USER MOD reduce.3.24.130724 H: found=0, std=0, add=923, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 923 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 21 ASN : amide:sc= -1.5 K(o=-6.1,f=-3.8) USER MOD Set 1.2: B 52 ASN : amide:sc= -4.61 K(o=-6.1,f=-12!) USER MOD Set 2.1: B 26 GLN : amide:sc= -9.22! K(o=-16!,f=-2.2) USER MOD Set 2.2: B 55 GLN : amide:sc= -7.11! K(o=-16!,f=-2.2) USER MOD Set 3.1: A 28 LYS NZ :NH3+ -132:sc= -1.14 (180deg=-4.38!) USER MOD Set 3.2: B 23 ASN : amide:sc= -8.96! C(o=-11!,f=-21!) USER MOD Set 3.3: B 24 SER OG : rot -29:sc= -0.694 USER MOD Set 4.1: B 1 VAL N :NH3+ 176:sc= -0.46 (180deg=-0.556) USER MOD Set 4.2: B 6 ASN : amide:sc= -0.363 X(o=-0.82,f=-1.2) USER MOD Set 5.1: A 21 ASN : amide:sc= -1.44 X(o=-9.9,f=-9.7) USER MOD Set 5.2: A 52 ASN : amide:sc= -8.47! C(o=-9.9!,f=-18!) USER MOD Set 6.1: A 40 GLN : amide:sc= 0.307 K(o=0.5,f=-0.14) USER MOD Set 6.2: A 43 ASN : amide:sc= 0.198 K(o=0.5,f=-0.14) USER MOD Set 7.1: A 26 GLN : amide:sc= -5.83! K(o=-15!,f=-2.6) USER MOD Set 7.2: A 55 GLN : amide:sc= -8.76! C(o=-15!,f=-2.6!) USER MOD Set 8.1: A 13 THR OG1 : rot 116:sc= -3.23! USER MOD Set 8.2: B 17 MET CE :methyl -123:sc= -12.3! (180deg=-12.3!) USER MOD Set 9.1: A 7 LYS NZ :NH3+ 178:sc= -0.395 (180deg=-0.391) USER MOD Set 9.2: B 7 LYS NZ :NH3+ -135:sc= 0.927 (180deg=-0.641) USER MOD Single : A 1 VAL N :NH3+ -110:sc= -0.741 (180deg=-0.885) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 4 LYS NZ :NH3+ -151:sc= 0.874 (180deg=-0.447) USER MOD Single : A 6 ASN : amide:sc= -3.44! C(o=-3.4!,f=-8!) USER MOD Single : A 18 ASN : amide:sc= -5.6! K(o=-5.6!,f=-2.6) USER MOD Single : A 23 ASN : amide:sc= -1.03 K(o=-1,f=-10!) USER MOD Single : A 33 SER OG : rot 73:sc= 0.713 USER MOD Single : A 39 SER OG : rot -64:sc= 1.24 USER MOD Single : A 41 SER OG : rot 100:sc= -0.155 USER MOD Single : A 49 LYS NZ :NH3+ 178:sc= -1.42 (180deg=-1.47) USER MOD Single : A 50 LYS NZ :NH3+ 166:sc= -0.391 (180deg=-0.675) USER MOD Single : A 58 LYS NZ :NH3+ -172:sc= 0.98 (180deg=0.904) USER MOD Single : B 3 ASN : amide:sc= -1.23 K(o=-1.2,f=-3.2) USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 ASN : amide:sc= -0.0261 K(o=-0.026,f=-1.2) USER MOD Single : B 33 SER OG : rot 86:sc= 0.0454 USER MOD Single : B 39 SER OG : rot 180:sc= -0.212 USER MOD Single : B 40 GLN : amide:sc= -3.95 K(o=-3.9,f=-1.4) USER MOD Single : B 41 SER OG : rot 180:sc= -1.33 USER MOD Single : B 43 ASN : amide:sc= -0.699 K(o=-0.7,f=-0.03) USER MOD Single : B 49 LYS NZ :NH3+ 144:sc= -0.656 (180deg=-1.77!) USER MOD Single : B 50 LYS NZ :NH3+ -136:sc= 0.284 (180deg=0) USER MOD Single : B 58 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.12) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 13.328 -14.709 4.879 1.00 0.00 N ATOM 2 CA VAL A 1 12.828 -14.047 6.121 1.00 0.00 C ATOM 3 C VAL A 1 11.299 -14.051 6.120 1.00 0.00 C ATOM 4 O VAL A 1 10.668 -14.406 5.121 1.00 0.00 O ATOM 5 CB VAL A 1 13.356 -12.600 6.193 1.00 0.00 C ATOM 6 CG1 VAL A 1 14.887 -12.611 6.302 1.00 0.00 C ATOM 7 CG2 VAL A 1 12.939 -11.818 4.935 1.00 0.00 C ATOM 0 H1 VAL A 1 13.762 -15.622 5.123 1.00 0.00 H new ATOM 0 H2 VAL A 1 12.534 -14.866 4.226 1.00 0.00 H new ATOM 0 H3 VAL A 1 14.037 -14.100 4.422 1.00 0.00 H new ATOM 0 HA VAL A 1 13.186 -14.594 6.993 1.00 0.00 H new ATOM 0 HB VAL A 1 12.931 -12.115 7.072 1.00 0.00 H new ATOM 0 HG11 VAL A 1 15.256 -11.586 6.353 1.00 0.00 H new ATOM 0 HG12 VAL A 1 15.184 -13.148 7.203 1.00 0.00 H new ATOM 0 HG13 VAL A 1 15.310 -13.106 5.428 1.00 0.00 H new ATOM 0 HG21 VAL A 1 13.318 -10.798 4.998 1.00 0.00 H new ATOM 0 HG22 VAL A 1 13.352 -12.304 4.051 1.00 0.00 H new ATOM 0 HG23 VAL A 1 11.852 -11.797 4.863 1.00 0.00 H new ATOM 19 N ASP A 2 10.715 -13.646 7.249 1.00 0.00 N ATOM 20 CA ASP A 2 9.259 -13.594 7.383 1.00 0.00 C ATOM 21 C ASP A 2 8.673 -12.530 6.459 1.00 0.00 C ATOM 22 O ASP A 2 9.281 -11.479 6.250 1.00 0.00 O ATOM 23 CB ASP A 2 8.881 -13.272 8.834 1.00 0.00 C ATOM 24 CG ASP A 2 9.449 -14.335 9.773 1.00 0.00 C ATOM 25 OD1 ASP A 2 8.924 -15.437 9.776 1.00 0.00 O ATOM 26 OD2 ASP A 2 10.403 -14.035 10.470 1.00 0.00 O ATOM 0 H ASP A 2 11.226 -13.350 8.081 1.00 0.00 H new ATOM 0 HA ASP A 2 8.852 -14.566 7.105 1.00 0.00 H new ATOM 0 HB2 ASP A 2 9.266 -12.290 9.109 1.00 0.00 H new ATOM 0 HB3 ASP A 2 7.796 -13.229 8.934 1.00 0.00 H new ATOM 31 N ASN A 3 7.490 -12.812 5.916 1.00 0.00 N ATOM 32 CA ASN A 3 6.811 -11.877 5.015 1.00 0.00 C ATOM 33 C ASN A 3 6.000 -10.854 5.813 1.00 0.00 C ATOM 34 O ASN A 3 5.201 -10.107 5.243 1.00 0.00 O ATOM 35 CB ASN A 3 5.884 -12.648 4.064 1.00 0.00 C ATOM 36 CG ASN A 3 6.688 -13.659 3.246 1.00 0.00 C ATOM 37 OD1 ASN A 3 7.761 -13.337 2.734 1.00 0.00 O ATOM 38 ND2 ASN A 3 6.230 -14.871 3.093 1.00 0.00 N ATOM 0 H ASN A 3 6.980 -13.680 6.083 1.00 0.00 H new ATOM 0 HA ASN A 3 7.565 -11.347 4.433 1.00 0.00 H new ATOM 0 HB2 ASN A 3 5.112 -13.164 4.636 1.00 0.00 H new ATOM 0 HB3 ASN A 3 5.375 -11.952 3.397 1.00 0.00 H new ATOM 0 HD21 ASN A 3 6.760 -15.552 2.549 1.00 0.00 H new ATOM 0 HD22 ASN A 3 5.341 -15.138 3.517 1.00 0.00 H new ATOM 45 N LYS A 4 6.202 -10.833 7.134 1.00 0.00 N ATOM 46 CA LYS A 4 5.476 -9.906 8.002 1.00 0.00 C ATOM 47 C LYS A 4 5.704 -8.456 7.572 1.00 0.00 C ATOM 48 O LYS A 4 4.759 -7.678 7.502 1.00 0.00 O ATOM 49 CB LYS A 4 5.898 -10.100 9.468 1.00 0.00 C ATOM 50 CG LYS A 4 7.377 -9.735 9.664 1.00 0.00 C ATOM 51 CD LYS A 4 7.824 -10.154 11.072 1.00 0.00 C ATOM 52 CE LYS A 4 7.197 -9.231 12.128 1.00 0.00 C ATOM 53 NZ LYS A 4 7.562 -7.812 11.845 1.00 0.00 N ATOM 0 H LYS A 4 6.858 -11.443 7.621 1.00 0.00 H new ATOM 0 HA LYS A 4 4.412 -10.124 7.911 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.277 -9.480 10.115 1.00 0.00 H new ATOM 0 HB3 LYS A 4 5.732 -11.136 9.765 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.989 -10.234 8.913 1.00 0.00 H new ATOM 0 HG3 LYS A 4 7.519 -8.663 9.529 1.00 0.00 H new ATOM 0 HD2 LYS A 4 7.531 -11.187 11.262 1.00 0.00 H new ATOM 0 HD3 LYS A 4 8.911 -10.113 11.143 1.00 0.00 H new ATOM 0 HE2 LYS A 4 6.113 -9.344 12.125 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.544 -9.513 13.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 7.587 -7.276 12.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 8.499 -7.778 11.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 6.855 -7.392 11.208 1.00 0.00 H new ATOM 67 N PHE A 5 6.959 -8.104 7.277 1.00 0.00 N ATOM 68 CA PHE A 5 7.290 -6.750 6.853 1.00 0.00 C ATOM 69 C PHE A 5 6.502 -6.384 5.597 1.00 0.00 C ATOM 70 O PHE A 5 6.021 -5.267 5.478 1.00 0.00 O ATOM 71 CB PHE A 5 8.804 -6.611 6.608 1.00 0.00 C ATOM 72 CG PHE A 5 9.178 -7.152 5.241 1.00 0.00 C ATOM 73 CD1 PHE A 5 9.285 -8.533 5.041 1.00 0.00 C ATOM 74 CD2 PHE A 5 9.414 -6.271 4.176 1.00 0.00 C ATOM 75 CE1 PHE A 5 9.626 -9.034 3.780 1.00 0.00 C ATOM 76 CE2 PHE A 5 9.756 -6.773 2.916 1.00 0.00 C ATOM 77 CZ PHE A 5 9.862 -8.155 2.717 1.00 0.00 C ATOM 0 H PHE A 5 7.756 -8.739 7.325 1.00 0.00 H new ATOM 0 HA PHE A 5 7.013 -6.059 7.649 1.00 0.00 H new ATOM 0 HB2 PHE A 5 9.095 -5.563 6.682 1.00 0.00 H new ATOM 0 HB3 PHE A 5 9.353 -7.149 7.380 1.00 0.00 H new ATOM 0 HD1 PHE A 5 9.104 -9.213 5.861 1.00 0.00 H new ATOM 0 HD2 PHE A 5 9.332 -5.205 4.329 1.00 0.00 H new ATOM 0 HE1 PHE A 5 9.707 -10.100 3.627 1.00 0.00 H new ATOM 0 HE2 PHE A 5 9.938 -6.094 2.096 1.00 0.00 H new ATOM 0 HZ PHE A 5 10.126 -8.542 1.744 1.00 0.00 H new ATOM 87 N ASN A 6 6.363 -7.347 4.678 1.00 0.00 N ATOM 88 CA ASN A 6 5.604 -7.123 3.448 1.00 0.00 C ATOM 89 C ASN A 6 4.135 -6.952 3.779 1.00 0.00 C ATOM 90 O ASN A 6 3.470 -6.047 3.277 1.00 0.00 O ATOM 91 CB ASN A 6 5.745 -8.321 2.513 1.00 0.00 C ATOM 92 CG ASN A 6 4.906 -8.111 1.259 1.00 0.00 C ATOM 93 OD1 ASN A 6 5.100 -7.141 0.542 1.00 0.00 O ATOM 94 ND2 ASN A 6 3.967 -8.965 0.965 1.00 0.00 N ATOM 0 H ASN A 6 6.764 -8.281 4.764 1.00 0.00 H new ATOM 0 HA ASN A 6 5.992 -6.227 2.963 1.00 0.00 H new ATOM 0 HB2 ASN A 6 6.792 -8.458 2.241 1.00 0.00 H new ATOM 0 HB3 ASN A 6 5.427 -9.230 3.024 1.00 0.00 H new ATOM 0 HD21 ASN A 6 3.392 -8.825 0.134 1.00 0.00 H new ATOM 0 HD22 ASN A 6 3.807 -9.774 1.565 1.00 0.00 H new ATOM 101 N LYS A 7 3.650 -7.831 4.646 1.00 0.00 N ATOM 102 CA LYS A 7 2.271 -7.799 5.072 1.00 0.00 C ATOM 103 C LYS A 7 2.015 -6.451 5.726 1.00 0.00 C ATOM 104 O LYS A 7 1.001 -5.802 5.492 1.00 0.00 O ATOM 105 CB LYS A 7 2.032 -8.948 6.067 1.00 0.00 C ATOM 106 CG LYS A 7 0.530 -9.192 6.247 1.00 0.00 C ATOM 107 CD LYS A 7 0.293 -10.517 6.990 1.00 0.00 C ATOM 108 CE LYS A 7 -0.184 -11.587 6.002 1.00 0.00 C ATOM 109 NZ LYS A 7 -0.554 -12.822 6.749 1.00 0.00 N ATOM 0 H LYS A 7 4.202 -8.578 5.067 1.00 0.00 H new ATOM 0 HA LYS A 7 1.591 -7.926 4.230 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.514 -9.857 5.706 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.486 -8.706 7.028 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.085 -8.369 6.806 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.039 -9.219 5.274 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.213 -10.842 7.476 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.450 -10.377 7.775 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.041 -11.220 5.437 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.602 -11.807 5.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -0.910 -13.537 6.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.283 -13.194 7.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.294 -12.598 7.445 1.00 0.00 H new ATOM 123 N GLU A 8 2.981 -6.036 6.531 1.00 0.00 N ATOM 124 CA GLU A 8 2.903 -4.763 7.221 1.00 0.00 C ATOM 125 C GLU A 8 3.119 -3.587 6.266 1.00 0.00 C ATOM 126 O GLU A 8 2.441 -2.574 6.358 1.00 0.00 O ATOM 127 CB GLU A 8 3.934 -4.732 8.351 1.00 0.00 C ATOM 128 CG GLU A 8 3.527 -5.713 9.460 1.00 0.00 C ATOM 129 CD GLU A 8 4.691 -5.920 10.431 1.00 0.00 C ATOM 130 OE1 GLU A 8 5.580 -6.693 10.105 1.00 0.00 O ATOM 131 OE2 GLU A 8 4.680 -5.305 11.484 1.00 0.00 O ATOM 0 H GLU A 8 3.831 -6.567 6.721 1.00 0.00 H new ATOM 0 HA GLU A 8 1.901 -4.660 7.638 1.00 0.00 H new ATOM 0 HB2 GLU A 8 4.918 -4.996 7.964 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.011 -3.723 8.757 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.660 -5.328 9.996 1.00 0.00 H new ATOM 0 HG3 GLU A 8 3.234 -6.667 9.023 1.00 0.00 H new ATOM 138 N LEU A 9 4.047 -3.759 5.331 1.00 0.00 N ATOM 139 CA LEU A 9 4.344 -2.737 4.315 1.00 0.00 C ATOM 140 C LEU A 9 3.081 -2.478 3.531 1.00 0.00 C ATOM 141 O LEU A 9 2.763 -1.340 3.205 1.00 0.00 O ATOM 142 CB LEU A 9 5.477 -3.245 3.401 1.00 0.00 C ATOM 143 CG LEU A 9 5.636 -2.360 2.147 1.00 0.00 C ATOM 144 CD1 LEU A 9 6.476 -1.112 2.418 1.00 0.00 C ATOM 145 CD2 LEU A 9 6.328 -3.160 1.063 1.00 0.00 C ATOM 0 H LEU A 9 4.615 -4.602 5.250 1.00 0.00 H new ATOM 0 HA LEU A 9 4.676 -1.806 4.776 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.414 -3.261 3.957 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.269 -4.271 3.099 1.00 0.00 H new ATOM 0 HG LEU A 9 4.638 -2.045 1.844 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.558 -0.523 1.504 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.999 -0.514 3.194 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.471 -1.408 2.749 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.444 -2.542 0.173 1.00 0.00 H new ATOM 0 HD22 LEU A 9 7.309 -3.477 1.415 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.729 -4.037 0.820 1.00 0.00 H new ATOM 157 N GLY A 10 2.336 -3.537 3.273 1.00 0.00 N ATOM 158 CA GLY A 10 1.101 -3.400 2.577 1.00 0.00 C ATOM 159 C GLY A 10 0.056 -2.805 3.493 1.00 0.00 C ATOM 160 O GLY A 10 -0.760 -1.982 3.087 1.00 0.00 O ATOM 0 H GLY A 10 2.576 -4.492 3.540 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.235 -2.763 1.703 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.768 -4.373 2.215 1.00 0.00 H new ATOM 164 N TRP A 11 0.055 -3.254 4.735 1.00 0.00 N ATOM 165 CA TRP A 11 -0.927 -2.766 5.669 1.00 0.00 C ATOM 166 C TRP A 11 -0.732 -1.343 6.078 1.00 0.00 C ATOM 167 O TRP A 11 -1.681 -0.562 6.030 1.00 0.00 O ATOM 168 CB TRP A 11 -1.066 -3.665 6.873 1.00 0.00 C ATOM 169 CG TRP A 11 -2.528 -3.739 7.221 1.00 0.00 C ATOM 170 CD1 TRP A 11 -2.994 -3.831 8.467 1.00 0.00 C ATOM 171 CD2 TRP A 11 -3.716 -3.700 6.339 1.00 0.00 C ATOM 172 NE1 TRP A 11 -4.376 -3.882 8.431 1.00 0.00 N ATOM 173 CE2 TRP A 11 -4.864 -3.794 7.145 1.00 0.00 C ATOM 174 CE3 TRP A 11 -3.909 -3.603 4.938 1.00 0.00 C ATOM 175 CZ2 TRP A 11 -6.146 -3.787 6.596 1.00 0.00 C ATOM 176 CZ3 TRP A 11 -5.182 -3.594 4.382 1.00 0.00 C ATOM 177 CH2 TRP A 11 -6.308 -3.684 5.208 1.00 0.00 C ATOM 0 H TRP A 11 0.710 -3.941 5.109 1.00 0.00 H new ATOM 0 HA TRP A 11 -1.866 -2.790 5.117 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -0.674 -4.658 6.656 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -0.492 -3.272 7.712 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -2.389 -3.861 9.361 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -4.965 -3.974 9.259 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -3.048 -3.535 4.289 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -7.011 -3.861 7.238 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -5.303 -3.517 3.312 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -7.298 -3.674 4.777 1.00 0.00 H new ATOM 188 N ALA A 12 0.465 -0.990 6.478 1.00 0.00 N ATOM 189 CA ALA A 12 0.697 0.366 6.879 1.00 0.00 C ATOM 190 C ALA A 12 0.315 1.274 5.708 1.00 0.00 C ATOM 191 O ALA A 12 -0.305 2.312 5.896 1.00 0.00 O ATOM 192 CB ALA A 12 2.153 0.549 7.294 1.00 0.00 C ATOM 0 H ALA A 12 1.273 -1.610 6.533 1.00 0.00 H new ATOM 0 HA ALA A 12 0.088 0.627 7.745 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.318 1.583 7.597 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.379 -0.114 8.129 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.804 0.309 6.453 1.00 0.00 H new ATOM 198 N THR A 13 0.619 0.811 4.487 1.00 0.00 N ATOM 199 CA THR A 13 0.245 1.525 3.269 1.00 0.00 C ATOM 200 C THR A 13 -1.259 1.751 3.248 1.00 0.00 C ATOM 201 O THR A 13 -1.715 2.860 2.992 1.00 0.00 O ATOM 202 CB THR A 13 0.668 0.677 2.073 1.00 0.00 C ATOM 203 OG1 THR A 13 2.060 0.794 1.911 1.00 0.00 O ATOM 204 CG2 THR A 13 -0.038 1.124 0.797 1.00 0.00 C ATOM 0 H THR A 13 1.125 -0.059 4.322 1.00 0.00 H new ATOM 0 HA THR A 13 0.739 2.496 3.230 1.00 0.00 H new ATOM 0 HB THR A 13 0.390 -0.360 2.260 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.481 -0.078 2.060 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.286 0.500 -0.036 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.116 1.028 0.925 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.211 2.164 0.589 1.00 0.00 H new ATOM 212 N TRP A 14 -2.005 0.689 3.542 1.00 0.00 N ATOM 213 CA TRP A 14 -3.465 0.744 3.575 1.00 0.00 C ATOM 214 C TRP A 14 -3.973 1.637 4.695 1.00 0.00 C ATOM 215 O TRP A 14 -4.878 2.437 4.502 1.00 0.00 O ATOM 216 CB TRP A 14 -4.001 -0.655 3.818 1.00 0.00 C ATOM 217 CG TRP A 14 -5.474 -0.695 3.583 1.00 0.00 C ATOM 218 CD1 TRP A 14 -6.416 -0.666 4.555 1.00 0.00 C ATOM 219 CD2 TRP A 14 -6.189 -0.793 2.324 1.00 0.00 C ATOM 220 NE1 TRP A 14 -7.660 -0.774 3.971 1.00 0.00 N ATOM 221 CE2 TRP A 14 -7.572 -0.853 2.600 1.00 0.00 C ATOM 222 CE3 TRP A 14 -5.781 -0.848 0.978 1.00 0.00 C ATOM 223 CZ2 TRP A 14 -8.504 -0.970 1.583 1.00 0.00 C ATOM 224 CZ3 TRP A 14 -6.716 -0.966 -0.032 1.00 0.00 C ATOM 225 CH2 TRP A 14 -8.065 -1.032 0.265 1.00 0.00 C ATOM 0 H TRP A 14 -1.618 -0.229 3.763 1.00 0.00 H new ATOM 0 HA TRP A 14 -3.805 1.149 2.622 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -3.501 -1.363 3.157 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -3.781 -0.963 4.840 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -6.224 -0.573 5.614 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -8.537 -0.793 4.491 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -4.730 -0.798 0.733 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -9.559 -1.013 1.810 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -6.391 -1.007 -1.061 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -8.784 -1.133 -0.534 1.00 0.00 H new ATOM 236 N GLU A 15 -3.393 1.468 5.874 1.00 0.00 N ATOM 237 CA GLU A 15 -3.800 2.239 7.036 1.00 0.00 C ATOM 238 C GLU A 15 -3.584 3.729 6.764 1.00 0.00 C ATOM 239 O GLU A 15 -4.422 4.561 7.116 1.00 0.00 O ATOM 240 CB GLU A 15 -3.008 1.746 8.249 1.00 0.00 C ATOM 241 CG GLU A 15 -3.408 0.284 8.547 1.00 0.00 C ATOM 242 CD GLU A 15 -2.439 -0.332 9.553 1.00 0.00 C ATOM 243 OE1 GLU A 15 -2.644 -0.140 10.740 1.00 0.00 O ATOM 244 OE2 GLU A 15 -1.506 -0.991 9.119 1.00 0.00 O ATOM 0 H GLU A 15 -2.639 0.804 6.050 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.861 2.102 7.245 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.938 1.811 8.052 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.212 2.377 9.114 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.424 0.250 8.941 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.405 -0.297 7.625 1.00 0.00 H new ATOM 251 N ILE A 16 -2.491 4.038 6.063 1.00 0.00 N ATOM 252 CA ILE A 16 -2.194 5.413 5.654 1.00 0.00 C ATOM 253 C ILE A 16 -3.202 5.815 4.567 1.00 0.00 C ATOM 254 O ILE A 16 -3.677 6.949 4.515 1.00 0.00 O ATOM 255 CB ILE A 16 -0.755 5.478 5.088 1.00 0.00 C ATOM 256 CG1 ILE A 16 0.265 5.137 6.185 1.00 0.00 C ATOM 257 CG2 ILE A 16 -0.443 6.879 4.544 1.00 0.00 C ATOM 258 CD1 ILE A 16 1.644 4.863 5.564 1.00 0.00 C ATOM 0 H ILE A 16 -1.796 3.353 5.766 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.270 6.092 6.503 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.685 4.753 4.277 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.335 5.961 6.895 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.070 4.263 6.744 1.00 0.00 H new ATOM 0 HG21 ILE A 16 0.574 6.899 4.152 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.144 7.124 3.746 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.537 7.610 5.347 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.357 4.623 6.353 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.571 4.024 4.872 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.983 5.748 5.026 1.00 0.00 H new ATOM 270 N PHE A 17 -3.514 4.834 3.717 1.00 0.00 N ATOM 271 CA PHE A 17 -4.465 4.986 2.611 1.00 0.00 C ATOM 272 C PHE A 17 -5.868 5.292 3.146 1.00 0.00 C ATOM 273 O PHE A 17 -6.628 6.050 2.541 1.00 0.00 O ATOM 274 CB PHE A 17 -4.504 3.653 1.847 1.00 0.00 C ATOM 275 CG PHE A 17 -4.778 3.834 0.376 1.00 0.00 C ATOM 276 CD1 PHE A 17 -3.715 4.069 -0.507 1.00 0.00 C ATOM 277 CD2 PHE A 17 -6.080 3.705 -0.110 1.00 0.00 C ATOM 278 CE1 PHE A 17 -3.960 4.181 -1.874 1.00 0.00 C ATOM 279 CE2 PHE A 17 -6.326 3.808 -1.480 1.00 0.00 C ATOM 280 CZ PHE A 17 -5.266 4.045 -2.361 1.00 0.00 C ATOM 0 H PHE A 17 -3.109 3.900 3.777 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.154 5.807 1.966 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.552 3.138 1.974 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.273 3.013 2.280 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.708 4.163 -0.128 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.897 3.526 0.574 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -3.145 4.372 -2.556 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.332 3.705 -1.859 1.00 0.00 H new ATOM 0 HZ PHE A 17 -5.455 4.123 -3.421 1.00 0.00 H new ATOM 290 N ASN A 18 -6.202 4.647 4.266 1.00 0.00 N ATOM 291 CA ASN A 18 -7.517 4.783 4.894 1.00 0.00 C ATOM 292 C ASN A 18 -7.568 5.904 5.936 1.00 0.00 C ATOM 293 O ASN A 18 -8.589 6.054 6.616 1.00 0.00 O ATOM 294 CB ASN A 18 -7.900 3.453 5.565 1.00 0.00 C ATOM 295 CG ASN A 18 -8.179 2.372 4.519 1.00 0.00 C ATOM 296 OD1 ASN A 18 -9.208 1.701 4.581 1.00 0.00 O ATOM 297 ND2 ASN A 18 -7.320 2.157 3.563 1.00 0.00 N ATOM 0 H ASN A 18 -5.570 4.018 4.761 1.00 0.00 H new ATOM 0 HA ASN A 18 -8.224 5.042 4.105 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -7.094 3.128 6.223 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -8.782 3.597 6.189 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -7.501 1.433 2.868 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -6.466 2.713 3.510 1.00 0.00 H new ATOM 304 N LEU A 19 -6.497 6.695 6.075 1.00 0.00 N ATOM 305 CA LEU A 19 -6.519 7.774 7.061 1.00 0.00 C ATOM 306 C LEU A 19 -7.499 8.860 6.612 1.00 0.00 C ATOM 307 O LEU A 19 -7.515 9.230 5.437 1.00 0.00 O ATOM 308 CB LEU A 19 -5.128 8.368 7.276 1.00 0.00 C ATOM 309 CG LEU A 19 -4.453 7.695 8.485 1.00 0.00 C ATOM 310 CD1 LEU A 19 -3.061 8.255 8.635 1.00 0.00 C ATOM 311 CD2 LEU A 19 -5.217 7.984 9.780 1.00 0.00 C ATOM 0 H LEU A 19 -5.635 6.612 5.537 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.847 7.359 8.014 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.520 8.225 6.383 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.203 9.443 7.442 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.438 6.619 8.312 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.570 7.787 9.488 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.488 8.052 7.731 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.117 9.332 8.795 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.715 7.495 10.615 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.246 9.060 9.953 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.235 7.603 9.695 1.00 0.00 H new ATOM 323 N PRO A 20 -8.340 9.346 7.501 1.00 0.00 N ATOM 324 CA PRO A 20 -9.371 10.369 7.167 1.00 0.00 C ATOM 325 C PRO A 20 -8.874 11.818 7.032 1.00 0.00 C ATOM 326 O PRO A 20 -9.717 12.718 6.976 1.00 0.00 O ATOM 327 CB PRO A 20 -10.381 10.259 8.330 1.00 0.00 C ATOM 328 CG PRO A 20 -9.895 9.177 9.235 1.00 0.00 C ATOM 329 CD PRO A 20 -8.425 8.990 8.926 1.00 0.00 C ATOM 0 HA PRO A 20 -9.774 10.163 6.175 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -10.455 11.205 8.866 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -11.377 10.027 7.954 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -10.041 9.450 10.280 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.448 8.253 9.067 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -7.798 9.635 9.541 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -8.102 7.965 9.106 1.00 0.00 H new ATOM 337 N ASN A 21 -7.552 12.084 6.981 1.00 0.00 N ATOM 338 CA ASN A 21 -7.126 13.501 6.861 1.00 0.00 C ATOM 339 C ASN A 21 -5.887 13.707 5.990 1.00 0.00 C ATOM 340 O ASN A 21 -5.480 14.850 5.765 1.00 0.00 O ATOM 341 CB ASN A 21 -6.880 14.114 8.248 1.00 0.00 C ATOM 342 CG ASN A 21 -8.159 14.108 9.083 1.00 0.00 C ATOM 343 OD1 ASN A 21 -9.129 14.784 8.740 1.00 0.00 O ATOM 344 ND2 ASN A 21 -8.218 13.388 10.168 1.00 0.00 N ATOM 0 H ASN A 21 -6.803 11.392 7.018 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.951 14.009 6.362 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.101 13.553 8.765 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.517 15.136 8.139 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -9.068 13.385 10.732 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -7.415 12.828 10.453 1.00 0.00 H new ATOM 351 N LEU A 22 -5.293 12.630 5.492 1.00 0.00 N ATOM 352 CA LEU A 22 -4.107 12.759 4.641 1.00 0.00 C ATOM 353 C LEU A 22 -4.498 13.082 3.210 1.00 0.00 C ATOM 354 O LEU A 22 -5.557 12.657 2.740 1.00 0.00 O ATOM 355 CB LEU A 22 -3.299 11.466 4.663 1.00 0.00 C ATOM 356 CG LEU A 22 -2.892 11.147 6.100 1.00 0.00 C ATOM 357 CD1 LEU A 22 -2.131 9.838 6.134 1.00 0.00 C ATOM 358 CD2 LEU A 22 -1.986 12.245 6.651 1.00 0.00 C ATOM 0 H LEU A 22 -5.602 11.672 5.656 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.501 13.576 5.033 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.890 10.648 4.250 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.413 11.567 4.036 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.795 11.077 6.707 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.841 9.612 7.160 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.765 9.038 5.752 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.238 9.920 5.515 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.704 12.004 7.676 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.089 12.319 6.036 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.517 13.197 6.635 1.00 0.00 H new ATOM 370 N ASN A 23 -3.627 13.816 2.510 1.00 0.00 N ATOM 371 CA ASN A 23 -3.892 14.162 1.119 1.00 0.00 C ATOM 372 C ASN A 23 -3.165 13.176 0.215 1.00 0.00 C ATOM 373 O ASN A 23 -2.276 12.450 0.669 1.00 0.00 O ATOM 374 CB ASN A 23 -3.480 15.617 0.817 1.00 0.00 C ATOM 375 CG ASN A 23 -1.961 15.784 0.754 1.00 0.00 C ATOM 376 OD1 ASN A 23 -1.226 15.091 1.444 1.00 0.00 O ATOM 377 ND2 ASN A 23 -1.451 16.680 -0.042 1.00 0.00 N ATOM 0 H ASN A 23 -2.747 14.175 2.881 1.00 0.00 H new ATOM 0 HA ASN A 23 -4.963 14.094 0.929 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -3.918 15.928 -0.132 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.885 16.275 1.586 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.440 16.803 -0.090 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -2.063 17.258 -0.618 1.00 0.00 H new ATOM 384 N GLY A 24 -3.565 13.137 -1.051 1.00 0.00 N ATOM 385 CA GLY A 24 -2.971 12.212 -2.011 1.00 0.00 C ATOM 386 C GLY A 24 -1.445 12.217 -1.954 1.00 0.00 C ATOM 387 O GLY A 24 -0.822 11.172 -2.106 1.00 0.00 O ATOM 0 H GLY A 24 -4.297 13.734 -1.437 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.336 11.204 -1.814 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.296 12.478 -3.017 1.00 0.00 H new ATOM 391 N VAL A 25 -0.850 13.389 -1.736 1.00 0.00 N ATOM 392 CA VAL A 25 0.607 13.498 -1.678 1.00 0.00 C ATOM 393 C VAL A 25 1.181 12.875 -0.413 1.00 0.00 C ATOM 394 O VAL A 25 2.128 12.096 -0.500 1.00 0.00 O ATOM 395 CB VAL A 25 1.030 14.961 -1.798 1.00 0.00 C ATOM 396 CG1 VAL A 25 2.550 15.077 -1.626 1.00 0.00 C ATOM 397 CG2 VAL A 25 0.639 15.462 -3.191 1.00 0.00 C ATOM 0 H VAL A 25 -1.348 14.268 -1.598 1.00 0.00 H new ATOM 0 HA VAL A 25 1.012 12.938 -2.521 1.00 0.00 H new ATOM 0 HB VAL A 25 0.539 15.555 -1.028 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.847 16.122 -1.712 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.835 14.699 -0.644 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.049 14.493 -2.399 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.933 16.506 -3.298 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.145 14.863 -3.948 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.440 15.373 -3.320 1.00 0.00 H new ATOM 407 N GLN A 26 0.625 13.204 0.758 1.00 0.00 N ATOM 408 CA GLN A 26 1.143 12.633 1.992 1.00 0.00 C ATOM 409 C GLN A 26 1.002 11.122 1.973 1.00 0.00 C ATOM 410 O GLN A 26 1.940 10.409 2.321 1.00 0.00 O ATOM 411 CB GLN A 26 0.435 13.228 3.206 1.00 0.00 C ATOM 412 CG GLN A 26 1.272 14.401 3.745 1.00 0.00 C ATOM 413 CD GLN A 26 0.360 15.476 4.295 1.00 0.00 C ATOM 414 OE1 GLN A 26 0.226 16.551 3.712 1.00 0.00 O ATOM 415 NE2 GLN A 26 -0.281 15.239 5.388 1.00 0.00 N ATOM 0 H GLN A 26 -0.161 13.844 0.871 1.00 0.00 H new ATOM 0 HA GLN A 26 2.202 12.880 2.068 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.562 13.572 2.930 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.308 12.469 3.978 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.946 14.049 4.526 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.893 14.811 2.949 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -0.164 14.345 5.864 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.906 15.946 5.776 1.00 0.00 H new ATOM 424 N VAL A 27 -0.155 10.636 1.524 1.00 0.00 N ATOM 425 CA VAL A 27 -0.373 9.194 1.438 1.00 0.00 C ATOM 426 C VAL A 27 0.637 8.591 0.463 1.00 0.00 C ATOM 427 O VAL A 27 1.272 7.578 0.759 1.00 0.00 O ATOM 428 CB VAL A 27 -1.805 8.885 0.980 1.00 0.00 C ATOM 429 CG1 VAL A 27 -2.002 7.367 0.921 1.00 0.00 C ATOM 430 CG2 VAL A 27 -2.811 9.481 1.975 1.00 0.00 C ATOM 0 H VAL A 27 -0.942 11.208 1.219 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.235 8.754 2.426 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.967 9.321 -0.006 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.018 7.144 0.596 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.292 6.935 0.215 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.836 6.940 1.910 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.825 9.258 1.644 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.648 9.047 2.962 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.675 10.561 2.027 1.00 0.00 H new ATOM 440 N LYS A 28 0.799 9.253 -0.686 1.00 0.00 N ATOM 441 CA LYS A 28 1.758 8.816 -1.698 1.00 0.00 C ATOM 442 C LYS A 28 3.176 8.857 -1.132 1.00 0.00 C ATOM 443 O LYS A 28 4.005 8.021 -1.471 1.00 0.00 O ATOM 444 CB LYS A 28 1.677 9.707 -2.953 1.00 0.00 C ATOM 445 CG LYS A 28 0.482 9.296 -3.831 1.00 0.00 C ATOM 446 CD LYS A 28 0.166 10.410 -4.845 1.00 0.00 C ATOM 447 CE LYS A 28 1.205 10.418 -5.975 1.00 0.00 C ATOM 448 NZ LYS A 28 2.484 11.008 -5.485 1.00 0.00 N ATOM 0 H LYS A 28 0.277 10.093 -0.936 1.00 0.00 H new ATOM 0 HA LYS A 28 1.510 7.793 -1.980 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.577 10.752 -2.658 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.601 9.624 -3.525 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.708 8.368 -4.356 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.390 9.104 -3.206 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.831 10.260 -5.260 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.160 11.377 -4.342 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.376 9.402 -6.331 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.830 10.993 -6.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.823 11.717 -6.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.326 11.462 -4.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.196 10.257 -5.383 1.00 0.00 H new ATOM 462 N ALA A 29 3.435 9.845 -0.273 1.00 0.00 N ATOM 463 CA ALA A 29 4.742 10.017 0.342 1.00 0.00 C ATOM 464 C ALA A 29 5.005 8.926 1.343 1.00 0.00 C ATOM 465 O ALA A 29 6.095 8.360 1.382 1.00 0.00 O ATOM 466 CB ALA A 29 4.813 11.354 1.056 1.00 0.00 C ATOM 0 H ALA A 29 2.746 10.541 0.011 1.00 0.00 H new ATOM 0 HA ALA A 29 5.492 9.976 -0.448 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.796 11.471 1.512 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.647 12.158 0.339 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.047 11.394 1.830 1.00 0.00 H new ATOM 472 N PHE A 30 3.991 8.624 2.143 1.00 0.00 N ATOM 473 CA PHE A 30 4.113 7.588 3.119 1.00 0.00 C ATOM 474 C PHE A 30 4.326 6.291 2.372 1.00 0.00 C ATOM 475 O PHE A 30 5.147 5.466 2.770 1.00 0.00 O ATOM 476 CB PHE A 30 2.872 7.544 4.009 1.00 0.00 C ATOM 477 CG PHE A 30 2.741 8.843 4.792 1.00 0.00 C ATOM 478 CD1 PHE A 30 3.852 9.376 5.475 1.00 0.00 C ATOM 479 CD2 PHE A 30 1.509 9.527 4.836 1.00 0.00 C ATOM 480 CE1 PHE A 30 3.727 10.566 6.185 1.00 0.00 C ATOM 481 CE2 PHE A 30 1.399 10.715 5.552 1.00 0.00 C ATOM 482 CZ PHE A 30 2.504 11.231 6.224 1.00 0.00 C ATOM 0 H PHE A 30 3.083 9.089 2.124 1.00 0.00 H new ATOM 0 HA PHE A 30 4.958 7.768 3.783 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.983 7.388 3.398 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.938 6.701 4.697 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.801 8.861 5.447 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.651 9.129 4.314 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.580 10.975 6.707 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.455 11.238 5.587 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.412 12.153 6.779 1.00 0.00 H new ATOM 492 N ILE A 31 3.637 6.164 1.226 1.00 0.00 N ATOM 493 CA ILE A 31 3.820 5.005 0.379 1.00 0.00 C ATOM 494 C ILE A 31 5.246 5.005 -0.125 1.00 0.00 C ATOM 495 O ILE A 31 5.933 4.012 -0.026 1.00 0.00 O ATOM 496 CB ILE A 31 2.836 4.997 -0.816 1.00 0.00 C ATOM 497 CG1 ILE A 31 1.474 4.450 -0.338 1.00 0.00 C ATOM 498 CG2 ILE A 31 3.394 4.121 -1.972 1.00 0.00 C ATOM 499 CD1 ILE A 31 0.426 4.547 -1.452 1.00 0.00 C ATOM 0 H ILE A 31 2.961 6.846 0.880 1.00 0.00 H new ATOM 0 HA ILE A 31 3.616 4.109 0.965 1.00 0.00 H new ATOM 0 HB ILE A 31 2.711 6.013 -1.192 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.584 3.412 -0.026 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.137 5.011 0.534 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.690 4.126 -2.804 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.351 4.523 -2.304 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.532 3.099 -1.620 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.525 4.156 -1.092 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.302 5.590 -1.745 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.755 3.965 -2.313 1.00 0.00 H new ATOM 511 N ASP A 32 5.675 6.143 -0.648 1.00 0.00 N ATOM 512 CA ASP A 32 7.027 6.275 -1.180 1.00 0.00 C ATOM 513 C ASP A 32 8.071 5.918 -0.134 1.00 0.00 C ATOM 514 O ASP A 32 9.049 5.230 -0.427 1.00 0.00 O ATOM 515 CB ASP A 32 7.253 7.705 -1.698 1.00 0.00 C ATOM 516 CG ASP A 32 6.632 7.878 -3.088 1.00 0.00 C ATOM 517 OD1 ASP A 32 6.905 7.055 -3.948 1.00 0.00 O ATOM 518 OD2 ASP A 32 5.900 8.838 -3.275 1.00 0.00 O ATOM 0 H ASP A 32 5.109 6.989 -0.717 1.00 0.00 H new ATOM 0 HA ASP A 32 7.135 5.575 -2.009 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.813 8.423 -1.005 1.00 0.00 H new ATOM 0 HB3 ASP A 32 8.321 7.917 -1.742 1.00 0.00 H new ATOM 523 N SER A 33 7.830 6.362 1.082 1.00 0.00 N ATOM 524 CA SER A 33 8.721 6.072 2.197 1.00 0.00 C ATOM 525 C SER A 33 8.674 4.575 2.513 1.00 0.00 C ATOM 526 O SER A 33 9.686 3.956 2.835 1.00 0.00 O ATOM 527 CB SER A 33 8.292 6.897 3.406 1.00 0.00 C ATOM 528 OG SER A 33 8.400 8.279 3.091 1.00 0.00 O ATOM 0 H SER A 33 7.019 6.930 1.329 1.00 0.00 H new ATOM 0 HA SER A 33 9.746 6.336 1.938 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.266 6.654 3.682 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.918 6.658 4.265 1.00 0.00 H new ATOM 0 HG SER A 33 7.683 8.530 2.472 1.00 0.00 H new ATOM 534 N LEU A 34 7.473 4.016 2.381 1.00 0.00 N ATOM 535 CA LEU A 34 7.215 2.590 2.601 1.00 0.00 C ATOM 536 C LEU A 34 8.013 1.749 1.602 1.00 0.00 C ATOM 537 O LEU A 34 8.757 0.851 1.989 1.00 0.00 O ATOM 538 CB LEU A 34 5.718 2.375 2.380 1.00 0.00 C ATOM 539 CG LEU A 34 4.971 2.232 3.702 1.00 0.00 C ATOM 540 CD1 LEU A 34 3.744 3.142 3.723 1.00 0.00 C ATOM 541 CD2 LEU A 34 4.521 0.795 3.837 1.00 0.00 C ATOM 0 H LEU A 34 6.641 4.544 2.116 1.00 0.00 H new ATOM 0 HA LEU A 34 7.514 2.290 3.605 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.308 3.215 1.819 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.563 1.481 1.775 1.00 0.00 H new ATOM 0 HG LEU A 34 5.629 2.513 4.524 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.222 3.028 4.673 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.058 4.179 3.604 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.075 2.870 2.907 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.984 0.669 4.777 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.863 0.540 3.006 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.391 0.139 3.826 1.00 0.00 H new ATOM 553 N ARG A 35 7.862 2.068 0.322 1.00 0.00 N ATOM 554 CA ARG A 35 8.592 1.347 -0.743 1.00 0.00 C ATOM 555 C ARG A 35 10.096 1.543 -0.555 1.00 0.00 C ATOM 556 O ARG A 35 10.876 0.594 -0.646 1.00 0.00 O ATOM 557 CB ARG A 35 8.210 1.850 -2.157 1.00 0.00 C ATOM 558 CG ARG A 35 7.010 2.792 -2.081 1.00 0.00 C ATOM 559 CD ARG A 35 6.440 3.179 -3.454 1.00 0.00 C ATOM 560 NE ARG A 35 7.174 2.558 -4.538 1.00 0.00 N ATOM 561 CZ ARG A 35 6.732 1.462 -5.130 1.00 0.00 C ATOM 562 NH1 ARG A 35 6.163 0.529 -4.423 1.00 0.00 N ATOM 563 NH2 ARG A 35 6.852 1.328 -6.416 1.00 0.00 N ATOM 0 H ARG A 35 7.250 2.812 -0.013 1.00 0.00 H new ATOM 0 HA ARG A 35 8.319 0.295 -0.665 1.00 0.00 H new ATOM 0 HB2 ARG A 35 9.058 2.366 -2.608 1.00 0.00 H new ATOM 0 HB3 ARG A 35 7.975 1.002 -2.800 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.225 2.319 -1.492 1.00 0.00 H new ATOM 0 HG3 ARG A 35 7.304 3.698 -1.551 1.00 0.00 H new ATOM 0 HD2 ARG A 35 5.392 2.883 -3.509 1.00 0.00 H new ATOM 0 HD3 ARG A 35 6.472 4.263 -3.568 1.00 0.00 H new ATOM 0 HE ARG A 35 8.050 2.976 -4.851 1.00 0.00 H new ATOM 0 HH11 ARG A 35 6.059 0.645 -3.415 1.00 0.00 H new ATOM 0 HH12 ARG A 35 5.821 -0.318 -4.877 1.00 0.00 H new ATOM 0 HH21 ARG A 35 7.287 2.068 -6.967 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.512 0.483 -6.875 1.00 0.00 H new ATOM 577 N ASP A 36 10.478 2.793 -0.280 1.00 0.00 N ATOM 578 CA ASP A 36 11.876 3.150 -0.061 1.00 0.00 C ATOM 579 C ASP A 36 12.419 2.428 1.163 1.00 0.00 C ATOM 580 O ASP A 36 13.595 2.063 1.215 1.00 0.00 O ATOM 581 CB ASP A 36 12.001 4.657 0.140 1.00 0.00 C ATOM 582 CG ASP A 36 13.472 5.073 0.151 1.00 0.00 C ATOM 583 OD1 ASP A 36 14.011 5.306 -0.919 1.00 0.00 O ATOM 584 OD2 ASP A 36 14.039 5.149 1.230 1.00 0.00 O ATOM 0 H ASP A 36 9.831 3.578 -0.204 1.00 0.00 H new ATOM 0 HA ASP A 36 12.453 2.851 -0.936 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.474 5.182 -0.657 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.528 4.946 1.079 1.00 0.00 H new ATOM 589 N ASP A 37 11.542 2.237 2.144 1.00 0.00 N ATOM 590 CA ASP A 37 11.915 1.567 3.382 1.00 0.00 C ATOM 591 C ASP A 37 10.708 0.883 4.013 1.00 0.00 C ATOM 592 O ASP A 37 9.941 1.502 4.756 1.00 0.00 O ATOM 593 CB ASP A 37 12.537 2.576 4.366 1.00 0.00 C ATOM 594 CG ASP A 37 13.326 1.856 5.467 1.00 0.00 C ATOM 595 OD1 ASP A 37 12.939 0.758 5.844 1.00 0.00 O ATOM 596 OD2 ASP A 37 14.302 2.422 5.929 1.00 0.00 O ATOM 0 H ASP A 37 10.568 2.537 2.104 1.00 0.00 H new ATOM 0 HA ASP A 37 12.655 0.802 3.149 1.00 0.00 H new ATOM 0 HB2 ASP A 37 13.196 3.256 3.827 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.751 3.183 4.815 1.00 0.00 H new ATOM 601 N PRO A 38 10.530 -0.384 3.725 1.00 0.00 N ATOM 602 CA PRO A 38 9.399 -1.180 4.264 1.00 0.00 C ATOM 603 C PRO A 38 9.549 -1.510 5.747 1.00 0.00 C ATOM 604 O PRO A 38 8.564 -1.688 6.459 1.00 0.00 O ATOM 605 CB PRO A 38 9.379 -2.441 3.414 1.00 0.00 C ATOM 606 CG PRO A 38 10.477 -2.331 2.406 1.00 0.00 C ATOM 607 CD PRO A 38 11.387 -1.197 2.850 1.00 0.00 C ATOM 0 HA PRO A 38 8.466 -0.619 4.210 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.520 -3.324 4.037 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.415 -2.552 2.918 1.00 0.00 H new ATOM 0 HG2 PRO A 38 11.033 -3.266 2.340 1.00 0.00 H new ATOM 0 HG3 PRO A 38 10.070 -2.131 1.415 1.00 0.00 H new ATOM 0 HD2 PRO A 38 12.262 -1.571 3.382 1.00 0.00 H new ATOM 0 HD3 PRO A 38 11.753 -0.621 2.000 1.00 0.00 H new ATOM 615 N SER A 39 10.779 -1.569 6.222 1.00 0.00 N ATOM 616 CA SER A 39 11.007 -1.838 7.639 1.00 0.00 C ATOM 617 C SER A 39 10.538 -0.619 8.441 1.00 0.00 C ATOM 618 O SER A 39 10.361 -0.681 9.659 1.00 0.00 O ATOM 619 CB SER A 39 12.491 -2.122 7.912 1.00 0.00 C ATOM 620 OG SER A 39 13.223 -0.903 7.945 1.00 0.00 O ATOM 0 H SER A 39 11.623 -1.438 5.665 1.00 0.00 H new ATOM 0 HA SER A 39 10.445 -2.723 7.939 1.00 0.00 H new ATOM 0 HB2 SER A 39 12.600 -2.647 8.861 1.00 0.00 H new ATOM 0 HB3 SER A 39 12.893 -2.776 7.138 1.00 0.00 H new ATOM 0 HG SER A 39 13.194 -0.480 7.061 1.00 0.00 H new ATOM 626 N GLN A 40 10.350 0.488 7.713 1.00 0.00 N ATOM 627 CA GLN A 40 9.914 1.756 8.290 1.00 0.00 C ATOM 628 C GLN A 40 8.407 1.987 8.100 1.00 0.00 C ATOM 629 O GLN A 40 7.895 3.010 8.509 1.00 0.00 O ATOM 630 CB GLN A 40 10.690 2.890 7.598 1.00 0.00 C ATOM 631 CG GLN A 40 11.168 3.920 8.625 1.00 0.00 C ATOM 632 CD GLN A 40 11.824 5.099 7.914 1.00 0.00 C ATOM 633 OE1 GLN A 40 11.319 6.221 7.976 1.00 0.00 O ATOM 634 NE2 GLN A 40 12.920 4.911 7.232 1.00 0.00 N ATOM 0 H GLN A 40 10.498 0.525 6.704 1.00 0.00 H new ATOM 0 HA GLN A 40 10.111 1.735 9.362 1.00 0.00 H new ATOM 0 HB2 GLN A 40 11.545 2.479 7.062 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.053 3.375 6.858 1.00 0.00 H new ATOM 0 HG2 GLN A 40 10.325 4.268 9.223 1.00 0.00 H new ATOM 0 HG3 GLN A 40 11.877 3.459 9.312 1.00 0.00 H new ATOM 0 HE21 GLN A 40 13.336 3.981 7.182 1.00 0.00 H new ATOM 0 HE22 GLN A 40 13.361 5.694 6.749 1.00 0.00 H new ATOM 643 N SER A 41 7.715 1.056 7.453 1.00 0.00 N ATOM 644 CA SER A 41 6.277 1.208 7.159 1.00 0.00 C ATOM 645 C SER A 41 5.442 1.627 8.367 1.00 0.00 C ATOM 646 O SER A 41 4.538 2.454 8.237 1.00 0.00 O ATOM 647 CB SER A 41 5.723 -0.130 6.679 1.00 0.00 C ATOM 648 OG SER A 41 6.555 -0.645 5.665 1.00 0.00 O ATOM 0 H SER A 41 8.120 0.182 7.117 1.00 0.00 H new ATOM 0 HA SER A 41 6.205 1.994 6.407 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.667 -0.832 7.511 1.00 0.00 H new ATOM 0 HB3 SER A 41 4.708 -0.002 6.302 1.00 0.00 H new ATOM 0 HG SER A 41 7.153 -1.322 6.045 1.00 0.00 H new ATOM 654 N ALA A 42 5.741 1.063 9.527 1.00 0.00 N ATOM 655 CA ALA A 42 5.004 1.389 10.740 1.00 0.00 C ATOM 656 C ALA A 42 5.208 2.848 11.099 1.00 0.00 C ATOM 657 O ALA A 42 4.311 3.508 11.615 1.00 0.00 O ATOM 658 CB ALA A 42 5.514 0.529 11.885 1.00 0.00 C ATOM 0 H ALA A 42 6.487 0.379 9.655 1.00 0.00 H new ATOM 0 HA ALA A 42 3.944 1.202 10.569 1.00 0.00 H new ATOM 0 HB1 ALA A 42 4.964 0.771 12.795 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.369 -0.524 11.642 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.575 0.722 12.040 1.00 0.00 H new ATOM 664 N ASN A 43 6.413 3.319 10.820 1.00 0.00 N ATOM 665 CA ASN A 43 6.808 4.681 11.097 1.00 0.00 C ATOM 666 C ASN A 43 6.088 5.662 10.187 1.00 0.00 C ATOM 667 O ASN A 43 5.773 6.776 10.569 1.00 0.00 O ATOM 668 CB ASN A 43 8.302 4.779 10.852 1.00 0.00 C ATOM 669 CG ASN A 43 8.854 6.121 11.320 1.00 0.00 C ATOM 670 OD1 ASN A 43 8.500 6.609 12.394 1.00 0.00 O ATOM 671 ND2 ASN A 43 9.711 6.748 10.567 1.00 0.00 N ATOM 0 H ASN A 43 7.148 2.757 10.391 1.00 0.00 H new ATOM 0 HA ASN A 43 6.551 4.932 12.126 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.812 3.971 11.376 1.00 0.00 H new ATOM 0 HB3 ASN A 43 8.508 4.650 9.789 1.00 0.00 H new ATOM 0 HD21 ASN A 43 10.091 7.646 10.866 1.00 0.00 H new ATOM 0 HD22 ASN A 43 10.002 6.341 9.678 1.00 0.00 H new ATOM 678 N LEU A 44 5.870 5.213 8.974 1.00 0.00 N ATOM 679 CA LEU A 44 5.216 5.995 7.932 1.00 0.00 C ATOM 680 C LEU A 44 3.761 6.052 8.237 1.00 0.00 C ATOM 681 O LEU A 44 3.107 7.082 8.108 1.00 0.00 O ATOM 682 CB LEU A 44 5.524 5.312 6.610 1.00 0.00 C ATOM 683 CG LEU A 44 7.046 5.157 6.584 1.00 0.00 C ATOM 684 CD1 LEU A 44 7.503 4.244 5.469 1.00 0.00 C ATOM 685 CD2 LEU A 44 7.670 6.533 6.476 1.00 0.00 C ATOM 0 H LEU A 44 6.144 4.279 8.670 1.00 0.00 H new ATOM 0 HA LEU A 44 5.571 7.024 7.878 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.028 4.344 6.542 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.174 5.909 5.768 1.00 0.00 H new ATOM 0 HG LEU A 44 7.374 4.683 7.509 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.590 4.163 5.488 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.063 3.256 5.604 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.186 4.654 4.510 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.756 6.440 6.456 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.331 7.015 5.559 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.373 7.136 7.334 1.00 0.00 H new ATOM 697 N LEU A 45 3.305 4.935 8.740 1.00 0.00 N ATOM 698 CA LEU A 45 1.950 4.810 9.208 1.00 0.00 C ATOM 699 C LEU A 45 1.818 5.714 10.426 1.00 0.00 C ATOM 700 O LEU A 45 0.808 6.376 10.634 1.00 0.00 O ATOM 701 CB LEU A 45 1.671 3.347 9.567 1.00 0.00 C ATOM 702 CG LEU A 45 0.406 3.228 10.425 1.00 0.00 C ATOM 703 CD1 LEU A 45 -0.789 3.847 9.693 1.00 0.00 C ATOM 704 CD2 LEU A 45 0.149 1.748 10.705 1.00 0.00 C ATOM 0 H LEU A 45 3.863 4.086 8.837 1.00 0.00 H new ATOM 0 HA LEU A 45 1.228 5.105 8.447 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.554 2.760 8.656 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.522 2.932 10.107 1.00 0.00 H new ATOM 0 HG LEU A 45 0.541 3.764 11.365 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.682 3.757 10.312 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.589 4.900 9.496 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.948 3.325 8.749 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.748 1.644 11.315 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.011 1.218 9.763 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.001 1.325 11.237 1.00 0.00 H new ATOM 716 N ALA A 46 2.892 5.744 11.204 1.00 0.00 N ATOM 717 CA ALA A 46 2.964 6.572 12.395 1.00 0.00 C ATOM 718 C ALA A 46 2.918 8.033 12.005 1.00 0.00 C ATOM 719 O ALA A 46 2.183 8.837 12.582 1.00 0.00 O ATOM 720 CB ALA A 46 4.283 6.316 13.125 1.00 0.00 C ATOM 0 H ALA A 46 3.734 5.196 11.026 1.00 0.00 H new ATOM 0 HA ALA A 46 2.121 6.326 13.041 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.332 6.940 14.018 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.342 5.266 13.412 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.117 6.559 12.466 1.00 0.00 H new ATOM 726 N GLU A 47 3.713 8.341 10.995 1.00 0.00 N ATOM 727 CA GLU A 47 3.810 9.671 10.456 1.00 0.00 C ATOM 728 C GLU A 47 2.490 10.074 9.858 1.00 0.00 C ATOM 729 O GLU A 47 2.058 11.208 9.972 1.00 0.00 O ATOM 730 CB GLU A 47 4.844 9.666 9.342 1.00 0.00 C ATOM 731 CG GLU A 47 6.268 9.766 9.879 1.00 0.00 C ATOM 732 CD GLU A 47 6.436 11.001 10.772 1.00 0.00 C ATOM 733 OE1 GLU A 47 6.123 12.091 10.315 1.00 0.00 O ATOM 734 OE2 GLU A 47 6.874 10.838 11.898 1.00 0.00 O ATOM 0 H GLU A 47 4.313 7.662 10.527 1.00 0.00 H new ATOM 0 HA GLU A 47 4.088 10.364 11.250 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.741 8.752 8.757 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.652 10.500 8.667 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.510 8.867 10.447 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.971 9.816 9.047 1.00 0.00 H new ATOM 741 N ALA A 48 1.869 9.113 9.212 1.00 0.00 N ATOM 742 CA ALA A 48 0.608 9.323 8.572 1.00 0.00 C ATOM 743 C ALA A 48 -0.454 9.588 9.610 1.00 0.00 C ATOM 744 O ALA A 48 -1.215 10.541 9.493 1.00 0.00 O ATOM 745 CB ALA A 48 0.301 8.080 7.777 1.00 0.00 C ATOM 0 H ALA A 48 2.232 8.164 9.120 1.00 0.00 H new ATOM 0 HA ALA A 48 0.636 10.189 7.910 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.657 8.199 7.271 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.085 7.919 7.037 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.253 7.222 8.447 1.00 0.00 H new ATOM 751 N LYS A 49 -0.462 8.763 10.653 1.00 0.00 N ATOM 752 CA LYS A 49 -1.399 8.948 11.744 1.00 0.00 C ATOM 753 C LYS A 49 -1.152 10.313 12.355 1.00 0.00 C ATOM 754 O LYS A 49 -2.080 10.975 12.797 1.00 0.00 O ATOM 755 CB LYS A 49 -1.218 7.852 12.804 1.00 0.00 C ATOM 756 CG LYS A 49 -1.682 6.497 12.247 1.00 0.00 C ATOM 757 CD LYS A 49 -3.204 6.359 12.395 1.00 0.00 C ATOM 758 CE LYS A 49 -3.690 5.109 11.650 1.00 0.00 C ATOM 759 NZ LYS A 49 -3.064 3.893 12.246 1.00 0.00 N ATOM 0 H LYS A 49 0.167 7.967 10.761 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.420 8.883 11.368 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.171 7.792 13.102 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.790 8.102 13.698 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.402 6.411 11.197 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.182 5.687 12.778 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -3.471 6.291 13.450 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -3.699 7.245 11.997 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -4.776 5.037 11.710 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -3.433 5.181 10.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.421 3.045 11.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -2.031 3.945 12.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.302 3.840 13.257 1.00 0.00 H new ATOM 773 N LYS A 50 0.115 10.735 12.346 1.00 0.00 N ATOM 774 CA LYS A 50 0.483 12.021 12.879 1.00 0.00 C ATOM 775 C LYS A 50 0.035 13.131 11.952 1.00 0.00 C ATOM 776 O LYS A 50 -0.451 14.169 12.401 1.00 0.00 O ATOM 777 CB LYS A 50 1.993 12.055 13.082 1.00 0.00 C ATOM 778 CG LYS A 50 2.412 13.345 13.790 1.00 0.00 C ATOM 779 CD LYS A 50 3.871 13.213 14.229 1.00 0.00 C ATOM 780 CE LYS A 50 4.779 13.014 13.008 1.00 0.00 C ATOM 781 NZ LYS A 50 4.553 14.106 12.018 1.00 0.00 N ATOM 0 H LYS A 50 0.894 10.194 11.972 1.00 0.00 H new ATOM 0 HA LYS A 50 -0.013 12.176 13.837 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.306 11.193 13.671 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.497 11.983 12.118 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.294 14.198 13.122 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.773 13.526 14.654 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.176 14.106 14.775 1.00 0.00 H new ATOM 0 HD3 LYS A 50 3.978 12.370 14.911 1.00 0.00 H new ATOM 0 HE2 LYS A 50 5.824 13.005 13.319 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.576 12.047 12.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 5.321 14.104 11.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 3.644 13.955 11.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 4.536 15.022 12.510 1.00 0.00 H new ATOM 795 N LEU A 51 0.196 12.896 10.659 1.00 0.00 N ATOM 796 CA LEU A 51 -0.199 13.872 9.662 1.00 0.00 C ATOM 797 C LEU A 51 -1.711 13.972 9.619 1.00 0.00 C ATOM 798 O LEU A 51 -2.273 15.062 9.531 1.00 0.00 O ATOM 799 CB LEU A 51 0.343 13.489 8.279 1.00 0.00 C ATOM 800 CG LEU A 51 1.670 14.209 7.987 1.00 0.00 C ATOM 801 CD1 LEU A 51 1.513 15.725 8.178 1.00 0.00 C ATOM 802 CD2 LEU A 51 2.776 13.674 8.908 1.00 0.00 C ATOM 0 H LEU A 51 0.597 12.039 10.278 1.00 0.00 H new ATOM 0 HA LEU A 51 0.221 14.840 9.936 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.492 12.410 8.229 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.390 13.745 7.514 1.00 0.00 H new ATOM 0 HG LEU A 51 1.948 14.016 6.951 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.462 16.218 7.967 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.749 16.100 7.497 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.216 15.933 9.206 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.711 14.191 8.692 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.498 13.846 9.948 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.905 12.605 8.739 1.00 0.00 H new ATOM 814 N ASN A 52 -2.353 12.815 9.704 1.00 0.00 N ATOM 815 CA ASN A 52 -3.798 12.740 9.702 1.00 0.00 C ATOM 816 C ASN A 52 -4.334 13.414 10.945 1.00 0.00 C ATOM 817 O ASN A 52 -5.270 14.208 10.880 1.00 0.00 O ATOM 818 CB ASN A 52 -4.235 11.277 9.678 1.00 0.00 C ATOM 819 CG ASN A 52 -5.693 11.136 10.091 1.00 0.00 C ATOM 820 OD1 ASN A 52 -6.583 11.406 9.299 1.00 0.00 O ATOM 821 ND2 ASN A 52 -5.987 10.725 11.293 1.00 0.00 N ATOM 0 H ASN A 52 -1.886 11.911 9.776 1.00 0.00 H new ATOM 0 HA ASN A 52 -4.190 13.244 8.818 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -4.096 10.869 8.677 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -3.605 10.695 10.350 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -6.963 10.628 11.574 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -5.241 10.500 11.952 1.00 0.00 H new ATOM 828 N ASP A 53 -3.717 13.091 12.077 1.00 0.00 N ATOM 829 CA ASP A 53 -4.124 13.672 13.341 1.00 0.00 C ATOM 830 C ASP A 53 -3.899 15.178 13.313 1.00 0.00 C ATOM 831 O ASP A 53 -4.723 15.953 13.802 1.00 0.00 O ATOM 832 CB ASP A 53 -3.352 13.040 14.508 1.00 0.00 C ATOM 833 CG ASP A 53 -3.790 11.584 14.754 1.00 0.00 C ATOM 834 OD1 ASP A 53 -4.744 11.135 14.129 1.00 0.00 O ATOM 835 OD2 ASP A 53 -3.151 10.932 15.563 1.00 0.00 O ATOM 0 H ASP A 53 -2.939 12.434 12.140 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.185 13.471 13.489 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.283 13.068 14.296 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.513 13.627 15.412 1.00 0.00 H new ATOM 840 N ALA A 54 -2.781 15.579 12.712 1.00 0.00 N ATOM 841 CA ALA A 54 -2.444 16.984 12.584 1.00 0.00 C ATOM 842 C ALA A 54 -3.452 17.676 11.671 1.00 0.00 C ATOM 843 O ALA A 54 -3.853 18.814 11.920 1.00 0.00 O ATOM 844 CB ALA A 54 -1.037 17.123 12.002 1.00 0.00 C ATOM 0 H ALA A 54 -2.094 14.943 12.306 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.474 17.453 13.568 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.785 18.179 11.906 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.320 16.638 12.664 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.001 16.651 11.020 1.00 0.00 H new ATOM 850 N GLN A 55 -3.861 16.962 10.620 1.00 0.00 N ATOM 851 CA GLN A 55 -4.832 17.486 9.662 1.00 0.00 C ATOM 852 C GLN A 55 -6.265 17.253 10.144 1.00 0.00 C ATOM 853 O GLN A 55 -7.221 17.712 9.514 1.00 0.00 O ATOM 854 CB GLN A 55 -4.614 16.803 8.313 1.00 0.00 C ATOM 855 CG GLN A 55 -3.338 17.348 7.664 1.00 0.00 C ATOM 856 CD GLN A 55 -2.978 16.507 6.449 1.00 0.00 C ATOM 857 OE1 GLN A 55 -2.983 16.997 5.322 1.00 0.00 O ATOM 858 NE2 GLN A 55 -2.667 15.257 6.619 1.00 0.00 N ATOM 0 H GLN A 55 -3.533 16.019 10.412 1.00 0.00 H new ATOM 0 HA GLN A 55 -4.687 18.562 9.564 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -4.534 15.724 8.448 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -5.470 16.980 7.662 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.485 18.387 7.368 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.519 17.334 8.383 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -2.664 14.855 7.556 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.425 14.678 5.815 1.00 0.00 H new ATOM 867 N ALA A 56 -6.405 16.544 11.265 1.00 0.00 N ATOM 868 CA ALA A 56 -7.724 16.258 11.829 1.00 0.00 C ATOM 869 C ALA A 56 -8.332 17.519 12.422 1.00 0.00 C ATOM 870 O ALA A 56 -7.612 18.374 12.942 1.00 0.00 O ATOM 871 CB ALA A 56 -7.617 15.174 12.909 1.00 0.00 C ATOM 0 H ALA A 56 -5.625 16.159 11.798 1.00 0.00 H new ATOM 0 HA ALA A 56 -8.370 15.898 11.028 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.606 14.971 13.320 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -7.212 14.262 12.470 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.957 15.518 13.705 1.00 0.00 H new ATOM 877 N PRO A 57 -9.641 17.653 12.339 1.00 0.00 N ATOM 878 CA PRO A 57 -10.392 18.818 12.857 1.00 0.00 C ATOM 879 C PRO A 57 -9.879 19.308 14.197 1.00 0.00 C ATOM 880 O PRO A 57 -9.400 18.536 15.032 1.00 0.00 O ATOM 881 CB PRO A 57 -11.830 18.302 12.992 1.00 0.00 C ATOM 882 CG PRO A 57 -11.804 16.875 12.587 1.00 0.00 C ATOM 883 CD PRO A 57 -10.577 16.719 11.721 1.00 0.00 C ATOM 0 HA PRO A 57 -10.294 19.675 12.191 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -12.186 18.408 14.017 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -12.508 18.873 12.358 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -11.754 16.222 13.458 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -12.707 16.607 12.039 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -10.199 15.697 11.732 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -10.778 16.973 10.680 1.00 0.00 H new ATOM 891 N LYS A 58 -9.995 20.605 14.363 1.00 0.00 N ATOM 892 CA LYS A 58 -9.555 21.285 15.583 1.00 0.00 C ATOM 893 C LYS A 58 -10.737 21.955 16.285 1.00 0.00 C ATOM 894 O LYS A 58 -10.781 21.909 17.504 1.00 0.00 O ATOM 895 CB LYS A 58 -8.497 22.337 15.243 1.00 0.00 C ATOM 896 CG LYS A 58 -7.382 21.732 14.369 1.00 0.00 C ATOM 897 CD LYS A 58 -6.620 20.644 15.145 1.00 0.00 C ATOM 898 CE LYS A 58 -5.431 20.145 14.311 1.00 0.00 C ATOM 899 NZ LYS A 58 -5.305 18.667 14.457 1.00 0.00 N ATOM 900 OXT LYS A 58 -11.582 22.506 15.595 1.00 0.00 O ATOM 0 H LYS A 58 -10.396 21.229 13.662 1.00 0.00 H new ATOM 0 HA LYS A 58 -9.125 20.541 16.254 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -8.963 23.171 14.719 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -8.068 22.737 16.162 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -7.813 21.306 13.463 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.691 22.515 14.056 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -6.267 21.043 16.096 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -7.288 19.814 15.376 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -5.574 20.406 13.262 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.513 20.633 14.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -4.425 18.347 14.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -5.286 18.418 15.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -6.116 18.203 14.001 1.00 0.00 H new TER 914 LYS A 58 ATOM 915 N VAL B 1 -11.864 -7.255 7.297 1.00 0.00 N ATOM 916 CA VAL B 1 -13.273 -6.802 7.496 1.00 0.00 C ATOM 917 C VAL B 1 -13.928 -6.578 6.133 1.00 0.00 C ATOM 918 O VAL B 1 -15.091 -6.931 5.928 1.00 0.00 O ATOM 919 CB VAL B 1 -13.283 -5.508 8.338 1.00 0.00 C ATOM 920 CG1 VAL B 1 -12.492 -4.394 7.632 1.00 0.00 C ATOM 921 CG2 VAL B 1 -14.731 -5.043 8.564 1.00 0.00 C ATOM 0 H1 VAL B 1 -11.394 -7.343 8.221 1.00 0.00 H new ATOM 0 H2 VAL B 1 -11.860 -8.178 6.817 1.00 0.00 H new ATOM 0 H3 VAL B 1 -11.355 -6.560 6.715 1.00 0.00 H new ATOM 0 HA VAL B 1 -13.841 -7.563 8.031 1.00 0.00 H new ATOM 0 HB VAL B 1 -12.812 -5.719 9.298 1.00 0.00 H new ATOM 0 HG11 VAL B 1 -12.512 -3.491 8.242 1.00 0.00 H new ATOM 0 HG12 VAL B 1 -11.460 -4.714 7.491 1.00 0.00 H new ATOM 0 HG13 VAL B 1 -12.943 -4.186 6.662 1.00 0.00 H new ATOM 0 HG21 VAL B 1 -14.731 -4.130 9.159 1.00 0.00 H new ATOM 0 HG22 VAL B 1 -15.205 -4.850 7.602 1.00 0.00 H new ATOM 0 HG23 VAL B 1 -15.284 -5.820 9.092 1.00 0.00 H new ATOM 933 N ASP B 2 -13.164 -5.998 5.205 1.00 0.00 N ATOM 934 CA ASP B 2 -13.652 -5.729 3.851 1.00 0.00 C ATOM 935 C ASP B 2 -14.065 -7.027 3.159 1.00 0.00 C ATOM 936 O ASP B 2 -15.059 -7.072 2.430 1.00 0.00 O ATOM 937 CB ASP B 2 -12.538 -5.053 3.042 1.00 0.00 C ATOM 938 CG ASP B 2 -11.291 -5.946 3.020 1.00 0.00 C ATOM 939 OD1 ASP B 2 -10.562 -5.933 3.998 1.00 0.00 O ATOM 940 OD2 ASP B 2 -11.087 -6.632 2.032 1.00 0.00 O ATOM 0 H ASP B 2 -12.201 -5.705 5.368 1.00 0.00 H new ATOM 0 HA ASP B 2 -14.522 -5.076 3.912 1.00 0.00 H new ATOM 0 HB2 ASP B 2 -12.879 -4.865 2.024 1.00 0.00 H new ATOM 0 HB3 ASP B 2 -12.295 -4.085 3.480 1.00 0.00 H new ATOM 945 N ASN B 3 -13.279 -8.073 3.400 1.00 0.00 N ATOM 946 CA ASN B 3 -13.516 -9.386 2.821 1.00 0.00 C ATOM 947 C ASN B 3 -12.566 -10.393 3.467 1.00 0.00 C ATOM 948 O ASN B 3 -11.661 -10.001 4.207 1.00 0.00 O ATOM 949 CB ASN B 3 -13.276 -9.338 1.301 1.00 0.00 C ATOM 950 CG ASN B 3 -13.777 -10.616 0.637 1.00 0.00 C ATOM 951 OD1 ASN B 3 -12.980 -11.430 0.174 1.00 0.00 O ATOM 952 ND2 ASN B 3 -15.059 -10.844 0.567 1.00 0.00 N ATOM 0 H ASN B 3 -12.458 -8.031 4.004 1.00 0.00 H new ATOM 0 HA ASN B 3 -14.548 -9.687 3.003 1.00 0.00 H new ATOM 0 HB2 ASN B 3 -13.788 -8.475 0.874 1.00 0.00 H new ATOM 0 HB3 ASN B 3 -12.212 -9.210 1.099 1.00 0.00 H new ATOM 0 HD21 ASN B 3 -15.402 -11.698 0.128 1.00 0.00 H new ATOM 0 HD22 ASN B 3 -15.719 -10.168 0.951 1.00 0.00 H new ATOM 959 N LYS B 4 -12.753 -11.683 3.177 1.00 0.00 N ATOM 960 CA LYS B 4 -11.871 -12.707 3.737 1.00 0.00 C ATOM 961 C LYS B 4 -10.439 -12.465 3.253 1.00 0.00 C ATOM 962 O LYS B 4 -9.472 -12.885 3.891 1.00 0.00 O ATOM 963 CB LYS B 4 -12.369 -14.115 3.371 1.00 0.00 C ATOM 964 CG LYS B 4 -12.230 -14.362 1.871 1.00 0.00 C ATOM 965 CD LYS B 4 -12.903 -15.684 1.500 1.00 0.00 C ATOM 966 CE LYS B 4 -14.424 -15.522 1.560 1.00 0.00 C ATOM 967 NZ LYS B 4 -15.075 -16.630 0.805 1.00 0.00 N ATOM 0 H LYS B 4 -13.492 -12.038 2.570 1.00 0.00 H new ATOM 0 HA LYS B 4 -11.881 -12.640 4.825 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -11.799 -14.863 3.922 1.00 0.00 H new ATOM 0 HB3 LYS B 4 -13.412 -14.226 3.668 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -12.685 -13.543 1.314 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -11.176 -14.389 1.594 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -12.599 -15.990 0.499 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -12.584 -16.470 2.184 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -14.760 -15.529 2.597 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -14.714 -14.560 1.137 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -16.108 -16.518 0.847 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -14.764 -16.604 -0.187 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -14.808 -17.542 1.228 1.00 0.00 H new ATOM 981 N PHE B 5 -10.331 -11.748 2.133 1.00 0.00 N ATOM 982 CA PHE B 5 -9.046 -11.394 1.551 1.00 0.00 C ATOM 983 C PHE B 5 -8.434 -10.191 2.258 1.00 0.00 C ATOM 984 O PHE B 5 -7.454 -9.651 1.787 1.00 0.00 O ATOM 985 CB PHE B 5 -9.214 -11.076 0.058 1.00 0.00 C ATOM 986 CG PHE B 5 -9.260 -12.366 -0.710 1.00 0.00 C ATOM 987 CD1 PHE B 5 -10.318 -13.245 -0.500 1.00 0.00 C ATOM 988 CD2 PHE B 5 -8.240 -12.691 -1.610 1.00 0.00 C ATOM 989 CE1 PHE B 5 -10.367 -14.457 -1.193 1.00 0.00 C ATOM 990 CE2 PHE B 5 -8.283 -13.904 -2.302 1.00 0.00 C ATOM 991 CZ PHE B 5 -9.347 -14.787 -2.095 1.00 0.00 C ATOM 0 H PHE B 5 -11.133 -11.399 1.609 1.00 0.00 H new ATOM 0 HA PHE B 5 -8.377 -12.246 1.673 1.00 0.00 H new ATOM 0 HB2 PHE B 5 -10.129 -10.507 -0.106 1.00 0.00 H new ATOM 0 HB3 PHE B 5 -8.387 -10.458 -0.292 1.00 0.00 H new ATOM 0 HD1 PHE B 5 -11.101 -12.990 0.199 1.00 0.00 H new ATOM 0 HD2 PHE B 5 -7.421 -12.006 -1.770 1.00 0.00 H new ATOM 0 HE1 PHE B 5 -11.190 -15.138 -1.034 1.00 0.00 H new ATOM 0 HE2 PHE B 5 -7.496 -14.159 -2.996 1.00 0.00 H new ATOM 0 HZ PHE B 5 -9.383 -15.724 -2.631 1.00 0.00 H new ATOM 1001 N ASN B 6 -9.002 -9.775 3.391 1.00 0.00 N ATOM 1002 CA ASN B 6 -8.443 -8.632 4.128 1.00 0.00 C ATOM 1003 C ASN B 6 -6.970 -8.894 4.405 1.00 0.00 C ATOM 1004 O ASN B 6 -6.128 -8.033 4.166 1.00 0.00 O ATOM 1005 CB ASN B 6 -9.208 -8.419 5.445 1.00 0.00 C ATOM 1006 CG ASN B 6 -8.720 -7.161 6.171 1.00 0.00 C ATOM 1007 OD1 ASN B 6 -8.943 -7.018 7.372 1.00 0.00 O ATOM 1008 ND2 ASN B 6 -8.068 -6.236 5.519 1.00 0.00 N ATOM 0 H ASN B 6 -9.829 -10.198 3.813 1.00 0.00 H new ATOM 0 HA ASN B 6 -8.544 -7.727 3.529 1.00 0.00 H new ATOM 0 HB2 ASN B 6 -10.275 -8.333 5.239 1.00 0.00 H new ATOM 0 HB3 ASN B 6 -9.077 -9.288 6.090 1.00 0.00 H new ATOM 0 HD21 ASN B 6 -7.746 -5.400 6.006 1.00 0.00 H new ATOM 0 HD22 ASN B 6 -7.881 -6.350 4.523 1.00 0.00 H new ATOM 1015 N LYS B 7 -6.670 -10.110 4.856 1.00 0.00 N ATOM 1016 CA LYS B 7 -5.293 -10.513 5.110 1.00 0.00 C ATOM 1017 C LYS B 7 -4.523 -10.567 3.789 1.00 0.00 C ATOM 1018 O LYS B 7 -3.395 -10.086 3.690 1.00 0.00 O ATOM 1019 CB LYS B 7 -5.281 -11.897 5.774 1.00 0.00 C ATOM 1020 CG LYS B 7 -3.835 -12.344 6.044 1.00 0.00 C ATOM 1021 CD LYS B 7 -3.831 -13.693 6.782 1.00 0.00 C ATOM 1022 CE LYS B 7 -4.106 -14.839 5.798 1.00 0.00 C ATOM 1023 NZ LYS B 7 -2.920 -15.033 4.914 1.00 0.00 N ATOM 0 H LYS B 7 -7.363 -10.832 5.052 1.00 0.00 H new ATOM 0 HA LYS B 7 -4.818 -9.790 5.773 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -5.840 -11.865 6.709 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -5.779 -12.622 5.130 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -3.291 -12.433 5.103 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -3.319 -11.592 6.641 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -2.868 -13.846 7.269 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -4.588 -13.688 7.566 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -4.320 -15.758 6.344 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -4.987 -14.613 5.197 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -3.235 -15.142 3.929 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -2.293 -14.206 4.987 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -2.403 -15.886 5.209 1.00 0.00 H new ATOM 1037 N GLU B 8 -5.164 -11.170 2.788 1.00 0.00 N ATOM 1038 CA GLU B 8 -4.581 -11.326 1.457 1.00 0.00 C ATOM 1039 C GLU B 8 -4.338 -9.974 0.782 1.00 0.00 C ATOM 1040 O GLU B 8 -3.350 -9.790 0.067 1.00 0.00 O ATOM 1041 CB GLU B 8 -5.544 -12.161 0.593 1.00 0.00 C ATOM 1042 CG GLU B 8 -5.662 -13.589 1.152 1.00 0.00 C ATOM 1043 CD GLU B 8 -4.284 -14.249 1.251 1.00 0.00 C ATOM 1044 OE1 GLU B 8 -3.612 -14.340 0.236 1.00 0.00 O ATOM 1045 OE2 GLU B 8 -3.923 -14.658 2.342 1.00 0.00 O ATOM 0 H GLU B 8 -6.101 -11.563 2.877 1.00 0.00 H new ATOM 0 HA GLU B 8 -3.617 -11.825 1.559 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -6.526 -11.689 0.572 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -5.184 -12.194 -0.435 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -6.129 -13.562 2.137 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -6.310 -14.184 0.508 1.00 0.00 H new ATOM 1052 N ARG B 9 -5.261 -9.046 1.008 1.00 0.00 N ATOM 1053 CA ARG B 9 -5.193 -7.718 0.427 1.00 0.00 C ATOM 1054 C ARG B 9 -3.947 -6.973 0.901 1.00 0.00 C ATOM 1055 O ARG B 9 -3.247 -6.373 0.092 1.00 0.00 O ATOM 1056 CB ARG B 9 -6.452 -6.921 0.811 1.00 0.00 C ATOM 1057 CG ARG B 9 -6.309 -5.462 0.350 1.00 0.00 C ATOM 1058 CD ARG B 9 -7.677 -4.773 0.328 1.00 0.00 C ATOM 1059 NE ARG B 9 -8.235 -4.686 1.674 1.00 0.00 N ATOM 1060 CZ ARG B 9 -9.320 -3.958 1.926 1.00 0.00 C ATOM 1061 NH1 ARG B 9 -10.235 -3.803 1.010 1.00 0.00 N ATOM 1062 NH2 ARG B 9 -9.470 -3.399 3.091 1.00 0.00 N ATOM 0 H ARG B 9 -6.077 -9.197 1.601 1.00 0.00 H new ATOM 0 HA ARG B 9 -5.138 -7.820 -0.657 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -7.332 -7.372 0.352 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -6.601 -6.957 1.890 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -5.636 -4.927 1.019 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -5.862 -5.430 -0.644 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -7.579 -3.773 -0.095 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -8.358 -5.327 -0.318 1.00 0.00 H new ATOM 0 HE ARG B 9 -7.785 -5.193 2.436 1.00 0.00 H new ATOM 0 HH11 ARG B 9 -10.121 -4.241 0.096 1.00 0.00 H new ATOM 0 HH12 ARG B 9 -11.065 -3.244 1.208 1.00 0.00 H new ATOM 0 HH21 ARG B 9 -8.756 -3.519 3.810 1.00 0.00 H new ATOM 0 HH22 ARG B 9 -10.301 -2.841 3.286 1.00 0.00 H new ATOM 1076 N VAL B 10 -3.671 -7.009 2.214 1.00 0.00 N ATOM 1077 CA VAL B 10 -2.500 -6.307 2.740 1.00 0.00 C ATOM 1078 C VAL B 10 -1.223 -6.864 2.112 1.00 0.00 C ATOM 1079 O VAL B 10 -0.312 -6.110 1.814 1.00 0.00 O ATOM 1080 CB VAL B 10 -2.435 -6.285 4.300 1.00 0.00 C ATOM 1081 CG1 VAL B 10 -3.791 -6.639 4.945 1.00 0.00 C ATOM 1082 CG2 VAL B 10 -1.357 -7.225 4.840 1.00 0.00 C ATOM 0 H VAL B 10 -4.228 -7.503 2.911 1.00 0.00 H new ATOM 0 HA VAL B 10 -2.597 -5.260 2.452 1.00 0.00 H new ATOM 0 HB VAL B 10 -2.178 -5.261 4.572 1.00 0.00 H new ATOM 0 HG11 VAL B 10 -3.696 -6.611 6.030 1.00 0.00 H new ATOM 0 HG12 VAL B 10 -4.544 -5.918 4.628 1.00 0.00 H new ATOM 0 HG13 VAL B 10 -4.092 -7.639 4.633 1.00 0.00 H new ATOM 0 HG21 VAL B 10 -1.346 -7.179 5.929 1.00 0.00 H new ATOM 0 HG22 VAL B 10 -1.572 -8.245 4.522 1.00 0.00 H new ATOM 0 HG23 VAL B 10 -0.384 -6.922 4.454 1.00 0.00 H new ATOM 1092 N ILE B 11 -1.160 -8.174 1.894 1.00 0.00 N ATOM 1093 CA ILE B 11 0.030 -8.763 1.277 1.00 0.00 C ATOM 1094 C ILE B 11 0.203 -8.218 -0.141 1.00 0.00 C ATOM 1095 O ILE B 11 1.323 -7.918 -0.556 1.00 0.00 O ATOM 1096 CB ILE B 11 -0.057 -10.296 1.280 1.00 0.00 C ATOM 1097 CG1 ILE B 11 -0.210 -10.773 2.736 1.00 0.00 C ATOM 1098 CG2 ILE B 11 1.226 -10.893 0.672 1.00 0.00 C ATOM 1099 CD1 ILE B 11 0.021 -12.282 2.840 1.00 0.00 C ATOM 0 H ILE B 11 -1.899 -8.837 2.128 1.00 0.00 H new ATOM 0 HA ILE B 11 0.907 -8.485 1.862 1.00 0.00 H new ATOM 0 HB ILE B 11 -0.911 -10.621 0.687 1.00 0.00 H new ATOM 0 HG12 ILE B 11 0.501 -10.247 3.373 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -1.207 -10.527 3.101 1.00 0.00 H new ATOM 0 HG21 ILE B 11 1.159 -11.981 0.677 1.00 0.00 H new ATOM 0 HG22 ILE B 11 1.341 -10.541 -0.353 1.00 0.00 H new ATOM 0 HG23 ILE B 11 2.088 -10.580 1.262 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -0.092 -12.597 3.877 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -0.708 -12.805 2.221 1.00 0.00 H new ATOM 0 HD13 ILE B 11 1.027 -12.521 2.496 1.00 0.00 H new ATOM 1111 N ALA B 12 -0.915 -8.052 -0.866 1.00 0.00 N ATOM 1112 CA ALA B 12 -0.872 -7.501 -2.213 1.00 0.00 C ATOM 1113 C ALA B 12 -0.403 -6.079 -2.151 1.00 0.00 C ATOM 1114 O ALA B 12 0.483 -5.707 -2.899 1.00 0.00 O ATOM 1115 CB ALA B 12 -2.260 -7.561 -2.845 1.00 0.00 C ATOM 0 H ALA B 12 -1.850 -8.292 -0.537 1.00 0.00 H new ATOM 0 HA ALA B 12 -0.182 -8.086 -2.822 1.00 0.00 H new ATOM 0 HB1 ALA B 12 -2.219 -7.147 -3.852 1.00 0.00 H new ATOM 0 HB2 ALA B 12 -2.594 -8.598 -2.892 1.00 0.00 H new ATOM 0 HB3 ALA B 12 -2.959 -6.981 -2.243 1.00 0.00 H new ATOM 1121 N ILE B 13 -0.964 -5.312 -1.217 1.00 0.00 N ATOM 1122 CA ILE B 13 -0.557 -3.926 -1.034 1.00 0.00 C ATOM 1123 C ILE B 13 0.931 -3.934 -0.759 1.00 0.00 C ATOM 1124 O ILE B 13 1.686 -3.212 -1.382 1.00 0.00 O ATOM 1125 CB ILE B 13 -1.353 -3.312 0.137 1.00 0.00 C ATOM 1126 CG1 ILE B 13 -2.829 -3.343 -0.228 1.00 0.00 C ATOM 1127 CG2 ILE B 13 -0.962 -1.853 0.384 1.00 0.00 C ATOM 1128 CD1 ILE B 13 -3.700 -3.081 0.991 1.00 0.00 C ATOM 0 H ILE B 13 -1.696 -5.627 -0.581 1.00 0.00 H new ATOM 0 HA ILE B 13 -0.761 -3.320 -1.917 1.00 0.00 H new ATOM 0 HB ILE B 13 -1.139 -3.887 1.038 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -3.033 -2.594 -0.993 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -3.080 -4.313 -0.657 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -1.544 -1.456 1.216 1.00 0.00 H new ATOM 0 HG22 ILE B 13 0.100 -1.797 0.624 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -1.163 -1.266 -0.512 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -4.750 -3.109 0.701 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -3.511 -3.846 1.744 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -3.464 -2.100 1.403 1.00 0.00 H new ATOM 1140 N GLY B 14 1.341 -4.826 0.128 1.00 0.00 N ATOM 1141 CA GLY B 14 2.753 -4.988 0.450 1.00 0.00 C ATOM 1142 C GLY B 14 3.554 -5.297 -0.803 1.00 0.00 C ATOM 1143 O GLY B 14 4.647 -4.776 -0.992 1.00 0.00 O ATOM 0 H GLY B 14 0.717 -5.450 0.639 1.00 0.00 H new ATOM 0 HA2 GLY B 14 3.132 -4.078 0.916 1.00 0.00 H new ATOM 0 HA3 GLY B 14 2.876 -5.793 1.175 1.00 0.00 H new ATOM 1147 N GLU B 15 2.992 -6.136 -1.666 1.00 0.00 N ATOM 1148 CA GLU B 15 3.659 -6.503 -2.897 1.00 0.00 C ATOM 1149 C GLU B 15 3.733 -5.295 -3.818 1.00 0.00 C ATOM 1150 O GLU B 15 4.775 -5.046 -4.414 1.00 0.00 O ATOM 1151 CB GLU B 15 2.911 -7.650 -3.572 1.00 0.00 C ATOM 1152 CG GLU B 15 3.880 -8.558 -4.361 1.00 0.00 C ATOM 1153 CD GLU B 15 4.777 -7.741 -5.298 1.00 0.00 C ATOM 1154 OE1 GLU B 15 4.274 -7.255 -6.298 1.00 0.00 O ATOM 1155 OE2 GLU B 15 5.954 -7.613 -5.000 1.00 0.00 O ATOM 0 H GLU B 15 2.079 -6.570 -1.531 1.00 0.00 H new ATOM 0 HA GLU B 15 4.673 -6.836 -2.675 1.00 0.00 H new ATOM 0 HB2 GLU B 15 2.387 -8.239 -2.819 1.00 0.00 H new ATOM 0 HB3 GLU B 15 2.154 -7.248 -4.246 1.00 0.00 H new ATOM 0 HG2 GLU B 15 4.499 -9.124 -3.665 1.00 0.00 H new ATOM 0 HG3 GLU B 15 3.310 -9.283 -4.942 1.00 0.00 H new ATOM 1162 N ILE B 16 2.639 -4.521 -3.920 1.00 0.00 N ATOM 1163 CA ILE B 16 2.688 -3.329 -4.797 1.00 0.00 C ATOM 1164 C ILE B 16 3.841 -2.448 -4.323 1.00 0.00 C ATOM 1165 O ILE B 16 4.692 -2.012 -5.102 1.00 0.00 O ATOM 1166 CB ILE B 16 1.427 -2.419 -4.722 1.00 0.00 C ATOM 1167 CG1 ILE B 16 0.111 -3.198 -4.640 1.00 0.00 C ATOM 1168 CG2 ILE B 16 1.387 -1.510 -5.959 1.00 0.00 C ATOM 1169 CD1 ILE B 16 -0.157 -3.937 -5.938 1.00 0.00 C ATOM 0 H ILE B 16 1.754 -4.681 -3.438 1.00 0.00 H new ATOM 0 HA ILE B 16 2.782 -3.710 -5.814 1.00 0.00 H new ATOM 0 HB ILE B 16 1.514 -1.842 -3.801 1.00 0.00 H new ATOM 0 HG12 ILE B 16 0.154 -3.908 -3.814 1.00 0.00 H new ATOM 0 HG13 ILE B 16 -0.710 -2.513 -4.430 1.00 0.00 H new ATOM 0 HG21 ILE B 16 0.506 -0.870 -5.912 1.00 0.00 H new ATOM 0 HG22 ILE B 16 2.284 -0.891 -5.985 1.00 0.00 H new ATOM 0 HG23 ILE B 16 1.343 -2.123 -6.859 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -1.097 -4.484 -5.858 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -0.222 -3.221 -6.757 1.00 0.00 H new ATOM 0 HD13 ILE B 16 0.655 -4.638 -6.132 1.00 0.00 H new ATOM 1181 N MET B 17 3.832 -2.213 -3.019 1.00 0.00 N ATOM 1182 CA MET B 17 4.833 -1.406 -2.341 1.00 0.00 C ATOM 1183 C MET B 17 6.228 -2.023 -2.500 1.00 0.00 C ATOM 1184 O MET B 17 7.224 -1.301 -2.577 1.00 0.00 O ATOM 1185 CB MET B 17 4.421 -1.288 -0.880 1.00 0.00 C ATOM 1186 CG MET B 17 2.988 -0.730 -0.814 1.00 0.00 C ATOM 1187 SD MET B 17 2.986 0.988 -1.323 1.00 0.00 S ATOM 1188 CE MET B 17 3.893 1.581 0.103 1.00 0.00 C ATOM 0 H MET B 17 3.117 -2.584 -2.393 1.00 0.00 H new ATOM 0 HA MET B 17 4.889 -0.411 -2.782 1.00 0.00 H new ATOM 0 HB2 MET B 17 4.470 -2.262 -0.394 1.00 0.00 H new ATOM 0 HB3 MET B 17 5.107 -0.631 -0.346 1.00 0.00 H new ATOM 0 HG2 MET B 17 2.331 -1.312 -1.460 1.00 0.00 H new ATOM 0 HG3 MET B 17 2.599 -0.819 0.200 1.00 0.00 H new ATOM 0 HE1 MET B 17 3.309 2.347 0.613 1.00 0.00 H new ATOM 0 HE2 MET B 17 4.080 0.752 0.786 1.00 0.00 H new ATOM 0 HE3 MET B 17 4.843 2.005 -0.221 1.00 0.00 H new ATOM 1198 N ARG B 18 6.290 -3.360 -2.583 1.00 0.00 N ATOM 1199 CA ARG B 18 7.564 -4.059 -2.775 1.00 0.00 C ATOM 1200 C ARG B 18 8.138 -3.765 -4.156 1.00 0.00 C ATOM 1201 O ARG B 18 9.347 -3.583 -4.304 1.00 0.00 O ATOM 1202 CB ARG B 18 7.380 -5.565 -2.637 1.00 0.00 C ATOM 1203 CG ARG B 18 7.256 -5.968 -1.166 1.00 0.00 C ATOM 1204 CD ARG B 18 8.605 -6.462 -0.634 1.00 0.00 C ATOM 1205 NE ARG B 18 9.024 -7.676 -1.336 1.00 0.00 N ATOM 1206 CZ ARG B 18 8.236 -8.745 -1.406 1.00 0.00 C ATOM 1207 NH1 ARG B 18 8.272 -9.643 -0.463 1.00 0.00 N ATOM 1208 NH2 ARG B 18 7.423 -8.888 -2.414 1.00 0.00 N ATOM 0 H ARG B 18 5.477 -3.973 -2.520 1.00 0.00 H new ATOM 0 HA ARG B 18 8.251 -3.702 -2.008 1.00 0.00 H new ATOM 0 HB2 ARG B 18 6.488 -5.878 -3.180 1.00 0.00 H new ATOM 0 HB3 ARG B 18 8.226 -6.082 -3.090 1.00 0.00 H new ATOM 0 HG2 ARG B 18 6.915 -5.117 -0.576 1.00 0.00 H new ATOM 0 HG3 ARG B 18 6.506 -6.752 -1.059 1.00 0.00 H new ATOM 0 HD2 ARG B 18 9.358 -5.684 -0.760 1.00 0.00 H new ATOM 0 HD3 ARG B 18 8.529 -6.662 0.435 1.00 0.00 H new ATOM 0 HE ARG B 18 9.941 -7.703 -1.782 1.00 0.00 H new ATOM 0 HH11 ARG B 18 8.904 -9.526 0.329 1.00 0.00 H new ATOM 0 HH12 ARG B 18 7.668 -10.463 -0.516 1.00 0.00 H new ATOM 0 HH21 ARG B 18 7.392 -8.181 -3.148 1.00 0.00 H new ATOM 0 HH22 ARG B 18 6.818 -9.707 -2.469 1.00 0.00 H new ATOM 1222 N LEU B 19 7.256 -3.725 -5.166 1.00 0.00 N ATOM 1223 CA LEU B 19 7.681 -3.456 -6.539 1.00 0.00 C ATOM 1224 C LEU B 19 8.412 -2.120 -6.601 1.00 0.00 C ATOM 1225 O LEU B 19 7.804 -1.075 -6.386 1.00 0.00 O ATOM 1226 CB LEU B 19 6.476 -3.395 -7.479 1.00 0.00 C ATOM 1227 CG LEU B 19 5.673 -4.698 -7.488 1.00 0.00 C ATOM 1228 CD1 LEU B 19 4.386 -4.464 -8.258 1.00 0.00 C ATOM 1229 CD2 LEU B 19 6.444 -5.806 -8.185 1.00 0.00 C ATOM 0 H LEU B 19 6.253 -3.875 -5.055 1.00 0.00 H new ATOM 0 HA LEU B 19 8.342 -4.264 -6.852 1.00 0.00 H new ATOM 0 HB2 LEU B 19 5.826 -2.573 -7.178 1.00 0.00 H new ATOM 0 HB3 LEU B 19 6.819 -3.176 -8.490 1.00 0.00 H new ATOM 0 HG LEU B 19 5.475 -4.994 -6.458 1.00 0.00 H new ATOM 0 HD11 LEU B 19 3.800 -5.383 -8.275 1.00 0.00 H new ATOM 0 HD12 LEU B 19 3.810 -3.675 -7.773 1.00 0.00 H new ATOM 0 HD13 LEU B 19 4.622 -4.165 -9.279 1.00 0.00 H new ATOM 0 HD21 LEU B 19 5.852 -6.721 -8.178 1.00 0.00 H new ATOM 0 HD22 LEU B 19 6.649 -5.514 -9.215 1.00 0.00 H new ATOM 0 HD23 LEU B 19 7.385 -5.979 -7.663 1.00 0.00 H new ATOM 1241 N PRO B 20 9.698 -2.129 -6.869 1.00 0.00 N ATOM 1242 CA PRO B 20 10.511 -0.886 -6.933 1.00 0.00 C ATOM 1243 C PRO B 20 10.353 -0.099 -8.241 1.00 0.00 C ATOM 1244 O PRO B 20 10.917 0.990 -8.366 1.00 0.00 O ATOM 1245 CB PRO B 20 11.956 -1.389 -6.778 1.00 0.00 C ATOM 1246 CG PRO B 20 11.898 -2.874 -6.627 1.00 0.00 C ATOM 1247 CD PRO B 20 10.538 -3.308 -7.136 1.00 0.00 C ATOM 0 HA PRO B 20 10.197 -0.180 -6.164 1.00 0.00 H new ATOM 0 HB2 PRO B 20 12.553 -1.115 -7.648 1.00 0.00 H new ATOM 0 HB3 PRO B 20 12.430 -0.933 -5.909 1.00 0.00 H new ATOM 0 HG2 PRO B 20 12.695 -3.353 -7.195 1.00 0.00 H new ATOM 0 HG3 PRO B 20 12.032 -3.163 -5.585 1.00 0.00 H new ATOM 0 HD2 PRO B 20 10.563 -3.555 -8.197 1.00 0.00 H new ATOM 0 HD3 PRO B 20 10.173 -4.192 -6.612 1.00 0.00 H new ATOM 1255 N ASN B 21 9.617 -0.645 -9.221 1.00 0.00 N ATOM 1256 CA ASN B 21 9.455 0.046 -10.504 1.00 0.00 C ATOM 1257 C ASN B 21 8.107 0.765 -10.616 1.00 0.00 C ATOM 1258 O ASN B 21 7.931 1.594 -11.511 1.00 0.00 O ATOM 1259 CB ASN B 21 9.612 -0.947 -11.661 1.00 0.00 C ATOM 1260 CG ASN B 21 10.946 -1.687 -11.561 1.00 0.00 C ATOM 1261 OD1 ASN B 21 11.956 -1.108 -11.161 1.00 0.00 O ATOM 1262 ND2 ASN B 21 11.010 -2.940 -11.911 1.00 0.00 N ATOM 0 H ASN B 21 9.136 -1.542 -9.152 1.00 0.00 H new ATOM 0 HA ASN B 21 10.235 0.806 -10.559 1.00 0.00 H new ATOM 0 HB2 ASN B 21 8.791 -1.664 -11.646 1.00 0.00 H new ATOM 0 HB3 ASN B 21 9.555 -0.417 -12.612 1.00 0.00 H new ATOM 0 HD21 ASN B 21 11.897 -3.441 -11.854 1.00 0.00 H new ATOM 0 HD22 ASN B 21 10.173 -3.420 -12.242 1.00 0.00 H new ATOM 1269 N LEU B 22 7.155 0.464 -9.719 1.00 0.00 N ATOM 1270 CA LEU B 22 5.848 1.129 -9.782 1.00 0.00 C ATOM 1271 C LEU B 22 5.931 2.579 -9.322 1.00 0.00 C ATOM 1272 O LEU B 22 6.772 2.948 -8.501 1.00 0.00 O ATOM 1273 CB LEU B 22 4.792 0.417 -8.915 1.00 0.00 C ATOM 1274 CG LEU B 22 4.538 -1.012 -9.385 1.00 0.00 C ATOM 1275 CD1 LEU B 22 3.274 -1.556 -8.707 1.00 0.00 C ATOM 1276 CD2 LEU B 22 4.333 -1.015 -10.883 1.00 0.00 C ATOM 0 H LEU B 22 7.261 -0.214 -8.964 1.00 0.00 H new ATOM 0 HA LEU B 22 5.549 1.087 -10.829 1.00 0.00 H new ATOM 0 HB2 LEU B 22 5.124 0.404 -7.877 1.00 0.00 H new ATOM 0 HB3 LEU B 22 3.859 0.980 -8.944 1.00 0.00 H new ATOM 0 HG LEU B 22 5.393 -1.637 -9.126 1.00 0.00 H new ATOM 0 HD11 LEU B 22 3.092 -2.577 -9.042 1.00 0.00 H new ATOM 0 HD12 LEU B 22 3.409 -1.548 -7.625 1.00 0.00 H new ATOM 0 HD13 LEU B 22 2.422 -0.930 -8.971 1.00 0.00 H new ATOM 0 HD21 LEU B 22 4.151 -2.034 -11.223 1.00 0.00 H new ATOM 0 HD22 LEU B 22 3.476 -0.390 -11.134 1.00 0.00 H new ATOM 0 HD23 LEU B 22 5.224 -0.622 -11.373 1.00 0.00 H new ATOM 1288 N ASN B 23 5.012 3.379 -9.848 1.00 0.00 N ATOM 1289 CA ASN B 23 4.906 4.789 -9.500 1.00 0.00 C ATOM 1290 C ASN B 23 4.095 4.902 -8.206 1.00 0.00 C ATOM 1291 O ASN B 23 3.294 4.020 -7.905 1.00 0.00 O ATOM 1292 CB ASN B 23 4.231 5.510 -10.705 1.00 0.00 C ATOM 1293 CG ASN B 23 3.174 6.546 -10.319 1.00 0.00 C ATOM 1294 OD1 ASN B 23 3.320 7.272 -9.355 1.00 0.00 O ATOM 1295 ND2 ASN B 23 2.107 6.664 -11.056 1.00 0.00 N ATOM 0 H ASN B 23 4.319 3.068 -10.528 1.00 0.00 H new ATOM 0 HA ASN B 23 5.873 5.258 -9.318 1.00 0.00 H new ATOM 0 HB2 ASN B 23 5.004 6.002 -11.296 1.00 0.00 H new ATOM 0 HB3 ASN B 23 3.768 4.760 -11.347 1.00 0.00 H new ATOM 0 HD21 ASN B 23 1.401 7.362 -10.823 1.00 0.00 H new ATOM 0 HD22 ASN B 23 1.977 6.058 -11.866 1.00 0.00 H new ATOM 1302 N SER B 24 4.294 5.987 -7.448 1.00 0.00 N ATOM 1303 CA SER B 24 3.555 6.173 -6.197 1.00 0.00 C ATOM 1304 C SER B 24 2.059 6.162 -6.486 1.00 0.00 C ATOM 1305 O SER B 24 1.286 5.491 -5.804 1.00 0.00 O ATOM 1306 CB SER B 24 3.955 7.501 -5.552 1.00 0.00 C ATOM 1307 OG SER B 24 3.608 8.574 -6.418 1.00 0.00 O ATOM 0 H SER B 24 4.948 6.736 -7.674 1.00 0.00 H new ATOM 0 HA SER B 24 3.794 5.362 -5.509 1.00 0.00 H new ATOM 0 HB2 SER B 24 3.452 7.617 -4.592 1.00 0.00 H new ATOM 0 HB3 SER B 24 5.027 7.512 -5.353 1.00 0.00 H new ATOM 0 HG SER B 24 3.633 8.265 -7.348 1.00 0.00 H new ATOM 1313 N LEU B 25 1.684 6.873 -7.545 1.00 0.00 N ATOM 1314 CA LEU B 25 0.309 6.931 -7.992 1.00 0.00 C ATOM 1315 C LEU B 25 -0.104 5.593 -8.589 1.00 0.00 C ATOM 1316 O LEU B 25 -1.249 5.173 -8.427 1.00 0.00 O ATOM 1317 CB LEU B 25 0.128 8.043 -9.031 1.00 0.00 C ATOM 1318 CG LEU B 25 -0.852 9.076 -8.511 1.00 0.00 C ATOM 1319 CD1 LEU B 25 -0.945 10.254 -9.489 1.00 0.00 C ATOM 1320 CD2 LEU B 25 -2.216 8.415 -8.349 1.00 0.00 C ATOM 0 H LEU B 25 2.329 7.422 -8.113 1.00 0.00 H new ATOM 0 HA LEU B 25 -0.324 7.150 -7.132 1.00 0.00 H new ATOM 0 HB2 LEU B 25 1.088 8.514 -9.245 1.00 0.00 H new ATOM 0 HB3 LEU B 25 -0.236 7.622 -9.968 1.00 0.00 H new ATOM 0 HG LEU B 25 -0.512 9.458 -7.548 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -1.652 10.990 -9.106 1.00 0.00 H new ATOM 0 HD12 LEU B 25 0.037 10.715 -9.597 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -1.286 9.895 -10.460 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -2.933 9.146 -7.975 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -2.554 8.036 -9.314 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -2.138 7.589 -7.642 1.00 0.00 H new ATOM 1332 N GLN B 26 0.835 4.912 -9.264 1.00 0.00 N ATOM 1333 CA GLN B 26 0.521 3.605 -9.846 1.00 0.00 C ATOM 1334 C GLN B 26 0.206 2.627 -8.735 1.00 0.00 C ATOM 1335 O GLN B 26 -0.722 1.827 -8.828 1.00 0.00 O ATOM 1336 CB GLN B 26 1.706 3.048 -10.628 1.00 0.00 C ATOM 1337 CG GLN B 26 1.592 3.363 -12.124 1.00 0.00 C ATOM 1338 CD GLN B 26 2.817 2.820 -12.845 1.00 0.00 C ATOM 1339 OE1 GLN B 26 2.976 3.027 -14.046 1.00 0.00 O ATOM 1340 NE2 GLN B 26 3.695 2.121 -12.177 1.00 0.00 N ATOM 0 H GLN B 26 1.790 5.235 -9.416 1.00 0.00 H new ATOM 0 HA GLN B 26 -0.328 3.734 -10.517 1.00 0.00 H new ATOM 0 HB2 GLN B 26 2.632 3.469 -10.236 1.00 0.00 H new ATOM 0 HB3 GLN B 26 1.762 1.969 -10.486 1.00 0.00 H new ATOM 0 HG2 GLN B 26 0.686 2.916 -12.534 1.00 0.00 H new ATOM 0 HG3 GLN B 26 1.513 4.439 -12.276 1.00 0.00 H new ATOM 0 HE21 GLN B 26 3.560 1.951 -11.180 1.00 0.00 H new ATOM 0 HE22 GLN B 26 4.516 1.745 -12.652 1.00 0.00 H new ATOM 1349 N VAL B 27 0.998 2.718 -7.679 1.00 0.00 N ATOM 1350 CA VAL B 27 0.828 1.860 -6.527 1.00 0.00 C ATOM 1351 C VAL B 27 -0.507 2.153 -5.896 1.00 0.00 C ATOM 1352 O VAL B 27 -1.269 1.241 -5.601 1.00 0.00 O ATOM 1353 CB VAL B 27 1.999 2.054 -5.558 1.00 0.00 C ATOM 1354 CG1 VAL B 27 1.724 1.346 -4.220 1.00 0.00 C ATOM 1355 CG2 VAL B 27 3.249 1.456 -6.218 1.00 0.00 C ATOM 0 H VAL B 27 1.768 3.383 -7.600 1.00 0.00 H new ATOM 0 HA VAL B 27 0.834 0.810 -6.820 1.00 0.00 H new ATOM 0 HB VAL B 27 2.139 3.115 -5.349 1.00 0.00 H new ATOM 0 HG11 VAL B 27 2.569 1.497 -3.548 1.00 0.00 H new ATOM 0 HG12 VAL B 27 0.822 1.759 -3.768 1.00 0.00 H new ATOM 0 HG13 VAL B 27 1.586 0.279 -4.395 1.00 0.00 H new ATOM 0 HG21 VAL B 27 4.105 1.577 -5.554 1.00 0.00 H new ATOM 0 HG22 VAL B 27 3.087 0.396 -6.411 1.00 0.00 H new ATOM 0 HG23 VAL B 27 3.445 1.970 -7.159 1.00 0.00 H new ATOM 1365 N VAL B 28 -0.810 3.434 -5.769 1.00 0.00 N ATOM 1366 CA VAL B 28 -2.089 3.847 -5.248 1.00 0.00 C ATOM 1367 C VAL B 28 -3.184 3.301 -6.173 1.00 0.00 C ATOM 1368 O VAL B 28 -4.264 2.938 -5.722 1.00 0.00 O ATOM 1369 CB VAL B 28 -2.164 5.379 -5.170 1.00 0.00 C ATOM 1370 CG1 VAL B 28 -3.549 5.782 -4.660 1.00 0.00 C ATOM 1371 CG2 VAL B 28 -1.077 5.918 -4.216 1.00 0.00 C ATOM 0 H VAL B 28 -0.185 4.200 -6.021 1.00 0.00 H new ATOM 0 HA VAL B 28 -2.226 3.455 -4.240 1.00 0.00 H new ATOM 0 HB VAL B 28 -1.997 5.802 -6.160 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -3.613 6.869 -4.601 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -4.311 5.410 -5.345 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -3.711 5.355 -3.670 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -1.140 7.005 -4.169 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -1.229 5.502 -3.220 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -0.093 5.628 -4.584 1.00 0.00 H new ATOM 1381 N ALA B 29 -2.874 3.235 -7.473 1.00 0.00 N ATOM 1382 CA ALA B 29 -3.812 2.726 -8.465 1.00 0.00 C ATOM 1383 C ALA B 29 -4.178 1.289 -8.132 1.00 0.00 C ATOM 1384 O ALA B 29 -5.354 0.911 -8.159 1.00 0.00 O ATOM 1385 CB ALA B 29 -3.165 2.777 -9.859 1.00 0.00 C ATOM 0 H ALA B 29 -1.977 3.530 -7.858 1.00 0.00 H new ATOM 0 HA ALA B 29 -4.712 3.341 -8.458 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -3.867 2.396 -10.600 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -2.904 3.807 -10.102 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -2.264 2.164 -9.864 1.00 0.00 H new ATOM 1391 N PHE B 30 -3.160 0.497 -7.802 1.00 0.00 N ATOM 1392 CA PHE B 30 -3.367 -0.875 -7.460 1.00 0.00 C ATOM 1393 C PHE B 30 -3.996 -0.989 -6.070 1.00 0.00 C ATOM 1394 O PHE B 30 -4.936 -1.752 -5.879 1.00 0.00 O ATOM 1395 CB PHE B 30 -2.025 -1.615 -7.541 1.00 0.00 C ATOM 1396 CG PHE B 30 -1.513 -1.584 -8.981 1.00 0.00 C ATOM 1397 CD1 PHE B 30 -2.245 -2.177 -10.043 1.00 0.00 C ATOM 1398 CD2 PHE B 30 -0.308 -0.918 -9.269 1.00 0.00 C ATOM 1399 CE1 PHE B 30 -1.763 -2.087 -11.349 1.00 0.00 C ATOM 1400 CE2 PHE B 30 0.158 -0.845 -10.574 1.00 0.00 C ATOM 1401 CZ PHE B 30 -0.567 -1.423 -11.615 1.00 0.00 C ATOM 0 H PHE B 30 -2.187 0.800 -7.769 1.00 0.00 H new ATOM 0 HA PHE B 30 -4.061 -1.335 -8.163 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -1.299 -1.148 -6.875 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -2.145 -2.646 -7.208 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -3.171 -2.695 -9.841 1.00 0.00 H new ATOM 0 HD2 PHE B 30 0.257 -0.461 -8.470 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -2.320 -2.535 -12.159 1.00 0.00 H new ATOM 0 HE2 PHE B 30 1.088 -0.337 -10.784 1.00 0.00 H new ATOM 0 HZ PHE B 30 -0.201 -1.356 -12.629 1.00 0.00 H new ATOM 1411 N ILE B 31 -3.504 -0.196 -5.110 1.00 0.00 N ATOM 1412 CA ILE B 31 -4.053 -0.216 -3.749 1.00 0.00 C ATOM 1413 C ILE B 31 -5.541 0.130 -3.783 1.00 0.00 C ATOM 1414 O ILE B 31 -6.370 -0.570 -3.205 1.00 0.00 O ATOM 1415 CB ILE B 31 -3.309 0.803 -2.863 1.00 0.00 C ATOM 1416 CG1 ILE B 31 -1.832 0.404 -2.711 1.00 0.00 C ATOM 1417 CG2 ILE B 31 -3.949 0.854 -1.470 1.00 0.00 C ATOM 1418 CD1 ILE B 31 -1.056 1.565 -2.076 1.00 0.00 C ATOM 0 H ILE B 31 -2.736 0.460 -5.248 1.00 0.00 H new ATOM 0 HA ILE B 31 -3.923 -1.215 -3.333 1.00 0.00 H new ATOM 0 HB ILE B 31 -3.376 1.781 -3.340 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -1.746 -0.488 -2.091 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -1.408 0.157 -3.684 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -3.417 1.576 -0.851 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -4.993 1.153 -1.560 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -3.892 -0.131 -1.007 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -0.008 1.286 -1.967 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -1.132 2.446 -2.714 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -1.476 1.790 -1.096 1.00 0.00 H new ATOM 1430 N ASN B 32 -5.861 1.210 -4.478 1.00 0.00 N ATOM 1431 CA ASN B 32 -7.235 1.663 -4.609 1.00 0.00 C ATOM 1432 C ASN B 32 -8.119 0.598 -5.262 1.00 0.00 C ATOM 1433 O ASN B 32 -9.313 0.539 -4.984 1.00 0.00 O ATOM 1434 CB ASN B 32 -7.268 2.941 -5.447 1.00 0.00 C ATOM 1435 CG ASN B 32 -8.643 3.593 -5.394 1.00 0.00 C ATOM 1436 OD1 ASN B 32 -9.390 3.427 -4.428 1.00 0.00 O ATOM 1437 ND2 ASN B 32 -9.017 4.335 -6.389 1.00 0.00 N ATOM 0 H ASN B 32 -5.180 1.793 -4.964 1.00 0.00 H new ATOM 0 HA ASN B 32 -7.626 1.857 -3.610 1.00 0.00 H new ATOM 0 HB2 ASN B 32 -6.516 3.640 -5.081 1.00 0.00 H new ATOM 0 HB3 ASN B 32 -7.011 2.709 -6.481 1.00 0.00 H new ATOM 0 HD21 ASN B 32 -9.933 4.784 -6.374 1.00 0.00 H new ATOM 0 HD22 ASN B 32 -8.396 4.470 -7.187 1.00 0.00 H new ATOM 1444 N SER B 33 -7.535 -0.242 -6.126 1.00 0.00 N ATOM 1445 CA SER B 33 -8.298 -1.280 -6.787 1.00 0.00 C ATOM 1446 C SER B 33 -8.673 -2.362 -5.785 1.00 0.00 C ATOM 1447 O SER B 33 -9.735 -2.973 -5.890 1.00 0.00 O ATOM 1448 CB SER B 33 -7.510 -1.827 -7.951 1.00 0.00 C ATOM 1449 OG SER B 33 -7.721 -1.006 -9.091 1.00 0.00 O ATOM 0 H SER B 33 -6.546 -0.215 -6.374 1.00 0.00 H new ATOM 0 HA SER B 33 -9.226 -0.868 -7.184 1.00 0.00 H new ATOM 0 HB2 SER B 33 -6.449 -1.859 -7.703 1.00 0.00 H new ATOM 0 HB3 SER B 33 -7.818 -2.851 -8.164 1.00 0.00 H new ATOM 0 HG SER B 33 -7.095 -0.253 -9.072 1.00 0.00 H new ATOM 1455 N LEU B 34 -7.817 -2.552 -4.776 1.00 0.00 N ATOM 1456 CA LEU B 34 -8.117 -3.513 -3.717 1.00 0.00 C ATOM 1457 C LEU B 34 -9.333 -2.967 -2.990 1.00 0.00 C ATOM 1458 O LEU B 34 -10.281 -3.684 -2.671 1.00 0.00 O ATOM 1459 CB LEU B 34 -6.931 -3.652 -2.745 1.00 0.00 C ATOM 1460 CG LEU B 34 -5.600 -3.632 -3.516 1.00 0.00 C ATOM 1461 CD1 LEU B 34 -4.433 -3.807 -2.570 1.00 0.00 C ATOM 1462 CD2 LEU B 34 -5.560 -4.748 -4.535 1.00 0.00 C ATOM 0 H LEU B 34 -6.928 -2.062 -4.673 1.00 0.00 H new ATOM 0 HA LEU B 34 -8.304 -4.505 -4.129 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -6.950 -2.839 -2.019 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -7.020 -4.582 -2.184 1.00 0.00 H new ATOM 0 HG LEU B 34 -5.525 -2.668 -4.019 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -3.501 -3.790 -3.135 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -4.431 -2.996 -1.841 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -4.525 -4.761 -2.051 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -4.611 -4.718 -5.071 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -5.660 -5.708 -4.028 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -6.380 -4.624 -5.242 1.00 0.00 H new ATOM 1474 N ARG B 35 -9.286 -1.650 -2.802 1.00 0.00 N ATOM 1475 CA ARG B 35 -10.379 -0.893 -2.186 1.00 0.00 C ATOM 1476 C ARG B 35 -11.637 -1.053 -3.031 1.00 0.00 C ATOM 1477 O ARG B 35 -12.729 -1.291 -2.515 1.00 0.00 O ATOM 1478 CB ARG B 35 -9.981 0.594 -2.147 1.00 0.00 C ATOM 1479 CG ARG B 35 -10.218 1.205 -0.758 1.00 0.00 C ATOM 1480 CD ARG B 35 -9.045 2.122 -0.397 1.00 0.00 C ATOM 1481 NE ARG B 35 -8.861 2.164 1.046 1.00 0.00 N ATOM 1482 CZ ARG B 35 -9.558 3.002 1.802 1.00 0.00 C ATOM 1483 NH1 ARG B 35 -9.117 4.210 2.012 1.00 0.00 N ATOM 1484 NH2 ARG B 35 -10.682 2.617 2.334 1.00 0.00 N ATOM 0 H ARG B 35 -8.488 -1.074 -3.072 1.00 0.00 H new ATOM 0 HA ARG B 35 -10.569 -1.259 -1.177 1.00 0.00 H new ATOM 0 HB2 ARG B 35 -8.930 0.697 -2.416 1.00 0.00 H new ATOM 0 HB3 ARG B 35 -10.556 1.145 -2.891 1.00 0.00 H new ATOM 0 HG2 ARG B 35 -11.150 1.770 -0.752 1.00 0.00 H new ATOM 0 HG3 ARG B 35 -10.319 0.415 -0.014 1.00 0.00 H new ATOM 0 HD2 ARG B 35 -8.134 1.764 -0.876 1.00 0.00 H new ATOM 0 HD3 ARG B 35 -9.230 3.127 -0.776 1.00 0.00 H new ATOM 0 HE ARG B 35 -8.185 1.538 1.484 1.00 0.00 H new ATOM 0 HH11 ARG B 35 -8.236 4.511 1.595 1.00 0.00 H new ATOM 0 HH12 ARG B 35 -9.653 4.855 2.593 1.00 0.00 H new ATOM 0 HH21 ARG B 35 -11.027 1.671 2.169 1.00 0.00 H new ATOM 0 HH22 ARG B 35 -11.218 3.261 2.915 1.00 0.00 H new ATOM 1498 N ASP B 36 -11.445 -0.927 -4.344 1.00 0.00 N ATOM 1499 CA ASP B 36 -12.527 -1.062 -5.308 1.00 0.00 C ATOM 1500 C ASP B 36 -13.114 -2.472 -5.242 1.00 0.00 C ATOM 1501 O ASP B 36 -14.330 -2.653 -5.325 1.00 0.00 O ATOM 1502 CB ASP B 36 -11.981 -0.769 -6.718 1.00 0.00 C ATOM 1503 CG ASP B 36 -11.520 0.695 -6.845 1.00 0.00 C ATOM 1504 OD1 ASP B 36 -11.930 1.518 -6.039 1.00 0.00 O ATOM 1505 OD2 ASP B 36 -10.752 0.970 -7.752 1.00 0.00 O ATOM 0 H ASP B 36 -10.537 -0.729 -4.764 1.00 0.00 H new ATOM 0 HA ASP B 36 -13.320 -0.352 -5.075 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -11.146 -1.436 -6.933 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -12.753 -0.975 -7.460 1.00 0.00 H new ATOM 1510 N ASP B 37 -12.229 -3.453 -5.070 1.00 0.00 N ATOM 1511 CA ASP B 37 -12.626 -4.857 -4.968 1.00 0.00 C ATOM 1512 C ASP B 37 -11.457 -5.693 -4.457 1.00 0.00 C ATOM 1513 O ASP B 37 -10.489 -5.934 -5.183 1.00 0.00 O ATOM 1514 CB ASP B 37 -13.091 -5.396 -6.332 1.00 0.00 C ATOM 1515 CG ASP B 37 -14.617 -5.427 -6.404 1.00 0.00 C ATOM 1516 OD1 ASP B 37 -15.204 -6.252 -5.721 1.00 0.00 O ATOM 1517 OD2 ASP B 37 -15.176 -4.633 -7.143 1.00 0.00 O ATOM 0 H ASP B 37 -11.223 -3.299 -4.998 1.00 0.00 H new ATOM 0 HA ASP B 37 -13.457 -4.927 -4.266 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -12.696 -4.769 -7.131 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -12.693 -6.399 -6.488 1.00 0.00 H new ATOM 1522 N PRO B 38 -11.528 -6.140 -3.224 1.00 0.00 N ATOM 1523 CA PRO B 38 -10.456 -6.969 -2.614 1.00 0.00 C ATOM 1524 C PRO B 38 -10.427 -8.390 -3.178 1.00 0.00 C ATOM 1525 O PRO B 38 -9.505 -9.160 -2.899 1.00 0.00 O ATOM 1526 CB PRO B 38 -10.785 -6.993 -1.120 1.00 0.00 C ATOM 1527 CG PRO B 38 -12.021 -6.177 -0.912 1.00 0.00 C ATOM 1528 CD PRO B 38 -12.631 -5.904 -2.279 1.00 0.00 C ATOM 0 HA PRO B 38 -9.471 -6.553 -2.826 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -10.941 -8.017 -0.779 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -9.957 -6.587 -0.540 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -12.729 -6.710 -0.277 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -11.781 -5.242 -0.407 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -13.474 -6.566 -2.478 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -13.005 -4.883 -2.351 1.00 0.00 H new ATOM 1536 N SER B 39 -11.452 -8.726 -3.965 1.00 0.00 N ATOM 1537 CA SER B 39 -11.563 -10.048 -4.560 1.00 0.00 C ATOM 1538 C SER B 39 -10.424 -10.303 -5.534 1.00 0.00 C ATOM 1539 O SER B 39 -9.904 -11.418 -5.606 1.00 0.00 O ATOM 1540 CB SER B 39 -12.907 -10.173 -5.285 1.00 0.00 C ATOM 1541 OG SER B 39 -13.004 -9.162 -6.282 1.00 0.00 O ATOM 0 H SER B 39 -12.217 -8.094 -4.202 1.00 0.00 H new ATOM 0 HA SER B 39 -11.505 -10.792 -3.766 1.00 0.00 H new ATOM 0 HB2 SER B 39 -12.996 -11.159 -5.742 1.00 0.00 H new ATOM 0 HB3 SER B 39 -13.727 -10.077 -4.573 1.00 0.00 H new ATOM 0 HG SER B 39 -13.863 -9.243 -6.747 1.00 0.00 H new ATOM 1547 N GLN B 40 -10.043 -9.263 -6.284 1.00 0.00 N ATOM 1548 CA GLN B 40 -8.969 -9.391 -7.252 1.00 0.00 C ATOM 1549 C GLN B 40 -7.747 -8.595 -6.825 1.00 0.00 C ATOM 1550 O GLN B 40 -7.000 -8.112 -7.675 1.00 0.00 O ATOM 1551 CB GLN B 40 -9.425 -8.954 -8.662 1.00 0.00 C ATOM 1552 CG GLN B 40 -10.958 -8.873 -8.776 1.00 0.00 C ATOM 1553 CD GLN B 40 -11.441 -7.446 -8.507 1.00 0.00 C ATOM 1554 OE1 GLN B 40 -12.517 -7.062 -8.961 1.00 0.00 O ATOM 1555 NE2 GLN B 40 -10.707 -6.635 -7.794 1.00 0.00 N ATOM 0 H GLN B 40 -10.463 -8.335 -6.234 1.00 0.00 H new ATOM 0 HA GLN B 40 -8.697 -10.446 -7.294 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -8.993 -7.981 -8.897 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -9.044 -9.659 -9.401 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -11.272 -9.188 -9.771 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -11.418 -9.559 -8.065 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -9.814 -6.953 -7.417 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -11.026 -5.683 -7.614 1.00 0.00 H new ATOM 1564 N SER B 41 -7.522 -8.468 -5.510 1.00 0.00 N ATOM 1565 CA SER B 41 -6.363 -7.730 -5.039 1.00 0.00 C ATOM 1566 C SER B 41 -5.096 -8.305 -5.636 1.00 0.00 C ATOM 1567 O SER B 41 -4.156 -7.580 -5.946 1.00 0.00 O ATOM 1568 CB SER B 41 -6.283 -7.783 -3.510 1.00 0.00 C ATOM 1569 OG SER B 41 -7.321 -6.995 -2.952 1.00 0.00 O ATOM 0 H SER B 41 -8.115 -8.859 -4.778 1.00 0.00 H new ATOM 0 HA SER B 41 -6.466 -6.691 -5.354 1.00 0.00 H new ATOM 0 HB2 SER B 41 -6.371 -8.814 -3.167 1.00 0.00 H new ATOM 0 HB3 SER B 41 -5.313 -7.416 -3.174 1.00 0.00 H new ATOM 0 HG SER B 41 -7.270 -7.031 -1.974 1.00 0.00 H new ATOM 1575 N ALA B 42 -5.113 -9.612 -5.805 1.00 0.00 N ATOM 1576 CA ALA B 42 -4.004 -10.347 -6.384 1.00 0.00 C ATOM 1577 C ALA B 42 -3.909 -10.097 -7.890 1.00 0.00 C ATOM 1578 O ALA B 42 -2.833 -10.202 -8.475 1.00 0.00 O ATOM 1579 CB ALA B 42 -4.233 -11.835 -6.139 1.00 0.00 C ATOM 0 H ALA B 42 -5.904 -10.200 -5.542 1.00 0.00 H new ATOM 0 HA ALA B 42 -3.075 -10.014 -5.921 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -3.409 -12.405 -6.567 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -4.286 -12.023 -5.067 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -5.168 -12.141 -6.608 1.00 0.00 H new ATOM 1585 N ASN B 43 -5.062 -9.804 -8.501 1.00 0.00 N ATOM 1586 CA ASN B 43 -5.161 -9.576 -9.938 1.00 0.00 C ATOM 1587 C ASN B 43 -4.520 -8.277 -10.369 1.00 0.00 C ATOM 1588 O ASN B 43 -3.684 -8.258 -11.265 1.00 0.00 O ATOM 1589 CB ASN B 43 -6.617 -9.516 -10.313 1.00 0.00 C ATOM 1590 CG ASN B 43 -6.801 -9.774 -11.806 1.00 0.00 C ATOM 1591 OD1 ASN B 43 -7.295 -10.831 -12.198 1.00 0.00 O ATOM 1592 ND2 ASN B 43 -6.420 -8.871 -12.667 1.00 0.00 N ATOM 0 H ASN B 43 -5.951 -9.719 -8.008 1.00 0.00 H new ATOM 0 HA ASN B 43 -4.638 -10.393 -10.434 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -7.176 -10.255 -9.740 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -7.024 -8.538 -10.055 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -6.531 -9.040 -13.667 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -6.011 -7.996 -12.341 1.00 0.00 H new ATOM 1599 N LEU B 44 -4.920 -7.182 -9.734 1.00 0.00 N ATOM 1600 CA LEU B 44 -4.356 -5.914 -10.078 1.00 0.00 C ATOM 1601 C LEU B 44 -2.955 -5.858 -9.502 1.00 0.00 C ATOM 1602 O LEU B 44 -2.068 -5.228 -10.052 1.00 0.00 O ATOM 1603 CB LEU B 44 -5.292 -4.731 -9.744 1.00 0.00 C ATOM 1604 CG LEU B 44 -5.420 -4.384 -8.268 1.00 0.00 C ATOM 1605 CD1 LEU B 44 -6.301 -5.391 -7.555 1.00 0.00 C ATOM 1606 CD2 LEU B 44 -4.080 -4.271 -7.572 1.00 0.00 C ATOM 0 H LEU B 44 -5.621 -7.160 -8.993 1.00 0.00 H new ATOM 0 HA LEU B 44 -4.258 -5.805 -11.158 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -4.935 -3.849 -10.276 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -6.285 -4.957 -10.132 1.00 0.00 H new ATOM 0 HG LEU B 44 -5.887 -3.400 -8.220 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -6.379 -5.124 -6.501 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -7.294 -5.388 -8.005 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -5.864 -6.385 -7.646 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -4.235 -4.022 -6.522 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -3.551 -5.221 -7.645 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -3.488 -3.489 -8.047 1.00 0.00 H new ATOM 1618 N LEU B 45 -2.743 -6.619 -8.428 1.00 0.00 N ATOM 1619 CA LEU B 45 -1.417 -6.747 -7.867 1.00 0.00 C ATOM 1620 C LEU B 45 -0.595 -7.395 -8.965 1.00 0.00 C ATOM 1621 O LEU B 45 0.565 -7.063 -9.206 1.00 0.00 O ATOM 1622 CB LEU B 45 -1.453 -7.651 -6.626 1.00 0.00 C ATOM 1623 CG LEU B 45 -0.098 -8.339 -6.412 1.00 0.00 C ATOM 1624 CD1 LEU B 45 0.990 -7.285 -6.240 1.00 0.00 C ATOM 1625 CD2 LEU B 45 -0.162 -9.240 -5.168 1.00 0.00 C ATOM 0 H LEU B 45 -3.468 -7.146 -7.941 1.00 0.00 H new ATOM 0 HA LEU B 45 -1.005 -5.788 -7.553 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -1.708 -7.059 -5.747 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -2.233 -8.403 -6.741 1.00 0.00 H new ATOM 0 HG LEU B 45 0.136 -8.954 -7.281 1.00 0.00 H new ATOM 0 HD11 LEU B 45 1.951 -7.776 -6.088 1.00 0.00 H new ATOM 0 HD12 LEU B 45 1.038 -6.662 -7.133 1.00 0.00 H new ATOM 0 HD13 LEU B 45 0.760 -6.662 -5.375 1.00 0.00 H new ATOM 0 HD21 LEU B 45 0.802 -9.726 -5.021 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -0.401 -8.636 -4.293 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -0.933 -9.998 -5.307 1.00 0.00 H new ATOM 1637 N ALA B 46 -1.276 -8.294 -9.664 1.00 0.00 N ATOM 1638 CA ALA B 46 -0.687 -8.989 -10.792 1.00 0.00 C ATOM 1639 C ALA B 46 -0.351 -7.945 -11.846 1.00 0.00 C ATOM 1640 O ALA B 46 0.724 -7.946 -12.429 1.00 0.00 O ATOM 1641 CB ALA B 46 -1.673 -10.024 -11.358 1.00 0.00 C ATOM 0 H ALA B 46 -2.241 -8.557 -9.465 1.00 0.00 H new ATOM 0 HA ALA B 46 0.211 -9.524 -10.484 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -1.216 -10.537 -12.204 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -1.922 -10.750 -10.584 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -2.581 -9.519 -11.687 1.00 0.00 H new ATOM 1647 N GLU B 47 -1.285 -7.019 -12.026 1.00 0.00 N ATOM 1648 CA GLU B 47 -1.121 -5.911 -12.945 1.00 0.00 C ATOM 1649 C GLU B 47 0.029 -5.022 -12.487 1.00 0.00 C ATOM 1650 O GLU B 47 0.685 -4.375 -13.298 1.00 0.00 O ATOM 1651 CB GLU B 47 -2.396 -5.054 -13.001 1.00 0.00 C ATOM 1652 CG GLU B 47 -3.567 -5.837 -13.579 1.00 0.00 C ATOM 1653 CD GLU B 47 -3.217 -6.425 -14.949 1.00 0.00 C ATOM 1654 OE1 GLU B 47 -2.894 -5.657 -15.841 1.00 0.00 O ATOM 1655 OE2 GLU B 47 -3.259 -7.640 -15.078 1.00 0.00 O ATOM 0 H GLU B 47 -2.179 -7.020 -11.535 1.00 0.00 H new ATOM 0 HA GLU B 47 -0.914 -6.324 -13.932 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -2.648 -4.707 -11.999 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -2.214 -4.167 -13.608 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -3.844 -6.640 -12.896 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -4.435 -5.184 -13.671 1.00 0.00 H new ATOM 1662 N ALA B 48 0.219 -4.962 -11.168 1.00 0.00 N ATOM 1663 CA ALA B 48 1.228 -4.121 -10.575 1.00 0.00 C ATOM 1664 C ALA B 48 2.600 -4.680 -10.792 1.00 0.00 C ATOM 1665 O ALA B 48 3.494 -3.977 -11.223 1.00 0.00 O ATOM 1666 CB ALA B 48 0.958 -4.051 -9.081 1.00 0.00 C ATOM 0 H ALA B 48 -0.327 -5.498 -10.493 1.00 0.00 H new ATOM 0 HA ALA B 48 1.186 -3.135 -11.037 1.00 0.00 H new ATOM 0 HB1 ALA B 48 1.708 -3.420 -8.605 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -0.033 -3.630 -8.910 1.00 0.00 H new ATOM 0 HB3 ALA B 48 1.005 -5.053 -8.655 1.00 0.00 H new ATOM 1672 N LYS B 49 2.756 -5.954 -10.511 1.00 0.00 N ATOM 1673 CA LYS B 49 4.039 -6.587 -10.707 1.00 0.00 C ATOM 1674 C LYS B 49 4.341 -6.590 -12.198 1.00 0.00 C ATOM 1675 O LYS B 49 5.482 -6.416 -12.602 1.00 0.00 O ATOM 1676 CB LYS B 49 4.030 -7.970 -10.064 1.00 0.00 C ATOM 1677 CG LYS B 49 2.981 -8.844 -10.720 1.00 0.00 C ATOM 1678 CD LYS B 49 2.947 -10.227 -10.050 1.00 0.00 C ATOM 1679 CE LYS B 49 2.352 -10.118 -8.635 1.00 0.00 C ATOM 1680 NZ LYS B 49 1.139 -10.980 -8.533 1.00 0.00 N ATOM 0 H LYS B 49 2.022 -6.564 -10.151 1.00 0.00 H new ATOM 0 HA LYS B 49 4.846 -6.042 -10.217 1.00 0.00 H new ATOM 0 HB2 LYS B 49 5.012 -8.432 -10.163 1.00 0.00 H new ATOM 0 HB3 LYS B 49 3.825 -7.882 -8.997 1.00 0.00 H new ATOM 0 HG2 LYS B 49 2.002 -8.370 -10.643 1.00 0.00 H new ATOM 0 HG3 LYS B 49 3.200 -8.952 -11.782 1.00 0.00 H new ATOM 0 HD2 LYS B 49 2.352 -10.915 -10.650 1.00 0.00 H new ATOM 0 HD3 LYS B 49 3.955 -10.639 -9.998 1.00 0.00 H new ATOM 0 HE2 LYS B 49 3.091 -10.424 -7.895 1.00 0.00 H new ATOM 0 HE3 LYS B 49 2.093 -9.082 -8.418 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 1.090 -11.399 -7.582 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 0.289 -10.405 -8.703 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 1.191 -11.738 -9.243 1.00 0.00 H new ATOM 1694 N LYS B 50 3.277 -6.687 -13.002 1.00 0.00 N ATOM 1695 CA LYS B 50 3.395 -6.601 -14.453 1.00 0.00 C ATOM 1696 C LYS B 50 3.801 -5.190 -14.838 1.00 0.00 C ATOM 1697 O LYS B 50 4.597 -4.995 -15.749 1.00 0.00 O ATOM 1698 CB LYS B 50 2.062 -6.920 -15.114 1.00 0.00 C ATOM 1699 CG LYS B 50 1.792 -8.431 -15.080 1.00 0.00 C ATOM 1700 CD LYS B 50 0.368 -8.700 -15.586 1.00 0.00 C ATOM 1701 CE LYS B 50 -0.045 -10.140 -15.263 1.00 0.00 C ATOM 1702 NZ LYS B 50 -1.528 -10.204 -15.105 1.00 0.00 N ATOM 0 H LYS B 50 2.324 -6.825 -12.667 1.00 0.00 H new ATOM 0 HA LYS B 50 4.144 -7.319 -14.787 1.00 0.00 H new ATOM 0 HB2 LYS B 50 1.259 -6.390 -14.602 1.00 0.00 H new ATOM 0 HB3 LYS B 50 2.068 -6.569 -16.146 1.00 0.00 H new ATOM 0 HG2 LYS B 50 2.517 -8.956 -15.702 1.00 0.00 H new ATOM 0 HG3 LYS B 50 1.908 -8.811 -14.065 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -0.329 -8.001 -15.122 1.00 0.00 H new ATOM 0 HD3 LYS B 50 0.319 -8.532 -16.662 1.00 0.00 H new ATOM 0 HE2 LYS B 50 0.277 -10.810 -16.060 1.00 0.00 H new ATOM 0 HE3 LYS B 50 0.445 -10.474 -14.348 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -1.764 -10.780 -14.272 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -1.906 -9.243 -14.980 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -1.949 -10.634 -15.953 1.00 0.00 H new ATOM 1716 N LEU B 51 3.245 -4.205 -14.127 1.00 0.00 N ATOM 1717 CA LEU B 51 3.570 -2.808 -14.395 1.00 0.00 C ATOM 1718 C LEU B 51 4.987 -2.543 -13.973 1.00 0.00 C ATOM 1719 O LEU B 51 5.756 -1.894 -14.678 1.00 0.00 O ATOM 1720 CB LEU B 51 2.622 -1.874 -13.636 1.00 0.00 C ATOM 1721 CG LEU B 51 1.710 -1.163 -14.627 1.00 0.00 C ATOM 1722 CD1 LEU B 51 2.551 -0.187 -15.465 1.00 0.00 C ATOM 1723 CD2 LEU B 51 1.011 -2.201 -15.530 1.00 0.00 C ATOM 0 H LEU B 51 2.576 -4.350 -13.371 1.00 0.00 H new ATOM 0 HA LEU B 51 3.457 -2.618 -15.462 1.00 0.00 H new ATOM 0 HB2 LEU B 51 2.027 -2.444 -12.922 1.00 0.00 H new ATOM 0 HB3 LEU B 51 3.194 -1.144 -13.064 1.00 0.00 H new ATOM 0 HG LEU B 51 0.941 -0.603 -14.095 1.00 0.00 H new ATOM 0 HD11 LEU B 51 1.908 0.328 -16.178 1.00 0.00 H new ATOM 0 HD12 LEU B 51 3.022 0.544 -14.808 1.00 0.00 H new ATOM 0 HD13 LEU B 51 3.321 -0.740 -16.004 1.00 0.00 H new ATOM 0 HD21 LEU B 51 0.360 -1.688 -16.237 1.00 0.00 H new ATOM 0 HD22 LEU B 51 1.762 -2.772 -16.076 1.00 0.00 H new ATOM 0 HD23 LEU B 51 0.417 -2.877 -14.915 1.00 0.00 H new ATOM 1735 N ASN B 52 5.328 -3.104 -12.832 1.00 0.00 N ATOM 1736 CA ASN B 52 6.672 -2.996 -12.318 1.00 0.00 C ATOM 1737 C ASN B 52 7.582 -3.642 -13.329 1.00 0.00 C ATOM 1738 O ASN B 52 8.651 -3.129 -13.655 1.00 0.00 O ATOM 1739 CB ASN B 52 6.765 -3.709 -10.976 1.00 0.00 C ATOM 1740 CG ASN B 52 8.219 -3.848 -10.542 1.00 0.00 C ATOM 1741 OD1 ASN B 52 8.704 -3.093 -9.705 1.00 0.00 O ATOM 1742 ND2 ASN B 52 8.944 -4.778 -11.080 1.00 0.00 N ATOM 0 H ASN B 52 4.690 -3.640 -12.244 1.00 0.00 H new ATOM 0 HA ASN B 52 6.957 -1.956 -12.162 1.00 0.00 H new ATOM 0 HB2 ASN B 52 6.207 -3.153 -10.223 1.00 0.00 H new ATOM 0 HB3 ASN B 52 6.306 -4.695 -11.049 1.00 0.00 H new ATOM 0 HD21 ASN B 52 9.921 -4.884 -10.808 1.00 0.00 H new ATOM 0 HD22 ASN B 52 8.537 -5.404 -11.775 1.00 0.00 H new ATOM 1749 N ASP B 53 7.095 -4.758 -13.854 1.00 0.00 N ATOM 1750 CA ASP B 53 7.820 -5.483 -14.889 1.00 0.00 C ATOM 1751 C ASP B 53 7.886 -4.620 -16.146 1.00 0.00 C ATOM 1752 O ASP B 53 8.882 -4.624 -16.870 1.00 0.00 O ATOM 1753 CB ASP B 53 7.131 -6.820 -15.209 1.00 0.00 C ATOM 1754 CG ASP B 53 7.252 -7.814 -14.043 1.00 0.00 C ATOM 1755 OD1 ASP B 53 8.112 -7.628 -13.191 1.00 0.00 O ATOM 1756 OD2 ASP B 53 6.470 -8.751 -14.017 1.00 0.00 O ATOM 0 H ASP B 53 6.207 -5.179 -13.583 1.00 0.00 H new ATOM 0 HA ASP B 53 8.826 -5.699 -14.531 1.00 0.00 H new ATOM 0 HB2 ASP B 53 6.078 -6.644 -15.429 1.00 0.00 H new ATOM 0 HB3 ASP B 53 7.576 -7.254 -16.105 1.00 0.00 H new ATOM 1761 N ALA B 54 6.802 -3.878 -16.380 1.00 0.00 N ATOM 1762 CA ALA B 54 6.699 -2.993 -17.533 1.00 0.00 C ATOM 1763 C ALA B 54 7.714 -1.859 -17.431 1.00 0.00 C ATOM 1764 O ALA B 54 8.314 -1.461 -18.431 1.00 0.00 O ATOM 1765 CB ALA B 54 5.281 -2.421 -17.601 1.00 0.00 C ATOM 0 H ALA B 54 5.978 -3.876 -15.778 1.00 0.00 H new ATOM 0 HA ALA B 54 6.911 -3.561 -18.439 1.00 0.00 H new ATOM 0 HB1 ALA B 54 5.197 -1.758 -18.462 1.00 0.00 H new ATOM 0 HB2 ALA B 54 4.564 -3.236 -17.700 1.00 0.00 H new ATOM 0 HB3 ALA B 54 5.070 -1.861 -16.690 1.00 0.00 H new ATOM 1771 N GLN B 55 7.902 -1.349 -16.210 1.00 0.00 N ATOM 1772 CA GLN B 55 8.848 -0.264 -15.968 1.00 0.00 C ATOM 1773 C GLN B 55 10.229 -0.799 -15.595 1.00 0.00 C ATOM 1774 O GLN B 55 11.170 -0.025 -15.409 1.00 0.00 O ATOM 1775 CB GLN B 55 8.325 0.597 -14.839 1.00 0.00 C ATOM 1776 CG GLN B 55 7.016 1.266 -15.252 1.00 0.00 C ATOM 1777 CD GLN B 55 6.161 1.485 -14.019 1.00 0.00 C ATOM 1778 OE1 GLN B 55 5.831 2.620 -13.678 1.00 0.00 O ATOM 1779 NE2 GLN B 55 5.792 0.449 -13.317 1.00 0.00 N ATOM 0 H GLN B 55 7.410 -1.672 -15.377 1.00 0.00 H new ATOM 0 HA GLN B 55 8.947 0.319 -16.884 1.00 0.00 H new ATOM 0 HB2 GLN B 55 8.166 -0.013 -13.950 1.00 0.00 H new ATOM 0 HB3 GLN B 55 9.063 1.355 -14.578 1.00 0.00 H new ATOM 0 HG2 GLN B 55 7.219 2.218 -15.743 1.00 0.00 H new ATOM 0 HG3 GLN B 55 6.486 0.642 -15.972 1.00 0.00 H new ATOM 0 HE21 GLN B 55 6.070 -0.489 -13.607 1.00 0.00 H new ATOM 0 HE22 GLN B 55 5.226 0.577 -12.478 1.00 0.00 H new ATOM 1788 N ALA B 56 10.341 -2.124 -15.477 1.00 0.00 N ATOM 1789 CA ALA B 56 11.614 -2.749 -15.110 1.00 0.00 C ATOM 1790 C ALA B 56 12.673 -2.511 -16.174 1.00 0.00 C ATOM 1791 O ALA B 56 12.360 -2.124 -17.304 1.00 0.00 O ATOM 1792 CB ALA B 56 11.442 -4.253 -14.911 1.00 0.00 C ATOM 0 H ALA B 56 9.574 -2.779 -15.628 1.00 0.00 H new ATOM 0 HA ALA B 56 11.939 -2.291 -14.176 1.00 0.00 H new ATOM 0 HB1 ALA B 56 12.400 -4.696 -14.639 1.00 0.00 H new ATOM 0 HB2 ALA B 56 10.719 -4.434 -14.115 1.00 0.00 H new ATOM 0 HB3 ALA B 56 11.083 -4.704 -15.836 1.00 0.00 H new ATOM 1798 N PRO B 57 13.921 -2.724 -15.828 1.00 0.00 N ATOM 1799 CA PRO B 57 15.058 -2.520 -16.749 1.00 0.00 C ATOM 1800 C PRO B 57 15.260 -3.712 -17.683 1.00 0.00 C ATOM 1801 O PRO B 57 14.483 -4.671 -17.664 1.00 0.00 O ATOM 1802 CB PRO B 57 16.263 -2.336 -15.807 1.00 0.00 C ATOM 1803 CG PRO B 57 15.739 -2.468 -14.410 1.00 0.00 C ATOM 1804 CD PRO B 57 14.409 -3.184 -14.524 1.00 0.00 C ATOM 0 HA PRO B 57 14.904 -1.669 -17.413 1.00 0.00 H new ATOM 0 HB2 PRO B 57 17.028 -3.086 -16.006 1.00 0.00 H new ATOM 0 HB3 PRO B 57 16.726 -1.361 -15.956 1.00 0.00 H new ATOM 0 HG2 PRO B 57 16.432 -3.032 -13.786 1.00 0.00 H new ATOM 0 HG3 PRO B 57 15.616 -1.489 -13.946 1.00 0.00 H new ATOM 0 HD2 PRO B 57 14.526 -4.267 -14.492 1.00 0.00 H new ATOM 0 HD3 PRO B 57 13.730 -2.912 -13.716 1.00 0.00 H new ATOM 1812 N LYS B 58 16.311 -3.638 -18.492 1.00 0.00 N ATOM 1813 CA LYS B 58 16.634 -4.703 -19.439 1.00 0.00 C ATOM 1814 C LYS B 58 17.487 -5.782 -18.767 1.00 0.00 C ATOM 1815 O LYS B 58 18.350 -5.426 -17.979 1.00 0.00 O ATOM 1816 CB LYS B 58 17.381 -4.122 -20.644 1.00 0.00 C ATOM 1817 CG LYS B 58 16.411 -3.914 -21.817 1.00 0.00 C ATOM 1818 CD LYS B 58 15.518 -2.692 -21.549 1.00 0.00 C ATOM 1819 CE LYS B 58 14.496 -2.534 -22.679 1.00 0.00 C ATOM 1820 NZ LYS B 58 13.441 -3.578 -22.543 1.00 0.00 N ATOM 1821 OXT LYS B 58 17.264 -6.948 -19.049 1.00 0.00 O ATOM 0 H LYS B 58 16.957 -2.849 -18.512 1.00 0.00 H new ATOM 0 HA LYS B 58 15.704 -5.158 -19.778 1.00 0.00 H new ATOM 0 HB2 LYS B 58 17.843 -3.173 -20.372 1.00 0.00 H new ATOM 0 HB3 LYS B 58 18.185 -4.795 -20.942 1.00 0.00 H new ATOM 0 HG2 LYS B 58 16.970 -3.770 -22.741 1.00 0.00 H new ATOM 0 HG3 LYS B 58 15.795 -4.803 -21.952 1.00 0.00 H new ATOM 0 HD2 LYS B 58 15.003 -2.809 -20.595 1.00 0.00 H new ATOM 0 HD3 LYS B 58 16.130 -1.793 -21.472 1.00 0.00 H new ATOM 0 HE2 LYS B 58 14.047 -1.541 -22.642 1.00 0.00 H new ATOM 0 HE3 LYS B 58 14.990 -2.625 -23.646 1.00 0.00 H new ATOM 0 HZ1 LYS B 58 12.654 -3.362 -23.188 1.00 0.00 H new ATOM 0 HZ2 LYS B 58 13.840 -4.508 -22.782 1.00 0.00 H new ATOM 0 HZ3 LYS B 58 13.092 -3.593 -21.564 1.00 0.00 H new TER 1835 LYS B 58