USER MOD reduce.3.24.130724 H: found=0, std=0, add=945, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 944 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 48 THR OG1 : rot 60:sc= -0.0299 USER MOD Set 1.2: A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot -164:sc= 0.365 USER MOD Single : A 15 ASN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 19 TYR OH : rot 30:sc= -0.002 USER MOD Single : A 21 THR OG1 : rot 72:sc= 0.712 USER MOD Single : A 24 ASN : amide:sc= -0.225 K(o=-0.23,f=-4.8!) USER MOD Single : A 37 THR OG1 : rot 76:sc= 0.335 USER MOD Single : A 46 HIS : no HE2:sc= -1.84 X(o=-1.8,f=-1.9) USER MOD Single : A 50 MET CE :methyl -122:sc= 0 (180deg=-0.00279) USER MOD Single : A 56 LYS NZ :NH3+ -154:sc= 0.261 (180deg=-1.51!) USER MOD Single : A 57 LYS NZ :NH3+ -133:sc= 0.134 (180deg=-0.962!) USER MOD Single : A 59 MET CE :methyl -156:sc= -0.11 (180deg=-0.741) USER MOD Single : A 72 LYS NZ :NH3+ -172:sc= 0.493 (180deg=0.074) USER MOD Single : A 78 LYS NZ :NH3+ 178:sc= -0.0187 (180deg=-0.209) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HE2:sc= 0.17 K(o=0.17,f=-0.8) USER MOD Single : A 85 MET CE :methyl 128:sc= -2.79! (180deg=-3.98!) USER MOD Single : A 90 LYS NZ :NH3+ -171:sc= 1.25 (180deg=1.04) USER MOD Single : A 94 LYS NZ :NH3+ 170:sc= 0.746 (180deg=0.379) USER MOD Single : A 109 LYS NZ :NH3+ -169:sc= 1.26 (180deg=1.23) USER MOD Single : A 112 LYS NZ :NH3+ -136:sc= 1.61 (180deg=-0.545!) USER MOD ----------------------------------------------------------------- ATOM 55 N GLU A 5 11.302 -3.315 -2.136 1.00 1.52 N ATOM 56 CA GLU A 5 11.190 -3.634 -0.713 1.00 1.24 C ATOM 57 C GLU A 5 9.713 -3.561 -0.303 1.00 0.93 C ATOM 58 O GLU A 5 9.062 -2.538 -0.540 1.00 1.36 O ATOM 59 CB GLU A 5 11.942 -2.584 0.125 1.00 2.78 C ATOM 60 CG GLU A 5 13.427 -2.436 -0.215 1.00 3.89 C ATOM 61 CD GLU A 5 14.262 -3.662 0.152 1.00 4.50 C ATOM 62 OE1 GLU A 5 13.967 -4.302 1.188 1.00 5.27 O ATOM 63 OE2 GLU A 5 15.190 -3.941 -0.638 1.00 4.90 O ATOM 0 HA GLU A 5 11.606 -4.627 -0.544 1.00 1.24 H new ATOM 0 HB2 GLU A 5 11.455 -1.618 -0.007 1.00 2.78 H new ATOM 0 HB3 GLU A 5 11.849 -2.846 1.179 1.00 2.78 H new ATOM 0 HG2 GLU A 5 13.529 -2.243 -1.283 1.00 3.89 H new ATOM 0 HG3 GLU A 5 13.826 -1.566 0.306 1.00 3.89 H new ATOM 70 N GLY A 6 9.164 -4.603 0.325 1.00 1.13 N ATOM 71 CA GLY A 6 7.815 -4.546 0.896 1.00 1.00 C ATOM 72 C GLY A 6 7.475 -5.714 1.816 1.00 0.96 C ATOM 73 O GLY A 6 8.157 -6.735 1.800 1.00 1.09 O ATOM 0 H GLY A 6 9.634 -5.499 0.452 1.00 1.13 H new ATOM 0 HA2 GLY A 6 7.708 -3.616 1.454 1.00 1.00 H new ATOM 0 HA3 GLY A 6 7.090 -4.515 0.083 1.00 1.00 H new ATOM 77 N TRP A 7 6.396 -5.573 2.593 1.00 0.90 N ATOM 78 CA TRP A 7 5.894 -6.597 3.517 1.00 0.88 C ATOM 79 C TRP A 7 4.416 -6.415 3.911 1.00 0.85 C ATOM 80 O TRP A 7 3.866 -5.311 3.879 1.00 0.87 O ATOM 81 CB TRP A 7 6.781 -6.694 4.775 1.00 1.02 C ATOM 82 CG TRP A 7 6.861 -5.514 5.698 1.00 1.06 C ATOM 83 CD1 TRP A 7 6.082 -5.332 6.788 1.00 1.07 C ATOM 84 CD2 TRP A 7 7.834 -4.423 5.722 1.00 1.31 C ATOM 85 NE1 TRP A 7 6.531 -4.247 7.511 1.00 1.20 N ATOM 86 CE2 TRP A 7 7.598 -3.633 6.888 1.00 1.41 C ATOM 87 CE3 TRP A 7 8.912 -4.036 4.896 1.00 1.63 C ATOM 88 CZ2 TRP A 7 8.383 -2.515 7.213 1.00 1.80 C ATOM 89 CZ3 TRP A 7 9.710 -2.922 5.215 1.00 2.08 C ATOM 90 CH2 TRP A 7 9.446 -2.159 6.366 1.00 2.16 C ATOM 0 H TRP A 7 5.833 -4.722 2.597 1.00 0.90 H new ATOM 0 HA TRP A 7 5.947 -7.536 2.966 1.00 0.88 H new ATOM 0 HB2 TRP A 7 6.433 -7.546 5.359 1.00 1.02 H new ATOM 0 HB3 TRP A 7 7.794 -6.925 4.447 1.00 1.02 H new ATOM 0 HD1 TRP A 7 5.234 -5.946 7.053 1.00 1.07 H new ATOM 0 HE1 TRP A 7 6.126 -3.938 8.394 1.00 1.20 H new ATOM 0 HE3 TRP A 7 9.128 -4.605 4.004 1.00 1.63 H new ATOM 0 HZ2 TRP A 7 8.173 -1.937 8.101 1.00 1.80 H new ATOM 0 HZ3 TRP A 7 10.533 -2.651 4.570 1.00 2.08 H new ATOM 0 HH2 TRP A 7 10.059 -1.301 6.599 1.00 2.16 H new ATOM 101 N VAL A 8 3.795 -7.502 4.370 1.00 0.89 N ATOM 102 CA VAL A 8 2.512 -7.466 5.095 1.00 0.97 C ATOM 103 C VAL A 8 2.813 -7.688 6.577 1.00 0.96 C ATOM 104 O VAL A 8 3.547 -8.609 6.918 1.00 0.99 O ATOM 105 CB VAL A 8 1.518 -8.512 4.546 1.00 1.11 C ATOM 106 CG1 VAL A 8 0.207 -8.512 5.353 1.00 1.25 C ATOM 107 CG2 VAL A 8 1.212 -8.229 3.065 1.00 1.21 C ATOM 0 H VAL A 8 4.167 -8.444 4.251 1.00 0.89 H new ATOM 0 HA VAL A 8 2.029 -6.499 4.956 1.00 0.97 H new ATOM 0 HB VAL A 8 1.982 -9.494 4.640 1.00 1.11 H new ATOM 0 HG11 VAL A 8 -0.473 -9.259 4.943 1.00 1.25 H new ATOM 0 HG12 VAL A 8 0.421 -8.750 6.395 1.00 1.25 H new ATOM 0 HG13 VAL A 8 -0.257 -7.527 5.294 1.00 1.25 H new ATOM 0 HG21 VAL A 8 0.510 -8.974 2.690 1.00 1.21 H new ATOM 0 HG22 VAL A 8 0.774 -7.236 2.967 1.00 1.21 H new ATOM 0 HG23 VAL A 8 2.135 -8.277 2.487 1.00 1.21 H new ATOM 117 N ARG A 9 2.288 -6.835 7.462 1.00 1.03 N ATOM 118 CA ARG A 9 2.777 -6.751 8.849 1.00 1.14 C ATOM 119 C ARG A 9 2.173 -7.768 9.837 1.00 1.41 C ATOM 120 O ARG A 9 2.557 -7.760 11.006 1.00 3.12 O ATOM 121 CB ARG A 9 2.669 -5.292 9.328 1.00 1.37 C ATOM 122 CG ARG A 9 1.470 -4.952 10.230 1.00 1.27 C ATOM 123 CD ARG A 9 1.447 -3.451 10.522 1.00 1.83 C ATOM 124 NE ARG A 9 0.505 -3.121 11.611 1.00 2.46 N ATOM 125 CZ ARG A 9 0.835 -2.798 12.858 1.00 2.93 C ATOM 126 NH1 ARG A 9 2.075 -2.738 13.270 1.00 3.55 N ATOM 127 NH2 ARG A 9 -0.103 -2.527 13.740 1.00 3.97 N ATOM 0 H ARG A 9 1.526 -6.192 7.247 1.00 1.03 H new ATOM 0 HA ARG A 9 3.824 -7.055 8.835 1.00 1.14 H new ATOM 0 HB2 ARG A 9 3.583 -5.041 9.867 1.00 1.37 H new ATOM 0 HB3 ARG A 9 2.629 -4.647 8.450 1.00 1.37 H new ATOM 0 HG2 ARG A 9 0.542 -5.251 9.743 1.00 1.27 H new ATOM 0 HG3 ARG A 9 1.535 -5.512 11.163 1.00 1.27 H new ATOM 0 HD2 ARG A 9 2.449 -3.118 10.794 1.00 1.83 H new ATOM 0 HD3 ARG A 9 1.164 -2.909 9.620 1.00 1.83 H new ATOM 0 HE ARG A 9 -0.490 -3.143 11.386 1.00 2.46 H new ATOM 0 HH11 ARG A 9 2.837 -2.944 12.624 1.00 3.55 H new ATOM 0 HH12 ARG A 9 2.280 -2.485 14.237 1.00 3.55 H new ATOM 0 HH21 ARG A 9 -1.085 -2.565 13.468 1.00 3.97 H new ATOM 0 HH22 ARG A 9 0.152 -2.279 14.696 1.00 3.97 H new ATOM 141 N PHE A 10 1.225 -8.598 9.369 1.00 1.23 N ATOM 142 CA PHE A 10 0.375 -9.513 10.144 1.00 1.51 C ATOM 143 C PHE A 10 -0.612 -8.790 11.095 1.00 1.73 C ATOM 144 O PHE A 10 -0.408 -7.680 11.580 1.00 2.18 O ATOM 145 CB PHE A 10 1.243 -10.607 10.811 1.00 1.83 C ATOM 146 CG PHE A 10 0.690 -11.394 11.988 1.00 2.10 C ATOM 147 CD1 PHE A 10 -0.499 -12.145 11.897 1.00 3.16 C ATOM 148 CD2 PHE A 10 1.423 -11.420 13.188 1.00 2.22 C ATOM 149 CE1 PHE A 10 -0.971 -12.862 13.010 1.00 3.36 C ATOM 150 CE2 PHE A 10 0.984 -12.182 14.281 1.00 2.41 C ATOM 151 CZ PHE A 10 -0.224 -12.892 14.199 1.00 2.57 C ATOM 0 H PHE A 10 1.020 -8.649 8.371 1.00 1.23 H new ATOM 0 HA PHE A 10 -0.296 -10.023 9.453 1.00 1.51 H new ATOM 0 HB2 PHE A 10 1.513 -11.325 10.037 1.00 1.83 H new ATOM 0 HB3 PHE A 10 2.167 -10.133 11.142 1.00 1.83 H new ATOM 0 HD1 PHE A 10 -1.050 -12.170 10.968 1.00 3.16 H new ATOM 0 HD2 PHE A 10 2.335 -10.847 13.269 1.00 2.22 H new ATOM 0 HE1 PHE A 10 -1.911 -13.391 12.951 1.00 3.36 H new ATOM 0 HE2 PHE A 10 1.575 -12.222 15.184 1.00 2.41 H new ATOM 0 HZ PHE A 10 -0.578 -13.459 15.047 1.00 2.57 H new ATOM 161 N SER A 11 -1.724 -9.474 11.346 1.00 1.69 N ATOM 162 CA SER A 11 -2.611 -9.315 12.493 1.00 1.88 C ATOM 163 C SER A 11 -3.439 -10.603 12.644 1.00 1.83 C ATOM 164 O SER A 11 -3.740 -11.231 11.622 1.00 1.90 O ATOM 165 CB SER A 11 -3.558 -8.141 12.258 1.00 2.42 C ATOM 166 OG SER A 11 -4.386 -7.875 13.373 1.00 3.74 O ATOM 0 H SER A 11 -2.051 -10.202 10.711 1.00 1.69 H new ATOM 0 HA SER A 11 -2.024 -9.126 13.392 1.00 1.88 H new ATOM 0 HB2 SER A 11 -2.975 -7.251 12.023 1.00 2.42 H new ATOM 0 HB3 SER A 11 -4.182 -8.351 11.389 1.00 2.42 H new ATOM 0 HG SER A 11 -5.129 -7.298 13.098 1.00 3.74 H new ATOM 172 N PRO A 12 -3.797 -11.019 13.875 1.00 1.92 N ATOM 173 CA PRO A 12 -4.760 -12.091 14.111 1.00 2.09 C ATOM 174 C PRO A 12 -6.216 -11.588 14.070 1.00 2.36 C ATOM 175 O PRO A 12 -7.135 -12.401 14.136 1.00 3.45 O ATOM 176 CB PRO A 12 -4.396 -12.618 15.503 1.00 2.21 C ATOM 177 CG PRO A 12 -3.949 -11.352 16.236 1.00 2.27 C ATOM 178 CD PRO A 12 -3.247 -10.546 15.141 1.00 2.05 C ATOM 0 HA PRO A 12 -4.709 -12.859 13.339 1.00 2.09 H new ATOM 0 HB2 PRO A 12 -5.248 -13.090 15.993 1.00 2.21 H new ATOM 0 HB3 PRO A 12 -3.601 -13.362 15.459 1.00 2.21 H new ATOM 0 HG2 PRO A 12 -4.796 -10.809 16.656 1.00 2.27 H new ATOM 0 HG3 PRO A 12 -3.276 -11.581 17.062 1.00 2.27 H new ATOM 0 HD2 PRO A 12 -3.425 -9.478 15.268 1.00 2.05 H new ATOM 0 HD3 PRO A 12 -2.168 -10.696 15.178 1.00 2.05 H new ATOM 186 N GLY A 13 -6.439 -10.265 13.994 1.00 1.71 N ATOM 187 CA GLY A 13 -7.763 -9.642 14.066 1.00 1.90 C ATOM 188 C GLY A 13 -8.482 -9.528 12.709 1.00 1.67 C ATOM 189 O GLY A 13 -8.061 -10.133 11.725 1.00 1.76 O ATOM 0 H GLY A 13 -5.685 -9.588 13.878 1.00 1.71 H new ATOM 0 HA2 GLY A 13 -8.387 -10.220 14.748 1.00 1.90 H new ATOM 0 HA3 GLY A 13 -7.660 -8.645 14.495 1.00 1.90 H new ATOM 193 N PRO A 14 -9.573 -8.739 12.635 1.00 1.60 N ATOM 194 CA PRO A 14 -10.350 -8.548 11.410 1.00 1.59 C ATOM 195 C PRO A 14 -9.647 -7.652 10.375 1.00 1.29 C ATOM 196 O PRO A 14 -10.123 -7.560 9.242 1.00 1.38 O ATOM 197 CB PRO A 14 -11.668 -7.923 11.879 1.00 1.80 C ATOM 198 CG PRO A 14 -11.246 -7.108 13.100 1.00 1.76 C ATOM 199 CD PRO A 14 -10.162 -7.981 13.732 1.00 1.74 C ATOM 0 HA PRO A 14 -10.491 -9.496 10.891 1.00 1.59 H new ATOM 0 HB2 PRO A 14 -12.113 -7.294 11.108 1.00 1.80 H new ATOM 0 HB3 PRO A 14 -12.406 -8.683 12.136 1.00 1.80 H new ATOM 0 HG2 PRO A 14 -10.862 -6.127 12.819 1.00 1.76 H new ATOM 0 HG3 PRO A 14 -12.079 -6.941 13.782 1.00 1.76 H new ATOM 0 HD2 PRO A 14 -9.411 -7.370 14.233 1.00 1.74 H new ATOM 0 HD3 PRO A 14 -10.585 -8.647 14.484 1.00 1.74 H new ATOM 207 N ASN A 15 -8.534 -6.999 10.749 1.00 1.11 N ATOM 208 CA ASN A 15 -7.795 -6.056 9.916 1.00 0.93 C ATOM 209 C ASN A 15 -6.285 -5.959 10.245 1.00 0.89 C ATOM 210 O ASN A 15 -5.820 -6.361 11.315 1.00 1.08 O ATOM 211 CB ASN A 15 -8.494 -4.682 9.958 1.00 1.10 C ATOM 212 CG ASN A 15 -8.638 -4.062 11.344 1.00 1.59 C ATOM 213 OD1 ASN A 15 -8.028 -4.470 12.323 1.00 2.15 O ATOM 214 ND2 ASN A 15 -9.465 -3.041 11.463 1.00 2.22 N ATOM 0 H ASN A 15 -8.116 -7.122 11.671 1.00 1.11 H new ATOM 0 HA ASN A 15 -7.814 -6.442 8.897 1.00 0.93 H new ATOM 0 HB2 ASN A 15 -7.937 -3.991 9.326 1.00 1.10 H new ATOM 0 HB3 ASN A 15 -9.487 -4.785 9.520 1.00 1.10 H new ATOM 0 HD21 ASN A 15 -9.595 -2.593 12.370 1.00 2.22 H new ATOM 0 HD22 ASN A 15 -9.974 -2.700 10.648 1.00 2.22 H new ATOM 221 N ALA A 16 -5.523 -5.414 9.288 1.00 0.78 N ATOM 222 CA ALA A 16 -4.067 -5.228 9.298 1.00 0.93 C ATOM 223 C ALA A 16 -3.624 -4.097 8.349 1.00 0.79 C ATOM 224 O ALA A 16 -4.458 -3.409 7.764 1.00 0.71 O ATOM 225 CB ALA A 16 -3.393 -6.567 8.943 1.00 1.18 C ATOM 0 H ALA A 16 -5.939 -5.066 8.424 1.00 0.78 H new ATOM 0 HA ALA A 16 -3.755 -4.921 10.296 1.00 0.93 H new ATOM 0 HB1 ALA A 16 -2.310 -6.442 8.947 1.00 1.18 H new ATOM 0 HB2 ALA A 16 -3.674 -7.322 9.678 1.00 1.18 H new ATOM 0 HB3 ALA A 16 -3.717 -6.886 7.953 1.00 1.18 H new ATOM 231 N ALA A 17 -2.306 -3.923 8.188 1.00 1.06 N ATOM 232 CA ALA A 17 -1.690 -2.980 7.252 1.00 1.00 C ATOM 233 C ALA A 17 -0.495 -3.613 6.518 1.00 1.12 C ATOM 234 O ALA A 17 0.100 -4.583 7.009 1.00 1.32 O ATOM 235 CB ALA A 17 -1.248 -1.719 8.010 1.00 1.14 C ATOM 0 H ALA A 17 -1.619 -4.453 8.724 1.00 1.06 H new ATOM 0 HA ALA A 17 -2.430 -2.710 6.498 1.00 1.00 H new ATOM 0 HB1 ALA A 17 -0.790 -1.017 7.313 1.00 1.14 H new ATOM 0 HB2 ALA A 17 -2.115 -1.252 8.477 1.00 1.14 H new ATOM 0 HB3 ALA A 17 -0.525 -1.991 8.779 1.00 1.14 H new ATOM 241 N ALA A 18 -0.140 -3.019 5.375 1.00 1.16 N ATOM 242 CA ALA A 18 0.953 -3.444 4.502 1.00 1.23 C ATOM 243 C ALA A 18 1.623 -2.277 3.754 1.00 0.99 C ATOM 244 O ALA A 18 1.071 -1.178 3.630 1.00 1.12 O ATOM 245 CB ALA A 18 0.406 -4.481 3.517 1.00 1.41 C ATOM 0 H ALA A 18 -0.627 -2.196 5.020 1.00 1.16 H new ATOM 0 HA ALA A 18 1.736 -3.878 5.124 1.00 1.23 H new ATOM 0 HB1 ALA A 18 1.206 -4.812 2.855 1.00 1.41 H new ATOM 0 HB2 ALA A 18 0.015 -5.336 4.069 1.00 1.41 H new ATOM 0 HB3 ALA A 18 -0.393 -4.035 2.925 1.00 1.41 H new ATOM 251 N TYR A 19 2.820 -2.559 3.231 1.00 0.76 N ATOM 252 CA TYR A 19 3.766 -1.596 2.651 1.00 0.75 C ATOM 253 C TYR A 19 4.525 -2.218 1.471 1.00 0.81 C ATOM 254 O TYR A 19 4.754 -3.430 1.454 1.00 0.96 O ATOM 255 CB TYR A 19 4.797 -1.170 3.711 1.00 0.78 C ATOM 256 CG TYR A 19 4.237 -1.024 5.107 1.00 0.76 C ATOM 257 CD1 TYR A 19 3.491 0.114 5.460 1.00 1.83 C ATOM 258 CD2 TYR A 19 4.369 -2.091 6.011 1.00 1.81 C ATOM 259 CE1 TYR A 19 2.860 0.179 6.716 1.00 1.92 C ATOM 260 CE2 TYR A 19 3.771 -2.026 7.279 1.00 1.73 C ATOM 261 CZ TYR A 19 3.010 -0.888 7.634 1.00 0.77 C ATOM 262 OH TYR A 19 2.414 -0.814 8.854 1.00 0.91 O ATOM 0 H TYR A 19 3.175 -3.515 3.198 1.00 0.76 H new ATOM 0 HA TYR A 19 3.194 -0.735 2.305 1.00 0.75 H new ATOM 0 HB2 TYR A 19 5.603 -1.904 3.731 1.00 0.78 H new ATOM 0 HB3 TYR A 19 5.238 -0.220 3.409 1.00 0.78 H new ATOM 0 HD1 TYR A 19 3.402 0.938 4.768 1.00 1.83 H new ATOM 0 HD2 TYR A 19 4.934 -2.967 5.729 1.00 1.81 H new ATOM 0 HE1 TYR A 19 2.263 1.040 6.979 1.00 1.92 H new ATOM 0 HE2 TYR A 19 3.891 -2.840 7.979 1.00 1.73 H new ATOM 0 HH TYR A 19 1.596 -0.278 8.787 1.00 0.91 H new ATOM 272 N LEU A 20 4.968 -1.383 0.525 1.00 0.76 N ATOM 273 CA LEU A 20 5.750 -1.792 -0.644 1.00 0.79 C ATOM 274 C LEU A 20 6.391 -0.599 -1.352 1.00 0.78 C ATOM 275 O LEU A 20 5.928 0.539 -1.250 1.00 0.82 O ATOM 276 CB LEU A 20 4.922 -2.693 -1.599 1.00 0.83 C ATOM 277 CG LEU A 20 3.645 -2.066 -2.205 1.00 0.91 C ATOM 278 CD1 LEU A 20 3.917 -1.319 -3.519 1.00 1.48 C ATOM 279 CD2 LEU A 20 2.607 -3.167 -2.468 1.00 1.59 C ATOM 0 H LEU A 20 4.788 -0.379 0.553 1.00 0.76 H new ATOM 0 HA LEU A 20 6.578 -2.404 -0.286 1.00 0.79 H new ATOM 0 HB2 LEU A 20 5.569 -3.008 -2.418 1.00 0.83 H new ATOM 0 HB3 LEU A 20 4.635 -3.593 -1.055 1.00 0.83 H new ATOM 0 HG LEU A 20 3.272 -1.341 -1.481 1.00 0.91 H new ATOM 0 HD11 LEU A 20 2.985 -0.900 -3.899 1.00 1.48 H new ATOM 0 HD12 LEU A 20 4.630 -0.515 -3.339 1.00 1.48 H new ATOM 0 HD13 LEU A 20 4.329 -2.012 -4.253 1.00 1.48 H new ATOM 0 HD21 LEU A 20 1.707 -2.724 -2.895 1.00 1.59 H new ATOM 0 HD22 LEU A 20 3.019 -3.896 -3.166 1.00 1.59 H new ATOM 0 HD23 LEU A 20 2.357 -3.663 -1.530 1.00 1.59 H new ATOM 291 N THR A 21 7.442 -0.886 -2.114 1.00 0.84 N ATOM 292 CA THR A 21 8.062 0.053 -3.052 1.00 0.88 C ATOM 293 C THR A 21 7.380 -0.127 -4.407 1.00 0.94 C ATOM 294 O THR A 21 7.066 -1.241 -4.815 1.00 1.13 O ATOM 295 CB THR A 21 9.574 -0.178 -3.097 1.00 1.01 C ATOM 296 OG1 THR A 21 10.079 -0.121 -1.788 1.00 1.05 O ATOM 297 CG2 THR A 21 10.319 0.872 -3.919 1.00 1.25 C ATOM 0 H THR A 21 7.899 -1.798 -2.099 1.00 0.84 H new ATOM 0 HA THR A 21 7.927 1.088 -2.738 1.00 0.88 H new ATOM 0 HB THR A 21 9.730 -1.150 -3.565 1.00 1.01 H new ATOM 0 HG1 THR A 21 9.806 -0.924 -1.297 1.00 1.05 H new ATOM 0 HG21 THR A 21 11.386 0.651 -3.911 1.00 1.25 H new ATOM 0 HG22 THR A 21 9.953 0.857 -4.946 1.00 1.25 H new ATOM 0 HG23 THR A 21 10.150 1.859 -3.488 1.00 1.25 H new ATOM 305 N LEU A 22 7.098 0.970 -5.101 1.00 1.01 N ATOM 306 CA LEU A 22 6.400 0.992 -6.385 1.00 1.12 C ATOM 307 C LEU A 22 7.349 1.596 -7.422 1.00 0.87 C ATOM 308 O LEU A 22 7.942 2.650 -7.173 1.00 0.85 O ATOM 309 CB LEU A 22 5.110 1.822 -6.195 1.00 1.47 C ATOM 310 CG LEU A 22 3.959 1.657 -7.205 1.00 1.78 C ATOM 311 CD1 LEU A 22 4.393 1.921 -8.643 1.00 2.16 C ATOM 312 CD2 LEU A 22 3.289 0.279 -7.089 1.00 2.27 C ATOM 0 H LEU A 22 7.357 1.901 -4.776 1.00 1.01 H new ATOM 0 HA LEU A 22 6.115 -0.000 -6.735 1.00 1.12 H new ATOM 0 HB2 LEU A 22 4.714 1.593 -5.205 1.00 1.47 H new ATOM 0 HB3 LEU A 22 5.394 2.874 -6.189 1.00 1.47 H new ATOM 0 HG LEU A 22 3.224 2.418 -6.944 1.00 1.78 H new ATOM 0 HD11 LEU A 22 3.541 1.790 -9.310 1.00 2.16 H new ATOM 0 HD12 LEU A 22 4.767 2.941 -8.729 1.00 2.16 H new ATOM 0 HD13 LEU A 22 5.181 1.221 -8.919 1.00 2.16 H new ATOM 0 HD21 LEU A 22 2.483 0.204 -7.819 1.00 2.27 H new ATOM 0 HD22 LEU A 22 4.026 -0.501 -7.281 1.00 2.27 H new ATOM 0 HD23 LEU A 22 2.883 0.155 -6.085 1.00 2.27 H new ATOM 324 N GLU A 23 7.484 0.949 -8.580 1.00 0.86 N ATOM 325 CA GLU A 23 8.231 1.474 -9.720 1.00 0.81 C ATOM 326 C GLU A 23 7.368 1.551 -10.974 1.00 0.85 C ATOM 327 O GLU A 23 6.671 0.604 -11.328 1.00 1.04 O ATOM 328 CB GLU A 23 9.509 0.663 -9.972 1.00 1.16 C ATOM 329 CG GLU A 23 9.356 -0.785 -10.464 1.00 1.51 C ATOM 330 CD GLU A 23 10.745 -1.408 -10.549 1.00 2.10 C ATOM 331 OE1 GLU A 23 11.364 -1.606 -9.486 1.00 2.15 O ATOM 332 OE2 GLU A 23 11.313 -1.538 -11.651 1.00 3.31 O ATOM 0 H GLU A 23 7.071 0.033 -8.753 1.00 0.86 H new ATOM 0 HA GLU A 23 8.529 2.492 -9.469 1.00 0.81 H new ATOM 0 HB2 GLU A 23 10.109 1.203 -10.704 1.00 1.16 H new ATOM 0 HB3 GLU A 23 10.081 0.642 -9.044 1.00 1.16 H new ATOM 0 HG2 GLU A 23 8.725 -1.354 -9.781 1.00 1.51 H new ATOM 0 HG3 GLU A 23 8.870 -0.806 -11.439 1.00 1.51 H new ATOM 339 N ASN A 24 7.474 2.676 -11.674 1.00 0.81 N ATOM 340 CA ASN A 24 7.027 2.832 -13.047 1.00 0.82 C ATOM 341 C ASN A 24 8.236 2.759 -13.998 1.00 0.84 C ATOM 342 O ASN A 24 9.089 3.647 -13.945 1.00 0.82 O ATOM 343 CB ASN A 24 6.337 4.191 -13.180 1.00 0.79 C ATOM 344 CG ASN A 24 5.798 4.424 -14.578 1.00 0.81 C ATOM 345 OD1 ASN A 24 5.747 3.539 -15.423 1.00 0.91 O ATOM 346 ND2 ASN A 24 5.362 5.635 -14.833 1.00 0.84 N ATOM 0 H ASN A 24 7.885 3.526 -11.288 1.00 0.81 H new ATOM 0 HA ASN A 24 6.330 2.036 -13.309 1.00 0.82 H new ATOM 0 HB2 ASN A 24 5.519 4.254 -12.462 1.00 0.79 H new ATOM 0 HB3 ASN A 24 7.044 4.982 -12.928 1.00 0.79 H new ATOM 0 HD21 ASN A 24 4.971 5.854 -15.749 1.00 0.84 H new ATOM 0 HD22 ASN A 24 5.414 6.357 -14.115 1.00 0.84 H new ATOM 353 N PRO A 25 8.323 1.749 -14.879 1.00 0.99 N ATOM 354 CA PRO A 25 9.379 1.652 -15.885 1.00 1.03 C ATOM 355 C PRO A 25 9.058 2.359 -17.214 1.00 1.05 C ATOM 356 O PRO A 25 9.948 2.465 -18.056 1.00 1.06 O ATOM 357 CB PRO A 25 9.537 0.142 -16.098 1.00 1.18 C ATOM 358 CG PRO A 25 8.106 -0.370 -15.927 1.00 1.27 C ATOM 359 CD PRO A 25 7.556 0.511 -14.814 1.00 1.15 C ATOM 0 HA PRO A 25 10.284 2.154 -15.542 1.00 1.03 H new ATOM 0 HB2 PRO A 25 9.935 -0.089 -17.086 1.00 1.18 H new ATOM 0 HB3 PRO A 25 10.216 -0.301 -15.370 1.00 1.18 H new ATOM 0 HG2 PRO A 25 7.528 -0.267 -16.846 1.00 1.27 H new ATOM 0 HG3 PRO A 25 8.085 -1.425 -15.654 1.00 1.27 H new ATOM 0 HD2 PRO A 25 6.492 0.701 -14.954 1.00 1.15 H new ATOM 0 HD3 PRO A 25 7.669 0.031 -13.842 1.00 1.15 H new ATOM 367 N GLY A 26 7.822 2.834 -17.426 1.00 1.08 N ATOM 368 CA GLY A 26 7.387 3.433 -18.692 1.00 1.12 C ATOM 369 C GLY A 26 7.657 4.935 -18.776 1.00 1.09 C ATOM 370 O GLY A 26 7.865 5.597 -17.766 1.00 1.22 O ATOM 0 H GLY A 26 7.091 2.812 -16.715 1.00 1.08 H new ATOM 0 HA2 GLY A 26 7.896 2.933 -19.516 1.00 1.12 H new ATOM 0 HA3 GLY A 26 6.319 3.255 -18.822 1.00 1.12 H new ATOM 374 N ASP A 27 7.619 5.472 -19.997 1.00 1.07 N ATOM 375 CA ASP A 27 7.770 6.906 -20.303 1.00 1.14 C ATOM 376 C ASP A 27 6.468 7.725 -20.156 1.00 1.14 C ATOM 377 O ASP A 27 6.483 8.944 -20.312 1.00 1.27 O ATOM 378 CB ASP A 27 8.382 7.053 -21.705 1.00 1.35 C ATOM 379 CG ASP A 27 9.870 6.708 -21.662 1.00 1.88 C ATOM 380 OD1 ASP A 27 10.672 7.580 -21.260 1.00 3.08 O ATOM 381 OD2 ASP A 27 10.228 5.530 -21.891 1.00 2.10 O ATOM 0 H ASP A 27 7.478 4.905 -20.833 1.00 1.07 H new ATOM 0 HA ASP A 27 8.440 7.331 -19.556 1.00 1.14 H new ATOM 0 HB2 ASP A 27 7.868 6.396 -22.406 1.00 1.35 H new ATOM 0 HB3 ASP A 27 8.247 8.073 -22.065 1.00 1.35 H new ATOM 386 N LEU A 28 5.355 7.078 -19.787 1.00 1.07 N ATOM 387 CA LEU A 28 4.099 7.724 -19.387 1.00 1.10 C ATOM 388 C LEU A 28 3.838 7.514 -17.878 1.00 0.97 C ATOM 389 O LEU A 28 4.399 6.579 -17.303 1.00 0.89 O ATOM 390 CB LEU A 28 2.977 7.248 -20.333 1.00 1.24 C ATOM 391 CG LEU A 28 2.549 5.766 -20.247 1.00 1.32 C ATOM 392 CD1 LEU A 28 1.622 5.488 -19.052 1.00 1.85 C ATOM 393 CD2 LEU A 28 1.797 5.393 -21.534 1.00 1.44 C ATOM 0 H LEU A 28 5.303 6.060 -19.758 1.00 1.07 H new ATOM 0 HA LEU A 28 4.149 8.807 -19.498 1.00 1.10 H new ATOM 0 HB2 LEU A 28 2.097 7.863 -20.146 1.00 1.24 H new ATOM 0 HB3 LEU A 28 3.294 7.447 -21.357 1.00 1.24 H new ATOM 0 HG LEU A 28 3.454 5.172 -20.118 1.00 1.32 H new ATOM 0 HD11 LEU A 28 1.352 4.432 -19.039 1.00 1.85 H new ATOM 0 HD12 LEU A 28 2.137 5.742 -18.125 1.00 1.85 H new ATOM 0 HD13 LEU A 28 0.720 6.092 -19.143 1.00 1.85 H new ATOM 0 HD21 LEU A 28 1.489 4.348 -21.486 1.00 1.44 H new ATOM 0 HD22 LEU A 28 0.916 6.026 -21.637 1.00 1.44 H new ATOM 0 HD23 LEU A 28 2.452 5.539 -22.393 1.00 1.44 H new ATOM 405 N PRO A 29 3.021 8.354 -17.211 1.00 1.00 N ATOM 406 CA PRO A 29 2.832 8.305 -15.764 1.00 0.93 C ATOM 407 C PRO A 29 1.819 7.208 -15.370 1.00 0.91 C ATOM 408 O PRO A 29 0.928 6.875 -16.154 1.00 1.04 O ATOM 409 CB PRO A 29 2.310 9.694 -15.383 1.00 1.02 C ATOM 410 CG PRO A 29 1.525 10.128 -16.620 1.00 1.16 C ATOM 411 CD PRO A 29 2.247 9.446 -17.785 1.00 1.15 C ATOM 0 HA PRO A 29 3.758 8.060 -15.244 1.00 0.93 H new ATOM 0 HB2 PRO A 29 1.676 9.656 -14.497 1.00 1.02 H new ATOM 0 HB3 PRO A 29 3.125 10.383 -15.162 1.00 1.02 H new ATOM 0 HG2 PRO A 29 0.483 9.815 -16.560 1.00 1.16 H new ATOM 0 HG3 PRO A 29 1.526 11.212 -16.731 1.00 1.16 H new ATOM 0 HD2 PRO A 29 1.532 9.071 -18.518 1.00 1.15 H new ATOM 0 HD3 PRO A 29 2.897 10.151 -18.304 1.00 1.15 H new ATOM 419 N LEU A 30 1.903 6.693 -14.137 1.00 0.80 N ATOM 420 CA LEU A 30 0.924 5.759 -13.559 1.00 0.83 C ATOM 421 C LEU A 30 0.019 6.458 -12.553 1.00 0.85 C ATOM 422 O LEU A 30 0.439 7.377 -11.859 1.00 1.07 O ATOM 423 CB LEU A 30 1.593 4.581 -12.842 1.00 0.89 C ATOM 424 CG LEU A 30 2.479 3.735 -13.751 1.00 1.00 C ATOM 425 CD1 LEU A 30 3.010 2.554 -12.945 1.00 1.84 C ATOM 426 CD2 LEU A 30 1.824 3.209 -15.033 1.00 1.89 C ATOM 0 H LEU A 30 2.667 6.917 -13.500 1.00 0.80 H new ATOM 0 HA LEU A 30 0.342 5.386 -14.402 1.00 0.83 H new ATOM 0 HB2 LEU A 30 2.194 4.963 -12.017 1.00 0.89 H new ATOM 0 HB3 LEU A 30 0.821 3.946 -12.407 1.00 0.89 H new ATOM 0 HG LEU A 30 3.266 4.406 -14.094 1.00 1.00 H new ATOM 0 HD11 LEU A 30 3.646 1.937 -13.580 1.00 1.84 H new ATOM 0 HD12 LEU A 30 3.590 2.922 -12.099 1.00 1.84 H new ATOM 0 HD13 LEU A 30 2.174 1.957 -12.580 1.00 1.84 H new ATOM 0 HD21 LEU A 30 2.549 2.622 -15.598 1.00 1.89 H new ATOM 0 HD22 LEU A 30 0.971 2.581 -14.775 1.00 1.89 H new ATOM 0 HD23 LEU A 30 1.485 4.049 -15.640 1.00 1.89 H new ATOM 438 N ARG A 31 -1.181 5.900 -12.394 1.00 0.72 N ATOM 439 CA ARG A 31 -2.124 6.213 -11.308 1.00 0.66 C ATOM 440 C ARG A 31 -2.610 4.908 -10.672 1.00 0.55 C ATOM 441 O ARG A 31 -3.237 4.091 -11.351 1.00 0.51 O ATOM 442 CB ARG A 31 -3.276 7.089 -11.831 1.00 0.77 C ATOM 443 CG ARG A 31 -4.101 7.727 -10.695 1.00 0.84 C ATOM 444 CD ARG A 31 -4.919 8.960 -11.118 1.00 0.98 C ATOM 445 NE ARG A 31 -4.086 10.165 -11.328 1.00 1.76 N ATOM 446 CZ ARG A 31 -4.053 10.977 -12.377 1.00 1.83 C ATOM 447 NH1 ARG A 31 -4.790 10.775 -13.451 1.00 1.71 N ATOM 448 NH2 ARG A 31 -3.258 12.018 -12.358 1.00 3.02 N ATOM 0 H ARG A 31 -1.540 5.194 -13.036 1.00 0.72 H new ATOM 0 HA ARG A 31 -1.626 6.794 -10.532 1.00 0.66 H new ATOM 0 HB2 ARG A 31 -2.869 7.876 -12.466 1.00 0.77 H new ATOM 0 HB3 ARG A 31 -3.933 6.484 -12.456 1.00 0.77 H new ATOM 0 HG2 ARG A 31 -4.780 6.977 -10.290 1.00 0.84 H new ATOM 0 HG3 ARG A 31 -3.426 8.013 -9.889 1.00 0.84 H new ATOM 0 HD2 ARG A 31 -5.458 8.733 -12.038 1.00 0.98 H new ATOM 0 HD3 ARG A 31 -5.667 9.172 -10.354 1.00 0.98 H new ATOM 0 HE ARG A 31 -3.453 10.403 -10.565 1.00 1.76 H new ATOM 0 HH11 ARG A 31 -5.415 9.970 -13.497 1.00 1.71 H new ATOM 0 HH12 ARG A 31 -4.735 11.423 -14.236 1.00 1.71 H new ATOM 0 HH21 ARG A 31 -2.672 12.198 -11.542 1.00 3.02 H new ATOM 0 HH22 ARG A 31 -3.225 12.649 -13.159 1.00 3.02 H new ATOM 462 N LEU A 32 -2.255 4.693 -9.405 1.00 0.55 N ATOM 463 CA LEU A 32 -2.466 3.489 -8.595 1.00 0.47 C ATOM 464 C LEU A 32 -3.745 3.664 -7.770 1.00 0.48 C ATOM 465 O LEU A 32 -3.797 4.516 -6.891 1.00 0.57 O ATOM 466 CB LEU A 32 -1.220 3.318 -7.698 1.00 0.48 C ATOM 467 CG LEU A 32 -1.289 2.176 -6.659 1.00 0.47 C ATOM 468 CD1 LEU A 32 -1.215 0.795 -7.316 1.00 0.58 C ATOM 469 CD2 LEU A 32 -0.131 2.315 -5.659 1.00 0.66 C ATOM 0 H LEU A 32 -1.772 5.416 -8.873 1.00 0.55 H new ATOM 0 HA LEU A 32 -2.591 2.597 -9.208 1.00 0.47 H new ATOM 0 HB2 LEU A 32 -0.355 3.148 -8.339 1.00 0.48 H new ATOM 0 HB3 LEU A 32 -1.046 4.255 -7.169 1.00 0.48 H new ATOM 0 HG LEU A 32 -2.249 2.258 -6.148 1.00 0.47 H new ATOM 0 HD11 LEU A 32 -1.267 0.023 -6.548 1.00 0.58 H new ATOM 0 HD12 LEU A 32 -2.049 0.676 -8.007 1.00 0.58 H new ATOM 0 HD13 LEU A 32 -0.276 0.701 -7.861 1.00 0.58 H new ATOM 0 HD21 LEU A 32 -0.183 1.508 -4.928 1.00 0.66 H new ATOM 0 HD22 LEU A 32 0.818 2.261 -6.192 1.00 0.66 H new ATOM 0 HD23 LEU A 32 -0.206 3.274 -5.147 1.00 0.66 H new ATOM 481 N VAL A 33 -4.764 2.858 -8.041 1.00 0.47 N ATOM 482 CA VAL A 33 -6.142 3.060 -7.548 1.00 0.49 C ATOM 483 C VAL A 33 -6.576 2.027 -6.496 1.00 0.50 C ATOM 484 O VAL A 33 -7.618 2.194 -5.866 1.00 0.54 O ATOM 485 CB VAL A 33 -7.155 3.103 -8.722 1.00 0.51 C ATOM 486 CG1 VAL A 33 -6.792 4.200 -9.744 1.00 0.54 C ATOM 487 CG2 VAL A 33 -7.281 1.771 -9.485 1.00 0.55 C ATOM 0 H VAL A 33 -4.665 2.025 -8.621 1.00 0.47 H new ATOM 0 HA VAL A 33 -6.139 4.027 -7.045 1.00 0.49 H new ATOM 0 HB VAL A 33 -8.112 3.318 -8.246 1.00 0.51 H new ATOM 0 HG11 VAL A 33 -7.523 4.201 -10.552 1.00 0.54 H new ATOM 0 HG12 VAL A 33 -6.795 5.172 -9.251 1.00 0.54 H new ATOM 0 HG13 VAL A 33 -5.801 4.003 -10.152 1.00 0.54 H new ATOM 0 HG21 VAL A 33 -8.007 1.880 -10.290 1.00 0.55 H new ATOM 0 HG22 VAL A 33 -6.312 1.499 -9.904 1.00 0.55 H new ATOM 0 HG23 VAL A 33 -7.613 0.990 -8.801 1.00 0.55 H new ATOM 497 N GLY A 34 -5.794 0.956 -6.291 1.00 0.51 N ATOM 498 CA GLY A 34 -6.079 -0.063 -5.280 1.00 0.54 C ATOM 499 C GLY A 34 -5.146 -1.262 -5.375 1.00 0.53 C ATOM 500 O GLY A 34 -4.070 -1.187 -5.971 1.00 0.55 O ATOM 0 H GLY A 34 -4.944 0.776 -6.826 1.00 0.51 H new ATOM 0 HA2 GLY A 34 -5.993 0.381 -4.288 1.00 0.54 H new ATOM 0 HA3 GLY A 34 -7.110 -0.400 -5.390 1.00 0.54 H new ATOM 504 N ALA A 35 -5.573 -2.381 -4.794 1.00 0.57 N ATOM 505 CA ALA A 35 -4.843 -3.647 -4.842 1.00 0.57 C ATOM 506 C ALA A 35 -5.789 -4.860 -4.758 1.00 0.62 C ATOM 507 O ALA A 35 -6.998 -4.677 -4.594 1.00 0.80 O ATOM 508 CB ALA A 35 -3.814 -3.631 -3.704 1.00 0.78 C ATOM 0 H ALA A 35 -6.446 -2.435 -4.270 1.00 0.57 H new ATOM 0 HA ALA A 35 -4.332 -3.750 -5.799 1.00 0.57 H new ATOM 0 HB1 ALA A 35 -3.250 -4.564 -3.710 1.00 0.78 H new ATOM 0 HB2 ALA A 35 -3.131 -2.793 -3.843 1.00 0.78 H new ATOM 0 HB3 ALA A 35 -4.329 -3.525 -2.749 1.00 0.78 H new ATOM 514 N ARG A 36 -5.252 -6.091 -4.792 1.00 0.62 N ATOM 515 CA ARG A 36 -6.002 -7.334 -4.555 1.00 0.71 C ATOM 516 C ARG A 36 -5.028 -8.378 -4.058 1.00 0.67 C ATOM 517 O ARG A 36 -3.875 -8.320 -4.447 1.00 0.82 O ATOM 518 CB ARG A 36 -6.666 -7.878 -5.837 1.00 1.03 C ATOM 519 CG ARG A 36 -8.033 -7.281 -6.170 1.00 1.30 C ATOM 520 CD ARG A 36 -8.997 -7.335 -4.961 1.00 2.48 C ATOM 521 NE ARG A 36 -10.379 -7.729 -5.297 1.00 3.53 N ATOM 522 CZ ARG A 36 -11.293 -8.107 -4.399 1.00 4.94 C ATOM 523 NH1 ARG A 36 -11.081 -8.082 -3.106 1.00 5.92 N ATOM 524 NH2 ARG A 36 -12.483 -8.537 -4.752 1.00 6.05 N ATOM 0 H ARG A 36 -4.264 -6.252 -4.989 1.00 0.62 H new ATOM 0 HA ARG A 36 -6.790 -7.118 -3.833 1.00 0.71 H new ATOM 0 HB2 ARG A 36 -5.995 -7.699 -6.677 1.00 1.03 H new ATOM 0 HB3 ARG A 36 -6.774 -8.958 -5.740 1.00 1.03 H new ATOM 0 HG2 ARG A 36 -7.909 -6.246 -6.489 1.00 1.30 H new ATOM 0 HG3 ARG A 36 -8.471 -7.823 -7.008 1.00 1.30 H new ATOM 0 HD2 ARG A 36 -8.601 -8.037 -4.228 1.00 2.48 H new ATOM 0 HD3 ARG A 36 -9.018 -6.355 -4.485 1.00 2.48 H new ATOM 0 HE ARG A 36 -10.654 -7.712 -6.279 1.00 3.53 H new ATOM 0 HH11 ARG A 36 -10.183 -7.763 -2.743 1.00 5.92 H new ATOM 0 HH12 ARG A 36 -11.814 -8.382 -2.463 1.00 5.92 H new ATOM 0 HH21 ARG A 36 -12.734 -8.590 -5.739 1.00 6.05 H new ATOM 0 HH22 ARG A 36 -13.156 -8.818 -4.039 1.00 6.05 H new ATOM 538 N THR A 37 -5.470 -9.324 -3.227 1.00 0.72 N ATOM 539 CA THR A 37 -4.612 -10.277 -2.515 1.00 0.65 C ATOM 540 C THR A 37 -5.477 -11.450 -2.026 1.00 0.70 C ATOM 541 O THR A 37 -6.666 -11.221 -1.793 1.00 0.73 O ATOM 542 CB THR A 37 -3.904 -9.558 -1.359 1.00 0.57 C ATOM 543 OG1 THR A 37 -3.179 -10.518 -0.654 1.00 0.62 O ATOM 544 CG2 THR A 37 -4.832 -8.847 -0.367 1.00 0.57 C ATOM 0 H THR A 37 -6.461 -9.453 -3.024 1.00 0.72 H new ATOM 0 HA THR A 37 -3.841 -10.676 -3.174 1.00 0.65 H new ATOM 0 HB THR A 37 -3.289 -8.778 -1.808 1.00 0.57 H new ATOM 0 HG1 THR A 37 -2.374 -10.757 -1.160 1.00 0.62 H new ATOM 0 HG21 THR A 37 -4.236 -8.370 0.411 1.00 0.57 H new ATOM 0 HG22 THR A 37 -5.415 -8.090 -0.892 1.00 0.57 H new ATOM 0 HG23 THR A 37 -5.506 -9.574 0.086 1.00 0.57 H new ATOM 552 N PRO A 38 -4.951 -12.678 -1.819 1.00 0.80 N ATOM 553 CA PRO A 38 -5.729 -13.775 -1.247 1.00 0.85 C ATOM 554 C PRO A 38 -5.901 -13.706 0.270 1.00 0.85 C ATOM 555 O PRO A 38 -6.647 -14.518 0.807 1.00 1.11 O ATOM 556 CB PRO A 38 -4.968 -15.029 -1.647 1.00 0.93 C ATOM 557 CG PRO A 38 -3.513 -14.591 -1.681 1.00 0.95 C ATOM 558 CD PRO A 38 -3.630 -13.164 -2.207 1.00 0.93 C ATOM 0 HA PRO A 38 -6.752 -13.743 -1.623 1.00 0.85 H new ATOM 0 HB2 PRO A 38 -5.124 -15.835 -0.930 1.00 0.93 H new ATOM 0 HB3 PRO A 38 -5.295 -15.400 -2.619 1.00 0.93 H new ATOM 0 HG2 PRO A 38 -3.052 -14.627 -0.694 1.00 0.95 H new ATOM 0 HG3 PRO A 38 -2.911 -15.221 -2.337 1.00 0.95 H new ATOM 0 HD2 PRO A 38 -2.847 -12.532 -1.788 1.00 0.93 H new ATOM 0 HD3 PRO A 38 -3.512 -13.141 -3.290 1.00 0.93 H new ATOM 566 N VAL A 39 -5.216 -12.780 0.951 1.00 0.67 N ATOM 567 CA VAL A 39 -5.248 -12.657 2.438 1.00 0.69 C ATOM 568 C VAL A 39 -6.197 -11.588 3.010 1.00 0.69 C ATOM 569 O VAL A 39 -6.344 -11.507 4.228 1.00 0.82 O ATOM 570 CB VAL A 39 -3.847 -12.493 3.075 1.00 0.76 C ATOM 571 CG1 VAL A 39 -2.901 -13.565 2.520 1.00 0.89 C ATOM 572 CG2 VAL A 39 -3.260 -11.084 2.892 1.00 0.73 C ATOM 0 H VAL A 39 -4.619 -12.088 0.499 1.00 0.67 H new ATOM 0 HA VAL A 39 -5.665 -13.622 2.725 1.00 0.69 H new ATOM 0 HB VAL A 39 -3.960 -12.628 4.151 1.00 0.76 H new ATOM 0 HG11 VAL A 39 -1.915 -13.448 2.970 1.00 0.89 H new ATOM 0 HG12 VAL A 39 -3.293 -14.554 2.757 1.00 0.89 H new ATOM 0 HG13 VAL A 39 -2.822 -13.456 1.438 1.00 0.89 H new ATOM 0 HG21 VAL A 39 -2.277 -11.035 3.361 1.00 0.73 H new ATOM 0 HG22 VAL A 39 -3.166 -10.864 1.829 1.00 0.73 H new ATOM 0 HG23 VAL A 39 -3.920 -10.352 3.356 1.00 0.73 H new ATOM 582 N ALA A 40 -6.865 -10.790 2.170 1.00 0.64 N ATOM 583 CA ALA A 40 -7.789 -9.725 2.578 1.00 0.64 C ATOM 584 C ALA A 40 -8.830 -9.462 1.482 1.00 0.90 C ATOM 585 O ALA A 40 -8.586 -9.773 0.320 1.00 1.29 O ATOM 586 CB ALA A 40 -6.990 -8.455 2.910 1.00 0.82 C ATOM 0 H ALA A 40 -6.775 -10.869 1.157 1.00 0.64 H new ATOM 0 HA ALA A 40 -8.331 -10.038 3.471 1.00 0.64 H new ATOM 0 HB1 ALA A 40 -7.675 -7.663 3.213 1.00 0.82 H new ATOM 0 HB2 ALA A 40 -6.295 -8.665 3.723 1.00 0.82 H new ATOM 0 HB3 ALA A 40 -6.433 -8.135 2.030 1.00 0.82 H new ATOM 592 N GLU A 41 -9.996 -8.927 1.838 1.00 0.93 N ATOM 593 CA GLU A 41 -11.042 -8.598 0.870 1.00 1.30 C ATOM 594 C GLU A 41 -10.909 -7.129 0.449 1.00 1.28 C ATOM 595 O GLU A 41 -10.400 -6.819 -0.634 1.00 1.62 O ATOM 596 CB GLU A 41 -12.405 -8.958 1.488 1.00 1.55 C ATOM 597 CG GLU A 41 -13.596 -8.739 0.548 1.00 2.01 C ATOM 598 CD GLU A 41 -13.437 -9.492 -0.776 1.00 3.01 C ATOM 599 OE1 GLU A 41 -13.258 -10.729 -0.721 1.00 3.08 O ATOM 600 OE2 GLU A 41 -13.359 -8.827 -1.834 1.00 4.45 O ATOM 0 H GLU A 41 -10.243 -8.709 2.803 1.00 0.93 H new ATOM 0 HA GLU A 41 -10.945 -9.178 -0.048 1.00 1.30 H new ATOM 0 HB2 GLU A 41 -12.387 -10.003 1.797 1.00 1.55 H new ATOM 0 HB3 GLU A 41 -12.552 -8.362 2.389 1.00 1.55 H new ATOM 0 HG2 GLU A 41 -14.511 -9.066 1.042 1.00 2.01 H new ATOM 0 HG3 GLU A 41 -13.706 -7.673 0.347 1.00 2.01 H new ATOM 607 N ARG A 42 -11.309 -6.215 1.337 1.00 1.05 N ATOM 608 CA ARG A 42 -11.206 -4.780 1.117 1.00 1.01 C ATOM 609 C ARG A 42 -9.770 -4.343 1.426 1.00 0.89 C ATOM 610 O ARG A 42 -9.349 -4.327 2.579 1.00 1.04 O ATOM 611 CB ARG A 42 -12.259 -4.061 1.979 1.00 1.05 C ATOM 612 CG ARG A 42 -12.871 -2.847 1.271 1.00 1.45 C ATOM 613 CD ARG A 42 -13.936 -2.236 2.188 1.00 1.58 C ATOM 614 NE ARG A 42 -14.774 -1.241 1.488 1.00 2.60 N ATOM 615 CZ ARG A 42 -14.838 0.068 1.724 1.00 3.27 C ATOM 616 NH1 ARG A 42 -14.071 0.675 2.598 1.00 3.41 N ATOM 617 NH2 ARG A 42 -15.707 0.798 1.058 1.00 4.52 N ATOM 0 H ARG A 42 -11.718 -6.460 2.239 1.00 1.05 H new ATOM 0 HA ARG A 42 -11.413 -4.515 0.080 1.00 1.01 H new ATOM 0 HB2 ARG A 42 -13.051 -4.763 2.239 1.00 1.05 H new ATOM 0 HB3 ARG A 42 -11.800 -3.739 2.913 1.00 1.05 H new ATOM 0 HG2 ARG A 42 -12.099 -2.112 1.044 1.00 1.45 H new ATOM 0 HG3 ARG A 42 -13.315 -3.146 0.321 1.00 1.45 H new ATOM 0 HD2 ARG A 42 -14.571 -3.029 2.583 1.00 1.58 H new ATOM 0 HD3 ARG A 42 -13.450 -1.763 3.041 1.00 1.58 H new ATOM 0 HE ARG A 42 -15.370 -1.596 0.740 1.00 2.60 H new ATOM 0 HH11 ARG A 42 -13.387 0.141 3.134 1.00 3.41 H new ATOM 0 HH12 ARG A 42 -14.159 1.681 2.742 1.00 3.41 H new ATOM 0 HH21 ARG A 42 -16.321 0.360 0.371 1.00 4.52 H new ATOM 0 HH22 ARG A 42 -15.767 1.802 1.229 1.00 4.52 H new ATOM 631 N VAL A 43 -9.015 -4.019 0.387 1.00 1.00 N ATOM 632 CA VAL A 43 -7.683 -3.408 0.500 1.00 1.04 C ATOM 633 C VAL A 43 -7.746 -1.989 -0.053 1.00 1.24 C ATOM 634 O VAL A 43 -8.214 -1.764 -1.170 1.00 1.68 O ATOM 635 CB VAL A 43 -6.545 -4.259 -0.108 1.00 1.42 C ATOM 636 CG1 VAL A 43 -6.831 -4.711 -1.541 1.00 1.88 C ATOM 637 CG2 VAL A 43 -5.202 -3.506 -0.078 1.00 1.49 C ATOM 0 H VAL A 43 -9.308 -4.173 -0.578 1.00 1.00 H new ATOM 0 HA VAL A 43 -7.415 -3.363 1.556 1.00 1.04 H new ATOM 0 HB VAL A 43 -6.484 -5.149 0.519 1.00 1.42 H new ATOM 0 HG11 VAL A 43 -5.994 -5.304 -1.909 1.00 1.88 H new ATOM 0 HG12 VAL A 43 -7.738 -5.315 -1.558 1.00 1.88 H new ATOM 0 HG13 VAL A 43 -6.965 -3.837 -2.178 1.00 1.88 H new ATOM 0 HG21 VAL A 43 -4.424 -4.133 -0.513 1.00 1.49 H new ATOM 0 HG22 VAL A 43 -5.289 -2.584 -0.653 1.00 1.49 H new ATOM 0 HG23 VAL A 43 -4.942 -3.267 0.953 1.00 1.49 H new ATOM 647 N GLU A 44 -7.329 -1.039 0.783 1.00 0.98 N ATOM 648 CA GLU A 44 -7.615 0.390 0.637 1.00 0.84 C ATOM 649 C GLU A 44 -6.351 1.209 0.858 1.00 0.73 C ATOM 650 O GLU A 44 -5.718 1.110 1.910 1.00 0.73 O ATOM 651 CB GLU A 44 -8.659 0.828 1.674 1.00 0.81 C ATOM 652 CG GLU A 44 -10.017 0.184 1.409 1.00 1.14 C ATOM 653 CD GLU A 44 -11.020 0.565 2.483 1.00 1.34 C ATOM 654 OE1 GLU A 44 -11.323 1.771 2.635 1.00 1.78 O ATOM 655 OE2 GLU A 44 -11.596 -0.369 3.086 1.00 2.63 O ATOM 0 H GLU A 44 -6.765 -1.248 1.607 1.00 0.98 H new ATOM 0 HA GLU A 44 -7.994 0.557 -0.371 1.00 0.84 H new ATOM 0 HB2 GLU A 44 -8.316 0.558 2.673 1.00 0.81 H new ATOM 0 HB3 GLU A 44 -8.760 1.913 1.654 1.00 0.81 H new ATOM 0 HG2 GLU A 44 -10.388 0.497 0.433 1.00 1.14 H new ATOM 0 HG3 GLU A 44 -9.909 -0.900 1.376 1.00 1.14 H new ATOM 662 N LEU A 45 -5.969 2.019 -0.134 1.00 0.74 N ATOM 663 CA LEU A 45 -4.774 2.836 -0.047 1.00 0.71 C ATOM 664 C LEU A 45 -5.044 4.093 0.787 1.00 0.66 C ATOM 665 O LEU A 45 -5.928 4.902 0.491 1.00 0.64 O ATOM 666 CB LEU A 45 -4.259 3.099 -1.470 1.00 0.76 C ATOM 667 CG LEU A 45 -2.780 3.527 -1.463 1.00 0.78 C ATOM 668 CD1 LEU A 45 -2.070 3.076 -2.734 1.00 0.80 C ATOM 669 CD2 LEU A 45 -2.669 5.043 -1.412 1.00 0.82 C ATOM 0 H LEU A 45 -6.481 2.120 -1.010 1.00 0.74 H new ATOM 0 HA LEU A 45 -3.974 2.321 0.485 1.00 0.71 H new ATOM 0 HB2 LEU A 45 -4.376 2.198 -2.073 1.00 0.76 H new ATOM 0 HB3 LEU A 45 -4.862 3.877 -1.939 1.00 0.76 H new ATOM 0 HG LEU A 45 -2.321 3.067 -0.588 1.00 0.78 H new ATOM 0 HD11 LEU A 45 -1.028 3.393 -2.700 1.00 0.80 H new ATOM 0 HD12 LEU A 45 -2.117 1.990 -2.811 1.00 0.80 H new ATOM 0 HD13 LEU A 45 -2.557 3.523 -3.601 1.00 0.80 H new ATOM 0 HD21 LEU A 45 -1.618 5.331 -1.408 1.00 0.82 H new ATOM 0 HD22 LEU A 45 -3.159 5.473 -2.285 1.00 0.82 H new ATOM 0 HD23 LEU A 45 -3.150 5.413 -0.507 1.00 0.82 H new ATOM 681 N HIS A 46 -4.247 4.236 1.838 1.00 0.65 N ATOM 682 CA HIS A 46 -4.214 5.369 2.750 1.00 0.64 C ATOM 683 C HIS A 46 -2.956 6.242 2.574 1.00 0.60 C ATOM 684 O HIS A 46 -1.905 5.796 2.105 1.00 0.59 O ATOM 685 CB HIS A 46 -4.317 4.863 4.203 1.00 0.71 C ATOM 686 CG HIS A 46 -5.695 4.563 4.750 1.00 0.74 C ATOM 687 ND1 HIS A 46 -6.117 4.932 6.032 1.00 0.82 N ATOM 688 CD2 HIS A 46 -6.735 3.933 4.125 1.00 0.79 C ATOM 689 CE1 HIS A 46 -7.372 4.479 6.156 1.00 0.88 C ATOM 690 NE2 HIS A 46 -7.763 3.859 5.032 1.00 0.84 N ATOM 0 H HIS A 46 -3.566 3.520 2.091 1.00 0.65 H new ATOM 0 HA HIS A 46 -5.068 6.004 2.514 1.00 0.64 H new ATOM 0 HB2 HIS A 46 -3.720 3.955 4.284 1.00 0.71 H new ATOM 0 HB3 HIS A 46 -3.855 5.608 4.851 1.00 0.71 H new ATOM 0 HD1 HIS A 46 -5.578 5.443 6.731 1.00 0.82 H new ATOM 0 HD2 HIS A 46 -6.746 3.564 3.110 1.00 0.79 H new ATOM 0 HE1 HIS A 46 -7.984 4.597 7.038 1.00 0.88 H new ATOM 698 N GLU A 47 -3.100 7.492 3.003 1.00 0.62 N ATOM 699 CA GLU A 47 -2.076 8.527 3.129 1.00 0.56 C ATOM 700 C GLU A 47 -1.681 8.753 4.600 1.00 0.62 C ATOM 701 O GLU A 47 -2.222 8.139 5.527 1.00 0.77 O ATOM 702 CB GLU A 47 -2.607 9.843 2.520 1.00 0.63 C ATOM 703 CG GLU A 47 -3.864 10.382 3.244 1.00 0.77 C ATOM 704 CD GLU A 47 -4.171 11.856 2.992 1.00 1.10 C ATOM 705 OE1 GLU A 47 -3.240 12.592 2.599 1.00 1.69 O ATOM 706 OE2 GLU A 47 -5.321 12.258 3.293 1.00 2.03 O ATOM 0 H GLU A 47 -4.014 7.837 3.297 1.00 0.62 H new ATOM 0 HA GLU A 47 -1.186 8.199 2.593 1.00 0.56 H new ATOM 0 HB2 GLU A 47 -1.821 10.597 2.558 1.00 0.63 H new ATOM 0 HB3 GLU A 47 -2.842 9.681 1.468 1.00 0.63 H new ATOM 0 HG2 GLU A 47 -4.725 9.789 2.935 1.00 0.77 H new ATOM 0 HG3 GLU A 47 -3.740 10.230 4.316 1.00 0.77 H new ATOM 713 N THR A 48 -0.786 9.718 4.828 1.00 0.74 N ATOM 714 CA THR A 48 -0.655 10.462 6.081 1.00 0.97 C ATOM 715 C THR A 48 -0.554 11.936 5.708 1.00 1.19 C ATOM 716 O THR A 48 0.517 12.404 5.320 1.00 1.37 O ATOM 717 CB THR A 48 0.568 10.018 6.879 1.00 1.41 C ATOM 718 OG1 THR A 48 0.490 8.625 7.026 1.00 1.49 O ATOM 719 CG2 THR A 48 0.595 10.640 8.275 1.00 1.67 C ATOM 0 H THR A 48 -0.111 10.012 4.122 1.00 0.74 H new ATOM 0 HA THR A 48 -1.517 10.276 6.722 1.00 0.97 H new ATOM 0 HB THR A 48 1.466 10.334 6.349 1.00 1.41 H new ATOM 0 HG1 THR A 48 0.484 8.203 6.142 1.00 1.49 H new ATOM 0 HG21 THR A 48 1.482 10.298 8.809 1.00 1.67 H new ATOM 0 HG22 THR A 48 0.620 11.726 8.189 1.00 1.67 H new ATOM 0 HG23 THR A 48 -0.298 10.340 8.824 1.00 1.67 H new ATOM 727 N PHE A 49 -1.658 12.675 5.811 1.00 1.47 N ATOM 728 CA PHE A 49 -1.662 14.116 5.572 1.00 1.65 C ATOM 729 C PHE A 49 -0.989 14.856 6.729 1.00 1.55 C ATOM 730 O PHE A 49 -1.109 14.454 7.885 1.00 1.50 O ATOM 731 CB PHE A 49 -3.092 14.647 5.363 1.00 1.65 C ATOM 732 CG PHE A 49 -4.049 14.441 6.526 1.00 1.39 C ATOM 733 CD1 PHE A 49 -4.111 15.373 7.579 1.00 2.41 C ATOM 734 CD2 PHE A 49 -4.868 13.297 6.567 1.00 2.07 C ATOM 735 CE1 PHE A 49 -4.975 15.161 8.667 1.00 2.45 C ATOM 736 CE2 PHE A 49 -5.727 13.079 7.654 1.00 1.94 C ATOM 737 CZ PHE A 49 -5.780 14.011 8.701 1.00 1.27 C ATOM 0 H PHE A 49 -2.570 12.293 6.061 1.00 1.47 H new ATOM 0 HA PHE A 49 -1.096 14.300 4.659 1.00 1.65 H new ATOM 0 HB2 PHE A 49 -3.036 15.714 5.148 1.00 1.65 H new ATOM 0 HB3 PHE A 49 -3.513 14.166 4.480 1.00 1.65 H new ATOM 0 HD1 PHE A 49 -3.491 16.257 7.551 1.00 2.41 H new ATOM 0 HD2 PHE A 49 -4.835 12.583 5.757 1.00 2.07 H new ATOM 0 HE1 PHE A 49 -5.020 15.879 9.473 1.00 2.45 H new ATOM 0 HE2 PHE A 49 -6.347 12.195 7.685 1.00 1.94 H new ATOM 0 HZ PHE A 49 -6.443 13.843 9.537 1.00 1.27 H new ATOM 747 N MET A 50 -0.401 16.017 6.434 1.00 1.64 N ATOM 748 CA MET A 50 -0.187 17.072 7.435 1.00 1.70 C ATOM 749 C MET A 50 -1.287 18.136 7.348 1.00 1.69 C ATOM 750 O MET A 50 -1.925 18.278 6.299 1.00 2.15 O ATOM 751 CB MET A 50 1.225 17.675 7.338 1.00 2.02 C ATOM 752 CG MET A 50 1.465 18.551 6.100 1.00 3.35 C ATOM 753 SD MET A 50 2.992 19.524 6.178 1.00 3.88 S ATOM 754 CE MET A 50 4.202 18.203 5.908 1.00 3.07 C ATOM 0 H MET A 50 -0.061 16.255 5.502 1.00 1.64 H new ATOM 0 HA MET A 50 -0.254 16.617 8.423 1.00 1.70 H new ATOM 0 HB2 MET A 50 1.412 18.272 8.231 1.00 2.02 H new ATOM 0 HB3 MET A 50 1.953 16.863 7.339 1.00 2.02 H new ATOM 0 HG2 MET A 50 1.496 17.914 5.216 1.00 3.35 H new ATOM 0 HG3 MET A 50 0.620 19.228 5.976 1.00 3.35 H new ATOM 0 HE1 MET A 50 4.892 18.164 6.751 1.00 3.07 H new ATOM 0 HE2 MET A 50 3.684 17.248 5.819 1.00 3.07 H new ATOM 0 HE3 MET A 50 4.759 18.401 4.992 1.00 3.07 H new ATOM 764 N ARG A 51 -1.487 18.877 8.441 1.00 1.53 N ATOM 765 CA ARG A 51 -2.417 20.007 8.602 1.00 1.54 C ATOM 766 C ARG A 51 -2.256 20.634 9.993 1.00 1.43 C ATOM 767 O ARG A 51 -1.739 19.998 10.916 1.00 1.44 O ATOM 768 CB ARG A 51 -3.882 19.574 8.333 1.00 1.71 C ATOM 769 CG ARG A 51 -4.372 19.977 6.925 1.00 2.80 C ATOM 770 CD ARG A 51 -5.123 18.840 6.215 1.00 3.03 C ATOM 771 NE ARG A 51 -5.460 19.190 4.821 1.00 4.30 N ATOM 772 CZ ARG A 51 -4.654 19.080 3.765 1.00 5.45 C ATOM 773 NH1 ARG A 51 -3.407 18.670 3.874 1.00 5.94 N ATOM 774 NH2 ARG A 51 -5.095 19.388 2.560 1.00 6.63 N ATOM 0 H ARG A 51 -0.968 18.693 9.300 1.00 1.53 H new ATOM 0 HA ARG A 51 -2.170 20.766 7.860 1.00 1.54 H new ATOM 0 HB2 ARG A 51 -3.964 18.493 8.446 1.00 1.71 H new ATOM 0 HB3 ARG A 51 -4.533 20.024 9.083 1.00 1.71 H new ATOM 0 HG2 ARG A 51 -5.026 20.845 7.006 1.00 2.80 H new ATOM 0 HG3 ARG A 51 -3.517 20.278 6.319 1.00 2.80 H new ATOM 0 HD2 ARG A 51 -4.511 17.938 6.225 1.00 3.03 H new ATOM 0 HD3 ARG A 51 -6.037 18.611 6.763 1.00 3.03 H new ATOM 0 HE ARG A 51 -6.399 19.550 4.650 1.00 4.30 H new ATOM 0 HH11 ARG A 51 -3.029 18.424 4.789 1.00 5.94 H new ATOM 0 HH12 ARG A 51 -2.819 18.598 3.043 1.00 5.94 H new ATOM 0 HH21 ARG A 51 -6.054 19.711 2.435 1.00 6.63 H new ATOM 0 HH22 ARG A 51 -4.476 19.303 1.753 1.00 6.63 H new ATOM 788 N GLU A 52 -2.727 21.867 10.137 1.00 1.44 N ATOM 789 CA GLU A 52 -2.860 22.546 11.423 1.00 1.37 C ATOM 790 C GLU A 52 -4.290 22.366 11.929 1.00 1.38 C ATOM 791 O GLU A 52 -5.206 22.159 11.136 1.00 1.52 O ATOM 792 CB GLU A 52 -2.487 24.025 11.284 1.00 1.54 C ATOM 793 CG GLU A 52 -0.976 24.238 11.434 1.00 1.86 C ATOM 794 CD GLU A 52 -0.139 23.558 10.351 1.00 2.56 C ATOM 795 OE1 GLU A 52 0.172 22.351 10.473 1.00 2.84 O ATOM 796 OE2 GLU A 52 0.342 24.232 9.420 1.00 3.70 O ATOM 0 H GLU A 52 -3.034 22.435 9.348 1.00 1.44 H new ATOM 0 HA GLU A 52 -2.176 22.111 12.151 1.00 1.37 H new ATOM 0 HB2 GLU A 52 -2.813 24.394 10.312 1.00 1.54 H new ATOM 0 HB3 GLU A 52 -3.015 24.607 12.039 1.00 1.54 H new ATOM 0 HG2 GLU A 52 -0.768 25.308 11.421 1.00 1.86 H new ATOM 0 HG3 GLU A 52 -0.662 23.864 12.409 1.00 1.86 H new ATOM 803 N VAL A 53 -4.461 22.433 13.250 1.00 1.36 N ATOM 804 CA VAL A 53 -5.761 22.265 13.930 1.00 1.47 C ATOM 805 C VAL A 53 -5.932 23.385 14.961 1.00 1.71 C ATOM 806 O VAL A 53 -6.299 24.504 14.613 1.00 2.87 O ATOM 807 CB VAL A 53 -5.948 20.826 14.488 1.00 1.50 C ATOM 808 CG1 VAL A 53 -7.362 20.628 15.067 1.00 2.06 C ATOM 809 CG2 VAL A 53 -5.726 19.739 13.418 1.00 2.22 C ATOM 0 H VAL A 53 -3.691 22.608 13.895 1.00 1.36 H new ATOM 0 HA VAL A 53 -6.575 22.366 13.212 1.00 1.47 H new ATOM 0 HB VAL A 53 -5.195 20.720 15.269 1.00 1.50 H new ATOM 0 HG11 VAL A 53 -7.460 19.612 15.449 1.00 2.06 H new ATOM 0 HG12 VAL A 53 -7.526 21.338 15.878 1.00 2.06 H new ATOM 0 HG13 VAL A 53 -8.102 20.794 14.284 1.00 2.06 H new ATOM 0 HG21 VAL A 53 -5.870 18.755 13.864 1.00 2.22 H new ATOM 0 HG22 VAL A 53 -6.440 19.877 12.606 1.00 2.22 H new ATOM 0 HG23 VAL A 53 -4.712 19.816 13.027 1.00 2.22 H new ATOM 819 N GLU A 54 -5.596 23.106 16.217 1.00 1.47 N ATOM 820 CA GLU A 54 -5.528 24.062 17.332 1.00 1.59 C ATOM 821 C GLU A 54 -4.254 24.931 17.218 1.00 1.52 C ATOM 822 O GLU A 54 -3.387 24.904 18.088 1.00 1.72 O ATOM 823 CB GLU A 54 -5.585 23.261 18.646 1.00 1.75 C ATOM 824 CG GLU A 54 -5.809 24.102 19.918 1.00 2.29 C ATOM 825 CD GLU A 54 -5.098 23.472 21.118 1.00 2.53 C ATOM 826 OE1 GLU A 54 -5.016 22.221 21.174 1.00 2.85 O ATOM 827 OE2 GLU A 54 -4.435 24.197 21.892 1.00 3.19 O ATOM 0 H GLU A 54 -5.350 22.159 16.506 1.00 1.47 H new ATOM 0 HA GLU A 54 -6.370 24.754 17.308 1.00 1.59 H new ATOM 0 HB2 GLU A 54 -6.386 22.526 18.570 1.00 1.75 H new ATOM 0 HB3 GLU A 54 -4.653 22.707 18.756 1.00 1.75 H new ATOM 0 HG2 GLU A 54 -5.438 25.115 19.760 1.00 2.29 H new ATOM 0 HG3 GLU A 54 -6.877 24.182 20.123 1.00 2.29 H new ATOM 834 N GLY A 55 -4.063 25.599 16.071 1.00 1.54 N ATOM 835 CA GLY A 55 -2.878 26.407 15.721 1.00 1.71 C ATOM 836 C GLY A 55 -1.585 25.609 15.490 1.00 1.69 C ATOM 837 O GLY A 55 -0.639 26.115 14.895 1.00 2.11 O ATOM 0 H GLY A 55 -4.760 25.593 15.326 1.00 1.54 H new ATOM 0 HA2 GLY A 55 -3.100 26.976 14.819 1.00 1.71 H new ATOM 0 HA3 GLY A 55 -2.702 27.129 16.518 1.00 1.71 H new ATOM 841 N LYS A 56 -1.531 24.362 15.956 1.00 1.45 N ATOM 842 CA LYS A 56 -0.334 23.529 16.044 1.00 1.68 C ATOM 843 C LYS A 56 -0.275 22.521 14.890 1.00 1.60 C ATOM 844 O LYS A 56 -1.313 22.099 14.371 1.00 1.42 O ATOM 845 CB LYS A 56 -0.370 22.822 17.414 1.00 1.79 C ATOM 846 CG LYS A 56 -0.161 23.806 18.585 1.00 2.48 C ATOM 847 CD LYS A 56 -0.455 23.222 19.977 1.00 2.57 C ATOM 848 CE LYS A 56 -1.899 22.718 20.082 1.00 2.39 C ATOM 849 NZ LYS A 56 -2.355 22.540 21.480 1.00 2.67 N ATOM 0 H LYS A 56 -2.363 23.882 16.299 1.00 1.45 H new ATOM 0 HA LYS A 56 0.565 24.139 15.959 1.00 1.68 H new ATOM 0 HB2 LYS A 56 -1.328 22.315 17.534 1.00 1.79 H new ATOM 0 HB3 LYS A 56 0.403 22.054 17.445 1.00 1.79 H new ATOM 0 HG2 LYS A 56 0.870 24.159 18.565 1.00 2.48 H new ATOM 0 HG3 LYS A 56 -0.799 24.676 18.429 1.00 2.48 H new ATOM 0 HD2 LYS A 56 0.233 22.402 20.181 1.00 2.57 H new ATOM 0 HD3 LYS A 56 -0.278 23.983 20.737 1.00 2.57 H new ATOM 0 HE2 LYS A 56 -2.560 23.423 19.578 1.00 2.39 H new ATOM 0 HE3 LYS A 56 -1.984 21.768 19.555 1.00 2.39 H new ATOM 0 HZ1 LYS A 56 -3.107 21.823 21.511 1.00 2.67 H new ATOM 0 HZ2 LYS A 56 -1.556 22.230 22.069 1.00 2.67 H new ATOM 0 HZ3 LYS A 56 -2.722 23.443 21.843 1.00 2.67 H new ATOM 863 N LYS A 57 0.942 22.110 14.511 1.00 1.79 N ATOM 864 CA LYS A 57 1.177 21.083 13.485 1.00 1.70 C ATOM 865 C LYS A 57 0.588 19.722 13.913 1.00 1.59 C ATOM 866 O LYS A 57 0.861 19.273 15.025 1.00 1.71 O ATOM 867 CB LYS A 57 2.696 20.919 13.227 1.00 1.80 C ATOM 868 CG LYS A 57 3.520 22.184 12.904 1.00 2.60 C ATOM 869 CD LYS A 57 3.116 22.952 11.639 1.00 3.36 C ATOM 870 CE LYS A 57 3.209 22.097 10.365 1.00 3.45 C ATOM 871 NZ LYS A 57 2.633 22.801 9.193 1.00 4.37 N ATOM 0 H LYS A 57 1.802 22.485 14.912 1.00 1.79 H new ATOM 0 HA LYS A 57 0.681 21.410 12.571 1.00 1.70 H new ATOM 0 HB2 LYS A 57 3.135 20.451 14.108 1.00 1.80 H new ATOM 0 HB3 LYS A 57 2.820 20.220 12.400 1.00 1.80 H new ATOM 0 HG2 LYS A 57 3.451 22.863 13.754 1.00 2.60 H new ATOM 0 HG3 LYS A 57 4.567 21.896 12.810 1.00 2.60 H new ATOM 0 HD2 LYS A 57 2.095 23.317 11.752 1.00 3.36 H new ATOM 0 HD3 LYS A 57 3.757 23.827 11.531 1.00 3.36 H new ATOM 0 HE2 LYS A 57 4.252 21.851 10.166 1.00 3.45 H new ATOM 0 HE3 LYS A 57 2.683 21.155 10.519 1.00 3.45 H new ATOM 0 HZ1 LYS A 57 2.002 22.156 8.676 1.00 4.37 H new ATOM 0 HZ2 LYS A 57 2.092 23.628 9.516 1.00 4.37 H new ATOM 0 HZ3 LYS A 57 3.400 23.113 8.564 1.00 4.37 H new ATOM 885 N VAL A 58 -0.162 19.061 13.032 1.00 1.55 N ATOM 886 CA VAL A 58 -0.688 17.692 13.194 1.00 1.55 C ATOM 887 C VAL A 58 -0.388 16.877 11.923 1.00 1.58 C ATOM 888 O VAL A 58 -0.311 17.442 10.831 1.00 1.73 O ATOM 889 CB VAL A 58 -2.211 17.722 13.491 1.00 1.71 C ATOM 890 CG1 VAL A 58 -2.832 16.321 13.638 1.00 1.82 C ATOM 891 CG2 VAL A 58 -2.508 18.516 14.778 1.00 1.95 C ATOM 0 H VAL A 58 -0.436 19.478 12.143 1.00 1.55 H new ATOM 0 HA VAL A 58 -0.198 17.215 14.043 1.00 1.55 H new ATOM 0 HB VAL A 58 -2.662 18.207 12.625 1.00 1.71 H new ATOM 0 HG11 VAL A 58 -3.898 16.415 13.845 1.00 1.82 H new ATOM 0 HG12 VAL A 58 -2.690 15.761 12.714 1.00 1.82 H new ATOM 0 HG13 VAL A 58 -2.349 15.793 14.460 1.00 1.82 H new ATOM 0 HG21 VAL A 58 -3.582 18.521 14.963 1.00 1.95 H new ATOM 0 HG22 VAL A 58 -1.997 18.048 15.620 1.00 1.95 H new ATOM 0 HG23 VAL A 58 -2.155 19.541 14.663 1.00 1.95 H new ATOM 901 N MET A 59 -0.237 15.555 12.062 1.00 1.56 N ATOM 902 CA MET A 59 -0.298 14.586 10.956 1.00 1.57 C ATOM 903 C MET A 59 -1.277 13.457 11.292 1.00 1.30 C ATOM 904 O MET A 59 -1.332 13.024 12.440 1.00 1.59 O ATOM 905 CB MET A 59 1.088 14.012 10.642 1.00 2.11 C ATOM 906 CG MET A 59 1.852 14.967 9.719 1.00 3.37 C ATOM 907 SD MET A 59 3.639 14.715 9.616 1.00 4.01 S ATOM 908 CE MET A 59 4.057 15.141 11.322 1.00 3.52 C ATOM 0 H MET A 59 -0.065 15.117 12.967 1.00 1.56 H new ATOM 0 HA MET A 59 -0.653 15.111 10.069 1.00 1.57 H new ATOM 0 HB2 MET A 59 1.646 13.861 11.566 1.00 2.11 H new ATOM 0 HB3 MET A 59 0.988 13.036 10.167 1.00 2.11 H new ATOM 0 HG2 MET A 59 1.435 14.881 8.716 1.00 3.37 H new ATOM 0 HG3 MET A 59 1.668 15.988 10.054 1.00 3.37 H new ATOM 0 HE1 MET A 59 5.097 15.462 11.372 1.00 3.52 H new ATOM 0 HE2 MET A 59 3.411 15.949 11.664 1.00 3.52 H new ATOM 0 HE3 MET A 59 3.916 14.269 11.960 1.00 3.52 H new ATOM 918 N GLY A 60 -2.047 12.981 10.311 1.00 1.08 N ATOM 919 CA GLY A 60 -3.049 11.924 10.500 1.00 1.04 C ATOM 920 C GLY A 60 -3.304 11.123 9.231 1.00 0.90 C ATOM 921 O GLY A 60 -2.940 11.554 8.144 1.00 1.24 O ATOM 0 H GLY A 60 -1.993 13.321 9.351 1.00 1.08 H new ATOM 0 HA2 GLY A 60 -2.716 11.250 11.289 1.00 1.04 H new ATOM 0 HA3 GLY A 60 -3.984 12.371 10.836 1.00 1.04 H new ATOM 925 N MET A 61 -3.924 9.953 9.368 1.00 0.82 N ATOM 926 CA MET A 61 -4.175 9.023 8.260 1.00 0.72 C ATOM 927 C MET A 61 -5.592 9.150 7.688 1.00 0.71 C ATOM 928 O MET A 61 -6.515 9.624 8.351 1.00 0.83 O ATOM 929 CB MET A 61 -3.890 7.576 8.697 1.00 0.81 C ATOM 930 CG MET A 61 -2.404 7.345 8.997 1.00 0.97 C ATOM 931 SD MET A 61 -1.794 7.943 10.594 1.00 1.72 S ATOM 932 CE MET A 61 -0.062 7.469 10.393 1.00 1.71 C ATOM 0 H MET A 61 -4.273 9.615 10.265 1.00 0.82 H new ATOM 0 HA MET A 61 -3.490 9.294 7.457 1.00 0.72 H new ATOM 0 HB2 MET A 61 -4.479 7.343 9.584 1.00 0.81 H new ATOM 0 HB3 MET A 61 -4.212 6.891 7.912 1.00 0.81 H new ATOM 0 HG2 MET A 61 -2.207 6.275 8.937 1.00 0.97 H new ATOM 0 HG3 MET A 61 -1.820 7.821 8.210 1.00 0.97 H new ATOM 0 HE1 MET A 61 0.499 7.754 11.283 1.00 1.71 H new ATOM 0 HE2 MET A 61 0.006 6.390 10.251 1.00 1.71 H new ATOM 0 HE3 MET A 61 0.356 7.977 9.523 1.00 1.71 H new ATOM 942 N ARG A 62 -5.754 8.693 6.445 1.00 0.66 N ATOM 943 CA ARG A 62 -6.980 8.761 5.636 1.00 0.62 C ATOM 944 C ARG A 62 -6.849 7.804 4.449 1.00 0.65 C ATOM 945 O ARG A 62 -5.743 7.736 3.915 1.00 0.74 O ATOM 946 CB ARG A 62 -7.141 10.183 5.065 1.00 0.84 C ATOM 947 CG ARG A 62 -8.265 10.951 5.751 1.00 1.37 C ATOM 948 CD ARG A 62 -8.325 12.387 5.223 1.00 1.67 C ATOM 949 NE ARG A 62 -9.201 13.194 6.091 1.00 3.31 N ATOM 950 CZ ARG A 62 -10.529 13.162 6.116 1.00 4.34 C ATOM 951 NH1 ARG A 62 -11.232 12.523 5.202 1.00 4.13 N ATOM 952 NH2 ARG A 62 -11.180 13.780 7.082 1.00 6.27 N ATOM 0 H ARG A 62 -4.991 8.238 5.944 1.00 0.66 H new ATOM 0 HA ARG A 62 -7.834 8.498 6.260 1.00 0.62 H new ATOM 0 HB2 ARG A 62 -6.205 10.729 5.183 1.00 0.84 H new ATOM 0 HB3 ARG A 62 -7.343 10.123 3.996 1.00 0.84 H new ATOM 0 HG2 ARG A 62 -9.217 10.451 5.574 1.00 1.37 H new ATOM 0 HG3 ARG A 62 -8.104 10.959 6.829 1.00 1.37 H new ATOM 0 HD2 ARG A 62 -7.324 12.818 5.197 1.00 1.67 H new ATOM 0 HD3 ARG A 62 -8.702 12.394 4.200 1.00 1.67 H new ATOM 0 HE ARG A 62 -8.744 13.839 6.735 1.00 3.31 H new ATOM 0 HH11 ARG A 62 -10.757 12.032 4.444 1.00 4.13 H new ATOM 0 HH12 ARG A 62 -12.251 12.519 5.252 1.00 4.13 H new ATOM 0 HH21 ARG A 62 -10.664 14.280 7.806 1.00 6.27 H new ATOM 0 HH22 ARG A 62 -12.200 13.758 7.105 1.00 6.27 H new ATOM 966 N PRO A 63 -7.913 7.142 3.958 1.00 0.66 N ATOM 967 CA PRO A 63 -7.889 6.572 2.622 1.00 0.69 C ATOM 968 C PRO A 63 -7.924 7.684 1.576 1.00 0.66 C ATOM 969 O PRO A 63 -8.468 8.761 1.820 1.00 0.70 O ATOM 970 CB PRO A 63 -9.081 5.633 2.494 1.00 0.75 C ATOM 971 CG PRO A 63 -9.924 5.893 3.736 1.00 0.90 C ATOM 972 CD PRO A 63 -9.242 7.019 4.523 1.00 0.61 C ATOM 0 HA PRO A 63 -6.971 6.009 2.454 1.00 0.69 H new ATOM 0 HB2 PRO A 63 -9.646 5.835 1.584 1.00 0.75 H new ATOM 0 HB3 PRO A 63 -8.760 4.592 2.446 1.00 0.75 H new ATOM 0 HG2 PRO A 63 -10.939 6.178 3.459 1.00 0.90 H new ATOM 0 HG3 PRO A 63 -10.001 4.991 4.344 1.00 0.90 H new ATOM 0 HD2 PRO A 63 -9.795 7.953 4.429 1.00 0.61 H new ATOM 0 HD3 PRO A 63 -9.195 6.781 5.586 1.00 0.61 H new ATOM 980 N VAL A 64 -7.362 7.383 0.410 1.00 0.61 N ATOM 981 CA VAL A 64 -7.383 8.237 -0.789 1.00 0.58 C ATOM 982 C VAL A 64 -8.044 7.490 -1.955 1.00 0.61 C ATOM 983 O VAL A 64 -8.029 6.257 -1.964 1.00 0.63 O ATOM 984 CB VAL A 64 -5.967 8.702 -1.208 1.00 0.52 C ATOM 985 CG1 VAL A 64 -5.473 9.811 -0.273 1.00 0.67 C ATOM 986 CG2 VAL A 64 -4.928 7.571 -1.247 1.00 0.51 C ATOM 0 H VAL A 64 -6.860 6.508 0.261 1.00 0.61 H new ATOM 0 HA VAL A 64 -7.961 9.126 -0.538 1.00 0.58 H new ATOM 0 HB VAL A 64 -6.067 9.075 -2.227 1.00 0.52 H new ATOM 0 HG11 VAL A 64 -4.476 10.128 -0.580 1.00 0.67 H new ATOM 0 HG12 VAL A 64 -6.155 10.660 -0.323 1.00 0.67 H new ATOM 0 HG13 VAL A 64 -5.436 9.435 0.749 1.00 0.67 H new ATOM 0 HG21 VAL A 64 -3.962 7.975 -1.549 1.00 0.51 H new ATOM 0 HG22 VAL A 64 -4.841 7.123 -0.257 1.00 0.51 H new ATOM 0 HG23 VAL A 64 -5.243 6.812 -1.963 1.00 0.51 H new ATOM 996 N PRO A 65 -8.596 8.204 -2.957 1.00 0.66 N ATOM 997 CA PRO A 65 -9.140 7.586 -4.162 1.00 0.71 C ATOM 998 C PRO A 65 -8.055 6.998 -5.078 1.00 0.62 C ATOM 999 O PRO A 65 -8.404 6.237 -5.976 1.00 0.58 O ATOM 1000 CB PRO A 65 -9.923 8.700 -4.866 1.00 0.80 C ATOM 1001 CG PRO A 65 -9.177 9.965 -4.453 1.00 0.77 C ATOM 1002 CD PRO A 65 -8.765 9.653 -3.016 1.00 0.70 C ATOM 0 HA PRO A 65 -9.770 6.734 -3.907 1.00 0.71 H new ATOM 0 HB2 PRO A 65 -9.925 8.569 -5.948 1.00 0.80 H new ATOM 0 HB3 PRO A 65 -10.965 8.724 -4.546 1.00 0.80 H new ATOM 0 HG2 PRO A 65 -8.313 10.153 -5.091 1.00 0.77 H new ATOM 0 HG3 PRO A 65 -9.813 10.848 -4.510 1.00 0.77 H new ATOM 0 HD2 PRO A 65 -7.839 10.166 -2.754 1.00 0.70 H new ATOM 0 HD3 PRO A 65 -9.525 9.987 -2.310 1.00 0.70 H new ATOM 1010 N PHE A 66 -6.769 7.344 -4.873 1.00 0.61 N ATOM 1011 CA PHE A 66 -5.618 6.881 -5.647 1.00 0.57 C ATOM 1012 C PHE A 66 -4.314 7.475 -5.096 1.00 0.59 C ATOM 1013 O PHE A 66 -4.305 8.508 -4.428 1.00 0.62 O ATOM 1014 CB PHE A 66 -5.766 7.193 -7.153 1.00 0.58 C ATOM 1015 CG PHE A 66 -5.985 8.651 -7.512 1.00 0.68 C ATOM 1016 CD1 PHE A 66 -4.893 9.535 -7.587 1.00 1.98 C ATOM 1017 CD2 PHE A 66 -7.282 9.118 -7.805 1.00 2.16 C ATOM 1018 CE1 PHE A 66 -5.096 10.879 -7.940 1.00 1.97 C ATOM 1019 CE2 PHE A 66 -7.483 10.461 -8.166 1.00 2.27 C ATOM 1020 CZ PHE A 66 -6.391 11.344 -8.233 1.00 0.96 C ATOM 0 H PHE A 66 -6.500 7.984 -4.126 1.00 0.61 H new ATOM 0 HA PHE A 66 -5.578 5.797 -5.543 1.00 0.57 H new ATOM 0 HB2 PHE A 66 -4.870 6.844 -7.666 1.00 0.58 H new ATOM 0 HB3 PHE A 66 -6.603 6.614 -7.543 1.00 0.58 H new ATOM 0 HD1 PHE A 66 -3.896 9.179 -7.373 1.00 1.98 H new ATOM 0 HD2 PHE A 66 -8.123 8.442 -7.752 1.00 2.16 H new ATOM 0 HE1 PHE A 66 -4.256 11.557 -7.987 1.00 1.97 H new ATOM 0 HE2 PHE A 66 -8.478 10.815 -8.392 1.00 2.27 H new ATOM 0 HZ PHE A 66 -6.546 12.377 -8.509 1.00 0.96 H new ATOM 1030 N LEU A 67 -3.204 6.844 -5.475 1.00 0.61 N ATOM 1031 CA LEU A 67 -1.875 7.441 -5.590 1.00 0.58 C ATOM 1032 C LEU A 67 -1.503 7.569 -7.072 1.00 0.57 C ATOM 1033 O LEU A 67 -2.193 7.042 -7.941 1.00 0.58 O ATOM 1034 CB LEU A 67 -0.851 6.554 -4.850 1.00 0.55 C ATOM 1035 CG LEU A 67 -0.330 7.173 -3.546 1.00 0.63 C ATOM 1036 CD1 LEU A 67 0.703 6.199 -2.963 1.00 1.04 C ATOM 1037 CD2 LEU A 67 0.375 8.525 -3.764 1.00 0.83 C ATOM 0 H LEU A 67 -3.207 5.854 -5.722 1.00 0.61 H new ATOM 0 HA LEU A 67 -1.871 8.433 -5.139 1.00 0.58 H new ATOM 0 HB2 LEU A 67 -1.311 5.591 -4.627 1.00 0.55 H new ATOM 0 HB3 LEU A 67 -0.007 6.358 -5.512 1.00 0.55 H new ATOM 0 HG LEU A 67 -1.182 7.345 -2.888 1.00 0.63 H new ATOM 0 HD11 LEU A 67 1.099 6.603 -2.032 1.00 1.04 H new ATOM 0 HD12 LEU A 67 0.227 5.238 -2.768 1.00 1.04 H new ATOM 0 HD13 LEU A 67 1.517 6.063 -3.675 1.00 1.04 H new ATOM 0 HD21 LEU A 67 0.722 8.913 -2.806 1.00 0.83 H new ATOM 0 HD22 LEU A 67 1.227 8.388 -4.430 1.00 0.83 H new ATOM 0 HD23 LEU A 67 -0.324 9.232 -4.211 1.00 0.83 H new ATOM 1049 N GLU A 68 -0.371 8.194 -7.384 1.00 0.60 N ATOM 1050 CA GLU A 68 0.136 8.283 -8.754 1.00 0.67 C ATOM 1051 C GLU A 68 1.645 8.468 -8.771 1.00 0.70 C ATOM 1052 O GLU A 68 2.245 8.739 -7.732 1.00 0.71 O ATOM 1053 CB GLU A 68 -0.612 9.367 -9.537 1.00 0.88 C ATOM 1054 CG GLU A 68 -0.221 10.805 -9.211 1.00 1.15 C ATOM 1055 CD GLU A 68 -1.180 11.692 -9.999 1.00 1.44 C ATOM 1056 OE1 GLU A 68 -2.390 11.679 -9.685 1.00 2.34 O ATOM 1057 OE2 GLU A 68 -0.797 12.231 -11.055 1.00 1.88 O ATOM 0 H GLU A 68 0.223 8.654 -6.694 1.00 0.60 H new ATOM 0 HA GLU A 68 -0.058 7.339 -9.263 1.00 0.67 H new ATOM 0 HB2 GLU A 68 -0.450 9.198 -10.602 1.00 0.88 H new ATOM 0 HB3 GLU A 68 -1.680 9.250 -9.355 1.00 0.88 H new ATOM 0 HG2 GLU A 68 -0.301 10.998 -8.141 1.00 1.15 H new ATOM 0 HG3 GLU A 68 0.813 11.001 -9.494 1.00 1.15 H new ATOM 1064 N VAL A 69 2.253 8.259 -9.937 1.00 0.77 N ATOM 1065 CA VAL A 69 3.702 8.079 -10.064 1.00 0.77 C ATOM 1066 C VAL A 69 4.190 8.596 -11.421 1.00 0.80 C ATOM 1067 O VAL A 69 3.558 8.283 -12.434 1.00 0.88 O ATOM 1068 CB VAL A 69 4.106 6.580 -9.937 1.00 0.80 C ATOM 1069 CG1 VAL A 69 5.613 6.419 -9.688 1.00 0.81 C ATOM 1070 CG2 VAL A 69 3.349 5.793 -8.849 1.00 0.86 C ATOM 0 H VAL A 69 1.754 8.209 -10.825 1.00 0.77 H new ATOM 0 HA VAL A 69 4.165 8.645 -9.255 1.00 0.77 H new ATOM 0 HB VAL A 69 3.823 6.155 -10.900 1.00 0.80 H new ATOM 0 HG11 VAL A 69 5.857 5.360 -9.605 1.00 0.81 H new ATOM 0 HG12 VAL A 69 6.168 6.855 -10.519 1.00 0.81 H new ATOM 0 HG13 VAL A 69 5.885 6.928 -8.763 1.00 0.81 H new ATOM 0 HG21 VAL A 69 3.699 4.761 -8.837 1.00 0.86 H new ATOM 0 HG22 VAL A 69 3.532 6.249 -7.876 1.00 0.86 H new ATOM 0 HG23 VAL A 69 2.280 5.812 -9.064 1.00 0.86 H new ATOM 1080 N PRO A 70 5.302 9.351 -11.489 1.00 0.78 N ATOM 1081 CA PRO A 70 5.853 9.811 -12.756 1.00 0.83 C ATOM 1082 C PRO A 70 6.549 8.674 -13.534 1.00 0.80 C ATOM 1083 O PRO A 70 6.832 7.616 -12.966 1.00 0.77 O ATOM 1084 CB PRO A 70 6.832 10.928 -12.388 1.00 0.89 C ATOM 1085 CG PRO A 70 7.324 10.517 -11.002 1.00 0.84 C ATOM 1086 CD PRO A 70 6.085 9.876 -10.377 1.00 0.79 C ATOM 0 HA PRO A 70 5.068 10.166 -13.424 1.00 0.83 H new ATOM 0 HB2 PRO A 70 7.652 10.996 -13.103 1.00 0.89 H new ATOM 0 HB3 PRO A 70 6.343 11.902 -12.369 1.00 0.89 H new ATOM 0 HG2 PRO A 70 8.156 9.815 -11.060 1.00 0.84 H new ATOM 0 HG3 PRO A 70 7.670 11.375 -10.425 1.00 0.84 H new ATOM 0 HD2 PRO A 70 6.363 9.081 -9.686 1.00 0.79 H new ATOM 0 HD3 PRO A 70 5.512 10.608 -9.807 1.00 0.79 H new ATOM 1094 N PRO A 71 6.840 8.886 -14.830 1.00 0.87 N ATOM 1095 CA PRO A 71 7.616 7.971 -15.661 1.00 0.86 C ATOM 1096 C PRO A 71 9.031 7.747 -15.126 1.00 0.76 C ATOM 1097 O PRO A 71 9.657 8.685 -14.633 1.00 0.76 O ATOM 1098 CB PRO A 71 7.577 8.549 -17.071 1.00 1.02 C ATOM 1099 CG PRO A 71 7.099 9.989 -16.934 1.00 1.09 C ATOM 1100 CD PRO A 71 6.361 10.016 -15.606 1.00 1.00 C ATOM 0 HA PRO A 71 7.187 6.969 -15.654 1.00 0.86 H new ATOM 0 HB2 PRO A 71 8.563 8.510 -17.534 1.00 1.02 H new ATOM 0 HB3 PRO A 71 6.903 7.975 -17.707 1.00 1.02 H new ATOM 0 HG2 PRO A 71 7.936 10.688 -16.938 1.00 1.09 H new ATOM 0 HG3 PRO A 71 6.444 10.271 -17.759 1.00 1.09 H new ATOM 0 HD2 PRO A 71 6.548 10.952 -15.080 1.00 1.00 H new ATOM 0 HD3 PRO A 71 5.284 9.948 -15.762 1.00 1.00 H new ATOM 1108 N LYS A 72 9.504 6.488 -15.174 1.00 0.76 N ATOM 1109 CA LYS A 72 10.806 6.017 -14.641 1.00 0.77 C ATOM 1110 C LYS A 72 10.934 6.143 -13.108 1.00 0.79 C ATOM 1111 O LYS A 72 11.963 5.824 -12.511 1.00 0.87 O ATOM 1112 CB LYS A 72 11.962 6.681 -15.405 1.00 0.78 C ATOM 1113 CG LYS A 72 12.247 6.039 -16.767 1.00 1.01 C ATOM 1114 CD LYS A 72 11.045 5.713 -17.671 1.00 1.44 C ATOM 1115 CE LYS A 72 11.423 4.981 -18.964 1.00 1.19 C ATOM 1116 NZ LYS A 72 12.189 5.821 -19.907 1.00 1.99 N ATOM 0 H LYS A 72 8.969 5.734 -15.604 1.00 0.76 H new ATOM 0 HA LYS A 72 10.861 4.943 -14.818 1.00 0.77 H new ATOM 0 HB2 LYS A 72 11.731 7.736 -15.551 1.00 0.78 H new ATOM 0 HB3 LYS A 72 12.864 6.634 -14.795 1.00 0.78 H new ATOM 0 HG2 LYS A 72 12.911 6.705 -17.319 1.00 1.01 H new ATOM 0 HG3 LYS A 72 12.796 5.114 -16.593 1.00 1.01 H new ATOM 0 HD2 LYS A 72 10.337 5.101 -17.112 1.00 1.44 H new ATOM 0 HD3 LYS A 72 10.532 6.640 -17.926 1.00 1.44 H new ATOM 0 HE2 LYS A 72 12.011 4.098 -18.715 1.00 1.19 H new ATOM 0 HE3 LYS A 72 10.515 4.631 -19.455 1.00 1.19 H new ATOM 0 HZ1 LYS A 72 12.297 5.318 -20.811 1.00 1.99 H new ATOM 0 HZ2 LYS A 72 11.682 6.715 -20.066 1.00 1.99 H new ATOM 0 HZ3 LYS A 72 13.128 6.022 -19.509 1.00 1.99 H new ATOM 1130 N GLY A 73 9.860 6.593 -12.469 1.00 0.79 N ATOM 1131 CA GLY A 73 9.744 6.918 -11.058 1.00 0.84 C ATOM 1132 C GLY A 73 9.569 5.674 -10.211 1.00 0.71 C ATOM 1133 O GLY A 73 8.545 4.997 -10.254 1.00 0.89 O ATOM 0 H GLY A 73 8.983 6.751 -12.965 1.00 0.79 H new ATOM 0 HA2 GLY A 73 10.634 7.457 -10.734 1.00 0.84 H new ATOM 0 HA3 GLY A 73 8.895 7.584 -10.906 1.00 0.84 H new ATOM 1137 N ARG A 74 10.570 5.442 -9.369 1.00 0.98 N ATOM 1138 CA ARG A 74 10.409 4.666 -8.136 1.00 0.97 C ATOM 1139 C ARG A 74 9.918 5.576 -7.005 1.00 1.05 C ATOM 1140 O ARG A 74 10.454 6.665 -6.825 1.00 1.24 O ATOM 1141 CB ARG A 74 11.693 3.916 -7.728 1.00 1.17 C ATOM 1142 CG ARG A 74 12.158 2.904 -8.795 1.00 2.55 C ATOM 1143 CD ARG A 74 12.788 1.637 -8.182 1.00 2.53 C ATOM 1144 NE ARG A 74 12.990 0.577 -9.189 1.00 3.99 N ATOM 1145 CZ ARG A 74 13.886 0.483 -10.161 1.00 5.12 C ATOM 1146 NH1 ARG A 74 14.868 1.348 -10.291 1.00 5.43 N ATOM 1147 NH2 ARG A 74 13.797 -0.498 -11.033 1.00 6.64 N ATOM 0 H ARG A 74 11.519 5.785 -9.519 1.00 0.98 H new ATOM 0 HA ARG A 74 9.660 3.899 -8.330 1.00 0.97 H new ATOM 0 HB2 ARG A 74 12.489 4.639 -7.548 1.00 1.17 H new ATOM 0 HB3 ARG A 74 11.519 3.392 -6.788 1.00 1.17 H new ATOM 0 HG2 ARG A 74 11.307 2.618 -9.414 1.00 2.55 H new ATOM 0 HG3 ARG A 74 12.883 3.383 -9.452 1.00 2.55 H new ATOM 0 HD2 ARG A 74 13.745 1.892 -7.727 1.00 2.53 H new ATOM 0 HD3 ARG A 74 12.146 1.262 -7.385 1.00 2.53 H new ATOM 0 HE ARG A 74 12.338 -0.205 -9.127 1.00 3.99 H new ATOM 0 HH11 ARG A 74 14.957 2.121 -9.632 1.00 5.43 H new ATOM 0 HH12 ARG A 74 15.540 1.246 -11.051 1.00 5.43 H new ATOM 0 HH21 ARG A 74 13.042 -1.180 -10.958 1.00 6.64 H new ATOM 0 HH22 ARG A 74 14.483 -0.577 -11.784 1.00 6.64 H new ATOM 1161 N VAL A 75 8.921 5.118 -6.252 1.00 0.98 N ATOM 1162 CA VAL A 75 8.341 5.771 -5.062 1.00 1.06 C ATOM 1163 C VAL A 75 8.032 4.712 -3.992 1.00 0.97 C ATOM 1164 O VAL A 75 8.097 3.519 -4.276 1.00 1.13 O ATOM 1165 CB VAL A 75 7.077 6.599 -5.402 1.00 1.31 C ATOM 1166 CG1 VAL A 75 7.393 7.774 -6.344 1.00 1.53 C ATOM 1167 CG2 VAL A 75 5.962 5.728 -6.005 1.00 1.31 C ATOM 0 H VAL A 75 8.464 4.230 -6.461 1.00 0.98 H new ATOM 0 HA VAL A 75 9.077 6.475 -4.674 1.00 1.06 H new ATOM 0 HB VAL A 75 6.720 7.006 -4.456 1.00 1.31 H new ATOM 0 HG11 VAL A 75 6.478 8.327 -6.556 1.00 1.53 H new ATOM 0 HG12 VAL A 75 8.116 8.437 -5.869 1.00 1.53 H new ATOM 0 HG13 VAL A 75 7.809 7.391 -7.276 1.00 1.53 H new ATOM 0 HG21 VAL A 75 5.095 6.350 -6.228 1.00 1.31 H new ATOM 0 HG22 VAL A 75 6.320 5.262 -6.923 1.00 1.31 H new ATOM 0 HG23 VAL A 75 5.679 4.954 -5.292 1.00 1.31 H new ATOM 1177 N GLU A 76 7.716 5.116 -2.761 1.00 1.07 N ATOM 1178 CA GLU A 76 7.719 4.238 -1.589 1.00 1.07 C ATOM 1179 C GLU A 76 6.450 4.446 -0.749 1.00 0.95 C ATOM 1180 O GLU A 76 6.181 5.567 -0.304 1.00 1.05 O ATOM 1181 CB GLU A 76 8.982 4.596 -0.789 1.00 1.52 C ATOM 1182 CG GLU A 76 9.359 3.610 0.323 1.00 1.98 C ATOM 1183 CD GLU A 76 10.382 4.243 1.274 1.00 2.68 C ATOM 1184 OE1 GLU A 76 11.176 5.099 0.827 1.00 3.08 O ATOM 1185 OE2 GLU A 76 10.250 4.088 2.508 1.00 3.64 O ATOM 0 H GLU A 76 7.447 6.076 -2.546 1.00 1.07 H new ATOM 0 HA GLU A 76 7.726 3.187 -1.879 1.00 1.07 H new ATOM 0 HB2 GLU A 76 9.820 4.674 -1.482 1.00 1.52 H new ATOM 0 HB3 GLU A 76 8.843 5.582 -0.345 1.00 1.52 H new ATOM 0 HG2 GLU A 76 8.467 3.320 0.879 1.00 1.98 H new ATOM 0 HG3 GLU A 76 9.772 2.701 -0.113 1.00 1.98 H new ATOM 1192 N LEU A 77 5.690 3.371 -0.483 1.00 0.89 N ATOM 1193 CA LEU A 77 4.590 3.401 0.486 1.00 0.85 C ATOM 1194 C LEU A 77 5.176 3.295 1.899 1.00 0.97 C ATOM 1195 O LEU A 77 5.141 2.242 2.539 1.00 1.18 O ATOM 1196 CB LEU A 77 3.516 2.325 0.192 1.00 0.84 C ATOM 1197 CG LEU A 77 2.549 2.664 -0.962 1.00 0.76 C ATOM 1198 CD1 LEU A 77 3.176 2.479 -2.352 1.00 0.76 C ATOM 1199 CD2 LEU A 77 1.295 1.784 -0.845 1.00 0.86 C ATOM 0 H LEU A 77 5.822 2.464 -0.932 1.00 0.89 H new ATOM 0 HA LEU A 77 4.060 4.349 0.400 1.00 0.85 H new ATOM 0 HB2 LEU A 77 4.019 1.386 -0.040 1.00 0.84 H new ATOM 0 HB3 LEU A 77 2.932 2.159 1.098 1.00 0.84 H new ATOM 0 HG LEU A 77 2.296 3.720 -0.868 1.00 0.76 H new ATOM 0 HD11 LEU A 77 2.444 2.734 -3.118 1.00 0.76 H new ATOM 0 HD12 LEU A 77 4.045 3.130 -2.449 1.00 0.76 H new ATOM 0 HD13 LEU A 77 3.485 1.441 -2.477 1.00 0.76 H new ATOM 0 HD21 LEU A 77 0.608 2.019 -1.658 1.00 0.86 H new ATOM 0 HD22 LEU A 77 1.581 0.734 -0.904 1.00 0.86 H new ATOM 0 HD23 LEU A 77 0.805 1.974 0.110 1.00 0.86 H new ATOM 1211 N LYS A 78 5.754 4.396 2.382 1.00 1.15 N ATOM 1212 CA LYS A 78 6.320 4.478 3.728 1.00 1.18 C ATOM 1213 C LYS A 78 5.203 4.700 4.773 1.00 1.03 C ATOM 1214 O LYS A 78 4.331 5.531 4.526 1.00 1.05 O ATOM 1215 CB LYS A 78 7.442 5.531 3.750 1.00 1.27 C ATOM 1216 CG LYS A 78 7.046 6.954 3.325 1.00 1.29 C ATOM 1217 CD LYS A 78 8.225 7.942 3.339 1.00 1.65 C ATOM 1218 CE LYS A 78 9.307 7.645 2.283 1.00 1.95 C ATOM 1219 NZ LYS A 78 10.408 6.779 2.777 1.00 2.86 N ATOM 0 H LYS A 78 5.843 5.260 1.847 1.00 1.15 H new ATOM 0 HA LYS A 78 6.786 3.534 4.009 1.00 1.18 H new ATOM 0 HB2 LYS A 78 7.850 5.576 4.760 1.00 1.27 H new ATOM 0 HB3 LYS A 78 8.245 5.189 3.097 1.00 1.27 H new ATOM 0 HG2 LYS A 78 6.620 6.921 2.322 1.00 1.29 H new ATOM 0 HG3 LYS A 78 6.265 7.321 3.991 1.00 1.29 H new ATOM 0 HD2 LYS A 78 7.842 8.950 3.178 1.00 1.65 H new ATOM 0 HD3 LYS A 78 8.684 7.929 4.328 1.00 1.65 H new ATOM 0 HE2 LYS A 78 8.839 7.166 1.423 1.00 1.95 H new ATOM 0 HE3 LYS A 78 9.728 8.588 1.933 1.00 1.95 H new ATOM 0 HZ1 LYS A 78 11.079 6.595 2.004 1.00 2.86 H new ATOM 0 HZ2 LYS A 78 10.902 7.257 3.558 1.00 2.86 H new ATOM 0 HZ3 LYS A 78 10.015 5.878 3.116 1.00 2.86 H new ATOM 1233 N PRO A 79 5.219 3.996 5.930 1.00 0.91 N ATOM 1234 CA PRO A 79 4.076 3.851 6.843 1.00 0.78 C ATOM 1235 C PRO A 79 3.417 5.182 7.215 1.00 0.74 C ATOM 1236 O PRO A 79 2.246 5.379 6.894 1.00 0.97 O ATOM 1237 CB PRO A 79 4.596 3.079 8.068 1.00 0.85 C ATOM 1238 CG PRO A 79 6.118 3.100 7.926 1.00 0.96 C ATOM 1239 CD PRO A 79 6.325 3.187 6.418 1.00 1.03 C ATOM 0 HA PRO A 79 3.271 3.304 6.352 1.00 0.78 H new ATOM 0 HB2 PRO A 79 4.279 3.552 8.997 1.00 0.85 H new ATOM 0 HB3 PRO A 79 4.214 2.058 8.083 1.00 0.85 H new ATOM 0 HG2 PRO A 79 6.559 3.952 8.443 1.00 0.96 H new ATOM 0 HG3 PRO A 79 6.574 2.203 8.344 1.00 0.96 H new ATOM 0 HD2 PRO A 79 7.285 3.645 6.178 1.00 1.03 H new ATOM 0 HD3 PRO A 79 6.321 2.197 5.962 1.00 1.03 H new ATOM 1247 N GLY A 80 4.182 6.111 7.805 1.00 0.95 N ATOM 1248 CA GLY A 80 3.829 7.530 7.827 1.00 1.11 C ATOM 1249 C GLY A 80 4.240 8.134 6.488 1.00 0.96 C ATOM 1250 O GLY A 80 5.432 8.276 6.222 1.00 1.23 O ATOM 0 H GLY A 80 5.060 5.897 8.278 1.00 0.95 H new ATOM 0 HA2 GLY A 80 2.758 7.655 7.990 1.00 1.11 H new ATOM 0 HA3 GLY A 80 4.337 8.037 8.647 1.00 1.11 H new ATOM 1254 N GLY A 81 3.253 8.427 5.641 1.00 0.94 N ATOM 1255 CA GLY A 81 3.433 8.689 4.209 1.00 0.85 C ATOM 1256 C GLY A 81 2.262 8.152 3.398 1.00 0.73 C ATOM 1257 O GLY A 81 1.297 8.867 3.172 1.00 0.80 O ATOM 0 H GLY A 81 2.279 8.491 5.938 1.00 0.94 H new ATOM 0 HA2 GLY A 81 3.532 9.762 4.043 1.00 0.85 H new ATOM 0 HA3 GLY A 81 4.358 8.227 3.866 1.00 0.85 H new ATOM 1261 N TYR A 82 2.350 6.889 2.982 1.00 0.70 N ATOM 1262 CA TYR A 82 1.346 6.142 2.212 1.00 0.66 C ATOM 1263 C TYR A 82 1.438 4.649 2.544 1.00 0.73 C ATOM 1264 O TYR A 82 2.527 4.127 2.758 1.00 0.82 O ATOM 1265 CB TYR A 82 1.536 6.364 0.706 1.00 0.66 C ATOM 1266 CG TYR A 82 1.494 7.821 0.285 1.00 0.61 C ATOM 1267 CD1 TYR A 82 0.261 8.492 0.177 1.00 1.61 C ATOM 1268 CD2 TYR A 82 2.697 8.516 0.056 1.00 1.81 C ATOM 1269 CE1 TYR A 82 0.226 9.870 -0.117 1.00 1.72 C ATOM 1270 CE2 TYR A 82 2.670 9.889 -0.252 1.00 1.73 C ATOM 1271 CZ TYR A 82 1.435 10.573 -0.333 1.00 0.65 C ATOM 1272 OH TYR A 82 1.422 11.907 -0.609 1.00 0.73 O ATOM 0 H TYR A 82 3.173 6.322 3.184 1.00 0.70 H new ATOM 0 HA TYR A 82 0.357 6.508 2.487 1.00 0.66 H new ATOM 0 HB2 TYR A 82 2.493 5.937 0.404 1.00 0.66 H new ATOM 0 HB3 TYR A 82 0.760 5.819 0.168 1.00 0.66 H new ATOM 0 HD1 TYR A 82 -0.661 7.949 0.320 1.00 1.61 H new ATOM 0 HD2 TYR A 82 3.641 7.995 0.117 1.00 1.81 H new ATOM 0 HE1 TYR A 82 -0.720 10.387 -0.177 1.00 1.72 H new ATOM 0 HE2 TYR A 82 3.594 10.421 -0.427 1.00 1.73 H new ATOM 0 HH TYR A 82 2.341 12.226 -0.727 1.00 0.73 H new ATOM 1282 N HIS A 83 0.318 3.933 2.579 1.00 0.72 N ATOM 1283 CA HIS A 83 0.267 2.510 2.949 1.00 0.77 C ATOM 1284 C HIS A 83 -1.084 1.898 2.557 1.00 0.76 C ATOM 1285 O HIS A 83 -1.982 2.620 2.125 1.00 0.74 O ATOM 1286 CB HIS A 83 0.587 2.324 4.447 1.00 0.82 C ATOM 1287 CG HIS A 83 -0.377 3.014 5.372 1.00 0.77 C ATOM 1288 ND1 HIS A 83 -0.258 4.296 5.861 1.00 0.85 N ATOM 1289 CD2 HIS A 83 -1.541 2.496 5.873 1.00 0.73 C ATOM 1290 CE1 HIS A 83 -1.340 4.554 6.607 1.00 0.83 C ATOM 1291 NE2 HIS A 83 -2.142 3.479 6.664 1.00 0.76 N ATOM 0 H HIS A 83 -0.596 4.324 2.349 1.00 0.72 H new ATOM 0 HA HIS A 83 1.034 1.972 2.392 1.00 0.77 H new ATOM 0 HB2 HIS A 83 0.594 1.258 4.676 1.00 0.82 H new ATOM 0 HB3 HIS A 83 1.592 2.699 4.642 1.00 0.82 H new ATOM 0 HD1 HIS A 83 0.517 4.936 5.686 1.00 0.85 H new ATOM 0 HD2 HIS A 83 -1.926 1.504 5.690 1.00 0.73 H new ATOM 0 HE1 HIS A 83 -1.540 5.496 7.095 1.00 0.83 H new ATOM 1299 N PHE A 84 -1.245 0.581 2.719 1.00 0.86 N ATOM 1300 CA PHE A 84 -2.493 -0.127 2.454 1.00 0.82 C ATOM 1301 C PHE A 84 -3.104 -0.619 3.768 1.00 0.77 C ATOM 1302 O PHE A 84 -2.441 -1.312 4.547 1.00 0.90 O ATOM 1303 CB PHE A 84 -2.227 -1.317 1.521 1.00 0.93 C ATOM 1304 CG PHE A 84 -2.100 -0.982 0.044 1.00 0.84 C ATOM 1305 CD1 PHE A 84 -3.214 -0.489 -0.664 1.00 1.66 C ATOM 1306 CD2 PHE A 84 -0.900 -1.240 -0.648 1.00 2.28 C ATOM 1307 CE1 PHE A 84 -3.159 -0.340 -2.057 1.00 1.71 C ATOM 1308 CE2 PHE A 84 -0.828 -1.031 -2.040 1.00 2.19 C ATOM 1309 CZ PHE A 84 -1.964 -0.606 -2.747 1.00 0.71 C ATOM 0 H PHE A 84 -0.496 -0.030 3.044 1.00 0.86 H new ATOM 0 HA PHE A 84 -3.194 0.554 1.972 1.00 0.82 H new ATOM 0 HB2 PHE A 84 -1.309 -1.809 1.843 1.00 0.93 H new ATOM 0 HB3 PHE A 84 -3.035 -2.038 1.643 1.00 0.93 H new ATOM 0 HD1 PHE A 84 -4.115 -0.224 -0.131 1.00 1.66 H new ATOM 0 HD2 PHE A 84 -0.034 -1.598 -0.111 1.00 2.28 H new ATOM 0 HE1 PHE A 84 -4.036 -0.020 -2.600 1.00 1.71 H new ATOM 0 HE2 PHE A 84 0.102 -1.198 -2.563 1.00 2.19 H new ATOM 0 HZ PHE A 84 -1.920 -0.484 -3.819 1.00 0.71 H new ATOM 1319 N MET A 85 -4.384 -0.307 3.975 1.00 0.63 N ATOM 1320 CA MET A 85 -5.222 -0.924 5.003 1.00 0.58 C ATOM 1321 C MET A 85 -5.851 -2.203 4.453 1.00 0.59 C ATOM 1322 O MET A 85 -6.300 -2.227 3.308 1.00 0.81 O ATOM 1323 CB MET A 85 -6.307 0.061 5.463 1.00 0.58 C ATOM 1324 CG MET A 85 -5.767 1.169 6.376 1.00 0.74 C ATOM 1325 SD MET A 85 -5.741 0.798 8.150 1.00 0.89 S ATOM 1326 CE MET A 85 -4.157 -0.050 8.297 1.00 0.69 C ATOM 0 H MET A 85 -4.876 0.395 3.422 1.00 0.63 H new ATOM 0 HA MET A 85 -4.606 -1.179 5.865 1.00 0.58 H new ATOM 0 HB2 MET A 85 -6.772 0.514 4.588 1.00 0.58 H new ATOM 0 HB3 MET A 85 -7.087 -0.488 5.990 1.00 0.58 H new ATOM 0 HG2 MET A 85 -4.752 1.409 6.061 1.00 0.74 H new ATOM 0 HG3 MET A 85 -6.369 2.065 6.222 1.00 0.74 H new ATOM 0 HE1 MET A 85 -3.569 0.412 9.090 1.00 0.69 H new ATOM 0 HE2 MET A 85 -4.327 -1.100 8.536 1.00 0.69 H new ATOM 0 HE3 MET A 85 -3.616 0.024 7.354 1.00 0.69 H new ATOM 1336 N LEU A 86 -5.858 -3.260 5.268 1.00 0.49 N ATOM 1337 CA LEU A 86 -6.367 -4.590 4.931 1.00 0.51 C ATOM 1338 C LEU A 86 -7.556 -4.917 5.840 1.00 0.47 C ATOM 1339 O LEU A 86 -7.382 -5.008 7.055 1.00 0.63 O ATOM 1340 CB LEU A 86 -5.243 -5.632 5.126 1.00 0.65 C ATOM 1341 CG LEU A 86 -3.930 -5.374 4.362 1.00 0.96 C ATOM 1342 CD1 LEU A 86 -2.919 -6.476 4.703 1.00 2.11 C ATOM 1343 CD2 LEU A 86 -4.156 -5.334 2.847 1.00 1.06 C ATOM 0 H LEU A 86 -5.494 -3.210 6.220 1.00 0.49 H new ATOM 0 HA LEU A 86 -6.694 -4.613 3.892 1.00 0.51 H new ATOM 0 HB2 LEU A 86 -5.013 -5.692 6.190 1.00 0.65 H new ATOM 0 HB3 LEU A 86 -5.626 -6.608 4.827 1.00 0.65 H new ATOM 0 HG LEU A 86 -3.545 -4.401 4.668 1.00 0.96 H new ATOM 0 HD11 LEU A 86 -1.989 -6.296 4.164 1.00 2.11 H new ATOM 0 HD12 LEU A 86 -2.724 -6.471 5.775 1.00 2.11 H new ATOM 0 HD13 LEU A 86 -3.325 -7.445 4.413 1.00 2.11 H new ATOM 0 HD21 LEU A 86 -3.208 -5.150 2.342 1.00 1.06 H new ATOM 0 HD22 LEU A 86 -4.565 -6.288 2.515 1.00 1.06 H new ATOM 0 HD23 LEU A 86 -4.857 -4.535 2.605 1.00 1.06 H new ATOM 1355 N LEU A 87 -8.744 -5.096 5.262 1.00 0.56 N ATOM 1356 CA LEU A 87 -10.003 -5.383 5.956 1.00 0.71 C ATOM 1357 C LEU A 87 -10.652 -6.662 5.414 1.00 0.87 C ATOM 1358 O LEU A 87 -10.624 -6.940 4.212 1.00 1.16 O ATOM 1359 CB LEU A 87 -10.939 -4.170 5.762 1.00 0.76 C ATOM 1360 CG LEU A 87 -10.883 -3.166 6.926 1.00 0.91 C ATOM 1361 CD1 LEU A 87 -11.371 -1.785 6.467 1.00 1.61 C ATOM 1362 CD2 LEU A 87 -11.769 -3.663 8.080 1.00 2.63 C ATOM 0 H LEU A 87 -8.862 -5.043 4.250 1.00 0.56 H new ATOM 0 HA LEU A 87 -9.813 -5.547 7.017 1.00 0.71 H new ATOM 0 HB2 LEU A 87 -10.673 -3.659 4.837 1.00 0.76 H new ATOM 0 HB3 LEU A 87 -11.963 -4.525 5.646 1.00 0.76 H new ATOM 0 HG LEU A 87 -9.850 -3.081 7.265 1.00 0.91 H new ATOM 0 HD11 LEU A 87 -11.325 -1.087 7.303 1.00 1.61 H new ATOM 0 HD12 LEU A 87 -10.736 -1.425 5.658 1.00 1.61 H new ATOM 0 HD13 LEU A 87 -12.399 -1.861 6.114 1.00 1.61 H new ATOM 0 HD21 LEU A 87 -11.728 -2.950 8.903 1.00 2.63 H new ATOM 0 HD22 LEU A 87 -12.798 -3.758 7.734 1.00 2.63 H new ATOM 0 HD23 LEU A 87 -11.410 -4.634 8.422 1.00 2.63 H new ATOM 1374 N GLY A 88 -11.261 -7.455 6.303 1.00 0.98 N ATOM 1375 CA GLY A 88 -11.864 -8.737 5.919 1.00 1.22 C ATOM 1376 C GLY A 88 -10.772 -9.764 5.634 1.00 1.12 C ATOM 1377 O GLY A 88 -10.662 -10.228 4.501 1.00 1.59 O ATOM 0 H GLY A 88 -11.349 -7.231 7.294 1.00 0.98 H new ATOM 0 HA2 GLY A 88 -12.513 -9.096 6.718 1.00 1.22 H new ATOM 0 HA3 GLY A 88 -12.489 -8.604 5.036 1.00 1.22 H new ATOM 1381 N LEU A 89 -9.922 -10.057 6.629 1.00 0.85 N ATOM 1382 CA LEU A 89 -8.774 -10.954 6.454 1.00 0.75 C ATOM 1383 C LEU A 89 -9.218 -12.399 6.185 1.00 0.84 C ATOM 1384 O LEU A 89 -10.017 -12.982 6.910 1.00 1.19 O ATOM 1385 CB LEU A 89 -7.794 -10.878 7.643 1.00 0.85 C ATOM 1386 CG LEU A 89 -7.174 -9.494 7.936 1.00 0.70 C ATOM 1387 CD1 LEU A 89 -6.040 -9.652 8.958 1.00 0.85 C ATOM 1388 CD2 LEU A 89 -6.613 -8.779 6.696 1.00 0.80 C ATOM 0 H LEU A 89 -10.011 -9.680 7.573 1.00 0.85 H new ATOM 0 HA LEU A 89 -8.236 -10.608 5.572 1.00 0.75 H new ATOM 0 HB2 LEU A 89 -8.317 -11.214 8.538 1.00 0.85 H new ATOM 0 HB3 LEU A 89 -6.983 -11.584 7.463 1.00 0.85 H new ATOM 0 HG LEU A 89 -7.987 -8.876 8.318 1.00 0.70 H new ATOM 0 HD11 LEU A 89 -5.600 -8.677 9.167 1.00 0.85 H new ATOM 0 HD12 LEU A 89 -6.438 -10.076 9.880 1.00 0.85 H new ATOM 0 HD13 LEU A 89 -5.276 -10.316 8.554 1.00 0.85 H new ATOM 0 HD21 LEU A 89 -6.197 -7.815 6.989 1.00 0.80 H new ATOM 0 HD22 LEU A 89 -5.831 -9.391 6.246 1.00 0.80 H new ATOM 0 HD23 LEU A 89 -7.413 -8.624 5.972 1.00 0.80 H new ATOM 1400 N LYS A 90 -8.663 -12.991 5.129 1.00 0.78 N ATOM 1401 CA LYS A 90 -9.010 -14.332 4.642 1.00 0.90 C ATOM 1402 C LYS A 90 -8.176 -15.448 5.310 1.00 0.89 C ATOM 1403 O LYS A 90 -8.492 -16.631 5.172 1.00 1.00 O ATOM 1404 CB LYS A 90 -8.855 -14.325 3.114 1.00 1.11 C ATOM 1405 CG LYS A 90 -9.777 -13.306 2.420 1.00 0.93 C ATOM 1406 CD LYS A 90 -9.564 -13.287 0.898 1.00 1.73 C ATOM 1407 CE LYS A 90 -10.548 -12.364 0.175 1.00 1.81 C ATOM 1408 NZ LYS A 90 -11.947 -12.838 0.268 1.00 1.38 N ATOM 0 H LYS A 90 -7.938 -12.541 4.570 1.00 0.78 H new ATOM 0 HA LYS A 90 -10.040 -14.562 4.913 1.00 0.90 H new ATOM 0 HB2 LYS A 90 -7.819 -14.101 2.861 1.00 1.11 H new ATOM 0 HB3 LYS A 90 -9.069 -15.322 2.728 1.00 1.11 H new ATOM 0 HG2 LYS A 90 -10.817 -13.549 2.638 1.00 0.93 H new ATOM 0 HG3 LYS A 90 -9.590 -12.312 2.826 1.00 0.93 H new ATOM 0 HD2 LYS A 90 -8.545 -12.966 0.682 1.00 1.73 H new ATOM 0 HD3 LYS A 90 -9.668 -14.299 0.508 1.00 1.73 H new ATOM 0 HE2 LYS A 90 -10.479 -11.362 0.599 1.00 1.81 H new ATOM 0 HE3 LYS A 90 -10.264 -12.287 -0.874 1.00 1.81 H new ATOM 0 HZ1 LYS A 90 -12.549 -12.268 -0.360 1.00 1.38 H new ATOM 0 HZ2 LYS A 90 -11.995 -13.837 -0.019 1.00 1.38 H new ATOM 0 HZ3 LYS A 90 -12.281 -12.743 1.248 1.00 1.38 H new ATOM 1422 N ARG A 91 -7.129 -15.075 6.062 1.00 0.95 N ATOM 1423 CA ARG A 91 -6.425 -15.926 7.031 1.00 1.14 C ATOM 1424 C ARG A 91 -5.735 -15.059 8.102 1.00 1.06 C ATOM 1425 O ARG A 91 -5.227 -13.992 7.753 1.00 0.98 O ATOM 1426 CB ARG A 91 -5.415 -16.870 6.336 1.00 1.48 C ATOM 1427 CG ARG A 91 -4.106 -16.211 5.853 1.00 1.92 C ATOM 1428 CD ARG A 91 -3.198 -17.225 5.140 1.00 2.09 C ATOM 1429 NE ARG A 91 -1.828 -16.707 4.965 1.00 3.35 N ATOM 1430 CZ ARG A 91 -1.176 -16.416 3.846 1.00 4.30 C ATOM 1431 NH1 ARG A 91 -1.663 -16.606 2.640 1.00 4.54 N ATOM 1432 NH2 ARG A 91 0.024 -15.908 3.953 1.00 5.90 N ATOM 0 H ARG A 91 -6.735 -14.136 6.009 1.00 0.95 H new ATOM 0 HA ARG A 91 -7.164 -16.558 7.523 1.00 1.14 H new ATOM 0 HB2 ARG A 91 -5.162 -17.674 7.027 1.00 1.48 H new ATOM 0 HB3 ARG A 91 -5.906 -17.330 5.479 1.00 1.48 H new ATOM 0 HG2 ARG A 91 -4.339 -15.389 5.176 1.00 1.92 H new ATOM 0 HG3 ARG A 91 -3.577 -15.782 6.704 1.00 1.92 H new ATOM 0 HD2 ARG A 91 -3.166 -18.151 5.715 1.00 2.09 H new ATOM 0 HD3 ARG A 91 -3.621 -17.469 4.166 1.00 2.09 H new ATOM 0 HE ARG A 91 -1.307 -16.550 5.828 1.00 3.35 H new ATOM 0 HH11 ARG A 91 -2.597 -17.000 2.523 1.00 4.54 H new ATOM 0 HH12 ARG A 91 -1.107 -16.360 1.821 1.00 4.54 H new ATOM 0 HH21 ARG A 91 0.430 -15.748 4.875 1.00 5.90 H new ATOM 0 HH22 ARG A 91 0.555 -15.672 3.114 1.00 5.90 H new ATOM 1446 N PRO A 92 -5.641 -15.519 9.366 1.00 1.25 N ATOM 1447 CA PRO A 92 -4.639 -15.006 10.281 1.00 1.26 C ATOM 1448 C PRO A 92 -3.272 -15.471 9.770 1.00 1.44 C ATOM 1449 O PRO A 92 -3.063 -16.655 9.483 1.00 1.79 O ATOM 1450 CB PRO A 92 -4.991 -15.576 11.653 1.00 1.54 C ATOM 1451 CG PRO A 92 -5.685 -16.899 11.317 1.00 1.81 C ATOM 1452 CD PRO A 92 -6.360 -16.634 9.968 1.00 1.60 C ATOM 0 HA PRO A 92 -4.609 -13.919 10.350 1.00 1.26 H new ATOM 0 HB2 PRO A 92 -4.102 -15.732 12.264 1.00 1.54 H new ATOM 0 HB3 PRO A 92 -5.647 -14.907 12.210 1.00 1.54 H new ATOM 0 HG2 PRO A 92 -4.970 -17.719 11.251 1.00 1.81 H new ATOM 0 HG3 PRO A 92 -6.413 -17.172 12.080 1.00 1.81 H new ATOM 0 HD2 PRO A 92 -6.314 -17.517 9.330 1.00 1.60 H new ATOM 0 HD3 PRO A 92 -7.414 -16.391 10.101 1.00 1.60 H new ATOM 1460 N LEU A 93 -2.363 -14.512 9.614 1.00 1.42 N ATOM 1461 CA LEU A 93 -1.063 -14.710 8.970 1.00 1.68 C ATOM 1462 C LEU A 93 -0.007 -15.185 9.980 1.00 1.70 C ATOM 1463 O LEU A 93 -0.237 -15.152 11.188 1.00 2.27 O ATOM 1464 CB LEU A 93 -0.627 -13.430 8.220 1.00 1.78 C ATOM 1465 CG LEU A 93 -1.660 -12.861 7.217 1.00 1.89 C ATOM 1466 CD1 LEU A 93 -2.585 -11.807 7.853 1.00 2.20 C ATOM 1467 CD2 LEU A 93 -0.925 -12.202 6.043 1.00 2.41 C ATOM 0 H LEU A 93 -2.510 -13.556 9.937 1.00 1.42 H new ATOM 0 HA LEU A 93 -1.162 -15.502 8.228 1.00 1.68 H new ATOM 0 HB2 LEU A 93 -0.398 -12.659 8.956 1.00 1.78 H new ATOM 0 HB3 LEU A 93 0.297 -13.642 7.682 1.00 1.78 H new ATOM 0 HG LEU A 93 -2.273 -13.699 6.885 1.00 1.89 H new ATOM 0 HD11 LEU A 93 -3.289 -11.442 7.105 1.00 2.20 H new ATOM 0 HD12 LEU A 93 -3.135 -12.257 8.680 1.00 2.20 H new ATOM 0 HD13 LEU A 93 -1.987 -10.975 8.225 1.00 2.20 H new ATOM 0 HD21 LEU A 93 -1.652 -11.802 5.337 1.00 2.41 H new ATOM 0 HD22 LEU A 93 -0.297 -11.393 6.415 1.00 2.41 H new ATOM 0 HD23 LEU A 93 -0.303 -12.943 5.541 1.00 2.41 H new ATOM 1479 N LYS A 94 1.153 -15.646 9.514 1.00 1.42 N ATOM 1480 CA LYS A 94 2.333 -15.841 10.376 1.00 1.51 C ATOM 1481 C LYS A 94 3.520 -15.048 9.844 1.00 1.40 C ATOM 1482 O LYS A 94 3.739 -15.019 8.634 1.00 1.71 O ATOM 1483 CB LYS A 94 2.804 -17.311 10.499 1.00 2.01 C ATOM 1484 CG LYS A 94 1.764 -18.426 10.421 1.00 2.02 C ATOM 1485 CD LYS A 94 0.638 -18.344 11.466 1.00 3.26 C ATOM 1486 CE LYS A 94 -0.805 -18.204 10.930 1.00 4.63 C ATOM 1487 NZ LYS A 94 -1.061 -18.822 9.601 1.00 5.03 N ATOM 0 H LYS A 94 1.308 -15.895 8.537 1.00 1.42 H new ATOM 0 HA LYS A 94 2.008 -15.500 11.359 1.00 1.51 H new ATOM 0 HB2 LYS A 94 3.538 -17.489 9.713 1.00 2.01 H new ATOM 0 HB3 LYS A 94 3.325 -17.412 11.451 1.00 2.01 H new ATOM 0 HG2 LYS A 94 1.317 -18.416 9.427 1.00 2.02 H new ATOM 0 HG3 LYS A 94 2.272 -19.384 10.532 1.00 2.02 H new ATOM 0 HD2 LYS A 94 0.684 -19.240 12.085 1.00 3.26 H new ATOM 0 HD3 LYS A 94 0.842 -17.495 12.118 1.00 3.26 H new ATOM 0 HE2 LYS A 94 -1.487 -18.649 11.655 1.00 4.63 H new ATOM 0 HE3 LYS A 94 -1.050 -17.144 10.871 1.00 4.63 H new ATOM 0 HZ1 LYS A 94 -2.083 -18.823 9.410 1.00 5.03 H new ATOM 0 HZ2 LYS A 94 -0.571 -18.276 8.864 1.00 5.03 H new ATOM 0 HZ3 LYS A 94 -0.708 -19.800 9.599 1.00 5.03 H new ATOM 1501 N ALA A 95 4.353 -14.549 10.754 1.00 1.38 N ATOM 1502 CA ALA A 95 5.727 -14.182 10.393 1.00 1.32 C ATOM 1503 C ALA A 95 6.406 -15.374 9.683 1.00 1.33 C ATOM 1504 O ALA A 95 6.368 -16.490 10.199 1.00 1.49 O ATOM 1505 CB ALA A 95 6.491 -13.749 11.648 1.00 1.43 C ATOM 0 H ALA A 95 4.110 -14.390 11.732 1.00 1.38 H new ATOM 0 HA ALA A 95 5.725 -13.339 9.702 1.00 1.32 H new ATOM 0 HB1 ALA A 95 7.511 -13.477 11.377 1.00 1.43 H new ATOM 0 HB2 ALA A 95 5.994 -12.890 12.098 1.00 1.43 H new ATOM 0 HB3 ALA A 95 6.512 -14.572 12.363 1.00 1.43 H new ATOM 1511 N GLY A 96 6.951 -15.150 8.483 1.00 1.32 N ATOM 1512 CA GLY A 96 7.506 -16.215 7.638 1.00 1.48 C ATOM 1513 C GLY A 96 6.516 -16.884 6.673 1.00 1.55 C ATOM 1514 O GLY A 96 6.897 -17.866 6.043 1.00 1.90 O ATOM 0 H GLY A 96 7.020 -14.221 8.068 1.00 1.32 H new ATOM 0 HA2 GLY A 96 8.328 -15.800 7.055 1.00 1.48 H new ATOM 0 HA3 GLY A 96 7.930 -16.983 8.285 1.00 1.48 H new ATOM 1518 N GLU A 97 5.289 -16.372 6.513 1.00 1.48 N ATOM 1519 CA GLU A 97 4.482 -16.633 5.321 1.00 1.48 C ATOM 1520 C GLU A 97 4.837 -15.606 4.226 1.00 1.34 C ATOM 1521 O GLU A 97 5.545 -14.628 4.475 1.00 1.33 O ATOM 1522 CB GLU A 97 2.984 -16.539 5.658 1.00 1.62 C ATOM 1523 CG GLU A 97 2.415 -17.663 6.542 1.00 2.05 C ATOM 1524 CD GLU A 97 0.917 -17.474 6.829 1.00 1.96 C ATOM 1525 OE1 GLU A 97 0.403 -16.349 6.651 1.00 2.51 O ATOM 1526 OE2 GLU A 97 0.233 -18.428 7.254 1.00 2.76 O ATOM 0 H GLU A 97 4.834 -15.771 7.200 1.00 1.48 H new ATOM 0 HA GLU A 97 4.695 -17.639 4.961 1.00 1.48 H new ATOM 0 HB2 GLU A 97 2.804 -15.587 6.157 1.00 1.62 H new ATOM 0 HB3 GLU A 97 2.423 -16.521 4.724 1.00 1.62 H new ATOM 0 HG2 GLU A 97 2.571 -18.623 6.051 1.00 2.05 H new ATOM 0 HG3 GLU A 97 2.963 -17.694 7.484 1.00 2.05 H new ATOM 1533 N GLU A 98 4.278 -15.790 3.030 1.00 1.37 N ATOM 1534 CA GLU A 98 4.262 -14.818 1.931 1.00 1.31 C ATOM 1535 C GLU A 98 2.813 -14.441 1.580 1.00 1.22 C ATOM 1536 O GLU A 98 1.863 -15.185 1.870 1.00 1.54 O ATOM 1537 CB GLU A 98 4.963 -15.411 0.696 1.00 1.51 C ATOM 1538 CG GLU A 98 6.496 -15.300 0.756 1.00 2.16 C ATOM 1539 CD GLU A 98 7.009 -14.265 -0.245 1.00 3.10 C ATOM 1540 OE1 GLU A 98 7.067 -14.617 -1.441 1.00 3.42 O ATOM 1541 OE2 GLU A 98 7.299 -13.125 0.181 1.00 4.47 O ATOM 0 H GLU A 98 3.802 -16.659 2.788 1.00 1.37 H new ATOM 0 HA GLU A 98 4.794 -13.920 2.246 1.00 1.31 H new ATOM 0 HB2 GLU A 98 4.685 -16.460 0.598 1.00 1.51 H new ATOM 0 HB3 GLU A 98 4.603 -14.901 -0.198 1.00 1.51 H new ATOM 0 HG2 GLU A 98 6.805 -15.021 1.763 1.00 2.16 H new ATOM 0 HG3 GLU A 98 6.943 -16.271 0.542 1.00 2.16 H new ATOM 1548 N VAL A 99 2.651 -13.285 0.938 1.00 0.96 N ATOM 1549 CA VAL A 99 1.379 -12.728 0.455 1.00 0.88 C ATOM 1550 C VAL A 99 1.525 -12.251 -0.986 1.00 0.86 C ATOM 1551 O VAL A 99 2.308 -11.353 -1.280 1.00 0.96 O ATOM 1552 CB VAL A 99 0.908 -11.544 1.330 1.00 0.94 C ATOM 1553 CG1 VAL A 99 -0.377 -10.911 0.760 1.00 0.99 C ATOM 1554 CG2 VAL A 99 0.665 -12.041 2.764 1.00 1.01 C ATOM 0 H VAL A 99 3.442 -12.677 0.728 1.00 0.96 H new ATOM 0 HA VAL A 99 0.635 -13.522 0.512 1.00 0.88 H new ATOM 0 HB VAL A 99 1.683 -10.778 1.333 1.00 0.94 H new ATOM 0 HG11 VAL A 99 -0.686 -10.081 1.395 1.00 0.99 H new ATOM 0 HG12 VAL A 99 -0.186 -10.545 -0.249 1.00 0.99 H new ATOM 0 HG13 VAL A 99 -1.169 -11.659 0.730 1.00 0.99 H new ATOM 0 HG21 VAL A 99 0.333 -11.210 3.386 1.00 1.01 H new ATOM 0 HG22 VAL A 99 -0.101 -12.817 2.755 1.00 1.01 H new ATOM 0 HG23 VAL A 99 1.591 -12.450 3.169 1.00 1.01 H new ATOM 1564 N GLU A 100 0.719 -12.833 -1.871 1.00 0.81 N ATOM 1565 CA GLU A 100 0.598 -12.432 -3.274 1.00 0.86 C ATOM 1566 C GLU A 100 -0.367 -11.235 -3.408 1.00 0.75 C ATOM 1567 O GLU A 100 -1.300 -11.104 -2.602 1.00 0.85 O ATOM 1568 CB GLU A 100 0.165 -13.677 -4.068 1.00 1.16 C ATOM 1569 CG GLU A 100 0.427 -13.589 -5.574 1.00 1.48 C ATOM 1570 CD GLU A 100 -0.862 -13.407 -6.363 1.00 2.13 C ATOM 1571 OE1 GLU A 100 -1.583 -12.418 -6.125 1.00 3.29 O ATOM 1572 OE2 GLU A 100 -1.115 -14.194 -7.298 1.00 2.53 O ATOM 0 H GLU A 100 0.115 -13.618 -1.627 1.00 0.81 H new ATOM 0 HA GLU A 100 1.545 -12.079 -3.682 1.00 0.86 H new ATOM 0 HB2 GLU A 100 0.688 -14.547 -3.671 1.00 1.16 H new ATOM 0 HB3 GLU A 100 -0.900 -13.844 -3.906 1.00 1.16 H new ATOM 0 HG2 GLU A 100 1.099 -12.755 -5.778 1.00 1.48 H new ATOM 0 HG3 GLU A 100 0.933 -14.495 -5.908 1.00 1.48 H new ATOM 1579 N LEU A 101 -0.131 -10.330 -4.369 1.00 0.75 N ATOM 1580 CA LEU A 101 -0.921 -9.110 -4.542 1.00 0.71 C ATOM 1581 C LEU A 101 -0.846 -8.543 -5.976 1.00 0.74 C ATOM 1582 O LEU A 101 0.213 -8.532 -6.605 1.00 0.90 O ATOM 1583 CB LEU A 101 -0.503 -8.138 -3.411 1.00 0.74 C ATOM 1584 CG LEU A 101 -1.285 -6.859 -3.120 1.00 1.00 C ATOM 1585 CD1 LEU A 101 -0.830 -6.272 -1.774 1.00 1.31 C ATOM 1586 CD2 LEU A 101 -1.121 -5.821 -4.226 1.00 1.85 C ATOM 0 H LEU A 101 0.620 -10.428 -5.052 1.00 0.75 H new ATOM 0 HA LEU A 101 -1.988 -9.311 -4.442 1.00 0.71 H new ATOM 0 HB2 LEU A 101 -0.489 -8.716 -2.487 1.00 0.74 H new ATOM 0 HB3 LEU A 101 0.525 -7.839 -3.616 1.00 0.74 H new ATOM 0 HG LEU A 101 -2.343 -7.119 -3.074 1.00 1.00 H new ATOM 0 HD11 LEU A 101 -1.389 -5.359 -1.568 1.00 1.31 H new ATOM 0 HD12 LEU A 101 -1.013 -6.997 -0.981 1.00 1.31 H new ATOM 0 HD13 LEU A 101 0.235 -6.043 -1.818 1.00 1.31 H new ATOM 0 HD21 LEU A 101 -1.695 -4.929 -3.976 1.00 1.85 H new ATOM 0 HD22 LEU A 101 -0.068 -5.559 -4.326 1.00 1.85 H new ATOM 0 HD23 LEU A 101 -1.483 -6.233 -5.168 1.00 1.85 H new ATOM 1598 N ASP A 102 -1.978 -8.054 -6.489 1.00 0.68 N ATOM 1599 CA ASP A 102 -2.161 -7.356 -7.772 1.00 0.77 C ATOM 1600 C ASP A 102 -2.344 -5.839 -7.570 1.00 0.73 C ATOM 1601 O ASP A 102 -3.346 -5.416 -6.990 1.00 0.79 O ATOM 1602 CB ASP A 102 -3.429 -7.925 -8.454 1.00 0.92 C ATOM 1603 CG ASP A 102 -3.118 -8.952 -9.543 1.00 1.44 C ATOM 1604 OD1 ASP A 102 -2.154 -8.752 -10.315 1.00 2.93 O ATOM 1605 OD2 ASP A 102 -3.820 -9.990 -9.559 1.00 1.61 O ATOM 0 H ASP A 102 -2.859 -8.140 -5.983 1.00 0.68 H new ATOM 0 HA ASP A 102 -1.273 -7.511 -8.385 1.00 0.77 H new ATOM 0 HB2 ASP A 102 -4.064 -8.388 -7.698 1.00 0.92 H new ATOM 0 HB3 ASP A 102 -3.999 -7.104 -8.890 1.00 0.92 H new ATOM 1610 N LEU A 103 -1.425 -4.996 -8.054 1.00 0.68 N ATOM 1611 CA LEU A 103 -1.554 -3.542 -8.003 1.00 0.58 C ATOM 1612 C LEU A 103 -2.543 -3.071 -9.071 1.00 0.53 C ATOM 1613 O LEU A 103 -2.346 -3.337 -10.258 1.00 0.56 O ATOM 1614 CB LEU A 103 -0.189 -2.900 -8.280 1.00 0.64 C ATOM 1615 CG LEU A 103 0.919 -3.063 -7.231 1.00 0.92 C ATOM 1616 CD1 LEU A 103 0.539 -2.485 -5.862 1.00 2.31 C ATOM 1617 CD2 LEU A 103 1.466 -4.481 -7.076 1.00 2.41 C ATOM 0 H LEU A 103 -0.562 -5.312 -8.497 1.00 0.68 H new ATOM 0 HA LEU A 103 -1.913 -3.251 -7.016 1.00 0.58 H new ATOM 0 HB2 LEU A 103 0.183 -3.304 -9.222 1.00 0.64 H new ATOM 0 HB3 LEU A 103 -0.349 -1.832 -8.432 1.00 0.64 H new ATOM 0 HG LEU A 103 1.734 -2.470 -7.645 1.00 0.92 H new ATOM 0 HD11 LEU A 103 1.363 -2.631 -5.164 1.00 2.31 H new ATOM 0 HD12 LEU A 103 0.332 -1.419 -5.962 1.00 2.31 H new ATOM 0 HD13 LEU A 103 -0.349 -2.993 -5.486 1.00 2.31 H new ATOM 0 HD21 LEU A 103 2.243 -4.490 -6.312 1.00 2.41 H new ATOM 0 HD22 LEU A 103 0.659 -5.152 -6.781 1.00 2.41 H new ATOM 0 HD23 LEU A 103 1.887 -4.814 -8.025 1.00 2.41 H new ATOM 1629 N LEU A 104 -3.572 -2.325 -8.666 1.00 0.51 N ATOM 1630 CA LEU A 104 -4.615 -1.847 -9.580 1.00 0.52 C ATOM 1631 C LEU A 104 -4.281 -0.439 -10.078 1.00 0.51 C ATOM 1632 O LEU A 104 -4.106 0.483 -9.275 1.00 0.51 O ATOM 1633 CB LEU A 104 -5.991 -1.847 -8.888 1.00 0.55 C ATOM 1634 CG LEU A 104 -6.407 -3.138 -8.172 1.00 0.57 C ATOM 1635 CD1 LEU A 104 -7.830 -2.981 -7.621 1.00 0.63 C ATOM 1636 CD2 LEU A 104 -6.321 -4.387 -9.062 1.00 0.60 C ATOM 0 H LEU A 104 -3.707 -2.035 -7.698 1.00 0.51 H new ATOM 0 HA LEU A 104 -4.656 -2.525 -10.432 1.00 0.52 H new ATOM 0 HB2 LEU A 104 -6.005 -1.036 -8.160 1.00 0.55 H new ATOM 0 HB3 LEU A 104 -6.748 -1.616 -9.638 1.00 0.55 H new ATOM 0 HG LEU A 104 -5.697 -3.293 -7.360 1.00 0.57 H new ATOM 0 HD11 LEU A 104 -8.126 -3.898 -7.112 1.00 0.63 H new ATOM 0 HD12 LEU A 104 -7.858 -2.150 -6.916 1.00 0.63 H new ATOM 0 HD13 LEU A 104 -8.519 -2.783 -8.443 1.00 0.63 H new ATOM 0 HD21 LEU A 104 -6.630 -5.263 -8.491 1.00 0.60 H new ATOM 0 HD22 LEU A 104 -6.978 -4.266 -9.924 1.00 0.60 H new ATOM 0 HD23 LEU A 104 -5.295 -4.520 -9.404 1.00 0.60 H new ATOM 1648 N PHE A 105 -4.267 -0.229 -11.396 1.00 0.55 N ATOM 1649 CA PHE A 105 -3.987 1.072 -12.011 1.00 0.57 C ATOM 1650 C PHE A 105 -5.111 1.521 -12.962 1.00 0.62 C ATOM 1651 O PHE A 105 -5.844 0.723 -13.548 1.00 0.96 O ATOM 1652 CB PHE A 105 -2.654 1.000 -12.768 1.00 0.65 C ATOM 1653 CG PHE A 105 -1.433 0.635 -11.948 1.00 0.60 C ATOM 1654 CD1 PHE A 105 -0.699 1.631 -11.276 1.00 1.82 C ATOM 1655 CD2 PHE A 105 -0.992 -0.700 -11.907 1.00 1.59 C ATOM 1656 CE1 PHE A 105 0.472 1.295 -10.574 1.00 1.79 C ATOM 1657 CE2 PHE A 105 0.178 -1.033 -11.207 1.00 1.63 C ATOM 1658 CZ PHE A 105 0.916 -0.039 -10.542 1.00 0.61 C ATOM 0 H PHE A 105 -4.452 -0.967 -12.076 1.00 0.55 H new ATOM 0 HA PHE A 105 -3.926 1.813 -11.214 1.00 0.57 H new ATOM 0 HB2 PHE A 105 -2.756 0.271 -13.572 1.00 0.65 H new ATOM 0 HB3 PHE A 105 -2.474 1.968 -13.236 1.00 0.65 H new ATOM 0 HD1 PHE A 105 -1.037 2.657 -11.300 1.00 1.82 H new ATOM 0 HD2 PHE A 105 -1.554 -1.470 -12.415 1.00 1.59 H new ATOM 0 HE1 PHE A 105 1.031 2.062 -10.059 1.00 1.79 H new ATOM 0 HE2 PHE A 105 0.513 -2.059 -11.179 1.00 1.63 H new ATOM 0 HZ PHE A 105 1.819 -0.298 -10.009 1.00 0.61 H new ATOM 1668 N ALA A 106 -5.225 2.841 -13.139 1.00 0.50 N ATOM 1669 CA ALA A 106 -6.307 3.476 -13.894 1.00 0.57 C ATOM 1670 C ALA A 106 -6.396 3.015 -15.367 1.00 1.14 C ATOM 1671 O ALA A 106 -5.420 3.061 -16.124 1.00 1.94 O ATOM 1672 CB ALA A 106 -6.151 4.999 -13.780 1.00 1.34 C ATOM 0 H ALA A 106 -4.556 3.508 -12.755 1.00 0.50 H new ATOM 0 HA ALA A 106 -7.254 3.161 -13.455 1.00 0.57 H new ATOM 0 HB1 ALA A 106 -6.949 5.489 -14.337 1.00 1.34 H new ATOM 0 HB2 ALA A 106 -6.206 5.293 -12.732 1.00 1.34 H new ATOM 0 HB3 ALA A 106 -5.186 5.298 -14.190 1.00 1.34 H new ATOM 1678 N GLY A 107 -7.596 2.598 -15.790 1.00 1.78 N ATOM 1679 CA GLY A 107 -7.906 2.253 -17.184 1.00 2.65 C ATOM 1680 C GLY A 107 -7.320 0.916 -17.641 1.00 2.31 C ATOM 1681 O GLY A 107 -6.655 0.873 -18.676 1.00 3.68 O ATOM 0 H GLY A 107 -8.393 2.489 -15.163 1.00 1.78 H new ATOM 0 HA2 GLY A 107 -8.989 2.224 -17.308 1.00 2.65 H new ATOM 0 HA3 GLY A 107 -7.531 3.043 -17.835 1.00 2.65 H new ATOM 1685 N GLY A 108 -7.531 -0.159 -16.877 1.00 1.28 N ATOM 1686 CA GLY A 108 -7.271 -1.538 -17.322 1.00 1.34 C ATOM 1687 C GLY A 108 -5.822 -2.016 -17.215 1.00 1.12 C ATOM 1688 O GLY A 108 -5.482 -3.036 -17.804 1.00 1.51 O ATOM 0 H GLY A 108 -7.890 -0.100 -15.924 1.00 1.28 H new ATOM 0 HA2 GLY A 108 -7.899 -2.211 -16.738 1.00 1.34 H new ATOM 0 HA3 GLY A 108 -7.587 -1.629 -18.361 1.00 1.34 H new ATOM 1692 N LYS A 109 -4.951 -1.316 -16.481 1.00 0.84 N ATOM 1693 CA LYS A 109 -3.627 -1.827 -16.123 1.00 0.91 C ATOM 1694 C LYS A 109 -3.680 -2.501 -14.742 1.00 0.87 C ATOM 1695 O LYS A 109 -4.213 -1.915 -13.805 1.00 0.87 O ATOM 1696 CB LYS A 109 -2.621 -0.664 -16.098 1.00 0.97 C ATOM 1697 CG LYS A 109 -1.956 -0.346 -17.445 1.00 1.43 C ATOM 1698 CD LYS A 109 -2.868 0.343 -18.471 1.00 2.67 C ATOM 1699 CE LYS A 109 -3.294 1.729 -17.967 1.00 3.70 C ATOM 1700 NZ LYS A 109 -4.300 2.363 -18.849 1.00 4.74 N ATOM 0 H LYS A 109 -5.145 -0.382 -16.120 1.00 0.84 H new ATOM 0 HA LYS A 109 -3.312 -2.563 -16.862 1.00 0.91 H new ATOM 0 HB2 LYS A 109 -3.133 0.231 -15.743 1.00 0.97 H new ATOM 0 HB3 LYS A 109 -1.842 -0.894 -15.372 1.00 0.97 H new ATOM 0 HG2 LYS A 109 -1.090 0.291 -17.265 1.00 1.43 H new ATOM 0 HG3 LYS A 109 -1.584 -1.275 -17.878 1.00 1.43 H new ATOM 0 HD2 LYS A 109 -2.346 0.440 -19.423 1.00 2.67 H new ATOM 0 HD3 LYS A 109 -3.750 -0.271 -18.653 1.00 2.67 H new ATOM 0 HE2 LYS A 109 -3.703 1.637 -16.961 1.00 3.70 H new ATOM 0 HE3 LYS A 109 -2.417 2.373 -17.898 1.00 3.70 H new ATOM 0 HZ1 LYS A 109 -4.419 3.360 -18.579 1.00 4.74 H new ATOM 0 HZ2 LYS A 109 -3.980 2.307 -19.837 1.00 4.74 H new ATOM 0 HZ3 LYS A 109 -5.209 1.867 -18.751 1.00 4.74 H new ATOM 1714 N VAL A 110 -3.059 -3.669 -14.600 1.00 0.95 N ATOM 1715 CA VAL A 110 -2.901 -4.390 -13.335 1.00 0.87 C ATOM 1716 C VAL A 110 -1.615 -5.215 -13.391 1.00 0.92 C ATOM 1717 O VAL A 110 -1.295 -5.749 -14.455 1.00 1.08 O ATOM 1718 CB VAL A 110 -4.158 -5.234 -13.022 1.00 0.88 C ATOM 1719 CG1 VAL A 110 -4.539 -6.201 -14.159 1.00 1.04 C ATOM 1720 CG2 VAL A 110 -4.045 -6.018 -11.709 1.00 0.84 C ATOM 0 H VAL A 110 -2.636 -4.159 -15.389 1.00 0.95 H new ATOM 0 HA VAL A 110 -2.806 -3.687 -12.508 1.00 0.87 H new ATOM 0 HB VAL A 110 -4.953 -4.496 -12.917 1.00 0.88 H new ATOM 0 HG11 VAL A 110 -5.429 -6.763 -13.876 1.00 1.04 H new ATOM 0 HG12 VAL A 110 -4.742 -5.633 -15.067 1.00 1.04 H new ATOM 0 HG13 VAL A 110 -3.716 -6.892 -14.340 1.00 1.04 H new ATOM 0 HG21 VAL A 110 -4.959 -6.590 -11.547 1.00 0.84 H new ATOM 0 HG22 VAL A 110 -3.196 -6.699 -11.764 1.00 0.84 H new ATOM 0 HG23 VAL A 110 -3.900 -5.323 -10.882 1.00 0.84 H new ATOM 1730 N LEU A 111 -0.850 -5.251 -12.294 1.00 0.81 N ATOM 1731 CA LEU A 111 0.486 -5.861 -12.237 1.00 0.89 C ATOM 1732 C LEU A 111 0.701 -6.646 -10.936 1.00 0.94 C ATOM 1733 O LEU A 111 0.436 -6.152 -9.845 1.00 0.92 O ATOM 1734 CB LEU A 111 1.576 -4.773 -12.368 1.00 0.98 C ATOM 1735 CG LEU A 111 1.607 -3.993 -13.702 1.00 1.12 C ATOM 1736 CD1 LEU A 111 2.615 -2.838 -13.609 1.00 1.67 C ATOM 1737 CD2 LEU A 111 1.999 -4.891 -14.888 1.00 1.56 C ATOM 0 H LEU A 111 -1.146 -4.850 -11.404 1.00 0.81 H new ATOM 0 HA LEU A 111 0.559 -6.560 -13.070 1.00 0.89 H new ATOM 0 HB2 LEU A 111 1.445 -4.058 -11.556 1.00 0.98 H new ATOM 0 HB3 LEU A 111 2.549 -5.244 -12.224 1.00 0.98 H new ATOM 0 HG LEU A 111 0.600 -3.613 -13.875 1.00 1.12 H new ATOM 0 HD11 LEU A 111 2.632 -2.293 -14.553 1.00 1.67 H new ATOM 0 HD12 LEU A 111 2.322 -2.163 -12.805 1.00 1.67 H new ATOM 0 HD13 LEU A 111 3.608 -3.237 -13.403 1.00 1.67 H new ATOM 0 HD21 LEU A 111 2.008 -4.301 -15.804 1.00 1.56 H new ATOM 0 HD22 LEU A 111 2.991 -5.309 -14.716 1.00 1.56 H new ATOM 0 HD23 LEU A 111 1.276 -5.701 -14.985 1.00 1.56 H new ATOM 1749 N LYS A 112 1.257 -7.852 -11.050 1.00 1.23 N ATOM 1750 CA LYS A 112 1.504 -8.766 -9.931 1.00 1.34 C ATOM 1751 C LYS A 112 2.779 -8.415 -9.131 1.00 1.29 C ATOM 1752 O LYS A 112 3.844 -8.239 -9.724 1.00 1.77 O ATOM 1753 CB LYS A 112 1.630 -10.179 -10.539 1.00 2.05 C ATOM 1754 CG LYS A 112 1.697 -11.323 -9.510 1.00 2.21 C ATOM 1755 CD LYS A 112 0.387 -12.108 -9.387 1.00 1.63 C ATOM 1756 CE LYS A 112 -0.791 -11.202 -9.023 1.00 2.35 C ATOM 1757 NZ LYS A 112 -2.043 -11.962 -8.820 1.00 2.77 N ATOM 0 H LYS A 112 1.557 -8.232 -11.948 1.00 1.23 H new ATOM 0 HA LYS A 112 0.682 -8.694 -9.219 1.00 1.34 H new ATOM 0 HB2 LYS A 112 0.780 -10.352 -11.199 1.00 2.05 H new ATOM 0 HB3 LYS A 112 2.526 -10.214 -11.158 1.00 2.05 H new ATOM 0 HG2 LYS A 112 2.497 -12.008 -9.791 1.00 2.21 H new ATOM 0 HG3 LYS A 112 1.958 -10.910 -8.535 1.00 2.21 H new ATOM 0 HD2 LYS A 112 0.178 -12.614 -10.329 1.00 1.63 H new ATOM 0 HD3 LYS A 112 0.498 -12.882 -8.627 1.00 1.63 H new ATOM 0 HE2 LYS A 112 -0.553 -10.649 -8.114 1.00 2.35 H new ATOM 0 HE3 LYS A 112 -0.939 -10.467 -9.814 1.00 2.35 H new ATOM 0 HZ1 LYS A 112 -2.828 -11.469 -9.291 1.00 2.77 H new ATOM 0 HZ2 LYS A 112 -1.940 -12.915 -9.224 1.00 2.77 H new ATOM 0 HZ3 LYS A 112 -2.243 -12.037 -7.802 1.00 2.77 H new ATOM 1771 N VAL A 113 2.706 -8.447 -7.796 1.00 0.96 N ATOM 1772 CA VAL A 113 3.859 -8.631 -6.882 1.00 0.99 C ATOM 1773 C VAL A 113 3.595 -9.736 -5.839 1.00 0.88 C ATOM 1774 O VAL A 113 2.483 -10.250 -5.734 1.00 0.90 O ATOM 1775 CB VAL A 113 4.273 -7.325 -6.155 1.00 1.12 C ATOM 1776 CG1 VAL A 113 4.673 -6.219 -7.145 1.00 1.33 C ATOM 1777 CG2 VAL A 113 3.212 -6.836 -5.153 1.00 1.37 C ATOM 0 H VAL A 113 1.822 -8.343 -7.299 1.00 0.96 H new ATOM 0 HA VAL A 113 4.686 -8.934 -7.524 1.00 0.99 H new ATOM 0 HB VAL A 113 5.158 -7.573 -5.568 1.00 1.12 H new ATOM 0 HG11 VAL A 113 4.956 -5.322 -6.594 1.00 1.33 H new ATOM 0 HG12 VAL A 113 5.517 -6.557 -7.746 1.00 1.33 H new ATOM 0 HG13 VAL A 113 3.830 -5.993 -7.798 1.00 1.33 H new ATOM 0 HG21 VAL A 113 3.558 -5.919 -4.676 1.00 1.37 H new ATOM 0 HG22 VAL A 113 2.277 -6.641 -5.679 1.00 1.37 H new ATOM 0 HG23 VAL A 113 3.049 -7.601 -4.394 1.00 1.37 H new ATOM 1787 N VAL A 114 4.621 -10.070 -5.052 1.00 1.00 N ATOM 1788 CA VAL A 114 4.543 -10.861 -3.816 1.00 0.99 C ATOM 1789 C VAL A 114 5.343 -10.139 -2.715 1.00 1.03 C ATOM 1790 O VAL A 114 6.244 -9.353 -3.022 1.00 1.20 O ATOM 1791 CB VAL A 114 5.028 -12.313 -4.054 1.00 1.19 C ATOM 1792 CG1 VAL A 114 6.552 -12.414 -4.249 1.00 1.89 C ATOM 1793 CG2 VAL A 114 4.536 -13.271 -2.960 1.00 2.33 C ATOM 0 H VAL A 114 5.576 -9.783 -5.268 1.00 1.00 H new ATOM 0 HA VAL A 114 3.507 -10.943 -3.488 1.00 0.99 H new ATOM 0 HB VAL A 114 4.575 -12.628 -4.994 1.00 1.19 H new ATOM 0 HG11 VAL A 114 6.830 -13.455 -4.411 1.00 1.89 H new ATOM 0 HG12 VAL A 114 6.848 -11.820 -5.114 1.00 1.89 H new ATOM 0 HG13 VAL A 114 7.058 -12.038 -3.360 1.00 1.89 H new ATOM 0 HG21 VAL A 114 4.900 -14.277 -3.167 1.00 2.33 H new ATOM 0 HG22 VAL A 114 4.912 -12.941 -1.992 1.00 2.33 H new ATOM 0 HG23 VAL A 114 3.446 -13.275 -2.943 1.00 2.33 H new ATOM 1803 N LEU A 115 4.975 -10.369 -1.450 1.00 0.98 N ATOM 1804 CA LEU A 115 5.478 -9.694 -0.249 1.00 1.08 C ATOM 1805 C LEU A 115 5.580 -10.700 0.923 1.00 1.05 C ATOM 1806 O LEU A 115 4.592 -11.400 1.179 1.00 1.14 O ATOM 1807 CB LEU A 115 4.480 -8.581 0.157 1.00 1.25 C ATOM 1808 CG LEU A 115 4.148 -7.507 -0.898 1.00 1.33 C ATOM 1809 CD1 LEU A 115 2.993 -6.636 -0.383 1.00 1.82 C ATOM 1810 CD2 LEU A 115 5.353 -6.612 -1.211 1.00 1.54 C ATOM 0 H LEU A 115 4.275 -11.075 -1.224 1.00 0.98 H new ATOM 0 HA LEU A 115 6.462 -9.276 -0.463 1.00 1.08 H new ATOM 0 HB2 LEU A 115 3.547 -9.058 0.457 1.00 1.25 H new ATOM 0 HB3 LEU A 115 4.878 -8.077 1.038 1.00 1.25 H new ATOM 0 HG LEU A 115 3.867 -8.019 -1.818 1.00 1.33 H new ATOM 0 HD11 LEU A 115 2.753 -5.874 -1.125 1.00 1.82 H new ATOM 0 HD12 LEU A 115 2.117 -7.260 -0.208 1.00 1.82 H new ATOM 0 HD13 LEU A 115 3.288 -6.155 0.549 1.00 1.82 H new ATOM 0 HD21 LEU A 115 5.071 -5.871 -1.959 1.00 1.54 H new ATOM 0 HD22 LEU A 115 5.676 -6.105 -0.302 1.00 1.54 H new ATOM 0 HD23 LEU A 115 6.170 -7.223 -1.595 1.00 1.54 H new ATOM 1822 N PRO A 116 6.674 -10.719 1.708 1.00 1.01 N ATOM 1823 CA PRO A 116 6.788 -11.551 2.903 1.00 1.01 C ATOM 1824 C PRO A 116 5.918 -11.030 4.049 1.00 1.04 C ATOM 1825 O PRO A 116 5.547 -9.851 4.095 1.00 1.08 O ATOM 1826 CB PRO A 116 8.276 -11.543 3.269 1.00 1.03 C ATOM 1827 CG PRO A 116 8.762 -10.206 2.716 1.00 1.02 C ATOM 1828 CD PRO A 116 7.945 -10.073 1.436 1.00 0.99 C ATOM 0 HA PRO A 116 6.429 -12.563 2.716 1.00 1.01 H new ATOM 0 HB2 PRO A 116 8.426 -11.612 4.346 1.00 1.03 H new ATOM 0 HB3 PRO A 116 8.806 -12.382 2.819 1.00 1.03 H new ATOM 0 HG2 PRO A 116 8.572 -9.386 3.408 1.00 1.02 H new ATOM 0 HG3 PRO A 116 9.834 -10.213 2.517 1.00 1.02 H new ATOM 0 HD2 PRO A 116 7.802 -9.026 1.171 1.00 0.99 H new ATOM 0 HD3 PRO A 116 8.453 -10.548 0.597 1.00 0.99 H new ATOM 1836 N VAL A 117 5.613 -11.911 5.003 1.00 1.09 N ATOM 1837 CA VAL A 117 4.890 -11.578 6.220 1.00 1.08 C ATOM 1838 C VAL A 117 5.855 -11.369 7.392 1.00 1.19 C ATOM 1839 O VAL A 117 6.727 -12.194 7.673 1.00 1.33 O ATOM 1840 CB VAL A 117 3.837 -12.646 6.542 1.00 1.05 C ATOM 1841 CG1 VAL A 117 3.081 -12.254 7.807 1.00 1.07 C ATOM 1842 CG2 VAL A 117 2.804 -12.769 5.418 1.00 1.03 C ATOM 0 H VAL A 117 5.870 -12.896 4.945 1.00 1.09 H new ATOM 0 HA VAL A 117 4.365 -10.637 6.056 1.00 1.08 H new ATOM 0 HB VAL A 117 4.362 -13.593 6.666 1.00 1.05 H new ATOM 0 HG11 VAL A 117 2.333 -13.014 8.034 1.00 1.07 H new ATOM 0 HG12 VAL A 117 3.781 -12.173 8.639 1.00 1.07 H new ATOM 0 HG13 VAL A 117 2.588 -11.294 7.653 1.00 1.07 H new ATOM 0 HG21 VAL A 117 2.073 -13.534 5.678 1.00 1.03 H new ATOM 0 HG22 VAL A 117 2.297 -11.813 5.283 1.00 1.03 H new ATOM 0 HG23 VAL A 117 3.306 -13.047 4.491 1.00 1.03 H new ATOM 1852 N GLU A 118 5.632 -10.252 8.077 1.00 1.16 N ATOM 1853 CA GLU A 118 6.289 -9.746 9.286 1.00 1.34 C ATOM 1854 C GLU A 118 5.426 -10.025 10.537 1.00 1.99 C ATOM 1855 O GLU A 118 4.429 -10.739 10.446 1.00 2.92 O ATOM 1856 CB GLU A 118 6.513 -8.231 9.061 1.00 2.10 C ATOM 1857 CG GLU A 118 7.978 -7.899 8.759 1.00 2.11 C ATOM 1858 CD GLU A 118 8.842 -7.874 10.017 1.00 2.61 C ATOM 1859 OE1 GLU A 118 8.404 -8.404 11.059 1.00 4.01 O ATOM 1860 OE2 GLU A 118 9.920 -7.239 9.947 1.00 2.81 O ATOM 0 H GLU A 118 4.907 -9.605 7.767 1.00 1.16 H new ATOM 0 HA GLU A 118 7.241 -10.246 9.463 1.00 1.34 H new ATOM 0 HB2 GLU A 118 5.888 -7.892 8.235 1.00 2.10 H new ATOM 0 HB3 GLU A 118 6.194 -7.683 9.948 1.00 2.10 H new ATOM 0 HG2 GLU A 118 8.378 -8.635 8.062 1.00 2.11 H new ATOM 0 HG3 GLU A 118 8.033 -6.929 8.265 1.00 2.11 H new ATOM 1867 N ALA A 119 5.769 -9.459 11.700 1.00 1.90 N ATOM 1868 CA ALA A 119 4.896 -9.422 12.887 1.00 2.37 C ATOM 1869 C ALA A 119 5.136 -8.149 13.717 1.00 2.78 C ATOM 1870 O ALA A 119 5.754 -8.200 14.783 1.00 3.30 O ATOM 1871 CB ALA A 119 5.082 -10.712 13.701 1.00 2.78 C ATOM 0 H ALA A 119 6.671 -9.007 11.849 1.00 1.90 H new ATOM 0 HA ALA A 119 3.854 -9.377 12.571 1.00 2.37 H new ATOM 0 HB1 ALA A 119 4.436 -10.685 14.579 1.00 2.78 H new ATOM 0 HB2 ALA A 119 4.820 -11.572 13.085 1.00 2.78 H new ATOM 0 HB3 ALA A 119 6.122 -10.796 14.018 1.00 2.78 H new ATOM 1877 N ARG A 120 4.718 -6.992 13.187 1.00 2.77 N ATOM 1878 CA ARG A 120 5.454 -5.733 13.403 1.00 2.80 C ATOM 1879 C ARG A 120 4.632 -4.467 13.201 1.00 2.58 C ATOM 1880 O ARG A 120 4.021 -4.301 12.125 1.00 2.62 O ATOM 1881 CB ARG A 120 6.664 -5.798 12.463 1.00 3.07 C ATOM 1882 CG ARG A 120 7.634 -4.626 12.582 1.00 3.10 C ATOM 1883 CD ARG A 120 8.841 -4.971 11.706 1.00 3.10 C ATOM 1884 NE ARG A 120 9.848 -3.902 11.686 1.00 3.05 N ATOM 1885 CZ ARG A 120 10.993 -3.971 11.035 1.00 3.65 C ATOM 1886 NH1 ARG A 120 11.388 -5.021 10.378 1.00 4.24 N ATOM 1887 NH2 ARG A 120 11.792 -2.944 11.022 1.00 4.56 N ATOM 1888 OXT ARG A 120 4.616 -3.619 14.117 1.00 3.60 O ATOM 0 H ARG A 120 3.882 -6.898 12.610 1.00 2.77 H new ATOM 0 HA ARG A 120 5.747 -5.657 14.450 1.00 2.80 H new ATOM 0 HB2 ARG A 120 7.208 -6.722 12.658 1.00 3.07 H new ATOM 0 HB3 ARG A 120 6.305 -5.851 11.435 1.00 3.07 H new ATOM 0 HG2 ARG A 120 7.166 -3.699 12.250 1.00 3.10 H new ATOM 0 HG3 ARG A 120 7.937 -4.477 13.618 1.00 3.10 H new ATOM 0 HD2 ARG A 120 9.299 -5.890 12.071 1.00 3.10 H new ATOM 0 HD3 ARG A 120 8.503 -5.166 10.688 1.00 3.10 H new ATOM 0 HE ARG A 120 9.649 -3.050 12.210 1.00 3.05 H new ATOM 0 HH11 ARG A 120 10.800 -5.854 10.346 1.00 4.24 H new ATOM 0 HH12 ARG A 120 12.286 -5.012 9.894 1.00 4.24 H new ATOM 0 HH21 ARG A 120 11.532 -2.089 11.514 1.00 4.56 H new ATOM 0 HH22 ARG A 120 12.678 -2.994 10.520 1.00 4.56 H new