USER MOD reduce.3.24.130724 H: found=0, std=0, add=1076, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 1077 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 34 THR OG1 : rot -70:sc= 0.399 USER MOD Set 1.2: A 39 LYS NZ :NH3+ -163:sc= 1.32 (180deg=-0.00815) USER MOD Single : A 3 THR OG1 : rot -124:sc= -0.968 USER MOD Single : A 9 SER OG : rot 92:sc= -0.326 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 170:sc= -0.0151 (180deg=-0.147) USER MOD Single : A 25 SER OG : rot 33:sc= -0.398 USER MOD Single : A 28 ASN : amide:sc=-0.00342 X(o=-0.0034,f=-0.0019) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 39:sc= -0.0571 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 144:sc= -1.01 (180deg=-2.95!) USER MOD Single : A 50 GLN : amide:sc= -0.0813 X(o=-0.081,f=-0.1) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 30:sc= -0.464 USER MOD Single : A 74 GLN : amide:sc= -1.46 K(o=-1.5,f=-2.6!) USER MOD Single : A 75 LYS NZ :NH3+ -169:sc= 0.477 (180deg=0.409) USER MOD Single : A 84 LYS NZ :NH3+ 146:sc= 0.58 (180deg=-1.71!) USER MOD Single : A 87 GLN : amide:sc= -0.0589 X(o=-0.059,f=-0.18) USER MOD Single : A 89 GLN : amide:sc= -0.0292 X(o=-0.029,f=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= 0.352 X(o=0.35,f=0) USER MOD Single : A 100 LYS NZ :NH3+ -122:sc= -1.21! (180deg=-5.21!) USER MOD Single : A 101 LYS NZ :NH3+ 174:sc= 0.709 (180deg=0.639) USER MOD Single : A 109 THR OG1 : rot -75:sc= 0.342 USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0.356 (180deg=0.356) USER MOD Single : A 117 LYS NZ :NH3+ -121:sc= 0.156 (180deg=-0.0595) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 LYS NZ :NH3+ -132:sc= 1.22 (180deg=-1.26) USER MOD ----------------------------------------------------------------- ATOM 20 N GLY A 2 0.211 -13.902 0.155 1.00 65.25 N ATOM 21 CA GLY A 2 -0.515 -12.761 0.726 1.00 14.33 C ATOM 22 C GLY A 2 -0.541 -11.564 -0.225 1.00 41.52 C ATOM 23 O GLY A 2 0.297 -11.474 -1.128 1.00 63.30 O ATOM 0 HA2 GLY A 2 -1.537 -13.061 0.959 1.00 14.33 H new ATOM 0 HA3 GLY A 2 -0.047 -12.467 1.666 1.00 14.33 H new ATOM 27 N THR A 3 -1.507 -10.649 -0.035 1.00 51.01 N ATOM 28 CA THR A 3 -1.602 -9.413 -0.828 1.00 71.35 C ATOM 29 C THR A 3 -0.898 -8.270 -0.083 1.00 53.50 C ATOM 30 O THR A 3 -0.773 -8.306 1.150 1.00 31.01 O ATOM 31 CB THR A 3 -3.094 -9.037 -1.119 1.00 3.51 C ATOM 32 OG1 THR A 3 -3.828 -8.909 0.109 1.00 21.35 O ATOM 33 CG2 THR A 3 -3.782 -10.085 -2.011 1.00 45.12 C ATOM 0 H THR A 3 -2.239 -10.745 0.668 1.00 51.01 H new ATOM 0 HA THR A 3 -1.111 -9.578 -1.787 1.00 71.35 H new ATOM 0 HB THR A 3 -3.088 -8.084 -1.647 1.00 3.51 H new ATOM 0 HG1 THR A 3 -4.606 -9.504 0.088 1.00 21.35 H new ATOM 0 HG21 THR A 3 -4.815 -9.788 -2.190 1.00 45.12 H new ATOM 0 HG22 THR A 3 -3.255 -10.156 -2.962 1.00 45.12 H new ATOM 0 HG23 THR A 3 -3.764 -11.055 -1.513 1.00 45.12 H new ATOM 41 N VAL A 4 -0.422 -7.266 -0.836 1.00 12.23 N ATOM 42 CA VAL A 4 0.302 -6.117 -0.279 1.00 23.21 C ATOM 43 C VAL A 4 -0.370 -4.861 -0.836 1.00 55.01 C ATOM 44 O VAL A 4 -0.357 -4.639 -2.053 1.00 61.43 O ATOM 45 CB VAL A 4 1.847 -6.133 -0.654 1.00 33.02 C ATOM 46 CG1 VAL A 4 2.620 -5.027 0.111 1.00 43.44 C ATOM 47 CG2 VAL A 4 2.485 -7.525 -0.408 1.00 24.30 C ATOM 0 H VAL A 4 -0.530 -7.230 -1.850 1.00 12.23 H new ATOM 0 HA VAL A 4 0.258 -6.149 0.810 1.00 23.21 H new ATOM 0 HB VAL A 4 1.922 -5.923 -1.721 1.00 33.02 H new ATOM 0 HG11 VAL A 4 3.674 -5.062 -0.165 1.00 43.44 H new ATOM 0 HG12 VAL A 4 2.209 -4.051 -0.147 1.00 43.44 H new ATOM 0 HG13 VAL A 4 2.521 -5.190 1.184 1.00 43.44 H new ATOM 0 HG21 VAL A 4 3.541 -7.494 -0.677 1.00 24.30 H new ATOM 0 HG22 VAL A 4 2.386 -7.790 0.645 1.00 24.30 H new ATOM 0 HG23 VAL A 4 1.977 -8.271 -1.019 1.00 24.30 H new ATOM 57 N VAL A 5 -0.989 -4.064 0.047 1.00 23.31 N ATOM 58 CA VAL A 5 -1.695 -2.830 -0.329 1.00 51.54 C ATOM 59 C VAL A 5 -1.069 -1.642 0.423 1.00 25.12 C ATOM 60 O VAL A 5 -1.110 -1.571 1.644 1.00 45.31 O ATOM 61 CB VAL A 5 -3.262 -2.948 -0.098 1.00 10.41 C ATOM 62 CG1 VAL A 5 -3.888 -3.951 -1.092 1.00 43.31 C ATOM 63 CG2 VAL A 5 -3.626 -3.350 1.349 1.00 4.10 C ATOM 0 H VAL A 5 -1.014 -4.258 1.048 1.00 23.31 H new ATOM 0 HA VAL A 5 -1.575 -2.660 -1.399 1.00 51.54 H new ATOM 0 HB VAL A 5 -3.673 -1.954 -0.273 1.00 10.41 H new ATOM 0 HG11 VAL A 5 -4.962 -4.016 -0.916 1.00 43.31 H new ATOM 0 HG12 VAL A 5 -3.708 -3.613 -2.112 1.00 43.31 H new ATOM 0 HG13 VAL A 5 -3.437 -4.933 -0.950 1.00 43.31 H new ATOM 0 HG21 VAL A 5 -4.710 -3.415 1.447 1.00 4.10 H new ATOM 0 HG22 VAL A 5 -3.182 -4.318 1.580 1.00 4.10 H new ATOM 0 HG23 VAL A 5 -3.243 -2.601 2.042 1.00 4.10 H new ATOM 73 N ILE A 6 -0.435 -0.730 -0.323 1.00 55.13 N ATOM 74 CA ILE A 6 0.343 0.378 0.249 1.00 30.45 C ATOM 75 C ILE A 6 -0.512 1.654 0.239 1.00 14.45 C ATOM 76 O ILE A 6 -0.851 2.150 -0.831 1.00 42.31 O ATOM 77 CB ILE A 6 1.699 0.629 -0.542 1.00 33.00 C ATOM 78 CG1 ILE A 6 2.642 -0.635 -0.548 1.00 2.42 C ATOM 79 CG2 ILE A 6 2.459 1.855 0.024 1.00 4.34 C ATOM 80 CD1 ILE A 6 2.240 -1.767 -1.488 1.00 31.11 C ATOM 0 H ILE A 6 -0.446 -0.738 -1.343 1.00 55.13 H new ATOM 0 HA ILE A 6 0.610 0.109 1.271 1.00 30.45 H new ATOM 0 HB ILE A 6 1.416 0.831 -1.575 1.00 33.00 H new ATOM 0 HG12 ILE A 6 3.649 -0.311 -0.812 1.00 2.42 H new ATOM 0 HG13 ILE A 6 2.691 -1.032 0.466 1.00 2.42 H new ATOM 0 HG21 ILE A 6 3.382 2.002 -0.537 1.00 4.34 H new ATOM 0 HG22 ILE A 6 1.834 2.744 -0.066 1.00 4.34 H new ATOM 0 HG23 ILE A 6 2.696 1.683 1.074 1.00 4.34 H new ATOM 0 HD11 ILE A 6 2.961 -2.581 -1.407 1.00 31.11 H new ATOM 0 HD12 ILE A 6 1.249 -2.131 -1.216 1.00 31.11 H new ATOM 0 HD13 ILE A 6 2.222 -1.399 -2.514 1.00 31.11 H new ATOM 92 N VAL A 7 -0.851 2.178 1.429 1.00 64.15 N ATOM 93 CA VAL A 7 -1.614 3.427 1.564 1.00 41.14 C ATOM 94 C VAL A 7 -0.650 4.609 1.544 1.00 12.23 C ATOM 95 O VAL A 7 0.148 4.793 2.461 1.00 71.45 O ATOM 96 CB VAL A 7 -2.458 3.477 2.890 1.00 75.23 C ATOM 97 CG1 VAL A 7 -3.233 4.810 3.033 1.00 22.22 C ATOM 98 CG2 VAL A 7 -3.416 2.291 2.955 1.00 71.32 C ATOM 0 H VAL A 7 -0.604 1.748 2.321 1.00 64.15 H new ATOM 0 HA VAL A 7 -2.311 3.476 0.727 1.00 41.14 H new ATOM 0 HB VAL A 7 -1.760 3.416 3.725 1.00 75.23 H new ATOM 0 HG11 VAL A 7 -3.802 4.802 3.962 1.00 22.22 H new ATOM 0 HG12 VAL A 7 -2.528 5.641 3.047 1.00 22.22 H new ATOM 0 HG13 VAL A 7 -3.915 4.927 2.191 1.00 22.22 H new ATOM 0 HG21 VAL A 7 -3.993 2.340 3.878 1.00 71.32 H new ATOM 0 HG22 VAL A 7 -4.093 2.323 2.102 1.00 71.32 H new ATOM 0 HG23 VAL A 7 -2.847 1.362 2.931 1.00 71.32 H new ATOM 108 N VAL A 8 -0.718 5.367 0.463 1.00 72.52 N ATOM 109 CA VAL A 8 0.032 6.594 0.264 1.00 11.10 C ATOM 110 C VAL A 8 -0.930 7.785 0.386 1.00 65.32 C ATOM 111 O VAL A 8 -2.069 7.707 -0.091 1.00 11.21 O ATOM 112 CB VAL A 8 0.706 6.616 -1.154 1.00 32.55 C ATOM 113 CG1 VAL A 8 1.511 7.909 -1.364 1.00 34.11 C ATOM 114 CG2 VAL A 8 1.573 5.359 -1.402 1.00 0.32 C ATOM 0 H VAL A 8 -1.319 5.136 -0.328 1.00 72.52 H new ATOM 0 HA VAL A 8 0.816 6.655 1.018 1.00 11.10 H new ATOM 0 HB VAL A 8 -0.094 6.598 -1.894 1.00 32.55 H new ATOM 0 HG11 VAL A 8 1.967 7.897 -2.354 1.00 34.11 H new ATOM 0 HG12 VAL A 8 0.846 8.769 -1.281 1.00 34.11 H new ATOM 0 HG13 VAL A 8 2.291 7.979 -0.606 1.00 34.11 H new ATOM 0 HG21 VAL A 8 2.020 5.415 -2.394 1.00 0.32 H new ATOM 0 HG22 VAL A 8 2.361 5.307 -0.651 1.00 0.32 H new ATOM 0 HG23 VAL A 8 0.949 4.468 -1.335 1.00 0.32 H new ATOM 124 N SER A 9 -0.471 8.858 1.033 1.00 5.13 N ATOM 125 CA SER A 9 -1.163 10.155 1.066 1.00 32.23 C ATOM 126 C SER A 9 -0.205 11.206 1.632 1.00 73.50 C ATOM 127 O SER A 9 0.575 10.904 2.540 1.00 60.03 O ATOM 128 CB SER A 9 -2.467 10.096 1.900 1.00 2.24 C ATOM 129 OG SER A 9 -2.215 9.730 3.241 1.00 55.42 O ATOM 0 H SER A 9 0.404 8.854 1.557 1.00 5.13 H new ATOM 0 HA SER A 9 -1.455 10.423 0.051 1.00 32.23 H new ATOM 0 HB2 SER A 9 -2.959 11.068 1.875 1.00 2.24 H new ATOM 0 HB3 SER A 9 -3.154 9.379 1.450 1.00 2.24 H new ATOM 0 HG SER A 9 -2.091 10.537 3.783 1.00 55.42 H new ATOM 135 N ASN A 10 -0.256 12.426 1.081 1.00 32.21 N ATOM 136 CA ASN A 10 0.624 13.535 1.491 1.00 34.42 C ATOM 137 C ASN A 10 0.262 14.033 2.909 1.00 74.12 C ATOM 138 O ASN A 10 1.131 14.498 3.649 1.00 20.11 O ATOM 139 CB ASN A 10 0.545 14.695 0.462 1.00 42.32 C ATOM 140 CG ASN A 10 1.519 15.846 0.775 1.00 24.43 C ATOM 141 OD1 ASN A 10 1.182 16.793 1.492 1.00 1.42 O ATOM 142 ND2 ASN A 10 2.736 15.767 0.255 1.00 3.22 N ATOM 0 H ASN A 10 -0.908 12.675 0.337 1.00 32.21 H new ATOM 0 HA ASN A 10 1.650 13.167 1.518 1.00 34.42 H new ATOM 0 HB2 ASN A 10 0.760 14.305 -0.533 1.00 42.32 H new ATOM 0 HB3 ASN A 10 -0.473 15.084 0.439 1.00 42.32 H new ATOM 0 HD21 ASN A 10 3.420 16.500 0.444 1.00 3.22 H new ATOM 0 HD22 ASN A 10 2.988 14.973 -0.334 1.00 3.22 H new ATOM 149 N ASP A 11 -1.026 13.923 3.276 1.00 21.45 N ATOM 150 CA ASP A 11 -1.527 14.366 4.598 1.00 40.45 C ATOM 151 C ASP A 11 -1.450 13.227 5.637 1.00 71.33 C ATOM 152 O ASP A 11 -1.713 12.056 5.327 1.00 52.43 O ATOM 153 CB ASP A 11 -2.972 14.904 4.476 1.00 51.12 C ATOM 154 CG ASP A 11 -3.577 15.366 5.817 1.00 74.44 C ATOM 155 OD1 ASP A 11 -3.015 16.288 6.447 1.00 42.25 O ATOM 156 OD2 ASP A 11 -4.598 14.807 6.255 1.00 1.03 O ATOM 0 H ASP A 11 -1.748 13.528 2.673 1.00 21.45 H new ATOM 0 HA ASP A 11 -0.886 15.175 4.948 1.00 40.45 H new ATOM 0 HB2 ASP A 11 -2.981 15.740 3.776 1.00 51.12 H new ATOM 0 HB3 ASP A 11 -3.605 14.125 4.051 1.00 51.12 H new ATOM 161 N GLU A 12 -1.096 13.620 6.873 1.00 64.33 N ATOM 162 CA GLU A 12 -0.950 12.725 8.038 1.00 33.12 C ATOM 163 C GLU A 12 -2.307 12.149 8.468 1.00 41.42 C ATOM 164 O GLU A 12 -2.441 10.950 8.721 1.00 60.53 O ATOM 165 CB GLU A 12 -0.328 13.541 9.200 1.00 25.20 C ATOM 166 CG GLU A 12 -0.164 12.796 10.542 1.00 23.11 C ATOM 167 CD GLU A 12 0.199 13.753 11.687 1.00 31.23 C ATOM 168 OE1 GLU A 12 -0.717 14.408 12.229 1.00 43.40 O ATOM 169 OE2 GLU A 12 1.396 13.891 12.016 1.00 64.44 O ATOM 0 H GLU A 12 -0.898 14.595 7.097 1.00 64.33 H new ATOM 0 HA GLU A 12 -0.307 11.886 7.772 1.00 33.12 H new ATOM 0 HB2 GLU A 12 0.652 13.897 8.883 1.00 25.20 H new ATOM 0 HB3 GLU A 12 -0.947 14.422 9.370 1.00 25.20 H new ATOM 0 HG2 GLU A 12 -1.091 12.275 10.784 1.00 23.11 H new ATOM 0 HG3 GLU A 12 0.612 12.037 10.443 1.00 23.11 H new ATOM 176 N ARG A 13 -3.319 13.026 8.515 1.00 24.43 N ATOM 177 CA ARG A 13 -4.626 12.710 9.109 1.00 32.11 C ATOM 178 C ARG A 13 -5.444 11.791 8.201 1.00 25.13 C ATOM 179 O ARG A 13 -6.339 11.090 8.680 1.00 3.13 O ATOM 180 CB ARG A 13 -5.421 13.987 9.487 1.00 54.35 C ATOM 181 CG ARG A 13 -4.732 14.895 10.549 1.00 24.13 C ATOM 182 CD ARG A 13 -3.565 15.745 9.988 1.00 12.12 C ATOM 183 NE ARG A 13 -2.744 16.359 11.047 1.00 25.21 N ATOM 184 CZ ARG A 13 -2.283 17.621 11.049 1.00 43.21 C ATOM 185 NH1 ARG A 13 -2.553 18.461 10.049 1.00 41.21 N ATOM 186 NH2 ARG A 13 -1.515 18.027 12.044 1.00 10.31 N ATOM 0 H ARG A 13 -3.255 13.974 8.143 1.00 24.43 H new ATOM 0 HA ARG A 13 -4.431 12.172 10.037 1.00 32.11 H new ATOM 0 HB2 ARG A 13 -5.591 14.573 8.584 1.00 54.35 H new ATOM 0 HB3 ARG A 13 -6.400 13.690 9.863 1.00 54.35 H new ATOM 0 HG2 ARG A 13 -5.478 15.561 10.982 1.00 24.13 H new ATOM 0 HG3 ARG A 13 -4.356 14.269 11.358 1.00 24.13 H new ATOM 0 HD2 ARG A 13 -2.932 15.116 9.363 1.00 12.12 H new ATOM 0 HD3 ARG A 13 -3.968 16.529 9.347 1.00 12.12 H new ATOM 0 HE ARG A 13 -2.505 15.775 11.848 1.00 25.21 H new ATOM 0 HH11 ARG A 13 -3.121 18.150 9.261 1.00 41.21 H new ATOM 0 HH12 ARG A 13 -2.192 19.415 10.072 1.00 41.21 H new ATOM 0 HH21 ARG A 13 -1.278 17.385 12.800 1.00 10.31 H new ATOM 0 HH22 ARG A 13 -1.159 18.983 12.056 1.00 10.31 H new ATOM 200 N ILE A 14 -5.158 11.831 6.880 1.00 34.32 N ATOM 201 CA ILE A 14 -5.703 10.853 5.924 1.00 45.54 C ATOM 202 C ILE A 14 -5.196 9.436 6.294 1.00 11.34 C ATOM 203 O ILE A 14 -5.987 8.503 6.382 1.00 31.32 O ATOM 204 CB ILE A 14 -5.337 11.198 4.424 1.00 51.01 C ATOM 205 CG1 ILE A 14 -5.904 12.591 4.011 1.00 62.31 C ATOM 206 CG2 ILE A 14 -5.851 10.106 3.453 1.00 1.32 C ATOM 207 CD1 ILE A 14 -5.544 13.028 2.595 1.00 23.43 C ATOM 0 H ILE A 14 -4.552 12.533 6.456 1.00 34.32 H new ATOM 0 HA ILE A 14 -6.790 10.890 5.994 1.00 45.54 H new ATOM 0 HB ILE A 14 -4.250 11.233 4.358 1.00 51.01 H new ATOM 0 HG12 ILE A 14 -6.990 12.569 4.106 1.00 62.31 H new ATOM 0 HG13 ILE A 14 -5.538 13.340 4.713 1.00 62.31 H new ATOM 0 HG21 ILE A 14 -5.583 10.373 2.431 1.00 1.32 H new ATOM 0 HG22 ILE A 14 -5.397 9.149 3.709 1.00 1.32 H new ATOM 0 HG23 ILE A 14 -6.935 10.027 3.535 1.00 1.32 H new ATOM 0 HD11 ILE A 14 -5.980 14.007 2.394 1.00 23.43 H new ATOM 0 HD12 ILE A 14 -4.460 13.086 2.497 1.00 23.43 H new ATOM 0 HD13 ILE A 14 -5.934 12.304 1.880 1.00 23.43 H new ATOM 219 N LEU A 15 -3.872 9.305 6.553 1.00 41.21 N ATOM 220 CA LEU A 15 -3.251 8.020 6.981 1.00 2.34 C ATOM 221 C LEU A 15 -3.885 7.484 8.290 1.00 72.31 C ATOM 222 O LEU A 15 -4.116 6.284 8.424 1.00 3.21 O ATOM 223 CB LEU A 15 -1.706 8.171 7.154 1.00 1.13 C ATOM 224 CG LEU A 15 -0.877 8.339 5.845 1.00 54.03 C ATOM 225 CD1 LEU A 15 0.613 8.607 6.148 1.00 54.30 C ATOM 226 CD2 LEU A 15 -1.043 7.108 4.920 1.00 30.21 C ATOM 0 H LEU A 15 -3.208 10.075 6.473 1.00 41.21 H new ATOM 0 HA LEU A 15 -3.444 7.294 6.191 1.00 2.34 H new ATOM 0 HB2 LEU A 15 -1.516 9.034 7.792 1.00 1.13 H new ATOM 0 HB3 LEU A 15 -1.334 7.294 7.684 1.00 1.13 H new ATOM 0 HG LEU A 15 -1.267 9.211 5.320 1.00 54.03 H new ATOM 0 HD11 LEU A 15 1.160 8.719 5.212 1.00 54.30 H new ATOM 0 HD12 LEU A 15 0.706 9.521 6.734 1.00 54.30 H new ATOM 0 HD13 LEU A 15 1.026 7.771 6.712 1.00 54.30 H new ATOM 0 HD21 LEU A 15 -0.454 7.252 4.014 1.00 30.21 H new ATOM 0 HD22 LEU A 15 -0.698 6.214 5.439 1.00 30.21 H new ATOM 0 HD23 LEU A 15 -2.094 6.991 4.655 1.00 30.21 H new ATOM 238 N GLU A 16 -4.173 8.403 9.235 1.00 50.15 N ATOM 239 CA GLU A 16 -4.761 8.072 10.559 1.00 33.23 C ATOM 240 C GLU A 16 -6.234 7.618 10.429 1.00 21.44 C ATOM 241 O GLU A 16 -6.626 6.600 11.010 1.00 30.14 O ATOM 242 CB GLU A 16 -4.637 9.297 11.500 1.00 45.15 C ATOM 243 CG GLU A 16 -3.182 9.749 11.750 1.00 74.44 C ATOM 244 CD GLU A 16 -3.084 10.944 12.704 1.00 74.43 C ATOM 245 OE1 GLU A 16 -3.301 12.087 12.253 1.00 23.01 O ATOM 246 OE2 GLU A 16 -2.816 10.745 13.914 1.00 12.21 O ATOM 0 H GLU A 16 -4.005 9.401 9.105 1.00 50.15 H new ATOM 0 HA GLU A 16 -4.207 7.236 10.986 1.00 33.23 H new ATOM 0 HB2 GLU A 16 -5.197 10.129 11.073 1.00 45.15 H new ATOM 0 HB3 GLU A 16 -5.102 9.057 12.456 1.00 45.15 H new ATOM 0 HG2 GLU A 16 -2.613 8.915 12.161 1.00 74.44 H new ATOM 0 HG3 GLU A 16 -2.720 10.012 10.798 1.00 74.44 H new ATOM 253 N GLU A 17 -7.019 8.385 9.643 1.00 45.52 N ATOM 254 CA GLU A 17 -8.430 8.070 9.311 1.00 20.22 C ATOM 255 C GLU A 17 -8.531 6.669 8.675 1.00 43.15 C ATOM 256 O GLU A 17 -9.268 5.798 9.148 1.00 41.05 O ATOM 257 CB GLU A 17 -8.961 9.152 8.319 1.00 42.11 C ATOM 258 CG GLU A 17 -10.348 8.883 7.688 1.00 53.43 C ATOM 259 CD GLU A 17 -11.517 8.891 8.691 1.00 42.21 C ATOM 260 OE1 GLU A 17 -12.006 9.988 9.039 1.00 40.51 O ATOM 261 OE2 GLU A 17 -11.977 7.806 9.103 1.00 33.41 O ATOM 0 H GLU A 17 -6.690 9.250 9.215 1.00 45.52 H new ATOM 0 HA GLU A 17 -9.032 8.073 10.220 1.00 20.22 H new ATOM 0 HB2 GLU A 17 -9.004 10.106 8.844 1.00 42.11 H new ATOM 0 HB3 GLU A 17 -8.235 9.264 7.514 1.00 42.11 H new ATOM 0 HG2 GLU A 17 -10.537 9.636 6.922 1.00 53.43 H new ATOM 0 HG3 GLU A 17 -10.323 7.916 7.185 1.00 53.43 H new ATOM 268 N LEU A 18 -7.707 6.467 7.638 1.00 71.42 N ATOM 269 CA LEU A 18 -7.680 5.245 6.822 1.00 12.44 C ATOM 270 C LEU A 18 -7.185 4.044 7.643 1.00 74.43 C ATOM 271 O LEU A 18 -7.658 2.922 7.443 1.00 53.44 O ATOM 272 CB LEU A 18 -6.780 5.482 5.571 1.00 33.23 C ATOM 273 CG LEU A 18 -7.462 6.120 4.302 1.00 73.41 C ATOM 274 CD1 LEU A 18 -8.380 7.323 4.626 1.00 15.15 C ATOM 275 CD2 LEU A 18 -6.378 6.510 3.275 1.00 44.40 C ATOM 0 H LEU A 18 -7.026 7.164 7.336 1.00 71.42 H new ATOM 0 HA LEU A 18 -8.693 5.013 6.492 1.00 12.44 H new ATOM 0 HB2 LEU A 18 -5.952 6.125 5.868 1.00 33.23 H new ATOM 0 HB3 LEU A 18 -6.351 4.524 5.278 1.00 33.23 H new ATOM 0 HG LEU A 18 -8.120 5.361 3.878 1.00 73.41 H new ATOM 0 HD11 LEU A 18 -8.813 7.709 3.703 1.00 15.15 H new ATOM 0 HD12 LEU A 18 -9.178 7.002 5.295 1.00 15.15 H new ATOM 0 HD13 LEU A 18 -7.796 8.107 5.108 1.00 15.15 H new ATOM 0 HD21 LEU A 18 -6.850 6.951 2.397 1.00 44.40 H new ATOM 0 HD22 LEU A 18 -5.696 7.233 3.722 1.00 44.40 H new ATOM 0 HD23 LEU A 18 -5.821 5.621 2.979 1.00 44.40 H new ATOM 287 N LEU A 19 -6.255 4.309 8.591 1.00 21.32 N ATOM 288 CA LEU A 19 -5.669 3.272 9.465 1.00 0.00 C ATOM 289 C LEU A 19 -6.762 2.560 10.257 1.00 2.41 C ATOM 290 O LEU A 19 -6.898 1.339 10.198 1.00 61.25 O ATOM 291 CB LEU A 19 -4.645 3.895 10.452 1.00 54.01 C ATOM 292 CG LEU A 19 -3.928 2.894 11.417 1.00 40.42 C ATOM 293 CD1 LEU A 19 -2.891 2.022 10.679 1.00 34.32 C ATOM 294 CD2 LEU A 19 -3.302 3.626 12.613 1.00 63.42 C ATOM 0 H LEU A 19 -5.893 5.246 8.769 1.00 21.32 H new ATOM 0 HA LEU A 19 -5.156 2.552 8.828 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.884 4.419 9.873 1.00 54.01 H new ATOM 0 HB3 LEU A 19 -5.160 4.644 11.054 1.00 54.01 H new ATOM 0 HG LEU A 19 -4.690 2.218 11.805 1.00 40.42 H new ATOM 0 HD11 LEU A 19 -2.418 1.342 11.387 1.00 34.32 H new ATOM 0 HD12 LEU A 19 -3.389 1.445 9.900 1.00 34.32 H new ATOM 0 HD13 LEU A 19 -2.133 2.662 10.228 1.00 34.32 H new ATOM 0 HD21 LEU A 19 -2.811 2.904 13.265 1.00 63.42 H new ATOM 0 HD22 LEU A 19 -2.568 4.348 12.254 1.00 63.42 H new ATOM 0 HD23 LEU A 19 -4.081 4.147 13.169 1.00 63.42 H new ATOM 306 N GLU A 20 -7.569 3.374 10.938 1.00 2.53 N ATOM 307 CA GLU A 20 -8.618 2.899 11.842 1.00 23.43 C ATOM 308 C GLU A 20 -9.717 2.147 11.070 1.00 54.42 C ATOM 309 O GLU A 20 -10.316 1.229 11.611 1.00 40.04 O ATOM 310 CB GLU A 20 -9.195 4.097 12.620 1.00 3.33 C ATOM 311 CG GLU A 20 -8.133 4.919 13.378 1.00 2.14 C ATOM 312 CD GLU A 20 -8.733 6.154 14.063 1.00 22.14 C ATOM 313 OE1 GLU A 20 -8.944 7.178 13.380 1.00 61.42 O ATOM 314 OE2 GLU A 20 -9.028 6.096 15.278 1.00 34.14 O ATOM 0 H GLU A 20 -7.513 4.391 10.877 1.00 2.53 H new ATOM 0 HA GLU A 20 -8.189 2.191 12.551 1.00 23.43 H new ATOM 0 HB2 GLU A 20 -9.718 4.752 11.924 1.00 3.33 H new ATOM 0 HB3 GLU A 20 -9.935 3.733 13.332 1.00 3.33 H new ATOM 0 HG2 GLU A 20 -7.654 4.288 14.127 1.00 2.14 H new ATOM 0 HG3 GLU A 20 -7.355 5.234 12.682 1.00 2.14 H new ATOM 321 N VAL A 21 -9.945 2.544 9.798 1.00 43.53 N ATOM 322 CA VAL A 21 -10.890 1.858 8.888 1.00 35.13 C ATOM 323 C VAL A 21 -10.400 0.430 8.555 1.00 2.43 C ATOM 324 O VAL A 21 -11.206 -0.501 8.491 1.00 31.10 O ATOM 325 CB VAL A 21 -11.105 2.676 7.554 1.00 72.24 C ATOM 326 CG1 VAL A 21 -12.044 1.945 6.557 1.00 52.01 C ATOM 327 CG2 VAL A 21 -11.632 4.091 7.860 1.00 11.13 C ATOM 0 H VAL A 21 -9.480 3.347 9.374 1.00 43.53 H new ATOM 0 HA VAL A 21 -11.846 1.791 9.408 1.00 35.13 H new ATOM 0 HB VAL A 21 -10.131 2.760 7.072 1.00 72.24 H new ATOM 0 HG11 VAL A 21 -12.159 2.548 5.657 1.00 52.01 H new ATOM 0 HG12 VAL A 21 -11.614 0.979 6.294 1.00 52.01 H new ATOM 0 HG13 VAL A 21 -13.019 1.794 7.020 1.00 52.01 H new ATOM 0 HG21 VAL A 21 -11.773 4.637 6.927 1.00 11.13 H new ATOM 0 HG22 VAL A 21 -12.584 4.019 8.385 1.00 11.13 H new ATOM 0 HG23 VAL A 21 -10.912 4.620 8.485 1.00 11.13 H new ATOM 337 N VAL A 22 -9.073 0.269 8.366 1.00 50.33 N ATOM 338 CA VAL A 22 -8.457 -1.045 8.072 1.00 72.55 C ATOM 339 C VAL A 22 -8.549 -1.957 9.314 1.00 44.41 C ATOM 340 O VAL A 22 -8.973 -3.114 9.218 1.00 71.31 O ATOM 341 CB VAL A 22 -6.952 -0.912 7.616 1.00 62.33 C ATOM 342 CG1 VAL A 22 -6.337 -2.287 7.288 1.00 44.32 C ATOM 343 CG2 VAL A 22 -6.814 0.035 6.410 1.00 73.21 C ATOM 0 H VAL A 22 -8.403 1.037 8.412 1.00 50.33 H new ATOM 0 HA VAL A 22 -9.011 -1.487 7.244 1.00 72.55 H new ATOM 0 HB VAL A 22 -6.401 -0.484 8.454 1.00 62.33 H new ATOM 0 HG11 VAL A 22 -5.300 -2.157 6.978 1.00 44.32 H new ATOM 0 HG12 VAL A 22 -6.374 -2.923 8.173 1.00 44.32 H new ATOM 0 HG13 VAL A 22 -6.901 -2.755 6.481 1.00 44.32 H new ATOM 0 HG21 VAL A 22 -5.765 0.105 6.121 1.00 73.21 H new ATOM 0 HG22 VAL A 22 -7.396 -0.353 5.574 1.00 73.21 H new ATOM 0 HG23 VAL A 22 -7.183 1.025 6.680 1.00 73.21 H new ATOM 353 N LEU A 23 -8.166 -1.398 10.483 1.00 2.33 N ATOM 354 CA LEU A 23 -8.266 -2.091 11.789 1.00 1.35 C ATOM 355 C LEU A 23 -9.733 -2.462 12.124 1.00 43.33 C ATOM 356 O LEU A 23 -9.993 -3.492 12.755 1.00 3.13 O ATOM 357 CB LEU A 23 -7.647 -1.211 12.916 1.00 53.13 C ATOM 358 CG LEU A 23 -6.090 -1.270 13.094 1.00 25.23 C ATOM 359 CD1 LEU A 23 -5.334 -0.839 11.830 1.00 65.23 C ATOM 360 CD2 LEU A 23 -5.650 -0.430 14.312 1.00 30.31 C ATOM 0 H LEU A 23 -7.780 -0.456 10.549 1.00 2.33 H new ATOM 0 HA LEU A 23 -7.701 -3.021 11.721 1.00 1.35 H new ATOM 0 HB2 LEU A 23 -7.927 -0.174 12.728 1.00 53.13 H new ATOM 0 HB3 LEU A 23 -8.107 -1.499 13.861 1.00 53.13 H new ATOM 0 HG LEU A 23 -5.830 -2.313 13.273 1.00 25.23 H new ATOM 0 HD11 LEU A 23 -4.261 -0.899 12.010 1.00 65.23 H new ATOM 0 HD12 LEU A 23 -5.601 -1.498 11.004 1.00 65.23 H new ATOM 0 HD13 LEU A 23 -5.603 0.187 11.577 1.00 65.23 H new ATOM 0 HD21 LEU A 23 -4.567 -0.484 14.419 1.00 30.31 H new ATOM 0 HD22 LEU A 23 -5.949 0.608 14.165 1.00 30.31 H new ATOM 0 HD23 LEU A 23 -6.123 -0.820 15.213 1.00 30.31 H new ATOM 372 N LYS A 24 -10.672 -1.609 11.683 1.00 65.31 N ATOM 373 CA LYS A 24 -12.122 -1.801 11.892 1.00 74.24 C ATOM 374 C LYS A 24 -12.670 -2.922 10.986 1.00 43.52 C ATOM 375 O LYS A 24 -13.443 -3.777 11.432 1.00 43.10 O ATOM 376 CB LYS A 24 -12.875 -0.475 11.604 1.00 24.11 C ATOM 377 CG LYS A 24 -14.408 -0.552 11.740 1.00 13.14 C ATOM 378 CD LYS A 24 -15.092 0.810 11.482 1.00 41.43 C ATOM 379 CE LYS A 24 -16.615 0.758 11.675 1.00 65.31 C ATOM 380 NZ LYS A 24 -16.993 0.366 13.068 1.00 53.14 N ATOM 0 H LYS A 24 -10.447 -0.759 11.167 1.00 65.31 H new ATOM 0 HA LYS A 24 -12.282 -2.093 12.930 1.00 74.24 H new ATOM 0 HB2 LYS A 24 -12.503 0.291 12.284 1.00 24.11 H new ATOM 0 HB3 LYS A 24 -12.631 -0.149 10.593 1.00 24.11 H new ATOM 0 HG2 LYS A 24 -14.796 -1.289 11.037 1.00 13.14 H new ATOM 0 HG3 LYS A 24 -14.664 -0.900 12.741 1.00 13.14 H new ATOM 0 HD2 LYS A 24 -14.670 1.556 12.155 1.00 41.43 H new ATOM 0 HD3 LYS A 24 -14.870 1.136 10.466 1.00 41.43 H new ATOM 0 HE2 LYS A 24 -17.043 1.734 11.445 1.00 65.31 H new ATOM 0 HE3 LYS A 24 -17.045 0.047 10.970 1.00 65.31 H new ATOM 0 HZ1 LYS A 24 -18.015 0.506 13.203 1.00 53.14 H new ATOM 0 HZ2 LYS A 24 -16.758 -0.635 13.223 1.00 53.14 H new ATOM 0 HZ3 LYS A 24 -16.470 0.954 13.748 1.00 53.14 H new ATOM 394 N SER A 25 -12.246 -2.897 9.716 1.00 75.33 N ATOM 395 CA SER A 25 -12.692 -3.855 8.690 1.00 74.52 C ATOM 396 C SER A 25 -12.167 -5.268 8.987 1.00 22.32 C ATOM 397 O SER A 25 -12.840 -6.262 8.686 1.00 30.34 O ATOM 398 CB SER A 25 -12.225 -3.379 7.298 1.00 74.31 C ATOM 399 OG SER A 25 -12.607 -4.279 6.265 1.00 33.03 O ATOM 0 H SER A 25 -11.580 -2.208 9.367 1.00 75.33 H new ATOM 0 HA SER A 25 -13.781 -3.900 8.704 1.00 74.52 H new ATOM 0 HB2 SER A 25 -12.645 -2.394 7.093 1.00 74.31 H new ATOM 0 HB3 SER A 25 -11.141 -3.269 7.299 1.00 74.31 H new ATOM 0 HG SER A 25 -13.466 -4.692 6.492 1.00 33.03 H new ATOM 405 N ASP A 26 -10.984 -5.344 9.613 1.00 25.42 N ATOM 406 CA ASP A 26 -10.317 -6.629 9.896 1.00 32.42 C ATOM 407 C ASP A 26 -9.220 -6.421 10.972 1.00 4.21 C ATOM 408 O ASP A 26 -8.334 -5.582 10.784 1.00 64.34 O ATOM 409 CB ASP A 26 -9.715 -7.214 8.587 1.00 53.11 C ATOM 410 CG ASP A 26 -9.316 -8.697 8.686 1.00 14.04 C ATOM 411 OD1 ASP A 26 -8.326 -9.012 9.367 1.00 33.53 O ATOM 412 OD2 ASP A 26 -9.986 -9.554 8.065 1.00 20.11 O ATOM 0 H ASP A 26 -10.465 -4.528 9.936 1.00 25.42 H new ATOM 0 HA ASP A 26 -11.046 -7.342 10.281 1.00 32.42 H new ATOM 0 HB2 ASP A 26 -10.441 -7.097 7.782 1.00 53.11 H new ATOM 0 HB3 ASP A 26 -8.837 -6.630 8.311 1.00 53.11 H new ATOM 417 N PRO A 27 -9.259 -7.197 12.107 1.00 61.52 N ATOM 418 CA PRO A 27 -8.333 -6.996 13.253 1.00 23.51 C ATOM 419 C PRO A 27 -6.924 -7.593 13.043 1.00 34.12 C ATOM 420 O PRO A 27 -5.978 -7.208 13.748 1.00 71.42 O ATOM 421 CB PRO A 27 -9.070 -7.714 14.405 1.00 61.04 C ATOM 422 CG PRO A 27 -9.806 -8.837 13.742 1.00 62.00 C ATOM 423 CD PRO A 27 -10.214 -8.317 12.377 1.00 1.42 C ATOM 0 HA PRO A 27 -8.132 -5.939 13.425 1.00 23.51 H new ATOM 0 HB2 PRO A 27 -8.369 -8.086 15.153 1.00 61.04 H new ATOM 0 HB3 PRO A 27 -9.755 -7.039 14.918 1.00 61.04 H new ATOM 0 HG2 PRO A 27 -9.172 -9.719 13.651 1.00 62.00 H new ATOM 0 HG3 PRO A 27 -10.679 -9.130 14.325 1.00 62.00 H new ATOM 0 HD2 PRO A 27 -10.140 -9.095 11.617 1.00 1.42 H new ATOM 0 HD3 PRO A 27 -11.247 -7.968 12.377 1.00 1.42 H new ATOM 431 N ASN A 28 -6.784 -8.535 12.090 1.00 15.24 N ATOM 432 CA ASN A 28 -5.526 -9.295 11.894 1.00 75.54 C ATOM 433 C ASN A 28 -4.797 -8.899 10.599 1.00 21.43 C ATOM 434 O ASN A 28 -3.717 -9.425 10.335 1.00 20.12 O ATOM 435 CB ASN A 28 -5.791 -10.830 11.943 1.00 24.21 C ATOM 436 CG ASN A 28 -6.796 -11.309 10.901 1.00 53.22 C ATOM 437 OD1 ASN A 28 -7.998 -11.378 11.169 1.00 44.22 O ATOM 438 ND2 ASN A 28 -6.325 -11.618 9.704 1.00 23.44 N ATOM 0 H ASN A 28 -7.527 -8.791 11.440 1.00 15.24 H new ATOM 0 HA ASN A 28 -4.864 -9.034 12.719 1.00 75.54 H new ATOM 0 HB2 ASN A 28 -4.849 -11.358 11.796 1.00 24.21 H new ATOM 0 HB3 ASN A 28 -6.154 -11.096 12.936 1.00 24.21 H new ATOM 0 HD21 ASN A 28 -6.962 -11.925 8.969 1.00 23.44 H new ATOM 0 HD22 ASN A 28 -5.325 -11.550 9.516 1.00 23.44 H new ATOM 445 N VAL A 29 -5.374 -7.994 9.782 1.00 40.41 N ATOM 446 CA VAL A 29 -4.633 -7.401 8.649 1.00 61.24 C ATOM 447 C VAL A 29 -3.514 -6.499 9.207 1.00 12.44 C ATOM 448 O VAL A 29 -3.795 -5.498 9.876 1.00 62.05 O ATOM 449 CB VAL A 29 -5.563 -6.602 7.661 1.00 53.51 C ATOM 450 CG1 VAL A 29 -4.741 -5.832 6.612 1.00 54.43 C ATOM 451 CG2 VAL A 29 -6.543 -7.544 6.947 1.00 13.01 C ATOM 0 H VAL A 29 -6.333 -7.662 9.882 1.00 40.41 H new ATOM 0 HA VAL A 29 -4.203 -8.212 8.061 1.00 61.24 H new ATOM 0 HB VAL A 29 -6.125 -5.885 8.260 1.00 53.51 H new ATOM 0 HG11 VAL A 29 -5.415 -5.292 5.947 1.00 54.43 H new ATOM 0 HG12 VAL A 29 -4.082 -5.124 7.114 1.00 54.43 H new ATOM 0 HG13 VAL A 29 -4.143 -6.534 6.031 1.00 54.43 H new ATOM 0 HG21 VAL A 29 -7.174 -6.968 6.270 1.00 13.01 H new ATOM 0 HG22 VAL A 29 -5.984 -8.287 6.378 1.00 13.01 H new ATOM 0 HG23 VAL A 29 -7.167 -8.047 7.685 1.00 13.01 H new ATOM 461 N LYS A 30 -2.256 -6.886 8.942 1.00 22.43 N ATOM 462 CA LYS A 30 -1.073 -6.261 9.550 1.00 45.25 C ATOM 463 C LYS A 30 -0.797 -4.879 8.926 1.00 11.41 C ATOM 464 O LYS A 30 -0.409 -4.789 7.767 1.00 14.31 O ATOM 465 CB LYS A 30 0.151 -7.198 9.382 1.00 30.04 C ATOM 466 CG LYS A 30 1.440 -6.697 10.065 1.00 0.20 C ATOM 467 CD LYS A 30 1.279 -6.535 11.591 1.00 40.12 C ATOM 468 CE LYS A 30 2.549 -6.010 12.273 1.00 64.33 C ATOM 469 NZ LYS A 30 2.416 -5.969 13.755 1.00 43.30 N ATOM 0 H LYS A 30 -2.031 -7.644 8.298 1.00 22.43 H new ATOM 0 HA LYS A 30 -1.260 -6.109 10.613 1.00 45.25 H new ATOM 0 HB2 LYS A 30 -0.101 -8.179 9.785 1.00 30.04 H new ATOM 0 HB3 LYS A 30 0.347 -7.331 8.318 1.00 30.04 H new ATOM 0 HG2 LYS A 30 2.250 -7.397 9.861 1.00 0.20 H new ATOM 0 HG3 LYS A 30 1.729 -5.740 9.630 1.00 0.20 H new ATOM 0 HD2 LYS A 30 0.455 -5.851 11.794 1.00 40.12 H new ATOM 0 HD3 LYS A 30 1.010 -7.497 12.027 1.00 40.12 H new ATOM 0 HE2 LYS A 30 3.393 -6.645 12.003 1.00 64.33 H new ATOM 0 HE3 LYS A 30 2.771 -5.009 11.902 1.00 64.33 H new ATOM 0 HZ1 LYS A 30 3.297 -5.608 14.173 1.00 43.30 H new ATOM 0 HZ2 LYS A 30 1.628 -5.343 14.016 1.00 43.30 H new ATOM 0 HZ3 LYS A 30 2.230 -6.927 14.114 1.00 43.30 H new ATOM 483 N THR A 31 -1.021 -3.814 9.702 1.00 72.42 N ATOM 484 CA THR A 31 -0.827 -2.427 9.253 1.00 31.13 C ATOM 485 C THR A 31 0.456 -1.834 9.846 1.00 2.33 C ATOM 486 O THR A 31 0.536 -1.579 11.058 1.00 2.01 O ATOM 487 CB THR A 31 -2.054 -1.553 9.642 1.00 30.45 C ATOM 488 OG1 THR A 31 -2.257 -1.592 11.062 1.00 33.23 O ATOM 489 CG2 THR A 31 -3.324 -2.028 8.941 1.00 25.14 C ATOM 0 H THR A 31 -1.344 -3.888 10.667 1.00 72.42 H new ATOM 0 HA THR A 31 -0.731 -2.433 8.167 1.00 31.13 H new ATOM 0 HB THR A 31 -1.844 -0.532 9.324 1.00 30.45 H new ATOM 0 HG1 THR A 31 -1.389 -1.586 11.517 1.00 33.23 H new ATOM 0 HG21 THR A 31 -4.161 -1.395 9.236 1.00 25.14 H new ATOM 0 HG22 THR A 31 -3.187 -1.969 7.861 1.00 25.14 H new ATOM 0 HG23 THR A 31 -3.532 -3.060 9.225 1.00 25.14 H new ATOM 497 N VAL A 32 1.460 -1.626 8.986 1.00 51.43 N ATOM 498 CA VAL A 32 2.770 -1.078 9.372 1.00 31.55 C ATOM 499 C VAL A 32 3.034 0.223 8.604 1.00 50.21 C ATOM 500 O VAL A 32 2.933 0.243 7.378 1.00 32.53 O ATOM 501 CB VAL A 32 3.933 -2.099 9.072 1.00 64.22 C ATOM 502 CG1 VAL A 32 5.286 -1.568 9.598 1.00 4.12 C ATOM 503 CG2 VAL A 32 3.611 -3.493 9.652 1.00 34.31 C ATOM 0 H VAL A 32 1.387 -1.835 7.990 1.00 51.43 H new ATOM 0 HA VAL A 32 2.748 -0.885 10.445 1.00 31.55 H new ATOM 0 HB VAL A 32 4.018 -2.204 7.990 1.00 64.22 H new ATOM 0 HG11 VAL A 32 6.071 -2.291 9.378 1.00 4.12 H new ATOM 0 HG12 VAL A 32 5.519 -0.621 9.112 1.00 4.12 H new ATOM 0 HG13 VAL A 32 5.223 -1.417 10.676 1.00 4.12 H new ATOM 0 HG21 VAL A 32 4.430 -4.177 9.430 1.00 34.31 H new ATOM 0 HG22 VAL A 32 3.484 -3.417 10.732 1.00 34.31 H new ATOM 0 HG23 VAL A 32 2.692 -3.870 9.204 1.00 34.31 H new ATOM 513 N ARG A 33 3.362 1.313 9.321 1.00 44.21 N ATOM 514 CA ARG A 33 3.786 2.576 8.689 1.00 11.35 C ATOM 515 C ARG A 33 5.318 2.680 8.739 1.00 33.42 C ATOM 516 O ARG A 33 5.898 3.032 9.769 1.00 73.22 O ATOM 517 CB ARG A 33 3.083 3.843 9.293 1.00 14.31 C ATOM 518 CG ARG A 33 2.955 3.921 10.833 1.00 25.41 C ATOM 519 CD ARG A 33 1.797 3.067 11.395 1.00 10.35 C ATOM 520 NE ARG A 33 1.502 3.394 12.795 1.00 61.04 N ATOM 521 CZ ARG A 33 0.617 2.747 13.568 1.00 64.02 C ATOM 522 NH1 ARG A 33 -0.073 1.708 13.098 1.00 23.23 N ATOM 523 NH2 ARG A 33 0.398 3.168 14.800 1.00 72.13 N ATOM 0 H ARG A 33 3.342 1.345 10.340 1.00 44.21 H new ATOM 0 HA ARG A 33 3.464 2.554 7.648 1.00 11.35 H new ATOM 0 HB2 ARG A 33 3.629 4.724 8.956 1.00 14.31 H new ATOM 0 HB3 ARG A 33 2.081 3.907 8.868 1.00 14.31 H new ATOM 0 HG2 ARG A 33 3.891 3.594 11.285 1.00 25.41 H new ATOM 0 HG3 ARG A 33 2.806 4.960 11.126 1.00 25.41 H new ATOM 0 HD2 ARG A 33 0.904 3.224 10.790 1.00 10.35 H new ATOM 0 HD3 ARG A 33 2.054 2.011 11.316 1.00 10.35 H new ATOM 0 HE ARG A 33 2.009 4.174 13.213 1.00 61.04 H new ATOM 0 HH11 ARG A 33 0.068 1.394 12.138 1.00 23.23 H new ATOM 0 HH12 ARG A 33 -0.742 1.227 13.699 1.00 23.23 H new ATOM 0 HH21 ARG A 33 0.900 3.980 15.158 1.00 72.13 H new ATOM 0 HH22 ARG A 33 -0.274 2.681 15.394 1.00 72.13 H new ATOM 537 N THR A 34 5.965 2.315 7.621 1.00 62.51 N ATOM 538 CA THR A 34 7.426 2.281 7.501 1.00 53.51 C ATOM 539 C THR A 34 7.852 2.675 6.077 1.00 64.42 C ATOM 540 O THR A 34 7.291 2.173 5.099 1.00 64.22 O ATOM 541 CB THR A 34 7.986 0.859 7.840 1.00 31.10 C ATOM 542 OG1 THR A 34 7.636 0.500 9.188 1.00 5.13 O ATOM 543 CG2 THR A 34 9.509 0.792 7.686 1.00 32.30 C ATOM 0 H THR A 34 5.481 2.033 6.768 1.00 62.51 H new ATOM 0 HA THR A 34 7.837 2.996 8.214 1.00 53.51 H new ATOM 0 HB THR A 34 7.539 0.159 7.134 1.00 31.10 H new ATOM 0 HG1 THR A 34 8.146 1.052 9.817 1.00 5.13 H new ATOM 0 HG21 THR A 34 9.856 -0.212 7.931 1.00 32.30 H new ATOM 0 HG22 THR A 34 9.781 1.029 6.658 1.00 32.30 H new ATOM 0 HG23 THR A 34 9.975 1.511 8.360 1.00 32.30 H new ATOM 551 N ASP A 35 8.842 3.574 5.990 1.00 21.14 N ATOM 552 CA ASP A 35 9.454 4.009 4.714 1.00 34.41 C ATOM 553 C ASP A 35 10.843 3.374 4.531 1.00 43.31 C ATOM 554 O ASP A 35 11.361 3.333 3.406 1.00 3.13 O ATOM 555 CB ASP A 35 9.546 5.550 4.680 1.00 45.40 C ATOM 556 CG ASP A 35 10.474 6.141 5.760 1.00 1.01 C ATOM 557 OD1 ASP A 35 10.068 6.188 6.940 1.00 71.31 O ATOM 558 OD2 ASP A 35 11.606 6.562 5.435 1.00 62.15 O ATOM 0 H ASP A 35 9.249 4.028 6.808 1.00 21.14 H new ATOM 0 HA ASP A 35 8.825 3.675 3.889 1.00 34.41 H new ATOM 0 HB2 ASP A 35 9.902 5.862 3.698 1.00 45.40 H new ATOM 0 HB3 ASP A 35 8.547 5.967 4.805 1.00 45.40 H new ATOM 563 N ASP A 36 11.447 2.922 5.656 1.00 31.23 N ATOM 564 CA ASP A 36 12.722 2.170 5.674 1.00 1.22 C ATOM 565 C ASP A 36 12.627 0.954 4.740 1.00 3.11 C ATOM 566 O ASP A 36 11.941 -0.019 5.065 1.00 14.21 O ATOM 567 CB ASP A 36 13.068 1.680 7.108 1.00 32.13 C ATOM 568 CG ASP A 36 13.225 2.819 8.122 1.00 52.23 C ATOM 569 OD1 ASP A 36 12.193 3.392 8.544 1.00 32.14 O ATOM 570 OD2 ASP A 36 14.367 3.131 8.516 1.00 73.23 O ATOM 0 H ASP A 36 11.057 3.072 6.587 1.00 31.23 H new ATOM 0 HA ASP A 36 13.509 2.843 5.334 1.00 1.22 H new ATOM 0 HB2 ASP A 36 12.285 1.004 7.451 1.00 32.13 H new ATOM 0 HB3 ASP A 36 13.993 1.105 7.074 1.00 32.13 H new ATOM 575 N LYS A 37 13.332 1.027 3.604 1.00 43.24 N ATOM 576 CA LYS A 37 13.214 0.052 2.498 1.00 20.55 C ATOM 577 C LYS A 37 13.675 -1.353 2.914 1.00 41.02 C ATOM 578 O LYS A 37 13.174 -2.358 2.398 1.00 63.31 O ATOM 579 CB LYS A 37 13.995 0.575 1.264 1.00 71.34 C ATOM 580 CG LYS A 37 15.510 0.804 1.472 1.00 55.44 C ATOM 581 CD LYS A 37 16.143 1.698 0.370 1.00 1.33 C ATOM 582 CE LYS A 37 15.762 1.258 -1.053 1.00 54.22 C ATOM 583 NZ LYS A 37 16.457 2.043 -2.108 1.00 32.32 N ATOM 0 H LYS A 37 14.008 1.768 3.419 1.00 43.24 H new ATOM 0 HA LYS A 37 12.161 -0.045 2.232 1.00 20.55 H new ATOM 0 HB2 LYS A 37 13.863 -0.135 0.447 1.00 71.34 H new ATOM 0 HB3 LYS A 37 13.545 1.515 0.945 1.00 71.34 H new ATOM 0 HG2 LYS A 37 15.672 1.266 2.446 1.00 55.44 H new ATOM 0 HG3 LYS A 37 16.019 -0.160 1.488 1.00 55.44 H new ATOM 0 HD2 LYS A 37 15.828 2.730 0.522 1.00 1.33 H new ATOM 0 HD3 LYS A 37 17.228 1.678 0.472 1.00 1.33 H new ATOM 0 HE2 LYS A 37 16.000 0.202 -1.177 1.00 54.22 H new ATOM 0 HE3 LYS A 37 14.684 1.359 -1.183 1.00 54.22 H new ATOM 0 HZ1 LYS A 37 16.162 1.703 -3.045 1.00 32.32 H new ATOM 0 HZ2 LYS A 37 16.211 3.049 -2.011 1.00 32.32 H new ATOM 0 HZ3 LYS A 37 17.485 1.927 -2.006 1.00 32.32 H new ATOM 597 N GLU A 38 14.613 -1.399 3.873 1.00 63.05 N ATOM 598 CA GLU A 38 15.062 -2.647 4.510 1.00 64.01 C ATOM 599 C GLU A 38 13.907 -3.285 5.311 1.00 53.31 C ATOM 600 O GLU A 38 13.634 -4.479 5.179 1.00 12.44 O ATOM 601 CB GLU A 38 16.289 -2.373 5.438 1.00 30.53 C ATOM 602 CG GLU A 38 16.017 -1.388 6.593 1.00 4.43 C ATOM 603 CD GLU A 38 17.256 -1.062 7.432 1.00 32.14 C ATOM 604 OE1 GLU A 38 17.563 -1.819 8.378 1.00 41.30 O ATOM 605 OE2 GLU A 38 17.921 -0.041 7.156 1.00 73.20 O ATOM 0 H GLU A 38 15.084 -0.567 4.230 1.00 63.05 H new ATOM 0 HA GLU A 38 15.369 -3.346 3.732 1.00 64.01 H new ATOM 0 HB2 GLU A 38 16.628 -3.320 5.858 1.00 30.53 H new ATOM 0 HB3 GLU A 38 17.106 -1.983 4.831 1.00 30.53 H new ATOM 0 HG2 GLU A 38 15.614 -0.462 6.182 1.00 4.43 H new ATOM 0 HG3 GLU A 38 15.250 -1.808 7.243 1.00 4.43 H new ATOM 612 N LYS A 39 13.197 -2.453 6.091 1.00 33.33 N ATOM 613 CA LYS A 39 12.205 -2.913 7.062 1.00 74.33 C ATOM 614 C LYS A 39 10.862 -3.252 6.395 1.00 43.12 C ATOM 615 O LYS A 39 10.174 -4.154 6.856 1.00 1.25 O ATOM 616 CB LYS A 39 12.049 -1.868 8.190 1.00 71.23 C ATOM 617 CG LYS A 39 11.069 -2.275 9.310 1.00 63.20 C ATOM 618 CD LYS A 39 11.004 -1.244 10.461 1.00 43.54 C ATOM 619 CE LYS A 39 9.940 -1.613 11.503 1.00 33.01 C ATOM 620 NZ LYS A 39 8.578 -1.684 10.906 1.00 13.24 N ATOM 0 H LYS A 39 13.300 -1.439 6.061 1.00 33.33 H new ATOM 0 HA LYS A 39 12.562 -3.842 7.506 1.00 74.33 H new ATOM 0 HB2 LYS A 39 13.028 -1.680 8.632 1.00 71.23 H new ATOM 0 HB3 LYS A 39 11.711 -0.928 7.753 1.00 71.23 H new ATOM 0 HG2 LYS A 39 10.073 -2.401 8.886 1.00 63.20 H new ATOM 0 HG3 LYS A 39 11.368 -3.243 9.713 1.00 63.20 H new ATOM 0 HD2 LYS A 39 11.978 -1.179 10.945 1.00 43.54 H new ATOM 0 HD3 LYS A 39 10.785 -0.258 10.052 1.00 43.54 H new ATOM 0 HE2 LYS A 39 10.190 -2.574 11.952 1.00 33.01 H new ATOM 0 HE3 LYS A 39 9.947 -0.875 12.305 1.00 33.01 H new ATOM 0 HZ1 LYS A 39 7.865 -1.648 11.662 1.00 13.24 H new ATOM 0 HZ2 LYS A 39 8.439 -0.880 10.261 1.00 13.24 H new ATOM 0 HZ3 LYS A 39 8.477 -2.574 10.377 1.00 13.24 H new ATOM 634 N VAL A 40 10.511 -2.556 5.291 1.00 32.45 N ATOM 635 CA VAL A 40 9.281 -2.858 4.517 1.00 42.31 C ATOM 636 C VAL A 40 9.369 -4.292 3.953 1.00 4.01 C ATOM 637 O VAL A 40 8.384 -5.030 3.949 1.00 23.54 O ATOM 638 CB VAL A 40 9.030 -1.824 3.347 1.00 61.03 C ATOM 639 CG1 VAL A 40 7.741 -2.154 2.547 1.00 14.44 C ATOM 640 CG2 VAL A 40 8.975 -0.379 3.887 1.00 1.25 C ATOM 0 H VAL A 40 11.059 -1.783 4.915 1.00 32.45 H new ATOM 0 HA VAL A 40 8.434 -2.774 5.197 1.00 42.31 H new ATOM 0 HB VAL A 40 9.874 -1.907 2.662 1.00 61.03 H new ATOM 0 HG11 VAL A 40 7.607 -1.419 1.753 1.00 14.44 H new ATOM 0 HG12 VAL A 40 7.829 -3.148 2.109 1.00 14.44 H new ATOM 0 HG13 VAL A 40 6.881 -2.127 3.216 1.00 14.44 H new ATOM 0 HG21 VAL A 40 8.801 0.311 3.062 1.00 1.25 H new ATOM 0 HG22 VAL A 40 8.164 -0.291 4.610 1.00 1.25 H new ATOM 0 HG23 VAL A 40 9.921 -0.135 4.371 1.00 1.25 H new ATOM 650 N LYS A 41 10.588 -4.678 3.529 1.00 35.54 N ATOM 651 CA LYS A 41 10.902 -6.052 3.088 1.00 10.42 C ATOM 652 C LYS A 41 10.772 -7.061 4.244 1.00 25.33 C ATOM 653 O LYS A 41 10.322 -8.185 4.031 1.00 41.21 O ATOM 654 CB LYS A 41 12.334 -6.121 2.516 1.00 31.01 C ATOM 655 CG LYS A 41 12.549 -5.293 1.242 1.00 54.13 C ATOM 656 CD LYS A 41 14.018 -5.322 0.787 1.00 72.41 C ATOM 657 CE LYS A 41 14.267 -4.579 -0.528 1.00 51.34 C ATOM 658 NZ LYS A 41 15.704 -4.645 -0.921 1.00 41.23 N ATOM 0 H LYS A 41 11.386 -4.044 3.482 1.00 35.54 H new ATOM 0 HA LYS A 41 10.182 -6.315 2.313 1.00 10.42 H new ATOM 0 HB2 LYS A 41 13.034 -5.779 3.279 1.00 31.01 H new ATOM 0 HB3 LYS A 41 12.577 -7.162 2.303 1.00 31.01 H new ATOM 0 HG2 LYS A 41 11.913 -5.679 0.445 1.00 54.13 H new ATOM 0 HG3 LYS A 41 12.244 -4.262 1.422 1.00 54.13 H new ATOM 0 HD2 LYS A 41 14.640 -4.882 1.567 1.00 72.41 H new ATOM 0 HD3 LYS A 41 14.334 -6.359 0.674 1.00 72.41 H new ATOM 0 HE2 LYS A 41 13.651 -5.013 -1.316 1.00 51.34 H new ATOM 0 HE3 LYS A 41 13.963 -3.537 -0.423 1.00 51.34 H new ATOM 0 HZ1 LYS A 41 15.843 -4.133 -1.816 1.00 41.23 H new ATOM 0 HZ2 LYS A 41 16.287 -4.209 -0.178 1.00 41.23 H new ATOM 0 HZ3 LYS A 41 15.985 -5.639 -1.043 1.00 41.23 H new ATOM 672 N GLU A 42 11.198 -6.639 5.453 1.00 13.13 N ATOM 673 CA GLU A 42 11.078 -7.442 6.688 1.00 54.25 C ATOM 674 C GLU A 42 9.601 -7.662 7.043 1.00 32.05 C ATOM 675 O GLU A 42 9.226 -8.739 7.506 1.00 30.23 O ATOM 676 CB GLU A 42 11.830 -6.767 7.872 1.00 61.44 C ATOM 677 CG GLU A 42 13.346 -6.619 7.656 1.00 31.41 C ATOM 678 CD GLU A 42 14.076 -6.018 8.862 1.00 34.21 C ATOM 679 OE1 GLU A 42 14.381 -6.771 9.813 1.00 1.23 O ATOM 680 OE2 GLU A 42 14.334 -4.795 8.878 1.00 73.32 O ATOM 0 H GLU A 42 11.636 -5.730 5.600 1.00 13.13 H new ATOM 0 HA GLU A 42 11.541 -8.412 6.506 1.00 54.25 H new ATOM 0 HB2 GLU A 42 11.401 -5.780 8.044 1.00 61.44 H new ATOM 0 HB3 GLU A 42 11.659 -7.351 8.776 1.00 61.44 H new ATOM 0 HG2 GLU A 42 13.771 -7.598 7.434 1.00 31.41 H new ATOM 0 HG3 GLU A 42 13.522 -5.990 6.784 1.00 31.41 H new ATOM 687 N GLU A 43 8.766 -6.641 6.779 1.00 23.15 N ATOM 688 CA GLU A 43 7.320 -6.704 7.042 1.00 45.24 C ATOM 689 C GLU A 43 6.628 -7.654 6.047 1.00 33.31 C ATOM 690 O GLU A 43 5.745 -8.438 6.428 1.00 42.13 O ATOM 691 CB GLU A 43 6.677 -5.294 6.972 1.00 43.14 C ATOM 692 CG GLU A 43 7.267 -4.251 7.939 1.00 12.30 C ATOM 693 CD GLU A 43 7.401 -4.722 9.404 1.00 14.52 C ATOM 694 OE1 GLU A 43 6.437 -5.294 9.954 1.00 3.30 O ATOM 695 OE2 GLU A 43 8.468 -4.504 10.018 1.00 54.23 O ATOM 0 H GLU A 43 9.074 -5.754 6.380 1.00 23.15 H new ATOM 0 HA GLU A 43 7.182 -7.092 8.051 1.00 45.24 H new ATOM 0 HB2 GLU A 43 6.777 -4.918 5.954 1.00 43.14 H new ATOM 0 HB3 GLU A 43 5.610 -5.389 7.174 1.00 43.14 H new ATOM 0 HG2 GLU A 43 8.252 -3.957 7.576 1.00 12.30 H new ATOM 0 HG3 GLU A 43 6.640 -3.360 7.915 1.00 12.30 H new ATOM 702 N ILE A 44 7.042 -7.558 4.769 1.00 52.43 N ATOM 703 CA ILE A 44 6.631 -8.489 3.703 1.00 14.14 C ATOM 704 C ILE A 44 7.079 -9.929 4.067 1.00 74.44 C ATOM 705 O ILE A 44 6.346 -10.897 3.840 1.00 2.23 O ATOM 706 CB ILE A 44 7.249 -8.052 2.310 1.00 21.42 C ATOM 707 CG1 ILE A 44 6.667 -6.681 1.821 1.00 25.21 C ATOM 708 CG2 ILE A 44 7.055 -9.138 1.229 1.00 20.31 C ATOM 709 CD1 ILE A 44 7.281 -6.170 0.522 1.00 31.35 C ATOM 0 H ILE A 44 7.676 -6.827 4.446 1.00 52.43 H new ATOM 0 HA ILE A 44 5.545 -8.465 3.613 1.00 14.14 H new ATOM 0 HB ILE A 44 8.320 -7.926 2.471 1.00 21.42 H new ATOM 0 HG12 ILE A 44 5.590 -6.784 1.685 1.00 25.21 H new ATOM 0 HG13 ILE A 44 6.820 -5.935 2.601 1.00 25.21 H new ATOM 0 HG21 ILE A 44 7.493 -8.799 0.290 1.00 20.31 H new ATOM 0 HG22 ILE A 44 7.545 -10.059 1.546 1.00 20.31 H new ATOM 0 HG23 ILE A 44 5.990 -9.324 1.087 1.00 20.31 H new ATOM 0 HD11 ILE A 44 6.824 -5.218 0.253 1.00 31.35 H new ATOM 0 HD12 ILE A 44 8.354 -6.032 0.656 1.00 31.35 H new ATOM 0 HD13 ILE A 44 7.105 -6.894 -0.273 1.00 31.35 H new ATOM 721 N GLU A 45 8.268 -10.025 4.698 1.00 3.30 N ATOM 722 CA GLU A 45 8.909 -11.302 5.082 1.00 64.34 C ATOM 723 C GLU A 45 8.088 -12.001 6.198 1.00 5.23 C ATOM 724 O GLU A 45 8.055 -13.234 6.290 1.00 2.42 O ATOM 725 CB GLU A 45 10.393 -11.034 5.515 1.00 24.00 C ATOM 726 CG GLU A 45 11.418 -12.134 5.166 1.00 2.12 C ATOM 727 CD GLU A 45 11.187 -13.482 5.858 1.00 22.21 C ATOM 728 OE1 GLU A 45 11.485 -13.596 7.066 1.00 44.04 O ATOM 729 OE2 GLU A 45 10.729 -14.437 5.199 1.00 74.43 O ATOM 0 H GLU A 45 8.818 -9.207 4.959 1.00 3.30 H new ATOM 0 HA GLU A 45 8.928 -11.979 4.228 1.00 64.34 H new ATOM 0 HB2 GLU A 45 10.721 -10.102 5.054 1.00 24.00 H new ATOM 0 HB3 GLU A 45 10.412 -10.879 6.594 1.00 24.00 H new ATOM 0 HG2 GLU A 45 11.407 -12.290 4.087 1.00 2.12 H new ATOM 0 HG3 GLU A 45 12.414 -11.776 5.426 1.00 2.12 H new ATOM 736 N LYS A 46 7.416 -11.196 7.034 1.00 62.03 N ATOM 737 CA LYS A 46 6.508 -11.699 8.083 1.00 21.04 C ATOM 738 C LYS A 46 5.191 -12.217 7.454 1.00 34.12 C ATOM 739 O LYS A 46 4.828 -13.387 7.619 1.00 45.44 O ATOM 740 CB LYS A 46 6.230 -10.566 9.116 1.00 2.15 C ATOM 741 CG LYS A 46 7.507 -10.009 9.791 1.00 51.43 C ATOM 742 CD LYS A 46 7.255 -8.741 10.639 1.00 13.45 C ATOM 743 CE LYS A 46 8.553 -8.041 11.074 1.00 40.14 C ATOM 744 NZ LYS A 46 9.457 -8.924 11.858 1.00 42.41 N ATOM 0 H LYS A 46 7.484 -10.179 7.005 1.00 62.03 H new ATOM 0 HA LYS A 46 6.979 -12.535 8.600 1.00 21.04 H new ATOM 0 HB2 LYS A 46 5.710 -9.750 8.615 1.00 2.15 H new ATOM 0 HB3 LYS A 46 5.559 -10.946 9.887 1.00 2.15 H new ATOM 0 HG2 LYS A 46 7.938 -10.782 10.427 1.00 51.43 H new ATOM 0 HG3 LYS A 46 8.245 -9.781 9.022 1.00 51.43 H new ATOM 0 HD2 LYS A 46 6.647 -8.042 10.065 1.00 13.45 H new ATOM 0 HD3 LYS A 46 6.680 -9.011 11.525 1.00 13.45 H new ATOM 0 HE2 LYS A 46 9.081 -7.684 10.189 1.00 40.14 H new ATOM 0 HE3 LYS A 46 8.303 -7.164 11.671 1.00 40.14 H new ATOM 0 HZ1 LYS A 46 10.314 -8.397 12.122 1.00 42.41 H new ATOM 0 HZ2 LYS A 46 8.969 -9.245 12.718 1.00 42.41 H new ATOM 0 HZ3 LYS A 46 9.722 -9.749 11.282 1.00 42.41 H new ATOM 758 N ALA A 47 4.548 -11.338 6.657 1.00 43.13 N ATOM 759 CA ALA A 47 3.184 -11.544 6.104 1.00 10.55 C ATOM 760 C ALA A 47 3.099 -12.707 5.092 1.00 31.00 C ATOM 761 O ALA A 47 2.051 -13.359 4.976 1.00 61.31 O ATOM 762 CB ALA A 47 2.695 -10.238 5.465 1.00 25.50 C ATOM 0 H ALA A 47 4.964 -10.451 6.373 1.00 43.13 H new ATOM 0 HA ALA A 47 2.538 -11.825 6.935 1.00 10.55 H new ATOM 0 HB1 ALA A 47 1.695 -10.384 5.058 1.00 25.50 H new ATOM 0 HB2 ALA A 47 2.668 -9.452 6.219 1.00 25.50 H new ATOM 0 HB3 ALA A 47 3.374 -9.949 4.663 1.00 25.50 H new ATOM 768 N ARG A 48 4.202 -12.944 4.355 1.00 71.13 N ATOM 769 CA ARG A 48 4.284 -14.018 3.332 1.00 44.41 C ATOM 770 C ARG A 48 4.125 -15.417 3.974 1.00 24.13 C ATOM 771 O ARG A 48 3.423 -16.283 3.433 1.00 11.13 O ATOM 772 CB ARG A 48 5.638 -13.935 2.552 1.00 72.20 C ATOM 773 CG ARG A 48 6.885 -14.085 3.455 1.00 34.14 C ATOM 774 CD ARG A 48 8.227 -14.057 2.705 1.00 2.20 C ATOM 775 NE ARG A 48 8.415 -15.231 1.842 1.00 62.15 N ATOM 776 CZ ARG A 48 9.317 -16.222 2.023 1.00 22.22 C ATOM 777 NH1 ARG A 48 10.152 -16.236 3.065 1.00 31.20 N ATOM 778 NH2 ARG A 48 9.409 -17.173 1.104 1.00 1.04 N ATOM 0 H ARG A 48 5.061 -12.401 4.448 1.00 71.13 H new ATOM 0 HA ARG A 48 3.463 -13.869 2.630 1.00 44.41 H new ATOM 0 HB2 ARG A 48 5.656 -14.714 1.790 1.00 72.20 H new ATOM 0 HB3 ARG A 48 5.690 -12.978 2.032 1.00 72.20 H new ATOM 0 HG2 ARG A 48 6.880 -13.284 4.194 1.00 34.14 H new ATOM 0 HG3 ARG A 48 6.810 -15.024 4.003 1.00 34.14 H new ATOM 0 HD2 ARG A 48 8.282 -13.153 2.099 1.00 2.20 H new ATOM 0 HD3 ARG A 48 9.042 -14.007 3.427 1.00 2.20 H new ATOM 0 HE ARG A 48 7.806 -15.306 1.027 1.00 62.15 H new ATOM 0 HH11 ARG A 48 10.121 -15.484 3.754 1.00 31.20 H new ATOM 0 HH12 ARG A 48 10.821 -16.999 3.172 1.00 31.20 H new ATOM 0 HH21 ARG A 48 8.807 -17.147 0.281 1.00 1.04 H new ATOM 0 HH22 ARG A 48 10.082 -17.930 1.220 1.00 1.04 H new ATOM 792 N LYS A 49 4.768 -15.608 5.141 1.00 14.44 N ATOM 793 CA LYS A 49 4.770 -16.886 5.874 1.00 50.14 C ATOM 794 C LYS A 49 3.540 -16.989 6.784 1.00 75.14 C ATOM 795 O LYS A 49 3.030 -18.086 7.033 1.00 71.13 O ATOM 796 CB LYS A 49 6.055 -17.013 6.728 1.00 74.01 C ATOM 797 CG LYS A 49 7.383 -17.046 5.930 1.00 32.33 C ATOM 798 CD LYS A 49 8.631 -17.276 6.833 1.00 40.41 C ATOM 799 CE LYS A 49 9.052 -16.046 7.664 1.00 60.43 C ATOM 800 NZ LYS A 49 8.056 -15.650 8.698 1.00 41.21 N ATOM 0 H LYS A 49 5.304 -14.874 5.604 1.00 14.44 H new ATOM 0 HA LYS A 49 4.740 -17.695 5.144 1.00 50.14 H new ATOM 0 HB2 LYS A 49 6.091 -16.177 7.426 1.00 74.01 H new ATOM 0 HB3 LYS A 49 5.986 -17.923 7.324 1.00 74.01 H new ATOM 0 HG2 LYS A 49 7.332 -17.838 5.183 1.00 32.33 H new ATOM 0 HG3 LYS A 49 7.500 -16.106 5.391 1.00 32.33 H new ATOM 0 HD2 LYS A 49 8.426 -18.104 7.511 1.00 40.41 H new ATOM 0 HD3 LYS A 49 9.468 -17.578 6.204 1.00 40.41 H new ATOM 0 HE2 LYS A 49 10.004 -16.257 8.152 1.00 60.43 H new ATOM 0 HE3 LYS A 49 9.218 -15.204 6.992 1.00 60.43 H new ATOM 0 HZ1 LYS A 49 8.553 -15.306 9.545 1.00 41.21 H new ATOM 0 HZ2 LYS A 49 7.447 -14.895 8.323 1.00 41.21 H new ATOM 0 HZ3 LYS A 49 7.472 -16.472 8.950 1.00 41.21 H new ATOM 814 N GLN A 50 3.085 -15.825 7.280 1.00 3.32 N ATOM 815 CA GLN A 50 1.938 -15.730 8.190 1.00 33.34 C ATOM 816 C GLN A 50 0.625 -16.016 7.426 1.00 45.34 C ATOM 817 O GLN A 50 -0.334 -16.555 7.990 1.00 51.24 O ATOM 818 CB GLN A 50 1.900 -14.323 8.846 1.00 5.43 C ATOM 819 CG GLN A 50 0.904 -14.171 10.012 1.00 51.31 C ATOM 820 CD GLN A 50 1.188 -15.109 11.191 1.00 23.32 C ATOM 821 OE1 GLN A 50 0.668 -16.223 11.257 1.00 15.35 O ATOM 822 NE2 GLN A 50 2.027 -14.672 12.123 1.00 1.31 N ATOM 0 H GLN A 50 3.506 -14.923 7.058 1.00 3.32 H new ATOM 0 HA GLN A 50 2.043 -16.477 8.977 1.00 33.34 H new ATOM 0 HB2 GLN A 50 2.899 -14.081 9.208 1.00 5.43 H new ATOM 0 HB3 GLN A 50 1.653 -13.589 8.079 1.00 5.43 H new ATOM 0 HG2 GLN A 50 0.927 -13.140 10.366 1.00 51.31 H new ATOM 0 HG3 GLN A 50 -0.104 -14.360 9.644 1.00 51.31 H new ATOM 0 HE21 GLN A 50 2.442 -13.744 12.041 1.00 1.31 H new ATOM 0 HE22 GLN A 50 2.256 -15.264 12.921 1.00 1.31 H new ATOM 831 N GLY A 51 0.616 -15.644 6.130 1.00 72.45 N ATOM 832 CA GLY A 51 -0.517 -15.897 5.243 1.00 11.23 C ATOM 833 C GLY A 51 -1.659 -14.918 5.460 1.00 44.12 C ATOM 834 O GLY A 51 -2.774 -15.324 5.822 1.00 62.21 O ATOM 0 H GLY A 51 1.394 -15.163 5.679 1.00 72.45 H new ATOM 0 HA2 GLY A 51 -0.183 -15.836 4.207 1.00 11.23 H new ATOM 0 HA3 GLY A 51 -0.879 -16.913 5.402 1.00 11.23 H new ATOM 838 N ARG A 52 -1.381 -13.618 5.244 1.00 55.53 N ATOM 839 CA ARG A 52 -2.385 -12.546 5.420 1.00 55.20 C ATOM 840 C ARG A 52 -2.050 -11.321 4.542 1.00 33.34 C ATOM 841 O ARG A 52 -0.888 -11.145 4.149 1.00 50.34 O ATOM 842 CB ARG A 52 -2.476 -12.130 6.918 1.00 3.45 C ATOM 843 CG ARG A 52 -1.188 -11.535 7.531 1.00 33.41 C ATOM 844 CD ARG A 52 -1.371 -11.188 9.019 1.00 20.23 C ATOM 845 NE ARG A 52 -1.824 -12.358 9.799 1.00 51.13 N ATOM 846 CZ ARG A 52 -2.207 -12.354 11.086 1.00 23.14 C ATOM 847 NH1 ARG A 52 -2.201 -11.234 11.816 1.00 61.53 N ATOM 848 NH2 ARG A 52 -2.611 -13.494 11.633 1.00 53.25 N ATOM 0 H ARG A 52 -0.465 -13.282 4.946 1.00 55.53 H new ATOM 0 HA ARG A 52 -3.353 -12.934 5.103 1.00 55.20 H new ATOM 0 HB2 ARG A 52 -3.278 -11.399 7.024 1.00 3.45 H new ATOM 0 HB3 ARG A 52 -2.763 -13.005 7.502 1.00 3.45 H new ATOM 0 HG2 ARG A 52 -0.371 -12.248 7.422 1.00 33.41 H new ATOM 0 HG3 ARG A 52 -0.904 -10.638 6.981 1.00 33.41 H new ATOM 0 HD2 ARG A 52 -0.429 -10.821 9.426 1.00 20.23 H new ATOM 0 HD3 ARG A 52 -2.097 -10.381 9.118 1.00 20.23 H new ATOM 0 HE ARG A 52 -1.848 -13.255 9.313 1.00 51.13 H new ATOM 0 HH11 ARG A 52 -1.900 -10.354 11.397 1.00 61.53 H new ATOM 0 HH12 ARG A 52 -2.497 -11.260 12.792 1.00 61.53 H new ATOM 0 HH21 ARG A 52 -2.626 -14.349 11.077 1.00 53.25 H new ATOM 0 HH22 ARG A 52 -2.906 -13.515 12.609 1.00 53.25 H new ATOM 862 N PRO A 53 -3.076 -10.467 4.199 1.00 65.52 N ATOM 863 CA PRO A 53 -2.835 -9.137 3.597 1.00 1.02 C ATOM 864 C PRO A 53 -2.100 -8.195 4.579 1.00 53.22 C ATOM 865 O PRO A 53 -2.341 -8.226 5.802 1.00 1.44 O ATOM 866 CB PRO A 53 -4.260 -8.614 3.260 1.00 2.12 C ATOM 867 CG PRO A 53 -5.188 -9.404 4.129 1.00 70.51 C ATOM 868 CD PRO A 53 -4.535 -10.754 4.316 1.00 2.32 C ATOM 0 HA PRO A 53 -2.192 -9.187 2.718 1.00 1.02 H new ATOM 0 HB2 PRO A 53 -4.345 -7.546 3.463 1.00 2.12 H new ATOM 0 HB3 PRO A 53 -4.492 -8.758 2.205 1.00 2.12 H new ATOM 0 HG2 PRO A 53 -5.341 -8.909 5.088 1.00 70.51 H new ATOM 0 HG3 PRO A 53 -6.168 -9.506 3.662 1.00 70.51 H new ATOM 0 HD2 PRO A 53 -4.781 -11.185 5.286 1.00 2.32 H new ATOM 0 HD3 PRO A 53 -4.864 -11.465 3.558 1.00 2.32 H new ATOM 876 N ILE A 54 -1.193 -7.380 4.032 1.00 54.31 N ATOM 877 CA ILE A 54 -0.419 -6.398 4.794 1.00 55.50 C ATOM 878 C ILE A 54 -0.584 -5.013 4.144 1.00 2.42 C ATOM 879 O ILE A 54 -0.598 -4.890 2.912 1.00 73.55 O ATOM 880 CB ILE A 54 1.099 -6.810 4.883 1.00 74.40 C ATOM 881 CG1 ILE A 54 1.903 -5.766 5.718 1.00 65.35 C ATOM 882 CG2 ILE A 54 1.731 -7.026 3.481 1.00 4.52 C ATOM 883 CD1 ILE A 54 3.359 -6.093 5.923 1.00 3.44 C ATOM 0 H ILE A 54 -0.974 -7.384 3.036 1.00 54.31 H new ATOM 0 HA ILE A 54 -0.797 -6.361 5.816 1.00 55.50 H new ATOM 0 HB ILE A 54 1.149 -7.770 5.397 1.00 74.40 H new ATOM 0 HG12 ILE A 54 1.831 -4.797 5.225 1.00 65.35 H new ATOM 0 HG13 ILE A 54 1.429 -5.663 6.694 1.00 65.35 H new ATOM 0 HG21 ILE A 54 2.778 -7.308 3.593 1.00 4.52 H new ATOM 0 HG22 ILE A 54 1.195 -7.819 2.959 1.00 4.52 H new ATOM 0 HG23 ILE A 54 1.664 -6.103 2.906 1.00 4.52 H new ATOM 0 HD11 ILE A 54 3.829 -5.307 6.515 1.00 3.44 H new ATOM 0 HD12 ILE A 54 3.448 -7.044 6.448 1.00 3.44 H new ATOM 0 HD13 ILE A 54 3.856 -6.165 4.955 1.00 3.44 H new ATOM 895 N VAL A 55 -0.747 -3.979 4.984 1.00 62.43 N ATOM 896 CA VAL A 55 -0.993 -2.603 4.547 1.00 14.22 C ATOM 897 C VAL A 55 0.155 -1.700 5.025 1.00 22.11 C ATOM 898 O VAL A 55 0.383 -1.581 6.230 1.00 73.12 O ATOM 899 CB VAL A 55 -2.373 -2.058 5.092 1.00 2.21 C ATOM 900 CG1 VAL A 55 -2.778 -0.767 4.375 1.00 43.54 C ATOM 901 CG2 VAL A 55 -3.495 -3.101 4.960 1.00 62.43 C ATOM 0 H VAL A 55 -0.711 -4.080 5.998 1.00 62.43 H new ATOM 0 HA VAL A 55 -1.041 -2.595 3.458 1.00 14.22 H new ATOM 0 HB VAL A 55 -2.230 -1.846 6.152 1.00 2.21 H new ATOM 0 HG11 VAL A 55 -3.731 -0.415 4.770 1.00 43.54 H new ATOM 0 HG12 VAL A 55 -2.015 -0.006 4.537 1.00 43.54 H new ATOM 0 HG13 VAL A 55 -2.877 -0.960 3.307 1.00 43.54 H new ATOM 0 HG21 VAL A 55 -4.426 -2.685 5.346 1.00 62.43 H new ATOM 0 HG22 VAL A 55 -3.624 -3.366 3.911 1.00 62.43 H new ATOM 0 HG23 VAL A 55 -3.232 -3.992 5.530 1.00 62.43 H new ATOM 911 N ILE A 56 0.889 -1.085 4.079 1.00 65.23 N ATOM 912 CA ILE A 56 2.023 -0.195 4.394 1.00 72.10 C ATOM 913 C ILE A 56 1.580 1.274 4.254 1.00 33.44 C ATOM 914 O ILE A 56 1.287 1.731 3.151 1.00 5.23 O ATOM 915 CB ILE A 56 3.279 -0.494 3.480 1.00 53.43 C ATOM 916 CG1 ILE A 56 3.753 -1.982 3.636 1.00 51.51 C ATOM 917 CG2 ILE A 56 4.450 0.485 3.768 1.00 14.34 C ATOM 918 CD1 ILE A 56 4.221 -2.375 5.040 1.00 53.20 C ATOM 0 H ILE A 56 0.714 -1.190 3.080 1.00 65.23 H new ATOM 0 HA ILE A 56 2.329 -0.383 5.423 1.00 72.10 H new ATOM 0 HB ILE A 56 2.965 -0.340 2.448 1.00 53.43 H new ATOM 0 HG12 ILE A 56 2.933 -2.640 3.347 1.00 51.51 H new ATOM 0 HG13 ILE A 56 4.568 -2.162 2.935 1.00 51.51 H new ATOM 0 HG21 ILE A 56 5.293 0.245 3.119 1.00 14.34 H new ATOM 0 HG22 ILE A 56 4.125 1.508 3.577 1.00 14.34 H new ATOM 0 HG23 ILE A 56 4.756 0.390 4.810 1.00 14.34 H new ATOM 0 HD11 ILE A 56 4.527 -3.421 5.042 1.00 53.20 H new ATOM 0 HD12 ILE A 56 5.065 -1.749 5.331 1.00 53.20 H new ATOM 0 HD13 ILE A 56 3.404 -2.235 5.748 1.00 53.20 H new ATOM 930 N PHE A 57 1.525 1.997 5.382 1.00 12.23 N ATOM 931 CA PHE A 57 1.133 3.421 5.416 1.00 14.05 C ATOM 932 C PHE A 57 2.390 4.300 5.303 1.00 54.42 C ATOM 933 O PHE A 57 3.317 4.178 6.102 1.00 41.55 O ATOM 934 CB PHE A 57 0.365 3.755 6.732 1.00 1.45 C ATOM 935 CG PHE A 57 -1.043 3.186 6.808 1.00 43.11 C ATOM 936 CD1 PHE A 57 -1.255 1.827 7.028 1.00 35.50 C ATOM 937 CD2 PHE A 57 -2.161 4.010 6.642 1.00 2.10 C ATOM 938 CE1 PHE A 57 -2.533 1.316 7.077 1.00 74.30 C ATOM 939 CE2 PHE A 57 -3.433 3.492 6.682 1.00 34.02 C ATOM 940 CZ PHE A 57 -3.618 2.146 6.896 1.00 64.43 C ATOM 0 H PHE A 57 1.751 1.614 6.300 1.00 12.23 H new ATOM 0 HA PHE A 57 0.469 3.622 4.575 1.00 14.05 H new ATOM 0 HB2 PHE A 57 0.940 3.379 7.578 1.00 1.45 H new ATOM 0 HB3 PHE A 57 0.311 4.838 6.840 1.00 1.45 H new ATOM 0 HD1 PHE A 57 -0.410 1.168 7.161 1.00 35.50 H new ATOM 0 HD2 PHE A 57 -2.022 5.069 6.480 1.00 2.10 H new ATOM 0 HE1 PHE A 57 -2.685 0.262 7.258 1.00 74.30 H new ATOM 0 HE2 PHE A 57 -4.286 4.140 6.546 1.00 34.02 H new ATOM 0 HZ PHE A 57 -4.618 1.738 6.922 1.00 64.43 H new ATOM 950 N ILE A 58 2.418 5.167 4.297 1.00 44.44 N ATOM 951 CA ILE A 58 3.517 6.118 4.060 1.00 72.53 C ATOM 952 C ILE A 58 2.962 7.438 3.532 1.00 62.30 C ATOM 953 O ILE A 58 1.873 7.493 2.947 1.00 32.40 O ATOM 954 CB ILE A 58 4.594 5.576 3.042 1.00 10.03 C ATOM 955 CG1 ILE A 58 3.904 5.044 1.754 1.00 72.40 C ATOM 956 CG2 ILE A 58 5.519 4.510 3.681 1.00 13.23 C ATOM 957 CD1 ILE A 58 4.864 4.499 0.727 1.00 42.52 C ATOM 0 H ILE A 58 1.669 5.236 3.608 1.00 44.44 H new ATOM 0 HA ILE A 58 4.012 6.262 5.021 1.00 72.53 H new ATOM 0 HB ILE A 58 5.237 6.411 2.763 1.00 10.03 H new ATOM 0 HG12 ILE A 58 3.198 4.260 2.029 1.00 72.40 H new ATOM 0 HG13 ILE A 58 3.325 5.851 1.304 1.00 72.40 H new ATOM 0 HG21 ILE A 58 6.243 4.167 2.942 1.00 13.23 H new ATOM 0 HG22 ILE A 58 6.045 4.947 4.530 1.00 13.23 H new ATOM 0 HG23 ILE A 58 4.920 3.665 4.021 1.00 13.23 H new ATOM 0 HD11 ILE A 58 4.307 4.148 -0.141 1.00 42.52 H new ATOM 0 HD12 ILE A 58 5.555 5.285 0.421 1.00 42.52 H new ATOM 0 HD13 ILE A 58 5.425 3.670 1.158 1.00 42.52 H new ATOM 969 N ARG A 59 3.737 8.499 3.750 1.00 43.13 N ATOM 970 CA ARG A 59 3.442 9.827 3.223 1.00 64.22 C ATOM 971 C ARG A 59 3.868 9.898 1.740 1.00 20.15 C ATOM 972 O ARG A 59 4.776 9.163 1.320 1.00 44.44 O ATOM 973 CB ARG A 59 4.170 10.883 4.096 1.00 14.31 C ATOM 974 CG ARG A 59 3.670 12.325 3.937 1.00 63.25 C ATOM 975 CD ARG A 59 4.415 13.310 4.856 1.00 52.13 C ATOM 976 NE ARG A 59 3.824 14.657 4.829 1.00 42.44 N ATOM 977 CZ ARG A 59 4.337 15.739 5.434 1.00 22.25 C ATOM 978 NH1 ARG A 59 5.481 15.671 6.122 1.00 51.34 N ATOM 979 NH2 ARG A 59 3.681 16.891 5.367 1.00 20.43 N ATOM 0 H ARG A 59 4.594 8.459 4.302 1.00 43.13 H new ATOM 0 HA ARG A 59 2.373 10.034 3.264 1.00 64.22 H new ATOM 0 HB2 ARG A 59 4.071 10.595 5.143 1.00 14.31 H new ATOM 0 HB3 ARG A 59 5.233 10.857 3.857 1.00 14.31 H new ATOM 0 HG2 ARG A 59 3.793 12.637 2.900 1.00 63.25 H new ATOM 0 HG3 ARG A 59 2.603 12.363 4.157 1.00 63.25 H new ATOM 0 HD2 ARG A 59 4.402 12.931 5.878 1.00 52.13 H new ATOM 0 HD3 ARG A 59 5.460 13.368 4.551 1.00 52.13 H new ATOM 0 HE ARG A 59 2.955 14.778 4.309 1.00 42.44 H new ATOM 0 HH11 ARG A 59 5.981 14.785 6.194 1.00 51.34 H new ATOM 0 HH12 ARG A 59 5.854 16.505 6.575 1.00 51.34 H new ATOM 0 HH21 ARG A 59 2.798 16.946 4.860 1.00 20.43 H new ATOM 0 HH22 ARG A 59 4.060 17.721 5.823 1.00 20.43 H new ATOM 993 N GLY A 60 3.216 10.787 0.971 1.00 64.51 N ATOM 994 CA GLY A 60 3.437 10.905 -0.481 1.00 21.14 C ATOM 995 C GLY A 60 4.870 11.247 -0.904 1.00 5.23 C ATOM 996 O GLY A 60 5.234 11.045 -2.063 1.00 2.40 O ATOM 0 H GLY A 60 2.524 11.441 1.336 1.00 64.51 H new ATOM 0 HA2 GLY A 60 3.152 9.964 -0.952 1.00 21.14 H new ATOM 0 HA3 GLY A 60 2.768 11.672 -0.872 1.00 21.14 H new ATOM 1000 N ALA A 61 5.668 11.794 0.028 1.00 20.13 N ATOM 1001 CA ALA A 61 7.106 12.059 -0.198 1.00 44.44 C ATOM 1002 C ALA A 61 7.916 10.741 -0.284 1.00 53.43 C ATOM 1003 O ALA A 61 8.817 10.600 -1.116 1.00 25.01 O ATOM 1004 CB ALA A 61 7.641 12.956 0.930 1.00 33.12 C ATOM 0 H ALA A 61 5.341 12.065 0.955 1.00 20.13 H new ATOM 0 HA ALA A 61 7.222 12.572 -1.153 1.00 44.44 H new ATOM 0 HB1 ALA A 61 8.700 13.153 0.767 1.00 33.12 H new ATOM 0 HB2 ALA A 61 7.093 13.898 0.936 1.00 33.12 H new ATOM 0 HB3 ALA A 61 7.509 12.453 1.888 1.00 33.12 H new ATOM 1010 N TYR A 62 7.546 9.782 0.577 1.00 1.01 N ATOM 1011 CA TYR A 62 8.266 8.503 0.761 1.00 45.31 C ATOM 1012 C TYR A 62 7.988 7.473 -0.358 1.00 24.30 C ATOM 1013 O TYR A 62 8.832 6.616 -0.625 1.00 1.21 O ATOM 1014 CB TYR A 62 7.940 7.903 2.151 1.00 4.54 C ATOM 1015 CG TYR A 62 8.380 8.801 3.323 1.00 74.24 C ATOM 1016 CD1 TYR A 62 9.735 9.066 3.559 1.00 43.45 C ATOM 1017 CD2 TYR A 62 7.449 9.393 4.174 1.00 74.15 C ATOM 1018 CE1 TYR A 62 10.134 9.876 4.609 1.00 34.32 C ATOM 1019 CE2 TYR A 62 7.845 10.203 5.225 1.00 22.42 C ATOM 1020 CZ TYR A 62 9.186 10.445 5.437 1.00 43.23 C ATOM 1021 OH TYR A 62 9.581 11.253 6.489 1.00 12.02 O ATOM 0 H TYR A 62 6.726 9.870 1.177 1.00 1.01 H new ATOM 0 HA TYR A 62 9.330 8.732 0.701 1.00 45.31 H new ATOM 0 HB2 TYR A 62 6.866 7.728 2.220 1.00 4.54 H new ATOM 0 HB3 TYR A 62 8.428 6.933 2.243 1.00 4.54 H new ATOM 0 HD1 TYR A 62 10.481 8.631 2.911 1.00 43.45 H new ATOM 0 HD2 TYR A 62 6.396 9.216 4.010 1.00 74.15 H new ATOM 0 HE1 TYR A 62 11.184 10.062 4.780 1.00 34.32 H new ATOM 0 HE2 TYR A 62 7.106 10.644 5.877 1.00 22.42 H new ATOM 0 HH TYR A 62 8.790 11.573 6.971 1.00 12.02 H new ATOM 1031 N GLU A 63 6.793 7.554 -0.978 1.00 61.20 N ATOM 1032 CA GLU A 63 6.261 6.523 -1.908 1.00 53.04 C ATOM 1033 C GLU A 63 7.210 6.149 -3.077 1.00 1.21 C ATOM 1034 O GLU A 63 7.128 5.031 -3.598 1.00 41.44 O ATOM 1035 CB GLU A 63 4.868 6.923 -2.451 1.00 12.23 C ATOM 1036 CG GLU A 63 4.849 8.085 -3.480 1.00 42.03 C ATOM 1037 CD GLU A 63 3.511 8.243 -4.231 1.00 52.22 C ATOM 1038 OE1 GLU A 63 2.913 7.216 -4.632 1.00 54.04 O ATOM 1039 OE2 GLU A 63 3.044 9.390 -4.430 1.00 12.41 O ATOM 0 H GLU A 63 6.160 8.343 -0.849 1.00 61.20 H new ATOM 0 HA GLU A 63 6.173 5.622 -1.301 1.00 53.04 H new ATOM 0 HB2 GLU A 63 4.415 6.046 -2.914 1.00 12.23 H new ATOM 0 HB3 GLU A 63 4.237 7.201 -1.607 1.00 12.23 H new ATOM 0 HG2 GLU A 63 5.074 9.017 -2.962 1.00 42.03 H new ATOM 0 HG3 GLU A 63 5.644 7.924 -4.208 1.00 42.03 H new ATOM 1046 N GLU A 64 8.093 7.084 -3.479 1.00 3.52 N ATOM 1047 CA GLU A 64 9.077 6.863 -4.568 1.00 22.43 C ATOM 1048 C GLU A 64 9.972 5.618 -4.327 1.00 63.11 C ATOM 1049 O GLU A 64 10.379 4.937 -5.278 1.00 72.54 O ATOM 1050 CB GLU A 64 9.960 8.125 -4.752 1.00 73.11 C ATOM 1051 CG GLU A 64 10.755 8.530 -3.494 1.00 40.34 C ATOM 1052 CD GLU A 64 11.748 9.665 -3.759 1.00 75.13 C ATOM 1053 OE1 GLU A 64 11.321 10.835 -3.820 1.00 33.34 O ATOM 1054 OE2 GLU A 64 12.958 9.393 -3.923 1.00 2.23 O ATOM 0 H GLU A 64 8.148 8.013 -3.062 1.00 3.52 H new ATOM 0 HA GLU A 64 8.507 6.674 -5.478 1.00 22.43 H new ATOM 0 HB2 GLU A 64 10.660 7.949 -5.569 1.00 73.11 H new ATOM 0 HB3 GLU A 64 9.325 8.959 -5.050 1.00 73.11 H new ATOM 0 HG2 GLU A 64 10.059 8.837 -2.713 1.00 40.34 H new ATOM 0 HG3 GLU A 64 11.295 7.662 -3.116 1.00 40.34 H new ATOM 1061 N VAL A 65 10.236 5.322 -3.043 1.00 54.43 N ATOM 1062 CA VAL A 65 11.092 4.203 -2.616 1.00 52.33 C ATOM 1063 C VAL A 65 10.415 2.833 -2.896 1.00 65.03 C ATOM 1064 O VAL A 65 11.104 1.848 -3.185 1.00 60.30 O ATOM 1065 CB VAL A 65 11.444 4.340 -1.085 1.00 51.01 C ATOM 1066 CG1 VAL A 65 12.435 3.259 -0.623 1.00 70.43 C ATOM 1067 CG2 VAL A 65 11.989 5.750 -0.755 1.00 54.42 C ATOM 0 H VAL A 65 9.856 5.860 -2.264 1.00 54.43 H new ATOM 0 HA VAL A 65 12.013 4.243 -3.197 1.00 52.33 H new ATOM 0 HB VAL A 65 10.514 4.194 -0.535 1.00 51.01 H new ATOM 0 HG11 VAL A 65 12.649 3.391 0.437 1.00 70.43 H new ATOM 0 HG12 VAL A 65 11.999 2.273 -0.785 1.00 70.43 H new ATOM 0 HG13 VAL A 65 13.360 3.345 -1.194 1.00 70.43 H new ATOM 0 HG21 VAL A 65 12.222 5.811 0.308 1.00 54.42 H new ATOM 0 HG22 VAL A 65 12.893 5.936 -1.335 1.00 54.42 H new ATOM 0 HG23 VAL A 65 11.237 6.498 -1.005 1.00 54.42 H new ATOM 1077 N VAL A 66 9.060 2.799 -2.847 1.00 24.20 N ATOM 1078 CA VAL A 66 8.263 1.563 -3.065 1.00 13.50 C ATOM 1079 C VAL A 66 8.528 0.949 -4.449 1.00 54.35 C ATOM 1080 O VAL A 66 8.504 -0.265 -4.590 1.00 3.12 O ATOM 1081 CB VAL A 66 6.719 1.808 -2.860 1.00 64.40 C ATOM 1082 CG1 VAL A 66 5.870 0.538 -3.143 1.00 64.24 C ATOM 1083 CG2 VAL A 66 6.457 2.328 -1.435 1.00 63.52 C ATOM 0 H VAL A 66 8.490 3.623 -2.656 1.00 24.20 H new ATOM 0 HA VAL A 66 8.592 0.851 -2.308 1.00 13.50 H new ATOM 0 HB VAL A 66 6.408 2.559 -3.586 1.00 64.40 H new ATOM 0 HG11 VAL A 66 4.815 0.763 -2.987 1.00 64.24 H new ATOM 0 HG12 VAL A 66 6.024 0.220 -4.174 1.00 64.24 H new ATOM 0 HG13 VAL A 66 6.174 -0.261 -2.467 1.00 64.24 H new ATOM 0 HG21 VAL A 66 5.388 2.495 -1.299 1.00 63.52 H new ATOM 0 HG22 VAL A 66 6.804 1.592 -0.710 1.00 63.52 H new ATOM 0 HG23 VAL A 66 6.993 3.265 -1.285 1.00 63.52 H new ATOM 1093 N ARG A 67 8.814 1.798 -5.458 1.00 53.01 N ATOM 1094 CA ARG A 67 9.171 1.336 -6.825 1.00 54.50 C ATOM 1095 C ARG A 67 10.373 0.350 -6.781 1.00 51.33 C ATOM 1096 O ARG A 67 10.414 -0.647 -7.513 1.00 15.23 O ATOM 1097 CB ARG A 67 9.543 2.545 -7.720 1.00 23.55 C ATOM 1098 CG ARG A 67 9.864 2.200 -9.207 1.00 61.51 C ATOM 1099 CD ARG A 67 10.996 3.070 -9.794 1.00 43.04 C ATOM 1100 NE ARG A 67 12.299 2.783 -9.157 1.00 4.43 N ATOM 1101 CZ ARG A 67 13.241 3.692 -8.850 1.00 50.42 C ATOM 1102 NH1 ARG A 67 13.058 4.993 -9.098 1.00 23.05 N ATOM 1103 NH2 ARG A 67 14.378 3.279 -8.309 1.00 33.12 N ATOM 0 H ARG A 67 8.806 2.813 -5.355 1.00 53.01 H new ATOM 0 HA ARG A 67 8.304 0.823 -7.241 1.00 54.50 H new ATOM 0 HB2 ARG A 67 8.719 3.258 -7.699 1.00 23.55 H new ATOM 0 HB3 ARG A 67 10.408 3.045 -7.285 1.00 23.55 H new ATOM 0 HG2 ARG A 67 10.146 1.149 -9.278 1.00 61.51 H new ATOM 0 HG3 ARG A 67 8.964 2.330 -9.808 1.00 61.51 H new ATOM 0 HD2 ARG A 67 11.070 2.894 -10.867 1.00 43.04 H new ATOM 0 HD3 ARG A 67 10.751 4.124 -9.660 1.00 43.04 H new ATOM 0 HE ARG A 67 12.501 1.809 -8.930 1.00 4.43 H new ATOM 0 HH11 ARG A 67 12.190 5.313 -9.528 1.00 23.05 H new ATOM 0 HH12 ARG A 67 13.786 5.665 -8.857 1.00 23.05 H new ATOM 0 HH21 ARG A 67 14.527 2.286 -8.132 1.00 33.12 H new ATOM 0 HH22 ARG A 67 15.104 3.954 -8.070 1.00 33.12 H new ATOM 1117 N ASP A 68 11.343 0.668 -5.904 1.00 11.51 N ATOM 1118 CA ASP A 68 12.542 -0.159 -5.674 1.00 35.43 C ATOM 1119 C ASP A 68 12.189 -1.417 -4.834 1.00 74.33 C ATOM 1120 O ASP A 68 12.552 -2.538 -5.203 1.00 52.20 O ATOM 1121 CB ASP A 68 13.640 0.706 -4.986 1.00 43.21 C ATOM 1122 CG ASP A 68 14.975 -0.036 -4.787 1.00 21.12 C ATOM 1123 OD1 ASP A 68 15.155 -0.703 -3.751 1.00 54.21 O ATOM 1124 OD2 ASP A 68 15.857 0.044 -5.669 1.00 34.42 O ATOM 0 H ASP A 68 11.317 1.512 -5.331 1.00 11.51 H new ATOM 0 HA ASP A 68 12.930 -0.513 -6.629 1.00 35.43 H new ATOM 0 HB2 ASP A 68 13.816 1.599 -5.586 1.00 43.21 H new ATOM 0 HB3 ASP A 68 13.272 1.041 -4.016 1.00 43.21 H new ATOM 1129 N ILE A 69 11.423 -1.209 -3.736 1.00 33.40 N ATOM 1130 CA ILE A 69 11.086 -2.268 -2.741 1.00 3.13 C ATOM 1131 C ILE A 69 10.194 -3.374 -3.356 1.00 21.50 C ATOM 1132 O ILE A 69 10.357 -4.563 -3.053 1.00 11.13 O ATOM 1133 CB ILE A 69 10.320 -1.677 -1.493 1.00 42.43 C ATOM 1134 CG1 ILE A 69 11.065 -0.459 -0.877 1.00 45.12 C ATOM 1135 CG2 ILE A 69 10.076 -2.768 -0.410 1.00 34.42 C ATOM 1136 CD1 ILE A 69 10.260 0.287 0.181 1.00 25.41 C ATOM 0 H ILE A 69 11.018 -0.300 -3.511 1.00 33.40 H new ATOM 0 HA ILE A 69 12.041 -2.691 -2.428 1.00 3.13 H new ATOM 0 HB ILE A 69 9.353 -1.327 -1.854 1.00 42.43 H new ATOM 0 HG12 ILE A 69 11.999 -0.803 -0.433 1.00 45.12 H new ATOM 0 HG13 ILE A 69 11.328 0.235 -1.675 1.00 45.12 H new ATOM 0 HG21 ILE A 69 9.547 -2.329 0.436 1.00 34.42 H new ATOM 0 HG22 ILE A 69 9.477 -3.574 -0.834 1.00 34.42 H new ATOM 0 HG23 ILE A 69 11.033 -3.166 -0.072 1.00 34.42 H new ATOM 0 HD11 ILE A 69 10.847 1.122 0.563 1.00 25.41 H new ATOM 0 HD12 ILE A 69 9.338 0.664 -0.262 1.00 25.41 H new ATOM 0 HD13 ILE A 69 10.019 -0.391 1.000 1.00 25.41 H new ATOM 1148 N VAL A 70 9.265 -2.949 -4.231 1.00 13.40 N ATOM 1149 CA VAL A 70 8.139 -3.772 -4.708 1.00 63.00 C ATOM 1150 C VAL A 70 8.615 -5.044 -5.443 1.00 41.30 C ATOM 1151 O VAL A 70 7.933 -6.075 -5.407 1.00 45.53 O ATOM 1152 CB VAL A 70 7.167 -2.924 -5.614 1.00 51.35 C ATOM 1153 CG1 VAL A 70 7.773 -2.587 -6.995 1.00 63.34 C ATOM 1154 CG2 VAL A 70 5.789 -3.591 -5.744 1.00 25.34 C ATOM 0 H VAL A 70 9.275 -2.011 -4.632 1.00 13.40 H new ATOM 0 HA VAL A 70 7.588 -4.102 -3.828 1.00 63.00 H new ATOM 0 HB VAL A 70 7.026 -1.971 -5.104 1.00 51.35 H new ATOM 0 HG11 VAL A 70 7.058 -2.002 -7.573 1.00 63.34 H new ATOM 0 HG12 VAL A 70 8.688 -2.010 -6.860 1.00 63.34 H new ATOM 0 HG13 VAL A 70 8.001 -3.510 -7.527 1.00 63.34 H new ATOM 0 HG21 VAL A 70 5.146 -2.978 -6.376 1.00 25.34 H new ATOM 0 HG22 VAL A 70 5.903 -4.578 -6.192 1.00 25.34 H new ATOM 0 HG23 VAL A 70 5.339 -3.691 -4.756 1.00 25.34 H new ATOM 1164 N GLU A 71 9.805 -4.946 -6.087 1.00 20.24 N ATOM 1165 CA GLU A 71 10.428 -6.054 -6.833 1.00 13.32 C ATOM 1166 C GLU A 71 10.617 -7.301 -5.944 1.00 52.31 C ATOM 1167 O GLU A 71 10.490 -8.442 -6.413 1.00 31.41 O ATOM 1168 CB GLU A 71 11.787 -5.606 -7.429 1.00 73.31 C ATOM 1169 CG GLU A 71 12.403 -6.631 -8.401 1.00 52.23 C ATOM 1170 CD GLU A 71 13.867 -6.345 -8.733 1.00 11.32 C ATOM 1171 OE1 GLU A 71 14.748 -6.840 -7.996 1.00 2.23 O ATOM 1172 OE2 GLU A 71 14.147 -5.644 -9.727 1.00 52.12 O ATOM 0 H GLU A 71 10.358 -4.089 -6.100 1.00 20.24 H new ATOM 0 HA GLU A 71 9.756 -6.325 -7.647 1.00 13.32 H new ATOM 0 HB2 GLU A 71 11.651 -4.659 -7.951 1.00 73.31 H new ATOM 0 HB3 GLU A 71 12.488 -5.423 -6.615 1.00 73.31 H new ATOM 0 HG2 GLU A 71 12.324 -7.627 -7.966 1.00 52.23 H new ATOM 0 HG3 GLU A 71 11.823 -6.640 -9.324 1.00 52.23 H new ATOM 1179 N TYR A 72 10.875 -7.053 -4.649 1.00 54.32 N ATOM 1180 CA TYR A 72 11.035 -8.111 -3.635 1.00 53.00 C ATOM 1181 C TYR A 72 9.723 -8.905 -3.466 1.00 54.31 C ATOM 1182 O TYR A 72 9.741 -10.136 -3.380 1.00 24.43 O ATOM 1183 CB TYR A 72 11.503 -7.506 -2.276 1.00 23.20 C ATOM 1184 CG TYR A 72 11.543 -8.519 -1.119 1.00 31.33 C ATOM 1185 CD1 TYR A 72 12.564 -9.470 -1.022 1.00 40.53 C ATOM 1186 CD2 TYR A 72 10.542 -8.543 -0.144 1.00 11.42 C ATOM 1187 CE1 TYR A 72 12.578 -10.400 0.002 1.00 0.35 C ATOM 1188 CE2 TYR A 72 10.560 -9.467 0.876 1.00 43.11 C ATOM 1189 CZ TYR A 72 11.575 -10.392 0.947 1.00 63.22 C ATOM 1190 OH TYR A 72 11.587 -11.315 1.967 1.00 41.24 O ATOM 0 H TYR A 72 10.979 -6.110 -4.274 1.00 54.32 H new ATOM 0 HA TYR A 72 11.805 -8.802 -3.978 1.00 53.00 H new ATOM 0 HB2 TYR A 72 12.497 -7.077 -2.404 1.00 23.20 H new ATOM 0 HB3 TYR A 72 10.836 -6.688 -2.006 1.00 23.20 H new ATOM 0 HD1 TYR A 72 13.354 -9.478 -1.758 1.00 40.53 H new ATOM 0 HD2 TYR A 72 9.739 -7.823 -0.192 1.00 11.42 H new ATOM 0 HE1 TYR A 72 13.372 -11.130 0.061 1.00 0.35 H new ATOM 0 HE2 TYR A 72 9.777 -9.466 1.620 1.00 43.11 H new ATOM 0 HH TYR A 72 12.513 -11.558 2.177 1.00 41.24 H new ATOM 1200 N ALA A 73 8.589 -8.190 -3.439 1.00 64.05 N ATOM 1201 CA ALA A 73 7.259 -8.805 -3.301 1.00 11.54 C ATOM 1202 C ALA A 73 6.845 -9.535 -4.600 1.00 54.01 C ATOM 1203 O ALA A 73 6.125 -10.533 -4.552 1.00 15.40 O ATOM 1204 CB ALA A 73 6.226 -7.746 -2.908 1.00 34.13 C ATOM 0 H ALA A 73 8.567 -7.173 -3.512 1.00 64.05 H new ATOM 0 HA ALA A 73 7.305 -9.552 -2.508 1.00 11.54 H new ATOM 0 HB1 ALA A 73 5.246 -8.213 -2.809 1.00 34.13 H new ATOM 0 HB2 ALA A 73 6.511 -7.295 -1.957 1.00 34.13 H new ATOM 0 HB3 ALA A 73 6.184 -6.975 -3.677 1.00 34.13 H new ATOM 1210 N GLN A 74 7.309 -9.014 -5.756 1.00 0.05 N ATOM 1211 CA GLN A 74 7.050 -9.606 -7.093 1.00 41.34 C ATOM 1212 C GLN A 74 7.706 -10.994 -7.219 1.00 41.22 C ATOM 1213 O GLN A 74 7.088 -11.946 -7.707 1.00 44.40 O ATOM 1214 CB GLN A 74 7.601 -8.691 -8.209 1.00 64.22 C ATOM 1215 CG GLN A 74 6.987 -7.287 -8.260 1.00 24.45 C ATOM 1216 CD GLN A 74 7.623 -6.417 -9.341 1.00 51.20 C ATOM 1217 OE1 GLN A 74 8.800 -6.568 -9.688 1.00 23.34 O ATOM 1218 NE2 GLN A 74 6.864 -5.500 -9.865 1.00 14.01 N ATOM 0 H GLN A 74 7.877 -8.167 -5.792 1.00 0.05 H new ATOM 0 HA GLN A 74 5.970 -9.707 -7.201 1.00 41.34 H new ATOM 0 HB2 GLN A 74 8.679 -8.595 -8.080 1.00 64.22 H new ATOM 0 HB3 GLN A 74 7.437 -9.178 -9.171 1.00 64.22 H new ATOM 0 HG2 GLN A 74 5.916 -7.368 -8.445 1.00 24.45 H new ATOM 0 HG3 GLN A 74 7.108 -6.804 -7.290 1.00 24.45 H new ATOM 0 HE21 GLN A 74 5.897 -5.401 -9.557 1.00 14.01 H new ATOM 0 HE22 GLN A 74 7.236 -4.880 -10.584 1.00 14.01 H new ATOM 1227 N LYS A 75 8.977 -11.085 -6.777 1.00 14.53 N ATOM 1228 CA LYS A 75 9.754 -12.346 -6.827 1.00 41.32 C ATOM 1229 C LYS A 75 9.306 -13.317 -5.716 1.00 24.11 C ATOM 1230 O LYS A 75 9.630 -14.512 -5.751 1.00 24.32 O ATOM 1231 CB LYS A 75 11.284 -12.059 -6.754 1.00 44.22 C ATOM 1232 CG LYS A 75 11.779 -11.477 -5.413 1.00 74.30 C ATOM 1233 CD LYS A 75 13.260 -11.023 -5.436 1.00 32.35 C ATOM 1234 CE LYS A 75 13.523 -9.879 -6.428 1.00 33.21 C ATOM 1235 NZ LYS A 75 14.940 -9.417 -6.392 1.00 41.52 N ATOM 0 H LYS A 75 9.491 -10.299 -6.380 1.00 14.53 H new ATOM 0 HA LYS A 75 9.555 -12.830 -7.783 1.00 41.32 H new ATOM 0 HB2 LYS A 75 11.821 -12.987 -6.950 1.00 44.22 H new ATOM 0 HB3 LYS A 75 11.546 -11.364 -7.552 1.00 44.22 H new ATOM 0 HG2 LYS A 75 11.152 -10.627 -5.143 1.00 74.30 H new ATOM 0 HG3 LYS A 75 11.651 -12.227 -4.633 1.00 74.30 H new ATOM 0 HD2 LYS A 75 13.552 -10.703 -4.436 1.00 32.35 H new ATOM 0 HD3 LYS A 75 13.891 -11.873 -5.695 1.00 32.35 H new ATOM 0 HE2 LYS A 75 13.276 -10.211 -7.436 1.00 33.21 H new ATOM 0 HE3 LYS A 75 12.864 -9.042 -6.198 1.00 33.21 H new ATOM 0 HZ1 LYS A 75 15.031 -8.533 -6.932 1.00 41.52 H new ATOM 0 HZ2 LYS A 75 15.226 -9.252 -5.406 1.00 41.52 H new ATOM 0 HZ3 LYS A 75 15.553 -10.144 -6.813 1.00 41.52 H new ATOM 1249 N GLU A 76 8.549 -12.785 -4.742 1.00 33.00 N ATOM 1250 CA GLU A 76 7.834 -13.584 -3.735 1.00 54.33 C ATOM 1251 C GLU A 76 6.477 -14.102 -4.274 1.00 51.22 C ATOM 1252 O GLU A 76 5.844 -14.961 -3.642 1.00 43.12 O ATOM 1253 CB GLU A 76 7.633 -12.759 -2.424 1.00 70.02 C ATOM 1254 CG GLU A 76 8.861 -12.736 -1.489 1.00 44.00 C ATOM 1255 CD GLU A 76 9.386 -14.147 -1.164 1.00 64.33 C ATOM 1256 OE1 GLU A 76 8.558 -15.067 -0.940 1.00 2.31 O ATOM 1257 OE2 GLU A 76 10.617 -14.351 -1.132 1.00 10.54 O ATOM 0 H GLU A 76 8.416 -11.780 -4.631 1.00 33.00 H new ATOM 0 HA GLU A 76 8.447 -14.456 -3.507 1.00 54.33 H new ATOM 0 HB2 GLU A 76 7.376 -11.734 -2.690 1.00 70.02 H new ATOM 0 HB3 GLU A 76 6.784 -13.169 -1.878 1.00 70.02 H new ATOM 0 HG2 GLU A 76 9.657 -12.155 -1.955 1.00 44.00 H new ATOM 0 HG3 GLU A 76 8.597 -12.228 -0.561 1.00 44.00 H new ATOM 1264 N GLY A 77 6.040 -13.569 -5.435 1.00 25.24 N ATOM 1265 CA GLY A 77 4.763 -13.960 -6.047 1.00 12.51 C ATOM 1266 C GLY A 77 3.555 -13.360 -5.333 1.00 11.41 C ATOM 1267 O GLY A 77 2.425 -13.848 -5.476 1.00 2.12 O ATOM 0 H GLY A 77 6.557 -12.867 -5.964 1.00 25.24 H new ATOM 0 HA2 GLY A 77 4.755 -13.646 -7.091 1.00 12.51 H new ATOM 0 HA3 GLY A 77 4.680 -15.047 -6.040 1.00 12.51 H new ATOM 1271 N LEU A 78 3.805 -12.297 -4.553 1.00 53.23 N ATOM 1272 CA LEU A 78 2.768 -11.586 -3.797 1.00 35.42 C ATOM 1273 C LEU A 78 2.070 -10.566 -4.697 1.00 33.21 C ATOM 1274 O LEU A 78 2.711 -9.943 -5.557 1.00 73.11 O ATOM 1275 CB LEU A 78 3.375 -10.890 -2.548 1.00 32.11 C ATOM 1276 CG LEU A 78 4.127 -11.813 -1.539 1.00 72.13 C ATOM 1277 CD1 LEU A 78 4.531 -11.033 -0.280 1.00 64.43 C ATOM 1278 CD2 LEU A 78 3.301 -13.064 -1.175 1.00 71.11 C ATOM 0 H LEU A 78 4.739 -11.906 -4.430 1.00 53.23 H new ATOM 0 HA LEU A 78 2.031 -12.311 -3.452 1.00 35.42 H new ATOM 0 HB2 LEU A 78 4.067 -10.120 -2.888 1.00 32.11 H new ATOM 0 HB3 LEU A 78 2.571 -10.383 -2.014 1.00 32.11 H new ATOM 0 HG LEU A 78 5.035 -12.160 -2.032 1.00 72.13 H new ATOM 0 HD11 LEU A 78 5.053 -11.698 0.408 1.00 64.43 H new ATOM 0 HD12 LEU A 78 5.188 -10.209 -0.558 1.00 64.43 H new ATOM 0 HD13 LEU A 78 3.639 -10.638 0.205 1.00 64.43 H new ATOM 0 HD21 LEU A 78 3.862 -13.678 -0.471 1.00 71.11 H new ATOM 0 HD22 LEU A 78 2.359 -12.758 -0.720 1.00 71.11 H new ATOM 0 HD23 LEU A 78 3.097 -13.641 -2.077 1.00 71.11 H new ATOM 1290 N ARG A 79 0.754 -10.413 -4.496 1.00 30.24 N ATOM 1291 CA ARG A 79 -0.081 -9.502 -5.283 1.00 32.23 C ATOM 1292 C ARG A 79 0.215 -8.057 -4.825 1.00 24.44 C ATOM 1293 O ARG A 79 -0.069 -7.703 -3.679 1.00 40.31 O ATOM 1294 CB ARG A 79 -1.592 -9.884 -5.104 1.00 3.32 C ATOM 1295 CG ARG A 79 -2.502 -9.564 -6.316 1.00 32.14 C ATOM 1296 CD ARG A 79 -2.605 -8.068 -6.659 1.00 62.34 C ATOM 1297 NE ARG A 79 -3.315 -7.845 -7.923 1.00 13.13 N ATOM 1298 CZ ARG A 79 -3.875 -6.691 -8.304 1.00 63.50 C ATOM 1299 NH1 ARG A 79 -3.838 -5.610 -7.527 1.00 72.23 N ATOM 1300 NH2 ARG A 79 -4.438 -6.610 -9.486 1.00 30.50 N ATOM 0 H ARG A 79 0.238 -10.922 -3.778 1.00 30.24 H new ATOM 0 HA ARG A 79 0.145 -9.581 -6.346 1.00 32.23 H new ATOM 0 HB2 ARG A 79 -1.658 -10.951 -4.893 1.00 3.32 H new ATOM 0 HB3 ARG A 79 -1.981 -9.362 -4.230 1.00 3.32 H new ATOM 0 HG2 ARG A 79 -2.126 -10.099 -7.188 1.00 32.14 H new ATOM 0 HG3 ARG A 79 -3.502 -9.947 -6.114 1.00 32.14 H new ATOM 0 HD2 ARG A 79 -3.123 -7.546 -5.855 1.00 62.34 H new ATOM 0 HD3 ARG A 79 -1.604 -7.641 -6.724 1.00 62.34 H new ATOM 0 HE ARG A 79 -3.388 -8.635 -8.564 1.00 13.13 H new ATOM 0 HH11 ARG A 79 -3.375 -5.650 -6.619 1.00 72.23 H new ATOM 0 HH12 ARG A 79 -4.272 -4.742 -7.840 1.00 72.23 H new ATOM 0 HH21 ARG A 79 -4.446 -7.422 -10.104 1.00 30.50 H new ATOM 0 HH22 ARG A 79 -4.868 -5.736 -9.787 1.00 30.50 H new ATOM 1314 N VAL A 80 0.771 -7.232 -5.734 1.00 75.34 N ATOM 1315 CA VAL A 80 1.280 -5.896 -5.394 1.00 74.01 C ATOM 1316 C VAL A 80 0.319 -4.808 -5.912 1.00 4.23 C ATOM 1317 O VAL A 80 0.008 -4.731 -7.112 1.00 5.44 O ATOM 1318 CB VAL A 80 2.746 -5.699 -5.949 1.00 25.02 C ATOM 1319 CG1 VAL A 80 3.735 -6.640 -5.221 1.00 12.34 C ATOM 1320 CG2 VAL A 80 2.830 -5.917 -7.483 1.00 60.23 C ATOM 0 H VAL A 80 0.878 -7.475 -6.719 1.00 75.34 H new ATOM 0 HA VAL A 80 1.330 -5.803 -4.309 1.00 74.01 H new ATOM 0 HB VAL A 80 3.024 -4.664 -5.751 1.00 25.02 H new ATOM 0 HG11 VAL A 80 4.739 -6.489 -5.617 1.00 12.34 H new ATOM 0 HG12 VAL A 80 3.729 -6.419 -4.154 1.00 12.34 H new ATOM 0 HG13 VAL A 80 3.434 -7.676 -5.378 1.00 12.34 H new ATOM 0 HG21 VAL A 80 3.858 -5.770 -7.816 1.00 60.23 H new ATOM 0 HG22 VAL A 80 2.512 -6.931 -7.724 1.00 60.23 H new ATOM 0 HG23 VAL A 80 2.180 -5.203 -7.988 1.00 60.23 H new ATOM 1330 N LEU A 81 -0.195 -4.012 -4.967 1.00 15.21 N ATOM 1331 CA LEU A 81 -1.169 -2.948 -5.223 1.00 52.23 C ATOM 1332 C LEU A 81 -0.810 -1.723 -4.377 1.00 2.14 C ATOM 1333 O LEU A 81 -0.724 -1.829 -3.155 1.00 74.52 O ATOM 1334 CB LEU A 81 -2.592 -3.470 -4.874 1.00 20.13 C ATOM 1335 CG LEU A 81 -3.788 -2.518 -5.168 1.00 24.43 C ATOM 1336 CD1 LEU A 81 -3.842 -2.148 -6.645 1.00 31.14 C ATOM 1337 CD2 LEU A 81 -5.118 -3.146 -4.709 1.00 43.24 C ATOM 0 H LEU A 81 0.061 -4.092 -3.983 1.00 15.21 H new ATOM 0 HA LEU A 81 -1.152 -2.659 -6.274 1.00 52.23 H new ATOM 0 HB2 LEU A 81 -2.756 -4.398 -5.422 1.00 20.13 H new ATOM 0 HB3 LEU A 81 -2.610 -3.719 -3.813 1.00 20.13 H new ATOM 0 HG LEU A 81 -3.634 -1.602 -4.598 1.00 24.43 H new ATOM 0 HD11 LEU A 81 -4.687 -1.482 -6.823 1.00 31.14 H new ATOM 0 HD12 LEU A 81 -2.918 -1.645 -6.928 1.00 31.14 H new ATOM 0 HD13 LEU A 81 -3.960 -3.052 -7.242 1.00 31.14 H new ATOM 0 HD21 LEU A 81 -5.938 -2.461 -4.926 1.00 43.24 H new ATOM 0 HD22 LEU A 81 -5.279 -4.084 -5.239 1.00 43.24 H new ATOM 0 HD23 LEU A 81 -5.079 -3.337 -3.637 1.00 43.24 H new ATOM 1349 N VAL A 82 -0.568 -0.565 -5.009 1.00 64.22 N ATOM 1350 CA VAL A 82 -0.346 0.701 -4.278 1.00 43.45 C ATOM 1351 C VAL A 82 -1.583 1.611 -4.431 1.00 1.42 C ATOM 1352 O VAL A 82 -2.029 1.907 -5.545 1.00 15.43 O ATOM 1353 CB VAL A 82 0.980 1.439 -4.723 1.00 51.13 C ATOM 1354 CG1 VAL A 82 2.227 0.569 -4.432 1.00 71.44 C ATOM 1355 CG2 VAL A 82 0.946 1.849 -6.203 1.00 41.01 C ATOM 0 H VAL A 82 -0.520 -0.474 -6.024 1.00 64.22 H new ATOM 0 HA VAL A 82 -0.210 0.460 -3.224 1.00 43.45 H new ATOM 0 HB VAL A 82 1.046 2.352 -4.131 1.00 51.13 H new ATOM 0 HG11 VAL A 82 3.124 1.102 -4.748 1.00 71.44 H new ATOM 0 HG12 VAL A 82 2.285 0.363 -3.363 1.00 71.44 H new ATOM 0 HG13 VAL A 82 2.151 -0.371 -4.979 1.00 71.44 H new ATOM 0 HG21 VAL A 82 1.877 2.352 -6.463 1.00 41.01 H new ATOM 0 HG22 VAL A 82 0.828 0.961 -6.824 1.00 41.01 H new ATOM 0 HG23 VAL A 82 0.108 2.525 -6.374 1.00 41.01 H new ATOM 1365 N ILE A 83 -2.180 1.976 -3.292 1.00 51.53 N ATOM 1366 CA ILE A 83 -3.343 2.870 -3.216 1.00 0.10 C ATOM 1367 C ILE A 83 -2.852 4.274 -2.811 1.00 32.22 C ATOM 1368 O ILE A 83 -2.424 4.467 -1.680 1.00 12.53 O ATOM 1369 CB ILE A 83 -4.377 2.320 -2.165 1.00 10.02 C ATOM 1370 CG1 ILE A 83 -4.706 0.828 -2.474 1.00 55.12 C ATOM 1371 CG2 ILE A 83 -5.666 3.181 -2.123 1.00 0.21 C ATOM 1372 CD1 ILE A 83 -5.561 0.144 -1.441 1.00 64.43 C ATOM 0 H ILE A 83 -1.863 1.653 -2.378 1.00 51.53 H new ATOM 0 HA ILE A 83 -3.842 2.922 -4.184 1.00 0.10 H new ATOM 0 HB ILE A 83 -3.923 2.382 -1.176 1.00 10.02 H new ATOM 0 HG12 ILE A 83 -5.212 0.774 -3.438 1.00 55.12 H new ATOM 0 HG13 ILE A 83 -3.771 0.277 -2.574 1.00 55.12 H new ATOM 0 HG21 ILE A 83 -6.355 2.769 -1.386 1.00 0.21 H new ATOM 0 HG22 ILE A 83 -5.411 4.205 -1.849 1.00 0.21 H new ATOM 0 HG23 ILE A 83 -6.140 3.175 -3.105 1.00 0.21 H new ATOM 0 HD11 ILE A 83 -5.737 -0.889 -1.741 1.00 64.43 H new ATOM 0 HD12 ILE A 83 -5.051 0.160 -0.478 1.00 64.43 H new ATOM 0 HD13 ILE A 83 -6.515 0.665 -1.355 1.00 64.43 H new ATOM 1384 N LYS A 84 -2.910 5.240 -3.736 1.00 50.11 N ATOM 1385 CA LYS A 84 -2.292 6.577 -3.561 1.00 41.13 C ATOM 1386 C LYS A 84 -3.354 7.688 -3.662 1.00 33.42 C ATOM 1387 O LYS A 84 -4.054 7.808 -4.678 1.00 2.42 O ATOM 1388 CB LYS A 84 -1.150 6.759 -4.618 1.00 63.42 C ATOM 1389 CG LYS A 84 -1.579 6.470 -6.077 1.00 72.43 C ATOM 1390 CD LYS A 84 -0.418 6.413 -7.098 1.00 32.40 C ATOM 1391 CE LYS A 84 0.181 7.779 -7.453 1.00 50.10 C ATOM 1392 NZ LYS A 84 1.081 8.313 -6.390 1.00 12.42 N ATOM 0 H LYS A 84 -3.385 5.125 -4.631 1.00 50.11 H new ATOM 0 HA LYS A 84 -1.854 6.651 -2.565 1.00 41.13 H new ATOM 0 HB2 LYS A 84 -0.775 7.781 -4.558 1.00 63.42 H new ATOM 0 HB3 LYS A 84 -0.322 6.100 -4.358 1.00 63.42 H new ATOM 0 HG2 LYS A 84 -2.113 5.520 -6.102 1.00 72.43 H new ATOM 0 HG3 LYS A 84 -2.284 7.240 -6.392 1.00 72.43 H new ATOM 0 HD2 LYS A 84 0.371 5.777 -6.697 1.00 32.40 H new ATOM 0 HD3 LYS A 84 -0.777 5.939 -8.012 1.00 32.40 H new ATOM 0 HE2 LYS A 84 0.739 7.694 -8.385 1.00 50.10 H new ATOM 0 HE3 LYS A 84 -0.627 8.490 -7.629 1.00 50.10 H new ATOM 0 HZ1 LYS A 84 1.855 8.852 -6.829 1.00 12.42 H new ATOM 0 HZ2 LYS A 84 0.540 8.937 -5.758 1.00 12.42 H new ATOM 0 HZ3 LYS A 84 1.477 7.523 -5.841 1.00 12.42 H new ATOM 1406 N VAL A 85 -3.487 8.470 -2.575 1.00 22.55 N ATOM 1407 CA VAL A 85 -4.374 9.639 -2.516 1.00 5.23 C ATOM 1408 C VAL A 85 -3.609 10.852 -3.049 1.00 74.10 C ATOM 1409 O VAL A 85 -2.598 11.254 -2.456 1.00 0.22 O ATOM 1410 CB VAL A 85 -4.884 9.930 -1.047 1.00 72.41 C ATOM 1411 CG1 VAL A 85 -5.950 11.054 -1.018 1.00 35.44 C ATOM 1412 CG2 VAL A 85 -5.411 8.642 -0.383 1.00 73.40 C ATOM 0 H VAL A 85 -2.976 8.304 -1.708 1.00 22.55 H new ATOM 0 HA VAL A 85 -5.255 9.435 -3.125 1.00 5.23 H new ATOM 0 HB VAL A 85 -4.031 10.284 -0.469 1.00 72.41 H new ATOM 0 HG11 VAL A 85 -6.273 11.222 0.009 1.00 35.44 H new ATOM 0 HG12 VAL A 85 -5.521 11.973 -1.419 1.00 35.44 H new ATOM 0 HG13 VAL A 85 -6.806 10.759 -1.624 1.00 35.44 H new ATOM 0 HG21 VAL A 85 -5.756 8.868 0.626 1.00 73.40 H new ATOM 0 HG22 VAL A 85 -6.239 8.243 -0.969 1.00 73.40 H new ATOM 0 HG23 VAL A 85 -4.611 7.903 -0.336 1.00 73.40 H new ATOM 1422 N ALA A 86 -4.073 11.400 -4.182 1.00 23.45 N ATOM 1423 CA ALA A 86 -3.404 12.510 -4.861 1.00 54.12 C ATOM 1424 C ALA A 86 -4.344 13.173 -5.866 1.00 34.14 C ATOM 1425 O ALA A 86 -5.176 12.500 -6.486 1.00 75.12 O ATOM 1426 CB ALA A 86 -2.136 12.025 -5.551 1.00 32.05 C ATOM 0 H ALA A 86 -4.922 11.083 -4.650 1.00 23.45 H new ATOM 0 HA ALA A 86 -3.127 13.253 -4.113 1.00 54.12 H new ATOM 0 HB1 ALA A 86 -1.651 12.863 -6.051 1.00 32.05 H new ATOM 0 HB2 ALA A 86 -1.457 11.602 -4.810 1.00 32.05 H new ATOM 0 HB3 ALA A 86 -2.391 11.262 -6.286 1.00 32.05 H new ATOM 1432 N GLN A 87 -4.184 14.494 -6.022 1.00 50.30 N ATOM 1433 CA GLN A 87 -5.062 15.347 -6.847 1.00 73.33 C ATOM 1434 C GLN A 87 -4.208 16.368 -7.633 1.00 4.41 C ATOM 1435 O GLN A 87 -3.376 17.054 -7.029 1.00 3.43 O ATOM 1436 CB GLN A 87 -6.073 16.096 -5.932 1.00 43.24 C ATOM 1437 CG GLN A 87 -7.071 15.190 -5.179 1.00 72.51 C ATOM 1438 CD GLN A 87 -7.953 15.931 -4.169 1.00 62.54 C ATOM 1439 OE1 GLN A 87 -8.278 17.106 -4.343 1.00 11.43 O ATOM 1440 NE2 GLN A 87 -8.363 15.240 -3.115 1.00 61.35 N ATOM 0 H GLN A 87 -3.429 15.012 -5.572 1.00 50.30 H new ATOM 0 HA GLN A 87 -5.612 14.724 -7.552 1.00 73.33 H new ATOM 0 HB2 GLN A 87 -5.514 16.680 -5.201 1.00 43.24 H new ATOM 0 HB3 GLN A 87 -6.636 16.803 -6.541 1.00 43.24 H new ATOM 0 HG2 GLN A 87 -7.711 14.691 -5.906 1.00 72.51 H new ATOM 0 HG3 GLN A 87 -6.515 14.412 -4.657 1.00 72.51 H new ATOM 0 HE21 GLN A 87 -8.076 14.268 -2.999 1.00 61.35 H new ATOM 0 HE22 GLN A 87 -8.965 15.680 -2.419 1.00 61.35 H new ATOM 1449 N ASP A 88 -4.410 16.414 -8.966 1.00 10.55 N ATOM 1450 CA ASP A 88 -3.838 17.439 -9.884 1.00 53.43 C ATOM 1451 C ASP A 88 -2.300 17.596 -9.728 1.00 2.13 C ATOM 1452 O ASP A 88 -1.817 18.537 -9.091 1.00 1.41 O ATOM 1453 CB ASP A 88 -4.583 18.803 -9.701 1.00 52.23 C ATOM 1454 CG ASP A 88 -4.182 19.882 -10.728 1.00 75.34 C ATOM 1455 OD1 ASP A 88 -4.736 19.886 -11.854 1.00 73.12 O ATOM 1456 OD2 ASP A 88 -3.313 20.732 -10.419 1.00 51.11 O ATOM 0 H ASP A 88 -4.987 15.727 -9.452 1.00 10.55 H new ATOM 0 HA ASP A 88 -3.997 17.090 -10.904 1.00 53.43 H new ATOM 0 HB2 ASP A 88 -5.657 18.631 -9.772 1.00 52.23 H new ATOM 0 HB3 ASP A 88 -4.386 19.181 -8.698 1.00 52.23 H new ATOM 1461 N GLN A 89 -1.548 16.627 -10.272 1.00 65.54 N ATOM 1462 CA GLN A 89 -0.066 16.632 -10.279 1.00 31.43 C ATOM 1463 C GLN A 89 0.423 15.911 -11.545 1.00 51.40 C ATOM 1464 O GLN A 89 0.100 14.736 -11.757 1.00 14.12 O ATOM 1465 CB GLN A 89 0.530 15.924 -9.027 1.00 52.13 C ATOM 1466 CG GLN A 89 0.325 16.617 -7.668 1.00 75.33 C ATOM 1467 CD GLN A 89 0.904 15.806 -6.510 1.00 3.14 C ATOM 1468 OE1 GLN A 89 2.076 15.958 -6.155 1.00 15.31 O ATOM 1469 NE2 GLN A 89 0.104 14.914 -5.931 1.00 12.30 N ATOM 0 H GLN A 89 -1.950 15.807 -10.726 1.00 65.54 H new ATOM 0 HA GLN A 89 0.268 17.669 -10.262 1.00 31.43 H new ATOM 0 HB2 GLN A 89 0.099 14.925 -8.966 1.00 52.13 H new ATOM 0 HB3 GLN A 89 1.601 15.800 -9.186 1.00 52.13 H new ATOM 0 HG2 GLN A 89 0.794 17.601 -7.690 1.00 75.33 H new ATOM 0 HG3 GLN A 89 -0.740 16.776 -7.501 1.00 75.33 H new ATOM 0 HE21 GLN A 89 -0.860 14.812 -6.248 1.00 12.30 H new ATOM 0 HE22 GLN A 89 0.455 14.332 -5.171 1.00 12.30 H new ATOM 1478 N GLU A 90 1.186 16.622 -12.378 1.00 1.35 N ATOM 1479 CA GLU A 90 1.779 16.068 -13.613 1.00 52.41 C ATOM 1480 C GLU A 90 2.977 15.149 -13.277 1.00 35.41 C ATOM 1481 O GLU A 90 3.212 14.141 -13.955 1.00 64.24 O ATOM 1482 CB GLU A 90 2.206 17.236 -14.523 1.00 30.41 C ATOM 1483 CG GLU A 90 1.046 18.191 -14.891 1.00 34.22 C ATOM 1484 CD GLU A 90 1.536 19.491 -15.547 1.00 54.05 C ATOM 1485 OE1 GLU A 90 1.986 20.395 -14.810 1.00 0.34 O ATOM 1486 OE2 GLU A 90 1.500 19.609 -16.788 1.00 1.34 O ATOM 0 H GLU A 90 1.415 17.603 -12.221 1.00 1.35 H new ATOM 0 HA GLU A 90 1.043 15.458 -14.137 1.00 52.41 H new ATOM 0 HB2 GLU A 90 2.990 17.806 -14.025 1.00 30.41 H new ATOM 0 HB3 GLU A 90 2.638 16.833 -15.439 1.00 30.41 H new ATOM 0 HG2 GLU A 90 0.362 17.681 -15.570 1.00 34.22 H new ATOM 0 HG3 GLU A 90 0.480 18.433 -13.991 1.00 34.22 H new ATOM 1493 N LEU A 91 3.708 15.514 -12.197 1.00 50.10 N ATOM 1494 CA LEU A 91 4.838 14.718 -11.650 1.00 61.43 C ATOM 1495 C LEU A 91 4.339 13.353 -11.141 1.00 72.20 C ATOM 1496 O LEU A 91 5.047 12.341 -11.232 1.00 72.32 O ATOM 1497 CB LEU A 91 5.563 15.486 -10.498 1.00 52.51 C ATOM 1498 CG LEU A 91 6.480 16.693 -10.906 1.00 64.23 C ATOM 1499 CD1 LEU A 91 5.703 17.826 -11.600 1.00 40.31 C ATOM 1500 CD2 LEU A 91 7.253 17.226 -9.678 1.00 70.41 C ATOM 0 H LEU A 91 3.531 16.373 -11.676 1.00 50.10 H new ATOM 0 HA LEU A 91 5.553 14.556 -12.457 1.00 61.43 H new ATOM 0 HB2 LEU A 91 4.804 15.856 -9.809 1.00 52.51 H new ATOM 0 HB3 LEU A 91 6.172 14.770 -9.946 1.00 52.51 H new ATOM 0 HG LEU A 91 7.194 16.315 -11.638 1.00 64.23 H new ATOM 0 HD11 LEU A 91 6.389 18.632 -11.859 1.00 40.31 H new ATOM 0 HD12 LEU A 91 5.234 17.443 -12.507 1.00 40.31 H new ATOM 0 HD13 LEU A 91 4.934 18.206 -10.927 1.00 40.31 H new ATOM 0 HD21 LEU A 91 7.883 18.062 -9.980 1.00 70.41 H new ATOM 0 HD22 LEU A 91 6.545 17.560 -8.920 1.00 70.41 H new ATOM 0 HD23 LEU A 91 7.876 16.432 -9.267 1.00 70.41 H new ATOM 1512 N LEU A 92 3.098 13.359 -10.627 1.00 24.00 N ATOM 1513 CA LEU A 92 2.419 12.166 -10.100 1.00 3.20 C ATOM 1514 C LEU A 92 2.317 11.082 -11.173 1.00 71.32 C ATOM 1515 O LEU A 92 2.611 9.921 -10.919 1.00 75.03 O ATOM 1516 CB LEU A 92 0.988 12.534 -9.663 1.00 65.30 C ATOM 1517 CG LEU A 92 0.196 11.451 -8.877 1.00 41.04 C ATOM 1518 CD1 LEU A 92 0.642 11.430 -7.404 1.00 44.44 C ATOM 1519 CD2 LEU A 92 -1.333 11.653 -9.030 1.00 74.14 C ATOM 0 H LEU A 92 2.531 14.205 -10.566 1.00 24.00 H new ATOM 0 HA LEU A 92 2.999 11.795 -9.255 1.00 3.20 H new ATOM 0 HB2 LEU A 92 1.041 13.431 -9.046 1.00 65.30 H new ATOM 0 HB3 LEU A 92 0.416 12.793 -10.554 1.00 65.30 H new ATOM 0 HG LEU A 92 0.422 10.473 -9.301 1.00 41.04 H new ATOM 0 HD11 LEU A 92 0.080 10.668 -6.865 1.00 44.44 H new ATOM 0 HD12 LEU A 92 1.707 11.203 -7.349 1.00 44.44 H new ATOM 0 HD13 LEU A 92 0.456 12.405 -6.953 1.00 44.44 H new ATOM 0 HD21 LEU A 92 -1.860 10.881 -8.469 1.00 74.14 H new ATOM 0 HD22 LEU A 92 -1.611 12.634 -8.645 1.00 74.14 H new ATOM 0 HD23 LEU A 92 -1.605 11.586 -10.083 1.00 74.14 H new ATOM 1531 N GLU A 93 1.896 11.523 -12.374 1.00 0.33 N ATOM 1532 CA GLU A 93 1.631 10.652 -13.526 1.00 33.50 C ATOM 1533 C GLU A 93 2.918 10.033 -14.077 1.00 21.13 C ATOM 1534 O GLU A 93 2.873 8.975 -14.692 1.00 70.32 O ATOM 1535 CB GLU A 93 0.879 11.452 -14.618 1.00 60.01 C ATOM 1536 CG GLU A 93 -0.506 11.965 -14.177 1.00 42.24 C ATOM 1537 CD GLU A 93 -1.217 12.774 -15.268 1.00 23.31 C ATOM 1538 OE1 GLU A 93 -1.834 12.161 -16.170 1.00 13.14 O ATOM 1539 OE2 GLU A 93 -1.145 14.023 -15.237 1.00 22.40 O ATOM 0 H GLU A 93 1.729 12.510 -12.570 1.00 0.33 H new ATOM 0 HA GLU A 93 1.003 9.824 -13.197 1.00 33.50 H new ATOM 0 HB2 GLU A 93 1.492 12.302 -14.918 1.00 60.01 H new ATOM 0 HB3 GLU A 93 0.758 10.820 -15.498 1.00 60.01 H new ATOM 0 HG2 GLU A 93 -1.130 11.116 -13.896 1.00 42.24 H new ATOM 0 HG3 GLU A 93 -0.392 12.585 -13.288 1.00 42.24 H new ATOM 1546 N ARG A 94 4.061 10.700 -13.844 1.00 45.32 N ATOM 1547 CA ARG A 94 5.382 10.170 -14.225 1.00 51.03 C ATOM 1548 C ARG A 94 5.735 8.934 -13.364 1.00 41.52 C ATOM 1549 O ARG A 94 6.130 7.883 -13.898 1.00 73.42 O ATOM 1550 CB ARG A 94 6.468 11.278 -14.089 1.00 43.21 C ATOM 1551 CG ARG A 94 7.893 10.846 -14.512 1.00 73.02 C ATOM 1552 CD ARG A 94 8.951 11.950 -14.316 1.00 11.33 C ATOM 1553 NE ARG A 94 10.325 11.469 -14.586 1.00 52.55 N ATOM 1554 CZ ARG A 94 11.454 12.013 -14.091 1.00 51.22 C ATOM 1555 NH1 ARG A 94 11.404 13.075 -13.283 1.00 11.13 N ATOM 1556 NH2 ARG A 94 12.632 11.471 -14.387 1.00 0.23 N ATOM 0 H ARG A 94 4.096 11.613 -13.391 1.00 45.32 H new ATOM 0 HA ARG A 94 5.349 9.855 -15.268 1.00 51.03 H new ATOM 0 HB2 ARG A 94 6.170 12.136 -14.692 1.00 43.21 H new ATOM 0 HB3 ARG A 94 6.498 11.612 -13.052 1.00 43.21 H new ATOM 0 HG2 ARG A 94 8.184 9.968 -13.936 1.00 73.02 H new ATOM 0 HG3 ARG A 94 7.878 10.549 -15.561 1.00 73.02 H new ATOM 0 HD2 ARG A 94 8.726 12.787 -14.977 1.00 11.33 H new ATOM 0 HD3 ARG A 94 8.895 12.326 -13.295 1.00 11.33 H new ATOM 0 HE ARG A 94 10.425 10.659 -15.197 1.00 52.55 H new ATOM 0 HH11 ARG A 94 10.504 13.484 -13.034 1.00 11.13 H new ATOM 0 HH12 ARG A 94 12.266 13.477 -12.915 1.00 11.13 H new ATOM 0 HH21 ARG A 94 12.678 10.647 -14.986 1.00 0.23 H new ATOM 0 HH22 ARG A 94 13.489 11.879 -14.015 1.00 0.23 H new ATOM 1570 N PHE A 95 5.567 9.067 -12.029 1.00 13.14 N ATOM 1571 CA PHE A 95 5.804 7.963 -11.071 1.00 53.21 C ATOM 1572 C PHE A 95 4.754 6.854 -11.254 1.00 24.22 C ATOM 1573 O PHE A 95 5.073 5.665 -11.216 1.00 3.33 O ATOM 1574 CB PHE A 95 5.781 8.483 -9.603 1.00 52.24 C ATOM 1575 CG PHE A 95 5.939 7.372 -8.553 1.00 14.21 C ATOM 1576 CD1 PHE A 95 7.157 6.700 -8.411 1.00 42.54 C ATOM 1577 CD2 PHE A 95 4.867 6.974 -7.739 1.00 22.24 C ATOM 1578 CE1 PHE A 95 7.304 5.681 -7.487 1.00 72.12 C ATOM 1579 CE2 PHE A 95 5.022 5.950 -6.818 1.00 13.30 C ATOM 1580 CZ PHE A 95 6.237 5.306 -6.695 1.00 15.02 C ATOM 0 H PHE A 95 5.266 9.936 -11.588 1.00 13.14 H new ATOM 0 HA PHE A 95 6.792 7.550 -11.274 1.00 53.21 H new ATOM 0 HB2 PHE A 95 6.581 9.211 -9.472 1.00 52.24 H new ATOM 0 HB3 PHE A 95 4.841 9.007 -9.427 1.00 52.24 H new ATOM 0 HD1 PHE A 95 7.995 6.981 -9.032 1.00 42.54 H new ATOM 0 HD2 PHE A 95 3.912 7.470 -7.831 1.00 22.24 H new ATOM 0 HE1 PHE A 95 8.254 5.178 -7.385 1.00 72.12 H new ATOM 0 HE2 PHE A 95 4.190 5.655 -6.195 1.00 13.30 H new ATOM 0 HZ PHE A 95 6.353 4.507 -5.978 1.00 15.02 H new ATOM 1590 N TYR A 96 3.505 7.281 -11.451 1.00 62.14 N ATOM 1591 CA TYR A 96 2.347 6.402 -11.632 1.00 60.50 C ATOM 1592 C TYR A 96 2.551 5.466 -12.842 1.00 13.05 C ATOM 1593 O TYR A 96 2.379 4.242 -12.736 1.00 21.42 O ATOM 1594 CB TYR A 96 1.080 7.281 -11.806 1.00 63.00 C ATOM 1595 CG TYR A 96 -0.171 6.523 -12.238 1.00 21.04 C ATOM 1596 CD1 TYR A 96 -0.829 5.687 -11.350 1.00 43.22 C ATOM 1597 CD2 TYR A 96 -0.681 6.637 -13.532 1.00 63.31 C ATOM 1598 CE1 TYR A 96 -1.947 4.989 -11.730 1.00 20.33 C ATOM 1599 CE2 TYR A 96 -1.803 5.940 -13.918 1.00 65.42 C ATOM 1600 CZ TYR A 96 -2.436 5.113 -13.010 1.00 2.41 C ATOM 1601 OH TYR A 96 -3.564 4.411 -13.384 1.00 0.30 O ATOM 0 H TYR A 96 3.265 8.271 -11.490 1.00 62.14 H new ATOM 0 HA TYR A 96 2.226 5.766 -10.755 1.00 60.50 H new ATOM 0 HB2 TYR A 96 0.874 7.787 -10.863 1.00 63.00 H new ATOM 0 HB3 TYR A 96 1.291 8.056 -12.543 1.00 63.00 H new ATOM 0 HD1 TYR A 96 -0.455 5.583 -10.342 1.00 43.22 H new ATOM 0 HD2 TYR A 96 -0.187 7.283 -14.242 1.00 63.31 H new ATOM 0 HE1 TYR A 96 -2.444 4.341 -11.023 1.00 20.33 H new ATOM 0 HE2 TYR A 96 -2.186 6.039 -14.923 1.00 65.42 H new ATOM 0 HH TYR A 96 -3.778 4.610 -14.319 1.00 0.30 H new ATOM 1611 N GLU A 97 2.968 6.079 -13.965 1.00 64.12 N ATOM 1612 CA GLU A 97 3.184 5.398 -15.249 1.00 21.22 C ATOM 1613 C GLU A 97 4.302 4.352 -15.132 1.00 72.31 C ATOM 1614 O GLU A 97 4.275 3.352 -15.829 1.00 61.02 O ATOM 1615 CB GLU A 97 3.546 6.437 -16.343 1.00 71.02 C ATOM 1616 CG GLU A 97 3.733 5.842 -17.758 1.00 2.13 C ATOM 1617 CD GLU A 97 4.620 6.685 -18.677 1.00 72.00 C ATOM 1618 OE1 GLU A 97 5.861 6.581 -18.549 1.00 71.13 O ATOM 1619 OE2 GLU A 97 4.097 7.430 -19.538 1.00 72.13 O ATOM 0 H GLU A 97 3.167 7.079 -14.003 1.00 64.12 H new ATOM 0 HA GLU A 97 2.262 4.887 -15.526 1.00 21.22 H new ATOM 0 HB2 GLU A 97 2.762 7.193 -16.382 1.00 71.02 H new ATOM 0 HB3 GLU A 97 4.465 6.946 -16.053 1.00 71.02 H new ATOM 0 HG2 GLU A 97 4.165 4.845 -17.667 1.00 2.13 H new ATOM 0 HG3 GLU A 97 2.754 5.724 -18.223 1.00 2.13 H new ATOM 1626 N GLN A 98 5.267 4.600 -14.224 1.00 52.24 N ATOM 1627 CA GLN A 98 6.413 3.704 -13.989 1.00 10.01 C ATOM 1628 C GLN A 98 5.960 2.319 -13.476 1.00 23.34 C ATOM 1629 O GLN A 98 6.451 1.286 -13.941 1.00 31.24 O ATOM 1630 CB GLN A 98 7.392 4.361 -12.981 1.00 53.52 C ATOM 1631 CG GLN A 98 8.593 3.484 -12.562 1.00 52.43 C ATOM 1632 CD GLN A 98 9.541 3.144 -13.714 1.00 45.33 C ATOM 1633 OE1 GLN A 98 10.483 3.880 -13.987 1.00 62.22 O ATOM 1634 NE2 GLN A 98 9.303 2.031 -14.398 1.00 20.21 N ATOM 0 H GLN A 98 5.272 5.431 -13.632 1.00 52.24 H new ATOM 0 HA GLN A 98 6.922 3.548 -14.940 1.00 10.01 H new ATOM 0 HB2 GLN A 98 7.772 5.284 -13.418 1.00 53.52 H new ATOM 0 HB3 GLN A 98 6.835 4.637 -12.086 1.00 53.52 H new ATOM 0 HG2 GLN A 98 9.154 4.000 -11.783 1.00 52.43 H new ATOM 0 HG3 GLN A 98 8.220 2.558 -12.125 1.00 52.43 H new ATOM 0 HE21 GLN A 98 8.512 1.438 -14.148 1.00 20.21 H new ATOM 0 HE22 GLN A 98 9.912 1.769 -15.173 1.00 20.21 H new ATOM 1643 N LEU A 99 5.022 2.308 -12.517 1.00 53.41 N ATOM 1644 CA LEU A 99 4.497 1.056 -11.930 1.00 34.24 C ATOM 1645 C LEU A 99 3.532 0.370 -12.910 1.00 31.32 C ATOM 1646 O LEU A 99 3.385 -0.848 -12.896 1.00 41.11 O ATOM 1647 CB LEU A 99 3.825 1.308 -10.547 1.00 11.12 C ATOM 1648 CG LEU A 99 4.792 1.666 -9.362 1.00 74.33 C ATOM 1649 CD1 LEU A 99 5.477 3.028 -9.563 1.00 53.00 C ATOM 1650 CD2 LEU A 99 4.053 1.620 -8.011 1.00 14.22 C ATOM 0 H LEU A 99 4.607 3.154 -12.127 1.00 53.41 H new ATOM 0 HA LEU A 99 5.338 0.385 -11.755 1.00 34.24 H new ATOM 0 HB2 LEU A 99 3.105 2.119 -10.658 1.00 11.12 H new ATOM 0 HB3 LEU A 99 3.261 0.416 -10.272 1.00 11.12 H new ATOM 0 HG LEU A 99 5.576 0.909 -9.352 1.00 74.33 H new ATOM 0 HD11 LEU A 99 6.136 3.232 -8.719 1.00 53.00 H new ATOM 0 HD12 LEU A 99 6.061 3.009 -10.483 1.00 53.00 H new ATOM 0 HD13 LEU A 99 4.720 3.810 -9.630 1.00 53.00 H new ATOM 0 HD21 LEU A 99 4.746 1.872 -7.208 1.00 14.22 H new ATOM 0 HD22 LEU A 99 3.233 2.338 -8.020 1.00 14.22 H new ATOM 0 HD23 LEU A 99 3.657 0.618 -7.847 1.00 14.22 H new ATOM 1662 N LYS A 100 2.871 1.181 -13.744 1.00 20.31 N ATOM 1663 CA LYS A 100 2.008 0.699 -14.835 1.00 2.32 C ATOM 1664 C LYS A 100 2.849 0.161 -16.020 1.00 14.21 C ATOM 1665 O LYS A 100 2.389 -0.698 -16.780 1.00 74.21 O ATOM 1666 CB LYS A 100 1.062 1.837 -15.287 1.00 70.32 C ATOM 1667 CG LYS A 100 0.140 2.431 -14.176 1.00 3.41 C ATOM 1668 CD LYS A 100 -1.185 1.641 -13.879 1.00 44.34 C ATOM 1669 CE LYS A 100 -1.059 0.445 -12.895 1.00 2.32 C ATOM 1670 NZ LYS A 100 -0.574 -0.816 -13.522 1.00 4.21 N ATOM 0 H LYS A 100 2.919 2.198 -13.683 1.00 20.31 H new ATOM 0 HA LYS A 100 1.407 -0.133 -14.468 1.00 2.32 H new ATOM 0 HB2 LYS A 100 1.666 2.644 -15.702 1.00 70.32 H new ATOM 0 HB3 LYS A 100 0.433 1.462 -16.094 1.00 70.32 H new ATOM 0 HG2 LYS A 100 0.715 2.496 -13.252 1.00 3.41 H new ATOM 0 HG3 LYS A 100 -0.125 3.450 -14.459 1.00 3.41 H new ATOM 0 HD2 LYS A 100 -1.919 2.340 -13.478 1.00 44.34 H new ATOM 0 HD3 LYS A 100 -1.582 1.269 -14.823 1.00 44.34 H new ATOM 0 HE2 LYS A 100 -0.378 0.722 -12.090 1.00 2.32 H new ATOM 0 HE3 LYS A 100 -2.032 0.260 -12.440 1.00 2.32 H new ATOM 0 HZ1 LYS A 100 -1.276 -1.569 -13.375 1.00 4.21 H new ATOM 0 HZ2 LYS A 100 -0.436 -0.666 -14.542 1.00 4.21 H new ATOM 0 HZ3 LYS A 100 0.329 -1.094 -13.088 1.00 4.21 H new ATOM 1684 N LYS A 101 4.075 0.699 -16.161 1.00 42.25 N ATOM 1685 CA LYS A 101 5.072 0.292 -17.181 1.00 21.11 C ATOM 1686 C LYS A 101 5.632 -1.089 -16.819 1.00 53.22 C ATOM 1687 O LYS A 101 5.822 -1.964 -17.677 1.00 62.11 O ATOM 1688 CB LYS A 101 6.219 1.347 -17.213 1.00 13.13 C ATOM 1689 CG LYS A 101 7.271 1.173 -18.325 1.00 62.45 C ATOM 1690 CD LYS A 101 8.452 2.172 -18.185 1.00 72.15 C ATOM 1691 CE LYS A 101 8.012 3.651 -18.117 1.00 14.45 C ATOM 1692 NZ LYS A 101 7.191 4.063 -19.291 1.00 51.23 N ATOM 0 H LYS A 101 4.412 1.448 -15.556 1.00 42.25 H new ATOM 0 HA LYS A 101 4.605 0.237 -18.164 1.00 21.11 H new ATOM 0 HB2 LYS A 101 5.772 2.336 -17.315 1.00 13.13 H new ATOM 0 HB3 LYS A 101 6.731 1.326 -16.251 1.00 13.13 H new ATOM 0 HG2 LYS A 101 7.656 0.154 -18.301 1.00 62.45 H new ATOM 0 HG3 LYS A 101 6.795 1.311 -19.296 1.00 62.45 H new ATOM 0 HD2 LYS A 101 9.017 1.929 -17.285 1.00 72.15 H new ATOM 0 HD3 LYS A 101 9.128 2.042 -19.030 1.00 72.15 H new ATOM 0 HE2 LYS A 101 7.439 3.814 -17.204 1.00 14.45 H new ATOM 0 HE3 LYS A 101 8.896 4.286 -18.056 1.00 14.45 H new ATOM 0 HZ1 LYS A 101 6.839 5.031 -19.146 1.00 51.23 H new ATOM 0 HZ2 LYS A 101 7.775 4.033 -20.151 1.00 51.23 H new ATOM 0 HZ3 LYS A 101 6.386 3.414 -19.396 1.00 51.23 H new ATOM 1706 N ASP A 102 5.887 -1.238 -15.516 1.00 63.41 N ATOM 1707 CA ASP A 102 6.345 -2.479 -14.891 1.00 73.13 C ATOM 1708 C ASP A 102 5.235 -3.551 -14.980 1.00 43.31 C ATOM 1709 O ASP A 102 5.370 -4.553 -15.689 1.00 10.43 O ATOM 1710 CB ASP A 102 6.734 -2.163 -13.413 1.00 24.12 C ATOM 1711 CG ASP A 102 7.036 -3.411 -12.560 1.00 40.14 C ATOM 1712 OD1 ASP A 102 6.079 -4.048 -12.083 1.00 51.14 O ATOM 1713 OD2 ASP A 102 8.223 -3.753 -12.362 1.00 41.43 O ATOM 0 H ASP A 102 5.777 -0.475 -14.848 1.00 63.41 H new ATOM 0 HA ASP A 102 7.218 -2.878 -15.407 1.00 73.13 H new ATOM 0 HB2 ASP A 102 7.610 -1.514 -13.410 1.00 24.12 H new ATOM 0 HB3 ASP A 102 5.922 -1.605 -12.946 1.00 24.12 H new ATOM 1718 N GLY A 103 4.137 -3.298 -14.263 1.00 21.41 N ATOM 1719 CA GLY A 103 3.027 -4.234 -14.154 1.00 72.32 C ATOM 1720 C GLY A 103 2.287 -4.087 -12.835 1.00 25.22 C ATOM 1721 O GLY A 103 1.112 -4.473 -12.753 1.00 2.32 O ATOM 0 H GLY A 103 3.997 -2.433 -13.741 1.00 21.41 H new ATOM 0 HA2 GLY A 103 2.333 -4.072 -14.979 1.00 72.32 H new ATOM 0 HA3 GLY A 103 3.401 -5.253 -14.248 1.00 72.32 H new ATOM 1725 N VAL A 104 2.978 -3.527 -11.795 1.00 22.31 N ATOM 1726 CA VAL A 104 2.394 -3.263 -10.458 1.00 13.51 C ATOM 1727 C VAL A 104 1.062 -2.507 -10.582 1.00 44.40 C ATOM 1728 O VAL A 104 1.012 -1.418 -11.180 1.00 22.45 O ATOM 1729 CB VAL A 104 3.368 -2.437 -9.519 1.00 64.32 C ATOM 1730 CG1 VAL A 104 2.696 -2.043 -8.173 1.00 71.41 C ATOM 1731 CG2 VAL A 104 4.664 -3.216 -9.250 1.00 2.44 C ATOM 0 H VAL A 104 3.956 -3.249 -11.869 1.00 22.31 H new ATOM 0 HA VAL A 104 2.229 -4.239 -10.002 1.00 13.51 H new ATOM 0 HB VAL A 104 3.609 -1.517 -10.051 1.00 64.32 H new ATOM 0 HG11 VAL A 104 3.403 -1.479 -7.565 1.00 71.41 H new ATOM 0 HG12 VAL A 104 1.817 -1.429 -8.371 1.00 71.41 H new ATOM 0 HG13 VAL A 104 2.396 -2.944 -7.639 1.00 71.41 H new ATOM 0 HG21 VAL A 104 5.315 -2.627 -8.603 1.00 2.44 H new ATOM 0 HG22 VAL A 104 4.426 -4.161 -8.762 1.00 2.44 H new ATOM 0 HG23 VAL A 104 5.172 -3.413 -10.194 1.00 2.44 H new ATOM 1741 N ASP A 105 -0.013 -3.106 -10.048 1.00 21.40 N ATOM 1742 CA ASP A 105 -1.354 -2.514 -10.094 1.00 23.41 C ATOM 1743 C ASP A 105 -1.414 -1.311 -9.140 1.00 44.32 C ATOM 1744 O ASP A 105 -0.808 -1.335 -8.058 1.00 34.54 O ATOM 1745 CB ASP A 105 -2.437 -3.565 -9.725 1.00 64.41 C ATOM 1746 CG ASP A 105 -3.874 -3.178 -10.139 1.00 43.23 C ATOM 1747 OD1 ASP A 105 -4.051 -2.339 -11.051 1.00 21.35 O ATOM 1748 OD2 ASP A 105 -4.840 -3.748 -9.580 1.00 63.33 O ATOM 0 H ASP A 105 0.024 -4.009 -9.575 1.00 21.40 H new ATOM 0 HA ASP A 105 -1.557 -2.175 -11.110 1.00 23.41 H new ATOM 0 HB2 ASP A 105 -2.180 -4.514 -10.196 1.00 64.41 H new ATOM 0 HB3 ASP A 105 -2.415 -3.728 -8.647 1.00 64.41 H new ATOM 1753 N VAL A 106 -2.131 -0.262 -9.543 1.00 31.32 N ATOM 1754 CA VAL A 106 -2.220 0.990 -8.785 1.00 4.20 C ATOM 1755 C VAL A 106 -3.680 1.434 -8.713 1.00 13.31 C ATOM 1756 O VAL A 106 -4.338 1.551 -9.750 1.00 10.31 O ATOM 1757 CB VAL A 106 -1.382 2.160 -9.438 1.00 34.21 C ATOM 1758 CG1 VAL A 106 -1.457 3.436 -8.576 1.00 65.34 C ATOM 1759 CG2 VAL A 106 0.091 1.765 -9.704 1.00 73.13 C ATOM 0 H VAL A 106 -2.670 -0.255 -10.409 1.00 31.32 H new ATOM 0 HA VAL A 106 -1.811 0.791 -7.794 1.00 4.20 H new ATOM 0 HB VAL A 106 -1.834 2.364 -10.409 1.00 34.21 H new ATOM 0 HG11 VAL A 106 -0.873 4.227 -9.046 1.00 65.34 H new ATOM 0 HG12 VAL A 106 -2.495 3.755 -8.488 1.00 65.34 H new ATOM 0 HG13 VAL A 106 -1.056 3.229 -7.584 1.00 65.34 H new ATOM 0 HG21 VAL A 106 0.618 2.607 -10.153 1.00 73.13 H new ATOM 0 HG22 VAL A 106 0.571 1.496 -8.763 1.00 73.13 H new ATOM 0 HG23 VAL A 106 0.122 0.913 -10.384 1.00 73.13 H new ATOM 1769 N ARG A 107 -4.190 1.681 -7.499 1.00 45.12 N ATOM 1770 CA ARG A 107 -5.467 2.372 -7.312 1.00 22.35 C ATOM 1771 C ARG A 107 -5.192 3.846 -6.997 1.00 32.42 C ATOM 1772 O ARG A 107 -4.713 4.175 -5.906 1.00 45.32 O ATOM 1773 CB ARG A 107 -6.307 1.713 -6.182 1.00 22.54 C ATOM 1774 CG ARG A 107 -6.755 0.257 -6.448 1.00 55.01 C ATOM 1775 CD ARG A 107 -7.740 0.097 -7.636 1.00 73.45 C ATOM 1776 NE ARG A 107 -7.099 0.305 -8.959 1.00 60.33 N ATOM 1777 CZ ARG A 107 -6.778 -0.660 -9.840 1.00 32.22 C ATOM 1778 NH1 ARG A 107 -7.043 -1.939 -9.586 1.00 42.42 N ATOM 1779 NH2 ARG A 107 -6.171 -0.337 -10.968 1.00 60.32 N ATOM 0 H ARG A 107 -3.732 1.410 -6.629 1.00 45.12 H new ATOM 0 HA ARG A 107 -6.050 2.297 -8.230 1.00 22.35 H new ATOM 0 HB2 ARG A 107 -5.724 1.733 -5.261 1.00 22.54 H new ATOM 0 HB3 ARG A 107 -7.194 2.322 -6.011 1.00 22.54 H new ATOM 0 HG2 ARG A 107 -5.872 -0.353 -6.639 1.00 55.01 H new ATOM 0 HG3 ARG A 107 -7.225 -0.136 -5.547 1.00 55.01 H new ATOM 0 HD2 ARG A 107 -8.178 -0.901 -7.605 1.00 73.45 H new ATOM 0 HD3 ARG A 107 -8.558 0.808 -7.520 1.00 73.45 H new ATOM 0 HE ARG A 107 -6.882 1.266 -9.224 1.00 60.33 H new ATOM 0 HH11 ARG A 107 -7.497 -2.202 -8.711 1.00 42.42 H new ATOM 0 HH12 ARG A 107 -6.792 -2.657 -10.266 1.00 42.42 H new ATOM 0 HH21 ARG A 107 -5.949 0.639 -11.166 1.00 60.32 H new ATOM 0 HH22 ARG A 107 -5.925 -1.063 -11.641 1.00 60.32 H new ATOM 1793 N VAL A 108 -5.477 4.728 -7.968 1.00 63.14 N ATOM 1794 CA VAL A 108 -5.474 6.177 -7.745 1.00 32.25 C ATOM 1795 C VAL A 108 -6.833 6.585 -7.165 1.00 44.41 C ATOM 1796 O VAL A 108 -7.885 6.350 -7.772 1.00 31.45 O ATOM 1797 CB VAL A 108 -5.148 7.012 -9.047 1.00 65.14 C ATOM 1798 CG1 VAL A 108 -3.640 6.971 -9.358 1.00 42.12 C ATOM 1799 CG2 VAL A 108 -5.980 6.532 -10.267 1.00 11.32 C ATOM 0 H VAL A 108 -5.714 4.456 -8.922 1.00 63.14 H new ATOM 0 HA VAL A 108 -4.672 6.405 -7.043 1.00 32.25 H new ATOM 0 HB VAL A 108 -5.432 8.046 -8.851 1.00 65.14 H new ATOM 0 HG11 VAL A 108 -3.438 7.552 -10.258 1.00 42.12 H new ATOM 0 HG12 VAL A 108 -3.084 7.394 -8.521 1.00 42.12 H new ATOM 0 HG13 VAL A 108 -3.329 5.938 -9.516 1.00 42.12 H new ATOM 0 HG21 VAL A 108 -5.725 7.132 -11.140 1.00 11.32 H new ATOM 0 HG22 VAL A 108 -5.758 5.484 -10.470 1.00 11.32 H new ATOM 0 HG23 VAL A 108 -7.042 6.642 -10.049 1.00 11.32 H new ATOM 1809 N THR A 109 -6.794 7.143 -5.962 1.00 14.33 N ATOM 1810 CA THR A 109 -7.979 7.568 -5.227 1.00 52.01 C ATOM 1811 C THR A 109 -7.885 9.079 -4.982 1.00 25.42 C ATOM 1812 O THR A 109 -7.209 9.545 -4.059 1.00 50.23 O ATOM 1813 CB THR A 109 -8.150 6.740 -3.903 1.00 70.45 C ATOM 1814 OG1 THR A 109 -9.139 7.341 -3.058 1.00 54.42 O ATOM 1815 CG2 THR A 109 -6.832 6.558 -3.129 1.00 3.11 C ATOM 0 H THR A 109 -5.923 7.316 -5.461 1.00 14.33 H new ATOM 0 HA THR A 109 -8.878 7.372 -5.812 1.00 52.01 H new ATOM 0 HB THR A 109 -8.480 5.745 -4.203 1.00 70.45 H new ATOM 0 HG1 THR A 109 -8.763 8.139 -2.631 1.00 54.42 H new ATOM 0 HG21 THR A 109 -7.018 5.978 -2.225 1.00 3.11 H new ATOM 0 HG22 THR A 109 -6.112 6.032 -3.756 1.00 3.11 H new ATOM 0 HG23 THR A 109 -6.432 7.535 -2.857 1.00 3.11 H new ATOM 1823 N ASP A 110 -8.565 9.841 -5.855 1.00 23.13 N ATOM 1824 CA ASP A 110 -8.509 11.316 -5.876 1.00 23.15 C ATOM 1825 C ASP A 110 -9.371 11.945 -4.757 1.00 11.00 C ATOM 1826 O ASP A 110 -9.548 13.163 -4.712 1.00 32.23 O ATOM 1827 CB ASP A 110 -8.936 11.839 -7.277 1.00 11.23 C ATOM 1828 CG ASP A 110 -10.409 11.541 -7.624 1.00 73.51 C ATOM 1829 OD1 ASP A 110 -10.749 10.352 -7.824 1.00 62.24 O ATOM 1830 OD2 ASP A 110 -11.225 12.485 -7.719 1.00 34.41 O ATOM 0 H ASP A 110 -9.175 9.449 -6.573 1.00 23.13 H new ATOM 0 HA ASP A 110 -7.480 11.619 -5.683 1.00 23.15 H new ATOM 0 HB2 ASP A 110 -8.772 12.916 -7.319 1.00 11.23 H new ATOM 0 HB3 ASP A 110 -8.295 11.389 -8.035 1.00 11.23 H new ATOM 1835 N ASN A 111 -9.911 11.106 -3.862 1.00 10.40 N ATOM 1836 CA ASN A 111 -10.638 11.547 -2.662 1.00 3.03 C ATOM 1837 C ASN A 111 -10.109 10.808 -1.430 1.00 61.32 C ATOM 1838 O ASN A 111 -9.627 9.671 -1.521 1.00 54.34 O ATOM 1839 CB ASN A 111 -12.165 11.319 -2.815 1.00 41.32 C ATOM 1840 CG ASN A 111 -12.808 12.207 -3.877 1.00 2.43 C ATOM 1841 OD1 ASN A 111 -12.898 11.841 -5.046 1.00 74.34 O ATOM 1842 ND2 ASN A 111 -13.269 13.385 -3.476 1.00 41.23 N ATOM 0 H ASN A 111 -9.855 10.091 -3.951 1.00 10.40 H new ATOM 0 HA ASN A 111 -10.472 12.617 -2.536 1.00 3.03 H new ATOM 0 HB2 ASN A 111 -12.345 10.274 -3.068 1.00 41.32 H new ATOM 0 HB3 ASN A 111 -12.650 11.503 -1.856 1.00 41.32 H new ATOM 0 HD21 ASN A 111 -13.712 14.014 -4.146 1.00 41.23 H new ATOM 0 HD22 ASN A 111 -13.180 13.662 -2.498 1.00 41.23 H new ATOM 1849 N GLU A 112 -10.239 11.477 -0.282 1.00 13.11 N ATOM 1850 CA GLU A 112 -9.780 10.987 1.031 1.00 73.00 C ATOM 1851 C GLU A 112 -10.714 9.866 1.523 1.00 75.31 C ATOM 1852 O GLU A 112 -10.271 8.840 2.057 1.00 32.21 O ATOM 1853 CB GLU A 112 -9.781 12.178 2.034 1.00 52.41 C ATOM 1854 CG GLU A 112 -9.048 13.433 1.516 1.00 73.31 C ATOM 1855 CD GLU A 112 -9.246 14.664 2.414 1.00 43.43 C ATOM 1856 OE1 GLU A 112 -10.279 15.357 2.261 1.00 61.13 O ATOM 1857 OE2 GLU A 112 -8.385 14.950 3.270 1.00 21.25 O ATOM 0 H GLU A 112 -10.676 12.397 -0.233 1.00 13.11 H new ATOM 0 HA GLU A 112 -8.771 10.582 0.950 1.00 73.00 H new ATOM 0 HB2 GLU A 112 -10.812 12.442 2.268 1.00 52.41 H new ATOM 0 HB3 GLU A 112 -9.315 11.856 2.966 1.00 52.41 H new ATOM 0 HG2 GLU A 112 -7.983 13.217 1.437 1.00 73.31 H new ATOM 0 HG3 GLU A 112 -9.402 13.664 0.511 1.00 73.31 H new ATOM 1864 N ASP A 113 -12.026 10.109 1.325 1.00 2.41 N ATOM 1865 CA ASP A 113 -13.109 9.189 1.724 1.00 70.21 C ATOM 1866 C ASP A 113 -13.211 7.989 0.755 1.00 64.34 C ATOM 1867 O ASP A 113 -13.621 6.896 1.163 1.00 12.21 O ATOM 1868 CB ASP A 113 -14.461 9.954 1.823 1.00 74.15 C ATOM 1869 CG ASP A 113 -15.541 9.159 2.582 1.00 43.41 C ATOM 1870 OD1 ASP A 113 -15.444 9.070 3.825 1.00 32.42 O ATOM 1871 OD2 ASP A 113 -16.476 8.606 1.954 1.00 11.41 O ATOM 0 H ASP A 113 -12.366 10.960 0.878 1.00 2.41 H new ATOM 0 HA ASP A 113 -12.872 8.789 2.710 1.00 70.21 H new ATOM 0 HB2 ASP A 113 -14.298 10.908 2.325 1.00 74.15 H new ATOM 0 HB3 ASP A 113 -14.820 10.180 0.819 1.00 74.15 H new ATOM 1876 N GLU A 114 -12.849 8.210 -0.533 1.00 54.22 N ATOM 1877 CA GLU A 114 -12.763 7.121 -1.539 1.00 72.44 C ATOM 1878 C GLU A 114 -11.663 6.116 -1.147 1.00 20.22 C ATOM 1879 O GLU A 114 -11.808 4.911 -1.350 1.00 13.03 O ATOM 1880 CB GLU A 114 -12.525 7.688 -2.968 1.00 32.11 C ATOM 1881 CG GLU A 114 -12.323 6.633 -4.093 1.00 25.44 C ATOM 1882 CD GLU A 114 -13.449 5.579 -4.195 1.00 1.33 C ATOM 1883 OE1 GLU A 114 -14.612 5.952 -4.466 1.00 41.13 O ATOM 1884 OE2 GLU A 114 -13.177 4.363 -4.033 1.00 62.53 O ATOM 0 H GLU A 114 -12.612 9.132 -0.900 1.00 54.22 H new ATOM 0 HA GLU A 114 -13.718 6.595 -1.555 1.00 72.44 H new ATOM 0 HB2 GLU A 114 -13.375 8.317 -3.235 1.00 32.11 H new ATOM 0 HB3 GLU A 114 -11.647 8.334 -2.940 1.00 32.11 H new ATOM 0 HG2 GLU A 114 -12.240 7.151 -5.048 1.00 25.44 H new ATOM 0 HG3 GLU A 114 -11.376 6.119 -3.926 1.00 25.44 H new ATOM 1891 N ALA A 115 -10.586 6.631 -0.549 1.00 11.42 N ATOM 1892 CA ALA A 115 -9.467 5.809 -0.072 1.00 12.00 C ATOM 1893 C ALA A 115 -9.897 4.906 1.102 1.00 32.21 C ATOM 1894 O ALA A 115 -9.488 3.747 1.181 1.00 71.34 O ATOM 1895 CB ALA A 115 -8.313 6.718 0.318 1.00 44.12 C ATOM 0 H ALA A 115 -10.463 7.630 -0.381 1.00 11.42 H new ATOM 0 HA ALA A 115 -9.141 5.147 -0.874 1.00 12.00 H new ATOM 0 HB1 ALA A 115 -7.478 6.114 0.673 1.00 44.12 H new ATOM 0 HB2 ALA A 115 -7.998 7.298 -0.549 1.00 44.12 H new ATOM 0 HB3 ALA A 115 -8.634 7.395 1.110 1.00 44.12 H new ATOM 1901 N LYS A 116 -10.755 5.459 1.983 1.00 55.45 N ATOM 1902 CA LYS A 116 -11.345 4.748 3.133 1.00 20.01 C ATOM 1903 C LYS A 116 -12.136 3.495 2.684 1.00 72.13 C ATOM 1904 O LYS A 116 -11.859 2.370 3.131 1.00 40.53 O ATOM 1905 CB LYS A 116 -12.270 5.756 3.878 1.00 24.45 C ATOM 1906 CG LYS A 116 -13.341 5.147 4.808 1.00 62.42 C ATOM 1907 CD LYS A 116 -14.338 6.200 5.328 1.00 51.24 C ATOM 1908 CE LYS A 116 -13.688 7.286 6.197 1.00 5.01 C ATOM 1909 NZ LYS A 116 -14.687 8.286 6.668 1.00 43.33 N ATOM 0 H LYS A 116 -11.062 6.429 1.913 1.00 55.45 H new ATOM 0 HA LYS A 116 -10.556 4.390 3.795 1.00 20.01 H new ATOM 0 HB2 LYS A 116 -11.642 6.422 4.470 1.00 24.45 H new ATOM 0 HB3 LYS A 116 -12.774 6.372 3.133 1.00 24.45 H new ATOM 0 HG2 LYS A 116 -13.885 4.370 4.271 1.00 62.42 H new ATOM 0 HG3 LYS A 116 -12.851 4.666 5.655 1.00 62.42 H new ATOM 0 HD2 LYS A 116 -14.830 6.673 4.478 1.00 51.24 H new ATOM 0 HD3 LYS A 116 -15.114 5.699 5.907 1.00 51.24 H new ATOM 0 HE2 LYS A 116 -13.204 6.823 7.057 1.00 5.01 H new ATOM 0 HE3 LYS A 116 -12.909 7.791 5.626 1.00 5.01 H new ATOM 0 HZ1 LYS A 116 -14.211 9.003 7.252 1.00 43.33 H new ATOM 0 HZ2 LYS A 116 -15.131 8.746 5.848 1.00 43.33 H new ATOM 0 HZ3 LYS A 116 -15.417 7.808 7.234 1.00 43.33 H new ATOM 1923 N LYS A 117 -13.095 3.713 1.769 1.00 72.22 N ATOM 1924 CA LYS A 117 -13.984 2.649 1.257 1.00 2.24 C ATOM 1925 C LYS A 117 -13.213 1.645 0.376 1.00 50.23 C ATOM 1926 O LYS A 117 -13.575 0.469 0.329 1.00 61.13 O ATOM 1927 CB LYS A 117 -15.195 3.264 0.498 1.00 52.33 C ATOM 1928 CG LYS A 117 -14.824 4.259 -0.611 1.00 72.40 C ATOM 1929 CD LYS A 117 -16.037 4.886 -1.335 1.00 12.30 C ATOM 1930 CE LYS A 117 -16.783 3.890 -2.232 1.00 50.22 C ATOM 1931 NZ LYS A 117 -15.910 3.354 -3.314 1.00 5.23 N ATOM 0 H LYS A 117 -13.278 4.630 1.362 1.00 72.22 H new ATOM 0 HA LYS A 117 -14.371 2.093 2.111 1.00 2.24 H new ATOM 0 HB2 LYS A 117 -15.780 2.455 0.060 1.00 52.33 H new ATOM 0 HB3 LYS A 117 -15.839 3.769 1.218 1.00 52.33 H new ATOM 0 HG2 LYS A 117 -14.221 5.058 -0.179 1.00 72.40 H new ATOM 0 HG3 LYS A 117 -14.200 3.750 -1.346 1.00 72.40 H new ATOM 0 HD2 LYS A 117 -16.728 5.286 -0.593 1.00 12.30 H new ATOM 0 HD3 LYS A 117 -15.697 5.727 -1.940 1.00 12.30 H new ATOM 0 HE2 LYS A 117 -17.157 3.065 -1.626 1.00 50.22 H new ATOM 0 HE3 LYS A 117 -17.651 4.379 -2.675 1.00 50.22 H new ATOM 0 HZ1 LYS A 117 -16.327 3.579 -4.240 1.00 5.23 H new ATOM 0 HZ2 LYS A 117 -14.966 3.786 -3.245 1.00 5.23 H new ATOM 0 HZ3 LYS A 117 -15.827 2.322 -3.214 1.00 5.23 H new ATOM 1945 N ARG A 118 -12.158 2.134 -0.319 1.00 34.23 N ATOM 1946 CA ARG A 118 -11.284 1.322 -1.200 1.00 10.30 C ATOM 1947 C ARG A 118 -10.527 0.247 -0.390 1.00 0.34 C ATOM 1948 O ARG A 118 -10.363 -0.890 -0.844 1.00 23.32 O ATOM 1949 CB ARG A 118 -10.264 2.247 -1.927 1.00 2.34 C ATOM 1950 CG ARG A 118 -9.418 1.576 -3.033 1.00 61.53 C ATOM 1951 CD ARG A 118 -10.263 1.123 -4.238 1.00 14.34 C ATOM 1952 NE ARG A 118 -10.986 2.255 -4.863 1.00 2.10 N ATOM 1953 CZ ARG A 118 -11.363 2.327 -6.154 1.00 44.32 C ATOM 1954 NH1 ARG A 118 -11.105 1.330 -7.001 1.00 21.11 N ATOM 1955 NH2 ARG A 118 -12.031 3.389 -6.579 1.00 31.30 N ATOM 0 H ARG A 118 -11.886 3.117 -0.283 1.00 34.23 H new ATOM 0 HA ARG A 118 -11.912 0.819 -1.936 1.00 10.30 H new ATOM 0 HB2 ARG A 118 -10.809 3.081 -2.368 1.00 2.34 H new ATOM 0 HB3 ARG A 118 -9.588 2.667 -1.182 1.00 2.34 H new ATOM 0 HG2 ARG A 118 -8.653 2.274 -3.373 1.00 61.53 H new ATOM 0 HG3 ARG A 118 -8.899 0.714 -2.614 1.00 61.53 H new ATOM 0 HD2 ARG A 118 -9.616 0.652 -4.978 1.00 14.34 H new ATOM 0 HD3 ARG A 118 -10.980 0.368 -3.915 1.00 14.34 H new ATOM 0 HE ARG A 118 -11.218 3.048 -4.264 1.00 2.10 H new ATOM 0 HH11 ARG A 118 -10.615 0.497 -6.674 1.00 21.11 H new ATOM 0 HH12 ARG A 118 -11.397 1.400 -7.976 1.00 21.11 H new ATOM 0 HH21 ARG A 118 -12.256 4.143 -5.930 1.00 31.30 H new ATOM 0 HH22 ARG A 118 -12.321 3.452 -7.555 1.00 31.30 H new ATOM 1969 N LEU A 119 -10.074 0.640 0.816 1.00 51.44 N ATOM 1970 CA LEU A 119 -9.331 -0.242 1.731 1.00 24.52 C ATOM 1971 C LEU A 119 -10.224 -1.374 2.248 1.00 65.02 C ATOM 1972 O LEU A 119 -9.892 -2.556 2.091 1.00 24.03 O ATOM 1973 CB LEU A 119 -8.757 0.593 2.906 1.00 21.51 C ATOM 1974 CG LEU A 119 -7.589 1.539 2.515 1.00 61.31 C ATOM 1975 CD1 LEU A 119 -7.186 2.452 3.684 1.00 21.44 C ATOM 1976 CD2 LEU A 119 -6.391 0.724 1.996 1.00 14.31 C ATOM 0 H LEU A 119 -10.215 1.581 1.182 1.00 51.44 H new ATOM 0 HA LEU A 119 -8.505 -0.700 1.187 1.00 24.52 H new ATOM 0 HB2 LEU A 119 -9.561 1.189 3.338 1.00 21.51 H new ATOM 0 HB3 LEU A 119 -8.411 -0.088 3.684 1.00 21.51 H new ATOM 0 HG LEU A 119 -7.933 2.188 1.710 1.00 61.31 H new ATOM 0 HD11 LEU A 119 -6.366 3.100 3.374 1.00 21.44 H new ATOM 0 HD12 LEU A 119 -8.039 3.063 3.980 1.00 21.44 H new ATOM 0 HD13 LEU A 119 -6.866 1.842 4.529 1.00 21.44 H new ATOM 0 HD21 LEU A 119 -5.580 1.401 1.726 1.00 14.31 H new ATOM 0 HD22 LEU A 119 -6.050 0.042 2.775 1.00 14.31 H new ATOM 0 HD23 LEU A 119 -6.693 0.151 1.119 1.00 14.31 H new ATOM 1988 N LYS A 120 -11.382 -0.992 2.813 1.00 2.05 N ATOM 1989 CA LYS A 120 -12.360 -1.950 3.357 1.00 40.33 C ATOM 1990 C LYS A 120 -12.861 -2.904 2.252 1.00 14.22 C ATOM 1991 O LYS A 120 -13.026 -4.098 2.490 1.00 31.22 O ATOM 1992 CB LYS A 120 -13.547 -1.194 4.008 1.00 21.01 C ATOM 1993 CG LYS A 120 -14.592 -2.113 4.689 1.00 45.32 C ATOM 1994 CD LYS A 120 -15.818 -1.334 5.225 1.00 34.54 C ATOM 1995 CE LYS A 120 -16.586 -0.603 4.113 1.00 52.34 C ATOM 1996 NZ LYS A 120 -17.698 0.230 4.649 1.00 41.30 N ATOM 0 H LYS A 120 -11.665 -0.017 2.905 1.00 2.05 H new ATOM 0 HA LYS A 120 -11.869 -2.549 4.124 1.00 40.33 H new ATOM 0 HB2 LYS A 120 -13.156 -0.497 4.749 1.00 21.01 H new ATOM 0 HB3 LYS A 120 -14.047 -0.599 3.243 1.00 21.01 H new ATOM 0 HG2 LYS A 120 -14.929 -2.864 3.975 1.00 45.32 H new ATOM 0 HG3 LYS A 120 -14.118 -2.646 5.513 1.00 45.32 H new ATOM 0 HD2 LYS A 120 -16.491 -2.026 5.731 1.00 34.54 H new ATOM 0 HD3 LYS A 120 -15.487 -0.610 5.969 1.00 34.54 H new ATOM 0 HE2 LYS A 120 -15.897 0.030 3.554 1.00 52.34 H new ATOM 0 HE3 LYS A 120 -16.988 -1.334 3.411 1.00 52.34 H new ATOM 0 HZ1 LYS A 120 -18.187 0.704 3.863 1.00 41.30 H new ATOM 0 HZ2 LYS A 120 -18.371 -0.376 5.160 1.00 41.30 H new ATOM 0 HZ3 LYS A 120 -17.314 0.945 5.299 1.00 41.30 H new ATOM 2010 N GLU A 121 -13.018 -2.348 1.029 1.00 74.03 N ATOM 2011 CA GLU A 121 -13.455 -3.083 -0.180 1.00 30.12 C ATOM 2012 C GLU A 121 -12.578 -4.323 -0.422 1.00 21.13 C ATOM 2013 O GLU A 121 -13.078 -5.436 -0.651 1.00 35.30 O ATOM 2014 CB GLU A 121 -13.362 -2.146 -1.416 1.00 64.45 C ATOM 2015 CG GLU A 121 -13.790 -2.765 -2.761 1.00 73.01 C ATOM 2016 CD GLU A 121 -15.303 -3.009 -2.880 1.00 50.44 C ATOM 2017 OE1 GLU A 121 -16.044 -2.055 -3.188 1.00 70.23 O ATOM 2018 OE2 GLU A 121 -15.756 -4.152 -2.678 1.00 22.12 O ATOM 0 H GLU A 121 -12.842 -1.359 0.852 1.00 74.03 H new ATOM 0 HA GLU A 121 -14.484 -3.409 -0.028 1.00 30.12 H new ATOM 0 HB2 GLU A 121 -13.979 -1.267 -1.229 1.00 64.45 H new ATOM 0 HB3 GLU A 121 -12.333 -1.799 -1.508 1.00 64.45 H new ATOM 0 HG2 GLU A 121 -13.473 -2.107 -3.570 1.00 73.01 H new ATOM 0 HG3 GLU A 121 -13.267 -3.712 -2.897 1.00 73.01 H new ATOM 2025 N LEU A 122 -11.257 -4.102 -0.339 1.00 14.02 N ATOM 2026 CA LEU A 122 -10.253 -5.141 -0.562 1.00 41.14 C ATOM 2027 C LEU A 122 -10.258 -6.154 0.592 1.00 31.41 C ATOM 2028 O LEU A 122 -10.291 -7.352 0.352 1.00 40.52 O ATOM 2029 CB LEU A 122 -8.859 -4.496 -0.740 1.00 55.50 C ATOM 2030 CG LEU A 122 -8.746 -3.510 -1.942 1.00 73.01 C ATOM 2031 CD1 LEU A 122 -7.383 -2.819 -1.956 1.00 22.43 C ATOM 2032 CD2 LEU A 122 -9.027 -4.220 -3.289 1.00 13.31 C ATOM 0 H LEU A 122 -10.858 -3.191 -0.114 1.00 14.02 H new ATOM 0 HA LEU A 122 -10.498 -5.683 -1.475 1.00 41.14 H new ATOM 0 HB2 LEU A 122 -8.601 -3.963 0.175 1.00 55.50 H new ATOM 0 HB3 LEU A 122 -8.121 -5.288 -0.867 1.00 55.50 H new ATOM 0 HG LEU A 122 -9.511 -2.744 -1.813 1.00 73.01 H new ATOM 0 HD11 LEU A 122 -7.330 -2.136 -2.804 1.00 22.43 H new ATOM 0 HD12 LEU A 122 -7.250 -2.259 -1.031 1.00 22.43 H new ATOM 0 HD13 LEU A 122 -6.596 -3.568 -2.043 1.00 22.43 H new ATOM 0 HD21 LEU A 122 -8.939 -3.502 -4.104 1.00 13.31 H new ATOM 0 HD22 LEU A 122 -8.305 -5.024 -3.434 1.00 13.31 H new ATOM 0 HD23 LEU A 122 -10.035 -4.635 -3.278 1.00 13.31 H new ATOM 2044 N LEU A 123 -10.292 -5.647 1.840 1.00 54.01 N ATOM 2045 CA LEU A 123 -10.268 -6.481 3.069 1.00 64.11 C ATOM 2046 C LEU A 123 -11.450 -7.478 3.131 1.00 71.25 C ATOM 2047 O LEU A 123 -11.294 -8.596 3.642 1.00 61.11 O ATOM 2048 CB LEU A 123 -10.218 -5.588 4.347 1.00 11.45 C ATOM 2049 CG LEU A 123 -8.800 -5.166 4.865 1.00 54.15 C ATOM 2050 CD1 LEU A 123 -7.991 -4.344 3.838 1.00 12.23 C ATOM 2051 CD2 LEU A 123 -8.942 -4.415 6.196 1.00 75.20 C ATOM 0 H LEU A 123 -10.337 -4.646 2.030 1.00 54.01 H new ATOM 0 HA LEU A 123 -9.357 -7.078 3.030 1.00 64.11 H new ATOM 0 HB2 LEU A 123 -10.790 -4.681 4.149 1.00 11.45 H new ATOM 0 HB3 LEU A 123 -10.728 -6.118 5.151 1.00 11.45 H new ATOM 0 HG LEU A 123 -8.226 -6.079 5.021 1.00 54.15 H new ATOM 0 HD11 LEU A 123 -7.021 -4.086 4.262 1.00 12.23 H new ATOM 0 HD12 LEU A 123 -7.846 -4.934 2.933 1.00 12.23 H new ATOM 0 HD13 LEU A 123 -8.534 -3.431 3.593 1.00 12.23 H new ATOM 0 HD21 LEU A 123 -7.956 -4.122 6.555 1.00 75.20 H new ATOM 0 HD22 LEU A 123 -9.554 -3.525 6.048 1.00 75.20 H new ATOM 0 HD23 LEU A 123 -9.418 -5.064 6.931 1.00 75.20 H new ATOM 2063 N GLU A 124 -12.610 -7.084 2.577 1.00 0.10 N ATOM 2064 CA GLU A 124 -13.798 -7.962 2.499 1.00 63.12 C ATOM 2065 C GLU A 124 -13.554 -9.186 1.578 1.00 43.12 C ATOM 2066 O GLU A 124 -14.191 -10.237 1.738 1.00 34.12 O ATOM 2067 CB GLU A 124 -15.043 -7.159 2.047 1.00 71.35 C ATOM 2068 CG GLU A 124 -15.461 -6.013 2.997 1.00 61.12 C ATOM 2069 CD GLU A 124 -15.586 -6.442 4.473 1.00 74.23 C ATOM 2070 OE1 GLU A 124 -16.648 -6.979 4.859 1.00 44.31 O ATOM 2071 OE2 GLU A 124 -14.620 -6.259 5.248 1.00 52.05 O ATOM 0 H GLU A 124 -12.753 -6.158 2.174 1.00 0.10 H new ATOM 0 HA GLU A 124 -13.986 -8.350 3.500 1.00 63.12 H new ATOM 0 HB2 GLU A 124 -14.848 -6.740 1.060 1.00 71.35 H new ATOM 0 HB3 GLU A 124 -15.882 -7.847 1.941 1.00 71.35 H new ATOM 0 HG2 GLU A 124 -14.730 -5.208 2.923 1.00 61.12 H new ATOM 0 HG3 GLU A 124 -16.417 -5.608 2.664 1.00 61.12 H new ATOM 2078 N LYS A 125 -12.619 -9.036 0.629 1.00 34.15 N ATOM 2079 CA LYS A 125 -12.185 -10.112 -0.288 1.00 32.03 C ATOM 2080 C LYS A 125 -10.724 -10.538 0.013 1.00 60.40 C ATOM 2081 O LYS A 125 -10.106 -11.229 -0.803 1.00 63.21 O ATOM 2082 CB LYS A 125 -12.340 -9.618 -1.760 1.00 14.02 C ATOM 2083 CG LYS A 125 -13.807 -9.370 -2.196 1.00 10.04 C ATOM 2084 CD LYS A 125 -13.933 -8.824 -3.641 1.00 31.52 C ATOM 2085 CE LYS A 125 -13.408 -7.385 -3.791 1.00 55.32 C ATOM 2086 NZ LYS A 125 -14.181 -6.421 -2.965 1.00 31.34 N ATOM 0 H LYS A 125 -12.133 -8.153 0.471 1.00 34.15 H new ATOM 0 HA LYS A 125 -12.812 -10.991 -0.140 1.00 32.03 H new ATOM 0 HB2 LYS A 125 -11.775 -8.694 -1.883 1.00 14.02 H new ATOM 0 HB3 LYS A 125 -11.894 -10.355 -2.428 1.00 14.02 H new ATOM 0 HG2 LYS A 125 -14.365 -10.303 -2.118 1.00 10.04 H new ATOM 0 HG3 LYS A 125 -14.269 -8.664 -1.506 1.00 10.04 H new ATOM 0 HD2 LYS A 125 -13.384 -9.477 -4.319 1.00 31.52 H new ATOM 0 HD3 LYS A 125 -14.979 -8.856 -3.945 1.00 31.52 H new ATOM 0 HE2 LYS A 125 -12.358 -7.350 -3.501 1.00 55.32 H new ATOM 0 HE3 LYS A 125 -13.459 -7.088 -4.838 1.00 55.32 H new ATOM 0 HZ1 LYS A 125 -14.440 -5.597 -3.544 1.00 31.34 H new ATOM 0 HZ2 LYS A 125 -15.044 -6.881 -2.611 1.00 31.34 H new ATOM 0 HZ3 LYS A 125 -13.600 -6.109 -2.161 1.00 31.34 H new ATOM 2100 N VAL A 126 -10.183 -10.104 1.196 1.00 14.03 N ATOM 2101 CA VAL A 126 -8.804 -10.444 1.692 1.00 54.54 C ATOM 2102 C VAL A 126 -7.684 -9.741 0.846 1.00 50.10 C ATOM 2103 O VAL A 126 -6.480 -9.908 1.080 1.00 24.41 O ATOM 2104 CB VAL A 126 -8.618 -12.025 1.814 1.00 1.04 C ATOM 2105 CG1 VAL A 126 -7.239 -12.452 2.374 1.00 35.24 C ATOM 2106 CG2 VAL A 126 -9.759 -12.639 2.678 1.00 40.23 C ATOM 0 H VAL A 126 -10.697 -9.502 1.840 1.00 14.03 H new ATOM 0 HA VAL A 126 -8.694 -10.042 2.699 1.00 54.54 H new ATOM 0 HB VAL A 126 -8.668 -12.413 0.797 1.00 1.04 H new ATOM 0 HG11 VAL A 126 -7.189 -13.540 2.427 1.00 35.24 H new ATOM 0 HG12 VAL A 126 -6.450 -12.084 1.718 1.00 35.24 H new ATOM 0 HG13 VAL A 126 -7.106 -12.034 3.372 1.00 35.24 H new ATOM 0 HG21 VAL A 126 -9.619 -13.717 2.752 1.00 40.23 H new ATOM 0 HG22 VAL A 126 -9.736 -12.200 3.676 1.00 40.23 H new ATOM 0 HG23 VAL A 126 -10.722 -12.429 2.212 1.00 40.23 H new ATOM 2116 N GLY A 127 -8.109 -8.903 -0.107 1.00 21.34 N ATOM 2117 CA GLY A 127 -7.224 -8.132 -0.974 1.00 31.41 C ATOM 2118 C GLY A 127 -7.810 -8.041 -2.371 1.00 23.34 C ATOM 2119 O GLY A 127 -9.027 -8.235 -2.559 1.00 23.03 O ATOM 0 H GLY A 127 -9.098 -8.742 -0.297 1.00 21.34 H new ATOM 0 HA2 GLY A 127 -7.083 -7.132 -0.565 1.00 31.41 H new ATOM 0 HA3 GLY A 127 -6.241 -8.602 -1.014 1.00 31.41 H new