 99 -0.045 -10.766 2.571 1.00 0.99 H new ATOM 0 HG22 VAL A 99 -0.836 -12.258 2.009 1.00 0.99 H new ATOM 0 HG23 VAL A 99 0.879 -12.284 2.483 1.00 0.99 H new ATOM 1564 N GLU A 100 -0.312 -12.962 -2.358 1.00 1.14 N ATOM 1565 CA GLU A 100 -0.738 -12.634 -3.715 1.00 1.29 C ATOM 1566 C GLU A 100 -1.495 -11.297 -3.728 1.00 1.13 C ATOM 1567 O GLU A 100 -2.323 -11.038 -2.845 1.00 1.10 O ATOM 1568 CB GLU A 100 -1.639 -13.776 -4.233 1.00 1.58 C ATOM 1569 CG GLU A 100 -0.957 -14.630 -5.306 1.00 1.64 C ATOM 1570 CD GLU A 100 -1.150 -14.001 -6.679 1.00 2.06 C ATOM 1571 OE1 GLU A 100 -0.747 -12.833 -6.869 1.00 2.94 O ATOM 1572 OE2 GLU A 100 -1.806 -14.633 -7.537 1.00 2.85 O ATOM 0 H GLU A 100 -0.891 -13.689 -1.937 1.00 1.14 H new ATOM 0 HA GLU A 100 0.131 -12.530 -4.364 1.00 1.29 H new ATOM 0 HB2 GLU A 100 -1.927 -14.413 -3.397 1.00 1.58 H new ATOM 0 HB3 GLU A 100 -2.556 -13.352 -4.641 1.00 1.58 H new ATOM 0 HG2 GLU A 100 0.107 -14.722 -5.086 1.00 1.64 H new ATOM 0 HG3 GLU A 100 -1.373 -15.638 -5.298 1.00 1.64 H new ATOM 1579 N LEU A 101 -1.217 -10.456 -4.724 1.00 1.17 N ATOM 1580 CA LEU A 101 -1.753 -9.098 -4.822 1.00 0.98 C ATOM 1581 C LEU A 101 -1.770 -8.591 -6.271 1.00 1.01 C ATOM 1582 O LEU A 101 -0.787 -8.678 -7.004 1.00 1.25 O ATOM 1583 CB LEU A 101 -0.959 -8.146 -3.899 1.00 0.95 C ATOM 1584 CG LEU A 101 -1.667 -7.742 -2.600 1.00 1.19 C ATOM 1585 CD1 LEU A 101 -0.658 -7.133 -1.635 1.00 1.51 C ATOM 1586 CD2 LEU A 101 -2.737 -6.665 -2.839 1.00 1.52 C ATOM 0 H LEU A 101 -0.602 -10.704 -5.499 1.00 1.17 H new ATOM 0 HA LEU A 101 -2.790 -9.120 -4.488 1.00 0.98 H new ATOM 0 HB2 LEU A 101 -0.012 -8.622 -3.643 1.00 0.95 H new ATOM 0 HB3 LEU A 101 -0.720 -7.242 -4.458 1.00 0.95 H new ATOM 0 HG LEU A 101 -2.129 -8.645 -2.202 1.00 1.19 H new ATOM 0 HD11 LEU A 101 -1.164 -6.847 -0.713 1.00 1.51 H new ATOM 0 HD12 LEU A 101 0.119 -7.864 -1.411 1.00 1.51 H new ATOM 0 HD13 LEU A 101 -0.206 -6.251 -2.090 1.00 1.51 H new ATOM 0 HD21 LEU A 101 -3.213 -6.409 -1.893 1.00 1.52 H new ATOM 0 HD22 LEU A 101 -2.270 -5.776 -3.263 1.00 1.52 H new ATOM 0 HD23 LEU A 101 -3.488 -7.045 -3.532 1.00 1.52 H new ATOM 1598 N ASP A 102 -2.898 -8.009 -6.665 1.00 0.85 N ATOM 1599 CA ASP A 102 -3.137 -7.434 -7.993 1.00 0.81 C ATOM 1600 C ASP A 102 -3.347 -5.915 -7.900 1.00 0.84 C ATOM 1601 O ASP A 102 -4.425 -5.460 -7.520 1.00 0.99 O ATOM 1602 CB ASP A 102 -4.366 -8.126 -8.599 1.00 0.92 C ATOM 1603 CG ASP A 102 -4.034 -9.518 -9.142 1.00 1.04 C ATOM 1604 OD1 ASP A 102 -3.223 -9.597 -10.090 1.00 2.08 O ATOM 1605 OD2 ASP A 102 -4.569 -10.513 -8.601 1.00 1.93 O ATOM 0 H ASP A 102 -3.705 -7.919 -6.047 1.00 0.85 H new ATOM 0 HA ASP A 102 -2.270 -7.597 -8.633 1.00 0.81 H new ATOM 0 HB2 ASP A 102 -5.145 -8.209 -7.841 1.00 0.92 H new ATOM 0 HB3 ASP A 102 -4.768 -7.510 -9.403 1.00 0.92 H new ATOM 1610 N LEU A 103 -2.322 -5.117 -8.233 1.00 0.77 N ATOM 1611 CA LEU A 103 -2.310 -3.654 -8.104 1.00 0.69 C ATOM 1612 C LEU A 103 -3.071 -2.992 -9.263 1.00 0.62 C ATOM 1613 O LEU A 103 -2.696 -3.149 -10.425 1.00 0.64 O ATOM 1614 CB LEU A 103 -0.854 -3.145 -8.069 1.00 0.72 C ATOM 1615 CG LEU A 103 0.093 -3.818 -7.058 1.00 0.89 C ATOM 1616 CD1 LEU A 103 1.460 -3.120 -7.132 1.00 1.09 C ATOM 1617 CD2 LEU A 103 -0.453 -3.791 -5.625 1.00 1.41 C ATOM 0 H LEU A 103 -1.450 -5.486 -8.612 1.00 0.77 H new ATOM 0 HA LEU A 103 -2.810 -3.387 -7.173 1.00 0.69 H new ATOM 0 HB2 LEU A 103 -0.428 -3.265 -9.065 1.00 0.72 H new ATOM 0 HB3 LEU A 103 -0.873 -2.076 -7.857 1.00 0.72 H new ATOM 0 HG LEU A 103 0.187 -4.871 -7.324 1.00 0.89 H new ATOM 0 HD11 LEU A 103 2.144 -3.584 -6.422 1.00 1.09 H new ATOM 0 HD12 LEU A 103 1.863 -3.216 -8.140 1.00 1.09 H new ATOM 0 HD13 LEU A 103 1.343 -2.064 -6.887 1.00 1.09 H new ATOM 0 HD21 LEU A 103 0.256 -4.279 -4.956 1.00 1.41 H new ATOM 0 HD22 LEU A 103 -0.597 -2.758 -5.310 1.00 1.41 H new ATOM 0 HD23 LEU A 103 -1.407 -4.317 -5.589 1.00 1.41 H new ATOM 1629 N LEU A 104 -4.128 -2.236 -8.948 1.00 0.61 N ATOM 1630 CA LEU A 104 -5.101 -1.718 -9.917 1.00 0.60 C ATOM 1631 C LEU A 104 -4.730 -0.313 -10.386 1.00 0.58 C ATOM 1632 O LEU A 104 -4.653 0.622 -9.575 1.00 0.62 O ATOM 1633 CB LEU A 104 -6.514 -1.688 -9.301 1.00 0.63 C ATOM 1634 CG LEU A 104 -6.999 -2.979 -8.632 1.00 0.70 C ATOM 1635 CD1 LEU A 104 -8.437 -2.780 -8.138 1.00 0.75 C ATOM 1636 CD2 LEU A 104 -6.919 -4.207 -9.553 1.00 0.77 C ATOM 0 H LEU A 104 -4.336 -1.960 -7.988 1.00 0.61 H new ATOM 0 HA LEU A 104 -5.089 -2.388 -10.777 1.00 0.60 H new ATOM 0 HB2 LEU A 104 -6.546 -0.888 -8.561 1.00 0.63 H new ATOM 0 HB3 LEU A 104 -7.222 -1.424 -10.086 1.00 0.63 H new ATOM 0 HG LEU A 104 -6.331 -3.182 -7.795 1.00 0.70 H new ATOM 0 HD11 LEU A 104 -8.788 -3.695 -7.661 1.00 0.75 H new ATOM 0 HD12 LEU A 104 -8.464 -1.962 -7.418 1.00 0.75 H new ATOM 0 HD13 LEU A 104 -9.082 -2.541 -8.983 1.00 0.75 H new ATOM 0 HD21 LEU A 104 -7.277 -5.087 -9.018 1.00 0.77 H new ATOM 0 HD22 LEU A 104 -7.538 -4.041 -10.435 1.00 0.77 H new ATOM 0 HD23 LEU A 104 -5.885 -4.365 -9.860 1.00 0.77 H new ATOM 1648 N PHE A 105 -4.576 -0.137 -11.699 1.00 0.56 N ATOM 1649 CA PHE A 105 -4.178 1.144 -12.279 1.00 0.57 C ATOM 1650 C PHE A 105 -5.267 1.744 -13.184 1.00 0.65 C ATOM 1651 O PHE A 105 -5.845 1.076 -14.041 1.00 0.89 O ATOM 1652 CB PHE A 105 -2.855 0.973 -13.035 1.00 0.63 C ATOM 1653 CG PHE A 105 -1.680 0.591 -12.156 1.00 0.59 C ATOM 1654 CD1 PHE A 105 -0.954 1.595 -11.488 1.00 1.77 C ATOM 1655 CD2 PHE A 105 -1.315 -0.758 -11.987 1.00 1.64 C ATOM 1656 CE1 PHE A 105 0.129 1.259 -10.657 1.00 1.77 C ATOM 1657 CE2 PHE A 105 -0.244 -1.091 -11.139 1.00 1.69 C ATOM 1658 CZ PHE A 105 0.484 -0.087 -10.480 1.00 0.71 C ATOM 0 H PHE A 105 -4.723 -0.876 -12.387 1.00 0.56 H new ATOM 0 HA PHE A 105 -4.038 1.855 -11.465 1.00 0.57 H new ATOM 0 HB2 PHE A 105 -2.984 0.209 -13.802 1.00 0.63 H new ATOM 0 HB3 PHE A 105 -2.621 1.905 -13.550 1.00 0.63 H new ATOM 0 HD1 PHE A 105 -1.231 2.631 -11.615 1.00 1.77 H new ATOM 0 HD2 PHE A 105 -1.856 -1.535 -12.507 1.00 1.64 H new ATOM 0 HE1 PHE A 105 0.687 2.036 -10.155 1.00 1.77 H new ATOM 0 HE2 PHE A 105 0.021 -2.128 -10.993 1.00 1.69 H new ATOM 0 HZ PHE A 105 1.313 -0.350 -9.840 1.00 0.71 H new ATOM 1668 N ALA A 106 -5.505 3.050 -13.027 1.00 0.62 N ATOM 1669 CA ALA A 106 -6.550 3.818 -13.711 1.00 0.76 C ATOM 1670 C ALA A 106 -6.175 4.183 -15.160 1.00 1.71 C ATOM 1671 O ALA A 106 -6.013 5.362 -15.492 1.00 2.76 O ATOM 1672 CB ALA A 106 -6.881 5.033 -12.837 1.00 2.21 C ATOM 0 H ALA A 106 -4.951 3.625 -12.393 1.00 0.62 H new ATOM 0 HA ALA A 106 -7.445 3.207 -13.827 1.00 0.76 H new ATOM 0 HB1 ALA A 106 -7.657 5.627 -13.319 1.00 2.21 H new ATOM 0 HB2 ALA A 106 -7.235 4.695 -11.863 1.00 2.21 H new ATOM 0 HB3 ALA A 106 -5.986 5.642 -12.707 1.00 2.21 H new ATOM 1678 N GLY A 107 -6.013 3.146 -15.991 1.00 2.53 N ATOM 1679 CA GLY A 107 -5.620 3.207 -17.404 1.00 3.94 C ATOM 1680 C GLY A 107 -5.629 1.845 -18.113 1.00 3.52 C ATOM 1681 O GLY A 107 -4.767 1.594 -18.947 1.00 4.84 O ATOM 0 H GLY A 107 -6.161 2.187 -15.677 1.00 2.53 H new ATOM 0 HA2 GLY A 107 -6.294 3.883 -17.929 1.00 3.94 H new ATOM 0 HA3 GLY A 107 -4.620 3.635 -17.474 1.00 3.94 H new ATOM 1685 N GLY A 108 -6.543 0.937 -17.735 1.00 1.95 N ATOM 1686 CA GLY A 108 -6.675 -0.407 -18.331 1.00 1.66 C ATOM 1687 C GLY A 108 -5.647 -1.431 -17.834 1.00 1.25 C ATOM 1688 O GLY A 108 -5.662 -2.586 -18.254 1.00 1.41 O ATOM 0 H GLY A 108 -7.222 1.116 -16.996 1.00 1.95 H new ATOM 0 HA2 GLY A 108 -7.675 -0.786 -18.122 1.00 1.66 H new ATOM 0 HA3 GLY A 108 -6.587 -0.320 -19.414 1.00 1.66 H new ATOM 1692 N LYS A 109 -4.744 -1.030 -16.932 1.00 1.14 N ATOM 1693 CA LYS A 109 -3.721 -1.894 -16.354 1.00 0.90 C ATOM 1694 C LYS A 109 -4.091 -2.458 -14.982 1.00 0.84 C ATOM 1695 O LYS A 109 -4.669 -1.794 -14.128 1.00 0.92 O ATOM 1696 CB LYS A 109 -2.400 -1.116 -16.218 1.00 0.89 C ATOM 1697 CG LYS A 109 -1.492 -1.171 -17.446 1.00 1.20 C ATOM 1698 CD LYS A 109 -0.918 -2.547 -17.831 1.00 2.69 C ATOM 1699 CE LYS A 109 0.041 -3.095 -16.764 1.00 4.47 C ATOM 1700 NZ LYS A 109 0.681 -4.364 -17.194 1.00 6.59 N ATOM 0 H LYS A 109 -4.707 -0.074 -16.579 1.00 1.14 H new ATOM 0 HA LYS A 109 -3.622 -2.738 -17.037 1.00 0.90 H new ATOM 0 HB2 LYS A 109 -2.630 -0.073 -16.001 1.00 0.89 H new ATOM 0 HB3 LYS A 109 -1.852 -1.507 -15.361 1.00 0.89 H new ATOM 0 HG2 LYS A 109 -2.052 -0.787 -18.299 1.00 1.20 H new ATOM 0 HG3 LYS A 109 -0.657 -0.490 -17.281 1.00 1.20 H new ATOM 0 HD2 LYS A 109 -1.736 -3.252 -17.978 1.00 2.69 H new ATOM 0 HD3 LYS A 109 -0.392 -2.466 -18.782 1.00 2.69 H new ATOM 0 HE2 LYS A 109 0.811 -2.353 -16.553 1.00 4.47 H new ATOM 0 HE3 LYS A 109 -0.505 -3.260 -15.835 1.00 4.47 H new ATOM 0 HZ1 LYS A 109 0.466 -5.112 -16.505 1.00 6.59 H new ATOM 0 HZ2 LYS A 109 0.315 -4.638 -18.128 1.00 6.59 H new ATOM 0 HZ3 LYS A 109 1.711 -4.232 -17.251 1.00 6.59 H new ATOM 1714 N VAL A 110 -3.534 -3.632 -14.735 1.00 0.85 N ATOM 1715 CA VAL A 110 -3.239 -4.206 -13.426 1.00 0.86 C ATOM 1716 C VAL A 110 -1.810 -4.771 -13.477 1.00 1.07 C ATOM 1717 O VAL A 110 -1.334 -5.128 -14.563 1.00 1.41 O ATOM 1718 CB VAL A 110 -4.316 -5.252 -13.039 1.00 0.83 C ATOM 1719 CG1 VAL A 110 -4.557 -6.272 -14.163 1.00 1.03 C ATOM 1720 CG2 VAL A 110 -4.031 -6.010 -11.735 1.00 0.85 C ATOM 0 H VAL A 110 -3.256 -4.254 -15.494 1.00 0.85 H new ATOM 0 HA VAL A 110 -3.277 -3.454 -12.638 1.00 0.86 H new ATOM 0 HB VAL A 110 -5.212 -4.654 -12.876 1.00 0.83 H new ATOM 0 HG11 VAL A 110 -5.319 -6.986 -13.849 1.00 1.03 H new ATOM 0 HG12 VAL A 110 -4.894 -5.752 -15.060 1.00 1.03 H new ATOM 0 HG13 VAL A 110 -3.629 -6.802 -14.378 1.00 1.03 H new ATOM 0 HG21 VAL A 110 -4.836 -6.720 -11.543 1.00 0.85 H new ATOM 0 HG22 VAL A 110 -3.087 -6.547 -11.825 1.00 0.85 H new ATOM 0 HG23 VAL A 110 -3.968 -5.302 -10.909 1.00 0.85 H new ATOM 1730 N LEU A 111 -1.113 -4.809 -12.339 1.00 0.92 N ATOM 1731 CA LEU A 111 0.146 -5.544 -12.160 1.00 0.91 C ATOM 1732 C LEU A 111 -0.015 -6.552 -11.020 1.00 0.84 C ATOM 1733 O LEU A 111 -0.230 -6.157 -9.876 1.00 0.94 O ATOM 1734 CB LEU A 111 1.318 -4.593 -11.827 1.00 1.07 C ATOM 1735 CG LEU A 111 1.712 -3.581 -12.922 1.00 1.51 C ATOM 1736 CD1 LEU A 111 2.809 -2.638 -12.401 1.00 2.25 C ATOM 1737 CD2 LEU A 111 2.224 -4.290 -14.185 1.00 1.87 C ATOM 0 H LEU A 111 -1.413 -4.319 -11.496 1.00 0.92 H new ATOM 0 HA LEU A 111 0.374 -6.054 -13.096 1.00 0.91 H new ATOM 0 HB2 LEU A 111 1.062 -4.038 -10.925 1.00 1.07 H new ATOM 0 HB3 LEU A 111 2.193 -5.199 -11.591 1.00 1.07 H new ATOM 0 HG LEU A 111 0.819 -3.011 -13.178 1.00 1.51 H new ATOM 0 HD11 LEU A 111 3.079 -1.928 -13.182 1.00 2.25 H new ATOM 0 HD12 LEU A 111 2.440 -2.096 -11.530 1.00 2.25 H new ATOM 0 HD13 LEU A 111 3.687 -3.221 -12.121 1.00 2.25 H new ATOM 0 HD21 LEU A 111 2.493 -3.547 -14.936 1.00 1.87 H new ATOM 0 HD22 LEU A 111 3.101 -4.888 -13.936 1.00 1.87 H new ATOM 0 HD23 LEU A 111 1.442 -4.939 -14.580 1.00 1.87 H new ATOM 1749 N LYS A 112 0.156 -7.841 -11.315 1.00 1.01 N ATOM 1750 CA LYS A 112 0.268 -8.872 -10.281 1.00 1.15 C ATOM 1751 C LYS A 112 1.644 -8.801 -9.600 1.00 1.09 C ATOM 1752 O LYS A 112 2.666 -8.715 -10.285 1.00 1.33 O ATOM 1753 CB LYS A 112 0.002 -10.249 -10.913 1.00 1.53 C ATOM 1754 CG LYS A 112 0.108 -11.381 -9.876 1.00 1.43 C ATOM 1755 CD LYS A 112 -0.599 -12.669 -10.325 1.00 1.63 C ATOM 1756 CE LYS A 112 -2.125 -12.515 -10.291 1.00 2.14 C ATOM 1757 NZ LYS A 112 -2.613 -12.419 -8.901 1.00 2.78 N ATOM 0 H LYS A 112 0.220 -8.198 -12.268 1.00 1.01 H new ATOM 0 HA LYS A 112 -0.477 -8.705 -9.503 1.00 1.15 H new ATOM 0 HB2 LYS A 112 -0.992 -10.258 -11.361 1.00 1.53 H new ATOM 0 HB3 LYS A 112 0.716 -10.424 -11.717 1.00 1.53 H new ATOM 0 HG2 LYS A 112 1.160 -11.596 -9.687 1.00 1.43 H new ATOM 0 HG3 LYS A 112 -0.323 -11.045 -8.933 1.00 1.43 H new ATOM 0 HD2 LYS A 112 -0.281 -12.926 -11.335 1.00 1.63 H new ATOM 0 HD3 LYS A 112 -0.301 -13.493 -9.677 1.00 1.63 H new ATOM 0 HE2 LYS A 112 -2.417 -11.623 -10.846 1.00 2.14 H new ATOM 0 HE3 LYS A 112 -2.592 -13.366 -10.787 1.00 2.14 H new ATOM 0 HZ1 LYS A 112 -3.544 -11.956 -8.891 1.00 2.78 H new ATOM 0 HZ2 LYS A 112 -2.696 -13.373 -8.496 1.00 2.78 H new ATOM 0 HZ3 LYS A 112 -1.943 -11.860 -8.336 1.00 2.78 H new ATOM 1771 N VAL A 113 1.669 -8.859 -8.271 1.00 1.08 N ATOM 1772 CA VAL A 113 2.875 -8.890 -7.432 1.00 1.08 C ATOM 1773 C VAL A 113 2.674 -9.884 -6.285 1.00 1.10 C ATOM 1774 O VAL A 113 1.565 -10.006 -5.772 1.00 1.07 O ATOM 1775 CB VAL A 113 3.224 -7.491 -6.864 1.00 1.19 C ATOM 1776 CG1 VAL A 113 3.629 -6.506 -7.976 1.00 1.31 C ATOM 1777 CG2 VAL A 113 2.109 -6.861 -6.011 1.00 1.48 C ATOM 0 H VAL A 113 0.812 -8.887 -7.719 1.00 1.08 H new ATOM 0 HA VAL A 113 3.710 -9.205 -8.058 1.00 1.08 H new ATOM 0 HB VAL A 113 4.072 -7.672 -6.204 1.00 1.19 H new ATOM 0 HG11 VAL A 113 3.866 -5.537 -7.536 1.00 1.31 H new ATOM 0 HG12 VAL A 113 4.504 -6.890 -8.501 1.00 1.31 H new ATOM 0 HG13 VAL A 113 2.804 -6.393 -8.680 1.00 1.31 H new ATOM 0 HG21 VAL A 113 2.433 -5.884 -5.652 1.00 1.48 H new ATOM 0 HG22 VAL A 113 1.210 -6.745 -6.616 1.00 1.48 H new ATOM 0 HG23 VAL A 113 1.893 -7.507 -5.160 1.00 1.48 H new ATOM 1787 N VAL A 114 3.744 -10.574 -5.877 1.00 1.28 N ATOM 1788 CA VAL A 114 3.735 -11.486 -4.721 1.00 1.39 C ATOM 1789 C VAL A 114 4.837 -11.090 -3.731 1.00 1.45 C ATOM 1790 O VAL A 114 5.995 -10.942 -4.114 1.00 1.88 O ATOM 1791 CB VAL A 114 3.801 -12.971 -5.158 1.00 1.92 C ATOM 1792 CG1 VAL A 114 5.073 -13.330 -5.946 1.00 1.90 C ATOM 1793 CG2 VAL A 114 3.638 -13.922 -3.961 1.00 2.75 C ATOM 0 H VAL A 114 4.650 -10.517 -6.342 1.00 1.28 H new ATOM 0 HA VAL A 114 2.784 -11.386 -4.198 1.00 1.39 H new ATOM 0 HB VAL A 114 2.960 -13.103 -5.838 1.00 1.92 H new ATOM 0 HG11 VAL A 114 5.047 -14.385 -6.217 1.00 1.90 H new ATOM 0 HG12 VAL A 114 5.124 -12.724 -6.851 1.00 1.90 H new ATOM 0 HG13 VAL A 114 5.950 -13.135 -5.329 1.00 1.90 H new ATOM 0 HG21 VAL A 114 3.690 -14.954 -4.307 1.00 2.75 H new ATOM 0 HG22 VAL A 114 4.436 -13.740 -3.241 1.00 2.75 H new ATOM 0 HG23 VAL A 114 2.673 -13.747 -3.486 1.00 2.75 H new ATOM 1803 N LEU A 115 4.452 -10.864 -2.469 1.00 1.20 N ATOM 1804 CA LEU A 115 5.326 -10.420 -1.383 1.00 1.31 C ATOM 1805 C LEU A 115 5.335 -11.440 -0.226 1.00 1.39 C ATOM 1806 O LEU A 115 4.335 -12.141 -0.045 1.00 1.49 O ATOM 1807 CB LEU A 115 4.810 -9.076 -0.829 1.00 1.21 C ATOM 1808 CG LEU A 115 4.690 -7.863 -1.773 1.00 1.19 C ATOM 1809 CD1 LEU A 115 5.903 -7.682 -2.698 1.00 3.34 C ATOM 1810 CD2 LEU A 115 3.387 -7.836 -2.584 1.00 2.89 C ATOM 0 H LEU A 115 3.486 -10.991 -2.168 1.00 1.20 H new ATOM 0 HA LEU A 115 6.335 -10.318 -1.783 1.00 1.31 H new ATOM 0 HB2 LEU A 115 3.824 -9.256 -0.401 1.00 1.21 H new ATOM 0 HB3 LEU A 115 5.466 -8.787 -0.008 1.00 1.21 H new ATOM 0 HG LEU A 115 4.666 -7.010 -1.095 1.00 1.19 H new ATOM 0 HD11 LEU A 115 5.749 -6.810 -3.334 1.00 3.34 H new ATOM 0 HD12 LEU A 115 6.801 -7.539 -2.097 1.00 3.34 H new ATOM 0 HD13 LEU A 115 6.021 -8.569 -3.321 1.00 3.34 H new ATOM 0 HD21 LEU A 115 3.375 -6.954 -3.224 1.00 2.89 H new ATOM 0 HD22 LEU A 115 3.323 -8.733 -3.200 1.00 2.89 H new ATOM 0 HD23 LEU A 115 2.536 -7.802 -1.904 1.00 2.89 H new ATOM 1822 N PRO A 116 6.389 -11.485 0.609 1.00 1.38 N ATOM 1823 CA PRO A 116 6.354 -12.115 1.926 1.00 1.27 C ATOM 1824 C PRO A 116 5.602 -11.246 2.951 1.00 1.09 C ATOM 1825 O PRO A 116 5.403 -10.045 2.759 1.00 1.23 O ATOM 1826 CB PRO A 116 7.827 -12.272 2.321 1.00 1.38 C ATOM 1827 CG PRO A 116 8.488 -11.060 1.667 1.00 1.46 C ATOM 1828 CD PRO A 116 7.711 -10.924 0.357 1.00 1.45 C ATOM 0 HA PRO A 116 5.825 -13.068 1.903 1.00 1.27 H new ATOM 0 HB2 PRO A 116 7.957 -12.268 3.403 1.00 1.38 H new ATOM 0 HB3 PRO A 116 8.246 -13.208 1.953 1.00 1.38 H new ATOM 0 HG2 PRO A 116 8.400 -10.167 2.286 1.00 1.46 H new ATOM 0 HG3 PRO A 116 9.552 -11.223 1.493 1.00 1.46 H new ATOM 0 HD2 PRO A 116 7.639 -9.880 0.053 1.00 1.45 H new ATOM 0 HD3 PRO A 116 8.213 -11.457 -0.451 1.00 1.45 H new ATOM 1836 N VAL A 117 5.228 -11.838 4.083 1.00 0.90 N ATOM 1837 CA VAL A 117 4.750 -11.122 5.277 1.00 0.84 C ATOM 1838 C VAL A 117 5.873 -10.921 6.312 1.00 0.89 C ATOM 1839 O VAL A 117 6.656 -11.835 6.556 1.00 1.03 O ATOM 1840 CB VAL A 117 3.545 -11.870 5.882 1.00 0.93 C ATOM 1841 CG1 VAL A 117 3.223 -11.523 7.334 1.00 0.92 C ATOM 1842 CG2 VAL A 117 2.284 -11.596 5.057 1.00 1.19 C ATOM 0 H VAL A 117 5.247 -12.851 4.205 1.00 0.90 H new ATOM 0 HA VAL A 117 4.427 -10.125 4.977 1.00 0.84 H new ATOM 0 HB VAL A 117 3.842 -12.918 5.859 1.00 0.93 H new ATOM 0 HG11 VAL A 117 2.360 -12.102 7.664 1.00 0.92 H new ATOM 0 HG12 VAL A 117 4.081 -11.759 7.963 1.00 0.92 H new ATOM 0 HG13 VAL A 117 2.997 -10.459 7.413 1.00 0.92 H new ATOM 0 HG21 VAL A 117 1.440 -12.130 5.494 1.00 1.19 H new ATOM 0 HG22 VAL A 117 2.075 -10.526 5.056 1.00 1.19 H new ATOM 0 HG23 VAL A 117 2.438 -11.937 4.033 1.00 1.19 H new ATOM 1852 N GLU A 118 5.895 -9.761 6.983 1.00 0.88 N ATOM 1853 CA GLU A 118 6.850 -9.392 8.039 1.00 0.97 C ATOM 1854 C GLU A 118 6.222 -8.510 9.139 1.00 1.12 C ATOM 1855 O GLU A 118 5.197 -7.860 8.945 1.00 1.36 O ATOM 1856 CB GLU A 118 8.026 -8.602 7.451 1.00 1.16 C ATOM 1857 CG GLU A 118 9.029 -9.391 6.608 1.00 2.28 C ATOM 1858 CD GLU A 118 10.334 -8.597 6.483 1.00 2.99 C ATOM 1859 OE1 GLU A 118 10.250 -7.348 6.485 1.00 3.47 O ATOM 1860 OE2 GLU A 118 11.404 -9.240 6.455 1.00 3.99 O ATOM 0 H GLU A 118 5.218 -9.021 6.797 1.00 0.88 H new ATOM 0 HA GLU A 118 7.177 -10.335 8.478 1.00 0.97 H new ATOM 0 HB2 GLU A 118 7.622 -7.798 6.836 1.00 1.16 H new ATOM 0 HB3 GLU A 118 8.567 -8.133 8.273 1.00 1.16 H new ATOM 0 HG2 GLU A 118 9.224 -10.360 7.069 1.00 2.28 H new ATOM 0 HG3 GLU A 118 8.614 -9.586 5.619 1.00 2.28 H new ATOM 1867 N ALA A 119 6.885 -8.436 10.298 1.00 1.27 N ATOM 1868 CA ALA A 119 6.511 -7.613 11.456 1.00 1.57 C ATOM 1869 C ALA A 119 6.882 -6.129 11.254 1.00 1.89 C ATOM 1870 O ALA A 119 7.770 -5.612 11.941 1.00 2.50 O ATOM 1871 CB ALA A 119 7.190 -8.229 12.694 1.00 1.99 C ATOM 0 H ALA A 119 7.737 -8.973 10.463 1.00 1.27 H new ATOM 0 HA ALA A 119 5.429 -7.615 11.590 1.00 1.57 H new ATOM 0 HB1 ALA A 119 6.935 -7.644 13.578 1.00 1.99 H new ATOM 0 HB2 ALA A 119 6.845 -9.254 12.826 1.00 1.99 H new ATOM 0 HB3 ALA A 119 8.271 -8.225 12.556 1.00 1.99 H new ATOM 1877 N ARG A 120 6.291 -5.474 10.250 1.00 1.98 N ATOM 1878 CA ARG A 120 6.566 -4.073 9.864 1.00 2.42 C ATOM 1879 C ARG A 120 5.394 -3.153 10.231 1.00 2.36 C ATOM 1880 O ARG A 120 5.110 -3.070 11.445 1.00 2.13 O ATOM 1881 CB ARG A 120 6.976 -4.036 8.374 1.00 3.01 C ATOM 1882 CG ARG A 120 8.150 -4.960 7.955 1.00 3.54 C ATOM 1883 CD ARG A 120 9.540 -4.565 8.464 1.00 3.25 C ATOM 1884 NE ARG A 120 9.620 -4.695 9.921 1.00 3.09 N ATOM 1885 CZ ARG A 120 10.361 -4.007 10.751 1.00 3.47 C ATOM 1886 NH1 ARG A 120 11.315 -3.225 10.336 1.00 4.04 N ATOM 1887 NH2 ARG A 120 10.114 -4.102 12.022 1.00 4.41 N ATOM 1888 OXT ARG A 120 4.718 -2.606 9.335 1.00 3.26 O ATOM 0 H ARG A 120 5.584 -5.912 9.660 1.00 1.98 H new ATOM 0 HA ARG A 120 7.406 -3.676 10.433 1.00 2.42 H new ATOM 0 HB2 ARG A 120 6.105 -4.298 7.774 1.00 3.01 H new ATOM 0 HB3 ARG A 120 7.242 -3.010 8.119 1.00 3.01 H new ATOM 0 HG2 ARG A 120 7.932 -5.969 8.304 1.00 3.54 H new ATOM 0 HG3 ARG A 120 8.183 -4.999 6.866 1.00 3.54 H new ATOM 0 HD2 ARG A 120 10.296 -5.196 7.997 1.00 3.25 H new ATOM 0 HD3 ARG A 120 9.759 -3.537 8.174 1.00 3.25 H new ATOM 0 HE ARG A 120 9.025 -5.410 10.340 1.00 3.09 H new ATOM 0 HH11 ARG A 120 11.503 -3.135 9.337 1.00 4.04 H new ATOM 0 HH12 ARG A 120 11.875 -2.702 11.009 1.00 4.04 H new ATOM 0 HH21 ARG A 120 9.358 -4.702 12.351 1.00 4.41 H new ATOM 0 HH22 ARG A 120 10.676 -3.577 12.691 1.00 4.41 H new TER 1902 ARG A 120