USER MOD reduce.3.24.130724 H: found=0, std=0, add=812, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 807 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 88 TYR OH : rot -53:sc= 1.14 USER MOD Set 1.2: A 92 GLN : amide:sc= -7.71! C(o=-6.6!,f=-4.3!) USER MOD Set 2.1: A 38 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 64 ASN : amide:sc= 1.11 K(o=1.1,f=-0.28) USER MOD Single : A 1 GLY N :NH3+ -117:sc= 0.0757 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.0128 K(o=-0.013,f=-1.3) USER MOD Single : A 11 SER OG : rot 6:sc= 0.458 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= -0.108 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc=-0.000503 X(o=-0.0005,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -163:sc= -0.016 (180deg=-0.336) USER MOD Single : A 28 ASN : amide:sc= -1.43 K(o=-1.4,f=-0.27) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -130:sc= -0.68 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -2.38! C(o=-2.4!,f=-3.9!) USER MOD Single : A 49 LYS NZ :NH3+ -122:sc= -0.0551 (180deg=-0.607) USER MOD Single : A 50 ASN : amide:sc= 0.986 K(o=0.99,f=0) USER MOD Single : A 53 ASN : amide:sc= -3.68 K(o=-3.7,f=-10!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 HIS : no HD1:sc= -6.13! C(o=-6.1!,f=-8.2!) USER MOD Single : A 71 THR OG1 : rot -79:sc= 0.697 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 166:sc= -1.7 (180deg=-2.69!) USER MOD Single : A 77 ASN : amide:sc= -0.573 K(o=-0.57,f=-1.4!) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.21 X(o=-0.21,f=0) USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 23.437 -25.065 -4.285 1.00 0.00 N ATOM 2 CA GLY A 1 23.685 -24.634 -5.649 1.00 0.00 C ATOM 3 C GLY A 1 22.609 -23.701 -6.167 1.00 0.00 C ATOM 4 O GLY A 1 21.581 -23.506 -5.517 1.00 0.00 O ATOM 0 H1 GLY A 1 24.202 -24.724 -3.669 1.00 0.00 H new ATOM 0 H2 GLY A 1 22.530 -24.676 -3.958 1.00 0.00 H new ATOM 0 H3 GLY A 1 23.401 -26.104 -4.250 1.00 0.00 H new ATOM 0 HA2 GLY A 1 24.651 -24.132 -5.698 1.00 0.00 H new ATOM 0 HA3 GLY A 1 23.747 -25.508 -6.297 1.00 0.00 H new ATOM 8 N SER A 2 22.845 -23.121 -7.339 1.00 0.00 N ATOM 9 CA SER A 2 21.889 -22.198 -7.942 1.00 0.00 C ATOM 10 C SER A 2 21.878 -22.343 -9.460 1.00 0.00 C ATOM 11 O SER A 2 22.917 -22.568 -10.081 1.00 0.00 O ATOM 12 CB SER A 2 22.229 -20.757 -7.558 1.00 0.00 C ATOM 13 OG SER A 2 23.520 -20.397 -8.017 1.00 0.00 O ATOM 0 H SER A 2 23.689 -23.273 -7.890 1.00 0.00 H new ATOM 0 HA SER A 2 20.896 -22.443 -7.564 1.00 0.00 H new ATOM 0 HB2 SER A 2 21.487 -20.080 -7.982 1.00 0.00 H new ATOM 0 HB3 SER A 2 22.181 -20.645 -6.475 1.00 0.00 H new ATOM 0 HG SER A 2 23.712 -19.471 -7.760 1.00 0.00 H new ATOM 19 N SER A 3 20.695 -22.211 -10.052 1.00 0.00 N ATOM 20 CA SER A 3 20.546 -22.331 -11.498 1.00 0.00 C ATOM 21 C SER A 3 19.121 -21.997 -11.927 1.00 0.00 C ATOM 22 O SER A 3 18.165 -22.250 -11.195 1.00 0.00 O ATOM 23 CB SER A 3 20.910 -23.745 -11.954 1.00 0.00 C ATOM 24 OG SER A 3 21.348 -23.750 -13.302 1.00 0.00 O ATOM 0 H SER A 3 19.826 -22.021 -9.553 1.00 0.00 H new ATOM 0 HA SER A 3 21.225 -21.619 -11.968 1.00 0.00 H new ATOM 0 HB2 SER A 3 21.694 -24.147 -11.312 1.00 0.00 H new ATOM 0 HB3 SER A 3 20.044 -24.399 -11.847 1.00 0.00 H new ATOM 0 HG SER A 3 21.576 -24.665 -13.568 1.00 0.00 H new ATOM 30 N GLY A 4 18.987 -21.425 -13.120 1.00 0.00 N ATOM 31 CA GLY A 4 17.676 -21.065 -13.627 1.00 0.00 C ATOM 32 C GLY A 4 17.558 -19.584 -13.931 1.00 0.00 C ATOM 33 O GLY A 4 17.727 -18.747 -13.044 1.00 0.00 O ATOM 0 H GLY A 4 19.763 -21.205 -13.744 1.00 0.00 H new ATOM 0 HA2 GLY A 4 17.471 -21.636 -14.532 1.00 0.00 H new ATOM 0 HA3 GLY A 4 16.918 -21.344 -12.895 1.00 0.00 H new ATOM 37 N SER A 5 17.270 -19.261 -15.187 1.00 0.00 N ATOM 38 CA SER A 5 17.136 -17.871 -15.607 1.00 0.00 C ATOM 39 C SER A 5 15.845 -17.662 -16.392 1.00 0.00 C ATOM 40 O SER A 5 15.557 -18.394 -17.339 1.00 0.00 O ATOM 41 CB SER A 5 18.337 -17.455 -16.458 1.00 0.00 C ATOM 42 OG SER A 5 19.539 -17.522 -15.711 1.00 0.00 O ATOM 0 H SER A 5 17.125 -19.943 -15.932 1.00 0.00 H new ATOM 0 HA SER A 5 17.101 -17.249 -14.712 1.00 0.00 H new ATOM 0 HB2 SER A 5 18.411 -18.104 -17.330 1.00 0.00 H new ATOM 0 HB3 SER A 5 18.191 -16.440 -16.827 1.00 0.00 H new ATOM 0 HG SER A 5 20.292 -17.253 -16.278 1.00 0.00 H new ATOM 48 N SER A 6 15.071 -16.659 -15.991 1.00 0.00 N ATOM 49 CA SER A 6 13.808 -16.356 -16.654 1.00 0.00 C ATOM 50 C SER A 6 13.783 -14.910 -17.140 1.00 0.00 C ATOM 51 O SER A 6 14.455 -14.044 -16.582 1.00 0.00 O ATOM 52 CB SER A 6 12.635 -16.606 -15.704 1.00 0.00 C ATOM 53 OG SER A 6 12.217 -17.959 -15.756 1.00 0.00 O ATOM 0 H SER A 6 15.296 -16.042 -15.210 1.00 0.00 H new ATOM 0 HA SER A 6 13.713 -17.014 -17.518 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.927 -16.351 -14.685 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.803 -15.954 -15.969 1.00 0.00 H new ATOM 0 HG SER A 6 11.468 -18.094 -15.139 1.00 0.00 H new ATOM 59 N GLY A 7 13.002 -14.657 -18.187 1.00 0.00 N ATOM 60 CA GLY A 7 12.904 -13.315 -18.731 1.00 0.00 C ATOM 61 C GLY A 7 11.909 -13.224 -19.871 1.00 0.00 C ATOM 62 O GLY A 7 11.063 -12.329 -19.896 1.00 0.00 O ATOM 0 H GLY A 7 12.436 -15.357 -18.667 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.609 -12.626 -17.940 1.00 0.00 H new ATOM 0 HA3 GLY A 7 13.885 -12.996 -19.083 1.00 0.00 H new ATOM 66 N ARG A 8 12.010 -14.151 -20.818 1.00 0.00 N ATOM 67 CA ARG A 8 11.114 -14.170 -21.968 1.00 0.00 C ATOM 68 C ARG A 8 9.689 -13.815 -21.552 1.00 0.00 C ATOM 69 O ARG A 8 9.206 -14.264 -20.513 1.00 0.00 O ATOM 70 CB ARG A 8 11.134 -15.546 -22.635 1.00 0.00 C ATOM 71 CG ARG A 8 12.414 -15.832 -23.403 1.00 0.00 C ATOM 72 CD ARG A 8 12.317 -17.132 -24.186 1.00 0.00 C ATOM 73 NE ARG A 8 12.600 -18.296 -23.350 1.00 0.00 N ATOM 74 CZ ARG A 8 12.197 -19.527 -23.644 1.00 0.00 C ATOM 75 NH1 ARG A 8 11.497 -19.753 -24.746 1.00 0.00 N ATOM 76 NH2 ARG A 8 12.495 -20.535 -22.834 1.00 0.00 N ATOM 0 H ARG A 8 12.704 -14.899 -20.811 1.00 0.00 H new ATOM 0 HA ARG A 8 11.463 -13.424 -22.681 1.00 0.00 H new ATOM 0 HB2 ARG A 8 10.999 -16.312 -21.872 1.00 0.00 H new ATOM 0 HB3 ARG A 8 10.287 -15.622 -23.316 1.00 0.00 H new ATOM 0 HG2 ARG A 8 12.620 -15.009 -24.087 1.00 0.00 H new ATOM 0 HG3 ARG A 8 13.252 -15.887 -22.708 1.00 0.00 H new ATOM 0 HD2 ARG A 8 11.318 -17.225 -24.611 1.00 0.00 H new ATOM 0 HD3 ARG A 8 13.018 -17.106 -25.021 1.00 0.00 H new ATOM 0 HE ARG A 8 13.136 -18.156 -22.494 1.00 0.00 H new ATOM 0 HH11 ARG A 8 11.266 -18.981 -25.371 1.00 0.00 H new ATOM 0 HH12 ARG A 8 11.189 -20.699 -24.969 1.00 0.00 H new ATOM 0 HH21 ARG A 8 13.034 -20.365 -21.985 1.00 0.00 H new ATOM 0 HH22 ARG A 8 12.185 -21.480 -23.061 1.00 0.00 H new ATOM 90 N GLN A 9 9.023 -13.007 -22.371 1.00 0.00 N ATOM 91 CA GLN A 9 7.654 -12.592 -22.087 1.00 0.00 C ATOM 92 C GLN A 9 6.686 -13.168 -23.115 1.00 0.00 C ATOM 93 O GLN A 9 5.783 -12.478 -23.586 1.00 0.00 O ATOM 94 CB GLN A 9 7.554 -11.066 -22.074 1.00 0.00 C ATOM 95 CG GLN A 9 7.856 -10.425 -23.419 1.00 0.00 C ATOM 96 CD GLN A 9 7.530 -8.945 -23.446 1.00 0.00 C ATOM 97 OE1 GLN A 9 6.748 -8.454 -22.631 1.00 0.00 O ATOM 98 NE2 GLN A 9 8.129 -8.224 -24.387 1.00 0.00 N ATOM 0 H GLN A 9 9.409 -12.627 -23.236 1.00 0.00 H new ATOM 0 HA GLN A 9 7.381 -12.975 -21.104 1.00 0.00 H new ATOM 0 HB2 GLN A 9 6.550 -10.779 -21.761 1.00 0.00 H new ATOM 0 HB3 GLN A 9 8.245 -10.671 -21.329 1.00 0.00 H new ATOM 0 HG2 GLN A 9 8.911 -10.565 -23.655 1.00 0.00 H new ATOM 0 HG3 GLN A 9 7.285 -10.933 -24.196 1.00 0.00 H new ATOM 0 HE21 GLN A 9 8.770 -8.672 -25.042 1.00 0.00 H new ATOM 0 HE22 GLN A 9 7.948 -7.222 -24.455 1.00 0.00 H new ATOM 107 N ARG A 10 6.881 -14.437 -23.458 1.00 0.00 N ATOM 108 CA ARG A 10 6.026 -15.106 -24.432 1.00 0.00 C ATOM 109 C ARG A 10 5.439 -16.388 -23.850 1.00 0.00 C ATOM 110 O ARG A 10 5.361 -17.411 -24.529 1.00 0.00 O ATOM 111 CB ARG A 10 6.817 -15.425 -25.702 1.00 0.00 C ATOM 112 CG ARG A 10 7.535 -14.222 -26.291 1.00 0.00 C ATOM 113 CD ARG A 10 6.659 -13.486 -27.293 1.00 0.00 C ATOM 114 NE ARG A 10 6.270 -14.340 -28.412 1.00 0.00 N ATOM 115 CZ ARG A 10 5.885 -13.872 -29.594 1.00 0.00 C ATOM 116 NH1 ARG A 10 5.837 -12.564 -29.809 1.00 0.00 N ATOM 117 NH2 ARG A 10 5.547 -14.712 -30.563 1.00 0.00 N ATOM 0 H ARG A 10 7.624 -15.023 -23.076 1.00 0.00 H new ATOM 0 HA ARG A 10 5.206 -14.433 -24.682 1.00 0.00 H new ATOM 0 HB2 ARG A 10 7.549 -16.201 -25.478 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.138 -15.834 -26.450 1.00 0.00 H new ATOM 0 HG2 ARG A 10 7.824 -13.542 -25.490 1.00 0.00 H new ATOM 0 HG3 ARG A 10 8.453 -14.548 -26.779 1.00 0.00 H new ATOM 0 HD2 ARG A 10 5.765 -13.117 -26.790 1.00 0.00 H new ATOM 0 HD3 ARG A 10 7.194 -12.615 -27.671 1.00 0.00 H new ATOM 0 HE ARG A 10 6.295 -15.351 -28.279 1.00 0.00 H new ATOM 0 HH11 ARG A 10 6.096 -11.915 -29.066 1.00 0.00 H new ATOM 0 HH12 ARG A 10 5.541 -12.207 -30.718 1.00 0.00 H new ATOM 0 HH21 ARG A 10 5.583 -15.718 -30.401 1.00 0.00 H new ATOM 0 HH22 ARG A 10 5.251 -14.352 -31.470 1.00 0.00 H new ATOM 131 N SER A 11 5.027 -16.324 -22.587 1.00 0.00 N ATOM 132 CA SER A 11 4.450 -17.480 -21.912 1.00 0.00 C ATOM 133 C SER A 11 3.548 -17.044 -20.762 1.00 0.00 C ATOM 134 O SER A 11 3.728 -15.968 -20.189 1.00 0.00 O ATOM 135 CB SER A 11 5.558 -18.396 -21.387 1.00 0.00 C ATOM 136 OG SER A 11 6.247 -19.026 -22.453 1.00 0.00 O ATOM 0 H SER A 11 5.082 -15.484 -22.011 1.00 0.00 H new ATOM 0 HA SER A 11 3.847 -18.028 -22.636 1.00 0.00 H new ATOM 0 HB2 SER A 11 6.260 -17.816 -20.788 1.00 0.00 H new ATOM 0 HB3 SER A 11 5.128 -19.152 -20.730 1.00 0.00 H new ATOM 0 HG SER A 11 5.931 -18.663 -23.307 1.00 0.00 H new ATOM 142 N LEU A 12 2.575 -17.886 -20.429 1.00 0.00 N ATOM 143 CA LEU A 12 1.643 -17.588 -19.347 1.00 0.00 C ATOM 144 C LEU A 12 2.128 -18.186 -18.031 1.00 0.00 C ATOM 145 O LEU A 12 2.146 -19.405 -17.860 1.00 0.00 O ATOM 146 CB LEU A 12 0.252 -18.128 -19.684 1.00 0.00 C ATOM 147 CG LEU A 12 -0.880 -17.694 -18.752 1.00 0.00 C ATOM 148 CD1 LEU A 12 -1.190 -16.217 -18.941 1.00 0.00 C ATOM 149 CD2 LEU A 12 -2.124 -18.537 -18.994 1.00 0.00 C ATOM 0 H LEU A 12 2.411 -18.780 -20.893 1.00 0.00 H new ATOM 0 HA LEU A 12 1.589 -16.505 -19.234 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.000 -17.818 -20.698 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.297 -19.217 -19.685 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.556 -17.848 -17.723 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.998 -15.926 -18.270 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.301 -15.627 -18.716 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.493 -16.038 -19.973 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.919 -18.214 -18.322 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.450 -18.416 -20.027 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.895 -19.586 -18.807 1.00 0.00 H new ATOM 161 N SER A 13 2.519 -17.320 -17.102 1.00 0.00 N ATOM 162 CA SER A 13 3.007 -17.762 -15.800 1.00 0.00 C ATOM 163 C SER A 13 2.135 -17.209 -14.677 1.00 0.00 C ATOM 164 O SER A 13 1.616 -16.095 -14.768 1.00 0.00 O ATOM 165 CB SER A 13 4.458 -17.322 -15.599 1.00 0.00 C ATOM 166 OG SER A 13 4.935 -17.709 -14.322 1.00 0.00 O ATOM 0 H SER A 13 2.508 -16.308 -17.226 1.00 0.00 H new ATOM 0 HA SER A 13 2.958 -18.851 -15.772 1.00 0.00 H new ATOM 0 HB2 SER A 13 5.086 -17.762 -16.374 1.00 0.00 H new ATOM 0 HB3 SER A 13 4.531 -16.240 -15.706 1.00 0.00 H new ATOM 0 HG SER A 13 5.865 -17.418 -14.218 1.00 0.00 H new ATOM 172 N THR A 14 1.977 -17.995 -13.617 1.00 0.00 N ATOM 173 CA THR A 14 1.167 -17.586 -12.476 1.00 0.00 C ATOM 174 C THR A 14 1.833 -16.449 -11.709 1.00 0.00 C ATOM 175 O THR A 14 2.911 -16.619 -11.141 1.00 0.00 O ATOM 176 CB THR A 14 0.919 -18.763 -11.513 1.00 0.00 C ATOM 177 OG1 THR A 14 0.096 -18.337 -10.421 1.00 0.00 O ATOM 178 CG2 THR A 14 2.233 -19.313 -10.981 1.00 0.00 C ATOM 0 H THR A 14 2.399 -18.919 -13.525 1.00 0.00 H new ATOM 0 HA THR A 14 0.212 -17.243 -12.873 1.00 0.00 H new ATOM 0 HB THR A 14 0.410 -19.554 -12.064 1.00 0.00 H new ATOM 0 HG1 THR A 14 -0.058 -19.091 -9.814 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.032 -20.143 -10.303 1.00 0.00 H new ATOM 0 HG22 THR A 14 2.844 -19.663 -11.813 1.00 0.00 H new ATOM 0 HG23 THR A 14 2.766 -18.528 -10.445 1.00 0.00 H new ATOM 186 N SER A 15 1.182 -15.290 -11.697 1.00 0.00 N ATOM 187 CA SER A 15 1.713 -14.123 -11.001 1.00 0.00 C ATOM 188 C SER A 15 0.614 -13.096 -10.746 1.00 0.00 C ATOM 189 O SER A 15 -0.400 -13.070 -11.442 1.00 0.00 O ATOM 190 CB SER A 15 2.841 -13.487 -11.816 1.00 0.00 C ATOM 191 OG SER A 15 3.777 -12.840 -10.972 1.00 0.00 O ATOM 0 H SER A 15 0.287 -15.134 -12.161 1.00 0.00 H new ATOM 0 HA SER A 15 2.109 -14.452 -10.040 1.00 0.00 H new ATOM 0 HB2 SER A 15 3.346 -14.253 -12.404 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.424 -12.768 -12.521 1.00 0.00 H new ATOM 0 HG SER A 15 4.489 -12.443 -11.516 1.00 0.00 H new ATOM 197 N GLY A 16 0.824 -12.252 -9.741 1.00 0.00 N ATOM 198 CA GLY A 16 -0.157 -11.234 -9.410 1.00 0.00 C ATOM 199 C GLY A 16 0.398 -10.175 -8.478 1.00 0.00 C ATOM 200 O GLY A 16 0.669 -10.449 -7.310 1.00 0.00 O ATOM 0 H GLY A 16 1.655 -12.254 -9.150 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.507 -10.759 -10.327 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -1.023 -11.706 -8.945 1.00 0.00 H new ATOM 204 N GLU A 17 0.569 -8.963 -8.997 1.00 0.00 N ATOM 205 CA GLU A 17 1.098 -7.861 -8.203 1.00 0.00 C ATOM 206 C GLU A 17 0.286 -7.673 -6.924 1.00 0.00 C ATOM 207 O GLU A 17 -0.941 -7.776 -6.934 1.00 0.00 O ATOM 208 CB GLU A 17 1.091 -6.566 -9.018 1.00 0.00 C ATOM 209 CG GLU A 17 1.401 -5.327 -8.195 1.00 0.00 C ATOM 210 CD GLU A 17 0.167 -4.741 -7.537 1.00 0.00 C ATOM 211 OE1 GLU A 17 -0.947 -4.977 -8.050 1.00 0.00 O ATOM 212 OE2 GLU A 17 0.315 -4.048 -6.509 1.00 0.00 O ATOM 0 H GLU A 17 0.349 -8.720 -9.963 1.00 0.00 H new ATOM 0 HA GLU A 17 2.125 -8.105 -7.930 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.821 -6.649 -9.823 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.114 -6.446 -9.486 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.133 -5.579 -7.427 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.858 -4.574 -8.837 1.00 0.00 H new ATOM 219 N SER A 18 0.980 -7.398 -5.824 1.00 0.00 N ATOM 220 CA SER A 18 0.326 -7.200 -4.536 1.00 0.00 C ATOM 221 C SER A 18 0.760 -5.882 -3.903 1.00 0.00 C ATOM 222 O SER A 18 1.490 -5.098 -4.511 1.00 0.00 O ATOM 223 CB SER A 18 0.646 -8.362 -3.594 1.00 0.00 C ATOM 224 OG SER A 18 -0.378 -8.534 -2.630 1.00 0.00 O ATOM 0 H SER A 18 1.996 -7.307 -5.799 1.00 0.00 H new ATOM 0 HA SER A 18 -0.750 -7.164 -4.704 1.00 0.00 H new ATOM 0 HB2 SER A 18 0.765 -9.279 -4.170 1.00 0.00 H new ATOM 0 HB3 SER A 18 1.595 -8.176 -3.092 1.00 0.00 H new ATOM 0 HG SER A 18 -0.150 -9.284 -2.041 1.00 0.00 H new ATOM 230 N LEU A 19 0.305 -5.643 -2.678 1.00 0.00 N ATOM 231 CA LEU A 19 0.645 -4.420 -1.960 1.00 0.00 C ATOM 232 C LEU A 19 2.146 -4.153 -2.019 1.00 0.00 C ATOM 233 O LEU A 19 2.578 -3.018 -2.219 1.00 0.00 O ATOM 234 CB LEU A 19 0.190 -4.516 -0.503 1.00 0.00 C ATOM 235 CG LEU A 19 -1.317 -4.422 -0.264 1.00 0.00 C ATOM 236 CD1 LEU A 19 -1.661 -4.853 1.154 1.00 0.00 C ATOM 237 CD2 LEU A 19 -1.812 -3.007 -0.527 1.00 0.00 C ATOM 0 H LEU A 19 -0.301 -6.280 -2.161 1.00 0.00 H new ATOM 0 HA LEU A 19 0.127 -3.590 -2.442 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.544 -5.462 -0.094 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.678 -3.722 0.062 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.818 -5.096 -0.959 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.738 -4.779 1.306 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.342 -5.884 1.308 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.149 -4.205 1.866 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.887 -2.959 -0.352 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.304 -2.313 0.143 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.600 -2.734 -1.561 1.00 0.00 H new ATOM 249 N TYR A 20 2.936 -5.207 -1.846 1.00 0.00 N ATOM 250 CA TYR A 20 4.389 -5.087 -1.880 1.00 0.00 C ATOM 251 C TYR A 20 4.826 -4.054 -2.913 1.00 0.00 C ATOM 252 O TYR A 20 5.610 -3.153 -2.614 1.00 0.00 O ATOM 253 CB TYR A 20 5.026 -6.442 -2.194 1.00 0.00 C ATOM 254 CG TYR A 20 4.371 -7.600 -1.476 1.00 0.00 C ATOM 255 CD1 TYR A 20 4.418 -7.701 -0.091 1.00 0.00 C ATOM 256 CD2 TYR A 20 3.705 -8.594 -2.183 1.00 0.00 C ATOM 257 CE1 TYR A 20 3.822 -8.758 0.568 1.00 0.00 C ATOM 258 CE2 TYR A 20 3.104 -9.654 -1.532 1.00 0.00 C ATOM 259 CZ TYR A 20 3.166 -9.732 -0.156 1.00 0.00 C ATOM 260 OH TYR A 20 2.570 -10.786 0.497 1.00 0.00 O ATOM 0 H TYR A 20 2.595 -6.154 -1.681 1.00 0.00 H new ATOM 0 HA TYR A 20 4.724 -4.755 -0.898 1.00 0.00 H new ATOM 0 HB2 TYR A 20 4.976 -6.617 -3.269 1.00 0.00 H new ATOM 0 HB3 TYR A 20 6.082 -6.409 -1.925 1.00 0.00 H new ATOM 0 HD1 TYR A 20 4.929 -6.940 0.480 1.00 0.00 H new ATOM 0 HD2 TYR A 20 3.656 -8.537 -3.260 1.00 0.00 H new ATOM 0 HE1 TYR A 20 3.869 -8.822 1.645 1.00 0.00 H new ATOM 0 HE2 TYR A 20 2.589 -10.417 -2.097 1.00 0.00 H new ATOM 0 HH TYR A 20 2.150 -11.382 -0.158 1.00 0.00 H new ATOM 270 N HIS A 21 4.314 -4.192 -4.132 1.00 0.00 N ATOM 271 CA HIS A 21 4.650 -3.271 -5.212 1.00 0.00 C ATOM 272 C HIS A 21 4.387 -1.827 -4.796 1.00 0.00 C ATOM 273 O HIS A 21 5.252 -0.962 -4.935 1.00 0.00 O ATOM 274 CB HIS A 21 3.844 -3.607 -6.467 1.00 0.00 C ATOM 275 CG HIS A 21 4.530 -3.220 -7.741 1.00 0.00 C ATOM 276 ND1 HIS A 21 4.012 -2.296 -8.624 1.00 0.00 N ATOM 277 CD2 HIS A 21 5.701 -3.636 -8.278 1.00 0.00 C ATOM 278 CE1 HIS A 21 4.834 -2.162 -9.649 1.00 0.00 C ATOM 279 NE2 HIS A 21 5.867 -2.964 -9.463 1.00 0.00 N ATOM 0 H HIS A 21 3.665 -4.933 -4.397 1.00 0.00 H new ATOM 0 HA HIS A 21 5.712 -3.380 -5.432 1.00 0.00 H new ATOM 0 HB2 HIS A 21 3.642 -4.678 -6.483 1.00 0.00 H new ATOM 0 HB3 HIS A 21 2.879 -3.102 -6.415 1.00 0.00 H new ATOM 0 HD2 HIS A 21 6.379 -4.362 -7.853 1.00 0.00 H new ATOM 0 HE1 HIS A 21 4.687 -1.508 -10.496 1.00 0.00 H new ATOM 0 HE2 HIS A 21 6.659 -3.067 -10.097 1.00 0.00 H new ATOM 287 N VAL A 22 3.186 -1.573 -4.284 1.00 0.00 N ATOM 288 CA VAL A 22 2.809 -0.234 -3.848 1.00 0.00 C ATOM 289 C VAL A 22 3.977 0.472 -3.170 1.00 0.00 C ATOM 290 O VAL A 22 4.186 1.671 -3.359 1.00 0.00 O ATOM 291 CB VAL A 22 1.615 -0.277 -2.875 1.00 0.00 C ATOM 292 CG1 VAL A 22 1.306 1.116 -2.348 1.00 0.00 C ATOM 293 CG2 VAL A 22 0.396 -0.881 -3.555 1.00 0.00 C ATOM 0 H VAL A 22 2.458 -2.277 -4.161 1.00 0.00 H new ATOM 0 HA VAL A 22 2.522 0.321 -4.741 1.00 0.00 H new ATOM 0 HB VAL A 22 1.881 -0.909 -2.028 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.460 1.066 -1.662 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.177 1.507 -1.822 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.059 1.774 -3.181 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.438 -0.904 -2.854 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.126 -0.277 -4.421 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.626 -1.896 -3.879 1.00 0.00 H new ATOM 303 N LEU A 23 4.737 -0.278 -2.379 1.00 0.00 N ATOM 304 CA LEU A 23 5.887 0.276 -1.673 1.00 0.00 C ATOM 305 C LEU A 23 7.153 0.156 -2.515 1.00 0.00 C ATOM 306 O LEU A 23 7.911 1.115 -2.653 1.00 0.00 O ATOM 307 CB LEU A 23 6.081 -0.439 -0.334 1.00 0.00 C ATOM 308 CG LEU A 23 4.870 -0.455 0.600 1.00 0.00 C ATOM 309 CD1 LEU A 23 5.080 -1.452 1.729 1.00 0.00 C ATOM 310 CD2 LEU A 23 4.608 0.937 1.157 1.00 0.00 C ATOM 0 H LEU A 23 4.577 -1.271 -2.211 1.00 0.00 H new ATOM 0 HA LEU A 23 5.695 1.333 -1.489 1.00 0.00 H new ATOM 0 HB2 LEU A 23 6.374 -1.470 -0.534 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.912 0.033 0.190 1.00 0.00 H new ATOM 0 HG LEU A 23 3.997 -0.766 0.026 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.208 -1.450 2.383 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.218 -2.450 1.312 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.964 -1.172 2.302 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.743 0.907 1.819 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.481 1.276 1.715 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.412 1.627 0.336 1.00 0.00 H new ATOM 322 N GLY A 24 7.374 -1.028 -3.077 1.00 0.00 N ATOM 323 CA GLY A 24 8.548 -1.251 -3.900 1.00 0.00 C ATOM 324 C GLY A 24 9.369 -2.435 -3.430 1.00 0.00 C ATOM 325 O GLY A 24 10.600 -2.382 -3.422 1.00 0.00 O ATOM 0 H GLY A 24 6.761 -1.837 -2.977 1.00 0.00 H new ATOM 0 HA2 GLY A 24 8.239 -1.414 -4.932 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.169 -0.356 -3.891 1.00 0.00 H new ATOM 329 N LEU A 25 8.689 -3.506 -3.036 1.00 0.00 N ATOM 330 CA LEU A 25 9.364 -4.709 -2.561 1.00 0.00 C ATOM 331 C LEU A 25 8.871 -5.942 -3.311 1.00 0.00 C ATOM 332 O LEU A 25 8.071 -5.837 -4.241 1.00 0.00 O ATOM 333 CB LEU A 25 9.134 -4.886 -1.059 1.00 0.00 C ATOM 334 CG LEU A 25 9.427 -3.665 -0.186 1.00 0.00 C ATOM 335 CD1 LEU A 25 9.074 -3.948 1.265 1.00 0.00 C ATOM 336 CD2 LEU A 25 10.888 -3.258 -0.312 1.00 0.00 C ATOM 0 H LEU A 25 7.671 -3.566 -3.036 1.00 0.00 H new ATOM 0 HA LEU A 25 10.432 -4.595 -2.749 1.00 0.00 H new ATOM 0 HB2 LEU A 25 8.096 -5.178 -0.903 1.00 0.00 H new ATOM 0 HB3 LEU A 25 9.754 -5.713 -0.712 1.00 0.00 H new ATOM 0 HG LEU A 25 8.808 -2.838 -0.533 1.00 0.00 H new ATOM 0 HD11 LEU A 25 9.290 -3.067 1.870 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.014 -4.190 1.341 1.00 0.00 H new ATOM 0 HD13 LEU A 25 9.665 -4.790 1.626 1.00 0.00 H new ATOM 0 HD21 LEU A 25 11.079 -2.388 0.316 1.00 0.00 H new ATOM 0 HD22 LEU A 25 11.524 -4.083 0.008 1.00 0.00 H new ATOM 0 HD23 LEU A 25 11.109 -3.012 -1.351 1.00 0.00 H new ATOM 348 N ASP A 26 9.353 -7.110 -2.900 1.00 0.00 N ATOM 349 CA ASP A 26 8.959 -8.364 -3.530 1.00 0.00 C ATOM 350 C ASP A 26 7.973 -9.128 -2.652 1.00 0.00 C ATOM 351 O ASP A 26 7.878 -8.884 -1.449 1.00 0.00 O ATOM 352 CB ASP A 26 10.190 -9.228 -3.808 1.00 0.00 C ATOM 353 CG ASP A 26 11.309 -8.446 -4.467 1.00 0.00 C ATOM 354 OD1 ASP A 26 11.012 -7.443 -5.149 1.00 0.00 O ATOM 355 OD2 ASP A 26 12.483 -8.837 -4.300 1.00 0.00 O ATOM 0 H ASP A 26 10.017 -7.214 -2.133 1.00 0.00 H new ATOM 0 HA ASP A 26 8.469 -8.129 -4.475 1.00 0.00 H new ATOM 0 HB2 ASP A 26 10.551 -9.654 -2.872 1.00 0.00 H new ATOM 0 HB3 ASP A 26 9.907 -10.063 -4.449 1.00 0.00 H new ATOM 360 N LYS A 27 7.240 -10.054 -3.261 1.00 0.00 N ATOM 361 CA LYS A 27 6.262 -10.855 -2.535 1.00 0.00 C ATOM 362 C LYS A 27 6.889 -11.495 -1.301 1.00 0.00 C ATOM 363 O LYS A 27 6.233 -11.661 -0.275 1.00 0.00 O ATOM 364 CB LYS A 27 5.683 -11.940 -3.447 1.00 0.00 C ATOM 365 CG LYS A 27 4.892 -11.389 -4.621 1.00 0.00 C ATOM 366 CD LYS A 27 3.929 -12.424 -5.179 1.00 0.00 C ATOM 367 CE LYS A 27 2.935 -11.797 -6.144 1.00 0.00 C ATOM 368 NZ LYS A 27 3.485 -11.705 -7.525 1.00 0.00 N ATOM 0 H LYS A 27 7.305 -10.268 -4.256 1.00 0.00 H new ATOM 0 HA LYS A 27 5.458 -10.194 -2.210 1.00 0.00 H new ATOM 0 HB2 LYS A 27 6.498 -12.557 -3.826 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.037 -12.591 -2.858 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.336 -10.507 -4.304 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.578 -11.069 -5.405 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.490 -13.206 -5.690 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.391 -12.901 -4.360 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.019 -12.388 -6.157 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.667 -10.801 -5.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.920 -11.031 -8.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.472 -11.379 -7.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 3.448 -12.641 -7.977 1.00 0.00 H new ATOM 382 N ASN A 28 8.165 -11.852 -1.410 1.00 0.00 N ATOM 383 CA ASN A 28 8.882 -12.473 -0.302 1.00 0.00 C ATOM 384 C ASN A 28 9.715 -11.442 0.454 1.00 0.00 C ATOM 385 O ASN A 28 10.783 -11.755 0.978 1.00 0.00 O ATOM 386 CB ASN A 28 9.784 -13.596 -0.816 1.00 0.00 C ATOM 387 CG ASN A 28 10.437 -13.252 -2.141 1.00 0.00 C ATOM 388 OD1 ASN A 28 10.303 -13.986 -3.121 1.00 0.00 O ATOM 389 ND2 ASN A 28 11.149 -12.132 -2.176 1.00 0.00 N ATOM 0 H ASN A 28 8.723 -11.722 -2.254 1.00 0.00 H new ATOM 0 HA ASN A 28 8.146 -12.892 0.384 1.00 0.00 H new ATOM 0 HB2 ASN A 28 10.557 -13.805 -0.076 1.00 0.00 H new ATOM 0 HB3 ASN A 28 9.197 -14.507 -0.929 1.00 0.00 H new ATOM 0 HD21 ASN A 28 11.612 -11.849 -3.040 1.00 0.00 H new ATOM 0 HD22 ASN A 28 11.233 -11.555 -1.339 1.00 0.00 H new ATOM 396 N ALA A 29 9.218 -10.210 0.505 1.00 0.00 N ATOM 397 CA ALA A 29 9.915 -9.133 1.197 1.00 0.00 C ATOM 398 C ALA A 29 9.887 -9.344 2.707 1.00 0.00 C ATOM 399 O ALA A 29 9.081 -10.120 3.222 1.00 0.00 O ATOM 400 CB ALA A 29 9.299 -7.789 0.838 1.00 0.00 C ATOM 0 H ALA A 29 8.335 -9.933 0.075 1.00 0.00 H new ATOM 0 HA ALA A 29 10.956 -9.140 0.874 1.00 0.00 H new ATOM 0 HB1 ALA A 29 9.830 -6.994 1.362 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.376 -7.629 -0.237 1.00 0.00 H new ATOM 0 HB3 ALA A 29 8.249 -7.780 1.132 1.00 0.00 H new ATOM 406 N THR A 30 10.772 -8.648 3.414 1.00 0.00 N ATOM 407 CA THR A 30 10.850 -8.760 4.865 1.00 0.00 C ATOM 408 C THR A 30 10.332 -7.497 5.542 1.00 0.00 C ATOM 409 O THR A 30 10.574 -6.385 5.072 1.00 0.00 O ATOM 410 CB THR A 30 12.295 -9.023 5.331 1.00 0.00 C ATOM 411 OG1 THR A 30 13.165 -8.002 4.832 1.00 0.00 O ATOM 412 CG2 THR A 30 12.777 -10.385 4.855 1.00 0.00 C ATOM 0 H THR A 30 11.445 -8.000 3.005 1.00 0.00 H new ATOM 0 HA THR A 30 10.224 -9.605 5.151 1.00 0.00 H new ATOM 0 HB THR A 30 12.310 -9.010 6.421 1.00 0.00 H new ATOM 0 HG1 THR A 30 14.081 -8.176 5.134 1.00 0.00 H new ATOM 0 HG21 THR A 30 13.799 -10.549 5.196 1.00 0.00 H new ATOM 0 HG22 THR A 30 12.130 -11.162 5.262 1.00 0.00 H new ATOM 0 HG23 THR A 30 12.747 -10.421 3.766 1.00 0.00 H new ATOM 420 N SER A 31 9.619 -7.674 6.650 1.00 0.00 N ATOM 421 CA SER A 31 9.064 -6.548 7.391 1.00 0.00 C ATOM 422 C SER A 31 10.080 -5.415 7.500 1.00 0.00 C ATOM 423 O SER A 31 9.752 -4.249 7.282 1.00 0.00 O ATOM 424 CB SER A 31 8.629 -6.994 8.788 1.00 0.00 C ATOM 425 OG SER A 31 7.799 -6.021 9.399 1.00 0.00 O ATOM 0 H SER A 31 9.412 -8.587 7.054 1.00 0.00 H new ATOM 0 HA SER A 31 8.194 -6.181 6.847 1.00 0.00 H new ATOM 0 HB2 SER A 31 8.095 -7.942 8.721 1.00 0.00 H new ATOM 0 HB3 SER A 31 9.509 -7.167 9.408 1.00 0.00 H new ATOM 0 HG SER A 31 7.533 -6.331 10.290 1.00 0.00 H new ATOM 431 N ASP A 32 11.315 -5.768 7.838 1.00 0.00 N ATOM 432 CA ASP A 32 12.382 -4.783 7.975 1.00 0.00 C ATOM 433 C ASP A 32 12.464 -3.896 6.737 1.00 0.00 C ATOM 434 O ASP A 32 12.681 -2.688 6.840 1.00 0.00 O ATOM 435 CB ASP A 32 13.723 -5.481 8.209 1.00 0.00 C ATOM 436 CG ASP A 32 13.730 -6.311 9.477 1.00 0.00 C ATOM 437 OD1 ASP A 32 13.672 -5.718 10.574 1.00 0.00 O ATOM 438 OD2 ASP A 32 13.796 -7.554 9.372 1.00 0.00 O ATOM 0 H ASP A 32 11.602 -6.729 8.022 1.00 0.00 H new ATOM 0 HA ASP A 32 12.155 -4.154 8.836 1.00 0.00 H new ATOM 0 HB2 ASP A 32 13.949 -6.122 7.357 1.00 0.00 H new ATOM 0 HB3 ASP A 32 14.514 -4.733 8.263 1.00 0.00 H new ATOM 443 N ASP A 33 12.292 -4.503 5.568 1.00 0.00 N ATOM 444 CA ASP A 33 12.347 -3.768 4.310 1.00 0.00 C ATOM 445 C ASP A 33 11.087 -2.931 4.114 1.00 0.00 C ATOM 446 O ASP A 33 11.136 -1.842 3.540 1.00 0.00 O ATOM 447 CB ASP A 33 12.519 -4.735 3.137 1.00 0.00 C ATOM 448 CG ASP A 33 13.977 -5.011 2.824 1.00 0.00 C ATOM 449 OD1 ASP A 33 14.748 -5.275 3.770 1.00 0.00 O ATOM 450 OD2 ASP A 33 14.346 -4.963 1.632 1.00 0.00 O ATOM 0 H ASP A 33 12.113 -5.502 5.465 1.00 0.00 H new ATOM 0 HA ASP A 33 13.205 -3.097 4.347 1.00 0.00 H new ATOM 0 HB2 ASP A 33 12.016 -5.674 3.367 1.00 0.00 H new ATOM 0 HB3 ASP A 33 12.033 -4.321 2.254 1.00 0.00 H new ATOM 455 N ILE A 34 9.960 -3.446 4.593 1.00 0.00 N ATOM 456 CA ILE A 34 8.687 -2.746 4.470 1.00 0.00 C ATOM 457 C ILE A 34 8.719 -1.413 5.211 1.00 0.00 C ATOM 458 O ILE A 34 8.213 -0.404 4.720 1.00 0.00 O ATOM 459 CB ILE A 34 7.523 -3.594 5.014 1.00 0.00 C ATOM 460 CG1 ILE A 34 7.419 -4.911 4.241 1.00 0.00 C ATOM 461 CG2 ILE A 34 6.217 -2.819 4.928 1.00 0.00 C ATOM 462 CD1 ILE A 34 6.316 -5.819 4.740 1.00 0.00 C ATOM 0 H ILE A 34 9.902 -4.346 5.070 1.00 0.00 H new ATOM 0 HA ILE A 34 8.528 -2.565 3.407 1.00 0.00 H new ATOM 0 HB ILE A 34 7.718 -3.823 6.062 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.249 -4.692 3.187 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.371 -5.438 4.308 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.404 -3.432 5.316 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.296 -1.906 5.518 1.00 0.00 H new ATOM 0 HG23 ILE A 34 6.014 -2.563 3.888 1.00 0.00 H new ATOM 0 HD11 ILE A 34 6.301 -6.733 4.146 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.495 -6.068 5.786 1.00 0.00 H new ATOM 0 HD13 ILE A 34 5.356 -5.310 4.648 1.00 0.00 H new ATOM 474 N LYS A 35 9.320 -1.416 6.397 1.00 0.00 N ATOM 475 CA LYS A 35 9.422 -0.208 7.206 1.00 0.00 C ATOM 476 C LYS A 35 10.387 0.790 6.574 1.00 0.00 C ATOM 477 O LYS A 35 10.062 1.966 6.410 1.00 0.00 O ATOM 478 CB LYS A 35 9.886 -0.555 8.622 1.00 0.00 C ATOM 479 CG LYS A 35 8.995 -1.568 9.322 1.00 0.00 C ATOM 480 CD LYS A 35 9.320 -1.666 10.803 1.00 0.00 C ATOM 481 CE LYS A 35 8.299 -2.517 11.543 1.00 0.00 C ATOM 482 NZ LYS A 35 8.489 -2.454 13.019 1.00 0.00 N ATOM 0 H LYS A 35 9.744 -2.243 6.819 1.00 0.00 H new ATOM 0 HA LYS A 35 8.434 0.250 7.256 1.00 0.00 H new ATOM 0 HB2 LYS A 35 10.902 -0.947 8.577 1.00 0.00 H new ATOM 0 HB3 LYS A 35 9.923 0.357 9.217 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.950 -1.284 9.196 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.118 -2.546 8.856 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.314 -2.095 10.931 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.346 -0.667 11.238 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.294 -2.179 11.292 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.380 -3.552 11.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.774 -3.047 13.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.439 -2.801 13.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.387 -1.470 13.340 1.00 0.00 H new ATOM 496 N LYS A 36 11.576 0.313 6.220 1.00 0.00 N ATOM 497 CA LYS A 36 12.589 1.162 5.604 1.00 0.00 C ATOM 498 C LYS A 36 12.018 1.901 4.397 1.00 0.00 C ATOM 499 O LYS A 36 11.968 3.131 4.378 1.00 0.00 O ATOM 500 CB LYS A 36 13.796 0.324 5.178 1.00 0.00 C ATOM 501 CG LYS A 36 14.482 -0.386 6.332 1.00 0.00 C ATOM 502 CD LYS A 36 15.535 0.495 6.982 1.00 0.00 C ATOM 503 CE LYS A 36 16.864 0.410 6.247 1.00 0.00 C ATOM 504 NZ LYS A 36 17.996 0.883 7.091 1.00 0.00 N ATOM 0 H LYS A 36 11.862 -0.658 6.349 1.00 0.00 H new ATOM 0 HA LYS A 36 12.908 1.898 6.342 1.00 0.00 H new ATOM 0 HB2 LYS A 36 13.473 -0.417 4.447 1.00 0.00 H new ATOM 0 HB3 LYS A 36 14.518 0.970 4.679 1.00 0.00 H new ATOM 0 HG2 LYS A 36 13.739 -0.675 7.075 1.00 0.00 H new ATOM 0 HG3 LYS A 36 14.946 -1.304 5.971 1.00 0.00 H new ATOM 0 HD2 LYS A 36 15.190 1.529 6.993 1.00 0.00 H new ATOM 0 HD3 LYS A 36 15.672 0.194 8.020 1.00 0.00 H new ATOM 0 HE2 LYS A 36 17.045 -0.621 5.941 1.00 0.00 H new ATOM 0 HE3 LYS A 36 16.815 1.008 5.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 18.884 0.809 6.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 17.837 1.874 7.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 18.059 0.296 7.947 1.00 0.00 H new ATOM 518 N SER A 37 11.588 1.143 3.394 1.00 0.00 N ATOM 519 CA SER A 37 11.023 1.726 2.183 1.00 0.00 C ATOM 520 C SER A 37 9.929 2.733 2.524 1.00 0.00 C ATOM 521 O SER A 37 9.836 3.797 1.912 1.00 0.00 O ATOM 522 CB SER A 37 10.459 0.629 1.278 1.00 0.00 C ATOM 523 OG SER A 37 11.496 -0.173 0.741 1.00 0.00 O ATOM 0 H SER A 37 11.620 0.124 3.396 1.00 0.00 H new ATOM 0 HA SER A 37 11.821 2.248 1.654 1.00 0.00 H new ATOM 0 HB2 SER A 37 9.769 0.004 1.845 1.00 0.00 H new ATOM 0 HB3 SER A 37 9.887 1.080 0.467 1.00 0.00 H new ATOM 0 HG SER A 37 11.380 -0.252 -0.229 1.00 0.00 H new ATOM 529 N TYR A 38 9.103 2.389 3.506 1.00 0.00 N ATOM 530 CA TYR A 38 8.012 3.260 3.928 1.00 0.00 C ATOM 531 C TYR A 38 8.537 4.637 4.323 1.00 0.00 C ATOM 532 O TYR A 38 7.968 5.662 3.947 1.00 0.00 O ATOM 533 CB TYR A 38 7.257 2.634 5.101 1.00 0.00 C ATOM 534 CG TYR A 38 6.440 3.628 5.895 1.00 0.00 C ATOM 535 CD1 TYR A 38 5.569 4.506 5.260 1.00 0.00 C ATOM 536 CD2 TYR A 38 6.539 3.691 7.279 1.00 0.00 C ATOM 537 CE1 TYR A 38 4.821 5.417 5.981 1.00 0.00 C ATOM 538 CE2 TYR A 38 5.794 4.598 8.008 1.00 0.00 C ATOM 539 CZ TYR A 38 4.937 5.458 7.354 1.00 0.00 C ATOM 540 OH TYR A 38 4.194 6.364 8.077 1.00 0.00 O ATOM 0 H TYR A 38 9.168 1.513 4.025 1.00 0.00 H new ATOM 0 HA TYR A 38 7.329 3.379 3.087 1.00 0.00 H new ATOM 0 HB2 TYR A 38 6.597 1.854 4.722 1.00 0.00 H new ATOM 0 HB3 TYR A 38 7.972 2.151 5.766 1.00 0.00 H new ATOM 0 HD1 TYR A 38 5.475 4.475 4.184 1.00 0.00 H new ATOM 0 HD2 TYR A 38 7.210 3.019 7.794 1.00 0.00 H new ATOM 0 HE1 TYR A 38 4.150 6.093 5.472 1.00 0.00 H new ATOM 0 HE2 TYR A 38 5.882 4.633 9.084 1.00 0.00 H new ATOM 0 HH TYR A 38 4.392 6.262 9.031 1.00 0.00 H new ATOM 550 N ARG A 39 9.627 4.652 5.083 1.00 0.00 N ATOM 551 CA ARG A 39 10.230 5.902 5.530 1.00 0.00 C ATOM 552 C ARG A 39 10.610 6.778 4.340 1.00 0.00 C ATOM 553 O ARG A 39 10.010 7.829 4.113 1.00 0.00 O ATOM 554 CB ARG A 39 11.467 5.619 6.384 1.00 0.00 C ATOM 555 CG ARG A 39 11.179 4.767 7.609 1.00 0.00 C ATOM 556 CD ARG A 39 12.338 4.798 8.594 1.00 0.00 C ATOM 557 NE ARG A 39 12.269 5.954 9.484 1.00 0.00 N ATOM 558 CZ ARG A 39 13.126 6.171 10.475 1.00 0.00 C ATOM 559 NH1 ARG A 39 14.112 5.315 10.702 1.00 0.00 N ATOM 560 NH2 ARG A 39 12.997 7.247 11.241 1.00 0.00 N ATOM 0 H ARG A 39 10.111 3.813 5.402 1.00 0.00 H new ATOM 0 HA ARG A 39 9.495 6.436 6.132 1.00 0.00 H new ATOM 0 HB2 ARG A 39 12.215 5.117 5.770 1.00 0.00 H new ATOM 0 HB3 ARG A 39 11.901 6.566 6.704 1.00 0.00 H new ATOM 0 HG2 ARG A 39 10.274 5.126 8.099 1.00 0.00 H new ATOM 0 HG3 ARG A 39 10.988 3.739 7.302 1.00 0.00 H new ATOM 0 HD2 ARG A 39 12.334 3.883 9.187 1.00 0.00 H new ATOM 0 HD3 ARG A 39 13.280 4.819 8.045 1.00 0.00 H new ATOM 0 HE ARG A 39 11.521 6.632 9.336 1.00 0.00 H new ATOM 0 HH11 ARG A 39 14.214 4.487 10.115 1.00 0.00 H new ATOM 0 HH12 ARG A 39 14.769 5.484 11.464 1.00 0.00 H new ATOM 0 HH21 ARG A 39 12.239 7.908 11.069 1.00 0.00 H new ATOM 0 HH22 ARG A 39 13.655 7.413 12.002 1.00 0.00 H new ATOM 574 N LYS A 40 11.610 6.339 3.584 1.00 0.00 N ATOM 575 CA LYS A 40 12.071 7.082 2.417 1.00 0.00 C ATOM 576 C LYS A 40 10.895 7.498 1.538 1.00 0.00 C ATOM 577 O LYS A 40 10.821 8.640 1.082 1.00 0.00 O ATOM 578 CB LYS A 40 13.054 6.237 1.604 1.00 0.00 C ATOM 579 CG LYS A 40 12.577 4.816 1.358 1.00 0.00 C ATOM 580 CD LYS A 40 13.615 4.001 0.605 1.00 0.00 C ATOM 581 CE LYS A 40 13.431 4.120 -0.900 1.00 0.00 C ATOM 582 NZ LYS A 40 14.718 3.952 -1.631 1.00 0.00 N ATOM 0 H LYS A 40 12.117 5.472 3.759 1.00 0.00 H new ATOM 0 HA LYS A 40 12.577 7.981 2.767 1.00 0.00 H new ATOM 0 HB2 LYS A 40 13.231 6.723 0.645 1.00 0.00 H new ATOM 0 HB3 LYS A 40 14.010 6.205 2.126 1.00 0.00 H new ATOM 0 HG2 LYS A 40 12.357 4.335 2.311 1.00 0.00 H new ATOM 0 HG3 LYS A 40 11.647 4.837 0.790 1.00 0.00 H new ATOM 0 HD2 LYS A 40 14.614 4.340 0.879 1.00 0.00 H new ATOM 0 HD3 LYS A 40 13.542 2.954 0.900 1.00 0.00 H new ATOM 0 HE2 LYS A 40 12.719 3.367 -1.240 1.00 0.00 H new ATOM 0 HE3 LYS A 40 13.003 5.094 -1.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 14.550 4.040 -2.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 15.389 4.686 -1.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 15.114 3.013 -1.425 1.00 0.00 H new ATOM 596 N LEU A 41 9.978 6.566 1.305 1.00 0.00 N ATOM 597 CA LEU A 41 8.804 6.837 0.482 1.00 0.00 C ATOM 598 C LEU A 41 7.881 7.842 1.163 1.00 0.00 C ATOM 599 O LEU A 41 7.235 8.654 0.502 1.00 0.00 O ATOM 600 CB LEU A 41 8.044 5.539 0.200 1.00 0.00 C ATOM 601 CG LEU A 41 8.766 4.516 -0.678 1.00 0.00 C ATOM 602 CD1 LEU A 41 8.031 3.185 -0.661 1.00 0.00 C ATOM 603 CD2 LEU A 41 8.900 5.036 -2.102 1.00 0.00 C ATOM 0 H LEU A 41 10.024 5.616 1.674 1.00 0.00 H new ATOM 0 HA LEU A 41 9.143 7.265 -0.461 1.00 0.00 H new ATOM 0 HB2 LEU A 41 7.806 5.066 1.153 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.097 5.792 -0.276 1.00 0.00 H new ATOM 0 HG LEU A 41 9.766 4.360 -0.274 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.559 2.470 -1.291 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.988 2.806 0.360 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.018 3.324 -1.040 1.00 0.00 H new ATOM 0 HD21 LEU A 41 9.416 4.295 -2.713 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.909 5.221 -2.516 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.471 5.964 -2.098 1.00 0.00 H new ATOM 615 N ALA A 42 7.826 7.782 2.490 1.00 0.00 N ATOM 616 CA ALA A 42 6.986 8.690 3.261 1.00 0.00 C ATOM 617 C ALA A 42 7.578 10.095 3.290 1.00 0.00 C ATOM 618 O ALA A 42 6.849 11.085 3.376 1.00 0.00 O ATOM 619 CB ALA A 42 6.802 8.164 4.677 1.00 0.00 C ATOM 0 H ALA A 42 8.353 7.114 3.053 1.00 0.00 H new ATOM 0 HA ALA A 42 6.012 8.745 2.775 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.173 8.852 5.242 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.327 7.183 4.642 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.774 8.079 5.163 1.00 0.00 H new ATOM 625 N LEU A 43 8.901 10.176 3.217 1.00 0.00 N ATOM 626 CA LEU A 43 9.592 11.461 3.235 1.00 0.00 C ATOM 627 C LEU A 43 9.641 12.072 1.838 1.00 0.00 C ATOM 628 O LEU A 43 9.801 13.283 1.683 1.00 0.00 O ATOM 629 CB LEU A 43 11.010 11.293 3.781 1.00 0.00 C ATOM 630 CG LEU A 43 11.135 11.168 5.300 1.00 0.00 C ATOM 631 CD1 LEU A 43 12.560 11.458 5.745 1.00 0.00 C ATOM 632 CD2 LEU A 43 10.157 12.105 5.994 1.00 0.00 C ATOM 0 H LEU A 43 9.518 9.367 3.145 1.00 0.00 H new ATOM 0 HA LEU A 43 9.037 12.135 3.887 1.00 0.00 H new ATOM 0 HB2 LEU A 43 11.450 10.405 3.326 1.00 0.00 H new ATOM 0 HB3 LEU A 43 11.606 12.146 3.457 1.00 0.00 H new ATOM 0 HG LEU A 43 10.890 10.144 5.582 1.00 0.00 H new ATOM 0 HD11 LEU A 43 12.629 11.364 6.829 1.00 0.00 H new ATOM 0 HD12 LEU A 43 13.240 10.747 5.275 1.00 0.00 H new ATOM 0 HD13 LEU A 43 12.834 12.471 5.450 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.260 12.003 7.074 1.00 0.00 H new ATOM 0 HD22 LEU A 43 10.371 13.134 5.705 1.00 0.00 H new ATOM 0 HD23 LEU A 43 9.139 11.850 5.701 1.00 0.00 H new ATOM 644 N LYS A 44 9.501 11.227 0.823 1.00 0.00 N ATOM 645 CA LYS A 44 9.526 11.682 -0.562 1.00 0.00 C ATOM 646 C LYS A 44 8.153 12.189 -0.993 1.00 0.00 C ATOM 647 O LYS A 44 8.031 13.279 -1.553 1.00 0.00 O ATOM 648 CB LYS A 44 9.976 10.548 -1.486 1.00 0.00 C ATOM 649 CG LYS A 44 9.653 10.791 -2.950 1.00 0.00 C ATOM 650 CD LYS A 44 10.099 9.629 -3.820 1.00 0.00 C ATOM 651 CE LYS A 44 9.289 9.551 -5.105 1.00 0.00 C ATOM 652 NZ LYS A 44 9.650 10.638 -6.056 1.00 0.00 N ATOM 0 H LYS A 44 9.369 10.222 0.934 1.00 0.00 H new ATOM 0 HA LYS A 44 10.237 12.505 -0.635 1.00 0.00 H new ATOM 0 HB2 LYS A 44 11.052 10.408 -1.378 1.00 0.00 H new ATOM 0 HB3 LYS A 44 9.501 9.620 -1.167 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.580 10.943 -3.066 1.00 0.00 H new ATOM 0 HG3 LYS A 44 10.142 11.706 -3.284 1.00 0.00 H new ATOM 0 HD2 LYS A 44 11.156 9.739 -4.061 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.994 8.697 -3.265 1.00 0.00 H new ATOM 0 HE2 LYS A 44 9.454 8.584 -5.580 1.00 0.00 H new ATOM 0 HE3 LYS A 44 8.227 9.613 -4.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 9.076 10.549 -6.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 9.469 11.561 -5.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 10.658 10.564 -6.302 1.00 0.00 H new ATOM 666 N TYR A 45 7.124 11.393 -0.728 1.00 0.00 N ATOM 667 CA TYR A 45 5.760 11.761 -1.089 1.00 0.00 C ATOM 668 C TYR A 45 5.099 12.566 0.026 1.00 0.00 C ATOM 669 O TYR A 45 3.885 12.500 0.220 1.00 0.00 O ATOM 670 CB TYR A 45 4.933 10.509 -1.387 1.00 0.00 C ATOM 671 CG TYR A 45 5.363 9.784 -2.642 1.00 0.00 C ATOM 672 CD1 TYR A 45 6.365 8.822 -2.604 1.00 0.00 C ATOM 673 CD2 TYR A 45 4.769 10.062 -3.867 1.00 0.00 C ATOM 674 CE1 TYR A 45 6.762 8.157 -3.749 1.00 0.00 C ATOM 675 CE2 TYR A 45 5.158 9.402 -5.016 1.00 0.00 C ATOM 676 CZ TYR A 45 6.155 8.451 -4.952 1.00 0.00 C ATOM 677 OH TYR A 45 6.547 7.792 -6.095 1.00 0.00 O ATOM 0 H TYR A 45 7.208 10.488 -0.264 1.00 0.00 H new ATOM 0 HA TYR A 45 5.804 12.382 -1.984 1.00 0.00 H new ATOM 0 HB2 TYR A 45 5.005 9.826 -0.540 1.00 0.00 H new ATOM 0 HB3 TYR A 45 3.884 10.790 -1.481 1.00 0.00 H new ATOM 0 HD1 TYR A 45 6.842 8.590 -1.663 1.00 0.00 H new ATOM 0 HD2 TYR A 45 3.989 10.807 -3.922 1.00 0.00 H new ATOM 0 HE1 TYR A 45 7.542 7.412 -3.702 1.00 0.00 H new ATOM 0 HE2 TYR A 45 4.684 9.629 -5.960 1.00 0.00 H new ATOM 0 HH TYR A 45 6.020 8.115 -6.856 1.00 0.00 H new ATOM 687 N HIS A 46 5.908 13.328 0.756 1.00 0.00 N ATOM 688 CA HIS A 46 5.404 14.148 1.851 1.00 0.00 C ATOM 689 C HIS A 46 4.524 15.278 1.323 1.00 0.00 C ATOM 690 O HIS A 46 4.809 15.890 0.294 1.00 0.00 O ATOM 691 CB HIS A 46 6.565 14.726 2.660 1.00 0.00 C ATOM 692 CG HIS A 46 6.236 14.951 4.104 1.00 0.00 C ATOM 693 ND1 HIS A 46 5.727 16.139 4.584 1.00 0.00 N ATOM 694 CD2 HIS A 46 6.344 14.130 5.175 1.00 0.00 C ATOM 695 CE1 HIS A 46 5.538 16.040 5.888 1.00 0.00 C ATOM 696 NE2 HIS A 46 5.904 14.831 6.271 1.00 0.00 N ATOM 0 H HIS A 46 6.915 13.394 0.609 1.00 0.00 H new ATOM 0 HA HIS A 46 4.800 13.513 2.499 1.00 0.00 H new ATOM 0 HB2 HIS A 46 7.417 14.050 2.591 1.00 0.00 H new ATOM 0 HB3 HIS A 46 6.872 15.672 2.214 1.00 0.00 H new ATOM 0 HD2 HIS A 46 6.708 13.113 5.169 1.00 0.00 H new ATOM 0 HE1 HIS A 46 5.150 16.816 6.531 1.00 0.00 H new ATOM 0 HE2 HIS A 46 5.866 14.475 7.226 1.00 0.00 H new ATOM 704 N PRO A 47 3.429 15.561 2.044 1.00 0.00 N ATOM 705 CA PRO A 47 2.486 16.618 1.667 1.00 0.00 C ATOM 706 C PRO A 47 3.079 18.013 1.838 1.00 0.00 C ATOM 707 O PRO A 47 2.954 18.863 0.956 1.00 0.00 O ATOM 708 CB PRO A 47 1.317 16.412 2.634 1.00 0.00 C ATOM 709 CG PRO A 47 1.919 15.737 3.817 1.00 0.00 C ATOM 710 CD PRO A 47 3.027 14.873 3.282 1.00 0.00 C ATOM 0 HA PRO A 47 2.204 16.556 0.616 1.00 0.00 H new ATOM 0 HB2 PRO A 47 0.860 17.362 2.910 1.00 0.00 H new ATOM 0 HB3 PRO A 47 0.535 15.800 2.185 1.00 0.00 H new ATOM 0 HG2 PRO A 47 2.303 16.467 4.529 1.00 0.00 H new ATOM 0 HG3 PRO A 47 1.177 15.138 4.344 1.00 0.00 H new ATOM 0 HD2 PRO A 47 3.855 14.799 3.987 1.00 0.00 H new ATOM 0 HD3 PRO A 47 2.685 13.857 3.084 1.00 0.00 H new ATOM 718 N ASP A 48 3.724 18.240 2.976 1.00 0.00 N ATOM 719 CA ASP A 48 4.338 19.532 3.262 1.00 0.00 C ATOM 720 C ASP A 48 5.321 19.921 2.162 1.00 0.00 C ATOM 721 O ASP A 48 5.536 21.104 1.897 1.00 0.00 O ATOM 722 CB ASP A 48 5.055 19.492 4.613 1.00 0.00 C ATOM 723 CG ASP A 48 5.427 20.875 5.111 1.00 0.00 C ATOM 724 OD1 ASP A 48 4.520 21.613 5.548 1.00 0.00 O ATOM 725 OD2 ASP A 48 6.627 21.218 5.065 1.00 0.00 O ATOM 0 H ASP A 48 3.836 17.547 3.716 1.00 0.00 H new ATOM 0 HA ASP A 48 3.548 20.282 3.301 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.414 19.005 5.347 1.00 0.00 H new ATOM 0 HB3 ASP A 48 5.957 18.886 4.525 1.00 0.00 H new ATOM 730 N LYS A 49 5.917 18.918 1.526 1.00 0.00 N ATOM 731 CA LYS A 49 6.877 19.154 0.454 1.00 0.00 C ATOM 732 C LYS A 49 6.164 19.383 -0.875 1.00 0.00 C ATOM 733 O LYS A 49 6.568 20.232 -1.668 1.00 0.00 O ATOM 734 CB LYS A 49 7.838 17.970 0.333 1.00 0.00 C ATOM 735 CG LYS A 49 8.498 17.585 1.646 1.00 0.00 C ATOM 736 CD LYS A 49 9.813 18.320 1.845 1.00 0.00 C ATOM 737 CE LYS A 49 9.612 19.628 2.596 1.00 0.00 C ATOM 738 NZ LYS A 49 9.130 19.400 3.987 1.00 0.00 N ATOM 0 H LYS A 49 5.752 17.933 1.735 1.00 0.00 H new ATOM 0 HA LYS A 49 7.445 20.051 0.700 1.00 0.00 H new ATOM 0 HB2 LYS A 49 7.294 17.110 -0.056 1.00 0.00 H new ATOM 0 HB3 LYS A 49 8.612 18.214 -0.395 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.825 17.811 2.473 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.675 16.510 1.664 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.506 17.685 2.397 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.269 18.522 0.876 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.552 20.180 2.623 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.894 20.248 2.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.224 19.892 4.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.998 18.381 4.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.831 19.768 4.662 1.00 0.00 H new ATOM 752 N ASN A 50 5.102 18.620 -1.110 1.00 0.00 N ATOM 753 CA ASN A 50 4.332 18.740 -2.343 1.00 0.00 C ATOM 754 C ASN A 50 2.910 19.210 -2.053 1.00 0.00 C ATOM 755 O ASN A 50 1.931 18.517 -2.334 1.00 0.00 O ATOM 756 CB ASN A 50 4.298 17.400 -3.080 1.00 0.00 C ATOM 757 CG ASN A 50 5.676 16.783 -3.222 1.00 0.00 C ATOM 758 OD1 ASN A 50 6.365 16.998 -4.219 1.00 0.00 O ATOM 759 ND2 ASN A 50 6.085 16.012 -2.221 1.00 0.00 N ATOM 0 H ASN A 50 4.755 17.912 -0.463 1.00 0.00 H new ATOM 0 HA ASN A 50 4.819 19.482 -2.975 1.00 0.00 H new ATOM 0 HB2 ASN A 50 3.647 16.710 -2.543 1.00 0.00 H new ATOM 0 HB3 ASN A 50 3.863 17.543 -4.069 1.00 0.00 H new ATOM 0 HD21 ASN A 50 7.004 15.571 -2.260 1.00 0.00 H new ATOM 0 HD22 ASN A 50 5.480 15.861 -1.413 1.00 0.00 H new ATOM 766 N PRO A 51 2.790 20.415 -1.476 1.00 0.00 N ATOM 767 CA PRO A 51 1.492 21.005 -1.137 1.00 0.00 C ATOM 768 C PRO A 51 0.697 21.409 -2.374 1.00 0.00 C ATOM 769 O PRO A 51 -0.440 21.868 -2.269 1.00 0.00 O ATOM 770 CB PRO A 51 1.868 22.241 -0.315 1.00 0.00 C ATOM 771 CG PRO A 51 3.241 22.596 -0.773 1.00 0.00 C ATOM 772 CD PRO A 51 3.913 21.295 -1.113 1.00 0.00 C ATOM 0 HA PRO A 51 0.851 20.301 -0.606 1.00 0.00 H new ATOM 0 HB2 PRO A 51 1.169 23.059 -0.488 1.00 0.00 H new ATOM 0 HB3 PRO A 51 1.850 22.027 0.754 1.00 0.00 H new ATOM 0 HG2 PRO A 51 3.205 23.255 -1.640 1.00 0.00 H new ATOM 0 HG3 PRO A 51 3.788 23.126 0.007 1.00 0.00 H new ATOM 0 HD2 PRO A 51 4.616 21.410 -1.938 1.00 0.00 H new ATOM 0 HD3 PRO A 51 4.476 20.900 -0.267 1.00 0.00 H new ATOM 780 N ASP A 52 1.302 21.234 -3.543 1.00 0.00 N ATOM 781 CA ASP A 52 0.650 21.579 -4.801 1.00 0.00 C ATOM 782 C ASP A 52 0.785 20.445 -5.812 1.00 0.00 C ATOM 783 O ASP A 52 0.978 20.683 -7.004 1.00 0.00 O ATOM 784 CB ASP A 52 1.248 22.865 -5.374 1.00 0.00 C ATOM 785 CG ASP A 52 0.402 23.450 -6.488 1.00 0.00 C ATOM 786 OD1 ASP A 52 -0.811 23.651 -6.269 1.00 0.00 O ATOM 787 OD2 ASP A 52 0.954 23.708 -7.578 1.00 0.00 O ATOM 0 H ASP A 52 2.243 20.855 -3.646 1.00 0.00 H new ATOM 0 HA ASP A 52 -0.410 21.738 -4.601 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.353 23.601 -4.576 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.250 22.660 -5.752 1.00 0.00 H new ATOM 792 N ASN A 53 0.684 19.212 -5.327 1.00 0.00 N ATOM 793 CA ASN A 53 0.796 18.040 -6.189 1.00 0.00 C ATOM 794 C ASN A 53 -0.280 17.012 -5.853 1.00 0.00 C ATOM 795 O ASN A 53 -0.336 16.475 -4.746 1.00 0.00 O ATOM 796 CB ASN A 53 2.183 17.409 -6.048 1.00 0.00 C ATOM 797 CG ASN A 53 2.619 16.683 -7.306 1.00 0.00 C ATOM 798 OD1 ASN A 53 1.944 16.740 -8.334 1.00 0.00 O ATOM 799 ND2 ASN A 53 3.752 15.995 -7.229 1.00 0.00 N ATOM 0 H ASN A 53 0.525 18.998 -4.342 1.00 0.00 H new ATOM 0 HA ASN A 53 0.654 18.363 -7.220 1.00 0.00 H new ATOM 0 HB2 ASN A 53 2.910 18.186 -5.810 1.00 0.00 H new ATOM 0 HB3 ASN A 53 2.178 16.710 -5.212 1.00 0.00 H new ATOM 0 HD21 ASN A 53 4.096 15.485 -8.043 1.00 0.00 H new ATOM 0 HD22 ASN A 53 4.279 15.976 -6.356 1.00 0.00 H new ATOM 806 N PRO A 54 -1.155 16.731 -6.829 1.00 0.00 N ATOM 807 CA PRO A 54 -2.245 15.765 -6.662 1.00 0.00 C ATOM 808 C PRO A 54 -1.738 14.330 -6.568 1.00 0.00 C ATOM 809 O PRO A 54 -2.277 13.519 -5.816 1.00 0.00 O ATOM 810 CB PRO A 54 -3.084 15.954 -7.927 1.00 0.00 C ATOM 811 CG PRO A 54 -2.131 16.491 -8.938 1.00 0.00 C ATOM 812 CD PRO A 54 -1.148 17.334 -8.173 1.00 0.00 C ATOM 0 HA PRO A 54 -2.799 15.932 -5.738 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -3.521 15.011 -8.257 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -3.909 16.645 -7.755 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -1.625 15.682 -9.465 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -2.652 17.084 -9.689 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -0.156 17.302 -8.623 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -1.452 18.380 -8.146 1.00 0.00 H new ATOM 820 N GLU A 55 -0.698 14.023 -7.338 1.00 0.00 N ATOM 821 CA GLU A 55 -0.119 12.684 -7.341 1.00 0.00 C ATOM 822 C GLU A 55 0.433 12.327 -5.964 1.00 0.00 C ATOM 823 O GLU A 55 0.354 11.178 -5.530 1.00 0.00 O ATOM 824 CB GLU A 55 0.992 12.587 -8.388 1.00 0.00 C ATOM 825 CG GLU A 55 2.193 13.467 -8.086 1.00 0.00 C ATOM 826 CD GLU A 55 3.411 13.095 -8.909 1.00 0.00 C ATOM 827 OE1 GLU A 55 3.405 13.362 -10.129 1.00 0.00 O ATOM 828 OE2 GLU A 55 4.369 12.538 -8.334 1.00 0.00 O ATOM 0 H GLU A 55 -0.240 14.682 -7.967 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.908 11.975 -7.592 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.321 11.550 -8.461 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.587 12.862 -9.362 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.933 14.508 -8.278 1.00 0.00 H new ATOM 0 HG3 GLU A 55 2.438 13.390 -7.027 1.00 0.00 H new ATOM 835 N ALA A 56 0.993 13.321 -5.281 1.00 0.00 N ATOM 836 CA ALA A 56 1.557 13.113 -3.953 1.00 0.00 C ATOM 837 C ALA A 56 0.501 12.595 -2.983 1.00 0.00 C ATOM 838 O ALA A 56 0.770 11.710 -2.172 1.00 0.00 O ATOM 839 CB ALA A 56 2.168 14.404 -3.431 1.00 0.00 C ATOM 0 H ALA A 56 1.068 14.278 -5.626 1.00 0.00 H new ATOM 0 HA ALA A 56 2.341 12.359 -4.032 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.585 14.234 -2.439 1.00 0.00 H new ATOM 0 HB2 ALA A 56 2.959 14.731 -4.106 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.398 15.174 -3.374 1.00 0.00 H new ATOM 845 N ALA A 57 -0.702 13.153 -3.072 1.00 0.00 N ATOM 846 CA ALA A 57 -1.799 12.746 -2.203 1.00 0.00 C ATOM 847 C ALA A 57 -2.238 11.318 -2.505 1.00 0.00 C ATOM 848 O ALA A 57 -2.252 10.462 -1.620 1.00 0.00 O ATOM 849 CB ALA A 57 -2.972 13.704 -2.350 1.00 0.00 C ATOM 0 H ALA A 57 -0.941 13.888 -3.737 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.445 12.778 -1.173 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -3.784 13.388 -1.695 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.656 14.711 -2.076 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.317 13.701 -3.384 1.00 0.00 H new ATOM 855 N ASP A 58 -2.597 11.067 -3.759 1.00 0.00 N ATOM 856 CA ASP A 58 -3.037 9.741 -4.178 1.00 0.00 C ATOM 857 C ASP A 58 -1.995 8.685 -3.823 1.00 0.00 C ATOM 858 O ASP A 58 -2.331 7.533 -3.550 1.00 0.00 O ATOM 859 CB ASP A 58 -3.307 9.722 -5.684 1.00 0.00 C ATOM 860 CG ASP A 58 -4.272 8.623 -6.085 1.00 0.00 C ATOM 861 OD1 ASP A 58 -5.377 8.563 -5.506 1.00 0.00 O ATOM 862 OD2 ASP A 58 -3.921 7.824 -6.978 1.00 0.00 O ATOM 0 H ASP A 58 -2.592 11.764 -4.503 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.960 9.508 -3.648 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.712 10.687 -5.990 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.366 9.588 -6.217 1.00 0.00 H new ATOM 867 N LYS A 59 -0.728 9.086 -3.830 1.00 0.00 N ATOM 868 CA LYS A 59 0.365 8.176 -3.508 1.00 0.00 C ATOM 869 C LYS A 59 0.499 7.999 -1.999 1.00 0.00 C ATOM 870 O LYS A 59 0.300 6.904 -1.472 1.00 0.00 O ATOM 871 CB LYS A 59 1.680 8.699 -4.090 1.00 0.00 C ATOM 872 CG LYS A 59 1.789 8.529 -5.596 1.00 0.00 C ATOM 873 CD LYS A 59 1.962 7.070 -5.981 1.00 0.00 C ATOM 874 CE LYS A 59 2.016 6.895 -7.491 1.00 0.00 C ATOM 875 NZ LYS A 59 2.152 5.464 -7.879 1.00 0.00 N ATOM 0 H LYS A 59 -0.433 10.036 -4.055 1.00 0.00 H new ATOM 0 HA LYS A 59 0.139 7.206 -3.951 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.782 9.756 -3.844 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.511 8.179 -3.613 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.895 8.929 -6.074 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.635 9.107 -5.968 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.878 6.681 -5.536 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.137 6.485 -5.575 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.111 7.308 -7.937 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.856 7.462 -7.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.185 5.387 -8.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.028 5.076 -7.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.337 4.928 -7.518 1.00 0.00 H new ATOM 889 N PHE A 60 0.837 9.083 -1.308 1.00 0.00 N ATOM 890 CA PHE A 60 0.997 9.047 0.140 1.00 0.00 C ATOM 891 C PHE A 60 -0.069 8.165 0.784 1.00 0.00 C ATOM 892 O PHE A 60 0.244 7.168 1.435 1.00 0.00 O ATOM 893 CB PHE A 60 0.921 10.462 0.718 1.00 0.00 C ATOM 894 CG PHE A 60 1.283 10.535 2.174 1.00 0.00 C ATOM 895 CD1 PHE A 60 2.530 10.121 2.613 1.00 0.00 C ATOM 896 CD2 PHE A 60 0.376 11.017 3.104 1.00 0.00 C ATOM 897 CE1 PHE A 60 2.865 10.186 3.953 1.00 0.00 C ATOM 898 CE2 PHE A 60 0.705 11.086 4.445 1.00 0.00 C ATOM 899 CZ PHE A 60 1.952 10.670 4.869 1.00 0.00 C ATOM 0 H PHE A 60 1.005 9.997 -1.728 1.00 0.00 H new ATOM 0 HA PHE A 60 1.976 8.623 0.361 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.588 11.113 0.153 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.090 10.847 0.583 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.249 9.743 1.901 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.600 11.343 2.777 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.840 9.859 4.283 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.011 11.464 5.159 1.00 0.00 H new ATOM 0 HZ PHE A 60 2.213 10.723 5.916 1.00 0.00 H new ATOM 909 N LYS A 61 -1.330 8.539 0.597 1.00 0.00 N ATOM 910 CA LYS A 61 -2.444 7.783 1.157 1.00 0.00 C ATOM 911 C LYS A 61 -2.244 6.285 0.950 1.00 0.00 C ATOM 912 O LYS A 61 -2.517 5.485 1.843 1.00 0.00 O ATOM 913 CB LYS A 61 -3.761 8.226 0.517 1.00 0.00 C ATOM 914 CG LYS A 61 -3.996 7.636 -0.863 1.00 0.00 C ATOM 915 CD LYS A 61 -5.054 8.412 -1.629 1.00 0.00 C ATOM 916 CE LYS A 61 -6.431 8.238 -1.008 1.00 0.00 C ATOM 917 NZ LYS A 61 -7.052 6.939 -1.389 1.00 0.00 N ATOM 0 H LYS A 61 -1.606 9.362 0.061 1.00 0.00 H new ATOM 0 HA LYS A 61 -2.483 7.982 2.228 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -4.586 7.941 1.170 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -3.772 9.314 0.445 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.062 7.640 -1.425 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.305 6.595 -0.767 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -4.791 9.470 -1.644 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -5.076 8.074 -2.665 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.350 8.297 0.077 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.078 9.056 -1.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -7.989 6.859 -0.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.153 6.893 -2.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -6.448 6.157 -1.065 1.00 0.00 H new ATOM 931 N GLU A 62 -1.765 5.915 -0.234 1.00 0.00 N ATOM 932 CA GLU A 62 -1.529 4.513 -0.556 1.00 0.00 C ATOM 933 C GLU A 62 -0.353 3.961 0.244 1.00 0.00 C ATOM 934 O GLU A 62 -0.442 2.885 0.837 1.00 0.00 O ATOM 935 CB GLU A 62 -1.262 4.349 -2.054 1.00 0.00 C ATOM 936 CG GLU A 62 -2.515 4.073 -2.869 1.00 0.00 C ATOM 937 CD GLU A 62 -3.713 4.865 -2.382 1.00 0.00 C ATOM 938 OE1 GLU A 62 -4.286 4.492 -1.337 1.00 0.00 O ATOM 939 OE2 GLU A 62 -4.078 5.857 -3.047 1.00 0.00 O ATOM 0 H GLU A 62 -1.533 6.566 -0.985 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.424 3.950 -0.289 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -0.786 5.254 -2.431 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.556 3.532 -2.201 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.325 4.315 -3.915 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.745 3.009 -2.825 1.00 0.00 H new ATOM 946 N ILE A 63 0.748 4.705 0.255 1.00 0.00 N ATOM 947 CA ILE A 63 1.942 4.291 0.983 1.00 0.00 C ATOM 948 C ILE A 63 1.602 3.893 2.415 1.00 0.00 C ATOM 949 O ILE A 63 1.861 2.766 2.835 1.00 0.00 O ATOM 950 CB ILE A 63 3.000 5.409 1.010 1.00 0.00 C ATOM 951 CG1 ILE A 63 3.258 5.932 -0.405 1.00 0.00 C ATOM 952 CG2 ILE A 63 4.291 4.902 1.636 1.00 0.00 C ATOM 953 CD1 ILE A 63 4.378 6.946 -0.479 1.00 0.00 C ATOM 0 H ILE A 63 0.838 5.597 -0.231 1.00 0.00 H new ATOM 0 HA ILE A 63 2.350 3.429 0.456 1.00 0.00 H new ATOM 0 HB ILE A 63 2.622 6.231 1.618 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.496 5.091 -1.057 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.343 6.384 -0.789 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.029 5.704 1.648 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.096 4.573 2.657 1.00 0.00 H new ATOM 0 HG23 ILE A 63 4.674 4.065 1.052 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.505 7.273 -1.511 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.133 7.805 0.146 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.304 6.492 -0.126 1.00 0.00 H new ATOM 965 N ASN A 64 1.019 4.826 3.160 1.00 0.00 N ATOM 966 CA ASN A 64 0.642 4.572 4.546 1.00 0.00 C ATOM 967 C ASN A 64 -0.368 3.432 4.635 1.00 0.00 C ATOM 968 O ASN A 64 -0.283 2.581 5.520 1.00 0.00 O ATOM 969 CB ASN A 64 0.057 5.837 5.177 1.00 0.00 C ATOM 970 CG ASN A 64 0.938 7.052 4.960 1.00 0.00 C ATOM 971 OD1 ASN A 64 1.923 7.254 5.671 1.00 0.00 O ATOM 972 ND2 ASN A 64 0.587 7.868 3.973 1.00 0.00 N ATOM 0 H ASN A 64 0.797 5.765 2.828 1.00 0.00 H new ATOM 0 HA ASN A 64 1.539 4.282 5.093 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -0.930 6.027 4.755 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -0.079 5.677 6.247 1.00 0.00 H new ATOM 0 HD21 ASN A 64 1.142 8.702 3.779 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -0.237 7.661 3.409 1.00 0.00 H new ATOM 979 N ASN A 65 -1.324 3.422 3.711 1.00 0.00 N ATOM 980 CA ASN A 65 -2.351 2.387 3.685 1.00 0.00 C ATOM 981 C ASN A 65 -1.723 1.001 3.569 1.00 0.00 C ATOM 982 O ASN A 65 -1.835 0.180 4.478 1.00 0.00 O ATOM 983 CB ASN A 65 -3.313 2.623 2.519 1.00 0.00 C ATOM 984 CG ASN A 65 -4.466 1.639 2.513 1.00 0.00 C ATOM 985 OD1 ASN A 65 -5.373 1.722 3.342 1.00 0.00 O ATOM 986 ND2 ASN A 65 -4.437 0.699 1.575 1.00 0.00 N ATOM 0 H ASN A 65 -1.409 4.119 2.971 1.00 0.00 H new ATOM 0 HA ASN A 65 -2.907 2.437 4.621 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -3.706 3.638 2.575 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.767 2.544 1.579 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -5.186 0.009 1.522 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -3.666 0.668 0.908 1.00 0.00 H new ATOM 993 N ALA A 66 -1.063 0.749 2.444 1.00 0.00 N ATOM 994 CA ALA A 66 -0.415 -0.535 2.209 1.00 0.00 C ATOM 995 C ALA A 66 0.509 -0.903 3.365 1.00 0.00 C ATOM 996 O ALA A 66 0.284 -1.894 4.061 1.00 0.00 O ATOM 997 CB ALA A 66 0.360 -0.504 0.900 1.00 0.00 C ATOM 0 H ALA A 66 -0.963 1.418 1.680 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.190 -1.298 2.141 1.00 0.00 H new ATOM 0 HB1 ALA A 66 0.839 -1.470 0.738 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -0.324 -0.295 0.077 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.121 0.275 0.946 1.00 0.00 H new ATOM 1003 N HIS A 67 1.550 -0.100 3.564 1.00 0.00 N ATOM 1004 CA HIS A 67 2.508 -0.342 4.636 1.00 0.00 C ATOM 1005 C HIS A 67 1.791 -0.681 5.939 1.00 0.00 C ATOM 1006 O HIS A 67 2.155 -1.633 6.630 1.00 0.00 O ATOM 1007 CB HIS A 67 3.402 0.882 4.835 1.00 0.00 C ATOM 1008 CG HIS A 67 4.001 0.970 6.206 1.00 0.00 C ATOM 1009 ND1 HIS A 67 3.277 1.337 7.321 1.00 0.00 N ATOM 1010 CD2 HIS A 67 5.261 0.733 6.638 1.00 0.00 C ATOM 1011 CE1 HIS A 67 4.067 1.325 8.379 1.00 0.00 C ATOM 1012 NE2 HIS A 67 5.277 0.961 7.992 1.00 0.00 N ATOM 0 H HIS A 67 1.751 0.724 2.997 1.00 0.00 H new ATOM 0 HA HIS A 67 3.128 -1.192 4.351 1.00 0.00 H new ATOM 0 HB2 HIS A 67 4.204 0.859 4.098 1.00 0.00 H new ATOM 0 HB3 HIS A 67 2.819 1.783 4.644 1.00 0.00 H new ATOM 0 HD2 HIS A 67 6.098 0.422 6.031 1.00 0.00 H new ATOM 0 HE1 HIS A 67 3.774 1.571 9.389 1.00 0.00 H new ATOM 0 HE2 HIS A 67 6.090 0.865 8.600 1.00 0.00 H new ATOM 1020 N ALA A 68 0.772 0.104 6.270 1.00 0.00 N ATOM 1021 CA ALA A 68 0.003 -0.113 7.489 1.00 0.00 C ATOM 1022 C ALA A 68 -0.651 -1.491 7.488 1.00 0.00 C ATOM 1023 O ALA A 68 -0.624 -2.202 8.493 1.00 0.00 O ATOM 1024 CB ALA A 68 -1.050 0.973 7.650 1.00 0.00 C ATOM 0 H ALA A 68 0.459 0.897 5.710 1.00 0.00 H new ATOM 0 HA ALA A 68 0.689 -0.066 8.335 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.616 0.798 8.565 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.563 1.947 7.706 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.726 0.954 6.795 1.00 0.00 H new ATOM 1030 N ILE A 69 -1.237 -1.861 6.354 1.00 0.00 N ATOM 1031 CA ILE A 69 -1.897 -3.154 6.223 1.00 0.00 C ATOM 1032 C ILE A 69 -0.899 -4.297 6.361 1.00 0.00 C ATOM 1033 O ILE A 69 -1.129 -5.251 7.106 1.00 0.00 O ATOM 1034 CB ILE A 69 -2.623 -3.281 4.870 1.00 0.00 C ATOM 1035 CG1 ILE A 69 -3.772 -2.273 4.786 1.00 0.00 C ATOM 1036 CG2 ILE A 69 -3.139 -4.699 4.678 1.00 0.00 C ATOM 1037 CD1 ILE A 69 -4.325 -2.103 3.389 1.00 0.00 C ATOM 0 H ILE A 69 -1.268 -1.284 5.513 1.00 0.00 H new ATOM 0 HA ILE A 69 -2.630 -3.217 7.027 1.00 0.00 H new ATOM 0 HB ILE A 69 -1.914 -3.062 4.071 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -4.575 -2.594 5.449 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -3.424 -1.306 5.151 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -3.650 -4.773 3.718 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -2.302 -5.397 4.699 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -3.836 -4.944 5.479 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -5.136 -1.374 3.405 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -3.535 -1.752 2.725 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -4.704 -3.059 3.029 1.00 0.00 H new ATOM 1049 N LEU A 70 0.212 -4.195 5.639 1.00 0.00 N ATOM 1050 CA LEU A 70 1.249 -5.221 5.682 1.00 0.00 C ATOM 1051 C LEU A 70 1.877 -5.303 7.070 1.00 0.00 C ATOM 1052 O LEU A 70 1.855 -6.352 7.713 1.00 0.00 O ATOM 1053 CB LEU A 70 2.328 -4.927 4.638 1.00 0.00 C ATOM 1054 CG LEU A 70 1.886 -5.006 3.176 1.00 0.00 C ATOM 1055 CD1 LEU A 70 3.001 -4.538 2.255 1.00 0.00 C ATOM 1056 CD2 LEU A 70 1.460 -6.424 2.823 1.00 0.00 C ATOM 0 H LEU A 70 0.418 -3.413 5.017 1.00 0.00 H new ATOM 0 HA LEU A 70 0.785 -6.181 5.456 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.723 -3.928 4.824 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.150 -5.627 4.787 1.00 0.00 H new ATOM 0 HG LEU A 70 1.029 -4.346 3.040 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.668 -4.601 1.219 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.258 -3.505 2.491 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.877 -5.171 2.394 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.149 -6.461 1.779 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.298 -7.104 2.976 1.00 0.00 H new ATOM 0 HD23 LEU A 70 0.628 -6.723 3.460 1.00 0.00 H new ATOM 1068 N THR A 71 2.437 -4.187 7.527 1.00 0.00 N ATOM 1069 CA THR A 71 3.070 -4.131 8.838 1.00 0.00 C ATOM 1070 C THR A 71 2.224 -4.841 9.888 1.00 0.00 C ATOM 1071 O THR A 71 2.703 -5.738 10.583 1.00 0.00 O ATOM 1072 CB THR A 71 3.309 -2.677 9.286 1.00 0.00 C ATOM 1073 OG1 THR A 71 2.129 -1.897 9.067 1.00 0.00 O ATOM 1074 CG2 THR A 71 4.477 -2.062 8.529 1.00 0.00 C ATOM 0 H THR A 71 2.465 -3.310 7.008 1.00 0.00 H new ATOM 0 HA THR A 71 4.031 -4.637 8.746 1.00 0.00 H new ATOM 0 HB THR A 71 3.548 -2.683 10.349 1.00 0.00 H new ATOM 0 HG1 THR A 71 2.069 -1.653 8.120 1.00 0.00 H new ATOM 0 HG21 THR A 71 4.626 -1.035 8.863 1.00 0.00 H new ATOM 0 HG22 THR A 71 5.380 -2.641 8.721 1.00 0.00 H new ATOM 0 HG23 THR A 71 4.262 -2.069 7.460 1.00 0.00 H new ATOM 1082 N ASP A 72 0.964 -4.436 9.998 1.00 0.00 N ATOM 1083 CA ASP A 72 0.049 -5.036 10.963 1.00 0.00 C ATOM 1084 C ASP A 72 -0.181 -6.511 10.650 1.00 0.00 C ATOM 1085 O ASP A 72 -0.758 -6.853 9.618 1.00 0.00 O ATOM 1086 CB ASP A 72 -1.285 -4.288 10.967 1.00 0.00 C ATOM 1087 CG ASP A 72 -1.304 -3.142 11.960 1.00 0.00 C ATOM 1088 OD1 ASP A 72 -0.296 -2.409 12.037 1.00 0.00 O ATOM 1089 OD2 ASP A 72 -2.325 -2.980 12.660 1.00 0.00 O ATOM 0 H ASP A 72 0.552 -3.695 9.431 1.00 0.00 H new ATOM 0 HA ASP A 72 0.502 -4.960 11.952 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.485 -3.902 9.967 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -2.088 -4.985 11.206 1.00 0.00 H new ATOM 1094 N ALA A 73 0.274 -7.380 11.546 1.00 0.00 N ATOM 1095 CA ALA A 73 0.117 -8.817 11.366 1.00 0.00 C ATOM 1096 C ALA A 73 -1.318 -9.169 10.988 1.00 0.00 C ATOM 1097 O ALA A 73 -1.563 -9.814 9.968 1.00 0.00 O ATOM 1098 CB ALA A 73 0.528 -9.556 12.630 1.00 0.00 C ATOM 0 H ALA A 73 0.755 -7.113 12.405 1.00 0.00 H new ATOM 0 HA ALA A 73 0.768 -9.129 10.549 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.405 -10.629 12.480 1.00 0.00 H new ATOM 0 HB2 ALA A 73 1.572 -9.338 12.856 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.098 -9.232 13.461 1.00 0.00 H new ATOM 1104 N THR A 74 -2.265 -8.743 11.819 1.00 0.00 N ATOM 1105 CA THR A 74 -3.676 -9.015 11.573 1.00 0.00 C ATOM 1106 C THR A 74 -4.086 -8.570 10.174 1.00 0.00 C ATOM 1107 O THR A 74 -4.557 -9.374 9.368 1.00 0.00 O ATOM 1108 CB THR A 74 -4.573 -8.309 12.607 1.00 0.00 C ATOM 1109 OG1 THR A 74 -4.139 -8.632 13.933 1.00 0.00 O ATOM 1110 CG2 THR A 74 -6.027 -8.716 12.430 1.00 0.00 C ATOM 0 H THR A 74 -2.080 -8.208 12.668 1.00 0.00 H new ATOM 0 HA THR A 74 -3.810 -10.093 11.662 1.00 0.00 H new ATOM 0 HB THR A 74 -4.493 -7.233 12.451 1.00 0.00 H new ATOM 0 HG1 THR A 74 -4.713 -8.178 14.585 1.00 0.00 H new ATOM 0 HG21 THR A 74 -6.641 -8.205 13.171 1.00 0.00 H new ATOM 0 HG22 THR A 74 -6.362 -8.442 11.430 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.122 -9.794 12.562 1.00 0.00 H new ATOM 1118 N LYS A 75 -3.905 -7.285 9.890 1.00 0.00 N ATOM 1119 CA LYS A 75 -4.254 -6.732 8.587 1.00 0.00 C ATOM 1120 C LYS A 75 -3.640 -7.560 7.462 1.00 0.00 C ATOM 1121 O LYS A 75 -4.352 -8.091 6.610 1.00 0.00 O ATOM 1122 CB LYS A 75 -3.781 -5.280 8.482 1.00 0.00 C ATOM 1123 CG LYS A 75 -4.688 -4.292 9.196 1.00 0.00 C ATOM 1124 CD LYS A 75 -5.774 -3.765 8.273 1.00 0.00 C ATOM 1125 CE LYS A 75 -6.947 -4.729 8.184 1.00 0.00 C ATOM 1126 NZ LYS A 75 -7.368 -5.215 9.528 1.00 0.00 N ATOM 0 H LYS A 75 -3.518 -6.606 10.546 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.339 -6.762 8.487 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -2.776 -5.203 8.897 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.714 -5.004 7.430 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -5.146 -4.775 10.059 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -4.095 -3.459 9.574 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -6.123 -2.798 8.635 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -5.360 -3.602 7.278 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -7.787 -4.235 7.697 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -6.672 -5.579 7.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -8.300 -5.671 9.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -6.672 -5.902 9.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -7.426 -4.411 10.185 1.00 0.00 H new ATOM 1140 N ARG A 76 -2.315 -7.666 7.468 1.00 0.00 N ATOM 1141 CA ARG A 76 -1.606 -8.430 6.448 1.00 0.00 C ATOM 1142 C ARG A 76 -2.268 -9.787 6.226 1.00 0.00 C ATOM 1143 O ARG A 76 -2.663 -10.120 5.109 1.00 0.00 O ATOM 1144 CB ARG A 76 -0.143 -8.625 6.852 1.00 0.00 C ATOM 1145 CG ARG A 76 0.576 -9.690 6.040 1.00 0.00 C ATOM 1146 CD ARG A 76 2.059 -9.739 6.374 1.00 0.00 C ATOM 1147 NE ARG A 76 2.842 -8.850 5.520 1.00 0.00 N ATOM 1148 CZ ARG A 76 4.153 -8.968 5.343 1.00 0.00 C ATOM 1149 NH1 ARG A 76 4.824 -9.932 5.956 1.00 0.00 N ATOM 1150 NH2 ARG A 76 4.795 -8.120 4.549 1.00 0.00 N ATOM 0 H ARG A 76 -1.711 -7.233 8.167 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.647 -7.868 5.515 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.385 -7.678 6.742 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -0.099 -8.893 7.908 1.00 0.00 H new ATOM 0 HG2 ARG A 76 0.126 -10.663 6.235 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.448 -9.487 4.977 1.00 0.00 H new ATOM 0 HD2 ARG A 76 2.205 -9.460 7.418 1.00 0.00 H new ATOM 0 HD3 ARG A 76 2.422 -10.761 6.263 1.00 0.00 H new ATOM 0 HE ARG A 76 2.356 -8.097 5.033 1.00 0.00 H new ATOM 0 HH11 ARG A 76 4.334 -10.586 6.566 1.00 0.00 H new ATOM 0 HH12 ARG A 76 5.831 -10.020 5.818 1.00 0.00 H new ATOM 0 HH21 ARG A 76 4.282 -7.377 4.074 1.00 0.00 H new ATOM 0 HH22 ARG A 76 5.802 -8.211 4.413 1.00 0.00 H new ATOM 1164 N ASN A 77 -2.387 -10.564 7.297 1.00 0.00 N ATOM 1165 CA ASN A 77 -3.000 -11.885 7.219 1.00 0.00 C ATOM 1166 C ASN A 77 -4.345 -11.818 6.502 1.00 0.00 C ATOM 1167 O ASN A 77 -4.638 -12.638 5.631 1.00 0.00 O ATOM 1168 CB ASN A 77 -3.185 -12.468 8.621 1.00 0.00 C ATOM 1169 CG ASN A 77 -3.801 -13.854 8.594 1.00 0.00 C ATOM 1170 OD1 ASN A 77 -3.142 -14.831 8.237 1.00 0.00 O ATOM 1171 ND2 ASN A 77 -5.070 -13.945 8.972 1.00 0.00 N ATOM 0 H ASN A 77 -2.067 -10.302 8.229 1.00 0.00 H new ATOM 0 HA ASN A 77 -2.336 -12.534 6.648 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -2.219 -12.512 9.123 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -3.819 -11.803 9.207 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -5.538 -14.851 8.974 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -5.578 -13.108 9.260 1.00 0.00 H new ATOM 1178 N ILE A 78 -5.159 -10.836 6.874 1.00 0.00 N ATOM 1179 CA ILE A 78 -6.473 -10.661 6.266 1.00 0.00 C ATOM 1180 C ILE A 78 -6.367 -10.574 4.747 1.00 0.00 C ATOM 1181 O ILE A 78 -7.147 -11.195 4.024 1.00 0.00 O ATOM 1182 CB ILE A 78 -7.174 -9.396 6.794 1.00 0.00 C ATOM 1183 CG1 ILE A 78 -7.432 -9.520 8.297 1.00 0.00 C ATOM 1184 CG2 ILE A 78 -8.477 -9.161 6.045 1.00 0.00 C ATOM 1185 CD1 ILE A 78 -7.661 -8.191 8.982 1.00 0.00 C ATOM 0 H ILE A 78 -4.932 -10.149 7.593 1.00 0.00 H new ATOM 0 HA ILE A 78 -7.066 -11.534 6.538 1.00 0.00 H new ATOM 0 HB ILE A 78 -6.521 -8.539 6.626 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -8.302 -10.157 8.457 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.582 -10.018 8.763 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -8.961 -8.263 6.430 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -8.268 -9.034 4.983 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -9.137 -10.017 6.185 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -7.837 -8.355 10.045 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -6.782 -7.559 8.853 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -8.529 -7.700 8.542 1.00 0.00 H new ATOM 1197 N TYR A 79 -5.398 -9.801 4.270 1.00 0.00 N ATOM 1198 CA TYR A 79 -5.191 -9.632 2.837 1.00 0.00 C ATOM 1199 C TYR A 79 -4.627 -10.905 2.214 1.00 0.00 C ATOM 1200 O TYR A 79 -5.142 -11.400 1.211 1.00 0.00 O ATOM 1201 CB TYR A 79 -4.245 -8.459 2.572 1.00 0.00 C ATOM 1202 CG TYR A 79 -4.256 -7.985 1.136 1.00 0.00 C ATOM 1203 CD1 TYR A 79 -5.396 -7.420 0.579 1.00 0.00 C ATOM 1204 CD2 TYR A 79 -3.126 -8.103 0.336 1.00 0.00 C ATOM 1205 CE1 TYR A 79 -5.411 -6.986 -0.732 1.00 0.00 C ATOM 1206 CE2 TYR A 79 -3.131 -7.671 -0.976 1.00 0.00 C ATOM 1207 CZ TYR A 79 -4.276 -7.113 -1.505 1.00 0.00 C ATOM 1208 OH TYR A 79 -4.285 -6.682 -2.812 1.00 0.00 O ATOM 0 H TYR A 79 -4.743 -9.281 4.855 1.00 0.00 H new ATOM 0 HA TYR A 79 -6.157 -9.422 2.378 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -4.519 -7.628 3.222 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -3.231 -8.753 2.841 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -6.286 -7.318 1.182 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -2.228 -8.540 0.747 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -6.306 -6.550 -1.149 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -2.244 -7.770 -1.584 1.00 0.00 H new ATOM 0 HH TYR A 79 -3.407 -6.843 -3.216 1.00 0.00 H new ATOM 1218 N ASP A 80 -3.566 -11.431 2.816 1.00 0.00 N ATOM 1219 CA ASP A 80 -2.931 -12.648 2.323 1.00 0.00 C ATOM 1220 C ASP A 80 -3.942 -13.786 2.224 1.00 0.00 C ATOM 1221 O ASP A 80 -3.914 -14.576 1.281 1.00 0.00 O ATOM 1222 CB ASP A 80 -1.776 -13.053 3.239 1.00 0.00 C ATOM 1223 CG ASP A 80 -0.823 -11.906 3.512 1.00 0.00 C ATOM 1224 OD1 ASP A 80 -0.831 -10.930 2.733 1.00 0.00 O ATOM 1225 OD2 ASP A 80 -0.071 -11.983 4.506 1.00 0.00 O ATOM 0 H ASP A 80 -3.127 -11.034 3.647 1.00 0.00 H new ATOM 0 HA ASP A 80 -2.539 -12.446 1.326 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -2.177 -13.421 4.183 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -1.227 -13.877 2.784 1.00 0.00 H new ATOM 1230 N LYS A 81 -4.834 -13.865 3.206 1.00 0.00 N ATOM 1231 CA LYS A 81 -5.855 -14.906 3.231 1.00 0.00 C ATOM 1232 C LYS A 81 -7.028 -14.540 2.327 1.00 0.00 C ATOM 1233 O LYS A 81 -7.350 -15.266 1.386 1.00 0.00 O ATOM 1234 CB LYS A 81 -6.350 -15.129 4.662 1.00 0.00 C ATOM 1235 CG LYS A 81 -5.309 -15.752 5.575 1.00 0.00 C ATOM 1236 CD LYS A 81 -5.920 -16.200 6.892 1.00 0.00 C ATOM 1237 CE LYS A 81 -6.605 -17.551 6.758 1.00 0.00 C ATOM 1238 NZ LYS A 81 -7.275 -17.963 8.022 1.00 0.00 N ATOM 0 H LYS A 81 -4.870 -13.220 3.995 1.00 0.00 H new ATOM 0 HA LYS A 81 -5.407 -15.828 2.860 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -6.664 -14.173 5.082 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -7.230 -15.771 4.637 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -4.850 -16.606 5.076 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -4.514 -15.031 5.768 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -5.142 -16.259 7.653 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -6.642 -15.457 7.231 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -7.341 -17.507 5.955 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -5.870 -18.304 6.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -7.730 -18.889 7.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -6.569 -18.031 8.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -7.995 -17.258 8.279 1.00 0.00 H new ATOM 1252 N TYR A 82 -7.662 -13.409 2.617 1.00 0.00 N ATOM 1253 CA TYR A 82 -8.800 -12.947 1.831 1.00 0.00 C ATOM 1254 C TYR A 82 -8.357 -11.946 0.768 1.00 0.00 C ATOM 1255 O TYR A 82 -8.364 -12.246 -0.425 1.00 0.00 O ATOM 1256 CB TYR A 82 -9.851 -12.310 2.741 1.00 0.00 C ATOM 1257 CG TYR A 82 -10.088 -13.078 4.022 1.00 0.00 C ATOM 1258 CD1 TYR A 82 -10.329 -14.446 4.001 1.00 0.00 C ATOM 1259 CD2 TYR A 82 -10.071 -12.435 5.254 1.00 0.00 C ATOM 1260 CE1 TYR A 82 -10.547 -15.152 5.168 1.00 0.00 C ATOM 1261 CE2 TYR A 82 -10.285 -13.133 6.427 1.00 0.00 C ATOM 1262 CZ TYR A 82 -10.523 -14.491 6.379 1.00 0.00 C ATOM 1263 OH TYR A 82 -10.739 -15.189 7.545 1.00 0.00 O ATOM 0 H TYR A 82 -7.407 -12.795 3.391 1.00 0.00 H new ATOM 0 HA TYR A 82 -9.238 -13.811 1.331 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -9.539 -11.295 2.988 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -10.791 -12.230 2.196 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -10.346 -14.967 3.055 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -9.887 -11.372 5.295 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -10.735 -16.215 5.133 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -10.266 -12.618 7.376 1.00 0.00 H new ATOM 0 HH TYR A 82 -10.688 -14.576 8.308 1.00 0.00 H new ATOM 1273 N GLY A 83 -7.972 -10.753 1.212 1.00 0.00 N ATOM 1274 CA GLY A 83 -7.531 -9.725 0.288 1.00 0.00 C ATOM 1275 C GLY A 83 -8.253 -8.409 0.497 1.00 0.00 C ATOM 1276 O GLY A 83 -8.475 -7.989 1.633 1.00 0.00 O ATOM 0 H GLY A 83 -7.958 -10.481 2.195 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -6.459 -9.570 0.406 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.693 -10.066 -0.734 1.00 0.00 H new ATOM 1280 N SER A 84 -8.619 -7.755 -0.600 1.00 0.00 N ATOM 1281 CA SER A 84 -9.315 -6.475 -0.532 1.00 0.00 C ATOM 1282 C SER A 84 -10.650 -6.621 0.193 1.00 0.00 C ATOM 1283 O SER A 84 -10.904 -5.946 1.191 1.00 0.00 O ATOM 1284 CB SER A 84 -9.544 -5.919 -1.938 1.00 0.00 C ATOM 1285 OG SER A 84 -9.579 -4.502 -1.927 1.00 0.00 O ATOM 0 H SER A 84 -8.445 -8.090 -1.548 1.00 0.00 H new ATOM 0 HA SER A 84 -8.690 -5.779 0.028 1.00 0.00 H new ATOM 0 HB2 SER A 84 -8.750 -6.261 -2.601 1.00 0.00 H new ATOM 0 HB3 SER A 84 -10.482 -6.306 -2.337 1.00 0.00 H new ATOM 0 HG SER A 84 -9.725 -4.171 -2.838 1.00 0.00 H new ATOM 1291 N LEU A 85 -11.498 -7.506 -0.317 1.00 0.00 N ATOM 1292 CA LEU A 85 -12.808 -7.742 0.281 1.00 0.00 C ATOM 1293 C LEU A 85 -12.686 -7.992 1.781 1.00 0.00 C ATOM 1294 O LEU A 85 -13.318 -7.312 2.587 1.00 0.00 O ATOM 1295 CB LEU A 85 -13.490 -8.935 -0.392 1.00 0.00 C ATOM 1296 CG LEU A 85 -14.862 -9.324 0.161 1.00 0.00 C ATOM 1297 CD1 LEU A 85 -15.924 -8.340 -0.304 1.00 0.00 C ATOM 1298 CD2 LEU A 85 -15.223 -10.741 -0.258 1.00 0.00 C ATOM 0 H LEU A 85 -11.303 -8.072 -1.143 1.00 0.00 H new ATOM 0 HA LEU A 85 -13.415 -6.850 0.129 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -13.598 -8.715 -1.454 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -12.830 -9.798 -0.311 1.00 0.00 H new ATOM 0 HG LEU A 85 -14.817 -9.289 1.250 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -16.893 -8.633 0.099 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -15.672 -7.340 0.048 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -15.969 -8.341 -1.393 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -16.202 -11.001 0.144 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -15.249 -10.803 -1.346 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -14.476 -11.436 0.127 1.00 0.00 H new ATOM 1310 N GLY A 86 -11.865 -8.972 2.147 1.00 0.00 N ATOM 1311 CA GLY A 86 -11.673 -9.293 3.549 1.00 0.00 C ATOM 1312 C GLY A 86 -11.529 -8.056 4.413 1.00 0.00 C ATOM 1313 O GLY A 86 -12.253 -7.887 5.395 1.00 0.00 O ATOM 0 H GLY A 86 -11.330 -9.549 1.498 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -12.519 -9.883 3.903 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -10.784 -9.914 3.658 1.00 0.00 H new ATOM 1317 N LEU A 87 -10.591 -7.188 4.049 1.00 0.00 N ATOM 1318 CA LEU A 87 -10.353 -5.960 4.799 1.00 0.00 C ATOM 1319 C LEU A 87 -11.653 -5.190 5.010 1.00 0.00 C ATOM 1320 O LEU A 87 -11.952 -4.748 6.119 1.00 0.00 O ATOM 1321 CB LEU A 87 -9.339 -5.080 4.065 1.00 0.00 C ATOM 1322 CG LEU A 87 -7.970 -5.708 3.805 1.00 0.00 C ATOM 1323 CD1 LEU A 87 -7.198 -4.897 2.776 1.00 0.00 C ATOM 1324 CD2 LEU A 87 -7.180 -5.821 5.100 1.00 0.00 C ATOM 0 H LEU A 87 -9.983 -7.312 3.239 1.00 0.00 H new ATOM 0 HA LEU A 87 -9.951 -6.231 5.775 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -9.769 -4.786 3.108 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -9.194 -4.168 4.643 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.121 -6.711 3.407 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -6.226 -5.359 2.604 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.757 -4.869 1.841 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -7.057 -3.881 3.145 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -6.208 -6.270 4.895 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.038 -4.828 5.527 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.727 -6.445 5.806 1.00 0.00 H new ATOM 1336 N TYR A 88 -12.423 -5.035 3.938 1.00 0.00 N ATOM 1337 CA TYR A 88 -13.691 -4.319 4.006 1.00 0.00 C ATOM 1338 C TYR A 88 -14.594 -4.910 5.085 1.00 0.00 C ATOM 1339 O TYR A 88 -14.848 -4.280 6.112 1.00 0.00 O ATOM 1340 CB TYR A 88 -14.400 -4.365 2.651 1.00 0.00 C ATOM 1341 CG TYR A 88 -15.907 -4.299 2.753 1.00 0.00 C ATOM 1342 CD1 TYR A 88 -16.525 -3.468 3.679 1.00 0.00 C ATOM 1343 CD2 TYR A 88 -16.713 -5.069 1.923 1.00 0.00 C ATOM 1344 CE1 TYR A 88 -17.902 -3.406 3.776 1.00 0.00 C ATOM 1345 CE2 TYR A 88 -18.091 -5.012 2.012 1.00 0.00 C ATOM 1346 CZ TYR A 88 -18.680 -4.180 2.941 1.00 0.00 C ATOM 1347 OH TYR A 88 -20.052 -4.119 3.033 1.00 0.00 O ATOM 0 H TYR A 88 -12.191 -5.395 3.012 1.00 0.00 H new ATOM 0 HA TYR A 88 -13.479 -3.281 4.263 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -14.049 -3.534 2.039 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -14.119 -5.283 2.135 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -15.919 -2.860 4.334 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -16.255 -5.723 1.196 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -18.366 -2.755 4.502 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -18.703 -5.615 1.358 1.00 0.00 H new ATOM 0 HH TYR A 88 -20.325 -4.283 3.960 1.00 0.00 H new ATOM 1357 N VAL A 89 -15.076 -6.125 4.844 1.00 0.00 N ATOM 1358 CA VAL A 89 -15.949 -6.803 5.794 1.00 0.00 C ATOM 1359 C VAL A 89 -15.354 -6.784 7.198 1.00 0.00 C ATOM 1360 O VAL A 89 -16.047 -6.492 8.172 1.00 0.00 O ATOM 1361 CB VAL A 89 -16.205 -8.264 5.377 1.00 0.00 C ATOM 1362 CG1 VAL A 89 -16.966 -9.004 6.466 1.00 0.00 C ATOM 1363 CG2 VAL A 89 -16.960 -8.316 4.057 1.00 0.00 C ATOM 0 H VAL A 89 -14.876 -6.660 3.999 1.00 0.00 H new ATOM 0 HA VAL A 89 -16.895 -6.262 5.796 1.00 0.00 H new ATOM 0 HB VAL A 89 -15.244 -8.759 5.239 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -17.138 -10.034 6.154 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -16.383 -8.996 7.387 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -17.924 -8.513 6.639 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -17.132 -9.355 3.777 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -17.917 -7.806 4.165 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -16.372 -7.824 3.282 1.00 0.00 H new ATOM 1373 N ALA A 90 -14.066 -7.095 7.293 1.00 0.00 N ATOM 1374 CA ALA A 90 -13.376 -7.111 8.577 1.00 0.00 C ATOM 1375 C ALA A 90 -13.485 -5.760 9.275 1.00 0.00 C ATOM 1376 O ALA A 90 -13.581 -5.690 10.500 1.00 0.00 O ATOM 1377 CB ALA A 90 -11.916 -7.493 8.387 1.00 0.00 C ATOM 0 H ALA A 90 -13.479 -7.339 6.496 1.00 0.00 H new ATOM 0 HA ALA A 90 -13.856 -7.857 9.210 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -11.413 -7.501 9.354 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -11.855 -8.484 7.938 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -11.432 -6.768 7.733 1.00 0.00 H new ATOM 1383 N GLU A 91 -13.469 -4.689 8.487 1.00 0.00 N ATOM 1384 CA GLU A 91 -13.564 -3.340 9.032 1.00 0.00 C ATOM 1385 C GLU A 91 -15.003 -2.833 8.981 1.00 0.00 C ATOM 1386 O GLU A 91 -15.311 -1.759 9.496 1.00 0.00 O ATOM 1387 CB GLU A 91 -12.649 -2.388 8.259 1.00 0.00 C ATOM 1388 CG GLU A 91 -12.204 -1.180 9.067 1.00 0.00 C ATOM 1389 CD GLU A 91 -10.873 -0.624 8.600 1.00 0.00 C ATOM 1390 OE1 GLU A 91 -10.035 -1.414 8.119 1.00 0.00 O ATOM 1391 OE2 GLU A 91 -10.670 0.603 8.717 1.00 0.00 O ATOM 0 H GLU A 91 -13.391 -4.730 7.471 1.00 0.00 H new ATOM 0 HA GLU A 91 -13.245 -3.373 10.074 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -11.768 -2.936 7.925 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -13.169 -2.045 7.364 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -12.963 -0.401 8.997 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -12.129 -1.458 10.118 1.00 0.00 H new ATOM 1398 N GLN A 92 -15.877 -3.614 8.355 1.00 0.00 N ATOM 1399 CA GLN A 92 -17.282 -3.243 8.235 1.00 0.00 C ATOM 1400 C GLN A 92 -18.065 -3.669 9.473 1.00 0.00 C ATOM 1401 O GLN A 92 -18.989 -2.979 9.904 1.00 0.00 O ATOM 1402 CB GLN A 92 -17.895 -3.880 6.986 1.00 0.00 C ATOM 1403 CG GLN A 92 -18.713 -5.127 7.277 1.00 0.00 C ATOM 1404 CD GLN A 92 -19.486 -5.614 6.067 1.00 0.00 C ATOM 1405 OE1 GLN A 92 -20.358 -4.915 5.551 1.00 0.00 O ATOM 1406 NE2 GLN A 92 -19.169 -6.819 5.608 1.00 0.00 N ATOM 0 H GLN A 92 -15.638 -4.507 7.923 1.00 0.00 H new ATOM 0 HA GLN A 92 -17.339 -2.158 8.146 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -18.530 -3.147 6.489 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -17.096 -4.134 6.289 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -18.049 -5.920 7.622 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -19.410 -4.918 8.089 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -18.439 -7.364 6.067 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -19.655 -7.200 4.796 1.00 0.00 H new ATOM 1415 N PHE A 93 -17.690 -4.811 10.040 1.00 0.00 N ATOM 1416 CA PHE A 93 -18.358 -5.330 11.228 1.00 0.00 C ATOM 1417 C PHE A 93 -17.340 -5.816 12.255 1.00 0.00 C ATOM 1418 O PHE A 93 -17.557 -5.705 13.461 1.00 0.00 O ATOM 1419 CB PHE A 93 -19.302 -6.473 10.849 1.00 0.00 C ATOM 1420 CG PHE A 93 -18.674 -7.832 10.960 1.00 0.00 C ATOM 1421 CD1 PHE A 93 -17.824 -8.300 9.970 1.00 0.00 C ATOM 1422 CD2 PHE A 93 -18.931 -8.642 12.054 1.00 0.00 C ATOM 1423 CE1 PHE A 93 -17.245 -9.551 10.069 1.00 0.00 C ATOM 1424 CE2 PHE A 93 -18.354 -9.894 12.159 1.00 0.00 C ATOM 1425 CZ PHE A 93 -17.509 -10.348 11.165 1.00 0.00 C ATOM 0 H PHE A 93 -16.927 -5.395 9.696 1.00 0.00 H new ATOM 0 HA PHE A 93 -18.938 -4.521 11.672 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -20.182 -6.435 11.491 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -19.648 -6.324 9.826 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -17.612 -7.680 9.112 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -19.590 -8.291 12.834 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -16.586 -9.905 9.290 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -18.564 -10.516 13.017 1.00 0.00 H new ATOM 0 HZ PHE A 93 -17.056 -11.325 11.245 1.00 0.00 H new ATOM 1435 N GLY A 94 -16.227 -6.356 11.768 1.00 0.00 N ATOM 1436 CA GLY A 94 -15.192 -6.852 12.656 1.00 0.00 C ATOM 1437 C GLY A 94 -14.251 -7.820 11.966 1.00 0.00 C ATOM 1438 O GLY A 94 -14.663 -8.576 11.088 1.00 0.00 O ATOM 0 H GLY A 94 -16.024 -6.459 10.774 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -14.620 -6.011 13.048 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -15.656 -7.347 13.509 1.00 0.00 H new ATOM 1442 N GLU A 95 -12.983 -7.795 12.364 1.00 0.00 N ATOM 1443 CA GLU A 95 -11.981 -8.676 11.776 1.00 0.00 C ATOM 1444 C GLU A 95 -11.842 -9.961 12.588 1.00 0.00 C ATOM 1445 O GLU A 95 -11.537 -11.021 12.042 1.00 0.00 O ATOM 1446 CB GLU A 95 -10.629 -7.964 11.693 1.00 0.00 C ATOM 1447 CG GLU A 95 -10.741 -6.480 11.385 1.00 0.00 C ATOM 1448 CD GLU A 95 -11.122 -5.659 12.602 1.00 0.00 C ATOM 1449 OE1 GLU A 95 -10.846 -6.113 13.733 1.00 0.00 O ATOM 1450 OE2 GLU A 95 -11.696 -4.565 12.425 1.00 0.00 O ATOM 0 H GLU A 95 -12.626 -7.175 13.091 1.00 0.00 H new ATOM 0 HA GLU A 95 -12.309 -8.936 10.770 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -10.102 -8.092 12.639 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -10.023 -8.442 10.923 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -9.789 -6.121 10.993 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -11.485 -6.330 10.603 1.00 0.00 H new ATOM 1457 N GLU A 96 -12.066 -9.856 13.894 1.00 0.00 N ATOM 1458 CA GLU A 96 -11.965 -11.009 14.781 1.00 0.00 C ATOM 1459 C GLU A 96 -13.183 -11.917 14.635 1.00 0.00 C ATOM 1460 O GLU A 96 -13.355 -12.868 15.395 1.00 0.00 O ATOM 1461 CB GLU A 96 -11.827 -10.552 16.234 1.00 0.00 C ATOM 1462 CG GLU A 96 -13.008 -9.734 16.730 1.00 0.00 C ATOM 1463 CD GLU A 96 -12.812 -9.224 18.144 1.00 0.00 C ATOM 1464 OE1 GLU A 96 -11.944 -8.349 18.345 1.00 0.00 O ATOM 1465 OE2 GLU A 96 -13.527 -9.700 19.050 1.00 0.00 O ATOM 0 H GLU A 96 -12.318 -8.985 14.361 1.00 0.00 H new ATOM 0 HA GLU A 96 -11.077 -11.574 14.500 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -11.709 -11.428 16.872 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -10.918 -9.960 16.335 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -13.165 -8.888 16.061 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -13.910 -10.344 16.690 1.00 0.00 H new ATOM 1472 N ASN A 97 -14.025 -11.614 13.652 1.00 0.00 N ATOM 1473 CA ASN A 97 -15.227 -12.401 13.406 1.00 0.00 C ATOM 1474 C ASN A 97 -15.250 -12.927 11.974 1.00 0.00 C ATOM 1475 O ASN A 97 -15.879 -13.945 11.686 1.00 0.00 O ATOM 1476 CB ASN A 97 -16.477 -11.558 13.672 1.00 0.00 C ATOM 1477 CG ASN A 97 -16.711 -11.323 15.151 1.00 0.00 C ATOM 1478 OD1 ASN A 97 -17.297 -12.160 15.839 1.00 0.00 O ATOM 1479 ND2 ASN A 97 -16.255 -10.180 15.648 1.00 0.00 N ATOM 0 H ASN A 97 -13.897 -10.829 13.013 1.00 0.00 H new ATOM 0 HA ASN A 97 -15.219 -13.252 14.087 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -16.379 -10.598 13.165 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -17.346 -12.057 13.244 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -16.384 -9.966 16.637 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -15.775 -9.515 15.041 1.00 0.00 H new ATOM 1486 N VAL A 98 -14.559 -12.227 11.081 1.00 0.00 N ATOM 1487 CA VAL A 98 -14.498 -12.623 9.679 1.00 0.00 C ATOM 1488 C VAL A 98 -14.276 -14.126 9.543 1.00 0.00 C ATOM 1489 O VAL A 98 -14.626 -14.725 8.527 1.00 0.00 O ATOM 1490 CB VAL A 98 -13.374 -11.880 8.934 1.00 0.00 C ATOM 1491 CG1 VAL A 98 -13.079 -12.553 7.602 1.00 0.00 C ATOM 1492 CG2 VAL A 98 -13.745 -10.419 8.731 1.00 0.00 C ATOM 0 H VAL A 98 -14.033 -11.382 11.303 1.00 0.00 H new ATOM 0 HA VAL A 98 -15.456 -12.357 9.233 1.00 0.00 H new ATOM 0 HB VAL A 98 -12.470 -11.921 9.542 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -12.282 -12.013 7.090 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -12.767 -13.583 7.776 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -13.977 -12.546 6.984 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -12.939 -9.909 8.203 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -14.661 -10.354 8.144 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -13.901 -9.945 9.700 1.00 0.00 H new ATOM 1502 N ASN A 99 -13.693 -14.728 10.574 1.00 0.00 N ATOM 1503 CA ASN A 99 -13.424 -16.162 10.569 1.00 0.00 C ATOM 1504 C ASN A 99 -14.701 -16.954 10.307 1.00 0.00 C ATOM 1505 O ASN A 99 -14.797 -17.694 9.327 1.00 0.00 O ATOM 1506 CB ASN A 99 -12.809 -16.591 11.902 1.00 0.00 C ATOM 1507 CG ASN A 99 -11.945 -17.830 11.769 1.00 0.00 C ATOM 1508 OD1 ASN A 99 -10.760 -17.743 11.446 1.00 0.00 O ATOM 1509 ND2 ASN A 99 -12.537 -18.993 12.016 1.00 0.00 N ATOM 0 H ASN A 99 -13.398 -14.246 11.423 1.00 0.00 H new ATOM 0 HA ASN A 99 -12.717 -16.371 9.766 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -12.208 -15.774 12.301 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -13.605 -16.782 12.621 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -12.007 -19.861 11.941 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -13.522 -19.018 12.281 1.00 0.00 H new ATOM 1516 N THR A 100 -15.682 -16.793 11.190 1.00 0.00 N ATOM 1517 CA THR A 100 -16.954 -17.493 11.056 1.00 0.00 C ATOM 1518 C THR A 100 -17.535 -17.314 9.658 1.00 0.00 C ATOM 1519 O THR A 100 -18.200 -18.207 9.132 1.00 0.00 O ATOM 1520 CB THR A 100 -17.980 -16.999 12.093 1.00 0.00 C ATOM 1521 OG1 THR A 100 -19.247 -17.624 11.865 1.00 0.00 O ATOM 1522 CG2 THR A 100 -18.135 -15.487 12.022 1.00 0.00 C ATOM 0 H THR A 100 -15.620 -16.184 12.006 1.00 0.00 H new ATOM 0 HA THR A 100 -16.753 -18.550 11.231 1.00 0.00 H new ATOM 0 HB THR A 100 -17.618 -17.266 13.086 1.00 0.00 H new ATOM 0 HG1 THR A 100 -19.893 -17.306 12.529 1.00 0.00 H new ATOM 0 HG21 THR A 100 -18.865 -15.161 12.763 1.00 0.00 H new ATOM 0 HG22 THR A 100 -17.175 -15.013 12.225 1.00 0.00 H new ATOM 0 HG23 THR A 100 -18.477 -15.203 11.027 1.00 0.00 H new ATOM 1530 N TYR A 101 -17.279 -16.156 9.060 1.00 0.00 N ATOM 1531 CA TYR A 101 -17.778 -15.859 7.723 1.00 0.00 C ATOM 1532 C TYR A 101 -17.125 -16.765 6.684 1.00 0.00 C ATOM 1533 O TYR A 101 -17.803 -17.525 5.992 1.00 0.00 O ATOM 1534 CB TYR A 101 -17.519 -14.393 7.372 1.00 0.00 C ATOM 1535 CG TYR A 101 -18.655 -13.470 7.749 1.00 0.00 C ATOM 1536 CD1 TYR A 101 -19.972 -13.798 7.447 1.00 0.00 C ATOM 1537 CD2 TYR A 101 -18.414 -12.269 8.405 1.00 0.00 C ATOM 1538 CE1 TYR A 101 -21.014 -12.957 7.789 1.00 0.00 C ATOM 1539 CE2 TYR A 101 -19.449 -11.423 8.752 1.00 0.00 C ATOM 1540 CZ TYR A 101 -20.747 -11.772 8.442 1.00 0.00 C ATOM 1541 OH TYR A 101 -21.781 -10.931 8.784 1.00 0.00 O ATOM 0 H TYR A 101 -16.728 -15.407 9.480 1.00 0.00 H new ATOM 0 HA TYR A 101 -18.852 -16.043 7.715 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -16.611 -14.062 7.876 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -17.336 -14.312 6.301 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -20.184 -14.726 6.936 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -17.399 -11.992 8.648 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -22.031 -13.226 7.546 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -19.243 -10.494 9.263 1.00 0.00 H new ATOM 0 HH TYR A 101 -21.423 -10.140 9.239 1.00 0.00 H new ATOM 1551 N PHE A 102 -15.803 -16.679 6.580 1.00 0.00 N ATOM 1552 CA PHE A 102 -15.056 -17.490 5.626 1.00 0.00 C ATOM 1553 C PHE A 102 -15.067 -18.960 6.036 1.00 0.00 C ATOM 1554 O PHE A 102 -15.508 -19.825 5.279 1.00 0.00 O ATOM 1555 CB PHE A 102 -13.615 -16.990 5.517 1.00 0.00 C ATOM 1556 CG PHE A 102 -13.467 -15.773 4.650 1.00 0.00 C ATOM 1557 CD1 PHE A 102 -14.009 -14.558 5.039 1.00 0.00 C ATOM 1558 CD2 PHE A 102 -12.786 -15.843 3.445 1.00 0.00 C ATOM 1559 CE1 PHE A 102 -13.874 -13.436 4.243 1.00 0.00 C ATOM 1560 CE2 PHE A 102 -12.647 -14.724 2.646 1.00 0.00 C ATOM 1561 CZ PHE A 102 -13.193 -13.519 3.045 1.00 0.00 C ATOM 0 H PHE A 102 -15.227 -16.055 7.145 1.00 0.00 H new ATOM 0 HA PHE A 102 -15.539 -17.399 4.653 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -13.241 -16.763 6.515 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -12.991 -17.789 5.117 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -14.543 -14.487 5.975 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -12.359 -16.783 3.127 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -14.301 -12.495 4.558 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -12.112 -14.791 1.710 1.00 0.00 H new ATOM 0 HZ PHE A 102 -13.087 -12.644 2.421 1.00 0.00 H new ATOM 1571 N VAL A 103 -14.577 -19.236 7.241 1.00 0.00 N ATOM 1572 CA VAL A 103 -14.530 -20.600 7.753 1.00 0.00 C ATOM 1573 C VAL A 103 -15.701 -21.424 7.231 1.00 0.00 C ATOM 1574 O VAL A 103 -16.862 -21.059 7.419 1.00 0.00 O ATOM 1575 CB VAL A 103 -14.547 -20.622 9.293 1.00 0.00 C ATOM 1576 CG1 VAL A 103 -15.976 -20.603 9.812 1.00 0.00 C ATOM 1577 CG2 VAL A 103 -13.797 -21.837 9.817 1.00 0.00 C ATOM 0 H VAL A 103 -14.207 -18.533 7.880 1.00 0.00 H new ATOM 0 HA VAL A 103 -13.596 -21.038 7.401 1.00 0.00 H new ATOM 0 HB VAL A 103 -14.042 -19.727 9.657 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -15.968 -20.619 10.902 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -16.477 -19.699 9.466 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -16.510 -21.478 9.440 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -13.819 -21.836 10.907 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -14.271 -22.745 9.445 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -12.763 -21.801 9.475 1.00 0.00 H new ATOM 1587 N SER A 104 -15.389 -22.537 6.576 1.00 0.00 N ATOM 1588 CA SER A 104 -16.416 -23.412 6.023 1.00 0.00 C ATOM 1589 C SER A 104 -15.843 -24.790 5.706 1.00 0.00 C ATOM 1590 O SER A 104 -14.683 -24.918 5.314 1.00 0.00 O ATOM 1591 CB SER A 104 -17.016 -22.794 4.759 1.00 0.00 C ATOM 1592 OG SER A 104 -16.047 -22.696 3.729 1.00 0.00 O ATOM 0 H SER A 104 -14.433 -22.854 6.415 1.00 0.00 H new ATOM 0 HA SER A 104 -17.201 -23.527 6.771 1.00 0.00 H new ATOM 0 HB2 SER A 104 -17.855 -23.400 4.417 1.00 0.00 H new ATOM 0 HB3 SER A 104 -17.411 -21.804 4.987 1.00 0.00 H new ATOM 0 HG SER A 104 -16.456 -22.299 2.932 1.00 0.00 H new ATOM 1598 N GLY A 105 -16.665 -25.821 5.879 1.00 0.00 N ATOM 1599 CA GLY A 105 -16.223 -27.176 5.608 1.00 0.00 C ATOM 1600 C GLY A 105 -15.594 -27.834 6.820 1.00 0.00 C ATOM 1601 O GLY A 105 -15.826 -27.434 7.961 1.00 0.00 O ATOM 0 H GLY A 105 -17.629 -25.741 6.202 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -17.072 -27.772 5.275 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -15.502 -27.163 4.790 1.00 0.00 H new ATOM 1605 N PRO A 106 -14.779 -28.872 6.579 1.00 0.00 N ATOM 1606 CA PRO A 106 -14.099 -29.610 7.648 1.00 0.00 C ATOM 1607 C PRO A 106 -13.009 -28.783 8.320 1.00 0.00 C ATOM 1608 O PRO A 106 -12.451 -27.866 7.718 1.00 0.00 O ATOM 1609 CB PRO A 106 -13.488 -30.808 6.918 1.00 0.00 C ATOM 1610 CG PRO A 106 -13.319 -30.349 5.511 1.00 0.00 C ATOM 1611 CD PRO A 106 -14.457 -29.404 5.244 1.00 0.00 C ATOM 0 HA PRO A 106 -14.782 -29.886 8.451 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -12.533 -31.095 7.358 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -14.139 -31.680 6.974 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -12.359 -29.851 5.376 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -13.341 -31.192 4.820 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -14.167 -28.611 4.555 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -15.310 -29.917 4.800 1.00 0.00 H new ATOM 1619 N SER A 107 -12.709 -29.114 9.572 1.00 0.00 N ATOM 1620 CA SER A 107 -11.687 -28.399 10.328 1.00 0.00 C ATOM 1621 C SER A 107 -10.925 -29.351 11.245 1.00 0.00 C ATOM 1622 O SER A 107 -11.520 -30.191 11.920 1.00 0.00 O ATOM 1623 CB SER A 107 -12.323 -27.278 11.153 1.00 0.00 C ATOM 1624 OG SER A 107 -11.358 -26.313 11.531 1.00 0.00 O ATOM 0 H SER A 107 -13.159 -29.873 10.084 1.00 0.00 H new ATOM 0 HA SER A 107 -10.983 -27.964 9.619 1.00 0.00 H new ATOM 0 HB2 SER A 107 -13.113 -26.799 10.574 1.00 0.00 H new ATOM 0 HB3 SER A 107 -12.790 -27.698 12.044 1.00 0.00 H new ATOM 0 HG SER A 107 -11.790 -25.607 12.056 1.00 0.00 H new ATOM 1630 N SER A 108 -9.603 -29.212 11.263 1.00 0.00 N ATOM 1631 CA SER A 108 -8.757 -30.061 12.094 1.00 0.00 C ATOM 1632 C SER A 108 -8.719 -29.551 13.531 1.00 0.00 C ATOM 1633 O SER A 108 -7.986 -28.616 13.851 1.00 0.00 O ATOM 1634 CB SER A 108 -7.339 -30.118 11.523 1.00 0.00 C ATOM 1635 OG SER A 108 -6.460 -30.794 12.406 1.00 0.00 O ATOM 0 H SER A 108 -9.095 -28.520 10.712 1.00 0.00 H new ATOM 0 HA SER A 108 -9.182 -31.065 12.095 1.00 0.00 H new ATOM 0 HB2 SER A 108 -7.352 -30.626 10.559 1.00 0.00 H new ATOM 0 HB3 SER A 108 -6.974 -29.106 11.346 1.00 0.00 H new ATOM 0 HG SER A 108 -5.561 -30.818 12.017 1.00 0.00 H new ATOM 1641 N GLY A 109 -9.516 -30.173 14.395 1.00 0.00 N ATOM 1642 CA GLY A 109 -9.559 -29.769 15.788 1.00 0.00 C ATOM 1643 C GLY A 109 -9.065 -30.855 16.722 1.00 0.00 C ATOM 1644 O GLY A 109 -8.133 -30.640 17.497 1.00 0.00 O ATOM 0 H GLY A 109 -10.132 -30.949 14.155 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -8.951 -28.874 15.922 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -10.582 -29.503 16.054 1.00 0.00 H new TER 1648 GLY A 109