USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 825 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 9 LYS NZ :NH3+ -148:sc= -4.18! (180deg=-0.242) USER MOD Set 1.2: A 10 HIS : no HE2:sc= -5.75! C(o=-9.9!,f=-9.5!) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.37 USER MOD Single : A 7 GLN : amide:sc= -10.2! C(o=-10!,f=-5.4!) USER MOD Single : A 8 LYS NZ :NH3+ -148:sc= -0.177 (180deg=-0.911) USER MOD Single : A 12 THR OG1 : rot 120:sc= -2.24! USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.199 USER MOD Single : A 15 LYS NZ :NH3+ 155:sc= -0.279 (180deg=-1.5!) USER MOD Single : A 16 LYS NZ :NH3+ 154:sc= -0.154 (180deg=-0.708) USER MOD Single : A 18 LYS NZ :NH3+ -124:sc= -1.49 (180deg=-4.01!) USER MOD Single : A 23 MET CE :methyl 160:sc= -1.35 (180deg=-2.9!) USER MOD Single : A 25 LYS NZ :NH3+ 141:sc= -2.02 (180deg=-4.73!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -15.6! C(o=-16!,f=-8!) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.483 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -160:sc= 0.038 (180deg=-0.785) USER MOD Single : A 50 ASN : amide:sc= -0.381 X(o=-0.38,f=-0.07) USER MOD Single : A 54 ASN : amide:sc= -7.21! C(o=-7.2!,f=-2.5!) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.202 USER MOD Single : A 59 SER OG : rot 136:sc= 1.59 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 HIS : no HD1:sc= -1.58 K(o=-1.6,f=-3.4!) USER MOD Single : A 77 TYR OH : rot 93:sc= -0.578! USER MOD Single : A 78 LYS NZ :NH3+ 167:sc=-0.000166 (180deg=-0.232) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot -150:sc= -0.0775 USER MOD Single : A 82 SER OG : rot -39:sc= 0.225 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.064 USER MOD Single : A 84 ASN : amide:sc= -3.73! C(o=-3.7!,f=-7!) USER MOD Single : A 85 THR OG1 : rot -85:sc= 1.4 USER MOD Single : A 87 CYS SG : rot 180:sc= -2.59 USER MOD Single : A 89 THR OG1 : rot -53:sc= 0.00568 USER MOD Single : A 92 ASN : amide:sc= -0.445 K(o=-0.44,f=-1!) USER MOD Single : A 93 GLN : amide:sc= -1.13! K(o=-1.1!,f=0) USER MOD Single : A 97 HIS : no HD1:sc= -0.847 X(o=-0.85,f=-0.77) USER MOD Single : A 103 SER OG : rot 180:sc= -0.129 USER MOD ----------------------------------------------------------------- ATOM 15 N ASP A 2 -6.769 10.455 -0.996 1.00 1.00 N ATOM 16 CA ASP A 2 -6.930 10.726 -2.453 1.00 1.00 C ATOM 17 C ASP A 2 -6.356 9.548 -3.243 1.00 1.00 C ATOM 18 O ASP A 2 -5.212 9.175 -3.081 1.00 1.00 O ATOM 19 CB ASP A 2 -6.185 12.010 -2.828 1.00 1.00 C ATOM 20 CG ASP A 2 -6.377 12.296 -4.318 1.00 1.00 C ATOM 21 OD1 ASP A 2 -6.186 11.384 -5.106 1.00 1.00 O ATOM 22 OD2 ASP A 2 -6.711 13.422 -4.647 1.00 1.00 O ATOM 0 HA ASP A 2 -7.987 10.849 -2.689 1.00 1.00 H new ATOM 0 HB2 ASP A 2 -6.558 12.845 -2.236 1.00 1.00 H new ATOM 0 HB3 ASP A 2 -5.124 11.907 -2.601 1.00 1.00 H new ATOM 27 N TRP A 3 -7.149 8.952 -4.089 1.00 1.00 N ATOM 28 CA TRP A 3 -6.664 7.788 -4.883 1.00 1.00 C ATOM 29 C TRP A 3 -5.298 8.114 -5.496 1.00 1.00 C ATOM 30 O TRP A 3 -4.481 7.241 -5.709 1.00 1.00 O ATOM 31 CB TRP A 3 -7.689 7.478 -5.978 1.00 1.00 C ATOM 32 CG TRP A 3 -7.113 6.570 -7.026 1.00 1.00 C ATOM 33 CD1 TRP A 3 -7.329 6.715 -8.354 1.00 1.00 C ATOM 34 CD2 TRP A 3 -6.262 5.386 -6.879 1.00 1.00 C ATOM 35 NE1 TRP A 3 -6.662 5.713 -9.031 1.00 1.00 N ATOM 36 CE2 TRP A 3 -5.991 4.870 -8.171 1.00 1.00 C ATOM 37 CE3 TRP A 3 -5.699 4.717 -5.772 1.00 1.00 C ATOM 38 CZ2 TRP A 3 -5.198 3.740 -8.358 1.00 1.00 C ATOM 39 CZ3 TRP A 3 -4.900 3.577 -5.961 1.00 1.00 C ATOM 40 CH2 TRP A 3 -4.650 3.091 -7.251 1.00 1.00 C ATOM 0 H TRP A 3 -8.117 9.222 -4.266 1.00 1.00 H new ATOM 0 HA TRP A 3 -6.550 6.915 -4.241 1.00 1.00 H new ATOM 0 HB2 TRP A 3 -8.568 7.012 -5.534 1.00 1.00 H new ATOM 0 HB3 TRP A 3 -8.021 8.407 -6.442 1.00 1.00 H new ATOM 0 HD1 TRP A 3 -7.927 7.490 -8.811 1.00 1.00 H new ATOM 0 HE1 TRP A 3 -6.665 5.609 -10.046 1.00 1.00 H new ATOM 0 HE3 TRP A 3 -5.883 5.083 -4.773 1.00 1.00 H new ATOM 0 HZ2 TRP A 3 -5.008 3.368 -9.354 1.00 1.00 H new ATOM 0 HZ3 TRP A 3 -4.476 3.072 -5.106 1.00 1.00 H new ATOM 0 HH2 TRP A 3 -4.034 2.215 -7.388 1.00 1.00 H new ATOM 51 N GLU A 4 -5.040 9.362 -5.772 1.00 1.00 N ATOM 52 CA GLU A 4 -3.722 9.732 -6.364 1.00 1.00 C ATOM 53 C GLU A 4 -2.607 9.395 -5.372 1.00 1.00 C ATOM 54 O GLU A 4 -1.945 8.386 -5.492 1.00 1.00 O ATOM 55 CB GLU A 4 -3.700 11.230 -6.671 1.00 1.00 C ATOM 56 CG GLU A 4 -2.401 11.583 -7.399 1.00 1.00 C ATOM 57 CD GLU A 4 -2.437 13.053 -7.824 1.00 1.00 C ATOM 58 OE1 GLU A 4 -2.398 13.902 -6.948 1.00 1.00 O ATOM 59 OE2 GLU A 4 -2.501 13.304 -9.015 1.00 1.00 O ATOM 0 H GLU A 4 -5.681 10.140 -5.614 1.00 1.00 H new ATOM 0 HA GLU A 4 -3.568 9.173 -7.287 1.00 1.00 H new ATOM 0 HB2 GLU A 4 -4.559 11.499 -7.286 1.00 1.00 H new ATOM 0 HB3 GLU A 4 -3.779 11.803 -5.747 1.00 1.00 H new ATOM 0 HG2 GLU A 4 -1.546 11.403 -6.747 1.00 1.00 H new ATOM 0 HG3 GLU A 4 -2.276 10.944 -8.273 1.00 1.00 H new ATOM 66 N THR A 5 -2.389 10.225 -4.390 1.00 1.00 N ATOM 67 CA THR A 5 -1.312 9.923 -3.407 1.00 1.00 C ATOM 68 C THR A 5 -1.486 8.493 -2.903 1.00 1.00 C ATOM 69 O THR A 5 -0.552 7.718 -2.874 1.00 1.00 O ATOM 70 CB THR A 5 -1.391 10.899 -2.232 1.00 1.00 C ATOM 71 OG1 THR A 5 -0.245 10.738 -1.409 1.00 1.00 O ATOM 72 CG2 THR A 5 -2.654 10.627 -1.411 1.00 1.00 C ATOM 0 H THR A 5 -2.904 11.090 -4.227 1.00 1.00 H new ATOM 0 HA THR A 5 -0.339 10.028 -3.887 1.00 1.00 H new ATOM 0 HB THR A 5 -1.428 11.919 -2.614 1.00 1.00 H new ATOM 0 HG1 THR A 5 -0.292 11.363 -0.656 1.00 1.00 H new ATOM 0 HG21 THR A 5 -2.703 11.326 -0.576 1.00 1.00 H new ATOM 0 HG22 THR A 5 -3.533 10.754 -2.043 1.00 1.00 H new ATOM 0 HG23 THR A 5 -2.627 9.607 -1.029 1.00 1.00 H new ATOM 80 N PHE A 6 -2.679 8.131 -2.520 1.00 1.00 N ATOM 81 CA PHE A 6 -2.907 6.744 -2.037 1.00 1.00 C ATOM 82 C PHE A 6 -2.329 5.773 -3.066 1.00 1.00 C ATOM 83 O PHE A 6 -1.980 4.654 -2.757 1.00 1.00 O ATOM 84 CB PHE A 6 -4.409 6.499 -1.879 1.00 1.00 C ATOM 85 CG PHE A 6 -4.639 5.321 -0.964 1.00 1.00 C ATOM 86 CD1 PHE A 6 -4.520 5.479 0.421 1.00 1.00 C ATOM 87 CD2 PHE A 6 -4.973 4.073 -1.501 1.00 1.00 C ATOM 88 CE1 PHE A 6 -4.736 4.388 1.270 1.00 1.00 C ATOM 89 CE2 PHE A 6 -5.189 2.982 -0.653 1.00 1.00 C ATOM 90 CZ PHE A 6 -5.070 3.139 0.732 1.00 1.00 C ATOM 0 H PHE A 6 -3.502 8.734 -2.521 1.00 1.00 H new ATOM 0 HA PHE A 6 -2.422 6.596 -1.072 1.00 1.00 H new ATOM 0 HB2 PHE A 6 -4.891 7.388 -1.472 1.00 1.00 H new ATOM 0 HB3 PHE A 6 -4.861 6.309 -2.853 1.00 1.00 H new ATOM 0 HD1 PHE A 6 -4.262 6.443 0.835 1.00 1.00 H new ATOM 0 HD2 PHE A 6 -5.064 3.952 -2.570 1.00 1.00 H new ATOM 0 HE1 PHE A 6 -4.645 4.509 2.339 1.00 1.00 H new ATOM 0 HE2 PHE A 6 -5.448 2.019 -1.067 1.00 1.00 H new ATOM 0 HZ PHE A 6 -5.236 2.296 1.387 1.00 1.00 H new ATOM 100 N GLN A 7 -2.215 6.205 -4.292 1.00 1.00 N ATOM 101 CA GLN A 7 -1.645 5.318 -5.340 1.00 1.00 C ATOM 102 C GLN A 7 -0.132 5.529 -5.390 1.00 1.00 C ATOM 103 O GLN A 7 0.603 4.719 -5.917 1.00 1.00 O ATOM 104 CB GLN A 7 -2.263 5.664 -6.702 1.00 1.00 C ATOM 105 CG GLN A 7 -1.645 4.786 -7.796 1.00 1.00 C ATOM 106 CD GLN A 7 -0.305 5.371 -8.259 1.00 1.00 C ATOM 107 OE1 GLN A 7 0.400 4.756 -9.034 1.00 1.00 O ATOM 108 NE2 GLN A 7 0.082 6.539 -7.821 1.00 1.00 N ATOM 0 H GLN A 7 -2.492 7.133 -4.611 1.00 1.00 H new ATOM 0 HA GLN A 7 -1.866 4.276 -5.107 1.00 1.00 H new ATOM 0 HB2 GLN A 7 -3.342 5.514 -6.670 1.00 1.00 H new ATOM 0 HB3 GLN A 7 -2.095 6.716 -6.930 1.00 1.00 H new ATOM 0 HG2 GLN A 7 -1.496 3.774 -7.418 1.00 1.00 H new ATOM 0 HG3 GLN A 7 -2.329 4.713 -8.642 1.00 1.00 H new ATOM 0 HE21 GLN A 7 -0.506 7.060 -7.170 1.00 1.00 H new ATOM 0 HE22 GLN A 7 0.972 6.930 -8.130 1.00 1.00 H new ATOM 117 N LYS A 8 0.335 6.629 -4.858 1.00 1.00 N ATOM 118 CA LYS A 8 1.798 6.915 -4.891 1.00 1.00 C ATOM 119 C LYS A 8 2.503 6.349 -3.650 1.00 1.00 C ATOM 120 O LYS A 8 3.510 5.678 -3.756 1.00 1.00 O ATOM 121 CB LYS A 8 2.006 8.431 -4.941 1.00 1.00 C ATOM 122 CG LYS A 8 1.180 9.034 -6.087 1.00 1.00 C ATOM 123 CD LYS A 8 1.986 8.993 -7.393 1.00 1.00 C ATOM 124 CE LYS A 8 2.863 10.244 -7.502 1.00 1.00 C ATOM 125 NZ LYS A 8 1.995 11.449 -7.630 1.00 1.00 N ATOM 0 H LYS A 8 -0.235 7.341 -4.402 1.00 1.00 H new ATOM 0 HA LYS A 8 2.225 6.439 -5.774 1.00 1.00 H new ATOM 0 HB2 LYS A 8 1.710 8.879 -3.993 1.00 1.00 H new ATOM 0 HB3 LYS A 8 3.063 8.657 -5.084 1.00 1.00 H new ATOM 0 HG2 LYS A 8 0.249 8.479 -6.207 1.00 1.00 H new ATOM 0 HG3 LYS A 8 0.909 10.063 -5.849 1.00 1.00 H new ATOM 0 HD2 LYS A 8 2.608 8.098 -7.419 1.00 1.00 H new ATOM 0 HD3 LYS A 8 1.310 8.936 -8.246 1.00 1.00 H new ATOM 0 HE2 LYS A 8 3.500 10.333 -6.622 1.00 1.00 H new ATOM 0 HE3 LYS A 8 3.523 10.164 -8.366 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 2.476 12.162 -8.214 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 1.095 11.183 -8.079 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 1.808 11.844 -6.686 1.00 1.00 H new ATOM 139 N LYS A 9 2.011 6.641 -2.473 1.00 1.00 N ATOM 140 CA LYS A 9 2.691 6.145 -1.237 1.00 1.00 C ATOM 141 C LYS A 9 2.181 4.757 -0.828 1.00 1.00 C ATOM 142 O LYS A 9 2.958 3.857 -0.587 1.00 1.00 O ATOM 143 CB LYS A 9 2.444 7.133 -0.093 1.00 1.00 C ATOM 144 CG LYS A 9 0.940 7.272 0.159 1.00 1.00 C ATOM 145 CD LYS A 9 0.666 8.570 0.922 1.00 1.00 C ATOM 146 CE LYS A 9 -0.758 8.546 1.480 1.00 1.00 C ATOM 147 NZ LYS A 9 -0.817 7.623 2.649 1.00 1.00 N ATOM 0 H LYS A 9 1.172 7.199 -2.314 1.00 1.00 H new ATOM 0 HA LYS A 9 3.757 6.064 -1.447 1.00 1.00 H new ATOM 0 HB2 LYS A 9 2.943 6.787 0.812 1.00 1.00 H new ATOM 0 HB3 LYS A 9 2.871 8.105 -0.341 1.00 1.00 H new ATOM 0 HG2 LYS A 9 0.401 7.274 -0.788 1.00 1.00 H new ATOM 0 HG3 LYS A 9 0.576 6.418 0.731 1.00 1.00 H new ATOM 0 HD2 LYS A 9 1.384 8.685 1.734 1.00 1.00 H new ATOM 0 HD3 LYS A 9 0.794 9.427 0.260 1.00 1.00 H new ATOM 0 HE2 LYS A 9 -1.060 9.550 1.780 1.00 1.00 H new ATOM 0 HE3 LYS A 9 -1.457 8.220 0.710 1.00 1.00 H new ATOM 0 HZ1 LYS A 9 -1.757 7.181 2.696 1.00 1.00 H new ATOM 0 HZ2 LYS A 9 -0.092 6.884 2.545 1.00 1.00 H new ATOM 0 HZ3 LYS A 9 -0.642 8.158 3.523 1.00 1.00 H new ATOM 161 N HIS A 10 0.895 4.574 -0.717 1.00 1.00 N ATOM 162 CA HIS A 10 0.375 3.240 -0.288 1.00 1.00 C ATOM 163 C HIS A 10 0.587 2.194 -1.384 1.00 1.00 C ATOM 164 O HIS A 10 0.467 1.018 -1.132 1.00 1.00 O ATOM 165 CB HIS A 10 -1.119 3.349 0.038 1.00 1.00 C ATOM 166 CG HIS A 10 -1.295 3.927 1.416 1.00 1.00 C ATOM 167 ND1 HIS A 10 -1.028 3.196 2.566 1.00 1.00 N ATOM 168 CD2 HIS A 10 -1.709 5.164 1.846 1.00 1.00 C ATOM 169 CE1 HIS A 10 -1.283 3.991 3.622 1.00 1.00 C ATOM 170 NE2 HIS A 10 -1.701 5.198 3.236 1.00 1.00 N ATOM 0 H HIS A 10 0.184 5.282 -0.902 1.00 1.00 H new ATOM 0 HA HIS A 10 0.923 2.926 0.600 1.00 1.00 H new ATOM 0 HB2 HIS A 10 -1.617 3.980 -0.698 1.00 1.00 H new ATOM 0 HB3 HIS A 10 -1.586 2.366 -0.017 1.00 1.00 H new ATOM 0 HD1 HIS A 10 -0.698 2.231 2.604 1.00 1.00 H new ATOM 0 HD2 HIS A 10 -1.996 5.983 1.204 1.00 1.00 H new ATOM 0 HE1 HIS A 10 -1.164 3.690 4.652 1.00 1.00 H new ATOM 179 N LEU A 11 0.896 2.596 -2.591 1.00 1.00 N ATOM 180 CA LEU A 11 1.106 1.590 -3.684 1.00 1.00 C ATOM 181 C LEU A 11 2.468 1.809 -4.340 1.00 1.00 C ATOM 182 O LEU A 11 3.021 2.891 -4.309 1.00 1.00 O ATOM 183 CB LEU A 11 0.012 1.762 -4.748 1.00 1.00 C ATOM 184 CG LEU A 11 -1.113 0.748 -4.523 1.00 1.00 C ATOM 185 CD1 LEU A 11 -1.846 1.064 -3.217 1.00 1.00 C ATOM 186 CD2 LEU A 11 -2.098 0.827 -5.688 1.00 1.00 C ATOM 0 H LEU A 11 1.012 3.571 -2.869 1.00 1.00 H new ATOM 0 HA LEU A 11 1.063 0.588 -3.258 1.00 1.00 H new ATOM 0 HB2 LEU A 11 -0.389 2.775 -4.707 1.00 1.00 H new ATOM 0 HB3 LEU A 11 0.438 1.628 -5.742 1.00 1.00 H new ATOM 0 HG LEU A 11 -0.689 -0.254 -4.462 1.00 1.00 H new ATOM 0 HD11 LEU A 11 -2.645 0.339 -3.063 1.00 1.00 H new ATOM 0 HD12 LEU A 11 -1.144 1.013 -2.384 1.00 1.00 H new ATOM 0 HD13 LEU A 11 -2.271 2.066 -3.272 1.00 1.00 H new ATOM 0 HD21 LEU A 11 -2.902 0.107 -5.534 1.00 1.00 H new ATOM 0 HD22 LEU A 11 -2.516 1.832 -5.743 1.00 1.00 H new ATOM 0 HD23 LEU A 11 -1.579 0.598 -6.619 1.00 1.00 H new ATOM 198 N THR A 12 3.003 0.786 -4.954 1.00 1.00 N ATOM 199 CA THR A 12 4.322 0.927 -5.639 1.00 1.00 C ATOM 200 C THR A 12 4.264 0.202 -6.986 1.00 1.00 C ATOM 201 O THR A 12 3.201 -0.132 -7.471 1.00 1.00 O ATOM 202 CB THR A 12 5.432 0.327 -4.772 1.00 1.00 C ATOM 203 OG1 THR A 12 6.638 0.297 -5.523 1.00 1.00 O ATOM 204 CG2 THR A 12 5.063 -1.097 -4.339 1.00 1.00 C ATOM 0 H THR A 12 2.583 -0.142 -5.011 1.00 1.00 H new ATOM 0 HA THR A 12 4.538 1.983 -5.799 1.00 1.00 H new ATOM 0 HB THR A 12 5.561 0.940 -3.880 1.00 1.00 H new ATOM 0 HG1 THR A 12 7.320 0.834 -5.068 1.00 1.00 H new ATOM 0 HG21 THR A 12 5.863 -1.509 -3.723 1.00 1.00 H new ATOM 0 HG22 THR A 12 4.137 -1.074 -3.764 1.00 1.00 H new ATOM 0 HG23 THR A 12 4.926 -1.722 -5.222 1.00 1.00 H new ATOM 212 N ASP A 13 5.394 -0.028 -7.606 1.00 1.00 N ATOM 213 CA ASP A 13 5.393 -0.714 -8.936 1.00 1.00 C ATOM 214 C ASP A 13 6.199 -2.016 -8.876 1.00 1.00 C ATOM 215 O ASP A 13 6.625 -2.528 -9.892 1.00 1.00 O ATOM 216 CB ASP A 13 6.021 0.215 -9.978 1.00 1.00 C ATOM 217 CG ASP A 13 5.153 1.464 -10.138 1.00 1.00 C ATOM 218 OD1 ASP A 13 3.949 1.311 -10.268 1.00 1.00 O ATOM 219 OD2 ASP A 13 5.705 2.551 -10.128 1.00 1.00 O ATOM 0 H ASP A 13 6.315 0.228 -7.251 1.00 1.00 H new ATOM 0 HA ASP A 13 4.364 -0.951 -9.207 1.00 1.00 H new ATOM 0 HB2 ASP A 13 7.028 0.496 -9.670 1.00 1.00 H new ATOM 0 HB3 ASP A 13 6.113 -0.302 -10.933 1.00 1.00 H new ATOM 224 N THR A 14 6.417 -2.566 -7.711 1.00 1.00 N ATOM 225 CA THR A 14 7.199 -3.835 -7.644 1.00 1.00 C ATOM 226 C THR A 14 7.063 -4.470 -6.260 1.00 1.00 C ATOM 227 O THR A 14 6.877 -3.794 -5.268 1.00 1.00 O ATOM 228 CB THR A 14 8.674 -3.535 -7.921 1.00 1.00 C ATOM 229 OG1 THR A 14 9.407 -4.751 -7.945 1.00 1.00 O ATOM 230 CG2 THR A 14 9.224 -2.626 -6.822 1.00 1.00 C ATOM 0 H THR A 14 6.093 -2.199 -6.816 1.00 1.00 H new ATOM 0 HA THR A 14 6.813 -4.529 -8.391 1.00 1.00 H new ATOM 0 HB THR A 14 8.770 -3.035 -8.885 1.00 1.00 H new ATOM 0 HG1 THR A 14 10.351 -4.560 -8.124 1.00 1.00 H new ATOM 0 HG21 THR A 14 10.275 -2.412 -7.019 1.00 1.00 H new ATOM 0 HG22 THR A 14 8.661 -1.693 -6.806 1.00 1.00 H new ATOM 0 HG23 THR A 14 9.130 -3.124 -5.857 1.00 1.00 H new ATOM 238 N LYS A 15 7.168 -5.771 -6.185 1.00 1.00 N ATOM 239 CA LYS A 15 7.061 -6.456 -4.867 1.00 1.00 C ATOM 240 C LYS A 15 8.346 -6.213 -4.076 1.00 1.00 C ATOM 241 O LYS A 15 8.390 -6.376 -2.873 1.00 1.00 O ATOM 242 CB LYS A 15 6.870 -7.959 -5.085 1.00 1.00 C ATOM 243 CG LYS A 15 7.834 -8.442 -6.172 1.00 1.00 C ATOM 244 CD LYS A 15 7.883 -9.975 -6.184 1.00 1.00 C ATOM 245 CE LYS A 15 6.639 -10.529 -6.887 1.00 1.00 C ATOM 246 NZ LYS A 15 6.550 -9.962 -8.263 1.00 1.00 N ATOM 0 H LYS A 15 7.324 -6.388 -6.982 1.00 1.00 H new ATOM 0 HA LYS A 15 6.208 -6.063 -4.315 1.00 1.00 H new ATOM 0 HB2 LYS A 15 7.053 -8.498 -4.156 1.00 1.00 H new ATOM 0 HB3 LYS A 15 5.841 -8.167 -5.377 1.00 1.00 H new ATOM 0 HG2 LYS A 15 7.512 -8.072 -7.146 1.00 1.00 H new ATOM 0 HG3 LYS A 15 8.831 -8.039 -5.991 1.00 1.00 H new ATOM 0 HD2 LYS A 15 8.783 -10.315 -6.696 1.00 1.00 H new ATOM 0 HD3 LYS A 15 7.934 -10.354 -5.163 1.00 1.00 H new ATOM 0 HE2 LYS A 15 6.689 -11.617 -6.933 1.00 1.00 H new ATOM 0 HE3 LYS A 15 5.744 -10.275 -6.319 1.00 1.00 H new ATOM 0 HZ1 LYS A 15 6.006 -10.608 -8.870 1.00 1.00 H new ATOM 0 HZ2 LYS A 15 6.075 -9.038 -8.228 1.00 1.00 H new ATOM 0 HZ3 LYS A 15 7.507 -9.844 -8.653 1.00 1.00 H new ATOM 260 N LYS A 16 9.393 -5.816 -4.751 1.00 1.00 N ATOM 261 CA LYS A 16 10.687 -5.546 -4.062 1.00 1.00 C ATOM 262 C LYS A 16 11.011 -4.056 -4.186 1.00 1.00 C ATOM 263 O LYS A 16 12.021 -3.673 -4.742 1.00 1.00 O ATOM 264 CB LYS A 16 11.799 -6.368 -4.723 1.00 1.00 C ATOM 265 CG LYS A 16 11.757 -6.172 -6.242 1.00 1.00 C ATOM 266 CD LYS A 16 12.653 -7.212 -6.915 1.00 1.00 C ATOM 267 CE LYS A 16 12.899 -6.812 -8.371 1.00 1.00 C ATOM 268 NZ LYS A 16 13.719 -5.568 -8.414 1.00 1.00 N ATOM 0 H LYS A 16 9.406 -5.666 -5.760 1.00 1.00 H new ATOM 0 HA LYS A 16 10.612 -5.823 -3.010 1.00 1.00 H new ATOM 0 HB2 LYS A 16 12.770 -6.062 -4.334 1.00 1.00 H new ATOM 0 HB3 LYS A 16 11.677 -7.424 -4.480 1.00 1.00 H new ATOM 0 HG2 LYS A 16 10.733 -6.269 -6.604 1.00 1.00 H new ATOM 0 HG3 LYS A 16 12.092 -5.167 -6.499 1.00 1.00 H new ATOM 0 HD2 LYS A 16 13.601 -7.289 -6.383 1.00 1.00 H new ATOM 0 HD3 LYS A 16 12.183 -8.194 -6.872 1.00 1.00 H new ATOM 0 HE2 LYS A 16 13.412 -7.616 -8.898 1.00 1.00 H new ATOM 0 HE3 LYS A 16 11.949 -6.652 -8.881 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 14.247 -5.531 -9.309 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 13.095 -4.739 -8.346 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 14.387 -5.565 -7.617 1.00 1.00 H new ATOM 282 N VAL A 17 10.154 -3.212 -3.680 1.00 1.00 N ATOM 283 CA VAL A 17 10.406 -1.747 -3.783 1.00 1.00 C ATOM 284 C VAL A 17 11.794 -1.418 -3.271 1.00 1.00 C ATOM 285 O VAL A 17 12.447 -2.220 -2.633 1.00 1.00 O ATOM 286 CB VAL A 17 9.397 -0.978 -2.935 1.00 1.00 C ATOM 287 CG1 VAL A 17 7.992 -1.242 -3.453 1.00 1.00 C ATOM 288 CG2 VAL A 17 9.502 -1.431 -1.475 1.00 1.00 C ATOM 0 H VAL A 17 9.292 -3.473 -3.201 1.00 1.00 H new ATOM 0 HA VAL A 17 10.313 -1.462 -4.831 1.00 1.00 H new ATOM 0 HB VAL A 17 9.610 0.089 -2.997 1.00 1.00 H new ATOM 0 HG11 VAL A 17 7.272 -0.693 -2.847 1.00 1.00 H new ATOM 0 HG12 VAL A 17 7.919 -0.914 -4.490 1.00 1.00 H new ATOM 0 HG13 VAL A 17 7.777 -2.309 -3.394 1.00 1.00 H new ATOM 0 HG21 VAL A 17 8.781 -0.881 -0.871 1.00 1.00 H new ATOM 0 HG22 VAL A 17 9.291 -2.498 -1.409 1.00 1.00 H new ATOM 0 HG23 VAL A 17 10.509 -1.236 -1.105 1.00 1.00 H new ATOM 298 N LYS A 18 12.232 -0.223 -3.524 1.00 1.00 N ATOM 299 CA LYS A 18 13.563 0.201 -3.034 1.00 1.00 C ATOM 300 C LYS A 18 13.349 1.005 -1.758 1.00 1.00 C ATOM 301 O LYS A 18 13.567 2.197 -1.717 1.00 1.00 O ATOM 302 CB LYS A 18 14.255 1.067 -4.091 1.00 1.00 C ATOM 303 CG LYS A 18 13.226 1.987 -4.750 1.00 1.00 C ATOM 304 CD LYS A 18 13.939 2.961 -5.693 1.00 1.00 C ATOM 305 CE LYS A 18 14.646 2.183 -6.808 1.00 1.00 C ATOM 306 NZ LYS A 18 15.999 1.767 -6.342 1.00 1.00 N ATOM 0 H LYS A 18 11.721 0.483 -4.053 1.00 1.00 H new ATOM 0 HA LYS A 18 14.194 -0.665 -2.837 1.00 1.00 H new ATOM 0 HB2 LYS A 18 15.046 1.659 -3.630 1.00 1.00 H new ATOM 0 HB3 LYS A 18 14.727 0.434 -4.843 1.00 1.00 H new ATOM 0 HG2 LYS A 18 12.497 1.396 -5.304 1.00 1.00 H new ATOM 0 HG3 LYS A 18 12.676 2.539 -3.988 1.00 1.00 H new ATOM 0 HD2 LYS A 18 13.219 3.657 -6.123 1.00 1.00 H new ATOM 0 HD3 LYS A 18 14.664 3.555 -5.136 1.00 1.00 H new ATOM 0 HE2 LYS A 18 14.059 1.307 -7.083 1.00 1.00 H new ATOM 0 HE3 LYS A 18 14.732 2.803 -7.701 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 16.719 2.123 -7.003 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 16.175 2.158 -5.395 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 16.049 0.729 -6.302 1.00 1.00 H new ATOM 320 N CYS A 19 12.891 0.352 -0.723 1.00 1.00 N ATOM 321 CA CYS A 19 12.620 1.050 0.565 1.00 1.00 C ATOM 322 C CYS A 19 13.631 2.182 0.789 1.00 1.00 C ATOM 323 O CYS A 19 13.281 3.265 1.224 1.00 1.00 O ATOM 324 CB CYS A 19 12.732 0.044 1.711 1.00 1.00 C ATOM 325 SG CYS A 19 11.291 -1.048 1.692 1.00 1.00 S ATOM 0 H CYS A 19 12.691 -0.648 -0.717 1.00 1.00 H new ATOM 0 HA CYS A 19 11.617 1.476 0.531 1.00 1.00 H new ATOM 0 HB2 CYS A 19 13.647 -0.540 1.609 1.00 1.00 H new ATOM 0 HB3 CYS A 19 12.793 0.568 2.665 1.00 1.00 H new ATOM 330 N ASP A 20 14.882 1.938 0.497 1.00 1.00 N ATOM 331 CA ASP A 20 15.923 2.988 0.695 1.00 1.00 C ATOM 332 C ASP A 20 15.412 4.324 0.162 1.00 1.00 C ATOM 333 O ASP A 20 15.607 5.360 0.763 1.00 1.00 O ATOM 334 CB ASP A 20 17.195 2.592 -0.058 1.00 1.00 C ATOM 335 CG ASP A 20 18.329 3.548 0.317 1.00 1.00 C ATOM 336 OD1 ASP A 20 18.326 4.662 -0.180 1.00 1.00 O ATOM 337 OD2 ASP A 20 19.181 3.150 1.093 1.00 1.00 O ATOM 0 H ASP A 20 15.228 1.052 0.128 1.00 1.00 H new ATOM 0 HA ASP A 20 16.143 3.083 1.758 1.00 1.00 H new ATOM 0 HB2 ASP A 20 17.472 1.567 0.189 1.00 1.00 H new ATOM 0 HB3 ASP A 20 17.019 2.624 -1.133 1.00 1.00 H new ATOM 342 N VAL A 21 14.749 4.302 -0.959 1.00 1.00 N ATOM 343 CA VAL A 21 14.210 5.562 -1.540 1.00 1.00 C ATOM 344 C VAL A 21 12.705 5.626 -1.278 1.00 1.00 C ATOM 345 O VAL A 21 12.155 6.682 -1.057 1.00 1.00 O ATOM 346 CB VAL A 21 14.474 5.573 -3.046 1.00 1.00 C ATOM 347 CG1 VAL A 21 14.412 7.007 -3.578 1.00 1.00 C ATOM 348 CG2 VAL A 21 15.861 4.988 -3.320 1.00 1.00 C ATOM 0 H VAL A 21 14.556 3.460 -1.501 1.00 1.00 H new ATOM 0 HA VAL A 21 14.696 6.424 -1.083 1.00 1.00 H new ATOM 0 HB VAL A 21 13.715 4.974 -3.548 1.00 1.00 H new ATOM 0 HG11 VAL A 21 14.601 7.005 -4.651 1.00 1.00 H new ATOM 0 HG12 VAL A 21 13.424 7.425 -3.384 1.00 1.00 H new ATOM 0 HG13 VAL A 21 15.167 7.614 -3.078 1.00 1.00 H new ATOM 0 HG21 VAL A 21 16.053 4.994 -4.393 1.00 1.00 H new ATOM 0 HG22 VAL A 21 16.616 5.589 -2.813 1.00 1.00 H new ATOM 0 HG23 VAL A 21 15.904 3.964 -2.950 1.00 1.00 H new ATOM 358 N GLU A 22 12.040 4.501 -1.281 1.00 1.00 N ATOM 359 CA GLU A 22 10.573 4.507 -1.015 1.00 1.00 C ATOM 360 C GLU A 22 10.324 5.176 0.340 1.00 1.00 C ATOM 361 O GLU A 22 9.198 5.371 0.753 1.00 1.00 O ATOM 362 CB GLU A 22 10.047 3.064 -0.991 1.00 1.00 C ATOM 363 CG GLU A 22 8.759 2.966 -1.815 1.00 1.00 C ATOM 364 CD GLU A 22 9.100 3.015 -3.306 1.00 1.00 C ATOM 365 OE1 GLU A 22 10.278 3.037 -3.623 1.00 1.00 O ATOM 366 OE2 GLU A 22 8.178 3.032 -4.104 1.00 1.00 O ATOM 0 H GLU A 22 12.448 3.582 -1.455 1.00 1.00 H new ATOM 0 HA GLU A 22 10.053 5.057 -1.799 1.00 1.00 H new ATOM 0 HB2 GLU A 22 10.800 2.386 -1.394 1.00 1.00 H new ATOM 0 HB3 GLU A 22 9.856 2.754 0.036 1.00 1.00 H new ATOM 0 HG2 GLU A 22 8.235 2.039 -1.581 1.00 1.00 H new ATOM 0 HG3 GLU A 22 8.087 3.785 -1.558 1.00 1.00 H new ATOM 373 N MET A 23 11.377 5.523 1.033 1.00 1.00 N ATOM 374 CA MET A 23 11.229 6.177 2.367 1.00 1.00 C ATOM 375 C MET A 23 12.201 7.355 2.477 1.00 1.00 C ATOM 376 O MET A 23 11.843 8.426 2.923 1.00 1.00 O ATOM 377 CB MET A 23 11.550 5.167 3.470 1.00 1.00 C ATOM 378 CG MET A 23 10.600 3.974 3.368 1.00 1.00 C ATOM 379 SD MET A 23 11.085 2.722 4.583 1.00 1.00 S ATOM 380 CE MET A 23 10.790 3.716 6.066 1.00 1.00 C ATOM 0 H MET A 23 12.340 5.380 0.730 1.00 1.00 H new ATOM 0 HA MET A 23 10.205 6.534 2.476 1.00 1.00 H new ATOM 0 HB2 MET A 23 12.583 4.831 3.379 1.00 1.00 H new ATOM 0 HB3 MET A 23 11.453 5.639 4.448 1.00 1.00 H new ATOM 0 HG2 MET A 23 9.574 4.294 3.548 1.00 1.00 H new ATOM 0 HG3 MET A 23 10.631 3.554 2.363 1.00 1.00 H new ATOM 0 HE1 MET A 23 10.680 3.059 6.929 1.00 1.00 H new ATOM 0 HE2 MET A 23 11.633 4.388 6.227 1.00 1.00 H new ATOM 0 HE3 MET A 23 9.879 4.301 5.937 1.00 1.00 H new ATOM 390 N ALA A 24 13.433 7.167 2.086 1.00 1.00 N ATOM 391 CA ALA A 24 14.416 8.282 2.184 1.00 1.00 C ATOM 392 C ALA A 24 14.158 9.294 1.067 1.00 1.00 C ATOM 393 O ALA A 24 14.866 10.270 0.927 1.00 1.00 O ATOM 394 CB ALA A 24 15.839 7.730 2.064 1.00 1.00 C ATOM 0 H ALA A 24 13.799 6.294 1.705 1.00 1.00 H new ATOM 0 HA ALA A 24 14.305 8.776 3.149 1.00 1.00 H new ATOM 0 HB1 ALA A 24 16.554 8.549 2.136 1.00 1.00 H new ATOM 0 HB2 ALA A 24 16.022 7.017 2.868 1.00 1.00 H new ATOM 0 HB3 ALA A 24 15.956 7.230 1.102 1.00 1.00 H new ATOM 400 N LYS A 25 13.150 9.067 0.272 1.00 1.00 N ATOM 401 CA LYS A 25 12.845 10.015 -0.835 1.00 1.00 C ATOM 402 C LYS A 25 12.536 11.400 -0.248 1.00 1.00 C ATOM 403 O LYS A 25 13.268 11.905 0.578 1.00 1.00 O ATOM 404 CB LYS A 25 11.643 9.508 -1.636 1.00 1.00 C ATOM 405 CG LYS A 25 10.505 9.121 -0.685 1.00 1.00 C ATOM 406 CD LYS A 25 9.564 8.147 -1.393 1.00 1.00 C ATOM 407 CE LYS A 25 9.069 8.769 -2.702 1.00 1.00 C ATOM 408 NZ LYS A 25 7.812 8.091 -3.129 1.00 1.00 N ATOM 0 H LYS A 25 12.524 8.265 0.341 1.00 1.00 H new ATOM 0 HA LYS A 25 13.706 10.088 -1.499 1.00 1.00 H new ATOM 0 HB2 LYS A 25 11.304 10.280 -2.327 1.00 1.00 H new ATOM 0 HB3 LYS A 25 11.934 8.647 -2.238 1.00 1.00 H new ATOM 0 HG2 LYS A 25 10.910 8.663 0.217 1.00 1.00 H new ATOM 0 HG3 LYS A 25 9.958 10.011 -0.373 1.00 1.00 H new ATOM 0 HD2 LYS A 25 10.081 7.210 -1.597 1.00 1.00 H new ATOM 0 HD3 LYS A 25 8.718 7.910 -0.748 1.00 1.00 H new ATOM 0 HE2 LYS A 25 8.891 9.836 -2.566 1.00 1.00 H new ATOM 0 HE3 LYS A 25 9.830 8.669 -3.476 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 7.154 8.794 -3.522 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 8.031 7.379 -3.854 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 7.373 7.626 -2.309 1.00 1.00 H new ATOM 422 N ALA A 26 11.466 12.025 -0.676 1.00 1.00 N ATOM 423 CA ALA A 26 11.127 13.383 -0.146 1.00 1.00 C ATOM 424 C ALA A 26 9.750 13.376 0.531 1.00 1.00 C ATOM 425 O ALA A 26 9.455 14.223 1.351 1.00 1.00 O ATOM 426 CB ALA A 26 11.111 14.383 -1.304 1.00 1.00 C ATOM 0 H ALA A 26 10.814 11.655 -1.368 1.00 1.00 H new ATOM 0 HA ALA A 26 11.877 13.668 0.592 1.00 1.00 H new ATOM 0 HB1 ALA A 26 10.865 15.375 -0.925 1.00 1.00 H new ATOM 0 HB2 ALA A 26 12.093 14.409 -1.776 1.00 1.00 H new ATOM 0 HB3 ALA A 26 10.364 14.079 -2.037 1.00 1.00 H new ATOM 432 N LEU A 27 8.892 12.451 0.185 1.00 1.00 N ATOM 433 CA LEU A 27 7.533 12.435 0.806 1.00 1.00 C ATOM 434 C LEU A 27 7.558 11.672 2.137 1.00 1.00 C ATOM 435 O LEU A 27 6.575 11.635 2.852 1.00 1.00 O ATOM 436 CB LEU A 27 6.532 11.787 -0.169 1.00 1.00 C ATOM 437 CG LEU A 27 6.497 10.256 0.014 1.00 1.00 C ATOM 438 CD1 LEU A 27 5.555 9.868 1.171 1.00 1.00 C ATOM 439 CD2 LEU A 27 5.998 9.605 -1.282 1.00 1.00 C ATOM 0 H LEU A 27 9.071 11.712 -0.495 1.00 1.00 H new ATOM 0 HA LEU A 27 7.221 13.459 1.011 1.00 1.00 H new ATOM 0 HB2 LEU A 27 5.537 12.200 -0.003 1.00 1.00 H new ATOM 0 HB3 LEU A 27 6.810 12.028 -1.195 1.00 1.00 H new ATOM 0 HG LEU A 27 7.503 9.908 0.249 1.00 1.00 H new ATOM 0 HD11 LEU A 27 5.544 8.784 1.284 1.00 1.00 H new ATOM 0 HD12 LEU A 27 5.907 10.325 2.096 1.00 1.00 H new ATOM 0 HD13 LEU A 27 4.547 10.220 0.953 1.00 1.00 H new ATOM 0 HD21 LEU A 27 5.971 8.522 -1.158 1.00 1.00 H new ATOM 0 HD22 LEU A 27 4.996 9.969 -1.510 1.00 1.00 H new ATOM 0 HD23 LEU A 27 6.672 9.860 -2.100 1.00 1.00 H new ATOM 451 N PHE A 28 8.668 11.074 2.485 1.00 1.00 N ATOM 452 CA PHE A 28 8.744 10.323 3.778 1.00 1.00 C ATOM 453 C PHE A 28 9.846 10.926 4.657 1.00 1.00 C ATOM 454 O PHE A 28 9.623 11.240 5.807 1.00 1.00 O ATOM 455 CB PHE A 28 9.061 8.846 3.496 1.00 1.00 C ATOM 456 CG PHE A 28 7.779 8.044 3.397 1.00 1.00 C ATOM 457 CD1 PHE A 28 6.892 7.996 4.482 1.00 1.00 C ATOM 458 CD2 PHE A 28 7.479 7.346 2.221 1.00 1.00 C ATOM 459 CE1 PHE A 28 5.710 7.252 4.388 1.00 1.00 C ATOM 460 CE2 PHE A 28 6.297 6.602 2.128 1.00 1.00 C ATOM 461 CZ PHE A 28 5.412 6.555 3.211 1.00 1.00 C ATOM 0 H PHE A 28 9.525 11.072 1.932 1.00 1.00 H new ATOM 0 HA PHE A 28 7.788 10.395 4.296 1.00 1.00 H new ATOM 0 HB2 PHE A 28 9.625 8.759 2.568 1.00 1.00 H new ATOM 0 HB3 PHE A 28 9.690 8.444 4.290 1.00 1.00 H new ATOM 0 HD1 PHE A 28 7.121 8.533 5.391 1.00 1.00 H new ATOM 0 HD2 PHE A 28 8.161 7.382 1.384 1.00 1.00 H new ATOM 0 HE1 PHE A 28 5.027 7.216 5.224 1.00 1.00 H new ATOM 0 HE2 PHE A 28 6.068 6.064 1.220 1.00 1.00 H new ATOM 0 HZ PHE A 28 4.500 5.981 3.139 1.00 1.00 H new ATOM 471 N ASP A 29 11.028 11.089 4.119 1.00 1.00 N ATOM 472 CA ASP A 29 12.163 11.673 4.905 1.00 1.00 C ATOM 473 C ASP A 29 12.898 10.565 5.671 1.00 1.00 C ATOM 474 O ASP A 29 13.352 10.760 6.781 1.00 1.00 O ATOM 475 CB ASP A 29 11.643 12.729 5.894 1.00 1.00 C ATOM 476 CG ASP A 29 12.738 13.763 6.164 1.00 1.00 C ATOM 477 OD1 ASP A 29 13.835 13.359 6.514 1.00 1.00 O ATOM 478 OD2 ASP A 29 12.461 14.943 6.017 1.00 1.00 O ATOM 0 H ASP A 29 11.260 10.840 3.157 1.00 1.00 H new ATOM 0 HA ASP A 29 12.855 12.150 4.211 1.00 1.00 H new ATOM 0 HB2 ASP A 29 10.759 13.219 5.487 1.00 1.00 H new ATOM 0 HB3 ASP A 29 11.342 12.251 6.826 1.00 1.00 H new ATOM 483 N CYS A 30 13.035 9.411 5.075 1.00 1.00 N ATOM 484 CA CYS A 30 13.760 8.290 5.747 1.00 1.00 C ATOM 485 C CYS A 30 13.139 7.981 7.113 1.00 1.00 C ATOM 486 O CYS A 30 13.718 8.266 8.143 1.00 1.00 O ATOM 487 CB CYS A 30 15.230 8.676 5.936 1.00 1.00 C ATOM 488 SG CYS A 30 16.135 7.282 6.655 1.00 1.00 S ATOM 0 H CYS A 30 12.674 9.194 4.146 1.00 1.00 H new ATOM 0 HA CYS A 30 13.683 7.402 5.120 1.00 1.00 H new ATOM 0 HB2 CYS A 30 15.670 8.953 4.978 1.00 1.00 H new ATOM 0 HB3 CYS A 30 15.307 9.547 6.586 1.00 1.00 H new ATOM 493 N LYS A 31 11.974 7.390 7.138 1.00 1.00 N ATOM 494 CA LYS A 31 11.338 7.055 8.446 1.00 1.00 C ATOM 495 C LYS A 31 11.968 5.775 9.005 1.00 1.00 C ATOM 496 O LYS A 31 13.171 5.604 8.987 1.00 1.00 O ATOM 497 CB LYS A 31 9.835 6.828 8.252 1.00 1.00 C ATOM 498 CG LYS A 31 9.223 7.976 7.443 1.00 1.00 C ATOM 499 CD LYS A 31 9.431 9.319 8.157 1.00 1.00 C ATOM 500 CE LYS A 31 8.926 9.237 9.601 1.00 1.00 C ATOM 501 NZ LYS A 31 8.599 10.606 10.090 1.00 1.00 N ATOM 0 H LYS A 31 11.437 7.125 6.312 1.00 1.00 H new ATOM 0 HA LYS A 31 11.494 7.881 9.140 1.00 1.00 H new ATOM 0 HB2 LYS A 31 9.667 5.882 7.738 1.00 1.00 H new ATOM 0 HB3 LYS A 31 9.343 6.755 9.222 1.00 1.00 H new ATOM 0 HG2 LYS A 31 9.677 8.011 6.453 1.00 1.00 H new ATOM 0 HG3 LYS A 31 8.158 7.797 7.299 1.00 1.00 H new ATOM 0 HD2 LYS A 31 10.489 9.583 8.149 1.00 1.00 H new ATOM 0 HD3 LYS A 31 8.901 10.108 7.623 1.00 1.00 H new ATOM 0 HE2 LYS A 31 8.043 8.600 9.653 1.00 1.00 H new ATOM 0 HE3 LYS A 31 9.685 8.783 10.238 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 8.256 10.552 11.070 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 9.452 11.200 10.054 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 7.861 11.023 9.488 1.00 1.00 H new ATOM 515 N LYS A 32 11.159 4.874 9.502 1.00 1.00 N ATOM 516 CA LYS A 32 11.699 3.600 10.066 1.00 1.00 C ATOM 517 C LYS A 32 10.820 2.427 9.620 1.00 1.00 C ATOM 518 O LYS A 32 11.287 1.318 9.457 1.00 1.00 O ATOM 519 CB LYS A 32 11.702 3.679 11.594 1.00 1.00 C ATOM 520 CG LYS A 32 10.266 3.827 12.102 1.00 1.00 C ATOM 521 CD LYS A 32 10.282 4.144 13.599 1.00 1.00 C ATOM 522 CE LYS A 32 10.891 2.969 14.369 1.00 1.00 C ATOM 523 NZ LYS A 32 10.477 3.046 15.800 1.00 1.00 N ATOM 0 H LYS A 32 10.144 4.966 9.541 1.00 1.00 H new ATOM 0 HA LYS A 32 12.717 3.449 9.706 1.00 1.00 H new ATOM 0 HB2 LYS A 32 12.157 2.782 12.014 1.00 1.00 H new ATOM 0 HB3 LYS A 32 12.304 4.526 11.924 1.00 1.00 H new ATOM 0 HG2 LYS A 32 9.757 4.622 11.557 1.00 1.00 H new ATOM 0 HG3 LYS A 32 9.709 2.908 11.920 1.00 1.00 H new ATOM 0 HD2 LYS A 32 10.860 5.050 13.783 1.00 1.00 H new ATOM 0 HD3 LYS A 32 9.268 4.336 13.951 1.00 1.00 H new ATOM 0 HE2 LYS A 32 10.562 2.025 13.934 1.00 1.00 H new ATOM 0 HE3 LYS A 32 11.978 2.994 14.292 1.00 1.00 H new ATOM 0 HZ1 LYS A 32 10.890 2.248 16.324 1.00 1.00 H new ATOM 0 HZ2 LYS A 32 10.812 3.941 16.211 1.00 1.00 H new ATOM 0 HZ3 LYS A 32 9.440 3.003 15.864 1.00 1.00 H new ATOM 537 N THR A 33 9.550 2.665 9.419 1.00 1.00 N ATOM 538 CA THR A 33 8.635 1.571 8.981 1.00 1.00 C ATOM 539 C THR A 33 7.788 2.068 7.809 1.00 1.00 C ATOM 540 O THR A 33 7.333 3.194 7.798 1.00 1.00 O ATOM 541 CB THR A 33 7.718 1.176 10.141 1.00 1.00 C ATOM 542 OG1 THR A 33 6.921 0.064 9.755 1.00 1.00 O ATOM 543 CG2 THR A 33 6.814 2.354 10.504 1.00 1.00 C ATOM 0 H THR A 33 9.106 3.575 9.540 1.00 1.00 H new ATOM 0 HA THR A 33 9.220 0.704 8.672 1.00 1.00 H new ATOM 0 HB THR A 33 8.323 0.907 11.007 1.00 1.00 H new ATOM 0 HG1 THR A 33 6.334 -0.191 10.497 1.00 1.00 H new ATOM 0 HG21 THR A 33 6.162 2.071 11.330 1.00 1.00 H new ATOM 0 HG22 THR A 33 7.427 3.205 10.801 1.00 1.00 H new ATOM 0 HG23 THR A 33 6.208 2.627 9.640 1.00 1.00 H new ATOM 551 N ASN A 34 7.577 1.246 6.818 1.00 1.00 N ATOM 552 CA ASN A 34 6.764 1.689 5.649 1.00 1.00 C ATOM 553 C ASN A 34 6.045 0.490 5.028 1.00 1.00 C ATOM 554 O ASN A 34 6.521 -0.627 5.076 1.00 1.00 O ATOM 555 CB ASN A 34 7.687 2.323 4.605 1.00 1.00 C ATOM 556 CG ASN A 34 6.878 3.255 3.698 1.00 1.00 C ATOM 557 OD1 ASN A 34 7.181 4.425 3.586 1.00 1.00 O ATOM 558 ND2 ASN A 34 5.854 2.780 3.042 1.00 1.00 N ATOM 0 H ASN A 34 7.930 0.291 6.766 1.00 1.00 H new ATOM 0 HA ASN A 34 6.024 2.417 5.981 1.00 1.00 H new ATOM 0 HB2 ASN A 34 8.482 2.881 5.100 1.00 1.00 H new ATOM 0 HB3 ASN A 34 8.166 1.546 4.009 1.00 1.00 H new ATOM 0 HD21 ASN A 34 5.309 3.392 2.435 1.00 1.00 H new ATOM 0 HD22 ASN A 34 5.600 1.797 3.136 1.00 1.00 H new ATOM 565 N THR A 35 4.900 0.720 4.442 1.00 1.00 N ATOM 566 CA THR A 35 4.140 -0.398 3.811 1.00 1.00 C ATOM 567 C THR A 35 3.529 0.083 2.494 1.00 1.00 C ATOM 568 O THR A 35 3.238 1.250 2.322 1.00 1.00 O ATOM 569 CB THR A 35 3.024 -0.849 4.756 1.00 1.00 C ATOM 570 OG1 THR A 35 3.596 -1.356 5.954 1.00 1.00 O ATOM 571 CG2 THR A 35 2.191 -1.942 4.083 1.00 1.00 C ATOM 0 H THR A 35 4.457 1.636 4.373 1.00 1.00 H new ATOM 0 HA THR A 35 4.813 -1.233 3.616 1.00 1.00 H new ATOM 0 HB THR A 35 2.382 -0.000 4.990 1.00 1.00 H new ATOM 0 HG1 THR A 35 2.882 -1.644 6.561 1.00 1.00 H new ATOM 0 HG21 THR A 35 1.397 -2.262 4.758 1.00 1.00 H new ATOM 0 HG22 THR A 35 1.752 -1.551 3.165 1.00 1.00 H new ATOM 0 HG23 THR A 35 2.830 -2.793 3.846 1.00 1.00 H new ATOM 579 N PHE A 36 3.315 -0.812 1.569 1.00 1.00 N ATOM 580 CA PHE A 36 2.702 -0.412 0.265 1.00 1.00 C ATOM 581 C PHE A 36 1.957 -1.621 -0.303 1.00 1.00 C ATOM 582 O PHE A 36 1.949 -2.674 0.295 1.00 1.00 O ATOM 583 CB PHE A 36 3.778 0.031 -0.742 1.00 1.00 C ATOM 584 CG PHE A 36 5.014 0.534 -0.033 1.00 1.00 C ATOM 585 CD1 PHE A 36 5.784 -0.341 0.739 1.00 1.00 C ATOM 586 CD2 PHE A 36 5.401 1.873 -0.165 1.00 1.00 C ATOM 587 CE1 PHE A 36 6.937 0.120 1.380 1.00 1.00 C ATOM 588 CE2 PHE A 36 6.556 2.335 0.475 1.00 1.00 C ATOM 589 CZ PHE A 36 7.325 1.459 1.247 1.00 1.00 C ATOM 0 H PHE A 36 3.537 -1.804 1.657 1.00 1.00 H new ATOM 0 HA PHE A 36 2.025 0.426 0.432 1.00 1.00 H new ATOM 0 HB2 PHE A 36 4.041 -0.806 -1.389 1.00 1.00 H new ATOM 0 HB3 PHE A 36 3.378 0.816 -1.384 1.00 1.00 H new ATOM 0 HD1 PHE A 36 5.487 -1.375 0.840 1.00 1.00 H new ATOM 0 HD2 PHE A 36 4.807 2.550 -0.761 1.00 1.00 H new ATOM 0 HE1 PHE A 36 7.529 -0.557 1.978 1.00 1.00 H new ATOM 0 HE2 PHE A 36 6.854 3.368 0.373 1.00 1.00 H new ATOM 0 HZ PHE A 36 8.217 1.815 1.740 1.00 1.00 H new ATOM 599 N ILE A 37 1.330 -1.483 -1.445 1.00 1.00 N ATOM 600 CA ILE A 37 0.586 -2.633 -2.037 1.00 1.00 C ATOM 601 C ILE A 37 1.061 -2.869 -3.470 1.00 1.00 C ATOM 602 O ILE A 37 1.216 -1.942 -4.249 1.00 1.00 O ATOM 603 CB ILE A 37 -0.916 -2.326 -2.033 1.00 1.00 C ATOM 604 CG1 ILE A 37 -1.361 -1.914 -0.617 1.00 1.00 C ATOM 605 CG2 ILE A 37 -1.691 -3.572 -2.469 1.00 1.00 C ATOM 606 CD1 ILE A 37 -2.640 -1.071 -0.687 1.00 1.00 C ATOM 0 H ILE A 37 1.302 -0.622 -1.992 1.00 1.00 H new ATOM 0 HA ILE A 37 0.773 -3.529 -1.446 1.00 1.00 H new ATOM 0 HB ILE A 37 -1.118 -1.508 -2.725 1.00 1.00 H new ATOM 0 HG12 ILE A 37 -1.535 -2.802 -0.010 1.00 1.00 H new ATOM 0 HG13 ILE A 37 -0.569 -1.346 -0.130 1.00 1.00 H new ATOM 0 HG21 ILE A 37 -2.759 -3.355 -2.467 1.00 1.00 H new ATOM 0 HG22 ILE A 37 -1.381 -3.860 -3.474 1.00 1.00 H new ATOM 0 HG23 ILE A 37 -1.485 -4.389 -1.778 1.00 1.00 H new ATOM 0 HD11 ILE A 37 -2.944 -0.786 0.320 1.00 1.00 H new ATOM 0 HD12 ILE A 37 -2.452 -0.174 -1.277 1.00 1.00 H new ATOM 0 HD13 ILE A 37 -3.434 -1.653 -1.155 1.00 1.00 H new ATOM 618 N TYR A 38 1.300 -4.108 -3.824 1.00 1.00 N ATOM 619 CA TYR A 38 1.765 -4.410 -5.210 1.00 1.00 C ATOM 620 C TYR A 38 0.558 -4.771 -6.079 1.00 1.00 C ATOM 621 O TYR A 38 0.093 -5.893 -6.075 1.00 1.00 O ATOM 622 CB TYR A 38 2.738 -5.591 -5.183 1.00 1.00 C ATOM 623 CG TYR A 38 3.139 -5.948 -6.596 1.00 1.00 C ATOM 624 CD1 TYR A 38 3.814 -5.014 -7.391 1.00 1.00 C ATOM 625 CD2 TYR A 38 2.834 -7.216 -7.112 1.00 1.00 C ATOM 626 CE1 TYR A 38 4.182 -5.344 -8.701 1.00 1.00 C ATOM 627 CE2 TYR A 38 3.204 -7.545 -8.422 1.00 1.00 C ATOM 628 CZ TYR A 38 3.877 -6.610 -9.216 1.00 1.00 C ATOM 629 OH TYR A 38 4.242 -6.935 -10.506 1.00 1.00 O ATOM 0 H TYR A 38 1.193 -4.919 -3.215 1.00 1.00 H new ATOM 0 HA TYR A 38 2.269 -3.535 -5.621 1.00 1.00 H new ATOM 0 HB2 TYR A 38 3.621 -5.335 -4.597 1.00 1.00 H new ATOM 0 HB3 TYR A 38 2.272 -6.449 -4.699 1.00 1.00 H new ATOM 0 HD1 TYR A 38 4.051 -4.038 -6.994 1.00 1.00 H new ATOM 0 HD2 TYR A 38 2.314 -7.938 -6.500 1.00 1.00 H new ATOM 0 HE1 TYR A 38 4.701 -4.622 -9.314 1.00 1.00 H new ATOM 0 HE2 TYR A 38 2.970 -8.521 -8.820 1.00 1.00 H new ATOM 0 HH TYR A 38 3.957 -7.851 -10.706 1.00 1.00 H new ATOM 639 N ALA A 39 0.047 -3.829 -6.825 1.00 1.00 N ATOM 640 CA ALA A 39 -1.131 -4.125 -7.692 1.00 1.00 C ATOM 641 C ALA A 39 -1.197 -3.107 -8.832 1.00 1.00 C ATOM 642 O ALA A 39 -0.712 -1.998 -8.716 1.00 1.00 O ATOM 643 CB ALA A 39 -2.412 -4.040 -6.859 1.00 1.00 C ATOM 0 H ALA A 39 0.392 -2.870 -6.872 1.00 1.00 H new ATOM 0 HA ALA A 39 -1.032 -5.128 -8.107 1.00 1.00 H new ATOM 0 HB1 ALA A 39 -3.273 -4.256 -7.492 1.00 1.00 H new ATOM 0 HB2 ALA A 39 -2.367 -4.766 -6.047 1.00 1.00 H new ATOM 0 HB3 ALA A 39 -2.510 -3.037 -6.444 1.00 1.00 H new ATOM 649 N LEU A 40 -1.795 -3.473 -9.935 1.00 1.00 N ATOM 650 CA LEU A 40 -1.892 -2.525 -11.080 1.00 1.00 C ATOM 651 C LEU A 40 -3.091 -1.583 -10.849 1.00 1.00 C ATOM 652 O LEU A 40 -4.085 -1.974 -10.271 1.00 1.00 O ATOM 653 CB LEU A 40 -2.025 -3.330 -12.385 1.00 1.00 C ATOM 654 CG LEU A 40 -3.495 -3.600 -12.723 1.00 1.00 C ATOM 655 CD1 LEU A 40 -4.025 -2.467 -13.599 1.00 1.00 C ATOM 656 CD2 LEU A 40 -3.610 -4.924 -13.487 1.00 1.00 C ATOM 0 H LEU A 40 -2.220 -4.387 -10.091 1.00 1.00 H new ATOM 0 HA LEU A 40 -0.996 -1.910 -11.159 1.00 1.00 H new ATOM 0 HB2 LEU A 40 -1.556 -2.782 -13.202 1.00 1.00 H new ATOM 0 HB3 LEU A 40 -1.492 -4.276 -12.288 1.00 1.00 H new ATOM 0 HG LEU A 40 -4.076 -3.659 -11.803 1.00 1.00 H new ATOM 0 HD11 LEU A 40 -5.071 -2.654 -13.843 1.00 1.00 H new ATOM 0 HD12 LEU A 40 -3.941 -1.522 -13.062 1.00 1.00 H new ATOM 0 HD13 LEU A 40 -3.442 -2.415 -14.519 1.00 1.00 H new ATOM 0 HD21 LEU A 40 -4.656 -5.116 -13.727 1.00 1.00 H new ATOM 0 HD22 LEU A 40 -3.031 -4.864 -14.409 1.00 1.00 H new ATOM 0 HD23 LEU A 40 -3.225 -5.735 -12.869 1.00 1.00 H new ATOM 668 N PRO A 41 -2.985 -0.339 -11.264 1.00 1.00 N ATOM 669 CA PRO A 41 -4.067 0.673 -11.060 1.00 1.00 C ATOM 670 C PRO A 41 -5.467 0.170 -11.436 1.00 1.00 C ATOM 671 O PRO A 41 -6.384 0.211 -10.641 1.00 1.00 O ATOM 672 CB PRO A 41 -3.677 1.826 -11.991 1.00 1.00 C ATOM 673 CG PRO A 41 -2.207 1.694 -12.225 1.00 1.00 C ATOM 674 CD PRO A 41 -1.825 0.233 -11.968 1.00 1.00 C ATOM 0 HA PRO A 41 -4.137 0.942 -10.006 1.00 1.00 H new ATOM 0 HB2 PRO A 41 -4.227 1.771 -12.930 1.00 1.00 H new ATOM 0 HB3 PRO A 41 -3.914 2.789 -11.539 1.00 1.00 H new ATOM 0 HG2 PRO A 41 -1.955 1.982 -13.246 1.00 1.00 H new ATOM 0 HG3 PRO A 41 -1.653 2.357 -11.561 1.00 1.00 H new ATOM 0 HD2 PRO A 41 -1.629 -0.295 -12.901 1.00 1.00 H new ATOM 0 HD3 PRO A 41 -0.920 0.161 -11.364 1.00 1.00 H new ATOM 682 N GLY A 42 -5.642 -0.289 -12.643 1.00 1.00 N ATOM 683 CA GLY A 42 -6.991 -0.772 -13.068 1.00 1.00 C ATOM 684 C GLY A 42 -7.565 -1.719 -12.014 1.00 1.00 C ATOM 685 O GLY A 42 -8.695 -1.584 -11.599 1.00 1.00 O ATOM 0 H GLY A 42 -4.913 -0.352 -13.354 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -7.661 0.076 -13.210 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -6.917 -1.284 -14.027 1.00 1.00 H new ATOM 689 N ARG A 43 -6.798 -2.677 -11.580 1.00 1.00 N ATOM 690 CA ARG A 43 -7.293 -3.638 -10.558 1.00 1.00 C ATOM 691 C ARG A 43 -7.637 -2.891 -9.265 1.00 1.00 C ATOM 692 O ARG A 43 -8.497 -3.304 -8.511 1.00 1.00 O ATOM 693 CB ARG A 43 -6.201 -4.673 -10.273 1.00 1.00 C ATOM 694 CG ARG A 43 -6.772 -5.815 -9.423 1.00 1.00 C ATOM 695 CD ARG A 43 -7.403 -6.875 -10.331 1.00 1.00 C ATOM 696 NE ARG A 43 -7.899 -8.008 -9.498 1.00 1.00 N ATOM 697 CZ ARG A 43 -8.828 -8.800 -9.961 1.00 1.00 C ATOM 698 NH1 ARG A 43 -9.324 -8.602 -11.151 1.00 1.00 N ATOM 699 NH2 ARG A 43 -9.262 -9.791 -9.231 1.00 1.00 N ATOM 0 H ARG A 43 -5.840 -2.837 -11.892 1.00 1.00 H new ATOM 0 HA ARG A 43 -8.188 -4.136 -10.931 1.00 1.00 H new ATOM 0 HB2 ARG A 43 -5.808 -5.067 -11.210 1.00 1.00 H new ATOM 0 HB3 ARG A 43 -5.368 -4.201 -9.751 1.00 1.00 H new ATOM 0 HG2 ARG A 43 -5.981 -6.263 -8.822 1.00 1.00 H new ATOM 0 HG3 ARG A 43 -7.518 -5.426 -8.730 1.00 1.00 H new ATOM 0 HD2 ARG A 43 -8.225 -6.440 -10.900 1.00 1.00 H new ATOM 0 HD3 ARG A 43 -6.670 -7.234 -11.054 1.00 1.00 H new ATOM 0 HE ARG A 43 -7.513 -8.164 -8.567 1.00 1.00 H new ATOM 0 HH11 ARG A 43 -8.986 -7.827 -11.722 1.00 1.00 H new ATOM 0 HH12 ARG A 43 -10.050 -9.222 -11.511 1.00 1.00 H new ATOM 0 HH21 ARG A 43 -8.875 -9.946 -8.300 1.00 1.00 H new ATOM 0 HH22 ARG A 43 -9.988 -10.410 -9.592 1.00 1.00 H new ATOM 713 N VAL A 44 -6.973 -1.798 -8.995 1.00 1.00 N ATOM 714 CA VAL A 44 -7.265 -1.043 -7.744 1.00 1.00 C ATOM 715 C VAL A 44 -8.575 -0.268 -7.901 1.00 1.00 C ATOM 716 O VAL A 44 -9.507 -0.453 -7.144 1.00 1.00 O ATOM 717 CB VAL A 44 -6.122 -0.067 -7.455 1.00 1.00 C ATOM 718 CG1 VAL A 44 -6.401 0.670 -6.141 1.00 1.00 C ATOM 719 CG2 VAL A 44 -4.805 -0.841 -7.337 1.00 1.00 C ATOM 0 H VAL A 44 -6.244 -1.398 -9.585 1.00 1.00 H new ATOM 0 HA VAL A 44 -7.360 -1.744 -6.915 1.00 1.00 H new ATOM 0 HB VAL A 44 -6.046 0.655 -8.268 1.00 1.00 H new ATOM 0 HG11 VAL A 44 -5.588 1.365 -5.934 1.00 1.00 H new ATOM 0 HG12 VAL A 44 -7.337 1.222 -6.225 1.00 1.00 H new ATOM 0 HG13 VAL A 44 -6.477 -0.052 -5.328 1.00 1.00 H new ATOM 0 HG21 VAL A 44 -3.991 -0.145 -7.131 1.00 1.00 H new ATOM 0 HG22 VAL A 44 -4.879 -1.563 -6.524 1.00 1.00 H new ATOM 0 HG23 VAL A 44 -4.606 -1.366 -8.272 1.00 1.00 H new ATOM 729 N LYS A 45 -8.660 0.592 -8.879 1.00 1.00 N ATOM 730 CA LYS A 45 -9.922 1.361 -9.072 1.00 1.00 C ATOM 731 C LYS A 45 -11.040 0.376 -9.416 1.00 1.00 C ATOM 732 O LYS A 45 -12.212 0.666 -9.277 1.00 1.00 O ATOM 733 CB LYS A 45 -9.748 2.375 -10.213 1.00 1.00 C ATOM 734 CG LYS A 45 -8.260 2.683 -10.413 1.00 1.00 C ATOM 735 CD LYS A 45 -8.100 4.052 -11.070 1.00 1.00 C ATOM 736 CE LYS A 45 -8.920 4.101 -12.361 1.00 1.00 C ATOM 737 NZ LYS A 45 -8.518 5.293 -13.161 1.00 1.00 N ATOM 0 H LYS A 45 -7.917 0.794 -9.548 1.00 1.00 H new ATOM 0 HA LYS A 45 -10.171 1.905 -8.161 1.00 1.00 H new ATOM 0 HB2 LYS A 45 -10.173 1.976 -11.134 1.00 1.00 H new ATOM 0 HB3 LYS A 45 -10.291 3.292 -9.983 1.00 1.00 H new ATOM 0 HG2 LYS A 45 -7.744 2.667 -9.453 1.00 1.00 H new ATOM 0 HG3 LYS A 45 -7.800 1.915 -11.035 1.00 1.00 H new ATOM 0 HD2 LYS A 45 -8.431 4.835 -10.387 1.00 1.00 H new ATOM 0 HD3 LYS A 45 -7.049 4.242 -11.288 1.00 1.00 H new ATOM 0 HE2 LYS A 45 -8.761 3.191 -12.940 1.00 1.00 H new ATOM 0 HE3 LYS A 45 -9.984 4.149 -12.127 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 -9.075 5.326 -14.038 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 -8.691 6.157 -12.608 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 -7.507 5.229 -13.395 1.00 1.00 H new ATOM 751 N ALA A 46 -10.673 -0.790 -9.866 1.00 1.00 N ATOM 752 CA ALA A 46 -11.686 -1.817 -10.230 1.00 1.00 C ATOM 753 C ALA A 46 -12.070 -2.613 -8.980 1.00 1.00 C ATOM 754 O ALA A 46 -13.109 -3.241 -8.927 1.00 1.00 O ATOM 755 CB ALA A 46 -11.084 -2.764 -11.272 1.00 1.00 C ATOM 0 H ALA A 46 -9.704 -1.078 -9.998 1.00 1.00 H new ATOM 0 HA ALA A 46 -12.573 -1.334 -10.640 1.00 1.00 H new ATOM 0 HB1 ALA A 46 -11.820 -3.520 -11.545 1.00 1.00 H new ATOM 0 HB2 ALA A 46 -10.801 -2.197 -12.159 1.00 1.00 H new ATOM 0 HB3 ALA A 46 -10.202 -3.250 -10.855 1.00 1.00 H new ATOM 761 N LEU A 47 -11.236 -2.596 -7.975 1.00 1.00 N ATOM 762 CA LEU A 47 -11.551 -3.355 -6.732 1.00 1.00 C ATOM 763 C LEU A 47 -12.574 -2.576 -5.899 1.00 1.00 C ATOM 764 O LEU A 47 -12.989 -3.021 -4.846 1.00 1.00 O ATOM 765 CB LEU A 47 -10.265 -3.556 -5.913 1.00 1.00 C ATOM 766 CG LEU A 47 -9.598 -4.886 -6.299 1.00 1.00 C ATOM 767 CD1 LEU A 47 -8.108 -4.833 -5.951 1.00 1.00 C ATOM 768 CD2 LEU A 47 -10.254 -6.036 -5.525 1.00 1.00 C ATOM 0 H LEU A 47 -10.351 -2.089 -7.962 1.00 1.00 H new ATOM 0 HA LEU A 47 -11.967 -4.327 -6.997 1.00 1.00 H new ATOM 0 HB2 LEU A 47 -9.577 -2.729 -6.092 1.00 1.00 H new ATOM 0 HB3 LEU A 47 -10.498 -3.552 -4.848 1.00 1.00 H new ATOM 0 HG LEU A 47 -9.719 -5.049 -7.370 1.00 1.00 H new ATOM 0 HD11 LEU A 47 -7.637 -5.777 -6.225 1.00 1.00 H new ATOM 0 HD12 LEU A 47 -7.635 -4.018 -6.499 1.00 1.00 H new ATOM 0 HD13 LEU A 47 -7.990 -4.666 -4.880 1.00 1.00 H new ATOM 0 HD21 LEU A 47 -9.779 -6.978 -5.801 1.00 1.00 H new ATOM 0 HD22 LEU A 47 -10.134 -5.869 -4.455 1.00 1.00 H new ATOM 0 HD23 LEU A 47 -11.315 -6.080 -5.769 1.00 1.00 H new ATOM 780 N CYS A 48 -12.985 -1.420 -6.356 1.00 1.00 N ATOM 781 CA CYS A 48 -13.985 -0.621 -5.584 1.00 1.00 C ATOM 782 C CYS A 48 -15.180 -0.294 -6.480 1.00 1.00 C ATOM 783 O CYS A 48 -16.113 0.367 -6.069 1.00 1.00 O ATOM 784 CB CYS A 48 -13.344 0.684 -5.098 1.00 1.00 C ATOM 785 SG CYS A 48 -14.350 1.375 -3.762 1.00 1.00 S ATOM 0 H CYS A 48 -12.672 -0.995 -7.229 1.00 1.00 H new ATOM 0 HA CYS A 48 -14.319 -1.202 -4.724 1.00 1.00 H new ATOM 0 HB2 CYS A 48 -12.329 0.497 -4.747 1.00 1.00 H new ATOM 0 HB3 CYS A 48 -13.270 1.396 -5.920 1.00 1.00 H new ATOM 790 N LYS A 49 -15.159 -0.749 -7.701 1.00 1.00 N ATOM 791 CA LYS A 49 -16.293 -0.460 -8.620 1.00 1.00 C ATOM 792 C LYS A 49 -17.572 -1.113 -8.087 1.00 1.00 C ATOM 793 O LYS A 49 -17.540 -2.185 -7.519 1.00 1.00 O ATOM 794 CB LYS A 49 -15.971 -1.020 -10.009 1.00 1.00 C ATOM 795 CG LYS A 49 -15.972 -2.549 -9.961 1.00 1.00 C ATOM 796 CD LYS A 49 -15.292 -3.101 -11.216 1.00 1.00 C ATOM 797 CE LYS A 49 -15.532 -4.609 -11.307 1.00 1.00 C ATOM 798 NZ LYS A 49 -15.405 -5.214 -9.951 1.00 1.00 N ATOM 0 H LYS A 49 -14.406 -1.308 -8.102 1.00 1.00 H new ATOM 0 HA LYS A 49 -16.443 0.618 -8.684 1.00 1.00 H new ATOM 0 HB2 LYS A 49 -16.706 -0.669 -10.733 1.00 1.00 H new ATOM 0 HB3 LYS A 49 -14.998 -0.658 -10.341 1.00 1.00 H new ATOM 0 HG2 LYS A 49 -15.449 -2.896 -9.069 1.00 1.00 H new ATOM 0 HG3 LYS A 49 -16.995 -2.920 -9.896 1.00 1.00 H new ATOM 0 HD2 LYS A 49 -15.686 -2.605 -12.103 1.00 1.00 H new ATOM 0 HD3 LYS A 49 -14.222 -2.894 -11.184 1.00 1.00 H new ATOM 0 HE2 LYS A 49 -16.524 -4.806 -11.714 1.00 1.00 H new ATOM 0 HE3 LYS A 49 -14.812 -5.062 -11.988 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 -15.229 -6.235 -10.041 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 -14.612 -4.769 -9.445 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 -16.285 -5.061 -9.419 1.00 1.00 H new ATOM 812 N ASN A 50 -18.695 -0.472 -8.275 1.00 1.00 N ATOM 813 CA ASN A 50 -19.987 -1.044 -7.794 1.00 1.00 C ATOM 814 C ASN A 50 -20.120 -0.847 -6.278 1.00 1.00 C ATOM 815 O ASN A 50 -21.149 -1.132 -5.700 1.00 1.00 O ATOM 816 CB ASN A 50 -20.047 -2.542 -8.127 1.00 1.00 C ATOM 817 CG ASN A 50 -21.502 -2.963 -8.346 1.00 1.00 C ATOM 818 OD1 ASN A 50 -21.769 -3.952 -9.001 1.00 1.00 O ATOM 819 ND2 ASN A 50 -22.462 -2.252 -7.822 1.00 1.00 N ATOM 0 H ASN A 50 -18.773 0.430 -8.745 1.00 1.00 H new ATOM 0 HA ASN A 50 -20.808 -0.529 -8.292 1.00 1.00 H new ATOM 0 HB2 ASN A 50 -19.460 -2.750 -9.021 1.00 1.00 H new ATOM 0 HB3 ASN A 50 -19.608 -3.123 -7.316 1.00 1.00 H new ATOM 0 HD21 ASN A 50 -23.434 -2.526 -7.962 1.00 1.00 H new ATOM 0 HD22 ASN A 50 -22.240 -1.422 -7.272 1.00 1.00 H new ATOM 826 N ILE A 51 -19.096 -0.364 -5.629 1.00 1.00 N ATOM 827 CA ILE A 51 -19.186 -0.158 -4.156 1.00 1.00 C ATOM 828 C ILE A 51 -19.957 1.130 -3.868 1.00 1.00 C ATOM 829 O ILE A 51 -20.311 1.871 -4.764 1.00 1.00 O ATOM 830 CB ILE A 51 -17.776 -0.060 -3.561 1.00 1.00 C ATOM 831 CG1 ILE A 51 -17.017 -1.374 -3.797 1.00 1.00 C ATOM 832 CG2 ILE A 51 -17.860 0.216 -2.058 1.00 1.00 C ATOM 833 CD1 ILE A 51 -17.812 -2.558 -3.234 1.00 1.00 C ATOM 0 H ILE A 51 -18.205 -0.104 -6.053 1.00 1.00 H new ATOM 0 HA ILE A 51 -19.708 -1.001 -3.704 1.00 1.00 H new ATOM 0 HB ILE A 51 -17.245 0.758 -4.048 1.00 1.00 H new ATOM 0 HG12 ILE A 51 -16.847 -1.517 -4.864 1.00 1.00 H new ATOM 0 HG13 ILE A 51 -16.037 -1.326 -3.321 1.00 1.00 H new ATOM 0 HG21 ILE A 51 -16.854 0.284 -1.644 1.00 1.00 H new ATOM 0 HG22 ILE A 51 -18.386 1.156 -1.889 1.00 1.00 H new ATOM 0 HG23 ILE A 51 -18.400 -0.595 -1.569 1.00 1.00 H new ATOM 0 HD11 ILE A 51 -17.261 -3.482 -3.409 1.00 1.00 H new ATOM 0 HD12 ILE A 51 -17.960 -2.421 -2.163 1.00 1.00 H new ATOM 0 HD13 ILE A 51 -18.781 -2.614 -3.730 1.00 1.00 H new ATOM 845 N ARG A 52 -20.225 1.395 -2.620 1.00 1.00 N ATOM 846 CA ARG A 52 -20.981 2.628 -2.257 1.00 1.00 C ATOM 847 C ARG A 52 -20.004 3.751 -1.900 1.00 1.00 C ATOM 848 O ARG A 52 -18.844 3.719 -2.258 1.00 1.00 O ATOM 849 CB ARG A 52 -21.878 2.338 -1.051 1.00 1.00 C ATOM 850 CG ARG A 52 -22.776 1.133 -1.356 1.00 1.00 C ATOM 851 CD ARG A 52 -23.785 1.498 -2.448 1.00 1.00 C ATOM 852 NE ARG A 52 -24.946 0.564 -2.380 1.00 1.00 N ATOM 853 CZ ARG A 52 -26.093 0.908 -2.900 1.00 1.00 C ATOM 854 NH1 ARG A 52 -26.224 2.069 -3.482 1.00 1.00 N ATOM 855 NH2 ARG A 52 -27.107 0.090 -2.840 1.00 1.00 N ATOM 0 H ARG A 52 -19.952 0.808 -1.831 1.00 1.00 H new ATOM 0 HA ARG A 52 -21.591 2.937 -3.106 1.00 1.00 H new ATOM 0 HB2 ARG A 52 -21.267 2.136 -0.171 1.00 1.00 H new ATOM 0 HB3 ARG A 52 -22.489 3.211 -0.821 1.00 1.00 H new ATOM 0 HG2 ARG A 52 -22.168 0.288 -1.678 1.00 1.00 H new ATOM 0 HG3 ARG A 52 -23.301 0.822 -0.453 1.00 1.00 H new ATOM 0 HD2 ARG A 52 -24.123 2.526 -2.318 1.00 1.00 H new ATOM 0 HD3 ARG A 52 -23.313 1.439 -3.429 1.00 1.00 H new ATOM 0 HE ARG A 52 -24.844 -0.344 -1.927 1.00 1.00 H new ATOM 0 HH11 ARG A 52 -25.430 2.708 -3.531 1.00 1.00 H new ATOM 0 HH12 ARG A 52 -27.120 2.338 -3.888 1.00 1.00 H new ATOM 0 HH21 ARG A 52 -27.004 -0.818 -2.387 1.00 1.00 H new ATOM 0 HH22 ARG A 52 -28.003 0.358 -3.246 1.00 1.00 H new ATOM 869 N ASP A 53 -20.473 4.745 -1.197 1.00 1.00 N ATOM 870 CA ASP A 53 -19.590 5.884 -0.810 1.00 1.00 C ATOM 871 C ASP A 53 -18.512 5.416 0.156 1.00 1.00 C ATOM 872 O ASP A 53 -18.003 4.317 0.070 1.00 1.00 O ATOM 873 CB ASP A 53 -20.434 6.969 -0.139 1.00 1.00 C ATOM 874 CG ASP A 53 -21.674 7.252 -0.989 1.00 1.00 C ATOM 875 OD1 ASP A 53 -21.810 6.628 -2.028 1.00 1.00 O ATOM 876 OD2 ASP A 53 -22.466 8.087 -0.586 1.00 1.00 O ATOM 0 H ASP A 53 -21.437 4.818 -0.871 1.00 1.00 H new ATOM 0 HA ASP A 53 -19.112 6.282 -1.705 1.00 1.00 H new ATOM 0 HB2 ASP A 53 -20.730 6.648 0.860 1.00 1.00 H new ATOM 0 HB3 ASP A 53 -19.847 7.879 -0.020 1.00 1.00 H new ATOM 881 N ASN A 54 -18.152 6.270 1.061 1.00 1.00 N ATOM 882 CA ASN A 54 -17.086 5.929 2.042 1.00 1.00 C ATOM 883 C ASN A 54 -17.543 4.772 2.931 1.00 1.00 C ATOM 884 O ASN A 54 -18.474 4.892 3.703 1.00 1.00 O ATOM 885 CB ASN A 54 -16.792 7.151 2.915 1.00 1.00 C ATOM 886 CG ASN A 54 -18.105 7.730 3.444 1.00 1.00 C ATOM 887 OD1 ASN A 54 -18.109 8.739 4.121 1.00 1.00 O ATOM 888 ND2 ASN A 54 -19.228 7.129 3.163 1.00 1.00 N ATOM 0 H ASN A 54 -18.553 7.202 1.168 1.00 1.00 H new ATOM 0 HA ASN A 54 -16.186 5.633 1.503 1.00 1.00 H new ATOM 0 HB2 ASN A 54 -16.146 6.870 3.746 1.00 1.00 H new ATOM 0 HB3 ASN A 54 -16.257 7.904 2.336 1.00 1.00 H new ATOM 0 HD21 ASN A 54 -20.109 7.506 3.512 1.00 1.00 H new ATOM 0 HD22 ASN A 54 -19.225 6.282 2.595 1.00 1.00 H new ATOM 895 N THR A 55 -16.882 3.651 2.825 1.00 1.00 N ATOM 896 CA THR A 55 -17.251 2.472 3.658 1.00 1.00 C ATOM 897 C THR A 55 -15.995 1.632 3.900 1.00 1.00 C ATOM 898 O THR A 55 -14.997 1.786 3.226 1.00 1.00 O ATOM 899 CB THR A 55 -18.305 1.633 2.924 1.00 1.00 C ATOM 900 OG1 THR A 55 -19.073 2.476 2.079 1.00 1.00 O ATOM 901 CG2 THR A 55 -19.226 0.953 3.941 1.00 1.00 C ATOM 0 H THR A 55 -16.096 3.501 2.192 1.00 1.00 H new ATOM 0 HA THR A 55 -17.664 2.802 4.611 1.00 1.00 H new ATOM 0 HB THR A 55 -17.807 0.871 2.325 1.00 1.00 H new ATOM 0 HG1 THR A 55 -19.746 1.942 1.608 1.00 1.00 H new ATOM 0 HG21 THR A 55 -19.973 0.358 3.415 1.00 1.00 H new ATOM 0 HG22 THR A 55 -18.637 0.304 4.589 1.00 1.00 H new ATOM 0 HG23 THR A 55 -19.725 1.712 4.544 1.00 1.00 H new ATOM 909 N ASP A 56 -16.029 0.752 4.861 1.00 1.00 N ATOM 910 CA ASP A 56 -14.828 -0.086 5.149 1.00 1.00 C ATOM 911 C ASP A 56 -14.917 -1.411 4.388 1.00 1.00 C ATOM 912 O ASP A 56 -15.772 -2.233 4.652 1.00 1.00 O ATOM 913 CB ASP A 56 -14.754 -0.369 6.650 1.00 1.00 C ATOM 914 CG ASP A 56 -15.058 0.914 7.428 1.00 1.00 C ATOM 915 OD1 ASP A 56 -14.946 1.978 6.843 1.00 1.00 O ATOM 916 OD2 ASP A 56 -15.397 0.809 8.594 1.00 1.00 O ATOM 0 H ASP A 56 -16.835 0.576 5.460 1.00 1.00 H new ATOM 0 HA ASP A 56 -13.935 0.451 4.829 1.00 1.00 H new ATOM 0 HB2 ASP A 56 -15.467 -1.148 6.919 1.00 1.00 H new ATOM 0 HB3 ASP A 56 -13.763 -0.740 6.912 1.00 1.00 H new ATOM 921 N VAL A 57 -14.024 -1.630 3.455 1.00 1.00 N ATOM 922 CA VAL A 57 -14.037 -2.909 2.682 1.00 1.00 C ATOM 923 C VAL A 57 -12.816 -3.741 3.082 1.00 1.00 C ATOM 924 O VAL A 57 -12.022 -3.337 3.909 1.00 1.00 O ATOM 925 CB VAL A 57 -13.993 -2.613 1.180 1.00 1.00 C ATOM 926 CG1 VAL A 57 -15.314 -1.974 0.747 1.00 1.00 C ATOM 927 CG2 VAL A 57 -12.843 -1.654 0.874 1.00 1.00 C ATOM 0 H VAL A 57 -13.285 -0.976 3.195 1.00 1.00 H new ATOM 0 HA VAL A 57 -14.950 -3.462 2.903 1.00 1.00 H new ATOM 0 HB VAL A 57 -13.840 -3.545 0.636 1.00 1.00 H new ATOM 0 HG11 VAL A 57 -15.283 -1.763 -0.322 1.00 1.00 H new ATOM 0 HG12 VAL A 57 -16.136 -2.658 0.958 1.00 1.00 H new ATOM 0 HG13 VAL A 57 -15.466 -1.045 1.296 1.00 1.00 H new ATOM 0 HG21 VAL A 57 -12.817 -1.447 -0.196 1.00 1.00 H new ATOM 0 HG22 VAL A 57 -12.991 -0.722 1.420 1.00 1.00 H new ATOM 0 HG23 VAL A 57 -11.900 -2.108 1.179 1.00 1.00 H new ATOM 937 N LEU A 58 -12.668 -4.909 2.520 1.00 1.00 N ATOM 938 CA LEU A 58 -11.508 -5.771 2.889 1.00 1.00 C ATOM 939 C LEU A 58 -11.248 -6.773 1.762 1.00 1.00 C ATOM 940 O LEU A 58 -12.169 -7.284 1.157 1.00 1.00 O ATOM 941 CB LEU A 58 -11.858 -6.505 4.192 1.00 1.00 C ATOM 942 CG LEU A 58 -10.842 -7.609 4.503 1.00 1.00 C ATOM 943 CD1 LEU A 58 -9.427 -7.037 4.529 1.00 1.00 C ATOM 944 CD2 LEU A 58 -11.155 -8.192 5.878 1.00 1.00 C ATOM 0 H LEU A 58 -13.299 -5.304 1.822 1.00 1.00 H new ATOM 0 HA LEU A 58 -10.608 -5.174 3.035 1.00 1.00 H new ATOM 0 HB2 LEU A 58 -11.887 -5.792 5.016 1.00 1.00 H new ATOM 0 HB3 LEU A 58 -12.855 -6.938 4.111 1.00 1.00 H new ATOM 0 HG LEU A 58 -10.905 -8.377 3.732 1.00 1.00 H new ATOM 0 HD11 LEU A 58 -8.717 -7.833 4.751 1.00 1.00 H new ATOM 0 HD12 LEU A 58 -9.192 -6.602 3.557 1.00 1.00 H new ATOM 0 HD13 LEU A 58 -9.360 -6.266 5.297 1.00 1.00 H new ATOM 0 HD21 LEU A 58 -10.438 -8.979 6.111 1.00 1.00 H new ATOM 0 HD22 LEU A 58 -11.088 -7.406 6.630 1.00 1.00 H new ATOM 0 HD23 LEU A 58 -12.163 -8.608 5.876 1.00 1.00 H new ATOM 956 N SER A 59 -10.006 -7.058 1.458 1.00 1.00 N ATOM 957 CA SER A 59 -9.731 -8.020 0.355 1.00 1.00 C ATOM 958 C SER A 59 -10.478 -9.329 0.630 1.00 1.00 C ATOM 959 O SER A 59 -10.737 -9.684 1.762 1.00 1.00 O ATOM 960 CB SER A 59 -8.227 -8.285 0.259 1.00 1.00 C ATOM 961 OG SER A 59 -8.010 -9.603 -0.227 1.00 1.00 O ATOM 0 H SER A 59 -9.183 -6.671 1.920 1.00 1.00 H new ATOM 0 HA SER A 59 -10.074 -7.599 -0.590 1.00 1.00 H new ATOM 0 HB2 SER A 59 -7.760 -7.559 -0.406 1.00 1.00 H new ATOM 0 HB3 SER A 59 -7.762 -8.165 1.238 1.00 1.00 H new ATOM 0 HG SER A 59 -7.299 -9.590 -0.901 1.00 1.00 H new ATOM 967 N ARG A 60 -10.853 -10.036 -0.403 1.00 1.00 N ATOM 968 CA ARG A 60 -11.607 -11.309 -0.207 1.00 1.00 C ATOM 969 C ARG A 60 -10.633 -12.479 -0.057 1.00 1.00 C ATOM 970 O ARG A 60 -11.033 -13.623 0.020 1.00 1.00 O ATOM 971 CB ARG A 60 -12.513 -11.549 -1.421 1.00 1.00 C ATOM 972 CG ARG A 60 -13.647 -12.503 -1.037 1.00 1.00 C ATOM 973 CD ARG A 60 -14.579 -12.696 -2.234 1.00 1.00 C ATOM 974 NE ARG A 60 -15.173 -11.384 -2.618 1.00 1.00 N ATOM 975 CZ ARG A 60 -16.176 -10.897 -1.939 1.00 1.00 C ATOM 976 NH1 ARG A 60 -16.659 -11.560 -0.924 1.00 1.00 N ATOM 977 NH2 ARG A 60 -16.695 -9.749 -2.274 1.00 1.00 N ATOM 0 H ARG A 60 -10.670 -9.787 -1.375 1.00 1.00 H new ATOM 0 HA ARG A 60 -12.211 -11.234 0.697 1.00 1.00 H new ATOM 0 HB2 ARG A 60 -12.924 -10.603 -1.773 1.00 1.00 H new ATOM 0 HB3 ARG A 60 -11.933 -11.970 -2.242 1.00 1.00 H new ATOM 0 HG2 ARG A 60 -13.238 -13.463 -0.723 1.00 1.00 H new ATOM 0 HG3 ARG A 60 -14.204 -12.101 -0.190 1.00 1.00 H new ATOM 0 HD2 ARG A 60 -14.027 -13.117 -3.074 1.00 1.00 H new ATOM 0 HD3 ARG A 60 -15.368 -13.405 -1.984 1.00 1.00 H new ATOM 0 HE ARG A 60 -14.796 -10.866 -3.412 1.00 1.00 H new ATOM 0 HH11 ARG A 60 -16.253 -12.458 -0.662 1.00 1.00 H new ATOM 0 HH12 ARG A 60 -17.443 -11.180 -0.393 1.00 1.00 H new ATOM 0 HH21 ARG A 60 -16.317 -9.231 -3.067 1.00 1.00 H new ATOM 0 HH22 ARG A 60 -17.479 -9.369 -1.743 1.00 1.00 H new ATOM 991 N ASP A 61 -9.359 -12.207 -0.010 1.00 1.00 N ATOM 992 CA ASP A 61 -8.373 -13.315 0.138 1.00 1.00 C ATOM 993 C ASP A 61 -7.046 -12.758 0.646 1.00 1.00 C ATOM 994 O ASP A 61 -6.816 -12.673 1.836 1.00 1.00 O ATOM 995 CB ASP A 61 -8.157 -13.995 -1.217 1.00 1.00 C ATOM 996 CG ASP A 61 -9.361 -14.880 -1.544 1.00 1.00 C ATOM 997 OD1 ASP A 61 -9.448 -15.960 -0.982 1.00 1.00 O ATOM 998 OD2 ASP A 61 -10.176 -14.463 -2.351 1.00 1.00 O ATOM 0 H ASP A 61 -8.959 -11.271 -0.067 1.00 1.00 H new ATOM 0 HA ASP A 61 -8.756 -14.044 0.852 1.00 1.00 H new ATOM 0 HB2 ASP A 61 -8.023 -13.244 -1.995 1.00 1.00 H new ATOM 0 HB3 ASP A 61 -7.247 -14.595 -1.193 1.00 1.00 H new ATOM 1003 N ALA A 62 -6.168 -12.381 -0.240 1.00 1.00 N ATOM 1004 CA ALA A 62 -4.859 -11.838 0.214 1.00 1.00 C ATOM 1005 C ALA A 62 -4.238 -10.972 -0.881 1.00 1.00 C ATOM 1006 O ALA A 62 -4.716 -10.915 -1.996 1.00 1.00 O ATOM 1007 CB ALA A 62 -3.918 -12.998 0.542 1.00 1.00 C ATOM 0 H ALA A 62 -6.298 -12.425 -1.251 1.00 1.00 H new ATOM 0 HA ALA A 62 -5.015 -11.226 1.102 1.00 1.00 H new ATOM 0 HB1 ALA A 62 -2.958 -12.604 0.875 1.00 1.00 H new ATOM 0 HB2 ALA A 62 -4.354 -13.608 1.333 1.00 1.00 H new ATOM 0 HB3 ALA A 62 -3.770 -13.610 -0.348 1.00 1.00 H new ATOM 1013 N PHE A 63 -3.165 -10.298 -0.564 1.00 1.00 N ATOM 1014 CA PHE A 63 -2.492 -9.432 -1.570 1.00 1.00 C ATOM 1015 C PHE A 63 -1.009 -9.324 -1.212 1.00 1.00 C ATOM 1016 O PHE A 63 -0.648 -9.175 -0.062 1.00 1.00 O ATOM 1017 CB PHE A 63 -3.132 -8.038 -1.558 1.00 1.00 C ATOM 1018 CG PHE A 63 -4.345 -8.029 -2.459 1.00 1.00 C ATOM 1019 CD1 PHE A 63 -5.587 -8.450 -1.969 1.00 1.00 C ATOM 1020 CD2 PHE A 63 -4.226 -7.600 -3.787 1.00 1.00 C ATOM 1021 CE1 PHE A 63 -6.709 -8.443 -2.806 1.00 1.00 C ATOM 1022 CE2 PHE A 63 -5.348 -7.592 -4.624 1.00 1.00 C ATOM 1023 CZ PHE A 63 -6.590 -8.014 -4.133 1.00 1.00 C ATOM 0 H PHE A 63 -2.724 -10.312 0.356 1.00 1.00 H new ATOM 0 HA PHE A 63 -2.601 -9.863 -2.565 1.00 1.00 H new ATOM 0 HB2 PHE A 63 -3.419 -7.767 -0.542 1.00 1.00 H new ATOM 0 HB3 PHE A 63 -2.411 -7.293 -1.894 1.00 1.00 H new ATOM 0 HD1 PHE A 63 -5.680 -8.780 -0.945 1.00 1.00 H new ATOM 0 HD2 PHE A 63 -3.268 -7.275 -4.165 1.00 1.00 H new ATOM 0 HE1 PHE A 63 -7.667 -8.769 -2.428 1.00 1.00 H new ATOM 0 HE2 PHE A 63 -5.256 -7.261 -5.648 1.00 1.00 H new ATOM 0 HZ PHE A 63 -7.456 -8.008 -4.778 1.00 1.00 H new ATOM 1033 N LEU A 64 -0.147 -9.405 -2.189 1.00 1.00 N ATOM 1034 CA LEU A 64 1.314 -9.316 -1.910 1.00 1.00 C ATOM 1035 C LEU A 64 1.713 -7.852 -1.738 1.00 1.00 C ATOM 1036 O LEU A 64 1.687 -7.082 -2.677 1.00 1.00 O ATOM 1037 CB LEU A 64 2.085 -9.916 -3.089 1.00 1.00 C ATOM 1038 CG LEU A 64 3.525 -10.243 -2.671 1.00 1.00 C ATOM 1039 CD1 LEU A 64 4.145 -11.200 -3.692 1.00 1.00 C ATOM 1040 CD2 LEU A 64 4.360 -8.955 -2.613 1.00 1.00 C ATOM 0 H LEU A 64 -0.393 -9.529 -3.171 1.00 1.00 H new ATOM 0 HA LEU A 64 1.547 -9.864 -0.997 1.00 1.00 H new ATOM 0 HB2 LEU A 64 1.586 -10.820 -3.437 1.00 1.00 H new ATOM 0 HB3 LEU A 64 2.091 -9.214 -3.923 1.00 1.00 H new ATOM 0 HG LEU A 64 3.514 -10.709 -1.686 1.00 1.00 H new ATOM 0 HD11 LEU A 64 5.168 -11.434 -3.397 1.00 1.00 H new ATOM 0 HD12 LEU A 64 3.560 -12.119 -3.732 1.00 1.00 H new ATOM 0 HD13 LEU A 64 4.149 -10.730 -4.675 1.00 1.00 H new ATOM 0 HD21 LEU A 64 5.381 -9.196 -2.316 1.00 1.00 H new ATOM 0 HD22 LEU A 64 4.370 -8.483 -3.596 1.00 1.00 H new ATOM 0 HD23 LEU A 64 3.923 -8.270 -1.887 1.00 1.00 H new ATOM 1052 N LEU A 65 2.085 -7.453 -0.548 1.00 1.00 N ATOM 1053 CA LEU A 65 2.491 -6.033 -0.337 1.00 1.00 C ATOM 1054 C LEU A 65 3.930 -5.969 0.189 1.00 1.00 C ATOM 1055 O LEU A 65 4.291 -6.682 1.104 1.00 1.00 O ATOM 1056 CB LEU A 65 1.575 -5.343 0.688 1.00 1.00 C ATOM 1057 CG LEU A 65 0.566 -6.318 1.283 1.00 1.00 C ATOM 1058 CD1 LEU A 65 0.089 -5.751 2.622 1.00 1.00 C ATOM 1059 CD2 LEU A 65 -0.624 -6.455 0.327 1.00 1.00 C ATOM 0 H LEU A 65 2.125 -8.046 0.281 1.00 1.00 H new ATOM 0 HA LEU A 65 2.413 -5.523 -1.297 1.00 1.00 H new ATOM 0 HB2 LEU A 65 2.180 -4.912 1.486 1.00 1.00 H new ATOM 0 HB3 LEU A 65 1.047 -4.519 0.208 1.00 1.00 H new ATOM 0 HG LEU A 65 1.019 -7.298 1.431 1.00 1.00 H new ATOM 0 HD11 LEU A 65 -0.635 -6.432 3.068 1.00 1.00 H new ATOM 0 HD12 LEU A 65 0.941 -5.636 3.293 1.00 1.00 H new ATOM 0 HD13 LEU A 65 -0.378 -4.780 2.460 1.00 1.00 H new ATOM 0 HD21 LEU A 65 -1.350 -7.151 0.747 1.00 1.00 H new ATOM 0 HD22 LEU A 65 -1.094 -5.481 0.189 1.00 1.00 H new ATOM 0 HD23 LEU A 65 -0.276 -6.830 -0.636 1.00 1.00 H new ATOM 1071 N PRO A 66 4.731 -5.086 -0.351 1.00 1.00 N ATOM 1072 CA PRO A 66 6.131 -4.893 0.111 1.00 1.00 C ATOM 1073 C PRO A 66 6.144 -4.128 1.437 1.00 1.00 C ATOM 1074 O PRO A 66 5.241 -3.365 1.720 1.00 1.00 O ATOM 1075 CB PRO A 66 6.780 -4.073 -1.007 1.00 1.00 C ATOM 1076 CG PRO A 66 5.656 -3.357 -1.684 1.00 1.00 C ATOM 1077 CD PRO A 66 4.390 -4.182 -1.459 1.00 1.00 C ATOM 0 HA PRO A 66 6.658 -5.830 0.292 1.00 1.00 H new ATOM 0 HB2 PRO A 66 7.508 -3.368 -0.605 1.00 1.00 H new ATOM 0 HB3 PRO A 66 7.313 -4.717 -1.707 1.00 1.00 H new ATOM 0 HG2 PRO A 66 5.538 -2.353 -1.275 1.00 1.00 H new ATOM 0 HG3 PRO A 66 5.858 -3.246 -2.749 1.00 1.00 H new ATOM 0 HD2 PRO A 66 3.542 -3.546 -1.206 1.00 1.00 H new ATOM 0 HD3 PRO A 66 4.115 -4.739 -2.355 1.00 1.00 H new ATOM 1085 N GLN A 67 7.132 -4.327 2.267 1.00 1.00 N ATOM 1086 CA GLN A 67 7.147 -3.599 3.569 1.00 1.00 C ATOM 1087 C GLN A 67 8.583 -3.275 3.980 1.00 1.00 C ATOM 1088 O GLN A 67 9.456 -4.119 3.951 1.00 1.00 O ATOM 1089 CB GLN A 67 6.492 -4.466 4.648 1.00 1.00 C ATOM 1090 CG GLN A 67 6.101 -3.592 5.841 1.00 1.00 C ATOM 1091 CD GLN A 67 5.792 -4.480 7.048 1.00 1.00 C ATOM 1092 OE1 GLN A 67 6.548 -4.518 7.999 1.00 1.00 O ATOM 1093 NE2 GLN A 67 4.706 -5.203 7.050 1.00 1.00 N ATOM 0 H GLN A 67 7.920 -4.954 2.104 1.00 1.00 H new ATOM 0 HA GLN A 67 6.592 -2.667 3.458 1.00 1.00 H new ATOM 0 HB2 GLN A 67 5.610 -4.963 4.244 1.00 1.00 H new ATOM 0 HB3 GLN A 67 7.180 -5.248 4.968 1.00 1.00 H new ATOM 0 HG2 GLN A 67 6.911 -2.903 6.081 1.00 1.00 H new ATOM 0 HG3 GLN A 67 5.231 -2.985 5.591 1.00 1.00 H new ATOM 0 HE21 GLN A 67 4.071 -5.172 6.252 1.00 1.00 H new ATOM 0 HE22 GLN A 67 4.492 -5.800 7.849 1.00 1.00 H new ATOM 1102 N CYS A 68 8.829 -2.055 4.373 1.00 1.00 N ATOM 1103 CA CYS A 68 10.206 -1.667 4.801 1.00 1.00 C ATOM 1104 C CYS A 68 10.334 -1.833 6.316 1.00 1.00 C ATOM 1105 O CYS A 68 9.490 -1.386 7.069 1.00 1.00 O ATOM 1106 CB CYS A 68 10.457 -0.205 4.434 1.00 1.00 C ATOM 1107 SG CYS A 68 9.983 0.073 2.712 1.00 1.00 S ATOM 0 H CYS A 68 8.136 -1.308 4.417 1.00 1.00 H new ATOM 0 HA CYS A 68 10.935 -2.303 4.299 1.00 1.00 H new ATOM 0 HB2 CYS A 68 9.884 0.450 5.091 1.00 1.00 H new ATOM 0 HB3 CYS A 68 11.509 0.042 4.577 1.00 1.00 H new ATOM 1112 N ASP A 69 11.383 -2.472 6.772 1.00 1.00 N ATOM 1113 CA ASP A 69 11.564 -2.667 8.244 1.00 1.00 C ATOM 1114 C ASP A 69 12.961 -2.199 8.666 1.00 1.00 C ATOM 1115 O ASP A 69 13.961 -2.756 8.261 1.00 1.00 O ATOM 1116 CB ASP A 69 11.404 -4.151 8.580 1.00 1.00 C ATOM 1117 CG ASP A 69 11.388 -4.333 10.100 1.00 1.00 C ATOM 1118 OD1 ASP A 69 12.457 -4.334 10.687 1.00 1.00 O ATOM 1119 OD2 ASP A 69 10.306 -4.467 10.649 1.00 1.00 O ATOM 0 H ASP A 69 12.121 -2.867 6.189 1.00 1.00 H new ATOM 0 HA ASP A 69 10.814 -2.083 8.778 1.00 1.00 H new ATOM 0 HB2 ASP A 69 10.480 -4.535 8.148 1.00 1.00 H new ATOM 0 HB3 ASP A 69 12.222 -4.724 8.143 1.00 1.00 H new ATOM 1124 N ARG A 70 13.036 -1.182 9.485 1.00 1.00 N ATOM 1125 CA ARG A 70 14.366 -0.681 9.938 1.00 1.00 C ATOM 1126 C ARG A 70 14.942 -1.643 10.980 1.00 1.00 C ATOM 1127 O ARG A 70 14.254 -2.079 11.882 1.00 1.00 O ATOM 1128 CB ARG A 70 14.204 0.706 10.563 1.00 1.00 C ATOM 1129 CG ARG A 70 15.576 1.375 10.692 1.00 1.00 C ATOM 1130 CD ARG A 70 15.484 2.592 11.622 1.00 1.00 C ATOM 1131 NE ARG A 70 16.004 2.226 12.973 1.00 1.00 N ATOM 1132 CZ ARG A 70 15.191 1.800 13.905 1.00 1.00 C ATOM 1133 NH1 ARG A 70 13.913 1.687 13.665 1.00 1.00 N ATOM 1134 NH2 ARG A 70 15.661 1.484 15.081 1.00 1.00 N ATOM 0 H ARG A 70 12.233 -0.677 9.859 1.00 1.00 H new ATOM 0 HA ARG A 70 15.041 -0.618 9.084 1.00 1.00 H new ATOM 0 HB2 ARG A 70 13.546 1.319 9.947 1.00 1.00 H new ATOM 0 HB3 ARG A 70 13.736 0.622 11.544 1.00 1.00 H new ATOM 0 HG2 ARG A 70 16.301 0.662 11.084 1.00 1.00 H new ATOM 0 HG3 ARG A 70 15.932 1.685 9.709 1.00 1.00 H new ATOM 0 HD2 ARG A 70 16.060 3.421 11.211 1.00 1.00 H new ATOM 0 HD3 ARG A 70 14.450 2.928 11.697 1.00 1.00 H new ATOM 0 HE ARG A 70 17.001 2.309 13.171 1.00 1.00 H new ATOM 0 HH11 ARG A 70 13.543 1.931 12.746 1.00 1.00 H new ATOM 0 HH12 ARG A 70 13.284 1.354 14.396 1.00 1.00 H new ATOM 0 HH21 ARG A 70 16.659 1.570 15.271 1.00 1.00 H new ATOM 0 HH22 ARG A 70 15.030 1.152 15.810 1.00 1.00 H new ATOM 1148 N ILE A 71 16.198 -1.981 10.862 1.00 1.00 N ATOM 1149 CA ILE A 71 16.815 -2.918 11.846 1.00 1.00 C ATOM 1150 C ILE A 71 18.286 -2.551 12.056 1.00 1.00 C ATOM 1151 O ILE A 71 18.803 -2.635 13.152 1.00 1.00 O ATOM 1152 CB ILE A 71 16.723 -4.349 11.313 1.00 1.00 C ATOM 1153 CG1 ILE A 71 15.286 -4.638 10.865 1.00 1.00 C ATOM 1154 CG2 ILE A 71 17.118 -5.331 12.419 1.00 1.00 C ATOM 1155 CD1 ILE A 71 15.147 -6.119 10.505 1.00 1.00 C ATOM 0 H ILE A 71 16.823 -1.649 10.128 1.00 1.00 H new ATOM 0 HA ILE A 71 16.284 -2.844 12.795 1.00 1.00 H new ATOM 0 HB ILE A 71 17.398 -4.464 10.465 1.00 1.00 H new ATOM 0 HG12 ILE A 71 14.588 -4.380 11.661 1.00 1.00 H new ATOM 0 HG13 ILE A 71 15.031 -4.019 10.005 1.00 1.00 H new ATOM 0 HG21 ILE A 71 17.053 -6.351 12.040 1.00 1.00 H new ATOM 0 HG22 ILE A 71 18.140 -5.127 12.739 1.00 1.00 H new ATOM 0 HG23 ILE A 71 16.443 -5.215 13.267 1.00 1.00 H new ATOM 0 HD11 ILE A 71 14.124 -6.322 10.187 1.00 1.00 H new ATOM 0 HD12 ILE A 71 15.834 -6.363 9.695 1.00 1.00 H new ATOM 0 HD13 ILE A 71 15.383 -6.729 11.377 1.00 1.00 H new ATOM 1167 N LYS A 72 18.966 -2.155 11.012 1.00 1.00 N ATOM 1168 CA LYS A 72 20.411 -1.793 11.148 1.00 1.00 C ATOM 1169 C LYS A 72 20.661 -0.411 10.539 1.00 1.00 C ATOM 1170 O LYS A 72 19.787 0.184 9.939 1.00 1.00 O ATOM 1171 CB LYS A 72 21.261 -2.833 10.413 1.00 1.00 C ATOM 1172 CG LYS A 72 20.596 -3.186 9.080 1.00 1.00 C ATOM 1173 CD LYS A 72 21.583 -3.965 8.206 1.00 1.00 C ATOM 1174 CE LYS A 72 21.971 -5.269 8.908 1.00 1.00 C ATOM 1175 NZ LYS A 72 22.536 -6.220 7.909 1.00 1.00 N ATOM 0 H LYS A 72 18.584 -2.066 10.070 1.00 1.00 H new ATOM 0 HA LYS A 72 20.681 -1.773 12.204 1.00 1.00 H new ATOM 0 HB2 LYS A 72 22.263 -2.442 10.239 1.00 1.00 H new ATOM 0 HB3 LYS A 72 21.370 -3.728 11.026 1.00 1.00 H new ATOM 0 HG2 LYS A 72 19.700 -3.782 9.255 1.00 1.00 H new ATOM 0 HG3 LYS A 72 20.279 -2.277 8.568 1.00 1.00 H new ATOM 0 HD2 LYS A 72 21.134 -4.182 7.237 1.00 1.00 H new ATOM 0 HD3 LYS A 72 22.472 -3.363 8.018 1.00 1.00 H new ATOM 0 HE2 LYS A 72 22.703 -5.070 9.691 1.00 1.00 H new ATOM 0 HE3 LYS A 72 21.098 -5.708 9.392 1.00 1.00 H new ATOM 0 HZ1 LYS A 72 22.800 -7.107 8.384 1.00 1.00 H new ATOM 0 HZ2 LYS A 72 21.824 -6.418 7.177 1.00 1.00 H new ATOM 0 HZ3 LYS A 72 23.379 -5.800 7.467 1.00 1.00 H new ATOM 1189 N LEU A 73 21.856 0.099 10.688 1.00 1.00 N ATOM 1190 CA LEU A 73 22.183 1.440 10.122 1.00 1.00 C ATOM 1191 C LEU A 73 21.110 2.449 10.564 1.00 1.00 C ATOM 1192 O LEU A 73 20.139 2.083 11.195 1.00 1.00 O ATOM 1193 CB LEU A 73 22.233 1.344 8.591 1.00 1.00 C ATOM 1194 CG LEU A 73 22.803 -0.018 8.179 1.00 1.00 C ATOM 1195 CD1 LEU A 73 22.967 -0.065 6.658 1.00 1.00 C ATOM 1196 CD2 LEU A 73 24.169 -0.221 8.843 1.00 1.00 C ATOM 0 H LEU A 73 22.623 -0.359 11.180 1.00 1.00 H new ATOM 0 HA LEU A 73 23.154 1.775 10.485 1.00 1.00 H new ATOM 0 HB2 LEU A 73 21.233 1.472 8.176 1.00 1.00 H new ATOM 0 HB3 LEU A 73 22.851 2.146 8.186 1.00 1.00 H new ATOM 0 HG LEU A 73 22.121 -0.807 8.496 1.00 1.00 H new ATOM 0 HD11 LEU A 73 23.372 -1.034 6.366 1.00 1.00 H new ATOM 0 HD12 LEU A 73 21.997 0.081 6.183 1.00 1.00 H new ATOM 0 HD13 LEU A 73 23.649 0.724 6.341 1.00 1.00 H new ATOM 0 HD21 LEU A 73 24.575 -1.189 8.551 1.00 1.00 H new ATOM 0 HD22 LEU A 73 24.849 0.569 8.525 1.00 1.00 H new ATOM 0 HD23 LEU A 73 24.055 -0.187 9.927 1.00 1.00 H new ATOM 1208 N PRO A 74 21.279 3.713 10.249 1.00 1.00 N ATOM 1209 CA PRO A 74 20.313 4.771 10.631 1.00 1.00 C ATOM 1210 C PRO A 74 19.253 5.015 9.553 1.00 1.00 C ATOM 1211 O PRO A 74 18.107 5.290 9.851 1.00 1.00 O ATOM 1212 CB PRO A 74 21.210 5.999 10.799 1.00 1.00 C ATOM 1213 CG PRO A 74 22.372 5.784 9.868 1.00 1.00 C ATOM 1214 CD PRO A 74 22.404 4.289 9.498 1.00 1.00 C ATOM 0 HA PRO A 74 19.742 4.511 11.522 1.00 1.00 H new ATOM 0 HB2 PRO A 74 20.672 6.914 10.550 1.00 1.00 H new ATOM 0 HB3 PRO A 74 21.548 6.099 11.830 1.00 1.00 H new ATOM 0 HG2 PRO A 74 22.264 6.397 8.973 1.00 1.00 H new ATOM 0 HG3 PRO A 74 23.306 6.080 10.347 1.00 1.00 H new ATOM 0 HD2 PRO A 74 22.285 4.141 8.425 1.00 1.00 H new ATOM 0 HD3 PRO A 74 23.350 3.828 9.781 1.00 1.00 H new ATOM 1222 N CYS A 75 19.628 4.922 8.304 1.00 1.00 N ATOM 1223 CA CYS A 75 18.646 5.154 7.204 1.00 1.00 C ATOM 1224 C CYS A 75 18.642 3.953 6.257 1.00 1.00 C ATOM 1225 O CYS A 75 18.921 4.074 5.081 1.00 1.00 O ATOM 1226 CB CYS A 75 19.044 6.414 6.433 1.00 1.00 C ATOM 1227 SG CYS A 75 17.669 6.936 5.377 1.00 1.00 S ATOM 0 H CYS A 75 20.574 4.695 7.998 1.00 1.00 H new ATOM 0 HA CYS A 75 17.649 5.282 7.625 1.00 1.00 H new ATOM 0 HB2 CYS A 75 19.305 7.211 7.129 1.00 1.00 H new ATOM 0 HB3 CYS A 75 19.928 6.218 5.826 1.00 1.00 H new ATOM 1232 N HIS A 76 18.319 2.794 6.764 1.00 1.00 N ATOM 1233 CA HIS A 76 18.284 1.577 5.903 1.00 1.00 C ATOM 1234 C HIS A 76 17.118 0.691 6.345 1.00 1.00 C ATOM 1235 O HIS A 76 16.720 0.708 7.493 1.00 1.00 O ATOM 1236 CB HIS A 76 19.597 0.807 6.048 1.00 1.00 C ATOM 1237 CG HIS A 76 19.716 -0.200 4.936 1.00 1.00 C ATOM 1238 ND1 HIS A 76 18.992 -1.385 4.929 1.00 1.00 N ATOM 1239 CD2 HIS A 76 20.470 -0.215 3.788 1.00 1.00 C ATOM 1240 CE1 HIS A 76 19.322 -2.056 3.811 1.00 1.00 C ATOM 1241 NE2 HIS A 76 20.217 -1.386 3.083 1.00 1.00 N ATOM 0 H HIS A 76 18.077 2.637 7.742 1.00 1.00 H new ATOM 0 HA HIS A 76 18.154 1.866 4.860 1.00 1.00 H new ATOM 0 HB2 HIS A 76 20.440 1.497 6.019 1.00 1.00 H new ATOM 0 HB3 HIS A 76 19.630 0.303 7.014 1.00 1.00 H new ATOM 0 HD2 HIS A 76 21.154 0.563 3.481 1.00 1.00 H new ATOM 0 HE1 HIS A 76 18.913 -3.017 3.537 1.00 1.00 H new ATOM 0 HE2 HIS A 76 20.629 -1.673 2.195 1.00 1.00 H new ATOM 1250 N TYR A 77 16.561 -0.076 5.447 1.00 1.00 N ATOM 1251 CA TYR A 77 15.413 -0.952 5.822 1.00 1.00 C ATOM 1252 C TYR A 77 15.581 -2.335 5.193 1.00 1.00 C ATOM 1253 O TYR A 77 16.380 -2.531 4.299 1.00 1.00 O ATOM 1254 CB TYR A 77 14.112 -0.317 5.325 1.00 1.00 C ATOM 1255 CG TYR A 77 14.216 1.184 5.437 1.00 1.00 C ATOM 1256 CD1 TYR A 77 13.951 1.816 6.658 1.00 1.00 C ATOM 1257 CD2 TYR A 77 14.582 1.947 4.321 1.00 1.00 C ATOM 1258 CE1 TYR A 77 14.053 3.207 6.763 1.00 1.00 C ATOM 1259 CE2 TYR A 77 14.682 3.338 4.426 1.00 1.00 C ATOM 1260 CZ TYR A 77 14.417 3.968 5.647 1.00 1.00 C ATOM 1261 OH TYR A 77 14.516 5.339 5.751 1.00 1.00 O ATOM 0 H TYR A 77 16.851 -0.134 4.471 1.00 1.00 H new ATOM 0 HA TYR A 77 15.381 -1.059 6.906 1.00 1.00 H new ATOM 0 HB2 TYR A 77 13.926 -0.604 4.290 1.00 1.00 H new ATOM 0 HB3 TYR A 77 13.269 -0.680 5.913 1.00 1.00 H new ATOM 0 HD1 TYR A 77 13.668 1.229 7.519 1.00 1.00 H new ATOM 0 HD2 TYR A 77 14.787 1.461 3.379 1.00 1.00 H new ATOM 0 HE1 TYR A 77 13.851 3.694 7.706 1.00 1.00 H new ATOM 0 HE2 TYR A 77 14.964 3.926 3.565 1.00 1.00 H new ATOM 0 HH TYR A 77 15.440 5.585 5.966 1.00 1.00 H new ATOM 1271 N LYS A 78 14.823 -3.293 5.655 1.00 1.00 N ATOM 1272 CA LYS A 78 14.916 -4.670 5.093 1.00 1.00 C ATOM 1273 C LYS A 78 13.677 -4.939 4.237 1.00 1.00 C ATOM 1274 O LYS A 78 12.609 -4.419 4.498 1.00 1.00 O ATOM 1275 CB LYS A 78 14.980 -5.685 6.241 1.00 1.00 C ATOM 1276 CG LYS A 78 15.157 -7.107 5.681 1.00 1.00 C ATOM 1277 CD LYS A 78 13.820 -7.854 5.721 1.00 1.00 C ATOM 1278 CE LYS A 78 13.964 -9.196 5.004 1.00 1.00 C ATOM 1279 NZ LYS A 78 14.893 -10.072 5.773 1.00 1.00 N ATOM 0 H LYS A 78 14.139 -3.179 6.403 1.00 1.00 H new ATOM 0 HA LYS A 78 15.813 -4.763 4.481 1.00 1.00 H new ATOM 0 HB2 LYS A 78 15.809 -5.442 6.906 1.00 1.00 H new ATOM 0 HB3 LYS A 78 14.068 -5.631 6.836 1.00 1.00 H new ATOM 0 HG2 LYS A 78 15.527 -7.060 4.657 1.00 1.00 H new ATOM 0 HG3 LYS A 78 15.903 -7.647 6.265 1.00 1.00 H new ATOM 0 HD2 LYS A 78 13.511 -8.013 6.754 1.00 1.00 H new ATOM 0 HD3 LYS A 78 13.043 -7.256 5.244 1.00 1.00 H new ATOM 0 HE2 LYS A 78 12.990 -9.676 4.908 1.00 1.00 H new ATOM 0 HE3 LYS A 78 14.344 -9.042 3.994 1.00 1.00 H new ATOM 0 HZ1 LYS A 78 14.824 -11.047 5.418 1.00 1.00 H new ATOM 0 HZ2 LYS A 78 15.868 -9.730 5.658 1.00 1.00 H new ATOM 0 HZ3 LYS A 78 14.636 -10.051 6.780 1.00 1.00 H new ATOM 1293 N LEU A 79 13.814 -5.737 3.214 1.00 1.00 N ATOM 1294 CA LEU A 79 12.649 -6.032 2.334 1.00 1.00 C ATOM 1295 C LEU A 79 11.813 -7.155 2.950 1.00 1.00 C ATOM 1296 O LEU A 79 12.297 -8.241 3.196 1.00 1.00 O ATOM 1297 CB LEU A 79 13.153 -6.462 0.951 1.00 1.00 C ATOM 1298 CG LEU A 79 11.988 -6.980 0.100 1.00 1.00 C ATOM 1299 CD1 LEU A 79 10.857 -5.946 0.082 1.00 1.00 C ATOM 1300 CD2 LEU A 79 12.477 -7.221 -1.330 1.00 1.00 C ATOM 0 H LEU A 79 14.684 -6.198 2.949 1.00 1.00 H new ATOM 0 HA LEU A 79 12.032 -5.139 2.234 1.00 1.00 H new ATOM 0 HB2 LEU A 79 13.631 -5.619 0.452 1.00 1.00 H new ATOM 0 HB3 LEU A 79 13.909 -7.240 1.057 1.00 1.00 H new ATOM 0 HG LEU A 79 11.616 -7.912 0.526 1.00 1.00 H new ATOM 0 HD11 LEU A 79 10.032 -6.320 -0.524 1.00 1.00 H new ATOM 0 HD12 LEU A 79 10.509 -5.770 1.100 1.00 1.00 H new ATOM 0 HD13 LEU A 79 11.225 -5.012 -0.342 1.00 1.00 H new ATOM 0 HD21 LEU A 79 11.652 -7.590 -1.939 1.00 1.00 H new ATOM 0 HD22 LEU A 79 12.849 -6.286 -1.750 1.00 1.00 H new ATOM 0 HD23 LEU A 79 13.279 -7.959 -1.321 1.00 1.00 H new ATOM 1312 N SER A 80 10.556 -6.900 3.196 1.00 1.00 N ATOM 1313 CA SER A 80 9.679 -7.946 3.791 1.00 1.00 C ATOM 1314 C SER A 80 8.284 -7.834 3.173 1.00 1.00 C ATOM 1315 O SER A 80 7.597 -6.849 3.349 1.00 1.00 O ATOM 1316 CB SER A 80 9.590 -7.734 5.302 1.00 1.00 C ATOM 1317 OG SER A 80 8.421 -8.373 5.799 1.00 1.00 O ATOM 0 H SER A 80 10.098 -6.008 3.009 1.00 1.00 H new ATOM 0 HA SER A 80 10.091 -8.935 3.591 1.00 1.00 H new ATOM 0 HB2 SER A 80 10.476 -8.140 5.790 1.00 1.00 H new ATOM 0 HB3 SER A 80 9.561 -6.669 5.530 1.00 1.00 H new ATOM 0 HG SER A 80 8.362 -8.240 6.768 1.00 1.00 H new ATOM 1323 N SER A 81 7.865 -8.833 2.443 1.00 1.00 N ATOM 1324 CA SER A 81 6.516 -8.784 1.804 1.00 1.00 C ATOM 1325 C SER A 81 5.788 -10.107 2.040 1.00 1.00 C ATOM 1326 O SER A 81 6.397 -11.121 2.318 1.00 1.00 O ATOM 1327 CB SER A 81 6.678 -8.553 0.300 1.00 1.00 C ATOM 1328 OG SER A 81 6.774 -9.809 -0.359 1.00 1.00 O ATOM 0 H SER A 81 8.399 -9.683 2.261 1.00 1.00 H new ATOM 0 HA SER A 81 5.936 -7.971 2.240 1.00 1.00 H new ATOM 0 HB2 SER A 81 5.829 -7.990 -0.087 1.00 1.00 H new ATOM 0 HB3 SER A 81 7.570 -7.958 0.106 1.00 1.00 H new ATOM 0 HG SER A 81 7.325 -9.715 -1.164 1.00 1.00 H new ATOM 1334 N SER A 82 4.489 -10.105 1.929 1.00 1.00 N ATOM 1335 CA SER A 82 3.721 -11.363 2.144 1.00 1.00 C ATOM 1336 C SER A 82 2.308 -11.189 1.602 1.00 1.00 C ATOM 1337 O SER A 82 1.871 -10.092 1.314 1.00 1.00 O ATOM 1338 CB SER A 82 3.665 -11.685 3.637 1.00 1.00 C ATOM 1339 OG SER A 82 4.969 -11.573 4.190 1.00 1.00 O ATOM 0 H SER A 82 3.926 -9.286 1.699 1.00 1.00 H new ATOM 0 HA SER A 82 4.213 -12.183 1.621 1.00 1.00 H new ATOM 0 HB2 SER A 82 2.983 -11.002 4.143 1.00 1.00 H new ATOM 0 HB3 SER A 82 3.278 -12.693 3.789 1.00 1.00 H new ATOM 0 HG SER A 82 5.626 -11.922 3.552 1.00 1.00 H new ATOM 1345 N THR A 83 1.593 -12.268 1.446 1.00 1.00 N ATOM 1346 CA THR A 83 0.221 -12.186 0.906 1.00 1.00 C ATOM 1347 C THR A 83 -0.793 -12.304 2.046 1.00 1.00 C ATOM 1348 O THR A 83 -0.837 -13.291 2.754 1.00 1.00 O ATOM 1349 CB THR A 83 0.042 -13.336 -0.081 1.00 1.00 C ATOM 1350 OG1 THR A 83 1.005 -14.343 0.197 1.00 1.00 O ATOM 1351 CG2 THR A 83 0.241 -12.821 -1.505 1.00 1.00 C ATOM 0 H THR A 83 1.910 -13.210 1.674 1.00 1.00 H new ATOM 0 HA THR A 83 0.060 -11.231 0.406 1.00 1.00 H new ATOM 0 HB THR A 83 -0.961 -13.750 0.017 1.00 1.00 H new ATOM 0 HG1 THR A 83 0.893 -15.085 -0.433 1.00 1.00 H new ATOM 0 HG21 THR A 83 0.113 -13.642 -2.210 1.00 1.00 H new ATOM 0 HG22 THR A 83 -0.493 -12.044 -1.717 1.00 1.00 H new ATOM 0 HG23 THR A 83 1.245 -12.409 -1.606 1.00 1.00 H new ATOM 1359 N ASN A 84 -1.611 -11.304 2.226 1.00 1.00 N ATOM 1360 CA ASN A 84 -2.626 -11.358 3.317 1.00 1.00 C ATOM 1361 C ASN A 84 -3.742 -10.354 3.021 1.00 1.00 C ATOM 1362 O ASN A 84 -3.539 -9.376 2.328 1.00 1.00 O ATOM 1363 CB ASN A 84 -1.961 -11.005 4.648 1.00 1.00 C ATOM 1364 CG ASN A 84 -3.024 -10.932 5.746 1.00 1.00 C ATOM 1365 OD1 ASN A 84 -4.063 -11.554 5.645 1.00 1.00 O ATOM 1366 ND2 ASN A 84 -2.807 -10.192 6.800 1.00 1.00 N ATOM 0 H ASN A 84 -1.621 -10.452 1.665 1.00 1.00 H new ATOM 0 HA ASN A 84 -3.046 -12.362 3.377 1.00 1.00 H new ATOM 0 HB2 ASN A 84 -1.211 -11.754 4.902 1.00 1.00 H new ATOM 0 HB3 ASN A 84 -1.442 -10.050 4.565 1.00 1.00 H new ATOM 0 HD21 ASN A 84 -3.509 -10.137 7.538 1.00 1.00 H new ATOM 0 HD22 ASN A 84 -1.935 -9.670 6.886 1.00 1.00 H new ATOM 1373 N THR A 85 -4.923 -10.589 3.534 1.00 1.00 N ATOM 1374 CA THR A 85 -6.046 -9.653 3.280 1.00 1.00 C ATOM 1375 C THR A 85 -5.718 -8.301 3.919 1.00 1.00 C ATOM 1376 O THR A 85 -4.859 -8.204 4.773 1.00 1.00 O ATOM 1377 CB THR A 85 -7.317 -10.240 3.909 1.00 1.00 C ATOM 1378 OG1 THR A 85 -7.111 -11.620 4.175 1.00 1.00 O ATOM 1379 CG2 THR A 85 -8.498 -10.083 2.954 1.00 1.00 C ATOM 0 H THR A 85 -5.153 -11.393 4.119 1.00 1.00 H new ATOM 0 HA THR A 85 -6.199 -9.514 2.210 1.00 1.00 H new ATOM 0 HB THR A 85 -7.535 -9.709 4.835 1.00 1.00 H new ATOM 0 HG1 THR A 85 -7.306 -12.141 3.368 1.00 1.00 H new ATOM 0 HG21 THR A 85 -9.394 -10.503 3.411 1.00 1.00 H new ATOM 0 HG22 THR A 85 -8.659 -9.025 2.745 1.00 1.00 H new ATOM 0 HG23 THR A 85 -8.285 -10.608 2.023 1.00 1.00 H new ATOM 1387 N ILE A 86 -6.376 -7.249 3.505 1.00 1.00 N ATOM 1388 CA ILE A 86 -6.073 -5.913 4.087 1.00 1.00 C ATOM 1389 C ILE A 86 -7.347 -5.056 4.108 1.00 1.00 C ATOM 1390 O ILE A 86 -8.044 -4.929 3.115 1.00 1.00 O ATOM 1391 CB ILE A 86 -4.950 -5.239 3.258 1.00 1.00 C ATOM 1392 CG1 ILE A 86 -5.515 -4.197 2.279 1.00 1.00 C ATOM 1393 CG2 ILE A 86 -4.203 -6.301 2.447 1.00 1.00 C ATOM 1394 CD1 ILE A 86 -5.931 -2.928 3.031 1.00 1.00 C ATOM 0 H ILE A 86 -7.106 -7.259 2.793 1.00 1.00 H new ATOM 0 HA ILE A 86 -5.725 -6.020 5.114 1.00 1.00 H new ATOM 0 HB ILE A 86 -4.281 -4.739 3.958 1.00 1.00 H new ATOM 0 HG12 ILE A 86 -4.766 -3.952 1.526 1.00 1.00 H new ATOM 0 HG13 ILE A 86 -6.373 -4.612 1.751 1.00 1.00 H new ATOM 0 HG21 ILE A 86 -3.414 -5.826 1.865 1.00 1.00 H new ATOM 0 HG22 ILE A 86 -3.763 -7.033 3.124 1.00 1.00 H new ATOM 0 HG23 ILE A 86 -4.899 -6.801 1.774 1.00 1.00 H new ATOM 0 HD11 ILE A 86 -6.329 -2.200 2.324 1.00 1.00 H new ATOM 0 HD12 ILE A 86 -6.696 -3.175 3.767 1.00 1.00 H new ATOM 0 HD13 ILE A 86 -5.064 -2.505 3.538 1.00 1.00 H new ATOM 1406 N CYS A 87 -7.663 -4.478 5.239 1.00 1.00 N ATOM 1407 CA CYS A 87 -8.885 -3.633 5.339 1.00 1.00 C ATOM 1408 C CYS A 87 -8.573 -2.238 4.805 1.00 1.00 C ATOM 1409 O CYS A 87 -7.562 -1.647 5.127 1.00 1.00 O ATOM 1410 CB CYS A 87 -9.330 -3.549 6.806 1.00 1.00 C ATOM 1411 SG CYS A 87 -10.605 -4.792 7.125 1.00 1.00 S ATOM 0 H CYS A 87 -7.122 -4.557 6.100 1.00 1.00 H new ATOM 0 HA CYS A 87 -9.690 -4.072 4.750 1.00 1.00 H new ATOM 0 HB2 CYS A 87 -8.477 -3.711 7.465 1.00 1.00 H new ATOM 0 HB3 CYS A 87 -9.716 -2.553 7.023 1.00 1.00 H new ATOM 0 HG CYS A 87 -10.979 -4.721 8.368 1.00 1.00 H new ATOM 1416 N ILE A 88 -9.424 -1.718 3.971 1.00 1.00 N ATOM 1417 CA ILE A 88 -9.178 -0.373 3.398 1.00 1.00 C ATOM 1418 C ILE A 88 -10.523 0.324 3.170 1.00 1.00 C ATOM 1419 O ILE A 88 -11.511 -0.306 2.858 1.00 1.00 O ATOM 1420 CB ILE A 88 -8.417 -0.526 2.069 1.00 1.00 C ATOM 1421 CG1 ILE A 88 -8.723 0.663 1.156 1.00 1.00 C ATOM 1422 CG2 ILE A 88 -8.836 -1.819 1.355 1.00 1.00 C ATOM 1423 CD1 ILE A 88 -7.610 0.823 0.113 1.00 1.00 C ATOM 0 H ILE A 88 -10.284 -2.170 3.661 1.00 1.00 H new ATOM 0 HA ILE A 88 -8.578 0.229 4.081 1.00 1.00 H new ATOM 0 HB ILE A 88 -7.350 -0.564 2.288 1.00 1.00 H new ATOM 0 HG12 ILE A 88 -9.681 0.513 0.658 1.00 1.00 H new ATOM 0 HG13 ILE A 88 -8.811 1.574 1.748 1.00 1.00 H new ATOM 0 HG21 ILE A 88 -8.288 -1.911 0.417 1.00 1.00 H new ATOM 0 HG22 ILE A 88 -8.612 -2.675 1.991 1.00 1.00 H new ATOM 0 HG23 ILE A 88 -9.906 -1.790 1.149 1.00 1.00 H new ATOM 0 HD11 ILE A 88 -7.836 1.672 -0.533 1.00 1.00 H new ATOM 0 HD12 ILE A 88 -6.660 0.994 0.618 1.00 1.00 H new ATOM 0 HD13 ILE A 88 -7.543 -0.083 -0.489 1.00 1.00 H new ATOM 1435 N THR A 89 -10.567 1.621 3.322 1.00 1.00 N ATOM 1436 CA THR A 89 -11.847 2.355 3.110 1.00 1.00 C ATOM 1437 C THR A 89 -11.855 2.929 1.690 1.00 1.00 C ATOM 1438 O THR A 89 -10.839 3.374 1.183 1.00 1.00 O ATOM 1439 CB THR A 89 -11.973 3.476 4.155 1.00 1.00 C ATOM 1440 OG1 THR A 89 -12.751 3.008 5.247 1.00 1.00 O ATOM 1441 CG2 THR A 89 -12.649 4.710 3.547 1.00 1.00 C ATOM 0 H THR A 89 -9.771 2.203 3.584 1.00 1.00 H new ATOM 0 HA THR A 89 -12.696 1.682 3.226 1.00 1.00 H new ATOM 0 HB THR A 89 -10.975 3.755 4.493 1.00 1.00 H new ATOM 0 HG1 THR A 89 -13.597 2.643 4.913 1.00 1.00 H new ATOM 0 HG21 THR A 89 -12.728 5.491 4.303 1.00 1.00 H new ATOM 0 HG22 THR A 89 -12.055 5.075 2.709 1.00 1.00 H new ATOM 0 HG23 THR A 89 -13.646 4.443 3.196 1.00 1.00 H new ATOM 1449 N CYS A 90 -12.993 2.906 1.043 1.00 1.00 N ATOM 1450 CA CYS A 90 -13.079 3.431 -0.352 1.00 1.00 C ATOM 1451 C CYS A 90 -14.384 4.212 -0.537 1.00 1.00 C ATOM 1452 O CYS A 90 -15.340 4.020 0.186 1.00 1.00 O ATOM 1453 CB CYS A 90 -13.051 2.252 -1.324 1.00 1.00 C ATOM 1454 SG CYS A 90 -13.234 2.856 -3.017 1.00 1.00 S ATOM 0 H CYS A 90 -13.868 2.545 1.423 1.00 1.00 H new ATOM 0 HA CYS A 90 -12.237 4.096 -0.545 1.00 1.00 H new ATOM 0 HB2 CYS A 90 -12.113 1.706 -1.222 1.00 1.00 H new ATOM 0 HB3 CYS A 90 -13.854 1.554 -1.088 1.00 1.00 H new ATOM 1459 N VAL A 91 -14.427 5.092 -1.505 1.00 1.00 N ATOM 1460 CA VAL A 91 -15.659 5.893 -1.744 1.00 1.00 C ATOM 1461 C VAL A 91 -16.520 5.209 -2.818 1.00 1.00 C ATOM 1462 O VAL A 91 -16.601 3.999 -2.879 1.00 1.00 O ATOM 1463 CB VAL A 91 -15.252 7.309 -2.191 1.00 1.00 C ATOM 1464 CG1 VAL A 91 -14.813 7.303 -3.665 1.00 1.00 C ATOM 1465 CG2 VAL A 91 -16.433 8.276 -1.997 1.00 1.00 C ATOM 0 H VAL A 91 -13.655 5.289 -2.142 1.00 1.00 H new ATOM 0 HA VAL A 91 -16.246 5.963 -0.829 1.00 1.00 H new ATOM 0 HB VAL A 91 -14.412 7.641 -1.581 1.00 1.00 H new ATOM 0 HG11 VAL A 91 -14.529 8.312 -3.964 1.00 1.00 H new ATOM 0 HG12 VAL A 91 -13.961 6.634 -3.788 1.00 1.00 H new ATOM 0 HG13 VAL A 91 -15.638 6.958 -4.289 1.00 1.00 H new ATOM 0 HG21 VAL A 91 -16.140 9.277 -2.315 1.00 1.00 H new ATOM 0 HG22 VAL A 91 -17.281 7.939 -2.594 1.00 1.00 H new ATOM 0 HG23 VAL A 91 -16.716 8.298 -0.945 1.00 1.00 H new ATOM 1475 N ASN A 92 -17.170 5.973 -3.654 1.00 1.00 N ATOM 1476 CA ASN A 92 -18.036 5.372 -4.710 1.00 1.00 C ATOM 1477 C ASN A 92 -17.278 4.291 -5.473 1.00 1.00 C ATOM 1478 O ASN A 92 -17.836 3.289 -5.876 1.00 1.00 O ATOM 1479 CB ASN A 92 -18.479 6.465 -5.685 1.00 1.00 C ATOM 1480 CG ASN A 92 -19.667 5.966 -6.509 1.00 1.00 C ATOM 1481 OD1 ASN A 92 -19.635 4.877 -7.047 1.00 1.00 O ATOM 1482 ND2 ASN A 92 -20.723 6.723 -6.633 1.00 1.00 N ATOM 0 H ASN A 92 -17.138 6.993 -3.651 1.00 1.00 H new ATOM 0 HA ASN A 92 -18.907 4.921 -4.235 1.00 1.00 H new ATOM 0 HB2 ASN A 92 -18.756 7.365 -5.137 1.00 1.00 H new ATOM 0 HB3 ASN A 92 -17.654 6.735 -6.344 1.00 1.00 H new ATOM 0 HD21 ASN A 92 -21.520 6.400 -7.181 1.00 1.00 H new ATOM 0 HD22 ASN A 92 -20.751 7.637 -6.182 1.00 1.00 H new ATOM 1489 N GLN A 93 -16.018 4.491 -5.672 1.00 1.00 N ATOM 1490 CA GLN A 93 -15.205 3.483 -6.415 1.00 1.00 C ATOM 1491 C GLN A 93 -13.749 3.950 -6.490 1.00 1.00 C ATOM 1492 O GLN A 93 -13.108 3.844 -7.515 1.00 1.00 O ATOM 1493 CB GLN A 93 -15.760 3.325 -7.833 1.00 1.00 C ATOM 1494 CG GLN A 93 -16.037 4.706 -8.430 1.00 1.00 C ATOM 1495 CD GLN A 93 -16.302 4.570 -9.930 1.00 1.00 C ATOM 1496 OE1 GLN A 93 -16.368 5.555 -10.639 1.00 1.00 O ATOM 1497 NE2 GLN A 93 -16.460 3.383 -10.448 1.00 1.00 N ATOM 0 H GLN A 93 -15.503 5.312 -5.354 1.00 1.00 H new ATOM 0 HA GLN A 93 -15.253 2.527 -5.894 1.00 1.00 H new ATOM 0 HB2 GLN A 93 -15.047 2.784 -8.456 1.00 1.00 H new ATOM 0 HB3 GLN A 93 -16.677 2.736 -7.813 1.00 1.00 H new ATOM 0 HG2 GLN A 93 -16.897 5.161 -7.938 1.00 1.00 H new ATOM 0 HG3 GLN A 93 -15.186 5.365 -8.259 1.00 1.00 H new ATOM 0 HE21 GLN A 93 -16.405 2.556 -9.854 1.00 1.00 H new ATOM 0 HE22 GLN A 93 -16.639 3.282 -11.447 1.00 1.00 H new ATOM 1506 N LEU A 94 -13.226 4.464 -5.409 1.00 1.00 N ATOM 1507 CA LEU A 94 -11.812 4.948 -5.408 1.00 1.00 C ATOM 1508 C LEU A 94 -11.207 4.742 -4.008 1.00 1.00 C ATOM 1509 O LEU A 94 -11.446 5.526 -3.111 1.00 1.00 O ATOM 1510 CB LEU A 94 -11.799 6.449 -5.741 1.00 1.00 C ATOM 1511 CG LEU A 94 -11.738 6.658 -7.262 1.00 1.00 C ATOM 1512 CD1 LEU A 94 -12.364 8.008 -7.622 1.00 1.00 C ATOM 1513 CD2 LEU A 94 -10.279 6.639 -7.727 1.00 1.00 C ATOM 0 H LEU A 94 -13.718 4.570 -4.522 1.00 1.00 H new ATOM 0 HA LEU A 94 -11.231 4.395 -6.146 1.00 1.00 H new ATOM 0 HB2 LEU A 94 -12.692 6.926 -5.337 1.00 1.00 H new ATOM 0 HB3 LEU A 94 -10.941 6.926 -5.267 1.00 1.00 H new ATOM 0 HG LEU A 94 -12.289 5.857 -7.755 1.00 1.00 H new ATOM 0 HD11 LEU A 94 -12.319 8.154 -8.701 1.00 1.00 H new ATOM 0 HD12 LEU A 94 -13.404 8.025 -7.296 1.00 1.00 H new ATOM 0 HD13 LEU A 94 -11.815 8.808 -7.125 1.00 1.00 H new ATOM 0 HD21 LEU A 94 -10.239 6.787 -8.806 1.00 1.00 H new ATOM 0 HD22 LEU A 94 -9.728 7.438 -7.230 1.00 1.00 H new ATOM 0 HD23 LEU A 94 -9.830 5.678 -7.476 1.00 1.00 H new ATOM 1525 N PRO A 95 -10.423 3.706 -3.817 1.00 1.00 N ATOM 1526 CA PRO A 95 -9.777 3.427 -2.497 1.00 1.00 C ATOM 1527 C PRO A 95 -8.839 4.565 -2.074 1.00 1.00 C ATOM 1528 O PRO A 95 -8.107 5.098 -2.884 1.00 1.00 O ATOM 1529 CB PRO A 95 -8.983 2.129 -2.723 1.00 1.00 C ATOM 1530 CG PRO A 95 -9.496 1.543 -4.001 1.00 1.00 C ATOM 1531 CD PRO A 95 -10.076 2.693 -4.823 1.00 1.00 C ATOM 0 HA PRO A 95 -10.514 3.338 -1.699 1.00 1.00 H new ATOM 0 HB2 PRO A 95 -7.914 2.333 -2.790 1.00 1.00 H new ATOM 0 HB3 PRO A 95 -9.124 1.437 -1.893 1.00 1.00 H new ATOM 0 HG2 PRO A 95 -8.693 1.047 -4.546 1.00 1.00 H new ATOM 0 HG3 PRO A 95 -10.258 0.790 -3.801 1.00 1.00 H new ATOM 0 HD2 PRO A 95 -9.351 3.076 -5.542 1.00 1.00 H new ATOM 0 HD3 PRO A 95 -10.951 2.377 -5.390 1.00 1.00 H new ATOM 1539 N ILE A 96 -8.853 4.956 -0.821 1.00 1.00 N ATOM 1540 CA ILE A 96 -7.957 6.071 -0.397 1.00 1.00 C ATOM 1541 C ILE A 96 -7.521 5.920 1.069 1.00 1.00 C ATOM 1542 O ILE A 96 -6.752 6.723 1.559 1.00 1.00 O ATOM 1543 CB ILE A 96 -8.693 7.406 -0.573 1.00 1.00 C ATOM 1544 CG1 ILE A 96 -10.015 7.388 0.215 1.00 1.00 C ATOM 1545 CG2 ILE A 96 -8.994 7.624 -2.056 1.00 1.00 C ATOM 1546 CD1 ILE A 96 -9.789 7.842 1.663 1.00 1.00 C ATOM 0 H ILE A 96 -9.437 4.557 -0.086 1.00 1.00 H new ATOM 0 HA ILE A 96 -7.063 6.044 -1.020 1.00 1.00 H new ATOM 0 HB ILE A 96 -8.064 8.213 -0.198 1.00 1.00 H new ATOM 0 HG12 ILE A 96 -10.741 8.043 -0.268 1.00 1.00 H new ATOM 0 HG13 ILE A 96 -10.436 6.383 0.205 1.00 1.00 H new ATOM 0 HG21 ILE A 96 -9.517 8.572 -2.186 1.00 1.00 H new ATOM 0 HG22 ILE A 96 -8.060 7.645 -2.618 1.00 1.00 H new ATOM 0 HG23 ILE A 96 -9.620 6.811 -2.424 1.00 1.00 H new ATOM 0 HD11 ILE A 96 -10.736 7.822 2.203 1.00 1.00 H new ATOM 0 HD12 ILE A 96 -9.081 7.171 2.148 1.00 1.00 H new ATOM 0 HD13 ILE A 96 -9.390 8.856 1.668 1.00 1.00 H new ATOM 1558 N HIS A 97 -7.992 4.926 1.790 1.00 1.00 N ATOM 1559 CA HIS A 97 -7.563 4.804 3.223 1.00 1.00 C ATOM 1560 C HIS A 97 -7.131 3.366 3.544 1.00 1.00 C ATOM 1561 O HIS A 97 -7.921 2.447 3.528 1.00 1.00 O ATOM 1562 CB HIS A 97 -8.731 5.211 4.134 1.00 1.00 C ATOM 1563 CG HIS A 97 -8.476 6.576 4.718 1.00 1.00 C ATOM 1564 ND1 HIS A 97 -7.237 6.943 5.227 1.00 1.00 N ATOM 1565 CD2 HIS A 97 -9.289 7.672 4.882 1.00 1.00 C ATOM 1566 CE1 HIS A 97 -7.340 8.211 5.669 1.00 1.00 C ATOM 1567 NE2 HIS A 97 -8.568 8.698 5.481 1.00 1.00 N ATOM 0 H HIS A 97 -8.639 4.210 1.459 1.00 1.00 H new ATOM 0 HA HIS A 97 -6.711 5.462 3.393 1.00 1.00 H new ATOM 0 HB2 HIS A 97 -9.661 5.217 3.566 1.00 1.00 H new ATOM 0 HB3 HIS A 97 -8.851 4.480 4.934 1.00 1.00 H new ATOM 0 HD2 HIS A 97 -10.327 7.727 4.590 1.00 1.00 H new ATOM 0 HE1 HIS A 97 -6.530 8.765 6.120 1.00 1.00 H new ATOM 0 HE2 HIS A 97 -8.907 9.629 5.726 1.00 1.00 H new ATOM 1576 N PHE A 98 -5.877 3.179 3.860 1.00 1.00 N ATOM 1577 CA PHE A 98 -5.374 1.816 4.204 1.00 1.00 C ATOM 1578 C PHE A 98 -5.652 1.540 5.685 1.00 1.00 C ATOM 1579 O PHE A 98 -5.006 2.088 6.557 1.00 1.00 O ATOM 1580 CB PHE A 98 -3.862 1.767 3.958 1.00 1.00 C ATOM 1581 CG PHE A 98 -3.364 0.346 4.062 1.00 1.00 C ATOM 1582 CD1 PHE A 98 -3.328 -0.469 2.924 1.00 1.00 C ATOM 1583 CD2 PHE A 98 -2.925 -0.153 5.294 1.00 1.00 C ATOM 1584 CE1 PHE A 98 -2.855 -1.783 3.018 1.00 1.00 C ATOM 1585 CE2 PHE A 98 -2.453 -1.468 5.388 1.00 1.00 C ATOM 1586 CZ PHE A 98 -2.418 -2.283 4.249 1.00 1.00 C ATOM 0 H PHE A 98 -5.174 3.917 3.895 1.00 1.00 H new ATOM 0 HA PHE A 98 -5.874 1.068 3.589 1.00 1.00 H new ATOM 0 HB2 PHE A 98 -3.633 2.169 2.971 1.00 1.00 H new ATOM 0 HB3 PHE A 98 -3.347 2.395 4.685 1.00 1.00 H new ATOM 0 HD1 PHE A 98 -3.665 -0.084 1.973 1.00 1.00 H new ATOM 0 HD2 PHE A 98 -2.950 0.476 6.172 1.00 1.00 H new ATOM 0 HE1 PHE A 98 -2.827 -2.411 2.140 1.00 1.00 H new ATOM 0 HE2 PHE A 98 -2.116 -1.854 6.339 1.00 1.00 H new ATOM 0 HZ PHE A 98 -2.054 -3.297 4.321 1.00 1.00 H new ATOM 1596 N ALA A 99 -6.607 0.702 5.981 1.00 1.00 N ATOM 1597 CA ALA A 99 -6.917 0.405 7.408 1.00 1.00 C ATOM 1598 C ALA A 99 -5.671 -0.154 8.100 1.00 1.00 C ATOM 1599 O ALA A 99 -5.062 0.498 8.925 1.00 1.00 O ATOM 1600 CB ALA A 99 -8.050 -0.622 7.485 1.00 1.00 C ATOM 0 H ALA A 99 -7.185 0.211 5.299 1.00 1.00 H new ATOM 0 HA ALA A 99 -7.226 1.323 7.908 1.00 1.00 H new ATOM 0 HB1 ALA A 99 -8.275 -0.838 8.529 1.00 1.00 H new ATOM 0 HB2 ALA A 99 -8.939 -0.221 6.998 1.00 1.00 H new ATOM 0 HB3 ALA A 99 -7.744 -1.540 6.983 1.00 1.00 H new ATOM 1606 N GLY A 100 -5.289 -1.359 7.772 1.00 1.00 N ATOM 1607 CA GLY A 100 -4.084 -1.959 8.413 1.00 1.00 C ATOM 1608 C GLY A 100 -3.762 -3.297 7.747 1.00 1.00 C ATOM 1609 O GLY A 100 -4.276 -3.615 6.691 1.00 1.00 O ATOM 0 H GLY A 100 -5.759 -1.953 7.089 1.00 1.00 H new ATOM 0 HA2 GLY A 100 -3.235 -1.282 8.321 1.00 1.00 H new ATOM 0 HA3 GLY A 100 -4.261 -2.105 9.479 1.00 1.00 H new ATOM 1613 N VAL A 101 -2.915 -4.085 8.352 1.00 1.00 N ATOM 1614 CA VAL A 101 -2.561 -5.404 7.752 1.00 1.00 C ATOM 1615 C VAL A 101 -3.586 -6.455 8.181 1.00 1.00 C ATOM 1616 O VAL A 101 -4.017 -6.488 9.317 1.00 1.00 O ATOM 1617 CB VAL A 101 -1.169 -5.823 8.232 1.00 1.00 C ATOM 1618 CG1 VAL A 101 -0.783 -7.152 7.581 1.00 1.00 C ATOM 1619 CG2 VAL A 101 -0.151 -4.750 7.840 1.00 1.00 C ATOM 0 H VAL A 101 -2.453 -3.873 9.236 1.00 1.00 H new ATOM 0 HA VAL A 101 -2.563 -5.320 6.665 1.00 1.00 H new ATOM 0 HB VAL A 101 -1.178 -5.938 9.316 1.00 1.00 H new ATOM 0 HG11 VAL A 101 0.208 -7.450 7.923 1.00 1.00 H new ATOM 0 HG12 VAL A 101 -1.508 -7.917 7.858 1.00 1.00 H new ATOM 0 HG13 VAL A 101 -0.774 -7.037 6.497 1.00 1.00 H new ATOM 0 HG21 VAL A 101 0.841 -5.047 8.181 1.00 1.00 H new ATOM 0 HG22 VAL A 101 -0.142 -4.635 6.756 1.00 1.00 H new ATOM 0 HG23 VAL A 101 -0.425 -3.802 8.303 1.00 1.00 H new ATOM 1629 N GLY A 102 -3.980 -7.315 7.282 1.00 1.00 N ATOM 1630 CA GLY A 102 -4.978 -8.364 7.639 1.00 1.00 C ATOM 1631 C GLY A 102 -6.371 -7.737 7.720 1.00 1.00 C ATOM 1632 O GLY A 102 -6.610 -6.664 7.202 1.00 1.00 O ATOM 0 H GLY A 102 -3.654 -7.337 6.316 1.00 1.00 H new ATOM 0 HA2 GLY A 102 -4.968 -9.159 6.893 1.00 1.00 H new ATOM 0 HA3 GLY A 102 -4.717 -8.820 8.594 1.00 1.00 H new ATOM 1636 N SER A 103 -7.292 -8.396 8.366 1.00 1.00 N ATOM 1637 CA SER A 103 -8.669 -7.837 8.480 1.00 1.00 C ATOM 1638 C SER A 103 -8.684 -6.734 9.540 1.00 1.00 C ATOM 1639 O SER A 103 -7.792 -6.634 10.358 1.00 1.00 O ATOM 1640 CB SER A 103 -9.638 -8.948 8.884 1.00 1.00 C ATOM 1641 OG SER A 103 -9.429 -10.080 8.049 1.00 1.00 O ATOM 0 H SER A 103 -7.151 -9.298 8.820 1.00 1.00 H new ATOM 0 HA SER A 103 -8.974 -7.422 7.520 1.00 1.00 H new ATOM 0 HB2 SER A 103 -9.484 -9.219 9.929 1.00 1.00 H new ATOM 0 HB3 SER A 103 -10.667 -8.600 8.793 1.00 1.00 H new ATOM 0 HG SER A 103 -10.048 -10.795 8.306 1.00 1.00 H new