USER MOD reduce.3.24.130724 H: found=0, std=0, add=1126, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1124 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: B 17 HIS : no HD1:sc= -0.116 X(o=-0.74,f=-0.87) USER MOD Set 1.2: B 21 GLN : amide:sc= -0.62 X(o=-0.74,f=-0.5) USER MOD Set 2.1: A 17 HIS : no HD1:sc= -0.73 K(o=-0.71,f=-1.5) USER MOD Set 2.2: A 21 GLN : amide:sc= 0.0198 X(o=-0.71,f=-0.94) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= -1.3 X(o=-1.3,f=-1.5) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.24 USER MOD Single : A 7 SER OG : rot 0:sc= -0.722 USER MOD Single : A 8 SER OG : rot 76:sc= 0.913 USER MOD Single : A 10 GLN : amide:sc= -0.802 K(o=-0.8,f=-1.8!) USER MOD Single : A 13 CYS SG : rot 76:sc= -0.152 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -0.134 K(o=-0.13,f=-0.86) USER MOD Single : A 40 GLN :FLIP amide:sc= -4.5! C(o=-6.2!,f=-4.5!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 95:sc= 1.24 USER MOD Single : A 53 ASN :FLIP amide:sc= 0.197 F(o=-8.4!,f=0.2) USER MOD Single : A 58 THR OG1 : rot 79:sc= 0.671 USER MOD Single : A 59 HIS :FLIP no HE2:sc=-0.00604 F(o=-0.55,f=-0.006) USER MOD Single : A 62 LYS NZ :NH3+ -138:sc= -2.15 (180deg=-4.7!) USER MOD Single : A 63 GLN :FLIP amide:sc= -0.443 F(o=-2.5!,f=-0.44) USER MOD Single : A 67 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0118) USER MOD Single : A 70 LYS NZ :NH3+ -124:sc= 0 (180deg=-0.00371) USER MOD Single : B 3 SER OG : rot 180:sc= 0 USER MOD Single : B 4 ASN : amide:sc= -1.33 X(o=-1.3,f=-1.6) USER MOD Single : B 5 THR OG1 : rot 180:sc= -0.283 USER MOD Single : B 7 SER OG : rot 6:sc= -0.844 USER MOD Single : B 8 SER OG : rot 93:sc= 0.693 USER MOD Single : B 10 GLN : amide:sc= -0.835 K(o=-0.84,f=-1.9!) USER MOD Single : B 13 CYS SG : rot 180:sc= 0 USER MOD Single : B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 25 GLN : amide:sc= -0.926 X(o=-0.93,f=-1) USER MOD Single : B 40 GLN :FLIP amide:sc= -3.91! C(o=-5.3!,f=-3.9!) USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 42 SER OG : rot 180:sc= 0 USER MOD Single : B 48 SER OG : rot 180:sc= 0 USER MOD Single : B 49 THR OG1 : rot 98:sc= 1.22 USER MOD Single : B 53 ASN :FLIP amide:sc= 0.213 F(o=-6.6!,f=0.21) USER MOD Single : B 58 THR OG1 : rot 78:sc= 0.499 USER MOD Single : B 59 HIS : no HD1:sc= -0.202 X(o=-0.2,f=0.0047) USER MOD Single : B 62 LYS NZ :NH3+ -130:sc= -2.05 (180deg=-4.97!) USER MOD Single : B 63 GLN :FLIP amide:sc= -0.462 F(o=-2.5!,f=-0.46) USER MOD Single : B 67 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.017) USER MOD Single : B 70 LYS NZ :NH3+ -121:sc= 0 (180deg=-0.00659) USER MOD ----------------------------------------------------------------- ATOM 30 N SER A 3 -7.155 6.649 17.854 1.00 0.00 N ATOM 31 CA SER A 3 -6.277 7.405 16.977 1.00 0.00 C ATOM 32 C SER A 3 -5.609 6.451 15.985 1.00 0.00 C ATOM 33 O SER A 3 -5.397 6.853 14.831 1.00 0.00 O ATOM 34 CB SER A 3 -5.219 8.174 17.770 1.00 0.00 C ATOM 35 OG SER A 3 -4.389 8.966 16.925 1.00 0.00 O ATOM 0 HA SER A 3 -6.876 8.138 16.436 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.710 8.816 18.501 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.602 7.470 18.328 1.00 0.00 H new ATOM 0 HG SER A 3 -3.728 9.442 17.469 1.00 0.00 H new ATOM 41 N ASN A 4 -5.295 5.227 16.445 1.00 0.00 N ATOM 42 CA ASN A 4 -4.657 4.228 15.605 1.00 0.00 C ATOM 43 C ASN A 4 -5.448 4.083 14.303 1.00 0.00 C ATOM 44 O ASN A 4 -4.827 3.828 13.261 1.00 0.00 O ATOM 45 CB ASN A 4 -4.629 2.863 16.295 1.00 0.00 C ATOM 46 CG ASN A 4 -3.453 2.766 17.270 1.00 0.00 C ATOM 47 OD1 ASN A 4 -3.053 3.732 17.898 1.00 0.00 O ATOM 48 ND2 ASN A 4 -2.925 1.549 17.360 1.00 0.00 N ATOM 0 H ASN A 4 -5.478 4.916 17.399 1.00 0.00 H new ATOM 0 HA ASN A 4 -3.635 4.554 15.411 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -5.565 2.703 16.831 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -4.552 2.074 15.546 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -2.136 1.380 17.984 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -3.309 0.784 16.805 1.00 0.00 H new ATOM 55 N THR A 5 -6.780 4.246 14.387 1.00 0.00 N ATOM 56 CA THR A 5 -7.645 4.134 13.224 1.00 0.00 C ATOM 57 C THR A 5 -7.334 5.274 12.252 1.00 0.00 C ATOM 58 O THR A 5 -7.341 5.030 11.036 1.00 0.00 O ATOM 59 CB THR A 5 -9.100 4.118 13.696 1.00 0.00 C ATOM 60 OG1 THR A 5 -9.213 2.901 14.430 1.00 0.00 O ATOM 61 CG2 THR A 5 -10.089 3.949 12.541 1.00 0.00 C ATOM 0 H THR A 5 -7.272 4.456 15.256 1.00 0.00 H new ATOM 0 HA THR A 5 -7.470 3.205 12.682 1.00 0.00 H new ATOM 0 HB THR A 5 -9.319 5.044 14.229 1.00 0.00 H new ATOM 0 HG1 THR A 5 -10.126 2.810 14.775 1.00 0.00 H new ATOM 0 HG21 THR A 5 -11.107 3.944 12.931 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.973 4.775 11.839 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.892 3.007 12.029 1.00 0.00 H new ATOM 69 N VAL A 6 -7.073 6.476 12.796 1.00 0.00 N ATOM 70 CA VAL A 6 -6.763 7.639 11.983 1.00 0.00 C ATOM 71 C VAL A 6 -5.423 7.421 11.278 1.00 0.00 C ATOM 72 O VAL A 6 -5.338 7.698 10.072 1.00 0.00 O ATOM 73 CB VAL A 6 -6.787 8.902 12.846 1.00 0.00 C ATOM 74 CG1 VAL A 6 -6.474 10.144 12.008 1.00 0.00 C ATOM 75 CG2 VAL A 6 -8.129 9.050 13.565 1.00 0.00 C ATOM 0 H VAL A 6 -7.074 6.656 13.800 1.00 0.00 H new ATOM 0 HA VAL A 6 -7.518 7.776 11.209 1.00 0.00 H new ATOM 0 HB VAL A 6 -6.010 8.804 13.604 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -6.497 11.028 12.645 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.484 10.043 11.564 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -7.218 10.247 11.218 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -8.119 9.956 14.171 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -8.931 9.115 12.829 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -8.295 8.185 14.207 1.00 0.00 H new ATOM 85 N SER A 7 -4.418 6.938 12.030 1.00 0.00 N ATOM 86 CA SER A 7 -3.097 6.686 11.481 1.00 0.00 C ATOM 87 C SER A 7 -3.200 5.632 10.378 1.00 0.00 C ATOM 88 O SER A 7 -2.677 5.874 9.280 1.00 0.00 O ATOM 89 CB SER A 7 -2.118 6.227 12.564 1.00 0.00 C ATOM 90 OG SER A 7 -2.679 5.215 13.396 1.00 0.00 O ATOM 0 H SER A 7 -4.508 6.717 13.022 1.00 0.00 H new ATOM 0 HA SER A 7 -2.712 7.617 11.065 1.00 0.00 H new ATOM 0 HB2 SER A 7 -1.210 5.849 12.095 1.00 0.00 H new ATOM 0 HB3 SER A 7 -1.828 7.081 13.177 1.00 0.00 H new ATOM 0 HG SER A 7 -3.591 5.015 13.098 1.00 0.00 H new ATOM 96 N SER A 8 -3.861 4.501 10.685 1.00 0.00 N ATOM 97 CA SER A 8 -4.029 3.423 9.725 1.00 0.00 C ATOM 98 C SER A 8 -4.688 3.971 8.458 1.00 0.00 C ATOM 99 O SER A 8 -4.333 3.513 7.363 1.00 0.00 O ATOM 100 CB SER A 8 -4.865 2.281 10.307 1.00 0.00 C ATOM 101 OG SER A 8 -4.374 1.852 11.574 1.00 0.00 O ATOM 0 H SER A 8 -4.284 4.321 11.595 1.00 0.00 H new ATOM 0 HA SER A 8 -3.046 3.019 9.482 1.00 0.00 H new ATOM 0 HB2 SER A 8 -5.900 2.606 10.410 1.00 0.00 H new ATOM 0 HB3 SER A 8 -4.863 1.440 9.614 1.00 0.00 H new ATOM 0 HG SER A 8 -4.633 2.501 12.262 1.00 0.00 H new ATOM 107 N PHE A 9 -5.621 4.926 8.629 1.00 0.00 N ATOM 108 CA PHE A 9 -6.320 5.528 7.508 1.00 0.00 C ATOM 109 C PHE A 9 -5.330 6.341 6.671 1.00 0.00 C ATOM 110 O PHE A 9 -5.282 6.135 5.450 1.00 0.00 O ATOM 111 CB PHE A 9 -7.453 6.427 8.040 1.00 0.00 C ATOM 112 CG PHE A 9 -8.469 6.858 6.990 1.00 0.00 C ATOM 113 CD1 PHE A 9 -8.977 5.921 6.061 1.00 0.00 C ATOM 114 CD2 PHE A 9 -8.904 8.202 6.934 1.00 0.00 C ATOM 115 CE1 PHE A 9 -9.915 6.325 5.086 1.00 0.00 C ATOM 116 CE2 PHE A 9 -9.841 8.605 5.960 1.00 0.00 C ATOM 117 CZ PHE A 9 -10.347 7.667 5.036 1.00 0.00 C ATOM 0 H PHE A 9 -5.900 5.289 9.540 1.00 0.00 H new ATOM 0 HA PHE A 9 -6.755 4.753 6.877 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -7.976 5.897 8.836 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -7.012 7.318 8.487 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -8.647 4.893 6.097 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -8.517 8.923 7.640 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -10.302 5.607 4.378 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -10.171 9.633 5.922 1.00 0.00 H new ATOM 0 HZ PHE A 9 -11.065 7.976 4.291 1.00 0.00 H new ATOM 127 N GLN A 10 -4.572 7.233 7.334 1.00 0.00 N ATOM 128 CA GLN A 10 -3.594 8.066 6.656 1.00 0.00 C ATOM 129 C GLN A 10 -2.676 7.182 5.809 1.00 0.00 C ATOM 130 O GLN A 10 -2.345 7.583 4.683 1.00 0.00 O ATOM 131 CB GLN A 10 -2.785 8.904 7.648 1.00 0.00 C ATOM 132 CG GLN A 10 -3.284 10.350 7.679 1.00 0.00 C ATOM 133 CD GLN A 10 -3.343 10.879 9.113 1.00 0.00 C ATOM 134 OE1 GLN A 10 -2.424 10.720 9.900 1.00 0.00 O ATOM 135 NE2 GLN A 10 -4.473 11.515 9.409 1.00 0.00 N ATOM 0 H GLN A 10 -4.627 7.387 8.341 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.121 8.764 6.006 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -2.860 8.468 8.644 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -1.731 8.885 7.371 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.624 10.979 7.082 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -4.274 10.407 7.226 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -5.203 11.613 8.703 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -4.610 11.905 10.342 1.00 0.00 H new ATOM 144 N VAL A 11 -2.290 6.016 6.357 1.00 0.00 N ATOM 145 CA VAL A 11 -1.419 5.087 5.657 1.00 0.00 C ATOM 146 C VAL A 11 -2.129 4.578 4.401 1.00 0.00 C ATOM 147 O VAL A 11 -1.554 4.700 3.309 1.00 0.00 O ATOM 148 CB VAL A 11 -0.991 3.960 6.600 1.00 0.00 C ATOM 149 CG1 VAL A 11 -0.518 2.737 5.812 1.00 0.00 C ATOM 150 CG2 VAL A 11 0.091 4.439 7.570 1.00 0.00 C ATOM 0 H VAL A 11 -2.575 5.704 7.286 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.506 5.588 5.334 1.00 0.00 H new ATOM 0 HB VAL A 11 -1.861 3.665 7.187 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.219 1.951 6.505 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.329 2.375 5.180 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.332 3.013 5.188 1.00 0.00 H new ATOM 0 HG21 VAL A 11 0.378 3.619 8.229 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.962 4.773 7.007 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.295 5.266 8.166 1.00 0.00 H new ATOM 160 N ASP A 12 -3.343 4.028 4.576 1.00 0.00 N ATOM 161 CA ASP A 12 -4.120 3.507 3.465 1.00 0.00 C ATOM 162 C ASP A 12 -4.273 4.595 2.400 1.00 0.00 C ATOM 163 O ASP A 12 -4.259 4.260 1.207 1.00 0.00 O ATOM 164 CB ASP A 12 -5.521 3.090 3.919 1.00 0.00 C ATOM 165 CG ASP A 12 -5.649 1.632 4.365 1.00 0.00 C ATOM 166 OD1 ASP A 12 -4.680 0.860 4.310 1.00 0.00 O ATOM 167 OD2 ASP A 12 -6.819 1.292 4.788 1.00 0.00 O ATOM 0 H ASP A 12 -3.799 3.938 5.484 1.00 0.00 H new ATOM 0 HA ASP A 12 -3.596 2.638 3.067 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -5.826 3.735 4.743 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.219 3.267 3.101 1.00 0.00 H new ATOM 172 N CYS A 13 -4.413 5.857 2.845 1.00 0.00 N ATOM 173 CA CYS A 13 -4.567 6.981 1.937 1.00 0.00 C ATOM 174 C CYS A 13 -3.317 7.099 1.063 1.00 0.00 C ATOM 175 O CYS A 13 -3.451 7.045 -0.168 1.00 0.00 O ATOM 176 CB CYS A 13 -4.851 8.274 2.704 1.00 0.00 C ATOM 177 SG CYS A 13 -6.575 8.478 3.242 1.00 0.00 S ATOM 0 H CYS A 13 -4.421 6.112 3.833 1.00 0.00 H new ATOM 0 HA CYS A 13 -5.427 6.808 1.290 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -4.205 8.309 3.581 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -4.579 9.121 2.074 1.00 0.00 H new ATOM 0 HG CYS A 13 -6.805 7.706 4.263 1.00 0.00 H new ATOM 183 N PHE A 14 -2.145 7.255 1.705 1.00 0.00 N ATOM 184 CA PHE A 14 -0.886 7.379 0.990 1.00 0.00 C ATOM 185 C PHE A 14 -0.708 6.173 0.066 1.00 0.00 C ATOM 186 O PHE A 14 -0.275 6.366 -1.079 1.00 0.00 O ATOM 187 CB PHE A 14 0.269 7.464 2.008 1.00 0.00 C ATOM 188 CG PHE A 14 1.649 7.640 1.388 1.00 0.00 C ATOM 189 CD1 PHE A 14 2.025 8.888 0.839 1.00 0.00 C ATOM 190 CD2 PHE A 14 2.564 6.562 1.364 1.00 0.00 C ATOM 191 CE1 PHE A 14 3.304 9.055 0.268 1.00 0.00 C ATOM 192 CE2 PHE A 14 3.844 6.731 0.794 1.00 0.00 C ATOM 193 CZ PHE A 14 4.214 7.976 0.245 1.00 0.00 C ATOM 0 H PHE A 14 -2.056 7.297 2.720 1.00 0.00 H new ATOM 0 HA PHE A 14 -0.885 8.285 0.384 1.00 0.00 H new ATOM 0 HB2 PHE A 14 0.080 8.298 2.684 1.00 0.00 H new ATOM 0 HB3 PHE A 14 0.270 6.557 2.613 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.331 9.715 0.857 1.00 0.00 H new ATOM 0 HD2 PHE A 14 2.283 5.607 1.783 1.00 0.00 H new ATOM 0 HE1 PHE A 14 3.587 10.009 -0.152 1.00 0.00 H new ATOM 0 HE2 PHE A 14 4.541 5.906 0.778 1.00 0.00 H new ATOM 0 HZ PHE A 14 5.193 8.104 -0.193 1.00 0.00 H new ATOM 203 N LEU A 15 -1.041 4.972 0.573 1.00 0.00 N ATOM 204 CA LEU A 15 -0.919 3.749 -0.202 1.00 0.00 C ATOM 205 C LEU A 15 -1.772 3.864 -1.466 1.00 0.00 C ATOM 206 O LEU A 15 -1.249 3.593 -2.557 1.00 0.00 O ATOM 207 CB LEU A 15 -1.258 2.532 0.661 1.00 0.00 C ATOM 208 CG LEU A 15 -0.258 2.194 1.768 1.00 0.00 C ATOM 209 CD1 LEU A 15 -0.307 0.705 2.115 1.00 0.00 C ATOM 210 CD2 LEU A 15 1.153 2.648 1.389 1.00 0.00 C ATOM 0 H LEU A 15 -1.396 4.835 1.519 1.00 0.00 H new ATOM 0 HA LEU A 15 0.112 3.604 -0.525 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.234 2.696 1.118 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.354 1.664 0.008 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.543 2.743 2.665 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.414 0.492 2.905 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.308 0.444 2.457 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.061 0.117 1.231 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.845 2.396 2.193 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.463 2.146 0.473 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.158 3.726 1.231 1.00 0.00 H new ATOM 222 N TRP A 16 -3.047 4.257 -1.298 1.00 0.00 N ATOM 223 CA TRP A 16 -3.961 4.405 -2.418 1.00 0.00 C ATOM 224 C TRP A 16 -3.327 5.316 -3.471 1.00 0.00 C ATOM 225 O TRP A 16 -3.475 5.026 -4.668 1.00 0.00 O ATOM 226 CB TRP A 16 -5.320 4.911 -1.930 1.00 0.00 C ATOM 227 CG TRP A 16 -6.388 4.978 -3.023 1.00 0.00 C ATOM 228 CD1 TRP A 16 -7.357 4.090 -3.286 1.00 0.00 C ATOM 229 CD2 TRP A 16 -6.558 6.030 -3.997 1.00 0.00 C ATOM 230 NE1 TRP A 16 -8.135 4.492 -4.353 1.00 0.00 N ATOM 231 CE2 TRP A 16 -7.634 5.709 -4.799 1.00 0.00 C ATOM 232 CE3 TRP A 16 -5.826 7.215 -4.193 1.00 0.00 C ATOM 233 CZ2 TRP A 16 -8.075 6.520 -5.851 1.00 0.00 C ATOM 234 CZ3 TRP A 16 -6.279 8.014 -5.249 1.00 0.00 C ATOM 235 CH2 TRP A 16 -7.360 7.705 -6.065 1.00 0.00 C ATOM 0 H TRP A 16 -3.458 4.476 -0.390 1.00 0.00 H new ATOM 0 HA TRP A 16 -4.143 3.439 -2.889 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -5.673 4.259 -1.131 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -5.193 5.904 -1.499 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -7.510 3.175 -2.733 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -8.932 3.988 -4.743 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -4.981 7.487 -3.577 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -8.921 6.247 -6.464 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -5.751 8.936 -5.443 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -7.648 8.376 -6.861 1.00 0.00 H new ATOM 246 N HIS A 17 -2.645 6.381 -3.014 1.00 0.00 N ATOM 247 CA HIS A 17 -1.996 7.323 -3.910 1.00 0.00 C ATOM 248 C HIS A 17 -0.933 6.589 -4.731 1.00 0.00 C ATOM 249 O HIS A 17 -1.054 6.566 -5.965 1.00 0.00 O ATOM 250 CB HIS A 17 -1.429 8.514 -3.136 1.00 0.00 C ATOM 251 CG HIS A 17 -0.926 9.634 -4.015 1.00 0.00 C ATOM 252 ND1 HIS A 17 0.035 10.540 -3.599 1.00 0.00 N ATOM 253 CD2 HIS A 17 -1.259 9.985 -5.290 1.00 0.00 C ATOM 254 CE1 HIS A 17 0.261 11.393 -4.587 1.00 0.00 C ATOM 255 NE2 HIS A 17 -0.542 11.048 -5.634 1.00 0.00 N ATOM 0 H HIS A 17 -2.535 6.601 -2.024 1.00 0.00 H new ATOM 0 HA HIS A 17 -2.728 7.736 -4.604 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -2.201 8.905 -2.474 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -0.612 8.167 -2.503 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -1.983 9.483 -5.914 1.00 0.00 H new ATOM 0 HE1 HIS A 17 0.959 12.217 -4.567 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -0.585 11.528 -6.533 1.00 0.00 H new ATOM 263 N VAL A 18 0.069 6.015 -4.043 1.00 0.00 N ATOM 264 CA VAL A 18 1.141 5.289 -4.704 1.00 0.00 C ATOM 265 C VAL A 18 0.539 4.286 -5.690 1.00 0.00 C ATOM 266 O VAL A 18 1.060 4.173 -6.808 1.00 0.00 O ATOM 267 CB VAL A 18 2.048 4.633 -3.662 1.00 0.00 C ATOM 268 CG1 VAL A 18 3.101 3.748 -4.332 1.00 0.00 C ATOM 269 CG2 VAL A 18 2.705 5.685 -2.766 1.00 0.00 C ATOM 0 H VAL A 18 0.149 6.046 -3.027 1.00 0.00 H new ATOM 0 HA VAL A 18 1.768 5.971 -5.277 1.00 0.00 H new ATOM 0 HB VAL A 18 1.428 3.997 -3.031 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.733 3.293 -3.569 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.606 2.965 -4.907 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.715 4.354 -4.998 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.344 5.191 -2.034 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.306 6.359 -3.377 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.934 6.255 -2.248 1.00 0.00 H new ATOM 279 N ARG A 19 -0.530 3.590 -5.263 1.00 0.00 N ATOM 280 CA ARG A 19 -1.194 2.607 -6.102 1.00 0.00 C ATOM 281 C ARG A 19 -1.672 3.281 -7.389 1.00 0.00 C ATOM 282 O ARG A 19 -1.332 2.788 -8.475 1.00 0.00 O ATOM 283 CB ARG A 19 -2.392 1.975 -5.390 1.00 0.00 C ATOM 284 CG ARG A 19 -1.933 1.003 -4.301 1.00 0.00 C ATOM 285 CD ARG A 19 -3.131 0.360 -3.600 1.00 0.00 C ATOM 286 NE ARG A 19 -2.980 0.475 -2.132 1.00 0.00 N ATOM 287 CZ ARG A 19 -3.482 -0.413 -1.248 1.00 0.00 C ATOM 288 NH1 ARG A 19 -4.163 -1.472 -1.706 1.00 0.00 N ATOM 289 NH2 ARG A 19 -3.302 -0.237 0.068 1.00 0.00 N ATOM 0 H ARG A 19 -0.945 3.699 -4.337 1.00 0.00 H new ATOM 0 HA ARG A 19 -0.478 1.817 -6.328 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -3.010 2.756 -4.948 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.013 1.448 -6.114 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -1.306 0.228 -4.741 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.321 1.532 -3.571 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -4.053 0.846 -3.918 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -3.209 -0.689 -3.885 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.464 1.275 -1.766 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.296 -1.598 -2.709 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -4.549 -2.152 -1.051 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -2.783 0.572 0.408 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -3.684 -0.912 0.730 1.00 0.00 H new ATOM 303 N LYS A 20 -2.438 4.377 -7.246 1.00 0.00 N ATOM 304 CA LYS A 20 -2.956 5.109 -8.389 1.00 0.00 C ATOM 305 C LYS A 20 -1.807 5.430 -9.347 1.00 0.00 C ATOM 306 O LYS A 20 -2.041 5.444 -10.565 1.00 0.00 O ATOM 307 CB LYS A 20 -3.735 6.343 -7.928 1.00 0.00 C ATOM 308 CG LYS A 20 -4.284 7.123 -9.123 1.00 0.00 C ATOM 309 CD LYS A 20 -5.636 6.564 -9.570 1.00 0.00 C ATOM 310 CE LYS A 20 -5.822 6.720 -11.081 1.00 0.00 C ATOM 311 NZ LYS A 20 -6.526 7.976 -11.386 1.00 0.00 N ATOM 0 H LYS A 20 -2.706 4.767 -6.343 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.670 4.498 -8.940 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.557 6.038 -7.280 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.085 6.988 -7.336 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.392 8.174 -8.857 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.575 7.074 -9.950 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.706 5.511 -9.298 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.439 7.082 -9.046 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.851 6.711 -11.576 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.387 5.875 -11.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -6.644 8.067 -12.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.460 7.970 -10.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.972 8.780 -11.029 1.00 0.00 H new ATOM 325 N GLN A 21 -0.609 5.678 -8.789 1.00 0.00 N ATOM 326 CA GLN A 21 0.562 5.995 -9.588 1.00 0.00 C ATOM 327 C GLN A 21 1.004 4.748 -10.355 1.00 0.00 C ATOM 328 O GLN A 21 1.425 4.886 -11.513 1.00 0.00 O ATOM 329 CB GLN A 21 1.701 6.540 -8.723 1.00 0.00 C ATOM 330 CG GLN A 21 1.726 8.070 -8.750 1.00 0.00 C ATOM 331 CD GLN A 21 1.889 8.640 -7.339 1.00 0.00 C ATOM 332 OE1 GLN A 21 2.750 9.461 -7.069 1.00 0.00 O ATOM 333 NE2 GLN A 21 1.016 8.160 -6.458 1.00 0.00 N ATOM 0 H GLN A 21 -0.438 5.662 -7.784 1.00 0.00 H new ATOM 0 HA GLN A 21 0.299 6.779 -10.298 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.581 6.193 -7.697 1.00 0.00 H new ATOM 0 HB3 GLN A 21 2.654 6.151 -9.082 1.00 0.00 H new ATOM 0 HG2 GLN A 21 2.545 8.413 -9.382 1.00 0.00 H new ATOM 0 HG3 GLN A 21 0.803 8.445 -9.193 1.00 0.00 H new ATOM 0 HE21 GLN A 21 0.320 7.474 -6.751 1.00 0.00 H new ATOM 0 HE22 GLN A 21 1.042 8.478 -5.489 1.00 0.00 H new ATOM 342 N VAL A 22 0.903 3.574 -9.705 1.00 0.00 N ATOM 343 CA VAL A 22 1.290 2.317 -10.322 1.00 0.00 C ATOM 344 C VAL A 22 0.374 2.036 -11.516 1.00 0.00 C ATOM 345 O VAL A 22 0.874 1.551 -12.541 1.00 0.00 O ATOM 346 CB VAL A 22 1.274 1.196 -9.281 1.00 0.00 C ATOM 347 CG1 VAL A 22 1.469 -0.170 -9.942 1.00 0.00 C ATOM 348 CG2 VAL A 22 2.329 1.438 -8.199 1.00 0.00 C ATOM 0 H VAL A 22 0.554 3.482 -8.751 1.00 0.00 H new ATOM 0 HA VAL A 22 2.310 2.376 -10.701 1.00 0.00 H new ATOM 0 HB VAL A 22 0.295 1.198 -8.801 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.454 -0.949 -9.179 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.665 -0.346 -10.657 1.00 0.00 H new ATOM 0 HG13 VAL A 22 2.427 -0.190 -10.461 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.297 0.627 -7.471 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.318 1.476 -8.657 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.125 2.384 -7.697 1.00 0.00 H new ATOM 358 N VAL A 23 -0.927 2.342 -11.362 1.00 0.00 N ATOM 359 CA VAL A 23 -1.899 2.125 -12.419 1.00 0.00 C ATOM 360 C VAL A 23 -1.657 3.133 -13.545 1.00 0.00 C ATOM 361 O VAL A 23 -1.774 2.747 -14.717 1.00 0.00 O ATOM 362 CB VAL A 23 -3.317 2.196 -11.849 1.00 0.00 C ATOM 363 CG1 VAL A 23 -4.360 2.161 -12.967 1.00 0.00 C ATOM 364 CG2 VAL A 23 -3.558 1.072 -10.839 1.00 0.00 C ATOM 0 H VAL A 23 -1.318 2.741 -10.509 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.783 1.128 -12.844 1.00 0.00 H new ATOM 0 HB VAL A 23 -3.420 3.146 -11.325 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.359 2.213 -12.534 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.208 3.011 -13.633 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.257 1.235 -13.532 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -4.573 1.145 -10.449 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.426 0.108 -11.330 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.846 1.162 -10.018 1.00 0.00 H new ATOM 374 N ASP A 24 -1.328 4.383 -13.173 1.00 0.00 N ATOM 375 CA ASP A 24 -1.072 5.433 -14.144 1.00 0.00 C ATOM 376 C ASP A 24 0.183 5.084 -14.947 1.00 0.00 C ATOM 377 O ASP A 24 0.371 5.662 -16.027 1.00 0.00 O ATOM 378 CB ASP A 24 -0.833 6.776 -13.452 1.00 0.00 C ATOM 379 CG ASP A 24 -2.099 7.570 -13.125 1.00 0.00 C ATOM 380 OD1 ASP A 24 -2.552 8.297 -14.089 1.00 0.00 O ATOM 381 OD2 ASP A 24 -2.627 7.497 -12.005 1.00 0.00 O ATOM 0 H ASP A 24 -1.236 4.680 -12.201 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.944 5.512 -14.793 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.285 6.598 -12.527 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -0.194 7.387 -14.089 1.00 0.00 H new ATOM 386 N GLN A 25 1.002 4.161 -14.413 1.00 0.00 N ATOM 387 CA GLN A 25 2.226 3.742 -15.075 1.00 0.00 C ATOM 388 C GLN A 25 1.899 2.650 -16.096 1.00 0.00 C ATOM 389 O GLN A 25 2.834 2.135 -16.727 1.00 0.00 O ATOM 390 CB GLN A 25 3.272 3.257 -14.069 1.00 0.00 C ATOM 391 CG GLN A 25 4.015 4.437 -13.440 1.00 0.00 C ATOM 392 CD GLN A 25 5.530 4.254 -13.554 1.00 0.00 C ATOM 393 OE1 GLN A 25 6.052 3.152 -13.526 1.00 0.00 O ATOM 394 NE2 GLN A 25 6.204 5.393 -13.683 1.00 0.00 N ATOM 0 H GLN A 25 0.828 3.696 -13.522 1.00 0.00 H new ATOM 0 HA GLN A 25 2.657 4.600 -15.591 1.00 0.00 H new ATOM 0 HB2 GLN A 25 2.787 2.670 -13.289 1.00 0.00 H new ATOM 0 HB3 GLN A 25 3.983 2.598 -14.567 1.00 0.00 H new ATOM 0 HG2 GLN A 25 3.719 5.363 -13.933 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.734 4.531 -12.391 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.704 6.282 -13.699 1.00 0.00 H new ATOM 0 HE22 GLN A 25 7.221 5.378 -13.766 1.00 0.00 H new ATOM 403 N GLU A 26 0.602 2.323 -16.235 1.00 0.00 N ATOM 404 CA GLU A 26 0.161 1.302 -17.170 1.00 0.00 C ATOM 405 C GLU A 26 0.773 -0.043 -16.776 1.00 0.00 C ATOM 406 O GLU A 26 1.369 -0.697 -17.645 1.00 0.00 O ATOM 407 CB GLU A 26 0.520 1.668 -18.611 1.00 0.00 C ATOM 408 CG GLU A 26 0.052 3.084 -18.951 1.00 0.00 C ATOM 409 CD GLU A 26 -0.378 3.183 -20.416 1.00 0.00 C ATOM 410 OE1 GLU A 26 0.361 2.529 -21.247 1.00 0.00 O ATOM 411 OE2 GLU A 26 -1.372 3.856 -20.726 1.00 0.00 O ATOM 0 H GLU A 26 -0.152 2.759 -15.705 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.926 1.230 -17.123 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.599 1.595 -18.750 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.061 0.955 -19.296 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.781 3.361 -18.304 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.856 3.793 -18.756 1.00 0.00 H new ATOM 418 N LEU A 27 0.618 -0.424 -15.495 1.00 0.00 N ATOM 419 CA LEU A 27 1.152 -1.679 -14.995 1.00 0.00 C ATOM 420 C LEU A 27 0.076 -2.396 -14.177 1.00 0.00 C ATOM 421 O LEU A 27 0.434 -3.232 -13.334 1.00 0.00 O ATOM 422 CB LEU A 27 2.452 -1.439 -14.224 1.00 0.00 C ATOM 423 CG LEU A 27 3.578 -0.758 -15.004 1.00 0.00 C ATOM 424 CD1 LEU A 27 4.453 0.088 -14.077 1.00 0.00 C ATOM 425 CD2 LEU A 27 4.399 -1.784 -15.789 1.00 0.00 C ATOM 0 H LEU A 27 0.124 0.129 -14.795 1.00 0.00 H new ATOM 0 HA LEU A 27 1.416 -2.337 -15.823 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.225 -0.832 -13.348 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.818 -2.399 -13.860 1.00 0.00 H new ATOM 0 HG LEU A 27 3.130 -0.080 -15.730 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.246 0.561 -14.657 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.843 0.856 -13.602 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.895 -0.550 -13.311 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.193 -1.274 -16.335 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.838 -2.504 -15.098 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.752 -2.306 -16.494 1.00 0.00 H new ATOM 437 N GLY A 28 -1.201 -2.063 -14.438 1.00 0.00 N ATOM 438 CA GLY A 28 -2.315 -2.671 -13.732 1.00 0.00 C ATOM 439 C GLY A 28 -2.690 -3.987 -14.416 1.00 0.00 C ATOM 440 O GLY A 28 -2.812 -3.996 -15.649 1.00 0.00 O ATOM 0 H GLY A 28 -1.475 -1.373 -15.137 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -2.045 -2.853 -12.692 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -3.170 -1.994 -13.726 1.00 0.00 H new ATOM 444 N ASP A 29 -2.862 -5.054 -13.615 1.00 0.00 N ATOM 445 CA ASP A 29 -3.219 -6.361 -14.140 1.00 0.00 C ATOM 446 C ASP A 29 -4.738 -6.443 -14.302 1.00 0.00 C ATOM 447 O ASP A 29 -5.202 -6.604 -15.440 1.00 0.00 O ATOM 448 CB ASP A 29 -2.784 -7.475 -13.186 1.00 0.00 C ATOM 449 CG ASP A 29 -2.435 -7.014 -11.769 1.00 0.00 C ATOM 450 OD1 ASP A 29 -3.040 -6.072 -11.237 1.00 0.00 O ATOM 451 OD2 ASP A 29 -1.483 -7.674 -11.200 1.00 0.00 O ATOM 0 H ASP A 29 -2.757 -5.025 -12.601 1.00 0.00 H new ATOM 0 HA ASP A 29 -2.715 -6.489 -15.098 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -3.584 -8.213 -13.125 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -1.916 -7.979 -13.612 1.00 0.00 H new ATOM 456 N ALA A 30 -5.470 -6.334 -13.179 1.00 0.00 N ATOM 457 CA ALA A 30 -6.922 -6.395 -13.197 1.00 0.00 C ATOM 458 C ALA A 30 -7.445 -6.417 -11.759 1.00 0.00 C ATOM 459 O ALA A 30 -8.411 -5.695 -11.473 1.00 0.00 O ATOM 460 CB ALA A 30 -7.373 -7.709 -13.838 1.00 0.00 C ATOM 0 H ALA A 30 -5.068 -6.203 -12.251 1.00 0.00 H new ATOM 0 HA ALA A 30 -7.298 -5.534 -13.749 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -8.462 -7.753 -13.850 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -6.996 -7.764 -14.859 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -6.983 -8.548 -13.262 1.00 0.00 H new ATOM 466 N PRO A 31 -6.807 -7.230 -10.899 1.00 0.00 N ATOM 467 CA PRO A 31 -7.178 -7.368 -9.501 1.00 0.00 C ATOM 468 C PRO A 31 -6.727 -6.150 -8.692 1.00 0.00 C ATOM 469 O PRO A 31 -7.478 -5.721 -7.804 1.00 0.00 O ATOM 470 CB PRO A 31 -6.520 -8.660 -9.045 1.00 0.00 C ATOM 471 CG PRO A 31 -5.431 -8.956 -10.063 1.00 0.00 C ATOM 472 CD PRO A 31 -5.671 -8.067 -11.273 1.00 0.00 C ATOM 0 HA PRO A 31 -8.257 -7.413 -9.354 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -6.101 -8.553 -8.045 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -7.245 -9.473 -9.001 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -4.447 -8.763 -9.636 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -5.453 -10.007 -10.351 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -4.793 -7.463 -11.501 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -5.891 -8.659 -12.162 1.00 0.00 H new ATOM 480 N PHE A 32 -5.529 -5.626 -9.009 1.00 0.00 N ATOM 481 CA PHE A 32 -4.987 -4.470 -8.317 1.00 0.00 C ATOM 482 C PHE A 32 -5.879 -3.255 -8.585 1.00 0.00 C ATOM 483 O PHE A 32 -6.164 -2.512 -7.636 1.00 0.00 O ATOM 484 CB PHE A 32 -3.549 -4.212 -8.808 1.00 0.00 C ATOM 485 CG PHE A 32 -2.993 -2.839 -8.452 1.00 0.00 C ATOM 486 CD1 PHE A 32 -3.192 -2.301 -7.160 1.00 0.00 C ATOM 487 CD2 PHE A 32 -2.280 -2.092 -9.418 1.00 0.00 C ATOM 488 CE1 PHE A 32 -2.679 -1.027 -6.835 1.00 0.00 C ATOM 489 CE2 PHE A 32 -1.767 -0.819 -9.093 1.00 0.00 C ATOM 490 CZ PHE A 32 -1.966 -0.286 -7.802 1.00 0.00 C ATOM 0 H PHE A 32 -4.926 -5.995 -9.744 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.962 -4.653 -7.243 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.893 -4.975 -8.388 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -3.522 -4.330 -9.891 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -3.738 -2.866 -6.420 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -2.128 -2.497 -10.407 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -2.832 -0.619 -5.847 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -1.222 -0.252 -9.833 1.00 0.00 H new ATOM 0 HZ PHE A 32 -1.573 0.689 -7.554 1.00 0.00 H new ATOM 500 N LEU A 33 -6.293 -3.082 -9.853 1.00 0.00 N ATOM 501 CA LEU A 33 -7.143 -1.969 -10.240 1.00 0.00 C ATOM 502 C LEU A 33 -8.505 -2.111 -9.557 1.00 0.00 C ATOM 503 O LEU A 33 -8.975 -1.128 -8.966 1.00 0.00 O ATOM 504 CB LEU A 33 -7.227 -1.863 -11.764 1.00 0.00 C ATOM 505 CG LEU A 33 -7.893 -0.599 -12.313 1.00 0.00 C ATOM 506 CD1 LEU A 33 -7.498 0.630 -11.490 1.00 0.00 C ATOM 507 CD2 LEU A 33 -7.582 -0.417 -13.800 1.00 0.00 C ATOM 0 H LEU A 33 -6.046 -3.707 -10.620 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.713 -1.026 -9.902 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.217 -1.922 -12.169 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.772 -2.729 -12.139 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.973 -0.715 -12.222 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.985 1.515 -11.901 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.811 0.491 -10.455 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.416 0.761 -11.527 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.067 0.488 -14.165 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.504 -0.332 -13.939 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.953 -1.277 -14.357 1.00 0.00 H new ATOM 519 N ASP A 34 -9.102 -3.313 -9.651 1.00 0.00 N ATOM 520 CA ASP A 34 -10.396 -3.579 -9.046 1.00 0.00 C ATOM 521 C ASP A 34 -10.339 -3.237 -7.556 1.00 0.00 C ATOM 522 O ASP A 34 -11.282 -2.604 -7.060 1.00 0.00 O ATOM 523 CB ASP A 34 -10.773 -5.056 -9.178 1.00 0.00 C ATOM 524 CG ASP A 34 -12.134 -5.432 -8.588 1.00 0.00 C ATOM 525 OD1 ASP A 34 -12.887 -4.432 -8.274 1.00 0.00 O ATOM 526 OD2 ASP A 34 -12.458 -6.619 -8.437 1.00 0.00 O ATOM 0 H ASP A 34 -8.698 -4.110 -10.144 1.00 0.00 H new ATOM 0 HA ASP A 34 -11.139 -2.970 -9.560 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -10.765 -5.324 -10.234 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -10.005 -5.656 -8.691 1.00 0.00 H new ATOM 531 N ARG A 35 -9.251 -3.654 -6.884 1.00 0.00 N ATOM 532 CA ARG A 35 -9.076 -3.394 -5.465 1.00 0.00 C ATOM 533 C ARG A 35 -8.966 -1.885 -5.238 1.00 0.00 C ATOM 534 O ARG A 35 -9.527 -1.396 -4.247 1.00 0.00 O ATOM 535 CB ARG A 35 -7.821 -4.077 -4.918 1.00 0.00 C ATOM 536 CG ARG A 35 -8.019 -5.592 -4.823 1.00 0.00 C ATOM 537 CD ARG A 35 -6.676 -6.323 -4.861 1.00 0.00 C ATOM 538 NE ARG A 35 -5.596 -5.423 -4.399 1.00 0.00 N ATOM 539 CZ ARG A 35 -4.883 -5.613 -3.268 1.00 0.00 C ATOM 540 NH1 ARG A 35 -5.154 -6.678 -2.501 1.00 0.00 N ATOM 541 NH2 ARG A 35 -3.919 -4.751 -2.919 1.00 0.00 N ATOM 0 H ARG A 35 -8.484 -4.173 -7.312 1.00 0.00 H new ATOM 0 HA ARG A 35 -9.940 -3.798 -4.938 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -6.972 -3.857 -5.565 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -7.584 -3.675 -3.933 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -8.544 -5.837 -3.900 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -8.646 -5.933 -5.647 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -6.717 -7.210 -4.228 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -6.467 -6.664 -5.875 1.00 0.00 H new ATOM 0 HE ARG A 35 -5.376 -4.608 -4.971 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -5.889 -7.330 -2.775 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -4.625 -6.837 -1.643 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -3.719 -3.944 -3.509 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -3.385 -4.902 -2.063 1.00 0.00 H new ATOM 555 N LEU A 36 -8.258 -1.189 -6.146 1.00 0.00 N ATOM 556 CA LEU A 36 -8.079 0.249 -6.045 1.00 0.00 C ATOM 557 C LEU A 36 -9.446 0.934 -6.093 1.00 0.00 C ATOM 558 O LEU A 36 -9.664 1.874 -5.314 1.00 0.00 O ATOM 559 CB LEU A 36 -7.105 0.745 -7.115 1.00 0.00 C ATOM 560 CG LEU A 36 -6.757 2.234 -7.068 1.00 0.00 C ATOM 561 CD1 LEU A 36 -6.055 2.592 -5.757 1.00 0.00 C ATOM 562 CD2 LEU A 36 -5.932 2.643 -8.290 1.00 0.00 C ATOM 0 H LEU A 36 -7.804 -1.612 -6.956 1.00 0.00 H new ATOM 0 HA LEU A 36 -7.625 0.509 -5.089 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.181 0.174 -7.029 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.528 0.522 -8.094 1.00 0.00 H new ATOM 0 HG LEU A 36 -7.686 2.803 -7.101 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -5.819 3.656 -5.750 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.711 2.360 -4.918 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.134 2.015 -5.668 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.698 3.706 -8.232 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.006 2.068 -8.313 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.503 2.446 -9.197 1.00 0.00 H new ATOM 574 N ARG A 37 -10.326 0.458 -6.992 1.00 0.00 N ATOM 575 CA ARG A 37 -11.658 1.021 -7.139 1.00 0.00 C ATOM 576 C ARG A 37 -12.439 0.817 -5.839 1.00 0.00 C ATOM 577 O ARG A 37 -12.908 1.813 -5.270 1.00 0.00 O ATOM 578 CB ARG A 37 -12.422 0.368 -8.292 1.00 0.00 C ATOM 579 CG ARG A 37 -11.888 0.846 -9.644 1.00 0.00 C ATOM 580 CD ARG A 37 -11.988 -0.261 -10.696 1.00 0.00 C ATOM 581 NE ARG A 37 -13.408 -0.573 -10.969 1.00 0.00 N ATOM 582 CZ ARG A 37 -13.843 -1.753 -11.460 1.00 0.00 C ATOM 583 NH1 ARG A 37 -12.950 -2.716 -11.723 1.00 0.00 N ATOM 584 NH2 ARG A 37 -15.149 -1.958 -11.680 1.00 0.00 N ATOM 0 H ARG A 37 -10.127 -0.318 -7.624 1.00 0.00 H new ATOM 0 HA ARG A 37 -11.553 2.083 -7.360 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -12.333 -0.716 -8.224 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -13.483 0.606 -8.211 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -12.452 1.718 -9.974 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -10.849 1.160 -9.539 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -11.493 0.053 -11.615 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -11.472 -1.155 -10.346 1.00 0.00 H new ATOM 0 HE ARG A 37 -14.102 0.149 -10.774 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -11.958 -2.552 -11.552 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -13.262 -3.613 -12.094 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -15.823 -1.220 -11.476 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -15.469 -2.852 -12.051 1.00 0.00 H new ATOM 598 N ARG A 38 -12.561 -0.450 -5.402 1.00 0.00 N ATOM 599 CA ARG A 38 -13.278 -0.778 -4.182 1.00 0.00 C ATOM 600 C ARG A 38 -12.652 -0.021 -3.008 1.00 0.00 C ATOM 601 O ARG A 38 -13.382 0.307 -2.061 1.00 0.00 O ATOM 602 CB ARG A 38 -13.238 -2.279 -3.891 1.00 0.00 C ATOM 603 CG ARG A 38 -13.702 -3.086 -5.106 1.00 0.00 C ATOM 604 CD ARG A 38 -14.597 -4.251 -4.681 1.00 0.00 C ATOM 605 NE ARG A 38 -15.988 -4.009 -5.125 1.00 0.00 N ATOM 606 CZ ARG A 38 -16.895 -4.986 -5.339 1.00 0.00 C ATOM 607 NH1 ARG A 38 -16.535 -6.262 -5.143 1.00 0.00 N ATOM 608 NH2 ARG A 38 -18.137 -4.685 -5.741 1.00 0.00 N ATOM 0 H ARG A 38 -12.167 -1.257 -5.886 1.00 0.00 H new ATOM 0 HA ARG A 38 -14.320 -0.485 -4.314 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -12.224 -2.574 -3.620 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -13.875 -2.504 -3.036 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -14.246 -2.437 -5.792 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -12.835 -3.467 -5.647 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -14.226 -5.181 -5.111 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -14.567 -4.367 -3.598 1.00 0.00 H new ATOM 0 HE ARG A 38 -16.280 -3.044 -5.279 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -15.588 -6.483 -4.837 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -17.208 -7.012 -5.300 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -18.404 -3.711 -5.888 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -18.816 -5.429 -5.900 1.00 0.00 H new ATOM 622 N ASP A 39 -11.334 0.237 -3.092 1.00 0.00 N ATOM 623 CA ASP A 39 -10.620 0.947 -2.045 1.00 0.00 C ATOM 624 C ASP A 39 -11.020 2.424 -2.073 1.00 0.00 C ATOM 625 O ASP A 39 -11.118 3.029 -0.996 1.00 0.00 O ATOM 626 CB ASP A 39 -9.107 0.863 -2.256 1.00 0.00 C ATOM 627 CG ASP A 39 -8.433 -0.355 -1.622 1.00 0.00 C ATOM 628 OD1 ASP A 39 -9.048 -1.423 -1.479 1.00 0.00 O ATOM 629 OD2 ASP A 39 -7.208 -0.175 -1.262 1.00 0.00 O ATOM 0 H ASP A 39 -10.751 -0.042 -3.881 1.00 0.00 H new ATOM 0 HA ASP A 39 -10.877 0.488 -1.090 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.904 0.855 -3.327 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -8.648 1.765 -1.851 1.00 0.00 H new ATOM 634 N GLN A 40 -11.240 2.965 -3.285 1.00 0.00 N ATOM 635 CA GLN A 40 -11.625 4.357 -3.448 1.00 0.00 C ATOM 636 C GLN A 40 -12.998 4.580 -2.810 1.00 0.00 C ATOM 637 O GLN A 40 -13.146 5.551 -2.054 1.00 0.00 O ATOM 638 CB GLN A 40 -11.631 4.769 -4.921 1.00 0.00 C ATOM 639 CG GLN A 40 -12.059 6.230 -5.080 1.00 0.00 C ATOM 640 CD GLN A 40 -10.852 7.166 -5.002 1.00 0.00 C ATOM 641 OE1 GLN A 40 -10.258 7.185 -3.813 1.00 0.00 O flip ATOM 642 NE2 GLN A 40 -10.484 7.828 -5.959 1.00 0.00 N flip ATOM 0 H GLN A 40 -11.155 2.449 -4.160 1.00 0.00 H new ATOM 0 HA GLN A 40 -10.889 4.985 -2.946 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -10.637 4.629 -5.345 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -12.310 4.125 -5.480 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -12.565 6.362 -6.036 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -12.776 6.490 -4.301 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -10.986 7.766 -6.845 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -9.675 8.443 -5.873 1.00 0.00 H new ATOM 651 N LYS A 41 -13.959 3.692 -3.123 1.00 0.00 N ATOM 652 CA LYS A 41 -15.304 3.791 -2.584 1.00 0.00 C ATOM 653 C LYS A 41 -15.241 3.763 -1.056 1.00 0.00 C ATOM 654 O LYS A 41 -15.939 4.567 -0.421 1.00 0.00 O ATOM 655 CB LYS A 41 -16.203 2.707 -3.183 1.00 0.00 C ATOM 656 CG LYS A 41 -16.711 3.119 -4.566 1.00 0.00 C ATOM 657 CD LYS A 41 -18.237 3.036 -4.636 1.00 0.00 C ATOM 658 CE LYS A 41 -18.885 4.175 -3.847 1.00 0.00 C ATOM 659 NZ LYS A 41 -20.022 4.739 -4.594 1.00 0.00 N ATOM 0 H LYS A 41 -13.816 2.900 -3.749 1.00 0.00 H new ATOM 0 HA LYS A 41 -15.758 4.741 -2.867 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -15.649 1.771 -3.259 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -17.049 2.524 -2.520 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -16.388 4.136 -4.788 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -16.273 2.472 -5.326 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -18.560 3.080 -5.676 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -18.571 2.078 -4.239 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -19.225 3.807 -2.879 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -18.149 4.954 -3.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -20.450 5.511 -4.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -19.688 5.108 -5.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -20.731 3.997 -4.759 1.00 0.00 H new ATOM 673 N SER A 42 -14.419 2.852 -0.504 1.00 0.00 N ATOM 674 CA SER A 42 -14.269 2.723 0.935 1.00 0.00 C ATOM 675 C SER A 42 -13.564 3.965 1.484 1.00 0.00 C ATOM 676 O SER A 42 -13.926 4.411 2.582 1.00 0.00 O ATOM 677 CB SER A 42 -13.485 1.461 1.305 1.00 0.00 C ATOM 678 OG SER A 42 -13.490 1.223 2.710 1.00 0.00 O ATOM 0 H SER A 42 -13.852 2.198 -1.044 1.00 0.00 H new ATOM 0 HA SER A 42 -15.260 2.636 1.380 1.00 0.00 H new ATOM 0 HB2 SER A 42 -13.916 0.602 0.790 1.00 0.00 H new ATOM 0 HB3 SER A 42 -12.457 1.558 0.957 1.00 0.00 H new ATOM 0 HG SER A 42 -12.981 0.409 2.906 1.00 0.00 H new ATOM 684 N LEU A 43 -12.588 4.490 0.721 1.00 0.00 N ATOM 685 CA LEU A 43 -11.842 5.669 1.129 1.00 0.00 C ATOM 686 C LEU A 43 -12.791 6.867 1.201 1.00 0.00 C ATOM 687 O LEU A 43 -12.610 7.709 2.092 1.00 0.00 O ATOM 688 CB LEU A 43 -10.642 5.889 0.205 1.00 0.00 C ATOM 689 CG LEU A 43 -9.269 5.575 0.803 1.00 0.00 C ATOM 690 CD1 LEU A 43 -8.939 4.088 0.666 1.00 0.00 C ATOM 691 CD2 LEU A 43 -8.187 6.463 0.186 1.00 0.00 C ATOM 0 H LEU A 43 -12.306 4.107 -0.181 1.00 0.00 H new ATOM 0 HA LEU A 43 -11.426 5.531 2.127 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -10.777 5.276 -0.686 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -10.645 6.929 -0.121 1.00 0.00 H new ATOM 0 HG LEU A 43 -9.300 5.800 1.869 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.958 3.892 1.099 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -9.691 3.499 1.190 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.932 3.813 -0.389 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -7.221 6.220 0.628 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -8.147 6.293 -0.890 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -8.421 7.510 0.380 1.00 0.00 H new ATOM 703 N ARG A 44 -13.767 6.919 0.277 1.00 0.00 N ATOM 704 CA ARG A 44 -14.733 8.004 0.237 1.00 0.00 C ATOM 705 C ARG A 44 -15.648 7.912 1.459 1.00 0.00 C ATOM 706 O ARG A 44 -15.996 8.964 2.016 1.00 0.00 O ATOM 707 CB ARG A 44 -15.583 7.955 -1.034 1.00 0.00 C ATOM 708 CG ARG A 44 -14.921 8.739 -2.168 1.00 0.00 C ATOM 709 CD ARG A 44 -14.818 7.889 -3.436 1.00 0.00 C ATOM 710 NE ARG A 44 -16.067 8.000 -4.222 1.00 0.00 N ATOM 711 CZ ARG A 44 -16.106 8.130 -5.566 1.00 0.00 C ATOM 712 NH1 ARG A 44 -14.954 8.163 -6.249 1.00 0.00 N ATOM 713 NH2 ARG A 44 -17.280 8.225 -6.206 1.00 0.00 N ATOM 0 H ARG A 44 -13.898 6.215 -0.449 1.00 0.00 H new ATOM 0 HA ARG A 44 -14.184 8.946 0.242 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -15.727 6.919 -1.340 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -16.571 8.368 -0.831 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -15.497 9.640 -2.376 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -13.926 9.061 -1.860 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -13.970 8.218 -4.037 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -14.636 6.847 -3.172 1.00 0.00 H new ATOM 0 HE ARG A 44 -16.953 7.977 -3.718 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -14.065 8.090 -5.754 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -14.966 8.261 -7.264 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -18.152 8.199 -5.678 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -17.301 8.323 -7.221 1.00 0.00 H new ATOM 727 N GLY A 45 -16.013 6.677 1.847 1.00 0.00 N ATOM 728 CA GLY A 45 -16.879 6.453 2.992 1.00 0.00 C ATOM 729 C GLY A 45 -16.170 6.926 4.262 1.00 0.00 C ATOM 730 O GLY A 45 -16.811 7.605 5.078 1.00 0.00 O ATOM 0 H GLY A 45 -15.714 5.824 1.375 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -17.818 6.992 2.864 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -17.128 5.395 3.073 1.00 0.00 H new ATOM 734 N ARG A 46 -14.882 6.565 4.403 1.00 0.00 N ATOM 735 CA ARG A 46 -14.096 6.950 5.563 1.00 0.00 C ATOM 736 C ARG A 46 -13.799 8.450 5.497 1.00 0.00 C ATOM 737 O ARG A 46 -13.792 9.096 6.555 1.00 0.00 O ATOM 738 CB ARG A 46 -12.777 6.178 5.632 1.00 0.00 C ATOM 739 CG ARG A 46 -13.014 4.722 6.035 1.00 0.00 C ATOM 740 CD ARG A 46 -11.727 4.081 6.559 1.00 0.00 C ATOM 741 NE ARG A 46 -12.048 3.072 7.592 1.00 0.00 N ATOM 742 CZ ARG A 46 -11.245 2.774 8.635 1.00 0.00 C ATOM 743 NH1 ARG A 46 -10.078 3.421 8.762 1.00 0.00 N ATOM 744 NH2 ARG A 46 -11.608 1.845 9.530 1.00 0.00 N ATOM 0 H ARG A 46 -14.372 6.005 3.719 1.00 0.00 H new ATOM 0 HA ARG A 46 -14.674 6.714 6.456 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -12.279 6.214 4.663 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -12.110 6.654 6.351 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -13.787 4.675 6.802 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -13.382 4.159 5.177 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -11.184 3.613 5.738 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -11.074 4.847 6.978 1.00 0.00 H new ATOM 0 HE ARG A 46 -12.932 2.570 7.511 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -9.809 4.126 8.076 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -9.459 3.208 9.544 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -12.497 1.357 9.426 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -10.995 1.626 10.315 1.00 0.00 H new ATOM 758 N GLY A 47 -13.563 8.964 4.277 1.00 0.00 N ATOM 759 CA GLY A 47 -13.268 10.373 4.079 1.00 0.00 C ATOM 760 C GLY A 47 -14.474 11.208 4.516 1.00 0.00 C ATOM 761 O GLY A 47 -14.267 12.285 5.094 1.00 0.00 O ATOM 0 H GLY A 47 -13.574 8.414 3.418 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.387 10.656 4.655 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.039 10.565 3.031 1.00 0.00 H new ATOM 765 N SER A 48 -15.689 10.703 4.237 1.00 0.00 N ATOM 766 CA SER A 48 -16.913 11.397 4.599 1.00 0.00 C ATOM 767 C SER A 48 -17.173 11.216 6.096 1.00 0.00 C ATOM 768 O SER A 48 -17.406 12.224 6.780 1.00 0.00 O ATOM 769 CB SER A 48 -18.106 10.889 3.787 1.00 0.00 C ATOM 770 OG SER A 48 -18.897 11.958 3.275 1.00 0.00 O ATOM 0 H SER A 48 -15.837 9.814 3.760 1.00 0.00 H new ATOM 0 HA SER A 48 -16.791 12.456 4.373 1.00 0.00 H new ATOM 0 HB2 SER A 48 -17.747 10.275 2.961 1.00 0.00 H new ATOM 0 HB3 SER A 48 -18.725 10.248 4.415 1.00 0.00 H new ATOM 0 HG SER A 48 -19.647 11.593 2.761 1.00 0.00 H new ATOM 776 N THR A 49 -17.130 9.957 6.567 1.00 0.00 N ATOM 777 CA THR A 49 -17.359 9.651 7.969 1.00 0.00 C ATOM 778 C THR A 49 -16.362 10.432 8.827 1.00 0.00 C ATOM 779 O THR A 49 -16.804 11.231 9.665 1.00 0.00 O ATOM 780 CB THR A 49 -17.269 8.136 8.159 1.00 0.00 C ATOM 781 OG1 THR A 49 -18.299 7.619 7.321 1.00 0.00 O ATOM 782 CG2 THR A 49 -17.678 7.697 9.566 1.00 0.00 C ATOM 0 H THR A 49 -16.937 9.141 5.986 1.00 0.00 H new ATOM 0 HA THR A 49 -18.354 9.960 8.290 1.00 0.00 H new ATOM 0 HB THR A 49 -16.250 7.805 7.957 1.00 0.00 H new ATOM 0 HG1 THR A 49 -17.921 7.378 6.449 1.00 0.00 H new ATOM 0 HG21 THR A 49 -17.596 6.613 9.647 1.00 0.00 H new ATOM 0 HG22 THR A 49 -17.022 8.166 10.299 1.00 0.00 H new ATOM 0 HG23 THR A 49 -18.708 7.998 9.756 1.00 0.00 H new ATOM 790 N LEU A 50 -15.057 10.190 8.604 1.00 0.00 N ATOM 791 CA LEU A 50 -14.010 10.866 9.352 1.00 0.00 C ATOM 792 C LEU A 50 -14.002 12.350 8.982 1.00 0.00 C ATOM 793 O LEU A 50 -13.622 13.168 9.832 1.00 0.00 O ATOM 794 CB LEU A 50 -12.664 10.171 9.136 1.00 0.00 C ATOM 795 CG LEU A 50 -12.621 8.676 9.460 1.00 0.00 C ATOM 796 CD1 LEU A 50 -11.375 8.021 8.861 1.00 0.00 C ATOM 797 CD2 LEU A 50 -12.725 8.439 10.968 1.00 0.00 C ATOM 0 H LEU A 50 -14.714 9.528 7.908 1.00 0.00 H new ATOM 0 HA LEU A 50 -14.206 10.805 10.422 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -12.371 10.305 8.095 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -11.915 10.676 9.745 1.00 0.00 H new ATOM 0 HG LEU A 50 -13.487 8.201 8.999 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -11.369 6.959 9.106 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -11.385 8.144 7.778 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -10.483 8.493 9.272 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -12.692 7.369 11.171 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -11.892 8.930 11.472 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -13.665 8.850 11.337 1.00 0.00 H new ATOM 809 N GLY A 51 -14.416 12.664 7.741 1.00 0.00 N ATOM 810 CA GLY A 51 -14.456 14.036 7.266 1.00 0.00 C ATOM 811 C GLY A 51 -13.027 14.566 7.129 1.00 0.00 C ATOM 812 O GLY A 51 -12.831 15.780 7.286 1.00 0.00 O ATOM 0 H GLY A 51 -14.726 11.975 7.056 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -14.968 14.085 6.305 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -15.021 14.657 7.961 1.00 0.00 H new ATOM 816 N LEU A 52 -12.074 13.661 6.845 1.00 0.00 N ATOM 817 CA LEU A 52 -10.678 14.035 6.689 1.00 0.00 C ATOM 818 C LEU A 52 -10.343 14.130 5.199 1.00 0.00 C ATOM 819 O LEU A 52 -10.854 13.306 4.426 1.00 0.00 O ATOM 820 CB LEU A 52 -9.776 13.071 7.462 1.00 0.00 C ATOM 821 CG LEU A 52 -9.547 13.405 8.938 1.00 0.00 C ATOM 822 CD1 LEU A 52 -8.854 12.248 9.660 1.00 0.00 C ATOM 823 CD2 LEU A 52 -8.778 14.718 9.091 1.00 0.00 C ATOM 0 H LEU A 52 -12.257 12.665 6.721 1.00 0.00 H new ATOM 0 HA LEU A 52 -10.497 15.020 7.120 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -10.207 12.072 7.399 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.807 13.033 6.964 1.00 0.00 H new ATOM 0 HG LEU A 52 -10.519 13.545 9.411 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.703 12.511 10.707 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.475 11.355 9.596 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -7.889 12.053 9.192 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -8.629 14.931 10.150 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -7.809 14.632 8.598 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -9.347 15.528 8.634 1.00 0.00 H new ATOM 835 N ASN A 53 -9.506 15.116 4.832 1.00 0.00 N ATOM 836 CA ASN A 53 -9.108 15.314 3.448 1.00 0.00 C ATOM 837 C ASN A 53 -8.149 14.197 3.033 1.00 0.00 C ATOM 838 O ASN A 53 -7.180 13.949 3.766 1.00 0.00 O ATOM 839 CB ASN A 53 -8.385 16.650 3.269 1.00 0.00 C ATOM 840 CG ASN A 53 -8.464 17.125 1.816 1.00 0.00 C ATOM 841 OD1 ASN A 53 -8.010 16.241 0.932 1.00 0.00 O flip ATOM 842 ND2 ASN A 53 -8.908 18.222 1.519 1.00 0.00 N flip ATOM 0 H ASN A 53 -9.097 15.784 5.485 1.00 0.00 H new ATOM 0 HA ASN A 53 -10.008 15.306 2.833 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -8.829 17.399 3.925 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -7.341 16.545 3.565 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -9.240 18.852 2.249 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -8.947 18.509 0.541 1.00 0.00 H new ATOM 849 N ILE A 54 -8.431 13.555 1.885 1.00 0.00 N ATOM 850 CA ILE A 54 -7.599 12.477 1.381 1.00 0.00 C ATOM 851 C ILE A 54 -6.222 13.031 1.010 1.00 0.00 C ATOM 852 O ILE A 54 -5.220 12.359 1.293 1.00 0.00 O ATOM 853 CB ILE A 54 -8.301 11.752 0.230 1.00 0.00 C ATOM 854 CG1 ILE A 54 -9.241 10.667 0.758 1.00 0.00 C ATOM 855 CG2 ILE A 54 -7.284 11.194 -0.767 1.00 0.00 C ATOM 856 CD1 ILE A 54 -10.294 11.262 1.695 1.00 0.00 C ATOM 0 H ILE A 54 -9.234 13.774 1.296 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.442 11.724 2.153 1.00 0.00 H new ATOM 0 HB ILE A 54 -8.914 12.476 -0.307 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -9.733 10.169 -0.078 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -8.665 9.908 1.288 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.809 10.684 -1.575 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.692 12.011 -1.178 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.626 10.489 -0.259 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -10.949 10.469 2.056 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -9.800 11.738 2.542 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -10.884 12.003 1.156 1.00 0.00 H new ATOM 868 N GLU A 55 -6.201 14.226 0.393 1.00 0.00 N ATOM 869 CA GLU A 55 -4.958 14.862 -0.011 1.00 0.00 C ATOM 870 C GLU A 55 -4.106 15.142 1.229 1.00 0.00 C ATOM 871 O GLU A 55 -2.894 14.885 1.182 1.00 0.00 O ATOM 872 CB GLU A 55 -5.215 16.147 -0.801 1.00 0.00 C ATOM 873 CG GLU A 55 -5.804 15.835 -2.178 1.00 0.00 C ATOM 874 CD GLU A 55 -5.910 17.102 -3.029 1.00 0.00 C ATOM 875 OE1 GLU A 55 -5.009 17.994 -2.792 1.00 0.00 O ATOM 876 OE2 GLU A 55 -6.817 17.212 -3.868 1.00 0.00 O ATOM 0 H GLU A 55 -7.039 14.763 0.168 1.00 0.00 H new ATOM 0 HA GLU A 55 -4.418 14.185 -0.673 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -5.899 16.789 -0.246 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.283 16.700 -0.917 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -5.179 15.102 -2.687 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -6.791 15.387 -2.062 1.00 0.00 H new ATOM 883 N ALA A 56 -4.746 15.654 2.296 1.00 0.00 N ATOM 884 CA ALA A 56 -4.051 15.964 3.534 1.00 0.00 C ATOM 885 C ALA A 56 -3.574 14.665 4.185 1.00 0.00 C ATOM 886 O ALA A 56 -2.462 14.654 4.735 1.00 0.00 O ATOM 887 CB ALA A 56 -5.025 16.607 4.523 1.00 0.00 C ATOM 0 H ALA A 56 -5.745 15.858 2.314 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.219 16.630 3.306 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.502 16.839 5.451 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.426 17.525 4.094 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.842 15.916 4.730 1.00 0.00 H new ATOM 893 N ALA A 57 -4.408 13.613 4.112 1.00 0.00 N ATOM 894 CA ALA A 57 -4.073 12.322 4.690 1.00 0.00 C ATOM 895 C ALA A 57 -2.859 11.742 3.961 1.00 0.00 C ATOM 896 O ALA A 57 -1.962 11.215 4.636 1.00 0.00 O ATOM 897 CB ALA A 57 -5.223 11.340 4.459 1.00 0.00 C ATOM 0 H ALA A 57 -5.319 13.643 3.655 1.00 0.00 H new ATOM 0 HA ALA A 57 -3.877 12.460 5.753 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -4.969 10.373 4.893 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.128 11.723 4.930 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.392 11.223 3.389 1.00 0.00 H new ATOM 903 N THR A 58 -2.855 11.847 2.620 1.00 0.00 N ATOM 904 CA THR A 58 -1.762 11.336 1.811 1.00 0.00 C ATOM 905 C THR A 58 -0.468 12.056 2.196 1.00 0.00 C ATOM 906 O THR A 58 0.583 11.400 2.238 1.00 0.00 O ATOM 907 CB THR A 58 -2.130 11.496 0.335 1.00 0.00 C ATOM 908 OG1 THR A 58 -3.228 10.605 0.152 1.00 0.00 O ATOM 909 CG2 THR A 58 -1.049 10.951 -0.601 1.00 0.00 C ATOM 0 H THR A 58 -3.604 12.284 2.083 1.00 0.00 H new ATOM 0 HA THR A 58 -1.593 10.274 1.990 1.00 0.00 H new ATOM 0 HB THR A 58 -2.302 12.550 0.117 1.00 0.00 H new ATOM 0 HG1 THR A 58 -4.048 11.022 0.490 1.00 0.00 H new ATOM 0 HG21 THR A 58 -1.361 11.089 -1.636 1.00 0.00 H new ATOM 0 HG22 THR A 58 -0.115 11.486 -0.429 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.900 9.889 -0.406 1.00 0.00 H new ATOM 917 N HIS A 59 -0.568 13.370 2.466 1.00 0.00 N ATOM 918 CA HIS A 59 0.586 14.169 2.843 1.00 0.00 C ATOM 919 C HIS A 59 1.168 13.630 4.151 1.00 0.00 C ATOM 920 O HIS A 59 2.344 13.239 4.157 1.00 0.00 O ATOM 921 CB HIS A 59 0.222 15.653 2.923 1.00 0.00 C ATOM 922 CG HIS A 59 0.184 16.348 1.583 1.00 0.00 C ATOM 923 ND1 HIS A 59 -0.336 15.950 0.387 1.00 0.00 N flip ATOM 924 CD2 HIS A 59 0.726 17.604 1.375 1.00 0.00 C flip ATOM 925 CE1 HIS A 59 -0.124 16.911 -0.504 1.00 0.00 C flip ATOM 926 NE2 HIS A 59 0.535 17.938 0.107 1.00 0.00 N flip ATOM 0 H HIS A 59 -1.444 13.892 2.427 1.00 0.00 H new ATOM 0 HA HIS A 59 1.357 14.089 2.076 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -0.753 15.752 3.400 1.00 0.00 H new ATOM 0 HB3 HIS A 59 0.944 16.160 3.564 1.00 0.00 H new ATOM 0 HD1 HIS A 59 -0.808 15.064 0.207 1.00 0.00 H new ATOM 0 HD2 HIS A 59 1.221 18.210 2.120 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -0.424 16.884 -1.541 1.00 0.00 H new ATOM 934 N VAL A 60 0.347 13.619 5.217 1.00 0.00 N ATOM 935 CA VAL A 60 0.778 13.132 6.516 1.00 0.00 C ATOM 936 C VAL A 60 1.407 11.747 6.354 1.00 0.00 C ATOM 937 O VAL A 60 2.394 11.463 7.048 1.00 0.00 O ATOM 938 CB VAL A 60 -0.398 13.145 7.496 1.00 0.00 C ATOM 939 CG1 VAL A 60 -0.074 12.333 8.751 1.00 0.00 C ATOM 940 CG2 VAL A 60 -0.796 14.577 7.856 1.00 0.00 C ATOM 0 H VAL A 60 -0.619 13.945 5.192 1.00 0.00 H new ATOM 0 HA VAL A 60 1.541 13.787 6.936 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.250 12.675 7.004 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.926 12.358 9.431 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.137 11.301 8.472 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.798 12.761 9.246 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.634 14.557 8.553 1.00 0.00 H new ATOM 0 HG22 VAL A 60 0.050 15.084 8.319 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.089 15.111 6.952 1.00 0.00 H new ATOM 950 N GLY A 61 0.832 10.926 5.457 1.00 0.00 N ATOM 951 CA GLY A 61 1.333 9.585 5.209 1.00 0.00 C ATOM 952 C GLY A 61 2.774 9.669 4.703 1.00 0.00 C ATOM 953 O GLY A 61 3.630 8.947 5.237 1.00 0.00 O ATOM 0 H GLY A 61 0.018 11.179 4.896 1.00 0.00 H new ATOM 0 HA2 GLY A 61 1.291 8.994 6.124 1.00 0.00 H new ATOM 0 HA3 GLY A 61 0.706 9.080 4.474 1.00 0.00 H new ATOM 957 N LYS A 62 3.011 10.534 3.701 1.00 0.00 N ATOM 958 CA LYS A 62 4.337 10.708 3.131 1.00 0.00 C ATOM 959 C LYS A 62 5.353 10.892 4.261 1.00 0.00 C ATOM 960 O LYS A 62 6.429 10.282 4.190 1.00 0.00 O ATOM 961 CB LYS A 62 4.336 11.850 2.113 1.00 0.00 C ATOM 962 CG LYS A 62 5.747 12.406 1.911 1.00 0.00 C ATOM 963 CD LYS A 62 6.668 11.354 1.289 1.00 0.00 C ATOM 964 CE LYS A 62 7.948 11.191 2.110 1.00 0.00 C ATOM 965 NZ LYS A 62 9.122 11.603 1.322 1.00 0.00 N ATOM 0 H LYS A 62 2.292 11.120 3.276 1.00 0.00 H new ATOM 0 HA LYS A 62 4.634 9.818 2.577 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.942 11.493 1.161 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.673 12.645 2.454 1.00 0.00 H new ATOM 0 HG2 LYS A 62 5.707 13.285 1.268 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.154 12.730 2.869 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.146 10.399 1.229 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.920 11.644 0.269 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.883 11.791 3.018 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.058 10.152 2.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 9.898 10.928 1.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.874 11.621 0.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.425 12.552 1.621 1.00 0.00 H new ATOM 979 N GLN A 63 4.997 11.716 5.262 1.00 0.00 N ATOM 980 CA GLN A 63 5.871 11.976 6.393 1.00 0.00 C ATOM 981 C GLN A 63 5.964 10.718 7.259 1.00 0.00 C ATOM 982 O GLN A 63 7.051 10.447 7.791 1.00 0.00 O ATOM 983 CB GLN A 63 5.388 13.172 7.215 1.00 0.00 C ATOM 984 CG GLN A 63 6.039 14.469 6.731 1.00 0.00 C ATOM 985 CD GLN A 63 5.435 14.923 5.401 1.00 0.00 C ATOM 986 OE1 GLN A 63 4.115 14.781 5.330 1.00 0.00 O flip ATOM 987 NE2 GLN A 63 6.123 15.373 4.498 1.00 0.00 N flip ATOM 0 H GLN A 63 4.105 12.209 5.300 1.00 0.00 H new ATOM 0 HA GLN A 63 6.862 12.230 6.017 1.00 0.00 H new ATOM 0 HB2 GLN A 63 4.304 13.255 7.140 1.00 0.00 H new ATOM 0 HB3 GLN A 63 5.624 13.013 8.267 1.00 0.00 H new ATOM 0 HG2 GLN A 63 5.905 15.249 7.480 1.00 0.00 H new ATOM 0 HG3 GLN A 63 7.112 14.320 6.615 1.00 0.00 H new ATOM 0 HE21 GLN A 63 7.133 15.455 4.618 1.00 0.00 H new ATOM 0 HE22 GLN A 63 5.688 15.667 3.623 1.00 0.00 H new ATOM 996 N ILE A 64 4.842 9.987 7.382 1.00 0.00 N ATOM 997 CA ILE A 64 4.799 8.770 8.176 1.00 0.00 C ATOM 998 C ILE A 64 5.770 7.746 7.586 1.00 0.00 C ATOM 999 O ILE A 64 6.384 7.000 8.363 1.00 0.00 O ATOM 1000 CB ILE A 64 3.362 8.258 8.293 1.00 0.00 C ATOM 1001 CG1 ILE A 64 2.574 9.065 9.327 1.00 0.00 C ATOM 1002 CG2 ILE A 64 3.337 6.759 8.596 1.00 0.00 C ATOM 1003 CD1 ILE A 64 3.016 8.713 10.749 1.00 0.00 C ATOM 0 H ILE A 64 3.957 10.228 6.936 1.00 0.00 H new ATOM 0 HA ILE A 64 5.127 8.969 9.196 1.00 0.00 H new ATOM 0 HB ILE A 64 2.870 8.400 7.331 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.720 10.131 9.150 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.508 8.866 9.214 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.304 6.421 8.674 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.836 6.217 7.793 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.853 6.569 9.537 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.441 9.300 11.465 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.846 7.652 10.931 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.077 8.936 10.866 1.00 0.00 H new ATOM 1015 N VAL A 65 5.890 7.731 6.247 1.00 0.00 N ATOM 1016 CA VAL A 65 6.779 6.807 5.563 1.00 0.00 C ATOM 1017 C VAL A 65 8.227 7.259 5.760 1.00 0.00 C ATOM 1018 O VAL A 65 9.075 6.407 6.062 1.00 0.00 O ATOM 1019 CB VAL A 65 6.383 6.693 4.090 1.00 0.00 C ATOM 1020 CG1 VAL A 65 7.484 6.009 3.277 1.00 0.00 C ATOM 1021 CG2 VAL A 65 5.050 5.958 3.935 1.00 0.00 C ATOM 0 H VAL A 65 5.376 8.355 5.625 1.00 0.00 H new ATOM 0 HA VAL A 65 6.690 5.807 5.987 1.00 0.00 H new ATOM 0 HB VAL A 65 6.256 7.702 3.699 1.00 0.00 H new ATOM 0 HG11 VAL A 65 7.177 5.941 2.233 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.403 6.591 3.347 1.00 0.00 H new ATOM 0 HG13 VAL A 65 7.658 5.007 3.670 1.00 0.00 H new ATOM 0 HG21 VAL A 65 4.792 5.891 2.878 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.137 4.955 4.352 1.00 0.00 H new ATOM 0 HG23 VAL A 65 4.270 6.504 4.465 1.00 0.00 H new ATOM 1031 N GLU A 66 8.477 8.570 5.587 1.00 0.00 N ATOM 1032 CA GLU A 66 9.810 9.126 5.745 1.00 0.00 C ATOM 1033 C GLU A 66 10.280 8.912 7.185 1.00 0.00 C ATOM 1034 O GLU A 66 11.494 8.774 7.394 1.00 0.00 O ATOM 1035 CB GLU A 66 9.847 10.610 5.371 1.00 0.00 C ATOM 1036 CG GLU A 66 10.494 10.813 4.000 1.00 0.00 C ATOM 1037 CD GLU A 66 10.727 12.299 3.718 1.00 0.00 C ATOM 1038 OE1 GLU A 66 9.663 13.029 3.726 1.00 0.00 O ATOM 1039 OE2 GLU A 66 11.875 12.717 3.505 1.00 0.00 O ATOM 0 H GLU A 66 7.764 9.255 5.337 1.00 0.00 H new ATOM 0 HA GLU A 66 10.487 8.609 5.065 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.834 11.012 5.362 1.00 0.00 H new ATOM 0 HB3 GLU A 66 10.404 11.165 6.126 1.00 0.00 H new ATOM 0 HG2 GLU A 66 11.443 10.278 3.959 1.00 0.00 H new ATOM 0 HG3 GLU A 66 9.855 10.388 3.226 1.00 0.00 H new ATOM 1046 N LYS A 67 9.327 8.889 8.133 1.00 0.00 N ATOM 1047 CA LYS A 67 9.642 8.694 9.538 1.00 0.00 C ATOM 1048 C LYS A 67 10.072 7.242 9.763 1.00 0.00 C ATOM 1049 O LYS A 67 10.999 7.018 10.554 1.00 0.00 O ATOM 1050 CB LYS A 67 8.468 9.130 10.417 1.00 0.00 C ATOM 1051 CG LYS A 67 8.484 10.644 10.640 1.00 0.00 C ATOM 1052 CD LYS A 67 7.798 11.010 11.959 1.00 0.00 C ATOM 1053 CE LYS A 67 7.118 12.377 11.861 1.00 0.00 C ATOM 1054 NZ LYS A 67 8.121 13.443 11.711 1.00 0.00 N ATOM 0 H LYS A 67 8.332 9.005 7.939 1.00 0.00 H new ATOM 0 HA LYS A 67 10.481 9.325 9.831 1.00 0.00 H new ATOM 0 HB2 LYS A 67 7.529 8.838 9.947 1.00 0.00 H new ATOM 0 HB3 LYS A 67 8.517 8.617 11.377 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.513 11.003 10.649 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.979 11.143 9.813 1.00 0.00 H new ATOM 0 HD2 LYS A 67 7.059 10.250 12.212 1.00 0.00 H new ATOM 0 HD3 LYS A 67 8.532 11.022 12.764 1.00 0.00 H new ATOM 0 HE2 LYS A 67 6.435 12.390 11.011 1.00 0.00 H new ATOM 0 HE3 LYS A 67 6.519 12.556 12.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 7.649 14.369 11.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 8.807 13.387 12.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 8.618 13.327 10.805 1.00 0.00 H new ATOM 1068 N ILE A 68 9.401 6.302 9.074 1.00 0.00 N ATOM 1069 CA ILE A 68 9.712 4.888 9.198 1.00 0.00 C ATOM 1070 C ILE A 68 10.990 4.581 8.416 1.00 0.00 C ATOM 1071 O ILE A 68 11.724 3.668 8.821 1.00 0.00 O ATOM 1072 CB ILE A 68 8.513 4.037 8.775 1.00 0.00 C ATOM 1073 CG1 ILE A 68 7.609 3.730 9.971 1.00 0.00 C ATOM 1074 CG2 ILE A 68 8.969 2.764 8.060 1.00 0.00 C ATOM 1075 CD1 ILE A 68 6.137 3.953 9.618 1.00 0.00 C ATOM 0 H ILE A 68 8.640 6.508 8.427 1.00 0.00 H new ATOM 0 HA ILE A 68 9.905 4.630 10.239 1.00 0.00 H new ATOM 0 HB ILE A 68 7.921 4.612 8.063 1.00 0.00 H new ATOM 0 HG12 ILE A 68 7.758 2.698 10.288 1.00 0.00 H new ATOM 0 HG13 ILE A 68 7.885 4.365 10.813 1.00 0.00 H new ATOM 0 HG21 ILE A 68 8.097 2.177 7.770 1.00 0.00 H new ATOM 0 HG22 ILE A 68 9.539 3.031 7.170 1.00 0.00 H new ATOM 0 HG23 ILE A 68 9.596 2.175 8.730 1.00 0.00 H new ATOM 0 HD11 ILE A 68 5.517 3.728 10.485 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.987 4.992 9.324 1.00 0.00 H new ATOM 0 HD13 ILE A 68 5.858 3.299 8.792 1.00 0.00 H new ATOM 1087 N LEU A 69 11.227 5.336 7.328 1.00 0.00 N ATOM 1088 CA LEU A 69 12.406 5.146 6.500 1.00 0.00 C ATOM 1089 C LEU A 69 13.628 5.720 7.219 1.00 0.00 C ATOM 1090 O LEU A 69 14.727 5.174 7.043 1.00 0.00 O ATOM 1091 CB LEU A 69 12.181 5.732 5.105 1.00 0.00 C ATOM 1092 CG LEU A 69 11.414 4.847 4.120 1.00 0.00 C ATOM 1093 CD1 LEU A 69 11.032 5.630 2.863 1.00 0.00 C ATOM 1094 CD2 LEU A 69 12.206 3.582 3.789 1.00 0.00 C ATOM 0 H LEU A 69 10.609 6.083 7.011 1.00 0.00 H new ATOM 0 HA LEU A 69 12.597 4.084 6.347 1.00 0.00 H new ATOM 0 HB2 LEU A 69 11.643 6.674 5.211 1.00 0.00 H new ATOM 0 HB3 LEU A 69 13.153 5.967 4.671 1.00 0.00 H new ATOM 0 HG LEU A 69 10.486 4.530 4.596 1.00 0.00 H new ATOM 0 HD11 LEU A 69 10.488 4.978 2.180 1.00 0.00 H new ATOM 0 HD12 LEU A 69 10.401 6.475 3.138 1.00 0.00 H new ATOM 0 HD13 LEU A 69 11.935 5.996 2.374 1.00 0.00 H new ATOM 0 HD21 LEU A 69 11.639 2.971 3.087 1.00 0.00 H new ATOM 0 HD22 LEU A 69 13.161 3.857 3.341 1.00 0.00 H new ATOM 0 HD23 LEU A 69 12.384 3.015 4.703 1.00 0.00 H new ATOM 1106 N LYS A 70 13.416 6.793 8.003 1.00 0.00 N ATOM 1107 CA LYS A 70 14.492 7.432 8.740 1.00 0.00 C ATOM 1108 C LYS A 70 15.031 6.462 9.793 1.00 0.00 C ATOM 1109 O LYS A 70 16.218 6.564 10.136 1.00 0.00 O ATOM 1110 CB LYS A 70 14.025 8.770 9.318 1.00 0.00 C ATOM 1111 CG LYS A 70 15.212 9.699 9.578 1.00 0.00 C ATOM 1112 CD LYS A 70 15.323 10.766 8.486 1.00 0.00 C ATOM 1113 CE LYS A 70 15.514 10.124 7.111 1.00 0.00 C ATOM 1114 NZ LYS A 70 16.888 9.615 6.965 1.00 0.00 N ATOM 0 H LYS A 70 12.503 7.227 8.135 1.00 0.00 H new ATOM 0 HA LYS A 70 15.320 7.671 8.073 1.00 0.00 H new ATOM 0 HB2 LYS A 70 13.330 9.246 8.626 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.482 8.599 10.248 1.00 0.00 H new ATOM 0 HG2 LYS A 70 15.097 10.179 10.550 1.00 0.00 H new ATOM 0 HG3 LYS A 70 16.132 9.117 9.617 1.00 0.00 H new ATOM 0 HD2 LYS A 70 14.424 11.382 8.482 1.00 0.00 H new ATOM 0 HD3 LYS A 70 16.162 11.427 8.702 1.00 0.00 H new ATOM 0 HE2 LYS A 70 14.802 9.309 6.982 1.00 0.00 H new ATOM 0 HE3 LYS A 70 15.306 10.855 6.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 17.327 10.038 6.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 17.443 9.867 7.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 16.866 8.580 6.862 1.00 0.00 H new ATOM 1128 N GLU A 71 14.163 5.555 10.276 1.00 0.00 N ATOM 1129 CA GLU A 71 14.550 4.578 11.279 1.00 0.00 C ATOM 1130 C GLU A 71 15.310 3.434 10.605 1.00 0.00 C ATOM 1131 O GLU A 71 16.025 2.706 11.308 1.00 0.00 O ATOM 1132 CB GLU A 71 13.336 4.052 12.048 1.00 0.00 C ATOM 1133 CG GLU A 71 12.126 4.967 11.855 1.00 0.00 C ATOM 1134 CD GLU A 71 10.976 4.557 12.777 1.00 0.00 C ATOM 1135 OE1 GLU A 71 10.798 3.361 13.052 1.00 0.00 O ATOM 1136 OE2 GLU A 71 10.253 5.532 13.214 1.00 0.00 O ATOM 0 H GLU A 71 13.189 5.488 9.980 1.00 0.00 H new ATOM 0 HA GLU A 71 15.201 5.063 12.006 1.00 0.00 H new ATOM 0 HB2 GLU A 71 13.093 3.046 11.707 1.00 0.00 H new ATOM 0 HB3 GLU A 71 13.576 3.980 13.109 1.00 0.00 H new ATOM 0 HG2 GLU A 71 12.410 5.999 12.059 1.00 0.00 H new ATOM 0 HG3 GLU A 71 11.797 4.926 10.817 1.00 0.00 H new ATOM 1199 N SER B 3 3.520 -9.208 -17.743 1.00 0.00 N ATOM 1200 CA SER B 3 4.529 -8.570 -16.915 1.00 0.00 C ATOM 1201 C SER B 3 3.847 -7.625 -15.924 1.00 0.00 C ATOM 1202 O SER B 3 4.319 -7.527 -14.782 1.00 0.00 O ATOM 1203 CB SER B 3 5.549 -7.806 -17.762 1.00 0.00 C ATOM 1204 OG SER B 3 6.577 -7.225 -16.965 1.00 0.00 O ATOM 0 HA SER B 3 5.070 -9.344 -16.372 1.00 0.00 H new ATOM 0 HB2 SER B 3 5.994 -8.483 -18.491 1.00 0.00 H new ATOM 0 HB3 SER B 3 5.040 -7.023 -18.324 1.00 0.00 H new ATOM 0 HG SER B 3 7.209 -6.748 -17.543 1.00 0.00 H new ATOM 1210 N ASN B 4 2.768 -6.958 -16.373 1.00 0.00 N ATOM 1211 CA ASN B 4 2.031 -6.031 -15.532 1.00 0.00 C ATOM 1212 C ASN B 4 1.685 -6.715 -14.208 1.00 0.00 C ATOM 1213 O ASN B 4 1.664 -6.026 -13.177 1.00 0.00 O ATOM 1214 CB ASN B 4 0.722 -5.604 -16.200 1.00 0.00 C ATOM 1215 CG ASN B 4 0.956 -4.453 -17.180 1.00 0.00 C ATOM 1216 OD1 ASN B 4 1.988 -4.351 -17.823 1.00 0.00 O ATOM 1217 ND2 ASN B 4 -0.056 -3.594 -17.258 1.00 0.00 N ATOM 0 H ASN B 4 2.396 -7.053 -17.318 1.00 0.00 H new ATOM 0 HA ASN B 4 2.656 -5.153 -15.369 1.00 0.00 H new ATOM 0 HB2 ASN B 4 0.285 -6.452 -16.727 1.00 0.00 H new ATOM 0 HB3 ASN B 4 0.004 -5.298 -15.439 1.00 0.00 H new ATOM 0 HD21 ASN B 4 0.004 -2.791 -17.884 1.00 0.00 H new ATOM 0 HD22 ASN B 4 -0.892 -3.738 -16.692 1.00 0.00 H new ATOM 1224 N THR B 5 1.426 -8.033 -14.261 1.00 0.00 N ATOM 1225 CA THR B 5 1.085 -8.799 -13.073 1.00 0.00 C ATOM 1226 C THR B 5 2.299 -8.856 -12.143 1.00 0.00 C ATOM 1227 O THR B 5 2.111 -8.753 -10.922 1.00 0.00 O ATOM 1228 CB THR B 5 0.588 -10.179 -13.508 1.00 0.00 C ATOM 1229 OG1 THR B 5 -0.626 -9.907 -14.203 1.00 0.00 O ATOM 1230 CG2 THR B 5 0.153 -11.045 -12.324 1.00 0.00 C ATOM 0 H THR B 5 1.449 -8.581 -15.121 1.00 0.00 H new ATOM 0 HA THR B 5 0.281 -8.327 -12.508 1.00 0.00 H new ATOM 0 HB THR B 5 1.375 -10.690 -14.062 1.00 0.00 H new ATOM 0 HG1 THR B 5 -1.016 -10.748 -14.522 1.00 0.00 H new ATOM 0 HG21 THR B 5 -0.191 -12.013 -12.688 1.00 0.00 H new ATOM 0 HG22 THR B 5 0.997 -11.190 -11.650 1.00 0.00 H new ATOM 0 HG23 THR B 5 -0.658 -10.550 -11.789 1.00 0.00 H new ATOM 1238 N VAL B 6 3.499 -9.017 -12.728 1.00 0.00 N ATOM 1239 CA VAL B 6 4.729 -9.087 -11.957 1.00 0.00 C ATOM 1240 C VAL B 6 4.978 -7.738 -11.280 1.00 0.00 C ATOM 1241 O VAL B 6 5.329 -7.730 -10.091 1.00 0.00 O ATOM 1242 CB VAL B 6 5.886 -9.528 -12.856 1.00 0.00 C ATOM 1243 CG1 VAL B 6 7.188 -9.636 -12.060 1.00 0.00 C ATOM 1244 CG2 VAL B 6 5.562 -10.848 -13.559 1.00 0.00 C ATOM 0 H VAL B 6 3.631 -9.100 -13.736 1.00 0.00 H new ATOM 0 HA VAL B 6 4.644 -9.836 -11.169 1.00 0.00 H new ATOM 0 HB VAL B 6 6.024 -8.765 -13.623 1.00 0.00 H new ATOM 0 HG11 VAL B 6 7.994 -9.951 -12.722 1.00 0.00 H new ATOM 0 HG12 VAL B 6 7.432 -8.666 -11.628 1.00 0.00 H new ATOM 0 HG13 VAL B 6 7.067 -10.369 -11.262 1.00 0.00 H new ATOM 0 HG21 VAL B 6 6.401 -11.139 -14.192 1.00 0.00 H new ATOM 0 HG22 VAL B 6 5.384 -11.623 -12.814 1.00 0.00 H new ATOM 0 HG23 VAL B 6 4.670 -10.724 -14.173 1.00 0.00 H new ATOM 1254 N SER B 7 4.796 -6.641 -12.038 1.00 0.00 N ATOM 1255 CA SER B 7 5.000 -5.301 -11.514 1.00 0.00 C ATOM 1256 C SER B 7 4.007 -5.045 -10.379 1.00 0.00 C ATOM 1257 O SER B 7 4.444 -4.631 -9.295 1.00 0.00 O ATOM 1258 CB SER B 7 4.841 -4.243 -12.607 1.00 0.00 C ATOM 1259 OG SER B 7 3.681 -4.468 -13.404 1.00 0.00 O ATOM 0 H SER B 7 4.507 -6.669 -13.016 1.00 0.00 H new ATOM 0 HA SER B 7 6.019 -5.229 -11.134 1.00 0.00 H new ATOM 0 HB2 SER B 7 4.780 -3.256 -12.149 1.00 0.00 H new ATOM 0 HB3 SER B 7 5.725 -4.245 -13.245 1.00 0.00 H new ATOM 0 HG SER B 7 3.165 -5.212 -13.028 1.00 0.00 H new ATOM 1265 N SER B 8 2.712 -5.292 -10.645 1.00 0.00 N ATOM 1266 CA SER B 8 1.670 -5.089 -9.652 1.00 0.00 C ATOM 1267 C SER B 8 2.020 -5.871 -8.384 1.00 0.00 C ATOM 1268 O SER B 8 1.726 -5.376 -7.287 1.00 0.00 O ATOM 1269 CB SER B 8 0.301 -5.522 -10.181 1.00 0.00 C ATOM 1270 OG SER B 8 -0.001 -4.920 -11.437 1.00 0.00 O ATOM 0 H SER B 8 2.373 -5.633 -11.545 1.00 0.00 H new ATOM 0 HA SER B 8 1.612 -4.025 -9.424 1.00 0.00 H new ATOM 0 HB2 SER B 8 0.279 -6.607 -10.284 1.00 0.00 H new ATOM 0 HB3 SER B 8 -0.469 -5.255 -9.457 1.00 0.00 H new ATOM 0 HG SER B 8 0.280 -5.517 -12.162 1.00 0.00 H new ATOM 1276 N PHE B 9 2.632 -7.056 -8.557 1.00 0.00 N ATOM 1277 CA PHE B 9 3.017 -7.894 -7.435 1.00 0.00 C ATOM 1278 C PHE B 9 4.125 -7.199 -6.641 1.00 0.00 C ATOM 1279 O PHE B 9 3.995 -7.095 -5.413 1.00 0.00 O ATOM 1280 CB PHE B 9 3.497 -9.260 -7.963 1.00 0.00 C ATOM 1281 CG PHE B 9 3.599 -10.350 -6.904 1.00 0.00 C ATOM 1282 CD1 PHE B 9 2.570 -10.515 -5.947 1.00 0.00 C ATOM 1283 CD2 PHE B 9 4.728 -11.201 -6.868 1.00 0.00 C ATOM 1284 CE1 PHE B 9 2.670 -11.523 -4.965 1.00 0.00 C ATOM 1285 CE2 PHE B 9 4.827 -12.209 -5.886 1.00 0.00 C ATOM 1286 CZ PHE B 9 3.798 -12.371 -4.934 1.00 0.00 C ATOM 0 H PHE B 9 2.866 -7.445 -9.470 1.00 0.00 H new ATOM 0 HA PHE B 9 2.164 -8.054 -6.775 1.00 0.00 H new ATOM 0 HB2 PHE B 9 2.813 -9.593 -8.744 1.00 0.00 H new ATOM 0 HB3 PHE B 9 4.474 -9.132 -8.428 1.00 0.00 H new ATOM 0 HD1 PHE B 9 1.706 -9.868 -5.968 1.00 0.00 H new ATOM 0 HD2 PHE B 9 5.517 -11.079 -7.595 1.00 0.00 H new ATOM 0 HE1 PHE B 9 1.883 -11.646 -4.236 1.00 0.00 H new ATOM 0 HE2 PHE B 9 5.691 -12.857 -5.863 1.00 0.00 H new ATOM 0 HZ PHE B 9 3.873 -13.143 -4.182 1.00 0.00 H new ATOM 1296 N GLN B 10 5.177 -6.744 -7.346 1.00 0.00 N ATOM 1297 CA GLN B 10 6.294 -6.066 -6.712 1.00 0.00 C ATOM 1298 C GLN B 10 5.768 -4.900 -5.874 1.00 0.00 C ATOM 1299 O GLN B 10 6.292 -4.682 -4.771 1.00 0.00 O ATOM 1300 CB GLN B 10 7.317 -5.583 -7.743 1.00 0.00 C ATOM 1301 CG GLN B 10 8.539 -6.503 -7.775 1.00 0.00 C ATOM 1302 CD GLN B 10 8.996 -6.757 -9.213 1.00 0.00 C ATOM 1303 OE1 GLN B 10 9.223 -5.844 -9.990 1.00 0.00 O ATOM 1304 NE2 GLN B 10 9.118 -8.045 -9.523 1.00 0.00 N ATOM 0 H GLN B 10 5.265 -6.840 -8.358 1.00 0.00 H new ATOM 0 HA GLN B 10 6.809 -6.773 -6.062 1.00 0.00 H new ATOM 0 HB2 GLN B 10 6.856 -5.550 -8.730 1.00 0.00 H new ATOM 0 HB3 GLN B 10 7.629 -4.567 -7.503 1.00 0.00 H new ATOM 0 HG2 GLN B 10 9.352 -6.053 -7.205 1.00 0.00 H new ATOM 0 HG3 GLN B 10 8.298 -7.451 -7.293 1.00 0.00 H new ATOM 0 HE21 GLN B 10 8.912 -8.759 -8.825 1.00 0.00 H new ATOM 0 HE22 GLN B 10 9.418 -8.318 -10.459 1.00 0.00 H new ATOM 1313 N VAL B 11 4.759 -4.185 -6.403 1.00 0.00 N ATOM 1314 CA VAL B 11 4.170 -3.053 -5.708 1.00 0.00 C ATOM 1315 C VAL B 11 3.503 -3.541 -4.420 1.00 0.00 C ATOM 1316 O VAL B 11 3.819 -3.000 -3.350 1.00 0.00 O ATOM 1317 CB VAL B 11 3.206 -2.312 -6.637 1.00 0.00 C ATOM 1318 CG1 VAL B 11 2.205 -1.478 -5.835 1.00 0.00 C ATOM 1319 CG2 VAL B 11 3.969 -1.442 -7.637 1.00 0.00 C ATOM 0 H VAL B 11 4.342 -4.381 -7.313 1.00 0.00 H new ATOM 0 HA VAL B 11 4.941 -2.337 -5.423 1.00 0.00 H new ATOM 0 HB VAL B 11 2.645 -3.057 -7.202 1.00 0.00 H new ATOM 0 HG11 VAL B 11 1.531 -0.961 -6.519 1.00 0.00 H new ATOM 0 HG12 VAL B 11 1.627 -2.132 -5.182 1.00 0.00 H new ATOM 0 HG13 VAL B 11 2.742 -0.746 -5.232 1.00 0.00 H new ATOM 0 HG21 VAL B 11 3.261 -0.926 -8.285 1.00 0.00 H new ATOM 0 HG22 VAL B 11 4.568 -0.708 -7.098 1.00 0.00 H new ATOM 0 HG23 VAL B 11 4.623 -2.071 -8.241 1.00 0.00 H new ATOM 1329 N ASP B 12 2.609 -4.538 -4.546 1.00 0.00 N ATOM 1330 CA ASP B 12 1.907 -5.092 -3.401 1.00 0.00 C ATOM 1331 C ASP B 12 2.926 -5.556 -2.359 1.00 0.00 C ATOM 1332 O ASP B 12 2.637 -5.440 -1.159 1.00 0.00 O ATOM 1333 CB ASP B 12 1.060 -6.300 -3.806 1.00 0.00 C ATOM 1334 CG ASP B 12 -0.380 -5.975 -4.208 1.00 0.00 C ATOM 1335 OD1 ASP B 12 -0.813 -4.814 -4.149 1.00 0.00 O ATOM 1336 OD2 ASP B 12 -1.078 -6.986 -4.601 1.00 0.00 O ATOM 0 H ASP B 12 2.363 -4.970 -5.437 1.00 0.00 H new ATOM 0 HA ASP B 12 1.257 -4.316 -2.996 1.00 0.00 H new ATOM 0 HB2 ASP B 12 1.549 -6.804 -4.639 1.00 0.00 H new ATOM 0 HB3 ASP B 12 1.039 -7.005 -2.975 1.00 0.00 H new ATOM 1341 N CYS B 13 4.079 -6.065 -2.829 1.00 0.00 N ATOM 1342 CA CYS B 13 5.128 -6.542 -1.943 1.00 0.00 C ATOM 1343 C CYS B 13 5.656 -5.372 -1.110 1.00 0.00 C ATOM 1344 O CYS B 13 5.590 -5.451 0.125 1.00 0.00 O ATOM 1345 CB CYS B 13 6.243 -7.232 -2.731 1.00 0.00 C ATOM 1346 SG CYS B 13 5.884 -8.944 -3.221 1.00 0.00 S ATOM 0 H CYS B 13 4.297 -6.152 -3.822 1.00 0.00 H new ATOM 0 HA CYS B 13 4.717 -7.291 -1.266 1.00 0.00 H new ATOM 0 HB2 CYS B 13 6.449 -6.648 -3.628 1.00 0.00 H new ATOM 0 HB3 CYS B 13 7.152 -7.224 -2.129 1.00 0.00 H new ATOM 0 HG CYS B 13 6.894 -9.427 -3.883 1.00 0.00 H new ATOM 1352 N PHE B 14 6.162 -4.328 -1.791 1.00 0.00 N ATOM 1353 CA PHE B 14 6.696 -3.156 -1.118 1.00 0.00 C ATOM 1354 C PHE B 14 5.636 -2.592 -0.169 1.00 0.00 C ATOM 1355 O PHE B 14 5.989 -2.237 0.965 1.00 0.00 O ATOM 1356 CB PHE B 14 7.101 -2.107 -2.171 1.00 0.00 C ATOM 1357 CG PHE B 14 7.697 -0.829 -1.597 1.00 0.00 C ATOM 1358 CD1 PHE B 14 9.033 -0.817 -1.132 1.00 0.00 C ATOM 1359 CD2 PHE B 14 6.925 0.354 -1.531 1.00 0.00 C ATOM 1360 CE1 PHE B 14 9.590 0.367 -0.603 1.00 0.00 C ATOM 1361 CE2 PHE B 14 7.482 1.538 -1.003 1.00 0.00 C ATOM 1362 CZ PHE B 14 8.814 1.544 -0.538 1.00 0.00 C ATOM 0 H PHE B 14 6.207 -4.283 -2.809 1.00 0.00 H new ATOM 0 HA PHE B 14 7.577 -3.425 -0.536 1.00 0.00 H new ATOM 0 HB2 PHE B 14 7.824 -2.556 -2.852 1.00 0.00 H new ATOM 0 HB3 PHE B 14 6.223 -1.849 -2.763 1.00 0.00 H new ATOM 0 HD1 PHE B 14 9.629 -1.717 -1.182 1.00 0.00 H new ATOM 0 HD2 PHE B 14 5.905 0.351 -1.886 1.00 0.00 H new ATOM 0 HE1 PHE B 14 10.610 0.372 -0.248 1.00 0.00 H new ATOM 0 HE2 PHE B 14 6.889 2.439 -0.955 1.00 0.00 H new ATOM 0 HZ PHE B 14 9.240 2.450 -0.132 1.00 0.00 H new ATOM 1372 N LEU B 15 4.379 -2.522 -0.643 1.00 0.00 N ATOM 1373 CA LEU B 15 3.282 -2.006 0.158 1.00 0.00 C ATOM 1374 C LEU B 15 3.161 -2.831 1.441 1.00 0.00 C ATOM 1375 O LEU B 15 3.160 -2.234 2.527 1.00 0.00 O ATOM 1376 CB LEU B 15 1.994 -1.958 -0.666 1.00 0.00 C ATOM 1377 CG LEU B 15 1.950 -0.911 -1.782 1.00 0.00 C ATOM 1378 CD1 LEU B 15 0.511 -0.482 -2.074 1.00 0.00 C ATOM 1379 CD2 LEU B 15 2.848 0.282 -1.449 1.00 0.00 C ATOM 0 H LEU B 15 4.109 -2.820 -1.580 1.00 0.00 H new ATOM 0 HA LEU B 15 3.480 -0.977 0.458 1.00 0.00 H new ATOM 0 HB2 LEU B 15 1.833 -2.940 -1.110 1.00 0.00 H new ATOM 0 HB3 LEU B 15 1.160 -1.774 0.011 1.00 0.00 H new ATOM 0 HG LEU B 15 2.342 -1.364 -2.693 1.00 0.00 H new ATOM 0 HD11 LEU B 15 0.508 0.262 -2.870 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -0.071 -1.349 -2.385 1.00 0.00 H new ATOM 0 HD13 LEU B 15 0.070 -0.053 -1.175 1.00 0.00 H new ATOM 0 HD21 LEU B 15 2.799 1.011 -2.258 1.00 0.00 H new ATOM 0 HD22 LEU B 15 2.509 0.745 -0.522 1.00 0.00 H new ATOM 0 HD23 LEU B 15 3.876 -0.059 -1.330 1.00 0.00 H new ATOM 1391 N TRP B 16 3.062 -4.164 1.292 1.00 0.00 N ATOM 1392 CA TRP B 16 2.942 -5.059 2.431 1.00 0.00 C ATOM 1393 C TRP B 16 4.035 -4.730 3.450 1.00 0.00 C ATOM 1394 O TRP B 16 3.743 -4.748 4.654 1.00 0.00 O ATOM 1395 CB TRP B 16 2.976 -6.516 1.966 1.00 0.00 C ATOM 1396 CG TRP B 16 2.766 -7.533 3.090 1.00 0.00 C ATOM 1397 CD1 TRP B 16 1.636 -8.170 3.426 1.00 0.00 C ATOM 1398 CD2 TRP B 16 3.765 -8.007 4.017 1.00 0.00 C ATOM 1399 NE1 TRP B 16 1.833 -9.016 4.498 1.00 0.00 N ATOM 1400 CE2 TRP B 16 3.168 -8.914 4.869 1.00 0.00 C ATOM 1401 CE3 TRP B 16 5.128 -7.680 4.133 1.00 0.00 C ATOM 1402 CZ2 TRP B 16 3.858 -9.569 5.896 1.00 0.00 C ATOM 1403 CZ3 TRP B 16 5.803 -8.343 5.165 1.00 0.00 C ATOM 1404 CH2 TRP B 16 5.217 -9.259 6.030 1.00 0.00 C ATOM 0 H TRP B 16 3.064 -4.635 0.387 1.00 0.00 H new ATOM 0 HA TRP B 16 1.981 -4.916 2.926 1.00 0.00 H new ATOM 0 HB2 TRP B 16 2.206 -6.663 1.208 1.00 0.00 H new ATOM 0 HB3 TRP B 16 3.936 -6.712 1.487 1.00 0.00 H new ATOM 0 HD1 TRP B 16 0.690 -8.038 2.921 1.00 0.00 H new ATOM 0 HE1 TRP B 16 1.128 -9.608 4.937 1.00 0.00 H new ATOM 0 HE3 TRP B 16 5.615 -6.973 3.478 1.00 0.00 H new ATOM 0 HZ2 TRP B 16 3.368 -10.276 6.550 1.00 0.00 H new ATOM 0 HZ3 TRP B 16 6.853 -8.127 5.298 1.00 0.00 H new ATOM 0 HH2 TRP B 16 5.807 -9.730 6.802 1.00 0.00 H new ATOM 1415 N HIS B 17 5.252 -4.443 2.955 1.00 0.00 N ATOM 1416 CA HIS B 17 6.375 -4.115 3.816 1.00 0.00 C ATOM 1417 C HIS B 17 6.043 -2.859 4.624 1.00 0.00 C ATOM 1418 O HIS B 17 6.011 -2.944 5.861 1.00 0.00 O ATOM 1419 CB HIS B 17 7.665 -3.974 3.005 1.00 0.00 C ATOM 1420 CG HIS B 17 8.910 -3.842 3.849 1.00 0.00 C ATOM 1421 ND1 HIS B 17 10.064 -3.229 3.391 1.00 0.00 N ATOM 1422 CD2 HIS B 17 9.169 -4.247 5.125 1.00 0.00 C ATOM 1423 CE1 HIS B 17 10.971 -3.271 4.357 1.00 0.00 C ATOM 1424 NE2 HIS B 17 10.414 -3.903 5.430 1.00 0.00 N ATOM 0 H HIS B 17 5.471 -4.435 1.959 1.00 0.00 H new ATOM 0 HA HIS B 17 6.549 -4.929 4.520 1.00 0.00 H new ATOM 0 HB2 HIS B 17 7.770 -4.842 2.355 1.00 0.00 H new ATOM 0 HB3 HIS B 17 7.582 -3.100 2.359 1.00 0.00 H new ATOM 0 HD2 HIS B 17 8.478 -4.761 5.777 1.00 0.00 H new ATOM 0 HE1 HIS B 17 11.974 -2.875 4.304 1.00 0.00 H new ATOM 0 HE2 HIS B 17 10.878 -4.082 6.320 1.00 0.00 H new ATOM 1432 N VAL B 18 5.806 -1.736 3.922 1.00 0.00 N ATOM 1433 CA VAL B 18 5.480 -0.477 4.570 1.00 0.00 C ATOM 1434 C VAL B 18 4.368 -0.709 5.595 1.00 0.00 C ATOM 1435 O VAL B 18 4.449 -0.138 6.692 1.00 0.00 O ATOM 1436 CB VAL B 18 5.115 0.573 3.519 1.00 0.00 C ATOM 1437 CG1 VAL B 18 4.644 1.870 4.180 1.00 0.00 C ATOM 1438 CG2 VAL B 18 6.289 0.834 2.573 1.00 0.00 C ATOM 0 H VAL B 18 5.837 -1.687 2.904 1.00 0.00 H new ATOM 0 HA VAL B 18 6.344 -0.090 5.110 1.00 0.00 H new ATOM 0 HB VAL B 18 4.289 0.180 2.926 1.00 0.00 H new ATOM 0 HG11 VAL B 18 4.391 2.599 3.411 1.00 0.00 H new ATOM 0 HG12 VAL B 18 3.765 1.668 4.792 1.00 0.00 H new ATOM 0 HG13 VAL B 18 5.440 2.268 4.809 1.00 0.00 H new ATOM 0 HG21 VAL B 18 6.003 1.584 1.836 1.00 0.00 H new ATOM 0 HG22 VAL B 18 7.144 1.195 3.145 1.00 0.00 H new ATOM 0 HG23 VAL B 18 6.558 -0.091 2.063 1.00 0.00 H new ATOM 1448 N ARG B 19 3.368 -1.528 5.224 1.00 0.00 N ATOM 1449 CA ARG B 19 2.253 -1.831 6.105 1.00 0.00 C ATOM 1450 C ARG B 19 2.783 -2.465 7.392 1.00 0.00 C ATOM 1451 O ARG B 19 2.462 -1.956 8.476 1.00 0.00 O ATOM 1452 CB ARG B 19 1.257 -2.787 5.445 1.00 0.00 C ATOM 1453 CG ARG B 19 0.473 -2.083 4.336 1.00 0.00 C ATOM 1454 CD ARG B 19 -0.530 -3.037 3.684 1.00 0.00 C ATOM 1455 NE ARG B 19 -0.290 -3.103 2.225 1.00 0.00 N ATOM 1456 CZ ARG B 19 -1.258 -3.313 1.307 1.00 0.00 C ATOM 1457 NH1 ARG B 19 -2.521 -3.475 1.722 1.00 0.00 N ATOM 1458 NH2 ARG B 19 -0.959 -3.359 0.002 1.00 0.00 N ATOM 0 H ARG B 19 3.320 -1.988 4.315 1.00 0.00 H new ATOM 0 HA ARG B 19 1.733 -0.899 6.325 1.00 0.00 H new ATOM 0 HB2 ARG B 19 1.789 -3.644 5.031 1.00 0.00 H new ATOM 0 HB3 ARG B 19 0.566 -3.173 6.195 1.00 0.00 H new ATOM 0 HG2 ARG B 19 -0.053 -1.222 4.748 1.00 0.00 H new ATOM 0 HG3 ARG B 19 1.163 -1.704 3.582 1.00 0.00 H new ATOM 0 HD2 ARG B 19 -0.437 -4.031 4.122 1.00 0.00 H new ATOM 0 HD3 ARG B 19 -1.547 -2.697 3.879 1.00 0.00 H new ATOM 0 HE ARG B 19 0.667 -2.982 1.892 1.00 0.00 H new ATOM 0 HH11 ARG B 19 -2.739 -3.439 2.718 1.00 0.00 H new ATOM 0 HH12 ARG B 19 -3.265 -3.635 1.042 1.00 0.00 H new ATOM 0 HH21 ARG B 19 0.006 -3.235 -0.305 1.00 0.00 H new ATOM 0 HH22 ARG B 19 -1.696 -3.518 -0.685 1.00 0.00 H new ATOM 1472 N LYS B 20 3.571 -3.546 7.251 1.00 0.00 N ATOM 1473 CA LYS B 20 4.137 -4.240 8.395 1.00 0.00 C ATOM 1474 C LYS B 20 4.851 -3.231 9.296 1.00 0.00 C ATOM 1475 O LYS B 20 4.857 -3.434 10.519 1.00 0.00 O ATOM 1476 CB LYS B 20 5.032 -5.393 7.932 1.00 0.00 C ATOM 1477 CG LYS B 20 5.639 -6.129 9.128 1.00 0.00 C ATOM 1478 CD LYS B 20 4.685 -7.204 9.652 1.00 0.00 C ATOM 1479 CE LYS B 20 4.846 -7.391 11.162 1.00 0.00 C ATOM 1480 NZ LYS B 20 5.806 -8.470 11.449 1.00 0.00 N ATOM 0 H LYS B 20 3.824 -3.950 6.349 1.00 0.00 H new ATOM 0 HA LYS B 20 3.348 -4.698 8.992 1.00 0.00 H new ATOM 0 HB2 LYS B 20 4.451 -6.090 7.328 1.00 0.00 H new ATOM 0 HB3 LYS B 20 5.828 -5.007 7.295 1.00 0.00 H new ATOM 0 HG2 LYS B 20 6.584 -6.587 8.836 1.00 0.00 H new ATOM 0 HG3 LYS B 20 5.862 -5.417 9.923 1.00 0.00 H new ATOM 0 HD2 LYS B 20 3.656 -6.925 9.424 1.00 0.00 H new ATOM 0 HD3 LYS B 20 4.879 -8.148 9.142 1.00 0.00 H new ATOM 0 HE2 LYS B 20 5.189 -6.461 11.615 1.00 0.00 H new ATOM 0 HE3 LYS B 20 3.881 -7.626 11.610 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 5.903 -8.583 12.478 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 5.463 -9.360 11.033 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 6.731 -8.230 11.038 1.00 0.00 H new ATOM 1494 N GLN B 21 5.429 -2.182 8.685 1.00 0.00 N ATOM 1495 CA GLN B 21 6.138 -1.153 9.428 1.00 0.00 C ATOM 1496 C GLN B 21 5.129 -0.303 10.203 1.00 0.00 C ATOM 1497 O GLN B 21 5.446 0.107 11.330 1.00 0.00 O ATOM 1498 CB GLN B 21 6.994 -0.283 8.505 1.00 0.00 C ATOM 1499 CG GLN B 21 8.434 -0.797 8.447 1.00 0.00 C ATOM 1500 CD GLN B 21 8.966 -0.774 7.013 1.00 0.00 C ATOM 1501 OE1 GLN B 21 10.021 -0.233 6.723 1.00 0.00 O ATOM 1502 NE2 GLN B 21 8.180 -1.389 6.134 1.00 0.00 N ATOM 0 H GLN B 21 5.413 -2.034 7.676 1.00 0.00 H new ATOM 0 HA GLN B 21 6.818 -1.634 10.131 1.00 0.00 H new ATOM 0 HB2 GLN B 21 6.565 -0.278 7.503 1.00 0.00 H new ATOM 0 HB3 GLN B 21 6.986 0.748 8.860 1.00 0.00 H new ATOM 0 HG2 GLN B 21 9.069 -0.182 9.084 1.00 0.00 H new ATOM 0 HG3 GLN B 21 8.477 -1.813 8.839 1.00 0.00 H new ATOM 0 HE21 GLN B 21 7.310 -1.822 6.443 1.00 0.00 H new ATOM 0 HE22 GLN B 21 8.447 -1.428 5.150 1.00 0.00 H new ATOM 1511 N VAL B 22 3.954 -0.060 9.596 1.00 0.00 N ATOM 1512 CA VAL B 22 2.912 0.733 10.226 1.00 0.00 C ATOM 1513 C VAL B 22 2.383 -0.010 11.453 1.00 0.00 C ATOM 1514 O VAL B 22 2.089 0.649 12.461 1.00 0.00 O ATOM 1515 CB VAL B 22 1.818 1.062 9.208 1.00 0.00 C ATOM 1516 CG1 VAL B 22 0.591 1.663 9.896 1.00 0.00 C ATOM 1517 CG2 VAL B 22 2.347 1.995 8.116 1.00 0.00 C ATOM 0 H VAL B 22 3.713 -0.407 8.668 1.00 0.00 H new ATOM 0 HA VAL B 22 3.313 1.686 10.572 1.00 0.00 H new ATOM 0 HB VAL B 22 1.512 0.130 8.733 1.00 0.00 H new ATOM 0 HG11 VAL B 22 -0.171 1.888 9.150 1.00 0.00 H new ATOM 0 HG12 VAL B 22 0.193 0.950 10.618 1.00 0.00 H new ATOM 0 HG13 VAL B 22 0.876 2.580 10.411 1.00 0.00 H new ATOM 0 HG21 VAL B 22 1.549 2.213 7.406 1.00 0.00 H new ATOM 0 HG22 VAL B 22 2.694 2.924 8.568 1.00 0.00 H new ATOM 0 HG23 VAL B 22 3.175 1.513 7.595 1.00 0.00 H new ATOM 1527 N VAL B 23 2.273 -1.347 11.347 1.00 0.00 N ATOM 1528 CA VAL B 23 1.783 -2.169 12.440 1.00 0.00 C ATOM 1529 C VAL B 23 2.844 -2.230 13.541 1.00 0.00 C ATOM 1530 O VAL B 23 2.474 -2.152 14.722 1.00 0.00 O ATOM 1531 CB VAL B 23 1.383 -3.550 11.918 1.00 0.00 C ATOM 1532 CG1 VAL B 23 1.010 -4.485 13.071 1.00 0.00 C ATOM 1533 CG2 VAL B 23 0.240 -3.444 10.907 1.00 0.00 C ATOM 0 H VAL B 23 2.521 -1.871 10.508 1.00 0.00 H new ATOM 0 HA VAL B 23 0.886 -1.729 12.876 1.00 0.00 H new ATOM 0 HB VAL B 23 2.245 -3.977 11.406 1.00 0.00 H new ATOM 0 HG11 VAL B 23 0.730 -5.460 12.673 1.00 0.00 H new ATOM 0 HG12 VAL B 23 1.864 -4.598 13.739 1.00 0.00 H new ATOM 0 HG13 VAL B 23 0.170 -4.064 13.624 1.00 0.00 H new ATOM 0 HG21 VAL B 23 -0.025 -4.440 10.552 1.00 0.00 H new ATOM 0 HG22 VAL B 23 -0.627 -2.987 11.384 1.00 0.00 H new ATOM 0 HG23 VAL B 23 0.556 -2.830 10.064 1.00 0.00 H new ATOM 1543 N ASP B 24 4.121 -2.367 13.140 1.00 0.00 N ATOM 1544 CA ASP B 24 5.222 -2.438 14.085 1.00 0.00 C ATOM 1545 C ASP B 24 5.316 -1.117 14.851 1.00 0.00 C ATOM 1546 O ASP B 24 5.956 -1.095 15.913 1.00 0.00 O ATOM 1547 CB ASP B 24 6.553 -2.663 13.365 1.00 0.00 C ATOM 1548 CG ASP B 24 6.901 -4.127 13.093 1.00 0.00 C ATOM 1549 OD1 ASP B 24 7.471 -4.743 14.073 1.00 0.00 O ATOM 1550 OD2 ASP B 24 6.641 -4.653 12.000 1.00 0.00 O ATOM 0 H ASP B 24 4.404 -2.430 12.162 1.00 0.00 H new ATOM 0 HA ASP B 24 5.033 -3.272 14.761 1.00 0.00 H new ATOM 0 HB2 ASP B 24 6.530 -2.128 12.416 1.00 0.00 H new ATOM 0 HB3 ASP B 24 7.351 -2.220 13.961 1.00 0.00 H new ATOM 1555 N GLN B 25 4.688 -0.059 14.308 1.00 0.00 N ATOM 1556 CA GLN B 25 4.702 1.251 14.936 1.00 0.00 C ATOM 1557 C GLN B 25 3.602 1.314 15.997 1.00 0.00 C ATOM 1558 O GLN B 25 3.444 2.374 16.621 1.00 0.00 O ATOM 1559 CB GLN B 25 4.534 2.370 13.906 1.00 0.00 C ATOM 1560 CG GLN B 25 5.848 2.637 13.168 1.00 0.00 C ATOM 1561 CD GLN B 25 6.198 4.126 13.193 1.00 0.00 C ATOM 1562 OE1 GLN B 25 5.339 4.992 13.195 1.00 0.00 O ATOM 1563 NE2 GLN B 25 7.504 4.374 13.213 1.00 0.00 N ATOM 0 H GLN B 25 4.166 -0.098 13.433 1.00 0.00 H new ATOM 0 HA GLN B 25 5.671 1.400 15.412 1.00 0.00 H new ATOM 0 HB2 GLN B 25 3.759 2.097 13.190 1.00 0.00 H new ATOM 0 HB3 GLN B 25 4.201 3.281 14.404 1.00 0.00 H new ATOM 0 HG2 GLN B 25 6.652 2.063 13.630 1.00 0.00 H new ATOM 0 HG3 GLN B 25 5.765 2.296 12.136 1.00 0.00 H new ATOM 0 HE21 GLN B 25 8.170 3.601 13.210 1.00 0.00 H new ATOM 0 HE22 GLN B 25 7.840 5.337 13.231 1.00 0.00 H new ATOM 1572 N GLU B 26 2.874 0.198 16.178 1.00 0.00 N ATOM 1573 CA GLU B 26 1.801 0.127 17.155 1.00 0.00 C ATOM 1574 C GLU B 26 0.708 1.129 16.778 1.00 0.00 C ATOM 1575 O GLU B 26 0.300 1.913 17.648 1.00 0.00 O ATOM 1576 CB GLU B 26 2.314 0.384 18.573 1.00 0.00 C ATOM 1577 CG GLU B 26 3.522 -0.502 18.888 1.00 0.00 C ATOM 1578 CD GLU B 26 3.533 -0.909 20.363 1.00 0.00 C ATOM 1579 OE1 GLU B 26 3.178 0.017 21.187 1.00 0.00 O ATOM 1580 OE2 GLU B 26 3.869 -2.058 20.686 1.00 0.00 O ATOM 0 H GLU B 26 3.019 -0.664 15.653 1.00 0.00 H new ATOM 0 HA GLU B 26 1.385 -0.881 17.146 1.00 0.00 H new ATOM 0 HB2 GLU B 26 2.590 1.433 18.679 1.00 0.00 H new ATOM 0 HB3 GLU B 26 1.518 0.190 19.292 1.00 0.00 H new ATOM 0 HG2 GLU B 26 3.497 -1.393 18.261 1.00 0.00 H new ATOM 0 HG3 GLU B 26 4.442 0.031 18.647 1.00 0.00 H new ATOM 1587 N LEU B 27 0.262 1.086 15.510 1.00 0.00 N ATOM 1588 CA LEU B 27 -0.773 1.983 15.026 1.00 0.00 C ATOM 1589 C LEU B 27 -1.814 1.179 14.244 1.00 0.00 C ATOM 1590 O LEU B 27 -2.482 1.764 13.378 1.00 0.00 O ATOM 1591 CB LEU B 27 -0.156 3.132 14.226 1.00 0.00 C ATOM 1592 CG LEU B 27 0.883 3.980 14.963 1.00 0.00 C ATOM 1593 CD1 LEU B 27 1.927 4.534 13.992 1.00 0.00 C ATOM 1594 CD2 LEU B 27 0.209 5.088 15.775 1.00 0.00 C ATOM 0 H LEU B 27 0.611 0.433 14.809 1.00 0.00 H new ATOM 0 HA LEU B 27 -1.293 2.451 15.862 1.00 0.00 H new ATOM 0 HB2 LEU B 27 0.310 2.717 13.332 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -0.960 3.788 13.891 1.00 0.00 H new ATOM 0 HG LEU B 27 1.410 3.338 15.669 1.00 0.00 H new ATOM 0 HD11 LEU B 27 2.653 5.133 14.541 1.00 0.00 H new ATOM 0 HD12 LEU B 27 2.438 3.708 13.497 1.00 0.00 H new ATOM 0 HD13 LEU B 27 1.435 5.156 13.245 1.00 0.00 H new ATOM 0 HD21 LEU B 27 0.969 5.676 16.289 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -0.359 5.735 15.106 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -0.464 4.644 16.509 1.00 0.00 H new ATOM 1606 N GLY B 28 -1.930 -0.124 14.558 1.00 0.00 N ATOM 1607 CA GLY B 28 -2.880 -0.996 13.889 1.00 0.00 C ATOM 1608 C GLY B 28 -4.228 -0.921 14.610 1.00 0.00 C ATOM 1609 O GLY B 28 -4.240 -0.992 15.847 1.00 0.00 O ATOM 0 H GLY B 28 -1.370 -0.586 15.275 1.00 0.00 H new ATOM 0 HA2 GLY B 28 -2.995 -0.697 12.847 1.00 0.00 H new ATOM 0 HA3 GLY B 28 -2.512 -2.022 13.888 1.00 0.00 H new ATOM 1613 N ASP B 29 -5.318 -0.781 13.834 1.00 0.00 N ATOM 1614 CA ASP B 29 -6.656 -0.698 14.394 1.00 0.00 C ATOM 1615 C ASP B 29 -7.205 -2.111 14.604 1.00 0.00 C ATOM 1616 O ASP B 29 -7.467 -2.477 15.759 1.00 0.00 O ATOM 1617 CB ASP B 29 -7.604 0.042 13.449 1.00 0.00 C ATOM 1618 CG ASP B 29 -7.093 0.204 12.016 1.00 0.00 C ATOM 1619 OD1 ASP B 29 -6.408 -0.680 11.479 1.00 0.00 O ATOM 1620 OD2 ASP B 29 -7.429 1.307 11.438 1.00 0.00 O ATOM 0 H ASP B 29 -5.286 -0.724 12.816 1.00 0.00 H new ATOM 0 HA ASP B 29 -6.593 -0.157 15.338 1.00 0.00 H new ATOM 0 HB2 ASP B 29 -8.554 -0.491 13.422 1.00 0.00 H new ATOM 0 HB3 ASP B 29 -7.805 1.031 13.861 1.00 0.00 H new ATOM 1625 N ALA B 30 -7.366 -2.864 13.501 1.00 0.00 N ATOM 1626 CA ALA B 30 -7.879 -4.222 13.564 1.00 0.00 C ATOM 1627 C ALA B 30 -8.112 -4.741 12.143 1.00 0.00 C ATOM 1628 O ALA B 30 -7.743 -5.892 11.869 1.00 0.00 O ATOM 1629 CB ALA B 30 -9.247 -4.224 14.251 1.00 0.00 C ATOM 0 H ALA B 30 -7.144 -2.543 12.558 1.00 0.00 H new ATOM 0 HA ALA B 30 -7.161 -4.838 14.106 1.00 0.00 H new ATOM 0 HB1 ALA B 30 -9.630 -5.244 14.297 1.00 0.00 H new ATOM 0 HB2 ALA B 30 -9.147 -3.828 15.262 1.00 0.00 H new ATOM 0 HB3 ALA B 30 -9.940 -3.602 13.684 1.00 0.00 H new ATOM 1635 N PRO B 31 -8.709 -3.896 11.284 1.00 0.00 N ATOM 1636 CA PRO B 31 -9.001 -4.233 9.901 1.00 0.00 C ATOM 1637 C PRO B 31 -7.730 -4.209 9.050 1.00 0.00 C ATOM 1638 O PRO B 31 -7.583 -5.084 8.184 1.00 0.00 O ATOM 1639 CB PRO B 31 -10.032 -3.209 9.456 1.00 0.00 C ATOM 1640 CG PRO B 31 -9.935 -2.061 10.448 1.00 0.00 C ATOM 1641 CD PRO B 31 -9.130 -2.545 11.643 1.00 0.00 C ATOM 0 HA PRO B 31 -9.389 -5.245 9.788 1.00 0.00 H new ATOM 0 HB2 PRO B 31 -9.829 -2.866 8.441 1.00 0.00 H new ATOM 0 HB3 PRO B 31 -11.034 -3.639 9.453 1.00 0.00 H new ATOM 0 HG2 PRO B 31 -9.454 -1.198 9.988 1.00 0.00 H new ATOM 0 HG3 PRO B 31 -10.929 -1.742 10.761 1.00 0.00 H new ATOM 0 HD2 PRO B 31 -8.272 -1.899 11.830 1.00 0.00 H new ATOM 0 HD3 PRO B 31 -9.732 -2.546 12.552 1.00 0.00 H new ATOM 1649 N PHE B 32 -6.850 -3.225 9.309 1.00 0.00 N ATOM 1650 CA PHE B 32 -5.605 -3.092 8.572 1.00 0.00 C ATOM 1651 C PHE B 32 -4.727 -4.317 8.837 1.00 0.00 C ATOM 1652 O PHE B 32 -4.154 -4.850 7.876 1.00 0.00 O ATOM 1653 CB PHE B 32 -4.889 -1.800 9.014 1.00 0.00 C ATOM 1654 CG PHE B 32 -3.421 -1.721 8.619 1.00 0.00 C ATOM 1655 CD1 PHE B 32 -3.015 -2.052 7.305 1.00 0.00 C ATOM 1656 CD2 PHE B 32 -2.452 -1.321 9.568 1.00 0.00 C ATOM 1657 CE1 PHE B 32 -1.653 -1.981 6.943 1.00 0.00 C ATOM 1658 CE2 PHE B 32 -1.090 -1.250 9.206 1.00 0.00 C ATOM 1659 CZ PHE B 32 -0.690 -1.580 7.894 1.00 0.00 C ATOM 0 H PHE B 32 -6.989 -2.514 10.027 1.00 0.00 H new ATOM 0 HA PHE B 32 -5.805 -3.032 7.502 1.00 0.00 H new ATOM 0 HB2 PHE B 32 -5.413 -0.945 8.586 1.00 0.00 H new ATOM 0 HB3 PHE B 32 -4.965 -1.711 10.098 1.00 0.00 H new ATOM 0 HD1 PHE B 32 -3.750 -2.360 6.576 1.00 0.00 H new ATOM 0 HD2 PHE B 32 -2.755 -1.069 10.573 1.00 0.00 H new ATOM 0 HE1 PHE B 32 -1.347 -2.233 5.938 1.00 0.00 H new ATOM 0 HE2 PHE B 32 -0.353 -0.943 9.934 1.00 0.00 H new ATOM 0 HZ PHE B 32 0.353 -1.526 7.617 1.00 0.00 H new ATOM 1669 N LEU B 33 -4.641 -4.731 10.114 1.00 0.00 N ATOM 1670 CA LEU B 33 -3.840 -5.881 10.498 1.00 0.00 C ATOM 1671 C LEU B 33 -4.431 -7.142 9.865 1.00 0.00 C ATOM 1672 O LEU B 33 -3.670 -7.909 9.257 1.00 0.00 O ATOM 1673 CB LEU B 33 -3.712 -5.960 12.021 1.00 0.00 C ATOM 1674 CG LEU B 33 -2.703 -6.978 12.557 1.00 0.00 C ATOM 1675 CD1 LEU B 33 -1.464 -7.045 11.662 1.00 0.00 C ATOM 1676 CD2 LEU B 33 -2.343 -6.678 14.013 1.00 0.00 C ATOM 0 H LEU B 33 -5.122 -4.277 10.891 1.00 0.00 H new ATOM 0 HA LEU B 33 -2.823 -5.780 10.120 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -3.436 -4.974 12.394 1.00 0.00 H new ATOM 0 HB3 LEU B 33 -4.692 -6.196 12.436 1.00 0.00 H new ATOM 0 HG LEU B 33 -3.168 -7.964 12.537 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -0.763 -7.776 12.065 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -1.758 -7.341 10.655 1.00 0.00 H new ATOM 0 HD13 LEU B 33 -0.987 -6.066 11.627 1.00 0.00 H new ATOM 0 HD21 LEU B 33 -1.625 -7.416 14.370 1.00 0.00 H new ATOM 0 HD22 LEU B 33 -1.905 -5.682 14.082 1.00 0.00 H new ATOM 0 HD23 LEU B 33 -3.243 -6.722 14.627 1.00 0.00 H new ATOM 1688 N ASP B 34 -5.754 -7.329 10.016 1.00 0.00 N ATOM 1689 CA ASP B 34 -6.437 -8.486 9.463 1.00 0.00 C ATOM 1690 C ASP B 34 -6.148 -8.574 7.963 1.00 0.00 C ATOM 1691 O ASP B 34 -5.864 -9.681 7.481 1.00 0.00 O ATOM 1692 CB ASP B 34 -7.952 -8.372 9.647 1.00 0.00 C ATOM 1693 CG ASP B 34 -8.758 -9.563 9.125 1.00 0.00 C ATOM 1694 OD1 ASP B 34 -8.059 -10.605 8.824 1.00 0.00 O ATOM 1695 OD2 ASP B 34 -9.991 -9.499 9.013 1.00 0.00 O ATOM 0 H ASP B 34 -6.363 -6.685 10.520 1.00 0.00 H new ATOM 0 HA ASP B 34 -6.076 -9.372 9.985 1.00 0.00 H new ATOM 0 HB2 ASP B 34 -8.165 -8.245 10.708 1.00 0.00 H new ATOM 0 HB3 ASP B 34 -8.297 -7.470 9.142 1.00 0.00 H new ATOM 1700 N ARG B 35 -6.225 -7.426 7.267 1.00 0.00 N ATOM 1701 CA ARG B 35 -5.973 -7.375 5.836 1.00 0.00 C ATOM 1702 C ARG B 35 -4.515 -7.751 5.566 1.00 0.00 C ATOM 1703 O ARG B 35 -4.263 -8.465 4.585 1.00 0.00 O ATOM 1704 CB ARG B 35 -6.249 -5.983 5.265 1.00 0.00 C ATOM 1705 CG ARG B 35 -7.749 -5.682 5.252 1.00 0.00 C ATOM 1706 CD ARG B 35 -8.006 -4.174 5.296 1.00 0.00 C ATOM 1707 NE ARG B 35 -6.840 -3.446 4.749 1.00 0.00 N ATOM 1708 CZ ARG B 35 -6.862 -2.734 3.602 1.00 0.00 C ATOM 1709 NH1 ARG B 35 -8.000 -2.671 2.898 1.00 0.00 N ATOM 1710 NH2 ARG B 35 -5.761 -2.101 3.174 1.00 0.00 N ATOM 0 H ARG B 35 -6.461 -6.525 7.683 1.00 0.00 H new ATOM 0 HA ARG B 35 -6.645 -8.081 5.349 1.00 0.00 H new ATOM 0 HB2 ARG B 35 -5.729 -5.232 5.860 1.00 0.00 H new ATOM 0 HB3 ARG B 35 -5.853 -5.917 4.252 1.00 0.00 H new ATOM 0 HG2 ARG B 35 -8.201 -6.106 4.355 1.00 0.00 H new ATOM 0 HG3 ARG B 35 -8.227 -6.161 6.106 1.00 0.00 H new ATOM 0 HD2 ARG B 35 -8.899 -3.932 4.720 1.00 0.00 H new ATOM 0 HD3 ARG B 35 -8.193 -3.858 6.322 1.00 0.00 H new ATOM 0 HE ARG B 35 -5.965 -3.484 5.271 1.00 0.00 H new ATOM 0 HH11 ARG B 35 -8.833 -3.157 3.231 1.00 0.00 H new ATOM 0 HH12 ARG B 35 -8.033 -2.137 2.029 1.00 0.00 H new ATOM 0 HH21 ARG B 35 -4.898 -2.155 3.716 1.00 0.00 H new ATOM 0 HH22 ARG B 35 -5.786 -1.565 2.306 1.00 0.00 H new ATOM 1724 N LEU B 36 -3.600 -7.270 6.426 1.00 0.00 N ATOM 1725 CA LEU B 36 -2.182 -7.553 6.280 1.00 0.00 C ATOM 1726 C LEU B 36 -1.958 -9.065 6.357 1.00 0.00 C ATOM 1727 O LEU B 36 -1.169 -9.586 5.556 1.00 0.00 O ATOM 1728 CB LEU B 36 -1.368 -6.758 7.302 1.00 0.00 C ATOM 1729 CG LEU B 36 0.150 -6.936 7.236 1.00 0.00 C ATOM 1730 CD1 LEU B 36 0.699 -6.468 5.887 1.00 0.00 C ATOM 1731 CD2 LEU B 36 0.836 -6.234 8.410 1.00 0.00 C ATOM 0 H LEU B 36 -3.829 -6.683 7.228 1.00 0.00 H new ATOM 0 HA LEU B 36 -1.827 -7.227 5.302 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -1.596 -5.700 7.174 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -1.703 -7.038 8.301 1.00 0.00 H new ATOM 0 HG LEU B 36 0.373 -7.999 7.322 1.00 0.00 H new ATOM 0 HD11 LEU B 36 1.780 -6.605 5.867 1.00 0.00 H new ATOM 0 HD12 LEU B 36 0.244 -7.052 5.087 1.00 0.00 H new ATOM 0 HD13 LEU B 36 0.465 -5.413 5.745 1.00 0.00 H new ATOM 0 HD21 LEU B 36 1.914 -6.376 8.339 1.00 0.00 H new ATOM 0 HD22 LEU B 36 0.608 -5.169 8.381 1.00 0.00 H new ATOM 0 HD23 LEU B 36 0.475 -6.657 9.348 1.00 0.00 H new ATOM 1743 N ARG B 37 -2.646 -9.728 7.305 1.00 0.00 N ATOM 1744 CA ARG B 37 -2.522 -11.164 7.482 1.00 0.00 C ATOM 1745 C ARG B 37 -3.007 -11.874 6.217 1.00 0.00 C ATOM 1746 O ARG B 37 -2.229 -12.648 5.640 1.00 0.00 O ATOM 1747 CB ARG B 37 -3.339 -11.656 8.679 1.00 0.00 C ATOM 1748 CG ARG B 37 -2.673 -11.260 9.998 1.00 0.00 C ATOM 1749 CD ARG B 37 -3.719 -10.986 11.080 1.00 0.00 C ATOM 1750 NE ARG B 37 -4.445 -12.233 11.411 1.00 0.00 N ATOM 1751 CZ ARG B 37 -5.684 -12.268 11.944 1.00 0.00 C ATOM 1752 NH1 ARG B 37 -6.316 -11.114 12.198 1.00 0.00 N ATOM 1753 NH2 ARG B 37 -6.275 -13.441 12.215 1.00 0.00 N ATOM 0 H ARG B 37 -3.292 -9.280 7.955 1.00 0.00 H new ATOM 0 HA ARG B 37 -1.473 -11.392 7.669 1.00 0.00 H new ATOM 0 HB2 ARG B 37 -4.344 -11.237 8.635 1.00 0.00 H new ATOM 0 HB3 ARG B 37 -3.444 -12.740 8.631 1.00 0.00 H new ATOM 0 HG2 ARG B 37 -2.006 -12.057 10.326 1.00 0.00 H new ATOM 0 HG3 ARG B 37 -2.059 -10.372 9.847 1.00 0.00 H new ATOM 0 HD2 ARG B 37 -3.235 -10.589 11.973 1.00 0.00 H new ATOM 0 HD3 ARG B 37 -4.421 -10.228 10.734 1.00 0.00 H new ATOM 0 HE ARG B 37 -3.979 -13.121 11.224 1.00 0.00 H new ATOM 0 HH11 ARG B 37 -5.860 -10.226 11.988 1.00 0.00 H new ATOM 0 HH12 ARG B 37 -7.253 -11.124 12.601 1.00 0.00 H new ATOM 0 HH21 ARG B 37 -5.788 -14.315 12.018 1.00 0.00 H new ATOM 0 HH22 ARG B 37 -7.212 -13.459 12.618 1.00 0.00 H new ATOM 1767 N ARG B 38 -4.262 -11.602 5.816 1.00 0.00 N ATOM 1768 CA ARG B 38 -4.841 -12.210 4.630 1.00 0.00 C ATOM 1769 C ARG B 38 -3.966 -11.886 3.417 1.00 0.00 C ATOM 1770 O ARG B 38 -3.915 -12.708 2.491 1.00 0.00 O ATOM 1771 CB ARG B 38 -6.262 -11.705 4.375 1.00 0.00 C ATOM 1772 CG ARG B 38 -7.137 -11.877 5.618 1.00 0.00 C ATOM 1773 CD ARG B 38 -8.533 -12.378 5.241 1.00 0.00 C ATOM 1774 NE ARG B 38 -8.716 -13.768 5.716 1.00 0.00 N ATOM 1775 CZ ARG B 38 -9.918 -14.327 5.974 1.00 0.00 C ATOM 1776 NH1 ARG B 38 -11.026 -13.596 5.796 1.00 0.00 N ATOM 1777 NH2 ARG B 38 -10.000 -15.594 6.401 1.00 0.00 N ATOM 0 H ARG B 38 -4.887 -10.962 6.306 1.00 0.00 H new ATOM 0 HA ARG B 38 -4.887 -13.287 4.791 1.00 0.00 H new ATOM 0 HB2 ARG B 38 -6.232 -10.653 4.090 1.00 0.00 H new ATOM 0 HB3 ARG B 38 -6.701 -12.250 3.539 1.00 0.00 H new ATOM 0 HG2 ARG B 38 -6.667 -12.582 6.303 1.00 0.00 H new ATOM 0 HG3 ARG B 38 -7.218 -10.926 6.145 1.00 0.00 H new ATOM 0 HD2 ARG B 38 -9.292 -11.731 5.681 1.00 0.00 H new ATOM 0 HD3 ARG B 38 -8.665 -12.334 4.160 1.00 0.00 H new ATOM 0 HE ARG B 38 -7.883 -14.339 5.857 1.00 0.00 H new ATOM 0 HH11 ARG B 38 -10.954 -12.632 5.470 1.00 0.00 H new ATOM 0 HH12 ARG B 38 -11.942 -14.003 5.986 1.00 0.00 H new ATOM 0 HH21 ARG B 38 -9.151 -16.144 6.533 1.00 0.00 H new ATOM 0 HH22 ARG B 38 -10.911 -16.009 6.594 1.00 0.00 H new ATOM 1791 N ASP B 39 -3.306 -10.714 3.446 1.00 0.00 N ATOM 1792 CA ASP B 39 -2.443 -10.289 2.357 1.00 0.00 C ATOM 1793 C ASP B 39 -1.176 -11.146 2.352 1.00 0.00 C ATOM 1794 O ASP B 39 -0.678 -11.456 1.260 1.00 0.00 O ATOM 1795 CB ASP B 39 -2.025 -8.827 2.525 1.00 0.00 C ATOM 1796 CG ASP B 39 -2.968 -7.807 1.884 1.00 0.00 C ATOM 1797 OD1 ASP B 39 -4.178 -8.047 1.759 1.00 0.00 O ATOM 1798 OD2 ASP B 39 -2.406 -6.712 1.499 1.00 0.00 O ATOM 0 H ASP B 39 -3.362 -10.051 4.219 1.00 0.00 H new ATOM 0 HA ASP B 39 -2.996 -10.401 1.424 1.00 0.00 H new ATOM 0 HB2 ASP B 39 -1.946 -8.607 3.590 1.00 0.00 H new ATOM 0 HB3 ASP B 39 -1.030 -8.698 2.098 1.00 0.00 H new ATOM 1803 N GLN B 40 -0.688 -11.506 3.553 1.00 0.00 N ATOM 1804 CA GLN B 40 0.509 -12.320 3.685 1.00 0.00 C ATOM 1805 C GLN B 40 0.255 -13.697 3.069 1.00 0.00 C ATOM 1806 O GLN B 40 1.099 -14.158 2.286 1.00 0.00 O ATOM 1807 CB GLN B 40 0.945 -12.444 5.146 1.00 0.00 C ATOM 1808 CG GLN B 40 2.195 -13.318 5.273 1.00 0.00 C ATOM 1809 CD GLN B 40 3.467 -12.480 5.132 1.00 0.00 C ATOM 1810 OE1 GLN B 40 3.635 -11.951 3.924 1.00 0.00 O flip ATOM 1811 NE2 GLN B 40 4.244 -12.324 6.060 1.00 0.00 N flip ATOM 0 H GLN B 40 -1.113 -11.240 4.441 1.00 0.00 H new ATOM 0 HA GLN B 40 1.324 -11.832 3.151 1.00 0.00 H new ATOM 0 HB2 GLN B 40 1.146 -11.454 5.554 1.00 0.00 H new ATOM 0 HB3 GLN B 40 0.135 -12.873 5.736 1.00 0.00 H new ATOM 0 HG2 GLN B 40 2.193 -13.823 6.239 1.00 0.00 H new ATOM 0 HG3 GLN B 40 2.180 -14.094 4.508 1.00 0.00 H new ATOM 0 HE21 GLN B 40 4.054 -12.759 6.963 1.00 0.00 H new ATOM 0 HE22 GLN B 40 5.083 -11.758 5.933 1.00 0.00 H new ATOM 1820 N LYS B 41 -0.883 -14.317 3.428 1.00 0.00 N ATOM 1821 CA LYS B 41 -1.241 -15.628 2.914 1.00 0.00 C ATOM 1822 C LYS B 41 -1.299 -15.574 1.387 1.00 0.00 C ATOM 1823 O LYS B 41 -0.793 -16.506 0.744 1.00 0.00 O ATOM 1824 CB LYS B 41 -2.536 -16.122 3.562 1.00 0.00 C ATOM 1825 CG LYS B 41 -2.263 -16.735 4.937 1.00 0.00 C ATOM 1826 CD LYS B 41 -2.840 -18.149 5.031 1.00 0.00 C ATOM 1827 CE LYS B 41 -2.008 -19.137 4.210 1.00 0.00 C ATOM 1828 NZ LYS B 41 -1.821 -20.395 4.952 1.00 0.00 N ATOM 0 H LYS B 41 -1.565 -13.920 4.075 1.00 0.00 H new ATOM 0 HA LYS B 41 -0.480 -16.362 3.178 1.00 0.00 H new ATOM 0 HB2 LYS B 41 -3.236 -15.292 3.662 1.00 0.00 H new ATOM 0 HB3 LYS B 41 -3.010 -16.862 2.917 1.00 0.00 H new ATOM 0 HG2 LYS B 41 -1.189 -16.764 5.120 1.00 0.00 H new ATOM 0 HG3 LYS B 41 -2.701 -16.107 5.713 1.00 0.00 H new ATOM 0 HD2 LYS B 41 -2.864 -18.467 6.073 1.00 0.00 H new ATOM 0 HD3 LYS B 41 -3.870 -18.150 4.673 1.00 0.00 H new ATOM 0 HE2 LYS B 41 -2.504 -19.338 3.261 1.00 0.00 H new ATOM 0 HE3 LYS B 41 -1.038 -18.698 3.976 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 -1.254 -21.054 4.381 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 -1.328 -20.200 5.847 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 -2.748 -20.820 5.153 1.00 0.00 H new ATOM 1842 N SER B 42 -1.905 -14.502 0.844 1.00 0.00 N ATOM 1843 CA SER B 42 -2.026 -14.332 -0.594 1.00 0.00 C ATOM 1844 C SER B 42 -0.639 -14.091 -1.193 1.00 0.00 C ATOM 1845 O SER B 42 -0.372 -14.607 -2.288 1.00 0.00 O ATOM 1846 CB SER B 42 -2.964 -13.175 -0.943 1.00 0.00 C ATOM 1847 OG SER B 42 -3.239 -13.114 -2.340 1.00 0.00 O ATOM 0 H SER B 42 -2.316 -13.745 1.391 1.00 0.00 H new ATOM 0 HA SER B 42 -2.456 -15.241 -1.016 1.00 0.00 H new ATOM 0 HB2 SER B 42 -3.899 -13.288 -0.394 1.00 0.00 H new ATOM 0 HB3 SER B 42 -2.516 -12.235 -0.620 1.00 0.00 H new ATOM 0 HG SER B 42 -3.842 -12.363 -2.522 1.00 0.00 H new ATOM 1853 N LEU B 43 0.201 -13.323 -0.476 1.00 0.00 N ATOM 1854 CA LEU B 43 1.546 -13.019 -0.934 1.00 0.00 C ATOM 1855 C LEU B 43 2.363 -14.311 -1.001 1.00 0.00 C ATOM 1856 O LEU B 43 3.175 -14.448 -1.928 1.00 0.00 O ATOM 1857 CB LEU B 43 2.179 -11.936 -0.057 1.00 0.00 C ATOM 1858 CG LEU B 43 2.302 -10.548 -0.689 1.00 0.00 C ATOM 1859 CD1 LEU B 43 1.016 -9.743 -0.499 1.00 0.00 C ATOM 1860 CD2 LEU B 43 3.527 -9.807 -0.150 1.00 0.00 C ATOM 0 H LEU B 43 -0.040 -12.906 0.423 1.00 0.00 H new ATOM 0 HA LEU B 43 1.520 -12.606 -1.942 1.00 0.00 H new ATOM 0 HB2 LEU B 43 1.591 -11.847 0.857 1.00 0.00 H new ATOM 0 HB3 LEU B 43 3.175 -12.270 0.236 1.00 0.00 H new ATOM 0 HG LEU B 43 2.448 -10.673 -1.762 1.00 0.00 H new ATOM 0 HD11 LEU B 43 1.131 -8.761 -0.957 1.00 0.00 H new ATOM 0 HD12 LEU B 43 0.185 -10.268 -0.970 1.00 0.00 H new ATOM 0 HD13 LEU B 43 0.814 -9.625 0.566 1.00 0.00 H new ATOM 0 HD21 LEU B 43 3.591 -8.823 -0.615 1.00 0.00 H new ATOM 0 HD22 LEU B 43 3.437 -9.692 0.930 1.00 0.00 H new ATOM 0 HD23 LEU B 43 4.427 -10.377 -0.380 1.00 0.00 H new ATOM 1872 N ARG B 44 2.135 -15.217 -0.034 1.00 0.00 N ATOM 1873 CA ARG B 44 2.845 -16.484 0.016 1.00 0.00 C ATOM 1874 C ARG B 44 2.410 -17.354 -1.165 1.00 0.00 C ATOM 1875 O ARG B 44 3.266 -18.050 -1.731 1.00 0.00 O ATOM 1876 CB ARG B 44 2.569 -17.234 1.321 1.00 0.00 C ATOM 1877 CG ARG B 44 3.573 -16.836 2.405 1.00 0.00 C ATOM 1878 CD ARG B 44 2.856 -16.429 3.694 1.00 0.00 C ATOM 1879 NE ARG B 44 2.586 -17.626 4.522 1.00 0.00 N ATOM 1880 CZ ARG B 44 2.753 -17.673 5.861 1.00 0.00 C ATOM 1881 NH1 ARG B 44 3.189 -16.579 6.500 1.00 0.00 N ATOM 1882 NH2 ARG B 44 2.486 -18.797 6.541 1.00 0.00 N ATOM 0 H ARG B 44 1.461 -15.084 0.720 1.00 0.00 H new ATOM 0 HA ARG B 44 3.913 -16.275 -0.036 1.00 0.00 H new ATOM 0 HB2 ARG B 44 1.556 -17.018 1.661 1.00 0.00 H new ATOM 0 HB3 ARG B 44 2.624 -18.308 1.146 1.00 0.00 H new ATOM 0 HG2 ARG B 44 4.246 -17.670 2.607 1.00 0.00 H new ATOM 0 HG3 ARG B 44 4.188 -16.009 2.050 1.00 0.00 H new ATOM 0 HD2 ARG B 44 3.468 -15.721 4.252 1.00 0.00 H new ATOM 0 HD3 ARG B 44 1.921 -15.923 3.455 1.00 0.00 H new ATOM 0 HE ARG B 44 2.253 -18.468 4.052 1.00 0.00 H new ATOM 0 HH11 ARG B 44 3.389 -15.728 5.975 1.00 0.00 H new ATOM 0 HH12 ARG B 44 3.321 -16.598 7.511 1.00 0.00 H new ATOM 0 HH21 ARG B 44 2.154 -19.625 6.047 1.00 0.00 H new ATOM 0 HH22 ARG B 44 2.615 -18.824 7.552 1.00 0.00 H new ATOM 1896 N GLY B 45 1.111 -17.299 -1.508 1.00 0.00 N ATOM 1897 CA GLY B 45 0.572 -18.076 -2.611 1.00 0.00 C ATOM 1898 C GLY B 45 1.212 -17.608 -3.920 1.00 0.00 C ATOM 1899 O GLY B 45 1.615 -18.466 -4.719 1.00 0.00 O ATOM 0 H GLY B 45 0.422 -16.719 -1.028 1.00 0.00 H new ATOM 0 HA2 GLY B 45 0.770 -19.136 -2.455 1.00 0.00 H new ATOM 0 HA3 GLY B 45 -0.510 -17.958 -2.659 1.00 0.00 H new ATOM 1903 N ARG B 46 1.291 -16.279 -4.110 1.00 0.00 N ATOM 1904 CA ARG B 46 1.876 -15.706 -5.310 1.00 0.00 C ATOM 1905 C ARG B 46 3.389 -15.938 -5.295 1.00 0.00 C ATOM 1906 O ARG B 46 3.954 -16.207 -6.365 1.00 0.00 O ATOM 1907 CB ARG B 46 1.599 -14.205 -5.412 1.00 0.00 C ATOM 1908 CG ARG B 46 0.135 -13.941 -5.770 1.00 0.00 C ATOM 1909 CD ARG B 46 -0.047 -12.530 -6.332 1.00 0.00 C ATOM 1910 NE ARG B 46 -1.167 -12.509 -7.299 1.00 0.00 N ATOM 1911 CZ ARG B 46 -1.233 -11.684 -8.365 1.00 0.00 C ATOM 1912 NH1 ARG B 46 -0.231 -10.821 -8.581 1.00 0.00 N ATOM 1913 NH2 ARG B 46 -2.284 -11.727 -9.195 1.00 0.00 N ATOM 0 H ARG B 46 0.953 -15.589 -3.439 1.00 0.00 H new ATOM 0 HA ARG B 46 1.422 -16.194 -6.173 1.00 0.00 H new ATOM 0 HB2 ARG B 46 1.838 -13.722 -4.465 1.00 0.00 H new ATOM 0 HB3 ARG B 46 2.248 -13.762 -6.168 1.00 0.00 H new ATOM 0 HG2 ARG B 46 -0.202 -14.674 -6.503 1.00 0.00 H new ATOM 0 HG3 ARG B 46 -0.488 -14.067 -4.884 1.00 0.00 H new ATOM 0 HD2 ARG B 46 -0.244 -11.829 -5.520 1.00 0.00 H new ATOM 0 HD3 ARG B 46 0.871 -12.203 -6.820 1.00 0.00 H new ATOM 0 HE ARG B 46 -1.938 -13.160 -7.150 1.00 0.00 H new ATOM 0 HH11 ARG B 46 0.566 -10.795 -7.944 1.00 0.00 H new ATOM 0 HH12 ARG B 46 -0.265 -10.190 -9.382 1.00 0.00 H new ATOM 0 HH21 ARG B 46 -3.043 -12.387 -9.024 1.00 0.00 H new ATOM 0 HH22 ARG B 46 -2.326 -11.100 -9.998 1.00 0.00 H new ATOM 1927 N GLY B 47 4.003 -15.831 -4.104 1.00 0.00 N ATOM 1928 CA GLY B 47 5.434 -16.028 -3.955 1.00 0.00 C ATOM 1929 C GLY B 47 5.792 -17.460 -4.357 1.00 0.00 C ATOM 1930 O GLY B 47 6.853 -17.653 -4.969 1.00 0.00 O ATOM 0 H GLY B 47 3.518 -15.608 -3.235 1.00 0.00 H new ATOM 0 HA2 GLY B 47 5.977 -15.317 -4.577 1.00 0.00 H new ATOM 0 HA3 GLY B 47 5.733 -15.842 -2.923 1.00 0.00 H new ATOM 1934 N SER B 48 4.916 -18.420 -4.010 1.00 0.00 N ATOM 1935 CA SER B 48 5.139 -19.819 -4.333 1.00 0.00 C ATOM 1936 C SER B 48 4.836 -20.050 -5.815 1.00 0.00 C ATOM 1937 O SER B 48 5.670 -20.662 -6.499 1.00 0.00 O ATOM 1938 CB SER B 48 4.277 -20.738 -3.466 1.00 0.00 C ATOM 1939 OG SER B 48 5.024 -21.831 -2.939 1.00 0.00 O ATOM 0 H SER B 48 4.048 -18.240 -3.505 1.00 0.00 H new ATOM 0 HA SER B 48 6.182 -20.060 -4.129 1.00 0.00 H new ATOM 0 HB2 SER B 48 3.847 -20.164 -2.645 1.00 0.00 H new ATOM 0 HB3 SER B 48 3.445 -21.120 -4.058 1.00 0.00 H new ATOM 0 HG SER B 48 4.438 -22.393 -2.390 1.00 0.00 H new ATOM 1945 N THR B 49 3.669 -19.565 -6.275 1.00 0.00 N ATOM 1946 CA THR B 49 3.264 -19.719 -7.662 1.00 0.00 C ATOM 1947 C THR B 49 4.329 -19.101 -8.570 1.00 0.00 C ATOM 1948 O THR B 49 4.885 -19.829 -9.406 1.00 0.00 O ATOM 1949 CB THR B 49 1.878 -19.094 -7.838 1.00 0.00 C ATOM 1950 OG1 THR B 49 1.047 -19.838 -6.951 1.00 0.00 O ATOM 1951 CG2 THR B 49 1.285 -19.367 -9.221 1.00 0.00 C ATOM 0 H THR B 49 2.996 -19.063 -5.696 1.00 0.00 H new ATOM 0 HA THR B 49 3.185 -20.769 -7.943 1.00 0.00 H new ATOM 0 HB THR B 49 1.941 -18.018 -7.676 1.00 0.00 H new ATOM 0 HG1 THR B 49 0.934 -19.340 -6.114 1.00 0.00 H new ATOM 0 HG21 THR B 49 0.302 -18.902 -9.294 1.00 0.00 H new ATOM 0 HG22 THR B 49 1.940 -18.951 -9.986 1.00 0.00 H new ATOM 0 HG23 THR B 49 1.190 -20.443 -9.370 1.00 0.00 H new ATOM 1959 N LEU B 50 4.587 -17.793 -8.393 1.00 0.00 N ATOM 1960 CA LEU B 50 5.576 -17.088 -9.191 1.00 0.00 C ATOM 1961 C LEU B 50 6.972 -17.603 -8.836 1.00 0.00 C ATOM 1962 O LEU B 50 7.848 -17.583 -9.713 1.00 0.00 O ATOM 1963 CB LEU B 50 5.417 -15.575 -9.027 1.00 0.00 C ATOM 1964 CG LEU B 50 4.031 -15.008 -9.338 1.00 0.00 C ATOM 1965 CD1 LEU B 50 3.878 -13.594 -8.775 1.00 0.00 C ATOM 1966 CD2 LEU B 50 3.740 -15.063 -10.839 1.00 0.00 C ATOM 0 H LEU B 50 4.117 -17.211 -7.699 1.00 0.00 H new ATOM 0 HA LEU B 50 5.423 -17.287 -10.252 1.00 0.00 H new ATOM 0 HB2 LEU B 50 5.673 -15.312 -8.001 1.00 0.00 H new ATOM 0 HB3 LEU B 50 6.143 -15.081 -9.673 1.00 0.00 H new ATOM 0 HG LEU B 50 3.287 -15.633 -8.843 1.00 0.00 H new ATOM 0 HD11 LEU B 50 2.884 -13.214 -9.010 1.00 0.00 H new ATOM 0 HD12 LEU B 50 4.011 -13.617 -7.693 1.00 0.00 H new ATOM 0 HD13 LEU B 50 4.630 -12.942 -9.220 1.00 0.00 H new ATOM 0 HD21 LEU B 50 2.748 -14.654 -11.033 1.00 0.00 H new ATOM 0 HD22 LEU B 50 4.486 -14.477 -11.376 1.00 0.00 H new ATOM 0 HD23 LEU B 50 3.778 -16.098 -11.179 1.00 0.00 H new ATOM 1978 N GLY B 51 7.149 -18.045 -7.578 1.00 0.00 N ATOM 1979 CA GLY B 51 8.427 -18.558 -7.116 1.00 0.00 C ATOM 1980 C GLY B 51 9.458 -17.428 -7.121 1.00 0.00 C ATOM 1981 O GLY B 51 10.653 -17.720 -7.282 1.00 0.00 O ATOM 0 H GLY B 51 6.414 -18.052 -6.871 1.00 0.00 H new ATOM 0 HA2 GLY B 51 8.325 -18.968 -6.111 1.00 0.00 H new ATOM 0 HA3 GLY B 51 8.759 -19.372 -7.760 1.00 0.00 H new ATOM 1985 N LEU B 52 8.986 -16.181 -6.948 1.00 0.00 N ATOM 1986 CA LEU B 52 9.861 -15.021 -6.933 1.00 0.00 C ATOM 1987 C LEU B 52 10.145 -14.620 -5.484 1.00 0.00 C ATOM 1988 O LEU B 52 9.244 -14.763 -4.645 1.00 0.00 O ATOM 1989 CB LEU B 52 9.268 -13.891 -7.778 1.00 0.00 C ATOM 1990 CG LEU B 52 9.571 -13.945 -9.277 1.00 0.00 C ATOM 1991 CD1 LEU B 52 8.722 -12.929 -10.044 1.00 0.00 C ATOM 1992 CD2 LEU B 52 11.066 -13.759 -9.541 1.00 0.00 C ATOM 0 H LEU B 52 7.998 -15.962 -6.817 1.00 0.00 H new ATOM 0 HA LEU B 52 10.820 -15.262 -7.392 1.00 0.00 H new ATOM 0 HB2 LEU B 52 8.186 -13.894 -7.646 1.00 0.00 H new ATOM 0 HB3 LEU B 52 9.634 -12.941 -7.387 1.00 0.00 H new ATOM 0 HG LEU B 52 9.300 -14.934 -9.645 1.00 0.00 H new ATOM 0 HD11 LEU B 52 8.956 -12.988 -11.107 1.00 0.00 H new ATOM 0 HD12 LEU B 52 7.665 -13.150 -9.893 1.00 0.00 H new ATOM 0 HD13 LEU B 52 8.939 -11.925 -9.680 1.00 0.00 H new ATOM 0 HD21 LEU B 52 11.254 -13.802 -10.614 1.00 0.00 H new ATOM 0 HD22 LEU B 52 11.386 -12.791 -9.155 1.00 0.00 H new ATOM 0 HD23 LEU B 52 11.625 -14.551 -9.043 1.00 0.00 H new ATOM 2004 N ASN B 53 11.372 -14.135 -5.223 1.00 0.00 N ATOM 2005 CA ASN B 53 11.768 -13.719 -3.888 1.00 0.00 C ATOM 2006 C ASN B 53 10.995 -12.457 -3.502 1.00 0.00 C ATOM 2007 O ASN B 53 11.001 -11.498 -4.287 1.00 0.00 O ATOM 2008 CB ASN B 53 13.262 -13.393 -3.833 1.00 0.00 C ATOM 2009 CG ASN B 53 13.823 -13.626 -2.429 1.00 0.00 C ATOM 2010 OD1 ASN B 53 13.144 -13.009 -1.466 1.00 0.00 O flip ATOM 2011 ND2 ASN B 53 14.807 -14.320 -2.232 1.00 0.00 N flip ATOM 0 H ASN B 53 12.100 -14.026 -5.929 1.00 0.00 H new ATOM 0 HA ASN B 53 11.552 -14.538 -3.202 1.00 0.00 H new ATOM 0 HB2 ASN B 53 13.800 -14.013 -4.551 1.00 0.00 H new ATOM 0 HB3 ASN B 53 13.422 -12.355 -4.125 1.00 0.00 H new ATOM 0 HD21 ASN B 53 15.282 -14.766 -3.017 1.00 0.00 H new ATOM 0 HD22 ASN B 53 15.154 -14.454 -1.282 1.00 0.00 H new ATOM 2018 N ILE B 54 10.354 -12.482 -2.319 1.00 0.00 N ATOM 2019 CA ILE B 54 9.585 -11.348 -1.836 1.00 0.00 C ATOM 2020 C ILE B 54 10.542 -10.251 -1.366 1.00 0.00 C ATOM 2021 O ILE B 54 10.235 -9.069 -1.581 1.00 0.00 O ATOM 2022 CB ILE B 54 8.587 -11.795 -0.765 1.00 0.00 C ATOM 2023 CG1 ILE B 54 7.284 -12.283 -1.400 1.00 0.00 C ATOM 2024 CG2 ILE B 54 8.345 -10.683 0.257 1.00 0.00 C ATOM 2025 CD1 ILE B 54 7.546 -13.430 -2.378 1.00 0.00 C ATOM 0 H ILE B 54 10.361 -13.283 -1.687 1.00 0.00 H new ATOM 0 HA ILE B 54 8.985 -10.924 -2.641 1.00 0.00 H new ATOM 0 HB ILE B 54 9.019 -12.639 -0.227 1.00 0.00 H new ATOM 0 HG12 ILE B 54 6.598 -12.614 -0.621 1.00 0.00 H new ATOM 0 HG13 ILE B 54 6.799 -11.459 -1.923 1.00 0.00 H new ATOM 0 HG21 ILE B 54 7.632 -11.027 1.007 1.00 0.00 H new ATOM 0 HG22 ILE B 54 9.286 -10.424 0.743 1.00 0.00 H new ATOM 0 HG23 ILE B 54 7.944 -9.805 -0.249 1.00 0.00 H new ATOM 0 HD11 ILE B 54 6.603 -13.758 -2.815 1.00 0.00 H new ATOM 0 HD12 ILE B 54 8.213 -13.088 -3.169 1.00 0.00 H new ATOM 0 HD13 ILE B 54 8.009 -14.262 -1.847 1.00 0.00 H new ATOM 2037 N GLU B 55 11.663 -10.656 -0.743 1.00 0.00 N ATOM 2038 CA GLU B 55 12.652 -9.714 -0.248 1.00 0.00 C ATOM 2039 C GLU B 55 13.194 -8.890 -1.418 1.00 0.00 C ATOM 2040 O GLU B 55 13.218 -7.655 -1.308 1.00 0.00 O ATOM 2041 CB GLU B 55 13.786 -10.426 0.493 1.00 0.00 C ATOM 2042 CG GLU B 55 13.280 -11.060 1.790 1.00 0.00 C ATOM 2043 CD GLU B 55 14.439 -11.632 2.609 1.00 0.00 C ATOM 2044 OE1 GLU B 55 15.560 -11.008 2.477 1.00 0.00 O ATOM 2045 OE2 GLU B 55 14.258 -12.625 3.330 1.00 0.00 O ATOM 0 H GLU B 55 11.896 -11.635 -0.576 1.00 0.00 H new ATOM 0 HA GLU B 55 12.173 -9.049 0.470 1.00 0.00 H new ATOM 0 HB2 GLU B 55 14.217 -11.195 -0.148 1.00 0.00 H new ATOM 0 HB3 GLU B 55 14.581 -9.715 0.718 1.00 0.00 H new ATOM 0 HG2 GLU B 55 12.747 -10.314 2.380 1.00 0.00 H new ATOM 0 HG3 GLU B 55 12.568 -11.852 1.558 1.00 0.00 H new ATOM 2052 N ALA B 56 13.612 -9.576 -2.496 1.00 0.00 N ATOM 2053 CA ALA B 56 14.148 -8.912 -3.672 1.00 0.00 C ATOM 2054 C ALA B 56 13.034 -8.116 -4.354 1.00 0.00 C ATOM 2055 O ALA B 56 13.324 -7.037 -4.892 1.00 0.00 O ATOM 2056 CB ALA B 56 14.612 -9.958 -4.688 1.00 0.00 C ATOM 0 H ALA B 56 13.584 -10.593 -2.566 1.00 0.00 H new ATOM 0 HA ALA B 56 14.971 -8.269 -3.361 1.00 0.00 H new ATOM 0 HB1 ALA B 56 15.013 -9.457 -5.569 1.00 0.00 H new ATOM 0 HB2 ALA B 56 15.386 -10.581 -4.241 1.00 0.00 H new ATOM 0 HB3 ALA B 56 13.767 -10.582 -4.979 1.00 0.00 H new ATOM 2062 N ALA B 57 11.801 -8.653 -4.320 1.00 0.00 N ATOM 2063 CA ALA B 57 10.658 -7.997 -4.931 1.00 0.00 C ATOM 2064 C ALA B 57 10.422 -6.650 -4.245 1.00 0.00 C ATOM 2065 O ALA B 57 10.197 -5.659 -4.955 1.00 0.00 O ATOM 2066 CB ALA B 57 9.397 -8.829 -4.688 1.00 0.00 C ATOM 0 H ALA B 57 11.583 -9.543 -3.872 1.00 0.00 H new ATOM 0 HA ALA B 57 10.856 -7.878 -5.996 1.00 0.00 H new ATOM 0 HB1 ALA B 57 8.541 -8.335 -5.147 1.00 0.00 H new ATOM 0 HB2 ALA B 57 9.524 -9.818 -5.127 1.00 0.00 H new ATOM 0 HB3 ALA B 57 9.227 -8.927 -3.616 1.00 0.00 H new ATOM 2072 N THR B 58 10.477 -6.641 -2.901 1.00 0.00 N ATOM 2073 CA THR B 58 10.271 -5.426 -2.131 1.00 0.00 C ATOM 2074 C THR B 58 11.324 -4.390 -2.529 1.00 0.00 C ATOM 2075 O THR B 58 10.986 -3.199 -2.593 1.00 0.00 O ATOM 2076 CB THR B 58 10.299 -5.781 -0.643 1.00 0.00 C ATOM 2077 OG1 THR B 58 9.130 -6.574 -0.453 1.00 0.00 O ATOM 2078 CG2 THR B 58 10.071 -4.562 0.254 1.00 0.00 C ATOM 0 H THR B 58 10.663 -7.469 -2.335 1.00 0.00 H new ATOM 0 HA THR B 58 9.299 -4.978 -2.340 1.00 0.00 H new ATOM 0 HB THR B 58 11.257 -6.239 -0.397 1.00 0.00 H new ATOM 0 HG1 THR B 58 9.295 -7.483 -0.780 1.00 0.00 H new ATOM 0 HG21 THR B 58 10.100 -4.869 1.299 1.00 0.00 H new ATOM 0 HG22 THR B 58 10.852 -3.824 0.070 1.00 0.00 H new ATOM 0 HG23 THR B 58 9.098 -4.124 0.032 1.00 0.00 H new ATOM 2086 N HIS B 59 12.561 -4.856 -2.783 1.00 0.00 N ATOM 2087 CA HIS B 59 13.650 -3.975 -3.170 1.00 0.00 C ATOM 2088 C HIS B 59 13.310 -3.306 -4.503 1.00 0.00 C ATOM 2089 O HIS B 59 13.437 -2.076 -4.594 1.00 0.00 O ATOM 2090 CB HIS B 59 14.978 -4.733 -3.209 1.00 0.00 C ATOM 2091 CG HIS B 59 15.594 -4.964 -1.850 1.00 0.00 C ATOM 2092 ND1 HIS B 59 16.939 -4.764 -1.592 1.00 0.00 N ATOM 2093 CD2 HIS B 59 15.035 -5.378 -0.676 1.00 0.00 C ATOM 2094 CE1 HIS B 59 17.168 -5.050 -0.319 1.00 0.00 C ATOM 2095 NE2 HIS B 59 15.987 -5.430 0.247 1.00 0.00 N ATOM 0 H HIS B 59 12.819 -5.841 -2.724 1.00 0.00 H new ATOM 0 HA HIS B 59 13.772 -3.189 -2.424 1.00 0.00 H new ATOM 0 HB2 HIS B 59 14.820 -5.697 -3.694 1.00 0.00 H new ATOM 0 HB3 HIS B 59 15.684 -4.177 -3.827 1.00 0.00 H new ATOM 0 HD2 HIS B 59 13.994 -5.622 -0.524 1.00 0.00 H new ATOM 0 HE1 HIS B 59 18.123 -4.992 0.183 1.00 0.00 H new ATOM 0 HE2 HIS B 59 15.857 -5.708 1.220 1.00 0.00 H new ATOM 2103 N VAL B 60 12.891 -4.113 -5.493 1.00 0.00 N ATOM 2104 CA VAL B 60 12.537 -3.602 -6.806 1.00 0.00 C ATOM 2105 C VAL B 60 11.442 -2.544 -6.659 1.00 0.00 C ATOM 2106 O VAL B 60 11.530 -1.506 -7.332 1.00 0.00 O ATOM 2107 CB VAL B 60 12.133 -4.756 -7.726 1.00 0.00 C ATOM 2108 CG1 VAL B 60 11.616 -4.233 -9.068 1.00 0.00 C ATOM 2109 CG2 VAL B 60 13.296 -5.729 -7.928 1.00 0.00 C ATOM 0 H VAL B 60 12.793 -5.124 -5.397 1.00 0.00 H new ATOM 0 HA VAL B 60 13.396 -3.119 -7.271 1.00 0.00 H new ATOM 0 HB VAL B 60 11.321 -5.300 -7.244 1.00 0.00 H new ATOM 0 HG11 VAL B 60 11.336 -5.074 -9.703 1.00 0.00 H new ATOM 0 HG12 VAL B 60 10.745 -3.599 -8.900 1.00 0.00 H new ATOM 0 HG13 VAL B 60 12.398 -3.653 -9.558 1.00 0.00 H new ATOM 0 HG21 VAL B 60 12.982 -6.540 -8.586 1.00 0.00 H new ATOM 0 HG22 VAL B 60 14.137 -5.202 -8.378 1.00 0.00 H new ATOM 0 HG23 VAL B 60 13.598 -6.140 -6.965 1.00 0.00 H new ATOM 2119 N GLY B 61 10.449 -2.821 -5.795 1.00 0.00 N ATOM 2120 CA GLY B 61 9.350 -1.900 -5.564 1.00 0.00 C ATOM 2121 C GLY B 61 9.906 -0.566 -5.060 1.00 0.00 C ATOM 2122 O GLY B 61 9.483 0.480 -5.573 1.00 0.00 O ATOM 0 H GLY B 61 10.396 -3.681 -5.249 1.00 0.00 H new ATOM 0 HA2 GLY B 61 8.788 -1.748 -6.485 1.00 0.00 H new ATOM 0 HA3 GLY B 61 8.657 -2.318 -4.833 1.00 0.00 H new ATOM 2126 N LYS B 62 10.826 -0.628 -4.082 1.00 0.00 N ATOM 2127 CA LYS B 62 11.431 0.566 -3.516 1.00 0.00 C ATOM 2128 C LYS B 62 11.913 1.474 -4.650 1.00 0.00 C ATOM 2129 O LYS B 62 11.659 2.685 -4.583 1.00 0.00 O ATOM 2130 CB LYS B 62 12.530 0.190 -2.521 1.00 0.00 C ATOM 2131 CG LYS B 62 13.542 1.327 -2.365 1.00 0.00 C ATOM 2132 CD LYS B 62 12.886 2.563 -1.746 1.00 0.00 C ATOM 2133 CE LYS B 62 13.157 3.809 -2.591 1.00 0.00 C ATOM 2134 NZ LYS B 62 13.914 4.804 -1.814 1.00 0.00 N ATOM 0 H LYS B 62 11.161 -1.501 -3.673 1.00 0.00 H new ATOM 0 HA LYS B 62 10.695 1.131 -2.944 1.00 0.00 H new ATOM 0 HB2 LYS B 62 12.085 -0.041 -1.553 1.00 0.00 H new ATOM 0 HB3 LYS B 62 13.040 -0.711 -2.861 1.00 0.00 H new ATOM 0 HG2 LYS B 62 14.370 0.998 -1.738 1.00 0.00 H new ATOM 0 HG3 LYS B 62 13.961 1.582 -3.338 1.00 0.00 H new ATOM 0 HD2 LYS B 62 11.811 2.404 -1.660 1.00 0.00 H new ATOM 0 HD3 LYS B 62 13.267 2.714 -0.736 1.00 0.00 H new ATOM 0 HE2 LYS B 62 13.717 3.535 -3.485 1.00 0.00 H new ATOM 0 HE3 LYS B 62 12.214 4.241 -2.926 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 13.446 5.730 -1.887 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 13.950 4.512 -0.817 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 14.882 4.874 -2.189 1.00 0.00 H new ATOM 2148 N GLN B 63 12.587 0.881 -5.651 1.00 0.00 N ATOM 2149 CA GLN B 63 13.097 1.631 -6.786 1.00 0.00 C ATOM 2150 C GLN B 63 11.924 2.120 -7.638 1.00 0.00 C ATOM 2151 O GLN B 63 12.007 3.236 -8.171 1.00 0.00 O ATOM 2152 CB GLN B 63 14.070 0.795 -7.621 1.00 0.00 C ATOM 2153 CG GLN B 63 15.519 1.068 -7.211 1.00 0.00 C ATOM 2154 CD GLN B 63 15.872 0.326 -5.920 1.00 0.00 C ATOM 2155 OE1 GLN B 63 15.414 -0.921 -5.870 1.00 0.00 O flip ATOM 2156 NE2 GLN B 63 16.518 0.852 -5.028 1.00 0.00 N flip ATOM 0 H GLN B 63 12.786 -0.119 -5.686 1.00 0.00 H new ATOM 0 HA GLN B 63 13.655 2.491 -6.414 1.00 0.00 H new ATOM 0 HB2 GLN B 63 13.846 -0.264 -7.495 1.00 0.00 H new ATOM 0 HB3 GLN B 63 13.938 1.025 -8.678 1.00 0.00 H new ATOM 0 HG2 GLN B 63 16.192 0.756 -8.010 1.00 0.00 H new ATOM 0 HG3 GLN B 63 15.666 2.139 -7.071 1.00 0.00 H new ATOM 0 HE21 GLN B 63 16.840 1.814 -5.131 1.00 0.00 H new ATOM 0 HE22 GLN B 63 16.736 0.329 -4.180 1.00 0.00 H new ATOM 2165 N ILE B 64 10.873 1.288 -7.749 1.00 0.00 N ATOM 2166 CA ILE B 64 9.696 1.634 -8.528 1.00 0.00 C ATOM 2167 C ILE B 64 9.041 2.880 -7.929 1.00 0.00 C ATOM 2168 O ILE B 64 8.515 3.697 -8.699 1.00 0.00 O ATOM 2169 CB ILE B 64 8.753 0.434 -8.636 1.00 0.00 C ATOM 2170 CG1 ILE B 64 9.260 -0.571 -9.672 1.00 0.00 C ATOM 2171 CG2 ILE B 64 7.321 0.887 -8.928 1.00 0.00 C ATOM 2172 CD1 ILE B 64 9.055 -0.043 -11.094 1.00 0.00 C ATOM 0 H ILE B 64 10.826 0.372 -7.304 1.00 0.00 H new ATOM 0 HA ILE B 64 9.976 1.882 -9.552 1.00 0.00 H new ATOM 0 HB ILE B 64 8.739 -0.077 -7.673 1.00 0.00 H new ATOM 0 HG12 ILE B 64 10.318 -0.770 -9.503 1.00 0.00 H new ATOM 0 HG13 ILE B 64 8.734 -1.518 -9.553 1.00 0.00 H new ATOM 0 HG21 ILE B 64 6.671 0.015 -9.000 1.00 0.00 H new ATOM 0 HG22 ILE B 64 6.973 1.534 -8.123 1.00 0.00 H new ATOM 0 HG23 ILE B 64 7.298 1.435 -9.870 1.00 0.00 H new ATOM 0 HD11 ILE B 64 9.424 -0.776 -11.811 1.00 0.00 H new ATOM 0 HD12 ILE B 64 7.993 0.132 -11.268 1.00 0.00 H new ATOM 0 HD13 ILE B 64 9.602 0.892 -11.217 1.00 0.00 H new ATOM 2184 N VAL B 65 9.083 2.998 -6.590 1.00 0.00 N ATOM 2185 CA VAL B 65 8.498 4.134 -5.898 1.00 0.00 C ATOM 2186 C VAL B 65 9.379 5.366 -6.114 1.00 0.00 C ATOM 2187 O VAL B 65 8.830 6.439 -6.404 1.00 0.00 O ATOM 2188 CB VAL B 65 8.292 3.797 -4.420 1.00 0.00 C ATOM 2189 CG1 VAL B 65 8.005 5.059 -3.605 1.00 0.00 C ATOM 2190 CG2 VAL B 65 7.178 2.763 -4.243 1.00 0.00 C ATOM 0 H VAL B 65 9.520 2.312 -5.974 1.00 0.00 H new ATOM 0 HA VAL B 65 7.513 4.364 -6.305 1.00 0.00 H new ATOM 0 HB VAL B 65 9.217 3.359 -4.044 1.00 0.00 H new ATOM 0 HG11 VAL B 65 7.863 4.791 -2.558 1.00 0.00 H new ATOM 0 HG12 VAL B 65 8.845 5.748 -3.692 1.00 0.00 H new ATOM 0 HG13 VAL B 65 7.102 5.539 -3.983 1.00 0.00 H new ATOM 0 HG21 VAL B 65 7.052 2.541 -3.183 1.00 0.00 H new ATOM 0 HG22 VAL B 65 6.246 3.161 -4.644 1.00 0.00 H new ATOM 0 HG23 VAL B 65 7.442 1.849 -4.776 1.00 0.00 H new ATOM 2200 N GLU B 66 10.704 5.191 -5.970 1.00 0.00 N ATOM 2201 CA GLU B 66 11.649 6.281 -6.148 1.00 0.00 C ATOM 2202 C GLU B 66 11.553 6.804 -7.582 1.00 0.00 C ATOM 2203 O GLU B 66 11.786 8.004 -7.789 1.00 0.00 O ATOM 2204 CB GLU B 66 13.078 5.847 -5.816 1.00 0.00 C ATOM 2205 CG GLU B 66 13.518 6.400 -4.460 1.00 0.00 C ATOM 2206 CD GLU B 66 15.011 6.157 -4.228 1.00 0.00 C ATOM 2207 OE1 GLU B 66 15.369 4.918 -4.230 1.00 0.00 O ATOM 2208 OE2 GLU B 66 15.776 7.118 -4.055 1.00 0.00 O ATOM 0 H GLU B 66 11.135 4.298 -5.730 1.00 0.00 H new ATOM 0 HA GLU B 66 11.393 7.082 -5.455 1.00 0.00 H new ATOM 0 HB2 GLU B 66 13.138 4.759 -5.806 1.00 0.00 H new ATOM 0 HB3 GLU B 66 13.758 6.196 -6.593 1.00 0.00 H new ATOM 0 HG2 GLU B 66 13.308 7.469 -4.413 1.00 0.00 H new ATOM 0 HG3 GLU B 66 12.941 5.927 -3.665 1.00 0.00 H new ATOM 2215 N LYS B 67 11.219 5.909 -8.529 1.00 0.00 N ATOM 2216 CA LYS B 67 11.095 6.278 -9.929 1.00 0.00 C ATOM 2217 C LYS B 67 9.842 7.136 -10.117 1.00 0.00 C ATOM 2218 O LYS B 67 9.894 8.091 -10.906 1.00 0.00 O ATOM 2219 CB LYS B 67 11.126 5.032 -10.816 1.00 0.00 C ATOM 2220 CG LYS B 67 12.562 4.564 -11.055 1.00 0.00 C ATOM 2221 CD LYS B 67 12.678 3.802 -12.377 1.00 0.00 C ATOM 2222 CE LYS B 67 13.756 2.720 -12.292 1.00 0.00 C ATOM 2223 NZ LYS B 67 15.089 3.329 -12.154 1.00 0.00 N ATOM 0 H LYS B 67 11.032 4.925 -8.338 1.00 0.00 H new ATOM 0 HA LYS B 67 11.946 6.884 -10.240 1.00 0.00 H new ATOM 0 HB2 LYS B 67 10.553 4.233 -10.346 1.00 0.00 H new ATOM 0 HB3 LYS B 67 10.647 5.249 -11.771 1.00 0.00 H new ATOM 0 HG2 LYS B 67 13.231 5.424 -11.067 1.00 0.00 H new ATOM 0 HG3 LYS B 67 12.881 3.923 -10.233 1.00 0.00 H new ATOM 0 HD2 LYS B 67 11.719 3.347 -12.624 1.00 0.00 H new ATOM 0 HD3 LYS B 67 12.918 4.497 -13.182 1.00 0.00 H new ATOM 0 HE2 LYS B 67 13.558 2.067 -11.442 1.00 0.00 H new ATOM 0 HE3 LYS B 67 13.725 2.097 -13.186 1.00 0.00 H new ATOM 0 HZ1 LYS B 67 15.814 2.584 -12.166 1.00 0.00 H new ATOM 0 HZ2 LYS B 67 15.254 3.985 -12.944 1.00 0.00 H new ATOM 0 HZ3 LYS B 67 15.142 3.849 -11.255 1.00 0.00 H new ATOM 2237 N ILE B 68 8.759 6.786 -9.400 1.00 0.00 N ATOM 2238 CA ILE B 68 7.508 7.519 -9.487 1.00 0.00 C ATOM 2239 C ILE B 68 7.633 8.829 -8.705 1.00 0.00 C ATOM 2240 O ILE B 68 6.982 9.811 -9.092 1.00 0.00 O ATOM 2241 CB ILE B 68 6.340 6.642 -9.034 1.00 0.00 C ATOM 2242 CG1 ILE B 68 5.730 5.887 -10.216 1.00 0.00 C ATOM 2243 CG2 ILE B 68 5.295 7.466 -8.279 1.00 0.00 C ATOM 2244 CD1 ILE B 68 5.510 4.412 -9.871 1.00 0.00 C ATOM 0 H ILE B 68 8.737 5.996 -8.755 1.00 0.00 H new ATOM 0 HA ILE B 68 7.294 7.785 -10.522 1.00 0.00 H new ATOM 0 HB ILE B 68 6.724 5.895 -8.339 1.00 0.00 H new ATOM 0 HG12 ILE B 68 4.780 6.345 -10.493 1.00 0.00 H new ATOM 0 HG13 ILE B 68 6.387 5.967 -11.082 1.00 0.00 H new ATOM 0 HG21 ILE B 68 4.476 6.818 -7.968 1.00 0.00 H new ATOM 0 HG22 ILE B 68 5.754 7.918 -7.399 1.00 0.00 H new ATOM 0 HG23 ILE B 68 4.910 8.250 -8.931 1.00 0.00 H new ATOM 0 HD11 ILE B 68 5.075 3.899 -10.729 1.00 0.00 H new ATOM 0 HD12 ILE B 68 6.465 3.951 -9.618 1.00 0.00 H new ATOM 0 HD13 ILE B 68 4.833 4.334 -9.020 1.00 0.00 H new ATOM 2256 N LEU B 69 8.453 8.817 -7.639 1.00 0.00 N ATOM 2257 CA LEU B 69 8.659 9.995 -6.814 1.00 0.00 C ATOM 2258 C LEU B 69 9.570 10.978 -7.552 1.00 0.00 C ATOM 2259 O LEU B 69 9.413 12.191 -7.355 1.00 0.00 O ATOM 2260 CB LEU B 69 9.178 9.596 -5.431 1.00 0.00 C ATOM 2261 CG LEU B 69 8.120 9.144 -4.422 1.00 0.00 C ATOM 2262 CD1 LEU B 69 8.773 8.536 -3.179 1.00 0.00 C ATOM 2263 CD2 LEU B 69 7.173 10.291 -4.069 1.00 0.00 C ATOM 0 H LEU B 69 8.980 7.997 -7.338 1.00 0.00 H new ATOM 0 HA LEU B 69 7.713 10.507 -6.639 1.00 0.00 H new ATOM 0 HB2 LEU B 69 9.901 8.790 -5.555 1.00 0.00 H new ATOM 0 HB3 LEU B 69 9.716 10.444 -5.008 1.00 0.00 H new ATOM 0 HG LEU B 69 7.518 8.362 -4.885 1.00 0.00 H new ATOM 0 HD11 LEU B 69 7.999 8.223 -2.478 1.00 0.00 H new ATOM 0 HD12 LEU B 69 9.372 7.672 -3.468 1.00 0.00 H new ATOM 0 HD13 LEU B 69 9.414 9.279 -2.704 1.00 0.00 H new ATOM 0 HD21 LEU B 69 6.431 9.942 -3.350 1.00 0.00 H new ATOM 0 HD22 LEU B 69 7.742 11.112 -3.633 1.00 0.00 H new ATOM 0 HD23 LEU B 69 6.669 10.638 -4.971 1.00 0.00 H new ATOM 2275 N LYS B 70 10.490 10.443 -8.375 1.00 0.00 N ATOM 2276 CA LYS B 70 11.416 11.267 -9.134 1.00 0.00 C ATOM 2277 C LYS B 70 10.637 12.082 -10.169 1.00 0.00 C ATOM 2278 O LYS B 70 11.100 13.173 -10.530 1.00 0.00 O ATOM 2279 CB LYS B 70 12.527 10.406 -9.739 1.00 0.00 C ATOM 2280 CG LYS B 70 13.773 11.245 -10.032 1.00 0.00 C ATOM 2281 CD LYS B 70 14.846 11.023 -8.964 1.00 0.00 C ATOM 2282 CE LYS B 70 14.327 11.405 -7.577 1.00 0.00 C ATOM 2283 NZ LYS B 70 14.264 12.869 -7.435 1.00 0.00 N ATOM 0 H LYS B 70 10.603 9.440 -8.524 1.00 0.00 H new ATOM 0 HA LYS B 70 11.917 11.979 -8.479 1.00 0.00 H new ATOM 0 HB2 LYS B 70 12.781 9.599 -9.052 1.00 0.00 H new ATOM 0 HB3 LYS B 70 12.172 9.942 -10.659 1.00 0.00 H new ATOM 0 HG2 LYS B 70 14.171 10.982 -11.012 1.00 0.00 H new ATOM 0 HG3 LYS B 70 13.505 12.301 -10.069 1.00 0.00 H new ATOM 0 HD2 LYS B 70 15.155 9.978 -8.965 1.00 0.00 H new ATOM 0 HD3 LYS B 70 15.729 11.616 -9.202 1.00 0.00 H new ATOM 0 HE2 LYS B 70 13.337 10.976 -7.422 1.00 0.00 H new ATOM 0 HE3 LYS B 70 14.979 10.987 -6.810 1.00 0.00 H new ATOM 0 HZ1 LYS B 70 14.862 13.166 -6.638 1.00 0.00 H new ATOM 0 HZ2 LYS B 70 14.604 13.318 -8.309 1.00 0.00 H new ATOM 0 HZ3 LYS B 70 13.281 13.159 -7.257 1.00 0.00 H new ATOM 2297 N GLU B 71 9.488 11.545 -10.617 1.00 0.00 N ATOM 2298 CA GLU B 71 8.655 12.218 -11.599 1.00 0.00 C ATOM 2299 C GLU B 71 7.838 13.310 -10.907 1.00 0.00 C ATOM 2300 O GLU B 71 7.365 14.222 -11.601 1.00 0.00 O ATOM 2301 CB GLU B 71 7.743 11.232 -12.332 1.00 0.00 C ATOM 2302 CG GLU B 71 8.234 9.794 -12.154 1.00 0.00 C ATOM 2303 CD GLU B 71 7.423 8.827 -13.019 1.00 0.00 C ATOM 2304 OE1 GLU B 71 6.219 9.038 -13.223 1.00 0.00 O ATOM 2305 OE2 GLU B 71 8.088 7.825 -13.487 1.00 0.00 O ATOM 0 H GLU B 71 9.124 10.644 -10.306 1.00 0.00 H new ATOM 0 HA GLU B 71 9.300 12.674 -12.351 1.00 0.00 H new ATOM 0 HB2 GLU B 71 6.725 11.322 -11.953 1.00 0.00 H new ATOM 0 HB3 GLU B 71 7.711 11.480 -13.393 1.00 0.00 H new ATOM 0 HG2 GLU B 71 9.289 9.730 -12.422 1.00 0.00 H new ATOM 0 HG3 GLU B 71 8.153 9.505 -11.106 1.00 0.00 H new