USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 541 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 57 THR OG1 : rot 180:sc= 0.101 USER MOD Set 1.2: A 60 ASN :FLIP amide:sc= -11! C(o=-13!,f=-11!) USER MOD Set 2.1: A 29 LYS NZ :NH3+ -154:sc= -2.66! (180deg=-4.52!) USER MOD Set 2.2: A 54 ASN : amide:sc= -1.52 K(o=-4.2,f=-6.7) USER MOD Set 3.1: A 21 SER OG : rot 130:sc= -4.17! USER MOD Set 3.2: A 59 GLN : amide:sc= -3.33 K(o=-7.5,f=-14!) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot -88:sc= -3.64 USER MOD Single : A 24 SER OG : rot 180:sc= 0.052 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ -159:sc= -0.012 (180deg=-0.161) USER MOD Single : A 36 GLN : amide:sc= -4.47! C(o=-4.5!,f=-13!) USER MOD Single : A 42 GLN : amide:sc= -3.22! C(o=-3.2!,f=-9.5!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HD1:sc= -3.84! C(o=-3.8!,f=-4.6!) USER MOD Single : A 61 CYS SG : rot -112:sc= -0.795 USER MOD Single : A 65 GLN :FLIP amide:sc= -0.468 F(o=-1.8,f=-0.47) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 81:sc= -1.23 USER MOD Single : A 70 HIS : no HD1:sc= -0.202 X(o=-0.2,f=-0.062) USER MOD Single : A 73 GLN : amide:sc= -0.248 K(o=-0.25,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 27 N MET A 3 7.411 -9.996 25.334 1.00 0.00 N ATOM 28 CA MET A 3 6.192 -10.240 26.146 1.00 0.00 C ATOM 29 C MET A 3 4.942 -10.096 25.283 1.00 0.00 C ATOM 30 O MET A 3 4.986 -9.630 24.157 1.00 0.00 O ATOM 31 CB MET A 3 6.123 -9.228 27.284 1.00 0.00 C ATOM 32 CG MET A 3 5.153 -9.722 28.354 1.00 0.00 C ATOM 33 SD MET A 3 5.894 -9.489 29.989 1.00 0.00 S ATOM 34 CE MET A 3 5.445 -11.102 30.676 1.00 0.00 C ATOM 0 HA MET A 3 6.240 -11.252 26.548 1.00 0.00 H new ATOM 0 HB2 MET A 3 7.113 -9.084 27.716 1.00 0.00 H new ATOM 0 HB3 MET A 3 5.797 -8.260 26.903 1.00 0.00 H new ATOM 0 HG2 MET A 3 4.212 -9.176 28.288 1.00 0.00 H new ATOM 0 HG3 MET A 3 4.922 -10.775 28.194 1.00 0.00 H new ATOM 0 HE1 MET A 3 5.811 -11.176 31.700 1.00 0.00 H new ATOM 0 HE2 MET A 3 4.360 -11.211 30.670 1.00 0.00 H new ATOM 0 HE3 MET A 3 5.892 -11.892 30.073 1.00 0.00 H new ATOM 44 N ILE A 4 3.830 -10.498 25.818 1.00 0.00 N ATOM 45 CA ILE A 4 2.549 -10.396 25.078 1.00 0.00 C ATOM 46 C ILE A 4 2.121 -8.933 24.991 1.00 0.00 C ATOM 47 O ILE A 4 2.170 -8.204 25.963 1.00 0.00 O ATOM 48 CB ILE A 4 1.473 -11.143 25.857 1.00 0.00 C ATOM 49 CG1 ILE A 4 0.935 -12.303 25.019 1.00 0.00 C ATOM 50 CG2 ILE A 4 0.337 -10.168 26.167 1.00 0.00 C ATOM 51 CD1 ILE A 4 1.537 -13.613 25.519 1.00 0.00 C ATOM 0 H ILE A 4 3.753 -10.900 26.752 1.00 0.00 H new ATOM 0 HA ILE A 4 2.677 -10.814 24.080 1.00 0.00 H new ATOM 0 HB ILE A 4 1.893 -11.541 26.781 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -0.152 -12.341 25.086 1.00 0.00 H new ATOM 0 HG13 ILE A 4 1.184 -12.153 23.969 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -0.444 -10.685 26.725 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.721 -9.340 26.762 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -0.077 -9.784 25.235 1.00 0.00 H new ATOM 0 HD11 ILE A 4 1.154 -14.441 24.922 1.00 0.00 H new ATOM 0 HD12 ILE A 4 2.623 -13.572 25.429 1.00 0.00 H new ATOM 0 HD13 ILE A 4 1.265 -13.763 26.564 1.00 0.00 H new ATOM 63 N VAL A 5 1.642 -8.510 23.860 1.00 0.00 N ATOM 64 CA VAL A 5 1.145 -7.118 23.766 1.00 0.00 C ATOM 65 C VAL A 5 -0.365 -7.207 23.904 1.00 0.00 C ATOM 66 O VAL A 5 -0.972 -8.175 23.492 1.00 0.00 O ATOM 67 CB VAL A 5 1.502 -6.470 22.427 1.00 0.00 C ATOM 68 CG1 VAL A 5 2.229 -5.150 22.683 1.00 0.00 C ATOM 69 CG2 VAL A 5 2.406 -7.396 21.612 1.00 0.00 C ATOM 0 H VAL A 5 1.574 -9.062 23.005 1.00 0.00 H new ATOM 0 HA VAL A 5 1.601 -6.501 24.540 1.00 0.00 H new ATOM 0 HB VAL A 5 0.585 -6.288 21.866 1.00 0.00 H new ATOM 0 HG11 VAL A 5 2.485 -4.685 21.731 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.581 -4.482 23.250 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.140 -5.340 23.250 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.651 -6.921 20.662 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.323 -7.591 22.168 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.889 -8.337 21.424 1.00 0.00 H new ATOM 79 N PHE A 6 -0.985 -6.240 24.494 1.00 0.00 N ATOM 80 CA PHE A 6 -2.454 -6.325 24.662 1.00 0.00 C ATOM 81 C PHE A 6 -3.150 -5.683 23.473 1.00 0.00 C ATOM 82 O PHE A 6 -3.160 -4.485 23.332 1.00 0.00 O ATOM 83 CB PHE A 6 -2.859 -5.602 25.939 1.00 0.00 C ATOM 84 CG PHE A 6 -4.173 -6.163 26.420 1.00 0.00 C ATOM 85 CD1 PHE A 6 -4.314 -7.541 26.612 1.00 0.00 C ATOM 86 CD2 PHE A 6 -5.252 -5.305 26.665 1.00 0.00 C ATOM 87 CE1 PHE A 6 -5.534 -8.064 27.054 1.00 0.00 C ATOM 88 CE2 PHE A 6 -6.473 -5.829 27.109 1.00 0.00 C ATOM 89 CZ PHE A 6 -6.614 -7.208 27.301 1.00 0.00 C ATOM 0 H PHE A 6 -0.546 -5.398 24.866 1.00 0.00 H new ATOM 0 HA PHE A 6 -2.748 -7.373 24.724 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -2.092 -5.728 26.703 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -2.951 -4.532 25.754 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -3.481 -8.201 26.419 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -5.143 -4.241 26.512 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -5.643 -9.128 27.205 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -7.305 -5.169 27.303 1.00 0.00 H new ATOM 0 HZ PHE A 6 -7.556 -7.612 27.640 1.00 0.00 H new ATOM 99 N VAL A 7 -3.746 -6.467 22.623 1.00 0.00 N ATOM 100 CA VAL A 7 -4.448 -5.881 21.453 1.00 0.00 C ATOM 101 C VAL A 7 -5.931 -5.759 21.774 1.00 0.00 C ATOM 102 O VAL A 7 -6.609 -6.749 21.968 1.00 0.00 O ATOM 103 CB VAL A 7 -4.271 -6.797 20.237 1.00 0.00 C ATOM 104 CG1 VAL A 7 -5.325 -6.465 19.171 1.00 0.00 C ATOM 105 CG2 VAL A 7 -2.874 -6.592 19.645 1.00 0.00 C ATOM 0 H VAL A 7 -3.777 -7.484 22.688 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.032 -4.898 21.232 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.392 -7.834 20.552 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.191 -7.121 18.311 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.322 -6.611 19.587 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -5.211 -5.427 18.857 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.746 -7.243 18.780 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.758 -5.553 19.337 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.122 -6.834 20.396 1.00 0.00 H new ATOM 115 N ARG A 8 -6.465 -4.571 21.803 1.00 0.00 N ATOM 116 CA ARG A 8 -7.918 -4.471 22.076 1.00 0.00 C ATOM 117 C ARG A 8 -8.634 -4.697 20.745 1.00 0.00 C ATOM 118 O ARG A 8 -8.819 -3.791 19.959 1.00 0.00 O ATOM 119 CB ARG A 8 -8.256 -3.090 22.649 1.00 0.00 C ATOM 120 CG ARG A 8 -7.146 -2.641 23.610 1.00 0.00 C ATOM 121 CD ARG A 8 -7.180 -3.482 24.890 1.00 0.00 C ATOM 122 NE ARG A 8 -8.407 -3.155 25.672 1.00 0.00 N ATOM 123 CZ ARG A 8 -8.347 -2.291 26.650 1.00 0.00 C ATOM 124 NH1 ARG A 8 -7.603 -2.534 27.693 1.00 0.00 N ATOM 125 NH2 ARG A 8 -9.033 -1.183 26.584 1.00 0.00 N ATOM 0 H ARG A 8 -5.973 -3.690 21.654 1.00 0.00 H new ATOM 0 HA ARG A 8 -8.233 -5.211 22.812 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -8.364 -2.367 21.840 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -9.211 -3.127 23.173 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -6.174 -2.741 23.126 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -7.273 -1.587 23.856 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -7.168 -4.543 24.640 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -6.291 -3.286 25.490 1.00 0.00 H new ATOM 0 HE ARG A 8 -9.293 -3.606 25.443 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -7.067 -3.400 27.746 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -7.557 -1.858 28.456 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -9.616 -0.992 25.769 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -8.986 -0.508 27.347 1.00 0.00 H new ATOM 139 N PHE A 9 -9.017 -5.917 20.489 1.00 0.00 N ATOM 140 CA PHE A 9 -9.684 -6.258 19.199 1.00 0.00 C ATOM 141 C PHE A 9 -11.086 -5.648 19.153 1.00 0.00 C ATOM 142 O PHE A 9 -11.861 -5.775 20.080 1.00 0.00 O ATOM 143 CB PHE A 9 -9.816 -7.775 19.113 1.00 0.00 C ATOM 144 CG PHE A 9 -8.862 -8.402 18.116 1.00 0.00 C ATOM 145 CD1 PHE A 9 -8.380 -7.726 16.967 1.00 0.00 C ATOM 146 CD2 PHE A 9 -8.478 -9.723 18.352 1.00 0.00 C ATOM 147 CE1 PHE A 9 -7.528 -8.404 16.087 1.00 0.00 C ATOM 148 CE2 PHE A 9 -7.623 -10.381 17.474 1.00 0.00 C ATOM 149 CZ PHE A 9 -7.147 -9.726 16.345 1.00 0.00 C ATOM 0 H PHE A 9 -8.895 -6.703 21.127 1.00 0.00 H new ATOM 0 HA PHE A 9 -9.093 -5.867 18.371 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -9.636 -8.205 20.098 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -10.839 -8.029 18.836 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -8.666 -6.703 16.773 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -8.848 -10.239 19.225 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -7.162 -7.903 15.203 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -7.329 -11.402 17.670 1.00 0.00 H new ATOM 0 HZ PHE A 9 -6.482 -10.238 15.665 1.00 0.00 H new ATOM 223 N PHE A 15 -7.286 -9.519 22.543 1.00 0.00 N ATOM 224 CA PHE A 15 -6.587 -10.814 22.319 1.00 0.00 C ATOM 225 C PHE A 15 -5.079 -10.627 22.542 1.00 0.00 C ATOM 226 O PHE A 15 -4.476 -9.747 21.957 1.00 0.00 O ATOM 227 CB PHE A 15 -6.864 -11.282 20.889 1.00 0.00 C ATOM 228 CG PHE A 15 -5.666 -11.022 20.012 1.00 0.00 C ATOM 229 CD1 PHE A 15 -4.659 -11.985 19.924 1.00 0.00 C ATOM 230 CD2 PHE A 15 -5.561 -9.823 19.288 1.00 0.00 C ATOM 231 CE1 PHE A 15 -3.544 -11.760 19.111 1.00 0.00 C ATOM 232 CE2 PHE A 15 -4.440 -9.602 18.476 1.00 0.00 C ATOM 233 CZ PHE A 15 -3.436 -10.568 18.387 1.00 0.00 C ATOM 0 HA PHE A 15 -6.950 -11.566 23.020 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -7.101 -12.346 20.887 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -7.735 -10.761 20.491 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -4.741 -12.905 20.484 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -6.339 -9.077 19.356 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -2.766 -12.506 19.042 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -4.353 -8.682 17.918 1.00 0.00 H new ATOM 0 HZ PHE A 15 -2.575 -10.395 17.758 1.00 0.00 H new ATOM 243 N PRO A 16 -4.515 -11.453 23.396 1.00 0.00 N ATOM 244 CA PRO A 16 -3.080 -11.390 23.728 1.00 0.00 C ATOM 245 C PRO A 16 -2.242 -12.017 22.617 1.00 0.00 C ATOM 246 O PRO A 16 -2.484 -13.128 22.187 1.00 0.00 O ATOM 247 CB PRO A 16 -2.968 -12.208 25.015 1.00 0.00 C ATOM 248 CG PRO A 16 -4.195 -13.150 25.038 1.00 0.00 C ATOM 249 CD PRO A 16 -5.249 -12.520 24.108 1.00 0.00 C ATOM 0 HA PRO A 16 -2.717 -10.369 23.843 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -2.039 -12.778 25.034 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -2.960 -11.558 25.890 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -3.924 -14.149 24.696 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -4.584 -13.255 26.051 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -5.657 -13.254 23.413 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -6.089 -12.116 24.674 1.00 0.00 H new ATOM 257 N VAL A 17 -1.261 -11.305 22.149 1.00 0.00 N ATOM 258 CA VAL A 17 -0.396 -11.838 21.064 1.00 0.00 C ATOM 259 C VAL A 17 1.048 -11.902 21.551 1.00 0.00 C ATOM 260 O VAL A 17 1.498 -11.053 22.293 1.00 0.00 O ATOM 261 CB VAL A 17 -0.466 -10.893 19.876 1.00 0.00 C ATOM 262 CG1 VAL A 17 0.122 -9.547 20.292 1.00 0.00 C ATOM 263 CG2 VAL A 17 0.340 -11.471 18.712 1.00 0.00 C ATOM 0 H VAL A 17 -1.018 -10.369 22.473 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.734 -12.834 20.780 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.501 -10.765 19.559 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.080 -8.856 19.450 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -0.452 -9.141 21.124 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.159 -9.682 20.599 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.288 -10.792 17.861 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.380 -11.595 19.015 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -0.073 -12.439 18.429 1.00 0.00 H new ATOM 273 N GLU A 18 1.791 -12.884 21.130 1.00 0.00 N ATOM 274 CA GLU A 18 3.207 -12.960 21.571 1.00 0.00 C ATOM 275 C GLU A 18 4.082 -12.210 20.567 1.00 0.00 C ATOM 276 O GLU A 18 4.197 -12.598 19.421 1.00 0.00 O ATOM 277 CB GLU A 18 3.644 -14.426 21.650 1.00 0.00 C ATOM 278 CG GLU A 18 4.715 -14.586 22.730 1.00 0.00 C ATOM 279 CD GLU A 18 6.029 -15.033 22.085 1.00 0.00 C ATOM 280 OE1 GLU A 18 5.970 -15.794 21.135 1.00 0.00 O ATOM 281 OE2 GLU A 18 7.071 -14.606 22.555 1.00 0.00 O ATOM 0 H GLU A 18 1.483 -13.630 20.506 1.00 0.00 H new ATOM 0 HA GLU A 18 3.312 -12.506 22.557 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.787 -15.060 21.877 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.034 -14.752 20.686 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.859 -13.643 23.257 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.393 -15.319 23.470 1.00 0.00 H new ATOM 288 N VAL A 19 4.703 -11.138 20.985 1.00 0.00 N ATOM 289 CA VAL A 19 5.569 -10.371 20.046 1.00 0.00 C ATOM 290 C VAL A 19 6.758 -9.792 20.804 1.00 0.00 C ATOM 291 O VAL A 19 6.792 -9.779 22.019 1.00 0.00 O ATOM 292 CB VAL A 19 4.775 -9.226 19.410 1.00 0.00 C ATOM 293 CG1 VAL A 19 3.293 -9.378 19.757 1.00 0.00 C ATOM 294 CG2 VAL A 19 5.289 -7.888 19.949 1.00 0.00 C ATOM 0 H VAL A 19 4.648 -10.763 21.932 1.00 0.00 H new ATOM 0 HA VAL A 19 5.920 -11.044 19.264 1.00 0.00 H new ATOM 0 HB VAL A 19 4.900 -9.255 18.328 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.728 -8.563 19.304 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.926 -10.330 19.375 1.00 0.00 H new ATOM 0 HG13 VAL A 19 3.168 -9.349 20.839 1.00 0.00 H new ATOM 0 HG21 VAL A 19 4.724 -7.073 19.497 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.164 -7.860 21.031 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.345 -7.778 19.703 1.00 0.00 H new ATOM 304 N ASP A 20 7.731 -9.310 20.092 1.00 0.00 N ATOM 305 CA ASP A 20 8.927 -8.722 20.752 1.00 0.00 C ATOM 306 C ASP A 20 9.200 -7.347 20.147 1.00 0.00 C ATOM 307 O ASP A 20 8.461 -6.867 19.311 1.00 0.00 O ATOM 308 CB ASP A 20 10.142 -9.628 20.527 1.00 0.00 C ATOM 309 CG ASP A 20 9.791 -11.067 20.912 1.00 0.00 C ATOM 310 OD1 ASP A 20 8.739 -11.265 21.496 1.00 0.00 O ATOM 311 OD2 ASP A 20 10.582 -11.948 20.614 1.00 0.00 O ATOM 0 H ASP A 20 7.751 -9.297 19.072 1.00 0.00 H new ATOM 0 HA ASP A 20 8.745 -8.629 21.823 1.00 0.00 H new ATOM 0 HB2 ASP A 20 10.451 -9.586 19.482 1.00 0.00 H new ATOM 0 HB3 ASP A 20 10.985 -9.277 21.123 1.00 0.00 H new ATOM 316 N SER A 21 10.262 -6.713 20.554 1.00 0.00 N ATOM 317 CA SER A 21 10.596 -5.370 19.996 1.00 0.00 C ATOM 318 C SER A 21 10.804 -5.468 18.477 1.00 0.00 C ATOM 319 O SER A 21 10.999 -4.475 17.807 1.00 0.00 O ATOM 320 CB SER A 21 11.886 -4.872 20.648 1.00 0.00 C ATOM 321 OG SER A 21 11.685 -4.748 22.048 1.00 0.00 O ATOM 0 H SER A 21 10.917 -7.066 21.252 1.00 0.00 H new ATOM 0 HA SER A 21 9.778 -4.679 20.200 1.00 0.00 H new ATOM 0 HB2 SER A 21 12.701 -5.567 20.446 1.00 0.00 H new ATOM 0 HB3 SER A 21 12.174 -3.910 20.224 1.00 0.00 H new ATOM 0 HG SER A 21 12.411 -5.203 22.524 1.00 0.00 H new ATOM 327 N ASP A 22 10.779 -6.657 17.932 1.00 0.00 N ATOM 328 CA ASP A 22 10.990 -6.820 16.466 1.00 0.00 C ATOM 329 C ASP A 22 9.657 -6.693 15.717 1.00 0.00 C ATOM 330 O ASP A 22 9.591 -6.077 14.671 1.00 0.00 O ATOM 331 CB ASP A 22 11.599 -8.199 16.194 1.00 0.00 C ATOM 332 CG ASP A 22 13.086 -8.185 16.562 1.00 0.00 C ATOM 333 OD1 ASP A 22 13.383 -8.208 17.745 1.00 0.00 O ATOM 334 OD2 ASP A 22 13.901 -8.153 15.655 1.00 0.00 O ATOM 0 H ASP A 22 10.621 -7.525 18.444 1.00 0.00 H new ATOM 0 HA ASP A 22 11.665 -6.040 16.115 1.00 0.00 H new ATOM 0 HB2 ASP A 22 11.077 -8.959 16.775 1.00 0.00 H new ATOM 0 HB3 ASP A 22 11.476 -8.461 15.143 1.00 0.00 H new ATOM 339 N THR A 23 8.592 -7.272 16.224 1.00 0.00 N ATOM 340 CA THR A 23 7.287 -7.171 15.510 1.00 0.00 C ATOM 341 C THR A 23 7.088 -5.739 15.015 1.00 0.00 C ATOM 342 O THR A 23 7.004 -4.808 15.787 1.00 0.00 O ATOM 343 CB THR A 23 6.144 -7.576 16.449 1.00 0.00 C ATOM 344 OG1 THR A 23 6.683 -8.184 17.613 1.00 0.00 O ATOM 345 CG2 THR A 23 5.235 -8.572 15.736 1.00 0.00 C ATOM 0 H THR A 23 8.574 -7.805 17.094 1.00 0.00 H new ATOM 0 HA THR A 23 7.287 -7.846 14.654 1.00 0.00 H new ATOM 0 HB THR A 23 5.572 -6.692 16.730 1.00 0.00 H new ATOM 0 HG1 THR A 23 6.791 -9.146 17.460 1.00 0.00 H new ATOM 0 HG21 THR A 23 4.421 -8.862 16.401 1.00 0.00 H new ATOM 0 HG22 THR A 23 4.823 -8.111 14.838 1.00 0.00 H new ATOM 0 HG23 THR A 23 5.810 -9.456 15.459 1.00 0.00 H new ATOM 353 N SER A 24 7.024 -5.554 13.724 1.00 0.00 N ATOM 354 CA SER A 24 6.834 -4.183 13.179 1.00 0.00 C ATOM 355 C SER A 24 5.504 -3.630 13.703 1.00 0.00 C ATOM 356 O SER A 24 5.182 -3.765 14.865 1.00 0.00 O ATOM 357 CB SER A 24 6.822 -4.239 11.645 1.00 0.00 C ATOM 358 OG SER A 24 7.676 -5.287 11.207 1.00 0.00 O ATOM 0 H SER A 24 7.095 -6.294 13.025 1.00 0.00 H new ATOM 0 HA SER A 24 7.649 -3.532 13.496 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.807 -4.406 11.284 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.155 -3.287 11.232 1.00 0.00 H new ATOM 0 HG SER A 24 7.669 -5.327 10.228 1.00 0.00 H new ATOM 364 N ILE A 25 4.726 -3.012 12.868 1.00 0.00 N ATOM 365 CA ILE A 25 3.431 -2.463 13.336 1.00 0.00 C ATOM 366 C ILE A 25 2.341 -2.795 12.322 1.00 0.00 C ATOM 367 O ILE A 25 1.232 -3.085 12.696 1.00 0.00 O ATOM 368 CB ILE A 25 3.564 -0.956 13.506 1.00 0.00 C ATOM 369 CG1 ILE A 25 4.548 -0.677 14.641 1.00 0.00 C ATOM 370 CG2 ILE A 25 2.201 -0.335 13.822 1.00 0.00 C ATOM 371 CD1 ILE A 25 4.074 -1.368 15.927 1.00 0.00 C ATOM 0 H ILE A 25 4.931 -2.863 11.880 1.00 0.00 H new ATOM 0 HA ILE A 25 3.159 -2.906 14.294 1.00 0.00 H new ATOM 0 HB ILE A 25 3.933 -0.513 12.581 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.541 -1.036 14.370 1.00 0.00 H new ATOM 0 HG13 ILE A 25 4.632 0.397 14.805 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.311 0.743 13.941 1.00 0.00 H new ATOM 0 HG22 ILE A 25 1.509 -0.541 13.005 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.811 -0.764 14.745 1.00 0.00 H new ATOM 0 HD11 ILE A 25 4.781 -1.164 16.731 1.00 0.00 H new ATOM 0 HD12 ILE A 25 3.091 -0.988 16.203 1.00 0.00 H new ATOM 0 HD13 ILE A 25 4.013 -2.444 15.761 1.00 0.00 H new ATOM 383 N LEU A 26 2.650 -2.844 11.046 1.00 0.00 N ATOM 384 CA LEU A 26 1.607 -3.260 10.084 1.00 0.00 C ATOM 385 C LEU A 26 1.587 -4.754 10.241 1.00 0.00 C ATOM 386 O LEU A 26 0.566 -5.398 10.240 1.00 0.00 O ATOM 387 CB LEU A 26 1.963 -2.869 8.658 1.00 0.00 C ATOM 388 CG LEU A 26 1.195 -3.753 7.674 1.00 0.00 C ATOM 389 CD1 LEU A 26 1.957 -5.061 7.513 1.00 0.00 C ATOM 390 CD2 LEU A 26 -0.234 -4.041 8.182 1.00 0.00 C ATOM 0 H LEU A 26 3.561 -2.618 10.646 1.00 0.00 H new ATOM 0 HA LEU A 26 0.644 -2.786 10.274 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.719 -1.821 8.487 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.036 -2.977 8.498 1.00 0.00 H new ATOM 0 HG LEU A 26 1.110 -3.237 6.718 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.426 -5.708 6.814 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.956 -4.855 7.129 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.035 -5.558 8.480 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.756 -4.671 7.462 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.182 -4.553 9.143 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.774 -3.102 8.300 1.00 0.00 H new ATOM 402 N GLN A 27 2.757 -5.280 10.475 1.00 0.00 N ATOM 403 CA GLN A 27 2.898 -6.713 10.747 1.00 0.00 C ATOM 404 C GLN A 27 1.956 -6.982 11.905 1.00 0.00 C ATOM 405 O GLN A 27 1.336 -8.021 12.011 1.00 0.00 O ATOM 406 CB GLN A 27 4.348 -6.949 11.165 1.00 0.00 C ATOM 407 CG GLN A 27 5.113 -7.603 10.011 1.00 0.00 C ATOM 408 CD GLN A 27 5.586 -8.996 10.427 1.00 0.00 C ATOM 409 OE1 GLN A 27 6.612 -9.138 11.064 1.00 0.00 O ATOM 410 NE2 GLN A 27 4.877 -10.039 10.089 1.00 0.00 N ATOM 0 H GLN A 27 3.632 -4.755 10.486 1.00 0.00 H new ATOM 0 HA GLN A 27 2.667 -7.357 9.898 1.00 0.00 H new ATOM 0 HB2 GLN A 27 4.818 -6.004 11.437 1.00 0.00 H new ATOM 0 HB3 GLN A 27 4.384 -7.588 12.047 1.00 0.00 H new ATOM 0 HG2 GLN A 27 4.472 -7.674 9.132 1.00 0.00 H new ATOM 0 HG3 GLN A 27 5.968 -6.986 9.734 1.00 0.00 H new ATOM 0 HE21 GLN A 27 4.016 -9.919 9.555 1.00 0.00 H new ATOM 0 HE22 GLN A 27 5.184 -10.973 10.359 1.00 0.00 H new ATOM 419 N LEU A 28 1.809 -5.993 12.746 1.00 0.00 N ATOM 420 CA LEU A 28 0.863 -6.098 13.882 1.00 0.00 C ATOM 421 C LEU A 28 -0.528 -6.186 13.313 1.00 0.00 C ATOM 422 O LEU A 28 -1.281 -7.062 13.658 1.00 0.00 O ATOM 423 CB LEU A 28 0.979 -4.841 14.749 1.00 0.00 C ATOM 424 CG LEU A 28 0.437 -5.128 16.138 1.00 0.00 C ATOM 425 CD1 LEU A 28 -0.997 -5.647 16.016 1.00 0.00 C ATOM 426 CD2 LEU A 28 1.330 -6.175 16.804 1.00 0.00 C ATOM 0 H LEU A 28 2.313 -5.108 12.689 1.00 0.00 H new ATOM 0 HA LEU A 28 1.084 -6.975 14.491 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.020 -4.525 14.812 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.424 -4.021 14.294 1.00 0.00 H new ATOM 0 HG LEU A 28 0.433 -4.222 16.744 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.394 -5.856 17.009 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.616 -4.894 15.529 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.004 -6.562 15.423 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.953 -6.392 17.804 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.326 -7.088 16.209 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.348 -5.793 16.875 1.00 0.00 H new ATOM 438 N LYS A 29 -0.880 -5.297 12.443 1.00 0.00 N ATOM 439 CA LYS A 29 -2.236 -5.359 11.869 1.00 0.00 C ATOM 440 C LYS A 29 -2.402 -6.686 11.118 1.00 0.00 C ATOM 441 O LYS A 29 -3.502 -7.121 10.873 1.00 0.00 O ATOM 442 CB LYS A 29 -2.475 -4.174 10.936 1.00 0.00 C ATOM 443 CG LYS A 29 -2.536 -2.882 11.761 1.00 0.00 C ATOM 444 CD LYS A 29 -1.282 -2.049 11.501 1.00 0.00 C ATOM 445 CE LYS A 29 -1.242 -0.812 12.413 1.00 0.00 C ATOM 446 NZ LYS A 29 -0.219 0.140 11.895 1.00 0.00 N ATOM 0 H LYS A 29 -0.291 -4.535 12.107 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.974 -5.306 12.670 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.675 -4.110 10.198 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.406 -4.312 10.386 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.426 -2.311 11.496 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.614 -3.119 12.822 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -0.395 -2.659 11.671 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -1.259 -1.736 10.457 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -2.221 -0.334 12.442 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -1.000 -1.105 13.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 0.135 0.728 12.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.571 -0.392 11.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -0.648 0.749 11.169 1.00 0.00 H new ATOM 460 N GLU A 30 -1.316 -7.329 10.750 1.00 0.00 N ATOM 461 CA GLU A 30 -1.424 -8.627 10.013 1.00 0.00 C ATOM 462 C GLU A 30 -1.802 -9.750 10.980 1.00 0.00 C ATOM 463 O GLU A 30 -2.777 -10.434 10.775 1.00 0.00 O ATOM 464 CB GLU A 30 -0.082 -8.964 9.361 1.00 0.00 C ATOM 465 CG GLU A 30 0.282 -7.886 8.339 1.00 0.00 C ATOM 466 CD GLU A 30 0.197 -8.468 6.926 1.00 0.00 C ATOM 467 OE1 GLU A 30 -0.882 -8.887 6.542 1.00 0.00 O ATOM 468 OE2 GLU A 30 1.214 -8.483 6.251 1.00 0.00 O ATOM 0 H GLU A 30 -0.364 -7.010 10.929 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.194 -8.531 9.247 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.695 -9.034 10.122 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.138 -9.937 8.873 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.395 -7.037 8.435 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.289 -7.515 8.530 1.00 0.00 H new ATOM 475 N VAL A 31 -1.044 -9.930 12.036 1.00 0.00 N ATOM 476 CA VAL A 31 -1.363 -11.002 13.033 1.00 0.00 C ATOM 477 C VAL A 31 -2.697 -10.662 13.678 1.00 0.00 C ATOM 478 O VAL A 31 -3.587 -11.482 13.780 1.00 0.00 O ATOM 479 CB VAL A 31 -0.261 -11.029 14.098 1.00 0.00 C ATOM 480 CG1 VAL A 31 -0.626 -12.028 15.199 1.00 0.00 C ATOM 481 CG2 VAL A 31 1.059 -11.450 13.447 1.00 0.00 C ATOM 0 H VAL A 31 -0.214 -9.378 12.251 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.421 -11.979 12.552 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.157 -10.036 14.535 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.161 -12.042 15.953 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.567 -11.731 15.662 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.733 -13.023 14.767 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.846 -11.471 14.201 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.949 -12.442 13.010 1.00 0.00 H new ATOM 0 HG23 VAL A 31 1.323 -10.737 12.666 1.00 0.00 H new ATOM 491 N VAL A 32 -2.844 -9.439 14.075 1.00 0.00 N ATOM 492 CA VAL A 32 -4.119 -8.990 14.672 1.00 0.00 C ATOM 493 C VAL A 32 -5.186 -9.124 13.578 1.00 0.00 C ATOM 494 O VAL A 32 -6.341 -9.354 13.847 1.00 0.00 O ATOM 495 CB VAL A 32 -3.951 -7.536 15.164 1.00 0.00 C ATOM 496 CG1 VAL A 32 -3.947 -6.575 14.012 1.00 0.00 C ATOM 497 CG2 VAL A 32 -5.056 -7.155 16.157 1.00 0.00 C ATOM 0 H VAL A 32 -2.123 -8.720 14.010 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.417 -9.585 15.535 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.990 -7.475 15.675 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.827 -5.558 14.387 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.122 -6.814 13.342 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.889 -6.653 13.470 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.911 -6.126 16.486 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -6.028 -7.248 15.673 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.015 -7.820 17.019 1.00 0.00 H new ATOM 507 N ALA A 33 -4.785 -9.024 12.329 1.00 0.00 N ATOM 508 CA ALA A 33 -5.757 -9.192 11.203 1.00 0.00 C ATOM 509 C ALA A 33 -6.148 -10.667 11.101 1.00 0.00 C ATOM 510 O ALA A 33 -7.236 -11.006 10.685 1.00 0.00 O ATOM 511 CB ALA A 33 -5.112 -8.751 9.883 1.00 0.00 C ATOM 0 H ALA A 33 -3.825 -8.833 12.044 1.00 0.00 H new ATOM 0 HA ALA A 33 -6.639 -8.580 11.393 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.826 -8.877 9.069 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -4.822 -7.703 9.952 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -4.229 -9.360 9.688 1.00 0.00 H new ATOM 517 N LYS A 34 -5.259 -11.545 11.479 1.00 0.00 N ATOM 518 CA LYS A 34 -5.560 -13.006 11.409 1.00 0.00 C ATOM 519 C LYS A 34 -6.663 -13.335 12.405 1.00 0.00 C ATOM 520 O LYS A 34 -7.634 -13.994 12.090 1.00 0.00 O ATOM 521 CB LYS A 34 -4.308 -13.809 11.791 1.00 0.00 C ATOM 522 CG LYS A 34 -3.074 -13.183 11.165 1.00 0.00 C ATOM 523 CD LYS A 34 -3.267 -13.026 9.654 1.00 0.00 C ATOM 524 CE LYS A 34 -2.631 -14.216 8.933 1.00 0.00 C ATOM 525 NZ LYS A 34 -1.149 -14.058 8.930 1.00 0.00 N ATOM 0 H LYS A 34 -4.332 -11.313 11.835 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.872 -13.261 10.396 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.201 -13.836 12.875 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.412 -14.841 11.455 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.882 -12.210 11.617 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.201 -13.805 11.364 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -4.329 -12.968 9.416 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.813 -12.095 9.313 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.908 -15.146 9.429 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.003 -14.277 7.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -0.740 -14.636 8.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -0.907 -13.059 8.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -0.765 -14.369 9.845 1.00 0.00 H new ATOM 539 N ARG A 35 -6.499 -12.895 13.614 1.00 0.00 N ATOM 540 CA ARG A 35 -7.515 -13.192 14.663 1.00 0.00 C ATOM 541 C ARG A 35 -8.741 -12.275 14.529 1.00 0.00 C ATOM 542 O ARG A 35 -9.806 -12.587 15.023 1.00 0.00 O ATOM 543 CB ARG A 35 -6.882 -12.998 16.041 1.00 0.00 C ATOM 544 CG ARG A 35 -5.960 -14.181 16.345 1.00 0.00 C ATOM 545 CD ARG A 35 -4.509 -13.776 16.082 1.00 0.00 C ATOM 546 NE ARG A 35 -3.676 -15.001 15.919 1.00 0.00 N ATOM 547 CZ ARG A 35 -4.222 -16.180 16.028 1.00 0.00 C ATOM 548 NH1 ARG A 35 -4.637 -16.601 17.191 1.00 0.00 N ATOM 549 NH2 ARG A 35 -4.356 -16.938 14.974 1.00 0.00 N ATOM 0 H ARG A 35 -5.703 -12.339 13.927 1.00 0.00 H new ATOM 0 HA ARG A 35 -7.848 -14.223 14.540 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -6.317 -12.066 16.067 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -7.658 -12.922 16.803 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -6.080 -14.492 17.383 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -6.229 -15.035 15.723 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -4.449 -13.160 15.185 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -4.132 -13.174 16.909 1.00 0.00 H new ATOM 0 HE ARG A 35 -2.679 -14.917 15.722 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -4.534 -16.008 18.014 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -5.064 -17.523 17.277 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -4.033 -16.608 14.064 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -4.783 -17.860 15.060 1.00 0.00 H new ATOM 563 N GLN A 36 -8.610 -11.144 13.887 1.00 0.00 N ATOM 564 CA GLN A 36 -9.789 -10.228 13.762 1.00 0.00 C ATOM 565 C GLN A 36 -10.694 -10.669 12.607 1.00 0.00 C ATOM 566 O GLN A 36 -11.802 -10.189 12.464 1.00 0.00 O ATOM 567 CB GLN A 36 -9.308 -8.797 13.503 1.00 0.00 C ATOM 568 CG GLN A 36 -9.825 -7.874 14.605 1.00 0.00 C ATOM 569 CD GLN A 36 -11.107 -7.182 14.144 1.00 0.00 C ATOM 570 OE1 GLN A 36 -11.126 -6.531 13.118 1.00 0.00 O ATOM 571 NE2 GLN A 36 -12.188 -7.296 14.863 1.00 0.00 N ATOM 0 H GLN A 36 -7.750 -10.815 13.448 1.00 0.00 H new ATOM 0 HA GLN A 36 -10.355 -10.267 14.693 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.219 -8.769 13.473 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -9.663 -8.454 12.531 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -10.017 -8.448 15.512 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -9.068 -7.130 14.853 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -12.172 -7.842 15.724 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -13.050 -6.839 14.564 1.00 0.00 H new ATOM 580 N GLY A 37 -10.238 -11.562 11.774 1.00 0.00 N ATOM 581 CA GLY A 37 -11.082 -12.007 10.627 1.00 0.00 C ATOM 582 C GLY A 37 -11.105 -10.885 9.592 1.00 0.00 C ATOM 583 O GLY A 37 -12.043 -10.725 8.837 1.00 0.00 O ATOM 0 H GLY A 37 -9.320 -12.003 11.836 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.679 -12.920 10.189 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -12.093 -12.235 10.964 1.00 0.00 H new ATOM 587 N VAL A 38 -10.071 -10.096 9.582 1.00 0.00 N ATOM 588 CA VAL A 38 -9.984 -8.951 8.639 1.00 0.00 C ATOM 589 C VAL A 38 -8.510 -8.734 8.297 1.00 0.00 C ATOM 590 O VAL A 38 -7.634 -9.194 9.002 1.00 0.00 O ATOM 591 CB VAL A 38 -10.575 -7.710 9.323 1.00 0.00 C ATOM 592 CG1 VAL A 38 -11.563 -7.021 8.381 1.00 0.00 C ATOM 593 CG2 VAL A 38 -11.320 -8.134 10.592 1.00 0.00 C ATOM 0 H VAL A 38 -9.266 -10.199 10.200 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.541 -9.143 7.722 1.00 0.00 H new ATOM 0 HB VAL A 38 -9.766 -7.024 9.575 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -11.980 -6.141 8.871 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -11.047 -6.719 7.470 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -12.368 -7.712 8.130 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -11.740 -7.254 11.079 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -12.124 -8.822 10.329 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -10.627 -8.629 11.273 1.00 0.00 H new ATOM 603 N PRO A 39 -8.289 -8.067 7.207 1.00 0.00 N ATOM 604 CA PRO A 39 -6.936 -7.791 6.701 1.00 0.00 C ATOM 605 C PRO A 39 -6.267 -6.643 7.468 1.00 0.00 C ATOM 606 O PRO A 39 -6.891 -5.659 7.810 1.00 0.00 O ATOM 607 CB PRO A 39 -7.180 -7.436 5.232 1.00 0.00 C ATOM 608 CG PRO A 39 -8.663 -7.000 5.124 1.00 0.00 C ATOM 609 CD PRO A 39 -9.373 -7.520 6.377 1.00 0.00 C ATOM 0 HA PRO A 39 -6.253 -8.632 6.824 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -6.516 -6.634 4.912 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -6.980 -8.292 4.588 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -8.742 -5.915 5.058 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -9.121 -7.409 4.223 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -9.905 -6.721 6.893 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -10.109 -8.285 6.129 1.00 0.00 H new ATOM 617 N ALA A 40 -4.992 -6.778 7.729 1.00 0.00 N ATOM 618 CA ALA A 40 -4.233 -5.726 8.473 1.00 0.00 C ATOM 619 C ALA A 40 -4.557 -4.349 7.905 1.00 0.00 C ATOM 620 O ALA A 40 -4.470 -3.346 8.586 1.00 0.00 O ATOM 621 CB ALA A 40 -2.744 -5.987 8.283 1.00 0.00 C ATOM 0 H ALA A 40 -4.435 -7.587 7.453 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.506 -5.756 9.528 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.171 -5.230 8.818 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.495 -6.974 8.673 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.500 -5.944 7.222 1.00 0.00 H new ATOM 627 N ASP A 41 -4.915 -4.292 6.658 1.00 0.00 N ATOM 628 CA ASP A 41 -5.229 -2.979 6.035 1.00 0.00 C ATOM 629 C ASP A 41 -6.370 -2.308 6.803 1.00 0.00 C ATOM 630 O ASP A 41 -6.195 -1.268 7.407 1.00 0.00 O ATOM 631 CB ASP A 41 -5.637 -3.190 4.576 1.00 0.00 C ATOM 632 CG ASP A 41 -5.576 -1.857 3.828 1.00 0.00 C ATOM 633 OD1 ASP A 41 -4.547 -1.206 3.900 1.00 0.00 O ATOM 634 OD2 ASP A 41 -6.560 -1.508 3.194 1.00 0.00 O ATOM 0 H ASP A 41 -5.005 -5.099 6.040 1.00 0.00 H new ATOM 0 HA ASP A 41 -4.348 -2.338 6.071 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.974 -3.914 4.103 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -6.645 -3.601 4.526 1.00 0.00 H new ATOM 639 N GLN A 42 -7.534 -2.899 6.796 1.00 0.00 N ATOM 640 CA GLN A 42 -8.680 -2.298 7.537 1.00 0.00 C ATOM 641 C GLN A 42 -8.324 -2.228 9.020 1.00 0.00 C ATOM 642 O GLN A 42 -8.559 -1.246 9.693 1.00 0.00 O ATOM 643 CB GLN A 42 -9.911 -3.184 7.366 1.00 0.00 C ATOM 644 CG GLN A 42 -10.457 -3.038 5.945 1.00 0.00 C ATOM 645 CD GLN A 42 -11.282 -4.273 5.584 1.00 0.00 C ATOM 646 OE1 GLN A 42 -10.744 -5.274 5.156 1.00 0.00 O ATOM 647 NE2 GLN A 42 -12.576 -4.245 5.744 1.00 0.00 N ATOM 0 H GLN A 42 -7.741 -3.771 6.310 1.00 0.00 H new ATOM 0 HA GLN A 42 -8.888 -1.300 7.151 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -9.652 -4.225 7.561 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -10.676 -2.904 8.090 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -11.073 -2.142 5.872 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -9.635 -2.918 5.239 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -13.027 -3.404 6.104 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -13.137 -5.064 5.510 1.00 0.00 H new ATOM 656 N LEU A 43 -7.750 -3.280 9.514 1.00 0.00 N ATOM 657 CA LEU A 43 -7.344 -3.343 10.942 1.00 0.00 C ATOM 658 C LEU A 43 -6.234 -2.328 11.196 1.00 0.00 C ATOM 659 O LEU A 43 -5.384 -2.117 10.355 1.00 0.00 O ATOM 660 CB LEU A 43 -6.794 -4.737 11.187 1.00 0.00 C ATOM 661 CG LEU A 43 -7.290 -5.273 12.515 1.00 0.00 C ATOM 662 CD1 LEU A 43 -8.790 -5.561 12.428 1.00 0.00 C ATOM 663 CD2 LEU A 43 -6.542 -6.563 12.805 1.00 0.00 C ATOM 0 H LEU A 43 -7.539 -4.121 8.977 1.00 0.00 H new ATOM 0 HA LEU A 43 -8.188 -3.126 11.596 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -7.101 -5.403 10.381 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.704 -4.711 11.182 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.118 -4.544 13.307 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -9.143 -5.946 13.385 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -9.324 -4.641 12.188 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.974 -6.301 11.649 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.879 -6.973 13.757 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.737 -7.283 12.011 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.472 -6.360 12.856 1.00 0.00 H new ATOM 675 N ARG A 44 -6.201 -1.709 12.347 1.00 0.00 N ATOM 676 CA ARG A 44 -5.097 -0.743 12.590 1.00 0.00 C ATOM 677 C ARG A 44 -4.793 -0.619 14.073 1.00 0.00 C ATOM 678 O ARG A 44 -5.606 -0.199 14.870 1.00 0.00 O ATOM 679 CB ARG A 44 -5.425 0.612 11.979 1.00 0.00 C ATOM 680 CG ARG A 44 -4.482 0.815 10.790 1.00 0.00 C ATOM 681 CD ARG A 44 -5.290 0.898 9.495 1.00 0.00 C ATOM 682 NE ARG A 44 -5.094 2.237 8.872 1.00 0.00 N ATOM 683 CZ ARG A 44 -3.887 2.711 8.716 1.00 0.00 C ATOM 684 NH1 ARG A 44 -2.954 1.959 8.200 1.00 0.00 N ATOM 685 NH2 ARG A 44 -3.612 3.934 9.082 1.00 0.00 N ATOM 0 H ARG A 44 -6.871 -1.827 13.107 1.00 0.00 H new ATOM 0 HA ARG A 44 -4.200 -1.124 12.103 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -6.465 0.646 11.655 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.294 1.407 12.713 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -3.902 1.728 10.926 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.771 -0.009 10.733 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -4.974 0.115 8.806 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -6.347 0.733 9.702 1.00 0.00 H new ATOM 0 HE ARG A 44 -5.901 2.782 8.568 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.168 1.002 7.919 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -2.011 2.328 8.078 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -4.340 4.520 9.490 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -2.669 4.303 8.960 1.00 0.00 H new ATOM 699 N VAL A 45 -3.606 -1.007 14.427 1.00 0.00 N ATOM 700 CA VAL A 45 -3.169 -0.969 15.839 1.00 0.00 C ATOM 701 C VAL A 45 -2.454 0.336 16.160 1.00 0.00 C ATOM 702 O VAL A 45 -1.469 0.693 15.545 1.00 0.00 O ATOM 703 CB VAL A 45 -2.202 -2.119 16.061 1.00 0.00 C ATOM 704 CG1 VAL A 45 -2.116 -2.426 17.551 1.00 0.00 C ATOM 705 CG2 VAL A 45 -2.718 -3.340 15.306 1.00 0.00 C ATOM 0 H VAL A 45 -2.903 -1.358 13.777 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.044 -1.049 16.484 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.209 -1.854 15.697 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -1.423 -3.251 17.713 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -1.761 -1.544 18.084 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.102 -2.703 17.923 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.034 -4.176 15.455 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.706 -3.608 15.680 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -2.783 -3.110 14.243 1.00 0.00 H new ATOM 715 N ILE A 46 -2.927 1.027 17.148 1.00 0.00 N ATOM 716 CA ILE A 46 -2.275 2.290 17.559 1.00 0.00 C ATOM 717 C ILE A 46 -2.040 2.209 19.070 1.00 0.00 C ATOM 718 O ILE A 46 -2.959 2.048 19.842 1.00 0.00 O ATOM 719 CB ILE A 46 -3.187 3.451 17.181 1.00 0.00 C ATOM 720 CG1 ILE A 46 -3.440 3.385 15.664 1.00 0.00 C ATOM 721 CG2 ILE A 46 -2.516 4.781 17.540 1.00 0.00 C ATOM 722 CD1 ILE A 46 -4.941 3.511 15.396 1.00 0.00 C ATOM 0 H ILE A 46 -3.748 0.768 17.695 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.318 2.446 17.061 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.129 3.383 17.725 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.900 4.186 15.158 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.065 2.444 15.262 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.174 5.606 17.267 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.321 4.812 18.612 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.575 4.872 16.997 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.124 3.465 14.322 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.469 2.695 15.890 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -5.301 4.463 15.785 1.00 0.00 H new ATOM 734 N PHE A 47 -0.810 2.262 19.493 1.00 0.00 N ATOM 735 CA PHE A 47 -0.510 2.110 20.948 1.00 0.00 C ATOM 736 C PHE A 47 -0.606 3.436 21.691 1.00 0.00 C ATOM 737 O PHE A 47 0.029 4.405 21.343 1.00 0.00 O ATOM 738 CB PHE A 47 0.905 1.603 21.093 1.00 0.00 C ATOM 739 CG PHE A 47 1.428 2.083 22.406 1.00 0.00 C ATOM 740 CD1 PHE A 47 2.038 3.337 22.498 1.00 0.00 C ATOM 741 CD2 PHE A 47 1.306 1.267 23.526 1.00 0.00 C ATOM 742 CE1 PHE A 47 2.540 3.776 23.730 1.00 0.00 C ATOM 743 CE2 PHE A 47 1.801 1.702 24.761 1.00 0.00 C ATOM 744 CZ PHE A 47 2.423 2.955 24.862 1.00 0.00 C ATOM 0 H PHE A 47 0.004 2.404 18.895 1.00 0.00 H new ATOM 0 HA PHE A 47 -1.240 1.420 21.371 1.00 0.00 H new ATOM 0 HB2 PHE A 47 0.927 0.514 21.048 1.00 0.00 H new ATOM 0 HB3 PHE A 47 1.528 1.969 20.277 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.122 3.965 21.623 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.831 0.301 23.443 1.00 0.00 H new ATOM 0 HE1 PHE A 47 3.015 4.743 23.808 1.00 0.00 H new ATOM 0 HE2 PHE A 47 1.704 1.074 25.634 1.00 0.00 H new ATOM 0 HZ PHE A 47 2.813 3.289 25.812 1.00 0.00 H new ATOM 754 N ALA A 48 -1.374 3.467 22.747 1.00 0.00 N ATOM 755 CA ALA A 48 -1.505 4.716 23.551 1.00 0.00 C ATOM 756 C ALA A 48 -2.070 5.840 22.687 1.00 0.00 C ATOM 757 O ALA A 48 -2.081 6.990 23.076 1.00 0.00 O ATOM 758 CB ALA A 48 -0.130 5.128 24.063 1.00 0.00 C ATOM 0 H ALA A 48 -1.919 2.676 23.089 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.179 4.532 24.388 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.220 6.041 24.652 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.279 4.333 24.686 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.535 5.305 23.218 1.00 0.00 H new ATOM 764 N GLY A 49 -2.540 5.518 21.521 1.00 0.00 N ATOM 765 CA GLY A 49 -3.105 6.568 20.634 1.00 0.00 C ATOM 766 C GLY A 49 -1.984 7.230 19.830 1.00 0.00 C ATOM 767 O GLY A 49 -2.148 8.316 19.310 1.00 0.00 O ATOM 0 H GLY A 49 -2.558 4.572 21.141 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -3.839 6.129 19.958 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -3.628 7.316 21.229 1.00 0.00 H new ATOM 771 N LYS A 50 -0.844 6.598 19.717 1.00 0.00 N ATOM 772 CA LYS A 50 0.257 7.219 18.942 1.00 0.00 C ATOM 773 C LYS A 50 0.311 6.588 17.552 1.00 0.00 C ATOM 774 O LYS A 50 0.488 5.395 17.405 1.00 0.00 O ATOM 775 CB LYS A 50 1.579 6.990 19.670 1.00 0.00 C ATOM 776 CG LYS A 50 1.353 7.144 21.173 1.00 0.00 C ATOM 777 CD LYS A 50 1.011 8.600 21.496 1.00 0.00 C ATOM 778 CE LYS A 50 2.079 9.177 22.424 1.00 0.00 C ATOM 779 NZ LYS A 50 1.655 9.007 23.842 1.00 0.00 N ATOM 0 H LYS A 50 -0.634 5.687 20.126 1.00 0.00 H new ATOM 0 HA LYS A 50 0.084 8.291 18.844 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.964 5.995 19.447 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.327 7.705 19.327 1.00 0.00 H new ATOM 0 HG2 LYS A 50 0.544 6.490 21.498 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.247 6.841 21.718 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.957 9.185 20.578 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.031 8.659 21.970 1.00 0.00 H new ATOM 0 HE2 LYS A 50 3.031 8.674 22.256 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.234 10.233 22.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.383 9.400 24.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.756 9.506 23.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 1.529 7.995 24.048 1.00 0.00 H new ATOM 793 N GLU A 51 0.149 7.384 16.531 1.00 0.00 N ATOM 794 CA GLU A 51 0.175 6.841 15.144 1.00 0.00 C ATOM 795 C GLU A 51 1.607 6.476 14.751 1.00 0.00 C ATOM 796 O GLU A 51 2.420 7.331 14.458 1.00 0.00 O ATOM 797 CB GLU A 51 -0.366 7.896 14.177 1.00 0.00 C ATOM 798 CG GLU A 51 -0.802 7.219 12.877 1.00 0.00 C ATOM 799 CD GLU A 51 -2.167 7.763 12.449 1.00 0.00 C ATOM 800 OE1 GLU A 51 -2.654 8.667 13.107 1.00 0.00 O ATOM 801 OE2 GLU A 51 -2.700 7.267 11.471 1.00 0.00 O ATOM 0 H GLU A 51 -0.001 8.391 16.598 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.446 5.946 15.098 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.209 8.420 14.628 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.400 8.643 13.971 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.065 7.401 12.095 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.857 6.140 13.018 1.00 0.00 H new ATOM 808 N LEU A 52 1.920 5.209 14.733 1.00 0.00 N ATOM 809 CA LEU A 52 3.296 4.787 14.348 1.00 0.00 C ATOM 810 C LEU A 52 3.292 4.321 12.898 1.00 0.00 C ATOM 811 O LEU A 52 2.323 3.750 12.434 1.00 0.00 O ATOM 812 CB LEU A 52 3.752 3.625 15.230 1.00 0.00 C ATOM 813 CG LEU A 52 2.994 3.664 16.550 1.00 0.00 C ATOM 814 CD1 LEU A 52 3.494 2.544 17.462 1.00 0.00 C ATOM 815 CD2 LEU A 52 3.236 5.018 17.217 1.00 0.00 C ATOM 0 H LEU A 52 1.282 4.448 14.968 1.00 0.00 H new ATOM 0 HA LEU A 52 3.973 5.632 14.474 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.573 2.677 14.723 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.825 3.691 15.412 1.00 0.00 H new ATOM 0 HG LEU A 52 1.928 3.526 16.370 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.950 2.574 18.406 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.330 1.581 16.979 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.559 2.678 17.652 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.698 5.058 18.164 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.303 5.148 17.400 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.880 5.814 16.563 1.00 0.00 H new ATOM 827 N PRO A 53 4.386 4.550 12.232 1.00 0.00 N ATOM 828 CA PRO A 53 4.553 4.137 10.838 1.00 0.00 C ATOM 829 C PRO A 53 4.814 2.631 10.796 1.00 0.00 C ATOM 830 O PRO A 53 5.588 2.094 11.564 1.00 0.00 O ATOM 831 CB PRO A 53 5.744 4.957 10.351 1.00 0.00 C ATOM 832 CG PRO A 53 6.522 5.389 11.613 1.00 0.00 C ATOM 833 CD PRO A 53 5.556 5.237 12.808 1.00 0.00 C ATOM 0 HA PRO A 53 3.681 4.309 10.207 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.377 4.367 9.688 1.00 0.00 H new ATOM 0 HB3 PRO A 53 5.411 5.826 9.784 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.408 4.770 11.751 1.00 0.00 H new ATOM 0 HG3 PRO A 53 6.865 6.420 11.522 1.00 0.00 H new ATOM 0 HD2 PRO A 53 6.005 4.655 13.613 1.00 0.00 H new ATOM 0 HD3 PRO A 53 5.284 6.205 13.228 1.00 0.00 H new ATOM 841 N ASN A 54 4.124 1.953 9.934 1.00 0.00 N ATOM 842 CA ASN A 54 4.248 0.472 9.840 1.00 0.00 C ATOM 843 C ASN A 54 5.709 0.013 9.731 1.00 0.00 C ATOM 844 O ASN A 54 6.008 -1.142 9.964 1.00 0.00 O ATOM 845 CB ASN A 54 3.504 0.005 8.592 1.00 0.00 C ATOM 846 CG ASN A 54 2.133 0.681 8.534 1.00 0.00 C ATOM 847 OD1 ASN A 54 1.255 0.364 9.312 1.00 0.00 O ATOM 848 ND2 ASN A 54 1.911 1.604 7.639 1.00 0.00 N ATOM 0 H ASN A 54 3.465 2.367 9.275 1.00 0.00 H new ATOM 0 HA ASN A 54 3.828 0.043 10.750 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.080 0.249 7.699 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.387 -1.079 8.609 1.00 0.00 H new ATOM 0 HD21 ASN A 54 1.000 2.060 7.592 1.00 0.00 H new ATOM 0 HD22 ASN A 54 2.649 1.869 6.986 1.00 0.00 H new ATOM 855 N HIS A 55 6.620 0.866 9.348 1.00 0.00 N ATOM 856 CA HIS A 55 8.032 0.395 9.205 1.00 0.00 C ATOM 857 C HIS A 55 8.821 0.604 10.500 1.00 0.00 C ATOM 858 O HIS A 55 10.037 0.617 10.494 1.00 0.00 O ATOM 859 CB HIS A 55 8.716 1.140 8.055 1.00 0.00 C ATOM 860 CG HIS A 55 8.394 2.607 8.134 1.00 0.00 C ATOM 861 ND1 HIS A 55 7.422 3.193 7.339 1.00 0.00 N ATOM 862 CD2 HIS A 55 8.909 3.620 8.904 1.00 0.00 C ATOM 863 CE1 HIS A 55 7.382 4.503 7.645 1.00 0.00 C ATOM 864 NE2 HIS A 55 8.268 4.816 8.594 1.00 0.00 N ATOM 0 H HIS A 55 6.456 1.849 9.131 1.00 0.00 H new ATOM 0 HA HIS A 55 8.012 -0.673 8.988 1.00 0.00 H new ATOM 0 HB2 HIS A 55 9.795 0.992 8.105 1.00 0.00 H new ATOM 0 HB3 HIS A 55 8.383 0.736 7.099 1.00 0.00 H new ATOM 0 HD2 HIS A 55 9.692 3.506 9.639 1.00 0.00 H new ATOM 0 HE1 HIS A 55 6.715 5.214 7.180 1.00 0.00 H new ATOM 0 HE2 HIS A 55 8.438 5.734 9.004 1.00 0.00 H new ATOM 872 N LEU A 56 8.158 0.738 11.612 1.00 0.00 N ATOM 873 CA LEU A 56 8.906 0.908 12.888 1.00 0.00 C ATOM 874 C LEU A 56 8.824 -0.399 13.677 1.00 0.00 C ATOM 875 O LEU A 56 8.035 -1.270 13.369 1.00 0.00 O ATOM 876 CB LEU A 56 8.308 2.053 13.705 1.00 0.00 C ATOM 877 CG LEU A 56 8.869 3.385 13.200 1.00 0.00 C ATOM 878 CD1 LEU A 56 8.372 4.523 14.096 1.00 0.00 C ATOM 879 CD2 LEU A 56 10.400 3.349 13.227 1.00 0.00 C ATOM 0 H LEU A 56 7.141 0.738 11.694 1.00 0.00 H new ATOM 0 HA LEU A 56 9.947 1.150 12.675 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.221 2.047 13.619 1.00 0.00 H new ATOM 0 HB3 LEU A 56 8.545 1.923 14.761 1.00 0.00 H new ATOM 0 HG LEU A 56 8.531 3.550 12.177 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.772 5.471 13.736 1.00 0.00 H new ATOM 0 HD12 LEU A 56 7.283 4.556 14.072 1.00 0.00 H new ATOM 0 HD13 LEU A 56 8.707 4.353 15.119 1.00 0.00 H new ATOM 0 HD21 LEU A 56 10.793 4.300 12.866 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.742 3.179 14.248 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.756 2.543 12.586 1.00 0.00 H new ATOM 891 N THR A 57 9.645 -0.558 14.673 1.00 0.00 N ATOM 892 CA THR A 57 9.621 -1.823 15.454 1.00 0.00 C ATOM 893 C THR A 57 8.678 -1.704 16.652 1.00 0.00 C ATOM 894 O THR A 57 8.163 -0.648 16.957 1.00 0.00 O ATOM 895 CB THR A 57 11.032 -2.146 15.937 1.00 0.00 C ATOM 896 OG1 THR A 57 11.803 -0.954 15.970 1.00 0.00 O ATOM 897 CG2 THR A 57 11.668 -3.147 14.973 1.00 0.00 C ATOM 0 H THR A 57 10.331 0.132 14.980 1.00 0.00 H new ATOM 0 HA THR A 57 9.258 -2.625 14.811 1.00 0.00 H new ATOM 0 HB THR A 57 10.995 -2.575 16.938 1.00 0.00 H new ATOM 0 HG1 THR A 57 12.709 -1.159 16.282 1.00 0.00 H new ATOM 0 HG21 THR A 57 12.677 -3.385 15.309 1.00 0.00 H new ATOM 0 HG22 THR A 57 11.070 -4.058 14.947 1.00 0.00 H new ATOM 0 HG23 THR A 57 11.711 -2.713 13.974 1.00 0.00 H new ATOM 905 N VAL A 58 8.443 -2.800 17.319 1.00 0.00 N ATOM 906 CA VAL A 58 7.526 -2.797 18.491 1.00 0.00 C ATOM 907 C VAL A 58 8.041 -1.839 19.576 1.00 0.00 C ATOM 908 O VAL A 58 7.284 -1.137 20.212 1.00 0.00 O ATOM 909 CB VAL A 58 7.441 -4.224 19.043 1.00 0.00 C ATOM 910 CG1 VAL A 58 7.028 -4.183 20.516 1.00 0.00 C ATOM 911 CG2 VAL A 58 6.394 -5.005 18.239 1.00 0.00 C ATOM 0 H VAL A 58 8.853 -3.708 17.098 1.00 0.00 H new ATOM 0 HA VAL A 58 6.538 -2.455 18.183 1.00 0.00 H new ATOM 0 HB VAL A 58 8.413 -4.710 18.958 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.968 -5.199 20.906 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.767 -3.619 21.085 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.054 -3.702 20.608 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.325 -6.023 18.623 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.425 -4.515 18.332 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.687 -5.033 17.190 1.00 0.00 H new ATOM 921 N GLN A 59 9.322 -1.798 19.793 1.00 0.00 N ATOM 922 CA GLN A 59 9.874 -0.885 20.838 1.00 0.00 C ATOM 923 C GLN A 59 10.208 0.466 20.216 1.00 0.00 C ATOM 924 O GLN A 59 11.014 1.218 20.724 1.00 0.00 O ATOM 925 CB GLN A 59 11.150 -1.493 21.384 1.00 0.00 C ATOM 926 CG GLN A 59 10.848 -2.230 22.689 1.00 0.00 C ATOM 927 CD GLN A 59 12.145 -2.429 23.479 1.00 0.00 C ATOM 928 OE1 GLN A 59 12.149 -2.346 24.690 1.00 0.00 O ATOM 929 NE2 GLN A 59 13.255 -2.690 22.842 1.00 0.00 N ATOM 0 H GLN A 59 10.015 -2.356 19.294 1.00 0.00 H new ATOM 0 HA GLN A 59 9.139 -0.751 21.632 1.00 0.00 H new ATOM 0 HB2 GLN A 59 11.577 -2.182 20.656 1.00 0.00 H new ATOM 0 HB3 GLN A 59 11.891 -0.713 21.558 1.00 0.00 H new ATOM 0 HG2 GLN A 59 10.133 -1.661 23.283 1.00 0.00 H new ATOM 0 HG3 GLN A 59 10.389 -3.195 22.475 1.00 0.00 H new ATOM 0 HE21 GLN A 59 13.255 -2.760 21.824 1.00 0.00 H new ATOM 0 HE22 GLN A 59 14.122 -2.824 23.362 1.00 0.00 H new ATOM 938 N ASN A 60 9.597 0.767 19.118 1.00 0.00 N ATOM 939 CA ASN A 60 9.876 2.070 18.442 1.00 0.00 C ATOM 940 C ASN A 60 9.033 3.165 19.088 1.00 0.00 C ATOM 941 O ASN A 60 9.550 4.087 19.689 1.00 0.00 O ATOM 942 CB ASN A 60 9.540 1.969 16.953 1.00 0.00 C ATOM 943 CG ASN A 60 10.536 2.817 16.166 1.00 0.00 C ATOM 944 OD1 ASN A 60 10.365 4.108 16.104 1.00 0.00 O flip ATOM 945 ND2 ASN A 60 11.483 2.302 15.608 1.00 0.00 N flip ATOM 0 H ASN A 60 8.913 0.172 18.650 1.00 0.00 H new ATOM 0 HA ASN A 60 10.933 2.313 18.549 1.00 0.00 H new ATOM 0 HB2 ASN A 60 9.586 0.931 16.625 1.00 0.00 H new ATOM 0 HB3 ASN A 60 8.523 2.315 16.771 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.616 1.292 15.657 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.146 2.879 15.090 1.00 0.00 H new ATOM 952 N CYS A 61 7.738 3.051 19.009 1.00 0.00 N ATOM 953 CA CYS A 61 6.870 4.063 19.663 1.00 0.00 C ATOM 954 C CYS A 61 6.962 3.831 21.168 1.00 0.00 C ATOM 955 O CYS A 61 6.608 4.681 21.959 1.00 0.00 O ATOM 956 CB CYS A 61 5.422 3.890 19.200 1.00 0.00 C ATOM 957 SG CYS A 61 4.300 4.441 20.509 1.00 0.00 S ATOM 0 H CYS A 61 7.246 2.303 18.521 1.00 0.00 H new ATOM 0 HA CYS A 61 7.191 5.072 19.404 1.00 0.00 H new ATOM 0 HB2 CYS A 61 5.248 4.466 18.291 1.00 0.00 H new ATOM 0 HB3 CYS A 61 5.229 2.845 18.957 1.00 0.00 H new ATOM 0 HG CYS A 61 3.658 3.418 20.989 1.00 0.00 H new ATOM 963 N ASP A 62 7.447 2.662 21.540 1.00 0.00 N ATOM 964 CA ASP A 62 7.610 2.276 22.970 1.00 0.00 C ATOM 965 C ASP A 62 6.541 1.252 23.346 1.00 0.00 C ATOM 966 O ASP A 62 6.126 1.179 24.484 1.00 0.00 O ATOM 967 CB ASP A 62 7.510 3.490 23.902 1.00 0.00 C ATOM 968 CG ASP A 62 8.170 3.156 25.241 1.00 0.00 C ATOM 969 OD1 ASP A 62 9.306 2.707 25.225 1.00 0.00 O ATOM 970 OD2 ASP A 62 7.530 3.354 26.261 1.00 0.00 O ATOM 0 H ASP A 62 7.744 1.942 20.881 1.00 0.00 H new ATOM 0 HA ASP A 62 8.604 1.844 23.090 1.00 0.00 H new ATOM 0 HB2 ASP A 62 7.998 4.352 23.448 1.00 0.00 H new ATOM 0 HB3 ASP A 62 6.465 3.760 24.056 1.00 0.00 H new ATOM 975 N LEU A 63 6.110 0.426 22.420 1.00 0.00 N ATOM 976 CA LEU A 63 5.095 -0.601 22.810 1.00 0.00 C ATOM 977 C LEU A 63 5.742 -1.445 23.897 1.00 0.00 C ATOM 978 O LEU A 63 5.379 -1.393 25.055 1.00 0.00 O ATOM 979 CB LEU A 63 4.745 -1.487 21.634 1.00 0.00 C ATOM 980 CG LEU A 63 4.024 -0.649 20.596 1.00 0.00 C ATOM 981 CD1 LEU A 63 4.682 -0.890 19.255 1.00 0.00 C ATOM 982 CD2 LEU A 63 2.554 -1.057 20.546 1.00 0.00 C ATOM 0 H LEU A 63 6.406 0.417 21.444 1.00 0.00 H new ATOM 0 HA LEU A 63 4.176 -0.123 23.150 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.648 -1.924 21.207 1.00 0.00 H new ATOM 0 HB3 LEU A 63 4.113 -2.314 21.958 1.00 0.00 H new ATOM 0 HG LEU A 63 4.081 0.410 20.850 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.179 -0.297 18.491 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.731 -0.600 19.307 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.610 -1.947 18.999 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.035 -0.455 19.800 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.478 -2.111 20.279 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.098 -0.896 21.523 1.00 0.00 H new ATOM 994 N GLU A 64 6.747 -2.184 23.517 1.00 0.00 N ATOM 995 CA GLU A 64 7.503 -3.008 24.503 1.00 0.00 C ATOM 996 C GLU A 64 6.611 -4.059 25.164 1.00 0.00 C ATOM 997 O GLU A 64 5.399 -4.001 25.108 1.00 0.00 O ATOM 998 CB GLU A 64 8.062 -2.082 25.586 1.00 0.00 C ATOM 999 CG GLU A 64 9.579 -2.256 25.682 1.00 0.00 C ATOM 1000 CD GLU A 64 10.006 -2.209 27.150 1.00 0.00 C ATOM 1001 OE1 GLU A 64 9.630 -3.108 27.885 1.00 0.00 O ATOM 1002 OE2 GLU A 64 10.702 -1.276 27.517 1.00 0.00 O ATOM 0 H GLU A 64 7.081 -2.253 22.556 1.00 0.00 H new ATOM 0 HA GLU A 64 8.303 -3.527 23.975 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.819 -1.045 25.352 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.599 -2.309 26.546 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.876 -3.205 25.236 1.00 0.00 H new ATOM 0 HG3 GLU A 64 10.082 -1.469 25.120 1.00 0.00 H new ATOM 1009 N GLN A 65 7.231 -5.011 25.808 1.00 0.00 N ATOM 1010 CA GLN A 65 6.478 -6.084 26.514 1.00 0.00 C ATOM 1011 C GLN A 65 5.321 -5.460 27.298 1.00 0.00 C ATOM 1012 O GLN A 65 5.515 -4.558 28.088 1.00 0.00 O ATOM 1013 CB GLN A 65 7.435 -6.797 27.472 1.00 0.00 C ATOM 1014 CG GLN A 65 8.428 -5.789 28.043 1.00 0.00 C ATOM 1015 CD GLN A 65 9.819 -6.067 27.471 1.00 0.00 C ATOM 1016 OE1 GLN A 65 9.934 -6.492 26.242 1.00 0.00 O flip ATOM 1017 NE2 GLN A 65 10.812 -5.899 28.150 1.00 0.00 N flip ATOM 0 H GLN A 65 8.246 -5.090 25.875 1.00 0.00 H new ATOM 0 HA GLN A 65 6.073 -6.799 25.798 1.00 0.00 H new ATOM 0 HB2 GLN A 65 6.874 -7.268 28.279 1.00 0.00 H new ATOM 0 HB3 GLN A 65 7.967 -7.591 26.948 1.00 0.00 H new ATOM 0 HG2 GLN A 65 8.117 -4.774 27.795 1.00 0.00 H new ATOM 0 HG3 GLN A 65 8.449 -5.859 29.131 1.00 0.00 H new ATOM 0 HE21 GLN A 65 10.723 -5.567 29.110 1.00 0.00 H new ATOM 0 HE22 GLN A 65 11.735 -6.090 27.760 1.00 0.00 H new ATOM 1026 N GLN A 66 4.112 -5.908 27.068 1.00 0.00 N ATOM 1027 CA GLN A 66 2.958 -5.311 27.783 1.00 0.00 C ATOM 1028 C GLN A 66 2.688 -3.953 27.137 1.00 0.00 C ATOM 1029 O GLN A 66 3.461 -3.025 27.275 1.00 0.00 O ATOM 1030 CB GLN A 66 3.307 -5.128 29.263 1.00 0.00 C ATOM 1031 CG GLN A 66 2.027 -5.116 30.100 1.00 0.00 C ATOM 1032 CD GLN A 66 2.388 -4.905 31.572 1.00 0.00 C ATOM 1033 OE1 GLN A 66 2.171 -5.775 32.393 1.00 0.00 O ATOM 1034 NE2 GLN A 66 2.934 -3.781 31.943 1.00 0.00 N ATOM 0 H GLN A 66 3.881 -6.659 26.417 1.00 0.00 H new ATOM 0 HA GLN A 66 2.079 -5.953 27.718 1.00 0.00 H new ATOM 0 HB2 GLN A 66 3.961 -5.934 29.594 1.00 0.00 H new ATOM 0 HB3 GLN A 66 3.854 -4.196 29.405 1.00 0.00 H new ATOM 0 HG2 GLN A 66 1.363 -4.322 29.759 1.00 0.00 H new ATOM 0 HG3 GLN A 66 1.489 -6.056 29.977 1.00 0.00 H new ATOM 0 HE21 GLN A 66 3.116 -3.051 31.254 1.00 0.00 H new ATOM 0 HE22 GLN A 66 3.179 -3.632 32.922 1.00 0.00 H new ATOM 1043 N SER A 67 1.624 -3.839 26.402 1.00 0.00 N ATOM 1044 CA SER A 67 1.330 -2.556 25.709 1.00 0.00 C ATOM 1045 C SER A 67 -0.108 -2.590 25.234 1.00 0.00 C ATOM 1046 O SER A 67 -0.490 -3.442 24.461 1.00 0.00 O ATOM 1047 CB SER A 67 2.258 -2.423 24.504 1.00 0.00 C ATOM 1048 OG SER A 67 3.060 -1.259 24.651 1.00 0.00 O ATOM 0 H SER A 67 0.941 -4.581 26.249 1.00 0.00 H new ATOM 0 HA SER A 67 1.482 -1.713 26.382 1.00 0.00 H new ATOM 0 HB2 SER A 67 2.891 -3.306 24.420 1.00 0.00 H new ATOM 0 HB3 SER A 67 1.673 -2.362 23.586 1.00 0.00 H new ATOM 0 HG SER A 67 3.810 -1.452 25.251 1.00 0.00 H new ATOM 1054 N ILE A 68 -0.916 -1.681 25.677 1.00 0.00 N ATOM 1055 CA ILE A 68 -2.311 -1.703 25.233 1.00 0.00 C ATOM 1056 C ILE A 68 -2.401 -0.942 23.915 1.00 0.00 C ATOM 1057 O ILE A 68 -2.049 0.217 23.820 1.00 0.00 O ATOM 1058 CB ILE A 68 -3.164 -1.047 26.309 1.00 0.00 C ATOM 1059 CG1 ILE A 68 -3.813 -2.115 27.182 1.00 0.00 C ATOM 1060 CG2 ILE A 68 -4.250 -0.226 25.648 1.00 0.00 C ATOM 1061 CD1 ILE A 68 -2.771 -3.154 27.612 1.00 0.00 C ATOM 0 H ILE A 68 -0.667 -0.932 26.323 1.00 0.00 H new ATOM 0 HA ILE A 68 -2.670 -2.720 25.076 1.00 0.00 H new ATOM 0 HB ILE A 68 -2.533 -0.409 26.928 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -4.261 -1.653 28.062 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -4.619 -2.603 26.633 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.865 0.247 26.413 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.796 0.542 25.022 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.873 -0.875 25.032 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.248 -3.911 28.235 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.343 -3.628 26.728 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -1.980 -2.663 28.179 1.00 0.00 H new ATOM 1073 N VAL A 69 -2.856 -1.604 22.897 1.00 0.00 N ATOM 1074 CA VAL A 69 -2.966 -0.969 21.564 1.00 0.00 C ATOM 1075 C VAL A 69 -4.448 -0.858 21.201 1.00 0.00 C ATOM 1076 O VAL A 69 -5.285 -1.495 21.802 1.00 0.00 O ATOM 1077 CB VAL A 69 -2.267 -1.840 20.524 1.00 0.00 C ATOM 1078 CG1 VAL A 69 -1.067 -1.090 19.944 1.00 0.00 C ATOM 1079 CG2 VAL A 69 -1.791 -3.135 21.178 1.00 0.00 C ATOM 0 H VAL A 69 -3.162 -2.576 22.933 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.502 0.017 21.584 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.968 -2.074 19.722 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.571 -1.716 19.202 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.407 -0.168 19.472 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.366 -0.851 20.744 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.292 -3.756 20.434 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.094 -2.901 21.983 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.647 -3.673 21.585 1.00 0.00 H new ATOM 1089 N HIS A 70 -4.788 -0.069 20.227 1.00 0.00 N ATOM 1090 CA HIS A 70 -6.220 0.052 19.848 1.00 0.00 C ATOM 1091 C HIS A 70 -6.399 -0.361 18.384 1.00 0.00 C ATOM 1092 O HIS A 70 -5.994 0.342 17.479 1.00 0.00 O ATOM 1093 CB HIS A 70 -6.673 1.505 20.029 1.00 0.00 C ATOM 1094 CG HIS A 70 -6.926 1.776 21.489 1.00 0.00 C ATOM 1095 ND1 HIS A 70 -6.688 3.015 22.065 1.00 0.00 N ATOM 1096 CD2 HIS A 70 -7.399 0.977 22.503 1.00 0.00 C ATOM 1097 CE1 HIS A 70 -7.018 2.927 23.367 1.00 0.00 C ATOM 1098 NE2 HIS A 70 -7.456 1.707 23.687 1.00 0.00 N ATOM 0 H HIS A 70 -4.140 0.496 19.678 1.00 0.00 H new ATOM 0 HA HIS A 70 -6.821 -0.599 20.483 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -5.910 2.185 19.649 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -7.579 1.689 19.452 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -7.683 -0.060 22.397 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -6.938 3.745 24.068 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -7.766 1.380 24.602 1.00 0.00 H new ATOM 1106 N ILE A 71 -7.010 -1.490 18.143 1.00 0.00 N ATOM 1107 CA ILE A 71 -7.223 -1.943 16.749 1.00 0.00 C ATOM 1108 C ILE A 71 -8.542 -1.369 16.232 1.00 0.00 C ATOM 1109 O ILE A 71 -9.513 -1.269 16.956 1.00 0.00 O ATOM 1110 CB ILE A 71 -7.211 -3.476 16.693 1.00 0.00 C ATOM 1111 CG1 ILE A 71 -8.599 -4.023 16.430 1.00 0.00 C ATOM 1112 CG2 ILE A 71 -6.663 -4.068 17.985 1.00 0.00 C ATOM 1113 CD1 ILE A 71 -8.704 -4.349 14.948 1.00 0.00 C ATOM 0 H ILE A 71 -7.371 -2.118 18.861 1.00 0.00 H new ATOM 0 HA ILE A 71 -6.418 -1.583 16.108 1.00 0.00 H new ATOM 0 HB ILE A 71 -6.558 -3.765 15.870 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -8.777 -4.916 17.030 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -9.356 -3.292 16.714 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -6.666 -5.156 17.917 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -5.643 -3.717 18.142 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -7.287 -3.755 18.822 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -9.696 -4.745 14.732 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -8.540 -3.444 14.364 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -7.951 -5.092 14.685 1.00 0.00 H new ATOM 1125 N VAL A 72 -8.585 -0.977 14.991 1.00 0.00 N ATOM 1126 CA VAL A 72 -9.842 -0.404 14.440 1.00 0.00 C ATOM 1127 C VAL A 72 -9.981 -0.807 12.972 1.00 0.00 C ATOM 1128 O VAL A 72 -9.024 -0.786 12.221 1.00 0.00 O ATOM 1129 CB VAL A 72 -9.801 1.121 14.553 1.00 0.00 C ATOM 1130 CG1 VAL A 72 -11.224 1.677 14.490 1.00 0.00 C ATOM 1131 CG2 VAL A 72 -9.161 1.514 15.887 1.00 0.00 C ATOM 0 H VAL A 72 -7.805 -1.028 14.335 1.00 0.00 H new ATOM 0 HA VAL A 72 -10.694 -0.784 15.003 1.00 0.00 H new ATOM 0 HB VAL A 72 -9.214 1.530 13.731 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -11.194 2.764 14.571 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -11.683 1.396 13.542 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -11.811 1.268 15.312 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -9.131 2.600 15.970 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -9.749 1.104 16.708 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -8.147 1.118 15.935 1.00 0.00 H new ATOM 1141 N GLN A 73 -11.162 -1.181 12.560 1.00 0.00 N ATOM 1142 CA GLN A 73 -11.365 -1.587 11.142 1.00 0.00 C ATOM 1143 C GLN A 73 -12.387 -0.661 10.480 1.00 0.00 C ATOM 1144 O GLN A 73 -13.500 -0.518 10.947 1.00 0.00 O ATOM 1145 CB GLN A 73 -11.890 -3.022 11.089 1.00 0.00 C ATOM 1146 CG GLN A 73 -12.296 -3.349 9.654 1.00 0.00 C ATOM 1147 CD GLN A 73 -13.770 -3.745 9.608 1.00 0.00 C ATOM 1148 OE1 GLN A 73 -14.560 -3.287 10.409 1.00 0.00 O ATOM 1149 NE2 GLN A 73 -14.179 -4.580 8.691 1.00 0.00 N ATOM 0 H GLN A 73 -11.996 -1.223 13.146 1.00 0.00 H new ATOM 0 HA GLN A 73 -10.413 -1.521 10.615 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -11.123 -3.717 11.431 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -12.744 -3.136 11.757 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -12.122 -2.485 9.012 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -11.680 -4.162 9.269 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -13.515 -4.964 8.019 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -15.162 -4.848 8.647 1.00 0.00 H new