USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 716 hydrogens (11 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 NoAdj-H: B 238 NLE HN2 : B 238 NLE N : B 237 LEU C :(H bumps) USER MOD NoAdj-H: B 238 NLE H : B 238 NLE N : B 237 LEU C :(H bumps) USER MOD Set 1.1: B 233 LYS NZ :NH3+ -170:sc= -14.2! (180deg=-15.3!) USER MOD Set 1.2: B 234 ASN : amide:sc= -5.47! C(o=-20!,f=-21!) USER MOD Set 2.1: A 114 ASN : amide:sc= 0.805 K(o=1.6,f=-8.1!) USER MOD Set 2.2: A 117 HIS : no HE2:sc= 0.836 K(o=1.6,f=-13!) USER MOD Set 3.1: A 87 TYR OH : rot 180:sc= -0.181 USER MOD Set 3.2: A 95 THR OG1 : rot -67:sc= 0.718 USER MOD Single : A 44 TYR OH : rot 67:sc= 0.609 USER MOD Single : A 46 HIS :FLIP no HD1:sc= -3.65 F(o=-4.6,f=-3.6) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -55:sc= 0.202 USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 118:sc= 1.1 USER MOD Single : A 58 THR OG1 : rot -150:sc= -0.639 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.334 X(o=-0.33,f=-0.83) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 150:sc= 0.0427 USER MOD Single : A 66 GLN :FLIP amide:sc= -0.806 F(o=-2.6,f=-0.81) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -0.0568 X(o=-0.057,f=0) USER MOD Single : A 74 SER OG : rot 80:sc= -0.19 USER MOD Single : A 89 ASN : amide:sc= 1.05 K(o=1.1,f=-0.29) USER MOD Single : A 92 LYS NZ :NH3+ -116:sc= -0.289 (180deg=-6.09!) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= 0.473 K(o=0.47,f=-0.042) USER MOD Single : A 96 THR OG1 : rot -39:sc= 0.747 USER MOD Single : A 98 ASN : amide:sc= -2.19! C(o=-2.2!,f=-8.5!) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -0.0203 X(o=-0.02,f=-0.16) USER MOD Single : A 108 THR OG1 : rot 178:sc= -3.25! USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 115 TYR OH : rot -129:sc= -0.354 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : B 229 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 232 HIS : no HD1:sc= -0.0616 X(o=-0.062,f=-0.29) USER MOD Single : B 236 LYS NZ :NH3+ 176:sc= 0.753 (180deg=0.729) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 44 -8.509 7.401 1.568 1.00 0.00 N ATOM 2 CA TYR A 44 -7.969 8.221 0.445 1.00 0.00 C ATOM 3 C TYR A 44 -6.488 7.923 0.204 1.00 0.00 C ATOM 4 O TYR A 44 -5.717 7.793 1.153 1.00 0.00 O ATOM 5 CB TYR A 44 -8.164 9.703 0.785 1.00 0.00 C ATOM 6 CG TYR A 44 -7.992 10.625 -0.402 1.00 0.00 C ATOM 7 CD1 TYR A 44 -6.731 11.057 -0.795 1.00 0.00 C ATOM 8 CD2 TYR A 44 -9.091 11.060 -1.131 1.00 0.00 C ATOM 9 CE1 TYR A 44 -6.573 11.895 -1.882 1.00 0.00 C ATOM 10 CE2 TYR A 44 -8.938 11.900 -2.219 1.00 0.00 C ATOM 11 CZ TYR A 44 -7.678 12.313 -2.589 1.00 0.00 C ATOM 12 OH TYR A 44 -7.523 13.143 -3.676 1.00 0.00 O ATOM 0 HA TYR A 44 -8.506 7.972 -0.471 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -9.161 9.843 1.202 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -7.452 9.986 1.560 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -5.862 10.733 -0.242 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -10.081 10.737 -0.844 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -5.586 12.221 -2.176 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -9.803 12.230 -2.776 1.00 0.00 H new ATOM 0 HH TYR A 44 -7.054 12.663 -4.390 1.00 0.00 H new ATOM 22 N CYS A 45 -6.098 7.806 -1.069 1.00 0.00 N ATOM 23 CA CYS A 45 -4.710 7.516 -1.422 1.00 0.00 C ATOM 24 C CYS A 45 -4.115 8.587 -2.343 1.00 0.00 C ATOM 25 O CYS A 45 -2.989 9.031 -2.133 1.00 0.00 O ATOM 26 CB CYS A 45 -4.608 6.141 -2.082 1.00 0.00 C ATOM 27 SG CYS A 45 -2.940 5.410 -2.017 1.00 0.00 S ATOM 0 H CYS A 45 -6.724 7.908 -1.868 1.00 0.00 H new ATOM 0 HA CYS A 45 -4.132 7.519 -0.498 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -5.310 5.463 -1.596 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -4.916 6.226 -3.124 1.00 0.00 H new ATOM 32 N HIS A 46 -4.871 8.995 -3.368 1.00 0.00 N ATOM 33 CA HIS A 46 -4.396 10.011 -4.317 1.00 0.00 C ATOM 34 C HIS A 46 -5.560 10.702 -5.035 1.00 0.00 C ATOM 35 O HIS A 46 -5.788 11.901 -4.857 1.00 0.00 O ATOM 36 CB HIS A 46 -3.435 9.396 -5.354 1.00 0.00 C ATOM 37 CG HIS A 46 -3.346 7.897 -5.322 1.00 0.00 C ATOM 38 ND1 HIS A 46 -4.306 6.943 -5.395 1.00 0.00 N flip ATOM 39 CD2 HIS A 46 -2.152 7.224 -5.208 1.00 0.00 C flip ATOM 40 CE1 HIS A 46 -3.675 5.724 -5.325 1.00 0.00 C flip ATOM 41 NE2 HIS A 46 -2.375 5.923 -5.213 1.00 0.00 N flip ATOM 0 H HIS A 46 -5.808 8.641 -3.562 1.00 0.00 H new ATOM 0 HA HIS A 46 -3.857 10.760 -3.737 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -3.752 9.706 -6.350 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -2.439 9.808 -5.194 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -1.181 7.689 -5.127 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -4.163 4.761 -5.356 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -1.664 5.195 -5.142 1.00 0.00 H new ATOM 50 N ARG A 47 -6.287 9.941 -5.852 1.00 0.00 N ATOM 51 CA ARG A 47 -7.425 10.479 -6.604 1.00 0.00 C ATOM 52 C ARG A 47 -8.647 10.682 -5.710 1.00 0.00 C ATOM 53 O ARG A 47 -8.904 9.892 -4.800 1.00 0.00 O ATOM 54 CB ARG A 47 -7.790 9.565 -7.785 1.00 0.00 C ATOM 55 CG ARG A 47 -7.640 8.072 -7.499 1.00 0.00 C ATOM 56 CD ARG A 47 -8.177 7.223 -8.641 1.00 0.00 C ATOM 57 NE ARG A 47 -7.104 6.792 -9.549 1.00 0.00 N ATOM 58 CZ ARG A 47 -6.547 5.582 -9.553 1.00 0.00 C ATOM 59 NH1 ARG A 47 -6.929 4.650 -8.697 1.00 0.00 N ATOM 60 NH2 ARG A 47 -5.591 5.307 -10.417 1.00 0.00 N ATOM 0 H ARG A 47 -6.110 8.949 -6.012 1.00 0.00 H new ATOM 0 HA ARG A 47 -7.119 11.451 -6.991 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -8.821 9.764 -8.078 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -7.161 9.824 -8.637 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.588 7.837 -7.334 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -8.170 7.823 -6.580 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -8.685 6.348 -8.236 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -8.920 7.792 -9.200 1.00 0.00 H new ATOM 0 HE ARG A 47 -6.760 7.471 -10.228 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.663 4.851 -8.018 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -6.490 3.729 -8.716 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -5.281 6.019 -11.078 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -5.161 4.382 -10.425 1.00 0.00 H new ATOM 74 N THR A 48 -9.400 11.746 -5.986 1.00 0.00 N ATOM 75 CA THR A 48 -10.608 12.064 -5.215 1.00 0.00 C ATOM 76 C THR A 48 -11.874 11.672 -5.981 1.00 0.00 C ATOM 77 O THR A 48 -12.755 11.011 -5.433 1.00 0.00 O ATOM 78 CB THR A 48 -10.644 13.555 -4.838 1.00 0.00 C ATOM 79 OG1 THR A 48 -11.776 13.842 -4.031 1.00 0.00 O ATOM 80 CG2 THR A 48 -10.683 14.495 -6.026 1.00 0.00 C ATOM 0 H THR A 48 -9.197 12.405 -6.738 1.00 0.00 H new ATOM 0 HA THR A 48 -10.576 11.479 -4.296 1.00 0.00 H new ATOM 0 HB THR A 48 -9.711 13.726 -4.301 1.00 0.00 H new ATOM 0 HG1 THR A 48 -11.780 14.794 -3.800 1.00 0.00 H new ATOM 0 HG21 THR A 48 -10.707 15.526 -5.673 1.00 0.00 H new ATOM 0 HG22 THR A 48 -9.796 14.342 -6.640 1.00 0.00 H new ATOM 0 HG23 THR A 48 -11.575 14.294 -6.620 1.00 0.00 H new ATOM 88 N THR A 49 -11.956 12.074 -7.249 1.00 0.00 N ATOM 89 CA THR A 49 -13.116 11.751 -8.087 1.00 0.00 C ATOM 90 C THR A 49 -12.687 11.415 -9.520 1.00 0.00 C ATOM 91 O THR A 49 -13.400 11.695 -10.485 1.00 0.00 O ATOM 92 CB THR A 49 -14.125 12.908 -8.073 1.00 0.00 C ATOM 93 OG1 THR A 49 -15.377 12.484 -8.581 1.00 0.00 O ATOM 94 CG2 THR A 49 -13.685 14.112 -8.880 1.00 0.00 C ATOM 0 H THR A 49 -11.236 12.623 -7.720 1.00 0.00 H new ATOM 0 HA THR A 49 -13.600 10.867 -7.672 1.00 0.00 H new ATOM 0 HB THR A 49 -14.199 13.208 -7.028 1.00 0.00 H new ATOM 0 HG1 THR A 49 -15.254 12.094 -9.472 1.00 0.00 H new ATOM 0 HG21 THR A 49 -14.449 14.887 -8.822 1.00 0.00 H new ATOM 0 HG22 THR A 49 -12.747 14.496 -8.479 1.00 0.00 H new ATOM 0 HG23 THR A 49 -13.542 13.820 -9.920 1.00 0.00 H new ATOM 102 N ILE A 50 -11.511 10.799 -9.646 1.00 0.00 N ATOM 103 CA ILE A 50 -10.974 10.407 -10.950 1.00 0.00 C ATOM 104 C ILE A 50 -11.250 8.926 -11.235 1.00 0.00 C ATOM 105 O ILE A 50 -11.422 8.529 -12.388 1.00 0.00 O ATOM 106 CB ILE A 50 -9.453 10.676 -11.030 1.00 0.00 C ATOM 107 CG1 ILE A 50 -9.166 12.166 -10.834 1.00 0.00 C ATOM 108 CG2 ILE A 50 -8.891 10.202 -12.363 1.00 0.00 C ATOM 109 CD1 ILE A 50 -7.887 12.441 -10.074 1.00 0.00 C ATOM 0 H ILE A 50 -10.910 10.560 -8.857 1.00 0.00 H new ATOM 0 HA ILE A 50 -11.478 11.012 -11.704 1.00 0.00 H new ATOM 0 HB ILE A 50 -8.964 10.116 -10.233 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -9.110 12.648 -11.810 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -10.001 12.621 -10.301 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -7.820 10.401 -12.398 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -9.065 9.131 -12.471 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -9.385 10.734 -13.176 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -7.748 13.517 -9.973 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -7.947 11.988 -9.084 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -7.043 12.016 -10.617 1.00 0.00 H new ATOM 121 N GLY A 51 -11.301 8.119 -10.174 1.00 0.00 N ATOM 122 CA GLY A 51 -11.569 6.696 -10.322 1.00 0.00 C ATOM 123 C GLY A 51 -12.969 6.331 -9.874 1.00 0.00 C ATOM 124 O GLY A 51 -13.190 6.040 -8.699 1.00 0.00 O ATOM 0 H GLY A 51 -11.161 8.427 -9.212 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -11.436 6.409 -11.365 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -10.843 6.128 -9.740 1.00 0.00 H new ATOM 128 N ASN A 52 -13.915 6.355 -10.812 1.00 0.00 N ATOM 129 CA ASN A 52 -15.310 6.031 -10.507 1.00 0.00 C ATOM 130 C ASN A 52 -15.478 4.546 -10.168 1.00 0.00 C ATOM 131 O ASN A 52 -14.508 3.787 -10.144 1.00 0.00 O ATOM 132 CB ASN A 52 -16.218 6.423 -11.679 1.00 0.00 C ATOM 133 CG ASN A 52 -16.532 7.908 -11.694 1.00 0.00 C ATOM 134 OD1 ASN A 52 -17.598 8.329 -11.256 1.00 0.00 O ATOM 135 ND2 ASN A 52 -15.607 8.711 -12.199 1.00 0.00 N ATOM 0 H ASN A 52 -13.742 6.595 -11.788 1.00 0.00 H new ATOM 0 HA ASN A 52 -15.603 6.606 -9.629 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -15.736 6.146 -12.617 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -17.148 5.858 -11.620 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -15.769 9.717 -12.233 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -14.733 8.323 -12.553 1.00 0.00 H new ATOM 142 N PHE A 53 -16.716 4.143 -9.895 1.00 0.00 N ATOM 143 CA PHE A 53 -17.014 2.753 -9.537 1.00 0.00 C ATOM 144 C PHE A 53 -17.299 1.889 -10.770 1.00 0.00 C ATOM 145 O PHE A 53 -17.628 2.398 -11.842 1.00 0.00 O ATOM 146 CB PHE A 53 -18.202 2.698 -8.569 1.00 0.00 C ATOM 147 CG PHE A 53 -18.143 3.732 -7.475 1.00 0.00 C ATOM 148 CD1 PHE A 53 -17.110 3.722 -6.550 1.00 0.00 C ATOM 149 CD2 PHE A 53 -19.117 4.712 -7.375 1.00 0.00 C ATOM 150 CE1 PHE A 53 -17.051 4.671 -5.547 1.00 0.00 C ATOM 151 CE2 PHE A 53 -19.063 5.664 -6.373 1.00 0.00 C ATOM 152 CZ PHE A 53 -18.028 5.643 -5.459 1.00 0.00 C ATOM 0 H PHE A 53 -17.531 4.756 -9.914 1.00 0.00 H new ATOM 0 HA PHE A 53 -16.129 2.346 -9.049 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -19.125 2.832 -9.133 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -18.245 1.707 -8.117 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -16.343 2.964 -6.614 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -19.928 4.733 -8.088 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -16.241 4.652 -4.832 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -19.829 6.422 -6.306 1.00 0.00 H new ATOM 0 HZ PHE A 53 -17.983 6.386 -4.676 1.00 0.00 H new ATOM 162 N SER A 54 -17.177 0.572 -10.596 1.00 0.00 N ATOM 163 CA SER A 54 -17.424 -0.388 -11.669 1.00 0.00 C ATOM 164 C SER A 54 -17.438 -1.815 -11.122 1.00 0.00 C ATOM 165 O SER A 54 -16.436 -2.535 -11.193 1.00 0.00 O ATOM 166 CB SER A 54 -16.370 -0.256 -12.776 1.00 0.00 C ATOM 167 OG SER A 54 -16.594 -1.206 -13.810 1.00 0.00 O ATOM 0 H SER A 54 -16.905 0.144 -9.711 1.00 0.00 H new ATOM 0 HA SER A 54 -18.402 -0.168 -12.097 1.00 0.00 H new ATOM 0 HB2 SER A 54 -16.398 0.752 -13.191 1.00 0.00 H new ATOM 0 HB3 SER A 54 -15.375 -0.400 -12.355 1.00 0.00 H new ATOM 0 HG SER A 54 -15.910 -1.101 -14.504 1.00 0.00 H new ATOM 173 N GLY A 55 -18.576 -2.212 -10.562 1.00 0.00 N ATOM 174 CA GLY A 55 -18.712 -3.546 -9.994 1.00 0.00 C ATOM 175 C GLY A 55 -19.376 -3.525 -8.629 1.00 0.00 C ATOM 176 O GLY A 55 -18.868 -2.891 -7.701 1.00 0.00 O ATOM 0 H GLY A 55 -19.412 -1.632 -10.490 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -19.297 -4.169 -10.671 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -17.727 -4.005 -9.910 1.00 0.00 H new ATOM 180 N PRO A 56 -20.526 -4.206 -8.472 1.00 0.00 N ATOM 181 CA PRO A 56 -21.257 -4.241 -7.199 1.00 0.00 C ATOM 182 C PRO A 56 -20.561 -5.086 -6.126 1.00 0.00 C ATOM 183 O PRO A 56 -21.062 -6.140 -5.728 1.00 0.00 O ATOM 184 CB PRO A 56 -22.606 -4.853 -7.590 1.00 0.00 C ATOM 185 CG PRO A 56 -22.301 -5.701 -8.774 1.00 0.00 C ATOM 186 CD PRO A 56 -21.214 -4.984 -9.525 1.00 0.00 C ATOM 0 HA PRO A 56 -21.333 -3.251 -6.748 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -23.025 -5.444 -6.776 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -23.337 -4.081 -7.832 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -21.975 -6.695 -8.469 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -23.185 -5.833 -9.398 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -20.537 -5.683 -10.016 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -21.622 -4.337 -10.301 1.00 0.00 H new ATOM 194 N TYR A 57 -19.412 -4.613 -5.645 1.00 0.00 N ATOM 195 CA TYR A 57 -18.675 -5.326 -4.603 1.00 0.00 C ATOM 196 C TYR A 57 -19.216 -4.956 -3.221 1.00 0.00 C ATOM 197 O TYR A 57 -20.101 -4.110 -3.097 1.00 0.00 O ATOM 198 CB TYR A 57 -17.171 -5.024 -4.663 1.00 0.00 C ATOM 199 CG TYR A 57 -16.626 -4.773 -6.057 1.00 0.00 C ATOM 200 CD1 TYR A 57 -16.942 -5.619 -7.116 1.00 0.00 C ATOM 201 CD2 TYR A 57 -15.786 -3.696 -6.311 1.00 0.00 C ATOM 202 CE1 TYR A 57 -16.437 -5.393 -8.384 1.00 0.00 C ATOM 203 CE2 TYR A 57 -15.280 -3.465 -7.577 1.00 0.00 C ATOM 204 CZ TYR A 57 -15.609 -4.317 -8.609 1.00 0.00 C ATOM 205 OH TYR A 57 -15.104 -4.092 -9.870 1.00 0.00 O ATOM 0 H TYR A 57 -18.974 -3.746 -5.957 1.00 0.00 H new ATOM 0 HA TYR A 57 -18.815 -6.393 -4.778 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -16.966 -4.150 -4.045 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -16.629 -5.861 -4.222 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -17.591 -6.465 -6.945 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -15.523 -3.027 -5.505 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -16.692 -6.059 -9.195 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -14.630 -2.621 -7.756 1.00 0.00 H new ATOM 0 HH TYR A 57 -15.420 -3.225 -10.199 1.00 0.00 H new ATOM 215 N THR A 58 -18.687 -5.599 -2.187 1.00 0.00 N ATOM 216 CA THR A 58 -19.129 -5.342 -0.817 1.00 0.00 C ATOM 217 C THR A 58 -18.279 -4.278 -0.129 1.00 0.00 C ATOM 218 O THR A 58 -18.812 -3.304 0.400 1.00 0.00 O ATOM 219 CB THR A 58 -19.094 -6.633 0.000 1.00 0.00 C ATOM 220 OG1 THR A 58 -18.428 -7.661 -0.716 1.00 0.00 O ATOM 221 CG2 THR A 58 -20.468 -7.142 0.353 1.00 0.00 C ATOM 0 H THR A 58 -17.952 -6.302 -2.268 1.00 0.00 H new ATOM 0 HA THR A 58 -20.151 -4.968 -0.873 1.00 0.00 H new ATOM 0 HB THR A 58 -18.563 -6.385 0.919 1.00 0.00 H new ATOM 0 HG1 THR A 58 -18.797 -8.531 -0.458 1.00 0.00 H new ATOM 0 HG21 THR A 58 -20.378 -8.061 0.933 1.00 0.00 H new ATOM 0 HG22 THR A 58 -20.994 -6.391 0.942 1.00 0.00 H new ATOM 0 HG23 THR A 58 -21.027 -7.343 -0.561 1.00 0.00 H new ATOM 229 N TYR A 59 -16.963 -4.476 -0.114 1.00 0.00 N ATOM 230 CA TYR A 59 -16.061 -3.530 0.540 1.00 0.00 C ATOM 231 C TYR A 59 -14.655 -3.569 -0.067 1.00 0.00 C ATOM 232 O TYR A 59 -14.464 -4.069 -1.171 1.00 0.00 O ATOM 233 CB TYR A 59 -16.003 -3.852 2.036 1.00 0.00 C ATOM 234 CG TYR A 59 -16.462 -2.719 2.921 1.00 0.00 C ATOM 235 CD1 TYR A 59 -15.914 -1.449 2.802 1.00 0.00 C ATOM 236 CD2 TYR A 59 -17.443 -2.925 3.880 1.00 0.00 C ATOM 237 CE1 TYR A 59 -16.333 -0.415 3.616 1.00 0.00 C ATOM 238 CE2 TYR A 59 -17.869 -1.897 4.697 1.00 0.00 C ATOM 239 CZ TYR A 59 -17.311 -0.644 4.560 1.00 0.00 C ATOM 240 OH TYR A 59 -17.731 0.384 5.372 1.00 0.00 O ATOM 0 H TYR A 59 -16.500 -5.277 -0.544 1.00 0.00 H new ATOM 0 HA TYR A 59 -16.447 -2.522 0.388 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -16.620 -4.728 2.234 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -14.980 -4.117 2.302 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -15.149 -1.267 2.062 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -17.881 -3.906 3.989 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -15.897 0.568 3.513 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -18.634 -2.073 5.438 1.00 0.00 H new ATOM 0 HH TYR A 59 -18.425 0.057 5.981 1.00 0.00 H new ATOM 250 N CYS A 60 -13.673 -3.041 0.676 1.00 0.00 N ATOM 251 CA CYS A 60 -12.273 -3.013 0.238 1.00 0.00 C ATOM 252 C CYS A 60 -12.000 -1.889 -0.760 1.00 0.00 C ATOM 253 O CYS A 60 -11.823 -2.132 -1.953 1.00 0.00 O ATOM 254 CB CYS A 60 -11.857 -4.353 -0.370 1.00 0.00 C ATOM 255 SG CYS A 60 -12.311 -5.800 0.639 1.00 0.00 S ATOM 0 H CYS A 60 -13.827 -2.623 1.594 1.00 0.00 H new ATOM 0 HA CYS A 60 -11.676 -2.824 1.130 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -12.315 -4.451 -1.354 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -10.777 -4.352 -0.520 1.00 0.00 H new ATOM 260 N ASN A 61 -11.928 -0.658 -0.260 1.00 0.00 N ATOM 261 CA ASN A 61 -11.632 0.491 -1.110 1.00 0.00 C ATOM 262 C ASN A 61 -10.131 0.783 -1.080 1.00 0.00 C ATOM 263 O ASN A 61 -9.394 0.157 -0.313 1.00 0.00 O ATOM 264 CB ASN A 61 -12.429 1.718 -0.657 1.00 0.00 C ATOM 265 CG ASN A 61 -13.376 2.214 -1.730 1.00 0.00 C ATOM 266 OD1 ASN A 61 -13.004 3.027 -2.569 1.00 0.00 O ATOM 267 ND2 ASN A 61 -14.604 1.719 -1.714 1.00 0.00 N ATOM 0 H ASN A 61 -12.070 -0.431 0.724 1.00 0.00 H new ATOM 0 HA ASN A 61 -11.926 0.258 -2.133 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.997 1.469 0.240 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -11.739 2.517 -0.386 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -15.281 2.012 -2.418 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -14.873 1.044 -0.998 1.00 0.00 H new ATOM 274 N THR A 62 -9.675 1.725 -1.910 1.00 0.00 N ATOM 275 CA THR A 62 -8.251 2.069 -1.946 1.00 0.00 C ATOM 276 C THR A 62 -7.730 2.300 -0.527 1.00 0.00 C ATOM 277 O THR A 62 -8.243 3.153 0.204 1.00 0.00 O ATOM 278 CB THR A 62 -7.995 3.294 -2.837 1.00 0.00 C ATOM 279 OG1 THR A 62 -6.636 3.348 -3.244 1.00 0.00 O ATOM 280 CG2 THR A 62 -8.319 4.612 -2.174 1.00 0.00 C ATOM 0 H THR A 62 -10.260 2.255 -2.556 1.00 0.00 H new ATOM 0 HA THR A 62 -7.706 1.232 -2.383 1.00 0.00 H new ATOM 0 HB THR A 62 -8.664 3.163 -3.687 1.00 0.00 H new ATOM 0 HG1 THR A 62 -6.495 4.135 -3.811 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.112 5.428 -2.866 1.00 0.00 H new ATOM 0 HG22 THR A 62 -9.373 4.630 -1.896 1.00 0.00 H new ATOM 0 HG23 THR A 62 -7.706 4.730 -1.280 1.00 0.00 H new ATOM 288 N THR A 63 -6.736 1.506 -0.132 1.00 0.00 N ATOM 289 CA THR A 63 -6.174 1.582 1.214 1.00 0.00 C ATOM 290 C THR A 63 -4.660 1.797 1.179 1.00 0.00 C ATOM 291 O THR A 63 -3.979 1.339 0.262 1.00 0.00 O ATOM 292 CB THR A 63 -6.547 0.298 1.972 1.00 0.00 C ATOM 293 OG1 THR A 63 -7.510 0.576 2.972 1.00 0.00 O ATOM 294 CG2 THR A 63 -5.389 -0.405 2.646 1.00 0.00 C ATOM 0 H THR A 63 -6.303 0.801 -0.728 1.00 0.00 H new ATOM 0 HA THR A 63 -6.592 2.444 1.735 1.00 0.00 H new ATOM 0 HB THR A 63 -6.932 -0.368 1.199 1.00 0.00 H new ATOM 0 HG1 THR A 63 -8.076 -0.212 3.110 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.752 -1.299 3.154 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.650 -0.688 1.897 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.930 0.265 3.373 1.00 0.00 H new ATOM 302 N LEU A 64 -4.139 2.501 2.180 1.00 0.00 N ATOM 303 CA LEU A 64 -2.703 2.780 2.256 1.00 0.00 C ATOM 304 C LEU A 64 -1.987 1.812 3.199 1.00 0.00 C ATOM 305 O LEU A 64 -2.603 0.901 3.753 1.00 0.00 O ATOM 306 CB LEU A 64 -2.470 4.223 2.711 1.00 0.00 C ATOM 307 CG LEU A 64 -1.430 4.996 1.901 1.00 0.00 C ATOM 308 CD1 LEU A 64 -2.107 6.016 1.003 1.00 0.00 C ATOM 309 CD2 LEU A 64 -0.437 5.680 2.824 1.00 0.00 C ATOM 0 H LEU A 64 -4.685 2.889 2.949 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.286 2.642 1.258 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.417 4.760 2.664 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.160 4.213 3.756 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.888 4.288 1.274 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.352 6.557 0.433 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.782 5.505 0.316 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.674 6.719 1.614 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.296 6.226 2.230 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.966 6.375 3.476 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.072 4.931 3.430 1.00 0.00 H new ATOM 321 N ASP A 65 -0.681 2.022 3.369 1.00 0.00 N ATOM 322 CA ASP A 65 0.145 1.183 4.238 1.00 0.00 C ATOM 323 C ASP A 65 1.270 2.007 4.876 1.00 0.00 C ATOM 324 O ASP A 65 1.675 3.037 4.329 1.00 0.00 O ATOM 325 CB ASP A 65 0.739 0.028 3.427 1.00 0.00 C ATOM 326 CG ASP A 65 0.461 -1.328 4.035 1.00 0.00 C ATOM 327 OD1 ASP A 65 0.613 -1.468 5.266 1.00 0.00 O ATOM 328 OD2 ASP A 65 0.100 -2.253 3.272 1.00 0.00 O ATOM 0 H ASP A 65 -0.168 2.775 2.910 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.482 0.782 5.034 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.334 0.056 2.416 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.817 0.168 3.343 1.00 0.00 H new ATOM 333 N GLN A 66 1.788 1.544 6.019 1.00 0.00 N ATOM 334 CA GLN A 66 2.878 2.245 6.705 1.00 0.00 C ATOM 335 C GLN A 66 4.113 2.350 5.806 1.00 0.00 C ATOM 336 O GLN A 66 4.832 3.349 5.831 1.00 0.00 O ATOM 337 CB GLN A 66 3.233 1.530 8.015 1.00 0.00 C ATOM 338 CG GLN A 66 3.664 2.475 9.133 1.00 0.00 C ATOM 339 CD GLN A 66 5.000 3.154 8.873 1.00 0.00 C ATOM 340 OE1 GLN A 66 6.005 2.381 8.489 1.00 0.00 O flip ATOM 341 NE2 GLN A 66 5.130 4.366 9.027 1.00 0.00 N flip ATOM 0 H GLN A 66 1.473 0.693 6.485 1.00 0.00 H new ATOM 0 HA GLN A 66 2.538 3.254 6.937 1.00 0.00 H new ATOM 0 HB2 GLN A 66 2.370 0.955 8.350 1.00 0.00 H new ATOM 0 HB3 GLN A 66 4.036 0.818 7.824 1.00 0.00 H new ATOM 0 HG2 GLN A 66 2.898 3.238 9.268 1.00 0.00 H new ATOM 0 HG3 GLN A 66 3.725 1.916 10.067 1.00 0.00 H new ATOM 0 HE21 GLN A 66 4.334 4.931 9.324 1.00 0.00 H new ATOM 0 HE22 GLN A 66 6.034 4.808 8.858 1.00 0.00 H new ATOM 350 N ILE A 67 4.342 1.310 5.004 1.00 0.00 N ATOM 351 CA ILE A 67 5.476 1.270 4.080 1.00 0.00 C ATOM 352 C ILE A 67 5.195 2.068 2.793 1.00 0.00 C ATOM 353 O ILE A 67 6.089 2.260 1.966 1.00 0.00 O ATOM 354 CB ILE A 67 5.818 -0.195 3.716 1.00 0.00 C ATOM 355 CG1 ILE A 67 6.391 -0.926 4.925 1.00 0.00 C ATOM 356 CG2 ILE A 67 6.806 -0.261 2.559 1.00 0.00 C ATOM 357 CD1 ILE A 67 6.497 -2.418 4.715 1.00 0.00 C ATOM 0 H ILE A 67 3.752 0.478 4.976 1.00 0.00 H new ATOM 0 HA ILE A 67 6.324 1.732 4.586 1.00 0.00 H new ATOM 0 HB ILE A 67 4.893 -0.683 3.407 1.00 0.00 H new ATOM 0 HG12 ILE A 67 7.379 -0.525 5.151 1.00 0.00 H new ATOM 0 HG13 ILE A 67 5.762 -0.730 5.793 1.00 0.00 H new ATOM 0 HG21 ILE A 67 7.026 -1.303 2.327 1.00 0.00 H new ATOM 0 HG22 ILE A 67 6.373 0.222 1.683 1.00 0.00 H new ATOM 0 HG23 ILE A 67 7.727 0.251 2.837 1.00 0.00 H new ATOM 0 HD11 ILE A 67 6.911 -2.883 5.610 1.00 0.00 H new ATOM 0 HD12 ILE A 67 5.507 -2.829 4.518 1.00 0.00 H new ATOM 0 HD13 ILE A 67 7.149 -2.620 3.866 1.00 0.00 H new ATOM 369 N GLY A 68 3.953 2.529 2.624 1.00 0.00 N ATOM 370 CA GLY A 68 3.590 3.283 1.432 1.00 0.00 C ATOM 371 C GLY A 68 2.971 2.403 0.359 1.00 0.00 C ATOM 372 O GLY A 68 3.100 2.684 -0.833 1.00 0.00 O ATOM 0 H GLY A 68 3.194 2.393 3.291 1.00 0.00 H new ATOM 0 HA2 GLY A 68 2.887 4.070 1.703 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.477 3.772 1.030 1.00 0.00 H new ATOM 376 N THR A 69 2.299 1.335 0.787 1.00 0.00 N ATOM 377 CA THR A 69 1.653 0.401 -0.134 1.00 0.00 C ATOM 378 C THR A 69 0.188 0.781 -0.357 1.00 0.00 C ATOM 379 O THR A 69 -0.650 0.598 0.525 1.00 0.00 O ATOM 380 CB THR A 69 1.743 -1.035 0.406 1.00 0.00 C ATOM 381 OG1 THR A 69 3.070 -1.358 0.777 1.00 0.00 O ATOM 382 CG2 THR A 69 1.286 -2.080 -0.587 1.00 0.00 C ATOM 0 H THR A 69 2.188 1.094 1.772 1.00 0.00 H new ATOM 0 HA THR A 69 2.176 0.455 -1.089 1.00 0.00 H new ATOM 0 HB THR A 69 1.076 -1.053 1.268 1.00 0.00 H new ATOM 0 HG1 THR A 69 3.100 -2.276 1.119 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.376 -3.070 -0.140 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.246 -1.896 -0.856 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.906 -2.028 -1.482 1.00 0.00 H new ATOM 390 N CYS A 70 -0.116 1.311 -1.539 1.00 0.00 N ATOM 391 CA CYS A 70 -1.487 1.710 -1.871 1.00 0.00 C ATOM 392 C CYS A 70 -2.267 0.543 -2.460 1.00 0.00 C ATOM 393 O CYS A 70 -2.047 0.147 -3.607 1.00 0.00 O ATOM 394 CB CYS A 70 -1.488 2.886 -2.850 1.00 0.00 C ATOM 395 SG CYS A 70 -3.117 3.674 -3.052 1.00 0.00 S ATOM 0 H CYS A 70 0.563 1.475 -2.282 1.00 0.00 H new ATOM 0 HA CYS A 70 -1.974 2.022 -0.947 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -0.773 3.634 -2.506 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -1.141 2.537 -3.822 1.00 0.00 H new ATOM 400 N TRP A 71 -3.187 0.008 -1.667 1.00 0.00 N ATOM 401 CA TRP A 71 -4.022 -1.109 -2.087 1.00 0.00 C ATOM 402 C TRP A 71 -5.316 -0.592 -2.718 1.00 0.00 C ATOM 403 O TRP A 71 -6.178 -0.052 -2.021 1.00 0.00 O ATOM 404 CB TRP A 71 -4.330 -2.013 -0.890 1.00 0.00 C ATOM 405 CG TRP A 71 -3.100 -2.539 -0.209 1.00 0.00 C ATOM 406 CD1 TRP A 71 -2.448 -1.985 0.857 1.00 0.00 C ATOM 407 CD2 TRP A 71 -2.372 -3.724 -0.551 1.00 0.00 C ATOM 408 NE1 TRP A 71 -1.365 -2.755 1.201 1.00 0.00 N ATOM 409 CE2 TRP A 71 -1.296 -3.829 0.350 1.00 0.00 C ATOM 410 CE3 TRP A 71 -2.528 -4.709 -1.531 1.00 0.00 C ATOM 411 CZ2 TRP A 71 -0.382 -4.879 0.300 1.00 0.00 C ATOM 412 CZ3 TRP A 71 -1.621 -5.751 -1.580 1.00 0.00 C ATOM 413 CH2 TRP A 71 -0.560 -5.831 -0.670 1.00 0.00 C ATOM 0 H TRP A 71 -3.374 0.335 -0.719 1.00 0.00 H new ATOM 0 HA TRP A 71 -3.484 -1.693 -2.834 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -4.926 -1.456 -0.167 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -4.938 -2.853 -1.225 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -2.742 -1.074 1.356 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -0.717 -2.561 1.965 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -3.343 -4.657 -2.238 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 0.438 -4.941 1.001 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -1.733 -6.517 -2.333 1.00 0.00 H new ATOM 0 HH2 TRP A 71 0.131 -6.658 -0.734 1.00 0.00 H new ATOM 424 N PRO A 72 -5.459 -0.736 -4.052 1.00 0.00 N ATOM 425 CA PRO A 72 -6.649 -0.264 -4.784 1.00 0.00 C ATOM 426 C PRO A 72 -7.951 -0.931 -4.328 1.00 0.00 C ATOM 427 O PRO A 72 -7.947 -1.830 -3.483 1.00 0.00 O ATOM 428 CB PRO A 72 -6.340 -0.624 -6.244 1.00 0.00 C ATOM 429 CG PRO A 72 -5.287 -1.676 -6.170 1.00 0.00 C ATOM 430 CD PRO A 72 -4.472 -1.352 -4.954 1.00 0.00 C ATOM 0 HA PRO A 72 -6.819 0.799 -4.615 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -7.229 -0.992 -6.756 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -5.990 0.246 -6.799 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.731 -2.669 -6.091 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.668 -1.674 -7.067 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.027 -2.245 -4.516 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.655 -0.669 -5.186 1.00 0.00 H new ATOM 438 N GLN A 73 -9.066 -0.473 -4.902 1.00 0.00 N ATOM 439 CA GLN A 73 -10.389 -1.004 -4.571 1.00 0.00 C ATOM 440 C GLN A 73 -10.497 -2.486 -4.927 1.00 0.00 C ATOM 441 O GLN A 73 -10.275 -2.881 -6.073 1.00 0.00 O ATOM 442 CB GLN A 73 -11.483 -0.208 -5.291 1.00 0.00 C ATOM 443 CG GLN A 73 -12.670 0.131 -4.399 1.00 0.00 C ATOM 444 CD GLN A 73 -14.007 -0.179 -5.042 1.00 0.00 C ATOM 445 OE1 GLN A 73 -14.301 0.276 -6.144 1.00 0.00 O ATOM 446 NE2 GLN A 73 -14.827 -0.958 -4.353 1.00 0.00 N ATOM 0 H GLN A 73 -9.078 0.269 -5.602 1.00 0.00 H new ATOM 0 HA GLN A 73 -10.527 -0.902 -3.495 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -11.054 0.716 -5.679 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -11.834 -0.781 -6.149 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -12.585 -0.425 -3.465 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -12.634 1.190 -4.144 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -14.544 -1.315 -3.440 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -15.741 -1.201 -4.735 1.00 0.00 H new ATOM 455 N SER A 74 -10.841 -3.290 -3.930 1.00 0.00 N ATOM 456 CA SER A 74 -10.986 -4.731 -4.099 1.00 0.00 C ATOM 457 C SER A 74 -12.324 -5.203 -3.516 1.00 0.00 C ATOM 458 O SER A 74 -13.356 -4.573 -3.750 1.00 0.00 O ATOM 459 CB SER A 74 -9.800 -5.440 -3.434 1.00 0.00 C ATOM 460 OG SER A 74 -9.905 -6.849 -3.565 1.00 0.00 O ATOM 0 H SER A 74 -11.027 -2.963 -2.982 1.00 0.00 H new ATOM 0 HA SER A 74 -10.987 -4.980 -5.160 1.00 0.00 H new ATOM 0 HB2 SER A 74 -8.869 -5.099 -3.886 1.00 0.00 H new ATOM 0 HB3 SER A 74 -9.759 -5.172 -2.378 1.00 0.00 H new ATOM 0 HG SER A 74 -9.607 -7.118 -4.459 1.00 0.00 H new ATOM 466 N ALA A 75 -12.305 -6.301 -2.764 1.00 0.00 N ATOM 467 CA ALA A 75 -13.515 -6.847 -2.148 1.00 0.00 C ATOM 468 C ALA A 75 -13.218 -8.153 -1.409 1.00 0.00 C ATOM 469 O ALA A 75 -12.180 -8.778 -1.635 1.00 0.00 O ATOM 470 CB ALA A 75 -14.588 -7.064 -3.208 1.00 0.00 C ATOM 0 H ALA A 75 -11.459 -6.835 -2.565 1.00 0.00 H new ATOM 0 HA ALA A 75 -13.881 -6.127 -1.416 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -15.485 -7.471 -2.740 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -14.827 -6.113 -3.684 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -14.221 -7.764 -3.959 1.00 0.00 H new ATOM 476 N PRO A 76 -14.123 -8.587 -0.509 1.00 0.00 N ATOM 477 CA PRO A 76 -13.944 -9.828 0.252 1.00 0.00 C ATOM 478 C PRO A 76 -13.768 -11.039 -0.658 1.00 0.00 C ATOM 479 O PRO A 76 -14.437 -11.159 -1.689 1.00 0.00 O ATOM 480 CB PRO A 76 -15.233 -9.957 1.068 1.00 0.00 C ATOM 481 CG PRO A 76 -16.200 -9.025 0.430 1.00 0.00 C ATOM 482 CD PRO A 76 -15.384 -7.915 -0.165 1.00 0.00 C ATOM 0 HA PRO A 76 -13.046 -9.794 0.869 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -15.606 -10.981 1.053 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -15.065 -9.694 2.112 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -16.782 -9.534 -0.338 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -16.908 -8.638 1.163 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -15.866 -7.485 -1.043 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -15.229 -7.102 0.544 1.00 0.00 H new ATOM 490 N GLY A 77 -12.861 -11.928 -0.273 1.00 0.00 N ATOM 491 CA GLY A 77 -12.597 -13.123 -1.068 1.00 0.00 C ATOM 492 C GLY A 77 -11.835 -12.818 -2.353 1.00 0.00 C ATOM 493 O GLY A 77 -12.010 -13.502 -3.364 1.00 0.00 O ATOM 0 H GLY A 77 -12.301 -11.847 0.575 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -12.025 -13.833 -0.471 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -13.542 -13.605 -1.317 1.00 0.00 H new ATOM 497 N ALA A 78 -10.985 -11.789 -2.307 1.00 0.00 N ATOM 498 CA ALA A 78 -10.185 -11.381 -3.458 1.00 0.00 C ATOM 499 C ALA A 78 -8.696 -11.339 -3.112 1.00 0.00 C ATOM 500 O ALA A 78 -8.259 -10.521 -2.295 1.00 0.00 O ATOM 501 CB ALA A 78 -10.647 -10.020 -3.959 1.00 0.00 C ATOM 0 H ALA A 78 -10.834 -11.220 -1.474 1.00 0.00 H new ATOM 0 HA ALA A 78 -10.326 -12.120 -4.247 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -10.044 -9.725 -4.818 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -11.695 -10.077 -4.254 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -10.533 -9.282 -3.165 1.00 0.00 H new ATOM 507 N LEU A 79 -7.918 -12.215 -3.744 1.00 0.00 N ATOM 508 CA LEU A 79 -6.478 -12.272 -3.509 1.00 0.00 C ATOM 509 C LEU A 79 -5.774 -11.095 -4.177 1.00 0.00 C ATOM 510 O LEU A 79 -5.284 -11.199 -5.303 1.00 0.00 O ATOM 511 CB LEU A 79 -5.907 -13.604 -4.017 1.00 0.00 C ATOM 512 CG LEU A 79 -4.609 -14.067 -3.345 1.00 0.00 C ATOM 513 CD1 LEU A 79 -3.491 -13.065 -3.580 1.00 0.00 C ATOM 514 CD2 LEU A 79 -4.822 -14.288 -1.855 1.00 0.00 C ATOM 0 H LEU A 79 -8.261 -12.895 -4.423 1.00 0.00 H new ATOM 0 HA LEU A 79 -6.301 -12.206 -2.435 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.662 -14.378 -3.880 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.729 -13.517 -5.089 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.317 -15.016 -3.795 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.580 -13.415 -3.094 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.314 -12.962 -4.651 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.775 -12.098 -3.164 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.888 -14.616 -1.399 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.145 -13.356 -1.391 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -5.586 -15.051 -1.706 1.00 0.00 H new ATOM 526 N VAL A 80 -5.729 -9.971 -3.468 1.00 0.00 N ATOM 527 CA VAL A 80 -5.084 -8.772 -3.980 1.00 0.00 C ATOM 528 C VAL A 80 -3.564 -8.875 -3.847 1.00 0.00 C ATOM 529 O VAL A 80 -2.979 -8.445 -2.850 1.00 0.00 O ATOM 530 CB VAL A 80 -5.591 -7.503 -3.262 1.00 0.00 C ATOM 531 CG1 VAL A 80 -4.781 -6.289 -3.677 1.00 0.00 C ATOM 532 CG2 VAL A 80 -7.064 -7.284 -3.555 1.00 0.00 C ATOM 0 H VAL A 80 -6.133 -9.868 -2.537 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.343 -8.691 -5.036 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.466 -7.644 -2.188 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -5.156 -5.407 -3.159 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.734 -6.444 -3.418 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.870 -6.143 -4.753 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.407 -6.386 -3.042 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -7.208 -7.166 -4.629 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -7.636 -8.143 -3.205 1.00 0.00 H new ATOM 542 N GLU A 81 -2.935 -9.456 -4.863 1.00 0.00 N ATOM 543 CA GLU A 81 -1.485 -9.628 -4.882 1.00 0.00 C ATOM 544 C GLU A 81 -0.789 -8.334 -5.311 1.00 0.00 C ATOM 545 O GLU A 81 -1.262 -7.631 -6.205 1.00 0.00 O ATOM 546 CB GLU A 81 -1.106 -10.774 -5.822 1.00 0.00 C ATOM 547 CG GLU A 81 -0.563 -12.000 -5.104 1.00 0.00 C ATOM 548 CD GLU A 81 -0.460 -13.210 -6.012 1.00 0.00 C ATOM 549 OE1 GLU A 81 -1.487 -13.890 -6.211 1.00 0.00 O ATOM 550 OE2 GLU A 81 0.650 -13.475 -6.524 1.00 0.00 O ATOM 0 H GLU A 81 -3.410 -9.818 -5.690 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.153 -9.873 -3.873 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.983 -11.062 -6.401 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.358 -10.418 -6.531 1.00 0.00 H new ATOM 0 HG2 GLU A 81 0.422 -11.771 -4.697 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -1.210 -12.238 -4.260 1.00 0.00 H new ATOM 557 N ARG A 82 0.331 -8.014 -4.663 1.00 0.00 N ATOM 558 CA ARG A 82 1.073 -6.793 -4.981 1.00 0.00 C ATOM 559 C ARG A 82 2.526 -6.881 -4.515 1.00 0.00 C ATOM 560 O ARG A 82 2.791 -6.994 -3.321 1.00 0.00 O ATOM 561 CB ARG A 82 0.391 -5.584 -4.329 1.00 0.00 C ATOM 562 CG ARG A 82 0.773 -4.252 -4.956 1.00 0.00 C ATOM 563 CD ARG A 82 1.892 -3.568 -4.186 1.00 0.00 C ATOM 564 NE ARG A 82 2.788 -2.817 -5.073 1.00 0.00 N ATOM 565 CZ ARG A 82 2.471 -1.670 -5.668 1.00 0.00 C ATOM 566 NH1 ARG A 82 1.285 -1.122 -5.473 1.00 0.00 N ATOM 567 NH2 ARG A 82 3.346 -1.073 -6.454 1.00 0.00 N ATOM 0 H ARG A 82 0.743 -8.578 -3.920 1.00 0.00 H new ATOM 0 HA ARG A 82 1.074 -6.675 -6.065 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -0.690 -5.709 -4.395 1.00 0.00 H new ATOM 0 HB3 ARG A 82 0.646 -5.563 -3.269 1.00 0.00 H new ATOM 0 HG2 ARG A 82 1.086 -4.412 -5.988 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -0.100 -3.600 -4.985 1.00 0.00 H new ATOM 0 HD2 ARG A 82 1.463 -2.892 -3.446 1.00 0.00 H new ATOM 0 HD3 ARG A 82 2.466 -4.316 -3.639 1.00 0.00 H new ATOM 0 HE ARG A 82 3.717 -3.201 -5.245 1.00 0.00 H new ATOM 0 HH11 ARG A 82 0.606 -1.578 -4.863 1.00 0.00 H new ATOM 0 HH12 ARG A 82 1.048 -0.242 -5.932 1.00 0.00 H new ATOM 0 HH21 ARG A 82 4.264 -1.491 -6.605 1.00 0.00 H new ATOM 0 HH22 ARG A 82 3.104 -0.194 -6.911 1.00 0.00 H new ATOM 581 N PRO A 83 3.496 -6.818 -5.448 1.00 0.00 N ATOM 582 CA PRO A 83 4.921 -6.886 -5.104 1.00 0.00 C ATOM 583 C PRO A 83 5.296 -5.876 -4.020 1.00 0.00 C ATOM 584 O PRO A 83 5.025 -4.678 -4.155 1.00 0.00 O ATOM 585 CB PRO A 83 5.637 -6.563 -6.427 1.00 0.00 C ATOM 586 CG PRO A 83 4.578 -6.030 -7.336 1.00 0.00 C ATOM 587 CD PRO A 83 3.292 -6.666 -6.894 1.00 0.00 C ATOM 0 HA PRO A 83 5.197 -7.858 -4.696 1.00 0.00 H new ATOM 0 HB2 PRO A 83 6.429 -5.830 -6.275 1.00 0.00 H new ATOM 0 HB3 PRO A 83 6.103 -7.454 -6.848 1.00 0.00 H new ATOM 0 HG2 PRO A 83 4.518 -4.944 -7.270 1.00 0.00 H new ATOM 0 HG3 PRO A 83 4.797 -6.275 -8.375 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.430 -6.038 -7.119 1.00 0.00 H new ATOM 0 HD3 PRO A 83 3.124 -7.625 -7.384 1.00 0.00 H new ATOM 595 N CYS A 84 5.913 -6.364 -2.940 1.00 0.00 N ATOM 596 CA CYS A 84 6.314 -5.490 -1.834 1.00 0.00 C ATOM 597 C CYS A 84 7.480 -4.587 -2.239 1.00 0.00 C ATOM 598 O CYS A 84 8.370 -4.997 -2.986 1.00 0.00 O ATOM 599 CB CYS A 84 6.688 -6.302 -0.586 1.00 0.00 C ATOM 600 SG CYS A 84 7.862 -7.660 -0.881 1.00 0.00 S ATOM 0 H CYS A 84 6.144 -7.349 -2.808 1.00 0.00 H new ATOM 0 HA CYS A 84 5.456 -4.863 -1.592 1.00 0.00 H new ATOM 0 HB2 CYS A 84 7.115 -5.626 0.155 1.00 0.00 H new ATOM 0 HB3 CYS A 84 5.777 -6.716 -0.153 1.00 0.00 H new ATOM 605 N PRO A 85 7.487 -3.331 -1.756 1.00 0.00 N ATOM 606 CA PRO A 85 8.542 -2.366 -2.080 1.00 0.00 C ATOM 607 C PRO A 85 9.840 -2.602 -1.298 1.00 0.00 C ATOM 608 O PRO A 85 10.118 -1.918 -0.312 1.00 0.00 O ATOM 609 CB PRO A 85 7.909 -1.028 -1.697 1.00 0.00 C ATOM 610 CG PRO A 85 6.975 -1.361 -0.586 1.00 0.00 C ATOM 611 CD PRO A 85 6.460 -2.748 -0.866 1.00 0.00 C ATOM 0 HA PRO A 85 8.848 -2.433 -3.124 1.00 0.00 H new ATOM 0 HB2 PRO A 85 8.664 -0.309 -1.379 1.00 0.00 H new ATOM 0 HB3 PRO A 85 7.380 -0.583 -2.540 1.00 0.00 H new ATOM 0 HG2 PRO A 85 7.486 -1.323 0.376 1.00 0.00 H new ATOM 0 HG3 PRO A 85 6.155 -0.644 -0.540 1.00 0.00 H new ATOM 0 HD2 PRO A 85 6.350 -3.327 0.051 1.00 0.00 H new ATOM 0 HD3 PRO A 85 5.482 -2.722 -1.346 1.00 0.00 H new ATOM 619 N GLU A 86 10.638 -3.565 -1.755 1.00 0.00 N ATOM 620 CA GLU A 86 11.919 -3.875 -1.107 1.00 0.00 C ATOM 621 C GLU A 86 13.050 -3.026 -1.697 1.00 0.00 C ATOM 622 O GLU A 86 14.100 -2.847 -1.072 1.00 0.00 O ATOM 623 CB GLU A 86 12.259 -5.359 -1.265 1.00 0.00 C ATOM 624 CG GLU A 86 11.067 -6.293 -1.115 1.00 0.00 C ATOM 625 CD GLU A 86 11.078 -7.417 -2.130 1.00 0.00 C ATOM 626 OE1 GLU A 86 11.307 -7.133 -3.328 1.00 0.00 O ATOM 627 OE2 GLU A 86 10.878 -8.581 -1.735 1.00 0.00 O ATOM 0 H GLU A 86 10.425 -4.144 -2.567 1.00 0.00 H new ATOM 0 HA GLU A 86 11.819 -3.642 -0.047 1.00 0.00 H new ATOM 0 HB2 GLU A 86 12.707 -5.515 -2.246 1.00 0.00 H new ATOM 0 HB3 GLU A 86 13.012 -5.628 -0.525 1.00 0.00 H new ATOM 0 HG2 GLU A 86 11.065 -6.715 -0.110 1.00 0.00 H new ATOM 0 HG3 GLU A 86 10.146 -5.721 -1.222 1.00 0.00 H new ATOM 634 N TYR A 87 12.828 -2.504 -2.907 1.00 0.00 N ATOM 635 CA TYR A 87 13.818 -1.673 -3.591 1.00 0.00 C ATOM 636 C TYR A 87 13.880 -0.269 -2.977 1.00 0.00 C ATOM 637 O TYR A 87 13.545 0.723 -3.628 1.00 0.00 O ATOM 638 CB TYR A 87 13.488 -1.574 -5.086 1.00 0.00 C ATOM 639 CG TYR A 87 13.583 -2.885 -5.839 1.00 0.00 C ATOM 640 CD1 TYR A 87 12.540 -3.802 -5.816 1.00 0.00 C ATOM 641 CD2 TYR A 87 14.713 -3.198 -6.585 1.00 0.00 C ATOM 642 CE1 TYR A 87 12.621 -4.993 -6.511 1.00 0.00 C ATOM 643 CE2 TYR A 87 14.799 -4.388 -7.284 1.00 0.00 C ATOM 644 CZ TYR A 87 13.753 -5.281 -7.244 1.00 0.00 C ATOM 645 OH TYR A 87 13.840 -6.467 -7.936 1.00 0.00 O ATOM 0 H TYR A 87 11.966 -2.645 -3.434 1.00 0.00 H new ATOM 0 HA TYR A 87 14.793 -2.144 -3.469 1.00 0.00 H new ATOM 0 HB2 TYR A 87 12.478 -1.178 -5.197 1.00 0.00 H new ATOM 0 HB3 TYR A 87 14.165 -0.855 -5.548 1.00 0.00 H new ATOM 0 HD1 TYR A 87 11.651 -3.580 -5.245 1.00 0.00 H new ATOM 0 HD2 TYR A 87 15.537 -2.501 -6.619 1.00 0.00 H new ATOM 0 HE1 TYR A 87 11.801 -5.696 -6.480 1.00 0.00 H new ATOM 0 HE2 TYR A 87 15.684 -4.616 -7.859 1.00 0.00 H new ATOM 0 HH TYR A 87 14.702 -6.512 -8.400 1.00 0.00 H new ATOM 655 N PHE A 88 14.321 -0.188 -1.724 1.00 0.00 N ATOM 656 CA PHE A 88 14.436 1.097 -1.031 1.00 0.00 C ATOM 657 C PHE A 88 15.874 1.638 -1.106 1.00 0.00 C ATOM 658 O PHE A 88 16.338 2.324 -0.192 1.00 0.00 O ATOM 659 CB PHE A 88 14.002 0.941 0.431 1.00 0.00 C ATOM 660 CG PHE A 88 12.534 1.178 0.671 1.00 0.00 C ATOM 661 CD1 PHE A 88 11.941 2.373 0.294 1.00 0.00 C ATOM 662 CD2 PHE A 88 11.750 0.210 1.283 1.00 0.00 C ATOM 663 CE1 PHE A 88 10.596 2.597 0.521 1.00 0.00 C ATOM 664 CE2 PHE A 88 10.405 0.429 1.509 1.00 0.00 C ATOM 665 CZ PHE A 88 9.827 1.622 1.129 1.00 0.00 C ATOM 0 H PHE A 88 14.605 -0.994 -1.167 1.00 0.00 H new ATOM 0 HA PHE A 88 13.781 1.815 -1.525 1.00 0.00 H new ATOM 0 HB2 PHE A 88 14.255 -0.064 0.768 1.00 0.00 H new ATOM 0 HB3 PHE A 88 14.575 1.636 1.044 1.00 0.00 H new ATOM 0 HD1 PHE A 88 12.537 3.138 -0.182 1.00 0.00 H new ATOM 0 HD2 PHE A 88 12.197 -0.725 1.586 1.00 0.00 H new ATOM 0 HE1 PHE A 88 10.146 3.533 0.224 1.00 0.00 H new ATOM 0 HE2 PHE A 88 9.806 -0.334 1.983 1.00 0.00 H new ATOM 0 HZ PHE A 88 8.776 1.794 1.306 1.00 0.00 H new ATOM 675 N ASN A 89 16.569 1.320 -2.205 1.00 0.00 N ATOM 676 CA ASN A 89 17.951 1.759 -2.420 1.00 0.00 C ATOM 677 C ASN A 89 18.528 1.135 -3.693 1.00 0.00 C ATOM 678 O ASN A 89 18.909 1.840 -4.627 1.00 0.00 O ATOM 679 CB ASN A 89 18.825 1.383 -1.215 1.00 0.00 C ATOM 680 CG ASN A 89 19.503 2.587 -0.596 1.00 0.00 C ATOM 681 OD1 ASN A 89 20.698 2.803 -0.777 1.00 0.00 O ATOM 682 ND2 ASN A 89 18.738 3.381 0.134 1.00 0.00 N ATOM 0 H ASN A 89 16.191 0.755 -2.965 1.00 0.00 H new ATOM 0 HA ASN A 89 17.947 2.843 -2.534 1.00 0.00 H new ATOM 0 HB2 ASN A 89 18.209 0.889 -0.463 1.00 0.00 H new ATOM 0 HB3 ASN A 89 19.582 0.664 -1.529 1.00 0.00 H new ATOM 0 HD21 ASN A 89 19.137 4.211 0.573 1.00 0.00 H new ATOM 0 HD22 ASN A 89 17.749 3.164 0.258 1.00 0.00 H new ATOM 689 N GLY A 90 18.588 -0.198 -3.711 1.00 0.00 N ATOM 690 CA GLY A 90 19.120 -0.924 -4.858 1.00 0.00 C ATOM 691 C GLY A 90 19.861 -2.181 -4.444 1.00 0.00 C ATOM 692 O GLY A 90 21.068 -2.289 -4.645 1.00 0.00 O ATOM 0 H GLY A 90 18.274 -0.793 -2.944 1.00 0.00 H new ATOM 0 HA2 GLY A 90 18.303 -1.190 -5.529 1.00 0.00 H new ATOM 0 HA3 GLY A 90 19.793 -0.274 -5.417 1.00 0.00 H new ATOM 696 N ILE A 91 19.138 -3.122 -3.844 1.00 0.00 N ATOM 697 CA ILE A 91 19.740 -4.375 -3.375 1.00 0.00 C ATOM 698 C ILE A 91 19.436 -5.545 -4.308 1.00 0.00 C ATOM 699 O ILE A 91 20.282 -6.412 -4.533 1.00 0.00 O ATOM 700 CB ILE A 91 19.267 -4.747 -1.944 1.00 0.00 C ATOM 701 CG1 ILE A 91 18.557 -3.570 -1.257 1.00 0.00 C ATOM 702 CG2 ILE A 91 20.443 -5.218 -1.099 1.00 0.00 C ATOM 703 CD1 ILE A 91 19.466 -2.394 -0.965 1.00 0.00 C ATOM 0 H ILE A 91 18.136 -3.045 -3.669 1.00 0.00 H new ATOM 0 HA ILE A 91 20.815 -4.196 -3.365 1.00 0.00 H new ATOM 0 HB ILE A 91 18.548 -5.561 -2.038 1.00 0.00 H new ATOM 0 HG12 ILE A 91 17.736 -3.234 -1.890 1.00 0.00 H new ATOM 0 HG13 ILE A 91 18.117 -3.918 -0.322 1.00 0.00 H new ATOM 0 HG21 ILE A 91 20.093 -5.475 -0.099 1.00 0.00 H new ATOM 0 HG22 ILE A 91 20.895 -6.095 -1.561 1.00 0.00 H new ATOM 0 HG23 ILE A 91 21.184 -4.422 -1.031 1.00 0.00 H new ATOM 0 HD11 ILE A 91 18.894 -1.603 -0.480 1.00 0.00 H new ATOM 0 HD12 ILE A 91 20.274 -2.713 -0.306 1.00 0.00 H new ATOM 0 HD13 ILE A 91 19.886 -2.018 -1.898 1.00 0.00 H new ATOM 715 N LYS A 92 18.221 -5.568 -4.834 1.00 0.00 N ATOM 716 CA LYS A 92 17.786 -6.635 -5.732 1.00 0.00 C ATOM 717 C LYS A 92 17.777 -6.191 -7.196 1.00 0.00 C ATOM 718 O LYS A 92 17.725 -4.998 -7.498 1.00 0.00 O ATOM 719 CB LYS A 92 16.389 -7.111 -5.332 1.00 0.00 C ATOM 720 CG LYS A 92 16.006 -8.454 -5.934 1.00 0.00 C ATOM 721 CD LYS A 92 14.517 -8.738 -5.798 1.00 0.00 C ATOM 722 CE LYS A 92 14.028 -8.529 -4.374 1.00 0.00 C ATOM 723 NZ LYS A 92 13.620 -7.116 -4.128 1.00 0.00 N ATOM 0 H LYS A 92 17.512 -4.857 -4.655 1.00 0.00 H new ATOM 0 HA LYS A 92 18.502 -7.452 -5.639 1.00 0.00 H new ATOM 0 HB2 LYS A 92 16.336 -7.181 -4.246 1.00 0.00 H new ATOM 0 HB3 LYS A 92 15.658 -6.363 -5.639 1.00 0.00 H new ATOM 0 HG2 LYS A 92 16.283 -8.471 -6.988 1.00 0.00 H new ATOM 0 HG3 LYS A 92 16.572 -9.246 -5.443 1.00 0.00 H new ATOM 0 HD2 LYS A 92 13.960 -8.087 -6.472 1.00 0.00 H new ATOM 0 HD3 LYS A 92 14.314 -9.764 -6.105 1.00 0.00 H new ATOM 0 HE2 LYS A 92 13.183 -9.190 -4.180 1.00 0.00 H new ATOM 0 HE3 LYS A 92 14.817 -8.806 -3.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 14.245 -6.694 -3.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 13.693 -6.575 -5.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 12.638 -7.093 -3.788 1.00 0.00 H new ATOM 737 N TYR A 93 17.820 -7.171 -8.096 1.00 0.00 N ATOM 738 CA TYR A 93 17.808 -6.909 -9.537 1.00 0.00 C ATOM 739 C TYR A 93 17.048 -8.019 -10.284 1.00 0.00 C ATOM 740 O TYR A 93 17.382 -8.360 -11.420 1.00 0.00 O ATOM 741 CB TYR A 93 19.246 -6.778 -10.079 1.00 0.00 C ATOM 742 CG TYR A 93 20.326 -7.266 -9.131 1.00 0.00 C ATOM 743 CD1 TYR A 93 20.669 -6.535 -7.999 1.00 0.00 C ATOM 744 CD2 TYR A 93 21.002 -8.456 -9.372 1.00 0.00 C ATOM 745 CE1 TYR A 93 21.652 -6.977 -7.134 1.00 0.00 C ATOM 746 CE2 TYR A 93 21.987 -8.902 -8.511 1.00 0.00 C ATOM 747 CZ TYR A 93 22.307 -8.160 -7.395 1.00 0.00 C ATOM 748 OH TYR A 93 23.286 -8.603 -6.540 1.00 0.00 O ATOM 0 H TYR A 93 17.864 -8.161 -7.852 1.00 0.00 H new ATOM 0 HA TYR A 93 17.291 -5.965 -9.707 1.00 0.00 H new ATOM 0 HB2 TYR A 93 19.321 -7.336 -11.012 1.00 0.00 H new ATOM 0 HB3 TYR A 93 19.436 -5.732 -10.318 1.00 0.00 H new ATOM 0 HD1 TYR A 93 20.159 -5.606 -7.792 1.00 0.00 H new ATOM 0 HD2 TYR A 93 20.754 -9.041 -10.245 1.00 0.00 H new ATOM 0 HE1 TYR A 93 21.905 -6.398 -6.258 1.00 0.00 H new ATOM 0 HE2 TYR A 93 22.504 -9.829 -8.712 1.00 0.00 H new ATOM 0 HH TYR A 93 23.647 -9.453 -6.868 1.00 0.00 H new ATOM 758 N ASN A 94 16.018 -8.573 -9.625 1.00 0.00 N ATOM 759 CA ASN A 94 15.193 -9.644 -10.200 1.00 0.00 C ATOM 760 C ASN A 94 14.148 -10.142 -9.188 1.00 0.00 C ATOM 761 O ASN A 94 14.285 -11.230 -8.620 1.00 0.00 O ATOM 762 CB ASN A 94 16.078 -10.813 -10.652 1.00 0.00 C ATOM 763 CG ASN A 94 15.338 -11.789 -11.546 1.00 0.00 C ATOM 764 OD1 ASN A 94 15.492 -11.771 -12.764 1.00 0.00 O ATOM 765 ND2 ASN A 94 14.528 -12.649 -10.946 1.00 0.00 N ATOM 0 H ASN A 94 15.736 -8.293 -8.686 1.00 0.00 H new ATOM 0 HA ASN A 94 14.668 -9.236 -11.064 1.00 0.00 H new ATOM 0 HB2 ASN A 94 16.945 -10.423 -11.185 1.00 0.00 H new ATOM 0 HB3 ASN A 94 16.453 -11.341 -9.775 1.00 0.00 H new ATOM 0 HD21 ASN A 94 14.005 -13.328 -11.499 1.00 0.00 H new ATOM 0 HD22 ASN A 94 14.427 -12.632 -9.931 1.00 0.00 H new ATOM 772 N THR A 95 13.105 -9.345 -8.965 1.00 0.00 N ATOM 773 CA THR A 95 12.038 -9.711 -8.023 1.00 0.00 C ATOM 774 C THR A 95 11.113 -10.769 -8.628 1.00 0.00 C ATOM 775 O THR A 95 10.298 -10.465 -9.501 1.00 0.00 O ATOM 776 CB THR A 95 11.218 -8.479 -7.614 1.00 0.00 C ATOM 777 OG1 THR A 95 11.683 -7.308 -8.268 1.00 0.00 O ATOM 778 CG2 THR A 95 11.258 -8.205 -6.130 1.00 0.00 C ATOM 0 H THR A 95 12.972 -8.442 -9.421 1.00 0.00 H new ATOM 0 HA THR A 95 12.514 -10.126 -7.135 1.00 0.00 H new ATOM 0 HB THR A 95 10.195 -8.714 -7.909 1.00 0.00 H new ATOM 0 HG1 THR A 95 12.583 -7.089 -7.947 1.00 0.00 H new ATOM 0 HG21 THR A 95 10.659 -7.322 -5.907 1.00 0.00 H new ATOM 0 HG22 THR A 95 10.855 -9.062 -5.591 1.00 0.00 H new ATOM 0 HG23 THR A 95 12.288 -8.032 -5.820 1.00 0.00 H new ATOM 786 N THR A 96 11.251 -12.014 -8.165 1.00 0.00 N ATOM 787 CA THR A 96 10.432 -13.124 -8.671 1.00 0.00 C ATOM 788 C THR A 96 9.359 -13.582 -7.669 1.00 0.00 C ATOM 789 O THR A 96 8.734 -14.626 -7.870 1.00 0.00 O ATOM 790 CB THR A 96 11.328 -14.314 -9.037 1.00 0.00 C ATOM 791 OG1 THR A 96 10.590 -15.309 -9.723 1.00 0.00 O ATOM 792 CG2 THR A 96 11.971 -14.979 -7.839 1.00 0.00 C ATOM 0 H THR A 96 11.920 -12.281 -7.442 1.00 0.00 H new ATOM 0 HA THR A 96 9.914 -12.753 -9.555 1.00 0.00 H new ATOM 0 HB THR A 96 12.112 -13.892 -9.666 1.00 0.00 H new ATOM 0 HG1 THR A 96 9.701 -15.393 -9.320 1.00 0.00 H new ATOM 0 HG21 THR A 96 12.590 -15.812 -8.174 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.591 -14.255 -7.311 1.00 0.00 H new ATOM 0 HG23 THR A 96 11.195 -15.350 -7.169 1.00 0.00 H new ATOM 800 N ARG A 97 9.147 -12.815 -6.599 1.00 0.00 N ATOM 801 CA ARG A 97 8.149 -13.166 -5.588 1.00 0.00 C ATOM 802 C ARG A 97 7.081 -12.067 -5.465 1.00 0.00 C ATOM 803 O ARG A 97 7.344 -10.898 -5.754 1.00 0.00 O ATOM 804 CB ARG A 97 8.830 -13.425 -4.233 1.00 0.00 C ATOM 805 CG ARG A 97 10.290 -13.860 -4.351 1.00 0.00 C ATOM 806 CD ARG A 97 10.728 -14.748 -3.191 1.00 0.00 C ATOM 807 NE ARG A 97 10.104 -16.074 -3.240 1.00 0.00 N ATOM 808 CZ ARG A 97 10.649 -17.187 -2.749 1.00 0.00 C ATOM 809 NH1 ARG A 97 11.868 -17.189 -2.241 1.00 0.00 N ATOM 810 NH2 ARG A 97 9.972 -18.314 -2.793 1.00 0.00 N ATOM 0 H ARG A 97 9.652 -11.949 -6.410 1.00 0.00 H new ATOM 0 HA ARG A 97 7.648 -14.082 -5.902 1.00 0.00 H new ATOM 0 HB2 ARG A 97 8.778 -12.518 -3.631 1.00 0.00 H new ATOM 0 HB3 ARG A 97 8.273 -14.194 -3.698 1.00 0.00 H new ATOM 0 HG2 ARG A 97 10.432 -14.396 -5.289 1.00 0.00 H new ATOM 0 HG3 ARG A 97 10.927 -12.977 -4.390 1.00 0.00 H new ATOM 0 HD2 ARG A 97 11.812 -14.858 -3.210 1.00 0.00 H new ATOM 0 HD3 ARG A 97 10.473 -14.263 -2.249 1.00 0.00 H new ATOM 0 HE ARG A 97 9.188 -16.150 -3.681 1.00 0.00 H new ATOM 0 HH11 ARG A 97 12.413 -16.327 -2.219 1.00 0.00 H new ATOM 0 HH12 ARG A 97 12.265 -18.053 -1.871 1.00 0.00 H new ATOM 0 HH21 ARG A 97 9.037 -18.332 -3.201 1.00 0.00 H new ATOM 0 HH22 ARG A 97 10.382 -19.170 -2.419 1.00 0.00 H new ATOM 824 N ASN A 98 5.873 -12.454 -5.057 1.00 0.00 N ATOM 825 CA ASN A 98 4.764 -11.505 -4.922 1.00 0.00 C ATOM 826 C ASN A 98 4.194 -11.469 -3.511 1.00 0.00 C ATOM 827 O ASN A 98 4.306 -12.427 -2.748 1.00 0.00 O ATOM 828 CB ASN A 98 3.656 -11.859 -5.905 1.00 0.00 C ATOM 829 CG ASN A 98 2.843 -10.661 -6.345 1.00 0.00 C ATOM 830 OD1 ASN A 98 3.140 -9.524 -5.986 1.00 0.00 O ATOM 831 ND2 ASN A 98 1.801 -10.912 -7.119 1.00 0.00 N ATOM 0 H ASN A 98 5.636 -13.416 -4.814 1.00 0.00 H new ATOM 0 HA ASN A 98 5.164 -10.515 -5.141 1.00 0.00 H new ATOM 0 HB2 ASN A 98 4.096 -12.333 -6.782 1.00 0.00 H new ATOM 0 HB3 ASN A 98 2.992 -12.591 -5.446 1.00 0.00 H new ATOM 0 HD21 ASN A 98 1.209 -10.147 -7.441 1.00 0.00 H new ATOM 0 HD22 ASN A 98 1.589 -11.871 -7.394 1.00 0.00 H new ATOM 838 N ALA A 99 3.554 -10.354 -3.194 1.00 0.00 N ATOM 839 CA ALA A 99 2.925 -10.157 -1.890 1.00 0.00 C ATOM 840 C ALA A 99 1.416 -10.379 -1.983 1.00 0.00 C ATOM 841 O ALA A 99 0.720 -9.689 -2.731 1.00 0.00 O ATOM 842 CB ALA A 99 3.239 -8.766 -1.352 1.00 0.00 C ATOM 0 H ALA A 99 3.454 -9.561 -3.828 1.00 0.00 H new ATOM 0 HA ALA A 99 3.332 -10.890 -1.194 1.00 0.00 H new ATOM 0 HB1 ALA A 99 2.763 -8.636 -0.380 1.00 0.00 H new ATOM 0 HB2 ALA A 99 4.318 -8.652 -1.246 1.00 0.00 H new ATOM 0 HB3 ALA A 99 2.861 -8.014 -2.045 1.00 0.00 H new ATOM 848 N TYR A 100 0.924 -11.362 -1.236 1.00 0.00 N ATOM 849 CA TYR A 100 -0.495 -11.703 -1.245 1.00 0.00 C ATOM 850 C TYR A 100 -1.253 -10.994 -0.126 1.00 0.00 C ATOM 851 O TYR A 100 -0.865 -11.065 1.045 1.00 0.00 O ATOM 852 CB TYR A 100 -0.676 -13.223 -1.108 1.00 0.00 C ATOM 853 CG TYR A 100 -0.059 -14.035 -2.230 1.00 0.00 C ATOM 854 CD1 TYR A 100 1.277 -13.877 -2.590 1.00 0.00 C ATOM 855 CD2 TYR A 100 -0.816 -14.964 -2.930 1.00 0.00 C ATOM 856 CE1 TYR A 100 1.833 -14.619 -3.612 1.00 0.00 C ATOM 857 CE2 TYR A 100 -0.264 -15.708 -3.955 1.00 0.00 C ATOM 858 CZ TYR A 100 1.058 -15.530 -4.291 1.00 0.00 C ATOM 859 OH TYR A 100 1.608 -16.259 -5.314 1.00 0.00 O ATOM 0 H TYR A 100 1.490 -11.939 -0.614 1.00 0.00 H new ATOM 0 HA TYR A 100 -0.906 -11.369 -2.197 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -0.240 -13.544 -0.162 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -1.742 -13.446 -1.059 1.00 0.00 H new ATOM 0 HD1 TYR A 100 1.888 -13.161 -2.060 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -1.854 -15.108 -2.669 1.00 0.00 H new ATOM 0 HE1 TYR A 100 2.871 -14.485 -3.877 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -0.868 -16.426 -4.490 1.00 0.00 H new ATOM 0 HH TYR A 100 0.930 -16.858 -5.690 1.00 0.00 H new ATOM 869 N ARG A 101 -2.344 -10.323 -0.485 1.00 0.00 N ATOM 870 CA ARG A 101 -3.165 -9.623 0.495 1.00 0.00 C ATOM 871 C ARG A 101 -4.652 -9.778 0.180 1.00 0.00 C ATOM 872 O ARG A 101 -5.229 -8.980 -0.556 1.00 0.00 O ATOM 873 CB ARG A 101 -2.796 -8.141 0.559 1.00 0.00 C ATOM 874 CG ARG A 101 -3.401 -7.435 1.760 1.00 0.00 C ATOM 875 CD ARG A 101 -2.794 -6.061 1.969 1.00 0.00 C ATOM 876 NE ARG A 101 -3.578 -5.251 2.907 1.00 0.00 N ATOM 877 CZ ARG A 101 -3.773 -5.558 4.186 1.00 0.00 C ATOM 878 NH1 ARG A 101 -3.209 -6.618 4.724 1.00 0.00 N ATOM 879 NH2 ARG A 101 -4.525 -4.786 4.938 1.00 0.00 N ATOM 0 H ARG A 101 -2.679 -10.250 -1.446 1.00 0.00 H new ATOM 0 HA ARG A 101 -2.969 -10.074 1.468 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -1.711 -8.043 0.594 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -3.131 -7.648 -0.353 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -4.478 -7.340 1.621 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -3.247 -8.040 2.653 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -1.776 -6.168 2.345 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -2.728 -5.544 1.011 1.00 0.00 H new ATOM 0 HE ARG A 101 -4.003 -4.393 2.554 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -2.611 -7.220 4.158 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -3.370 -6.838 5.707 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -4.958 -3.953 4.540 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -4.675 -5.020 5.919 1.00 0.00 H new ATOM 893 N GLU A 102 -5.262 -10.813 0.744 1.00 0.00 N ATOM 894 CA GLU A 102 -6.680 -11.078 0.529 1.00 0.00 C ATOM 895 C GLU A 102 -7.546 -10.157 1.394 1.00 0.00 C ATOM 896 O GLU A 102 -7.079 -9.605 2.398 1.00 0.00 O ATOM 897 CB GLU A 102 -6.995 -12.547 0.833 1.00 0.00 C ATOM 898 CG GLU A 102 -7.724 -13.259 -0.297 1.00 0.00 C ATOM 899 CD GLU A 102 -9.224 -13.281 -0.105 1.00 0.00 C ATOM 900 OE1 GLU A 102 -9.820 -12.195 0.023 1.00 0.00 O ATOM 901 OE2 GLU A 102 -9.802 -14.384 -0.089 1.00 0.00 O ATOM 0 H GLU A 102 -4.796 -11.484 1.355 1.00 0.00 H new ATOM 0 HA GLU A 102 -6.911 -10.876 -0.517 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -6.064 -13.074 1.043 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -7.602 -12.600 1.737 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -7.490 -12.767 -1.241 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -7.357 -14.283 -0.372 1.00 0.00 H new ATOM 908 N CYS A 103 -8.808 -10.002 1.006 1.00 0.00 N ATOM 909 CA CYS A 103 -9.748 -9.158 1.745 1.00 0.00 C ATOM 910 C CYS A 103 -10.722 -10.009 2.558 1.00 0.00 C ATOM 911 O CYS A 103 -11.333 -10.943 2.038 1.00 0.00 O ATOM 912 CB CYS A 103 -10.515 -8.240 0.791 1.00 0.00 C ATOM 913 SG CYS A 103 -10.527 -6.493 1.306 1.00 0.00 S ATOM 0 H CYS A 103 -9.207 -10.451 0.181 1.00 0.00 H new ATOM 0 HA CYS A 103 -9.173 -8.540 2.435 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -10.074 -8.313 -0.203 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -11.543 -8.593 0.710 1.00 0.00 H new ATOM 918 N LEU A 104 -10.858 -9.681 3.841 1.00 0.00 N ATOM 919 CA LEU A 104 -11.745 -10.420 4.737 1.00 0.00 C ATOM 920 C LEU A 104 -13.175 -10.498 4.189 1.00 0.00 C ATOM 921 O LEU A 104 -13.746 -9.505 3.731 1.00 0.00 O ATOM 922 CB LEU A 104 -11.732 -9.810 6.140 1.00 0.00 C ATOM 923 CG LEU A 104 -10.341 -9.499 6.708 1.00 0.00 C ATOM 924 CD1 LEU A 104 -10.449 -8.922 8.109 1.00 0.00 C ATOM 925 CD2 LEU A 104 -9.476 -10.749 6.713 1.00 0.00 C ATOM 0 H LEU A 104 -10.364 -8.906 4.284 1.00 0.00 H new ATOM 0 HA LEU A 104 -11.366 -11.440 4.801 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -12.313 -8.888 6.123 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -12.239 -10.494 6.820 1.00 0.00 H new ATOM 0 HG LEU A 104 -9.869 -8.754 6.067 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -9.451 -8.709 8.493 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -11.031 -8.001 8.079 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -10.943 -9.642 8.762 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -8.493 -10.510 7.119 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -9.947 -11.515 7.330 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -9.367 -11.120 5.694 1.00 0.00 H new ATOM 937 N GLU A 105 -13.715 -11.709 4.239 1.00 0.00 N ATOM 938 CA GLU A 105 -15.063 -12.035 3.748 1.00 0.00 C ATOM 939 C GLU A 105 -16.120 -11.003 4.153 1.00 0.00 C ATOM 940 O GLU A 105 -16.967 -10.627 3.342 1.00 0.00 O ATOM 941 CB GLU A 105 -15.475 -13.419 4.257 1.00 0.00 C ATOM 942 CG GLU A 105 -15.949 -14.361 3.160 1.00 0.00 C ATOM 943 CD GLU A 105 -15.770 -15.821 3.526 1.00 0.00 C ATOM 944 OE1 GLU A 105 -16.557 -16.325 4.354 1.00 0.00 O ATOM 945 OE2 GLU A 105 -14.843 -16.458 2.984 1.00 0.00 O ATOM 0 H GLU A 105 -13.224 -12.514 4.629 1.00 0.00 H new ATOM 0 HA GLU A 105 -15.013 -12.025 2.659 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -14.629 -13.873 4.772 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -16.271 -13.303 4.993 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -17.002 -14.169 2.952 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -15.399 -14.150 2.243 1.00 0.00 H new ATOM 952 N ASN A 106 -16.080 -10.551 5.405 1.00 0.00 N ATOM 953 CA ASN A 106 -17.051 -9.566 5.894 1.00 0.00 C ATOM 954 C ASN A 106 -16.898 -8.205 5.194 1.00 0.00 C ATOM 955 O ASN A 106 -17.735 -7.317 5.373 1.00 0.00 O ATOM 956 CB ASN A 106 -16.921 -9.389 7.409 1.00 0.00 C ATOM 957 CG ASN A 106 -16.984 -10.704 8.164 1.00 0.00 C ATOM 958 OD1 ASN A 106 -15.962 -11.342 8.402 1.00 0.00 O ATOM 959 ND2 ASN A 106 -18.183 -11.116 8.546 1.00 0.00 N ATOM 0 H ASN A 106 -15.392 -10.847 6.097 1.00 0.00 H new ATOM 0 HA ASN A 106 -18.043 -9.952 5.658 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -15.977 -8.892 7.632 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -17.717 -8.734 7.763 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -18.282 -11.993 9.058 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -19.008 -10.557 8.329 1.00 0.00 H new ATOM 966 N GLY A 107 -15.836 -8.040 4.401 1.00 0.00 N ATOM 967 CA GLY A 107 -15.615 -6.784 3.701 1.00 0.00 C ATOM 968 C GLY A 107 -14.618 -5.889 4.408 1.00 0.00 C ATOM 969 O GLY A 107 -14.853 -4.692 4.567 1.00 0.00 O ATOM 0 H GLY A 107 -15.127 -8.754 4.232 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -15.258 -6.993 2.692 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -16.564 -6.257 3.601 1.00 0.00 H new ATOM 973 N THR A 108 -13.499 -6.468 4.832 1.00 0.00 N ATOM 974 CA THR A 108 -12.462 -5.705 5.528 1.00 0.00 C ATOM 975 C THR A 108 -11.069 -6.162 5.107 1.00 0.00 C ATOM 976 O THR A 108 -10.858 -7.329 4.791 1.00 0.00 O ATOM 977 CB THR A 108 -12.614 -5.844 7.049 1.00 0.00 C ATOM 978 OG1 THR A 108 -12.822 -7.196 7.419 1.00 0.00 O ATOM 979 CG2 THR A 108 -13.760 -5.035 7.615 1.00 0.00 C ATOM 0 H THR A 108 -13.285 -7.458 4.708 1.00 0.00 H new ATOM 0 HA THR A 108 -12.583 -4.657 5.253 1.00 0.00 H new ATOM 0 HB THR A 108 -11.680 -5.463 7.462 1.00 0.00 H new ATOM 0 HG1 THR A 108 -12.882 -7.263 8.395 1.00 0.00 H new ATOM 0 HG21 THR A 108 -13.809 -5.180 8.694 1.00 0.00 H new ATOM 0 HG22 THR A 108 -13.602 -3.979 7.397 1.00 0.00 H new ATOM 0 HG23 THR A 108 -14.696 -5.363 7.162 1.00 0.00 H new ATOM 987 N TRP A 109 -10.113 -5.241 5.111 1.00 0.00 N ATOM 988 CA TRP A 109 -8.744 -5.583 4.739 1.00 0.00 C ATOM 989 C TRP A 109 -8.104 -6.438 5.834 1.00 0.00 C ATOM 990 O TRP A 109 -8.482 -6.353 7.005 1.00 0.00 O ATOM 991 CB TRP A 109 -7.914 -4.321 4.499 1.00 0.00 C ATOM 992 CG TRP A 109 -8.076 -3.746 3.121 1.00 0.00 C ATOM 993 CD1 TRP A 109 -8.879 -2.703 2.756 1.00 0.00 C ATOM 994 CD2 TRP A 109 -7.417 -4.182 1.924 1.00 0.00 C ATOM 995 NE1 TRP A 109 -8.755 -2.460 1.406 1.00 0.00 N ATOM 996 CE2 TRP A 109 -7.864 -3.353 0.876 1.00 0.00 C ATOM 997 CE3 TRP A 109 -6.489 -5.190 1.635 1.00 0.00 C ATOM 998 CZ2 TRP A 109 -7.417 -3.502 -0.433 1.00 0.00 C ATOM 999 CZ3 TRP A 109 -6.047 -5.335 0.332 1.00 0.00 C ATOM 1000 CH2 TRP A 109 -6.510 -4.495 -0.687 1.00 0.00 C ATOM 0 H TRP A 109 -10.256 -4.263 5.364 1.00 0.00 H new ATOM 0 HA TRP A 109 -8.770 -6.154 3.811 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -8.195 -3.566 5.234 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -6.862 -4.551 4.666 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -9.518 -2.150 3.428 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -9.247 -1.733 0.886 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -6.125 -5.842 2.415 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -7.774 -2.856 -1.222 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -5.332 -6.110 0.097 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -6.144 -4.633 -1.694 1.00 0.00 H new ATOM 1011 N ALA A 110 -7.142 -7.268 5.450 1.00 0.00 N ATOM 1012 CA ALA A 110 -6.464 -8.139 6.407 1.00 0.00 C ATOM 1013 C ALA A 110 -5.467 -7.357 7.267 1.00 0.00 C ATOM 1014 O ALA A 110 -4.834 -6.407 6.799 1.00 0.00 O ATOM 1015 CB ALA A 110 -5.781 -9.286 5.678 1.00 0.00 C ATOM 0 H ALA A 110 -6.814 -7.358 4.488 1.00 0.00 H new ATOM 0 HA ALA A 110 -7.213 -8.554 7.081 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -5.279 -9.929 6.401 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -6.526 -9.866 5.133 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -5.048 -8.887 4.977 1.00 0.00 H new ATOM 1021 N SER A 111 -5.338 -7.757 8.532 1.00 0.00 N ATOM 1022 CA SER A 111 -4.426 -7.090 9.469 1.00 0.00 C ATOM 1023 C SER A 111 -3.020 -6.935 8.885 1.00 0.00 C ATOM 1024 O SER A 111 -2.484 -5.830 8.829 1.00 0.00 O ATOM 1025 CB SER A 111 -4.357 -7.861 10.792 1.00 0.00 C ATOM 1026 OG SER A 111 -5.244 -7.310 11.752 1.00 0.00 O ATOM 0 H SER A 111 -5.853 -8.540 8.934 1.00 0.00 H new ATOM 0 HA SER A 111 -4.825 -6.092 9.652 1.00 0.00 H new ATOM 0 HB2 SER A 111 -4.607 -8.908 10.620 1.00 0.00 H new ATOM 0 HB3 SER A 111 -3.338 -7.836 11.178 1.00 0.00 H new ATOM 0 HG SER A 111 -5.182 -7.821 12.586 1.00 0.00 H new ATOM 1032 N ARG A 112 -2.426 -8.049 8.455 1.00 0.00 N ATOM 1033 CA ARG A 112 -1.076 -8.029 7.882 1.00 0.00 C ATOM 1034 C ARG A 112 -1.050 -8.619 6.465 1.00 0.00 C ATOM 1035 O ARG A 112 -2.068 -9.088 5.955 1.00 0.00 O ATOM 1036 CB ARG A 112 -0.096 -8.788 8.794 1.00 0.00 C ATOM 1037 CG ARG A 112 -0.737 -9.879 9.641 1.00 0.00 C ATOM 1038 CD ARG A 112 0.290 -10.565 10.529 1.00 0.00 C ATOM 1039 NE ARG A 112 -0.284 -10.990 11.813 1.00 0.00 N ATOM 1040 CZ ARG A 112 -1.154 -11.984 11.956 1.00 0.00 C ATOM 1041 NH1 ARG A 112 -1.565 -12.672 10.908 1.00 0.00 N ATOM 1042 NH2 ARG A 112 -1.609 -12.293 13.157 1.00 0.00 N ATOM 0 H ARG A 112 -2.855 -8.974 8.492 1.00 0.00 H new ATOM 0 HA ARG A 112 -0.764 -6.987 7.812 1.00 0.00 H new ATOM 0 HB2 ARG A 112 0.683 -9.236 8.176 1.00 0.00 H new ATOM 0 HB3 ARG A 112 0.393 -8.073 9.455 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -1.524 -9.447 10.259 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -1.209 -10.616 8.992 1.00 0.00 H new ATOM 0 HD2 ARG A 112 0.696 -11.433 10.009 1.00 0.00 H new ATOM 0 HD3 ARG A 112 1.122 -9.885 10.712 1.00 0.00 H new ATOM 0 HE ARG A 112 0.005 -10.487 12.652 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -1.215 -12.443 9.978 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -2.233 -13.433 11.028 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -1.292 -11.769 13.973 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -2.277 -13.056 13.269 1.00 0.00 H new ATOM 1056 N VAL A 113 0.126 -8.582 5.836 1.00 0.00 N ATOM 1057 CA VAL A 113 0.306 -9.103 4.476 1.00 0.00 C ATOM 1058 C VAL A 113 1.335 -10.245 4.456 1.00 0.00 C ATOM 1059 O VAL A 113 2.055 -10.458 5.434 1.00 0.00 O ATOM 1060 CB VAL A 113 0.773 -7.990 3.505 1.00 0.00 C ATOM 1061 CG1 VAL A 113 0.297 -8.275 2.089 1.00 0.00 C ATOM 1062 CG2 VAL A 113 0.289 -6.617 3.963 1.00 0.00 C ATOM 0 H VAL A 113 0.974 -8.194 6.249 1.00 0.00 H new ATOM 0 HA VAL A 113 -0.663 -9.481 4.148 1.00 0.00 H new ATOM 0 HB VAL A 113 1.863 -7.983 3.510 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.636 -7.481 1.424 1.00 0.00 H new ATOM 0 HG12 VAL A 113 0.705 -9.228 1.753 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -0.792 -8.321 2.073 1.00 0.00 H new ATOM 0 HG21 VAL A 113 0.633 -5.857 3.261 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -0.800 -6.609 4.001 1.00 0.00 H new ATOM 0 HG23 VAL A 113 0.688 -6.402 4.954 1.00 0.00 H new ATOM 1072 N ASN A 114 1.412 -10.976 3.339 1.00 0.00 N ATOM 1073 CA ASN A 114 2.367 -12.082 3.215 1.00 0.00 C ATOM 1074 C ASN A 114 3.797 -11.556 3.057 1.00 0.00 C ATOM 1075 O ASN A 114 4.393 -11.651 1.982 1.00 0.00 O ATOM 1076 CB ASN A 114 2.001 -12.983 2.031 1.00 0.00 C ATOM 1077 CG ASN A 114 2.597 -14.376 2.147 1.00 0.00 C ATOM 1078 OD1 ASN A 114 3.748 -14.608 1.774 1.00 0.00 O ATOM 1079 ND2 ASN A 114 1.820 -15.314 2.662 1.00 0.00 N ATOM 0 H ASN A 114 0.830 -10.824 2.515 1.00 0.00 H new ATOM 0 HA ASN A 114 2.317 -12.671 4.130 1.00 0.00 H new ATOM 0 HB2 ASN A 114 0.916 -13.061 1.961 1.00 0.00 H new ATOM 0 HB3 ASN A 114 2.347 -12.520 1.107 1.00 0.00 H new ATOM 0 HD21 ASN A 114 2.169 -16.267 2.761 1.00 0.00 H new ATOM 0 HD22 ASN A 114 0.872 -15.084 2.960 1.00 0.00 H new ATOM 1086 N TYR A 115 4.337 -11.000 4.144 1.00 0.00 N ATOM 1087 CA TYR A 115 5.703 -10.451 4.141 1.00 0.00 C ATOM 1088 C TYR A 115 6.731 -11.511 3.741 1.00 0.00 C ATOM 1089 O TYR A 115 7.753 -11.186 3.137 1.00 0.00 O ATOM 1090 CB TYR A 115 6.075 -9.862 5.513 1.00 0.00 C ATOM 1091 CG TYR A 115 4.968 -9.076 6.179 1.00 0.00 C ATOM 1092 CD1 TYR A 115 4.370 -7.999 5.538 1.00 0.00 C ATOM 1093 CD2 TYR A 115 4.526 -9.410 7.451 1.00 0.00 C ATOM 1094 CE1 TYR A 115 3.360 -7.281 6.147 1.00 0.00 C ATOM 1095 CE2 TYR A 115 3.519 -8.695 8.066 1.00 0.00 C ATOM 1096 CZ TYR A 115 2.940 -7.633 7.410 1.00 0.00 C ATOM 1097 OH TYR A 115 1.923 -6.930 8.010 1.00 0.00 O ATOM 0 H TYR A 115 3.853 -10.916 5.038 1.00 0.00 H new ATOM 0 HA TYR A 115 5.720 -9.651 3.401 1.00 0.00 H new ATOM 0 HB2 TYR A 115 6.375 -10.675 6.174 1.00 0.00 H new ATOM 0 HB3 TYR A 115 6.942 -9.213 5.393 1.00 0.00 H new ATOM 0 HD1 TYR A 115 4.700 -7.719 4.548 1.00 0.00 H new ATOM 0 HD2 TYR A 115 4.978 -10.244 7.968 1.00 0.00 H new ATOM 0 HE1 TYR A 115 2.902 -6.448 5.635 1.00 0.00 H new ATOM 0 HE2 TYR A 115 3.187 -8.967 9.057 1.00 0.00 H new ATOM 0 HH TYR A 115 2.205 -6.646 8.905 1.00 0.00 H new ATOM 1107 N SER A 116 6.454 -12.777 4.076 1.00 0.00 N ATOM 1108 CA SER A 116 7.353 -13.885 3.740 1.00 0.00 C ATOM 1109 C SER A 116 7.835 -13.775 2.293 1.00 0.00 C ATOM 1110 O SER A 116 9.017 -13.976 2.007 1.00 0.00 O ATOM 1111 CB SER A 116 6.655 -15.231 3.963 1.00 0.00 C ATOM 1112 OG SER A 116 6.842 -15.689 5.294 1.00 0.00 O ATOM 0 H SER A 116 5.613 -13.059 4.580 1.00 0.00 H new ATOM 0 HA SER A 116 8.220 -13.827 4.398 1.00 0.00 H new ATOM 0 HB2 SER A 116 5.590 -15.130 3.756 1.00 0.00 H new ATOM 0 HB3 SER A 116 7.048 -15.968 3.263 1.00 0.00 H new ATOM 0 HG SER A 116 6.386 -16.548 5.411 1.00 0.00 H new ATOM 1118 N HIS A 117 6.920 -13.422 1.386 1.00 0.00 N ATOM 1119 CA HIS A 117 7.262 -13.253 -0.024 1.00 0.00 C ATOM 1120 C HIS A 117 7.903 -11.880 -0.259 1.00 0.00 C ATOM 1121 O HIS A 117 7.436 -11.089 -1.081 1.00 0.00 O ATOM 1122 CB HIS A 117 6.014 -13.404 -0.897 1.00 0.00 C ATOM 1123 CG HIS A 117 5.600 -14.816 -1.129 1.00 0.00 C ATOM 1124 ND1 HIS A 117 4.834 -15.535 -0.242 1.00 0.00 N ATOM 1125 CD2 HIS A 117 5.836 -15.634 -2.172 1.00 0.00 C ATOM 1126 CE1 HIS A 117 4.616 -16.744 -0.729 1.00 0.00 C ATOM 1127 NE2 HIS A 117 5.213 -16.832 -1.904 1.00 0.00 N ATOM 0 H HIS A 117 5.939 -13.249 1.605 1.00 0.00 H new ATOM 0 HA HIS A 117 7.979 -14.027 -0.298 1.00 0.00 H new ATOM 0 HB2 HIS A 117 5.189 -12.867 -0.428 1.00 0.00 H new ATOM 0 HB3 HIS A 117 6.198 -12.928 -1.860 1.00 0.00 H new ATOM 0 HD1 HIS A 117 4.488 -15.189 0.653 1.00 0.00 H new ATOM 0 HD2 HIS A 117 6.408 -15.394 -3.056 1.00 0.00 H new ATOM 0 HE1 HIS A 117 4.047 -17.526 -0.249 1.00 0.00 H new ATOM 1136 N CYS A 118 8.972 -11.606 0.483 1.00 0.00 N ATOM 1137 CA CYS A 118 9.688 -10.335 0.381 1.00 0.00 C ATOM 1138 C CYS A 118 11.175 -10.546 0.675 1.00 0.00 C ATOM 1139 O CYS A 118 11.644 -10.278 1.780 1.00 0.00 O ATOM 1140 CB CYS A 118 9.084 -9.317 1.358 1.00 0.00 C ATOM 1141 SG CYS A 118 9.069 -7.601 0.751 1.00 0.00 S ATOM 0 H CYS A 118 9.365 -12.252 1.167 1.00 0.00 H new ATOM 0 HA CYS A 118 9.588 -9.947 -0.633 1.00 0.00 H new ATOM 0 HB2 CYS A 118 8.061 -9.616 1.588 1.00 0.00 H new ATOM 0 HB3 CYS A 118 9.644 -9.353 2.292 1.00 0.00 H new ATOM 1146 N GLU A 119 11.904 -11.056 -0.315 1.00 0.00 N ATOM 1147 CA GLU A 119 13.334 -11.343 -0.160 1.00 0.00 C ATOM 1148 C GLU A 119 14.190 -10.557 -1.160 1.00 0.00 C ATOM 1149 O GLU A 119 13.670 -9.839 -2.014 1.00 0.00 O ATOM 1150 CB GLU A 119 13.560 -12.844 -0.379 1.00 0.00 C ATOM 1151 CG GLU A 119 13.517 -13.247 -1.852 1.00 0.00 C ATOM 1152 CD GLU A 119 14.386 -14.443 -2.170 1.00 0.00 C ATOM 1153 OE1 GLU A 119 15.614 -14.263 -2.324 1.00 0.00 O ATOM 1154 OE2 GLU A 119 13.833 -15.558 -2.273 1.00 0.00 O ATOM 0 H GLU A 119 11.530 -11.281 -1.237 1.00 0.00 H new ATOM 0 HA GLU A 119 13.634 -11.042 0.844 1.00 0.00 H new ATOM 0 HB2 GLU A 119 14.526 -13.125 0.041 1.00 0.00 H new ATOM 0 HB3 GLU A 119 12.800 -13.403 0.167 1.00 0.00 H new ATOM 0 HG2 GLU A 119 12.487 -13.470 -2.131 1.00 0.00 H new ATOM 0 HG3 GLU A 119 13.836 -12.402 -2.462 1.00 0.00 H new ATOM 1161 N PRO A 120 15.529 -10.711 -1.090 1.00 0.00 N ATOM 1162 CA PRO A 120 16.447 -10.060 -2.010 1.00 0.00 C ATOM 1163 C PRO A 120 16.596 -10.902 -3.285 1.00 0.00 C ATOM 1164 O PRO A 120 15.834 -10.729 -4.232 1.00 0.00 O ATOM 1165 CB PRO A 120 17.764 -9.977 -1.213 1.00 0.00 C ATOM 1166 CG PRO A 120 17.566 -10.819 0.018 1.00 0.00 C ATOM 1167 CD PRO A 120 16.261 -11.555 -0.144 1.00 0.00 C ATOM 0 HA PRO A 120 16.113 -9.077 -2.343 1.00 0.00 H new ATOM 0 HB2 PRO A 120 18.601 -10.346 -1.806 1.00 0.00 H new ATOM 0 HB3 PRO A 120 17.993 -8.945 -0.946 1.00 0.00 H new ATOM 0 HG2 PRO A 120 18.390 -11.522 0.139 1.00 0.00 H new ATOM 0 HG3 PRO A 120 17.546 -10.194 0.911 1.00 0.00 H new ATOM 0 HD2 PRO A 120 16.410 -12.563 -0.532 1.00 0.00 H new ATOM 0 HD3 PRO A 120 15.732 -11.654 0.804 1.00 0.00 H new ATOM 1175 N ILE A 121 17.548 -11.837 -3.291 1.00 0.00 N ATOM 1176 CA ILE A 121 17.752 -12.721 -4.442 1.00 0.00 C ATOM 1177 C ILE A 121 18.599 -13.935 -4.060 1.00 0.00 C ATOM 1178 O ILE A 121 19.808 -13.962 -4.296 1.00 0.00 O ATOM 1179 CB ILE A 121 18.405 -11.998 -5.650 1.00 0.00 C ATOM 1180 CG1 ILE A 121 19.054 -10.673 -5.230 1.00 0.00 C ATOM 1181 CG2 ILE A 121 17.370 -11.761 -6.741 1.00 0.00 C ATOM 1182 CD1 ILE A 121 19.593 -9.873 -6.393 1.00 0.00 C ATOM 0 H ILE A 121 18.189 -12.002 -2.515 1.00 0.00 H new ATOM 0 HA ILE A 121 16.758 -13.048 -4.747 1.00 0.00 H new ATOM 0 HB ILE A 121 19.193 -12.642 -6.040 1.00 0.00 H new ATOM 0 HG12 ILE A 121 18.320 -10.071 -4.694 1.00 0.00 H new ATOM 0 HG13 ILE A 121 19.866 -10.880 -4.533 1.00 0.00 H new ATOM 0 HG21 ILE A 121 17.839 -11.253 -7.584 1.00 0.00 H new ATOM 0 HG22 ILE A 121 16.966 -12.717 -7.073 1.00 0.00 H new ATOM 0 HG23 ILE A 121 16.563 -11.143 -6.349 1.00 0.00 H new ATOM 0 HD11 ILE A 121 20.038 -8.949 -6.024 1.00 0.00 H new ATOM 0 HD12 ILE A 121 20.351 -10.457 -6.916 1.00 0.00 H new ATOM 0 HD13 ILE A 121 18.780 -9.636 -7.079 1.00 0.00 H new ATOM 1194 N LEU A 122 17.956 -14.937 -3.460 1.00 0.00 N ATOM 1195 CA LEU A 122 18.644 -16.154 -3.041 1.00 0.00 C ATOM 1196 C LEU A 122 17.866 -17.405 -3.457 1.00 0.00 C ATOM 1197 O LEU A 122 16.680 -17.335 -3.789 1.00 0.00 O ATOM 1198 CB LEU A 122 18.855 -16.147 -1.523 1.00 0.00 C ATOM 1199 CG LEU A 122 20.126 -16.851 -1.043 1.00 0.00 C ATOM 1200 CD1 LEU A 122 20.736 -16.111 0.135 1.00 0.00 C ATOM 1201 CD2 LEU A 122 19.826 -18.291 -0.664 1.00 0.00 C ATOM 0 H LEU A 122 16.957 -14.928 -3.254 1.00 0.00 H new ATOM 0 HA LEU A 122 19.614 -16.178 -3.538 1.00 0.00 H new ATOM 0 HB2 LEU A 122 18.879 -15.113 -1.180 1.00 0.00 H new ATOM 0 HB3 LEU A 122 17.995 -16.620 -1.050 1.00 0.00 H new ATOM 0 HG LEU A 122 20.846 -16.850 -1.861 1.00 0.00 H new ATOM 0 HD11 LEU A 122 21.639 -16.628 0.461 1.00 0.00 H new ATOM 0 HD12 LEU A 122 20.988 -15.094 -0.165 1.00 0.00 H new ATOM 0 HD13 LEU A 122 20.019 -16.080 0.956 1.00 0.00 H new ATOM 0 HD21 LEU A 122 20.741 -18.776 -0.325 1.00 0.00 H new ATOM 0 HD22 LEU A 122 19.087 -18.310 0.137 1.00 0.00 H new ATOM 0 HD23 LEU A 122 19.434 -18.822 -1.532 1.00 0.00 H new TER 1213 LEU A 122 ATOM 1214 N LEU B 227 24.421 -2.376 1.688 1.00 0.00 N ATOM 1215 CA LEU B 227 23.026 -2.409 1.276 1.00 0.00 C ATOM 1216 C LEU B 227 22.295 -3.574 1.936 1.00 0.00 C ATOM 1217 O LEU B 227 21.069 -3.553 2.076 1.00 0.00 O ATOM 1218 CB LEU B 227 22.931 -2.508 -0.244 1.00 0.00 C ATOM 1219 CG LEU B 227 23.359 -1.249 -0.997 1.00 0.00 C ATOM 1220 CD1 LEU B 227 23.202 -1.444 -2.494 1.00 0.00 C ATOM 1221 CD2 LEU B 227 22.554 -0.043 -0.532 1.00 0.00 C ATOM 0 HA LEU B 227 22.547 -1.484 1.597 1.00 0.00 H new ATOM 0 HB2 LEU B 227 23.548 -3.342 -0.579 1.00 0.00 H new ATOM 0 HB3 LEU B 227 21.902 -2.744 -0.515 1.00 0.00 H new ATOM 0 HG LEU B 227 24.411 -1.064 -0.780 1.00 0.00 H new ATOM 0 HD11 LEU B 227 23.512 -0.537 -3.013 1.00 0.00 H new ATOM 0 HD12 LEU B 227 23.823 -2.279 -2.819 1.00 0.00 H new ATOM 0 HD13 LEU B 227 22.158 -1.657 -2.726 1.00 0.00 H new ATOM 0 HD21 LEU B 227 22.875 0.842 -1.081 1.00 0.00 H new ATOM 0 HD22 LEU B 227 21.494 -0.220 -0.716 1.00 0.00 H new ATOM 0 HD23 LEU B 227 22.716 0.113 0.535 1.00 0.00 H new ATOM 1233 N ALA B 228 23.061 -4.581 2.360 1.00 0.00 N ATOM 1234 CA ALA B 228 22.490 -5.748 3.033 1.00 0.00 C ATOM 1235 C ALA B 228 21.630 -5.305 4.219 1.00 0.00 C ATOM 1236 O ALA B 228 20.478 -5.726 4.360 1.00 0.00 O ATOM 1237 CB ALA B 228 23.594 -6.693 3.492 1.00 0.00 C ATOM 0 H ALA B 228 24.075 -4.612 2.250 1.00 0.00 H new ATOM 0 HA ALA B 228 21.856 -6.284 2.326 1.00 0.00 H new ATOM 0 HB1 ALA B 228 23.151 -7.555 3.990 1.00 0.00 H new ATOM 0 HB2 ALA B 228 24.168 -7.029 2.628 1.00 0.00 H new ATOM 0 HB3 ALA B 228 24.254 -6.172 4.186 1.00 0.00 H new ATOM 1243 N GLN B 229 22.191 -4.423 5.049 1.00 0.00 N ATOM 1244 CA GLN B 229 21.476 -3.887 6.205 1.00 0.00 C ATOM 1245 C GLN B 229 20.293 -3.037 5.742 1.00 0.00 C ATOM 1246 O GLN B 229 19.194 -3.136 6.295 1.00 0.00 O ATOM 1247 CB GLN B 229 22.416 -3.056 7.081 1.00 0.00 C ATOM 1248 CG GLN B 229 23.294 -3.897 7.996 1.00 0.00 C ATOM 1249 CD GLN B 229 24.039 -3.065 9.019 1.00 0.00 C ATOM 1250 OE1 GLN B 229 23.702 -3.069 10.199 1.00 0.00 O ATOM 1251 NE2 GLN B 229 25.058 -2.346 8.572 1.00 0.00 N ATOM 0 H GLN B 229 23.140 -4.065 4.940 1.00 0.00 H new ATOM 0 HA GLN B 229 21.101 -4.721 6.799 1.00 0.00 H new ATOM 0 HB2 GLN B 229 23.052 -2.446 6.440 1.00 0.00 H new ATOM 0 HB3 GLN B 229 21.824 -2.371 7.688 1.00 0.00 H new ATOM 0 HG2 GLN B 229 22.675 -4.631 8.512 1.00 0.00 H new ATOM 0 HG3 GLN B 229 24.012 -4.453 7.393 1.00 0.00 H new ATOM 0 HE21 GLN B 229 25.305 -2.371 7.583 1.00 0.00 H new ATOM 0 HE22 GLN B 229 25.596 -1.767 9.217 1.00 0.00 H new ATOM 1260 N GLU B 230 20.519 -2.225 4.700 1.00 0.00 N ATOM 1261 CA GLU B 230 19.464 -1.387 4.138 1.00 0.00 C ATOM 1262 C GLU B 230 18.266 -2.259 3.789 1.00 0.00 C ATOM 1263 O GLU B 230 17.165 -2.066 4.311 1.00 0.00 O ATOM 1264 CB GLU B 230 19.965 -0.653 2.889 1.00 0.00 C ATOM 1265 CG GLU B 230 20.700 0.642 3.195 1.00 0.00 C ATOM 1266 CD GLU B 230 19.771 1.839 3.284 1.00 0.00 C ATOM 1267 OE1 GLU B 230 20.056 2.899 2.728 1.00 0.00 O ATOM 0 H GLU B 230 21.422 -2.135 4.234 1.00 0.00 H new ATOM 0 HA GLU B 230 19.170 -0.640 4.875 1.00 0.00 H new ATOM 0 HB2 GLU B 230 20.629 -1.314 2.332 1.00 0.00 H new ATOM 0 HB3 GLU B 230 19.116 -0.434 2.242 1.00 0.00 H new ATOM 0 HG2 GLU B 230 21.238 0.535 4.137 1.00 0.00 H new ATOM 0 HG3 GLU B 230 21.445 0.823 2.421 1.00 0.00 H new ATOM 1274 N ALA B 231 18.504 -3.251 2.934 1.00 0.00 N ATOM 1275 CA ALA B 231 17.461 -4.188 2.542 1.00 0.00 C ATOM 1276 C ALA B 231 16.813 -4.804 3.785 1.00 0.00 C ATOM 1277 O ALA B 231 15.588 -4.933 3.861 1.00 0.00 O ATOM 1278 CB ALA B 231 18.040 -5.267 1.639 1.00 0.00 C ATOM 0 H ALA B 231 19.411 -3.424 2.501 1.00 0.00 H new ATOM 0 HA ALA B 231 16.691 -3.654 1.985 1.00 0.00 H new ATOM 0 HB1 ALA B 231 17.252 -5.963 1.352 1.00 0.00 H new ATOM 0 HB2 ALA B 231 18.461 -4.806 0.745 1.00 0.00 H new ATOM 0 HB3 ALA B 231 18.823 -5.806 2.172 1.00 0.00 H new ATOM 1284 N HIS B 232 17.644 -5.163 4.768 1.00 0.00 N ATOM 1285 CA HIS B 232 17.152 -5.741 6.015 1.00 0.00 C ATOM 1286 C HIS B 232 16.222 -4.761 6.727 1.00 0.00 C ATOM 1287 O HIS B 232 15.069 -5.092 7.008 1.00 0.00 O ATOM 1288 CB HIS B 232 18.318 -6.129 6.930 1.00 0.00 C ATOM 1289 CG HIS B 232 17.946 -7.098 8.013 1.00 0.00 C ATOM 1290 ND1 HIS B 232 16.681 -7.635 8.153 1.00 0.00 N ATOM 1291 CD2 HIS B 232 18.689 -7.627 9.011 1.00 0.00 C ATOM 1292 CE1 HIS B 232 16.666 -8.453 9.192 1.00 0.00 C ATOM 1293 NE2 HIS B 232 17.871 -8.466 9.730 1.00 0.00 N ATOM 0 H HIS B 232 18.658 -5.063 4.721 1.00 0.00 H new ATOM 0 HA HIS B 232 16.590 -6.643 5.774 1.00 0.00 H new ATOM 0 HB2 HIS B 232 19.113 -6.564 6.324 1.00 0.00 H new ATOM 0 HB3 HIS B 232 18.724 -5.227 7.387 1.00 0.00 H new ATOM 0 HD2 HIS B 232 19.732 -7.427 9.207 1.00 0.00 H new ATOM 0 HE1 HIS B 232 15.812 -9.015 9.541 1.00 0.00 H new ATOM 0 HE2 HIS B 232 18.150 -9.010 10.546 1.00 0.00 H new ATOM 1302 N LYS B 233 16.714 -3.545 6.990 1.00 0.00 N ATOM 1303 CA LYS B 233 15.895 -2.518 7.638 1.00 0.00 C ATOM 1304 C LYS B 233 14.662 -2.224 6.784 1.00 0.00 C ATOM 1305 O LYS B 233 13.564 -2.025 7.306 1.00 0.00 O ATOM 1306 CB LYS B 233 16.705 -1.233 7.873 1.00 0.00 C ATOM 1307 CG LYS B 233 17.181 -0.563 6.592 1.00 0.00 C ATOM 1308 CD LYS B 233 17.667 0.858 6.837 1.00 0.00 C ATOM 1309 CE LYS B 233 17.311 1.780 5.680 1.00 0.00 C ATOM 1310 NZ LYS B 233 17.899 1.332 4.419 1.00 0.00 N ATOM 0 H LYS B 233 17.665 -3.251 6.766 1.00 0.00 H new ATOM 0 HA LYS B 233 15.575 -2.893 8.610 1.00 0.00 H new ATOM 0 HB2 LYS B 233 16.094 -0.527 8.435 1.00 0.00 H new ATOM 0 HB3 LYS B 233 17.571 -1.469 8.492 1.00 0.00 H new ATOM 0 HG2 LYS B 233 17.987 -1.151 6.154 1.00 0.00 H new ATOM 0 HG3 LYS B 233 16.367 -0.548 5.867 1.00 0.00 H new ATOM 0 HD2 LYS B 233 17.225 1.241 7.757 1.00 0.00 H new ATOM 0 HD3 LYS B 233 18.748 0.854 6.980 1.00 0.00 H new ATOM 0 HE2 LYS B 233 16.227 1.829 5.577 1.00 0.00 H new ATOM 0 HE3 LYS B 233 17.656 2.790 5.902 1.00 0.00 H new ATOM 0 HZ1 LYS B 233 17.776 2.070 3.697 1.00 0.00 H new ATOM 0 HZ2 LYS B 233 18.913 1.146 4.555 1.00 0.00 H new ATOM 0 HZ3 LYS B 233 17.427 0.460 4.106 1.00 0.00 H new ATOM 1322 N ASN B 234 14.854 -2.224 5.460 1.00 0.00 N ATOM 1323 CA ASN B 234 13.763 -1.985 4.520 1.00 0.00 C ATOM 1324 C ASN B 234 12.714 -3.082 4.663 1.00 0.00 C ATOM 1325 O ASN B 234 11.541 -2.796 4.895 1.00 0.00 O ATOM 1326 CB ASN B 234 14.302 -1.915 3.085 1.00 0.00 C ATOM 1327 CG ASN B 234 15.118 -0.657 2.829 1.00 0.00 C ATOM 1328 OD1 ASN B 234 16.198 -0.710 2.245 1.00 0.00 O ATOM 1329 ND2 ASN B 234 14.610 0.488 3.258 1.00 0.00 N ATOM 0 H ASN B 234 15.759 -2.388 5.018 1.00 0.00 H new ATOM 0 HA ASN B 234 13.294 -1.027 4.746 1.00 0.00 H new ATOM 0 HB2 ASN B 234 14.920 -2.791 2.890 1.00 0.00 H new ATOM 0 HB3 ASN B 234 13.467 -1.951 2.385 1.00 0.00 H new ATOM 0 HD21 ASN B 234 15.118 1.360 3.107 1.00 0.00 H new ATOM 0 HD22 ASN B 234 13.711 0.498 3.740 1.00 0.00 H new ATOM 1336 N ARG B 235 13.144 -4.342 4.581 1.00 0.00 N ATOM 1337 CA ARG B 235 12.217 -5.454 4.770 1.00 0.00 C ATOM 1338 C ARG B 235 11.655 -5.380 6.185 1.00 0.00 C ATOM 1339 O ARG B 235 10.460 -5.554 6.396 1.00 0.00 O ATOM 1340 CB ARG B 235 12.896 -6.807 4.535 1.00 0.00 C ATOM 1341 CG ARG B 235 12.372 -7.548 3.310 1.00 0.00 C ATOM 1342 CD ARG B 235 12.415 -6.683 2.057 1.00 0.00 C ATOM 1343 NE ARG B 235 13.256 -7.274 1.010 1.00 0.00 N ATOM 1344 CZ ARG B 235 14.580 -7.321 1.055 1.00 0.00 C ATOM 1345 NH1 ARG B 235 15.233 -6.830 2.086 1.00 0.00 N ATOM 1346 NH2 ARG B 235 15.257 -7.852 0.061 1.00 0.00 N ATOM 0 H ARG B 235 14.108 -4.613 4.389 1.00 0.00 H new ATOM 0 HA ARG B 235 11.413 -5.371 4.039 1.00 0.00 H new ATOM 0 HB2 ARG B 235 13.969 -6.651 4.424 1.00 0.00 H new ATOM 0 HB3 ARG B 235 12.755 -7.433 5.416 1.00 0.00 H new ATOM 0 HG2 ARG B 235 12.966 -8.448 3.150 1.00 0.00 H new ATOM 0 HG3 ARG B 235 11.347 -7.871 3.493 1.00 0.00 H new ATOM 0 HD2 ARG B 235 11.403 -6.547 1.675 1.00 0.00 H new ATOM 0 HD3 ARG B 235 12.795 -5.694 2.312 1.00 0.00 H new ATOM 0 HE ARG B 235 12.792 -7.675 0.195 1.00 0.00 H new ATOM 0 HH11 ARG B 235 14.720 -6.408 2.860 1.00 0.00 H new ATOM 0 HH12 ARG B 235 16.252 -6.871 2.111 1.00 0.00 H new ATOM 0 HH21 ARG B 235 14.764 -8.229 -0.748 1.00 0.00 H new ATOM 0 HH22 ARG B 235 16.276 -7.887 0.099 1.00 0.00 H new ATOM 1360 N LYS B 236 12.528 -5.075 7.152 1.00 0.00 N ATOM 1361 CA LYS B 236 12.113 -4.927 8.542 1.00 0.00 C ATOM 1362 C LYS B 236 10.898 -4.007 8.625 1.00 0.00 C ATOM 1363 O LYS B 236 9.984 -4.251 9.408 1.00 0.00 O ATOM 1364 CB LYS B 236 13.261 -4.373 9.390 1.00 0.00 C ATOM 1365 CG LYS B 236 13.229 -4.838 10.835 1.00 0.00 C ATOM 1366 CD LYS B 236 13.438 -6.343 10.941 1.00 0.00 C ATOM 1367 CE LYS B 236 12.119 -7.082 11.112 1.00 0.00 C ATOM 1368 NZ LYS B 236 11.819 -7.352 12.545 1.00 0.00 N ATOM 0 H LYS B 236 13.525 -4.927 6.993 1.00 0.00 H new ATOM 0 HA LYS B 236 11.842 -5.907 8.934 1.00 0.00 H new ATOM 0 HB2 LYS B 236 14.209 -4.671 8.942 1.00 0.00 H new ATOM 0 HB3 LYS B 236 13.226 -3.284 9.367 1.00 0.00 H new ATOM 0 HG2 LYS B 236 14.003 -4.321 11.402 1.00 0.00 H new ATOM 0 HG3 LYS B 236 12.273 -4.570 11.284 1.00 0.00 H new ATOM 0 HD2 LYS B 236 13.945 -6.704 10.046 1.00 0.00 H new ATOM 0 HD3 LYS B 236 14.090 -6.561 11.787 1.00 0.00 H new ATOM 0 HE2 LYS B 236 11.313 -6.492 10.677 1.00 0.00 H new ATOM 0 HE3 LYS B 236 12.156 -8.024 10.565 1.00 0.00 H new ATOM 0 HZ1 LYS B 236 10.882 -7.796 12.626 1.00 0.00 H new ATOM 0 HZ2 LYS B 236 12.540 -7.991 12.936 1.00 0.00 H new ATOM 0 HZ3 LYS B 236 11.825 -6.458 13.076 1.00 0.00 H new ATOM 1382 N LEU B 237 10.884 -2.970 7.779 1.00 0.00 N ATOM 1383 CA LEU B 237 9.764 -2.028 7.714 1.00 0.00 C ATOM 1384 C LEU B 237 8.429 -2.783 7.606 1.00 0.00 C ATOM 1385 O LEU B 237 7.402 -2.307 8.091 1.00 0.00 O ATOM 1386 CB LEU B 237 9.956 -1.076 6.522 1.00 0.00 C ATOM 1387 CG LEU B 237 9.759 0.412 6.823 1.00 0.00 C ATOM 1388 CD1 LEU B 237 8.357 0.683 7.341 1.00 0.00 C ATOM 1389 CD2 LEU B 237 10.798 0.894 7.822 1.00 0.00 C ATOM 0 H LEU B 237 11.641 -2.763 7.127 1.00 0.00 H new ATOM 0 HA LEU B 237 9.740 -1.439 8.631 1.00 0.00 H new ATOM 0 HB2 LEU B 237 10.961 -1.218 6.126 1.00 0.00 H new ATOM 0 HB3 LEU B 237 9.259 -1.364 5.735 1.00 0.00 H new ATOM 0 HG LEU B 237 9.887 0.965 5.893 1.00 0.00 H new ATOM 0 HD11 LEU B 237 8.245 1.747 7.547 1.00 0.00 H new ATOM 0 HD12 LEU B 237 7.627 0.379 6.591 1.00 0.00 H new ATOM 0 HD13 LEU B 237 8.192 0.117 8.258 1.00 0.00 H new ATOM 0 HD21 LEU B 237 10.644 1.954 8.025 1.00 0.00 H new ATOM 0 HD22 LEU B 237 10.701 0.329 8.749 1.00 0.00 H new ATOM 0 HD23 LEU B 237 11.796 0.745 7.409 1.00 0.00 H new HETATM 1401 N NLE B 238 8.457 -3.980 7.003 1.00 0.00 N HETATM 1402 CA NLE B 238 7.257 -4.812 6.875 1.00 0.00 C HETATM 1403 C NLE B 238 6.730 -5.201 8.257 1.00 0.00 C HETATM 1404 O NLE B 238 5.523 -5.363 8.450 1.00 0.00 O HETATM 1405 CB NLE B 238 7.561 -6.067 6.050 1.00 0.00 C HETATM 1406 CG NLE B 238 6.802 -6.137 4.739 1.00 0.00 C HETATM 1407 CD NLE B 238 7.548 -5.420 3.629 1.00 0.00 C HETATM 1408 CE NLE B 238 6.634 -4.805 2.602 1.00 0.00 C HETATM 0 HG3 NLE B 238 6.648 -7.180 4.461 1.00 0.00 H new HETATM 0 HG2 NLE B 238 5.815 -5.691 4.864 1.00 0.00 H new HETATM 0 HE3 NLE B 238 6.028 -5.585 2.141 1.00 0.00 H new HETATM 0 HE2 NLE B 238 5.982 -4.077 3.085 1.00 0.00 H new HETATM 0 HE1 NLE B 238 7.229 -4.308 1.836 1.00 0.00 H new HETATM 0 HD3 NLE B 238 8.172 -4.640 4.064 1.00 0.00 H new HETATM 0 HD2 NLE B 238 8.217 -6.125 3.135 1.00 0.00 H new HETATM 0 HB3 NLE B 238 8.630 -6.103 5.842 1.00 0.00 H new HETATM 0 HB2 NLE B 238 7.322 -6.948 6.645 1.00 0.00 H new HETATM 0 HA NLE B 238 6.490 -4.235 6.359 1.00 0.00 H new ATOM 1420 N GLU B 239 7.642 -5.313 9.221 1.00 0.00 N ATOM 1421 CA GLU B 239 7.284 -5.637 10.597 1.00 0.00 C ATOM 1422 C GLU B 239 6.319 -4.585 11.149 1.00 0.00 C ATOM 1423 O GLU B 239 5.416 -4.892 11.930 1.00 0.00 O ATOM 1424 CB GLU B 239 8.553 -5.683 11.448 1.00 0.00 C ATOM 1425 CG GLU B 239 8.298 -6.032 12.900 1.00 0.00 C ATOM 1426 CD GLU B 239 8.433 -7.514 13.172 1.00 0.00 C ATOM 1427 OE1 GLU B 239 9.507 -8.078 12.859 1.00 0.00 O ATOM 1428 OE2 GLU B 239 7.473 -8.111 13.690 1.00 0.00 O ATOM 0 H GLU B 239 8.642 -5.182 9.070 1.00 0.00 H new ATOM 0 HA GLU B 239 6.792 -6.609 10.626 1.00 0.00 H new ATOM 0 HB2 GLU B 239 9.239 -6.415 11.022 1.00 0.00 H new ATOM 0 HB3 GLU B 239 9.049 -4.714 11.398 1.00 0.00 H new ATOM 0 HG2 GLU B 239 8.999 -5.485 13.530 1.00 0.00 H new ATOM 0 HG3 GLU B 239 7.296 -5.705 13.179 1.00 0.00 H new ATOM 1435 N ILE B 240 6.519 -3.345 10.705 1.00 0.00 N ATOM 1436 CA ILE B 240 5.682 -2.215 11.109 1.00 0.00 C ATOM 1437 C ILE B 240 4.245 -2.364 10.594 1.00 0.00 C ATOM 1438 O ILE B 240 3.319 -1.759 11.135 1.00 0.00 O ATOM 1439 CB ILE B 240 6.265 -0.885 10.582 1.00 0.00 C ATOM 1440 CG1 ILE B 240 7.660 -0.637 11.148 1.00 0.00 C ATOM 1441 CG2 ILE B 240 5.347 0.278 10.924 1.00 0.00 C ATOM 1442 CD1 ILE B 240 8.353 0.544 10.510 1.00 0.00 C ATOM 0 H ILE B 240 7.265 -3.095 10.056 1.00 0.00 H new ATOM 0 HA ILE B 240 5.668 -2.205 12.199 1.00 0.00 H new ATOM 0 HB ILE B 240 6.342 -0.962 9.497 1.00 0.00 H new ATOM 0 HG12 ILE B 240 7.586 -0.471 12.223 1.00 0.00 H new ATOM 0 HG13 ILE B 240 8.269 -1.530 11.004 1.00 0.00 H new ATOM 0 HG21 ILE B 240 5.777 1.205 10.544 1.00 0.00 H new ATOM 0 HG22 ILE B 240 4.370 0.117 10.468 1.00 0.00 H new ATOM 0 HG23 ILE B 240 5.235 0.347 12.006 1.00 0.00 H new ATOM 0 HD11 ILE B 240 9.341 0.670 10.954 1.00 0.00 H new ATOM 0 HD12 ILE B 240 8.456 0.370 9.439 1.00 0.00 H new ATOM 0 HD13 ILE B 240 7.763 1.445 10.676 1.00 0.00 H new ATOM 1454 N ILE B 241 4.063 -3.169 9.547 1.00 0.00 N ATOM 1455 CA ILE B 241 2.741 -3.387 8.969 1.00 0.00 C ATOM 1456 C ILE B 241 1.917 -4.344 9.834 1.00 0.00 C ATOM 1457 O ILE B 241 2.243 -5.530 9.958 1.00 0.00 O ATOM 1458 CB ILE B 241 2.831 -3.946 7.525 1.00 0.00 C ATOM 1459 CG1 ILE B 241 3.943 -3.254 6.730 1.00 0.00 C ATOM 1460 CG2 ILE B 241 1.505 -3.769 6.806 1.00 0.00 C ATOM 1461 CD1 ILE B 241 3.697 -1.779 6.508 1.00 0.00 C ATOM 0 H ILE B 241 4.815 -3.679 9.084 1.00 0.00 H new ATOM 0 HA ILE B 241 2.247 -2.416 8.934 1.00 0.00 H new ATOM 0 HB ILE B 241 3.066 -5.008 7.595 1.00 0.00 H new ATOM 0 HG12 ILE B 241 4.889 -3.381 7.257 1.00 0.00 H new ATOM 0 HG13 ILE B 241 4.048 -3.746 5.763 1.00 0.00 H new ATOM 0 HG21 ILE B 241 1.584 -4.166 5.794 1.00 0.00 H new ATOM 0 HG22 ILE B 241 0.724 -4.304 7.346 1.00 0.00 H new ATOM 0 HG23 ILE B 241 1.254 -2.709 6.761 1.00 0.00 H new ATOM 0 HD11 ILE B 241 4.524 -1.354 5.939 1.00 0.00 H new ATOM 0 HD12 ILE B 241 2.768 -1.644 5.954 1.00 0.00 H new ATOM 0 HD13 ILE B 241 3.622 -1.274 7.471 1.00 0.00 H new TER 1473 ILE B 241