USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 773 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 4 LYS NZ :NH3+ -163:sc= 1.23 (180deg=0) USER MOD Set 1.2: A 8 GLN : amide:sc= 1.04 K(o=2.3,f=-6.4!) USER MOD Single : A 3 THR OG1 : rot -35:sc= 0.536 USER MOD Single : A 7 LYS NZ :NH3+ 166:sc=-0.00772 (180deg=-0.145) USER MOD Single : A 9 LYS NZ :NH3+ -139:sc= 0.46 (180deg=-1.66!) USER MOD Single : A 12 GLN : amide:sc= -1.02 K(o=-1,f=-0.016) USER MOD Single : A 21 THR OG1 : rot -27:sc= 0.609 USER MOD Single : A 23 SER OG : rot 154:sc= -0.651 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 32 THR OG1 : rot 75:sc= 0.463 USER MOD Single : A 36 ASN : amide:sc= 1.02 K(o=1,f=0) USER MOD Single : A 39 SER OG : rot -81:sc= 1.21 USER MOD Single : A 41 HIS : no HE2:sc= -0.386 K(o=-0.39,f=-2) USER MOD Single : A 43 LYS NZ :NH3+ 164:sc= -0.0473 (180deg=-0.324) USER MOD Single : A 45 HIS : no HE2:sc= 0.727 K(o=0.73,f=-5!) USER MOD Single : A 46 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0825) USER MOD Single : A 47 LYS NZ :NH3+ -175:sc=-0.00537 (180deg=-0.0566) USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 HIS : no HD1:sc= -0.352 X(o=-0.35,f=-0.26) USER MOD Single : A 51 SER OG : rot -90:sc= 0.204 USER MOD Single : A 52 HIS : no HD1:sc= -0.497 X(o=-0.5,f=-0.041) USER MOD Single : A 57 MET CE :methyl 160:sc= -0.261 (180deg=-0.925) USER MOD Single : A 58 MET CE :methyl -158:sc= -0.172 (180deg=-0.688) USER MOD Single : A 61 GLN : amide:sc= -1.82 X(o=-1.8,f=-1.7) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -1.15 K(o=-1.1,f=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ -160:sc= 1.16 (180deg=0.81) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -21.381 21.413 -13.716 1.00 1.00 N ATOM 2 CA PRO A 1 -21.508 20.820 -12.366 1.00 1.00 C ATOM 3 C PRO A 1 -22.292 21.760 -11.475 1.00 1.00 C ATOM 4 O PRO A 1 -22.120 22.972 -11.552 1.00 1.00 O ATOM 5 CB PRO A 1 -20.121 20.584 -11.786 1.00 1.00 C ATOM 6 CG PRO A 1 -19.211 21.212 -12.782 1.00 1.00 C ATOM 7 CD PRO A 1 -19.966 21.252 -14.094 1.00 1.00 C ATOM 0 H2 PRO A 1 -21.648 22.397 -13.710 1.00 1.00 H new ATOM 0 H3 PRO A 1 -21.993 20.942 -14.382 1.00 1.00 H new ATOM 0 HA PRO A 1 -22.035 19.868 -12.429 1.00 1.00 H new ATOM 0 HB2 PRO A 1 -20.015 21.042 -10.802 1.00 1.00 H new ATOM 0 HB3 PRO A 1 -19.912 19.521 -11.667 1.00 1.00 H new ATOM 0 HG2 PRO A 1 -18.927 22.216 -12.468 1.00 1.00 H new ATOM 0 HG3 PRO A 1 -18.290 20.637 -12.882 1.00 1.00 H new ATOM 0 HD2 PRO A 1 -19.628 22.079 -14.719 1.00 1.00 H new ATOM 0 HD3 PRO A 1 -19.812 20.337 -14.666 1.00 1.00 H new ATOM 17 N ILE A 2 -23.175 21.216 -10.671 1.00 1.00 N ATOM 18 CA ILE A 2 -23.967 22.039 -9.767 1.00 1.00 C ATOM 19 C ILE A 2 -23.295 22.120 -8.381 1.00 1.00 C ATOM 20 O ILE A 2 -22.687 23.127 -8.035 1.00 1.00 O ATOM 21 CB ILE A 2 -25.415 21.493 -9.636 1.00 1.00 C ATOM 22 CG1 ILE A 2 -26.089 21.411 -11.018 1.00 1.00 C ATOM 23 CG2 ILE A 2 -26.232 22.374 -8.701 1.00 1.00 C ATOM 24 CD1 ILE A 2 -27.489 20.820 -10.995 1.00 1.00 C ATOM 0 H ILE A 2 -23.367 20.216 -10.619 1.00 1.00 H new ATOM 0 HA ILE A 2 -24.022 23.043 -10.188 1.00 1.00 H new ATOM 0 HB ILE A 2 -25.367 20.489 -9.215 1.00 1.00 H new ATOM 0 HG12 ILE A 2 -26.137 22.412 -11.446 1.00 1.00 H new ATOM 0 HG13 ILE A 2 -25.464 20.811 -11.679 1.00 1.00 H new ATOM 0 HG21 ILE A 2 -27.244 21.978 -8.620 1.00 1.00 H new ATOM 0 HG22 ILE A 2 -25.767 22.387 -7.715 1.00 1.00 H new ATOM 0 HG23 ILE A 2 -26.270 23.389 -9.098 1.00 1.00 H new ATOM 0 HD11 ILE A 2 -27.891 20.798 -12.008 1.00 1.00 H new ATOM 0 HD12 ILE A 2 -27.449 19.805 -10.599 1.00 1.00 H new ATOM 0 HD13 ILE A 2 -28.132 21.432 -10.362 1.00 1.00 H new ATOM 36 N THR A 3 -23.352 21.012 -7.653 1.00 1.00 N ATOM 37 CA THR A 3 -22.801 20.874 -6.278 1.00 1.00 C ATOM 38 C THR A 3 -23.627 19.850 -5.515 1.00 1.00 C ATOM 39 O THR A 3 -23.322 19.494 -4.378 1.00 1.00 O ATOM 40 CB THR A 3 -22.790 22.184 -5.436 1.00 1.00 C ATOM 41 OG1 THR A 3 -22.088 21.955 -4.203 1.00 1.00 O ATOM 42 CG2 THR A 3 -24.195 22.698 -5.110 1.00 1.00 C ATOM 0 H THR A 3 -23.789 20.156 -7.994 1.00 1.00 H new ATOM 0 HA THR A 3 -21.762 20.575 -6.413 1.00 1.00 H new ATOM 0 HB THR A 3 -22.292 22.942 -6.041 1.00 1.00 H new ATOM 0 HG1 THR A 3 -22.261 21.042 -3.893 1.00 1.00 H new ATOM 0 HG21 THR A 3 -24.120 23.613 -4.522 1.00 1.00 H new ATOM 0 HG22 THR A 3 -24.731 22.905 -6.036 1.00 1.00 H new ATOM 0 HG23 THR A 3 -24.735 21.943 -4.539 1.00 1.00 H new ATOM 50 N LYS A 4 -24.656 19.333 -6.178 1.00 1.00 N ATOM 51 CA LYS A 4 -25.554 18.386 -5.548 1.00 1.00 C ATOM 52 C LYS A 4 -25.055 16.961 -5.747 1.00 1.00 C ATOM 53 O LYS A 4 -24.552 16.349 -4.811 1.00 1.00 O ATOM 54 CB LYS A 4 -26.974 18.566 -6.096 1.00 1.00 C ATOM 55 CG LYS A 4 -28.087 18.122 -5.145 1.00 1.00 C ATOM 56 CD LYS A 4 -28.170 16.606 -4.974 1.00 1.00 C ATOM 57 CE LYS A 4 -29.254 16.234 -3.969 1.00 1.00 C ATOM 58 NZ LYS A 4 -29.484 14.762 -3.890 1.00 1.00 N ATOM 0 H LYS A 4 -24.884 19.556 -7.147 1.00 1.00 H new ATOM 0 HA LYS A 4 -25.578 18.578 -4.475 1.00 1.00 H new ATOM 0 HB2 LYS A 4 -27.123 19.617 -6.343 1.00 1.00 H new ATOM 0 HB3 LYS A 4 -27.064 18.005 -7.026 1.00 1.00 H new ATOM 0 HG2 LYS A 4 -27.927 18.582 -4.170 1.00 1.00 H new ATOM 0 HG3 LYS A 4 -29.042 18.491 -5.518 1.00 1.00 H new ATOM 0 HD2 LYS A 4 -28.383 16.138 -5.935 1.00 1.00 H new ATOM 0 HD3 LYS A 4 -27.208 16.220 -4.638 1.00 1.00 H new ATOM 0 HE2 LYS A 4 -28.974 16.607 -2.984 1.00 1.00 H new ATOM 0 HE3 LYS A 4 -30.185 16.729 -4.245 1.00 1.00 H new ATOM 0 HZ1 LYS A 4 -30.398 14.578 -3.429 1.00 1.00 H new ATOM 0 HZ2 LYS A 4 -29.493 14.360 -4.849 1.00 1.00 H new ATOM 0 HZ3 LYS A 4 -28.722 14.321 -3.337 1.00 1.00 H new ATOM 72 N GLU A 5 -25.136 16.438 -6.965 1.00 1.00 N ATOM 73 CA GLU A 5 -24.668 15.070 -7.194 1.00 1.00 C ATOM 74 C GLU A 5 -23.159 15.061 -7.370 1.00 1.00 C ATOM 75 O GLU A 5 -22.525 14.010 -7.464 1.00 1.00 O ATOM 76 CB GLU A 5 -25.363 14.411 -8.371 1.00 1.00 C ATOM 77 CG GLU A 5 -26.862 14.324 -8.174 1.00 1.00 C ATOM 78 CD GLU A 5 -27.515 13.328 -9.101 1.00 1.00 C ATOM 79 OE1 GLU A 5 -27.464 13.537 -10.327 1.00 1.00 O ATOM 80 OE2 GLU A 5 -28.076 12.336 -8.590 1.00 1.00 O ATOM 0 H GLU A 5 -25.507 16.917 -7.785 1.00 1.00 H new ATOM 0 HA GLU A 5 -24.926 14.479 -6.315 1.00 1.00 H new ATOM 0 HB2 GLU A 5 -25.150 14.975 -9.279 1.00 1.00 H new ATOM 0 HB3 GLU A 5 -24.958 13.409 -8.515 1.00 1.00 H new ATOM 0 HG2 GLU A 5 -27.073 14.046 -7.142 1.00 1.00 H new ATOM 0 HG3 GLU A 5 -27.303 15.308 -8.335 1.00 1.00 H new ATOM 87 N GLU A 6 -22.603 16.257 -7.413 1.00 1.00 N ATOM 88 CA GLU A 6 -21.179 16.451 -7.490 1.00 1.00 C ATOM 89 C GLU A 6 -20.603 15.887 -6.201 1.00 1.00 C ATOM 90 O GLU A 6 -19.848 14.914 -6.163 1.00 1.00 O ATOM 91 CB GLU A 6 -20.922 17.958 -7.540 1.00 1.00 C ATOM 92 CG GLU A 6 -21.090 18.569 -8.920 1.00 1.00 C ATOM 93 CD GLU A 6 -22.507 18.465 -9.468 1.00 1.00 C ATOM 94 OE1 GLU A 6 -23.473 18.568 -8.673 1.00 1.00 O ATOM 95 OE2 GLU A 6 -22.658 18.328 -10.698 1.00 1.00 O ATOM 0 H GLU A 6 -23.138 17.125 -7.395 1.00 1.00 H new ATOM 0 HA GLU A 6 -20.735 15.970 -8.362 1.00 1.00 H new ATOM 0 HB2 GLU A 6 -21.603 18.455 -6.849 1.00 1.00 H new ATOM 0 HB3 GLU A 6 -19.910 18.155 -7.188 1.00 1.00 H new ATOM 0 HG2 GLU A 6 -20.802 19.619 -8.880 1.00 1.00 H new ATOM 0 HG3 GLU A 6 -20.406 18.077 -9.611 1.00 1.00 H new ATOM 102 N LYS A 7 -21.078 16.513 -5.141 1.00 1.00 N ATOM 103 CA LYS A 7 -20.747 16.188 -3.787 1.00 1.00 C ATOM 104 C LYS A 7 -21.217 14.774 -3.447 1.00 1.00 C ATOM 105 O LYS A 7 -20.447 13.932 -2.995 1.00 1.00 O ATOM 106 CB LYS A 7 -21.493 17.225 -2.945 1.00 1.00 C ATOM 107 CG LYS A 7 -21.148 17.288 -1.464 1.00 1.00 C ATOM 108 CD LYS A 7 -21.611 16.059 -0.695 1.00 1.00 C ATOM 109 CE LYS A 7 -21.455 16.256 0.805 1.00 1.00 C ATOM 110 NZ LYS A 7 -22.448 17.226 1.344 1.00 1.00 N ATOM 0 H LYS A 7 -21.731 17.293 -5.215 1.00 1.00 H new ATOM 0 HA LYS A 7 -19.672 16.209 -3.606 1.00 1.00 H new ATOM 0 HB2 LYS A 7 -21.310 18.208 -3.378 1.00 1.00 H new ATOM 0 HB3 LYS A 7 -22.562 17.031 -3.036 1.00 1.00 H new ATOM 0 HG2 LYS A 7 -20.069 17.395 -1.352 1.00 1.00 H new ATOM 0 HG3 LYS A 7 -21.604 18.177 -1.027 1.00 1.00 H new ATOM 0 HD2 LYS A 7 -22.655 15.852 -0.930 1.00 1.00 H new ATOM 0 HD3 LYS A 7 -21.034 15.190 -1.012 1.00 1.00 H new ATOM 0 HE2 LYS A 7 -21.572 15.298 1.311 1.00 1.00 H new ATOM 0 HE3 LYS A 7 -20.447 16.610 1.022 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 -22.472 17.158 2.382 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 -22.177 18.191 1.066 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 -23.390 17.007 0.961 1.00 1.00 H new ATOM 124 N GLN A 8 -22.482 14.525 -3.725 1.00 1.00 N ATOM 125 CA GLN A 8 -23.110 13.253 -3.406 1.00 1.00 C ATOM 126 C GLN A 8 -22.415 12.058 -4.053 1.00 1.00 C ATOM 127 O GLN A 8 -22.132 11.070 -3.379 1.00 1.00 O ATOM 128 CB GLN A 8 -24.567 13.291 -3.832 1.00 1.00 C ATOM 129 CG GLN A 8 -25.399 12.165 -3.256 1.00 1.00 C ATOM 130 CD GLN A 8 -26.849 12.277 -3.669 1.00 1.00 C ATOM 131 OE1 GLN A 8 -27.654 12.929 -3.011 1.00 1.00 O ATOM 132 NE2 GLN A 8 -27.191 11.666 -4.784 1.00 1.00 N ATOM 0 H GLN A 8 -23.104 15.195 -4.177 1.00 1.00 H new ATOM 0 HA GLN A 8 -23.026 13.117 -2.328 1.00 1.00 H new ATOM 0 HB2 GLN A 8 -25.001 14.244 -3.528 1.00 1.00 H new ATOM 0 HB3 GLN A 8 -24.619 13.250 -4.920 1.00 1.00 H new ATOM 0 HG2 GLN A 8 -24.998 11.208 -3.590 1.00 1.00 H new ATOM 0 HG3 GLN A 8 -25.328 12.179 -2.168 1.00 1.00 H new ATOM 0 HE21 GLN A 8 -26.497 11.132 -5.307 1.00 1.00 H new ATOM 0 HE22 GLN A 8 -28.150 11.727 -5.125 1.00 1.00 H new ATOM 141 N LYS A 9 -22.128 12.137 -5.343 1.00 1.00 N ATOM 142 CA LYS A 9 -21.482 11.012 -6.010 1.00 1.00 C ATOM 143 C LYS A 9 -20.058 10.790 -5.504 1.00 1.00 C ATOM 144 O LYS A 9 -19.705 9.676 -5.169 1.00 1.00 O ATOM 145 CB LYS A 9 -21.481 11.158 -7.534 1.00 1.00 C ATOM 146 CG LYS A 9 -22.850 10.945 -8.158 1.00 1.00 C ATOM 147 CD LYS A 9 -22.845 11.135 -9.678 1.00 1.00 C ATOM 148 CE LYS A 9 -22.121 10.021 -10.446 1.00 1.00 C ATOM 149 NZ LYS A 9 -20.627 10.124 -10.399 1.00 1.00 N ATOM 0 H LYS A 9 -22.324 12.943 -5.937 1.00 1.00 H new ATOM 0 HA LYS A 9 -22.078 10.135 -5.758 1.00 1.00 H new ATOM 0 HB2 LYS A 9 -21.120 12.152 -7.797 1.00 1.00 H new ATOM 0 HB3 LYS A 9 -20.779 10.441 -7.960 1.00 1.00 H new ATOM 0 HG2 LYS A 9 -23.199 9.939 -7.923 1.00 1.00 H new ATOM 0 HG3 LYS A 9 -23.560 11.641 -7.712 1.00 1.00 H new ATOM 0 HD2 LYS A 9 -23.875 11.194 -10.029 1.00 1.00 H new ATOM 0 HD3 LYS A 9 -22.373 12.089 -9.913 1.00 1.00 H new ATOM 0 HE2 LYS A 9 -22.422 9.056 -10.037 1.00 1.00 H new ATOM 0 HE3 LYS A 9 -22.444 10.041 -11.487 1.00 1.00 H new ATOM 0 HZ1 LYS A 9 -20.234 9.899 -11.335 1.00 1.00 H new ATOM 0 HZ2 LYS A 9 -20.354 11.091 -10.132 1.00 1.00 H new ATOM 0 HZ3 LYS A 9 -20.255 9.453 -9.697 1.00 1.00 H new ATOM 163 N VAL A 10 -19.257 11.842 -5.389 1.00 1.00 N ATOM 164 CA VAL A 10 -17.874 11.667 -4.931 1.00 1.00 C ATOM 165 C VAL A 10 -17.816 11.128 -3.494 1.00 1.00 C ATOM 166 O VAL A 10 -16.967 10.305 -3.154 1.00 1.00 O ATOM 167 CB VAL A 10 -17.062 12.976 -5.030 1.00 1.00 C ATOM 168 CG1 VAL A 10 -15.630 12.767 -4.564 1.00 1.00 C ATOM 169 CG2 VAL A 10 -17.077 13.495 -6.457 1.00 1.00 C ATOM 0 H VAL A 10 -19.526 12.803 -5.599 1.00 1.00 H new ATOM 0 HA VAL A 10 -17.423 10.932 -5.598 1.00 1.00 H new ATOM 0 HB VAL A 10 -17.528 13.714 -4.377 1.00 1.00 H new ATOM 0 HG11 VAL A 10 -15.081 13.705 -4.644 1.00 1.00 H new ATOM 0 HG12 VAL A 10 -15.630 12.434 -3.526 1.00 1.00 H new ATOM 0 HG13 VAL A 10 -15.151 12.012 -5.187 1.00 1.00 H new ATOM 0 HG21 VAL A 10 -16.501 14.419 -6.514 1.00 1.00 H new ATOM 0 HG22 VAL A 10 -16.636 12.750 -7.120 1.00 1.00 H new ATOM 0 HG23 VAL A 10 -18.105 13.689 -6.763 1.00 1.00 H new ATOM 179 N ILE A 11 -18.757 11.559 -2.673 1.00 1.00 N ATOM 180 CA ILE A 11 -18.834 11.133 -1.275 1.00 1.00 C ATOM 181 C ILE A 11 -19.271 9.674 -1.177 1.00 1.00 C ATOM 182 O ILE A 11 -18.860 8.925 -0.287 1.00 1.00 O ATOM 183 CB ILE A 11 -19.805 12.070 -0.523 1.00 1.00 C ATOM 184 CG1 ILE A 11 -18.999 13.128 0.216 1.00 1.00 C ATOM 185 CG2 ILE A 11 -20.761 11.338 0.404 1.00 1.00 C ATOM 186 CD1 ILE A 11 -18.180 13.948 -0.749 1.00 1.00 C ATOM 0 H ILE A 11 -19.490 12.212 -2.949 1.00 1.00 H new ATOM 0 HA ILE A 11 -17.849 11.200 -0.813 1.00 1.00 H new ATOM 0 HB ILE A 11 -20.448 12.547 -1.263 1.00 1.00 H new ATOM 0 HG12 ILE A 11 -19.671 13.779 0.774 1.00 1.00 H new ATOM 0 HG13 ILE A 11 -18.342 12.650 0.942 1.00 1.00 H new ATOM 0 HG21 ILE A 11 -21.412 12.059 0.898 1.00 1.00 H new ATOM 0 HG22 ILE A 11 -21.366 10.640 -0.175 1.00 1.00 H new ATOM 0 HG23 ILE A 11 -20.192 10.790 1.154 1.00 1.00 H new ATOM 0 HD11 ILE A 11 -17.612 14.698 -0.198 1.00 1.00 H new ATOM 0 HD12 ILE A 11 -17.493 13.296 -1.288 1.00 1.00 H new ATOM 0 HD13 ILE A 11 -18.842 14.443 -1.459 1.00 1.00 H new ATOM 198 N GLN A 12 -20.085 9.281 -2.130 1.00 1.00 N ATOM 199 CA GLN A 12 -20.585 7.930 -2.206 1.00 1.00 C ATOM 200 C GLN A 12 -19.590 7.023 -2.941 1.00 1.00 C ATOM 201 O GLN A 12 -19.455 5.848 -2.617 1.00 1.00 O ATOM 202 CB GLN A 12 -21.924 7.956 -2.923 1.00 1.00 C ATOM 203 CG GLN A 12 -22.496 6.583 -3.190 1.00 1.00 C ATOM 204 CD GLN A 12 -23.853 6.639 -3.860 1.00 1.00 C ATOM 205 OE1 GLN A 12 -24.195 5.786 -4.661 1.00 1.00 O ATOM 206 NE2 GLN A 12 -24.642 7.645 -3.535 1.00 1.00 N ATOM 0 H GLN A 12 -20.419 9.892 -2.875 1.00 1.00 H new ATOM 0 HA GLN A 12 -20.712 7.525 -1.202 1.00 1.00 H new ATOM 0 HB2 GLN A 12 -22.635 8.526 -2.326 1.00 1.00 H new ATOM 0 HB3 GLN A 12 -21.809 8.483 -3.870 1.00 1.00 H new ATOM 0 HG2 GLN A 12 -21.806 6.022 -3.821 1.00 1.00 H new ATOM 0 HG3 GLN A 12 -22.581 6.039 -2.249 1.00 1.00 H new ATOM 0 HE21 GLN A 12 -24.327 8.343 -2.861 1.00 1.00 H new ATOM 0 HE22 GLN A 12 -25.567 7.725 -3.957 1.00 1.00 H new ATOM 215 N GLU A 13 -18.887 7.583 -3.924 1.00 1.00 N ATOM 216 CA GLU A 13 -17.899 6.822 -4.696 1.00 1.00 C ATOM 217 C GLU A 13 -16.673 6.539 -3.835 1.00 1.00 C ATOM 218 O GLU A 13 -16.025 5.506 -3.961 1.00 1.00 O ATOM 219 CB GLU A 13 -17.527 7.563 -5.985 1.00 1.00 C ATOM 220 CG GLU A 13 -18.660 7.553 -7.005 1.00 1.00 C ATOM 221 CD GLU A 13 -18.351 8.324 -8.270 1.00 1.00 C ATOM 222 OE1 GLU A 13 -17.511 7.847 -9.059 1.00 1.00 O ATOM 223 OE2 GLU A 13 -18.989 9.374 -8.507 1.00 1.00 O ATOM 0 H GLU A 13 -18.981 8.559 -4.206 1.00 1.00 H new ATOM 0 HA GLU A 13 -18.335 5.867 -4.988 1.00 1.00 H new ATOM 0 HB2 GLU A 13 -17.265 8.594 -5.746 1.00 1.00 H new ATOM 0 HB3 GLU A 13 -16.642 7.102 -6.424 1.00 1.00 H new ATOM 0 HG2 GLU A 13 -18.891 6.521 -7.267 1.00 1.00 H new ATOM 0 HG3 GLU A 13 -19.554 7.972 -6.544 1.00 1.00 H new ATOM 230 N PHE A 14 -16.324 7.497 -3.004 1.00 1.00 N ATOM 231 CA PHE A 14 -15.240 7.314 -2.038 1.00 1.00 C ATOM 232 C PHE A 14 -15.628 8.002 -0.718 1.00 1.00 C ATOM 233 O PHE A 14 -16.154 7.384 0.211 1.00 1.00 O ATOM 234 CB PHE A 14 -13.898 7.911 -2.523 1.00 1.00 C ATOM 235 CG PHE A 14 -13.603 7.775 -3.994 1.00 1.00 C ATOM 236 CD1 PHE A 14 -13.105 6.591 -4.506 1.00 1.00 C ATOM 237 CD2 PHE A 14 -13.747 8.864 -4.846 1.00 1.00 C ATOM 238 CE1 PHE A 14 -12.798 6.474 -5.849 1.00 1.00 C ATOM 239 CE2 PHE A 14 -13.448 8.749 -6.192 1.00 1.00 C ATOM 240 CZ PHE A 14 -12.949 7.560 -6.688 1.00 1.00 C ATOM 0 H PHE A 14 -16.770 8.414 -2.971 1.00 1.00 H new ATOM 0 HA PHE A 14 -15.100 6.241 -1.909 1.00 1.00 H new ATOM 0 HB2 PHE A 14 -13.882 8.970 -2.267 1.00 1.00 H new ATOM 0 HB3 PHE A 14 -13.090 7.436 -1.966 1.00 1.00 H new ATOM 0 HD1 PHE A 14 -12.954 5.747 -3.849 1.00 1.00 H new ATOM 0 HD2 PHE A 14 -14.095 9.808 -4.454 1.00 1.00 H new ATOM 0 HE1 PHE A 14 -12.440 5.534 -6.242 1.00 1.00 H new ATOM 0 HE2 PHE A 14 -13.605 9.588 -6.854 1.00 1.00 H new ATOM 0 HZ PHE A 14 -12.678 7.480 -7.730 1.00 1.00 H new ATOM 250 N ALA A 15 -15.397 9.312 -0.741 1.00 1.00 N ATOM 251 CA ALA A 15 -15.610 10.291 0.337 1.00 1.00 C ATOM 252 C ALA A 15 -14.496 11.330 0.164 1.00 1.00 C ATOM 253 O ALA A 15 -14.629 12.272 -0.611 1.00 1.00 O ATOM 254 CB ALA A 15 -15.577 9.711 1.748 1.00 1.00 C ATOM 0 H ALA A 15 -15.026 9.759 -1.579 1.00 1.00 H new ATOM 0 HA ALA A 15 -16.615 10.705 0.248 1.00 1.00 H new ATOM 0 HB1 ALA A 15 -15.743 10.508 2.473 1.00 1.00 H new ATOM 0 HB2 ALA A 15 -16.359 8.958 1.850 1.00 1.00 H new ATOM 0 HB3 ALA A 15 -14.605 9.252 1.930 1.00 1.00 H new ATOM 260 N ARG A 16 -13.380 11.107 0.863 1.00 1.00 N ATOM 261 CA ARG A 16 -12.167 11.941 0.750 1.00 1.00 C ATOM 262 C ARG A 16 -12.384 13.422 1.021 1.00 1.00 C ATOM 263 O ARG A 16 -11.589 14.263 0.605 1.00 1.00 O ATOM 264 CB ARG A 16 -11.529 11.751 -0.623 1.00 1.00 C ATOM 265 CG ARG A 16 -10.930 10.368 -0.789 1.00 1.00 C ATOM 266 CD ARG A 16 -9.754 10.158 0.169 1.00 1.00 C ATOM 267 NE ARG A 16 -8.703 11.180 0.002 1.00 1.00 N ATOM 268 CZ ARG A 16 -8.104 11.829 0.979 1.00 1.00 C ATOM 269 NH1 ARG A 16 -8.432 11.643 2.216 1.00 1.00 N ATOM 270 NH2 ARG A 16 -7.175 12.685 0.699 1.00 1.00 N ATOM 0 H ARG A 16 -13.286 10.340 1.529 1.00 1.00 H new ATOM 0 HA ARG A 16 -11.499 11.594 1.539 1.00 1.00 H new ATOM 0 HB2 ARG A 16 -12.279 11.915 -1.396 1.00 1.00 H new ATOM 0 HB3 ARG A 16 -10.752 12.502 -0.768 1.00 1.00 H new ATOM 0 HG2 ARG A 16 -11.694 9.613 -0.603 1.00 1.00 H new ATOM 0 HG3 ARG A 16 -10.594 10.235 -1.817 1.00 1.00 H new ATOM 0 HD2 ARG A 16 -10.118 10.179 1.196 1.00 1.00 H new ATOM 0 HD3 ARG A 16 -9.326 9.170 0.003 1.00 1.00 H new ATOM 0 HE ARG A 16 -8.416 11.403 -0.951 1.00 1.00 H new ATOM 0 HH11 ARG A 16 -9.170 10.981 2.454 1.00 1.00 H new ATOM 0 HH12 ARG A 16 -7.952 12.159 2.954 1.00 1.00 H new ATOM 0 HH21 ARG A 16 -6.912 12.853 -0.272 1.00 1.00 H new ATOM 0 HH22 ARG A 16 -6.706 13.192 1.449 1.00 1.00 H new ATOM 284 N PHE A 17 -13.428 13.735 1.742 1.00 1.00 N ATOM 285 CA PHE A 17 -13.711 15.108 2.076 1.00 1.00 C ATOM 286 C PHE A 17 -14.044 15.246 3.543 1.00 1.00 C ATOM 287 O PHE A 17 -14.394 14.264 4.199 1.00 1.00 O ATOM 288 CB PHE A 17 -14.912 15.627 1.278 1.00 1.00 C ATOM 289 CG PHE A 17 -14.569 16.060 -0.107 1.00 1.00 C ATOM 290 CD1 PHE A 17 -14.046 17.320 -0.334 1.00 1.00 C ATOM 291 CD2 PHE A 17 -14.785 15.218 -1.182 1.00 1.00 C ATOM 292 CE1 PHE A 17 -13.716 17.722 -1.610 1.00 1.00 C ATOM 293 CE2 PHE A 17 -14.456 15.612 -2.459 1.00 1.00 C ATOM 294 CZ PHE A 17 -13.933 16.871 -2.677 1.00 1.00 C ATOM 0 H PHE A 17 -14.097 13.059 2.110 1.00 1.00 H new ATOM 0 HA PHE A 17 -12.819 15.685 1.834 1.00 1.00 H new ATOM 0 HB2 PHE A 17 -15.669 14.844 1.228 1.00 1.00 H new ATOM 0 HB3 PHE A 17 -15.357 16.467 1.812 1.00 1.00 H new ATOM 0 HD1 PHE A 17 -13.895 17.995 0.496 1.00 1.00 H new ATOM 0 HD2 PHE A 17 -15.216 14.241 -1.018 1.00 1.00 H new ATOM 0 HE1 PHE A 17 -13.289 18.700 -1.776 1.00 1.00 H new ATOM 0 HE2 PHE A 17 -14.607 14.938 -3.289 1.00 1.00 H new ATOM 0 HZ PHE A 17 -13.694 17.191 -3.681 1.00 1.00 H new ATOM 304 N PRO A 18 -13.851 16.440 4.111 1.00 1.00 N ATOM 305 CA PRO A 18 -14.294 16.706 5.465 1.00 1.00 C ATOM 306 C PRO A 18 -15.806 16.575 5.442 1.00 1.00 C ATOM 307 O PRO A 18 -16.524 17.466 5.003 1.00 1.00 O ATOM 308 CB PRO A 18 -13.866 18.143 5.729 1.00 1.00 C ATOM 309 CG PRO A 18 -12.793 18.408 4.729 1.00 1.00 C ATOM 310 CD PRO A 18 -13.140 17.579 3.522 1.00 1.00 C ATOM 0 HA PRO A 18 -13.891 16.042 6.230 1.00 1.00 H new ATOM 0 HB2 PRO A 18 -14.700 18.834 5.607 1.00 1.00 H new ATOM 0 HB3 PRO A 18 -13.497 18.266 6.747 1.00 1.00 H new ATOM 0 HG2 PRO A 18 -12.748 19.467 4.476 1.00 1.00 H new ATOM 0 HG3 PRO A 18 -11.815 18.133 5.124 1.00 1.00 H new ATOM 0 HD2 PRO A 18 -13.766 18.128 2.819 1.00 1.00 H new ATOM 0 HD3 PRO A 18 -12.250 17.264 2.977 1.00 1.00 H new ATOM 318 N GLY A 19 -16.264 15.433 5.862 1.00 1.00 N ATOM 319 CA GLY A 19 -17.664 15.116 5.791 1.00 1.00 C ATOM 320 C GLY A 19 -17.802 13.653 5.454 1.00 1.00 C ATOM 321 O GLY A 19 -18.909 13.134 5.322 1.00 1.00 O ATOM 0 H GLY A 19 -15.683 14.696 6.262 1.00 1.00 H new ATOM 0 HA2 GLY A 19 -18.151 15.334 6.741 1.00 1.00 H new ATOM 0 HA3 GLY A 19 -18.154 15.728 5.034 1.00 1.00 H new ATOM 325 N ASP A 20 -16.625 13.044 5.190 1.00 1.00 N ATOM 326 CA ASP A 20 -16.512 11.604 4.929 1.00 1.00 C ATOM 327 C ASP A 20 -17.556 10.862 5.712 1.00 1.00 C ATOM 328 O ASP A 20 -17.657 10.932 6.946 1.00 1.00 O ATOM 329 CB ASP A 20 -15.097 11.080 5.201 1.00 1.00 C ATOM 330 CG ASP A 20 -15.038 9.574 5.389 1.00 1.00 C ATOM 331 OD1 ASP A 20 -15.705 8.848 4.624 1.00 1.00 O ATOM 332 OD2 ASP A 20 -14.308 9.124 6.289 1.00 1.00 O ATOM 0 H ASP A 20 -15.734 13.540 5.153 1.00 1.00 H new ATOM 0 HA ASP A 20 -16.694 11.429 3.869 1.00 1.00 H new ATOM 0 HB2 ASP A 20 -14.448 11.361 4.372 1.00 1.00 H new ATOM 0 HB3 ASP A 20 -14.703 11.566 6.093 1.00 1.00 H new ATOM 337 N THR A 21 -18.315 10.156 4.934 1.00 1.00 N ATOM 338 CA THR A 21 -19.451 9.463 5.398 1.00 1.00 C ATOM 339 C THR A 21 -19.119 8.046 5.817 1.00 1.00 C ATOM 340 O THR A 21 -20.007 7.273 6.154 1.00 1.00 O ATOM 341 CB THR A 21 -20.520 9.524 4.291 1.00 1.00 C ATOM 342 OG1 THR A 21 -21.732 8.905 4.718 1.00 1.00 O ATOM 343 CG2 THR A 21 -20.024 8.888 2.995 1.00 1.00 C ATOM 0 H THR A 21 -18.148 10.050 3.933 1.00 1.00 H new ATOM 0 HA THR A 21 -19.838 9.936 6.300 1.00 1.00 H new ATOM 0 HB THR A 21 -20.720 10.577 4.091 1.00 1.00 H new ATOM 0 HG1 THR A 21 -21.531 8.220 5.390 1.00 1.00 H new ATOM 0 HG21 THR A 21 -20.805 8.950 2.237 1.00 1.00 H new ATOM 0 HG22 THR A 21 -19.137 9.417 2.646 1.00 1.00 H new ATOM 0 HG23 THR A 21 -19.775 7.842 3.175 1.00 1.00 H new ATOM 351 N GLY A 22 -17.835 7.713 5.811 1.00 1.00 N ATOM 352 CA GLY A 22 -17.426 6.394 6.236 1.00 1.00 C ATOM 353 C GLY A 22 -17.815 5.330 5.249 1.00 1.00 C ATOM 354 O GLY A 22 -18.354 4.283 5.607 1.00 1.00 O ATOM 0 H GLY A 22 -17.076 8.330 5.521 1.00 1.00 H new ATOM 0 HA2 GLY A 22 -16.345 6.379 6.376 1.00 1.00 H new ATOM 0 HA3 GLY A 22 -17.876 6.171 7.203 1.00 1.00 H new ATOM 358 N SER A 23 -17.590 5.615 3.993 1.00 1.00 N ATOM 359 CA SER A 23 -17.877 4.655 2.961 1.00 1.00 C ATOM 360 C SER A 23 -16.745 3.636 2.901 1.00 1.00 C ATOM 361 O SER A 23 -15.586 3.981 3.099 1.00 1.00 O ATOM 362 CB SER A 23 -17.990 5.340 1.595 1.00 1.00 C ATOM 363 OG SER A 23 -18.910 6.417 1.615 1.00 1.00 O ATOM 0 H SER A 23 -17.210 6.502 3.661 1.00 1.00 H new ATOM 0 HA SER A 23 -18.824 4.169 3.194 1.00 1.00 H new ATOM 0 HB2 SER A 23 -17.009 5.707 1.291 1.00 1.00 H new ATOM 0 HB3 SER A 23 -18.303 4.610 0.848 1.00 1.00 H new ATOM 0 HG SER A 23 -18.668 7.067 0.922 1.00 1.00 H new ATOM 369 N THR A 24 -17.062 2.374 2.671 1.00 1.00 N ATOM 370 CA THR A 24 -16.011 1.362 2.514 1.00 1.00 C ATOM 371 C THR A 24 -15.144 1.777 1.326 1.00 1.00 C ATOM 372 O THR A 24 -13.943 1.514 1.253 1.00 1.00 O ATOM 373 CB THR A 24 -16.628 -0.023 2.268 1.00 1.00 C ATOM 374 OG1 THR A 24 -17.626 -0.266 3.266 1.00 1.00 O ATOM 375 CG2 THR A 24 -15.581 -1.125 2.310 1.00 1.00 C ATOM 0 H THR A 24 -18.016 2.022 2.589 1.00 1.00 H new ATOM 0 HA THR A 24 -15.410 1.297 3.421 1.00 1.00 H new ATOM 0 HB THR A 24 -17.071 -0.031 1.272 1.00 1.00 H new ATOM 0 HG1 THR A 24 -18.029 -1.147 3.118 1.00 1.00 H new ATOM 0 HG21 THR A 24 -16.059 -2.088 2.131 1.00 1.00 H new ATOM 0 HG22 THR A 24 -14.831 -0.944 1.540 1.00 1.00 H new ATOM 0 HG23 THR A 24 -15.101 -1.134 3.289 1.00 1.00 H new ATOM 383 N GLU A 25 -15.812 2.494 0.434 1.00 1.00 N ATOM 384 CA GLU A 25 -15.235 3.066 -0.771 1.00 1.00 C ATOM 385 C GLU A 25 -14.006 3.929 -0.451 1.00 1.00 C ATOM 386 O GLU A 25 -12.923 3.713 -0.990 1.00 1.00 O ATOM 387 CB GLU A 25 -16.289 3.966 -1.422 1.00 1.00 C ATOM 388 CG GLU A 25 -17.692 3.374 -1.502 1.00 1.00 C ATOM 389 CD GLU A 25 -17.760 2.048 -2.235 1.00 1.00 C ATOM 390 OE1 GLU A 25 -17.518 1.004 -1.587 1.00 1.00 O ATOM 391 OE2 GLU A 25 -18.096 2.037 -3.433 1.00 1.00 O ATOM 0 H GLU A 25 -16.806 2.700 0.534 1.00 1.00 H new ATOM 0 HA GLU A 25 -14.929 2.253 -1.429 1.00 1.00 H new ATOM 0 HB2 GLU A 25 -16.338 4.901 -0.865 1.00 1.00 H new ATOM 0 HB3 GLU A 25 -15.959 4.213 -2.431 1.00 1.00 H new ATOM 0 HG2 GLU A 25 -18.077 3.239 -0.491 1.00 1.00 H new ATOM 0 HG3 GLU A 25 -18.349 4.087 -2.000 1.00 1.00 H new ATOM 398 N VAL A 26 -14.192 4.904 0.453 1.00 1.00 N ATOM 399 CA VAL A 26 -13.115 5.827 0.843 1.00 1.00 C ATOM 400 C VAL A 26 -11.917 5.099 1.432 1.00 1.00 C ATOM 401 O VAL A 26 -10.782 5.529 1.259 1.00 1.00 O ATOM 402 CB VAL A 26 -13.580 6.907 1.866 1.00 1.00 C ATOM 403 CG1 VAL A 26 -13.826 6.326 3.258 1.00 1.00 C ATOM 404 CG2 VAL A 26 -12.552 8.029 1.959 1.00 1.00 C ATOM 0 H VAL A 26 -15.079 5.073 0.928 1.00 1.00 H new ATOM 0 HA VAL A 26 -12.826 6.320 -0.085 1.00 1.00 H new ATOM 0 HB VAL A 26 -14.527 7.301 1.498 1.00 1.00 H new ATOM 0 HG11 VAL A 26 -14.148 7.120 3.932 1.00 1.00 H new ATOM 0 HG12 VAL A 26 -14.601 5.562 3.201 1.00 1.00 H new ATOM 0 HG13 VAL A 26 -12.905 5.882 3.635 1.00 1.00 H new ATOM 0 HG21 VAL A 26 -12.892 8.775 2.677 1.00 1.00 H new ATOM 0 HG22 VAL A 26 -11.596 7.620 2.285 1.00 1.00 H new ATOM 0 HG23 VAL A 26 -12.433 8.495 0.981 1.00 1.00 H new ATOM 414 N GLN A 27 -12.161 3.971 2.075 1.00 1.00 N ATOM 415 CA GLN A 27 -11.080 3.232 2.712 1.00 1.00 C ATOM 416 C GLN A 27 -10.258 2.460 1.685 1.00 1.00 C ATOM 417 O GLN A 27 -9.037 2.380 1.788 1.00 1.00 O ATOM 418 CB GLN A 27 -11.627 2.323 3.799 1.00 1.00 C ATOM 419 CG GLN A 27 -12.400 3.093 4.858 1.00 1.00 C ATOM 420 CD GLN A 27 -12.996 2.193 5.919 1.00 1.00 C ATOM 421 OE1 GLN A 27 -14.111 1.713 5.788 1.00 1.00 O ATOM 422 NE2 GLN A 27 -12.253 1.956 6.980 1.00 1.00 N ATOM 0 H GLN A 27 -13.085 3.549 2.171 1.00 1.00 H new ATOM 0 HA GLN A 27 -10.406 3.946 3.185 1.00 1.00 H new ATOM 0 HB2 GLN A 27 -12.278 1.574 3.349 1.00 1.00 H new ATOM 0 HB3 GLN A 27 -10.803 1.787 4.271 1.00 1.00 H new ATOM 0 HG2 GLN A 27 -11.736 3.816 5.332 1.00 1.00 H new ATOM 0 HG3 GLN A 27 -13.198 3.660 4.379 1.00 1.00 H new ATOM 0 HE21 GLN A 27 -11.326 2.374 7.057 1.00 1.00 H new ATOM 0 HE22 GLN A 27 -12.605 1.355 7.725 1.00 1.00 H new ATOM 431 N VAL A 28 -10.926 1.892 0.694 1.00 1.00 N ATOM 432 CA VAL A 28 -10.228 1.208 -0.378 1.00 1.00 C ATOM 433 C VAL A 28 -9.559 2.273 -1.249 1.00 1.00 C ATOM 434 O VAL A 28 -8.498 2.062 -1.842 1.00 1.00 O ATOM 435 CB VAL A 28 -11.191 0.330 -1.194 1.00 1.00 C ATOM 436 CG1 VAL A 28 -10.501 -0.315 -2.387 1.00 1.00 C ATOM 437 CG2 VAL A 28 -11.808 -0.731 -0.294 1.00 1.00 C ATOM 0 H VAL A 28 -11.943 1.891 0.611 1.00 1.00 H new ATOM 0 HA VAL A 28 -9.473 0.536 0.029 1.00 1.00 H new ATOM 0 HB VAL A 28 -11.978 0.972 -1.589 1.00 1.00 H new ATOM 0 HG11 VAL A 28 -11.218 -0.926 -2.935 1.00 1.00 H new ATOM 0 HG12 VAL A 28 -10.109 0.461 -3.044 1.00 1.00 H new ATOM 0 HG13 VAL A 28 -9.681 -0.943 -2.038 1.00 1.00 H new ATOM 0 HG21 VAL A 28 -12.490 -1.351 -0.877 1.00 1.00 H new ATOM 0 HG22 VAL A 28 -11.019 -1.355 0.126 1.00 1.00 H new ATOM 0 HG23 VAL A 28 -12.358 -0.248 0.514 1.00 1.00 H new ATOM 447 N ALA A 29 -10.186 3.444 -1.290 1.00 1.00 N ATOM 448 CA ALA A 29 -9.632 4.576 -2.010 1.00 1.00 C ATOM 449 C ALA A 29 -8.352 5.029 -1.319 1.00 1.00 C ATOM 450 O ALA A 29 -7.333 5.271 -1.961 1.00 1.00 O ATOM 451 CB ALA A 29 -10.624 5.724 -2.068 1.00 1.00 C ATOM 0 H ALA A 29 -11.078 3.630 -0.832 1.00 1.00 H new ATOM 0 HA ALA A 29 -9.413 4.269 -3.033 1.00 1.00 H new ATOM 0 HB1 ALA A 29 -10.183 6.559 -2.613 1.00 1.00 H new ATOM 0 HB2 ALA A 29 -11.530 5.396 -2.577 1.00 1.00 H new ATOM 0 HB3 ALA A 29 -10.872 6.042 -1.055 1.00 1.00 H new ATOM 457 N LEU A 30 -8.395 5.106 0.007 1.00 1.00 N ATOM 458 CA LEU A 30 -7.217 5.515 0.755 1.00 1.00 C ATOM 459 C LEU A 30 -6.185 4.382 0.775 1.00 1.00 C ATOM 460 O LEU A 30 -4.986 4.629 0.854 1.00 1.00 O ATOM 461 CB LEU A 30 -7.580 6.030 2.167 1.00 1.00 C ATOM 462 CG LEU A 30 -8.028 4.999 3.225 1.00 1.00 C ATOM 463 CD1 LEU A 30 -6.841 4.310 3.894 1.00 1.00 C ATOM 464 CD2 LEU A 30 -8.890 5.690 4.280 1.00 1.00 C ATOM 0 H LEU A 30 -9.216 4.895 0.574 1.00 1.00 H new ATOM 0 HA LEU A 30 -6.759 6.363 0.247 1.00 1.00 H new ATOM 0 HB2 LEU A 30 -6.712 6.558 2.563 1.00 1.00 H new ATOM 0 HB3 LEU A 30 -8.378 6.765 2.059 1.00 1.00 H new ATOM 0 HG LEU A 30 -8.607 4.229 2.715 1.00 1.00 H new ATOM 0 HD11 LEU A 30 -7.204 3.593 4.631 1.00 1.00 H new ATOM 0 HD12 LEU A 30 -6.251 3.788 3.140 1.00 1.00 H new ATOM 0 HD13 LEU A 30 -6.219 5.056 4.389 1.00 1.00 H new ATOM 0 HD21 LEU A 30 -9.206 4.961 5.026 1.00 1.00 H new ATOM 0 HD22 LEU A 30 -8.312 6.477 4.764 1.00 1.00 H new ATOM 0 HD23 LEU A 30 -9.769 6.125 3.804 1.00 1.00 H new ATOM 476 N LEU A 31 -6.652 3.140 0.659 1.00 1.00 N ATOM 477 CA LEU A 31 -5.747 2.007 0.616 1.00 1.00 C ATOM 478 C LEU A 31 -4.943 2.088 -0.696 1.00 1.00 C ATOM 479 O LEU A 31 -3.717 2.077 -0.691 1.00 1.00 O ATOM 480 CB LEU A 31 -6.530 0.672 0.808 1.00 1.00 C ATOM 481 CG LEU A 31 -6.965 -0.169 -0.439 1.00 1.00 C ATOM 482 CD1 LEU A 31 -5.799 -0.777 -1.200 1.00 1.00 C ATOM 483 CD2 LEU A 31 -7.890 -1.293 0.000 1.00 1.00 C ATOM 0 H LEU A 31 -7.641 2.900 0.594 1.00 1.00 H new ATOM 0 HA LEU A 31 -5.034 2.033 1.440 1.00 1.00 H new ATOM 0 HB2 LEU A 31 -5.918 0.025 1.437 1.00 1.00 H new ATOM 0 HB3 LEU A 31 -7.433 0.905 1.373 1.00 1.00 H new ATOM 0 HG LEU A 31 -7.468 0.525 -1.112 1.00 1.00 H new ATOM 0 HD11 LEU A 31 -6.176 -1.345 -2.050 1.00 1.00 H new ATOM 0 HD12 LEU A 31 -5.143 0.017 -1.556 1.00 1.00 H new ATOM 0 HD13 LEU A 31 -5.240 -1.440 -0.540 1.00 1.00 H new ATOM 0 HD21 LEU A 31 -8.191 -1.877 -0.870 1.00 1.00 H new ATOM 0 HD22 LEU A 31 -7.369 -1.938 0.707 1.00 1.00 H new ATOM 0 HD23 LEU A 31 -8.774 -0.871 0.478 1.00 1.00 H new ATOM 495 N THR A 32 -5.650 2.294 -1.801 1.00 1.00 N ATOM 496 CA THR A 32 -5.031 2.389 -3.129 1.00 1.00 C ATOM 497 C THR A 32 -4.148 3.639 -3.253 1.00 1.00 C ATOM 498 O THR A 32 -3.058 3.588 -3.826 1.00 1.00 O ATOM 499 CB THR A 32 -6.116 2.400 -4.222 1.00 1.00 C ATOM 500 OG1 THR A 32 -6.998 1.285 -4.032 1.00 1.00 O ATOM 501 CG2 THR A 32 -5.511 2.327 -5.614 1.00 1.00 C ATOM 0 H THR A 32 -6.664 2.400 -1.808 1.00 1.00 H new ATOM 0 HA THR A 32 -4.394 1.514 -3.261 1.00 1.00 H new ATOM 0 HB THR A 32 -6.665 3.338 -4.139 1.00 1.00 H new ATOM 0 HG1 THR A 32 -7.594 1.465 -3.275 1.00 1.00 H new ATOM 0 HG21 THR A 32 -6.308 2.337 -6.358 1.00 1.00 H new ATOM 0 HG22 THR A 32 -4.856 3.184 -5.772 1.00 1.00 H new ATOM 0 HG23 THR A 32 -4.934 1.407 -5.712 1.00 1.00 H new ATOM 509 N LEU A 33 -4.619 4.756 -2.707 1.00 1.00 N ATOM 510 CA LEU A 33 -3.862 6.014 -2.726 1.00 1.00 C ATOM 511 C LEU A 33 -2.571 5.825 -1.915 1.00 1.00 C ATOM 512 O LEU A 33 -1.497 6.288 -2.303 1.00 1.00 O ATOM 513 CB LEU A 33 -4.756 7.140 -2.163 1.00 1.00 C ATOM 514 CG LEU A 33 -4.328 8.607 -2.396 1.00 1.00 C ATOM 515 CD1 LEU A 33 -3.134 9.004 -1.540 1.00 1.00 C ATOM 516 CD2 LEU A 33 -4.048 8.879 -3.865 1.00 1.00 C ATOM 0 H LEU A 33 -5.525 4.821 -2.243 1.00 1.00 H new ATOM 0 HA LEU A 33 -3.577 6.295 -3.740 1.00 1.00 H new ATOM 0 HB2 LEU A 33 -5.753 7.014 -2.585 1.00 1.00 H new ATOM 0 HB3 LEU A 33 -4.844 6.987 -1.087 1.00 1.00 H new ATOM 0 HG LEU A 33 -5.170 9.227 -2.088 1.00 1.00 H new ATOM 0 HD11 LEU A 33 -2.872 10.043 -1.740 1.00 1.00 H new ATOM 0 HD12 LEU A 33 -3.388 8.890 -0.486 1.00 1.00 H new ATOM 0 HD13 LEU A 33 -2.285 8.363 -1.780 1.00 1.00 H new ATOM 0 HD21 LEU A 33 -3.750 9.920 -3.992 1.00 1.00 H new ATOM 0 HD22 LEU A 33 -3.245 8.227 -4.209 1.00 1.00 H new ATOM 0 HD23 LEU A 33 -4.948 8.686 -4.449 1.00 1.00 H new ATOM 528 N ARG A 34 -2.680 5.101 -0.806 1.00 1.00 N ATOM 529 CA ARG A 34 -1.520 4.800 0.026 1.00 1.00 C ATOM 530 C ARG A 34 -0.558 3.867 -0.732 1.00 1.00 C ATOM 531 O ARG A 34 0.641 4.137 -0.809 1.00 1.00 O ATOM 532 CB ARG A 34 -1.971 4.159 1.340 1.00 1.00 C ATOM 533 CG ARG A 34 -0.834 3.730 2.247 1.00 1.00 C ATOM 534 CD ARG A 34 -1.367 3.204 3.580 1.00 1.00 C ATOM 535 NE ARG A 34 -2.012 4.264 4.375 1.00 1.00 N ATOM 536 CZ ARG A 34 -2.449 4.130 5.605 1.00 1.00 C ATOM 537 NH1 ARG A 34 -2.332 3.010 6.238 1.00 1.00 N ATOM 538 NH2 ARG A 34 -2.997 5.137 6.201 1.00 1.00 N ATOM 0 H ARG A 34 -3.558 4.712 -0.463 1.00 1.00 H new ATOM 0 HA ARG A 34 -0.994 5.726 0.257 1.00 1.00 H new ATOM 0 HB2 ARG A 34 -2.602 4.866 1.878 1.00 1.00 H new ATOM 0 HB3 ARG A 34 -2.588 3.289 1.114 1.00 1.00 H new ATOM 0 HG2 ARG A 34 -0.244 2.956 1.756 1.00 1.00 H new ATOM 0 HG3 ARG A 34 -0.167 4.574 2.425 1.00 1.00 H new ATOM 0 HD2 ARG A 34 -2.084 2.404 3.393 1.00 1.00 H new ATOM 0 HD3 ARG A 34 -0.547 2.770 4.152 1.00 1.00 H new ATOM 0 HE ARG A 34 -2.128 5.176 3.933 1.00 1.00 H new ATOM 0 HH11 ARG A 34 -1.894 2.210 5.782 1.00 1.00 H new ATOM 0 HH12 ARG A 34 -2.678 2.926 7.194 1.00 1.00 H new ATOM 0 HH21 ARG A 34 -3.088 6.029 5.715 1.00 1.00 H new ATOM 0 HH22 ARG A 34 -3.339 5.040 7.157 1.00 1.00 H new ATOM 552 N ILE A 35 -1.101 2.782 -1.308 1.00 1.00 N ATOM 553 CA ILE A 35 -0.296 1.824 -2.088 1.00 1.00 C ATOM 554 C ILE A 35 0.503 2.562 -3.162 1.00 1.00 C ATOM 555 O ILE A 35 1.710 2.370 -3.308 1.00 1.00 O ATOM 556 CB ILE A 35 -1.171 0.757 -2.806 1.00 1.00 C ATOM 557 CG1 ILE A 35 -2.091 0.017 -1.826 1.00 1.00 C ATOM 558 CG2 ILE A 35 -0.306 -0.237 -3.579 1.00 1.00 C ATOM 559 CD1 ILE A 35 -1.378 -0.715 -0.708 1.00 1.00 C ATOM 0 H ILE A 35 -2.091 2.546 -1.249 1.00 1.00 H new ATOM 0 HA ILE A 35 0.360 1.324 -1.376 1.00 1.00 H new ATOM 0 HB ILE A 35 -1.803 1.291 -3.516 1.00 1.00 H new ATOM 0 HG12 ILE A 35 -2.782 0.736 -1.386 1.00 1.00 H new ATOM 0 HG13 ILE A 35 -2.691 -0.701 -2.386 1.00 1.00 H new ATOM 0 HG21 ILE A 35 -0.945 -0.971 -4.070 1.00 1.00 H new ATOM 0 HG22 ILE A 35 0.278 0.296 -4.329 1.00 1.00 H new ATOM 0 HG23 ILE A 35 0.367 -0.746 -2.890 1.00 1.00 H new ATOM 0 HD11 ILE A 35 -2.112 -1.206 -0.069 1.00 1.00 H new ATOM 0 HD12 ILE A 35 -0.708 -1.463 -1.132 1.00 1.00 H new ATOM 0 HD13 ILE A 35 -0.801 -0.004 -0.117 1.00 1.00 H new ATOM 571 N ASN A 36 -0.185 3.434 -3.893 1.00 1.00 N ATOM 572 CA ASN A 36 0.448 4.206 -4.956 1.00 1.00 C ATOM 573 C ASN A 36 1.517 5.157 -4.422 1.00 1.00 C ATOM 574 O ASN A 36 2.651 5.135 -4.873 1.00 1.00 O ATOM 575 CB ASN A 36 -0.570 5.047 -5.734 1.00 1.00 C ATOM 576 CG ASN A 36 -1.249 4.288 -6.853 1.00 1.00 C ATOM 577 OD1 ASN A 36 -0.766 4.250 -7.972 1.00 1.00 O ATOM 578 ND2 ASN A 36 -2.385 3.694 -6.567 1.00 1.00 N ATOM 0 H ASN A 36 -1.180 3.623 -3.769 1.00 1.00 H new ATOM 0 HA ASN A 36 0.906 3.467 -5.613 1.00 1.00 H new ATOM 0 HB2 ASN A 36 -1.328 5.416 -5.043 1.00 1.00 H new ATOM 0 HB3 ASN A 36 -0.066 5.919 -6.150 1.00 1.00 H new ATOM 0 HD21 ASN A 36 -2.889 3.182 -7.291 1.00 1.00 H new ATOM 0 HD22 ASN A 36 -2.763 3.744 -5.621 1.00 1.00 H new ATOM 585 N ARG A 37 1.195 5.958 -3.414 1.00 1.00 N ATOM 586 CA ARG A 37 2.176 6.937 -2.955 1.00 1.00 C ATOM 587 C ARG A 37 3.368 6.287 -2.262 1.00 1.00 C ATOM 588 O ARG A 37 4.478 6.800 -2.349 1.00 1.00 O ATOM 589 CB ARG A 37 1.552 8.013 -2.074 1.00 1.00 C ATOM 590 CG ARG A 37 0.495 8.824 -2.809 1.00 1.00 C ATOM 591 CD ARG A 37 1.002 9.367 -4.154 1.00 1.00 C ATOM 592 NE ARG A 37 2.206 10.209 -4.028 1.00 1.00 N ATOM 593 CZ ARG A 37 2.254 11.500 -4.267 1.00 1.00 C ATOM 594 NH1 ARG A 37 1.196 12.151 -4.631 1.00 1.00 N ATOM 595 NH2 ARG A 37 3.378 12.133 -4.146 1.00 1.00 N ATOM 0 H ARG A 37 0.305 5.955 -2.917 1.00 1.00 H new ATOM 0 HA ARG A 37 2.551 7.426 -3.854 1.00 1.00 H new ATOM 0 HB2 ARG A 37 1.103 7.546 -1.198 1.00 1.00 H new ATOM 0 HB3 ARG A 37 2.334 8.682 -1.714 1.00 1.00 H new ATOM 0 HG2 ARG A 37 -0.383 8.201 -2.980 1.00 1.00 H new ATOM 0 HG3 ARG A 37 0.178 9.656 -2.181 1.00 1.00 H new ATOM 0 HD2 ARG A 37 1.221 8.530 -4.816 1.00 1.00 H new ATOM 0 HD3 ARG A 37 0.209 9.948 -4.625 1.00 1.00 H new ATOM 0 HE ARG A 37 3.069 9.753 -3.732 1.00 1.00 H new ATOM 0 HH11 ARG A 37 0.307 11.662 -4.736 1.00 1.00 H new ATOM 0 HH12 ARG A 37 1.251 13.153 -4.812 1.00 1.00 H new ATOM 0 HH21 ARG A 37 4.220 11.629 -3.867 1.00 1.00 H new ATOM 0 HH22 ARG A 37 3.421 13.135 -4.330 1.00 1.00 H new ATOM 609 N LEU A 38 3.164 5.154 -1.595 1.00 1.00 N ATOM 610 CA LEU A 38 4.269 4.487 -0.939 1.00 1.00 C ATOM 611 C LEU A 38 5.268 3.992 -1.974 1.00 1.00 C ATOM 612 O LEU A 38 6.451 4.318 -1.927 1.00 1.00 O ATOM 613 CB LEU A 38 3.766 3.311 -0.114 1.00 1.00 C ATOM 614 CG LEU A 38 2.952 3.671 1.129 1.00 1.00 C ATOM 615 CD1 LEU A 38 2.485 2.409 1.835 1.00 1.00 C ATOM 616 CD2 LEU A 38 3.767 4.537 2.077 1.00 1.00 C ATOM 0 H LEU A 38 2.260 4.691 -1.499 1.00 1.00 H new ATOM 0 HA LEU A 38 4.758 5.201 -0.277 1.00 1.00 H new ATOM 0 HB2 LEU A 38 3.154 2.677 -0.755 1.00 1.00 H new ATOM 0 HB3 LEU A 38 4.625 2.716 0.197 1.00 1.00 H new ATOM 0 HG LEU A 38 2.078 4.241 0.813 1.00 1.00 H new ATOM 0 HD11 LEU A 38 1.907 2.679 2.718 1.00 1.00 H new ATOM 0 HD12 LEU A 38 1.862 1.823 1.159 1.00 1.00 H new ATOM 0 HD13 LEU A 38 3.351 1.818 2.135 1.00 1.00 H new ATOM 0 HD21 LEU A 38 3.167 4.780 2.954 1.00 1.00 H new ATOM 0 HD22 LEU A 38 4.660 3.995 2.387 1.00 1.00 H new ATOM 0 HD23 LEU A 38 4.058 5.457 1.570 1.00 1.00 H new ATOM 628 N SER A 39 4.768 3.250 -2.943 1.00 1.00 N ATOM 629 CA SER A 39 5.619 2.700 -3.985 1.00 1.00 C ATOM 630 C SER A 39 6.178 3.793 -4.904 1.00 1.00 C ATOM 631 O SER A 39 7.361 3.773 -5.234 1.00 1.00 O ATOM 632 CB SER A 39 4.856 1.647 -4.794 1.00 1.00 C ATOM 633 OG SER A 39 3.607 2.144 -5.251 1.00 1.00 O ATOM 0 H SER A 39 3.780 3.014 -3.032 1.00 1.00 H new ATOM 0 HA SER A 39 6.470 2.222 -3.499 1.00 1.00 H new ATOM 0 HB2 SER A 39 5.459 1.336 -5.647 1.00 1.00 H new ATOM 0 HB3 SER A 39 4.693 0.762 -4.179 1.00 1.00 H new ATOM 0 HG SER A 39 2.949 2.090 -4.527 1.00 1.00 H new ATOM 639 N GLU A 40 5.367 4.791 -5.257 1.00 1.00 N ATOM 640 CA GLU A 40 5.849 5.850 -6.150 1.00 1.00 C ATOM 641 C GLU A 40 6.792 6.813 -5.417 1.00 1.00 C ATOM 642 O GLU A 40 7.491 7.608 -6.045 1.00 1.00 O ATOM 643 CB GLU A 40 4.701 6.591 -6.834 1.00 1.00 C ATOM 644 CG GLU A 40 3.812 5.662 -7.655 1.00 1.00 C ATOM 645 CD GLU A 40 4.573 4.907 -8.744 1.00 1.00 C ATOM 646 OE1 GLU A 40 5.167 3.848 -8.442 1.00 1.00 O ATOM 647 OE2 GLU A 40 4.585 5.376 -9.906 1.00 1.00 O ATOM 0 H GLU A 40 4.399 4.890 -4.950 1.00 1.00 H new ATOM 0 HA GLU A 40 6.424 5.367 -6.940 1.00 1.00 H new ATOM 0 HB2 GLU A 40 4.096 7.093 -6.079 1.00 1.00 H new ATOM 0 HB3 GLU A 40 5.109 7.366 -7.483 1.00 1.00 H new ATOM 0 HG2 GLU A 40 3.336 4.943 -6.989 1.00 1.00 H new ATOM 0 HG3 GLU A 40 3.015 6.246 -8.116 1.00 1.00 H new ATOM 654 N HIS A 41 6.815 6.766 -4.079 1.00 1.00 N ATOM 655 CA HIS A 41 7.769 7.582 -3.353 1.00 1.00 C ATOM 656 C HIS A 41 9.105 6.837 -3.348 1.00 1.00 C ATOM 657 O HIS A 41 10.161 7.448 -3.442 1.00 1.00 O ATOM 658 CB HIS A 41 7.322 7.912 -1.931 1.00 1.00 C ATOM 659 CG HIS A 41 6.467 9.145 -1.842 1.00 1.00 C ATOM 660 ND1 HIS A 41 5.267 9.202 -1.169 1.00 1.00 N ATOM 661 CD2 HIS A 41 6.664 10.388 -2.355 1.00 1.00 C ATOM 662 CE1 HIS A 41 4.783 10.443 -1.286 1.00 1.00 C ATOM 663 NE2 HIS A 41 5.590 11.202 -1.999 1.00 1.00 N ATOM 0 H HIS A 41 6.203 6.189 -3.502 1.00 1.00 H new ATOM 0 HA HIS A 41 7.858 8.546 -3.855 1.00 1.00 H new ATOM 0 HB2 HIS A 41 6.767 7.065 -1.527 1.00 1.00 H new ATOM 0 HB3 HIS A 41 8.203 8.044 -1.303 1.00 1.00 H new ATOM 0 HD1 HIS A 41 4.824 8.432 -0.668 1.00 1.00 H new ATOM 0 HD2 HIS A 41 7.516 10.696 -2.944 1.00 1.00 H new ATOM 0 HE1 HIS A 41 3.853 10.779 -0.853 1.00 1.00 H new ATOM 671 N LEU A 42 9.064 5.500 -3.262 1.00 1.00 N ATOM 672 CA LEU A 42 10.302 4.716 -3.323 1.00 1.00 C ATOM 673 C LEU A 42 10.827 4.691 -4.774 1.00 1.00 C ATOM 674 O LEU A 42 11.958 4.309 -5.038 1.00 1.00 O ATOM 675 CB LEU A 42 10.113 3.293 -2.782 1.00 1.00 C ATOM 676 CG LEU A 42 10.322 3.139 -1.263 1.00 1.00 C ATOM 677 CD1 LEU A 42 9.261 3.892 -0.467 1.00 1.00 C ATOM 678 CD2 LEU A 42 10.326 1.668 -0.876 1.00 1.00 C ATOM 0 H LEU A 42 8.211 4.952 -3.153 1.00 1.00 H new ATOM 0 HA LEU A 42 11.040 5.197 -2.681 1.00 1.00 H new ATOM 0 HB2 LEU A 42 9.106 2.957 -3.031 1.00 1.00 H new ATOM 0 HB3 LEU A 42 10.807 2.629 -3.298 1.00 1.00 H new ATOM 0 HG LEU A 42 11.290 3.575 -1.018 1.00 1.00 H new ATOM 0 HD11 LEU A 42 9.443 3.759 0.599 1.00 1.00 H new ATOM 0 HD12 LEU A 42 9.306 4.953 -0.713 1.00 1.00 H new ATOM 0 HD13 LEU A 42 8.274 3.503 -0.718 1.00 1.00 H new ATOM 0 HD21 LEU A 42 10.475 1.575 0.200 1.00 1.00 H new ATOM 0 HD22 LEU A 42 9.373 1.217 -1.151 1.00 1.00 H new ATOM 0 HD23 LEU A 42 11.134 1.156 -1.399 1.00 1.00 H new ATOM 690 N LYS A 43 9.964 5.101 -5.706 1.00 1.00 N ATOM 691 CA LYS A 43 10.321 5.223 -7.125 1.00 1.00 C ATOM 692 C LYS A 43 11.164 6.489 -7.307 1.00 1.00 C ATOM 693 O LYS A 43 11.771 6.737 -8.354 1.00 1.00 O ATOM 694 CB LYS A 43 9.037 5.312 -7.936 1.00 1.00 C ATOM 695 CG LYS A 43 9.233 5.391 -9.432 1.00 1.00 C ATOM 696 CD LYS A 43 7.890 5.468 -10.130 1.00 1.00 C ATOM 697 CE LYS A 43 8.033 5.443 -11.639 1.00 1.00 C ATOM 698 NZ LYS A 43 8.673 4.187 -12.113 1.00 1.00 N ATOM 0 H LYS A 43 8.998 5.358 -5.501 1.00 1.00 H new ATOM 0 HA LYS A 43 10.898 4.362 -7.463 1.00 1.00 H new ATOM 0 HB2 LYS A 43 8.421 4.441 -7.711 1.00 1.00 H new ATOM 0 HB3 LYS A 43 8.479 6.190 -7.611 1.00 1.00 H new ATOM 0 HG2 LYS A 43 9.832 6.266 -9.682 1.00 1.00 H new ATOM 0 HG3 LYS A 43 9.783 4.517 -9.781 1.00 1.00 H new ATOM 0 HD2 LYS A 43 7.267 4.633 -9.811 1.00 1.00 H new ATOM 0 HD3 LYS A 43 7.377 6.381 -9.829 1.00 1.00 H new ATOM 0 HE2 LYS A 43 7.050 5.546 -12.099 1.00 1.00 H new ATOM 0 HE3 LYS A 43 8.627 6.298 -11.962 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 8.513 4.080 -13.135 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 9.695 4.226 -11.925 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 8.259 3.376 -11.611 1.00 1.00 H new ATOM 712 N VAL A 44 11.160 7.288 -6.247 1.00 1.00 N ATOM 713 CA VAL A 44 11.912 8.520 -6.175 1.00 1.00 C ATOM 714 C VAL A 44 13.150 8.272 -5.311 1.00 1.00 C ATOM 715 O VAL A 44 14.275 8.589 -5.694 1.00 1.00 O ATOM 716 CB VAL A 44 11.042 9.638 -5.557 1.00 1.00 C ATOM 717 CG1 VAL A 44 11.842 10.914 -5.366 1.00 1.00 C ATOM 718 CG2 VAL A 44 9.816 9.907 -6.419 1.00 1.00 C ATOM 0 H VAL A 44 10.623 7.089 -5.403 1.00 1.00 H new ATOM 0 HA VAL A 44 12.211 8.838 -7.174 1.00 1.00 H new ATOM 0 HB VAL A 44 10.710 9.295 -4.577 1.00 1.00 H new ATOM 0 HG11 VAL A 44 11.203 11.682 -4.930 1.00 1.00 H new ATOM 0 HG12 VAL A 44 12.683 10.720 -4.700 1.00 1.00 H new ATOM 0 HG13 VAL A 44 12.215 11.257 -6.331 1.00 1.00 H new ATOM 0 HG21 VAL A 44 9.218 10.697 -5.965 1.00 1.00 H new ATOM 0 HG22 VAL A 44 10.132 10.218 -7.415 1.00 1.00 H new ATOM 0 HG23 VAL A 44 9.218 8.999 -6.495 1.00 1.00 H new ATOM 728 N HIS A 45 12.910 7.667 -4.147 1.00 1.00 N ATOM 729 CA HIS A 45 13.969 7.321 -3.200 1.00 1.00 C ATOM 730 C HIS A 45 15.008 6.385 -3.822 1.00 1.00 C ATOM 731 O HIS A 45 14.710 5.601 -4.715 1.00 1.00 O ATOM 732 CB HIS A 45 13.365 6.632 -1.970 1.00 1.00 C ATOM 733 CG HIS A 45 12.692 7.559 -1.004 1.00 1.00 C ATOM 734 ND1 HIS A 45 11.398 8.011 -1.148 1.00 1.00 N ATOM 735 CD2 HIS A 45 13.146 8.096 0.155 1.00 1.00 C ATOM 736 CE1 HIS A 45 11.113 8.787 -0.095 1.00 1.00 C ATOM 737 NE2 HIS A 45 12.138 8.871 0.722 1.00 1.00 N ATOM 0 H HIS A 45 11.975 7.403 -3.835 1.00 1.00 H new ATOM 0 HA HIS A 45 14.464 8.250 -2.916 1.00 1.00 H new ATOM 0 HB2 HIS A 45 12.641 5.889 -2.305 1.00 1.00 H new ATOM 0 HB3 HIS A 45 14.155 6.094 -1.447 1.00 1.00 H new ATOM 0 HD1 HIS A 45 10.769 7.793 -1.920 1.00 1.00 H new ATOM 0 HD2 HIS A 45 14.131 7.947 0.571 1.00 1.00 H new ATOM 0 HE1 HIS A 45 10.165 9.279 0.062 1.00 1.00 H new ATOM 745 N LYS A 46 16.230 6.475 -3.335 1.00 1.00 N ATOM 746 CA LYS A 46 17.302 5.619 -3.829 1.00 1.00 C ATOM 747 C LYS A 46 17.286 4.281 -3.099 1.00 1.00 C ATOM 748 O LYS A 46 17.149 3.221 -3.702 1.00 1.00 O ATOM 749 CB LYS A 46 18.668 6.266 -3.607 1.00 1.00 C ATOM 750 CG LYS A 46 18.894 7.562 -4.365 1.00 1.00 C ATOM 751 CD LYS A 46 20.311 8.072 -4.138 1.00 1.00 C ATOM 752 CE LYS A 46 20.590 9.381 -4.867 1.00 1.00 C ATOM 753 NZ LYS A 46 20.442 9.255 -6.345 1.00 1.00 N ATOM 0 H LYS A 46 16.509 7.127 -2.602 1.00 1.00 H new ATOM 0 HA LYS A 46 17.137 5.472 -4.896 1.00 1.00 H new ATOM 0 HB2 LYS A 46 18.793 6.459 -2.542 1.00 1.00 H new ATOM 0 HB3 LYS A 46 19.442 5.554 -3.895 1.00 1.00 H new ATOM 0 HG2 LYS A 46 18.725 7.402 -5.430 1.00 1.00 H new ATOM 0 HG3 LYS A 46 18.174 8.312 -4.037 1.00 1.00 H new ATOM 0 HD2 LYS A 46 20.475 8.214 -3.070 1.00 1.00 H new ATOM 0 HD3 LYS A 46 21.022 7.316 -4.472 1.00 1.00 H new ATOM 0 HE2 LYS A 46 19.909 10.149 -4.501 1.00 1.00 H new ATOM 0 HE3 LYS A 46 21.601 9.715 -4.634 1.00 1.00 H new ATOM 0 HZ1 LYS A 46 20.756 10.135 -6.802 1.00 1.00 H new ATOM 0 HZ2 LYS A 46 21.022 8.462 -6.686 1.00 1.00 H new ATOM 0 HZ3 LYS A 46 19.444 9.080 -6.580 1.00 1.00 H new ATOM 767 N LYS A 47 17.420 4.340 -1.783 1.00 1.00 N ATOM 768 CA LYS A 47 17.453 3.127 -0.988 1.00 1.00 C ATOM 769 C LYS A 47 16.424 3.157 0.154 1.00 1.00 C ATOM 770 O LYS A 47 15.348 2.564 0.049 1.00 1.00 O ATOM 771 CB LYS A 47 18.862 2.916 -0.400 1.00 1.00 C ATOM 772 CG LYS A 47 19.972 2.834 -1.446 1.00 1.00 C ATOM 773 CD LYS A 47 21.332 2.548 -0.814 1.00 1.00 C ATOM 774 CE LYS A 47 22.458 2.585 -1.843 1.00 1.00 C ATOM 775 NZ LYS A 47 22.281 1.570 -2.924 1.00 1.00 N ATOM 0 H LYS A 47 17.507 5.205 -1.250 1.00 1.00 H new ATOM 0 HA LYS A 47 17.197 2.300 -1.651 1.00 1.00 H new ATOM 0 HB2 LYS A 47 19.084 3.734 0.285 1.00 1.00 H new ATOM 0 HB3 LYS A 47 18.864 1.998 0.188 1.00 1.00 H new ATOM 0 HG2 LYS A 47 19.735 2.051 -2.166 1.00 1.00 H new ATOM 0 HG3 LYS A 47 20.019 3.772 -1.999 1.00 1.00 H new ATOM 0 HD2 LYS A 47 21.530 3.282 -0.033 1.00 1.00 H new ATOM 0 HD3 LYS A 47 21.311 1.569 -0.335 1.00 1.00 H new ATOM 0 HE2 LYS A 47 22.507 3.579 -2.287 1.00 1.00 H new ATOM 0 HE3 LYS A 47 23.410 2.413 -1.341 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 23.113 1.579 -3.548 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 22.176 0.626 -2.500 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 21.430 1.797 -3.477 1.00 1.00 H new ATOM 789 N ASP A 48 16.772 3.902 1.214 1.00 1.00 N ATOM 790 CA ASP A 48 15.972 3.997 2.446 1.00 1.00 C ATOM 791 C ASP A 48 15.735 2.582 2.982 1.00 1.00 C ATOM 792 O ASP A 48 14.753 1.902 2.673 1.00 1.00 O ATOM 793 CB ASP A 48 14.702 4.826 2.270 1.00 1.00 C ATOM 794 CG ASP A 48 15.034 6.300 2.353 1.00 1.00 C ATOM 795 OD1 ASP A 48 15.886 6.757 1.555 1.00 1.00 O ATOM 796 OD2 ASP A 48 14.475 6.984 3.229 1.00 1.00 O ATOM 0 H ASP A 48 17.625 4.461 1.241 1.00 1.00 H new ATOM 0 HA ASP A 48 16.527 4.555 3.200 1.00 1.00 H new ATOM 0 HB2 ASP A 48 14.241 4.602 1.308 1.00 1.00 H new ATOM 0 HB3 ASP A 48 13.976 4.564 3.040 1.00 1.00 H new ATOM 801 N HIS A 49 16.674 2.192 3.837 1.00 1.00 N ATOM 802 CA HIS A 49 16.787 0.833 4.375 1.00 1.00 C ATOM 803 C HIS A 49 15.645 0.322 5.280 1.00 1.00 C ATOM 804 O HIS A 49 15.821 0.094 6.471 1.00 1.00 O ATOM 805 CB HIS A 49 18.149 0.669 5.058 1.00 1.00 C ATOM 806 CG HIS A 49 19.315 0.830 4.115 1.00 1.00 C ATOM 807 ND1 HIS A 49 20.093 1.966 4.034 1.00 1.00 N ATOM 808 CD2 HIS A 49 19.832 -0.037 3.203 1.00 1.00 C ATOM 809 CE1 HIS A 49 21.035 1.758 3.099 1.00 1.00 C ATOM 810 NE2 HIS A 49 20.918 0.561 2.567 1.00 1.00 N ATOM 0 H HIS A 49 17.396 2.823 4.186 1.00 1.00 H new ATOM 0 HA HIS A 49 16.692 0.190 3.500 1.00 1.00 H new ATOM 0 HB2 HIS A 49 18.236 1.402 5.860 1.00 1.00 H new ATOM 0 HB3 HIS A 49 18.199 -0.317 5.521 1.00 1.00 H new ATOM 0 HD2 HIS A 49 19.460 -1.031 3.004 1.00 1.00 H new ATOM 0 HE1 HIS A 49 21.789 2.479 2.821 1.00 1.00 H new ATOM 0 HE2 HIS A 49 21.503 0.153 1.838 1.00 1.00 H new ATOM 818 N HIS A 50 14.491 0.157 4.656 1.00 1.00 N ATOM 819 CA HIS A 50 13.277 -0.448 5.239 1.00 1.00 C ATOM 820 C HIS A 50 12.315 -0.678 4.071 1.00 1.00 C ATOM 821 O HIS A 50 11.112 -0.875 4.242 1.00 1.00 O ATOM 822 CB HIS A 50 12.576 0.417 6.296 1.00 1.00 C ATOM 823 CG HIS A 50 13.141 0.310 7.683 1.00 1.00 C ATOM 824 ND1 HIS A 50 13.480 1.397 8.455 1.00 1.00 N ATOM 825 CD2 HIS A 50 13.403 -0.784 8.446 1.00 1.00 C ATOM 826 CE1 HIS A 50 13.927 0.945 9.635 1.00 1.00 C ATOM 827 NE2 HIS A 50 13.900 -0.372 9.679 1.00 1.00 N ATOM 0 H HIS A 50 14.355 0.449 3.688 1.00 1.00 H new ATOM 0 HA HIS A 50 13.568 -1.360 5.759 1.00 1.00 H new ATOM 0 HB2 HIS A 50 12.624 1.459 5.980 1.00 1.00 H new ATOM 0 HB3 HIS A 50 11.522 0.142 6.328 1.00 1.00 H new ATOM 0 HD2 HIS A 50 13.250 -1.809 8.144 1.00 1.00 H new ATOM 0 HE1 HIS A 50 14.265 1.577 10.443 1.00 1.00 H new ATOM 0 HE2 HIS A 50 14.185 -0.967 10.457 1.00 1.00 H new ATOM 835 N SER A 51 12.916 -0.705 2.883 1.00 1.00 N ATOM 836 CA SER A 51 12.220 -0.808 1.597 1.00 1.00 C ATOM 837 C SER A 51 11.120 -1.885 1.536 1.00 1.00 C ATOM 838 O SER A 51 11.387 -3.058 1.288 1.00 1.00 O ATOM 839 CB SER A 51 13.270 -1.026 0.497 1.00 1.00 C ATOM 840 OG SER A 51 14.428 -0.235 0.738 1.00 1.00 O ATOM 0 H SER A 51 13.930 -0.654 2.783 1.00 1.00 H new ATOM 0 HA SER A 51 11.681 0.128 1.449 1.00 1.00 H new ATOM 0 HB2 SER A 51 13.546 -2.080 0.456 1.00 1.00 H new ATOM 0 HB3 SER A 51 12.845 -0.770 -0.473 1.00 1.00 H new ATOM 0 HG SER A 51 14.328 0.634 0.297 1.00 1.00 H new ATOM 846 N HIS A 52 9.877 -1.437 1.791 1.00 1.00 N ATOM 847 CA HIS A 52 8.656 -2.280 1.760 1.00 1.00 C ATOM 848 C HIS A 52 8.698 -3.471 2.743 1.00 1.00 C ATOM 849 O HIS A 52 7.781 -4.288 2.762 1.00 1.00 O ATOM 850 CB HIS A 52 8.369 -2.798 0.335 1.00 1.00 C ATOM 851 CG HIS A 52 7.933 -1.735 -0.639 1.00 1.00 C ATOM 852 ND1 HIS A 52 8.473 -1.571 -1.899 1.00 1.00 N ATOM 853 CD2 HIS A 52 6.972 -0.783 -0.524 1.00 1.00 C ATOM 854 CE1 HIS A 52 7.838 -0.549 -2.493 1.00 1.00 C ATOM 855 NE2 HIS A 52 6.919 -0.038 -1.700 1.00 1.00 N ATOM 0 H HIS A 52 9.684 -0.464 2.029 1.00 1.00 H new ATOM 0 HA HIS A 52 7.848 -1.624 2.084 1.00 1.00 H new ATOM 0 HB2 HIS A 52 9.267 -3.280 -0.051 1.00 1.00 H new ATOM 0 HB3 HIS A 52 7.595 -3.563 0.389 1.00 1.00 H new ATOM 0 HD2 HIS A 52 6.347 -0.628 0.343 1.00 1.00 H new ATOM 0 HE1 HIS A 52 8.052 -0.193 -3.490 1.00 1.00 H new ATOM 0 HE2 HIS A 52 6.296 0.743 -1.905 1.00 1.00 H new ATOM 863 N ARG A 53 9.708 -3.521 3.607 1.00 1.00 N ATOM 864 CA ARG A 53 9.866 -4.636 4.556 1.00 1.00 C ATOM 865 C ARG A 53 8.767 -4.653 5.621 1.00 1.00 C ATOM 866 O ARG A 53 8.301 -5.710 6.031 1.00 1.00 O ATOM 867 CB ARG A 53 11.247 -4.559 5.203 1.00 1.00 C ATOM 868 CG ARG A 53 11.574 -5.727 6.115 1.00 1.00 C ATOM 869 CD ARG A 53 13.000 -5.621 6.644 1.00 1.00 C ATOM 870 NE ARG A 53 14.002 -5.659 5.565 1.00 1.00 N ATOM 871 CZ ARG A 53 15.195 -5.134 5.646 1.00 1.00 C ATOM 872 NH1 ARG A 53 15.587 -4.554 6.731 1.00 1.00 N ATOM 873 NH2 ARG A 53 16.002 -5.214 4.636 1.00 1.00 N ATOM 0 H ARG A 53 10.433 -2.806 3.675 1.00 1.00 H new ATOM 0 HA ARG A 53 9.773 -5.569 4.000 1.00 1.00 H new ATOM 0 HB2 ARG A 53 12.001 -4.504 4.418 1.00 1.00 H new ATOM 0 HB3 ARG A 53 11.316 -3.635 5.777 1.00 1.00 H new ATOM 0 HG2 ARG A 53 10.873 -5.750 6.949 1.00 1.00 H new ATOM 0 HG3 ARG A 53 11.452 -6.664 5.571 1.00 1.00 H new ATOM 0 HD2 ARG A 53 13.109 -4.693 7.205 1.00 1.00 H new ATOM 0 HD3 ARG A 53 13.188 -6.438 7.340 1.00 1.00 H new ATOM 0 HE ARG A 53 13.747 -6.127 4.695 1.00 1.00 H new ATOM 0 HH11 ARG A 53 14.963 -4.503 7.536 1.00 1.00 H new ATOM 0 HH12 ARG A 53 16.521 -4.147 6.783 1.00 1.00 H new ATOM 0 HH21 ARG A 53 15.705 -5.686 3.782 1.00 1.00 H new ATOM 0 HH22 ARG A 53 16.935 -4.805 4.695 1.00 1.00 H new ATOM 887 N GLY A 54 8.372 -3.481 6.079 1.00 1.00 N ATOM 888 CA GLY A 54 7.301 -3.402 7.051 1.00 1.00 C ATOM 889 C GLY A 54 5.980 -3.134 6.356 1.00 1.00 C ATOM 890 O GLY A 54 4.908 -3.238 6.946 1.00 1.00 O ATOM 0 H GLY A 54 8.769 -2.584 5.799 1.00 1.00 H new ATOM 0 HA2 GLY A 54 7.242 -4.334 7.614 1.00 1.00 H new ATOM 0 HA3 GLY A 54 7.510 -2.609 7.769 1.00 1.00 H new ATOM 894 N LEU A 55 6.063 -2.842 5.062 1.00 1.00 N ATOM 895 CA LEU A 55 4.875 -2.527 4.280 1.00 1.00 C ATOM 896 C LEU A 55 4.261 -3.787 3.682 1.00 1.00 C ATOM 897 O LEU A 55 3.323 -3.727 2.892 1.00 1.00 O ATOM 898 CB LEU A 55 5.197 -1.493 3.206 1.00 1.00 C ATOM 899 CG LEU A 55 5.656 -0.138 3.754 1.00 1.00 C ATOM 900 CD1 LEU A 55 6.020 0.802 2.618 1.00 1.00 C ATOM 901 CD2 LEU A 55 4.577 0.486 4.634 1.00 1.00 C ATOM 0 H LEU A 55 6.936 -2.817 4.536 1.00 1.00 H new ATOM 0 HA LEU A 55 4.131 -2.092 4.947 1.00 1.00 H new ATOM 0 HB2 LEU A 55 5.976 -1.892 2.556 1.00 1.00 H new ATOM 0 HB3 LEU A 55 4.312 -1.341 2.587 1.00 1.00 H new ATOM 0 HG LEU A 55 6.543 -0.304 4.366 1.00 1.00 H new ATOM 0 HD11 LEU A 55 6.344 1.759 3.027 1.00 1.00 H new ATOM 0 HD12 LEU A 55 6.828 0.367 2.030 1.00 1.00 H new ATOM 0 HD13 LEU A 55 5.150 0.956 1.980 1.00 1.00 H new ATOM 0 HD21 LEU A 55 4.926 1.447 5.011 1.00 1.00 H new ATOM 0 HD22 LEU A 55 3.670 0.634 4.048 1.00 1.00 H new ATOM 0 HD23 LEU A 55 4.363 -0.177 5.472 1.00 1.00 H new ATOM 913 N LEU A 56 4.795 -4.934 4.085 1.00 1.00 N ATOM 914 CA LEU A 56 4.265 -6.215 3.658 1.00 1.00 C ATOM 915 C LEU A 56 2.839 -6.319 4.194 1.00 1.00 C ATOM 916 O LEU A 56 1.947 -6.900 3.577 1.00 1.00 O ATOM 917 CB LEU A 56 5.139 -7.328 4.226 1.00 1.00 C ATOM 918 CG LEU A 56 6.575 -7.363 3.696 1.00 1.00 C ATOM 919 CD1 LEU A 56 7.337 -8.514 4.330 1.00 1.00 C ATOM 920 CD2 LEU A 56 6.594 -7.484 2.178 1.00 1.00 C ATOM 0 H LEU A 56 5.599 -4.999 4.710 1.00 1.00 H new ATOM 0 HA LEU A 56 4.260 -6.306 2.572 1.00 1.00 H new ATOM 0 HB2 LEU A 56 5.171 -7.225 5.311 1.00 1.00 H new ATOM 0 HB3 LEU A 56 4.666 -8.286 4.011 1.00 1.00 H new ATOM 0 HG LEU A 56 7.063 -6.426 3.964 1.00 1.00 H new ATOM 0 HD11 LEU A 56 8.357 -8.530 3.946 1.00 1.00 H new ATOM 0 HD12 LEU A 56 7.358 -8.384 5.412 1.00 1.00 H new ATOM 0 HD13 LEU A 56 6.843 -9.455 4.087 1.00 1.00 H new ATOM 0 HD21 LEU A 56 7.626 -7.507 1.828 1.00 1.00 H new ATOM 0 HD22 LEU A 56 6.089 -8.403 1.880 1.00 1.00 H new ATOM 0 HD23 LEU A 56 6.080 -6.629 1.738 1.00 1.00 H new ATOM 932 N MET A 57 2.658 -5.720 5.372 1.00 1.00 N ATOM 933 CA MET A 57 1.368 -5.644 6.029 1.00 1.00 C ATOM 934 C MET A 57 0.356 -4.864 5.171 1.00 1.00 C ATOM 935 O MET A 57 -0.814 -5.233 5.119 1.00 1.00 O ATOM 936 CB MET A 57 1.526 -4.953 7.386 1.00 1.00 C ATOM 937 CG MET A 57 0.221 -4.795 8.151 1.00 1.00 C ATOM 938 SD MET A 57 0.425 -3.902 9.705 1.00 1.00 S ATOM 939 CE MET A 57 1.059 -2.330 9.123 1.00 1.00 C ATOM 0 H MET A 57 3.412 -5.274 5.894 1.00 1.00 H new ATOM 0 HA MET A 57 0.992 -6.658 6.168 1.00 1.00 H new ATOM 0 HB2 MET A 57 2.226 -5.525 7.995 1.00 1.00 H new ATOM 0 HB3 MET A 57 1.968 -3.968 7.232 1.00 1.00 H new ATOM 0 HG2 MET A 57 -0.500 -4.267 7.526 1.00 1.00 H new ATOM 0 HG3 MET A 57 -0.196 -5.781 8.356 1.00 1.00 H new ATOM 0 HE1 MET A 57 0.903 -1.569 9.888 1.00 1.00 H new ATOM 0 HE2 MET A 57 2.125 -2.422 8.915 1.00 1.00 H new ATOM 0 HE3 MET A 57 0.535 -2.041 8.212 1.00 1.00 H new ATOM 949 N MET A 58 0.795 -3.795 4.475 1.00 1.00 N ATOM 950 CA MET A 58 -0.154 -3.027 3.652 1.00 1.00 C ATOM 951 C MET A 58 -0.522 -3.806 2.386 1.00 1.00 C ATOM 952 O MET A 58 -1.633 -3.681 1.874 1.00 1.00 O ATOM 953 CB MET A 58 0.300 -1.575 3.346 1.00 1.00 C ATOM 954 CG MET A 58 1.580 -1.377 2.526 1.00 1.00 C ATOM 955 SD MET A 58 1.429 -1.827 0.782 1.00 1.00 S ATOM 956 CE MET A 58 3.058 -1.392 0.156 1.00 1.00 C ATOM 0 H MET A 58 1.757 -3.457 4.465 1.00 1.00 H new ATOM 0 HA MET A 58 -1.055 -2.905 4.253 1.00 1.00 H new ATOM 0 HB2 MET A 58 -0.514 -1.075 2.820 1.00 1.00 H new ATOM 0 HB3 MET A 58 0.430 -1.059 4.297 1.00 1.00 H new ATOM 0 HG2 MET A 58 1.882 -0.332 2.594 1.00 1.00 H new ATOM 0 HG3 MET A 58 2.378 -1.969 2.973 1.00 1.00 H new ATOM 0 HE1 MET A 58 3.004 -1.238 -0.922 1.00 1.00 H new ATOM 0 HE2 MET A 58 3.400 -0.475 0.637 1.00 1.00 H new ATOM 0 HE3 MET A 58 3.758 -2.198 0.373 1.00 1.00 H new ATOM 966 N VAL A 59 0.403 -4.632 1.902 1.00 1.00 N ATOM 967 CA VAL A 59 0.134 -5.483 0.747 1.00 1.00 C ATOM 968 C VAL A 59 -0.965 -6.483 1.127 1.00 1.00 C ATOM 969 O VAL A 59 -1.910 -6.719 0.372 1.00 1.00 O ATOM 970 CB VAL A 59 1.398 -6.252 0.299 1.00 1.00 C ATOM 971 CG1 VAL A 59 1.161 -6.972 -1.018 1.00 1.00 C ATOM 972 CG2 VAL A 59 2.595 -5.318 0.187 1.00 1.00 C ATOM 0 H VAL A 59 1.341 -4.729 2.290 1.00 1.00 H new ATOM 0 HA VAL A 59 -0.183 -4.854 -0.085 1.00 1.00 H new ATOM 0 HB VAL A 59 1.618 -6.999 1.062 1.00 1.00 H new ATOM 0 HG11 VAL A 59 2.066 -7.505 -1.310 1.00 1.00 H new ATOM 0 HG12 VAL A 59 0.343 -7.683 -0.902 1.00 1.00 H new ATOM 0 HG13 VAL A 59 0.903 -6.245 -1.789 1.00 1.00 H new ATOM 0 HG21 VAL A 59 3.470 -5.885 -0.130 1.00 1.00 H new ATOM 0 HG22 VAL A 59 2.382 -4.540 -0.546 1.00 1.00 H new ATOM 0 HG23 VAL A 59 2.791 -4.860 1.156 1.00 1.00 H new ATOM 982 N GLY A 60 -0.832 -7.045 2.329 1.00 1.00 N ATOM 983 CA GLY A 60 -1.818 -7.978 2.844 1.00 1.00 C ATOM 984 C GLY A 60 -3.140 -7.291 3.186 1.00 1.00 C ATOM 985 O GLY A 60 -4.217 -7.840 2.945 1.00 1.00 O ATOM 0 H GLY A 60 -0.050 -6.867 2.959 1.00 1.00 H new ATOM 0 HA2 GLY A 60 -1.997 -8.759 2.105 1.00 1.00 H new ATOM 0 HA3 GLY A 60 -1.423 -8.466 3.735 1.00 1.00 H new ATOM 989 N GLN A 61 -3.052 -6.071 3.728 1.00 1.00 N ATOM 990 CA GLN A 61 -4.242 -5.294 4.101 1.00 1.00 C ATOM 991 C GLN A 61 -5.020 -4.918 2.843 1.00 1.00 C ATOM 992 O GLN A 61 -6.246 -4.783 2.866 1.00 1.00 O ATOM 993 CB GLN A 61 -3.844 -4.021 4.859 1.00 1.00 C ATOM 994 CG GLN A 61 -5.026 -3.262 5.455 1.00 1.00 C ATOM 995 CD GLN A 61 -5.723 -4.026 6.570 1.00 1.00 C ATOM 996 OE1 GLN A 61 -6.930 -3.932 6.744 1.00 1.00 O ATOM 997 NE2 GLN A 61 -4.970 -4.786 7.340 1.00 1.00 N ATOM 0 H GLN A 61 -2.168 -5.599 3.919 1.00 1.00 H new ATOM 0 HA GLN A 61 -4.867 -5.905 4.753 1.00 1.00 H new ATOM 0 HB2 GLN A 61 -3.155 -4.287 5.660 1.00 1.00 H new ATOM 0 HB3 GLN A 61 -3.305 -3.360 4.181 1.00 1.00 H new ATOM 0 HG2 GLN A 61 -4.678 -2.304 5.841 1.00 1.00 H new ATOM 0 HG3 GLN A 61 -5.746 -3.045 4.666 1.00 1.00 H new ATOM 0 HE21 GLN A 61 -3.966 -4.846 7.172 1.00 1.00 H new ATOM 0 HE22 GLN A 61 -5.392 -5.314 8.104 1.00 1.00 H new ATOM 1006 N ARG A 62 -4.285 -4.769 1.735 1.00 1.00 N ATOM 1007 CA ARG A 62 -4.889 -4.433 0.471 1.00 1.00 C ATOM 1008 C ARG A 62 -5.757 -5.592 0.000 1.00 1.00 C ATOM 1009 O ARG A 62 -6.928 -5.411 -0.318 1.00 1.00 O ATOM 1010 CB ARG A 62 -3.817 -4.114 -0.572 1.00 1.00 C ATOM 1011 CG ARG A 62 -4.367 -4.078 -1.992 1.00 1.00 C ATOM 1012 CD ARG A 62 -3.343 -3.604 -3.021 1.00 1.00 C ATOM 1013 NE ARG A 62 -2.072 -4.345 -2.982 1.00 1.00 N ATOM 1014 CZ ARG A 62 -1.749 -5.337 -3.777 1.00 1.00 C ATOM 1015 NH1 ARG A 62 -2.631 -5.912 -4.534 1.00 1.00 N ATOM 1016 NH2 ARG A 62 -0.532 -5.775 -3.782 1.00 1.00 N ATOM 0 H ARG A 62 -3.271 -4.879 1.703 1.00 1.00 H new ATOM 0 HA ARG A 62 -5.510 -3.546 0.600 1.00 1.00 H new ATOM 0 HB2 ARG A 62 -3.364 -3.150 -0.338 1.00 1.00 H new ATOM 0 HB3 ARG A 62 -3.025 -4.861 -0.513 1.00 1.00 H new ATOM 0 HG2 ARG A 62 -4.714 -5.074 -2.266 1.00 1.00 H new ATOM 0 HG3 ARG A 62 -5.235 -3.419 -2.022 1.00 1.00 H new ATOM 0 HD2 ARG A 62 -3.775 -3.695 -4.018 1.00 1.00 H new ATOM 0 HD3 ARG A 62 -3.141 -2.546 -2.857 1.00 1.00 H new ATOM 0 HE ARG A 62 -1.387 -4.065 -2.280 1.00 1.00 H new ATOM 0 HH11 ARG A 62 -3.600 -5.595 -4.519 1.00 1.00 H new ATOM 0 HH12 ARG A 62 -2.356 -6.682 -5.144 1.00 1.00 H new ATOM 0 HH21 ARG A 62 0.166 -5.349 -3.172 1.00 1.00 H new ATOM 0 HH22 ARG A 62 -0.270 -6.546 -4.396 1.00 1.00 H new ATOM 1030 N ARG A 63 -5.184 -6.795 -0.027 1.00 1.00 N ATOM 1031 CA ARG A 63 -5.946 -7.961 -0.435 1.00 1.00 C ATOM 1032 C ARG A 63 -7.115 -8.167 0.531 1.00 1.00 C ATOM 1033 O ARG A 63 -8.220 -8.522 0.125 1.00 1.00 O ATOM 1034 CB ARG A 63 -5.067 -9.211 -0.462 1.00 1.00 C ATOM 1035 CG ARG A 63 -5.780 -10.416 -1.050 1.00 1.00 C ATOM 1036 CD ARG A 63 -5.015 -11.716 -0.808 1.00 1.00 C ATOM 1037 NE ARG A 63 -3.671 -11.716 -1.402 1.00 1.00 N ATOM 1038 CZ ARG A 63 -2.725 -12.559 -1.080 1.00 1.00 C ATOM 1039 NH1 ARG A 63 -2.938 -13.478 -0.196 1.00 1.00 N ATOM 1040 NH2 ARG A 63 -1.570 -12.485 -1.656 1.00 1.00 N ATOM 0 H ARG A 63 -4.213 -6.980 0.225 1.00 1.00 H new ATOM 0 HA ARG A 63 -6.325 -7.793 -1.443 1.00 1.00 H new ATOM 0 HB2 ARG A 63 -4.169 -9.006 -1.044 1.00 1.00 H new ATOM 0 HB3 ARG A 63 -4.743 -9.445 0.552 1.00 1.00 H new ATOM 0 HG2 ARG A 63 -6.775 -10.496 -0.613 1.00 1.00 H new ATOM 0 HG3 ARG A 63 -5.913 -10.269 -2.122 1.00 1.00 H new ATOM 0 HD2 ARG A 63 -4.931 -11.886 0.265 1.00 1.00 H new ATOM 0 HD3 ARG A 63 -5.587 -12.548 -1.219 1.00 1.00 H new ATOM 0 HE ARG A 63 -3.463 -11.013 -2.111 1.00 1.00 H new ATOM 0 HH11 ARG A 63 -3.850 -13.549 0.256 1.00 1.00 H new ATOM 0 HH12 ARG A 63 -2.194 -14.132 0.049 1.00 1.00 H new ATOM 0 HH21 ARG A 63 -1.397 -11.769 -2.362 1.00 1.00 H new ATOM 0 HH22 ARG A 63 -0.832 -13.143 -1.405 1.00 1.00 H new ATOM 1054 N ARG A 64 -6.847 -7.927 1.814 1.00 1.00 N ATOM 1055 CA ARG A 64 -7.855 -8.054 2.866 1.00 1.00 C ATOM 1056 C ARG A 64 -9.072 -7.161 2.608 1.00 1.00 C ATOM 1057 O ARG A 64 -10.206 -7.632 2.600 1.00 1.00 O ATOM 1058 CB ARG A 64 -7.254 -7.671 4.226 1.00 1.00 C ATOM 1059 CG ARG A 64 -8.245 -7.762 5.383 1.00 1.00 C ATOM 1060 CD ARG A 64 -7.652 -7.232 6.693 1.00 1.00 C ATOM 1061 NE ARG A 64 -6.474 -8.001 7.125 1.00 1.00 N ATOM 1062 CZ ARG A 64 -5.941 -7.948 8.317 1.00 1.00 C ATOM 1063 NH1 ARG A 64 -6.440 -7.186 9.239 1.00 1.00 N ATOM 1064 NH2 ARG A 64 -4.901 -8.674 8.581 1.00 1.00 N ATOM 0 H ARG A 64 -5.929 -7.640 2.153 1.00 1.00 H new ATOM 0 HA ARG A 64 -8.179 -9.095 2.868 1.00 1.00 H new ATOM 0 HB2 ARG A 64 -6.405 -8.322 4.434 1.00 1.00 H new ATOM 0 HB3 ARG A 64 -6.868 -6.653 4.169 1.00 1.00 H new ATOM 0 HG2 ARG A 64 -9.143 -7.195 5.136 1.00 1.00 H new ATOM 0 HG3 ARG A 64 -8.550 -8.800 5.517 1.00 1.00 H new ATOM 0 HD2 ARG A 64 -7.373 -6.186 6.566 1.00 1.00 H new ATOM 0 HD3 ARG A 64 -8.412 -7.267 7.474 1.00 1.00 H new ATOM 0 HE ARG A 64 -6.041 -8.623 6.442 1.00 1.00 H new ATOM 0 HH11 ARG A 64 -7.262 -6.615 9.040 1.00 1.00 H new ATOM 0 HH12 ARG A 64 -6.011 -7.157 10.164 1.00 1.00 H new ATOM 0 HH21 ARG A 64 -4.506 -9.280 7.862 1.00 1.00 H new ATOM 0 HH22 ARG A 64 -4.477 -8.640 9.508 1.00 1.00 H new ATOM 1078 N LEU A 65 -8.830 -5.878 2.370 1.00 1.00 N ATOM 1079 CA LEU A 65 -9.927 -4.934 2.163 1.00 1.00 C ATOM 1080 C LEU A 65 -10.624 -5.150 0.816 1.00 1.00 C ATOM 1081 O LEU A 65 -11.833 -4.950 0.703 1.00 1.00 O ATOM 1082 CB LEU A 65 -9.444 -3.489 2.304 1.00 1.00 C ATOM 1083 CG LEU A 65 -8.908 -3.119 3.694 1.00 1.00 C ATOM 1084 CD1 LEU A 65 -8.457 -1.668 3.726 1.00 1.00 C ATOM 1085 CD2 LEU A 65 -9.959 -3.368 4.769 1.00 1.00 C ATOM 0 H LEU A 65 -7.897 -5.469 2.315 1.00 1.00 H new ATOM 0 HA LEU A 65 -10.665 -5.124 2.942 1.00 1.00 H new ATOM 0 HB2 LEU A 65 -8.659 -3.310 1.569 1.00 1.00 H new ATOM 0 HB3 LEU A 65 -10.269 -2.820 2.059 1.00 1.00 H new ATOM 0 HG LEU A 65 -8.048 -3.756 3.901 1.00 1.00 H new ATOM 0 HD11 LEU A 65 -8.081 -1.426 4.720 1.00 1.00 H new ATOM 0 HD12 LEU A 65 -7.666 -1.517 2.992 1.00 1.00 H new ATOM 0 HD13 LEU A 65 -9.301 -1.019 3.490 1.00 1.00 H new ATOM 0 HD21 LEU A 65 -9.553 -3.098 5.744 1.00 1.00 H new ATOM 0 HD22 LEU A 65 -10.841 -2.762 4.562 1.00 1.00 H new ATOM 0 HD23 LEU A 65 -10.235 -4.422 4.771 1.00 1.00 H new ATOM 1097 N LEU A 66 -9.877 -5.565 -0.203 1.00 1.00 N ATOM 1098 CA LEU A 66 -10.483 -5.834 -1.506 1.00 1.00 C ATOM 1099 C LEU A 66 -11.405 -7.052 -1.393 1.00 1.00 C ATOM 1100 O LEU A 66 -12.502 -7.076 -1.947 1.00 1.00 O ATOM 1101 CB LEU A 66 -9.412 -6.062 -2.573 1.00 1.00 C ATOM 1102 CG LEU A 66 -8.560 -4.833 -2.907 1.00 1.00 C ATOM 1103 CD1 LEU A 66 -7.527 -5.174 -3.968 1.00 1.00 C ATOM 1104 CD2 LEU A 66 -9.436 -3.680 -3.374 1.00 1.00 C ATOM 0 H LEU A 66 -8.870 -5.720 -0.156 1.00 1.00 H new ATOM 0 HA LEU A 66 -11.068 -4.967 -1.811 1.00 1.00 H new ATOM 0 HB2 LEU A 66 -8.752 -6.863 -2.239 1.00 1.00 H new ATOM 0 HB3 LEU A 66 -9.897 -6.408 -3.486 1.00 1.00 H new ATOM 0 HG LEU A 66 -8.040 -4.524 -2.001 1.00 1.00 H new ATOM 0 HD11 LEU A 66 -6.931 -4.290 -4.193 1.00 1.00 H new ATOM 0 HD12 LEU A 66 -6.876 -5.967 -3.600 1.00 1.00 H new ATOM 0 HD13 LEU A 66 -8.033 -5.511 -4.873 1.00 1.00 H new ATOM 0 HD21 LEU A 66 -8.810 -2.818 -3.606 1.00 1.00 H new ATOM 0 HD22 LEU A 66 -9.986 -3.979 -4.266 1.00 1.00 H new ATOM 0 HD23 LEU A 66 -10.140 -3.415 -2.585 1.00 1.00 H new ATOM 1116 N ARG A 67 -10.951 -8.062 -0.657 1.00 1.00 N ATOM 1117 CA ARG A 67 -11.753 -9.259 -0.421 1.00 1.00 C ATOM 1118 C ARG A 67 -12.980 -8.904 0.433 1.00 1.00 C ATOM 1119 O ARG A 67 -14.086 -9.376 0.173 1.00 1.00 O ATOM 1120 CB ARG A 67 -10.909 -10.319 0.282 1.00 1.00 C ATOM 1121 CG ARG A 67 -11.662 -11.593 0.614 1.00 1.00 C ATOM 1122 CD ARG A 67 -10.763 -12.572 1.361 1.00 1.00 C ATOM 1123 NE ARG A 67 -9.637 -13.029 0.536 1.00 1.00 N ATOM 1124 CZ ARG A 67 -8.484 -13.424 1.009 1.00 1.00 C ATOM 1125 NH1 ARG A 67 -8.259 -13.429 2.281 1.00 1.00 N ATOM 1126 NH2 ARG A 67 -7.560 -13.820 0.196 1.00 1.00 N ATOM 0 H ARG A 67 -10.032 -8.076 -0.214 1.00 1.00 H new ATOM 0 HA ARG A 67 -12.093 -9.658 -1.377 1.00 1.00 H new ATOM 0 HB2 ARG A 67 -10.057 -10.568 -0.351 1.00 1.00 H new ATOM 0 HB3 ARG A 67 -10.508 -9.896 1.203 1.00 1.00 H new ATOM 0 HG2 ARG A 67 -12.535 -11.357 1.222 1.00 1.00 H new ATOM 0 HG3 ARG A 67 -12.028 -12.055 -0.303 1.00 1.00 H new ATOM 0 HD2 ARG A 67 -10.380 -12.096 2.264 1.00 1.00 H new ATOM 0 HD3 ARG A 67 -11.351 -13.433 1.680 1.00 1.00 H new ATOM 0 HE ARG A 67 -9.763 -13.039 -0.476 1.00 1.00 H new ATOM 0 HH11 ARG A 67 -8.985 -13.123 2.929 1.00 1.00 H new ATOM 0 HH12 ARG A 67 -7.355 -13.739 2.638 1.00 1.00 H new ATOM 0 HH21 ARG A 67 -7.732 -13.823 -0.809 1.00 1.00 H new ATOM 0 HH22 ARG A 67 -6.659 -14.129 0.560 1.00 1.00 H new ATOM 1140 N TYR A 68 -12.762 -8.069 1.453 1.00 1.00 N ATOM 1141 CA TYR A 68 -13.840 -7.605 2.339 1.00 1.00 C ATOM 1142 C TYR A 68 -14.921 -6.898 1.514 1.00 1.00 C ATOM 1143 O TYR A 68 -16.105 -7.204 1.618 1.00 1.00 O ATOM 1144 CB TYR A 68 -13.263 -6.651 3.397 1.00 1.00 C ATOM 1145 CG TYR A 68 -14.285 -5.999 4.308 1.00 1.00 C ATOM 1146 CD1 TYR A 68 -14.806 -6.678 5.403 1.00 1.00 C ATOM 1147 CD2 TYR A 68 -14.735 -4.704 4.066 1.00 1.00 C ATOM 1148 CE1 TYR A 68 -15.717 -6.073 6.252 1.00 1.00 C ATOM 1149 CE2 TYR A 68 -15.648 -4.097 4.908 1.00 1.00 C ATOM 1150 CZ TYR A 68 -16.149 -4.791 5.987 1.00 1.00 C ATOM 1151 OH TYR A 68 -17.051 -4.183 6.830 1.00 1.00 O ATOM 0 H TYR A 68 -11.842 -7.697 1.689 1.00 1.00 H new ATOM 0 HA TYR A 68 -14.290 -8.460 2.844 1.00 1.00 H new ATOM 0 HB2 TYR A 68 -12.553 -7.204 4.012 1.00 1.00 H new ATOM 0 HB3 TYR A 68 -12.702 -5.867 2.888 1.00 1.00 H new ATOM 0 HD1 TYR A 68 -14.495 -7.694 5.595 1.00 1.00 H new ATOM 0 HD2 TYR A 68 -14.365 -4.165 3.207 1.00 1.00 H new ATOM 0 HE1 TYR A 68 -16.087 -6.603 7.117 1.00 1.00 H new ATOM 0 HE2 TYR A 68 -15.967 -3.082 4.720 1.00 1.00 H new ATOM 0 HH TYR A 68 -17.250 -3.282 6.501 1.00 1.00 H new ATOM 1161 N LEU A 69 -14.482 -5.961 0.682 1.00 1.00 N ATOM 1162 CA LEU A 69 -15.373 -5.213 -0.205 1.00 1.00 C ATOM 1163 C LEU A 69 -16.154 -6.169 -1.108 1.00 1.00 C ATOM 1164 O LEU A 69 -17.375 -6.100 -1.218 1.00 1.00 O ATOM 1165 CB LEU A 69 -14.530 -4.279 -1.081 1.00 1.00 C ATOM 1166 CG LEU A 69 -15.299 -3.425 -2.091 1.00 1.00 C ATOM 1167 CD1 LEU A 69 -16.127 -2.366 -1.380 1.00 1.00 C ATOM 1168 CD2 LEU A 69 -14.330 -2.780 -3.073 1.00 1.00 C ATOM 0 H LEU A 69 -13.500 -5.697 0.601 1.00 1.00 H new ATOM 0 HA LEU A 69 -16.077 -4.640 0.398 1.00 1.00 H new ATOM 0 HB2 LEU A 69 -13.966 -3.613 -0.428 1.00 1.00 H new ATOM 0 HB3 LEU A 69 -13.803 -4.882 -1.625 1.00 1.00 H new ATOM 0 HG LEU A 69 -15.981 -4.070 -2.645 1.00 1.00 H new ATOM 0 HD11 LEU A 69 -16.666 -1.770 -2.117 1.00 1.00 H new ATOM 0 HD12 LEU A 69 -16.840 -2.849 -0.713 1.00 1.00 H new ATOM 0 HD13 LEU A 69 -15.469 -1.718 -0.800 1.00 1.00 H new ATOM 0 HD21 LEU A 69 -14.886 -2.174 -3.788 1.00 1.00 H new ATOM 0 HD22 LEU A 69 -13.628 -2.147 -2.529 1.00 1.00 H new ATOM 0 HD23 LEU A 69 -13.781 -3.557 -3.605 1.00 1.00 H new ATOM 1180 N GLN A 70 -15.414 -7.083 -1.716 1.00 1.00 N ATOM 1181 CA GLN A 70 -15.962 -8.077 -2.640 1.00 1.00 C ATOM 1182 C GLN A 70 -16.990 -8.990 -1.983 1.00 1.00 C ATOM 1183 O GLN A 70 -17.953 -9.407 -2.620 1.00 1.00 O ATOM 1184 CB GLN A 70 -14.804 -8.907 -3.199 1.00 1.00 C ATOM 1185 CG GLN A 70 -15.215 -10.029 -4.137 1.00 1.00 C ATOM 1186 CD GLN A 70 -14.021 -10.777 -4.707 1.00 1.00 C ATOM 1187 OE1 GLN A 70 -14.070 -11.302 -5.809 1.00 1.00 O ATOM 1188 NE2 GLN A 70 -12.933 -10.830 -3.959 1.00 1.00 N ATOM 0 H GLN A 70 -14.406 -7.161 -1.584 1.00 1.00 H new ATOM 0 HA GLN A 70 -16.484 -7.548 -3.437 1.00 1.00 H new ATOM 0 HB2 GLN A 70 -14.122 -8.242 -3.729 1.00 1.00 H new ATOM 0 HB3 GLN A 70 -14.248 -9.336 -2.365 1.00 1.00 H new ATOM 0 HG2 GLN A 70 -15.857 -10.729 -3.602 1.00 1.00 H new ATOM 0 HG3 GLN A 70 -15.806 -9.617 -4.955 1.00 1.00 H new ATOM 0 HE21 GLN A 70 -12.922 -10.382 -3.043 1.00 1.00 H new ATOM 0 HE22 GLN A 70 -12.104 -11.319 -4.298 1.00 1.00 H new ATOM 1197 N ARG A 71 -16.799 -9.300 -0.713 1.00 1.00 N ATOM 1198 CA ARG A 71 -17.733 -10.177 -0.024 1.00 1.00 C ATOM 1199 C ARG A 71 -18.991 -9.441 0.439 1.00 1.00 C ATOM 1200 O ARG A 71 -20.053 -10.044 0.529 1.00 1.00 O ATOM 1201 CB ARG A 71 -17.060 -10.866 1.161 1.00 1.00 C ATOM 1202 CG ARG A 71 -16.080 -11.961 0.751 1.00 1.00 C ATOM 1203 CD ARG A 71 -16.769 -13.083 -0.036 1.00 1.00 C ATOM 1204 NE ARG A 71 -15.855 -14.201 -0.345 1.00 1.00 N ATOM 1205 CZ ARG A 71 -16.093 -15.152 -1.221 1.00 1.00 C ATOM 1206 NH1 ARG A 71 -17.170 -15.151 -1.934 1.00 1.00 N ATOM 1207 NH2 ARG A 71 -15.232 -16.105 -1.382 1.00 1.00 N ATOM 0 H ARG A 71 -16.021 -8.965 -0.145 1.00 1.00 H new ATOM 0 HA ARG A 71 -18.043 -10.932 -0.746 1.00 1.00 H new ATOM 0 HB2 ARG A 71 -16.531 -10.119 1.753 1.00 1.00 H new ATOM 0 HB3 ARG A 71 -17.827 -11.298 1.804 1.00 1.00 H new ATOM 0 HG2 ARG A 71 -15.285 -11.528 0.144 1.00 1.00 H new ATOM 0 HG3 ARG A 71 -15.610 -12.379 1.641 1.00 1.00 H new ATOM 0 HD2 ARG A 71 -17.616 -13.458 0.539 1.00 1.00 H new ATOM 0 HD3 ARG A 71 -17.169 -12.678 -0.965 1.00 1.00 H new ATOM 0 HE ARG A 71 -14.970 -14.238 0.161 1.00 1.00 H new ATOM 0 HH11 ARG A 71 -17.855 -14.403 -1.823 1.00 1.00 H new ATOM 0 HH12 ARG A 71 -17.336 -15.898 -2.608 1.00 1.00 H new ATOM 0 HH21 ARG A 71 -14.374 -16.116 -0.831 1.00 1.00 H new ATOM 0 HH22 ARG A 71 -15.412 -16.845 -2.060 1.00 1.00 H new ATOM 1221 N GLU A 72 -18.902 -8.138 0.680 1.00 1.00 N ATOM 1222 CA GLU A 72 -20.085 -7.398 1.141 1.00 1.00 C ATOM 1223 C GLU A 72 -20.914 -6.869 -0.044 1.00 1.00 C ATOM 1224 O GLU A 72 -21.957 -6.234 0.132 1.00 1.00 O ATOM 1225 CB GLU A 72 -19.677 -6.273 2.089 1.00 1.00 C ATOM 1226 CG GLU A 72 -18.976 -6.785 3.341 1.00 1.00 C ATOM 1227 CD GLU A 72 -19.774 -7.858 4.062 1.00 1.00 C ATOM 1228 OE1 GLU A 72 -20.698 -7.500 4.824 1.00 1.00 O ATOM 1229 OE2 GLU A 72 -19.472 -9.057 3.868 1.00 1.00 O ATOM 0 H GLU A 72 -18.055 -7.581 0.570 1.00 1.00 H new ATOM 0 HA GLU A 72 -20.723 -8.088 1.694 1.00 1.00 H new ATOM 0 HB2 GLU A 72 -19.017 -5.583 1.564 1.00 1.00 H new ATOM 0 HB3 GLU A 72 -20.563 -5.708 2.379 1.00 1.00 H new ATOM 0 HG2 GLU A 72 -18.000 -7.186 3.068 1.00 1.00 H new ATOM 0 HG3 GLU A 72 -18.799 -5.951 4.020 1.00 1.00 H new ATOM 1236 N ASP A 73 -20.419 -7.169 -1.243 1.00 1.00 N ATOM 1237 CA ASP A 73 -21.034 -6.809 -2.516 1.00 1.00 C ATOM 1238 C ASP A 73 -20.025 -7.160 -3.612 1.00 1.00 C ATOM 1239 O ASP A 73 -19.026 -6.460 -3.809 1.00 1.00 O ATOM 1240 CB ASP A 73 -21.417 -5.329 -2.587 1.00 1.00 C ATOM 1241 CG ASP A 73 -22.290 -5.016 -3.789 1.00 1.00 C ATOM 1242 OD1 ASP A 73 -21.856 -5.292 -4.930 1.00 1.00 O ATOM 1243 OD2 ASP A 73 -23.398 -4.482 -3.594 1.00 1.00 O ATOM 0 H ASP A 73 -19.548 -7.688 -1.357 1.00 1.00 H new ATOM 0 HA ASP A 73 -21.966 -7.360 -2.640 1.00 1.00 H new ATOM 0 HB2 ASP A 73 -21.944 -5.048 -1.675 1.00 1.00 H new ATOM 0 HB3 ASP A 73 -20.512 -4.724 -2.631 1.00 1.00 H new ATOM 1248 N PRO A 74 -20.262 -8.253 -4.344 1.00 1.00 N ATOM 1249 CA PRO A 74 -19.326 -8.716 -5.369 1.00 1.00 C ATOM 1250 C PRO A 74 -19.255 -7.812 -6.598 1.00 1.00 C ATOM 1251 O PRO A 74 -18.256 -7.806 -7.315 1.00 1.00 O ATOM 1252 CB PRO A 74 -19.871 -10.088 -5.749 1.00 1.00 C ATOM 1253 CG PRO A 74 -21.328 -10.029 -5.437 1.00 1.00 C ATOM 1254 CD PRO A 74 -21.476 -9.088 -4.270 1.00 1.00 C ATOM 0 HA PRO A 74 -18.304 -8.725 -4.989 1.00 1.00 H new ATOM 0 HB2 PRO A 74 -19.702 -10.300 -6.805 1.00 1.00 H new ATOM 0 HB3 PRO A 74 -19.378 -10.878 -5.182 1.00 1.00 H new ATOM 0 HG2 PRO A 74 -21.895 -9.673 -6.297 1.00 1.00 H new ATOM 0 HG3 PRO A 74 -21.712 -11.018 -5.189 1.00 1.00 H new ATOM 0 HD2 PRO A 74 -22.382 -8.487 -4.351 1.00 1.00 H new ATOM 0 HD3 PRO A 74 -21.535 -9.627 -3.325 1.00 1.00 H new ATOM 1262 N GLU A 75 -20.286 -7.020 -6.819 1.00 1.00 N ATOM 1263 CA GLU A 75 -20.321 -6.143 -7.981 1.00 1.00 C ATOM 1264 C GLU A 75 -19.617 -4.831 -7.644 1.00 1.00 C ATOM 1265 O GLU A 75 -18.937 -4.223 -8.472 1.00 1.00 O ATOM 1266 CB GLU A 75 -21.771 -5.939 -8.414 1.00 1.00 C ATOM 1267 CG GLU A 75 -21.924 -5.248 -9.756 1.00 1.00 C ATOM 1268 CD GLU A 75 -21.218 -5.989 -10.882 1.00 1.00 C ATOM 1269 OE1 GLU A 75 -21.548 -7.169 -11.131 1.00 1.00 O ATOM 1270 OE2 GLU A 75 -20.322 -5.397 -11.515 1.00 1.00 O ATOM 0 H GLU A 75 -21.107 -6.963 -6.216 1.00 1.00 H new ATOM 0 HA GLU A 75 -19.790 -6.590 -8.822 1.00 1.00 H new ATOM 0 HB2 GLU A 75 -22.266 -6.909 -8.458 1.00 1.00 H new ATOM 0 HB3 GLU A 75 -22.287 -5.352 -7.654 1.00 1.00 H new ATOM 0 HG2 GLU A 75 -22.984 -5.157 -9.995 1.00 1.00 H new ATOM 0 HG3 GLU A 75 -21.525 -4.236 -9.686 1.00 1.00 H new ATOM 1277 N ARG A 76 -19.769 -4.431 -6.398 1.00 1.00 N ATOM 1278 CA ARG A 76 -19.118 -3.252 -5.856 1.00 1.00 C ATOM 1279 C ARG A 76 -17.589 -3.416 -5.939 1.00 1.00 C ATOM 1280 O ARG A 76 -16.861 -2.453 -6.188 1.00 1.00 O ATOM 1281 CB ARG A 76 -19.566 -3.127 -4.413 1.00 1.00 C ATOM 1282 CG ARG A 76 -19.221 -1.838 -3.713 1.00 1.00 C ATOM 1283 CD ARG A 76 -19.904 -1.821 -2.352 1.00 1.00 C ATOM 1284 NE ARG A 76 -19.580 -0.627 -1.583 1.00 1.00 N ATOM 1285 CZ ARG A 76 -20.217 -0.214 -0.530 1.00 1.00 C ATOM 1286 NH1 ARG A 76 -21.317 -0.782 -0.126 1.00 1.00 N ATOM 1287 NH2 ARG A 76 -19.764 0.819 0.086 1.00 1.00 N ATOM 0 H ARG A 76 -20.356 -4.921 -5.723 1.00 1.00 H new ATOM 0 HA ARG A 76 -19.385 -2.357 -6.418 1.00 1.00 H new ATOM 0 HB2 ARG A 76 -20.648 -3.255 -4.379 1.00 1.00 H new ATOM 0 HB3 ARG A 76 -19.130 -3.950 -3.847 1.00 1.00 H new ATOM 0 HG2 ARG A 76 -18.141 -1.750 -3.594 1.00 1.00 H new ATOM 0 HG3 ARG A 76 -19.547 -0.986 -4.309 1.00 1.00 H new ATOM 0 HD2 ARG A 76 -20.984 -1.879 -2.490 1.00 1.00 H new ATOM 0 HD3 ARG A 76 -19.606 -2.705 -1.788 1.00 1.00 H new ATOM 0 HE ARG A 76 -18.786 -0.069 -1.898 1.00 1.00 H new ATOM 0 HH11 ARG A 76 -21.701 -1.574 -0.641 1.00 1.00 H new ATOM 0 HH12 ARG A 76 -21.795 -0.435 0.705 1.00 1.00 H new ATOM 0 HH21 ARG A 76 -18.926 1.290 -0.256 1.00 1.00 H new ATOM 0 HH22 ARG A 76 -20.242 1.168 0.917 1.00 1.00 H new ATOM 1301 N TYR A 77 -17.117 -4.657 -5.729 1.00 1.00 N ATOM 1302 CA TYR A 77 -15.679 -4.980 -5.832 1.00 1.00 C ATOM 1303 C TYR A 77 -15.176 -4.495 -7.169 1.00 1.00 C ATOM 1304 O TYR A 77 -14.271 -3.670 -7.274 1.00 1.00 O ATOM 1305 CB TYR A 77 -15.448 -6.513 -5.817 1.00 1.00 C ATOM 1306 CG TYR A 77 -14.041 -6.934 -6.253 1.00 1.00 C ATOM 1307 CD1 TYR A 77 -12.948 -6.722 -5.421 1.00 1.00 C ATOM 1308 CD2 TYR A 77 -13.813 -7.595 -7.468 1.00 1.00 C ATOM 1309 CE1 TYR A 77 -11.668 -7.081 -5.810 1.00 1.00 C ATOM 1310 CE2 TYR A 77 -12.531 -7.954 -7.859 1.00 1.00 C ATOM 1311 CZ TYR A 77 -11.472 -7.728 -7.011 1.00 1.00 C ATOM 1312 OH TYR A 77 -10.199 -8.087 -7.395 1.00 1.00 O ATOM 0 H TYR A 77 -17.707 -5.453 -5.487 1.00 1.00 H new ATOM 0 HA TYR A 77 -15.167 -4.512 -4.991 1.00 1.00 H new ATOM 0 HB2 TYR A 77 -15.633 -6.888 -4.811 1.00 1.00 H new ATOM 0 HB3 TYR A 77 -16.178 -6.987 -6.473 1.00 1.00 H new ATOM 0 HD1 TYR A 77 -13.100 -6.269 -4.453 1.00 1.00 H new ATOM 0 HD2 TYR A 77 -14.649 -7.829 -8.110 1.00 1.00 H new ATOM 0 HE1 TYR A 77 -10.825 -6.854 -5.174 1.00 1.00 H new ATOM 0 HE2 TYR A 77 -12.366 -8.409 -8.825 1.00 1.00 H new ATOM 0 HH TYR A 77 -10.234 -8.535 -8.266 1.00 1.00 H new ATOM 1322 N ARG A 78 -15.870 -4.999 -8.177 1.00 1.00 N ATOM 1323 CA ARG A 78 -15.568 -4.765 -9.558 1.00 1.00 C ATOM 1324 C ARG A 78 -15.549 -3.304 -9.933 1.00 1.00 C ATOM 1325 O ARG A 78 -14.598 -2.827 -10.534 1.00 1.00 O ATOM 1326 CB ARG A 78 -16.628 -5.461 -10.400 1.00 1.00 C ATOM 1327 CG ARG A 78 -16.849 -6.914 -10.030 1.00 1.00 C ATOM 1328 CD ARG A 78 -17.983 -7.540 -10.843 1.00 1.00 C ATOM 1329 NE ARG A 78 -17.606 -7.807 -12.240 1.00 1.00 N ATOM 1330 CZ ARG A 78 -18.447 -8.187 -13.171 1.00 1.00 C ATOM 1331 NH1 ARG A 78 -19.723 -8.110 -12.987 1.00 1.00 N ATOM 1332 NH2 ARG A 78 -17.999 -8.593 -14.316 1.00 1.00 N ATOM 0 H ARG A 78 -16.683 -5.600 -8.039 1.00 1.00 H new ATOM 0 HA ARG A 78 -14.566 -5.155 -9.739 1.00 1.00 H new ATOM 0 HB2 ARG A 78 -17.570 -4.923 -10.298 1.00 1.00 H new ATOM 0 HB3 ARG A 78 -16.340 -5.403 -11.450 1.00 1.00 H new ATOM 0 HG2 ARG A 78 -15.930 -7.475 -10.196 1.00 1.00 H new ATOM 0 HG3 ARG A 78 -17.080 -6.988 -8.967 1.00 1.00 H new ATOM 0 HD2 ARG A 78 -18.290 -8.473 -10.370 1.00 1.00 H new ATOM 0 HD3 ARG A 78 -18.846 -6.874 -10.826 1.00 1.00 H new ATOM 0 HE ARG A 78 -16.627 -7.689 -12.501 1.00 1.00 H new ATOM 0 HH11 ARG A 78 -20.090 -7.749 -12.107 1.00 1.00 H new ATOM 0 HH12 ARG A 78 -20.363 -8.410 -13.722 1.00 1.00 H new ATOM 0 HH21 ARG A 78 -16.994 -8.616 -14.491 1.00 1.00 H new ATOM 0 HH22 ARG A 78 -18.651 -8.889 -15.043 1.00 1.00 H new ATOM 1346 N ALA A 79 -16.572 -2.578 -9.544 1.00 1.00 N ATOM 1347 CA ALA A 79 -16.651 -1.197 -9.959 1.00 1.00 C ATOM 1348 C ALA A 79 -15.711 -0.275 -9.195 1.00 1.00 C ATOM 1349 O ALA A 79 -15.249 0.719 -9.745 1.00 1.00 O ATOM 1350 CB ALA A 79 -18.076 -0.702 -9.926 1.00 1.00 C ATOM 0 H ALA A 79 -17.340 -2.907 -8.959 1.00 1.00 H new ATOM 0 HA ALA A 79 -16.304 -1.168 -10.992 1.00 1.00 H new ATOM 0 HB1 ALA A 79 -18.106 0.340 -10.243 1.00 1.00 H new ATOM 0 HB2 ALA A 79 -18.686 -1.304 -10.599 1.00 1.00 H new ATOM 0 HB3 ALA A 79 -18.466 -0.784 -8.912 1.00 1.00 H new ATOM 1356 N LEU A 80 -15.398 -0.574 -7.949 1.00 1.00 N ATOM 1357 CA LEU A 80 -14.479 0.290 -7.241 1.00 1.00 C ATOM 1358 C LEU A 80 -13.040 -0.037 -7.643 1.00 1.00 C ATOM 1359 O LEU A 80 -12.157 0.813 -7.562 1.00 1.00 O ATOM 1360 CB LEU A 80 -14.675 0.198 -5.732 1.00 1.00 C ATOM 1361 CG LEU A 80 -13.772 1.106 -4.884 1.00 1.00 C ATOM 1362 CD1 LEU A 80 -13.957 2.576 -5.243 1.00 1.00 C ATOM 1363 CD2 LEU A 80 -14.065 0.896 -3.411 1.00 1.00 C ATOM 0 H LEU A 80 -15.750 -1.375 -7.425 1.00 1.00 H new ATOM 0 HA LEU A 80 -14.689 1.322 -7.522 1.00 1.00 H new ATOM 0 HB2 LEU A 80 -15.714 0.436 -5.504 1.00 1.00 H new ATOM 0 HB3 LEU A 80 -14.510 -0.835 -5.426 1.00 1.00 H new ATOM 0 HG LEU A 80 -12.737 0.837 -5.095 1.00 1.00 H new ATOM 0 HD11 LEU A 80 -13.302 3.187 -4.622 1.00 1.00 H new ATOM 0 HD12 LEU A 80 -13.708 2.728 -6.293 1.00 1.00 H new ATOM 0 HD13 LEU A 80 -14.994 2.865 -5.070 1.00 1.00 H new ATOM 0 HD21 LEU A 80 -13.421 1.543 -2.816 1.00 1.00 H new ATOM 0 HD22 LEU A 80 -15.108 1.138 -3.209 1.00 1.00 H new ATOM 0 HD23 LEU A 80 -13.877 -0.145 -3.147 1.00 1.00 H new ATOM 1375 N ILE A 81 -12.799 -1.243 -8.152 1.00 1.00 N ATOM 1376 CA ILE A 81 -11.438 -1.579 -8.553 1.00 1.00 C ATOM 1377 C ILE A 81 -11.158 -0.973 -9.921 1.00 1.00 C ATOM 1378 O ILE A 81 -10.024 -0.614 -10.249 1.00 1.00 O ATOM 1379 CB ILE A 81 -11.103 -3.093 -8.476 1.00 1.00 C ATOM 1380 CG1 ILE A 81 -12.016 -3.994 -9.321 1.00 1.00 C ATOM 1381 CG2 ILE A 81 -11.192 -3.517 -7.024 1.00 1.00 C ATOM 1382 CD1 ILE A 81 -11.627 -4.090 -10.776 1.00 1.00 C ATOM 0 H ILE A 81 -13.495 -1.975 -8.292 1.00 1.00 H new ATOM 0 HA ILE A 81 -10.759 -1.138 -7.823 1.00 1.00 H new ATOM 0 HB ILE A 81 -10.102 -3.218 -8.889 1.00 1.00 H new ATOM 0 HG12 ILE A 81 -12.016 -4.996 -8.891 1.00 1.00 H new ATOM 0 HG13 ILE A 81 -13.037 -3.619 -9.255 1.00 1.00 H new ATOM 0 HG21 ILE A 81 -10.961 -4.579 -6.940 1.00 1.00 H new ATOM 0 HG22 ILE A 81 -10.479 -2.943 -6.433 1.00 1.00 H new ATOM 0 HG23 ILE A 81 -12.201 -3.335 -6.653 1.00 1.00 H new ATOM 0 HD11 ILE A 81 -12.325 -4.746 -11.297 1.00 1.00 H new ATOM 0 HD12 ILE A 81 -11.656 -3.098 -11.227 1.00 1.00 H new ATOM 0 HD13 ILE A 81 -10.619 -4.496 -10.857 1.00 1.00 H new ATOM 1394 N GLU A 82 -12.221 -0.840 -10.700 1.00 1.00 N ATOM 1395 CA GLU A 82 -12.146 -0.191 -11.995 1.00 1.00 C ATOM 1396 C GLU A 82 -12.097 1.329 -11.796 1.00 1.00 C ATOM 1397 O GLU A 82 -11.338 2.033 -12.448 1.00 1.00 O ATOM 1398 CB GLU A 82 -13.367 -0.557 -12.837 1.00 1.00 C ATOM 1399 CG GLU A 82 -13.409 -2.013 -13.273 1.00 1.00 C ATOM 1400 CD GLU A 82 -12.371 -2.355 -14.320 1.00 1.00 C ATOM 1401 OE1 GLU A 82 -11.218 -2.648 -13.932 1.00 1.00 O ATOM 1402 OE2 GLU A 82 -12.717 -2.374 -15.519 1.00 1.00 O ATOM 0 H GLU A 82 -13.152 -1.177 -10.453 1.00 1.00 H new ATOM 0 HA GLU A 82 -11.247 -0.525 -12.513 1.00 1.00 H new ATOM 0 HB2 GLU A 82 -14.268 -0.334 -12.266 1.00 1.00 H new ATOM 0 HB3 GLU A 82 -13.386 0.077 -13.724 1.00 1.00 H new ATOM 0 HG2 GLU A 82 -13.260 -2.650 -12.402 1.00 1.00 H new ATOM 0 HG3 GLU A 82 -14.400 -2.239 -13.667 1.00 1.00 H new ATOM 1409 N LYS A 83 -12.905 1.816 -10.856 1.00 1.00 N ATOM 1410 CA LYS A 83 -12.969 3.250 -10.546 1.00 1.00 C ATOM 1411 C LYS A 83 -11.606 3.770 -10.086 1.00 1.00 C ATOM 1412 O LYS A 83 -11.122 4.794 -10.561 1.00 1.00 O ATOM 1413 CB LYS A 83 -14.020 3.493 -9.457 1.00 1.00 C ATOM 1414 CG LYS A 83 -14.274 4.958 -9.145 1.00 1.00 C ATOM 1415 CD LYS A 83 -15.322 5.131 -8.048 1.00 1.00 C ATOM 1416 CE LYS A 83 -16.693 4.583 -8.436 1.00 1.00 C ATOM 1417 NZ LYS A 83 -17.290 5.312 -9.591 1.00 1.00 N ATOM 0 H LYS A 83 -13.528 1.239 -10.292 1.00 1.00 H new ATOM 0 HA LYS A 83 -13.250 3.790 -11.450 1.00 1.00 H new ATOM 0 HB2 LYS A 83 -14.958 3.032 -9.765 1.00 1.00 H new ATOM 0 HB3 LYS A 83 -13.702 2.989 -8.544 1.00 1.00 H new ATOM 0 HG2 LYS A 83 -13.342 5.430 -8.835 1.00 1.00 H new ATOM 0 HG3 LYS A 83 -14.606 5.470 -10.048 1.00 1.00 H new ATOM 0 HD2 LYS A 83 -14.979 4.628 -7.144 1.00 1.00 H new ATOM 0 HD3 LYS A 83 -15.416 6.190 -7.807 1.00 1.00 H new ATOM 0 HE2 LYS A 83 -16.602 3.526 -8.685 1.00 1.00 H new ATOM 0 HE3 LYS A 83 -17.364 4.652 -7.580 1.00 1.00 H new ATOM 0 HZ1 LYS A 83 -18.318 5.154 -9.608 1.00 1.00 H new ATOM 0 HZ2 LYS A 83 -17.098 6.330 -9.496 1.00 1.00 H new ATOM 0 HZ3 LYS A 83 -16.872 4.962 -10.476 1.00 1.00 H new ATOM 1431 N LEU A 84 -10.994 3.053 -9.161 1.00 1.00 N ATOM 1432 CA LEU A 84 -9.686 3.439 -8.654 1.00 1.00 C ATOM 1433 C LEU A 84 -8.581 3.112 -9.654 1.00 1.00 C ATOM 1434 O LEU A 84 -7.577 3.813 -9.736 1.00 1.00 O ATOM 1435 CB LEU A 84 -9.401 2.718 -7.338 1.00 1.00 C ATOM 1436 CG LEU A 84 -10.232 3.193 -6.151 1.00 1.00 C ATOM 1437 CD1 LEU A 84 -10.034 2.268 -4.966 1.00 1.00 C ATOM 1438 CD2 LEU A 84 -9.855 4.615 -5.779 1.00 1.00 C ATOM 0 H LEU A 84 -11.378 2.204 -8.746 1.00 1.00 H new ATOM 0 HA LEU A 84 -9.699 4.517 -8.493 1.00 1.00 H new ATOM 0 HB2 LEU A 84 -9.574 1.651 -7.480 1.00 1.00 H new ATOM 0 HB3 LEU A 84 -8.345 2.840 -7.095 1.00 1.00 H new ATOM 0 HG LEU A 84 -11.285 3.175 -6.434 1.00 1.00 H new ATOM 0 HD11 LEU A 84 -10.633 2.619 -4.126 1.00 1.00 H new ATOM 0 HD12 LEU A 84 -10.345 1.259 -5.236 1.00 1.00 H new ATOM 0 HD13 LEU A 84 -8.982 2.260 -4.683 1.00 1.00 H new ATOM 0 HD21 LEU A 84 -10.456 4.941 -4.930 1.00 1.00 H new ATOM 0 HD22 LEU A 84 -8.799 4.653 -5.512 1.00 1.00 H new ATOM 0 HD23 LEU A 84 -10.039 5.274 -6.628 1.00 1.00 H new ATOM 1450 N GLY A 85 -8.777 2.060 -10.430 1.00 1.00 N ATOM 1451 CA GLY A 85 -7.750 1.657 -11.364 1.00 1.00 C ATOM 1452 C GLY A 85 -6.725 0.826 -10.643 1.00 1.00 C ATOM 1453 O GLY A 85 -5.542 1.143 -10.582 1.00 1.00 O ATOM 0 H GLY A 85 -9.618 1.484 -10.431 1.00 1.00 H new ATOM 0 HA2 GLY A 85 -8.189 1.086 -12.182 1.00 1.00 H new ATOM 0 HA3 GLY A 85 -7.279 2.535 -11.806 1.00 1.00 H new ATOM 1457 N ILE A 86 -7.207 -0.235 -10.067 1.00 1.00 N ATOM 1458 CA ILE A 86 -6.383 -1.129 -9.294 1.00 1.00 C ATOM 1459 C ILE A 86 -5.737 -2.167 -10.195 1.00 1.00 C ATOM 1460 O ILE A 86 -4.585 -2.589 -10.000 1.00 1.00 O ATOM 1461 CB ILE A 86 -7.266 -1.753 -8.205 1.00 1.00 C ATOM 1462 CG1 ILE A 86 -7.411 -0.747 -7.041 1.00 1.00 C ATOM 1463 CG2 ILE A 86 -6.734 -3.096 -7.743 1.00 1.00 C ATOM 1464 CD1 ILE A 86 -8.344 -1.203 -5.936 1.00 1.00 C ATOM 0 H ILE A 86 -8.188 -0.510 -10.118 1.00 1.00 H new ATOM 0 HA ILE A 86 -5.562 -0.595 -8.816 1.00 1.00 H new ATOM 0 HB ILE A 86 -8.254 -1.957 -8.618 1.00 1.00 H new ATOM 0 HG12 ILE A 86 -6.426 -0.558 -6.614 1.00 1.00 H new ATOM 0 HG13 ILE A 86 -7.773 0.201 -7.438 1.00 1.00 H new ATOM 0 HG21 ILE A 86 -7.389 -3.501 -6.972 1.00 1.00 H new ATOM 0 HG22 ILE A 86 -6.699 -3.784 -8.588 1.00 1.00 H new ATOM 0 HG23 ILE A 86 -5.731 -2.970 -7.336 1.00 1.00 H new ATOM 0 HD11 ILE A 86 -8.389 -0.439 -5.159 1.00 1.00 H new ATOM 0 HD12 ILE A 86 -9.342 -1.363 -6.345 1.00 1.00 H new ATOM 0 HD13 ILE A 86 -7.973 -2.134 -5.508 1.00 1.00 H new ATOM 1476 N ARG A 87 -6.436 -2.599 -11.242 1.00 1.00 N ATOM 1477 CA ARG A 87 -5.893 -3.590 -12.237 1.00 1.00 C ATOM 1478 C ARG A 87 -5.315 -2.802 -13.450 1.00 1.00 C ATOM 1479 O ARG A 87 -4.522 -3.312 -14.215 1.00 1.00 O ATOM 1480 CB ARG A 87 -7.060 -4.375 -12.790 1.00 1.00 C ATOM 1481 CG ARG A 87 -7.810 -5.196 -11.776 1.00 1.00 C ATOM 1482 CD ARG A 87 -9.122 -5.690 -12.367 1.00 1.00 C ATOM 1483 NE ARG A 87 -8.944 -6.449 -13.616 1.00 1.00 N ATOM 1484 CZ ARG A 87 -9.694 -6.305 -14.681 1.00 1.00 C ATOM 1485 NH1 ARG A 87 -10.569 -5.354 -14.759 1.00 1.00 N ATOM 1486 NH2 ARG A 87 -9.536 -7.106 -15.684 1.00 1.00 N ATOM 0 H ARG A 87 -7.387 -2.291 -11.445 1.00 1.00 H new ATOM 0 HA ARG A 87 -5.144 -4.224 -11.762 1.00 1.00 H new ATOM 0 HB2 ARG A 87 -7.756 -3.680 -13.260 1.00 1.00 H new ATOM 0 HB3 ARG A 87 -6.694 -5.038 -13.574 1.00 1.00 H new ATOM 0 HG2 ARG A 87 -7.202 -6.044 -11.462 1.00 1.00 H new ATOM 0 HG3 ARG A 87 -8.006 -4.598 -10.886 1.00 1.00 H new ATOM 0 HD2 ARG A 87 -9.629 -6.320 -11.636 1.00 1.00 H new ATOM 0 HD3 ARG A 87 -9.772 -4.836 -12.557 1.00 1.00 H new ATOM 0 HE ARG A 87 -8.187 -7.132 -13.655 1.00 1.00 H new ATOM 0 HH11 ARG A 87 -10.683 -4.701 -13.984 1.00 1.00 H new ATOM 0 HH12 ARG A 87 -11.144 -5.257 -15.596 1.00 1.00 H new ATOM 0 HH21 ARG A 87 -8.832 -7.843 -15.642 1.00 1.00 H new ATOM 0 HH22 ARG A 87 -10.116 -7.001 -16.517 1.00 1.00 H new ATOM 1500 N GLY A 88 -5.744 -1.569 -13.356 1.00 1.00 N ATOM 1501 CA GLY A 88 -5.650 -0.434 -14.226 1.00 1.00 C ATOM 1502 C GLY A 88 -6.473 -0.589 -15.463 1.00 1.00 C ATOM 1503 O GLY A 88 -7.636 -0.926 -15.409 1.00 1.00 O ATOM 1504 OXT GLY A 88 -5.877 -0.234 -16.562 1.00 1.00 O ATOM 0 H GLY A 88 -6.256 -1.302 -12.515 1.00 1.00 H new ATOM 0 HA2 GLY A 88 -5.972 0.458 -13.689 1.00 1.00 H new ATOM 0 HA3 GLY A 88 -4.608 -0.280 -14.505 1.00 1.00 H new TER 1508 GLY A 88