USER MOD reduce.3.24.130724 H: found=0, std=0, add=1112, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1108 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 89 THR OG1 : rot -112:sc= 1.43 USER MOD Set 1.2: A 97 CYS SG : rot -119:sc= -6.11! USER MOD Set 2.1: A 84 LYS NZ :NH3+ -171:sc= 0.104 (180deg=0) USER MOD Set 2.2: A 85 HIS : no HD1:sc= 0.00933 K(o=0.11,f=-1) USER MOD Set 3.1: A 69 SER OG : rot 180:sc= -3.17 USER MOD Set 3.2: A 120 ASN : amide:sc= -0.867 K(o=-4,f=-12!) USER MOD Set 4.1: A 32 GLN : amide:sc= 0.693 K(o=2,f=-7.9!) USER MOD Set 4.2: A 35 LYS NZ :NH3+ -132:sc= 1.31 (180deg=-0.095) USER MOD Set 5.1: A 24 ASN : amide:sc= -2.88! C(o=-8!,f=-7.8!) USER MOD Set 5.2: A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.3: A 27 SER OG : rot -130:sc= -5.14! USER MOD Set 6.1: A 18 THR OG1 : rot 140:sc= -1.03! USER MOD Set 6.2: A 29 LYS NZ :NH3+ 149:sc= -4.38! (180deg=-7.1!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -144:sc= -0.336 (180deg=-0.907) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 142:sc= -0.66 (180deg=-1.4!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -6.03! C(o=-6!,f=-6.8!) USER MOD Single : A 23 SER OG : rot 180:sc=-0.00981 USER MOD Single : A 28 GLN : amide:sc= -6.4! C(o=-6.4!,f=-5.9!) USER MOD Single : A 30 CYS SG : rot 82:sc= -11.9! USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= -2.61! C(o=-2.6!,f=-4.6!) USER MOD Single : A 48 ASN : amide:sc= -4.92! C(o=-4.9!,f=-5.9!) USER MOD Single : A 52 THR OG1 : rot -151:sc= -1.94! USER MOD Single : A 55 GLN : amide:sc= -0.0927 K(o=-0.093,f=-1.8!) USER MOD Single : A 57 GLN : amide:sc= -4.24! C(o=-4.2!,f=-7.4!) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl -119:sc= -7.76! (180deg=-16.5!) USER MOD Single : A 61 THR OG1 : rot 84:sc= -0.684 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.373 K(o=-0.37,f=-2.3!) USER MOD Single : A 71 GLN : amide:sc= -3.51! C(o=-3.5!,f=-1.1!) USER MOD Single : A 73 GLN : amide:sc= -8.9! C(o=-8.9!,f=-15!) USER MOD Single : A 76 LYS NZ :NH3+ -127:sc= -0.346 (180deg=-2.97!) USER MOD Single : A 79 SER OG : rot 180:sc= -2.07 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot -113:sc= -8.83! USER MOD Single : A 92 MET CE :methyl -131:sc= -16.9! (180deg=-22!) USER MOD Single : A 95 GLN : amide:sc= -18.8! C(o=-19!,f=-28!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= -1.3! C(o=-1.3!,f=-6.4!) USER MOD Single : A 104 ASN : amide:sc= -1.45! C(o=-1.5!,f=-4.9!) USER MOD Single : A 106 LYS NZ :NH3+ -174:sc= 0.0719 (180deg=-0.0214) USER MOD Single : A 115 ASN : amide:sc= -2 K(o=-2,f=-3.6!) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.086) USER MOD Single : A 128 TYR OH : rot -173:sc= 0.114 USER MOD Single : A 131 GLN : amide:sc= -10.2! C(o=-10!,f=-5.7!) USER MOD Single : A 133 LYS NZ :NH3+ -141:sc= 0.757 (180deg=-1.16) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 21.009 -8.758 15.736 1.00 0.00 N ATOM 2 CA MET A 1 22.235 -8.124 16.189 1.00 0.00 C ATOM 3 C MET A 1 22.581 -6.914 15.318 1.00 0.00 C ATOM 4 O MET A 1 22.952 -5.860 15.833 1.00 0.00 O ATOM 5 CB MET A 1 23.382 -9.135 16.137 1.00 0.00 C ATOM 6 CG MET A 1 23.645 -9.738 17.518 1.00 0.00 C ATOM 7 SD MET A 1 25.236 -10.546 17.539 1.00 0.00 S ATOM 8 CE MET A 1 25.124 -11.412 19.096 1.00 0.00 C ATOM 0 H1 MET A 1 20.475 -9.108 16.557 1.00 0.00 H new ATOM 0 H2 MET A 1 20.431 -8.066 15.217 1.00 0.00 H new ATOM 0 H3 MET A 1 21.241 -9.554 15.109 1.00 0.00 H new ATOM 0 HA MET A 1 22.087 -7.781 17.213 1.00 0.00 H new ATOM 0 HB2 MET A 1 23.140 -9.929 15.430 1.00 0.00 H new ATOM 0 HB3 MET A 1 24.285 -8.647 15.771 1.00 0.00 H new ATOM 0 HG2 MET A 1 23.615 -8.956 18.277 1.00 0.00 H new ATOM 0 HG3 MET A 1 22.861 -10.454 17.767 1.00 0.00 H new ATOM 0 HE1 MET A 1 26.043 -11.973 19.267 1.00 0.00 H new ATOM 0 HE2 MET A 1 24.982 -10.693 19.903 1.00 0.00 H new ATOM 0 HE3 MET A 1 24.279 -12.100 19.070 1.00 0.00 H new ATOM 18 N SER A 2 22.446 -7.106 14.014 1.00 0.00 N ATOM 19 CA SER A 2 22.740 -6.044 13.067 1.00 0.00 C ATOM 20 C SER A 2 21.582 -5.890 12.078 1.00 0.00 C ATOM 21 O SER A 2 20.801 -4.945 12.174 1.00 0.00 O ATOM 22 CB SER A 2 24.045 -6.319 12.318 1.00 0.00 C ATOM 23 OG SER A 2 25.184 -5.865 13.045 1.00 0.00 O ATOM 0 H SER A 2 22.137 -7.981 13.591 1.00 0.00 H new ATOM 0 HA SER A 2 22.861 -5.114 13.623 1.00 0.00 H new ATOM 0 HB2 SER A 2 24.137 -7.389 12.131 1.00 0.00 H new ATOM 0 HB3 SER A 2 24.016 -5.827 11.346 1.00 0.00 H new ATOM 0 HG SER A 2 25.997 -6.060 12.534 1.00 0.00 H new ATOM 29 N PHE A 3 21.509 -6.833 11.151 1.00 0.00 N ATOM 30 CA PHE A 3 20.461 -6.814 10.145 1.00 0.00 C ATOM 31 C PHE A 3 20.546 -5.550 9.288 1.00 0.00 C ATOM 32 O PHE A 3 20.593 -4.440 9.815 1.00 0.00 O ATOM 33 CB PHE A 3 19.125 -6.820 10.892 1.00 0.00 C ATOM 34 CG PHE A 3 19.010 -7.917 11.952 1.00 0.00 C ATOM 35 CD1 PHE A 3 19.377 -9.193 11.654 1.00 0.00 C ATOM 36 CD2 PHE A 3 18.540 -7.617 13.193 1.00 0.00 C ATOM 37 CE1 PHE A 3 19.270 -10.211 12.638 1.00 0.00 C ATOM 38 CE2 PHE A 3 18.433 -8.636 14.177 1.00 0.00 C ATOM 39 CZ PHE A 3 18.801 -9.911 13.879 1.00 0.00 C ATOM 0 H PHE A 3 22.159 -7.616 11.075 1.00 0.00 H new ATOM 0 HA PHE A 3 20.563 -7.675 9.485 1.00 0.00 H new ATOM 0 HB2 PHE A 3 18.983 -5.851 11.370 1.00 0.00 H new ATOM 0 HB3 PHE A 3 18.317 -6.940 10.170 1.00 0.00 H new ATOM 0 HD1 PHE A 3 19.750 -9.431 10.669 1.00 0.00 H new ATOM 0 HD2 PHE A 3 18.248 -6.604 13.430 1.00 0.00 H new ATOM 0 HE1 PHE A 3 19.561 -11.224 12.401 1.00 0.00 H new ATOM 0 HE2 PHE A 3 18.059 -8.398 15.162 1.00 0.00 H new ATOM 0 HZ PHE A 3 18.721 -10.685 14.628 1.00 0.00 H new ATOM 49 N TRP A 4 20.564 -5.761 7.980 1.00 0.00 N ATOM 50 CA TRP A 4 20.642 -4.652 7.044 1.00 0.00 C ATOM 51 C TRP A 4 19.225 -4.123 6.817 1.00 0.00 C ATOM 52 O TRP A 4 19.006 -2.913 6.800 1.00 0.00 O ATOM 53 CB TRP A 4 21.336 -5.077 5.748 1.00 0.00 C ATOM 54 CG TRP A 4 22.614 -5.891 5.964 1.00 0.00 C ATOM 55 CD1 TRP A 4 22.722 -7.199 6.233 1.00 0.00 C ATOM 56 CD2 TRP A 4 23.968 -5.394 5.918 1.00 0.00 C ATOM 57 NE1 TRP A 4 24.042 -7.581 6.363 1.00 0.00 N ATOM 58 CE2 TRP A 4 24.824 -6.448 6.165 1.00 0.00 C ATOM 59 CE3 TRP A 4 24.454 -4.098 5.675 1.00 0.00 C ATOM 60 CZ2 TRP A 4 26.217 -6.314 6.194 1.00 0.00 C ATOM 61 CZ3 TRP A 4 25.849 -3.980 5.707 1.00 0.00 C ATOM 62 CH2 TRP A 4 26.724 -5.031 5.954 1.00 0.00 C ATOM 0 H TRP A 4 20.526 -6.683 7.546 1.00 0.00 H new ATOM 0 HA TRP A 4 21.253 -3.846 7.451 1.00 0.00 H new ATOM 0 HB2 TRP A 4 20.639 -5.665 5.151 1.00 0.00 H new ATOM 0 HB3 TRP A 4 21.579 -4.186 5.169 1.00 0.00 H new ATOM 0 HD1 TRP A 4 21.882 -7.870 6.335 1.00 0.00 H new ATOM 0 HE1 TRP A 4 24.381 -8.521 6.567 1.00 0.00 H new ATOM 0 HE3 TRP A 4 23.803 -3.259 5.479 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 26.866 -7.155 6.391 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 26.275 -3.004 5.527 1.00 0.00 H new ATOM 0 HH2 TRP A 4 27.790 -4.859 5.961 1.00 0.00 H new ATOM 73 N LYS A 5 18.299 -5.056 6.649 1.00 0.00 N ATOM 74 CA LYS A 5 16.909 -4.698 6.424 1.00 0.00 C ATOM 75 C LYS A 5 16.219 -4.479 7.772 1.00 0.00 C ATOM 76 O LYS A 5 15.101 -3.969 7.825 1.00 0.00 O ATOM 77 CB LYS A 5 16.222 -5.746 5.545 1.00 0.00 C ATOM 78 CG LYS A 5 16.772 -5.710 4.118 1.00 0.00 C ATOM 79 CD LYS A 5 16.479 -4.365 3.451 1.00 0.00 C ATOM 80 CE LYS A 5 17.637 -3.386 3.658 1.00 0.00 C ATOM 81 NZ LYS A 5 17.135 -2.090 4.168 1.00 0.00 N ATOM 0 H LYS A 5 18.484 -6.059 6.664 1.00 0.00 H new ATOM 0 HA LYS A 5 16.841 -3.759 5.874 1.00 0.00 H new ATOM 0 HB2 LYS A 5 16.372 -6.738 5.971 1.00 0.00 H new ATOM 0 HB3 LYS A 5 15.147 -5.565 5.529 1.00 0.00 H new ATOM 0 HG2 LYS A 5 17.848 -5.885 4.135 1.00 0.00 H new ATOM 0 HG3 LYS A 5 16.327 -6.515 3.533 1.00 0.00 H new ATOM 0 HD2 LYS A 5 16.310 -4.513 2.384 1.00 0.00 H new ATOM 0 HD3 LYS A 5 15.563 -3.942 3.863 1.00 0.00 H new ATOM 0 HE2 LYS A 5 18.355 -3.807 4.362 1.00 0.00 H new ATOM 0 HE3 LYS A 5 18.165 -3.233 2.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 17.805 -1.709 4.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 17.039 -1.420 3.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 16.208 -2.230 4.618 1.00 0.00 H new ATOM 95 N THR A 6 16.914 -4.874 8.828 1.00 0.00 N ATOM 96 CA THR A 6 16.382 -4.727 10.172 1.00 0.00 C ATOM 97 C THR A 6 15.037 -5.445 10.295 1.00 0.00 C ATOM 98 O THR A 6 14.465 -5.875 9.295 1.00 0.00 O ATOM 99 CB THR A 6 16.304 -3.232 10.488 1.00 0.00 C ATOM 100 OG1 THR A 6 17.246 -3.051 11.543 1.00 0.00 O ATOM 101 CG2 THR A 6 14.965 -2.835 11.112 1.00 0.00 C ATOM 0 H THR A 6 17.841 -5.296 8.780 1.00 0.00 H new ATOM 0 HA THR A 6 17.034 -5.197 10.909 1.00 0.00 H new ATOM 0 HB THR A 6 16.463 -2.659 9.575 1.00 0.00 H new ATOM 0 HG1 THR A 6 17.262 -2.108 11.809 1.00 0.00 H new ATOM 0 HG21 THR A 6 14.962 -1.764 11.317 1.00 0.00 H new ATOM 0 HG22 THR A 6 14.156 -3.075 10.421 1.00 0.00 H new ATOM 0 HG23 THR A 6 14.821 -3.383 12.043 1.00 0.00 H new ATOM 109 N LEU A 7 14.571 -5.553 11.531 1.00 0.00 N ATOM 110 CA LEU A 7 13.303 -6.212 11.797 1.00 0.00 C ATOM 111 C LEU A 7 13.438 -7.706 11.501 1.00 0.00 C ATOM 112 O LEU A 7 13.722 -8.095 10.369 1.00 0.00 O ATOM 113 CB LEU A 7 12.172 -5.530 11.024 1.00 0.00 C ATOM 114 CG LEU A 7 10.781 -6.146 11.190 1.00 0.00 C ATOM 115 CD1 LEU A 7 9.985 -5.418 12.275 1.00 0.00 C ATOM 116 CD2 LEU A 7 10.034 -6.178 9.855 1.00 0.00 C ATOM 0 H LEU A 7 15.048 -5.196 12.359 1.00 0.00 H new ATOM 0 HA LEU A 7 13.038 -6.119 12.850 1.00 0.00 H new ATOM 0 HB2 LEU A 7 12.125 -4.486 11.334 1.00 0.00 H new ATOM 0 HB3 LEU A 7 12.427 -5.537 9.964 1.00 0.00 H new ATOM 0 HG LEU A 7 10.901 -7.179 11.517 1.00 0.00 H new ATOM 0 HD11 LEU A 7 9.000 -5.875 12.373 1.00 0.00 H new ATOM 0 HD12 LEU A 7 10.515 -5.490 13.225 1.00 0.00 H new ATOM 0 HD13 LEU A 7 9.872 -4.369 12.001 1.00 0.00 H new ATOM 0 HD21 LEU A 7 9.048 -6.620 10.000 1.00 0.00 H new ATOM 0 HD22 LEU A 7 9.924 -5.162 9.475 1.00 0.00 H new ATOM 0 HD23 LEU A 7 10.597 -6.774 9.137 1.00 0.00 H new ATOM 128 N GLN A 8 13.227 -8.504 12.537 1.00 0.00 N ATOM 129 CA GLN A 8 13.321 -9.948 12.402 1.00 0.00 C ATOM 130 C GLN A 8 12.089 -10.495 11.679 1.00 0.00 C ATOM 131 O GLN A 8 11.085 -9.797 11.542 1.00 0.00 O ATOM 132 CB GLN A 8 13.498 -10.616 13.766 1.00 0.00 C ATOM 133 CG GLN A 8 12.238 -10.462 14.620 1.00 0.00 C ATOM 134 CD GLN A 8 12.458 -11.019 16.028 1.00 0.00 C ATOM 135 OE1 GLN A 8 13.575 -11.217 16.478 1.00 0.00 O ATOM 136 NE2 GLN A 8 11.334 -11.258 16.697 1.00 0.00 N ATOM 0 H GLN A 8 12.991 -8.178 13.474 1.00 0.00 H new ATOM 0 HA GLN A 8 14.202 -10.181 11.804 1.00 0.00 H new ATOM 0 HB2 GLN A 8 13.722 -11.674 13.630 1.00 0.00 H new ATOM 0 HB3 GLN A 8 14.349 -10.173 14.284 1.00 0.00 H new ATOM 0 HG2 GLN A 8 11.962 -9.409 14.681 1.00 0.00 H new ATOM 0 HG3 GLN A 8 11.407 -10.983 14.145 1.00 0.00 H new ATOM 0 HE21 GLN A 8 10.431 -11.070 16.261 1.00 0.00 H new ATOM 0 HE22 GLN A 8 11.375 -11.630 17.646 1.00 0.00 H new ATOM 145 N ARG A 9 12.205 -11.738 11.235 1.00 0.00 N ATOM 146 CA ARG A 9 11.113 -12.386 10.530 1.00 0.00 C ATOM 147 C ARG A 9 10.705 -11.560 9.308 1.00 0.00 C ATOM 148 O ARG A 9 9.739 -10.801 9.362 1.00 0.00 O ATOM 149 CB ARG A 9 9.898 -12.567 11.443 1.00 0.00 C ATOM 150 CG ARG A 9 9.891 -13.960 12.076 1.00 0.00 C ATOM 151 CD ARG A 9 10.151 -13.879 13.582 1.00 0.00 C ATOM 152 NE ARG A 9 9.891 -15.193 14.212 1.00 0.00 N ATOM 153 CZ ARG A 9 8.666 -15.673 14.468 1.00 0.00 C ATOM 154 NH1 ARG A 9 7.583 -14.951 14.149 1.00 0.00 N ATOM 155 NH2 ARG A 9 8.525 -16.875 15.042 1.00 0.00 N ATOM 0 H ARG A 9 13.039 -12.314 11.350 1.00 0.00 H new ATOM 0 HA ARG A 9 11.462 -13.368 10.209 1.00 0.00 H new ATOM 0 HB2 ARG A 9 9.910 -11.808 12.225 1.00 0.00 H new ATOM 0 HB3 ARG A 9 8.983 -12.419 10.870 1.00 0.00 H new ATOM 0 HG2 ARG A 9 8.930 -14.441 11.895 1.00 0.00 H new ATOM 0 HG3 ARG A 9 10.652 -14.581 11.605 1.00 0.00 H new ATOM 0 HD2 ARG A 9 11.182 -13.576 13.766 1.00 0.00 H new ATOM 0 HD3 ARG A 9 9.511 -13.119 14.030 1.00 0.00 H new ATOM 0 HE ARG A 9 10.693 -15.769 14.467 1.00 0.00 H new ATOM 0 HH11 ARG A 9 7.691 -14.036 13.711 1.00 0.00 H new ATOM 0 HH12 ARG A 9 6.651 -15.316 14.344 1.00 0.00 H new ATOM 0 HH21 ARG A 9 9.350 -17.424 15.284 1.00 0.00 H new ATOM 0 HH22 ARG A 9 7.593 -17.241 15.237 1.00 0.00 H new ATOM 169 N GLN A 10 11.463 -11.736 8.235 1.00 0.00 N ATOM 170 CA GLN A 10 11.192 -11.016 7.002 1.00 0.00 C ATOM 171 C GLN A 10 10.110 -11.735 6.194 1.00 0.00 C ATOM 172 O GLN A 10 10.141 -12.957 6.058 1.00 0.00 O ATOM 173 CB GLN A 10 12.469 -10.844 6.177 1.00 0.00 C ATOM 174 CG GLN A 10 12.757 -12.095 5.344 1.00 0.00 C ATOM 175 CD GLN A 10 14.228 -12.148 4.926 1.00 0.00 C ATOM 176 OE1 GLN A 10 14.911 -11.142 4.836 1.00 0.00 O ATOM 177 NE2 GLN A 10 14.675 -13.376 4.677 1.00 0.00 N ATOM 0 H GLN A 10 12.264 -12.366 8.194 1.00 0.00 H new ATOM 0 HA GLN A 10 10.826 -10.022 7.257 1.00 0.00 H new ATOM 0 HB2 GLN A 10 12.368 -9.980 5.520 1.00 0.00 H new ATOM 0 HB3 GLN A 10 13.310 -10.643 6.840 1.00 0.00 H new ATOM 0 HG2 GLN A 10 12.507 -12.986 5.920 1.00 0.00 H new ATOM 0 HG3 GLN A 10 12.123 -12.100 4.458 1.00 0.00 H new ATOM 0 HE21 GLN A 10 14.049 -14.176 4.772 1.00 0.00 H new ATOM 0 HE22 GLN A 10 15.644 -13.518 4.391 1.00 0.00 H new ATOM 186 N PRO A 11 9.154 -10.925 5.666 1.00 0.00 N ATOM 187 CA PRO A 11 8.064 -11.471 4.875 1.00 0.00 C ATOM 188 C PRO A 11 8.546 -11.871 3.479 1.00 0.00 C ATOM 189 O PRO A 11 9.462 -11.256 2.935 1.00 0.00 O ATOM 190 CB PRO A 11 7.010 -10.376 4.849 1.00 0.00 C ATOM 191 CG PRO A 11 7.732 -9.093 5.228 1.00 0.00 C ATOM 192 CD PRO A 11 9.085 -9.474 5.807 1.00 0.00 C ATOM 0 HA PRO A 11 7.655 -12.389 5.298 1.00 0.00 H new ATOM 0 HB2 PRO A 11 6.558 -10.292 3.861 1.00 0.00 H new ATOM 0 HB3 PRO A 11 6.204 -10.593 5.551 1.00 0.00 H new ATOM 0 HG2 PRO A 11 7.857 -8.453 4.355 1.00 0.00 H new ATOM 0 HG3 PRO A 11 7.150 -8.528 5.957 1.00 0.00 H new ATOM 0 HD2 PRO A 11 9.897 -8.985 5.270 1.00 0.00 H new ATOM 0 HD3 PRO A 11 9.167 -9.173 6.851 1.00 0.00 H new ATOM 200 N ARG A 12 7.908 -12.899 2.939 1.00 0.00 N ATOM 201 CA ARG A 12 8.260 -13.388 1.617 1.00 0.00 C ATOM 202 C ARG A 12 7.384 -12.722 0.554 1.00 0.00 C ATOM 203 O ARG A 12 7.893 -12.185 -0.428 1.00 0.00 O ATOM 204 CB ARG A 12 8.093 -14.906 1.529 1.00 0.00 C ATOM 205 CG ARG A 12 9.249 -15.541 0.753 1.00 0.00 C ATOM 206 CD ARG A 12 9.259 -17.060 0.930 1.00 0.00 C ATOM 207 NE ARG A 12 10.639 -17.577 0.794 1.00 0.00 N ATOM 208 CZ ARG A 12 11.548 -17.560 1.778 1.00 0.00 C ATOM 209 NH1 ARG A 12 11.229 -17.053 2.976 1.00 0.00 N ATOM 210 NH2 ARG A 12 12.777 -18.051 1.563 1.00 0.00 N ATOM 0 H ARG A 12 7.149 -13.407 3.393 1.00 0.00 H new ATOM 0 HA ARG A 12 9.306 -13.138 1.439 1.00 0.00 H new ATOM 0 HB2 ARG A 12 8.048 -15.329 2.532 1.00 0.00 H new ATOM 0 HB3 ARG A 12 7.148 -15.144 1.040 1.00 0.00 H new ATOM 0 HG2 ARG A 12 9.160 -15.295 -0.305 1.00 0.00 H new ATOM 0 HG3 ARG A 12 10.195 -15.125 1.098 1.00 0.00 H new ATOM 0 HD2 ARG A 12 8.858 -17.323 1.909 1.00 0.00 H new ATOM 0 HD3 ARG A 12 8.613 -17.525 0.186 1.00 0.00 H new ATOM 0 HE ARG A 12 10.915 -17.971 -0.105 1.00 0.00 H new ATOM 0 HH11 ARG A 12 10.294 -16.680 3.139 1.00 0.00 H new ATOM 0 HH12 ARG A 12 11.921 -17.040 3.725 1.00 0.00 H new ATOM 0 HH21 ARG A 12 13.019 -18.437 0.651 1.00 0.00 H new ATOM 0 HH22 ARG A 12 13.469 -18.038 2.312 1.00 0.00 H new ATOM 224 N THR A 13 6.081 -12.779 0.787 1.00 0.00 N ATOM 225 CA THR A 13 5.129 -12.188 -0.139 1.00 0.00 C ATOM 226 C THR A 13 4.832 -10.740 0.254 1.00 0.00 C ATOM 227 O THR A 13 4.256 -10.485 1.311 1.00 0.00 O ATOM 228 CB THR A 13 3.884 -13.077 -0.168 1.00 0.00 C ATOM 229 OG1 THR A 13 4.344 -14.299 -0.739 1.00 0.00 O ATOM 230 CG2 THR A 13 2.830 -12.577 -1.158 1.00 0.00 C ATOM 0 H THR A 13 5.662 -13.225 1.603 1.00 0.00 H new ATOM 0 HA THR A 13 5.536 -12.141 -1.149 1.00 0.00 H new ATOM 0 HB THR A 13 3.450 -13.126 0.830 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.600 -14.935 -0.794 1.00 0.00 H new ATOM 0 HG21 THR A 13 1.968 -13.244 -1.139 1.00 0.00 H new ATOM 0 HG22 THR A 13 2.517 -11.571 -0.879 1.00 0.00 H new ATOM 0 HG23 THR A 13 3.253 -12.560 -2.162 1.00 0.00 H new ATOM 238 N ILE A 14 5.238 -9.829 -0.618 1.00 0.00 N ATOM 239 CA ILE A 14 5.023 -8.412 -0.375 1.00 0.00 C ATOM 240 C ILE A 14 3.903 -7.908 -1.288 1.00 0.00 C ATOM 241 O ILE A 14 4.060 -7.872 -2.507 1.00 0.00 O ATOM 242 CB ILE A 14 6.334 -7.638 -0.524 1.00 0.00 C ATOM 243 CG1 ILE A 14 7.527 -8.491 -0.089 1.00 0.00 C ATOM 244 CG2 ILE A 14 6.274 -6.308 0.230 1.00 0.00 C ATOM 245 CD1 ILE A 14 7.502 -8.739 1.420 1.00 0.00 C ATOM 0 H ILE A 14 5.715 -10.044 -1.494 1.00 0.00 H new ATOM 0 HA ILE A 14 4.697 -8.246 0.652 1.00 0.00 H new ATOM 0 HB ILE A 14 6.474 -7.404 -1.579 1.00 0.00 H new ATOM 0 HG12 ILE A 14 7.510 -9.444 -0.618 1.00 0.00 H new ATOM 0 HG13 ILE A 14 8.456 -7.991 -0.364 1.00 0.00 H new ATOM 0 HG21 ILE A 14 7.218 -5.778 0.108 1.00 0.00 H new ATOM 0 HG22 ILE A 14 5.462 -5.700 -0.169 1.00 0.00 H new ATOM 0 HG23 ILE A 14 6.099 -6.498 1.289 1.00 0.00 H new ATOM 0 HD11 ILE A 14 8.361 -9.348 1.703 1.00 0.00 H new ATOM 0 HD12 ILE A 14 7.544 -7.785 1.946 1.00 0.00 H new ATOM 0 HD13 ILE A 14 6.583 -9.261 1.688 1.00 0.00 H new ATOM 257 N SER A 15 2.798 -7.530 -0.662 1.00 0.00 N ATOM 258 CA SER A 15 1.652 -7.029 -1.402 1.00 0.00 C ATOM 259 C SER A 15 1.628 -5.500 -1.357 1.00 0.00 C ATOM 260 O SER A 15 1.244 -4.912 -0.348 1.00 0.00 O ATOM 261 CB SER A 15 0.346 -7.598 -0.846 1.00 0.00 C ATOM 262 OG SER A 15 -0.208 -8.596 -1.699 1.00 0.00 O ATOM 0 H SER A 15 2.672 -7.561 0.350 1.00 0.00 H new ATOM 0 HA SER A 15 1.745 -7.354 -2.438 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.527 -8.024 0.141 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.375 -6.791 -0.717 1.00 0.00 H new ATOM 0 HG SER A 15 -1.040 -8.935 -1.308 1.00 0.00 H new ATOM 268 N LEU A 16 2.043 -4.900 -2.463 1.00 0.00 N ATOM 269 CA LEU A 16 2.074 -3.451 -2.562 1.00 0.00 C ATOM 270 C LEU A 16 0.939 -2.982 -3.474 1.00 0.00 C ATOM 271 O LEU A 16 0.763 -3.507 -4.573 1.00 0.00 O ATOM 272 CB LEU A 16 3.458 -2.974 -3.008 1.00 0.00 C ATOM 273 CG LEU A 16 4.417 -2.560 -1.890 1.00 0.00 C ATOM 274 CD1 LEU A 16 5.811 -3.149 -2.117 1.00 0.00 C ATOM 275 CD2 LEU A 16 4.456 -1.039 -1.736 1.00 0.00 C ATOM 0 H LEU A 16 2.361 -5.391 -3.298 1.00 0.00 H new ATOM 0 HA LEU A 16 1.906 -2.999 -1.585 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.927 -3.771 -3.585 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.329 -2.127 -3.681 1.00 0.00 H new ATOM 0 HG LEU A 16 4.043 -2.969 -0.951 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.473 -2.839 -1.308 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.747 -4.237 -2.137 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.207 -2.791 -3.067 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.145 -0.772 -0.935 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.792 -0.587 -2.669 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.459 -0.672 -1.494 1.00 0.00 H new ATOM 287 N PHE A 17 0.197 -2.000 -2.985 1.00 0.00 N ATOM 288 CA PHE A 17 -0.917 -1.454 -3.742 1.00 0.00 C ATOM 289 C PHE A 17 -0.544 -0.112 -4.375 1.00 0.00 C ATOM 290 O PHE A 17 0.277 0.627 -3.835 1.00 0.00 O ATOM 291 CB PHE A 17 -2.066 -1.238 -2.755 1.00 0.00 C ATOM 292 CG PHE A 17 -2.727 -2.532 -2.277 1.00 0.00 C ATOM 293 CD1 PHE A 17 -3.401 -3.317 -3.160 1.00 0.00 C ATOM 294 CD2 PHE A 17 -2.642 -2.897 -0.970 1.00 0.00 C ATOM 295 CE1 PHE A 17 -4.016 -4.518 -2.716 1.00 0.00 C ATOM 296 CE2 PHE A 17 -3.256 -4.098 -0.527 1.00 0.00 C ATOM 297 CZ PHE A 17 -3.930 -4.883 -1.409 1.00 0.00 C ATOM 0 H PHE A 17 0.345 -1.568 -2.073 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.193 -2.139 -4.544 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.690 -0.693 -1.889 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.821 -0.608 -3.225 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -3.469 -3.027 -4.198 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -2.107 -2.273 -0.269 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -4.552 -5.141 -3.417 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -3.188 -4.388 0.511 1.00 0.00 H new ATOM 0 HZ PHE A 17 -4.397 -5.796 -1.072 1.00 0.00 H new ATOM 307 N THR A 18 -1.167 0.162 -5.512 1.00 0.00 N ATOM 308 CA THR A 18 -0.911 1.403 -6.225 1.00 0.00 C ATOM 309 C THR A 18 -2.063 2.387 -6.012 1.00 0.00 C ATOM 310 O THR A 18 -3.227 1.991 -5.992 1.00 0.00 O ATOM 311 CB THR A 18 -0.668 1.061 -7.696 1.00 0.00 C ATOM 312 OG1 THR A 18 0.718 0.735 -7.752 1.00 0.00 O ATOM 313 CG2 THR A 18 -0.800 2.281 -8.610 1.00 0.00 C ATOM 0 H THR A 18 -1.848 -0.453 -5.957 1.00 0.00 H new ATOM 0 HA THR A 18 -0.022 1.904 -5.842 1.00 0.00 H new ATOM 0 HB THR A 18 -1.374 0.293 -8.011 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.850 -0.032 -8.347 1.00 0.00 H new ATOM 0 HG21 THR A 18 -0.618 1.983 -9.643 1.00 0.00 H new ATOM 0 HG22 THR A 18 -1.805 2.694 -8.523 1.00 0.00 H new ATOM 0 HG23 THR A 18 -0.071 3.036 -8.316 1.00 0.00 H new ATOM 321 N ASN A 19 -1.698 3.651 -5.858 1.00 0.00 N ATOM 322 CA ASN A 19 -2.686 4.696 -5.648 1.00 0.00 C ATOM 323 C ASN A 19 -2.207 5.987 -6.315 1.00 0.00 C ATOM 324 O ASN A 19 -1.955 6.982 -5.638 1.00 0.00 O ATOM 325 CB ASN A 19 -2.880 4.977 -4.157 1.00 0.00 C ATOM 326 CG ASN A 19 -3.947 4.057 -3.560 1.00 0.00 C ATOM 327 OD1 ASN A 19 -5.080 4.446 -3.329 1.00 0.00 O ATOM 328 ND2 ASN A 19 -3.523 2.819 -3.323 1.00 0.00 N ATOM 0 H ASN A 19 -0.731 3.976 -5.874 1.00 0.00 H new ATOM 0 HA ASN A 19 -3.630 4.360 -6.078 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -1.936 4.835 -3.631 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -3.171 6.018 -4.014 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -4.160 2.129 -2.924 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -2.561 2.559 -3.540 1.00 0.00 H new ATOM 335 N ASP A 20 -2.096 5.928 -7.634 1.00 0.00 N ATOM 336 CA ASP A 20 -1.652 7.081 -8.399 1.00 0.00 C ATOM 337 C ASP A 20 -0.292 7.543 -7.874 1.00 0.00 C ATOM 338 O ASP A 20 0.097 7.199 -6.759 1.00 0.00 O ATOM 339 CB ASP A 20 -2.634 8.246 -8.259 1.00 0.00 C ATOM 340 CG ASP A 20 -2.180 9.555 -8.909 1.00 0.00 C ATOM 341 OD1 ASP A 20 -2.422 9.698 -10.127 1.00 0.00 O ATOM 342 OD2 ASP A 20 -1.601 10.383 -8.173 1.00 0.00 O ATOM 0 H ASP A 20 -2.306 5.100 -8.192 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.589 6.787 -9.447 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.588 7.952 -8.697 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.812 8.427 -7.199 1.00 0.00 H new ATOM 347 N ILE A 21 0.396 8.314 -8.703 1.00 0.00 N ATOM 348 CA ILE A 21 1.705 8.826 -8.337 1.00 0.00 C ATOM 349 C ILE A 21 2.202 9.774 -9.431 1.00 0.00 C ATOM 350 O ILE A 21 1.937 10.974 -9.385 1.00 0.00 O ATOM 351 CB ILE A 21 2.667 7.675 -8.038 1.00 0.00 C ATOM 352 CG1 ILE A 21 2.009 6.323 -8.322 1.00 0.00 C ATOM 353 CG2 ILE A 21 3.200 7.763 -6.606 1.00 0.00 C ATOM 354 CD1 ILE A 21 3.017 5.335 -8.911 1.00 0.00 C ATOM 0 H ILE A 21 0.071 8.597 -9.628 1.00 0.00 H new ATOM 0 HA ILE A 21 1.642 9.406 -7.416 1.00 0.00 H new ATOM 0 HB ILE A 21 3.523 7.764 -8.706 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.592 5.917 -7.400 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.179 6.457 -9.015 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.881 6.933 -6.420 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.731 8.705 -6.473 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.367 7.713 -5.904 1.00 0.00 H new ATOM 0 HD11 ILE A 21 2.523 4.383 -9.103 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.414 5.733 -9.845 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.834 5.184 -8.205 1.00 0.00 H new ATOM 366 N ALA A 22 2.914 9.198 -10.389 1.00 0.00 N ATOM 367 CA ALA A 22 3.450 9.976 -11.493 1.00 0.00 C ATOM 368 C ALA A 22 3.208 9.226 -12.805 1.00 0.00 C ATOM 369 O ALA A 22 2.172 8.586 -12.976 1.00 0.00 O ATOM 370 CB ALA A 22 4.933 10.257 -11.247 1.00 0.00 C ATOM 0 H ALA A 22 3.132 8.202 -10.423 1.00 0.00 H new ATOM 0 HA ALA A 22 2.944 10.939 -11.565 1.00 0.00 H new ATOM 0 HB1 ALA A 22 5.335 10.841 -12.075 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.048 10.817 -10.319 1.00 0.00 H new ATOM 0 HB3 ALA A 22 5.474 9.314 -11.171 1.00 0.00 H new ATOM 376 N SER A 23 4.183 9.330 -13.696 1.00 0.00 N ATOM 377 CA SER A 23 4.089 8.669 -14.987 1.00 0.00 C ATOM 378 C SER A 23 3.329 7.349 -14.846 1.00 0.00 C ATOM 379 O SER A 23 2.138 7.280 -15.144 1.00 0.00 O ATOM 380 CB SER A 23 5.477 8.421 -15.581 1.00 0.00 C ATOM 381 OG SER A 23 5.448 7.443 -16.617 1.00 0.00 O ATOM 0 H SER A 23 5.041 9.861 -13.550 1.00 0.00 H new ATOM 0 HA SER A 23 3.544 9.324 -15.667 1.00 0.00 H new ATOM 0 HB2 SER A 23 5.874 9.356 -15.976 1.00 0.00 H new ATOM 0 HB3 SER A 23 6.155 8.094 -14.793 1.00 0.00 H new ATOM 0 HG SER A 23 6.353 7.315 -16.971 1.00 0.00 H new ATOM 387 N ASN A 24 4.048 6.335 -14.390 1.00 0.00 N ATOM 388 CA ASN A 24 3.456 5.021 -14.205 1.00 0.00 C ATOM 389 C ASN A 24 2.892 4.915 -12.787 1.00 0.00 C ATOM 390 O ASN A 24 3.622 4.611 -11.845 1.00 0.00 O ATOM 391 CB ASN A 24 4.500 3.916 -14.382 1.00 0.00 C ATOM 392 CG ASN A 24 4.290 3.168 -15.700 1.00 0.00 C ATOM 393 OD1 ASN A 24 3.186 2.795 -16.062 1.00 0.00 O ATOM 394 ND2 ASN A 24 5.407 2.970 -16.394 1.00 0.00 N ATOM 0 H ASN A 24 5.036 6.396 -14.143 1.00 0.00 H new ATOM 0 HA ASN A 24 2.670 4.898 -14.950 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.500 4.349 -14.361 1.00 0.00 H new ATOM 0 HB3 ASN A 24 4.438 3.216 -13.549 1.00 0.00 H new ATOM 0 HD21 ASN A 24 5.372 2.479 -17.288 1.00 0.00 H new ATOM 0 HD22 ASN A 24 6.299 3.309 -16.033 1.00 0.00 H new ATOM 401 N ILE A 25 1.596 5.172 -12.680 1.00 0.00 N ATOM 402 CA ILE A 25 0.925 5.110 -11.393 1.00 0.00 C ATOM 403 C ILE A 25 1.280 3.793 -10.700 1.00 0.00 C ATOM 404 O ILE A 25 1.383 3.739 -9.476 1.00 0.00 O ATOM 405 CB ILE A 25 -0.579 5.330 -11.562 1.00 0.00 C ATOM 406 CG1 ILE A 25 -0.912 6.822 -11.625 1.00 0.00 C ATOM 407 CG2 ILE A 25 -1.365 4.614 -10.462 1.00 0.00 C ATOM 408 CD1 ILE A 25 -0.571 7.402 -12.999 1.00 0.00 C ATOM 0 H ILE A 25 0.993 5.423 -13.464 1.00 0.00 H new ATOM 0 HA ILE A 25 1.271 5.915 -10.744 1.00 0.00 H new ATOM 0 HB ILE A 25 -0.883 4.892 -12.513 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -1.971 6.971 -11.416 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.357 7.355 -10.853 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.432 4.787 -10.606 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -1.161 3.544 -10.507 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -1.063 5.000 -9.489 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.817 8.464 -13.017 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.494 7.273 -13.194 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.146 6.883 -13.766 1.00 0.00 H new ATOM 420 N LYS A 26 1.458 2.763 -11.514 1.00 0.00 N ATOM 421 CA LYS A 26 1.799 1.449 -10.996 1.00 0.00 C ATOM 422 C LYS A 26 3.308 1.377 -10.755 1.00 0.00 C ATOM 423 O LYS A 26 3.750 1.093 -9.642 1.00 0.00 O ATOM 424 CB LYS A 26 1.271 0.353 -11.923 1.00 0.00 C ATOM 425 CG LYS A 26 -0.116 0.710 -12.461 1.00 0.00 C ATOM 426 CD LYS A 26 -0.043 1.130 -13.930 1.00 0.00 C ATOM 427 CE LYS A 26 -0.823 2.424 -14.170 1.00 0.00 C ATOM 428 NZ LYS A 26 -0.198 3.213 -15.255 1.00 0.00 N ATOM 0 H LYS A 26 1.372 2.812 -12.529 1.00 0.00 H new ATOM 0 HA LYS A 26 1.314 1.281 -10.035 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.962 0.211 -12.754 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.223 -0.593 -11.383 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.782 -0.147 -12.357 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.543 1.519 -11.868 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.998 1.270 -14.221 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.446 0.336 -14.559 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.855 2.190 -14.431 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -0.851 3.014 -13.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -0.740 4.088 -15.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 0.779 3.452 -14.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -0.193 2.654 -16.132 1.00 0.00 H new ATOM 442 N SER A 27 4.058 1.638 -11.815 1.00 0.00 N ATOM 443 CA SER A 27 5.508 1.607 -11.733 1.00 0.00 C ATOM 444 C SER A 27 5.994 2.605 -10.681 1.00 0.00 C ATOM 445 O SER A 27 6.546 2.211 -9.655 1.00 0.00 O ATOM 446 CB SER A 27 6.144 1.914 -13.091 1.00 0.00 C ATOM 447 OG SER A 27 5.347 1.440 -14.173 1.00 0.00 O ATOM 0 H SER A 27 3.688 1.872 -12.736 1.00 0.00 H new ATOM 0 HA SER A 27 5.812 0.602 -11.439 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.286 2.990 -13.190 1.00 0.00 H new ATOM 0 HB3 SER A 27 7.132 1.456 -13.141 1.00 0.00 H new ATOM 0 HG SER A 27 5.906 0.921 -14.788 1.00 0.00 H new ATOM 453 N GLN A 28 5.773 3.879 -10.973 1.00 0.00 N ATOM 454 CA GLN A 28 6.181 4.937 -10.065 1.00 0.00 C ATOM 455 C GLN A 28 5.878 4.541 -8.618 1.00 0.00 C ATOM 456 O GLN A 28 6.593 4.937 -7.699 1.00 0.00 O ATOM 457 CB GLN A 28 5.505 6.260 -10.425 1.00 0.00 C ATOM 458 CG GLN A 28 5.734 7.308 -9.334 1.00 0.00 C ATOM 459 CD GLN A 28 7.226 7.600 -9.159 1.00 0.00 C ATOM 460 OE1 GLN A 28 7.864 8.227 -9.989 1.00 0.00 O ATOM 461 NE2 GLN A 28 7.745 7.112 -8.036 1.00 0.00 N ATOM 0 H GLN A 28 5.316 4.202 -11.826 1.00 0.00 H new ATOM 0 HA GLN A 28 7.257 5.079 -10.164 1.00 0.00 H new ATOM 0 HB2 GLN A 28 5.897 6.626 -11.374 1.00 0.00 H new ATOM 0 HB3 GLN A 28 4.435 6.100 -10.562 1.00 0.00 H new ATOM 0 HG2 GLN A 28 5.208 8.227 -9.591 1.00 0.00 H new ATOM 0 HG3 GLN A 28 5.316 6.954 -8.392 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.155 6.596 -7.383 1.00 0.00 H new ATOM 0 HE22 GLN A 28 8.733 7.254 -7.827 1.00 0.00 H new ATOM 470 N LYS A 29 4.815 3.765 -8.461 1.00 0.00 N ATOM 471 CA LYS A 29 4.408 3.312 -7.142 1.00 0.00 C ATOM 472 C LYS A 29 5.599 2.653 -6.443 1.00 0.00 C ATOM 473 O LYS A 29 6.351 3.317 -5.732 1.00 0.00 O ATOM 474 CB LYS A 29 3.177 2.409 -7.242 1.00 0.00 C ATOM 475 CG LYS A 29 1.995 3.006 -6.475 1.00 0.00 C ATOM 476 CD LYS A 29 2.133 2.752 -4.972 1.00 0.00 C ATOM 477 CE LYS A 29 2.842 1.423 -4.704 1.00 0.00 C ATOM 478 NZ LYS A 29 2.174 0.322 -5.433 1.00 0.00 N ATOM 0 H LYS A 29 4.224 3.439 -9.225 1.00 0.00 H new ATOM 0 HA LYS A 29 4.105 4.158 -6.526 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.905 2.274 -8.289 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.412 1.422 -6.844 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.939 4.078 -6.663 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.064 2.570 -6.837 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.693 3.566 -4.512 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.146 2.742 -4.509 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.885 1.492 -5.014 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.840 1.212 -3.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.876 -0.401 -5.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.444 -0.104 -4.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.731 0.696 -6.297 1.00 0.00 H new ATOM 492 N CYS A 30 5.733 1.355 -6.671 1.00 0.00 N ATOM 493 CA CYS A 30 6.820 0.598 -6.073 1.00 0.00 C ATOM 494 C CYS A 30 7.994 0.586 -7.054 1.00 0.00 C ATOM 495 O CYS A 30 9.125 0.892 -6.679 1.00 0.00 O ATOM 496 CB CYS A 30 6.381 -0.816 -5.690 1.00 0.00 C ATOM 497 SG CYS A 30 7.397 -1.431 -4.298 1.00 0.00 S ATOM 0 H CYS A 30 5.107 0.808 -7.262 1.00 0.00 H new ATOM 0 HA CYS A 30 7.130 1.075 -5.143 1.00 0.00 H new ATOM 0 HB2 CYS A 30 5.328 -0.815 -5.410 1.00 0.00 H new ATOM 0 HB3 CYS A 30 6.482 -1.482 -6.547 1.00 0.00 H new ATOM 0 HG CYS A 30 6.926 -0.967 -3.179 1.00 0.00 H new ATOM 503 N LEU A 31 7.685 0.228 -8.292 1.00 0.00 N ATOM 504 CA LEU A 31 8.700 0.171 -9.330 1.00 0.00 C ATOM 505 C LEU A 31 9.738 1.268 -9.083 1.00 0.00 C ATOM 506 O LEU A 31 10.935 1.043 -9.250 1.00 0.00 O ATOM 507 CB LEU A 31 8.054 0.236 -10.716 1.00 0.00 C ATOM 508 CG LEU A 31 7.403 -1.056 -11.214 1.00 0.00 C ATOM 509 CD1 LEU A 31 8.454 -2.141 -11.457 1.00 0.00 C ATOM 510 CD2 LEU A 31 6.308 -1.524 -10.254 1.00 0.00 C ATOM 0 H LEU A 31 6.746 -0.025 -8.599 1.00 0.00 H new ATOM 0 HA LEU A 31 9.228 -0.782 -9.295 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.297 1.020 -10.706 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.815 0.537 -11.436 1.00 0.00 H new ATOM 0 HG LEU A 31 6.925 -0.850 -12.172 1.00 0.00 H new ATOM 0 HD11 LEU A 31 7.965 -3.049 -11.810 1.00 0.00 H new ATOM 0 HD12 LEU A 31 9.166 -1.797 -12.207 1.00 0.00 H new ATOM 0 HD13 LEU A 31 8.981 -2.352 -10.527 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.862 -2.444 -10.632 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.740 -1.708 -9.270 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.540 -0.754 -10.175 1.00 0.00 H new ATOM 522 N GLN A 32 9.240 2.431 -8.689 1.00 0.00 N ATOM 523 CA GLN A 32 10.110 3.563 -8.418 1.00 0.00 C ATOM 524 C GLN A 32 10.722 3.439 -7.021 1.00 0.00 C ATOM 525 O GLN A 32 11.909 3.701 -6.834 1.00 0.00 O ATOM 526 CB GLN A 32 9.353 4.884 -8.569 1.00 0.00 C ATOM 527 CG GLN A 32 9.472 5.423 -9.996 1.00 0.00 C ATOM 528 CD GLN A 32 10.918 5.805 -10.319 1.00 0.00 C ATOM 529 OE1 GLN A 32 11.621 5.121 -11.045 1.00 0.00 O ATOM 530 NE2 GLN A 32 11.321 6.934 -9.742 1.00 0.00 N ATOM 0 H GLN A 32 8.246 2.614 -8.551 1.00 0.00 H new ATOM 0 HA GLN A 32 10.918 3.559 -9.149 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.303 4.736 -8.319 1.00 0.00 H new ATOM 0 HB3 GLN A 32 9.748 5.617 -7.865 1.00 0.00 H new ATOM 0 HG2 GLN A 32 9.124 4.670 -10.703 1.00 0.00 H new ATOM 0 HG3 GLN A 32 8.827 6.294 -10.115 1.00 0.00 H new ATOM 0 HE21 GLN A 32 10.681 7.458 -9.145 1.00 0.00 H new ATOM 0 HE22 GLN A 32 12.270 7.275 -9.896 1.00 0.00 H new ATOM 539 N LEU A 33 9.884 3.039 -6.076 1.00 0.00 N ATOM 540 CA LEU A 33 10.328 2.877 -4.702 1.00 0.00 C ATOM 541 C LEU A 33 11.500 1.894 -4.661 1.00 0.00 C ATOM 542 O LEU A 33 12.474 2.113 -3.943 1.00 0.00 O ATOM 543 CB LEU A 33 9.156 2.475 -3.804 1.00 0.00 C ATOM 544 CG LEU A 33 9.238 2.937 -2.347 1.00 0.00 C ATOM 545 CD1 LEU A 33 8.426 2.016 -1.434 1.00 0.00 C ATOM 546 CD2 LEU A 33 10.693 3.059 -1.891 1.00 0.00 C ATOM 0 H LEU A 33 8.900 2.822 -6.235 1.00 0.00 H new ATOM 0 HA LEU A 33 10.693 3.825 -4.306 1.00 0.00 H new ATOM 0 HB2 LEU A 33 8.238 2.871 -4.239 1.00 0.00 H new ATOM 0 HB3 LEU A 33 9.071 1.388 -3.816 1.00 0.00 H new ATOM 0 HG LEU A 33 8.795 3.931 -2.278 1.00 0.00 H new ATOM 0 HD11 LEU A 33 8.501 2.366 -0.404 1.00 0.00 H new ATOM 0 HD12 LEU A 33 7.381 2.024 -1.745 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.817 1.001 -1.501 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.722 3.389 -0.853 1.00 0.00 H new ATOM 0 HD22 LEU A 33 11.184 2.090 -1.978 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.211 3.786 -2.517 1.00 0.00 H new ATOM 558 N LEU A 34 11.366 0.831 -5.441 1.00 0.00 N ATOM 559 CA LEU A 34 12.401 -0.186 -5.504 1.00 0.00 C ATOM 560 C LEU A 34 13.506 0.274 -6.457 1.00 0.00 C ATOM 561 O LEU A 34 14.611 -0.267 -6.440 1.00 0.00 O ATOM 562 CB LEU A 34 11.798 -1.543 -5.872 1.00 0.00 C ATOM 563 CG LEU A 34 10.302 -1.709 -5.595 1.00 0.00 C ATOM 564 CD1 LEU A 34 9.499 -1.697 -6.897 1.00 0.00 C ATOM 565 CD2 LEU A 34 10.034 -2.967 -4.767 1.00 0.00 C ATOM 0 H LEU A 34 10.556 0.652 -6.035 1.00 0.00 H new ATOM 0 HA LEU A 34 12.860 -0.322 -4.525 1.00 0.00 H new ATOM 0 HB2 LEU A 34 11.973 -1.720 -6.933 1.00 0.00 H new ATOM 0 HB3 LEU A 34 12.337 -2.318 -5.326 1.00 0.00 H new ATOM 0 HG LEU A 34 9.967 -0.857 -5.003 1.00 0.00 H new ATOM 0 HD11 LEU A 34 8.439 -1.817 -6.672 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.656 -0.749 -7.412 1.00 0.00 H new ATOM 0 HD13 LEU A 34 9.829 -2.516 -7.536 1.00 0.00 H new ATOM 0 HD21 LEU A 34 8.964 -3.061 -4.584 1.00 0.00 H new ATOM 0 HD22 LEU A 34 10.388 -3.843 -5.311 1.00 0.00 H new ATOM 0 HD23 LEU A 34 10.560 -2.895 -3.815 1.00 0.00 H new ATOM 577 N LYS A 35 13.169 1.268 -7.266 1.00 0.00 N ATOM 578 CA LYS A 35 14.119 1.807 -8.225 1.00 0.00 C ATOM 579 C LYS A 35 15.327 2.375 -7.476 1.00 0.00 C ATOM 580 O LYS A 35 16.317 2.763 -8.093 1.00 0.00 O ATOM 581 CB LYS A 35 13.435 2.820 -9.145 1.00 0.00 C ATOM 582 CG LYS A 35 14.317 3.150 -10.350 1.00 0.00 C ATOM 583 CD LYS A 35 13.752 2.530 -11.630 1.00 0.00 C ATOM 584 CE LYS A 35 14.211 3.307 -12.865 1.00 0.00 C ATOM 585 NZ LYS A 35 13.463 4.578 -12.985 1.00 0.00 N ATOM 0 H LYS A 35 12.252 1.714 -7.277 1.00 0.00 H new ATOM 0 HA LYS A 35 14.490 1.017 -8.878 1.00 0.00 H new ATOM 0 HB2 LYS A 35 12.481 2.419 -9.487 1.00 0.00 H new ATOM 0 HB3 LYS A 35 13.217 3.732 -8.589 1.00 0.00 H new ATOM 0 HG2 LYS A 35 14.389 4.231 -10.467 1.00 0.00 H new ATOM 0 HG3 LYS A 35 15.328 2.780 -10.178 1.00 0.00 H new ATOM 0 HD2 LYS A 35 14.075 1.492 -11.709 1.00 0.00 H new ATOM 0 HD3 LYS A 35 12.663 2.523 -11.585 1.00 0.00 H new ATOM 0 HE2 LYS A 35 15.279 3.512 -12.797 1.00 0.00 H new ATOM 0 HE3 LYS A 35 14.059 2.703 -13.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.114 4.685 -13.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.657 4.570 -12.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 14.091 5.374 -12.753 1.00 0.00 H new ATOM 599 N GLY A 36 15.204 2.404 -6.157 1.00 0.00 N ATOM 600 CA GLY A 36 16.274 2.917 -5.318 1.00 0.00 C ATOM 601 C GLY A 36 16.053 2.534 -3.853 1.00 0.00 C ATOM 602 O GLY A 36 15.115 3.014 -3.217 1.00 0.00 O ATOM 0 H GLY A 36 14.381 2.081 -5.649 1.00 0.00 H new ATOM 0 HA2 GLY A 36 17.231 2.522 -5.661 1.00 0.00 H new ATOM 0 HA3 GLY A 36 16.325 4.002 -5.410 1.00 0.00 H new ATOM 606 N ASP A 37 16.932 1.674 -3.360 1.00 0.00 N ATOM 607 CA ASP A 37 16.844 1.222 -1.982 1.00 0.00 C ATOM 608 C ASP A 37 17.901 0.143 -1.736 1.00 0.00 C ATOM 609 O ASP A 37 18.855 0.361 -0.991 1.00 0.00 O ATOM 610 CB ASP A 37 15.471 0.615 -1.688 1.00 0.00 C ATOM 611 CG ASP A 37 15.016 0.722 -0.231 1.00 0.00 C ATOM 612 OD1 ASP A 37 15.760 0.215 0.635 1.00 0.00 O ATOM 613 OD2 ASP A 37 13.933 1.308 -0.017 1.00 0.00 O ATOM 0 H ASP A 37 17.708 1.278 -3.890 1.00 0.00 H new ATOM 0 HA ASP A 37 17.003 2.083 -1.333 1.00 0.00 H new ATOM 0 HB2 ASP A 37 14.731 1.104 -2.321 1.00 0.00 H new ATOM 0 HB3 ASP A 37 15.487 -0.437 -1.972 1.00 0.00 H new ATOM 618 N VAL A 38 17.695 -0.999 -2.377 1.00 0.00 N ATOM 619 CA VAL A 38 18.618 -2.112 -2.237 1.00 0.00 C ATOM 620 C VAL A 38 18.560 -2.978 -3.497 1.00 0.00 C ATOM 621 O VAL A 38 18.377 -2.465 -4.600 1.00 0.00 O ATOM 622 CB VAL A 38 18.306 -2.893 -0.960 1.00 0.00 C ATOM 623 CG1 VAL A 38 19.540 -3.649 -0.463 1.00 0.00 C ATOM 624 CG2 VAL A 38 17.755 -1.969 0.128 1.00 0.00 C ATOM 0 H VAL A 38 16.903 -1.177 -2.994 1.00 0.00 H new ATOM 0 HA VAL A 38 19.641 -1.750 -2.138 1.00 0.00 H new ATOM 0 HB VAL A 38 17.536 -3.627 -1.198 1.00 0.00 H new ATOM 0 HG11 VAL A 38 19.290 -4.196 0.446 1.00 0.00 H new ATOM 0 HG12 VAL A 38 19.870 -4.351 -1.229 1.00 0.00 H new ATOM 0 HG13 VAL A 38 20.340 -2.940 -0.251 1.00 0.00 H new ATOM 0 HG21 VAL A 38 17.542 -2.550 1.025 1.00 0.00 H new ATOM 0 HG22 VAL A 38 18.492 -1.200 0.360 1.00 0.00 H new ATOM 0 HG23 VAL A 38 16.838 -1.497 -0.225 1.00 0.00 H new ATOM 634 N SER A 39 18.719 -4.277 -3.291 1.00 0.00 N ATOM 635 CA SER A 39 18.687 -5.220 -4.397 1.00 0.00 C ATOM 636 C SER A 39 17.330 -5.925 -4.444 1.00 0.00 C ATOM 637 O SER A 39 16.307 -5.335 -4.097 1.00 0.00 O ATOM 638 CB SER A 39 19.815 -6.247 -4.278 1.00 0.00 C ATOM 639 OG SER A 39 20.311 -6.644 -5.553 1.00 0.00 O ATOM 0 H SER A 39 18.870 -4.699 -2.375 1.00 0.00 H new ATOM 0 HA SER A 39 18.834 -4.665 -5.324 1.00 0.00 H new ATOM 0 HB2 SER A 39 20.629 -5.825 -3.688 1.00 0.00 H new ATOM 0 HB3 SER A 39 19.452 -7.123 -3.741 1.00 0.00 H new ATOM 0 HG SER A 39 21.031 -7.299 -5.435 1.00 0.00 H new ATOM 645 N HIS A 40 17.364 -7.177 -4.876 1.00 0.00 N ATOM 646 CA HIS A 40 16.149 -7.969 -4.973 1.00 0.00 C ATOM 647 C HIS A 40 16.377 -9.338 -4.330 1.00 0.00 C ATOM 648 O HIS A 40 17.490 -9.861 -4.352 1.00 0.00 O ATOM 649 CB HIS A 40 15.679 -8.066 -6.425 1.00 0.00 C ATOM 650 CG HIS A 40 14.850 -9.293 -6.721 1.00 0.00 C ATOM 651 ND1 HIS A 40 15.322 -10.580 -6.533 1.00 0.00 N ATOM 652 CD2 HIS A 40 13.576 -9.415 -7.193 1.00 0.00 C ATOM 653 CE1 HIS A 40 14.367 -11.431 -6.879 1.00 0.00 C ATOM 654 NE2 HIS A 40 13.286 -10.707 -7.288 1.00 0.00 N ATOM 0 H HIS A 40 18.214 -7.663 -5.163 1.00 0.00 H new ATOM 0 HA HIS A 40 15.345 -7.478 -4.424 1.00 0.00 H new ATOM 0 HB2 HIS A 40 15.095 -7.178 -6.667 1.00 0.00 H new ATOM 0 HB3 HIS A 40 16.551 -8.062 -7.079 1.00 0.00 H new ATOM 0 HD2 HIS A 40 12.915 -8.599 -7.446 1.00 0.00 H new ATOM 0 HE1 HIS A 40 14.433 -12.508 -6.843 1.00 0.00 H new ATOM 0 HE2 HIS A 40 12.400 -11.094 -7.613 1.00 0.00 H new ATOM 662 N ARG A 41 15.304 -9.880 -3.773 1.00 0.00 N ATOM 663 CA ARG A 41 15.372 -11.179 -3.125 1.00 0.00 C ATOM 664 C ARG A 41 14.010 -11.874 -3.183 1.00 0.00 C ATOM 665 O ARG A 41 13.930 -13.067 -3.473 1.00 0.00 O ATOM 666 CB ARG A 41 15.806 -11.044 -1.664 1.00 0.00 C ATOM 667 CG ARG A 41 16.558 -9.731 -1.435 1.00 0.00 C ATOM 668 CD ARG A 41 18.026 -9.862 -1.844 1.00 0.00 C ATOM 669 NE ARG A 41 18.881 -9.961 -0.639 1.00 0.00 N ATOM 670 CZ ARG A 41 20.220 -9.960 -0.666 1.00 0.00 C ATOM 671 NH1 ARG A 41 20.867 -9.867 -1.836 1.00 0.00 N ATOM 672 NH2 ARG A 41 20.913 -10.054 0.477 1.00 0.00 N ATOM 0 H ARG A 41 14.382 -9.443 -3.757 1.00 0.00 H new ATOM 0 HA ARG A 41 16.111 -11.777 -3.658 1.00 0.00 H new ATOM 0 HB2 ARG A 41 14.931 -11.084 -1.016 1.00 0.00 H new ATOM 0 HB3 ARG A 41 16.444 -11.885 -1.391 1.00 0.00 H new ATOM 0 HG2 ARG A 41 16.087 -8.933 -2.009 1.00 0.00 H new ATOM 0 HG3 ARG A 41 16.493 -9.449 -0.384 1.00 0.00 H new ATOM 0 HD2 ARG A 41 18.160 -10.745 -2.469 1.00 0.00 H new ATOM 0 HD3 ARG A 41 18.324 -9.000 -2.441 1.00 0.00 H new ATOM 0 HE ARG A 41 18.421 -10.035 0.269 1.00 0.00 H new ATOM 0 HH11 ARG A 41 20.340 -9.797 -2.706 1.00 0.00 H new ATOM 0 HH12 ARG A 41 21.887 -9.866 -1.856 1.00 0.00 H new ATOM 0 HH21 ARG A 41 20.421 -10.126 1.367 1.00 0.00 H new ATOM 0 HH22 ARG A 41 21.933 -10.053 0.457 1.00 0.00 H new ATOM 686 N PHE A 42 12.974 -11.098 -2.903 1.00 0.00 N ATOM 687 CA PHE A 42 11.619 -11.624 -2.920 1.00 0.00 C ATOM 688 C PHE A 42 10.818 -11.038 -4.084 1.00 0.00 C ATOM 689 O PHE A 42 11.321 -10.197 -4.828 1.00 0.00 O ATOM 690 CB PHE A 42 10.961 -11.208 -1.603 1.00 0.00 C ATOM 691 CG PHE A 42 11.953 -10.939 -0.470 1.00 0.00 C ATOM 692 CD1 PHE A 42 12.708 -9.807 -0.481 1.00 0.00 C ATOM 693 CD2 PHE A 42 12.080 -11.831 0.549 1.00 0.00 C ATOM 694 CE1 PHE A 42 13.629 -9.558 0.571 1.00 0.00 C ATOM 695 CE2 PHE A 42 13.001 -11.581 1.601 1.00 0.00 C ATOM 696 CZ PHE A 42 13.756 -10.450 1.590 1.00 0.00 C ATOM 0 H PHE A 42 13.045 -10.109 -2.663 1.00 0.00 H new ATOM 0 HA PHE A 42 11.642 -12.707 -3.039 1.00 0.00 H new ATOM 0 HB2 PHE A 42 10.367 -10.310 -1.773 1.00 0.00 H new ATOM 0 HB3 PHE A 42 10.271 -11.992 -1.290 1.00 0.00 H new ATOM 0 HD1 PHE A 42 12.607 -9.098 -1.289 1.00 0.00 H new ATOM 0 HD2 PHE A 42 11.481 -12.729 0.558 1.00 0.00 H new ATOM 0 HE1 PHE A 42 14.229 -8.660 0.562 1.00 0.00 H new ATOM 0 HE2 PHE A 42 13.102 -12.289 2.410 1.00 0.00 H new ATOM 0 HZ PHE A 42 14.456 -10.260 2.390 1.00 0.00 H new ATOM 706 N ASP A 43 9.584 -11.505 -4.206 1.00 0.00 N ATOM 707 CA ASP A 43 8.708 -11.038 -5.267 1.00 0.00 C ATOM 708 C ASP A 43 7.822 -9.911 -4.732 1.00 0.00 C ATOM 709 O ASP A 43 7.046 -10.117 -3.799 1.00 0.00 O ATOM 710 CB ASP A 43 7.797 -12.161 -5.764 1.00 0.00 C ATOM 711 CG ASP A 43 8.365 -12.993 -6.916 1.00 0.00 C ATOM 712 OD1 ASP A 43 8.813 -12.367 -7.900 1.00 0.00 O ATOM 713 OD2 ASP A 43 8.337 -14.236 -6.785 1.00 0.00 O ATOM 0 H ASP A 43 9.170 -12.202 -3.587 1.00 0.00 H new ATOM 0 HA ASP A 43 9.332 -10.690 -6.090 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.577 -12.826 -4.929 1.00 0.00 H new ATOM 0 HB3 ASP A 43 6.850 -11.726 -6.083 1.00 0.00 H new ATOM 718 N VAL A 44 7.966 -8.746 -5.345 1.00 0.00 N ATOM 719 CA VAL A 44 7.187 -7.587 -4.942 1.00 0.00 C ATOM 720 C VAL A 44 5.878 -7.556 -5.733 1.00 0.00 C ATOM 721 O VAL A 44 5.866 -7.838 -6.931 1.00 0.00 O ATOM 722 CB VAL A 44 8.019 -6.314 -5.112 1.00 0.00 C ATOM 723 CG1 VAL A 44 7.169 -5.067 -4.857 1.00 0.00 C ATOM 724 CG2 VAL A 44 9.247 -6.336 -4.200 1.00 0.00 C ATOM 0 H VAL A 44 8.610 -8.579 -6.118 1.00 0.00 H new ATOM 0 HA VAL A 44 6.926 -7.651 -3.886 1.00 0.00 H new ATOM 0 HB VAL A 44 8.369 -6.277 -6.144 1.00 0.00 H new ATOM 0 HG11 VAL A 44 7.783 -4.176 -4.984 1.00 0.00 H new ATOM 0 HG12 VAL A 44 6.340 -5.041 -5.565 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.777 -5.096 -3.840 1.00 0.00 H new ATOM 0 HG21 VAL A 44 9.821 -5.420 -4.340 1.00 0.00 H new ATOM 0 HG22 VAL A 44 8.927 -6.408 -3.161 1.00 0.00 H new ATOM 0 HG23 VAL A 44 9.869 -7.196 -4.448 1.00 0.00 H new ATOM 734 N GLU A 45 4.808 -7.212 -5.033 1.00 0.00 N ATOM 735 CA GLU A 45 3.497 -7.141 -5.655 1.00 0.00 C ATOM 736 C GLU A 45 3.085 -5.681 -5.859 1.00 0.00 C ATOM 737 O GLU A 45 2.866 -4.953 -4.893 1.00 0.00 O ATOM 738 CB GLU A 45 2.455 -7.894 -4.826 1.00 0.00 C ATOM 739 CG GLU A 45 1.937 -9.121 -5.579 1.00 0.00 C ATOM 740 CD GLU A 45 2.352 -10.413 -4.872 1.00 0.00 C ATOM 741 OE1 GLU A 45 2.031 -10.530 -3.670 1.00 0.00 O ATOM 742 OE2 GLU A 45 2.980 -11.255 -5.550 1.00 0.00 O ATOM 0 H GLU A 45 4.822 -6.979 -4.040 1.00 0.00 H new ATOM 0 HA GLU A 45 3.553 -7.623 -6.631 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.894 -8.204 -3.878 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.624 -7.230 -4.590 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.850 -9.075 -5.653 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.326 -9.118 -6.597 1.00 0.00 H new ATOM 749 N ILE A 46 2.992 -5.298 -7.124 1.00 0.00 N ATOM 750 CA ILE A 46 2.610 -3.939 -7.468 1.00 0.00 C ATOM 751 C ILE A 46 1.303 -3.966 -8.263 1.00 0.00 C ATOM 752 O ILE A 46 1.307 -4.247 -9.461 1.00 0.00 O ATOM 753 CB ILE A 46 3.755 -3.227 -8.191 1.00 0.00 C ATOM 754 CG1 ILE A 46 5.081 -3.435 -7.456 1.00 0.00 C ATOM 755 CG2 ILE A 46 3.438 -1.744 -8.393 1.00 0.00 C ATOM 756 CD1 ILE A 46 5.575 -4.874 -7.614 1.00 0.00 C ATOM 0 H ILE A 46 3.175 -5.905 -7.923 1.00 0.00 H new ATOM 0 HA ILE A 46 2.422 -3.357 -6.566 1.00 0.00 H new ATOM 0 HB ILE A 46 3.862 -3.671 -9.181 1.00 0.00 H new ATOM 0 HG12 ILE A 46 5.829 -2.745 -7.846 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.955 -3.204 -6.398 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.268 -1.262 -8.909 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.532 -1.644 -8.990 1.00 0.00 H new ATOM 0 HG23 ILE A 46 3.288 -1.269 -7.424 1.00 0.00 H new ATOM 0 HD11 ILE A 46 6.519 -4.995 -7.082 1.00 0.00 H new ATOM 0 HD12 ILE A 46 4.835 -5.560 -7.201 1.00 0.00 H new ATOM 0 HD13 ILE A 46 5.723 -5.094 -8.671 1.00 0.00 H new ATOM 768 N ALA A 47 0.216 -3.671 -7.565 1.00 0.00 N ATOM 769 CA ALA A 47 -1.095 -3.659 -8.192 1.00 0.00 C ATOM 770 C ALA A 47 -1.906 -2.483 -7.643 1.00 0.00 C ATOM 771 O ALA A 47 -1.841 -2.181 -6.453 1.00 0.00 O ATOM 772 CB ALA A 47 -1.786 -5.004 -7.957 1.00 0.00 C ATOM 0 H ALA A 47 0.216 -3.439 -6.572 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.004 -3.523 -9.270 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.769 -4.995 -8.427 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.184 -5.803 -8.390 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.898 -5.174 -6.886 1.00 0.00 H new ATOM 778 N ASN A 48 -2.652 -1.852 -8.538 1.00 0.00 N ATOM 779 CA ASN A 48 -3.475 -0.716 -8.159 1.00 0.00 C ATOM 780 C ASN A 48 -4.923 -1.177 -7.985 1.00 0.00 C ATOM 781 O ASN A 48 -5.553 -1.631 -8.939 1.00 0.00 O ATOM 782 CB ASN A 48 -3.450 0.367 -9.239 1.00 0.00 C ATOM 783 CG ASN A 48 -3.704 -0.233 -10.623 1.00 0.00 C ATOM 784 OD1 ASN A 48 -4.785 -0.139 -11.180 1.00 0.00 O ATOM 785 ND2 ASN A 48 -2.649 -0.853 -11.146 1.00 0.00 N ATOM 0 H ASN A 48 -2.704 -2.106 -9.525 1.00 0.00 H new ATOM 0 HA ASN A 48 -3.078 -0.307 -7.230 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -4.207 1.121 -9.021 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -2.485 0.873 -9.230 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -2.717 -1.286 -12.067 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -1.773 -0.895 -10.626 1.00 0.00 H new ATOM 792 N ARG A 49 -5.410 -1.044 -6.760 1.00 0.00 N ATOM 793 CA ARG A 49 -6.772 -1.440 -6.448 1.00 0.00 C ATOM 794 C ARG A 49 -7.190 -0.881 -5.087 1.00 0.00 C ATOM 795 O ARG A 49 -6.343 -0.600 -4.240 1.00 0.00 O ATOM 796 CB ARG A 49 -6.912 -2.964 -6.430 1.00 0.00 C ATOM 797 CG ARG A 49 -8.216 -3.403 -7.098 1.00 0.00 C ATOM 798 CD ARG A 49 -8.021 -3.604 -8.602 1.00 0.00 C ATOM 799 NE ARG A 49 -8.277 -5.017 -8.962 1.00 0.00 N ATOM 800 CZ ARG A 49 -8.463 -5.451 -10.216 1.00 0.00 C ATOM 801 NH1 ARG A 49 -8.423 -4.585 -11.237 1.00 0.00 N ATOM 802 NH2 ARG A 49 -8.689 -6.751 -10.448 1.00 0.00 N ATOM 0 H ARG A 49 -4.885 -0.667 -5.971 1.00 0.00 H new ATOM 0 HA ARG A 49 -7.420 -1.035 -7.225 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.065 -3.417 -6.946 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.888 -3.323 -5.401 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -8.566 -4.331 -6.646 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -8.988 -2.653 -6.925 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -8.696 -2.951 -9.155 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -7.006 -3.326 -8.886 1.00 0.00 H new ATOM 0 HE ARG A 49 -8.314 -5.703 -8.208 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -8.251 -3.595 -11.060 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -8.565 -4.915 -12.192 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -8.719 -7.410 -9.670 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -8.831 -7.082 -11.402 1.00 0.00 H new ATOM 816 N PHE A 50 -8.496 -0.736 -4.918 1.00 0.00 N ATOM 817 CA PHE A 50 -9.037 -0.215 -3.674 1.00 0.00 C ATOM 818 C PHE A 50 -8.838 -1.212 -2.530 1.00 0.00 C ATOM 819 O PHE A 50 -9.470 -2.267 -2.504 1.00 0.00 O ATOM 820 CB PHE A 50 -10.536 0.000 -3.892 1.00 0.00 C ATOM 821 CG PHE A 50 -11.364 -1.285 -3.833 1.00 0.00 C ATOM 822 CD1 PHE A 50 -10.929 -2.404 -4.473 1.00 0.00 C ATOM 823 CD2 PHE A 50 -12.534 -1.309 -3.140 1.00 0.00 C ATOM 824 CE1 PHE A 50 -11.698 -3.597 -4.417 1.00 0.00 C ATOM 825 CE2 PHE A 50 -13.302 -2.502 -3.085 1.00 0.00 C ATOM 826 CZ PHE A 50 -12.868 -3.621 -3.725 1.00 0.00 C ATOM 0 H PHE A 50 -9.196 -0.970 -5.622 1.00 0.00 H new ATOM 0 HA PHE A 50 -8.528 0.711 -3.407 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -10.907 0.694 -3.137 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -10.687 0.473 -4.862 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -10.000 -2.385 -5.023 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -12.879 -0.421 -2.632 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -11.353 -4.486 -4.925 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -14.231 -2.521 -2.535 1.00 0.00 H new ATOM 0 HZ PHE A 50 -13.453 -4.528 -3.683 1.00 0.00 H new ATOM 836 N PRO A 51 -7.934 -0.832 -1.587 1.00 0.00 N ATOM 837 CA PRO A 51 -7.644 -1.680 -0.443 1.00 0.00 C ATOM 838 C PRO A 51 -8.782 -1.631 0.578 1.00 0.00 C ATOM 839 O PRO A 51 -8.570 -1.263 1.732 1.00 0.00 O ATOM 840 CB PRO A 51 -6.328 -1.159 0.109 1.00 0.00 C ATOM 841 CG PRO A 51 -6.164 0.243 -0.455 1.00 0.00 C ATOM 842 CD PRO A 51 -7.167 0.411 -1.585 1.00 0.00 C ATOM 0 HA PRO A 51 -7.559 -2.733 -0.711 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -6.341 -1.142 1.199 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -5.498 -1.800 -0.190 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -6.335 0.989 0.321 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -5.148 0.391 -0.821 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -7.812 1.274 -1.417 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -6.665 0.568 -2.540 1.00 0.00 H new ATOM 850 N THR A 52 -9.966 -2.007 0.116 1.00 0.00 N ATOM 851 CA THR A 52 -11.138 -2.011 0.975 1.00 0.00 C ATOM 852 C THR A 52 -10.942 -2.982 2.141 1.00 0.00 C ATOM 853 O THR A 52 -10.039 -3.817 2.112 1.00 0.00 O ATOM 854 CB THR A 52 -12.357 -2.337 0.110 1.00 0.00 C ATOM 855 OG1 THR A 52 -11.799 -2.786 -1.121 1.00 0.00 O ATOM 856 CG2 THR A 52 -13.153 -1.088 -0.275 1.00 0.00 C ATOM 0 H THR A 52 -10.139 -2.311 -0.842 1.00 0.00 H new ATOM 0 HA THR A 52 -11.297 -1.034 1.431 1.00 0.00 H new ATOM 0 HB THR A 52 -13.006 -3.030 0.645 1.00 0.00 H new ATOM 0 HG1 THR A 52 -12.417 -2.583 -1.854 1.00 0.00 H new ATOM 0 HG21 THR A 52 -14.007 -1.376 -0.888 1.00 0.00 H new ATOM 0 HG22 THR A 52 -13.506 -0.589 0.627 1.00 0.00 H new ATOM 0 HG23 THR A 52 -12.514 -0.409 -0.839 1.00 0.00 H new ATOM 864 N TRP A 53 -11.802 -2.841 3.138 1.00 0.00 N ATOM 865 CA TRP A 53 -11.735 -3.696 4.311 1.00 0.00 C ATOM 866 C TRP A 53 -12.149 -5.108 3.891 1.00 0.00 C ATOM 867 O TRP A 53 -11.792 -6.084 4.549 1.00 0.00 O ATOM 868 CB TRP A 53 -12.592 -3.135 5.448 1.00 0.00 C ATOM 869 CG TRP A 53 -12.998 -1.672 5.258 1.00 0.00 C ATOM 870 CD1 TRP A 53 -14.219 -1.181 5.009 1.00 0.00 C ATOM 871 CD2 TRP A 53 -12.125 -0.524 5.312 1.00 0.00 C ATOM 872 NE1 TRP A 53 -14.198 0.195 4.899 1.00 0.00 N ATOM 873 CE2 TRP A 53 -12.884 0.607 5.090 1.00 0.00 C ATOM 874 CE3 TRP A 53 -10.741 -0.443 5.542 1.00 0.00 C ATOM 875 CZ2 TRP A 53 -12.348 1.900 5.075 1.00 0.00 C ATOM 876 CZ3 TRP A 53 -10.219 0.856 5.524 1.00 0.00 C ATOM 877 CH2 TRP A 53 -10.970 2.005 5.301 1.00 0.00 C ATOM 0 H TRP A 53 -12.549 -2.147 3.158 1.00 0.00 H new ATOM 0 HA TRP A 53 -10.719 -3.733 4.704 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -13.492 -3.742 5.544 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -12.042 -3.230 6.384 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -15.108 -1.785 4.907 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -14.999 0.798 4.712 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -10.128 -1.314 5.719 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -12.964 2.770 4.899 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -9.159 0.974 5.695 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -10.493 2.974 5.302 1.00 0.00 H new ATOM 888 N ASP A 54 -12.896 -5.171 2.799 1.00 0.00 N ATOM 889 CA ASP A 54 -13.362 -6.447 2.284 1.00 0.00 C ATOM 890 C ASP A 54 -12.187 -7.426 2.219 1.00 0.00 C ATOM 891 O ASP A 54 -12.234 -8.498 2.820 1.00 0.00 O ATOM 892 CB ASP A 54 -13.930 -6.297 0.871 1.00 0.00 C ATOM 893 CG ASP A 54 -15.415 -5.936 0.807 1.00 0.00 C ATOM 894 OD1 ASP A 54 -15.927 -5.451 1.839 1.00 0.00 O ATOM 895 OD2 ASP A 54 -16.006 -6.153 -0.273 1.00 0.00 O ATOM 0 H ASP A 54 -13.190 -4.359 2.256 1.00 0.00 H new ATOM 0 HA ASP A 54 -14.143 -6.814 2.950 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -13.362 -5.529 0.347 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -13.775 -7.232 0.332 1.00 0.00 H new ATOM 900 N GLN A 55 -11.161 -7.021 1.484 1.00 0.00 N ATOM 901 CA GLN A 55 -9.977 -7.849 1.333 1.00 0.00 C ATOM 902 C GLN A 55 -9.019 -7.625 2.505 1.00 0.00 C ATOM 903 O GLN A 55 -8.599 -8.578 3.160 1.00 0.00 O ATOM 904 CB GLN A 55 -9.282 -7.575 -0.002 1.00 0.00 C ATOM 905 CG GLN A 55 -9.566 -8.693 -1.008 1.00 0.00 C ATOM 906 CD GLN A 55 -9.517 -8.165 -2.443 1.00 0.00 C ATOM 907 OE1 GLN A 55 -9.207 -7.013 -2.698 1.00 0.00 O ATOM 908 NE2 GLN A 55 -9.840 -9.069 -3.363 1.00 0.00 N ATOM 0 H GLN A 55 -11.126 -6.131 0.987 1.00 0.00 H new ATOM 0 HA GLN A 55 -10.287 -8.894 1.336 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -9.625 -6.622 -0.406 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -8.207 -7.487 0.155 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -8.834 -9.492 -0.885 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -10.547 -9.126 -0.809 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -10.090 -10.017 -3.081 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -9.838 -8.815 -4.351 1.00 0.00 H new ATOM 917 N LEU A 56 -8.702 -6.359 2.735 1.00 0.00 N ATOM 918 CA LEU A 56 -7.802 -5.997 3.816 1.00 0.00 C ATOM 919 C LEU A 56 -8.336 -6.569 5.131 1.00 0.00 C ATOM 920 O LEU A 56 -7.590 -6.709 6.099 1.00 0.00 O ATOM 921 CB LEU A 56 -7.584 -4.483 3.848 1.00 0.00 C ATOM 922 CG LEU A 56 -6.991 -3.918 5.140 1.00 0.00 C ATOM 923 CD1 LEU A 56 -5.755 -3.065 4.849 1.00 0.00 C ATOM 924 CD2 LEU A 56 -8.045 -3.146 5.936 1.00 0.00 C ATOM 0 H LEU A 56 -9.053 -5.571 2.191 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.817 -6.434 3.654 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.927 -4.213 3.021 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.541 -3.994 3.667 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.667 -4.754 5.760 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.353 -2.676 5.784 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.999 -3.676 4.356 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.031 -2.235 4.199 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -7.597 -2.755 6.850 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -8.422 -2.319 5.334 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -8.868 -3.813 6.192 1.00 0.00 H new ATOM 936 N GLN A 57 -9.623 -6.885 5.123 1.00 0.00 N ATOM 937 CA GLN A 57 -10.265 -7.439 6.303 1.00 0.00 C ATOM 938 C GLN A 57 -9.303 -8.370 7.043 1.00 0.00 C ATOM 939 O GLN A 57 -9.366 -8.490 8.265 1.00 0.00 O ATOM 940 CB GLN A 57 -11.557 -8.168 5.932 1.00 0.00 C ATOM 941 CG GLN A 57 -11.709 -9.459 6.738 1.00 0.00 C ATOM 942 CD GLN A 57 -11.777 -9.164 8.238 1.00 0.00 C ATOM 943 OE1 GLN A 57 -11.776 -8.025 8.674 1.00 0.00 O ATOM 944 NE2 GLN A 57 -11.837 -10.252 9.001 1.00 0.00 N ATOM 0 H GLN A 57 -10.238 -6.768 4.318 1.00 0.00 H new ATOM 0 HA GLN A 57 -10.528 -6.617 6.969 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -12.412 -7.517 6.116 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -11.556 -8.398 4.867 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -12.612 -9.983 6.425 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -10.869 -10.122 6.532 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -11.834 -11.177 8.571 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -11.886 -10.161 10.016 1.00 0.00 H new ATOM 953 N TYR A 58 -8.433 -9.006 6.271 1.00 0.00 N ATOM 954 CA TYR A 58 -7.459 -9.923 6.838 1.00 0.00 C ATOM 955 C TYR A 58 -6.386 -9.166 7.622 1.00 0.00 C ATOM 956 O TYR A 58 -6.107 -9.494 8.774 1.00 0.00 O ATOM 957 CB TYR A 58 -6.803 -10.629 5.650 1.00 0.00 C ATOM 958 CG TYR A 58 -7.675 -11.712 5.010 1.00 0.00 C ATOM 959 CD1 TYR A 58 -8.106 -12.785 5.764 1.00 0.00 C ATOM 960 CD2 TYR A 58 -8.031 -11.615 3.680 1.00 0.00 C ATOM 961 CE1 TYR A 58 -8.926 -13.804 5.162 1.00 0.00 C ATOM 962 CE2 TYR A 58 -8.851 -12.634 3.079 1.00 0.00 C ATOM 963 CZ TYR A 58 -9.259 -13.678 3.850 1.00 0.00 C ATOM 964 OH TYR A 58 -10.034 -14.641 3.282 1.00 0.00 O ATOM 0 H TYR A 58 -8.383 -8.904 5.257 1.00 0.00 H new ATOM 0 HA TYR A 58 -7.941 -10.620 7.524 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -6.551 -9.886 4.893 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -5.867 -11.079 5.980 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -7.828 -12.860 6.805 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -7.694 -10.775 3.091 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -9.269 -14.650 5.740 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -9.136 -12.571 2.039 1.00 0.00 H new ATOM 0 HH TYR A 58 -10.193 -14.420 2.341 1.00 0.00 H new ATOM 974 N MET A 59 -5.812 -8.168 6.966 1.00 0.00 N ATOM 975 CA MET A 59 -4.775 -7.362 7.588 1.00 0.00 C ATOM 976 C MET A 59 -5.371 -6.404 8.622 1.00 0.00 C ATOM 977 O MET A 59 -4.779 -6.176 9.675 1.00 0.00 O ATOM 978 CB MET A 59 -4.040 -6.559 6.513 1.00 0.00 C ATOM 979 CG MET A 59 -3.614 -7.459 5.352 1.00 0.00 C ATOM 980 SD MET A 59 -2.027 -8.197 5.701 1.00 0.00 S ATOM 981 CE MET A 59 -1.294 -8.141 4.074 1.00 0.00 C ATOM 0 H MET A 59 -6.045 -7.899 6.010 1.00 0.00 H new ATOM 0 HA MET A 59 -4.079 -8.029 8.097 1.00 0.00 H new ATOM 0 HB2 MET A 59 -4.686 -5.763 6.143 1.00 0.00 H new ATOM 0 HB3 MET A 59 -3.162 -6.080 6.948 1.00 0.00 H new ATOM 0 HG2 MET A 59 -4.359 -8.238 5.193 1.00 0.00 H new ATOM 0 HG3 MET A 59 -3.559 -6.878 4.432 1.00 0.00 H new ATOM 0 HE1 MET A 59 -1.069 -9.154 3.741 1.00 0.00 H new ATOM 0 HE2 MET A 59 -1.991 -7.676 3.377 1.00 0.00 H new ATOM 0 HE3 MET A 59 -0.374 -7.558 4.109 1.00 0.00 H new ATOM 991 N ARG A 60 -6.536 -5.870 8.285 1.00 0.00 N ATOM 992 CA ARG A 60 -7.219 -4.943 9.171 1.00 0.00 C ATOM 993 C ARG A 60 -7.380 -5.559 10.563 1.00 0.00 C ATOM 994 O ARG A 60 -7.534 -4.841 11.549 1.00 0.00 O ATOM 995 CB ARG A 60 -8.598 -4.571 8.623 1.00 0.00 C ATOM 996 CG ARG A 60 -9.676 -4.728 9.698 1.00 0.00 C ATOM 997 CD ARG A 60 -11.037 -4.255 9.182 1.00 0.00 C ATOM 998 NE ARG A 60 -11.993 -4.147 10.306 1.00 0.00 N ATOM 999 CZ ARG A 60 -13.279 -3.794 10.167 1.00 0.00 C ATOM 1000 NH1 ARG A 60 -13.769 -3.514 8.952 1.00 0.00 N ATOM 1001 NH2 ARG A 60 -14.074 -3.722 11.243 1.00 0.00 N ATOM 0 H ARG A 60 -7.024 -6.062 7.410 1.00 0.00 H new ATOM 0 HA ARG A 60 -6.612 -4.040 9.237 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -8.585 -3.542 8.264 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -8.837 -5.204 7.768 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -9.741 -5.772 10.003 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -9.399 -4.155 10.583 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -10.932 -3.289 8.688 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -11.416 -4.954 8.437 1.00 0.00 H new ATOM 0 HE ARG A 60 -11.653 -4.354 11.245 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -13.164 -3.569 8.133 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -14.747 -3.245 8.846 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -13.701 -3.936 12.168 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -15.052 -3.453 11.137 1.00 0.00 H new ATOM 1015 N THR A 61 -7.338 -6.883 10.597 1.00 0.00 N ATOM 1016 CA THR A 61 -7.477 -7.604 11.851 1.00 0.00 C ATOM 1017 C THR A 61 -6.116 -7.753 12.534 1.00 0.00 C ATOM 1018 O THR A 61 -6.002 -7.566 13.744 1.00 0.00 O ATOM 1019 CB THR A 61 -8.158 -8.941 11.554 1.00 0.00 C ATOM 1020 OG1 THR A 61 -8.022 -9.095 10.144 1.00 0.00 O ATOM 1021 CG2 THR A 61 -9.670 -8.891 11.779 1.00 0.00 C ATOM 0 H THR A 61 -7.210 -7.475 9.776 1.00 0.00 H new ATOM 0 HA THR A 61 -8.101 -7.055 12.556 1.00 0.00 H new ATOM 0 HB THR A 61 -7.723 -9.717 12.184 1.00 0.00 H new ATOM 0 HG1 THR A 61 -7.144 -9.479 9.940 1.00 0.00 H new ATOM 0 HG21 THR A 61 -10.104 -9.865 11.554 1.00 0.00 H new ATOM 0 HG22 THR A 61 -9.875 -8.634 12.818 1.00 0.00 H new ATOM 0 HG23 THR A 61 -10.110 -8.138 11.125 1.00 0.00 H new ATOM 1029 N SER A 62 -5.119 -8.088 11.729 1.00 0.00 N ATOM 1030 CA SER A 62 -3.771 -8.264 12.240 1.00 0.00 C ATOM 1031 C SER A 62 -3.172 -6.908 12.615 1.00 0.00 C ATOM 1032 O SER A 62 -2.218 -6.839 13.389 1.00 0.00 O ATOM 1033 CB SER A 62 -2.881 -8.973 11.217 1.00 0.00 C ATOM 1034 OG SER A 62 -3.305 -10.312 10.978 1.00 0.00 O ATOM 0 H SER A 62 -5.218 -8.242 10.726 1.00 0.00 H new ATOM 0 HA SER A 62 -3.823 -8.890 13.131 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.892 -8.417 10.280 1.00 0.00 H new ATOM 0 HB3 SER A 62 -1.851 -8.977 11.574 1.00 0.00 H new ATOM 0 HG SER A 62 -2.713 -10.730 10.318 1.00 0.00 H new ATOM 1040 N CYS A 63 -3.756 -5.862 12.049 1.00 0.00 N ATOM 1041 CA CYS A 63 -3.292 -4.511 12.314 1.00 0.00 C ATOM 1042 C CYS A 63 -4.508 -3.637 12.626 1.00 0.00 C ATOM 1043 O CYS A 63 -5.506 -3.676 11.907 1.00 0.00 O ATOM 1044 CB CYS A 63 -2.474 -3.954 11.147 1.00 0.00 C ATOM 1045 SG CYS A 63 -0.723 -3.765 11.644 1.00 0.00 S ATOM 0 H CYS A 63 -4.547 -5.923 11.408 1.00 0.00 H new ATOM 0 HA CYS A 63 -2.620 -4.517 13.173 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -2.547 -4.623 10.289 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -2.878 -2.991 10.836 1.00 0.00 H new ATOM 0 HG CYS A 63 -0.037 -3.294 10.645 1.00 0.00 H new ATOM 1051 N PRO A 64 -4.383 -2.849 13.727 1.00 0.00 N ATOM 1052 CA PRO A 64 -5.460 -1.967 14.143 1.00 0.00 C ATOM 1053 C PRO A 64 -5.547 -0.741 13.233 1.00 0.00 C ATOM 1054 O PRO A 64 -6.636 -0.229 12.977 1.00 0.00 O ATOM 1055 CB PRO A 64 -5.144 -1.614 15.587 1.00 0.00 C ATOM 1056 CG PRO A 64 -3.670 -1.930 15.781 1.00 0.00 C ATOM 1057 CD PRO A 64 -3.217 -2.777 14.603 1.00 0.00 C ATOM 0 HA PRO A 64 -6.441 -2.436 14.067 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -5.347 -0.562 15.785 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -5.761 -2.193 16.274 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -3.087 -1.011 15.837 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -3.514 -2.464 16.718 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -2.367 -2.324 14.094 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -2.903 -3.769 14.927 1.00 0.00 H new ATOM 1065 N GLN A 65 -4.386 -0.305 12.768 1.00 0.00 N ATOM 1066 CA GLN A 65 -4.317 0.852 11.891 1.00 0.00 C ATOM 1067 C GLN A 65 -4.267 0.407 10.428 1.00 0.00 C ATOM 1068 O GLN A 65 -3.940 1.199 9.546 1.00 0.00 O ATOM 1069 CB GLN A 65 -3.114 1.732 12.238 1.00 0.00 C ATOM 1070 CG GLN A 65 -3.412 2.613 13.453 1.00 0.00 C ATOM 1071 CD GLN A 65 -2.326 2.460 14.520 1.00 0.00 C ATOM 1072 OE1 GLN A 65 -1.581 1.494 14.551 1.00 0.00 O ATOM 1073 NE2 GLN A 65 -2.277 3.464 15.390 1.00 0.00 N ATOM 0 H GLN A 65 -3.485 -0.732 12.982 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.217 1.449 12.038 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -2.247 1.104 12.443 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -2.859 2.359 11.384 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -3.478 3.656 13.143 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.381 2.343 13.874 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.930 4.243 15.307 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.586 3.455 16.140 1.00 0.00 H new ATOM 1082 N GLY A 66 -4.596 -0.859 10.216 1.00 0.00 N ATOM 1083 CA GLY A 66 -4.593 -1.419 8.875 1.00 0.00 C ATOM 1084 C GLY A 66 -5.504 -0.617 7.944 1.00 0.00 C ATOM 1085 O GLY A 66 -5.079 -0.184 6.875 1.00 0.00 O ATOM 0 H GLY A 66 -4.866 -1.513 10.951 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.577 -1.423 8.481 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.925 -2.457 8.910 1.00 0.00 H new ATOM 1089 N PRO A 67 -6.774 -0.438 8.397 1.00 0.00 N ATOM 1090 CA PRO A 67 -7.749 0.305 7.617 1.00 0.00 C ATOM 1091 C PRO A 67 -7.476 1.809 7.685 1.00 0.00 C ATOM 1092 O PRO A 67 -7.391 2.475 6.655 1.00 0.00 O ATOM 1093 CB PRO A 67 -9.098 -0.081 8.202 1.00 0.00 C ATOM 1094 CG PRO A 67 -8.806 -0.658 9.578 1.00 0.00 C ATOM 1095 CD PRO A 67 -7.314 -0.936 9.659 1.00 0.00 C ATOM 0 HA PRO A 67 -7.707 0.066 6.554 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -9.755 0.786 8.273 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -9.603 -0.812 7.571 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -9.107 0.042 10.357 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -9.374 -1.575 9.736 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -6.862 -0.428 10.511 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -7.116 -2.001 9.782 1.00 0.00 H new ATOM 1103 N VAL A 68 -7.347 2.299 8.909 1.00 0.00 N ATOM 1104 CA VAL A 68 -7.085 3.712 9.126 1.00 0.00 C ATOM 1105 C VAL A 68 -5.935 4.158 8.220 1.00 0.00 C ATOM 1106 O VAL A 68 -5.888 5.310 7.793 1.00 0.00 O ATOM 1107 CB VAL A 68 -6.813 3.972 10.609 1.00 0.00 C ATOM 1108 CG1 VAL A 68 -5.390 3.556 10.987 1.00 0.00 C ATOM 1109 CG2 VAL A 68 -7.068 5.439 10.963 1.00 0.00 C ATOM 0 H VAL A 68 -7.419 1.743 9.761 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.958 4.308 8.860 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.505 3.362 11.189 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.223 3.751 12.046 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.257 2.492 10.789 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.675 4.127 10.395 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.868 5.598 12.023 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -6.411 6.076 10.370 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -8.107 5.690 10.749 1.00 0.00 H new ATOM 1119 N SER A 69 -5.037 3.221 7.954 1.00 0.00 N ATOM 1120 CA SER A 69 -3.890 3.503 7.107 1.00 0.00 C ATOM 1121 C SER A 69 -4.347 3.718 5.663 1.00 0.00 C ATOM 1122 O SER A 69 -3.756 4.512 4.932 1.00 0.00 O ATOM 1123 CB SER A 69 -2.863 2.372 7.176 1.00 0.00 C ATOM 1124 OG SER A 69 -2.129 2.242 5.961 1.00 0.00 O ATOM 0 H SER A 69 -5.080 2.266 8.310 1.00 0.00 H new ATOM 0 HA SER A 69 -3.412 4.413 7.470 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.172 2.559 7.998 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.372 1.433 7.394 1.00 0.00 H new ATOM 0 HG SER A 69 -1.483 1.510 6.046 1.00 0.00 H new ATOM 1130 N LEU A 70 -5.395 2.996 5.294 1.00 0.00 N ATOM 1131 CA LEU A 70 -5.938 3.098 3.950 1.00 0.00 C ATOM 1132 C LEU A 70 -6.731 4.400 3.822 1.00 0.00 C ATOM 1133 O LEU A 70 -6.461 5.212 2.938 1.00 0.00 O ATOM 1134 CB LEU A 70 -6.749 1.848 3.603 1.00 0.00 C ATOM 1135 CG LEU A 70 -6.159 0.515 4.071 1.00 0.00 C ATOM 1136 CD1 LEU A 70 -7.253 -0.542 4.232 1.00 0.00 C ATOM 1137 CD2 LEU A 70 -5.045 0.049 3.132 1.00 0.00 C ATOM 0 H LEU A 70 -5.882 2.338 5.902 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.133 3.141 3.217 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.745 1.954 4.034 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -6.873 1.808 2.521 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.710 0.666 5.053 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -6.807 -1.479 4.565 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.980 -0.203 4.970 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -7.752 -0.698 3.276 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.643 -0.900 3.487 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.447 -0.080 2.127 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -4.250 0.795 3.112 1.00 0.00 H new ATOM 1149 N GLN A 71 -7.695 4.559 4.717 1.00 0.00 N ATOM 1150 CA GLN A 71 -8.529 5.748 4.716 1.00 0.00 C ATOM 1151 C GLN A 71 -7.670 7.000 4.908 1.00 0.00 C ATOM 1152 O GLN A 71 -7.927 8.033 4.293 1.00 0.00 O ATOM 1153 CB GLN A 71 -9.615 5.658 5.791 1.00 0.00 C ATOM 1154 CG GLN A 71 -9.030 5.182 7.122 1.00 0.00 C ATOM 1155 CD GLN A 71 -9.976 5.499 8.281 1.00 0.00 C ATOM 1156 OE1 GLN A 71 -10.923 4.780 8.558 1.00 0.00 O ATOM 1157 NE2 GLN A 71 -9.670 6.612 8.941 1.00 0.00 N ATOM 0 H GLN A 71 -7.917 3.883 5.448 1.00 0.00 H new ATOM 0 HA GLN A 71 -9.027 5.817 3.749 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -10.083 6.634 5.923 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.397 4.971 5.467 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -8.848 4.108 7.080 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -8.067 5.662 7.292 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -8.863 7.168 8.657 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -10.242 6.910 9.731 1.00 0.00 H new ATOM 1166 N ARG A 72 -6.668 6.865 5.764 1.00 0.00 N ATOM 1167 CA ARG A 72 -5.770 7.972 6.045 1.00 0.00 C ATOM 1168 C ARG A 72 -4.689 8.065 4.966 1.00 0.00 C ATOM 1169 O ARG A 72 -4.024 9.091 4.835 1.00 0.00 O ATOM 1170 CB ARG A 72 -5.103 7.807 7.412 1.00 0.00 C ATOM 1171 CG ARG A 72 -6.148 7.758 8.529 1.00 0.00 C ATOM 1172 CD ARG A 72 -6.643 9.163 8.878 1.00 0.00 C ATOM 1173 NE ARG A 72 -6.484 9.410 10.329 1.00 0.00 N ATOM 1174 CZ ARG A 72 -7.049 10.434 10.983 1.00 0.00 C ATOM 1175 NH1 ARG A 72 -7.812 11.313 10.320 1.00 0.00 N ATOM 1176 NH2 ARG A 72 -6.849 10.580 12.300 1.00 0.00 N ATOM 0 H ARG A 72 -6.458 6.006 6.272 1.00 0.00 H new ATOM 0 HA ARG A 72 -6.363 8.887 6.051 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -4.510 6.893 7.423 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -4.416 8.635 7.588 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -6.989 7.139 8.218 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -5.718 7.290 9.414 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -6.083 9.906 8.311 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -7.690 9.269 8.595 1.00 0.00 H new ATOM 0 HE ARG A 72 -5.908 8.760 10.864 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -7.963 11.203 9.317 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -8.242 12.092 10.818 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -6.267 9.912 12.805 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -7.279 11.359 12.798 1.00 0.00 H new ATOM 1190 N GLN A 73 -4.546 6.978 4.221 1.00 0.00 N ATOM 1191 CA GLN A 73 -3.557 6.924 3.158 1.00 0.00 C ATOM 1192 C GLN A 73 -3.906 7.928 2.057 1.00 0.00 C ATOM 1193 O GLN A 73 -3.027 8.609 1.532 1.00 0.00 O ATOM 1194 CB GLN A 73 -3.438 5.508 2.591 1.00 0.00 C ATOM 1195 CG GLN A 73 -3.181 5.541 1.084 1.00 0.00 C ATOM 1196 CD GLN A 73 -4.485 5.735 0.308 1.00 0.00 C ATOM 1197 OE1 GLN A 73 -4.639 6.656 -0.477 1.00 0.00 O ATOM 1198 NE2 GLN A 73 -5.413 4.820 0.573 1.00 0.00 N ATOM 0 H GLN A 73 -5.099 6.128 4.333 1.00 0.00 H new ATOM 0 HA GLN A 73 -2.588 7.195 3.576 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -2.626 4.979 3.090 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -4.353 4.952 2.795 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -2.489 6.350 0.847 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -2.704 4.612 0.773 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -5.218 4.075 1.242 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -6.320 4.863 0.108 1.00 0.00 H new ATOM 1207 N ILE A 74 -5.191 7.987 1.740 1.00 0.00 N ATOM 1208 CA ILE A 74 -5.667 8.896 0.711 1.00 0.00 C ATOM 1209 C ILE A 74 -5.757 10.310 1.288 1.00 0.00 C ATOM 1210 O ILE A 74 -6.164 10.492 2.434 1.00 0.00 O ATOM 1211 CB ILE A 74 -6.982 8.390 0.115 1.00 0.00 C ATOM 1212 CG1 ILE A 74 -6.847 8.153 -1.391 1.00 0.00 C ATOM 1213 CG2 ILE A 74 -8.135 9.339 0.445 1.00 0.00 C ATOM 1214 CD1 ILE A 74 -7.870 8.983 -2.170 1.00 0.00 C ATOM 0 H ILE A 74 -5.917 7.420 2.178 1.00 0.00 H new ATOM 0 HA ILE A 74 -4.962 8.934 -0.119 1.00 0.00 H new ATOM 0 HB ILE A 74 -7.216 7.429 0.572 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -5.839 8.414 -1.715 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -6.989 7.095 -1.611 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -9.058 8.956 0.009 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -8.247 9.413 1.527 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -7.923 10.326 0.034 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -7.753 8.796 -3.237 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -8.877 8.703 -1.861 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -7.710 10.042 -1.967 1.00 0.00 H new ATOM 1226 N PRO A 75 -5.361 11.301 0.445 1.00 0.00 N ATOM 1227 CA PRO A 75 -5.394 12.693 0.859 1.00 0.00 C ATOM 1228 C PRO A 75 -6.827 13.229 0.871 1.00 0.00 C ATOM 1229 O PRO A 75 -7.189 14.062 0.041 1.00 0.00 O ATOM 1230 CB PRO A 75 -4.496 13.419 -0.130 1.00 0.00 C ATOM 1231 CG PRO A 75 -4.367 12.496 -1.331 1.00 0.00 C ATOM 1232 CD PRO A 75 -4.874 11.123 -0.920 1.00 0.00 C ATOM 0 HA PRO A 75 -5.038 12.836 1.879 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -4.927 14.377 -0.419 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -3.520 13.628 0.309 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -4.945 12.880 -2.172 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -3.329 12.438 -1.658 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -5.669 10.780 -1.582 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -4.079 10.378 -0.963 1.00 0.00 H new ATOM 1240 N LYS A 76 -7.604 12.728 1.820 1.00 0.00 N ATOM 1241 CA LYS A 76 -8.990 13.146 1.950 1.00 0.00 C ATOM 1242 C LYS A 76 -9.695 12.246 2.967 1.00 0.00 C ATOM 1243 O LYS A 76 -10.788 11.746 2.706 1.00 0.00 O ATOM 1244 CB LYS A 76 -9.671 13.177 0.581 1.00 0.00 C ATOM 1245 CG LYS A 76 -10.184 14.581 0.255 1.00 0.00 C ATOM 1246 CD LYS A 76 -11.009 14.579 -1.033 1.00 0.00 C ATOM 1247 CE LYS A 76 -10.446 15.578 -2.046 1.00 0.00 C ATOM 1248 NZ LYS A 76 -11.360 15.713 -3.203 1.00 0.00 N ATOM 0 H LYS A 76 -7.301 12.037 2.506 1.00 0.00 H new ATOM 0 HA LYS A 76 -9.047 14.166 2.331 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -8.967 12.856 -0.187 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -10.501 12.471 0.568 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -10.793 14.950 1.080 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.341 15.264 0.150 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -11.011 13.579 -1.466 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -12.045 14.831 -0.806 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.307 16.549 -1.570 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.465 15.246 -2.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.831 15.554 -4.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -12.123 15.011 -3.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.769 16.669 -3.213 1.00 0.00 H new ATOM 1262 N LEU A 77 -9.041 12.069 4.106 1.00 0.00 N ATOM 1263 CA LEU A 77 -9.592 11.239 5.164 1.00 0.00 C ATOM 1264 C LEU A 77 -11.067 11.593 5.368 1.00 0.00 C ATOM 1265 O LEU A 77 -11.943 10.751 5.174 1.00 0.00 O ATOM 1266 CB LEU A 77 -8.749 11.361 6.435 1.00 0.00 C ATOM 1267 CG LEU A 77 -7.270 11.693 6.229 1.00 0.00 C ATOM 1268 CD1 LEU A 77 -6.709 10.962 5.008 1.00 0.00 C ATOM 1269 CD2 LEU A 77 -7.054 13.205 6.141 1.00 0.00 C ATOM 0 H LEU A 77 -8.135 12.486 4.319 1.00 0.00 H new ATOM 0 HA LEU A 77 -9.552 10.187 4.883 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -9.190 12.132 7.067 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -8.817 10.422 6.984 1.00 0.00 H new ATOM 0 HG LEU A 77 -6.716 11.339 7.099 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.656 11.215 4.884 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.809 9.886 5.150 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.262 11.263 4.118 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.994 13.413 5.995 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -7.622 13.605 5.301 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -7.392 13.675 7.065 1.00 0.00 H new ATOM 1281 N ASP A 78 -11.296 12.838 5.756 1.00 0.00 N ATOM 1282 CA ASP A 78 -12.649 13.313 5.989 1.00 0.00 C ATOM 1283 C ASP A 78 -13.557 12.828 4.857 1.00 0.00 C ATOM 1284 O ASP A 78 -14.771 12.728 5.029 1.00 0.00 O ATOM 1285 CB ASP A 78 -12.700 14.842 6.012 1.00 0.00 C ATOM 1286 CG ASP A 78 -14.100 15.445 5.881 1.00 0.00 C ATOM 1287 OD1 ASP A 78 -14.548 15.593 4.724 1.00 0.00 O ATOM 1288 OD2 ASP A 78 -14.690 15.744 6.942 1.00 0.00 O ATOM 0 H ASP A 78 -10.567 13.533 5.915 1.00 0.00 H new ATOM 0 HA ASP A 78 -12.981 12.926 6.953 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -12.256 15.191 6.944 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -12.079 15.223 5.201 1.00 0.00 H new ATOM 1293 N SER A 79 -12.933 12.537 3.724 1.00 0.00 N ATOM 1294 CA SER A 79 -13.670 12.064 2.565 1.00 0.00 C ATOM 1295 C SER A 79 -13.864 10.549 2.650 1.00 0.00 C ATOM 1296 O SER A 79 -14.994 10.067 2.712 1.00 0.00 O ATOM 1297 CB SER A 79 -12.950 12.434 1.266 1.00 0.00 C ATOM 1298 OG SER A 79 -13.861 12.824 0.243 1.00 0.00 O ATOM 0 H SER A 79 -11.926 12.620 3.585 1.00 0.00 H new ATOM 0 HA SER A 79 -14.646 12.549 2.560 1.00 0.00 H new ATOM 0 HB2 SER A 79 -12.251 13.248 1.458 1.00 0.00 H new ATOM 0 HB3 SER A 79 -12.362 11.583 0.922 1.00 0.00 H new ATOM 0 HG SER A 79 -13.362 13.054 -0.569 1.00 0.00 H new ATOM 1304 N VAL A 80 -12.745 9.840 2.652 1.00 0.00 N ATOM 1305 CA VAL A 80 -12.778 8.390 2.729 1.00 0.00 C ATOM 1306 C VAL A 80 -12.899 7.964 4.193 1.00 0.00 C ATOM 1307 O VAL A 80 -13.678 7.069 4.521 1.00 0.00 O ATOM 1308 CB VAL A 80 -11.548 7.800 2.035 1.00 0.00 C ATOM 1309 CG1 VAL A 80 -10.280 8.065 2.850 1.00 0.00 C ATOM 1310 CG2 VAL A 80 -11.730 6.304 1.775 1.00 0.00 C ATOM 0 H VAL A 80 -11.809 10.243 2.601 1.00 0.00 H new ATOM 0 HA VAL A 80 -13.650 8.000 2.203 1.00 0.00 H new ATOM 0 HB VAL A 80 -11.437 8.296 1.071 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -9.420 7.636 2.335 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -10.137 9.140 2.961 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -10.378 7.608 3.835 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -10.842 5.910 1.281 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -11.879 5.786 2.722 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -12.599 6.149 1.136 1.00 0.00 H new ATOM 1320 N LEU A 81 -12.118 8.624 5.035 1.00 0.00 N ATOM 1321 CA LEU A 81 -12.129 8.326 6.457 1.00 0.00 C ATOM 1322 C LEU A 81 -13.555 8.465 6.993 1.00 0.00 C ATOM 1323 O LEU A 81 -13.817 8.165 8.157 1.00 0.00 O ATOM 1324 CB LEU A 81 -11.108 9.194 7.195 1.00 0.00 C ATOM 1325 CG LEU A 81 -11.614 9.903 8.452 1.00 0.00 C ATOM 1326 CD1 LEU A 81 -11.458 9.012 9.686 1.00 0.00 C ATOM 1327 CD2 LEU A 81 -10.925 11.258 8.633 1.00 0.00 C ATOM 0 H LEU A 81 -11.473 9.365 4.760 1.00 0.00 H new ATOM 0 HA LEU A 81 -11.822 7.295 6.631 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -10.261 8.567 7.472 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.734 9.948 6.502 1.00 0.00 H new ATOM 0 HG LEU A 81 -12.679 10.097 8.328 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -11.825 9.541 10.565 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -12.031 8.095 9.548 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.406 8.764 9.825 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -11.303 11.741 9.534 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.849 11.110 8.725 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -11.132 11.890 7.769 1.00 0.00 H new ATOM 1339 N LYS A 82 -14.440 8.919 6.118 1.00 0.00 N ATOM 1340 CA LYS A 82 -15.833 9.102 6.488 1.00 0.00 C ATOM 1341 C LYS A 82 -16.722 8.330 5.510 1.00 0.00 C ATOM 1342 O LYS A 82 -16.920 7.126 5.664 1.00 0.00 O ATOM 1343 CB LYS A 82 -16.172 10.591 6.582 1.00 0.00 C ATOM 1344 CG LYS A 82 -16.138 11.070 8.035 1.00 0.00 C ATOM 1345 CD LYS A 82 -15.146 12.221 8.210 1.00 0.00 C ATOM 1346 CE LYS A 82 -15.735 13.323 9.094 1.00 0.00 C ATOM 1347 NZ LYS A 82 -14.681 13.932 9.935 1.00 0.00 N ATOM 0 H LYS A 82 -14.219 9.166 5.153 1.00 0.00 H new ATOM 0 HA LYS A 82 -16.020 8.693 7.481 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -15.462 11.167 5.989 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -17.161 10.770 6.159 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -17.134 11.394 8.338 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -15.859 10.243 8.688 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -14.224 11.847 8.655 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -14.885 12.632 7.235 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -16.199 14.088 8.471 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -16.520 12.909 9.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -15.098 14.678 10.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -14.257 13.202 10.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -13.946 14.345 9.326 1.00 0.00 H new ATOM 1361 N TYR A 83 -17.232 9.055 4.526 1.00 0.00 N ATOM 1362 CA TYR A 83 -18.095 8.454 3.523 1.00 0.00 C ATOM 1363 C TYR A 83 -18.329 9.413 2.354 1.00 0.00 C ATOM 1364 O TYR A 83 -19.133 9.132 1.467 1.00 0.00 O ATOM 1365 CB TYR A 83 -19.429 8.185 4.221 1.00 0.00 C ATOM 1366 CG TYR A 83 -19.907 6.735 4.114 1.00 0.00 C ATOM 1367 CD1 TYR A 83 -20.523 6.295 2.961 1.00 0.00 C ATOM 1368 CD2 TYR A 83 -19.721 5.868 5.171 1.00 0.00 C ATOM 1369 CE1 TYR A 83 -20.972 4.930 2.860 1.00 0.00 C ATOM 1370 CE2 TYR A 83 -20.170 4.503 5.071 1.00 0.00 C ATOM 1371 CZ TYR A 83 -20.773 4.102 3.920 1.00 0.00 C ATOM 1372 OH TYR A 83 -21.197 2.813 3.825 1.00 0.00 O ATOM 0 H TYR A 83 -17.064 10.053 4.401 1.00 0.00 H new ATOM 0 HA TYR A 83 -17.643 7.547 3.122 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -19.336 8.449 5.274 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -20.189 8.840 3.794 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -20.669 6.974 2.134 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -19.239 6.213 6.074 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -21.456 4.572 1.963 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -20.031 3.814 5.891 1.00 0.00 H new ATOM 0 HH TYR A 83 -20.988 2.338 4.656 1.00 0.00 H new ATOM 1382 N LYS A 84 -17.612 10.527 2.392 1.00 0.00 N ATOM 1383 CA LYS A 84 -17.731 11.529 1.347 1.00 0.00 C ATOM 1384 C LYS A 84 -17.513 10.868 -0.016 1.00 0.00 C ATOM 1385 O LYS A 84 -17.758 9.673 -0.176 1.00 0.00 O ATOM 1386 CB LYS A 84 -16.787 12.702 1.619 1.00 0.00 C ATOM 1387 CG LYS A 84 -17.425 14.028 1.200 1.00 0.00 C ATOM 1388 CD LYS A 84 -16.403 15.166 1.245 1.00 0.00 C ATOM 1389 CE LYS A 84 -15.588 15.222 -0.048 1.00 0.00 C ATOM 1390 NZ LYS A 84 -16.206 16.162 -1.010 1.00 0.00 N ATOM 0 H LYS A 84 -16.947 10.757 3.130 1.00 0.00 H new ATOM 0 HA LYS A 84 -18.735 11.953 1.339 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -16.537 12.734 2.679 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -15.854 12.556 1.076 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -17.831 13.938 0.192 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -18.261 14.258 1.861 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -16.917 16.115 1.397 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -15.735 15.026 2.095 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -14.568 15.536 0.172 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -15.527 14.227 -0.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -15.733 16.076 -1.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -17.216 15.936 -1.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -16.104 17.135 -0.658 1.00 0.00 H new ATOM 1404 N HIS A 85 -17.056 11.674 -0.963 1.00 0.00 N ATOM 1405 CA HIS A 85 -16.802 11.181 -2.306 1.00 0.00 C ATOM 1406 C HIS A 85 -16.259 9.753 -2.235 1.00 0.00 C ATOM 1407 O HIS A 85 -16.311 9.016 -3.219 1.00 0.00 O ATOM 1408 CB HIS A 85 -15.875 12.132 -3.067 1.00 0.00 C ATOM 1409 CG HIS A 85 -16.566 13.359 -3.610 1.00 0.00 C ATOM 1410 ND1 HIS A 85 -15.950 14.597 -3.680 1.00 0.00 N ATOM 1411 CD2 HIS A 85 -17.824 13.527 -4.110 1.00 0.00 C ATOM 1412 CE1 HIS A 85 -16.809 15.463 -4.198 1.00 0.00 C ATOM 1413 NE2 HIS A 85 -17.969 14.797 -4.464 1.00 0.00 N ATOM 0 H HIS A 85 -16.855 12.665 -0.827 1.00 0.00 H new ATOM 0 HA HIS A 85 -17.735 11.149 -2.868 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -15.069 12.445 -2.404 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -15.415 11.591 -3.894 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -18.575 12.756 -4.202 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -16.623 16.512 -4.378 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -18.810 15.208 -4.869 1.00 0.00 H new ATOM 1421 N THR A 86 -15.749 9.405 -1.063 1.00 0.00 N ATOM 1422 CA THR A 86 -15.197 8.078 -0.851 1.00 0.00 C ATOM 1423 C THR A 86 -16.209 7.007 -1.263 1.00 0.00 C ATOM 1424 O THR A 86 -15.846 5.849 -1.462 1.00 0.00 O ATOM 1425 CB THR A 86 -14.764 7.974 0.613 1.00 0.00 C ATOM 1426 OG1 THR A 86 -13.855 6.877 0.629 1.00 0.00 O ATOM 1427 CG2 THR A 86 -15.904 7.527 1.530 1.00 0.00 C ATOM 0 H THR A 86 -15.706 10.019 -0.250 1.00 0.00 H new ATOM 0 HA THR A 86 -14.321 7.910 -1.477 1.00 0.00 H new ATOM 0 HB THR A 86 -14.385 8.939 0.949 1.00 0.00 H new ATOM 0 HG1 THR A 86 -14.243 6.138 1.142 1.00 0.00 H new ATOM 0 HG21 THR A 86 -15.544 7.469 2.557 1.00 0.00 H new ATOM 0 HG22 THR A 86 -16.721 8.246 1.472 1.00 0.00 H new ATOM 0 HG23 THR A 86 -16.261 6.546 1.215 1.00 0.00 H new ATOM 1435 N ASP A 87 -17.458 7.432 -1.379 1.00 0.00 N ATOM 1436 CA ASP A 87 -18.525 6.524 -1.764 1.00 0.00 C ATOM 1437 C ASP A 87 -17.951 5.415 -2.648 1.00 0.00 C ATOM 1438 O ASP A 87 -16.811 4.995 -2.460 1.00 0.00 O ATOM 1439 CB ASP A 87 -19.607 7.253 -2.563 1.00 0.00 C ATOM 1440 CG ASP A 87 -21.042 6.976 -2.111 1.00 0.00 C ATOM 1441 OD1 ASP A 87 -21.189 6.395 -1.014 1.00 0.00 O ATOM 1442 OD2 ASP A 87 -21.960 7.351 -2.872 1.00 0.00 O ATOM 0 H ASP A 87 -17.755 8.393 -1.213 1.00 0.00 H new ATOM 0 HA ASP A 87 -18.963 6.114 -0.854 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -19.423 8.326 -2.500 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -19.512 6.974 -3.612 1.00 0.00 H new ATOM 1447 N PRO A 88 -18.789 4.962 -3.618 1.00 0.00 N ATOM 1448 CA PRO A 88 -18.377 3.910 -4.531 1.00 0.00 C ATOM 1449 C PRO A 88 -17.399 4.445 -5.579 1.00 0.00 C ATOM 1450 O PRO A 88 -17.238 3.852 -6.644 1.00 0.00 O ATOM 1451 CB PRO A 88 -19.669 3.386 -5.138 1.00 0.00 C ATOM 1452 CG PRO A 88 -20.710 4.467 -4.896 1.00 0.00 C ATOM 1453 CD PRO A 88 -20.147 5.436 -3.870 1.00 0.00 C ATOM 0 HA PRO A 88 -17.834 3.108 -4.030 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -19.549 3.191 -6.204 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -19.966 2.446 -4.673 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -20.943 4.988 -5.825 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -21.640 4.027 -4.536 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -20.146 6.458 -4.249 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -20.742 5.436 -2.957 1.00 0.00 H new ATOM 1461 N THR A 89 -16.771 5.561 -5.240 1.00 0.00 N ATOM 1462 CA THR A 89 -15.813 6.184 -6.137 1.00 0.00 C ATOM 1463 C THR A 89 -14.470 5.454 -6.073 1.00 0.00 C ATOM 1464 O THR A 89 -13.912 5.080 -7.104 1.00 0.00 O ATOM 1465 CB THR A 89 -15.717 7.667 -5.773 1.00 0.00 C ATOM 1466 OG1 THR A 89 -15.198 8.281 -6.949 1.00 0.00 O ATOM 1467 CG2 THR A 89 -14.653 7.940 -4.708 1.00 0.00 C ATOM 0 H THR A 89 -16.907 6.050 -4.355 1.00 0.00 H new ATOM 0 HA THR A 89 -16.138 6.111 -7.175 1.00 0.00 H new ATOM 0 HB THR A 89 -16.686 8.017 -5.416 1.00 0.00 H new ATOM 0 HG1 THR A 89 -14.292 8.610 -6.773 1.00 0.00 H new ATOM 0 HG21 THR A 89 -14.626 9.007 -4.486 1.00 0.00 H new ATOM 0 HG22 THR A 89 -14.896 7.387 -3.801 1.00 0.00 H new ATOM 0 HG23 THR A 89 -13.678 7.621 -5.077 1.00 0.00 H new ATOM 1475 N PHE A 90 -13.989 5.273 -4.852 1.00 0.00 N ATOM 1476 CA PHE A 90 -12.722 4.595 -4.639 1.00 0.00 C ATOM 1477 C PHE A 90 -12.940 3.121 -4.294 1.00 0.00 C ATOM 1478 O PHE A 90 -12.032 2.304 -4.440 1.00 0.00 O ATOM 1479 CB PHE A 90 -12.036 5.287 -3.460 1.00 0.00 C ATOM 1480 CG PHE A 90 -11.380 6.623 -3.817 1.00 0.00 C ATOM 1481 CD1 PHE A 90 -10.241 6.644 -4.560 1.00 0.00 C ATOM 1482 CD2 PHE A 90 -11.936 7.789 -3.392 1.00 0.00 C ATOM 1483 CE1 PHE A 90 -9.633 7.883 -4.892 1.00 0.00 C ATOM 1484 CE2 PHE A 90 -11.328 9.028 -3.724 1.00 0.00 C ATOM 1485 CZ PHE A 90 -10.189 9.049 -4.467 1.00 0.00 C ATOM 0 H PHE A 90 -14.454 5.584 -3.999 1.00 0.00 H new ATOM 0 HA PHE A 90 -12.118 4.643 -5.545 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -12.771 5.454 -2.673 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -11.277 4.619 -3.052 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -9.799 5.718 -4.897 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -12.840 7.772 -2.802 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -8.729 7.900 -5.482 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -11.770 9.954 -3.387 1.00 0.00 H new ATOM 0 HZ PHE A 90 -9.726 9.992 -4.719 1.00 0.00 H new ATOM 1495 N GLY A 91 -14.150 2.825 -3.842 1.00 0.00 N ATOM 1496 CA GLY A 91 -14.499 1.463 -3.475 1.00 0.00 C ATOM 1497 C GLY A 91 -14.004 0.467 -4.525 1.00 0.00 C ATOM 1498 O GLY A 91 -12.892 0.598 -5.034 1.00 0.00 O ATOM 0 H GLY A 91 -14.901 3.505 -3.722 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -14.063 1.221 -2.506 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -15.580 1.377 -3.369 1.00 0.00 H new ATOM 1502 N MET A 92 -14.853 -0.506 -4.819 1.00 0.00 N ATOM 1503 CA MET A 92 -14.516 -1.524 -5.799 1.00 0.00 C ATOM 1504 C MET A 92 -13.398 -1.042 -6.727 1.00 0.00 C ATOM 1505 O MET A 92 -12.418 -1.753 -6.945 1.00 0.00 O ATOM 1506 CB MET A 92 -15.755 -1.865 -6.629 1.00 0.00 C ATOM 1507 CG MET A 92 -16.546 -0.603 -6.978 1.00 0.00 C ATOM 1508 SD MET A 92 -17.768 -0.280 -5.717 1.00 0.00 S ATOM 1509 CE MET A 92 -17.214 1.320 -5.151 1.00 0.00 C ATOM 0 H MET A 92 -15.775 -0.611 -4.395 1.00 0.00 H new ATOM 0 HA MET A 92 -14.168 -2.410 -5.269 1.00 0.00 H new ATOM 0 HB2 MET A 92 -15.455 -2.375 -7.544 1.00 0.00 H new ATOM 0 HB3 MET A 92 -16.391 -2.555 -6.074 1.00 0.00 H new ATOM 0 HG2 MET A 92 -15.870 0.247 -7.067 1.00 0.00 H new ATOM 0 HG3 MET A 92 -17.033 -0.725 -7.945 1.00 0.00 H new ATOM 0 HE1 MET A 92 -17.153 1.320 -4.063 1.00 0.00 H new ATOM 0 HE2 MET A 92 -16.230 1.533 -5.569 1.00 0.00 H new ATOM 0 HE3 MET A 92 -17.920 2.085 -5.475 1.00 0.00 H new ATOM 1519 N ASP A 93 -13.582 0.162 -7.247 1.00 0.00 N ATOM 1520 CA ASP A 93 -12.601 0.747 -8.145 1.00 0.00 C ATOM 1521 C ASP A 93 -12.006 1.999 -7.499 1.00 0.00 C ATOM 1522 O ASP A 93 -12.630 3.060 -7.500 1.00 0.00 O ATOM 1523 CB ASP A 93 -13.245 1.160 -9.470 1.00 0.00 C ATOM 1524 CG ASP A 93 -13.009 0.194 -10.633 1.00 0.00 C ATOM 1525 OD1 ASP A 93 -11.863 -0.293 -10.742 1.00 0.00 O ATOM 1526 OD2 ASP A 93 -13.980 -0.035 -11.386 1.00 0.00 O ATOM 0 H ASP A 93 -14.396 0.749 -7.064 1.00 0.00 H new ATOM 0 HA ASP A 93 -11.831 -0.000 -8.335 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -14.319 1.265 -9.317 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -12.865 2.142 -9.751 1.00 0.00 H new ATOM 1531 N LEU A 94 -10.806 1.836 -6.961 1.00 0.00 N ATOM 1532 CA LEU A 94 -10.120 2.940 -6.312 1.00 0.00 C ATOM 1533 C LEU A 94 -9.307 3.712 -7.354 1.00 0.00 C ATOM 1534 O LEU A 94 -9.416 4.934 -7.449 1.00 0.00 O ATOM 1535 CB LEU A 94 -9.286 2.434 -5.133 1.00 0.00 C ATOM 1536 CG LEU A 94 -8.021 3.234 -4.814 1.00 0.00 C ATOM 1537 CD1 LEU A 94 -8.314 4.339 -3.798 1.00 0.00 C ATOM 1538 CD2 LEU A 94 -6.892 2.311 -4.350 1.00 0.00 C ATOM 0 H LEU A 94 -10.291 0.955 -6.961 1.00 0.00 H new ATOM 0 HA LEU A 94 -10.840 3.639 -5.886 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -9.918 2.422 -4.245 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -8.998 1.402 -5.333 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.683 3.720 -5.729 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.399 4.893 -3.588 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -9.064 5.018 -4.205 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -8.689 3.895 -2.876 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -6.004 2.904 -4.130 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.204 1.778 -3.452 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.662 1.593 -5.137 1.00 0.00 H new ATOM 1550 N GLN A 95 -8.512 2.968 -8.107 1.00 0.00 N ATOM 1551 CA GLN A 95 -7.681 3.568 -9.138 1.00 0.00 C ATOM 1552 C GLN A 95 -8.538 4.405 -10.090 1.00 0.00 C ATOM 1553 O GLN A 95 -8.064 5.390 -10.654 1.00 0.00 O ATOM 1554 CB GLN A 95 -6.898 2.499 -9.902 1.00 0.00 C ATOM 1555 CG GLN A 95 -6.657 1.266 -9.029 1.00 0.00 C ATOM 1556 CD GLN A 95 -6.156 1.668 -7.640 1.00 0.00 C ATOM 1557 OE1 GLN A 95 -6.572 1.135 -6.624 1.00 0.00 O ATOM 1558 NE2 GLN A 95 -5.243 2.634 -7.653 1.00 0.00 N ATOM 0 H GLN A 95 -8.425 1.955 -8.025 1.00 0.00 H new ATOM 0 HA GLN A 95 -6.958 4.227 -8.657 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -7.447 2.212 -10.799 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -5.943 2.908 -10.231 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -7.581 0.696 -8.935 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -5.927 0.614 -9.508 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -4.939 3.037 -8.540 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -4.846 2.973 -6.776 1.00 0.00 H new ATOM 1567 N LYS A 96 -9.785 3.983 -10.239 1.00 0.00 N ATOM 1568 CA LYS A 96 -10.712 4.681 -11.112 1.00 0.00 C ATOM 1569 C LYS A 96 -10.985 6.077 -10.548 1.00 0.00 C ATOM 1570 O LYS A 96 -11.393 6.978 -11.279 1.00 0.00 O ATOM 1571 CB LYS A 96 -11.977 3.847 -11.328 1.00 0.00 C ATOM 1572 CG LYS A 96 -11.627 2.427 -11.776 1.00 0.00 C ATOM 1573 CD LYS A 96 -10.528 2.442 -12.841 1.00 0.00 C ATOM 1574 CE LYS A 96 -10.994 3.178 -14.099 1.00 0.00 C ATOM 1575 NZ LYS A 96 -11.679 2.244 -15.021 1.00 0.00 N ATOM 0 H LYS A 96 -10.175 3.166 -9.769 1.00 0.00 H new ATOM 0 HA LYS A 96 -10.274 4.816 -12.101 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -12.554 3.809 -10.404 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -12.608 4.324 -12.078 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -11.298 1.842 -10.917 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -12.516 1.938 -12.173 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -9.636 2.925 -12.442 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -10.249 1.419 -13.096 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -11.669 3.988 -13.824 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -10.139 3.632 -14.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -11.989 2.759 -15.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -11.023 1.485 -15.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -12.506 1.831 -14.545 1.00 0.00 H new ATOM 1589 N CYS A 97 -10.750 6.212 -9.251 1.00 0.00 N ATOM 1590 CA CYS A 97 -10.966 7.483 -8.580 1.00 0.00 C ATOM 1591 C CYS A 97 -9.618 8.198 -8.462 1.00 0.00 C ATOM 1592 O CYS A 97 -9.487 9.352 -8.869 1.00 0.00 O ATOM 1593 CB CYS A 97 -11.634 7.296 -7.216 1.00 0.00 C ATOM 1594 SG CYS A 97 -12.144 8.919 -6.541 1.00 0.00 S ATOM 0 H CYS A 97 -10.412 5.463 -8.647 1.00 0.00 H new ATOM 0 HA CYS A 97 -11.652 8.095 -9.166 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -12.502 6.644 -7.313 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -10.944 6.807 -6.528 1.00 0.00 H new ATOM 0 HG CYS A 97 -11.533 9.132 -5.414 1.00 0.00 H new ATOM 1600 N VAL A 98 -8.652 7.484 -7.903 1.00 0.00 N ATOM 1601 CA VAL A 98 -7.320 8.037 -7.727 1.00 0.00 C ATOM 1602 C VAL A 98 -6.597 8.054 -9.075 1.00 0.00 C ATOM 1603 O VAL A 98 -5.546 8.679 -9.212 1.00 0.00 O ATOM 1604 CB VAL A 98 -6.565 7.250 -6.654 1.00 0.00 C ATOM 1605 CG1 VAL A 98 -7.229 5.895 -6.398 1.00 0.00 C ATOM 1606 CG2 VAL A 98 -5.093 7.077 -7.034 1.00 0.00 C ATOM 0 H VAL A 98 -8.765 6.528 -7.566 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.378 9.067 -7.376 1.00 0.00 H new ATOM 0 HB VAL A 98 -6.606 7.823 -5.728 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -6.672 5.356 -5.631 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -8.254 6.050 -6.061 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -7.234 5.313 -7.319 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -4.580 6.514 -6.254 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -5.022 6.537 -7.978 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -4.627 8.057 -7.141 1.00 0.00 H new ATOM 1616 N GLN A 99 -7.188 7.360 -10.037 1.00 0.00 N ATOM 1617 CA GLN A 99 -6.614 7.288 -11.369 1.00 0.00 C ATOM 1618 C GLN A 99 -5.971 8.625 -11.743 1.00 0.00 C ATOM 1619 O GLN A 99 -5.065 8.671 -12.574 1.00 0.00 O ATOM 1620 CB GLN A 99 -7.668 6.879 -12.399 1.00 0.00 C ATOM 1621 CG GLN A 99 -9.024 7.512 -12.077 1.00 0.00 C ATOM 1622 CD GLN A 99 -9.166 8.877 -12.754 1.00 0.00 C ATOM 1623 OE1 GLN A 99 -9.434 9.886 -12.123 1.00 0.00 O ATOM 1624 NE2 GLN A 99 -8.973 8.851 -14.069 1.00 0.00 N ATOM 0 H GLN A 99 -8.059 6.842 -9.920 1.00 0.00 H new ATOM 0 HA GLN A 99 -5.839 6.522 -11.368 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -7.347 7.185 -13.395 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -7.764 5.793 -12.415 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -9.826 6.852 -12.409 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -9.130 7.624 -10.998 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -8.751 7.971 -14.535 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -9.046 9.711 -14.612 1.00 0.00 H new ATOM 1633 N ARG A 100 -6.466 9.680 -11.113 1.00 0.00 N ATOM 1634 CA ARG A 100 -5.951 11.014 -11.369 1.00 0.00 C ATOM 1635 C ARG A 100 -7.003 12.066 -11.015 1.00 0.00 C ATOM 1636 O ARG A 100 -6.692 13.252 -10.915 1.00 0.00 O ATOM 1637 CB ARG A 100 -5.550 11.178 -12.837 1.00 0.00 C ATOM 1638 CG ARG A 100 -5.410 12.656 -13.206 1.00 0.00 C ATOM 1639 CD ARG A 100 -4.535 12.830 -14.448 1.00 0.00 C ATOM 1640 NE ARG A 100 -5.005 13.989 -15.240 1.00 0.00 N ATOM 1641 CZ ARG A 100 -4.737 14.169 -16.540 1.00 0.00 C ATOM 1642 NH1 ARG A 100 -4.000 13.266 -17.204 1.00 0.00 N ATOM 1643 NH2 ARG A 100 -5.205 15.250 -17.178 1.00 0.00 N ATOM 0 H ARG A 100 -7.218 9.638 -10.426 1.00 0.00 H new ATOM 0 HA ARG A 100 -5.068 11.153 -10.745 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -4.607 10.663 -13.020 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -6.298 10.709 -13.476 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -6.396 13.084 -13.388 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -4.974 13.204 -12.370 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -3.496 12.978 -14.153 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -4.568 11.926 -15.056 1.00 0.00 H new ATOM 0 HE ARG A 100 -5.568 14.695 -14.766 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -3.644 12.442 -16.719 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -3.796 13.403 -18.194 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -5.766 15.937 -16.674 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -5.000 15.386 -18.168 1.00 0.00 H new ATOM 1657 N GLY A 101 -8.228 11.595 -10.834 1.00 0.00 N ATOM 1658 CA GLY A 101 -9.329 12.480 -10.493 1.00 0.00 C ATOM 1659 C GLY A 101 -9.258 12.902 -9.024 1.00 0.00 C ATOM 1660 O GLY A 101 -8.174 12.982 -8.449 1.00 0.00 O ATOM 0 H GLY A 101 -8.483 10.611 -10.917 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -9.301 13.364 -11.131 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -10.277 11.978 -10.685 1.00 0.00 H new ATOM 1664 N LEU A 102 -10.428 13.160 -8.459 1.00 0.00 N ATOM 1665 CA LEU A 102 -10.513 13.571 -7.068 1.00 0.00 C ATOM 1666 C LEU A 102 -9.240 14.329 -6.686 1.00 0.00 C ATOM 1667 O LEU A 102 -9.127 15.527 -6.940 1.00 0.00 O ATOM 1668 CB LEU A 102 -10.804 12.367 -6.169 1.00 0.00 C ATOM 1669 CG LEU A 102 -11.441 12.679 -4.814 1.00 0.00 C ATOM 1670 CD1 LEU A 102 -12.779 11.954 -4.657 1.00 0.00 C ATOM 1671 CD2 LEU A 102 -10.478 12.361 -3.669 1.00 0.00 C ATOM 0 H LEU A 102 -11.325 13.092 -8.939 1.00 0.00 H new ATOM 0 HA LEU A 102 -11.349 14.256 -6.924 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -11.462 11.686 -6.709 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -9.869 11.835 -5.994 1.00 0.00 H new ATOM 0 HG LEU A 102 -11.648 13.748 -4.772 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -13.211 12.193 -3.685 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -13.461 12.274 -5.445 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -12.620 10.878 -4.729 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -10.956 12.592 -2.717 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -10.217 11.303 -3.697 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -9.574 12.961 -3.776 1.00 0.00 H new ATOM 1683 N TRP A 103 -8.313 13.599 -6.083 1.00 0.00 N ATOM 1684 CA TRP A 103 -7.052 14.188 -5.664 1.00 0.00 C ATOM 1685 C TRP A 103 -5.944 13.167 -5.925 1.00 0.00 C ATOM 1686 O TRP A 103 -6.196 11.963 -5.947 1.00 0.00 O ATOM 1687 CB TRP A 103 -7.117 14.641 -4.204 1.00 0.00 C ATOM 1688 CG TRP A 103 -7.152 16.160 -4.024 1.00 0.00 C ATOM 1689 CD1 TRP A 103 -7.471 17.091 -4.933 1.00 0.00 C ATOM 1690 CD2 TRP A 103 -6.842 16.890 -2.818 1.00 0.00 C ATOM 1691 NE1 TRP A 103 -7.390 18.363 -4.404 1.00 0.00 N ATOM 1692 CE2 TRP A 103 -6.995 18.237 -3.077 1.00 0.00 C ATOM 1693 CE3 TRP A 103 -6.445 16.428 -1.551 1.00 0.00 C ATOM 1694 CZ2 TRP A 103 -6.772 19.232 -2.118 1.00 0.00 C ATOM 1695 CZ3 TRP A 103 -6.226 17.435 -0.604 1.00 0.00 C ATOM 1696 CH2 TRP A 103 -6.376 18.795 -0.848 1.00 0.00 C ATOM 0 H TRP A 103 -8.410 12.605 -5.875 1.00 0.00 H new ATOM 0 HA TRP A 103 -6.837 15.089 -6.238 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -8.004 14.210 -3.740 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -6.253 14.242 -3.672 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -7.756 16.873 -5.952 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -7.584 19.235 -4.896 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -6.319 15.379 -1.326 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -6.899 20.280 -2.345 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -5.919 17.134 0.387 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -6.188 19.511 -0.062 1.00 0.00 H new ATOM 1707 N ASN A 104 -4.739 13.684 -6.116 1.00 0.00 N ATOM 1708 CA ASN A 104 -3.591 12.832 -6.375 1.00 0.00 C ATOM 1709 C ASN A 104 -3.035 12.315 -5.046 1.00 0.00 C ATOM 1710 O ASN A 104 -2.409 13.064 -4.298 1.00 0.00 O ATOM 1711 CB ASN A 104 -2.478 13.608 -7.082 1.00 0.00 C ATOM 1712 CG ASN A 104 -3.059 14.637 -8.053 1.00 0.00 C ATOM 1713 OD1 ASN A 104 -4.248 14.672 -8.324 1.00 0.00 O ATOM 1714 ND2 ASN A 104 -2.156 15.472 -8.561 1.00 0.00 N ATOM 0 H ASN A 104 -4.533 14.683 -6.097 1.00 0.00 H new ATOM 0 HA ASN A 104 -3.918 12.009 -7.011 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -1.855 14.111 -6.343 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -1.834 12.915 -7.623 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -2.444 16.196 -9.219 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -1.176 15.388 -8.292 1.00 0.00 H new ATOM 1721 N PRO A 105 -3.292 11.005 -4.787 1.00 0.00 N ATOM 1722 CA PRO A 105 -2.825 10.379 -3.561 1.00 0.00 C ATOM 1723 C PRO A 105 -1.320 10.108 -3.624 1.00 0.00 C ATOM 1724 O PRO A 105 -0.652 10.058 -2.592 1.00 0.00 O ATOM 1725 CB PRO A 105 -3.652 9.111 -3.427 1.00 0.00 C ATOM 1726 CG PRO A 105 -4.220 8.835 -4.810 1.00 0.00 C ATOM 1727 CD PRO A 105 -4.031 10.088 -5.650 1.00 0.00 C ATOM 0 HA PRO A 105 -2.954 11.017 -2.687 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -3.038 8.279 -3.084 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -4.450 9.241 -2.696 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -3.712 7.987 -5.269 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -5.277 8.575 -4.744 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -3.478 9.872 -6.564 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -4.989 10.512 -5.950 1.00 0.00 H new ATOM 1735 N LYS A 106 -0.832 9.940 -4.844 1.00 0.00 N ATOM 1736 CA LYS A 106 0.581 9.675 -5.054 1.00 0.00 C ATOM 1737 C LYS A 106 1.144 8.935 -3.838 1.00 0.00 C ATOM 1738 O LYS A 106 2.307 9.114 -3.482 1.00 0.00 O ATOM 1739 CB LYS A 106 1.326 10.970 -5.384 1.00 0.00 C ATOM 1740 CG LYS A 106 2.228 11.395 -4.224 1.00 0.00 C ATOM 1741 CD LYS A 106 1.411 11.633 -2.953 1.00 0.00 C ATOM 1742 CE LYS A 106 0.123 12.398 -3.264 1.00 0.00 C ATOM 1743 NZ LYS A 106 -0.730 12.489 -2.058 1.00 0.00 N ATOM 0 H LYS A 106 -1.390 9.982 -5.697 1.00 0.00 H new ATOM 0 HA LYS A 106 0.722 9.024 -5.917 1.00 0.00 H new ATOM 0 HB2 LYS A 106 1.926 10.829 -6.283 1.00 0.00 H new ATOM 0 HB3 LYS A 106 0.608 11.761 -5.600 1.00 0.00 H new ATOM 0 HG2 LYS A 106 2.977 10.625 -4.040 1.00 0.00 H new ATOM 0 HG3 LYS A 106 2.765 12.305 -4.491 1.00 0.00 H new ATOM 0 HD2 LYS A 106 1.167 10.677 -2.489 1.00 0.00 H new ATOM 0 HD3 LYS A 106 2.007 12.194 -2.233 1.00 0.00 H new ATOM 0 HE2 LYS A 106 0.365 13.399 -3.622 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -0.421 11.896 -4.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -1.642 12.920 -2.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -0.892 11.536 -1.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -0.256 13.075 -1.341 1.00 0.00 H new ATOM 1757 N GLU A 107 0.291 8.121 -3.234 1.00 0.00 N ATOM 1758 CA GLU A 107 0.688 7.354 -2.065 1.00 0.00 C ATOM 1759 C GLU A 107 0.898 5.886 -2.440 1.00 0.00 C ATOM 1760 O GLU A 107 0.245 5.374 -3.349 1.00 0.00 O ATOM 1761 CB GLU A 107 -0.343 7.491 -0.943 1.00 0.00 C ATOM 1762 CG GLU A 107 0.038 8.619 0.017 1.00 0.00 C ATOM 1763 CD GLU A 107 1.349 8.304 0.741 1.00 0.00 C ATOM 1764 OE1 GLU A 107 2.406 8.682 0.191 1.00 0.00 O ATOM 1765 OE2 GLU A 107 1.265 7.692 1.827 1.00 0.00 O ATOM 0 H GLU A 107 -0.674 7.976 -3.532 1.00 0.00 H new ATOM 0 HA GLU A 107 1.633 7.754 -1.696 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -1.326 7.689 -1.370 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -0.416 6.552 -0.395 1.00 0.00 H new ATOM 0 HG2 GLU A 107 0.139 9.553 -0.536 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -0.759 8.765 0.747 1.00 0.00 H new ATOM 1772 N ALA A 108 1.812 5.250 -1.722 1.00 0.00 N ATOM 1773 CA ALA A 108 2.116 3.851 -1.968 1.00 0.00 C ATOM 1774 C ALA A 108 1.678 3.018 -0.761 1.00 0.00 C ATOM 1775 O ALA A 108 2.065 3.307 0.370 1.00 0.00 O ATOM 1776 CB ALA A 108 3.608 3.698 -2.271 1.00 0.00 C ATOM 0 H ALA A 108 2.352 5.678 -0.970 1.00 0.00 H new ATOM 0 HA ALA A 108 1.568 3.487 -2.837 1.00 0.00 H new ATOM 0 HB1 ALA A 108 3.836 2.648 -2.456 1.00 0.00 H new ATOM 0 HB2 ALA A 108 3.862 4.285 -3.154 1.00 0.00 H new ATOM 0 HB3 ALA A 108 4.190 4.052 -1.420 1.00 0.00 H new ATOM 1782 N LEU A 109 0.877 2.001 -1.044 1.00 0.00 N ATOM 1783 CA LEU A 109 0.382 1.125 0.004 1.00 0.00 C ATOM 1784 C LEU A 109 1.166 -0.189 -0.023 1.00 0.00 C ATOM 1785 O LEU A 109 1.445 -0.727 -1.094 1.00 0.00 O ATOM 1786 CB LEU A 109 -1.132 0.941 -0.121 1.00 0.00 C ATOM 1787 CG LEU A 109 -1.995 1.975 0.603 1.00 0.00 C ATOM 1788 CD1 LEU A 109 -3.388 2.063 -0.025 1.00 0.00 C ATOM 1789 CD2 LEU A 109 -2.060 1.682 2.103 1.00 0.00 C ATOM 0 H LEU A 109 0.559 1.764 -1.984 1.00 0.00 H new ATOM 0 HA LEU A 109 0.545 1.574 0.984 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -1.394 0.955 -1.179 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -1.390 -0.048 0.258 1.00 0.00 H new ATOM 0 HG LEU A 109 -1.527 2.952 0.486 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -3.981 2.805 0.509 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -3.298 2.355 -1.071 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -3.878 1.092 0.040 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.680 2.432 2.594 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -2.492 0.694 2.262 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -1.055 1.711 2.523 1.00 0.00 H new ATOM 1801 N TRP A 110 1.498 -0.668 1.166 1.00 0.00 N ATOM 1802 CA TRP A 110 2.244 -1.908 1.292 1.00 0.00 C ATOM 1803 C TRP A 110 1.513 -2.800 2.298 1.00 0.00 C ATOM 1804 O TRP A 110 0.968 -2.310 3.286 1.00 0.00 O ATOM 1805 CB TRP A 110 3.699 -1.637 1.681 1.00 0.00 C ATOM 1806 CG TRP A 110 4.093 -2.201 3.047 1.00 0.00 C ATOM 1807 CD1 TRP A 110 4.212 -1.543 4.209 1.00 0.00 C ATOM 1808 CD2 TRP A 110 4.418 -3.575 3.349 1.00 0.00 C ATOM 1809 NE1 TRP A 110 4.588 -2.389 5.233 1.00 0.00 N ATOM 1810 CE2 TRP A 110 4.718 -3.663 4.693 1.00 0.00 C ATOM 1811 CE3 TRP A 110 4.458 -4.705 2.513 1.00 0.00 C ATOM 1812 CZ2 TRP A 110 5.078 -4.862 5.321 1.00 0.00 C ATOM 1813 CZ3 TRP A 110 4.819 -5.895 3.156 1.00 0.00 C ATOM 1814 CH2 TRP A 110 5.124 -6.001 4.508 1.00 0.00 C ATOM 0 H TRP A 110 1.264 -0.219 2.052 1.00 0.00 H new ATOM 0 HA TRP A 110 2.291 -2.428 0.335 1.00 0.00 H new ATOM 0 HB2 TRP A 110 4.353 -2.064 0.921 1.00 0.00 H new ATOM 0 HB3 TRP A 110 3.870 -0.560 1.681 1.00 0.00 H new ATOM 0 HD1 TRP A 110 4.036 -0.484 4.329 1.00 0.00 H new ATOM 0 HE1 TRP A 110 4.742 -2.127 6.207 1.00 0.00 H new ATOM 0 HE3 TRP A 110 4.228 -4.659 1.459 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 5.308 -4.906 6.375 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 4.864 -6.794 2.559 1.00 0.00 H new ATOM 0 HH2 TRP A 110 5.395 -6.958 4.929 1.00 0.00 H new ATOM 1825 N VAL A 111 1.525 -4.094 2.011 1.00 0.00 N ATOM 1826 CA VAL A 111 0.869 -5.058 2.878 1.00 0.00 C ATOM 1827 C VAL A 111 1.487 -6.440 2.656 1.00 0.00 C ATOM 1828 O VAL A 111 1.652 -6.874 1.517 1.00 0.00 O ATOM 1829 CB VAL A 111 -0.642 -5.034 2.640 1.00 0.00 C ATOM 1830 CG1 VAL A 111 -1.163 -3.597 2.573 1.00 0.00 C ATOM 1831 CG2 VAL A 111 -1.010 -5.811 1.375 1.00 0.00 C ATOM 0 H VAL A 111 1.978 -4.497 1.191 1.00 0.00 H new ATOM 0 HA VAL A 111 1.023 -4.797 3.925 1.00 0.00 H new ATOM 0 HB VAL A 111 -1.123 -5.525 3.486 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -2.240 -3.608 2.403 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -0.949 -3.088 3.513 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -0.672 -3.070 1.755 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -2.090 -5.778 1.229 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -0.514 -5.362 0.515 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -0.689 -6.848 1.478 1.00 0.00 H new ATOM 1841 N ASP A 112 1.813 -7.092 3.762 1.00 0.00 N ATOM 1842 CA ASP A 112 2.410 -8.416 3.703 1.00 0.00 C ATOM 1843 C ASP A 112 1.445 -9.433 4.316 1.00 0.00 C ATOM 1844 O ASP A 112 0.757 -9.133 5.290 1.00 0.00 O ATOM 1845 CB ASP A 112 3.717 -8.467 4.495 1.00 0.00 C ATOM 1846 CG ASP A 112 4.060 -9.834 5.090 1.00 0.00 C ATOM 1847 OD1 ASP A 112 4.344 -10.748 4.286 1.00 0.00 O ATOM 1848 OD2 ASP A 112 4.030 -9.935 6.335 1.00 0.00 O ATOM 0 H ASP A 112 1.675 -6.728 4.705 1.00 0.00 H new ATOM 0 HA ASP A 112 2.613 -8.648 2.658 1.00 0.00 H new ATOM 0 HB2 ASP A 112 4.532 -8.157 3.842 1.00 0.00 H new ATOM 0 HB3 ASP A 112 3.663 -7.739 5.304 1.00 0.00 H new ATOM 1853 N TRP A 113 1.426 -10.616 3.719 1.00 0.00 N ATOM 1854 CA TRP A 113 0.557 -11.679 4.194 1.00 0.00 C ATOM 1855 C TRP A 113 1.440 -12.837 4.665 1.00 0.00 C ATOM 1856 O TRP A 113 0.935 -13.870 5.102 1.00 0.00 O ATOM 1857 CB TRP A 113 -0.445 -12.092 3.115 1.00 0.00 C ATOM 1858 CG TRP A 113 -1.872 -12.288 3.632 1.00 0.00 C ATOM 1859 CD1 TRP A 113 -2.867 -11.391 3.666 1.00 0.00 C ATOM 1860 CD2 TRP A 113 -2.426 -13.498 4.190 1.00 0.00 C ATOM 1861 NE1 TRP A 113 -4.017 -11.932 4.204 1.00 0.00 N ATOM 1862 CE2 TRP A 113 -3.740 -13.254 4.532 1.00 0.00 C ATOM 1863 CE3 TRP A 113 -1.836 -14.757 4.399 1.00 0.00 C ATOM 1864 CZ2 TRP A 113 -4.576 -14.221 5.104 1.00 0.00 C ATOM 1865 CZ3 TRP A 113 -2.684 -15.712 4.971 1.00 0.00 C ATOM 1866 CH2 TRP A 113 -4.009 -15.483 5.321 1.00 0.00 C ATOM 0 H TRP A 113 1.998 -10.861 2.911 1.00 0.00 H new ATOM 0 HA TRP A 113 -0.046 -11.337 5.035 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -0.454 -11.333 2.333 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -0.106 -13.020 2.655 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -2.780 -10.373 3.316 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -4.906 -11.450 4.337 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -0.810 -14.970 4.139 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -5.602 -14.005 5.364 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -2.280 -16.697 5.153 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -4.599 -16.275 5.758 1.00 0.00 H new ATOM 1877 N GLU A 114 2.744 -12.625 4.559 1.00 0.00 N ATOM 1878 CA GLU A 114 3.702 -13.638 4.968 1.00 0.00 C ATOM 1879 C GLU A 114 4.027 -13.491 6.456 1.00 0.00 C ATOM 1880 O GLU A 114 3.990 -14.468 7.202 1.00 0.00 O ATOM 1881 CB GLU A 114 4.973 -13.565 4.119 1.00 0.00 C ATOM 1882 CG GLU A 114 5.191 -14.868 3.346 1.00 0.00 C ATOM 1883 CD GLU A 114 5.421 -16.040 4.303 1.00 0.00 C ATOM 1884 OE1 GLU A 114 6.404 -15.961 5.071 1.00 0.00 O ATOM 1885 OE2 GLU A 114 4.609 -16.989 4.243 1.00 0.00 O ATOM 0 H GLU A 114 3.159 -11.767 4.196 1.00 0.00 H new ATOM 0 HA GLU A 114 3.254 -14.619 4.809 1.00 0.00 H new ATOM 0 HB2 GLU A 114 4.901 -12.731 3.421 1.00 0.00 H new ATOM 0 HB3 GLU A 114 5.833 -13.370 4.760 1.00 0.00 H new ATOM 0 HG2 GLU A 114 4.324 -15.072 2.717 1.00 0.00 H new ATOM 0 HG3 GLU A 114 6.049 -14.762 2.682 1.00 0.00 H new ATOM 1892 N ASN A 115 4.338 -12.263 6.842 1.00 0.00 N ATOM 1893 CA ASN A 115 4.670 -11.975 8.227 1.00 0.00 C ATOM 1894 C ASN A 115 3.637 -11.004 8.803 1.00 0.00 C ATOM 1895 O ASN A 115 3.860 -10.409 9.856 1.00 0.00 O ATOM 1896 CB ASN A 115 6.048 -11.321 8.339 1.00 0.00 C ATOM 1897 CG ASN A 115 6.929 -12.066 9.344 1.00 0.00 C ATOM 1898 OD1 ASN A 115 6.859 -11.858 10.544 1.00 0.00 O ATOM 1899 ND2 ASN A 115 7.760 -12.944 8.789 1.00 0.00 N ATOM 0 H ASN A 115 4.367 -11.455 6.220 1.00 0.00 H new ATOM 0 HA ASN A 115 4.673 -12.917 8.776 1.00 0.00 H new ATOM 0 HB2 ASN A 115 6.531 -11.313 7.362 1.00 0.00 H new ATOM 0 HB3 ASN A 115 5.937 -10.282 8.648 1.00 0.00 H new ATOM 0 HD21 ASN A 115 8.389 -13.492 9.376 1.00 0.00 H new ATOM 0 HD22 ASN A 115 7.768 -13.069 7.777 1.00 0.00 H new ATOM 1906 N LYS A 116 2.530 -10.875 8.087 1.00 0.00 N ATOM 1907 CA LYS A 116 1.463 -9.986 8.514 1.00 0.00 C ATOM 1908 C LYS A 116 2.045 -8.603 8.812 1.00 0.00 C ATOM 1909 O LYS A 116 1.950 -8.115 9.937 1.00 0.00 O ATOM 1910 CB LYS A 116 0.695 -10.596 9.689 1.00 0.00 C ATOM 1911 CG LYS A 116 1.591 -10.722 10.923 1.00 0.00 C ATOM 1912 CD LYS A 116 0.756 -10.925 12.189 1.00 0.00 C ATOM 1913 CE LYS A 116 1.599 -11.534 13.311 1.00 0.00 C ATOM 1914 NZ LYS A 116 1.108 -11.082 14.632 1.00 0.00 N ATOM 0 H LYS A 116 2.349 -11.371 7.214 1.00 0.00 H new ATOM 0 HA LYS A 116 0.731 -9.859 7.716 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -0.169 -9.975 9.925 1.00 0.00 H new ATOM 0 HB3 LYS A 116 0.315 -11.579 9.409 1.00 0.00 H new ATOM 0 HG2 LYS A 116 2.275 -11.561 10.796 1.00 0.00 H new ATOM 0 HG3 LYS A 116 2.202 -9.825 11.026 1.00 0.00 H new ATOM 0 HD2 LYS A 116 0.346 -9.969 12.515 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -0.090 -11.577 11.970 1.00 0.00 H new ATOM 0 HE2 LYS A 116 1.559 -12.622 13.254 1.00 0.00 H new ATOM 0 HE3 LYS A 116 2.643 -11.246 13.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 1.691 -11.505 15.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 1.169 -10.045 14.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 0.119 -11.378 14.754 1.00 0.00 H new ATOM 1928 N LEU A 117 2.634 -8.010 7.784 1.00 0.00 N ATOM 1929 CA LEU A 117 3.231 -6.693 7.922 1.00 0.00 C ATOM 1930 C LEU A 117 2.662 -5.764 6.847 1.00 0.00 C ATOM 1931 O LEU A 117 2.847 -6.002 5.655 1.00 0.00 O ATOM 1932 CB LEU A 117 4.758 -6.792 7.902 1.00 0.00 C ATOM 1933 CG LEU A 117 5.510 -5.717 8.689 1.00 0.00 C ATOM 1934 CD1 LEU A 117 4.543 -4.857 9.505 1.00 0.00 C ATOM 1935 CD2 LEU A 117 6.601 -6.339 9.563 1.00 0.00 C ATOM 0 H LEU A 117 2.710 -8.418 6.852 1.00 0.00 H new ATOM 0 HA LEU A 117 2.975 -6.259 8.888 1.00 0.00 H new ATOM 0 HB2 LEU A 117 5.044 -7.768 8.294 1.00 0.00 H new ATOM 0 HB3 LEU A 117 5.091 -6.755 6.865 1.00 0.00 H new ATOM 0 HG LEU A 117 6.005 -5.057 7.977 1.00 0.00 H new ATOM 0 HD11 LEU A 117 5.104 -4.101 10.055 1.00 0.00 H new ATOM 0 HD12 LEU A 117 3.836 -4.368 8.834 1.00 0.00 H new ATOM 0 HD13 LEU A 117 3.999 -5.488 10.208 1.00 0.00 H new ATOM 0 HD21 LEU A 117 7.120 -5.553 10.112 1.00 0.00 H new ATOM 0 HD22 LEU A 117 6.149 -7.036 10.269 1.00 0.00 H new ATOM 0 HD23 LEU A 117 7.313 -6.872 8.932 1.00 0.00 H new ATOM 1947 N VAL A 118 1.980 -4.726 7.308 1.00 0.00 N ATOM 1948 CA VAL A 118 1.382 -3.761 6.401 1.00 0.00 C ATOM 1949 C VAL A 118 1.663 -2.346 6.912 1.00 0.00 C ATOM 1950 O VAL A 118 2.014 -2.161 8.076 1.00 0.00 O ATOM 1951 CB VAL A 118 -0.111 -4.052 6.237 1.00 0.00 C ATOM 1952 CG1 VAL A 118 -0.359 -5.548 6.035 1.00 0.00 C ATOM 1953 CG2 VAL A 118 -0.908 -3.521 7.431 1.00 0.00 C ATOM 0 H VAL A 118 1.828 -4.532 8.298 1.00 0.00 H new ATOM 0 HA VAL A 118 1.826 -3.843 5.409 1.00 0.00 H new ATOM 0 HB VAL A 118 -0.457 -3.531 5.344 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -1.428 -5.727 5.921 1.00 0.00 H new ATOM 0 HG12 VAL A 118 0.163 -5.886 5.140 1.00 0.00 H new ATOM 0 HG13 VAL A 118 0.011 -6.098 6.900 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -1.966 -3.741 7.289 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -0.557 -4.000 8.345 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -0.769 -2.443 7.511 1.00 0.00 H new ATOM 1963 N GLY A 119 1.497 -1.384 6.016 1.00 0.00 N ATOM 1964 CA GLY A 119 1.728 0.008 6.361 1.00 0.00 C ATOM 1965 C GLY A 119 1.611 0.905 5.127 1.00 0.00 C ATOM 1966 O GLY A 119 2.124 0.569 4.060 1.00 0.00 O ATOM 0 H GLY A 119 1.205 -1.542 5.051 1.00 0.00 H new ATOM 0 HA2 GLY A 119 1.007 0.324 7.115 1.00 0.00 H new ATOM 0 HA3 GLY A 119 2.719 0.118 6.802 1.00 0.00 H new ATOM 1970 N ASN A 120 0.935 2.029 5.314 1.00 0.00 N ATOM 1971 CA ASN A 120 0.745 2.977 4.229 1.00 0.00 C ATOM 1972 C ASN A 120 2.010 3.823 4.070 1.00 0.00 C ATOM 1973 O ASN A 120 2.882 3.810 4.936 1.00 0.00 O ATOM 1974 CB ASN A 120 -0.422 3.922 4.521 1.00 0.00 C ATOM 1975 CG ASN A 120 -0.397 4.391 5.978 1.00 0.00 C ATOM 1976 OD1 ASN A 120 -0.115 3.637 6.895 1.00 0.00 O ATOM 1977 ND2 ASN A 120 -0.707 5.674 6.138 1.00 0.00 N ATOM 0 H ASN A 120 0.512 2.305 6.200 1.00 0.00 H new ATOM 0 HA ASN A 120 0.533 2.412 3.321 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -0.371 4.785 3.857 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -1.365 3.416 4.314 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -0.719 6.083 7.072 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -0.933 6.249 5.326 1.00 0.00 H new ATOM 1984 N GLU A 121 2.068 4.539 2.956 1.00 0.00 N ATOM 1985 CA GLU A 121 3.211 5.389 2.672 1.00 0.00 C ATOM 1986 C GLU A 121 4.342 4.568 2.049 1.00 0.00 C ATOM 1987 O GLU A 121 4.543 3.409 2.409 1.00 0.00 O ATOM 1988 CB GLU A 121 3.688 6.107 3.936 1.00 0.00 C ATOM 1989 CG GLU A 121 3.885 7.602 3.676 1.00 0.00 C ATOM 1990 CD GLU A 121 5.362 7.986 3.775 1.00 0.00 C ATOM 1991 OE1 GLU A 121 6.071 7.319 4.560 1.00 0.00 O ATOM 1992 OE2 GLU A 121 5.750 8.938 3.064 1.00 0.00 O ATOM 0 H GLU A 121 1.342 4.547 2.240 1.00 0.00 H new ATOM 0 HA GLU A 121 2.903 6.150 1.955 1.00 0.00 H new ATOM 0 HB2 GLU A 121 2.960 5.966 4.735 1.00 0.00 H new ATOM 0 HB3 GLU A 121 4.625 5.667 4.277 1.00 0.00 H new ATOM 0 HG2 GLU A 121 3.505 7.856 2.686 1.00 0.00 H new ATOM 0 HG3 GLU A 121 3.306 8.179 4.397 1.00 0.00 H new ATOM 1999 N PRO A 122 5.069 5.217 1.100 1.00 0.00 N ATOM 2000 CA PRO A 122 6.174 4.559 0.423 1.00 0.00 C ATOM 2001 C PRO A 122 7.395 4.458 1.339 1.00 0.00 C ATOM 2002 O PRO A 122 8.058 3.423 1.383 1.00 0.00 O ATOM 2003 CB PRO A 122 6.430 5.398 -0.818 1.00 0.00 C ATOM 2004 CG PRO A 122 5.776 6.745 -0.553 1.00 0.00 C ATOM 2005 CD PRO A 122 4.859 6.589 0.648 1.00 0.00 C ATOM 0 HA PRO A 122 5.947 3.528 0.151 1.00 0.00 H new ATOM 0 HB2 PRO A 122 7.499 5.512 -0.999 1.00 0.00 H new ATOM 0 HB3 PRO A 122 6.005 4.925 -1.704 1.00 0.00 H new ATOM 0 HG2 PRO A 122 6.533 7.505 -0.359 1.00 0.00 H new ATOM 0 HG3 PRO A 122 5.210 7.073 -1.425 1.00 0.00 H new ATOM 0 HD2 PRO A 122 5.107 7.306 1.431 1.00 0.00 H new ATOM 0 HD3 PRO A 122 3.818 6.761 0.376 1.00 0.00 H new ATOM 2013 N ALA A 123 7.655 5.547 2.048 1.00 0.00 N ATOM 2014 CA ALA A 123 8.785 5.593 2.960 1.00 0.00 C ATOM 2015 C ALA A 123 8.592 4.546 4.059 1.00 0.00 C ATOM 2016 O ALA A 123 9.562 3.984 4.564 1.00 0.00 O ATOM 2017 CB ALA A 123 8.930 7.009 3.523 1.00 0.00 C ATOM 0 H ALA A 123 7.103 6.404 2.009 1.00 0.00 H new ATOM 0 HA ALA A 123 9.710 5.354 2.436 1.00 0.00 H new ATOM 0 HB1 ALA A 123 9.778 7.043 4.207 1.00 0.00 H new ATOM 0 HB2 ALA A 123 9.095 7.711 2.705 1.00 0.00 H new ATOM 0 HB3 ALA A 123 8.021 7.283 4.058 1.00 0.00 H new ATOM 2023 N ASP A 124 7.331 4.316 4.397 1.00 0.00 N ATOM 2024 CA ASP A 124 6.998 3.347 5.427 1.00 0.00 C ATOM 2025 C ASP A 124 7.569 1.981 5.040 1.00 0.00 C ATOM 2026 O ASP A 124 8.085 1.257 5.890 1.00 0.00 O ATOM 2027 CB ASP A 124 5.482 3.201 5.576 1.00 0.00 C ATOM 2028 CG ASP A 124 4.933 3.543 6.962 1.00 0.00 C ATOM 2029 OD1 ASP A 124 5.755 3.938 7.817 1.00 0.00 O ATOM 2030 OD2 ASP A 124 3.703 3.401 7.136 1.00 0.00 O ATOM 0 H ASP A 124 6.528 4.784 3.976 1.00 0.00 H new ATOM 0 HA ASP A 124 7.421 3.697 6.369 1.00 0.00 H new ATOM 0 HB2 ASP A 124 4.996 3.843 4.841 1.00 0.00 H new ATOM 0 HB3 ASP A 124 5.206 2.174 5.335 1.00 0.00 H new ATOM 2035 N ILE A 125 7.457 1.671 3.757 1.00 0.00 N ATOM 2036 CA ILE A 125 7.956 0.405 3.247 1.00 0.00 C ATOM 2037 C ILE A 125 9.416 0.230 3.668 1.00 0.00 C ATOM 2038 O ILE A 125 9.765 -0.754 4.318 1.00 0.00 O ATOM 2039 CB ILE A 125 7.737 0.313 1.736 1.00 0.00 C ATOM 2040 CG1 ILE A 125 6.615 -0.674 1.404 1.00 0.00 C ATOM 2041 CG2 ILE A 125 9.039 -0.036 1.013 1.00 0.00 C ATOM 2042 CD1 ILE A 125 6.839 -1.317 0.033 1.00 0.00 C ATOM 0 H ILE A 125 7.028 2.274 3.055 1.00 0.00 H new ATOM 0 HA ILE A 125 7.398 -0.426 3.678 1.00 0.00 H new ATOM 0 HB ILE A 125 7.422 1.293 1.376 1.00 0.00 H new ATOM 0 HG12 ILE A 125 6.568 -1.448 2.170 1.00 0.00 H new ATOM 0 HG13 ILE A 125 5.656 -0.157 1.415 1.00 0.00 H new ATOM 0 HG21 ILE A 125 8.855 -0.095 -0.060 1.00 0.00 H new ATOM 0 HG22 ILE A 125 9.783 0.735 1.211 1.00 0.00 H new ATOM 0 HG23 ILE A 125 9.408 -0.997 1.371 1.00 0.00 H new ATOM 0 HD11 ILE A 125 6.028 -2.014 -0.179 1.00 0.00 H new ATOM 0 HD12 ILE A 125 6.861 -0.542 -0.733 1.00 0.00 H new ATOM 0 HD13 ILE A 125 7.788 -1.854 0.033 1.00 0.00 H new ATOM 2054 N ASP A 126 10.231 1.201 3.281 1.00 0.00 N ATOM 2055 CA ASP A 126 11.646 1.167 3.611 1.00 0.00 C ATOM 2056 C ASP A 126 11.817 0.695 5.056 1.00 0.00 C ATOM 2057 O ASP A 126 12.591 -0.223 5.326 1.00 0.00 O ATOM 2058 CB ASP A 126 12.273 2.557 3.489 1.00 0.00 C ATOM 2059 CG ASP A 126 13.373 2.861 4.509 1.00 0.00 C ATOM 2060 OD1 ASP A 126 14.150 1.926 4.801 1.00 0.00 O ATOM 2061 OD2 ASP A 126 13.412 4.021 4.972 1.00 0.00 O ATOM 0 H ASP A 126 9.938 2.016 2.742 1.00 0.00 H new ATOM 0 HA ASP A 126 12.139 0.487 2.916 1.00 0.00 H new ATOM 0 HB2 ASP A 126 12.687 2.666 2.487 1.00 0.00 H new ATOM 0 HB3 ASP A 126 11.486 3.304 3.592 1.00 0.00 H new ATOM 2066 N LYS A 127 11.082 1.344 5.948 1.00 0.00 N ATOM 2067 CA LYS A 127 11.144 1.002 7.358 1.00 0.00 C ATOM 2068 C LYS A 127 10.770 -0.471 7.539 1.00 0.00 C ATOM 2069 O LYS A 127 11.550 -1.250 8.084 1.00 0.00 O ATOM 2070 CB LYS A 127 10.279 1.961 8.180 1.00 0.00 C ATOM 2071 CG LYS A 127 11.090 3.173 8.640 1.00 0.00 C ATOM 2072 CD LYS A 127 11.638 3.953 7.443 1.00 0.00 C ATOM 2073 CE LYS A 127 10.578 4.898 6.873 1.00 0.00 C ATOM 2074 NZ LYS A 127 10.422 6.086 7.742 1.00 0.00 N ATOM 0 H LYS A 127 10.441 2.104 5.721 1.00 0.00 H new ATOM 0 HA LYS A 127 12.160 1.122 7.734 1.00 0.00 H new ATOM 0 HB2 LYS A 127 9.430 2.293 7.583 1.00 0.00 H new ATOM 0 HB3 LYS A 127 9.875 1.439 9.047 1.00 0.00 H new ATOM 0 HG2 LYS A 127 10.463 3.825 9.247 1.00 0.00 H new ATOM 0 HG3 LYS A 127 11.915 2.844 9.273 1.00 0.00 H new ATOM 0 HD2 LYS A 127 12.514 4.525 7.747 1.00 0.00 H new ATOM 0 HD3 LYS A 127 11.964 3.258 6.670 1.00 0.00 H new ATOM 0 HE2 LYS A 127 10.863 5.210 5.868 1.00 0.00 H new ATOM 0 HE3 LYS A 127 9.625 4.376 6.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 9.887 6.819 7.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 9.909 5.819 8.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 11.360 6.456 7.996 1.00 0.00 H new ATOM 2088 N TYR A 128 9.577 -0.807 7.070 1.00 0.00 N ATOM 2089 CA TYR A 128 9.091 -2.173 7.173 1.00 0.00 C ATOM 2090 C TYR A 128 9.873 -3.104 6.244 1.00 0.00 C ATOM 2091 O TYR A 128 10.769 -3.820 6.688 1.00 0.00 O ATOM 2092 CB TYR A 128 7.629 -2.135 6.725 1.00 0.00 C ATOM 2093 CG TYR A 128 6.792 -1.061 7.423 1.00 0.00 C ATOM 2094 CD1 TYR A 128 6.956 -0.828 8.773 1.00 0.00 C ATOM 2095 CD2 TYR A 128 5.873 -0.326 6.703 1.00 0.00 C ATOM 2096 CE1 TYR A 128 6.168 0.182 9.431 1.00 0.00 C ATOM 2097 CE2 TYR A 128 5.085 0.685 7.360 1.00 0.00 C ATOM 2098 CZ TYR A 128 5.272 0.889 8.692 1.00 0.00 C ATOM 2099 OH TYR A 128 4.528 1.843 9.313 1.00 0.00 O ATOM 0 H TYR A 128 8.933 -0.158 6.618 1.00 0.00 H new ATOM 0 HA TYR A 128 9.207 -2.546 8.191 1.00 0.00 H new ATOM 0 HB2 TYR A 128 7.594 -1.966 5.649 1.00 0.00 H new ATOM 0 HB3 TYR A 128 7.178 -3.110 6.910 1.00 0.00 H new ATOM 0 HD1 TYR A 128 7.676 -1.403 9.337 1.00 0.00 H new ATOM 0 HD2 TYR A 128 5.744 -0.509 5.646 1.00 0.00 H new ATOM 0 HE1 TYR A 128 6.286 0.373 10.487 1.00 0.00 H new ATOM 0 HE2 TYR A 128 4.362 1.268 6.808 1.00 0.00 H new ATOM 0 HH TYR A 128 3.855 2.189 8.691 1.00 0.00 H new ATOM 2109 N ILE A 129 9.504 -3.065 4.972 1.00 0.00 N ATOM 2110 CA ILE A 129 10.159 -3.897 3.977 1.00 0.00 C ATOM 2111 C ILE A 129 10.417 -3.069 2.717 1.00 0.00 C ATOM 2112 O ILE A 129 9.600 -3.061 1.797 1.00 0.00 O ATOM 2113 CB ILE A 129 9.346 -5.168 3.722 1.00 0.00 C ATOM 2114 CG1 ILE A 129 7.872 -4.956 4.074 1.00 0.00 C ATOM 2115 CG2 ILE A 129 9.948 -6.362 4.465 1.00 0.00 C ATOM 2116 CD1 ILE A 129 7.338 -3.666 3.448 1.00 0.00 C ATOM 0 H ILE A 129 8.760 -2.470 4.608 1.00 0.00 H new ATOM 0 HA ILE A 129 11.129 -4.235 4.341 1.00 0.00 H new ATOM 0 HB ILE A 129 9.392 -5.396 2.657 1.00 0.00 H new ATOM 0 HG12 ILE A 129 7.285 -5.805 3.723 1.00 0.00 H new ATOM 0 HG13 ILE A 129 7.756 -4.914 5.157 1.00 0.00 H new ATOM 0 HG21 ILE A 129 9.351 -7.252 4.267 1.00 0.00 H new ATOM 0 HG22 ILE A 129 10.970 -6.526 4.122 1.00 0.00 H new ATOM 0 HG23 ILE A 129 9.953 -6.159 5.536 1.00 0.00 H new ATOM 0 HD11 ILE A 129 6.289 -3.540 3.714 1.00 0.00 H new ATOM 0 HD12 ILE A 129 7.911 -2.817 3.820 1.00 0.00 H new ATOM 0 HD13 ILE A 129 7.433 -3.721 2.364 1.00 0.00 H new ATOM 2128 N ILE A 130 11.556 -2.393 2.715 1.00 0.00 N ATOM 2129 CA ILE A 130 11.933 -1.563 1.582 1.00 0.00 C ATOM 2130 C ILE A 130 11.269 -2.106 0.315 1.00 0.00 C ATOM 2131 O ILE A 130 10.043 -2.150 0.222 1.00 0.00 O ATOM 2132 CB ILE A 130 13.455 -1.455 1.480 1.00 0.00 C ATOM 2133 CG1 ILE A 130 14.114 -2.828 1.628 1.00 0.00 C ATOM 2134 CG2 ILE A 130 14.002 -0.445 2.491 1.00 0.00 C ATOM 2135 CD1 ILE A 130 14.915 -3.189 0.376 1.00 0.00 C ATOM 0 H ILE A 130 12.231 -2.403 3.480 1.00 0.00 H new ATOM 0 HA ILE A 130 11.573 -0.544 1.720 1.00 0.00 H new ATOM 0 HB ILE A 130 13.705 -1.084 0.486 1.00 0.00 H new ATOM 0 HG12 ILE A 130 14.772 -2.828 2.497 1.00 0.00 H new ATOM 0 HG13 ILE A 130 13.350 -3.585 1.806 1.00 0.00 H new ATOM 0 HG21 ILE A 130 15.086 -0.387 2.397 1.00 0.00 H new ATOM 0 HG22 ILE A 130 13.568 0.536 2.296 1.00 0.00 H new ATOM 0 HG23 ILE A 130 13.741 -0.763 3.500 1.00 0.00 H new ATOM 0 HD11 ILE A 130 15.373 -4.169 0.507 1.00 0.00 H new ATOM 0 HD12 ILE A 130 14.250 -3.212 -0.487 1.00 0.00 H new ATOM 0 HD13 ILE A 130 15.694 -2.443 0.215 1.00 0.00 H new ATOM 2147 N GLN A 131 12.107 -2.507 -0.629 1.00 0.00 N ATOM 2148 CA GLN A 131 11.617 -3.045 -1.886 1.00 0.00 C ATOM 2149 C GLN A 131 11.596 -4.574 -1.837 1.00 0.00 C ATOM 2150 O GLN A 131 10.538 -5.188 -1.970 1.00 0.00 O ATOM 2151 CB GLN A 131 12.460 -2.546 -3.062 1.00 0.00 C ATOM 2152 CG GLN A 131 13.849 -2.108 -2.594 1.00 0.00 C ATOM 2153 CD GLN A 131 14.819 -2.011 -3.773 1.00 0.00 C ATOM 2154 OE1 GLN A 131 15.344 -2.997 -4.263 1.00 0.00 O ATOM 2155 NE2 GLN A 131 15.027 -0.768 -4.200 1.00 0.00 N ATOM 0 H GLN A 131 13.123 -2.470 -0.548 1.00 0.00 H new ATOM 0 HA GLN A 131 10.597 -2.692 -2.037 1.00 0.00 H new ATOM 0 HB2 GLN A 131 12.556 -3.336 -3.807 1.00 0.00 H new ATOM 0 HB3 GLN A 131 11.955 -1.710 -3.547 1.00 0.00 H new ATOM 0 HG2 GLN A 131 13.780 -1.142 -2.094 1.00 0.00 H new ATOM 0 HG3 GLN A 131 14.231 -2.819 -1.862 1.00 0.00 H new ATOM 0 HE21 GLN A 131 14.555 0.013 -3.745 1.00 0.00 H new ATOM 0 HE22 GLN A 131 15.658 -0.597 -4.983 1.00 0.00 H new ATOM 2164 N ARG A 132 12.776 -5.144 -1.645 1.00 0.00 N ATOM 2165 CA ARG A 132 12.906 -6.590 -1.576 1.00 0.00 C ATOM 2166 C ARG A 132 12.303 -7.116 -0.272 1.00 0.00 C ATOM 2167 O ARG A 132 11.290 -7.813 -0.289 1.00 0.00 O ATOM 2168 CB ARG A 132 14.373 -7.015 -1.660 1.00 0.00 C ATOM 2169 CG ARG A 132 15.295 -5.910 -1.143 1.00 0.00 C ATOM 2170 CD ARG A 132 16.735 -6.411 -1.017 1.00 0.00 C ATOM 2171 NE ARG A 132 17.334 -5.918 0.243 1.00 0.00 N ATOM 2172 CZ ARG A 132 18.409 -6.465 0.828 1.00 0.00 C ATOM 2173 NH1 ARG A 132 19.009 -7.525 0.270 1.00 0.00 N ATOM 2174 NH2 ARG A 132 18.883 -5.952 1.972 1.00 0.00 N ATOM 0 H ARG A 132 13.651 -4.631 -1.535 1.00 0.00 H new ATOM 0 HA ARG A 132 12.368 -7.012 -2.425 1.00 0.00 H new ATOM 0 HB2 ARG A 132 14.526 -7.923 -1.077 1.00 0.00 H new ATOM 0 HB3 ARG A 132 14.628 -7.252 -2.693 1.00 0.00 H new ATOM 0 HG2 ARG A 132 15.261 -5.057 -1.820 1.00 0.00 H new ATOM 0 HG3 ARG A 132 14.942 -5.561 -0.173 1.00 0.00 H new ATOM 0 HD2 ARG A 132 16.753 -7.501 -1.036 1.00 0.00 H new ATOM 0 HD3 ARG A 132 17.324 -6.068 -1.868 1.00 0.00 H new ATOM 0 HE ARG A 132 16.902 -5.112 0.695 1.00 0.00 H new ATOM 0 HH11 ARG A 132 18.648 -7.916 -0.600 1.00 0.00 H new ATOM 0 HH12 ARG A 132 19.827 -7.941 0.715 1.00 0.00 H new ATOM 0 HH21 ARG A 132 18.426 -5.146 2.397 1.00 0.00 H new ATOM 0 HH22 ARG A 132 19.701 -6.368 2.417 1.00 0.00 H new ATOM 2188 N LYS A 133 12.952 -6.761 0.827 1.00 0.00 N ATOM 2189 CA LYS A 133 12.492 -7.188 2.138 1.00 0.00 C ATOM 2190 C LYS A 133 10.964 -7.139 2.179 1.00 0.00 C ATOM 2191 O LYS A 133 10.333 -6.584 1.281 1.00 0.00 O ATOM 2192 CB LYS A 133 13.164 -6.362 3.237 1.00 0.00 C ATOM 2193 CG LYS A 133 13.632 -7.257 4.387 1.00 0.00 C ATOM 2194 CD LYS A 133 13.041 -6.791 5.719 1.00 0.00 C ATOM 2195 CE LYS A 133 13.851 -7.334 6.898 1.00 0.00 C ATOM 2196 NZ LYS A 133 12.973 -7.568 8.066 1.00 0.00 N ATOM 0 H LYS A 133 13.792 -6.183 0.837 1.00 0.00 H new ATOM 0 HA LYS A 133 12.783 -8.222 2.325 1.00 0.00 H new ATOM 0 HB2 LYS A 133 14.015 -5.822 2.822 1.00 0.00 H new ATOM 0 HB3 LYS A 133 12.466 -5.615 3.614 1.00 0.00 H new ATOM 0 HG2 LYS A 133 13.335 -8.288 4.194 1.00 0.00 H new ATOM 0 HG3 LYS A 133 14.720 -7.244 4.443 1.00 0.00 H new ATOM 0 HD2 LYS A 133 13.027 -5.702 5.754 1.00 0.00 H new ATOM 0 HD3 LYS A 133 12.007 -7.126 5.799 1.00 0.00 H new ATOM 0 HE2 LYS A 133 14.341 -8.264 6.612 1.00 0.00 H new ATOM 0 HE3 LYS A 133 14.638 -6.627 7.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 13.471 -7.290 8.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 12.106 -7.002 7.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 12.724 -8.577 8.117 1.00 0.00 H new TER 2210 LYS A 133