USER MOD reduce.3.24.130724 H: found=0, std=0, add=829, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 824 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 41 HIS : no HE2:sc= -1.83 K(o=-5.3,f=-7!) USER MOD Set 1.2: A 44 MET CE :methyl -110:sc= -3.44! (180deg=-8.11!) USER MOD Single : A 1 GLU N :NH3+ 179:sc= -0.149 (180deg=-0.162) USER MOD Single : A 10 HIS : no HD1:sc= -0.823 X(o=-0.82,f=-0.66) USER MOD Single : A 12 MET CE :methyl -135:sc= -0.381 (180deg=-4.28!) USER MOD Single : A 14 HIS : no HE2:sc= -1.32 K(o=-1.3,f=-2.3!) USER MOD Single : A 21 SER OG : rot 81:sc= 0.377 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.129 K(o=-0.13,f=-1.2) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl -150:sc= -6.39! (180deg=-7.7!) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.358 K(o=-0.36,f=-2) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.0168 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.198 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.0465 X(o=-0.047,f=-0.39) USER MOD Single : A 58 GLN : amide:sc= -0.994 X(o=-0.99,f=-1.2) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -4.92! C(o=-4.9!,f=-7.7!) USER MOD Single : A 71 CYS SG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 98:sc= -1.68 USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.0657 X(o=-0.066,f=-0.32) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.12 K(o=-0.12,f=-1.4!) USER MOD Single : A 90 TYR OH : rot 132:sc= 0.502 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HD1:sc= -0.0923 K(o=-0.092,f=-0.74) USER MOD Single : A 98 SER OG : rot -86:sc= 0.921 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -1.19 X(o=-1.2,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 10.882 -9.832 -19.795 1.00 0.00 N ATOM 2 CA GLU A 1 10.345 -10.548 -18.617 1.00 0.00 C ATOM 3 C GLU A 1 8.924 -11.081 -18.932 1.00 0.00 C ATOM 4 O GLU A 1 8.664 -11.419 -20.087 1.00 0.00 O ATOM 5 CB GLU A 1 10.360 -9.675 -17.343 1.00 0.00 C ATOM 6 CG GLU A 1 11.596 -8.798 -17.110 1.00 0.00 C ATOM 7 CD GLU A 1 11.430 -7.458 -17.836 1.00 0.00 C ATOM 8 OE1 GLU A 1 10.629 -6.646 -17.325 1.00 0.00 O ATOM 9 OE2 GLU A 1 11.986 -7.332 -18.947 1.00 0.00 O ATOM 0 H1 GLU A 1 11.828 -9.461 -19.574 1.00 0.00 H new ATOM 0 H2 GLU A 1 10.946 -10.487 -20.600 1.00 0.00 H new ATOM 0 H3 GLU A 1 10.250 -9.043 -20.040 1.00 0.00 H new ATOM 0 HA GLU A 1 10.998 -11.395 -18.407 1.00 0.00 H new ATOM 0 HB2 GLU A 1 9.485 -9.026 -17.368 1.00 0.00 H new ATOM 0 HB3 GLU A 1 10.245 -10.333 -16.481 1.00 0.00 H new ATOM 0 HG2 GLU A 1 11.736 -8.628 -16.042 1.00 0.00 H new ATOM 0 HG3 GLU A 1 12.488 -9.309 -17.471 1.00 0.00 H new ATOM 17 N LEU A 2 7.997 -11.079 -17.958 1.00 0.00 N ATOM 18 CA LEU A 2 6.622 -11.617 -18.104 1.00 0.00 C ATOM 19 C LEU A 2 6.629 -13.123 -18.406 1.00 0.00 C ATOM 20 O LEU A 2 7.655 -13.674 -18.774 1.00 0.00 O ATOM 21 CB LEU A 2 5.825 -10.913 -19.210 1.00 0.00 C ATOM 22 CG LEU A 2 4.808 -9.913 -18.669 1.00 0.00 C ATOM 23 CD1 LEU A 2 5.259 -8.477 -18.943 1.00 0.00 C ATOM 24 CD2 LEU A 2 3.447 -10.203 -19.303 1.00 0.00 C ATOM 0 H LEU A 2 8.180 -10.698 -17.030 1.00 0.00 H new ATOM 0 HA LEU A 2 6.140 -11.431 -17.144 1.00 0.00 H new ATOM 0 HB2 LEU A 2 6.516 -10.396 -19.875 1.00 0.00 H new ATOM 0 HB3 LEU A 2 5.307 -11.662 -19.809 1.00 0.00 H new ATOM 0 HG LEU A 2 4.726 -10.020 -17.587 1.00 0.00 H new ATOM 0 HD11 LEU A 2 4.518 -7.781 -18.548 1.00 0.00 H new ATOM 0 HD12 LEU A 2 6.219 -8.298 -18.458 1.00 0.00 H new ATOM 0 HD13 LEU A 2 5.362 -8.327 -20.018 1.00 0.00 H new ATOM 0 HD21 LEU A 2 2.711 -9.494 -18.924 1.00 0.00 H new ATOM 0 HD22 LEU A 2 3.522 -10.104 -20.386 1.00 0.00 H new ATOM 0 HD23 LEU A 2 3.137 -11.217 -19.052 1.00 0.00 H new ATOM 36 N ILE A 3 5.528 -13.803 -18.088 1.00 0.00 N ATOM 37 CA ILE A 3 5.430 -15.280 -18.205 1.00 0.00 C ATOM 38 C ILE A 3 6.487 -16.059 -17.372 1.00 0.00 C ATOM 39 O ILE A 3 6.754 -17.239 -17.579 1.00 0.00 O ATOM 40 CB ILE A 3 5.344 -15.649 -19.712 1.00 0.00 C ATOM 41 CG1 ILE A 3 4.129 -16.541 -20.015 1.00 0.00 C ATOM 42 CG2 ILE A 3 6.633 -16.125 -20.407 1.00 0.00 C ATOM 43 CD1 ILE A 3 3.956 -17.799 -19.150 1.00 0.00 C ATOM 0 H ILE A 3 4.677 -13.360 -17.743 1.00 0.00 H new ATOM 0 HA ILE A 3 4.510 -15.622 -17.731 1.00 0.00 H new ATOM 0 HB ILE A 3 5.192 -14.681 -20.189 1.00 0.00 H new ATOM 0 HG12 ILE A 3 3.229 -15.934 -19.914 1.00 0.00 H new ATOM 0 HG13 ILE A 3 4.189 -16.852 -21.058 1.00 0.00 H new ATOM 0 HG21 ILE A 3 6.422 -16.346 -21.453 1.00 0.00 H new ATOM 0 HG22 ILE A 3 7.389 -15.342 -20.347 1.00 0.00 H new ATOM 0 HG23 ILE A 3 7.002 -17.024 -19.913 1.00 0.00 H new ATOM 0 HD11 ILE A 3 3.063 -18.338 -19.466 1.00 0.00 H new ATOM 0 HD12 ILE A 3 4.828 -18.443 -19.265 1.00 0.00 H new ATOM 0 HD13 ILE A 3 3.854 -17.510 -18.104 1.00 0.00 H new ATOM 55 N ARG A 4 6.951 -15.397 -16.316 1.00 0.00 N ATOM 56 CA ARG A 4 8.018 -15.890 -15.411 1.00 0.00 C ATOM 57 C ARG A 4 7.936 -15.275 -14.004 1.00 0.00 C ATOM 58 O ARG A 4 7.925 -15.971 -12.994 1.00 0.00 O ATOM 59 CB ARG A 4 9.396 -15.636 -16.053 1.00 0.00 C ATOM 60 CG ARG A 4 9.637 -14.163 -16.412 1.00 0.00 C ATOM 61 CD ARG A 4 10.441 -14.039 -17.694 1.00 0.00 C ATOM 62 NE ARG A 4 11.841 -13.740 -17.382 1.00 0.00 N ATOM 63 CZ ARG A 4 12.828 -13.720 -18.276 1.00 0.00 C ATOM 64 NH1 ARG A 4 12.615 -13.997 -19.557 1.00 0.00 N ATOM 65 NH2 ARG A 4 14.057 -13.446 -17.879 1.00 0.00 N ATOM 0 H ARG A 4 6.595 -14.479 -16.048 1.00 0.00 H new ATOM 0 HA ARG A 4 7.873 -16.962 -15.278 1.00 0.00 H new ATOM 0 HB2 ARG A 4 10.175 -15.968 -15.367 1.00 0.00 H new ATOM 0 HB3 ARG A 4 9.486 -16.242 -16.955 1.00 0.00 H new ATOM 0 HG2 ARG A 4 8.681 -13.652 -16.527 1.00 0.00 H new ATOM 0 HG3 ARG A 4 10.166 -13.669 -15.597 1.00 0.00 H new ATOM 0 HD2 ARG A 4 10.377 -14.966 -18.264 1.00 0.00 H new ATOM 0 HD3 ARG A 4 10.023 -13.251 -18.320 1.00 0.00 H new ATOM 0 HE ARG A 4 12.076 -13.532 -16.411 1.00 0.00 H new ATOM 0 HH11 ARG A 4 11.676 -14.233 -19.879 1.00 0.00 H new ATOM 0 HH12 ARG A 4 13.390 -13.974 -20.220 1.00 0.00 H new ATOM 0 HH21 ARG A 4 14.244 -13.252 -16.895 1.00 0.00 H new ATOM 0 HH22 ARG A 4 14.820 -13.428 -18.556 1.00 0.00 H new ATOM 79 N VAL A 5 7.819 -13.949 -13.991 1.00 0.00 N ATOM 80 CA VAL A 5 7.662 -13.135 -12.772 1.00 0.00 C ATOM 81 C VAL A 5 6.196 -12.697 -12.596 1.00 0.00 C ATOM 82 O VAL A 5 5.658 -12.766 -11.501 1.00 0.00 O ATOM 83 CB VAL A 5 8.676 -11.962 -12.790 1.00 0.00 C ATOM 84 CG1 VAL A 5 8.561 -11.036 -14.010 1.00 0.00 C ATOM 85 CG2 VAL A 5 8.635 -11.143 -11.495 1.00 0.00 C ATOM 0 H VAL A 5 7.830 -13.391 -14.844 1.00 0.00 H new ATOM 0 HA VAL A 5 7.895 -13.731 -11.889 1.00 0.00 H new ATOM 0 HB VAL A 5 9.647 -12.451 -12.870 1.00 0.00 H new ATOM 0 HG11 VAL A 5 9.308 -10.245 -13.938 1.00 0.00 H new ATOM 0 HG12 VAL A 5 8.728 -11.611 -14.921 1.00 0.00 H new ATOM 0 HG13 VAL A 5 7.565 -10.593 -14.038 1.00 0.00 H new ATOM 0 HG21 VAL A 5 9.362 -10.333 -11.554 1.00 0.00 H new ATOM 0 HG22 VAL A 5 7.637 -10.726 -11.360 1.00 0.00 H new ATOM 0 HG23 VAL A 5 8.877 -11.787 -10.649 1.00 0.00 H new ATOM 95 N ALA A 6 5.574 -12.275 -13.702 1.00 0.00 N ATOM 96 CA ALA A 6 4.185 -11.768 -13.756 1.00 0.00 C ATOM 97 C ALA A 6 4.037 -10.482 -12.920 1.00 0.00 C ATOM 98 O ALA A 6 3.077 -10.304 -12.176 1.00 0.00 O ATOM 99 CB ALA A 6 3.176 -12.862 -13.358 1.00 0.00 C ATOM 0 H ALA A 6 6.030 -12.274 -14.614 1.00 0.00 H new ATOM 0 HA ALA A 6 3.954 -11.499 -14.787 1.00 0.00 H new ATOM 0 HB1 ALA A 6 2.164 -12.459 -13.407 1.00 0.00 H new ATOM 0 HB2 ALA A 6 3.265 -13.705 -14.043 1.00 0.00 H new ATOM 0 HB3 ALA A 6 3.384 -13.197 -12.342 1.00 0.00 H new ATOM 105 N ILE A 7 5.025 -9.594 -13.096 1.00 0.00 N ATOM 106 CA ILE A 7 5.203 -8.323 -12.359 1.00 0.00 C ATOM 107 C ILE A 7 4.644 -8.424 -10.925 1.00 0.00 C ATOM 108 O ILE A 7 3.513 -8.042 -10.628 1.00 0.00 O ATOM 109 CB ILE A 7 4.674 -7.133 -13.207 1.00 0.00 C ATOM 110 CG1 ILE A 7 5.231 -5.758 -12.785 1.00 0.00 C ATOM 111 CG2 ILE A 7 3.154 -7.125 -13.453 1.00 0.00 C ATOM 112 CD1 ILE A 7 4.989 -5.251 -11.354 1.00 0.00 C ATOM 0 H ILE A 7 5.760 -9.744 -13.787 1.00 0.00 H new ATOM 0 HA ILE A 7 6.264 -8.119 -12.212 1.00 0.00 H new ATOM 0 HB ILE A 7 5.100 -7.328 -14.191 1.00 0.00 H new ATOM 0 HG12 ILE A 7 6.309 -5.778 -12.947 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.820 -5.015 -13.469 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.887 -6.255 -14.054 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.866 -8.034 -13.982 1.00 0.00 H new ATOM 0 HG23 ILE A 7 2.631 -7.080 -12.498 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.449 -4.270 -11.233 1.00 0.00 H new ATOM 0 HD12 ILE A 7 3.917 -5.174 -11.172 1.00 0.00 H new ATOM 0 HD13 ILE A 7 5.429 -5.949 -10.641 1.00 0.00 H new ATOM 124 N LEU A 8 5.450 -9.030 -10.060 1.00 0.00 N ATOM 125 CA LEU A 8 5.048 -9.258 -8.660 1.00 0.00 C ATOM 126 C LEU A 8 4.509 -7.978 -7.996 1.00 0.00 C ATOM 127 O LEU A 8 4.958 -6.871 -8.292 1.00 0.00 O ATOM 128 CB LEU A 8 6.247 -9.799 -7.872 1.00 0.00 C ATOM 129 CG LEU A 8 6.168 -11.269 -7.442 1.00 0.00 C ATOM 130 CD1 LEU A 8 4.919 -11.510 -6.604 1.00 0.00 C ATOM 131 CD2 LEU A 8 6.259 -12.240 -8.617 1.00 0.00 C ATOM 0 H LEU A 8 6.382 -9.374 -10.293 1.00 0.00 H new ATOM 0 HA LEU A 8 4.237 -9.987 -8.655 1.00 0.00 H new ATOM 0 HB2 LEU A 8 7.143 -9.667 -8.479 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.374 -9.187 -6.979 1.00 0.00 H new ATOM 0 HG LEU A 8 7.043 -11.472 -6.825 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.877 -12.558 -6.306 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.951 -10.881 -5.714 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.034 -11.264 -7.191 1.00 0.00 H new ATOM 0 HD21 LEU A 8 6.197 -13.264 -8.248 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.437 -12.053 -9.308 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.208 -12.097 -9.134 1.00 0.00 H new ATOM 143 N TRP A 9 3.636 -8.172 -7.014 1.00 0.00 N ATOM 144 CA TRP A 9 2.991 -7.033 -6.327 1.00 0.00 C ATOM 145 C TRP A 9 3.773 -6.521 -5.119 1.00 0.00 C ATOM 146 O TRP A 9 4.074 -5.340 -5.049 1.00 0.00 O ATOM 147 CB TRP A 9 1.547 -7.293 -5.911 1.00 0.00 C ATOM 148 CG TRP A 9 0.581 -7.360 -7.099 1.00 0.00 C ATOM 149 CD1 TRP A 9 0.674 -6.722 -8.271 1.00 0.00 C ATOM 150 CD2 TRP A 9 -0.662 -7.938 -7.045 1.00 0.00 C ATOM 151 NE1 TRP A 9 -0.473 -6.850 -8.931 1.00 0.00 N ATOM 152 CE2 TRP A 9 -1.314 -7.589 -8.229 1.00 0.00 C ATOM 153 CE3 TRP A 9 -1.308 -8.703 -6.084 1.00 0.00 C ATOM 154 CZ2 TRP A 9 -2.620 -8.004 -8.437 1.00 0.00 C ATOM 155 CZ3 TRP A 9 -2.604 -9.118 -6.299 1.00 0.00 C ATOM 156 CH2 TRP A 9 -3.264 -8.771 -7.479 1.00 0.00 C ATOM 0 H TRP A 9 3.354 -9.090 -6.671 1.00 0.00 H new ATOM 0 HA TRP A 9 2.989 -6.258 -7.093 1.00 0.00 H new ATOM 0 HB2 TRP A 9 1.498 -8.231 -5.357 1.00 0.00 H new ATOM 0 HB3 TRP A 9 1.223 -6.504 -5.232 1.00 0.00 H new ATOM 0 HD1 TRP A 9 1.543 -6.188 -8.625 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -0.674 -6.439 -9.843 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -0.797 -8.972 -5.171 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -3.136 -7.730 -9.345 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -3.110 -9.713 -5.553 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -4.279 -9.101 -7.646 1.00 0.00 H new ATOM 167 N HIS A 10 4.331 -7.452 -4.348 1.00 0.00 N ATOM 168 CA HIS A 10 5.277 -7.141 -3.249 1.00 0.00 C ATOM 169 C HIS A 10 6.390 -6.161 -3.697 1.00 0.00 C ATOM 170 O HIS A 10 6.755 -5.232 -2.986 1.00 0.00 O ATOM 171 CB HIS A 10 5.791 -8.500 -2.743 1.00 0.00 C ATOM 172 CG HIS A 10 7.286 -8.606 -2.368 1.00 0.00 C ATOM 173 ND1 HIS A 10 7.807 -8.646 -1.153 1.00 0.00 N ATOM 174 CD2 HIS A 10 8.281 -8.578 -3.240 1.00 0.00 C ATOM 175 CE1 HIS A 10 9.140 -8.591 -1.276 1.00 0.00 C ATOM 176 NE2 HIS A 10 9.426 -8.553 -2.571 1.00 0.00 N ATOM 0 H HIS A 10 4.147 -8.449 -4.458 1.00 0.00 H new ATOM 0 HA HIS A 10 4.794 -6.605 -2.432 1.00 0.00 H new ATOM 0 HB2 HIS A 10 5.205 -8.775 -1.866 1.00 0.00 H new ATOM 0 HB3 HIS A 10 5.584 -9.245 -3.512 1.00 0.00 H new ATOM 0 HD2 HIS A 10 8.178 -8.576 -4.315 1.00 0.00 H new ATOM 0 HE1 HIS A 10 9.854 -8.580 -0.466 1.00 0.00 H new ATOM 0 HE2 HIS A 10 10.360 -8.512 -2.979 1.00 0.00 H new ATOM 184 N GLU A 11 6.804 -6.326 -4.956 1.00 0.00 N ATOM 185 CA GLU A 11 7.824 -5.496 -5.628 1.00 0.00 C ATOM 186 C GLU A 11 7.378 -4.040 -5.792 1.00 0.00 C ATOM 187 O GLU A 11 7.990 -3.129 -5.232 1.00 0.00 O ATOM 188 CB GLU A 11 8.153 -6.084 -7.005 1.00 0.00 C ATOM 189 CG GLU A 11 8.688 -7.519 -6.934 1.00 0.00 C ATOM 190 CD GLU A 11 10.054 -7.688 -6.260 1.00 0.00 C ATOM 191 OE1 GLU A 11 10.302 -7.024 -5.231 1.00 0.00 O ATOM 192 OE2 GLU A 11 10.820 -8.499 -6.818 1.00 0.00 O ATOM 0 H GLU A 11 6.432 -7.060 -5.559 1.00 0.00 H new ATOM 0 HA GLU A 11 8.710 -5.502 -4.993 1.00 0.00 H new ATOM 0 HB2 GLU A 11 7.256 -6.067 -7.624 1.00 0.00 H new ATOM 0 HB3 GLU A 11 8.892 -5.451 -7.497 1.00 0.00 H new ATOM 0 HG2 GLU A 11 7.962 -8.132 -6.400 1.00 0.00 H new ATOM 0 HG3 GLU A 11 8.753 -7.913 -7.948 1.00 0.00 H new ATOM 199 N MET A 12 6.187 -3.882 -6.363 1.00 0.00 N ATOM 200 CA MET A 12 5.552 -2.566 -6.520 1.00 0.00 C ATOM 201 C MET A 12 5.224 -1.955 -5.141 1.00 0.00 C ATOM 202 O MET A 12 4.931 -0.776 -5.083 1.00 0.00 O ATOM 203 CB MET A 12 4.313 -2.692 -7.422 1.00 0.00 C ATOM 204 CG MET A 12 3.064 -3.154 -6.664 1.00 0.00 C ATOM 205 SD MET A 12 1.612 -3.731 -7.602 1.00 0.00 S ATOM 206 CE MET A 12 1.372 -2.314 -8.645 1.00 0.00 C ATOM 0 H MET A 12 5.633 -4.655 -6.730 1.00 0.00 H new ATOM 0 HA MET A 12 6.244 -1.880 -7.008 1.00 0.00 H new ATOM 0 HB2 MET A 12 4.112 -1.728 -7.890 1.00 0.00 H new ATOM 0 HB3 MET A 12 4.525 -3.398 -8.225 1.00 0.00 H new ATOM 0 HG2 MET A 12 3.366 -3.962 -5.998 1.00 0.00 H new ATOM 0 HG3 MET A 12 2.739 -2.326 -6.034 1.00 0.00 H new ATOM 0 HE1 MET A 12 0.313 -2.056 -8.670 1.00 0.00 H new ATOM 0 HE2 MET A 12 1.942 -1.472 -8.252 1.00 0.00 H new ATOM 0 HE3 MET A 12 1.714 -2.543 -9.654 1.00 0.00 H new ATOM 216 N TRP A 13 5.146 -2.783 -4.093 1.00 0.00 N ATOM 217 CA TRP A 13 4.903 -2.343 -2.706 1.00 0.00 C ATOM 218 C TRP A 13 6.079 -1.578 -2.103 1.00 0.00 C ATOM 219 O TRP A 13 5.874 -0.462 -1.647 1.00 0.00 O ATOM 220 CB TRP A 13 4.486 -3.519 -1.824 1.00 0.00 C ATOM 221 CG TRP A 13 2.968 -3.694 -1.653 1.00 0.00 C ATOM 222 CD1 TRP A 13 2.403 -4.361 -0.645 1.00 0.00 C ATOM 223 CD2 TRP A 13 1.954 -3.255 -2.477 1.00 0.00 C ATOM 224 NE1 TRP A 13 1.083 -4.368 -0.809 1.00 0.00 N ATOM 225 CE2 TRP A 13 0.762 -3.714 -1.906 1.00 0.00 C ATOM 226 CE3 TRP A 13 1.908 -2.570 -3.682 1.00 0.00 C ATOM 227 CZ2 TRP A 13 -0.446 -3.482 -2.549 1.00 0.00 C ATOM 228 CZ3 TRP A 13 0.719 -2.428 -4.357 1.00 0.00 C ATOM 229 CH2 TRP A 13 -0.465 -2.879 -3.789 1.00 0.00 C ATOM 0 H TRP A 13 5.251 -3.794 -4.181 1.00 0.00 H new ATOM 0 HA TRP A 13 4.076 -1.634 -2.746 1.00 0.00 H new ATOM 0 HB2 TRP A 13 4.897 -4.435 -2.247 1.00 0.00 H new ATOM 0 HB3 TRP A 13 4.936 -3.393 -0.839 1.00 0.00 H new ATOM 0 HD1 TRP A 13 2.934 -4.822 0.175 1.00 0.00 H new ATOM 0 HE1 TRP A 13 0.417 -4.814 -0.178 1.00 0.00 H new ATOM 0 HE3 TRP A 13 2.812 -2.145 -4.093 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -1.373 -3.774 -2.077 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 0.706 -1.964 -5.332 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -1.399 -2.758 -4.317 1.00 0.00 H new ATOM 240 N HIS A 14 7.291 -2.020 -2.437 1.00 0.00 N ATOM 241 CA HIS A 14 8.533 -1.327 -2.041 1.00 0.00 C ATOM 242 C HIS A 14 8.512 0.161 -2.424 1.00 0.00 C ATOM 243 O HIS A 14 8.349 1.033 -1.574 1.00 0.00 O ATOM 244 CB HIS A 14 9.757 -2.003 -2.667 1.00 0.00 C ATOM 245 CG HIS A 14 10.459 -3.002 -1.733 1.00 0.00 C ATOM 246 ND1 HIS A 14 11.357 -3.891 -2.131 1.00 0.00 N ATOM 247 CD2 HIS A 14 10.452 -2.974 -0.407 1.00 0.00 C ATOM 248 CE1 HIS A 14 11.919 -4.415 -1.038 1.00 0.00 C ATOM 249 NE2 HIS A 14 11.371 -3.834 0.021 1.00 0.00 N ATOM 0 H HIS A 14 7.448 -2.864 -2.987 1.00 0.00 H new ATOM 0 HA HIS A 14 8.599 -1.395 -0.955 1.00 0.00 H new ATOM 0 HB2 HIS A 14 9.449 -2.523 -3.574 1.00 0.00 H new ATOM 0 HB3 HIS A 14 10.471 -1.236 -2.966 1.00 0.00 H new ATOM 0 HD1 HIS A 14 11.579 -4.132 -3.097 1.00 0.00 H new ATOM 0 HD2 HIS A 14 9.814 -2.362 0.214 1.00 0.00 H new ATOM 0 HE1 HIS A 14 12.684 -5.177 -1.020 1.00 0.00 H new ATOM 257 N GLU A 15 8.467 0.397 -3.733 1.00 0.00 N ATOM 258 CA GLU A 15 8.363 1.752 -4.304 1.00 0.00 C ATOM 259 C GLU A 15 6.966 2.365 -4.162 1.00 0.00 C ATOM 260 O GLU A 15 6.856 3.555 -3.917 1.00 0.00 O ATOM 261 CB GLU A 15 8.792 1.784 -5.773 1.00 0.00 C ATOM 262 CG GLU A 15 7.865 0.975 -6.687 1.00 0.00 C ATOM 263 CD GLU A 15 8.236 1.141 -8.156 1.00 0.00 C ATOM 264 OE1 GLU A 15 8.139 2.287 -8.647 1.00 0.00 O ATOM 265 OE2 GLU A 15 8.578 0.098 -8.748 1.00 0.00 O ATOM 0 H GLU A 15 8.501 -0.342 -4.435 1.00 0.00 H new ATOM 0 HA GLU A 15 9.050 2.362 -3.717 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.818 2.818 -6.115 1.00 0.00 H new ATOM 0 HB3 GLU A 15 9.807 1.395 -5.858 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.916 -0.079 -6.416 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.834 1.294 -6.534 1.00 0.00 H new ATOM 272 N GLY A 16 5.909 1.576 -4.353 1.00 0.00 N ATOM 273 CA GLY A 16 4.530 2.068 -4.222 1.00 0.00 C ATOM 274 C GLY A 16 4.243 2.636 -2.830 1.00 0.00 C ATOM 275 O GLY A 16 3.480 3.583 -2.695 1.00 0.00 O ATOM 0 H GLY A 16 5.978 0.589 -4.600 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.350 2.840 -4.971 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.835 1.254 -4.430 1.00 0.00 H new ATOM 279 N LEU A 17 4.910 2.070 -1.832 1.00 0.00 N ATOM 280 CA LEU A 17 4.955 2.641 -0.485 1.00 0.00 C ATOM 281 C LEU A 17 6.036 3.703 -0.325 1.00 0.00 C ATOM 282 O LEU A 17 5.772 4.701 0.308 1.00 0.00 O ATOM 283 CB LEU A 17 5.088 1.566 0.592 1.00 0.00 C ATOM 284 CG LEU A 17 3.709 1.066 1.020 1.00 0.00 C ATOM 285 CD1 LEU A 17 3.874 -0.170 1.900 1.00 0.00 C ATOM 286 CD2 LEU A 17 2.985 2.162 1.800 1.00 0.00 C ATOM 0 H LEU A 17 5.436 1.202 -1.930 1.00 0.00 H new ATOM 0 HA LEU A 17 3.995 3.139 -0.347 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.682 0.734 0.213 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.619 1.970 1.454 1.00 0.00 H new ATOM 0 HG LEU A 17 3.122 0.809 0.138 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.893 -0.531 2.208 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.388 -0.950 1.339 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.460 0.087 2.783 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.002 1.803 2.104 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.566 2.423 2.685 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.870 3.043 1.168 1.00 0.00 H new ATOM 298 N GLU A 18 7.119 3.642 -1.088 1.00 0.00 N ATOM 299 CA GLU A 18 8.194 4.648 -0.992 1.00 0.00 C ATOM 300 C GLU A 18 7.835 5.971 -1.689 1.00 0.00 C ATOM 301 O GLU A 18 7.706 6.986 -1.017 1.00 0.00 O ATOM 302 CB GLU A 18 9.503 4.054 -1.503 1.00 0.00 C ATOM 303 CG GLU A 18 10.683 4.922 -1.068 1.00 0.00 C ATOM 304 CD GLU A 18 11.940 4.064 -0.988 1.00 0.00 C ATOM 305 OE1 GLU A 18 12.627 3.966 -2.028 1.00 0.00 O ATOM 306 OE2 GLU A 18 12.152 3.490 0.102 1.00 0.00 O ATOM 0 H GLU A 18 7.286 2.913 -1.781 1.00 0.00 H new ATOM 0 HA GLU A 18 8.322 4.908 0.059 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.626 3.042 -1.118 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.477 3.981 -2.590 1.00 0.00 H new ATOM 0 HG2 GLU A 18 10.830 5.737 -1.777 1.00 0.00 H new ATOM 0 HG3 GLU A 18 10.477 5.376 -0.099 1.00 0.00 H new ATOM 313 N GLU A 19 7.409 5.885 -2.943 1.00 0.00 N ATOM 314 CA GLU A 19 6.896 7.010 -3.746 1.00 0.00 C ATOM 315 C GLU A 19 5.574 7.575 -3.185 1.00 0.00 C ATOM 316 O GLU A 19 5.115 8.623 -3.623 1.00 0.00 O ATOM 317 CB GLU A 19 6.741 6.540 -5.199 1.00 0.00 C ATOM 318 CG GLU A 19 6.701 7.704 -6.198 1.00 0.00 C ATOM 319 CD GLU A 19 7.965 8.569 -6.120 1.00 0.00 C ATOM 320 OE1 GLU A 19 9.069 7.981 -6.184 1.00 0.00 O ATOM 321 OE2 GLU A 19 7.797 9.790 -5.925 1.00 0.00 O ATOM 0 H GLU A 19 7.407 5.003 -3.455 1.00 0.00 H new ATOM 0 HA GLU A 19 7.609 7.833 -3.701 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.569 5.878 -5.452 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.826 5.956 -5.292 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.592 7.311 -7.209 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.825 8.322 -6.000 1.00 0.00 H new ATOM 328 N ALA A 20 4.992 6.879 -2.206 1.00 0.00 N ATOM 329 CA ALA A 20 3.772 7.309 -1.499 1.00 0.00 C ATOM 330 C ALA A 20 4.086 7.866 -0.108 1.00 0.00 C ATOM 331 O ALA A 20 3.944 9.062 0.138 1.00 0.00 O ATOM 332 CB ALA A 20 2.790 6.150 -1.353 1.00 0.00 C ATOM 0 H ALA A 20 5.357 5.986 -1.873 1.00 0.00 H new ATOM 0 HA ALA A 20 3.325 8.099 -2.102 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.898 6.493 -0.828 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.511 5.783 -2.341 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.258 5.346 -0.786 1.00 0.00 H new ATOM 338 N SER A 21 4.733 7.042 0.703 1.00 0.00 N ATOM 339 CA SER A 21 5.196 7.407 2.050 1.00 0.00 C ATOM 340 C SER A 21 6.149 8.602 1.991 1.00 0.00 C ATOM 341 O SER A 21 6.121 9.402 2.909 1.00 0.00 O ATOM 342 CB SER A 21 5.870 6.257 2.809 1.00 0.00 C ATOM 343 OG SER A 21 4.945 5.179 2.993 1.00 0.00 O ATOM 0 H SER A 21 4.959 6.081 0.446 1.00 0.00 H new ATOM 0 HA SER A 21 4.295 7.668 2.604 1.00 0.00 H new ATOM 0 HB2 SER A 21 6.742 5.908 2.256 1.00 0.00 H new ATOM 0 HB3 SER A 21 6.227 6.610 3.777 1.00 0.00 H new ATOM 0 HG SER A 21 4.895 4.647 2.171 1.00 0.00 H new ATOM 349 N ARG A 22 6.820 8.823 0.860 1.00 0.00 N ATOM 350 CA ARG A 22 7.635 10.033 0.629 1.00 0.00 C ATOM 351 C ARG A 22 6.821 11.320 0.397 1.00 0.00 C ATOM 352 O ARG A 22 7.118 12.345 1.015 1.00 0.00 O ATOM 353 CB ARG A 22 8.616 9.797 -0.514 1.00 0.00 C ATOM 354 CG ARG A 22 9.571 10.977 -0.675 1.00 0.00 C ATOM 355 CD ARG A 22 10.514 10.671 -1.823 1.00 0.00 C ATOM 356 NE ARG A 22 10.935 11.939 -2.429 1.00 0.00 N ATOM 357 CZ ARG A 22 11.665 12.041 -3.539 1.00 0.00 C ATOM 358 NH1 ARG A 22 12.101 10.961 -4.174 1.00 0.00 N ATOM 359 NH2 ARG A 22 11.960 13.231 -4.031 1.00 0.00 N ATOM 0 H ARG A 22 6.819 8.173 0.074 1.00 0.00 H new ATOM 0 HA ARG A 22 8.180 10.206 1.557 1.00 0.00 H new ATOM 0 HB2 ARG A 22 9.186 8.887 -0.325 1.00 0.00 H new ATOM 0 HB3 ARG A 22 8.066 9.642 -1.442 1.00 0.00 H new ATOM 0 HG2 ARG A 22 9.014 11.892 -0.875 1.00 0.00 H new ATOM 0 HG3 ARG A 22 10.132 11.140 0.245 1.00 0.00 H new ATOM 0 HD2 ARG A 22 11.381 10.116 -1.464 1.00 0.00 H new ATOM 0 HD3 ARG A 22 10.018 10.043 -2.563 1.00 0.00 H new ATOM 0 HE ARG A 22 10.649 12.803 -1.968 1.00 0.00 H new ATOM 0 HH11 ARG A 22 11.879 10.033 -3.814 1.00 0.00 H new ATOM 0 HH12 ARG A 22 12.659 11.059 -5.022 1.00 0.00 H new ATOM 0 HH21 ARG A 22 11.629 14.074 -3.561 1.00 0.00 H new ATOM 0 HH22 ARG A 22 12.519 13.307 -4.881 1.00 0.00 H new ATOM 373 N LEU A 23 5.716 11.208 -0.341 1.00 0.00 N ATOM 374 CA LEU A 23 4.785 12.336 -0.561 1.00 0.00 C ATOM 375 C LEU A 23 4.196 12.894 0.746 1.00 0.00 C ATOM 376 O LEU A 23 3.799 14.056 0.841 1.00 0.00 O ATOM 377 CB LEU A 23 3.649 11.930 -1.503 1.00 0.00 C ATOM 378 CG LEU A 23 3.803 12.333 -2.979 1.00 0.00 C ATOM 379 CD1 LEU A 23 3.912 13.849 -3.150 1.00 0.00 C ATOM 380 CD2 LEU A 23 4.961 11.623 -3.677 1.00 0.00 C ATOM 0 H LEU A 23 5.435 10.344 -0.804 1.00 0.00 H new ATOM 0 HA LEU A 23 5.376 13.130 -1.018 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.537 10.847 -1.455 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.722 12.363 -1.126 1.00 0.00 H new ATOM 0 HG LEU A 23 2.888 12.002 -3.470 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.019 14.089 -4.208 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.012 14.325 -2.759 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.782 14.215 -2.605 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.016 11.951 -4.715 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.895 11.865 -3.170 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.800 10.545 -3.645 1.00 0.00 H new ATOM 392 N TYR A 24 4.238 12.048 1.769 1.00 0.00 N ATOM 393 CA TYR A 24 3.863 12.434 3.133 1.00 0.00 C ATOM 394 C TYR A 24 5.059 12.628 4.082 1.00 0.00 C ATOM 395 O TYR A 24 5.036 13.551 4.892 1.00 0.00 O ATOM 396 CB TYR A 24 2.883 11.400 3.686 1.00 0.00 C ATOM 397 CG TYR A 24 2.211 11.902 4.959 1.00 0.00 C ATOM 398 CD1 TYR A 24 1.807 13.226 5.092 1.00 0.00 C ATOM 399 CD2 TYR A 24 1.945 11.006 5.990 1.00 0.00 C ATOM 400 CE1 TYR A 24 1.118 13.634 6.214 1.00 0.00 C ATOM 401 CE2 TYR A 24 1.271 11.405 7.116 1.00 0.00 C ATOM 402 CZ TYR A 24 0.833 12.722 7.223 1.00 0.00 C ATOM 403 OH TYR A 24 0.022 13.073 8.240 1.00 0.00 O ATOM 0 H TYR A 24 4.532 11.075 1.681 1.00 0.00 H new ATOM 0 HA TYR A 24 3.391 13.415 3.075 1.00 0.00 H new ATOM 0 HB2 TYR A 24 2.125 11.176 2.936 1.00 0.00 H new ATOM 0 HB3 TYR A 24 3.411 10.469 3.893 1.00 0.00 H new ATOM 0 HD1 TYR A 24 2.034 13.938 4.312 1.00 0.00 H new ATOM 0 HD2 TYR A 24 2.274 9.981 5.902 1.00 0.00 H new ATOM 0 HE1 TYR A 24 0.800 14.662 6.309 1.00 0.00 H new ATOM 0 HE2 TYR A 24 1.081 10.702 7.914 1.00 0.00 H new ATOM 0 HH TYR A 24 -0.073 12.318 8.858 1.00 0.00 H new ATOM 413 N PHE A 25 6.151 11.920 3.807 1.00 0.00 N ATOM 414 CA PHE A 25 7.411 11.911 4.578 1.00 0.00 C ATOM 415 C PHE A 25 7.934 13.334 4.807 1.00 0.00 C ATOM 416 O PHE A 25 8.204 13.727 5.938 1.00 0.00 O ATOM 417 CB PHE A 25 8.438 11.097 3.774 1.00 0.00 C ATOM 418 CG PHE A 25 9.827 11.040 4.384 1.00 0.00 C ATOM 419 CD1 PHE A 25 10.143 10.021 5.275 1.00 0.00 C ATOM 420 CD2 PHE A 25 10.768 12.029 4.091 1.00 0.00 C ATOM 421 CE1 PHE A 25 11.382 9.994 5.877 1.00 0.00 C ATOM 422 CE2 PHE A 25 12.001 12.006 4.697 1.00 0.00 C ATOM 423 CZ PHE A 25 12.321 10.987 5.598 1.00 0.00 C ATOM 0 H PHE A 25 6.193 11.300 2.998 1.00 0.00 H new ATOM 0 HA PHE A 25 7.240 11.468 5.559 1.00 0.00 H new ATOM 0 HB2 PHE A 25 8.065 10.079 3.661 1.00 0.00 H new ATOM 0 HB3 PHE A 25 8.514 11.522 2.773 1.00 0.00 H new ATOM 0 HD1 PHE A 25 9.418 9.251 5.495 1.00 0.00 H new ATOM 0 HD2 PHE A 25 10.527 12.812 3.388 1.00 0.00 H new ATOM 0 HE1 PHE A 25 11.627 9.201 6.568 1.00 0.00 H new ATOM 0 HE2 PHE A 25 12.724 12.777 4.476 1.00 0.00 H new ATOM 0 HZ PHE A 25 13.290 10.968 6.075 1.00 0.00 H new ATOM 433 N GLY A 26 8.043 14.058 3.687 1.00 0.00 N ATOM 434 CA GLY A 26 8.472 15.467 3.695 1.00 0.00 C ATOM 435 C GLY A 26 8.021 16.231 2.447 1.00 0.00 C ATOM 436 O GLY A 26 8.740 17.092 1.952 1.00 0.00 O ATOM 0 H GLY A 26 7.839 13.691 2.757 1.00 0.00 H new ATOM 0 HA2 GLY A 26 8.071 15.959 4.581 1.00 0.00 H new ATOM 0 HA3 GLY A 26 9.559 15.511 3.770 1.00 0.00 H new ATOM 440 N GLU A 27 6.857 15.861 1.921 1.00 0.00 N ATOM 441 CA GLU A 27 6.258 16.599 0.793 1.00 0.00 C ATOM 442 C GLU A 27 4.964 17.335 1.164 1.00 0.00 C ATOM 443 O GLU A 27 4.444 18.086 0.341 1.00 0.00 O ATOM 444 CB GLU A 27 6.002 15.691 -0.411 1.00 0.00 C ATOM 445 CG GLU A 27 6.939 15.983 -1.586 1.00 0.00 C ATOM 446 CD GLU A 27 8.079 14.968 -1.715 1.00 0.00 C ATOM 447 OE1 GLU A 27 7.797 13.753 -1.601 1.00 0.00 O ATOM 448 OE2 GLU A 27 9.201 15.420 -2.026 1.00 0.00 O ATOM 0 H GLU A 27 6.308 15.065 2.247 1.00 0.00 H new ATOM 0 HA GLU A 27 6.999 17.352 0.524 1.00 0.00 H new ATOM 0 HB2 GLU A 27 6.121 14.651 -0.107 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.969 15.811 -0.738 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.361 15.990 -2.510 1.00 0.00 H new ATOM 0 HG3 GLU A 27 7.361 16.981 -1.466 1.00 0.00 H new ATOM 455 N ARG A 28 4.447 17.067 2.370 1.00 0.00 N ATOM 456 CA ARG A 28 3.150 17.572 2.876 1.00 0.00 C ATOM 457 C ARG A 28 2.015 17.520 1.837 1.00 0.00 C ATOM 458 O ARG A 28 1.095 18.336 1.802 1.00 0.00 O ATOM 459 CB ARG A 28 3.346 18.987 3.421 1.00 0.00 C ATOM 460 CG ARG A 28 2.837 19.066 4.858 1.00 0.00 C ATOM 461 CD ARG A 28 4.009 19.363 5.797 1.00 0.00 C ATOM 462 NE ARG A 28 3.643 20.414 6.765 1.00 0.00 N ATOM 463 CZ ARG A 28 3.333 21.689 6.489 1.00 0.00 C ATOM 464 NH1 ARG A 28 3.315 22.160 5.249 1.00 0.00 N ATOM 465 NH2 ARG A 28 3.021 22.521 7.468 1.00 0.00 N ATOM 0 H ARG A 28 4.929 16.475 3.046 1.00 0.00 H new ATOM 0 HA ARG A 28 2.827 16.905 3.675 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.401 19.257 3.385 1.00 0.00 H new ATOM 0 HB3 ARG A 28 2.812 19.704 2.797 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.080 19.846 4.945 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.361 18.127 5.139 1.00 0.00 H new ATOM 0 HD2 ARG A 28 4.296 18.455 6.328 1.00 0.00 H new ATOM 0 HD3 ARG A 28 4.876 19.680 5.217 1.00 0.00 H new ATOM 0 HE ARG A 28 3.624 20.142 7.748 1.00 0.00 H new ATOM 0 HH11 ARG A 28 3.542 21.546 4.467 1.00 0.00 H new ATOM 0 HH12 ARG A 28 3.074 23.136 5.078 1.00 0.00 H new ATOM 0 HH21 ARG A 28 3.016 22.193 8.434 1.00 0.00 H new ATOM 0 HH22 ARG A 28 2.785 23.491 7.257 1.00 0.00 H new ATOM 479 N ASN A 29 2.122 16.504 0.989 1.00 0.00 N ATOM 480 CA ASN A 29 1.201 16.289 -0.124 1.00 0.00 C ATOM 481 C ASN A 29 0.699 14.844 -0.042 1.00 0.00 C ATOM 482 O ASN A 29 1.041 13.969 -0.840 1.00 0.00 O ATOM 483 CB ASN A 29 1.955 16.596 -1.425 1.00 0.00 C ATOM 484 CG ASN A 29 1.016 16.963 -2.572 1.00 0.00 C ATOM 485 OD1 ASN A 29 -0.154 16.594 -2.619 1.00 0.00 O ATOM 486 ND2 ASN A 29 1.538 17.700 -3.526 1.00 0.00 N ATOM 0 H ASN A 29 2.856 15.799 1.054 1.00 0.00 H new ATOM 0 HA ASN A 29 0.330 16.943 -0.089 1.00 0.00 H new ATOM 0 HB2 ASN A 29 2.651 17.417 -1.253 1.00 0.00 H new ATOM 0 HB3 ASN A 29 2.550 15.728 -1.710 1.00 0.00 H new ATOM 0 HD21 ASN A 29 0.969 17.977 -4.326 1.00 0.00 H new ATOM 0 HD22 ASN A 29 2.512 17.996 -3.467 1.00 0.00 H new ATOM 493 N VAL A 30 -0.108 14.623 0.994 1.00 0.00 N ATOM 494 CA VAL A 30 -0.889 13.376 1.186 1.00 0.00 C ATOM 495 C VAL A 30 -1.664 13.009 -0.096 1.00 0.00 C ATOM 496 O VAL A 30 -1.612 11.869 -0.549 1.00 0.00 O ATOM 497 CB VAL A 30 -1.804 13.545 2.418 1.00 0.00 C ATOM 498 CG1 VAL A 30 -3.032 12.632 2.478 1.00 0.00 C ATOM 499 CG2 VAL A 30 -1.006 13.208 3.669 1.00 0.00 C ATOM 0 H VAL A 30 -0.248 15.305 1.739 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.219 12.538 1.377 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.154 14.575 2.348 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.597 12.842 3.386 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.663 12.813 1.608 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.711 11.590 2.483 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.641 13.323 4.548 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.653 12.179 3.609 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.152 13.880 3.748 1.00 0.00 H new ATOM 509 N LYS A 31 -2.142 14.046 -0.780 1.00 0.00 N ATOM 510 CA LYS A 31 -2.865 13.914 -2.057 1.00 0.00 C ATOM 511 C LYS A 31 -1.973 13.278 -3.147 1.00 0.00 C ATOM 512 O LYS A 31 -2.454 12.502 -3.974 1.00 0.00 O ATOM 513 CB LYS A 31 -3.382 15.321 -2.393 1.00 0.00 C ATOM 514 CG LYS A 31 -4.178 15.477 -3.691 1.00 0.00 C ATOM 515 CD LYS A 31 -3.257 15.543 -4.911 1.00 0.00 C ATOM 516 CE LYS A 31 -3.572 16.746 -5.792 1.00 0.00 C ATOM 517 NZ LYS A 31 -2.844 16.612 -7.058 1.00 0.00 N ATOM 0 H LYS A 31 -2.041 15.012 -0.467 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.710 13.228 -1.991 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -4.010 15.657 -1.568 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.526 15.995 -2.437 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.867 14.639 -3.799 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.783 16.383 -3.641 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.219 15.596 -4.581 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.360 14.628 -5.494 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.644 16.806 -5.978 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.284 17.668 -5.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.053 17.429 -7.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -1.822 16.574 -6.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.140 15.738 -7.538 1.00 0.00 H new ATOM 531 N GLY A 32 -0.658 13.503 -3.034 1.00 0.00 N ATOM 532 CA GLY A 32 0.354 12.966 -3.963 1.00 0.00 C ATOM 533 C GLY A 32 0.545 11.453 -3.798 1.00 0.00 C ATOM 534 O GLY A 32 0.378 10.702 -4.756 1.00 0.00 O ATOM 0 H GLY A 32 -0.258 14.070 -2.286 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.055 13.183 -4.989 1.00 0.00 H new ATOM 0 HA3 GLY A 32 1.305 13.471 -3.794 1.00 0.00 H new ATOM 538 N MET A 33 0.747 11.006 -2.556 1.00 0.00 N ATOM 539 CA MET A 33 0.896 9.566 -2.253 1.00 0.00 C ATOM 540 C MET A 33 -0.325 8.747 -2.681 1.00 0.00 C ATOM 541 O MET A 33 -0.192 7.648 -3.210 1.00 0.00 O ATOM 542 CB MET A 33 1.171 9.326 -0.771 1.00 0.00 C ATOM 543 CG MET A 33 0.005 9.379 0.202 1.00 0.00 C ATOM 544 SD MET A 33 0.518 8.774 1.840 1.00 0.00 S ATOM 545 CE MET A 33 -0.762 9.677 2.656 1.00 0.00 C ATOM 0 H MET A 33 0.812 11.614 -1.739 1.00 0.00 H new ATOM 0 HA MET A 33 1.754 9.230 -2.835 1.00 0.00 H new ATOM 0 HB2 MET A 33 1.638 8.346 -0.675 1.00 0.00 H new ATOM 0 HB3 MET A 33 1.906 10.062 -0.447 1.00 0.00 H new ATOM 0 HG2 MET A 33 -0.363 10.402 0.284 1.00 0.00 H new ATOM 0 HG3 MET A 33 -0.819 8.773 -0.175 1.00 0.00 H new ATOM 0 HE1 MET A 33 -0.432 9.950 3.658 1.00 0.00 H new ATOM 0 HE2 MET A 33 -0.988 10.580 2.089 1.00 0.00 H new ATOM 0 HE3 MET A 33 -1.657 9.058 2.725 1.00 0.00 H new ATOM 555 N PHE A 34 -1.465 9.427 -2.620 1.00 0.00 N ATOM 556 CA PHE A 34 -2.762 8.903 -3.055 1.00 0.00 C ATOM 557 C PHE A 34 -2.810 8.585 -4.546 1.00 0.00 C ATOM 558 O PHE A 34 -3.587 7.727 -4.931 1.00 0.00 O ATOM 559 CB PHE A 34 -3.882 9.880 -2.698 1.00 0.00 C ATOM 560 CG PHE A 34 -4.461 9.552 -1.330 1.00 0.00 C ATOM 561 CD1 PHE A 34 -5.077 8.318 -1.118 1.00 0.00 C ATOM 562 CD2 PHE A 34 -4.464 10.507 -0.315 1.00 0.00 C ATOM 563 CE1 PHE A 34 -5.684 8.040 0.088 1.00 0.00 C ATOM 564 CE2 PHE A 34 -5.074 10.230 0.886 1.00 0.00 C ATOM 565 CZ PHE A 34 -5.682 8.995 1.099 1.00 0.00 C ATOM 0 H PHE A 34 -1.518 10.380 -2.259 1.00 0.00 H new ATOM 0 HA PHE A 34 -2.906 7.963 -2.522 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.497 10.900 -2.701 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -4.667 9.833 -3.452 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -5.078 7.577 -1.903 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -3.988 11.464 -0.471 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -6.160 7.084 0.247 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -5.082 10.974 1.669 1.00 0.00 H new ATOM 0 HZ PHE A 34 -6.151 8.779 2.048 1.00 0.00 H new ATOM 575 N GLU A 35 -1.929 9.200 -5.329 1.00 0.00 N ATOM 576 CA GLU A 35 -1.815 8.968 -6.779 1.00 0.00 C ATOM 577 C GLU A 35 -0.959 7.736 -7.112 1.00 0.00 C ATOM 578 O GLU A 35 -1.344 6.940 -7.962 1.00 0.00 O ATOM 579 CB GLU A 35 -1.232 10.223 -7.427 1.00 0.00 C ATOM 580 CG GLU A 35 -1.440 10.211 -8.942 1.00 0.00 C ATOM 581 CD GLU A 35 -2.075 11.512 -9.441 1.00 0.00 C ATOM 582 OE1 GLU A 35 -2.988 12.025 -8.755 1.00 0.00 O ATOM 583 OE2 GLU A 35 -1.661 11.943 -10.539 1.00 0.00 O ATOM 0 H GLU A 35 -1.261 9.885 -4.976 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.809 8.763 -7.176 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.703 11.108 -7.000 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.167 10.289 -7.204 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.482 10.061 -9.439 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.076 9.369 -9.215 1.00 0.00 H new ATOM 590 N VAL A 36 0.138 7.548 -6.383 1.00 0.00 N ATOM 591 CA VAL A 36 1.010 6.370 -6.577 1.00 0.00 C ATOM 592 C VAL A 36 0.476 5.128 -5.829 1.00 0.00 C ATOM 593 O VAL A 36 0.727 3.998 -6.235 1.00 0.00 O ATOM 594 CB VAL A 36 2.469 6.732 -6.256 1.00 0.00 C ATOM 595 CG1 VAL A 36 2.673 7.012 -4.772 1.00 0.00 C ATOM 596 CG2 VAL A 36 3.452 5.681 -6.776 1.00 0.00 C ATOM 0 H VAL A 36 0.452 8.188 -5.653 1.00 0.00 H new ATOM 0 HA VAL A 36 0.992 6.079 -7.627 1.00 0.00 H new ATOM 0 HB VAL A 36 2.686 7.658 -6.789 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.718 7.264 -4.589 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.040 7.846 -4.469 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.407 6.127 -4.195 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.470 5.980 -6.526 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.233 4.718 -6.315 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.355 5.596 -7.858 1.00 0.00 H new ATOM 606 N LEU A 37 -0.279 5.383 -4.761 1.00 0.00 N ATOM 607 CA LEU A 37 -0.997 4.359 -3.985 1.00 0.00 C ATOM 608 C LEU A 37 -2.409 4.069 -4.526 1.00 0.00 C ATOM 609 O LEU A 37 -2.916 2.966 -4.344 1.00 0.00 O ATOM 610 CB LEU A 37 -1.026 4.764 -2.511 1.00 0.00 C ATOM 611 CG LEU A 37 -0.851 3.544 -1.604 1.00 0.00 C ATOM 612 CD1 LEU A 37 0.509 3.535 -0.907 1.00 0.00 C ATOM 613 CD2 LEU A 37 -1.948 3.533 -0.558 1.00 0.00 C ATOM 0 H LEU A 37 -0.415 6.327 -4.399 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.452 3.421 -4.089 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.234 5.486 -2.313 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.971 5.258 -2.284 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.910 2.655 -2.232 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.588 2.651 -0.274 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.301 3.517 -1.655 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.609 4.430 -0.294 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.825 2.665 0.089 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.890 4.442 0.040 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.919 3.484 -1.050 1.00 0.00 H new ATOM 625 N GLU A 38 -2.898 4.933 -5.420 1.00 0.00 N ATOM 626 CA GLU A 38 -4.161 4.738 -6.167 1.00 0.00 C ATOM 627 C GLU A 38 -4.152 3.410 -6.955 1.00 0.00 C ATOM 628 O GLU A 38 -5.021 2.578 -6.682 1.00 0.00 O ATOM 629 CB GLU A 38 -4.424 5.917 -7.116 1.00 0.00 C ATOM 630 CG GLU A 38 -5.681 6.715 -6.759 1.00 0.00 C ATOM 631 CD GLU A 38 -6.861 6.419 -7.684 1.00 0.00 C ATOM 632 OE1 GLU A 38 -7.069 5.226 -8.001 1.00 0.00 O ATOM 633 OE2 GLU A 38 -7.542 7.403 -8.040 1.00 0.00 O ATOM 0 H GLU A 38 -2.425 5.806 -5.655 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.968 4.692 -5.436 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.562 6.585 -7.102 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -4.519 5.540 -8.134 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.967 6.491 -5.731 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -5.452 7.780 -6.801 1.00 0.00 H new ATOM 640 N PRO A 39 -3.108 3.096 -7.751 1.00 0.00 N ATOM 641 CA PRO A 39 -3.005 1.782 -8.408 1.00 0.00 C ATOM 642 C PRO A 39 -2.730 0.653 -7.410 1.00 0.00 C ATOM 643 O PRO A 39 -3.281 -0.428 -7.569 1.00 0.00 O ATOM 644 CB PRO A 39 -1.893 1.922 -9.447 1.00 0.00 C ATOM 645 CG PRO A 39 -0.964 2.962 -8.830 1.00 0.00 C ATOM 646 CD PRO A 39 -1.933 3.912 -8.129 1.00 0.00 C ATOM 0 HA PRO A 39 -3.948 1.504 -8.879 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -1.380 0.975 -9.617 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -2.282 2.251 -10.410 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -0.262 2.511 -8.129 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -0.372 3.475 -9.588 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -1.471 4.360 -7.249 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -2.223 4.730 -8.789 1.00 0.00 H new ATOM 654 N LEU A 40 -2.097 0.971 -6.286 1.00 0.00 N ATOM 655 CA LEU A 40 -1.795 -0.017 -5.236 1.00 0.00 C ATOM 656 C LEU A 40 -3.037 -0.405 -4.415 1.00 0.00 C ATOM 657 O LEU A 40 -2.975 -1.279 -3.564 1.00 0.00 O ATOM 658 CB LEU A 40 -0.741 0.541 -4.289 1.00 0.00 C ATOM 659 CG LEU A 40 0.408 1.291 -4.958 1.00 0.00 C ATOM 660 CD1 LEU A 40 1.292 1.670 -3.797 1.00 0.00 C ATOM 661 CD2 LEU A 40 1.223 0.542 -6.017 1.00 0.00 C ATOM 0 H LEU A 40 -1.777 1.915 -6.070 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.430 -0.912 -5.741 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.230 1.213 -3.584 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.326 -0.283 -3.708 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.005 2.114 -5.542 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.159 2.220 -4.164 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.732 2.297 -3.103 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.625 0.768 -3.284 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.003 1.196 -6.405 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.679 -0.340 -5.568 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.567 0.236 -6.832 1.00 0.00 H new ATOM 673 N HIS A 41 -4.105 0.363 -4.593 1.00 0.00 N ATOM 674 CA HIS A 41 -5.452 0.071 -4.080 1.00 0.00 C ATOM 675 C HIS A 41 -6.222 -0.893 -4.997 1.00 0.00 C ATOM 676 O HIS A 41 -6.899 -1.797 -4.518 1.00 0.00 O ATOM 677 CB HIS A 41 -6.158 1.417 -3.954 1.00 0.00 C ATOM 678 CG HIS A 41 -7.686 1.332 -3.811 1.00 0.00 C ATOM 679 ND1 HIS A 41 -8.372 0.622 -2.927 1.00 0.00 N ATOM 680 CD2 HIS A 41 -8.525 1.828 -4.706 1.00 0.00 C ATOM 681 CE1 HIS A 41 -9.659 0.675 -3.287 1.00 0.00 C ATOM 682 NE2 HIS A 41 -9.750 1.418 -4.381 1.00 0.00 N ATOM 0 H HIS A 41 -4.063 1.238 -5.116 1.00 0.00 H new ATOM 0 HA HIS A 41 -5.399 -0.436 -3.117 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -5.755 1.943 -3.089 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -5.922 2.019 -4.832 1.00 0.00 H new ATOM 0 HD1 HIS A 41 -7.989 0.127 -2.121 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -8.264 2.452 -5.548 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -10.481 0.196 -2.776 1.00 0.00 H new ATOM 690 N ALA A 42 -6.049 -0.711 -6.302 1.00 0.00 N ATOM 691 CA ALA A 42 -6.750 -1.501 -7.333 1.00 0.00 C ATOM 692 C ALA A 42 -6.017 -2.814 -7.648 1.00 0.00 C ATOM 693 O ALA A 42 -6.597 -3.891 -7.516 1.00 0.00 O ATOM 694 CB ALA A 42 -6.928 -0.643 -8.588 1.00 0.00 C ATOM 0 H ALA A 42 -5.416 -0.009 -6.686 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.731 -1.784 -6.950 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.445 -1.221 -9.354 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.515 0.242 -8.343 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.951 -0.338 -8.962 1.00 0.00 H new ATOM 700 N MET A 43 -4.693 -2.711 -7.760 1.00 0.00 N ATOM 701 CA MET A 43 -3.766 -3.853 -7.903 1.00 0.00 C ATOM 702 C MET A 43 -3.692 -4.749 -6.653 1.00 0.00 C ATOM 703 O MET A 43 -3.048 -5.788 -6.676 1.00 0.00 O ATOM 704 CB MET A 43 -2.357 -3.379 -8.275 1.00 0.00 C ATOM 705 CG MET A 43 -2.300 -2.754 -9.672 1.00 0.00 C ATOM 706 SD MET A 43 -1.022 -3.519 -10.734 1.00 0.00 S ATOM 707 CE MET A 43 -0.834 -2.237 -11.953 1.00 0.00 C ATOM 0 H MET A 43 -4.214 -1.810 -7.755 1.00 0.00 H new ATOM 0 HA MET A 43 -4.178 -4.459 -8.710 1.00 0.00 H new ATOM 0 HB2 MET A 43 -2.016 -2.650 -7.540 1.00 0.00 H new ATOM 0 HB3 MET A 43 -1.669 -4.223 -8.229 1.00 0.00 H new ATOM 0 HG2 MET A 43 -3.274 -2.856 -10.151 1.00 0.00 H new ATOM 0 HG3 MET A 43 -2.100 -1.687 -9.580 1.00 0.00 H new ATOM 0 HE1 MET A 43 -0.086 -2.539 -12.686 1.00 0.00 H new ATOM 0 HE2 MET A 43 -1.787 -2.070 -12.455 1.00 0.00 H new ATOM 0 HE3 MET A 43 -0.514 -1.316 -11.466 1.00 0.00 H new ATOM 717 N MET A 44 -4.272 -4.293 -5.543 1.00 0.00 N ATOM 718 CA MET A 44 -4.400 -5.114 -4.322 1.00 0.00 C ATOM 719 C MET A 44 -5.830 -5.644 -4.097 1.00 0.00 C ATOM 720 O MET A 44 -6.032 -6.552 -3.293 1.00 0.00 O ATOM 721 CB MET A 44 -3.915 -4.349 -3.081 1.00 0.00 C ATOM 722 CG MET A 44 -4.917 -3.312 -2.567 1.00 0.00 C ATOM 723 SD MET A 44 -4.345 -2.336 -1.136 1.00 0.00 S ATOM 724 CE MET A 44 -5.834 -1.395 -0.894 1.00 0.00 C ATOM 0 H MET A 44 -4.665 -3.356 -5.457 1.00 0.00 H new ATOM 0 HA MET A 44 -3.758 -5.981 -4.477 1.00 0.00 H new ATOM 0 HB2 MET A 44 -3.704 -5.063 -2.285 1.00 0.00 H new ATOM 0 HB3 MET A 44 -2.976 -3.848 -3.318 1.00 0.00 H new ATOM 0 HG2 MET A 44 -5.160 -2.629 -3.381 1.00 0.00 H new ATOM 0 HG3 MET A 44 -5.840 -3.824 -2.294 1.00 0.00 H new ATOM 0 HE1 MET A 44 -5.657 -0.356 -1.170 1.00 0.00 H new ATOM 0 HE2 MET A 44 -6.629 -1.805 -1.517 1.00 0.00 H new ATOM 0 HE3 MET A 44 -6.131 -1.446 0.154 1.00 0.00 H new ATOM 734 N GLU A 45 -6.806 -4.940 -4.675 1.00 0.00 N ATOM 735 CA GLU A 45 -8.235 -5.260 -4.514 1.00 0.00 C ATOM 736 C GLU A 45 -8.733 -6.254 -5.571 1.00 0.00 C ATOM 737 O GLU A 45 -9.599 -7.060 -5.243 1.00 0.00 O ATOM 738 CB GLU A 45 -9.069 -3.973 -4.526 1.00 0.00 C ATOM 739 CG GLU A 45 -10.486 -4.150 -3.962 1.00 0.00 C ATOM 740 CD GLU A 45 -11.467 -4.838 -4.921 1.00 0.00 C ATOM 741 OE1 GLU A 45 -11.520 -4.403 -6.093 1.00 0.00 O ATOM 742 OE2 GLU A 45 -12.221 -5.706 -4.429 1.00 0.00 O ATOM 0 H GLU A 45 -6.632 -4.130 -5.270 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.357 -5.750 -3.548 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.550 -3.209 -3.947 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.138 -3.605 -5.550 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.428 -4.731 -3.042 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -10.883 -3.171 -3.696 1.00 0.00 H new ATOM 749 N ARG A 46 -8.146 -6.222 -6.773 1.00 0.00 N ATOM 750 CA ARG A 46 -8.485 -7.140 -7.886 1.00 0.00 C ATOM 751 C ARG A 46 -8.590 -8.604 -7.418 1.00 0.00 C ATOM 752 O ARG A 46 -9.428 -9.366 -7.891 1.00 0.00 O ATOM 753 CB ARG A 46 -7.404 -7.050 -8.969 1.00 0.00 C ATOM 754 CG ARG A 46 -7.985 -7.354 -10.353 1.00 0.00 C ATOM 755 CD ARG A 46 -8.625 -6.092 -10.932 1.00 0.00 C ATOM 756 NE ARG A 46 -9.992 -6.349 -11.415 1.00 0.00 N ATOM 757 CZ ARG A 46 -10.729 -5.500 -12.139 1.00 0.00 C ATOM 758 NH1 ARG A 46 -10.251 -4.329 -12.540 1.00 0.00 N ATOM 759 NH2 ARG A 46 -11.963 -5.820 -12.496 1.00 0.00 N ATOM 0 H ARG A 46 -7.413 -5.554 -7.011 1.00 0.00 H new ATOM 0 HA ARG A 46 -9.456 -6.835 -8.276 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -6.964 -6.053 -8.967 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.601 -7.753 -8.746 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.199 -7.712 -11.017 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.727 -8.149 -10.280 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -8.648 -5.313 -10.170 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -8.013 -5.717 -11.753 1.00 0.00 H new ATOM 0 HE ARG A 46 -10.411 -7.248 -11.178 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -9.299 -4.057 -12.297 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -10.836 -3.701 -13.091 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -12.357 -6.719 -12.219 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -12.520 -5.168 -13.048 1.00 0.00 H new ATOM 773 N GLY A 47 -7.713 -8.931 -6.460 1.00 0.00 N ATOM 774 CA GLY A 47 -7.747 -10.196 -5.717 1.00 0.00 C ATOM 775 C GLY A 47 -6.333 -10.780 -5.607 1.00 0.00 C ATOM 776 O GLY A 47 -5.374 -10.011 -5.685 1.00 0.00 O ATOM 0 H GLY A 47 -6.950 -8.316 -6.176 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -8.159 -10.031 -4.722 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.404 -10.905 -6.221 1.00 0.00 H new ATOM 780 N PRO A 48 -6.200 -12.072 -5.291 1.00 0.00 N ATOM 781 CA PRO A 48 -4.883 -12.733 -5.255 1.00 0.00 C ATOM 782 C PRO A 48 -4.401 -13.007 -6.688 1.00 0.00 C ATOM 783 O PRO A 48 -4.965 -12.493 -7.652 1.00 0.00 O ATOM 784 CB PRO A 48 -5.139 -13.995 -4.424 1.00 0.00 C ATOM 785 CG PRO A 48 -6.589 -14.359 -4.747 1.00 0.00 C ATOM 786 CD PRO A 48 -7.277 -13.002 -4.884 1.00 0.00 C ATOM 0 HA PRO A 48 -4.083 -12.140 -4.811 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -4.455 -14.799 -4.697 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -5.002 -13.807 -3.359 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -6.661 -14.940 -5.666 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -7.038 -14.958 -3.955 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -8.073 -13.035 -5.628 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -7.732 -12.693 -3.943 1.00 0.00 H new ATOM 794 N GLN A 49 -3.371 -13.836 -6.812 1.00 0.00 N ATOM 795 CA GLN A 49 -2.846 -14.246 -8.130 1.00 0.00 C ATOM 796 C GLN A 49 -2.357 -15.702 -8.060 1.00 0.00 C ATOM 797 O GLN A 49 -2.734 -16.412 -7.132 1.00 0.00 O ATOM 798 CB GLN A 49 -1.711 -13.286 -8.491 1.00 0.00 C ATOM 799 CG GLN A 49 -1.728 -12.874 -9.964 1.00 0.00 C ATOM 800 CD GLN A 49 -2.644 -11.675 -10.230 1.00 0.00 C ATOM 801 OE1 GLN A 49 -3.263 -11.074 -9.367 1.00 0.00 O ATOM 802 NE2 GLN A 49 -2.631 -11.209 -11.454 1.00 0.00 N ATOM 0 H GLN A 49 -2.875 -14.244 -6.020 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.617 -14.200 -8.899 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.784 -12.394 -7.868 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -0.756 -13.758 -8.262 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.714 -12.629 -10.281 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.056 -13.719 -10.570 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.117 -11.704 -12.183 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.135 -10.351 -11.679 1.00 0.00 H new ATOM 811 N THR A 50 -1.376 -16.030 -8.910 1.00 0.00 N ATOM 812 CA THR A 50 -0.656 -17.324 -8.977 1.00 0.00 C ATOM 813 C THR A 50 -0.466 -17.949 -7.581 1.00 0.00 C ATOM 814 O THR A 50 -1.288 -18.756 -7.156 1.00 0.00 O ATOM 815 CB THR A 50 0.663 -17.221 -9.795 1.00 0.00 C ATOM 816 OG1 THR A 50 1.517 -18.335 -9.512 1.00 0.00 O ATOM 817 CG2 THR A 50 1.447 -15.909 -9.626 1.00 0.00 C ATOM 0 H THR A 50 -1.039 -15.370 -9.611 1.00 0.00 H new ATOM 0 HA THR A 50 -1.288 -18.019 -9.530 1.00 0.00 H new ATOM 0 HB THR A 50 0.340 -17.232 -10.836 1.00 0.00 H new ATOM 0 HG1 THR A 50 2.342 -18.256 -10.036 1.00 0.00 H new ATOM 0 HG21 THR A 50 2.348 -15.942 -10.239 1.00 0.00 H new ATOM 0 HG22 THR A 50 0.825 -15.071 -9.940 1.00 0.00 H new ATOM 0 HG23 THR A 50 1.724 -15.783 -8.579 1.00 0.00 H new ATOM 825 N LEU A 51 0.605 -17.521 -6.915 1.00 0.00 N ATOM 826 CA LEU A 51 0.967 -17.889 -5.529 1.00 0.00 C ATOM 827 C LEU A 51 2.260 -17.181 -5.076 1.00 0.00 C ATOM 828 O LEU A 51 3.112 -17.734 -4.386 1.00 0.00 O ATOM 829 CB LEU A 51 1.132 -19.416 -5.452 1.00 0.00 C ATOM 830 CG LEU A 51 0.534 -20.021 -4.178 1.00 0.00 C ATOM 831 CD1 LEU A 51 -0.987 -19.840 -4.107 1.00 0.00 C ATOM 832 CD2 LEU A 51 0.886 -21.506 -4.133 1.00 0.00 C ATOM 0 H LEU A 51 1.279 -16.881 -7.336 1.00 0.00 H new ATOM 0 HA LEU A 51 0.172 -17.566 -4.856 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.657 -19.871 -6.321 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.192 -19.664 -5.502 1.00 0.00 H new ATOM 0 HG LEU A 51 0.956 -19.499 -3.319 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.364 -20.285 -3.186 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.228 -18.777 -4.121 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.452 -20.329 -4.963 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.467 -21.952 -3.231 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.473 -22.005 -5.010 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.970 -21.623 -4.126 1.00 0.00 H new ATOM 844 N LYS A 52 2.433 -15.955 -5.568 1.00 0.00 N ATOM 845 CA LYS A 52 3.614 -15.134 -5.236 1.00 0.00 C ATOM 846 C LYS A 52 3.224 -13.799 -4.581 1.00 0.00 C ATOM 847 O LYS A 52 3.644 -13.471 -3.472 1.00 0.00 O ATOM 848 CB LYS A 52 4.478 -14.939 -6.490 1.00 0.00 C ATOM 849 CG LYS A 52 5.129 -16.236 -6.973 1.00 0.00 C ATOM 850 CD LYS A 52 6.632 -16.050 -7.174 1.00 0.00 C ATOM 851 CE LYS A 52 7.405 -17.022 -6.280 1.00 0.00 C ATOM 852 NZ LYS A 52 8.852 -16.929 -6.518 1.00 0.00 N ATOM 0 H LYS A 52 1.773 -15.501 -6.200 1.00 0.00 H new ATOM 0 HA LYS A 52 4.208 -15.665 -4.492 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.861 -14.529 -7.290 1.00 0.00 H new ATOM 0 HB3 LYS A 52 5.256 -14.205 -6.279 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.951 -17.029 -6.247 1.00 0.00 H new ATOM 0 HG3 LYS A 52 4.669 -16.552 -7.910 1.00 0.00 H new ATOM 0 HD2 LYS A 52 6.891 -16.220 -8.219 1.00 0.00 H new ATOM 0 HD3 LYS A 52 6.914 -15.024 -6.939 1.00 0.00 H new ATOM 0 HE2 LYS A 52 7.192 -16.805 -5.233 1.00 0.00 H new ATOM 0 HE3 LYS A 52 7.068 -18.041 -6.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 9.350 -17.599 -5.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 9.056 -17.159 -7.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 9.176 -15.962 -6.313 1.00 0.00 H new ATOM 866 N GLU A 53 2.324 -13.075 -5.241 1.00 0.00 N ATOM 867 CA GLU A 53 1.758 -11.812 -4.725 1.00 0.00 C ATOM 868 C GLU A 53 0.568 -12.016 -3.765 1.00 0.00 C ATOM 869 O GLU A 53 -0.534 -11.497 -3.947 1.00 0.00 O ATOM 870 CB GLU A 53 1.467 -10.830 -5.871 1.00 0.00 C ATOM 871 CG GLU A 53 0.614 -11.360 -7.026 1.00 0.00 C ATOM 872 CD GLU A 53 1.422 -11.889 -8.215 1.00 0.00 C ATOM 873 OE1 GLU A 53 2.063 -12.951 -8.033 1.00 0.00 O ATOM 874 OE2 GLU A 53 1.313 -11.282 -9.296 1.00 0.00 O ATOM 0 H GLU A 53 1.959 -13.342 -6.155 1.00 0.00 H new ATOM 0 HA GLU A 53 2.522 -11.351 -4.100 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.969 -9.956 -5.452 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.419 -10.490 -6.278 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.026 -12.159 -6.652 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.042 -10.562 -7.374 1.00 0.00 H new ATOM 881 N THR A 54 0.882 -12.705 -2.670 1.00 0.00 N ATOM 882 CA THR A 54 -0.078 -13.092 -1.606 1.00 0.00 C ATOM 883 C THR A 54 0.662 -13.304 -0.264 1.00 0.00 C ATOM 884 O THR A 54 0.517 -14.300 0.436 1.00 0.00 O ATOM 885 CB THR A 54 -0.947 -14.278 -2.106 1.00 0.00 C ATOM 886 OG1 THR A 54 -1.761 -13.798 -3.182 1.00 0.00 O ATOM 887 CG2 THR A 54 -1.886 -14.938 -1.087 1.00 0.00 C ATOM 0 H THR A 54 1.832 -13.024 -2.481 1.00 0.00 H new ATOM 0 HA THR A 54 -0.786 -12.291 -1.392 1.00 0.00 H new ATOM 0 HB THR A 54 -0.229 -15.052 -2.377 1.00 0.00 H new ATOM 0 HG1 THR A 54 -2.321 -14.528 -3.520 1.00 0.00 H new ATOM 0 HG21 THR A 54 -2.432 -15.750 -1.568 1.00 0.00 H new ATOM 0 HG22 THR A 54 -1.301 -15.336 -0.258 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.593 -14.198 -0.711 1.00 0.00 H new ATOM 895 N SER A 55 1.517 -12.338 0.073 1.00 0.00 N ATOM 896 CA SER A 55 2.202 -12.320 1.389 1.00 0.00 C ATOM 897 C SER A 55 1.477 -11.413 2.395 1.00 0.00 C ATOM 898 O SER A 55 1.270 -11.762 3.558 1.00 0.00 O ATOM 899 CB SER A 55 3.670 -11.892 1.271 1.00 0.00 C ATOM 900 OG SER A 55 3.799 -10.530 0.841 1.00 0.00 O ATOM 0 H SER A 55 1.758 -11.556 -0.536 1.00 0.00 H new ATOM 0 HA SER A 55 2.174 -13.345 1.759 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.163 -12.016 2.235 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.183 -12.545 0.565 1.00 0.00 H new ATOM 0 HG SER A 55 4.748 -10.295 0.780 1.00 0.00 H new ATOM 906 N PHE A 56 0.985 -10.294 1.870 1.00 0.00 N ATOM 907 CA PHE A 56 0.185 -9.311 2.613 1.00 0.00 C ATOM 908 C PHE A 56 -1.231 -9.825 2.903 1.00 0.00 C ATOM 909 O PHE A 56 -1.539 -10.083 4.048 1.00 0.00 O ATOM 910 CB PHE A 56 0.171 -7.959 1.891 1.00 0.00 C ATOM 911 CG PHE A 56 -0.483 -8.015 0.516 1.00 0.00 C ATOM 912 CD1 PHE A 56 0.277 -8.382 -0.592 1.00 0.00 C ATOM 913 CD2 PHE A 56 -1.859 -7.826 0.388 1.00 0.00 C ATOM 914 CE1 PHE A 56 -0.332 -8.557 -1.815 1.00 0.00 C ATOM 915 CE2 PHE A 56 -2.468 -8.014 -0.836 1.00 0.00 C ATOM 916 CZ PHE A 56 -1.710 -8.375 -1.946 1.00 0.00 C ATOM 0 H PHE A 56 1.132 -10.035 0.894 1.00 0.00 H new ATOM 0 HA PHE A 56 0.662 -9.161 3.582 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -0.357 -7.232 2.507 1.00 0.00 H new ATOM 0 HB3 PHE A 56 1.195 -7.602 1.784 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.342 -8.529 -0.492 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -2.447 -7.533 1.245 1.00 0.00 H new ATOM 0 HE1 PHE A 56 0.258 -8.836 -2.675 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -3.535 -7.881 -0.933 1.00 0.00 H new ATOM 0 HZ PHE A 56 -2.186 -8.514 -2.905 1.00 0.00 H new ATOM 926 N ASN A 57 -1.945 -10.256 1.865 1.00 0.00 N ATOM 927 CA ASN A 57 -3.306 -10.812 2.017 1.00 0.00 C ATOM 928 C ASN A 57 -3.363 -12.073 2.899 1.00 0.00 C ATOM 929 O ASN A 57 -4.419 -12.449 3.398 1.00 0.00 O ATOM 930 CB ASN A 57 -3.892 -11.105 0.636 1.00 0.00 C ATOM 931 CG ASN A 57 -5.333 -10.601 0.526 1.00 0.00 C ATOM 932 OD1 ASN A 57 -6.071 -10.432 1.486 1.00 0.00 O ATOM 933 ND2 ASN A 57 -5.731 -10.265 -0.677 1.00 0.00 N ATOM 0 H ASN A 57 -1.610 -10.234 0.902 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.901 -10.058 2.532 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -3.279 -10.630 -0.130 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -3.864 -12.178 0.447 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -6.658 -9.862 -0.813 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -5.114 -10.407 -1.477 1.00 0.00 H new ATOM 940 N GLN A 58 -2.194 -12.679 3.098 1.00 0.00 N ATOM 941 CA GLN A 58 -2.027 -13.859 3.957 1.00 0.00 C ATOM 942 C GLN A 58 -2.083 -13.463 5.449 1.00 0.00 C ATOM 943 O GLN A 58 -2.957 -13.927 6.176 1.00 0.00 O ATOM 944 CB GLN A 58 -0.699 -14.542 3.603 1.00 0.00 C ATOM 945 CG GLN A 58 -0.686 -16.043 3.928 1.00 0.00 C ATOM 946 CD GLN A 58 -1.104 -16.338 5.371 1.00 0.00 C ATOM 947 OE1 GLN A 58 -0.479 -15.916 6.336 1.00 0.00 O ATOM 948 NE2 GLN A 58 -2.264 -16.932 5.532 1.00 0.00 N ATOM 0 H GLN A 58 -1.325 -12.365 2.665 1.00 0.00 H new ATOM 0 HA GLN A 58 -2.843 -14.560 3.785 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -0.499 -14.405 2.540 1.00 0.00 H new ATOM 0 HB3 GLN A 58 0.110 -14.052 4.145 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -1.357 -16.564 3.246 1.00 0.00 H new ATOM 0 HG3 GLN A 58 0.315 -16.439 3.755 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -2.776 -17.280 4.721 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -2.653 -17.046 6.468 1.00 0.00 H new ATOM 957 N ALA A 59 -1.224 -12.526 5.855 1.00 0.00 N ATOM 958 CA ALA A 59 -1.122 -12.099 7.269 1.00 0.00 C ATOM 959 C ALA A 59 -1.443 -10.609 7.462 1.00 0.00 C ATOM 960 O ALA A 59 -2.319 -10.223 8.239 1.00 0.00 O ATOM 961 CB ALA A 59 0.279 -12.420 7.800 1.00 0.00 C ATOM 0 H ALA A 59 -0.582 -12.041 5.228 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.870 -12.653 7.836 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.354 -12.106 8.841 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.457 -13.493 7.731 1.00 0.00 H new ATOM 0 HB3 ALA A 59 1.024 -11.890 7.206 1.00 0.00 H new ATOM 967 N TYR A 60 -0.813 -9.799 6.628 1.00 0.00 N ATOM 968 CA TYR A 60 -0.999 -8.342 6.506 1.00 0.00 C ATOM 969 C TYR A 60 -2.321 -8.009 5.772 1.00 0.00 C ATOM 970 O TYR A 60 -2.386 -7.083 4.971 1.00 0.00 O ATOM 971 CB TYR A 60 0.225 -7.764 5.763 1.00 0.00 C ATOM 972 CG TYR A 60 1.588 -8.425 6.011 1.00 0.00 C ATOM 973 CD1 TYR A 60 1.874 -9.083 7.205 1.00 0.00 C ATOM 974 CD2 TYR A 60 2.530 -8.468 4.986 1.00 0.00 C ATOM 975 CE1 TYR A 60 3.047 -9.783 7.365 1.00 0.00 C ATOM 976 CE2 TYR A 60 3.728 -9.145 5.146 1.00 0.00 C ATOM 977 CZ TYR A 60 3.984 -9.821 6.335 1.00 0.00 C ATOM 978 OH TYR A 60 5.164 -10.446 6.546 1.00 0.00 O ATOM 0 H TYR A 60 -0.114 -10.151 5.974 1.00 0.00 H new ATOM 0 HA TYR A 60 -1.073 -7.890 7.495 1.00 0.00 H new ATOM 0 HB2 TYR A 60 0.020 -7.809 4.693 1.00 0.00 H new ATOM 0 HB3 TYR A 60 0.311 -6.710 6.027 1.00 0.00 H new ATOM 0 HD1 TYR A 60 1.164 -9.043 8.018 1.00 0.00 H new ATOM 0 HD2 TYR A 60 2.323 -7.966 4.052 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.242 -10.304 8.291 1.00 0.00 H new ATOM 0 HE2 TYR A 60 4.460 -9.148 4.352 1.00 0.00 H new ATOM 0 HH TYR A 60 5.713 -10.391 5.736 1.00 0.00 H new ATOM 988 N GLY A 61 -3.395 -8.749 6.087 1.00 0.00 N ATOM 989 CA GLY A 61 -4.761 -8.510 5.558 1.00 0.00 C ATOM 990 C GLY A 61 -5.344 -7.141 5.967 1.00 0.00 C ATOM 991 O GLY A 61 -6.276 -6.626 5.355 1.00 0.00 O ATOM 0 H GLY A 61 -3.346 -9.543 6.725 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.739 -8.577 4.470 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.424 -9.300 5.912 1.00 0.00 H new ATOM 995 N ARG A 62 -4.708 -6.543 6.970 1.00 0.00 N ATOM 996 CA ARG A 62 -5.060 -5.219 7.524 1.00 0.00 C ATOM 997 C ARG A 62 -4.094 -4.092 7.114 1.00 0.00 C ATOM 998 O ARG A 62 -4.328 -2.928 7.430 1.00 0.00 O ATOM 999 CB ARG A 62 -5.123 -5.294 9.051 1.00 0.00 C ATOM 1000 CG ARG A 62 -6.351 -6.047 9.568 1.00 0.00 C ATOM 1001 CD ARG A 62 -5.911 -7.288 10.343 1.00 0.00 C ATOM 1002 NE ARG A 62 -6.939 -7.640 11.334 1.00 0.00 N ATOM 1003 CZ ARG A 62 -6.771 -8.466 12.374 1.00 0.00 C ATOM 1004 NH1 ARG A 62 -5.619 -9.087 12.592 1.00 0.00 N ATOM 1005 NH2 ARG A 62 -7.762 -8.674 13.225 1.00 0.00 N ATOM 0 H ARG A 62 -3.910 -6.970 7.440 1.00 0.00 H new ATOM 0 HA ARG A 62 -6.033 -4.967 7.103 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.222 -5.783 9.422 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.127 -4.283 9.458 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -6.943 -5.396 10.212 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -6.989 -6.336 8.733 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -5.752 -8.120 9.657 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.960 -7.100 10.841 1.00 0.00 H new ATOM 0 HE ARG A 62 -7.860 -7.218 11.219 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -4.833 -8.940 11.959 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -5.520 -9.711 13.393 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -8.657 -8.204 13.090 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -7.631 -9.304 14.016 1.00 0.00 H new ATOM 1019 N ASP A 63 -3.050 -4.457 6.361 1.00 0.00 N ATOM 1020 CA ASP A 63 -2.044 -3.527 5.799 1.00 0.00 C ATOM 1021 C ASP A 63 -2.686 -2.607 4.735 1.00 0.00 C ATOM 1022 O ASP A 63 -3.862 -2.295 4.861 1.00 0.00 O ATOM 1023 CB ASP A 63 -0.888 -4.377 5.246 1.00 0.00 C ATOM 1024 CG ASP A 63 -1.049 -4.994 3.842 1.00 0.00 C ATOM 1025 OD1 ASP A 63 -2.194 -5.087 3.337 1.00 0.00 O ATOM 1026 OD2 ASP A 63 0.010 -5.172 3.209 1.00 0.00 O ATOM 0 H ASP A 63 -2.870 -5.430 6.115 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.652 -2.857 6.564 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.008 -3.756 5.237 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.706 -5.190 5.949 1.00 0.00 H new ATOM 1031 N LEU A 64 -1.964 -2.263 3.660 1.00 0.00 N ATOM 1032 CA LEU A 64 -2.486 -1.590 2.446 1.00 0.00 C ATOM 1033 C LEU A 64 -3.983 -1.773 2.154 1.00 0.00 C ATOM 1034 O LEU A 64 -4.703 -0.784 2.114 1.00 0.00 O ATOM 1035 CB LEU A 64 -1.683 -1.982 1.203 1.00 0.00 C ATOM 1036 CG LEU A 64 -0.353 -1.234 1.151 1.00 0.00 C ATOM 1037 CD1 LEU A 64 0.793 -2.170 1.525 1.00 0.00 C ATOM 1038 CD2 LEU A 64 -0.160 -0.594 -0.223 1.00 0.00 C ATOM 0 H LEU A 64 -0.963 -2.449 3.602 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.361 -0.533 2.680 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.500 -3.056 1.208 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.263 -1.762 0.307 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.360 -0.426 1.883 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.736 -1.625 1.484 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.637 -2.551 2.534 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.825 -3.004 0.824 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.792 -0.064 -0.247 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.163 -1.369 -0.989 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.971 0.108 -0.414 1.00 0.00 H new ATOM 1050 N MET A 65 -4.440 -3.030 2.184 1.00 0.00 N ATOM 1051 CA MET A 65 -5.865 -3.418 2.101 1.00 0.00 C ATOM 1052 C MET A 65 -6.783 -2.474 2.911 1.00 0.00 C ATOM 1053 O MET A 65 -7.450 -1.629 2.315 1.00 0.00 O ATOM 1054 CB MET A 65 -5.944 -4.873 2.572 1.00 0.00 C ATOM 1055 CG MET A 65 -7.118 -5.649 1.975 1.00 0.00 C ATOM 1056 SD MET A 65 -8.768 -5.155 2.592 1.00 0.00 S ATOM 1057 CE MET A 65 -9.601 -6.708 2.348 1.00 0.00 C ATOM 0 H MET A 65 -3.816 -3.833 2.269 1.00 0.00 H new ATOM 0 HA MET A 65 -6.231 -3.329 1.078 1.00 0.00 H new ATOM 0 HB2 MET A 65 -5.015 -5.381 2.313 1.00 0.00 H new ATOM 0 HB3 MET A 65 -6.024 -4.890 3.659 1.00 0.00 H new ATOM 0 HG2 MET A 65 -7.101 -5.527 0.892 1.00 0.00 H new ATOM 0 HG3 MET A 65 -6.974 -6.710 2.179 1.00 0.00 H new ATOM 0 HE1 MET A 65 -10.639 -6.618 2.668 1.00 0.00 H new ATOM 0 HE2 MET A 65 -9.569 -6.976 1.292 1.00 0.00 H new ATOM 0 HE3 MET A 65 -9.106 -7.482 2.934 1.00 0.00 H new ATOM 1067 N GLU A 66 -6.559 -2.410 4.225 1.00 0.00 N ATOM 1068 CA GLU A 66 -7.255 -1.460 5.119 1.00 0.00 C ATOM 1069 C GLU A 66 -6.625 -0.062 5.175 1.00 0.00 C ATOM 1070 O GLU A 66 -7.354 0.923 5.239 1.00 0.00 O ATOM 1071 CB GLU A 66 -7.413 -1.982 6.545 1.00 0.00 C ATOM 1072 CG GLU A 66 -8.487 -3.070 6.632 1.00 0.00 C ATOM 1073 CD GLU A 66 -8.950 -3.336 8.072 1.00 0.00 C ATOM 1074 OE1 GLU A 66 -8.154 -3.103 9.011 1.00 0.00 O ATOM 1075 OE2 GLU A 66 -10.105 -3.789 8.208 1.00 0.00 O ATOM 0 H GLU A 66 -5.891 -3.012 4.707 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.238 -1.367 4.657 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.461 -2.381 6.894 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.675 -1.157 7.208 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.345 -2.776 6.028 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.097 -3.994 6.204 1.00 0.00 H new ATOM 1082 N ALA A 67 -5.318 0.015 4.931 1.00 0.00 N ATOM 1083 CA ALA A 67 -4.558 1.281 4.912 1.00 0.00 C ATOM 1084 C ALA A 67 -5.060 2.268 3.837 1.00 0.00 C ATOM 1085 O ALA A 67 -4.943 3.481 4.006 1.00 0.00 O ATOM 1086 CB ALA A 67 -3.069 0.972 4.761 1.00 0.00 C ATOM 0 H ALA A 67 -4.743 -0.805 4.738 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.721 1.791 5.862 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.504 1.904 4.746 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.738 0.360 5.600 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.902 0.432 3.829 1.00 0.00 H new ATOM 1092 N GLN A 68 -5.757 1.711 2.844 1.00 0.00 N ATOM 1093 CA GLN A 68 -6.486 2.446 1.796 1.00 0.00 C ATOM 1094 C GLN A 68 -8.017 2.296 1.907 1.00 0.00 C ATOM 1095 O GLN A 68 -8.725 3.247 1.574 1.00 0.00 O ATOM 1096 CB GLN A 68 -6.010 1.950 0.430 1.00 0.00 C ATOM 1097 CG GLN A 68 -6.745 2.623 -0.733 1.00 0.00 C ATOM 1098 CD GLN A 68 -5.942 3.706 -1.448 1.00 0.00 C ATOM 1099 OE1 GLN A 68 -4.751 3.600 -1.694 1.00 0.00 O ATOM 1100 NE2 GLN A 68 -6.627 4.687 -1.980 1.00 0.00 N ATOM 0 H GLN A 68 -5.835 0.699 2.740 1.00 0.00 H new ATOM 0 HA GLN A 68 -6.271 3.507 1.923 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -4.940 2.135 0.334 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -6.154 0.871 0.370 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -7.027 1.860 -1.458 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -7.669 3.062 -0.357 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -7.622 4.782 -1.779 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -6.165 5.356 -2.596 1.00 0.00 H new ATOM 1109 N GLU A 69 -8.513 1.109 2.284 1.00 0.00 N ATOM 1110 CA GLU A 69 -9.962 0.833 2.464 1.00 0.00 C ATOM 1111 C GLU A 69 -10.715 1.950 3.210 1.00 0.00 C ATOM 1112 O GLU A 69 -11.900 2.170 2.957 1.00 0.00 O ATOM 1113 CB GLU A 69 -10.175 -0.495 3.202 1.00 0.00 C ATOM 1114 CG GLU A 69 -11.627 -0.989 3.133 1.00 0.00 C ATOM 1115 CD GLU A 69 -12.245 -1.205 4.520 1.00 0.00 C ATOM 1116 OE1 GLU A 69 -11.574 -1.845 5.361 1.00 0.00 O ATOM 1117 OE2 GLU A 69 -13.406 -0.771 4.687 1.00 0.00 O ATOM 0 H GLU A 69 -7.922 0.300 2.476 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.376 0.779 1.457 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.518 -1.252 2.774 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.886 -0.375 4.246 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -12.227 -0.265 2.581 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -11.662 -1.924 2.574 1.00 0.00 H new ATOM 1124 N TRP A 70 -9.989 2.664 4.071 1.00 0.00 N ATOM 1125 CA TRP A 70 -10.419 3.928 4.699 1.00 0.00 C ATOM 1126 C TRP A 70 -10.606 5.068 3.671 1.00 0.00 C ATOM 1127 O TRP A 70 -10.307 6.226 3.940 1.00 0.00 O ATOM 1128 CB TRP A 70 -9.378 4.312 5.763 1.00 0.00 C ATOM 1129 CG TRP A 70 -9.169 3.246 6.851 1.00 0.00 C ATOM 1130 CD1 TRP A 70 -7.978 2.795 7.249 1.00 0.00 C ATOM 1131 CD2 TRP A 70 -10.133 2.498 7.499 1.00 0.00 C ATOM 1132 NE1 TRP A 70 -8.154 1.796 8.112 1.00 0.00 N ATOM 1133 CE2 TRP A 70 -9.445 1.577 8.293 1.00 0.00 C ATOM 1134 CE3 TRP A 70 -11.519 2.547 7.537 1.00 0.00 C ATOM 1135 CZ2 TRP A 70 -10.156 0.711 9.113 1.00 0.00 C ATOM 1136 CZ3 TRP A 70 -12.226 1.659 8.332 1.00 0.00 C ATOM 1137 CH2 TRP A 70 -11.542 0.740 9.126 1.00 0.00 C ATOM 0 H TRP A 70 -9.056 2.375 4.364 1.00 0.00 H new ATOM 0 HA TRP A 70 -11.396 3.778 5.158 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -8.425 4.504 5.270 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -9.686 5.244 6.237 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -7.023 3.179 6.923 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -7.403 1.276 8.566 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -12.048 3.279 6.945 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -9.627 0.012 9.743 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -13.306 1.679 8.336 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -12.091 0.051 9.751 1.00 0.00 H new ATOM 1148 N CYS A 71 -11.269 4.761 2.558 1.00 0.00 N ATOM 1149 CA CYS A 71 -11.545 5.708 1.463 1.00 0.00 C ATOM 1150 C CYS A 71 -12.733 6.618 1.806 1.00 0.00 C ATOM 1151 O CYS A 71 -12.542 7.822 1.912 1.00 0.00 O ATOM 1152 CB CYS A 71 -11.778 4.956 0.153 1.00 0.00 C ATOM 1153 SG CYS A 71 -11.157 5.911 -1.278 1.00 0.00 S ATOM 0 H CYS A 71 -11.641 3.828 2.382 1.00 0.00 H new ATOM 0 HA CYS A 71 -10.672 6.348 1.334 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -11.278 3.988 0.192 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -12.843 4.760 0.028 1.00 0.00 H new ATOM 0 HG CYS A 71 -11.370 5.241 -2.372 1.00 0.00 H new ATOM 1159 N ARG A 72 -13.834 6.019 2.269 1.00 0.00 N ATOM 1160 CA ARG A 72 -14.969 6.765 2.863 1.00 0.00 C ATOM 1161 C ARG A 72 -14.578 7.646 4.061 1.00 0.00 C ATOM 1162 O ARG A 72 -15.165 8.699 4.285 1.00 0.00 O ATOM 1163 CB ARG A 72 -16.096 5.823 3.280 1.00 0.00 C ATOM 1164 CG ARG A 72 -17.225 5.876 2.248 1.00 0.00 C ATOM 1165 CD ARG A 72 -18.446 5.075 2.700 1.00 0.00 C ATOM 1166 NE ARG A 72 -18.168 3.628 2.680 1.00 0.00 N ATOM 1167 CZ ARG A 72 -19.041 2.657 2.963 1.00 0.00 C ATOM 1168 NH1 ARG A 72 -20.285 2.926 3.336 1.00 0.00 N ATOM 1169 NH2 ARG A 72 -18.674 1.389 2.882 1.00 0.00 N ATOM 0 H ARG A 72 -13.972 5.009 2.247 1.00 0.00 H new ATOM 0 HA ARG A 72 -15.312 7.430 2.071 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -15.718 4.804 3.366 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -16.475 6.107 4.262 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -17.513 6.913 2.078 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -16.866 5.485 1.296 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -18.732 5.380 3.707 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -19.291 5.295 2.048 1.00 0.00 H new ATOM 0 HE ARG A 72 -17.222 3.341 2.427 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -20.596 3.894 3.413 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -20.930 2.165 3.546 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -17.722 1.150 2.603 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -19.343 0.650 3.099 1.00 0.00 H new ATOM 1183 N LYS A 73 -13.456 7.290 4.684 1.00 0.00 N ATOM 1184 CA LYS A 73 -12.856 8.086 5.764 1.00 0.00 C ATOM 1185 C LYS A 73 -11.883 9.139 5.214 1.00 0.00 C ATOM 1186 O LYS A 73 -12.152 10.314 5.368 1.00 0.00 O ATOM 1187 CB LYS A 73 -12.196 7.209 6.827 1.00 0.00 C ATOM 1188 CG LYS A 73 -13.149 6.894 7.985 1.00 0.00 C ATOM 1189 CD LYS A 73 -13.868 5.558 7.798 1.00 0.00 C ATOM 1190 CE LYS A 73 -14.630 5.154 9.064 1.00 0.00 C ATOM 1191 NZ LYS A 73 -16.030 5.604 9.049 1.00 0.00 N ATOM 0 H LYS A 73 -12.934 6.443 4.458 1.00 0.00 H new ATOM 0 HA LYS A 73 -13.670 8.618 6.256 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -11.860 6.278 6.371 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -11.310 7.713 7.214 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -12.588 6.874 8.919 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -13.887 7.692 8.073 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -14.562 5.630 6.961 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -13.143 4.785 7.545 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -14.602 4.070 9.170 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -14.127 5.573 9.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -16.500 5.305 9.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -16.061 6.641 8.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -16.521 5.184 8.234 1.00 0.00 H new ATOM 1205 N TYR A 74 -10.951 8.771 4.344 1.00 0.00 N ATOM 1206 CA TYR A 74 -10.073 9.745 3.656 1.00 0.00 C ATOM 1207 C TYR A 74 -10.777 10.792 2.779 1.00 0.00 C ATOM 1208 O TYR A 74 -10.216 11.849 2.507 1.00 0.00 O ATOM 1209 CB TYR A 74 -9.016 9.004 2.838 1.00 0.00 C ATOM 1210 CG TYR A 74 -7.992 8.338 3.746 1.00 0.00 C ATOM 1211 CD1 TYR A 74 -7.404 9.049 4.796 1.00 0.00 C ATOM 1212 CD2 TYR A 74 -7.549 7.051 3.450 1.00 0.00 C ATOM 1213 CE1 TYR A 74 -6.404 8.475 5.534 1.00 0.00 C ATOM 1214 CE2 TYR A 74 -6.545 6.472 4.189 1.00 0.00 C ATOM 1215 CZ TYR A 74 -5.985 7.177 5.248 1.00 0.00 C ATOM 1216 OH TYR A 74 -5.066 6.587 6.024 1.00 0.00 O ATOM 0 H TYR A 74 -10.773 7.800 4.088 1.00 0.00 H new ATOM 0 HA TYR A 74 -9.622 10.324 4.462 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -9.496 8.252 2.212 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -8.514 9.702 2.168 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -7.738 10.050 5.025 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -7.998 6.504 2.634 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -5.940 9.028 6.337 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -6.195 5.479 3.949 1.00 0.00 H new ATOM 0 HH TYR A 74 -5.512 6.006 6.675 1.00 0.00 H new ATOM 1226 N MET A 75 -11.986 10.451 2.349 1.00 0.00 N ATOM 1227 CA MET A 75 -12.874 11.302 1.537 1.00 0.00 C ATOM 1228 C MET A 75 -13.855 12.138 2.367 1.00 0.00 C ATOM 1229 O MET A 75 -13.842 13.360 2.265 1.00 0.00 O ATOM 1230 CB MET A 75 -13.635 10.423 0.540 1.00 0.00 C ATOM 1231 CG MET A 75 -12.830 10.217 -0.743 1.00 0.00 C ATOM 1232 SD MET A 75 -12.907 11.686 -1.832 1.00 0.00 S ATOM 1233 CE MET A 75 -13.935 11.023 -3.125 1.00 0.00 C ATOM 0 H MET A 75 -12.398 9.542 2.559 1.00 0.00 H new ATOM 0 HA MET A 75 -12.241 12.020 1.014 1.00 0.00 H new ATOM 0 HB2 MET A 75 -13.852 9.457 0.995 1.00 0.00 H new ATOM 0 HB3 MET A 75 -14.593 10.885 0.301 1.00 0.00 H new ATOM 0 HG2 MET A 75 -11.791 10.005 -0.491 1.00 0.00 H new ATOM 0 HG3 MET A 75 -13.212 9.347 -1.277 1.00 0.00 H new ATOM 0 HE1 MET A 75 -14.094 11.784 -3.889 1.00 0.00 H new ATOM 0 HE2 MET A 75 -13.446 10.157 -3.571 1.00 0.00 H new ATOM 0 HE3 MET A 75 -14.896 10.722 -2.707 1.00 0.00 H new ATOM 1243 N LYS A 76 -14.654 11.476 3.208 1.00 0.00 N ATOM 1244 CA LYS A 76 -15.660 12.175 4.034 1.00 0.00 C ATOM 1245 C LYS A 76 -15.046 12.774 5.306 1.00 0.00 C ATOM 1246 O LYS A 76 -15.225 13.955 5.591 1.00 0.00 O ATOM 1247 CB LYS A 76 -16.816 11.253 4.426 1.00 0.00 C ATOM 1248 CG LYS A 76 -18.154 11.880 4.031 1.00 0.00 C ATOM 1249 CD LYS A 76 -18.695 11.213 2.766 1.00 0.00 C ATOM 1250 CE LYS A 76 -19.917 10.364 3.119 1.00 0.00 C ATOM 1251 NZ LYS A 76 -20.019 9.194 2.239 1.00 0.00 N ATOM 0 H LYS A 76 -14.630 10.465 3.339 1.00 0.00 H new ATOM 0 HA LYS A 76 -16.044 12.984 3.413 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -16.701 10.286 3.936 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -16.796 11.070 5.500 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -18.871 11.769 4.845 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -18.027 12.949 3.862 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -18.965 11.970 2.030 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -17.924 10.589 2.313 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -19.850 10.038 4.157 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -20.820 10.968 3.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -20.856 8.635 2.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -20.107 9.509 1.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -19.166 8.608 2.341 1.00 0.00 H new ATOM 1265 N SER A 77 -14.257 11.961 5.997 1.00 0.00 N ATOM 1266 CA SER A 77 -13.537 12.394 7.214 1.00 0.00 C ATOM 1267 C SER A 77 -12.351 13.294 6.824 1.00 0.00 C ATOM 1268 O SER A 77 -12.052 14.237 7.556 1.00 0.00 O ATOM 1269 CB SER A 77 -13.087 11.166 8.019 1.00 0.00 C ATOM 1270 OG SER A 77 -12.920 11.447 9.408 1.00 0.00 O ATOM 0 H SER A 77 -14.091 10.987 5.742 1.00 0.00 H new ATOM 0 HA SER A 77 -14.201 12.979 7.850 1.00 0.00 H new ATOM 0 HB2 SER A 77 -13.822 10.370 7.900 1.00 0.00 H new ATOM 0 HB3 SER A 77 -12.146 10.795 7.612 1.00 0.00 H new ATOM 0 HG SER A 77 -12.635 10.634 9.874 1.00 0.00 H new ATOM 1276 N GLY A 78 -11.675 12.964 5.700 1.00 0.00 N ATOM 1277 CA GLY A 78 -10.565 13.741 5.106 1.00 0.00 C ATOM 1278 C GLY A 78 -9.530 14.190 6.147 1.00 0.00 C ATOM 1279 O GLY A 78 -8.965 15.275 6.075 1.00 0.00 O ATOM 0 H GLY A 78 -11.894 12.123 5.165 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -10.070 13.136 4.346 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -10.971 14.618 4.602 1.00 0.00 H new ATOM 1283 N ASN A 79 -9.345 13.323 7.135 1.00 0.00 N ATOM 1284 CA ASN A 79 -8.581 13.658 8.334 1.00 0.00 C ATOM 1285 C ASN A 79 -7.428 12.674 8.459 1.00 0.00 C ATOM 1286 O ASN A 79 -7.593 11.452 8.353 1.00 0.00 O ATOM 1287 CB ASN A 79 -9.504 13.591 9.556 1.00 0.00 C ATOM 1288 CG ASN A 79 -9.481 14.905 10.339 1.00 0.00 C ATOM 1289 OD1 ASN A 79 -8.439 15.369 10.795 1.00 0.00 O ATOM 1290 ND2 ASN A 79 -10.641 15.487 10.539 1.00 0.00 N ATOM 0 H ASN A 79 -9.717 12.373 7.130 1.00 0.00 H new ATOM 0 HA ASN A 79 -8.178 14.669 8.270 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -10.523 13.374 9.234 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -9.194 12.772 10.205 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -10.693 16.347 11.085 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -11.490 15.079 10.148 1.00 0.00 H new ATOM 1297 N VAL A 80 -6.285 13.259 8.792 1.00 0.00 N ATOM 1298 CA VAL A 80 -5.062 12.506 9.135 1.00 0.00 C ATOM 1299 C VAL A 80 -5.326 11.516 10.285 1.00 0.00 C ATOM 1300 O VAL A 80 -4.599 10.547 10.411 1.00 0.00 O ATOM 1301 CB VAL A 80 -3.877 13.460 9.394 1.00 0.00 C ATOM 1302 CG1 VAL A 80 -2.635 12.782 9.993 1.00 0.00 C ATOM 1303 CG2 VAL A 80 -3.446 14.099 8.070 1.00 0.00 C ATOM 0 H VAL A 80 -6.168 14.271 8.835 1.00 0.00 H new ATOM 0 HA VAL A 80 -4.771 11.897 8.279 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.241 14.187 10.120 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.851 13.525 10.142 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.894 12.330 10.950 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -2.278 12.010 9.312 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -2.609 14.774 8.247 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -3.142 13.319 7.372 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.280 14.659 7.648 1.00 0.00 H new ATOM 1313 N LYS A 81 -6.446 11.644 10.987 1.00 0.00 N ATOM 1314 CA LYS A 81 -6.910 10.662 11.991 1.00 0.00 C ATOM 1315 C LYS A 81 -7.003 9.210 11.472 1.00 0.00 C ATOM 1316 O LYS A 81 -6.757 8.268 12.219 1.00 0.00 O ATOM 1317 CB LYS A 81 -8.231 11.148 12.606 1.00 0.00 C ATOM 1318 CG LYS A 81 -8.188 12.611 13.089 1.00 0.00 C ATOM 1319 CD LYS A 81 -6.949 12.951 13.931 1.00 0.00 C ATOM 1320 CE LYS A 81 -6.981 14.378 14.484 1.00 0.00 C ATOM 1321 NZ LYS A 81 -6.109 15.326 13.770 1.00 0.00 N ATOM 0 H LYS A 81 -7.075 12.440 10.882 1.00 0.00 H new ATOM 0 HA LYS A 81 -6.145 10.611 12.766 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -9.026 11.041 11.868 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -8.489 10.504 13.447 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -8.218 13.271 12.222 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -9.083 12.816 13.677 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -6.874 12.247 14.760 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -6.055 12.822 13.321 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -8.006 14.747 14.446 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -6.689 14.355 15.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -6.189 16.267 14.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -5.123 15.001 13.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -6.399 15.381 12.773 1.00 0.00 H new ATOM 1335 N ASP A 82 -7.131 9.067 10.151 1.00 0.00 N ATOM 1336 CA ASP A 82 -7.046 7.760 9.462 1.00 0.00 C ATOM 1337 C ASP A 82 -5.615 7.466 8.958 1.00 0.00 C ATOM 1338 O ASP A 82 -5.085 6.375 9.170 1.00 0.00 O ATOM 1339 CB ASP A 82 -8.035 7.703 8.291 1.00 0.00 C ATOM 1340 CG ASP A 82 -9.458 8.121 8.667 1.00 0.00 C ATOM 1341 OD1 ASP A 82 -10.060 7.439 9.522 1.00 0.00 O ATOM 1342 OD2 ASP A 82 -9.899 9.157 8.117 1.00 0.00 O ATOM 0 H ASP A 82 -7.297 9.851 9.520 1.00 0.00 H new ATOM 0 HA ASP A 82 -7.308 6.993 10.191 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -7.675 8.350 7.491 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -8.057 6.688 7.894 1.00 0.00 H new ATOM 1347 N LEU A 83 -4.919 8.531 8.557 1.00 0.00 N ATOM 1348 CA LEU A 83 -3.539 8.475 8.034 1.00 0.00 C ATOM 1349 C LEU A 83 -2.512 8.193 9.138 1.00 0.00 C ATOM 1350 O LEU A 83 -1.694 7.304 8.968 1.00 0.00 O ATOM 1351 CB LEU A 83 -3.165 9.776 7.307 1.00 0.00 C ATOM 1352 CG LEU A 83 -2.334 9.596 6.024 1.00 0.00 C ATOM 1353 CD1 LEU A 83 -1.043 8.796 6.218 1.00 0.00 C ATOM 1354 CD2 LEU A 83 -3.191 8.989 4.915 1.00 0.00 C ATOM 0 H LEU A 83 -5.299 9.477 8.584 1.00 0.00 H new ATOM 0 HA LEU A 83 -3.514 7.648 7.325 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -4.082 10.309 7.055 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -2.607 10.410 7.996 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.013 10.596 5.732 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.518 8.716 5.266 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.406 9.304 6.942 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.285 7.798 6.584 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -2.589 8.868 4.015 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -3.565 8.016 5.235 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -4.032 9.649 4.703 1.00 0.00 H new ATOM 1366 N THR A 84 -2.638 8.836 10.294 1.00 0.00 N ATOM 1367 CA THR A 84 -1.840 8.583 11.519 1.00 0.00 C ATOM 1368 C THR A 84 -1.744 7.080 11.860 1.00 0.00 C ATOM 1369 O THR A 84 -0.660 6.554 12.092 1.00 0.00 O ATOM 1370 CB THR A 84 -2.381 9.390 12.722 1.00 0.00 C ATOM 1371 OG1 THR A 84 -1.571 9.146 13.871 1.00 0.00 O ATOM 1372 CG2 THR A 84 -3.841 9.110 13.092 1.00 0.00 C ATOM 0 H THR A 84 -3.323 9.581 10.423 1.00 0.00 H new ATOM 0 HA THR A 84 -0.828 8.927 11.307 1.00 0.00 H new ATOM 0 HB THR A 84 -2.339 10.431 12.402 1.00 0.00 H new ATOM 0 HG1 THR A 84 -1.917 9.660 14.630 1.00 0.00 H new ATOM 0 HG21 THR A 84 -4.124 9.725 13.947 1.00 0.00 H new ATOM 0 HG22 THR A 84 -4.483 9.349 12.244 1.00 0.00 H new ATOM 0 HG23 THR A 84 -3.956 8.057 13.349 1.00 0.00 H new ATOM 1380 N GLN A 85 -2.846 6.380 11.595 1.00 0.00 N ATOM 1381 CA GLN A 85 -2.943 4.922 11.784 1.00 0.00 C ATOM 1382 C GLN A 85 -2.430 4.137 10.577 1.00 0.00 C ATOM 1383 O GLN A 85 -1.576 3.261 10.726 1.00 0.00 O ATOM 1384 CB GLN A 85 -4.387 4.529 12.061 1.00 0.00 C ATOM 1385 CG GLN A 85 -4.511 4.048 13.504 1.00 0.00 C ATOM 1386 CD GLN A 85 -5.265 2.720 13.605 1.00 0.00 C ATOM 1387 OE1 GLN A 85 -5.918 2.227 12.692 1.00 0.00 O ATOM 1388 NE2 GLN A 85 -5.125 2.071 14.736 1.00 0.00 N ATOM 0 H GLN A 85 -3.704 6.804 11.241 1.00 0.00 H new ATOM 0 HA GLN A 85 -2.310 4.670 12.635 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -5.046 5.380 11.891 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -4.700 3.742 11.375 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -3.516 3.933 13.934 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -5.028 4.804 14.095 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -4.582 2.481 15.496 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -5.559 1.156 14.856 1.00 0.00 H new ATOM 1397 N ALA A 86 -2.825 4.576 9.382 1.00 0.00 N ATOM 1398 CA ALA A 86 -2.308 4.004 8.129 1.00 0.00 C ATOM 1399 C ALA A 86 -0.789 4.167 8.024 1.00 0.00 C ATOM 1400 O ALA A 86 -0.146 3.267 7.521 1.00 0.00 O ATOM 1401 CB ALA A 86 -2.977 4.620 6.907 1.00 0.00 C ATOM 0 H ALA A 86 -3.502 5.327 9.250 1.00 0.00 H new ATOM 0 HA ALA A 86 -2.546 2.941 8.152 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.567 4.170 6.003 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -4.051 4.437 6.949 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -2.793 5.694 6.894 1.00 0.00 H new ATOM 1407 N TRP A 87 -0.222 5.164 8.697 1.00 0.00 N ATOM 1408 CA TRP A 87 1.226 5.393 8.800 1.00 0.00 C ATOM 1409 C TRP A 87 1.898 4.251 9.568 1.00 0.00 C ATOM 1410 O TRP A 87 2.760 3.596 8.995 1.00 0.00 O ATOM 1411 CB TRP A 87 1.499 6.737 9.479 1.00 0.00 C ATOM 1412 CG TRP A 87 2.741 7.409 8.879 1.00 0.00 C ATOM 1413 CD1 TRP A 87 3.775 7.904 9.561 1.00 0.00 C ATOM 1414 CD2 TRP A 87 2.963 7.653 7.541 1.00 0.00 C ATOM 1415 NE1 TRP A 87 4.631 8.461 8.704 1.00 0.00 N ATOM 1416 CE2 TRP A 87 4.183 8.329 7.466 1.00 0.00 C ATOM 1417 CE3 TRP A 87 2.254 7.350 6.385 1.00 0.00 C ATOM 1418 CZ2 TRP A 87 4.677 8.701 6.224 1.00 0.00 C ATOM 1419 CZ3 TRP A 87 2.770 7.681 5.146 1.00 0.00 C ATOM 1420 CH2 TRP A 87 3.980 8.368 5.074 1.00 0.00 C ATOM 0 H TRP A 87 -0.770 5.860 9.203 1.00 0.00 H new ATOM 0 HA TRP A 87 1.649 5.420 7.796 1.00 0.00 H new ATOM 0 HB2 TRP A 87 0.634 7.391 9.362 1.00 0.00 H new ATOM 0 HB3 TRP A 87 1.643 6.586 10.549 1.00 0.00 H new ATOM 0 HD1 TRP A 87 3.899 7.861 10.633 1.00 0.00 H new ATOM 0 HE1 TRP A 87 5.503 8.921 8.964 1.00 0.00 H new ATOM 0 HE3 TRP A 87 1.297 6.854 6.455 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 5.604 9.250 6.154 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 2.241 7.410 4.244 1.00 0.00 H new ATOM 0 HH2 TRP A 87 4.380 8.644 4.109 1.00 0.00 H new ATOM 1431 N ASP A 88 1.246 3.806 10.645 1.00 0.00 N ATOM 1432 CA ASP A 88 1.686 2.618 11.400 1.00 0.00 C ATOM 1433 C ASP A 88 1.512 1.365 10.531 1.00 0.00 C ATOM 1434 O ASP A 88 2.489 0.663 10.361 1.00 0.00 O ATOM 1435 CB ASP A 88 0.933 2.438 12.725 1.00 0.00 C ATOM 1436 CG ASP A 88 1.541 1.316 13.582 1.00 0.00 C ATOM 1437 OD1 ASP A 88 1.363 0.138 13.196 1.00 0.00 O ATOM 1438 OD2 ASP A 88 2.154 1.657 14.614 1.00 0.00 O ATOM 0 H ASP A 88 0.407 4.249 11.019 1.00 0.00 H new ATOM 0 HA ASP A 88 2.736 2.767 11.650 1.00 0.00 H new ATOM 0 HB2 ASP A 88 0.953 3.373 13.284 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -0.113 2.212 12.520 1.00 0.00 H new ATOM 1443 N LEU A 89 0.382 1.217 9.838 1.00 0.00 N ATOM 1444 CA LEU A 89 0.124 0.045 8.972 1.00 0.00 C ATOM 1445 C LEU A 89 1.054 -0.024 7.748 1.00 0.00 C ATOM 1446 O LEU A 89 1.686 -1.050 7.499 1.00 0.00 O ATOM 1447 CB LEU A 89 -1.350 0.021 8.543 1.00 0.00 C ATOM 1448 CG LEU A 89 -2.298 -0.288 9.709 1.00 0.00 C ATOM 1449 CD1 LEU A 89 -3.733 0.064 9.312 1.00 0.00 C ATOM 1450 CD2 LEU A 89 -2.225 -1.768 10.103 1.00 0.00 C ATOM 0 H LEU A 89 -0.380 1.895 9.854 1.00 0.00 H new ATOM 0 HA LEU A 89 0.344 -0.842 9.566 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -1.615 0.986 8.110 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -1.485 -0.727 7.762 1.00 0.00 H new ATOM 0 HG LEU A 89 -1.992 0.312 10.566 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.405 -0.156 10.142 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.793 1.125 9.068 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.025 -0.525 8.443 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -2.907 -1.958 10.932 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.508 -2.386 9.251 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -1.208 -2.014 10.407 1.00 0.00 H new ATOM 1462 N TYR A 90 1.268 1.131 7.130 1.00 0.00 N ATOM 1463 CA TYR A 90 2.173 1.358 5.991 1.00 0.00 C ATOM 1464 C TYR A 90 3.631 1.121 6.374 1.00 0.00 C ATOM 1465 O TYR A 90 4.290 0.326 5.720 1.00 0.00 O ATOM 1466 CB TYR A 90 2.026 2.782 5.433 1.00 0.00 C ATOM 1467 CG TYR A 90 0.747 2.992 4.623 1.00 0.00 C ATOM 1468 CD1 TYR A 90 0.345 2.049 3.678 1.00 0.00 C ATOM 1469 CD2 TYR A 90 0.035 4.186 4.738 1.00 0.00 C ATOM 1470 CE1 TYR A 90 -0.724 2.301 2.849 1.00 0.00 C ATOM 1471 CE2 TYR A 90 -1.057 4.430 3.930 1.00 0.00 C ATOM 1472 CZ TYR A 90 -1.449 3.481 2.992 1.00 0.00 C ATOM 1473 OH TYR A 90 -2.645 3.579 2.379 1.00 0.00 O ATOM 0 H TYR A 90 0.793 1.986 7.420 1.00 0.00 H new ATOM 0 HA TYR A 90 1.888 0.640 5.222 1.00 0.00 H new ATOM 0 HB2 TYR A 90 2.043 3.491 6.261 1.00 0.00 H new ATOM 0 HB3 TYR A 90 2.886 3.007 4.803 1.00 0.00 H new ATOM 0 HD1 TYR A 90 0.877 1.113 3.596 1.00 0.00 H new ATOM 0 HD2 TYR A 90 0.340 4.925 5.464 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -1.000 1.585 2.089 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -1.606 5.355 4.026 1.00 0.00 H new ATOM 0 HH TYR A 90 -3.312 3.914 3.014 1.00 0.00 H new ATOM 1483 N TYR A 91 4.040 1.680 7.507 1.00 0.00 N ATOM 1484 CA TYR A 91 5.391 1.527 8.077 1.00 0.00 C ATOM 1485 C TYR A 91 5.657 0.120 8.644 1.00 0.00 C ATOM 1486 O TYR A 91 6.670 -0.504 8.329 1.00 0.00 O ATOM 1487 CB TYR A 91 5.551 2.591 9.163 1.00 0.00 C ATOM 1488 CG TYR A 91 6.997 2.764 9.583 1.00 0.00 C ATOM 1489 CD1 TYR A 91 7.845 3.541 8.800 1.00 0.00 C ATOM 1490 CD2 TYR A 91 7.447 2.224 10.784 1.00 0.00 C ATOM 1491 CE1 TYR A 91 9.136 3.775 9.210 1.00 0.00 C ATOM 1492 CE2 TYR A 91 8.738 2.459 11.200 1.00 0.00 C ATOM 1493 CZ TYR A 91 9.595 3.225 10.407 1.00 0.00 C ATOM 1494 OH TYR A 91 10.883 3.399 10.768 1.00 0.00 O ATOM 0 H TYR A 91 3.432 2.269 8.076 1.00 0.00 H new ATOM 0 HA TYR A 91 6.125 1.658 7.282 1.00 0.00 H new ATOM 0 HB2 TYR A 91 5.164 3.542 8.798 1.00 0.00 H new ATOM 0 HB3 TYR A 91 4.952 2.315 10.031 1.00 0.00 H new ATOM 0 HD1 TYR A 91 7.489 3.960 7.870 1.00 0.00 H new ATOM 0 HD2 TYR A 91 6.785 1.622 11.388 1.00 0.00 H new ATOM 0 HE1 TYR A 91 9.794 4.383 8.607 1.00 0.00 H new ATOM 0 HE2 TYR A 91 9.087 2.052 12.137 1.00 0.00 H new ATOM 0 HH TYR A 91 11.045 2.956 11.627 1.00 0.00 H new ATOM 1504 N HIS A 92 4.679 -0.410 9.372 1.00 0.00 N ATOM 1505 CA HIS A 92 4.705 -1.779 9.927 1.00 0.00 C ATOM 1506 C HIS A 92 4.860 -2.800 8.794 1.00 0.00 C ATOM 1507 O HIS A 92 5.778 -3.617 8.832 1.00 0.00 O ATOM 1508 CB HIS A 92 3.413 -2.066 10.701 1.00 0.00 C ATOM 1509 CG HIS A 92 3.443 -3.402 11.454 1.00 0.00 C ATOM 1510 ND1 HIS A 92 4.521 -3.971 11.970 1.00 0.00 N ATOM 1511 CD2 HIS A 92 2.393 -4.171 11.702 1.00 0.00 C ATOM 1512 CE1 HIS A 92 4.142 -5.119 12.535 1.00 0.00 C ATOM 1513 NE2 HIS A 92 2.829 -5.230 12.381 1.00 0.00 N ATOM 0 H HIS A 92 3.827 0.101 9.603 1.00 0.00 H new ATOM 0 HA HIS A 92 5.552 -1.861 10.608 1.00 0.00 H new ATOM 0 HB2 HIS A 92 3.237 -1.259 11.413 1.00 0.00 H new ATOM 0 HB3 HIS A 92 2.573 -2.067 10.006 1.00 0.00 H new ATOM 0 HD2 HIS A 92 1.372 -3.975 11.408 1.00 0.00 H new ATOM 0 HE1 HIS A 92 4.788 -5.830 13.029 1.00 0.00 H new ATOM 0 HE2 HIS A 92 2.251 -5.997 12.725 1.00 0.00 H new ATOM 1521 N VAL A 93 4.117 -2.567 7.712 1.00 0.00 N ATOM 1522 CA VAL A 93 4.177 -3.427 6.522 1.00 0.00 C ATOM 1523 C VAL A 93 5.409 -3.136 5.653 1.00 0.00 C ATOM 1524 O VAL A 93 5.970 -4.066 5.088 1.00 0.00 O ATOM 1525 CB VAL A 93 2.850 -3.412 5.748 1.00 0.00 C ATOM 1526 CG1 VAL A 93 2.691 -2.301 4.704 1.00 0.00 C ATOM 1527 CG2 VAL A 93 2.632 -4.795 5.147 1.00 0.00 C ATOM 0 H VAL A 93 3.463 -1.788 7.632 1.00 0.00 H new ATOM 0 HA VAL A 93 4.311 -4.454 6.862 1.00 0.00 H new ATOM 0 HB VAL A 93 2.071 -3.169 6.470 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.717 -2.391 4.222 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.766 -1.329 5.192 1.00 0.00 H new ATOM 0 HG13 VAL A 93 3.476 -2.392 3.954 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.694 -4.807 4.592 1.00 0.00 H new ATOM 0 HG22 VAL A 93 3.455 -5.033 4.473 1.00 0.00 H new ATOM 0 HG23 VAL A 93 2.591 -5.536 5.945 1.00 0.00 H new ATOM 1537 N PHE A 94 5.848 -1.883 5.634 1.00 0.00 N ATOM 1538 CA PHE A 94 7.054 -1.414 4.925 1.00 0.00 C ATOM 1539 C PHE A 94 8.296 -2.252 5.267 1.00 0.00 C ATOM 1540 O PHE A 94 9.146 -2.458 4.409 1.00 0.00 O ATOM 1541 CB PHE A 94 7.256 0.063 5.286 1.00 0.00 C ATOM 1542 CG PHE A 94 8.480 0.700 4.653 1.00 0.00 C ATOM 1543 CD1 PHE A 94 8.491 0.994 3.290 1.00 0.00 C ATOM 1544 CD2 PHE A 94 9.614 0.935 5.429 1.00 0.00 C ATOM 1545 CE1 PHE A 94 9.619 1.514 2.707 1.00 0.00 C ATOM 1546 CE2 PHE A 94 10.745 1.462 4.842 1.00 0.00 C ATOM 1547 CZ PHE A 94 10.761 1.757 3.482 1.00 0.00 C ATOM 0 H PHE A 94 5.364 -1.132 6.126 1.00 0.00 H new ATOM 0 HA PHE A 94 6.914 -1.528 3.850 1.00 0.00 H new ATOM 0 HB2 PHE A 94 6.372 0.623 4.982 1.00 0.00 H new ATOM 0 HB3 PHE A 94 7.334 0.153 6.370 1.00 0.00 H new ATOM 0 HD1 PHE A 94 7.610 0.812 2.692 1.00 0.00 H new ATOM 0 HD2 PHE A 94 9.607 0.706 6.484 1.00 0.00 H new ATOM 0 HE1 PHE A 94 9.627 1.736 1.650 1.00 0.00 H new ATOM 0 HE2 PHE A 94 11.624 1.647 5.442 1.00 0.00 H new ATOM 0 HZ PHE A 94 11.648 2.171 3.026 1.00 0.00 H new ATOM 1557 N ARG A 95 8.308 -2.787 6.487 1.00 0.00 N ATOM 1558 CA ARG A 95 9.328 -3.748 6.960 1.00 0.00 C ATOM 1559 C ARG A 95 8.939 -5.228 6.777 1.00 0.00 C ATOM 1560 O ARG A 95 9.797 -6.089 6.612 1.00 0.00 O ATOM 1561 CB ARG A 95 9.645 -3.477 8.431 1.00 0.00 C ATOM 1562 CG ARG A 95 10.349 -2.129 8.609 1.00 0.00 C ATOM 1563 CD ARG A 95 10.610 -1.821 10.087 1.00 0.00 C ATOM 1564 NE ARG A 95 11.703 -2.643 10.643 1.00 0.00 N ATOM 1565 CZ ARG A 95 13.016 -2.414 10.516 1.00 0.00 C ATOM 1566 NH1 ARG A 95 13.482 -1.402 9.797 1.00 0.00 N ATOM 1567 NH2 ARG A 95 13.893 -3.214 11.101 1.00 0.00 N ATOM 0 H ARG A 95 7.604 -2.568 7.192 1.00 0.00 H new ATOM 0 HA ARG A 95 10.206 -3.589 6.334 1.00 0.00 H new ATOM 0 HB2 ARG A 95 8.723 -3.488 9.012 1.00 0.00 H new ATOM 0 HB3 ARG A 95 10.277 -4.274 8.822 1.00 0.00 H new ATOM 0 HG2 ARG A 95 11.294 -2.137 8.066 1.00 0.00 H new ATOM 0 HG3 ARG A 95 9.738 -1.338 8.174 1.00 0.00 H new ATOM 0 HD2 ARG A 95 10.859 -0.766 10.198 1.00 0.00 H new ATOM 0 HD3 ARG A 95 9.699 -1.996 10.659 1.00 0.00 H new ATOM 0 HE ARG A 95 11.431 -3.468 11.177 1.00 0.00 H new ATOM 0 HH11 ARG A 95 12.834 -0.773 9.322 1.00 0.00 H new ATOM 0 HH12 ARG A 95 14.488 -1.253 9.719 1.00 0.00 H new ATOM 0 HH21 ARG A 95 13.570 -4.009 11.652 1.00 0.00 H new ATOM 0 HH22 ARG A 95 14.892 -3.035 11.001 1.00 0.00 H new ATOM 1581 N ARG A 96 7.646 -5.523 6.811 1.00 0.00 N ATOM 1582 CA ARG A 96 7.101 -6.886 6.625 1.00 0.00 C ATOM 1583 C ARG A 96 7.171 -7.336 5.158 1.00 0.00 C ATOM 1584 O ARG A 96 7.934 -8.234 4.801 1.00 0.00 O ATOM 1585 CB ARG A 96 5.650 -6.917 7.090 1.00 0.00 C ATOM 1586 CG ARG A 96 5.505 -6.720 8.591 1.00 0.00 C ATOM 1587 CD ARG A 96 4.044 -6.377 8.832 1.00 0.00 C ATOM 1588 NE ARG A 96 3.481 -7.327 9.795 1.00 0.00 N ATOM 1589 CZ ARG A 96 2.200 -7.388 10.155 1.00 0.00 C ATOM 1590 NH1 ARG A 96 1.296 -6.549 9.667 1.00 0.00 N ATOM 1591 NH2 ARG A 96 1.825 -8.266 11.066 1.00 0.00 N ATOM 0 H ARG A 96 6.925 -4.820 6.970 1.00 0.00 H new ATOM 0 HA ARG A 96 7.708 -7.572 7.216 1.00 0.00 H new ATOM 0 HB2 ARG A 96 5.091 -6.139 6.571 1.00 0.00 H new ATOM 0 HB3 ARG A 96 5.204 -7.871 6.809 1.00 0.00 H new ATOM 0 HG2 ARG A 96 5.788 -7.623 9.132 1.00 0.00 H new ATOM 0 HG3 ARG A 96 6.156 -5.920 8.944 1.00 0.00 H new ATOM 0 HD2 ARG A 96 3.954 -5.359 9.212 1.00 0.00 H new ATOM 0 HD3 ARG A 96 3.489 -6.418 7.895 1.00 0.00 H new ATOM 0 HE ARG A 96 4.121 -7.995 10.224 1.00 0.00 H new ATOM 0 HH11 ARG A 96 1.575 -5.832 8.997 1.00 0.00 H new ATOM 0 HH12 ARG A 96 0.322 -6.621 9.962 1.00 0.00 H new ATOM 0 HH21 ARG A 96 2.514 -8.890 11.487 1.00 0.00 H new ATOM 0 HH22 ARG A 96 0.847 -8.321 11.349 1.00 0.00 H new ATOM 1605 N ILE A 97 6.449 -6.605 4.305 1.00 0.00 N ATOM 1606 CA ILE A 97 6.473 -6.803 2.843 1.00 0.00 C ATOM 1607 C ILE A 97 7.851 -6.496 2.244 1.00 0.00 C ATOM 1608 O ILE A 97 8.076 -6.896 1.107 1.00 0.00 O ATOM 1609 CB ILE A 97 5.375 -6.050 2.054 1.00 0.00 C ATOM 1610 CG1 ILE A 97 5.368 -4.520 2.180 1.00 0.00 C ATOM 1611 CG2 ILE A 97 3.995 -6.632 2.343 1.00 0.00 C ATOM 1612 CD1 ILE A 97 6.336 -3.818 1.222 1.00 0.00 C ATOM 0 H ILE A 97 5.827 -5.854 4.605 1.00 0.00 H new ATOM 0 HA ILE A 97 6.250 -7.863 2.726 1.00 0.00 H new ATOM 0 HB ILE A 97 5.642 -6.222 1.011 1.00 0.00 H new ATOM 0 HG12 ILE A 97 4.358 -4.154 1.995 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.623 -4.248 3.204 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.243 -6.084 1.776 1.00 0.00 H new ATOM 0 HG22 ILE A 97 3.975 -7.682 2.052 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.780 -6.546 3.408 1.00 0.00 H new ATOM 0 HD11 ILE A 97 6.275 -2.740 1.369 1.00 0.00 H new ATOM 0 HD12 ILE A 97 7.353 -4.155 1.421 1.00 0.00 H new ATOM 0 HD13 ILE A 97 6.069 -4.059 0.193 1.00 0.00 H new ATOM 1624 N SER A 98 8.721 -5.819 3.006 1.00 0.00 N ATOM 1625 CA SER A 98 10.068 -5.428 2.530 1.00 0.00 C ATOM 1626 C SER A 98 10.809 -6.653 1.981 1.00 0.00 C ATOM 1627 O SER A 98 11.030 -6.770 0.780 1.00 0.00 O ATOM 1628 CB SER A 98 10.943 -4.726 3.592 1.00 0.00 C ATOM 1629 OG SER A 98 11.533 -5.612 4.556 1.00 0.00 O ATOM 0 H SER A 98 8.520 -5.526 3.962 1.00 0.00 H new ATOM 0 HA SER A 98 9.898 -4.693 1.743 1.00 0.00 H new ATOM 0 HB2 SER A 98 11.738 -4.179 3.086 1.00 0.00 H new ATOM 0 HB3 SER A 98 10.334 -3.990 4.118 1.00 0.00 H new ATOM 0 HG SER A 98 10.905 -5.758 5.294 1.00 0.00 H new ATOM 1635 N LYS A 99 10.898 -7.664 2.847 1.00 0.00 N ATOM 1636 CA LYS A 99 11.648 -8.915 2.614 1.00 0.00 C ATOM 1637 C LYS A 99 11.670 -9.825 3.858 1.00 0.00 C ATOM 1638 O LYS A 99 12.713 -10.312 4.296 1.00 0.00 O ATOM 1639 CB LYS A 99 13.081 -8.635 2.116 1.00 0.00 C ATOM 1640 CG LYS A 99 13.881 -7.672 3.004 1.00 0.00 C ATOM 1641 CD LYS A 99 15.299 -8.212 3.163 1.00 0.00 C ATOM 1642 CE LYS A 99 16.344 -7.122 2.930 1.00 0.00 C ATOM 1643 NZ LYS A 99 16.919 -6.635 4.189 1.00 0.00 N ATOM 0 H LYS A 99 10.440 -7.642 3.758 1.00 0.00 H new ATOM 0 HA LYS A 99 11.115 -9.451 1.829 1.00 0.00 H new ATOM 0 HB2 LYS A 99 13.620 -9.580 2.047 1.00 0.00 H new ATOM 0 HB3 LYS A 99 13.029 -8.223 1.108 1.00 0.00 H new ATOM 0 HG2 LYS A 99 13.904 -6.678 2.558 1.00 0.00 H new ATOM 0 HG3 LYS A 99 13.404 -7.573 3.979 1.00 0.00 H new ATOM 0 HD2 LYS A 99 15.421 -8.626 4.164 1.00 0.00 H new ATOM 0 HD3 LYS A 99 15.460 -9.028 2.458 1.00 0.00 H new ATOM 0 HE2 LYS A 99 17.139 -7.512 2.295 1.00 0.00 H new ATOM 0 HE3 LYS A 99 15.887 -6.290 2.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 17.623 -5.897 3.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 16.164 -6.239 4.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 17.378 -7.423 4.689 1.00 0.00 H new ATOM 1657 N GLN A 100 10.497 -10.049 4.450 1.00 0.00 N ATOM 1658 CA GLN A 100 10.381 -10.996 5.584 1.00 0.00 C ATOM 1659 C GLN A 100 10.955 -12.391 5.226 1.00 0.00 C ATOM 1660 O GLN A 100 10.842 -12.779 4.041 1.00 0.00 O ATOM 1661 CB GLN A 100 8.912 -11.042 6.037 1.00 0.00 C ATOM 1662 CG GLN A 100 8.653 -11.859 7.313 1.00 0.00 C ATOM 1663 CD GLN A 100 8.695 -13.369 7.058 1.00 0.00 C ATOM 1664 OE1 GLN A 100 8.179 -13.885 6.075 1.00 0.00 O ATOM 1665 NE2 GLN A 100 9.404 -14.098 7.889 1.00 0.00 N ATOM 1666 OXT GLN A 100 11.573 -12.994 6.132 1.00 99.99 O ATOM 0 H GLN A 100 9.622 -9.602 4.177 1.00 0.00 H new ATOM 0 HA GLN A 100 10.986 -10.649 6.422 1.00 0.00 H new ATOM 0 HB2 GLN A 100 8.565 -10.022 6.200 1.00 0.00 H new ATOM 0 HB3 GLN A 100 8.311 -11.458 5.229 1.00 0.00 H new ATOM 0 HG2 GLN A 100 9.398 -11.599 8.065 1.00 0.00 H new ATOM 0 HG3 GLN A 100 7.680 -11.589 7.723 1.00 0.00 H new ATOM 0 HE21 GLN A 100 9.833 -13.666 8.707 1.00 0.00 H new ATOM 0 HE22 GLN A 100 9.526 -15.096 7.716 1.00 0.00 H new TER 1675 GLN A 100