USER MOD reduce.3.24.130724 H: found=0, std=0, add=871, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 869 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 75 THR OG1 : rot 167:sc= 0.429 USER MOD Set 1.2: A 88 GLN : amide:sc= -2.15! C(o=-1.7!,f=-2.9!) USER MOD Set 2.1: A 73 ASN : amide:sc= -0.618 K(o=-2,f=-4.6!) USER MOD Set 2.2: A 92 SER OG : rot -80:sc= -1.4 USER MOD Single : A 1 GLY N :NH3+ -136:sc= 0.0177 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.0567 X(o=-0.057,f=-0.36) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc=0.000813 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 22 LYS NZ :NH3+ -147:sc= 0.126 (180deg=-0.1) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 28:sc= 0.0628 USER MOD Single : A 38 ASN : amide:sc= -0.509 X(o=-0.51,f=-0.78) USER MOD Single : A 40 HIS : no HD1:sc= -2.55! C(o=-2.5!,f=-4.5!) USER MOD Single : A 43 ASN : amide:sc=-0.00114 K(o=-0.0011,f=-0.86) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -42:sc= 0.618 USER MOD Single : A 64 GLN : amide:sc= -0.141 X(o=-0.14,f=0) USER MOD Single : A 66 ASN :FLIP amide:sc= -1.19! C(o=-1.8!,f=-1.2!) USER MOD Single : A 71 MET CE :methyl -113:sc= -0.034 (180deg=-0.58) USER MOD Single : A 77 MET CE :methyl -159:sc= -4.44 (180deg=-4.88!) USER MOD Single : A 82 HIS :FLIP no HD1:sc= -2.21! C(o=-4.9!,f=-2.2!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -0.157 K(o=-0.16,f=-1.9!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= -0.0124 (180deg=-0.0124) USER MOD Single : A 105 LYS NZ :NH3+ 160:sc= -0.0241 (180deg=-0.545) USER MOD Single : A 107 GLN : amide:sc= -0.514 K(o=-0.51,f=-3.5!) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= -0.0436 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.681 -32.149 -10.903 1.00 0.00 N ATOM 2 CA GLY A 1 -3.065 -30.750 -10.880 1.00 0.00 C ATOM 3 C GLY A 1 -4.494 -30.548 -10.415 1.00 0.00 C ATOM 4 O GLY A 1 -4.983 -31.282 -9.555 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.731 -32.255 -10.494 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.361 -32.705 -10.347 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.675 -32.491 -11.885 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.391 -30.202 -10.221 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.948 -30.328 -11.878 1.00 0.00 H new ATOM 8 N SER A 2 -5.164 -29.551 -10.982 1.00 0.00 N ATOM 9 CA SER A 2 -6.544 -29.251 -10.616 1.00 0.00 C ATOM 10 C SER A 2 -7.445 -29.253 -11.847 1.00 0.00 C ATOM 11 O SER A 2 -6.966 -29.279 -12.981 1.00 0.00 O ATOM 12 CB SER A 2 -6.624 -27.895 -9.913 1.00 0.00 C ATOM 13 OG SER A 2 -6.182 -26.852 -10.765 1.00 0.00 O ATOM 0 H SER A 2 -4.774 -28.937 -11.697 1.00 0.00 H new ATOM 0 HA SER A 2 -6.890 -30.027 -9.933 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.651 -27.704 -9.601 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.015 -27.914 -9.009 1.00 0.00 H new ATOM 0 HG SER A 2 -6.244 -25.995 -10.293 1.00 0.00 H new ATOM 19 N SER A 3 -8.754 -29.225 -11.615 1.00 0.00 N ATOM 20 CA SER A 3 -9.723 -29.227 -12.704 1.00 0.00 C ATOM 21 C SER A 3 -9.784 -27.860 -13.380 1.00 0.00 C ATOM 22 O SER A 3 -10.150 -26.864 -12.758 1.00 0.00 O ATOM 23 CB SER A 3 -11.108 -29.612 -12.181 1.00 0.00 C ATOM 24 OG SER A 3 -11.945 -30.059 -13.234 1.00 0.00 O ATOM 0 H SER A 3 -9.167 -29.201 -10.683 1.00 0.00 H new ATOM 0 HA SER A 3 -9.403 -29.963 -13.441 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.012 -30.397 -11.431 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.565 -28.754 -11.688 1.00 0.00 H new ATOM 0 HG SER A 3 -12.824 -30.301 -12.873 1.00 0.00 H new ATOM 30 N GLY A 4 -9.423 -27.823 -14.659 1.00 0.00 N ATOM 31 CA GLY A 4 -9.443 -26.575 -15.399 1.00 0.00 C ATOM 32 C GLY A 4 -10.806 -25.912 -15.382 1.00 0.00 C ATOM 33 O GLY A 4 -11.691 -26.277 -16.156 1.00 0.00 O ATOM 0 H GLY A 4 -9.117 -28.635 -15.196 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.706 -25.893 -14.975 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.147 -26.763 -16.431 1.00 0.00 H new ATOM 37 N SER A 5 -10.978 -24.937 -14.495 1.00 0.00 N ATOM 38 CA SER A 5 -12.245 -24.226 -14.376 1.00 0.00 C ATOM 39 C SER A 5 -12.115 -23.039 -13.427 1.00 0.00 C ATOM 40 O SER A 5 -11.588 -23.168 -12.322 1.00 0.00 O ATOM 41 CB SER A 5 -13.341 -25.172 -13.880 1.00 0.00 C ATOM 42 OG SER A 5 -14.619 -24.567 -13.975 1.00 0.00 O ATOM 0 H SER A 5 -10.255 -24.622 -13.848 1.00 0.00 H new ATOM 0 HA SER A 5 -12.517 -23.852 -15.363 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.326 -26.091 -14.467 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.144 -25.451 -12.845 1.00 0.00 H new ATOM 0 HG SER A 5 -15.302 -25.192 -13.654 1.00 0.00 H new ATOM 48 N SER A 6 -12.600 -21.882 -13.867 1.00 0.00 N ATOM 49 CA SER A 6 -12.534 -20.669 -13.060 1.00 0.00 C ATOM 50 C SER A 6 -13.546 -20.722 -11.919 1.00 0.00 C ATOM 51 O SER A 6 -14.755 -20.721 -12.145 1.00 0.00 O ATOM 52 CB SER A 6 -12.793 -19.438 -13.930 1.00 0.00 C ATOM 53 OG SER A 6 -13.062 -18.297 -13.132 1.00 0.00 O ATOM 0 H SER A 6 -13.043 -21.759 -14.778 1.00 0.00 H new ATOM 0 HA SER A 6 -11.534 -20.599 -12.633 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.926 -19.247 -14.563 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.636 -19.629 -14.594 1.00 0.00 H new ATOM 0 HG SER A 6 -13.223 -17.523 -13.711 1.00 0.00 H new ATOM 59 N GLY A 7 -13.040 -20.767 -10.690 1.00 0.00 N ATOM 60 CA GLY A 7 -13.912 -20.819 -9.530 1.00 0.00 C ATOM 61 C GLY A 7 -13.828 -19.564 -8.685 1.00 0.00 C ATOM 62 O GLY A 7 -14.738 -18.735 -8.701 1.00 0.00 O ATOM 0 H GLY A 7 -12.043 -20.768 -10.477 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.941 -20.963 -9.859 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.648 -21.683 -8.920 1.00 0.00 H new ATOM 66 N MET A 8 -12.735 -19.424 -7.943 1.00 0.00 N ATOM 67 CA MET A 8 -12.536 -18.260 -7.086 1.00 0.00 C ATOM 68 C MET A 8 -12.575 -16.972 -7.902 1.00 0.00 C ATOM 69 O MET A 8 -12.652 -17.007 -9.130 1.00 0.00 O ATOM 70 CB MET A 8 -11.203 -18.368 -6.344 1.00 0.00 C ATOM 71 CG MET A 8 -11.158 -19.506 -5.337 1.00 0.00 C ATOM 72 SD MET A 8 -10.574 -21.051 -6.061 1.00 0.00 S ATOM 73 CE MET A 8 -10.857 -22.188 -4.706 1.00 0.00 C ATOM 0 H MET A 8 -11.973 -20.102 -7.917 1.00 0.00 H new ATOM 0 HA MET A 8 -13.347 -18.233 -6.358 1.00 0.00 H new ATOM 0 HB2 MET A 8 -10.402 -18.505 -7.071 1.00 0.00 H new ATOM 0 HB3 MET A 8 -11.007 -17.429 -5.827 1.00 0.00 H new ATOM 0 HG2 MET A 8 -10.506 -19.228 -4.509 1.00 0.00 H new ATOM 0 HG3 MET A 8 -12.154 -19.658 -4.921 1.00 0.00 H new ATOM 0 HE1 MET A 8 -10.544 -23.190 -5.000 1.00 0.00 H new ATOM 0 HE2 MET A 8 -10.281 -21.869 -3.837 1.00 0.00 H new ATOM 0 HE3 MET A 8 -11.918 -22.198 -4.455 1.00 0.00 H new ATOM 83 N GLU A 9 -12.522 -15.838 -7.212 1.00 0.00 N ATOM 84 CA GLU A 9 -12.552 -14.539 -7.874 1.00 0.00 C ATOM 85 C GLU A 9 -11.160 -13.914 -7.910 1.00 0.00 C ATOM 86 O GLU A 9 -10.203 -14.474 -7.376 1.00 0.00 O ATOM 87 CB GLU A 9 -13.526 -13.600 -7.159 1.00 0.00 C ATOM 88 CG GLU A 9 -13.211 -13.403 -5.686 1.00 0.00 C ATOM 89 CD GLU A 9 -14.266 -12.582 -4.969 1.00 0.00 C ATOM 90 OE1 GLU A 9 -14.592 -11.479 -5.454 1.00 0.00 O ATOM 91 OE2 GLU A 9 -14.766 -13.045 -3.922 1.00 0.00 O ATOM 0 H GLU A 9 -12.458 -15.792 -6.195 1.00 0.00 H new ATOM 0 HA GLU A 9 -12.890 -14.690 -8.899 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -13.515 -12.631 -7.657 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -14.537 -13.996 -7.256 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -13.123 -14.376 -5.204 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -12.244 -12.910 -5.588 1.00 0.00 H new ATOM 98 N GLU A 10 -11.056 -12.750 -8.544 1.00 0.00 N ATOM 99 CA GLU A 10 -9.781 -12.051 -8.651 1.00 0.00 C ATOM 100 C GLU A 10 -9.814 -10.738 -7.873 1.00 0.00 C ATOM 101 O GLU A 10 -10.829 -10.385 -7.273 1.00 0.00 O ATOM 102 CB GLU A 10 -9.445 -11.778 -10.119 1.00 0.00 C ATOM 103 CG GLU A 10 -8.648 -12.891 -10.778 1.00 0.00 C ATOM 104 CD GLU A 10 -7.159 -12.776 -10.515 1.00 0.00 C ATOM 105 OE1 GLU A 10 -6.466 -12.104 -11.307 1.00 0.00 O ATOM 106 OE2 GLU A 10 -6.687 -13.357 -9.515 1.00 0.00 O ATOM 0 H GLU A 10 -11.838 -12.272 -8.991 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.009 -12.689 -8.222 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -10.372 -11.629 -10.673 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.880 -10.849 -10.187 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.005 -13.854 -10.412 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.826 -12.873 -11.853 1.00 0.00 H new ATOM 113 N VAL A 11 -8.696 -10.020 -7.888 1.00 0.00 N ATOM 114 CA VAL A 11 -8.595 -8.746 -7.186 1.00 0.00 C ATOM 115 C VAL A 11 -7.595 -7.820 -7.867 1.00 0.00 C ATOM 116 O VAL A 11 -6.570 -8.268 -8.383 1.00 0.00 O ATOM 117 CB VAL A 11 -8.175 -8.947 -5.718 1.00 0.00 C ATOM 118 CG1 VAL A 11 -6.774 -9.534 -5.639 1.00 0.00 C ATOM 119 CG2 VAL A 11 -8.254 -7.632 -4.957 1.00 0.00 C ATOM 0 H VAL A 11 -7.847 -10.299 -8.379 1.00 0.00 H new ATOM 0 HA VAL A 11 -9.584 -8.290 -7.215 1.00 0.00 H new ATOM 0 HB VAL A 11 -8.865 -9.652 -5.254 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -6.494 -9.669 -4.594 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -6.754 -10.498 -6.147 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -6.068 -8.856 -6.119 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -7.954 -7.792 -3.921 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -7.588 -6.904 -5.419 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.277 -7.257 -4.984 1.00 0.00 H new ATOM 129 N ILE A 12 -7.899 -6.526 -7.866 1.00 0.00 N ATOM 130 CA ILE A 12 -7.025 -5.536 -8.482 1.00 0.00 C ATOM 131 C ILE A 12 -6.237 -4.766 -7.429 1.00 0.00 C ATOM 132 O ILE A 12 -6.772 -3.878 -6.765 1.00 0.00 O ATOM 133 CB ILE A 12 -7.824 -4.538 -9.342 1.00 0.00 C ATOM 134 CG1 ILE A 12 -8.790 -5.284 -10.264 1.00 0.00 C ATOM 135 CG2 ILE A 12 -6.879 -3.662 -10.152 1.00 0.00 C ATOM 136 CD1 ILE A 12 -9.691 -4.369 -11.063 1.00 0.00 C ATOM 0 H ILE A 12 -8.744 -6.139 -7.445 1.00 0.00 H new ATOM 0 HA ILE A 12 -6.332 -6.082 -9.122 1.00 0.00 H new ATOM 0 HB ILE A 12 -8.406 -3.896 -8.681 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -8.216 -5.906 -10.951 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.406 -5.955 -9.665 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.458 -2.962 -10.754 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -6.228 -3.107 -9.476 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -6.273 -4.289 -10.806 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -10.349 -4.966 -11.694 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -10.291 -3.765 -10.383 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -9.083 -3.715 -11.689 1.00 0.00 H new ATOM 148 N TRP A 13 -4.963 -5.110 -7.282 1.00 0.00 N ATOM 149 CA TRP A 13 -4.100 -4.450 -6.309 1.00 0.00 C ATOM 150 C TRP A 13 -3.623 -3.100 -6.833 1.00 0.00 C ATOM 151 O TRP A 13 -2.805 -3.035 -7.751 1.00 0.00 O ATOM 152 CB TRP A 13 -2.898 -5.336 -5.978 1.00 0.00 C ATOM 153 CG TRP A 13 -3.267 -6.586 -5.239 1.00 0.00 C ATOM 154 CD1 TRP A 13 -3.815 -7.720 -5.769 1.00 0.00 C ATOM 155 CD2 TRP A 13 -3.118 -6.828 -3.836 1.00 0.00 C ATOM 156 NE1 TRP A 13 -4.015 -8.652 -4.780 1.00 0.00 N ATOM 157 CE2 TRP A 13 -3.595 -8.130 -3.585 1.00 0.00 C ATOM 158 CE3 TRP A 13 -2.627 -6.073 -2.768 1.00 0.00 C ATOM 159 CZ2 TRP A 13 -3.594 -8.689 -2.310 1.00 0.00 C ATOM 160 CZ3 TRP A 13 -2.628 -6.630 -1.503 1.00 0.00 C ATOM 161 CH2 TRP A 13 -3.108 -7.928 -1.283 1.00 0.00 C ATOM 0 H TRP A 13 -4.504 -5.842 -7.824 1.00 0.00 H new ATOM 0 HA TRP A 13 -4.679 -4.283 -5.401 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -2.389 -5.606 -6.903 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -2.189 -4.765 -5.379 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -4.056 -7.863 -6.812 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -4.412 -9.582 -4.914 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -2.253 -5.072 -2.928 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -3.964 -9.689 -2.138 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -2.252 -6.055 -0.670 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -3.094 -8.335 -0.283 1.00 0.00 H new ATOM 172 N GLU A 14 -4.139 -2.025 -6.245 1.00 0.00 N ATOM 173 CA GLU A 14 -3.764 -0.677 -6.655 1.00 0.00 C ATOM 174 C GLU A 14 -2.653 -0.126 -5.765 1.00 0.00 C ATOM 175 O GLU A 14 -2.704 -0.253 -4.542 1.00 0.00 O ATOM 176 CB GLU A 14 -4.980 0.252 -6.605 1.00 0.00 C ATOM 177 CG GLU A 14 -6.095 -0.155 -7.553 1.00 0.00 C ATOM 178 CD GLU A 14 -5.980 0.512 -8.910 1.00 0.00 C ATOM 179 OE1 GLU A 14 -6.077 1.755 -8.971 1.00 0.00 O ATOM 180 OE2 GLU A 14 -5.792 -0.211 -9.911 1.00 0.00 O ATOM 0 H GLU A 14 -4.817 -2.062 -5.484 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.394 -0.726 -7.679 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.369 0.273 -5.587 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.662 1.266 -6.846 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.080 -1.237 -7.682 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.057 0.100 -7.107 1.00 0.00 H new ATOM 187 N GLN A 15 -1.651 0.484 -6.389 1.00 0.00 N ATOM 188 CA GLN A 15 -0.527 1.052 -5.654 1.00 0.00 C ATOM 189 C GLN A 15 -0.752 2.535 -5.377 1.00 0.00 C ATOM 190 O GLN A 15 -1.221 3.275 -6.242 1.00 0.00 O ATOM 191 CB GLN A 15 0.772 0.860 -6.439 1.00 0.00 C ATOM 192 CG GLN A 15 1.498 -0.433 -6.105 1.00 0.00 C ATOM 193 CD GLN A 15 2.350 -0.937 -7.254 1.00 0.00 C ATOM 194 OE1 GLN A 15 1.903 -0.980 -8.400 1.00 0.00 O ATOM 195 NE2 GLN A 15 3.584 -1.323 -6.951 1.00 0.00 N ATOM 0 H GLN A 15 -1.594 0.598 -7.401 1.00 0.00 H new ATOM 0 HA GLN A 15 -0.448 0.530 -4.700 1.00 0.00 H new ATOM 0 HB2 GLN A 15 0.548 0.876 -7.506 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.435 1.702 -6.240 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.130 -0.275 -5.231 1.00 0.00 H new ATOM 0 HG3 GLN A 15 0.768 -1.197 -5.837 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.913 -1.270 -5.987 1.00 0.00 H new ATOM 0 HE22 GLN A 15 4.203 -1.672 -7.682 1.00 0.00 H new ATOM 204 N TYR A 16 -0.416 2.962 -4.165 1.00 0.00 N ATOM 205 CA TYR A 16 -0.585 4.356 -3.772 1.00 0.00 C ATOM 206 C TYR A 16 0.733 4.946 -3.279 1.00 0.00 C ATOM 207 O TYR A 16 1.238 4.573 -2.219 1.00 0.00 O ATOM 208 CB TYR A 16 -1.649 4.475 -2.680 1.00 0.00 C ATOM 209 CG TYR A 16 -3.018 4.000 -3.114 1.00 0.00 C ATOM 210 CD1 TYR A 16 -3.268 2.651 -3.335 1.00 0.00 C ATOM 211 CD2 TYR A 16 -4.059 4.899 -3.305 1.00 0.00 C ATOM 212 CE1 TYR A 16 -4.516 2.212 -3.732 1.00 0.00 C ATOM 213 CE2 TYR A 16 -5.311 4.469 -3.701 1.00 0.00 C ATOM 214 CZ TYR A 16 -5.534 3.125 -3.914 1.00 0.00 C ATOM 215 OH TYR A 16 -6.779 2.693 -4.309 1.00 0.00 O ATOM 0 H TYR A 16 -0.025 2.363 -3.438 1.00 0.00 H new ATOM 0 HA TYR A 16 -0.909 4.917 -4.648 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -1.332 3.898 -1.811 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -1.718 5.516 -2.364 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.473 1.934 -3.194 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -3.887 5.953 -3.141 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.694 1.160 -3.899 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -6.110 5.181 -3.843 1.00 0.00 H new ATOM 0 HH TYR A 16 -7.381 3.462 -4.390 1.00 0.00 H new ATOM 225 N THR A 17 1.287 5.872 -4.056 1.00 0.00 N ATOM 226 CA THR A 17 2.546 6.515 -3.701 1.00 0.00 C ATOM 227 C THR A 17 2.305 7.869 -3.043 1.00 0.00 C ATOM 228 O THR A 17 1.984 8.849 -3.715 1.00 0.00 O ATOM 229 CB THR A 17 3.445 6.710 -4.936 1.00 0.00 C ATOM 230 OG1 THR A 17 3.560 5.478 -5.658 1.00 0.00 O ATOM 231 CG2 THR A 17 4.828 7.195 -4.528 1.00 0.00 C ATOM 0 H THR A 17 0.883 6.193 -4.936 1.00 0.00 H new ATOM 0 HA THR A 17 3.050 5.855 -2.995 1.00 0.00 H new ATOM 0 HB THR A 17 2.987 7.464 -5.576 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.132 5.611 -6.443 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.445 7.325 -5.417 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.740 8.147 -4.005 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.292 6.460 -3.869 1.00 0.00 H new ATOM 239 N VAL A 18 2.464 7.917 -1.724 1.00 0.00 N ATOM 240 CA VAL A 18 2.266 9.152 -0.974 1.00 0.00 C ATOM 241 C VAL A 18 3.475 9.464 -0.100 1.00 0.00 C ATOM 242 O VAL A 18 4.232 8.568 0.276 1.00 0.00 O ATOM 243 CB VAL A 18 1.010 9.074 -0.086 1.00 0.00 C ATOM 244 CG1 VAL A 18 -0.245 9.297 -0.916 1.00 0.00 C ATOM 245 CG2 VAL A 18 0.951 7.737 0.636 1.00 0.00 C ATOM 0 H VAL A 18 2.729 7.115 -1.153 1.00 0.00 H new ATOM 0 HA VAL A 18 2.135 9.949 -1.706 1.00 0.00 H new ATOM 0 HB VAL A 18 1.066 9.863 0.663 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.122 9.238 -0.272 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.203 10.281 -1.383 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.311 8.531 -1.689 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.057 7.699 1.259 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.918 6.930 -0.096 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.835 7.623 1.263 1.00 0.00 H new ATOM 255 N THR A 19 3.652 10.741 0.223 1.00 0.00 N ATOM 256 CA THR A 19 4.769 11.172 1.054 1.00 0.00 C ATOM 257 C THR A 19 4.289 11.635 2.424 1.00 0.00 C ATOM 258 O THR A 19 3.328 12.398 2.532 1.00 0.00 O ATOM 259 CB THR A 19 5.557 12.315 0.386 1.00 0.00 C ATOM 260 OG1 THR A 19 4.709 13.033 -0.518 1.00 0.00 O ATOM 261 CG2 THR A 19 6.764 11.773 -0.366 1.00 0.00 C ATOM 0 H THR A 19 3.035 11.495 -0.079 1.00 0.00 H new ATOM 0 HA THR A 19 5.424 10.309 1.174 1.00 0.00 H new ATOM 0 HB THR A 19 5.908 12.989 1.167 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.217 13.759 -0.937 1.00 0.00 H new ATOM 0 HG21 THR A 19 7.305 12.598 -0.829 1.00 0.00 H new ATOM 0 HG22 THR A 19 7.422 11.253 0.330 1.00 0.00 H new ATOM 0 HG23 THR A 19 6.430 11.079 -1.138 1.00 0.00 H new ATOM 269 N LEU A 20 4.963 11.170 3.470 1.00 0.00 N ATOM 270 CA LEU A 20 4.606 11.537 4.836 1.00 0.00 C ATOM 271 C LEU A 20 5.664 12.448 5.450 1.00 0.00 C ATOM 272 O LEU A 20 6.843 12.362 5.109 1.00 0.00 O ATOM 273 CB LEU A 20 4.436 10.282 5.695 1.00 0.00 C ATOM 274 CG LEU A 20 3.577 9.169 5.094 1.00 0.00 C ATOM 275 CD1 LEU A 20 4.066 7.807 5.561 1.00 0.00 C ATOM 276 CD2 LEU A 20 2.114 9.368 5.462 1.00 0.00 C ATOM 0 H LEU A 20 5.760 10.538 3.398 1.00 0.00 H new ATOM 0 HA LEU A 20 3.661 12.079 4.805 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.425 9.876 5.909 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.999 10.576 6.649 1.00 0.00 H new ATOM 0 HG LEU A 20 3.667 9.212 4.009 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.443 7.027 5.123 1.00 0.00 H new ATOM 0 HD12 LEU A 20 5.100 7.664 5.247 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.006 7.752 6.648 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.517 8.567 5.026 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.006 9.352 6.547 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.769 10.328 5.077 1.00 0.00 H new ATOM 288 N GLN A 21 5.233 13.319 6.357 1.00 0.00 N ATOM 289 CA GLN A 21 6.145 14.244 7.019 1.00 0.00 C ATOM 290 C GLN A 21 6.448 13.786 8.442 1.00 0.00 C ATOM 291 O GLN A 21 5.540 13.587 9.249 1.00 0.00 O ATOM 292 CB GLN A 21 5.548 15.653 7.041 1.00 0.00 C ATOM 293 CG GLN A 21 5.138 16.161 5.669 1.00 0.00 C ATOM 294 CD GLN A 21 4.386 17.476 5.734 1.00 0.00 C ATOM 295 OE1 GLN A 21 3.375 17.592 6.427 1.00 0.00 O ATOM 296 NE2 GLN A 21 4.877 18.476 5.011 1.00 0.00 N ATOM 0 H GLN A 21 4.260 13.403 6.650 1.00 0.00 H new ATOM 0 HA GLN A 21 7.078 14.260 6.456 1.00 0.00 H new ATOM 0 HB2 GLN A 21 4.677 15.660 7.697 1.00 0.00 H new ATOM 0 HB3 GLN A 21 6.276 16.341 7.471 1.00 0.00 H new ATOM 0 HG2 GLN A 21 6.027 16.286 5.051 1.00 0.00 H new ATOM 0 HG3 GLN A 21 4.513 15.413 5.181 1.00 0.00 H new ATOM 0 HE21 GLN A 21 5.718 18.336 4.451 1.00 0.00 H new ATOM 0 HE22 GLN A 21 4.413 19.385 5.016 1.00 0.00 H new ATOM 305 N LYS A 22 7.731 13.618 8.743 1.00 0.00 N ATOM 306 CA LYS A 22 8.156 13.184 10.069 1.00 0.00 C ATOM 307 C LYS A 22 7.662 14.148 11.142 1.00 0.00 C ATOM 308 O LYS A 22 8.333 15.127 11.467 1.00 0.00 O ATOM 309 CB LYS A 22 9.682 13.076 10.128 1.00 0.00 C ATOM 310 CG LYS A 22 10.177 11.923 10.984 1.00 0.00 C ATOM 311 CD LYS A 22 11.486 11.359 10.456 1.00 0.00 C ATOM 312 CE LYS A 22 11.595 9.865 10.721 1.00 0.00 C ATOM 313 NZ LYS A 22 13.012 9.431 10.869 1.00 0.00 N ATOM 0 H LYS A 22 8.495 13.776 8.086 1.00 0.00 H new ATOM 0 HA LYS A 22 7.721 12.203 10.259 1.00 0.00 H new ATOM 0 HB2 LYS A 22 10.069 12.958 9.116 1.00 0.00 H new ATOM 0 HB3 LYS A 22 10.089 14.009 10.519 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.314 12.263 12.010 1.00 0.00 H new ATOM 0 HG3 LYS A 22 9.423 11.136 11.007 1.00 0.00 H new ATOM 0 HD2 LYS A 22 11.558 11.546 9.385 1.00 0.00 H new ATOM 0 HD3 LYS A 22 12.322 11.875 10.927 1.00 0.00 H new ATOM 0 HE2 LYS A 22 11.042 9.615 11.627 1.00 0.00 H new ATOM 0 HE3 LYS A 22 11.130 9.316 9.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 13.120 8.465 10.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 13.630 10.076 10.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 13.277 9.449 11.874 1.00 0.00 H new ATOM 327 N ASP A 23 6.485 13.864 11.690 1.00 0.00 N ATOM 328 CA ASP A 23 5.902 14.705 12.729 1.00 0.00 C ATOM 329 C ASP A 23 6.799 14.744 13.962 1.00 0.00 C ATOM 330 O ASP A 23 7.804 14.038 14.034 1.00 0.00 O ATOM 331 CB ASP A 23 4.512 14.193 13.109 1.00 0.00 C ATOM 332 CG ASP A 23 3.708 15.220 13.882 1.00 0.00 C ATOM 333 OD1 ASP A 23 3.797 15.228 15.128 1.00 0.00 O ATOM 334 OD2 ASP A 23 2.992 16.017 13.241 1.00 0.00 O ATOM 0 H ASP A 23 5.916 13.058 11.432 1.00 0.00 H new ATOM 0 HA ASP A 23 5.812 15.717 12.335 1.00 0.00 H new ATOM 0 HB2 ASP A 23 3.970 13.917 12.205 1.00 0.00 H new ATOM 0 HB3 ASP A 23 4.613 13.288 13.709 1.00 0.00 H new ATOM 339 N SER A 24 6.428 15.576 14.931 1.00 0.00 N ATOM 340 CA SER A 24 7.201 15.711 16.160 1.00 0.00 C ATOM 341 C SER A 24 7.591 14.342 16.710 1.00 0.00 C ATOM 342 O SER A 24 8.772 13.999 16.774 1.00 0.00 O ATOM 343 CB SER A 24 6.400 16.485 17.208 1.00 0.00 C ATOM 344 OG SER A 24 6.590 17.882 17.067 1.00 0.00 O ATOM 0 H SER A 24 5.597 16.166 14.888 1.00 0.00 H new ATOM 0 HA SER A 24 8.112 16.263 15.929 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.341 16.247 17.109 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.705 16.173 18.207 1.00 0.00 H new ATOM 0 HG SER A 24 6.066 18.354 17.748 1.00 0.00 H new ATOM 350 N LYS A 25 6.590 13.564 17.105 1.00 0.00 N ATOM 351 CA LYS A 25 6.825 12.231 17.649 1.00 0.00 C ATOM 352 C LYS A 25 6.310 11.156 16.697 1.00 0.00 C ATOM 353 O LYS A 25 6.949 10.121 16.511 1.00 0.00 O ATOM 354 CB LYS A 25 6.147 12.087 19.013 1.00 0.00 C ATOM 355 CG LYS A 25 6.971 12.639 20.164 1.00 0.00 C ATOM 356 CD LYS A 25 7.882 11.577 20.756 1.00 0.00 C ATOM 357 CE LYS A 25 8.135 11.821 22.236 1.00 0.00 C ATOM 358 NZ LYS A 25 7.087 11.195 23.088 1.00 0.00 N ATOM 0 H LYS A 25 5.607 13.833 17.059 1.00 0.00 H new ATOM 0 HA LYS A 25 7.900 12.100 17.769 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.185 12.600 18.987 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.941 11.033 19.197 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.570 13.480 19.814 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.306 13.022 20.938 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.432 10.593 20.620 1.00 0.00 H new ATOM 0 HD3 LYS A 25 8.831 11.570 20.220 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.112 11.421 22.508 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.166 12.894 22.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.295 11.384 24.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.158 11.595 22.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.075 10.168 22.925 1.00 0.00 H new ATOM 372 N ARG A 26 5.152 11.410 16.097 1.00 0.00 N ATOM 373 CA ARG A 26 4.551 10.464 15.164 1.00 0.00 C ATOM 374 C ARG A 26 5.098 10.669 13.754 1.00 0.00 C ATOM 375 O ARG A 26 4.339 10.767 12.791 1.00 0.00 O ATOM 376 CB ARG A 26 3.029 10.616 15.159 1.00 0.00 C ATOM 377 CG ARG A 26 2.331 9.792 16.228 1.00 0.00 C ATOM 378 CD ARG A 26 2.608 10.336 17.621 1.00 0.00 C ATOM 379 NE ARG A 26 1.499 10.084 18.538 1.00 0.00 N ATOM 380 CZ ARG A 26 1.620 10.107 19.860 1.00 0.00 C ATOM 381 NH1 ARG A 26 2.793 10.369 20.418 1.00 0.00 N ATOM 382 NH2 ARG A 26 0.564 9.868 20.628 1.00 0.00 N ATOM 0 H ARG A 26 4.611 12.263 16.240 1.00 0.00 H new ATOM 0 HA ARG A 26 4.807 9.457 15.492 1.00 0.00 H new ATOM 0 HB2 ARG A 26 2.777 11.667 15.300 1.00 0.00 H new ATOM 0 HB3 ARG A 26 2.647 10.325 14.181 1.00 0.00 H new ATOM 0 HG2 ARG A 26 1.257 9.791 16.044 1.00 0.00 H new ATOM 0 HG3 ARG A 26 2.666 8.757 16.167 1.00 0.00 H new ATOM 0 HD2 ARG A 26 3.515 9.878 18.015 1.00 0.00 H new ATOM 0 HD3 ARG A 26 2.792 11.409 17.561 1.00 0.00 H new ATOM 0 HE ARG A 26 0.582 9.879 18.141 1.00 0.00 H new ATOM 0 HH11 ARG A 26 3.607 10.554 19.832 1.00 0.00 H new ATOM 0 HH12 ARG A 26 2.882 10.386 21.434 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -0.341 9.667 20.203 1.00 0.00 H new ATOM 0 HH22 ARG A 26 0.657 9.886 21.644 1.00 0.00 H new ATOM 396 N GLY A 27 6.421 10.733 13.642 1.00 0.00 N ATOM 397 CA GLY A 27 7.047 10.927 12.347 1.00 0.00 C ATOM 398 C GLY A 27 6.097 10.655 11.197 1.00 0.00 C ATOM 399 O GLY A 27 5.641 11.581 10.527 1.00 0.00 O ATOM 0 H GLY A 27 7.070 10.654 14.425 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.416 11.950 12.275 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.912 10.269 12.263 1.00 0.00 H new ATOM 403 N PHE A 28 5.799 9.380 10.967 1.00 0.00 N ATOM 404 CA PHE A 28 4.899 8.989 9.888 1.00 0.00 C ATOM 405 C PHE A 28 3.608 8.398 10.445 1.00 0.00 C ATOM 406 O PHE A 28 2.803 7.830 9.708 1.00 0.00 O ATOM 407 CB PHE A 28 5.583 7.974 8.969 1.00 0.00 C ATOM 408 CG PHE A 28 6.918 8.433 8.457 1.00 0.00 C ATOM 409 CD1 PHE A 28 7.141 9.769 8.166 1.00 0.00 C ATOM 410 CD2 PHE A 28 7.951 7.529 8.268 1.00 0.00 C ATOM 411 CE1 PHE A 28 8.369 10.194 7.694 1.00 0.00 C ATOM 412 CE2 PHE A 28 9.181 7.948 7.798 1.00 0.00 C ATOM 413 CZ PHE A 28 9.391 9.282 7.511 1.00 0.00 C ATOM 0 H PHE A 28 6.167 8.601 11.513 1.00 0.00 H new ATOM 0 HA PHE A 28 4.651 9.881 9.313 1.00 0.00 H new ATOM 0 HB2 PHE A 28 5.713 7.036 9.510 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.930 7.765 8.122 1.00 0.00 H new ATOM 0 HD1 PHE A 28 6.347 10.487 8.309 1.00 0.00 H new ATOM 0 HD2 PHE A 28 7.793 6.484 8.491 1.00 0.00 H new ATOM 0 HE1 PHE A 28 8.529 11.238 7.468 1.00 0.00 H new ATOM 0 HE2 PHE A 28 9.977 7.233 7.655 1.00 0.00 H new ATOM 0 HZ PHE A 28 10.352 9.612 7.144 1.00 0.00 H new ATOM 423 N GLY A 29 3.416 8.536 11.754 1.00 0.00 N ATOM 424 CA GLY A 29 2.222 8.011 12.389 1.00 0.00 C ATOM 425 C GLY A 29 1.759 6.709 11.765 1.00 0.00 C ATOM 426 O GLY A 29 0.622 6.605 11.304 1.00 0.00 O ATOM 0 H GLY A 29 4.067 9.002 12.386 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.418 7.853 13.450 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.423 8.749 12.319 1.00 0.00 H new ATOM 430 N ILE A 30 2.641 5.716 11.750 1.00 0.00 N ATOM 431 CA ILE A 30 2.316 4.415 11.178 1.00 0.00 C ATOM 432 C ILE A 30 3.003 3.290 11.944 1.00 0.00 C ATOM 433 O ILE A 30 4.134 3.440 12.404 1.00 0.00 O ATOM 434 CB ILE A 30 2.724 4.335 9.695 1.00 0.00 C ATOM 435 CG1 ILE A 30 4.094 4.982 9.485 1.00 0.00 C ATOM 436 CG2 ILE A 30 1.676 5.005 8.819 1.00 0.00 C ATOM 437 CD1 ILE A 30 4.892 4.357 8.361 1.00 0.00 C ATOM 0 H ILE A 30 3.586 5.787 12.127 1.00 0.00 H new ATOM 0 HA ILE A 30 1.235 4.297 11.256 1.00 0.00 H new ATOM 0 HB ILE A 30 2.791 3.285 9.409 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.958 6.043 9.276 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.666 4.910 10.410 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.979 4.940 7.774 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.717 4.503 8.950 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.579 6.053 9.104 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.852 4.866 8.269 1.00 0.00 H new ATOM 0 HD12 ILE A 30 5.060 3.302 8.577 1.00 0.00 H new ATOM 0 HD13 ILE A 30 4.340 4.453 7.426 1.00 0.00 H new ATOM 449 N ALA A 31 2.311 2.163 12.077 1.00 0.00 N ATOM 450 CA ALA A 31 2.856 1.011 12.784 1.00 0.00 C ATOM 451 C ALA A 31 2.808 -0.240 11.914 1.00 0.00 C ATOM 452 O ALA A 31 1.749 -0.624 11.417 1.00 0.00 O ATOM 453 CB ALA A 31 2.096 0.782 14.083 1.00 0.00 C ATOM 0 H ALA A 31 1.372 2.024 11.704 1.00 0.00 H new ATOM 0 HA ALA A 31 3.900 1.219 13.018 1.00 0.00 H new ATOM 0 HB1 ALA A 31 2.513 -0.081 14.601 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.185 1.664 14.717 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.044 0.599 13.862 1.00 0.00 H new ATOM 459 N VAL A 32 3.963 -0.872 11.731 1.00 0.00 N ATOM 460 CA VAL A 32 4.054 -2.081 10.921 1.00 0.00 C ATOM 461 C VAL A 32 3.986 -3.332 11.790 1.00 0.00 C ATOM 462 O VAL A 32 4.373 -3.310 12.958 1.00 0.00 O ATOM 463 CB VAL A 32 5.356 -2.109 10.099 1.00 0.00 C ATOM 464 CG1 VAL A 32 5.353 -1.004 9.054 1.00 0.00 C ATOM 465 CG2 VAL A 32 6.565 -1.986 11.014 1.00 0.00 C ATOM 0 H VAL A 32 4.849 -0.566 12.133 1.00 0.00 H new ATOM 0 HA VAL A 32 3.203 -2.070 10.239 1.00 0.00 H new ATOM 0 HB VAL A 32 5.417 -3.065 9.580 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.281 -1.040 8.484 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.507 -1.143 8.380 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.268 -0.036 9.548 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.477 -2.008 10.417 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.512 -1.045 11.562 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.573 -2.817 11.719 1.00 0.00 H new ATOM 475 N SER A 33 3.493 -4.422 11.211 1.00 0.00 N ATOM 476 CA SER A 33 3.371 -5.682 11.933 1.00 0.00 C ATOM 477 C SER A 33 3.573 -6.868 10.995 1.00 0.00 C ATOM 478 O SER A 33 3.122 -6.852 9.850 1.00 0.00 O ATOM 479 CB SER A 33 2.001 -5.778 12.607 1.00 0.00 C ATOM 480 OG SER A 33 2.029 -5.205 13.903 1.00 0.00 O ATOM 0 H SER A 33 3.172 -4.457 10.244 1.00 0.00 H new ATOM 0 HA SER A 33 4.147 -5.710 12.698 1.00 0.00 H new ATOM 0 HB2 SER A 33 1.255 -5.268 11.997 1.00 0.00 H new ATOM 0 HB3 SER A 33 1.698 -6.823 12.674 1.00 0.00 H new ATOM 0 HG SER A 33 2.712 -4.503 13.935 1.00 0.00 H new ATOM 486 N GLY A 34 4.255 -7.897 11.489 1.00 0.00 N ATOM 487 CA GLY A 34 4.505 -9.077 10.682 1.00 0.00 C ATOM 488 C GLY A 34 5.982 -9.301 10.425 1.00 0.00 C ATOM 489 O GLY A 34 6.827 -8.891 11.220 1.00 0.00 O ATOM 0 H GLY A 34 4.639 -7.934 12.433 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.090 -9.951 11.184 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.984 -8.979 9.729 1.00 0.00 H new ATOM 493 N GLY A 35 6.295 -9.955 9.311 1.00 0.00 N ATOM 494 CA GLY A 35 7.681 -10.223 8.972 1.00 0.00 C ATOM 495 C GLY A 35 7.853 -11.534 8.231 1.00 0.00 C ATOM 496 O GLY A 35 7.054 -12.457 8.394 1.00 0.00 O ATOM 0 H GLY A 35 5.614 -10.304 8.637 1.00 0.00 H new ATOM 0 HA2 GLY A 35 8.066 -9.409 8.358 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.278 -10.244 9.884 1.00 0.00 H new ATOM 500 N ARG A 36 8.898 -11.617 7.414 1.00 0.00 N ATOM 501 CA ARG A 36 9.171 -12.824 6.643 1.00 0.00 C ATOM 502 C ARG A 36 9.503 -13.994 7.564 1.00 0.00 C ATOM 503 O ARG A 36 9.401 -15.156 7.169 1.00 0.00 O ATOM 504 CB ARG A 36 10.327 -12.583 5.670 1.00 0.00 C ATOM 505 CG ARG A 36 11.681 -12.469 6.350 1.00 0.00 C ATOM 506 CD ARG A 36 12.374 -13.819 6.442 1.00 0.00 C ATOM 507 NE ARG A 36 13.699 -13.715 7.048 1.00 0.00 N ATOM 508 CZ ARG A 36 14.670 -14.599 6.849 1.00 0.00 C ATOM 509 NH1 ARG A 36 14.466 -15.647 6.063 1.00 0.00 N ATOM 510 NH2 ARG A 36 15.848 -14.435 7.436 1.00 0.00 N ATOM 0 H ARG A 36 9.569 -10.863 7.269 1.00 0.00 H new ATOM 0 HA ARG A 36 8.274 -13.073 6.076 1.00 0.00 H new ATOM 0 HB2 ARG A 36 10.360 -13.399 4.949 1.00 0.00 H new ATOM 0 HB3 ARG A 36 10.134 -11.669 5.109 1.00 0.00 H new ATOM 0 HG2 ARG A 36 12.310 -11.773 5.795 1.00 0.00 H new ATOM 0 HG3 ARG A 36 11.553 -12.056 7.350 1.00 0.00 H new ATOM 0 HD2 ARG A 36 11.760 -14.502 7.029 1.00 0.00 H new ATOM 0 HD3 ARG A 36 12.465 -14.249 5.444 1.00 0.00 H new ATOM 0 HE ARG A 36 13.889 -12.920 7.658 1.00 0.00 H new ATOM 0 HH11 ARG A 36 13.562 -15.776 5.609 1.00 0.00 H new ATOM 0 HH12 ARG A 36 15.214 -16.324 5.912 1.00 0.00 H new ATOM 0 HH21 ARG A 36 16.009 -13.630 8.041 1.00 0.00 H new ATOM 0 HH22 ARG A 36 16.593 -15.114 7.283 1.00 0.00 H new ATOM 524 N ASP A 37 9.901 -13.679 8.791 1.00 0.00 N ATOM 525 CA ASP A 37 10.247 -14.704 9.769 1.00 0.00 C ATOM 526 C ASP A 37 9.210 -14.762 10.887 1.00 0.00 C ATOM 527 O ASP A 37 9.086 -15.771 11.580 1.00 0.00 O ATOM 528 CB ASP A 37 11.633 -14.432 10.356 1.00 0.00 C ATOM 529 CG ASP A 37 12.296 -15.689 10.883 1.00 0.00 C ATOM 530 OD1 ASP A 37 12.485 -16.636 10.092 1.00 0.00 O ATOM 531 OD2 ASP A 37 12.625 -15.726 12.088 1.00 0.00 O ATOM 0 H ASP A 37 9.992 -12.722 9.133 1.00 0.00 H new ATOM 0 HA ASP A 37 10.259 -15.667 9.259 1.00 0.00 H new ATOM 0 HB2 ASP A 37 12.267 -13.984 9.591 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.546 -13.705 11.163 1.00 0.00 H new ATOM 536 N ASN A 38 8.468 -13.673 11.055 1.00 0.00 N ATOM 537 CA ASN A 38 7.443 -13.599 12.090 1.00 0.00 C ATOM 538 C ASN A 38 6.142 -13.033 11.527 1.00 0.00 C ATOM 539 O ASN A 38 5.619 -12.024 12.001 1.00 0.00 O ATOM 540 CB ASN A 38 7.926 -12.734 13.255 1.00 0.00 C ATOM 541 CG ASN A 38 6.961 -12.748 14.425 1.00 0.00 C ATOM 542 OD1 ASN A 38 6.101 -11.876 14.546 1.00 0.00 O ATOM 543 ND2 ASN A 38 7.100 -13.743 15.294 1.00 0.00 N ATOM 0 H ASN A 38 8.557 -12.830 10.488 1.00 0.00 H new ATOM 0 HA ASN A 38 7.253 -14.610 12.451 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.901 -13.089 13.588 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.061 -11.709 12.911 1.00 0.00 H new ATOM 0 HD21 ASN A 38 6.479 -13.806 16.101 1.00 0.00 H new ATOM 0 HD22 ASN A 38 7.827 -14.444 15.154 1.00 0.00 H new ATOM 550 N PRO A 39 5.607 -13.698 10.492 1.00 0.00 N ATOM 551 CA PRO A 39 4.360 -13.281 9.843 1.00 0.00 C ATOM 552 C PRO A 39 3.142 -13.493 10.736 1.00 0.00 C ATOM 553 O PRO A 39 2.511 -14.549 10.702 1.00 0.00 O ATOM 554 CB PRO A 39 4.283 -14.184 8.610 1.00 0.00 C ATOM 555 CG PRO A 39 5.074 -15.392 8.975 1.00 0.00 C ATOM 556 CD PRO A 39 6.176 -14.908 9.877 1.00 0.00 C ATOM 0 HA PRO A 39 4.358 -12.216 9.609 1.00 0.00 H new ATOM 0 HB2 PRO A 39 3.251 -14.443 8.373 1.00 0.00 H new ATOM 0 HB3 PRO A 39 4.697 -13.690 7.731 1.00 0.00 H new ATOM 0 HG2 PRO A 39 4.450 -16.129 9.481 1.00 0.00 H new ATOM 0 HG3 PRO A 39 5.481 -15.875 8.087 1.00 0.00 H new ATOM 0 HD2 PRO A 39 6.438 -15.654 10.627 1.00 0.00 H new ATOM 0 HD3 PRO A 39 7.084 -14.685 9.317 1.00 0.00 H new ATOM 564 N HIS A 40 2.817 -12.481 11.535 1.00 0.00 N ATOM 565 CA HIS A 40 1.673 -12.557 12.437 1.00 0.00 C ATOM 566 C HIS A 40 0.381 -12.786 11.658 1.00 0.00 C ATOM 567 O HIS A 40 -0.479 -13.561 12.077 1.00 0.00 O ATOM 568 CB HIS A 40 1.563 -11.276 13.265 1.00 0.00 C ATOM 569 CG HIS A 40 0.347 -11.229 14.137 1.00 0.00 C ATOM 570 ND1 HIS A 40 -0.931 -11.420 13.657 1.00 0.00 N ATOM 571 CD2 HIS A 40 0.219 -11.012 15.467 1.00 0.00 C ATOM 572 CE1 HIS A 40 -1.793 -11.321 14.654 1.00 0.00 C ATOM 573 NE2 HIS A 40 -1.120 -11.075 15.763 1.00 0.00 N ATOM 0 H HIS A 40 3.329 -11.600 11.576 1.00 0.00 H new ATOM 0 HA HIS A 40 1.827 -13.402 13.108 1.00 0.00 H new ATOM 0 HB2 HIS A 40 2.451 -11.179 13.889 1.00 0.00 H new ATOM 0 HB3 HIS A 40 1.551 -10.418 12.592 1.00 0.00 H new ATOM 0 HD2 HIS A 40 1.021 -10.824 16.165 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -2.865 -11.424 14.575 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -1.529 -10.952 16.689 1.00 0.00 H new ATOM 582 N PHE A 41 0.251 -12.105 10.524 1.00 0.00 N ATOM 583 CA PHE A 41 -0.936 -12.233 9.688 1.00 0.00 C ATOM 584 C PHE A 41 -1.531 -13.634 9.799 1.00 0.00 C ATOM 585 O PHE A 41 -1.003 -14.590 9.233 1.00 0.00 O ATOM 586 CB PHE A 41 -0.594 -11.926 8.229 1.00 0.00 C ATOM 587 CG PHE A 41 -1.728 -11.306 7.464 1.00 0.00 C ATOM 588 CD1 PHE A 41 -2.837 -12.058 7.113 1.00 0.00 C ATOM 589 CD2 PHE A 41 -1.684 -9.971 7.096 1.00 0.00 C ATOM 590 CE1 PHE A 41 -3.883 -11.489 6.410 1.00 0.00 C ATOM 591 CE2 PHE A 41 -2.727 -9.397 6.394 1.00 0.00 C ATOM 592 CZ PHE A 41 -3.827 -10.158 6.049 1.00 0.00 C ATOM 0 H PHE A 41 0.953 -11.459 10.163 1.00 0.00 H new ATOM 0 HA PHE A 41 -1.676 -11.514 10.039 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.264 -11.254 8.199 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -0.294 -12.849 7.733 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -2.885 -13.100 7.391 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.825 -9.372 7.361 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -4.743 -12.086 6.144 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.682 -8.355 6.115 1.00 0.00 H new ATOM 0 HZ PHE A 41 -4.642 -9.712 5.498 1.00 0.00 H new ATOM 602 N GLU A 42 -2.635 -13.745 10.532 1.00 0.00 N ATOM 603 CA GLU A 42 -3.301 -15.029 10.718 1.00 0.00 C ATOM 604 C GLU A 42 -3.082 -15.936 9.511 1.00 0.00 C ATOM 605 O GLU A 42 -2.631 -17.072 9.648 1.00 0.00 O ATOM 606 CB GLU A 42 -4.799 -14.823 10.949 1.00 0.00 C ATOM 607 CG GLU A 42 -5.414 -15.835 11.901 1.00 0.00 C ATOM 608 CD GLU A 42 -6.894 -16.047 11.651 1.00 0.00 C ATOM 609 OE1 GLU A 42 -7.283 -16.197 10.474 1.00 0.00 O ATOM 610 OE2 GLU A 42 -7.665 -16.062 12.634 1.00 0.00 O ATOM 0 H GLU A 42 -3.086 -12.963 11.006 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.868 -15.510 11.595 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.962 -13.820 11.343 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.316 -14.877 9.991 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.892 -16.787 11.800 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.267 -15.498 12.927 1.00 0.00 H new ATOM 617 N ASN A 43 -3.405 -15.424 8.327 1.00 0.00 N ATOM 618 CA ASN A 43 -3.245 -16.188 7.095 1.00 0.00 C ATOM 619 C ASN A 43 -1.820 -16.717 6.964 1.00 0.00 C ATOM 620 O ASN A 43 -1.599 -17.926 6.906 1.00 0.00 O ATOM 621 CB ASN A 43 -3.592 -15.319 5.884 1.00 0.00 C ATOM 622 CG ASN A 43 -3.673 -16.123 4.601 1.00 0.00 C ATOM 623 OD1 ASN A 43 -4.047 -17.296 4.612 1.00 0.00 O ATOM 624 ND2 ASN A 43 -3.322 -15.493 3.485 1.00 0.00 N ATOM 0 H ASN A 43 -3.779 -14.484 8.195 1.00 0.00 H new ATOM 0 HA ASN A 43 -3.927 -17.038 7.132 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -4.546 -14.821 6.059 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.840 -14.538 5.773 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -3.356 -15.982 2.591 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -3.018 -14.520 3.523 1.00 0.00 H new ATOM 631 N GLY A 44 -0.857 -15.802 6.919 1.00 0.00 N ATOM 632 CA GLY A 44 0.535 -16.195 6.795 1.00 0.00 C ATOM 633 C GLY A 44 1.287 -15.356 5.781 1.00 0.00 C ATOM 634 O GLY A 44 2.231 -15.831 5.152 1.00 0.00 O ATOM 0 H GLY A 44 -1.015 -14.795 6.966 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.022 -16.108 7.766 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.588 -17.244 6.505 1.00 0.00 H new ATOM 638 N GLU A 45 0.866 -14.105 5.622 1.00 0.00 N ATOM 639 CA GLU A 45 1.505 -13.199 4.675 1.00 0.00 C ATOM 640 C GLU A 45 2.882 -12.772 5.176 1.00 0.00 C ATOM 641 O GLU A 45 3.037 -12.361 6.327 1.00 0.00 O ATOM 642 CB GLU A 45 0.629 -11.966 4.443 1.00 0.00 C ATOM 643 CG GLU A 45 1.419 -10.716 4.093 1.00 0.00 C ATOM 644 CD GLU A 45 1.750 -9.875 5.310 1.00 0.00 C ATOM 645 OE1 GLU A 45 1.663 -10.405 6.438 1.00 0.00 O ATOM 646 OE2 GLU A 45 2.094 -8.688 5.136 1.00 0.00 O ATOM 0 H GLU A 45 0.086 -13.696 6.136 1.00 0.00 H new ATOM 0 HA GLU A 45 1.629 -13.729 3.731 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.076 -12.177 3.639 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.041 -11.775 5.340 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.344 -11.003 3.592 1.00 0.00 H new ATOM 0 HG3 GLU A 45 0.847 -10.115 3.386 1.00 0.00 H new ATOM 653 N THR A 46 3.880 -12.871 4.304 1.00 0.00 N ATOM 654 CA THR A 46 5.244 -12.497 4.657 1.00 0.00 C ATOM 655 C THR A 46 5.590 -11.112 4.123 1.00 0.00 C ATOM 656 O THR A 46 6.632 -10.920 3.496 1.00 0.00 O ATOM 657 CB THR A 46 6.264 -13.515 4.113 1.00 0.00 C ATOM 658 OG1 THR A 46 6.007 -13.774 2.728 1.00 0.00 O ATOM 659 CG2 THR A 46 6.203 -14.816 4.898 1.00 0.00 C ATOM 0 H THR A 46 3.769 -13.207 3.347 1.00 0.00 H new ATOM 0 HA THR A 46 5.298 -12.487 5.746 1.00 0.00 H new ATOM 0 HB THR A 46 7.262 -13.090 4.223 1.00 0.00 H new ATOM 0 HG1 THR A 46 6.661 -14.421 2.389 1.00 0.00 H new ATOM 0 HG21 THR A 46 6.932 -15.519 4.495 1.00 0.00 H new ATOM 0 HG22 THR A 46 6.429 -14.620 5.946 1.00 0.00 H new ATOM 0 HG23 THR A 46 5.204 -15.244 4.816 1.00 0.00 H new ATOM 667 N SER A 47 4.709 -10.149 4.374 1.00 0.00 N ATOM 668 CA SER A 47 4.920 -8.781 3.916 1.00 0.00 C ATOM 669 C SER A 47 4.711 -7.787 5.054 1.00 0.00 C ATOM 670 O SER A 47 4.210 -8.146 6.121 1.00 0.00 O ATOM 671 CB SER A 47 3.973 -8.456 2.759 1.00 0.00 C ATOM 672 OG SER A 47 4.490 -8.929 1.528 1.00 0.00 O ATOM 0 H SER A 47 3.842 -10.291 4.892 1.00 0.00 H new ATOM 0 HA SER A 47 5.950 -8.696 3.568 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.998 -8.907 2.945 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.820 -7.378 2.702 1.00 0.00 H new ATOM 0 HG SER A 47 3.865 -8.710 0.805 1.00 0.00 H new ATOM 678 N ILE A 48 5.098 -6.538 4.820 1.00 0.00 N ATOM 679 CA ILE A 48 4.951 -5.492 5.824 1.00 0.00 C ATOM 680 C ILE A 48 3.719 -4.636 5.551 1.00 0.00 C ATOM 681 O ILE A 48 3.678 -3.880 4.581 1.00 0.00 O ATOM 682 CB ILE A 48 6.193 -4.583 5.875 1.00 0.00 C ATOM 683 CG1 ILE A 48 7.459 -5.422 6.062 1.00 0.00 C ATOM 684 CG2 ILE A 48 6.058 -3.563 6.996 1.00 0.00 C ATOM 685 CD1 ILE A 48 7.375 -6.395 7.217 1.00 0.00 C ATOM 0 H ILE A 48 5.516 -6.226 3.944 1.00 0.00 H new ATOM 0 HA ILE A 48 4.836 -5.992 6.786 1.00 0.00 H new ATOM 0 HB ILE A 48 6.271 -4.047 4.929 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.656 -5.976 5.144 1.00 0.00 H new ATOM 0 HG13 ILE A 48 8.307 -4.755 6.220 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.944 -2.928 7.019 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.175 -2.948 6.824 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.958 -4.081 7.950 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.307 -6.955 7.289 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.209 -5.846 8.144 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.548 -7.086 7.051 1.00 0.00 H new ATOM 697 N VAL A 49 2.717 -4.759 6.416 1.00 0.00 N ATOM 698 CA VAL A 49 1.484 -3.994 6.270 1.00 0.00 C ATOM 699 C VAL A 49 1.311 -3.007 7.419 1.00 0.00 C ATOM 700 O VAL A 49 1.771 -3.251 8.535 1.00 0.00 O ATOM 701 CB VAL A 49 0.253 -4.919 6.213 1.00 0.00 C ATOM 702 CG1 VAL A 49 -0.068 -5.292 4.774 1.00 0.00 C ATOM 703 CG2 VAL A 49 0.483 -6.164 7.056 1.00 0.00 C ATOM 0 H VAL A 49 2.735 -5.381 7.225 1.00 0.00 H new ATOM 0 HA VAL A 49 1.561 -3.445 5.331 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.602 -4.383 6.624 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.940 -5.946 4.753 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.278 -4.388 4.202 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.784 -5.810 4.334 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.396 -6.806 7.004 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.350 -6.705 6.677 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.660 -5.874 8.092 1.00 0.00 H new ATOM 713 N ILE A 50 0.645 -1.892 7.138 1.00 0.00 N ATOM 714 CA ILE A 50 0.410 -0.868 8.148 1.00 0.00 C ATOM 715 C ILE A 50 -0.819 -1.198 8.989 1.00 0.00 C ATOM 716 O ILE A 50 -1.953 -1.025 8.543 1.00 0.00 O ATOM 717 CB ILE A 50 0.223 0.521 7.509 1.00 0.00 C ATOM 718 CG1 ILE A 50 1.467 0.908 6.706 1.00 0.00 C ATOM 719 CG2 ILE A 50 -0.067 1.561 8.580 1.00 0.00 C ATOM 720 CD1 ILE A 50 2.634 1.336 7.568 1.00 0.00 C ATOM 0 H ILE A 50 0.259 -1.675 6.219 1.00 0.00 H new ATOM 0 HA ILE A 50 1.292 -0.848 8.789 1.00 0.00 H new ATOM 0 HB ILE A 50 -0.628 0.481 6.829 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.771 0.060 6.092 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.212 1.720 6.025 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.197 2.537 8.113 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -0.978 1.290 9.113 1.00 0.00 H new ATOM 0 HG23 ILE A 50 0.766 1.602 9.282 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.480 1.596 6.932 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.348 2.203 8.163 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.916 0.518 8.231 1.00 0.00 H new ATOM 732 N SER A 51 -0.585 -1.671 10.209 1.00 0.00 N ATOM 733 CA SER A 51 -1.673 -2.027 11.113 1.00 0.00 C ATOM 734 C SER A 51 -2.015 -0.862 12.036 1.00 0.00 C ATOM 735 O SER A 51 -2.654 -1.043 13.072 1.00 0.00 O ATOM 736 CB SER A 51 -1.294 -3.255 11.942 1.00 0.00 C ATOM 737 OG SER A 51 -2.408 -3.742 12.670 1.00 0.00 O ATOM 0 H SER A 51 0.348 -1.817 10.594 1.00 0.00 H new ATOM 0 HA SER A 51 -2.551 -2.261 10.511 1.00 0.00 H new ATOM 0 HB2 SER A 51 -0.914 -4.038 11.285 1.00 0.00 H new ATOM 0 HB3 SER A 51 -0.489 -2.998 12.631 1.00 0.00 H new ATOM 0 HG SER A 51 -2.900 -2.988 13.057 1.00 0.00 H new ATOM 743 N ASP A 52 -1.584 0.335 11.652 1.00 0.00 N ATOM 744 CA ASP A 52 -1.845 1.532 12.444 1.00 0.00 C ATOM 745 C ASP A 52 -1.610 2.792 11.617 1.00 0.00 C ATOM 746 O ASP A 52 -0.526 2.995 11.070 1.00 0.00 O ATOM 747 CB ASP A 52 -0.956 1.550 13.688 1.00 0.00 C ATOM 748 CG ASP A 52 -1.430 2.550 14.724 1.00 0.00 C ATOM 749 OD1 ASP A 52 -2.653 2.616 14.968 1.00 0.00 O ATOM 750 OD2 ASP A 52 -0.578 3.267 15.290 1.00 0.00 O ATOM 0 H ASP A 52 -1.053 0.502 10.798 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.890 1.512 12.754 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -0.936 0.554 14.131 1.00 0.00 H new ATOM 0 HB3 ASP A 52 0.067 1.790 13.397 1.00 0.00 H new ATOM 755 N VAL A 53 -2.633 3.636 11.530 1.00 0.00 N ATOM 756 CA VAL A 53 -2.539 4.876 10.770 1.00 0.00 C ATOM 757 C VAL A 53 -3.128 6.046 11.551 1.00 0.00 C ATOM 758 O VAL A 53 -4.332 6.299 11.496 1.00 0.00 O ATOM 759 CB VAL A 53 -3.262 4.762 9.415 1.00 0.00 C ATOM 760 CG1 VAL A 53 -3.335 6.119 8.732 1.00 0.00 C ATOM 761 CG2 VAL A 53 -2.567 3.743 8.525 1.00 0.00 C ATOM 0 H VAL A 53 -3.537 3.483 11.977 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.479 5.058 10.593 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.281 4.418 9.594 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.849 6.018 7.776 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.882 6.817 9.366 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.326 6.496 8.563 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.091 3.675 7.572 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.537 4.054 8.351 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.574 2.768 9.013 1.00 0.00 H new ATOM 771 N LEU A 54 -2.272 6.756 12.278 1.00 0.00 N ATOM 772 CA LEU A 54 -2.707 7.900 13.071 1.00 0.00 C ATOM 773 C LEU A 54 -3.881 8.610 12.404 1.00 0.00 C ATOM 774 O LEU A 54 -3.761 9.175 11.317 1.00 0.00 O ATOM 775 CB LEU A 54 -1.549 8.880 13.267 1.00 0.00 C ATOM 776 CG LEU A 54 -1.588 9.718 14.545 1.00 0.00 C ATOM 777 CD1 LEU A 54 -1.216 8.870 15.751 1.00 0.00 C ATOM 778 CD2 LEU A 54 -0.657 10.916 14.425 1.00 0.00 C ATOM 0 H LEU A 54 -1.273 6.559 12.335 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.033 7.533 14.044 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.616 8.316 13.254 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.524 9.557 12.413 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.605 10.085 14.685 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.249 9.483 16.651 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.922 8.045 15.848 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.210 8.472 15.620 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.697 11.502 15.344 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.363 10.569 14.260 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.969 11.537 13.585 1.00 0.00 H new ATOM 790 N PRO A 55 -5.045 8.582 13.070 1.00 0.00 N ATOM 791 CA PRO A 55 -6.263 9.220 12.563 1.00 0.00 C ATOM 792 C PRO A 55 -6.173 10.742 12.586 1.00 0.00 C ATOM 793 O PRO A 55 -7.021 11.433 12.023 1.00 0.00 O ATOM 794 CB PRO A 55 -7.347 8.734 13.527 1.00 0.00 C ATOM 795 CG PRO A 55 -6.619 8.420 14.788 1.00 0.00 C ATOM 796 CD PRO A 55 -5.261 7.926 14.371 1.00 0.00 C ATOM 0 HA PRO A 55 -6.454 8.962 11.521 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.106 9.500 13.688 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -7.859 7.855 13.136 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -6.535 9.304 15.421 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.149 7.663 15.366 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -4.493 8.203 15.093 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -5.238 6.840 14.282 1.00 0.00 H new ATOM 804 N GLY A 56 -5.139 11.260 13.242 1.00 0.00 N ATOM 805 CA GLY A 56 -4.957 12.697 13.327 1.00 0.00 C ATOM 806 C GLY A 56 -3.521 13.115 13.079 1.00 0.00 C ATOM 807 O GLY A 56 -3.031 14.066 13.687 1.00 0.00 O ATOM 0 H GLY A 56 -4.424 10.709 13.716 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -5.605 13.186 12.600 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -5.267 13.042 14.313 1.00 0.00 H new ATOM 811 N GLY A 57 -2.844 12.402 12.184 1.00 0.00 N ATOM 812 CA GLY A 57 -1.462 12.719 11.875 1.00 0.00 C ATOM 813 C GLY A 57 -1.219 12.859 10.385 1.00 0.00 C ATOM 814 O GLY A 57 -2.139 13.102 9.604 1.00 0.00 O ATOM 0 H GLY A 57 -3.228 11.611 11.668 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.185 13.648 12.374 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.815 11.938 12.274 1.00 0.00 H new ATOM 818 N PRO A 58 0.048 12.705 9.972 1.00 0.00 N ATOM 819 CA PRO A 58 0.439 12.812 8.563 1.00 0.00 C ATOM 820 C PRO A 58 -0.079 11.647 7.727 1.00 0.00 C ATOM 821 O PRO A 58 -0.444 11.819 6.565 1.00 0.00 O ATOM 822 CB PRO A 58 1.969 12.792 8.618 1.00 0.00 C ATOM 823 CG PRO A 58 2.294 12.070 9.880 1.00 0.00 C ATOM 824 CD PRO A 58 1.195 12.413 10.848 1.00 0.00 C ATOM 0 HA PRO A 58 0.027 13.704 8.092 1.00 0.00 H new ATOM 0 HB2 PRO A 58 2.390 12.282 7.751 1.00 0.00 H new ATOM 0 HB3 PRO A 58 2.378 13.802 8.623 1.00 0.00 H new ATOM 0 HG2 PRO A 58 2.345 10.994 9.712 1.00 0.00 H new ATOM 0 HG3 PRO A 58 3.265 12.378 10.267 1.00 0.00 H new ATOM 0 HD2 PRO A 58 0.983 11.586 11.525 1.00 0.00 H new ATOM 0 HD3 PRO A 58 1.457 13.272 11.466 1.00 0.00 H new ATOM 832 N ALA A 59 -0.108 10.461 8.327 1.00 0.00 N ATOM 833 CA ALA A 59 -0.585 9.268 7.638 1.00 0.00 C ATOM 834 C ALA A 59 -2.081 9.356 7.359 1.00 0.00 C ATOM 835 O ALA A 59 -2.554 8.914 6.311 1.00 0.00 O ATOM 836 CB ALA A 59 -0.270 8.025 8.457 1.00 0.00 C ATOM 0 H ALA A 59 0.193 10.301 9.288 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.068 9.200 6.681 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.632 7.141 7.931 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.808 7.947 8.600 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.760 8.095 9.428 1.00 0.00 H new ATOM 842 N ASP A 60 -2.822 9.927 8.302 1.00 0.00 N ATOM 843 CA ASP A 60 -4.265 10.073 8.157 1.00 0.00 C ATOM 844 C ASP A 60 -4.617 10.676 6.801 1.00 0.00 C ATOM 845 O ASP A 60 -4.699 11.895 6.655 1.00 0.00 O ATOM 846 CB ASP A 60 -4.826 10.947 9.280 1.00 0.00 C ATOM 847 CG ASP A 60 -6.013 11.777 8.829 1.00 0.00 C ATOM 848 OD1 ASP A 60 -7.087 11.190 8.582 1.00 0.00 O ATOM 849 OD2 ASP A 60 -5.867 13.013 8.723 1.00 0.00 O ATOM 0 H ASP A 60 -2.447 10.296 9.175 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.714 9.082 8.220 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -5.125 10.313 10.115 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.042 11.609 9.648 1.00 0.00 H new ATOM 854 N GLY A 61 -4.824 9.814 5.810 1.00 0.00 N ATOM 855 CA GLY A 61 -5.163 10.281 4.479 1.00 0.00 C ATOM 856 C GLY A 61 -4.196 9.779 3.425 1.00 0.00 C ATOM 857 O GLY A 61 -4.610 9.227 2.404 1.00 0.00 O ATOM 0 H GLY A 61 -4.763 8.800 5.906 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.172 9.953 4.228 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.171 11.371 4.471 1.00 0.00 H new ATOM 861 N LEU A 62 -2.905 9.971 3.669 1.00 0.00 N ATOM 862 CA LEU A 62 -1.875 9.535 2.732 1.00 0.00 C ATOM 863 C LEU A 62 -1.829 8.013 2.643 1.00 0.00 C ATOM 864 O LEU A 62 -1.747 7.447 1.552 1.00 0.00 O ATOM 865 CB LEU A 62 -0.509 10.074 3.158 1.00 0.00 C ATOM 866 CG LEU A 62 -0.349 11.595 3.131 1.00 0.00 C ATOM 867 CD1 LEU A 62 0.976 12.003 3.756 1.00 0.00 C ATOM 868 CD2 LEU A 62 -0.451 12.117 1.705 1.00 0.00 C ATOM 0 H LEU A 62 -2.546 10.426 4.508 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.123 9.931 1.747 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.302 9.725 4.170 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.250 9.637 2.509 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.155 12.036 3.717 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.073 13.088 3.728 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.010 11.662 4.791 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.796 11.551 3.198 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.335 13.201 1.705 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.334 11.668 1.096 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.425 11.857 1.291 1.00 0.00 H new ATOM 880 N LEU A 63 -1.884 7.357 3.796 1.00 0.00 N ATOM 881 CA LEU A 63 -1.851 5.899 3.849 1.00 0.00 C ATOM 882 C LEU A 63 -3.042 5.355 4.631 1.00 0.00 C ATOM 883 O LEU A 63 -3.725 6.098 5.336 1.00 0.00 O ATOM 884 CB LEU A 63 -0.546 5.422 4.489 1.00 0.00 C ATOM 885 CG LEU A 63 0.710 5.546 3.625 1.00 0.00 C ATOM 886 CD1 LEU A 63 1.957 5.288 4.456 1.00 0.00 C ATOM 887 CD2 LEU A 63 0.643 4.585 2.446 1.00 0.00 C ATOM 0 H LEU A 63 -1.952 7.811 4.707 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.908 5.522 2.828 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.388 5.987 5.408 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.665 4.377 4.774 1.00 0.00 H new ATOM 0 HG LEU A 63 0.762 6.563 3.236 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.841 5.381 3.825 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.012 6.016 5.266 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.914 4.282 4.874 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.545 4.687 1.842 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.566 3.562 2.814 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.230 4.817 1.836 1.00 0.00 H new ATOM 899 N GLN A 64 -3.284 4.055 4.503 1.00 0.00 N ATOM 900 CA GLN A 64 -4.392 3.412 5.199 1.00 0.00 C ATOM 901 C GLN A 64 -3.966 2.064 5.772 1.00 0.00 C ATOM 902 O GLN A 64 -2.941 1.509 5.380 1.00 0.00 O ATOM 903 CB GLN A 64 -5.578 3.224 4.250 1.00 0.00 C ATOM 904 CG GLN A 64 -6.327 4.512 3.951 1.00 0.00 C ATOM 905 CD GLN A 64 -7.767 4.268 3.543 1.00 0.00 C ATOM 906 OE1 GLN A 64 -8.699 4.676 4.237 1.00 0.00 O ATOM 907 NE2 GLN A 64 -7.957 3.600 2.411 1.00 0.00 N ATOM 0 H GLN A 64 -2.728 3.426 3.924 1.00 0.00 H new ATOM 0 HA GLN A 64 -4.694 4.058 6.023 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.219 2.796 3.314 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -6.270 2.503 4.685 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -6.307 5.153 4.833 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -5.814 5.050 3.154 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -7.156 3.280 1.867 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -8.904 3.407 2.086 1.00 0.00 H new ATOM 916 N GLU A 65 -4.761 1.545 6.704 1.00 0.00 N ATOM 917 CA GLU A 65 -4.464 0.263 7.332 1.00 0.00 C ATOM 918 C GLU A 65 -4.459 -0.860 6.299 1.00 0.00 C ATOM 919 O GLU A 65 -5.280 -0.879 5.383 1.00 0.00 O ATOM 920 CB GLU A 65 -5.487 -0.041 8.428 1.00 0.00 C ATOM 921 CG GLU A 65 -4.916 -0.839 9.588 1.00 0.00 C ATOM 922 CD GLU A 65 -5.958 -1.705 10.269 1.00 0.00 C ATOM 923 OE1 GLU A 65 -6.915 -1.144 10.843 1.00 0.00 O ATOM 924 OE2 GLU A 65 -5.816 -2.945 10.229 1.00 0.00 O ATOM 0 H GLU A 65 -5.614 1.992 7.040 1.00 0.00 H new ATOM 0 HA GLU A 65 -3.472 0.326 7.779 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -5.890 0.898 8.807 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.320 -0.593 7.993 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.105 -1.470 9.225 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -4.485 -0.154 10.318 1.00 0.00 H new ATOM 931 N ASN A 66 -3.527 -1.795 6.455 1.00 0.00 N ATOM 932 CA ASN A 66 -3.413 -2.922 5.536 1.00 0.00 C ATOM 933 C ASN A 66 -2.795 -2.483 4.212 1.00 0.00 C ATOM 934 O ASN A 66 -3.047 -3.085 3.168 1.00 0.00 O ATOM 935 CB ASN A 66 -4.789 -3.545 5.288 1.00 0.00 C ATOM 936 CG ASN A 66 -5.652 -3.556 6.534 1.00 0.00 C ATOM 937 OD1 ASN A 66 -6.759 -2.823 6.494 1.00 0.00 O flip ATOM 938 ND2 ASN A 66 -5.327 -4.215 7.522 1.00 0.00 N flip ATOM 0 H ASN A 66 -2.840 -1.794 7.209 1.00 0.00 H new ATOM 0 HA ASN A 66 -2.761 -3.667 5.992 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -5.299 -2.990 4.501 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -4.663 -4.566 4.928 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -4.467 -4.764 7.509 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -5.917 -4.212 8.354 1.00 0.00 H new ATOM 945 N ASP A 67 -1.984 -1.433 4.263 1.00 0.00 N ATOM 946 CA ASP A 67 -1.327 -0.914 3.068 1.00 0.00 C ATOM 947 C ASP A 67 -0.099 -1.748 2.718 1.00 0.00 C ATOM 948 O ASP A 67 1.034 -1.340 2.973 1.00 0.00 O ATOM 949 CB ASP A 67 -0.925 0.547 3.275 1.00 0.00 C ATOM 950 CG ASP A 67 -2.054 1.508 2.961 1.00 0.00 C ATOM 951 OD1 ASP A 67 -3.228 1.089 3.037 1.00 0.00 O ATOM 952 OD2 ASP A 67 -1.764 2.679 2.638 1.00 0.00 O ATOM 0 H ASP A 67 -1.765 -0.924 5.119 1.00 0.00 H new ATOM 0 HA ASP A 67 -2.033 -0.974 2.240 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -0.606 0.690 4.307 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -0.068 0.778 2.642 1.00 0.00 H new ATOM 957 N ARG A 68 -0.332 -2.919 2.134 1.00 0.00 N ATOM 958 CA ARG A 68 0.755 -3.812 1.751 1.00 0.00 C ATOM 959 C ARG A 68 1.965 -3.018 1.266 1.00 0.00 C ATOM 960 O ARG A 68 1.998 -2.550 0.128 1.00 0.00 O ATOM 961 CB ARG A 68 0.291 -4.775 0.656 1.00 0.00 C ATOM 962 CG ARG A 68 0.983 -6.127 0.702 1.00 0.00 C ATOM 963 CD ARG A 68 0.207 -7.122 1.550 1.00 0.00 C ATOM 964 NE ARG A 68 0.479 -8.503 1.161 1.00 0.00 N ATOM 965 CZ ARG A 68 -0.366 -9.506 1.370 1.00 0.00 C ATOM 966 NH1 ARG A 68 -1.532 -9.283 1.961 1.00 0.00 N ATOM 967 NH2 ARG A 68 -0.046 -10.736 0.987 1.00 0.00 N ATOM 0 H ARG A 68 -1.264 -3.271 1.916 1.00 0.00 H new ATOM 0 HA ARG A 68 1.047 -4.386 2.630 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.785 -4.924 0.747 1.00 0.00 H new ATOM 0 HB3 ARG A 68 0.469 -4.318 -0.317 1.00 0.00 H new ATOM 0 HG2 ARG A 68 1.091 -6.516 -0.310 1.00 0.00 H new ATOM 0 HG3 ARG A 68 1.988 -6.009 1.107 1.00 0.00 H new ATOM 0 HD2 ARG A 68 0.466 -6.983 2.600 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -0.861 -6.923 1.456 1.00 0.00 H new ATOM 0 HE ARG A 68 1.367 -8.709 0.703 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -1.782 -8.339 2.256 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -2.179 -10.055 2.120 1.00 0.00 H new ATOM 0 HH21 ARG A 68 0.850 -10.912 0.532 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -0.696 -11.506 1.148 1.00 0.00 H new ATOM 981 N VAL A 69 2.957 -2.870 2.138 1.00 0.00 N ATOM 982 CA VAL A 69 4.169 -2.134 1.799 1.00 0.00 C ATOM 983 C VAL A 69 4.982 -2.872 0.741 1.00 0.00 C ATOM 984 O VAL A 69 5.265 -4.062 0.878 1.00 0.00 O ATOM 985 CB VAL A 69 5.051 -1.904 3.040 1.00 0.00 C ATOM 986 CG1 VAL A 69 6.276 -1.077 2.679 1.00 0.00 C ATOM 987 CG2 VAL A 69 4.251 -1.231 4.145 1.00 0.00 C ATOM 0 H VAL A 69 2.945 -3.250 3.084 1.00 0.00 H new ATOM 0 HA VAL A 69 3.853 -1.169 1.403 1.00 0.00 H new ATOM 0 HB VAL A 69 5.391 -2.873 3.407 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.887 -0.925 3.569 1.00 0.00 H new ATOM 0 HG12 VAL A 69 6.860 -1.602 1.923 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.960 -0.111 2.286 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.890 -1.076 5.014 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.880 -0.269 3.791 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.409 -1.865 4.422 1.00 0.00 H new ATOM 997 N VAL A 70 5.357 -2.156 -0.315 1.00 0.00 N ATOM 998 CA VAL A 70 6.140 -2.742 -1.396 1.00 0.00 C ATOM 999 C VAL A 70 7.556 -2.176 -1.419 1.00 0.00 C ATOM 1000 O VAL A 70 8.531 -2.914 -1.282 1.00 0.00 O ATOM 1001 CB VAL A 70 5.478 -2.495 -2.765 1.00 0.00 C ATOM 1002 CG1 VAL A 70 6.105 -3.383 -3.829 1.00 0.00 C ATOM 1003 CG2 VAL A 70 3.977 -2.726 -2.681 1.00 0.00 C ATOM 0 H VAL A 70 5.131 -1.170 -0.444 1.00 0.00 H new ATOM 0 HA VAL A 70 6.184 -3.815 -1.210 1.00 0.00 H new ATOM 0 HB VAL A 70 5.646 -1.456 -3.048 1.00 0.00 H new ATOM 0 HG11 VAL A 70 5.625 -3.195 -4.789 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.170 -3.162 -3.906 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.971 -4.429 -3.555 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.526 -2.547 -3.657 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.784 -3.754 -2.375 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.544 -2.043 -1.950 1.00 0.00 H new ATOM 1013 N MET A 71 7.660 -0.863 -1.591 1.00 0.00 N ATOM 1014 CA MET A 71 8.957 -0.198 -1.630 1.00 0.00 C ATOM 1015 C MET A 71 8.949 1.060 -0.767 1.00 0.00 C ATOM 1016 O MET A 71 7.902 1.674 -0.556 1.00 0.00 O ATOM 1017 CB MET A 71 9.328 0.160 -3.070 1.00 0.00 C ATOM 1018 CG MET A 71 10.523 1.094 -3.176 1.00 0.00 C ATOM 1019 SD MET A 71 11.434 0.885 -4.717 1.00 0.00 S ATOM 1020 CE MET A 71 12.359 -0.608 -4.363 1.00 0.00 C ATOM 0 H MET A 71 6.862 -0.238 -1.706 1.00 0.00 H new ATOM 0 HA MET A 71 9.702 -0.886 -1.231 1.00 0.00 H new ATOM 0 HB2 MET A 71 9.544 -0.756 -3.619 1.00 0.00 H new ATOM 0 HB3 MET A 71 8.469 0.626 -3.553 1.00 0.00 H new ATOM 0 HG2 MET A 71 10.181 2.126 -3.098 1.00 0.00 H new ATOM 0 HG3 MET A 71 11.194 0.916 -2.335 1.00 0.00 H new ATOM 0 HE1 MET A 71 13.422 -0.373 -4.308 1.00 0.00 H new ATOM 0 HE2 MET A 71 12.029 -1.023 -3.411 1.00 0.00 H new ATOM 0 HE3 MET A 71 12.189 -1.337 -5.155 1.00 0.00 H new ATOM 1030 N VAL A 72 10.122 1.439 -0.270 1.00 0.00 N ATOM 1031 CA VAL A 72 10.250 2.624 0.570 1.00 0.00 C ATOM 1032 C VAL A 72 11.503 3.417 0.215 1.00 0.00 C ATOM 1033 O VAL A 72 12.617 3.021 0.556 1.00 0.00 O ATOM 1034 CB VAL A 72 10.297 2.252 2.064 1.00 0.00 C ATOM 1035 CG1 VAL A 72 10.515 3.492 2.917 1.00 0.00 C ATOM 1036 CG2 VAL A 72 9.022 1.530 2.473 1.00 0.00 C ATOM 0 H VAL A 72 10.998 0.942 -0.435 1.00 0.00 H new ATOM 0 HA VAL A 72 9.369 3.239 0.385 1.00 0.00 H new ATOM 0 HB VAL A 72 11.137 1.577 2.226 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.545 3.209 3.969 1.00 0.00 H new ATOM 0 HG12 VAL A 72 11.458 3.963 2.640 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.698 4.194 2.754 1.00 0.00 H new ATOM 0 HG21 VAL A 72 9.072 1.275 3.531 1.00 0.00 H new ATOM 0 HG22 VAL A 72 8.164 2.179 2.296 1.00 0.00 H new ATOM 0 HG23 VAL A 72 8.915 0.619 1.884 1.00 0.00 H new ATOM 1046 N ASN A 73 11.312 4.538 -0.472 1.00 0.00 N ATOM 1047 CA ASN A 73 12.428 5.388 -0.873 1.00 0.00 C ATOM 1048 C ASN A 73 13.461 4.591 -1.664 1.00 0.00 C ATOM 1049 O ASN A 73 14.662 4.836 -1.561 1.00 0.00 O ATOM 1050 CB ASN A 73 13.086 6.017 0.356 1.00 0.00 C ATOM 1051 CG ASN A 73 12.439 7.331 0.749 1.00 0.00 C ATOM 1052 OD1 ASN A 73 11.793 7.987 -0.069 1.00 0.00 O ATOM 1053 ND2 ASN A 73 12.609 7.722 2.007 1.00 0.00 N ATOM 0 H ASN A 73 10.396 4.879 -0.763 1.00 0.00 H new ATOM 0 HA ASN A 73 12.037 6.180 -1.512 1.00 0.00 H new ATOM 0 HB2 ASN A 73 13.026 5.321 1.193 1.00 0.00 H new ATOM 0 HB3 ASN A 73 14.144 6.182 0.154 1.00 0.00 H new ATOM 0 HD21 ASN A 73 12.196 8.597 2.329 1.00 0.00 H new ATOM 0 HD22 ASN A 73 13.152 7.147 2.651 1.00 0.00 H new ATOM 1060 N GLY A 74 12.984 3.635 -2.456 1.00 0.00 N ATOM 1061 CA GLY A 74 13.878 2.816 -3.253 1.00 0.00 C ATOM 1062 C GLY A 74 14.366 1.592 -2.505 1.00 0.00 C ATOM 1063 O GLY A 74 15.410 1.028 -2.834 1.00 0.00 O ATOM 0 H GLY A 74 11.994 3.413 -2.560 1.00 0.00 H new ATOM 0 HA2 GLY A 74 13.364 2.502 -4.162 1.00 0.00 H new ATOM 0 HA3 GLY A 74 14.735 3.414 -3.562 1.00 0.00 H new ATOM 1067 N THR A 75 13.610 1.178 -1.493 1.00 0.00 N ATOM 1068 CA THR A 75 13.972 0.015 -0.693 1.00 0.00 C ATOM 1069 C THR A 75 12.865 -1.033 -0.714 1.00 0.00 C ATOM 1070 O THR A 75 11.713 -0.760 -0.377 1.00 0.00 O ATOM 1071 CB THR A 75 14.265 0.406 0.767 1.00 0.00 C ATOM 1072 OG1 THR A 75 15.189 1.500 0.806 1.00 0.00 O ATOM 1073 CG2 THR A 75 14.836 -0.774 1.539 1.00 0.00 C ATOM 0 H THR A 75 12.742 1.632 -1.208 1.00 0.00 H new ATOM 0 HA THR A 75 14.875 -0.405 -1.137 1.00 0.00 H new ATOM 0 HB THR A 75 13.327 0.706 1.234 1.00 0.00 H new ATOM 0 HG1 THR A 75 15.215 1.874 1.711 1.00 0.00 H new ATOM 0 HG21 THR A 75 15.035 -0.474 2.568 1.00 0.00 H new ATOM 0 HG22 THR A 75 14.118 -1.594 1.533 1.00 0.00 H new ATOM 0 HG23 THR A 75 15.764 -1.101 1.070 1.00 0.00 H new ATOM 1081 N PRO A 76 13.219 -2.261 -1.120 1.00 0.00 N ATOM 1082 CA PRO A 76 12.270 -3.375 -1.193 1.00 0.00 C ATOM 1083 C PRO A 76 11.827 -3.852 0.186 1.00 0.00 C ATOM 1084 O PRO A 76 12.655 -4.187 1.032 1.00 0.00 O ATOM 1085 CB PRO A 76 13.063 -4.472 -1.908 1.00 0.00 C ATOM 1086 CG PRO A 76 14.490 -4.156 -1.619 1.00 0.00 C ATOM 1087 CD PRO A 76 14.575 -2.657 -1.537 1.00 0.00 C ATOM 0 HA PRO A 76 11.350 -3.092 -1.705 1.00 0.00 H new ATOM 0 HB2 PRO A 76 12.793 -5.461 -1.537 1.00 0.00 H new ATOM 0 HB3 PRO A 76 12.866 -4.469 -2.980 1.00 0.00 H new ATOM 0 HG2 PRO A 76 14.810 -4.616 -0.684 1.00 0.00 H new ATOM 0 HG3 PRO A 76 15.141 -4.541 -2.403 1.00 0.00 H new ATOM 0 HD2 PRO A 76 15.327 -2.336 -0.816 1.00 0.00 H new ATOM 0 HD3 PRO A 76 14.845 -2.217 -2.497 1.00 0.00 H new ATOM 1095 N MET A 77 10.516 -3.880 0.405 1.00 0.00 N ATOM 1096 CA MET A 77 9.965 -4.317 1.682 1.00 0.00 C ATOM 1097 C MET A 77 9.292 -5.679 1.545 1.00 0.00 C ATOM 1098 O MET A 77 8.534 -6.097 2.420 1.00 0.00 O ATOM 1099 CB MET A 77 8.960 -3.289 2.206 1.00 0.00 C ATOM 1100 CG MET A 77 9.430 -1.851 2.061 1.00 0.00 C ATOM 1101 SD MET A 77 10.341 -1.269 3.504 1.00 0.00 S ATOM 1102 CE MET A 77 12.028 -1.411 2.919 1.00 0.00 C ATOM 0 H MET A 77 9.817 -3.605 -0.285 1.00 0.00 H new ATOM 0 HA MET A 77 10.786 -4.407 2.393 1.00 0.00 H new ATOM 0 HB2 MET A 77 8.017 -3.410 1.672 1.00 0.00 H new ATOM 0 HB3 MET A 77 8.759 -3.493 3.258 1.00 0.00 H new ATOM 0 HG2 MET A 77 10.064 -1.767 1.178 1.00 0.00 H new ATOM 0 HG3 MET A 77 8.567 -1.206 1.896 1.00 0.00 H new ATOM 0 HE1 MET A 77 12.706 -1.455 3.771 1.00 0.00 H new ATOM 0 HE2 MET A 77 12.132 -2.319 2.326 1.00 0.00 H new ATOM 0 HE3 MET A 77 12.274 -0.546 2.304 1.00 0.00 H new ATOM 1112 N GLU A 78 9.575 -6.367 0.443 1.00 0.00 N ATOM 1113 CA GLU A 78 8.996 -7.681 0.193 1.00 0.00 C ATOM 1114 C GLU A 78 9.908 -8.786 0.719 1.00 0.00 C ATOM 1115 O GLU A 78 11.073 -8.881 0.331 1.00 0.00 O ATOM 1116 CB GLU A 78 8.748 -7.878 -1.304 1.00 0.00 C ATOM 1117 CG GLU A 78 9.971 -7.608 -2.164 1.00 0.00 C ATOM 1118 CD GLU A 78 9.886 -8.273 -3.524 1.00 0.00 C ATOM 1119 OE1 GLU A 78 9.936 -9.520 -3.579 1.00 0.00 O ATOM 1120 OE2 GLU A 78 9.771 -7.546 -4.533 1.00 0.00 O ATOM 0 H GLU A 78 10.202 -6.036 -0.290 1.00 0.00 H new ATOM 0 HA GLU A 78 8.044 -7.737 0.721 1.00 0.00 H new ATOM 0 HB2 GLU A 78 8.411 -8.900 -1.477 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.939 -7.219 -1.620 1.00 0.00 H new ATOM 0 HG2 GLU A 78 10.087 -6.532 -2.296 1.00 0.00 H new ATOM 0 HG3 GLU A 78 10.861 -7.963 -1.645 1.00 0.00 H new ATOM 1127 N ASP A 79 9.369 -9.619 1.602 1.00 0.00 N ATOM 1128 CA ASP A 79 10.133 -10.718 2.181 1.00 0.00 C ATOM 1129 C ASP A 79 11.285 -10.191 3.031 1.00 0.00 C ATOM 1130 O ASP A 79 12.407 -10.693 2.954 1.00 0.00 O ATOM 1131 CB ASP A 79 10.672 -11.630 1.078 1.00 0.00 C ATOM 1132 CG ASP A 79 10.784 -13.075 1.523 1.00 0.00 C ATOM 1133 OD1 ASP A 79 9.744 -13.668 1.878 1.00 0.00 O ATOM 1134 OD2 ASP A 79 11.912 -13.612 1.518 1.00 0.00 O ATOM 0 H ASP A 79 8.406 -9.554 1.933 1.00 0.00 H new ATOM 0 HA ASP A 79 9.465 -11.293 2.823 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.017 -11.570 0.209 1.00 0.00 H new ATOM 0 HB3 ASP A 79 11.652 -11.273 0.763 1.00 0.00 H new ATOM 1139 N VAL A 80 11.001 -9.176 3.840 1.00 0.00 N ATOM 1140 CA VAL A 80 12.014 -8.580 4.704 1.00 0.00 C ATOM 1141 C VAL A 80 11.617 -8.691 6.172 1.00 0.00 C ATOM 1142 O VAL A 80 10.519 -9.143 6.497 1.00 0.00 O ATOM 1143 CB VAL A 80 12.247 -7.098 4.356 1.00 0.00 C ATOM 1144 CG1 VAL A 80 12.601 -6.944 2.885 1.00 0.00 C ATOM 1145 CG2 VAL A 80 11.020 -6.270 4.708 1.00 0.00 C ATOM 0 H VAL A 80 10.078 -8.749 3.916 1.00 0.00 H new ATOM 0 HA VAL A 80 12.938 -9.133 4.538 1.00 0.00 H new ATOM 0 HB VAL A 80 13.087 -6.731 4.947 1.00 0.00 H new ATOM 0 HG11 VAL A 80 12.762 -5.890 2.658 1.00 0.00 H new ATOM 0 HG12 VAL A 80 13.510 -7.505 2.669 1.00 0.00 H new ATOM 0 HG13 VAL A 80 11.785 -7.327 2.272 1.00 0.00 H new ATOM 0 HG21 VAL A 80 11.201 -5.225 4.456 1.00 0.00 H new ATOM 0 HG22 VAL A 80 10.161 -6.635 4.145 1.00 0.00 H new ATOM 0 HG23 VAL A 80 10.817 -6.356 5.776 1.00 0.00 H new ATOM 1155 N LEU A 81 12.518 -8.274 7.055 1.00 0.00 N ATOM 1156 CA LEU A 81 12.263 -8.325 8.490 1.00 0.00 C ATOM 1157 C LEU A 81 11.515 -7.080 8.955 1.00 0.00 C ATOM 1158 O LEU A 81 11.764 -5.976 8.469 1.00 0.00 O ATOM 1159 CB LEU A 81 13.579 -8.460 9.258 1.00 0.00 C ATOM 1160 CG LEU A 81 14.314 -9.791 9.101 1.00 0.00 C ATOM 1161 CD1 LEU A 81 15.625 -9.770 9.871 1.00 0.00 C ATOM 1162 CD2 LEU A 81 13.437 -10.943 9.569 1.00 0.00 C ATOM 0 H LEU A 81 13.431 -7.897 6.802 1.00 0.00 H new ATOM 0 HA LEU A 81 11.641 -9.197 8.692 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.246 -7.659 8.939 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.376 -8.303 10.317 1.00 0.00 H new ATOM 0 HG LEU A 81 14.539 -9.938 8.045 1.00 0.00 H new ATOM 0 HD11 LEU A 81 16.135 -10.726 9.748 1.00 0.00 H new ATOM 0 HD12 LEU A 81 16.258 -8.969 9.489 1.00 0.00 H new ATOM 0 HD13 LEU A 81 15.423 -9.600 10.929 1.00 0.00 H new ATOM 0 HD21 LEU A 81 13.976 -11.883 9.450 1.00 0.00 H new ATOM 0 HD22 LEU A 81 13.181 -10.802 10.619 1.00 0.00 H new ATOM 0 HD23 LEU A 81 12.524 -10.971 8.974 1.00 0.00 H new ATOM 1174 N HIS A 82 10.598 -7.264 9.900 1.00 0.00 N ATOM 1175 CA HIS A 82 9.816 -6.155 10.433 1.00 0.00 C ATOM 1176 C HIS A 82 10.717 -4.978 10.795 1.00 0.00 C ATOM 1177 O HIS A 82 10.371 -3.821 10.556 1.00 0.00 O ATOM 1178 CB HIS A 82 9.026 -6.604 11.662 1.00 0.00 C ATOM 1179 CG HIS A 82 8.605 -5.473 12.550 1.00 0.00 C ATOM 1180 ND1 HIS A 82 9.338 -4.563 13.233 1.00 0.00 N flip ATOM 1181 CD2 HIS A 82 7.285 -5.180 12.819 1.00 0.00 C flip ATOM 1182 CE1 HIS A 82 8.457 -3.744 13.894 1.00 0.00 C flip ATOM 1183 NE2 HIS A 82 7.224 -4.136 13.627 1.00 0.00 N flip ATOM 0 H HIS A 82 10.379 -8.171 10.312 1.00 0.00 H new ATOM 0 HA HIS A 82 9.119 -5.831 9.660 1.00 0.00 H new ATOM 0 HB2 HIS A 82 8.140 -7.148 11.335 1.00 0.00 H new ATOM 0 HB3 HIS A 82 9.633 -7.302 12.239 1.00 0.00 H new ATOM 0 HD2 HIS A 82 6.434 -5.719 12.430 1.00 0.00 H new ATOM 0 HE1 HIS A 82 8.728 -2.914 14.529 1.00 0.00 H new ATOM 0 HE2 HIS A 82 6.370 -3.706 13.984 1.00 0.00 H new ATOM 1192 N SER A 83 11.875 -5.282 11.373 1.00 0.00 N ATOM 1193 CA SER A 83 12.824 -4.249 11.772 1.00 0.00 C ATOM 1194 C SER A 83 13.405 -3.544 10.550 1.00 0.00 C ATOM 1195 O SER A 83 13.712 -2.353 10.594 1.00 0.00 O ATOM 1196 CB SER A 83 13.952 -4.859 12.607 1.00 0.00 C ATOM 1197 OG SER A 83 14.784 -5.687 11.813 1.00 0.00 O ATOM 0 H SER A 83 12.178 -6.235 11.575 1.00 0.00 H new ATOM 0 HA SER A 83 12.291 -3.514 12.375 1.00 0.00 H new ATOM 0 HB2 SER A 83 14.547 -4.064 13.056 1.00 0.00 H new ATOM 0 HB3 SER A 83 13.529 -5.441 13.425 1.00 0.00 H new ATOM 0 HG SER A 83 15.498 -6.063 12.369 1.00 0.00 H new ATOM 1203 N PHE A 84 13.553 -4.289 9.459 1.00 0.00 N ATOM 1204 CA PHE A 84 14.098 -3.736 8.225 1.00 0.00 C ATOM 1205 C PHE A 84 13.138 -2.719 7.614 1.00 0.00 C ATOM 1206 O PHE A 84 13.560 -1.684 7.099 1.00 0.00 O ATOM 1207 CB PHE A 84 14.379 -4.856 7.220 1.00 0.00 C ATOM 1208 CG PHE A 84 14.946 -4.366 5.919 1.00 0.00 C ATOM 1209 CD1 PHE A 84 16.272 -3.975 5.829 1.00 0.00 C ATOM 1210 CD2 PHE A 84 14.152 -4.295 4.785 1.00 0.00 C ATOM 1211 CE1 PHE A 84 16.797 -3.524 4.632 1.00 0.00 C ATOM 1212 CE2 PHE A 84 14.671 -3.844 3.586 1.00 0.00 C ATOM 1213 CZ PHE A 84 15.995 -3.457 3.510 1.00 0.00 C ATOM 0 H PHE A 84 13.303 -5.276 9.405 1.00 0.00 H new ATOM 0 HA PHE A 84 15.033 -3.229 8.465 1.00 0.00 H new ATOM 0 HB2 PHE A 84 15.075 -5.567 7.666 1.00 0.00 H new ATOM 0 HB3 PHE A 84 13.453 -5.397 7.023 1.00 0.00 H new ATOM 0 HD1 PHE A 84 16.903 -4.023 6.704 1.00 0.00 H new ATOM 0 HD2 PHE A 84 13.116 -4.596 4.839 1.00 0.00 H new ATOM 0 HE1 PHE A 84 17.833 -3.225 4.575 1.00 0.00 H new ATOM 0 HE2 PHE A 84 14.042 -3.794 2.709 1.00 0.00 H new ATOM 0 HZ PHE A 84 16.402 -3.103 2.575 1.00 0.00 H new ATOM 1223 N ALA A 85 11.846 -3.023 7.675 1.00 0.00 N ATOM 1224 CA ALA A 85 10.826 -2.136 7.130 1.00 0.00 C ATOM 1225 C ALA A 85 10.793 -0.809 7.882 1.00 0.00 C ATOM 1226 O ALA A 85 10.750 0.260 7.274 1.00 0.00 O ATOM 1227 CB ALA A 85 9.461 -2.807 7.180 1.00 0.00 C ATOM 0 H ALA A 85 11.481 -3.877 8.097 1.00 0.00 H new ATOM 0 HA ALA A 85 11.079 -1.928 6.090 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.709 -2.133 6.770 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.485 -3.725 6.592 1.00 0.00 H new ATOM 0 HB3 ALA A 85 9.210 -3.045 8.214 1.00 0.00 H new ATOM 1233 N VAL A 86 10.814 -0.886 9.209 1.00 0.00 N ATOM 1234 CA VAL A 86 10.787 0.308 10.044 1.00 0.00 C ATOM 1235 C VAL A 86 12.088 1.094 9.922 1.00 0.00 C ATOM 1236 O VAL A 86 12.077 2.322 9.843 1.00 0.00 O ATOM 1237 CB VAL A 86 10.552 -0.047 11.525 1.00 0.00 C ATOM 1238 CG1 VAL A 86 11.521 -1.130 11.975 1.00 0.00 C ATOM 1239 CG2 VAL A 86 10.681 1.193 12.397 1.00 0.00 C ATOM 0 H VAL A 86 10.850 -1.763 9.728 1.00 0.00 H new ATOM 0 HA VAL A 86 9.960 0.923 9.690 1.00 0.00 H new ATOM 0 HB VAL A 86 9.538 -0.434 11.632 1.00 0.00 H new ATOM 0 HG11 VAL A 86 11.340 -1.367 13.023 1.00 0.00 H new ATOM 0 HG12 VAL A 86 11.374 -2.024 11.370 1.00 0.00 H new ATOM 0 HG13 VAL A 86 12.545 -0.775 11.855 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.512 0.924 13.440 1.00 0.00 H new ATOM 0 HG22 VAL A 86 11.681 1.612 12.288 1.00 0.00 H new ATOM 0 HG23 VAL A 86 9.942 1.933 12.089 1.00 0.00 H new ATOM 1249 N GLN A 87 13.207 0.377 9.908 1.00 0.00 N ATOM 1250 CA GLN A 87 14.516 1.007 9.795 1.00 0.00 C ATOM 1251 C GLN A 87 14.483 2.158 8.795 1.00 0.00 C ATOM 1252 O GLN A 87 14.796 3.298 9.135 1.00 0.00 O ATOM 1253 CB GLN A 87 15.567 -0.021 9.373 1.00 0.00 C ATOM 1254 CG GLN A 87 16.961 0.282 9.898 1.00 0.00 C ATOM 1255 CD GLN A 87 17.264 -0.437 11.198 1.00 0.00 C ATOM 1256 OE1 GLN A 87 16.419 -1.152 11.737 1.00 0.00 O ATOM 1257 NE2 GLN A 87 18.475 -0.250 11.709 1.00 0.00 N ATOM 0 H GLN A 87 13.233 -0.641 9.974 1.00 0.00 H new ATOM 0 HA GLN A 87 14.783 1.408 10.773 1.00 0.00 H new ATOM 0 HB2 GLN A 87 15.261 -1.006 9.726 1.00 0.00 H new ATOM 0 HB3 GLN A 87 15.600 -0.068 8.285 1.00 0.00 H new ATOM 0 HG2 GLN A 87 17.698 -0.005 9.148 1.00 0.00 H new ATOM 0 HG3 GLN A 87 17.062 1.357 10.049 1.00 0.00 H new ATOM 0 HE21 GLN A 87 19.144 0.351 11.228 1.00 0.00 H new ATOM 0 HE22 GLN A 87 18.736 -0.708 12.582 1.00 0.00 H new ATOM 1266 N GLN A 88 14.101 1.850 7.559 1.00 0.00 N ATOM 1267 CA GLN A 88 14.028 2.859 6.509 1.00 0.00 C ATOM 1268 C GLN A 88 13.247 4.081 6.982 1.00 0.00 C ATOM 1269 O GLN A 88 13.627 5.219 6.703 1.00 0.00 O ATOM 1270 CB GLN A 88 13.374 2.274 5.256 1.00 0.00 C ATOM 1271 CG GLN A 88 14.064 1.024 4.736 1.00 0.00 C ATOM 1272 CD GLN A 88 15.421 1.316 4.128 1.00 0.00 C ATOM 1273 OE1 GLN A 88 15.636 2.378 3.541 1.00 0.00 O ATOM 1274 NE2 GLN A 88 16.347 0.375 4.265 1.00 0.00 N ATOM 0 H GLN A 88 13.838 0.911 7.261 1.00 0.00 H new ATOM 0 HA GLN A 88 15.044 3.171 6.268 1.00 0.00 H new ATOM 0 HB2 GLN A 88 12.333 2.039 5.476 1.00 0.00 H new ATOM 0 HB3 GLN A 88 13.371 3.030 4.471 1.00 0.00 H new ATOM 0 HG2 GLN A 88 14.182 0.312 5.553 1.00 0.00 H new ATOM 0 HG3 GLN A 88 13.430 0.548 3.988 1.00 0.00 H new ATOM 0 HE21 GLN A 88 16.126 -0.490 4.759 1.00 0.00 H new ATOM 0 HE22 GLN A 88 17.279 0.517 3.877 1.00 0.00 H new ATOM 1283 N LEU A 89 12.155 3.838 7.697 1.00 0.00 N ATOM 1284 CA LEU A 89 11.320 4.919 8.209 1.00 0.00 C ATOM 1285 C LEU A 89 12.102 5.800 9.178 1.00 0.00 C ATOM 1286 O LEU A 89 12.155 7.019 9.020 1.00 0.00 O ATOM 1287 CB LEU A 89 10.083 4.349 8.905 1.00 0.00 C ATOM 1288 CG LEU A 89 9.264 3.341 8.098 1.00 0.00 C ATOM 1289 CD1 LEU A 89 8.118 2.792 8.935 1.00 0.00 C ATOM 1290 CD2 LEU A 89 8.736 3.981 6.823 1.00 0.00 C ATOM 0 H LEU A 89 11.827 2.902 7.936 1.00 0.00 H new ATOM 0 HA LEU A 89 11.004 5.531 7.364 1.00 0.00 H new ATOM 0 HB2 LEU A 89 10.400 3.870 9.832 1.00 0.00 H new ATOM 0 HB3 LEU A 89 9.432 5.178 9.181 1.00 0.00 H new ATOM 0 HG LEU A 89 9.915 2.512 7.822 1.00 0.00 H new ATOM 0 HD11 LEU A 89 7.546 2.076 8.344 1.00 0.00 H new ATOM 0 HD12 LEU A 89 8.518 2.295 9.819 1.00 0.00 H new ATOM 0 HD13 LEU A 89 7.467 3.611 9.242 1.00 0.00 H new ATOM 0 HD21 LEU A 89 8.156 3.249 6.262 1.00 0.00 H new ATOM 0 HD22 LEU A 89 8.101 4.829 7.078 1.00 0.00 H new ATOM 0 HD23 LEU A 89 9.573 4.324 6.215 1.00 0.00 H new ATOM 1302 N ARG A 90 12.709 5.173 10.180 1.00 0.00 N ATOM 1303 CA ARG A 90 13.490 5.899 11.175 1.00 0.00 C ATOM 1304 C ARG A 90 14.736 6.514 10.545 1.00 0.00 C ATOM 1305 O ARG A 90 15.298 7.478 11.066 1.00 0.00 O ATOM 1306 CB ARG A 90 13.892 4.966 12.319 1.00 0.00 C ATOM 1307 CG ARG A 90 14.489 3.649 11.851 1.00 0.00 C ATOM 1308 CD ARG A 90 14.951 2.799 13.024 1.00 0.00 C ATOM 1309 NE ARG A 90 13.922 2.682 14.053 1.00 0.00 N ATOM 1310 CZ ARG A 90 14.177 2.342 15.312 1.00 0.00 C ATOM 1311 NH1 ARG A 90 15.421 2.088 15.694 1.00 0.00 N ATOM 1312 NH2 ARG A 90 13.187 2.257 16.192 1.00 0.00 N ATOM 0 H ARG A 90 12.675 4.164 10.325 1.00 0.00 H new ATOM 0 HA ARG A 90 12.869 6.703 11.571 1.00 0.00 H new ATOM 0 HB2 ARG A 90 14.614 5.477 12.956 1.00 0.00 H new ATOM 0 HB3 ARG A 90 13.015 4.760 12.933 1.00 0.00 H new ATOM 0 HG2 ARG A 90 13.749 3.098 11.271 1.00 0.00 H new ATOM 0 HG3 ARG A 90 15.332 3.845 11.188 1.00 0.00 H new ATOM 0 HD2 ARG A 90 15.222 1.805 12.667 1.00 0.00 H new ATOM 0 HD3 ARG A 90 15.850 3.238 13.458 1.00 0.00 H new ATOM 0 HE ARG A 90 12.955 2.872 13.791 1.00 0.00 H new ATOM 0 HH11 ARG A 90 16.185 2.153 15.021 1.00 0.00 H new ATOM 0 HH12 ARG A 90 15.614 1.827 16.661 1.00 0.00 H new ATOM 0 HH21 ARG A 90 12.229 2.453 15.902 1.00 0.00 H new ATOM 0 HH22 ARG A 90 13.384 1.996 17.158 1.00 0.00 H new ATOM 1326 N LYS A 91 15.163 5.951 9.420 1.00 0.00 N ATOM 1327 CA LYS A 91 16.342 6.443 8.717 1.00 0.00 C ATOM 1328 C LYS A 91 15.999 7.663 7.868 1.00 0.00 C ATOM 1329 O LYS A 91 16.813 8.574 7.716 1.00 0.00 O ATOM 1330 CB LYS A 91 16.930 5.342 7.832 1.00 0.00 C ATOM 1331 CG LYS A 91 17.546 4.196 8.615 1.00 0.00 C ATOM 1332 CD LYS A 91 17.777 2.979 7.735 1.00 0.00 C ATOM 1333 CE LYS A 91 19.130 3.041 7.042 1.00 0.00 C ATOM 1334 NZ LYS A 91 19.292 1.949 6.043 1.00 0.00 N ATOM 0 H LYS A 91 14.710 5.153 8.975 1.00 0.00 H new ATOM 0 HA LYS A 91 17.082 6.736 9.461 1.00 0.00 H new ATOM 0 HB2 LYS A 91 16.145 4.949 7.186 1.00 0.00 H new ATOM 0 HB3 LYS A 91 17.690 5.777 7.182 1.00 0.00 H new ATOM 0 HG2 LYS A 91 18.493 4.518 9.048 1.00 0.00 H new ATOM 0 HG3 LYS A 91 16.891 3.927 9.444 1.00 0.00 H new ATOM 0 HD2 LYS A 91 17.718 2.074 8.340 1.00 0.00 H new ATOM 0 HD3 LYS A 91 16.987 2.914 6.987 1.00 0.00 H new ATOM 0 HE2 LYS A 91 19.240 4.006 6.547 1.00 0.00 H new ATOM 0 HE3 LYS A 91 19.923 2.972 7.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 20.226 2.026 5.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 19.212 1.028 6.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 18.551 2.029 5.318 1.00 0.00 H new ATOM 1348 N SER A 92 14.789 7.675 7.318 1.00 0.00 N ATOM 1349 CA SER A 92 14.340 8.782 6.482 1.00 0.00 C ATOM 1350 C SER A 92 14.440 10.106 7.235 1.00 0.00 C ATOM 1351 O SER A 92 13.880 10.260 8.319 1.00 0.00 O ATOM 1352 CB SER A 92 12.899 8.551 6.024 1.00 0.00 C ATOM 1353 OG SER A 92 12.660 9.157 4.766 1.00 0.00 O ATOM 0 H SER A 92 14.102 6.930 7.436 1.00 0.00 H new ATOM 0 HA SER A 92 14.988 8.831 5.607 1.00 0.00 H new ATOM 0 HB2 SER A 92 12.702 7.481 5.959 1.00 0.00 H new ATOM 0 HB3 SER A 92 12.209 8.958 6.764 1.00 0.00 H new ATOM 0 HG SER A 92 12.499 10.116 4.890 1.00 0.00 H new ATOM 1359 N GLY A 93 15.159 11.059 6.650 1.00 0.00 N ATOM 1360 CA GLY A 93 15.320 12.357 7.278 1.00 0.00 C ATOM 1361 C GLY A 93 14.018 12.899 7.834 1.00 0.00 C ATOM 1362 O GLY A 93 13.759 12.804 9.034 1.00 0.00 O ATOM 0 H GLY A 93 15.633 10.955 5.753 1.00 0.00 H new ATOM 0 HA2 GLY A 93 16.051 12.279 8.083 1.00 0.00 H new ATOM 0 HA3 GLY A 93 15.722 13.062 6.550 1.00 0.00 H new ATOM 1366 N LYS A 94 13.196 13.469 6.960 1.00 0.00 N ATOM 1367 CA LYS A 94 11.913 14.028 7.369 1.00 0.00 C ATOM 1368 C LYS A 94 10.789 13.531 6.465 1.00 0.00 C ATOM 1369 O LYS A 94 9.752 13.072 6.944 1.00 0.00 O ATOM 1370 CB LYS A 94 11.967 15.558 7.339 1.00 0.00 C ATOM 1371 CG LYS A 94 10.646 16.220 7.690 1.00 0.00 C ATOM 1372 CD LYS A 94 10.859 17.570 8.354 1.00 0.00 C ATOM 1373 CE LYS A 94 9.536 18.242 8.686 1.00 0.00 C ATOM 1374 NZ LYS A 94 9.720 19.419 9.580 1.00 0.00 N ATOM 0 H LYS A 94 13.395 13.556 5.963 1.00 0.00 H new ATOM 0 HA LYS A 94 11.709 13.697 8.387 1.00 0.00 H new ATOM 0 HB2 LYS A 94 12.732 15.900 8.036 1.00 0.00 H new ATOM 0 HB3 LYS A 94 12.274 15.883 6.345 1.00 0.00 H new ATOM 0 HG2 LYS A 94 10.050 16.348 6.786 1.00 0.00 H new ATOM 0 HG3 LYS A 94 10.078 15.571 8.357 1.00 0.00 H new ATOM 0 HD2 LYS A 94 11.441 17.440 9.266 1.00 0.00 H new ATOM 0 HD3 LYS A 94 11.440 18.214 7.694 1.00 0.00 H new ATOM 0 HE2 LYS A 94 9.048 18.559 7.764 1.00 0.00 H new ATOM 0 HE3 LYS A 94 8.873 17.522 9.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 8.795 19.849 9.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 10.162 19.113 10.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 10.332 20.118 9.112 1.00 0.00 H new ATOM 1388 N ILE A 95 11.004 13.624 5.157 1.00 0.00 N ATOM 1389 CA ILE A 95 10.010 13.181 4.187 1.00 0.00 C ATOM 1390 C ILE A 95 10.397 11.837 3.579 1.00 0.00 C ATOM 1391 O ILE A 95 11.542 11.632 3.177 1.00 0.00 O ATOM 1392 CB ILE A 95 9.829 14.210 3.056 1.00 0.00 C ATOM 1393 CG1 ILE A 95 9.611 15.608 3.639 1.00 0.00 C ATOM 1394 CG2 ILE A 95 8.663 13.815 2.162 1.00 0.00 C ATOM 1395 CD1 ILE A 95 8.351 15.727 4.468 1.00 0.00 C ATOM 0 H ILE A 95 11.857 14.002 4.745 1.00 0.00 H new ATOM 0 HA ILE A 95 9.068 13.076 4.726 1.00 0.00 H new ATOM 0 HB ILE A 95 10.736 14.226 2.451 1.00 0.00 H new ATOM 0 HG12 ILE A 95 10.469 15.873 4.257 1.00 0.00 H new ATOM 0 HG13 ILE A 95 9.570 16.330 2.824 1.00 0.00 H new ATOM 0 HG21 ILE A 95 8.548 14.552 1.367 1.00 0.00 H new ATOM 0 HG22 ILE A 95 8.856 12.836 1.724 1.00 0.00 H new ATOM 0 HG23 ILE A 95 7.749 13.774 2.754 1.00 0.00 H new ATOM 0 HD11 ILE A 95 8.261 16.744 4.849 1.00 0.00 H new ATOM 0 HD12 ILE A 95 7.485 15.493 3.849 1.00 0.00 H new ATOM 0 HD13 ILE A 95 8.398 15.029 5.304 1.00 0.00 H new ATOM 1407 N ALA A 96 9.433 10.924 3.512 1.00 0.00 N ATOM 1408 CA ALA A 96 9.671 9.601 2.949 1.00 0.00 C ATOM 1409 C ALA A 96 8.596 9.236 1.931 1.00 0.00 C ATOM 1410 O ALA A 96 7.464 9.713 2.012 1.00 0.00 O ATOM 1411 CB ALA A 96 9.727 8.559 4.056 1.00 0.00 C ATOM 0 H ALA A 96 8.480 11.077 3.841 1.00 0.00 H new ATOM 0 HA ALA A 96 10.631 9.620 2.434 1.00 0.00 H new ATOM 0 HB1 ALA A 96 9.905 7.575 3.621 1.00 0.00 H new ATOM 0 HB2 ALA A 96 10.536 8.803 4.745 1.00 0.00 H new ATOM 0 HB3 ALA A 96 8.780 8.551 4.596 1.00 0.00 H new ATOM 1417 N ALA A 97 8.958 8.389 0.973 1.00 0.00 N ATOM 1418 CA ALA A 97 8.023 7.959 -0.060 1.00 0.00 C ATOM 1419 C ALA A 97 7.799 6.452 -0.004 1.00 0.00 C ATOM 1420 O ALA A 97 8.657 5.672 -0.418 1.00 0.00 O ATOM 1421 CB ALA A 97 8.532 8.369 -1.434 1.00 0.00 C ATOM 0 H ALA A 97 9.892 7.987 0.891 1.00 0.00 H new ATOM 0 HA ALA A 97 7.066 8.449 0.122 1.00 0.00 H new ATOM 0 HB1 ALA A 97 7.825 8.042 -2.196 1.00 0.00 H new ATOM 0 HB2 ALA A 97 8.635 9.453 -1.475 1.00 0.00 H new ATOM 0 HB3 ALA A 97 9.502 7.906 -1.616 1.00 0.00 H new ATOM 1427 N ILE A 98 6.641 6.050 0.509 1.00 0.00 N ATOM 1428 CA ILE A 98 6.304 4.636 0.618 1.00 0.00 C ATOM 1429 C ILE A 98 5.325 4.218 -0.474 1.00 0.00 C ATOM 1430 O ILE A 98 4.369 4.934 -0.772 1.00 0.00 O ATOM 1431 CB ILE A 98 5.694 4.306 1.993 1.00 0.00 C ATOM 1432 CG1 ILE A 98 6.663 4.695 3.111 1.00 0.00 C ATOM 1433 CG2 ILE A 98 5.344 2.828 2.076 1.00 0.00 C ATOM 1434 CD1 ILE A 98 6.056 4.605 4.494 1.00 0.00 C ATOM 0 H ILE A 98 5.921 6.683 0.856 1.00 0.00 H new ATOM 0 HA ILE A 98 7.234 4.081 0.500 1.00 0.00 H new ATOM 0 HB ILE A 98 4.777 4.883 2.116 1.00 0.00 H new ATOM 0 HG12 ILE A 98 7.538 4.047 3.064 1.00 0.00 H new ATOM 0 HG13 ILE A 98 7.011 5.714 2.941 1.00 0.00 H new ATOM 0 HG21 ILE A 98 4.914 2.610 3.054 1.00 0.00 H new ATOM 0 HG22 ILE A 98 4.621 2.581 1.298 1.00 0.00 H new ATOM 0 HG23 ILE A 98 6.246 2.232 1.935 1.00 0.00 H new ATOM 0 HD11 ILE A 98 6.799 4.895 5.237 1.00 0.00 H new ATOM 0 HD12 ILE A 98 5.198 5.274 4.559 1.00 0.00 H new ATOM 0 HD13 ILE A 98 5.733 3.581 4.684 1.00 0.00 H new ATOM 1446 N VAL A 99 5.569 3.054 -1.067 1.00 0.00 N ATOM 1447 CA VAL A 99 4.708 2.539 -2.124 1.00 0.00 C ATOM 1448 C VAL A 99 3.958 1.294 -1.664 1.00 0.00 C ATOM 1449 O VAL A 99 4.500 0.188 -1.680 1.00 0.00 O ATOM 1450 CB VAL A 99 5.515 2.199 -3.391 1.00 0.00 C ATOM 1451 CG1 VAL A 99 4.583 1.877 -4.549 1.00 0.00 C ATOM 1452 CG2 VAL A 99 6.448 3.346 -3.751 1.00 0.00 C ATOM 0 H VAL A 99 6.357 2.450 -0.833 1.00 0.00 H new ATOM 0 HA VAL A 99 3.991 3.326 -2.359 1.00 0.00 H new ATOM 0 HB VAL A 99 6.121 1.316 -3.188 1.00 0.00 H new ATOM 0 HG11 VAL A 99 5.172 1.639 -5.435 1.00 0.00 H new ATOM 0 HG12 VAL A 99 3.960 1.022 -4.288 1.00 0.00 H new ATOM 0 HG13 VAL A 99 3.948 2.739 -4.756 1.00 0.00 H new ATOM 0 HG21 VAL A 99 7.011 3.089 -4.649 1.00 0.00 H new ATOM 0 HG22 VAL A 99 5.863 4.247 -3.935 1.00 0.00 H new ATOM 0 HG23 VAL A 99 7.140 3.524 -2.928 1.00 0.00 H new ATOM 1462 N VAL A 100 2.707 1.480 -1.255 1.00 0.00 N ATOM 1463 CA VAL A 100 1.881 0.372 -0.792 1.00 0.00 C ATOM 1464 C VAL A 100 0.822 0.006 -1.826 1.00 0.00 C ATOM 1465 O VAL A 100 0.416 0.839 -2.636 1.00 0.00 O ATOM 1466 CB VAL A 100 1.186 0.709 0.541 1.00 0.00 C ATOM 1467 CG1 VAL A 100 2.178 1.318 1.521 1.00 0.00 C ATOM 1468 CG2 VAL A 100 0.011 1.645 0.308 1.00 0.00 C ATOM 0 H VAL A 100 2.243 2.388 -1.235 1.00 0.00 H new ATOM 0 HA VAL A 100 2.547 -0.478 -0.642 1.00 0.00 H new ATOM 0 HB VAL A 100 0.803 -0.215 0.975 1.00 0.00 H new ATOM 0 HG11 VAL A 100 1.669 1.550 2.457 1.00 0.00 H new ATOM 0 HG12 VAL A 100 2.983 0.609 1.712 1.00 0.00 H new ATOM 0 HG13 VAL A 100 2.593 2.233 1.098 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.468 1.872 1.261 1.00 0.00 H new ATOM 0 HG22 VAL A 100 0.367 2.569 -0.149 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -0.710 1.166 -0.355 1.00 0.00 H new ATOM 1478 N LYS A 101 0.377 -1.245 -1.792 1.00 0.00 N ATOM 1479 CA LYS A 101 -0.637 -1.723 -2.724 1.00 0.00 C ATOM 1480 C LYS A 101 -1.846 -2.277 -1.977 1.00 0.00 C ATOM 1481 O LYS A 101 -1.715 -3.170 -1.140 1.00 0.00 O ATOM 1482 CB LYS A 101 -0.051 -2.802 -3.638 1.00 0.00 C ATOM 1483 CG LYS A 101 0.453 -4.024 -2.890 1.00 0.00 C ATOM 1484 CD LYS A 101 0.971 -5.087 -3.844 1.00 0.00 C ATOM 1485 CE LYS A 101 1.154 -6.425 -3.142 1.00 0.00 C ATOM 1486 NZ LYS A 101 2.525 -6.573 -2.579 1.00 0.00 N ATOM 0 H LYS A 101 0.703 -1.947 -1.128 1.00 0.00 H new ATOM 0 HA LYS A 101 -0.963 -0.878 -3.331 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -0.812 -3.113 -4.354 1.00 0.00 H new ATOM 0 HB3 LYS A 101 0.770 -2.373 -4.212 1.00 0.00 H new ATOM 0 HG2 LYS A 101 1.248 -3.730 -2.205 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -0.353 -4.439 -2.284 1.00 0.00 H new ATOM 0 HD2 LYS A 101 0.274 -5.203 -4.674 1.00 0.00 H new ATOM 0 HD3 LYS A 101 1.922 -4.764 -4.268 1.00 0.00 H new ATOM 0 HE2 LYS A 101 0.421 -6.518 -2.341 1.00 0.00 H new ATOM 0 HE3 LYS A 101 0.961 -7.234 -3.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 2.610 -7.497 -2.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 3.224 -6.509 -3.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 2.700 -5.816 -1.888 1.00 0.00 H new ATOM 1500 N ARG A 102 -3.023 -1.741 -2.285 1.00 0.00 N ATOM 1501 CA ARG A 102 -4.255 -2.182 -1.643 1.00 0.00 C ATOM 1502 C ARG A 102 -5.098 -3.018 -2.600 1.00 0.00 C ATOM 1503 O ARG A 102 -5.284 -2.672 -3.767 1.00 0.00 O ATOM 1504 CB ARG A 102 -5.061 -0.976 -1.156 1.00 0.00 C ATOM 1505 CG ARG A 102 -4.258 -0.014 -0.297 1.00 0.00 C ATOM 1506 CD ARG A 102 -4.830 1.394 -0.354 1.00 0.00 C ATOM 1507 NE ARG A 102 -3.797 2.412 -0.186 1.00 0.00 N ATOM 1508 CZ ARG A 102 -4.049 3.661 0.189 1.00 0.00 C ATOM 1509 NH1 ARG A 102 -5.295 4.044 0.436 1.00 0.00 N ATOM 1510 NH2 ARG A 102 -3.055 4.530 0.320 1.00 0.00 N ATOM 0 H ARG A 102 -3.149 -1.001 -2.975 1.00 0.00 H new ATOM 0 HA ARG A 102 -3.987 -2.801 -0.787 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -5.452 -0.439 -2.020 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -5.919 -1.330 -0.585 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -4.252 -0.364 0.735 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -3.222 -0.001 -0.635 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -5.333 1.542 -1.310 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -5.584 1.511 0.425 1.00 0.00 H new ATOM 0 HE ARG A 102 -2.828 2.149 -0.367 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -6.062 3.379 0.338 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -5.486 5.004 0.724 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -2.095 4.239 0.133 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -3.250 5.489 0.608 1.00 0.00 H new ATOM 1524 N PRO A 103 -5.621 -4.147 -2.098 1.00 0.00 N ATOM 1525 CA PRO A 103 -6.453 -5.056 -2.892 1.00 0.00 C ATOM 1526 C PRO A 103 -7.816 -4.456 -3.221 1.00 0.00 C ATOM 1527 O PRO A 103 -8.625 -4.201 -2.329 1.00 0.00 O ATOM 1528 CB PRO A 103 -6.613 -6.276 -1.982 1.00 0.00 C ATOM 1529 CG PRO A 103 -6.433 -5.746 -0.601 1.00 0.00 C ATOM 1530 CD PRO A 103 -5.440 -4.622 -0.716 1.00 0.00 C ATOM 0 HA PRO A 103 -6.001 -5.283 -3.858 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -7.594 -6.735 -2.105 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -5.872 -7.041 -2.212 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -7.379 -5.391 -0.193 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -6.067 -6.523 0.071 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -5.640 -3.833 0.009 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -4.421 -4.966 -0.540 1.00 0.00 H new ATOM 1538 N ARG A 104 -8.063 -4.232 -4.508 1.00 0.00 N ATOM 1539 CA ARG A 104 -9.328 -3.661 -4.955 1.00 0.00 C ATOM 1540 C ARG A 104 -10.222 -4.734 -5.569 1.00 0.00 C ATOM 1541 O ARG A 104 -10.437 -4.760 -6.781 1.00 0.00 O ATOM 1542 CB ARG A 104 -9.077 -2.547 -5.973 1.00 0.00 C ATOM 1543 CG ARG A 104 -10.251 -1.595 -6.135 1.00 0.00 C ATOM 1544 CD ARG A 104 -10.314 -1.024 -7.543 1.00 0.00 C ATOM 1545 NE ARG A 104 -11.126 0.189 -7.605 1.00 0.00 N ATOM 1546 CZ ARG A 104 -11.708 0.627 -8.716 1.00 0.00 C ATOM 1547 NH1 ARG A 104 -11.568 -0.044 -9.851 1.00 0.00 N ATOM 1548 NH2 ARG A 104 -12.432 1.739 -8.693 1.00 0.00 N ATOM 0 H ARG A 104 -7.404 -4.437 -5.259 1.00 0.00 H new ATOM 0 HA ARG A 104 -9.836 -3.243 -4.086 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -8.198 -1.979 -5.668 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -8.847 -2.995 -6.940 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -11.180 -2.120 -5.912 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -10.164 -0.782 -5.415 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -9.305 -0.803 -7.890 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -10.727 -1.772 -8.220 1.00 0.00 H new ATOM 0 HE ARG A 104 -11.253 0.729 -6.749 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -11.012 -0.899 -9.873 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -12.016 0.295 -10.702 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -12.542 2.258 -7.822 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -12.878 2.075 -9.546 1.00 0.00 H new ATOM 1562 N LYS A 105 -10.741 -5.619 -4.724 1.00 0.00 N ATOM 1563 CA LYS A 105 -11.613 -6.694 -5.181 1.00 0.00 C ATOM 1564 C LYS A 105 -12.468 -6.238 -6.359 1.00 0.00 C ATOM 1565 O LYS A 105 -13.043 -5.149 -6.336 1.00 0.00 O ATOM 1566 CB LYS A 105 -12.512 -7.171 -4.039 1.00 0.00 C ATOM 1567 CG LYS A 105 -11.869 -8.231 -3.161 1.00 0.00 C ATOM 1568 CD LYS A 105 -12.418 -8.190 -1.745 1.00 0.00 C ATOM 1569 CE LYS A 105 -11.603 -7.262 -0.857 1.00 0.00 C ATOM 1570 NZ LYS A 105 -12.136 -5.871 -0.872 1.00 0.00 N ATOM 0 H LYS A 105 -10.572 -5.612 -3.718 1.00 0.00 H new ATOM 0 HA LYS A 105 -10.985 -7.522 -5.510 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -12.785 -6.316 -3.421 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -13.436 -7.569 -4.457 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -12.044 -9.217 -3.592 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -10.790 -8.080 -3.138 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -13.456 -7.857 -1.766 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -12.414 -9.195 -1.323 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -11.606 -7.641 0.165 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -10.566 -7.257 -1.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -11.795 -5.360 -0.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -11.810 -5.383 -1.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -13.176 -5.897 -0.863 1.00 0.00 H new ATOM 1584 N VAL A 106 -12.549 -7.077 -7.387 1.00 0.00 N ATOM 1585 CA VAL A 106 -13.337 -6.760 -8.572 1.00 0.00 C ATOM 1586 C VAL A 106 -14.828 -6.749 -8.254 1.00 0.00 C ATOM 1587 O VAL A 106 -15.424 -7.794 -7.996 1.00 0.00 O ATOM 1588 CB VAL A 106 -13.072 -7.767 -9.707 1.00 0.00 C ATOM 1589 CG1 VAL A 106 -13.425 -9.178 -9.262 1.00 0.00 C ATOM 1590 CG2 VAL A 106 -13.854 -7.381 -10.954 1.00 0.00 C ATOM 0 H VAL A 106 -12.079 -7.981 -7.423 1.00 0.00 H new ATOM 0 HA VAL A 106 -13.032 -5.766 -8.899 1.00 0.00 H new ATOM 0 HB VAL A 106 -12.010 -7.744 -9.950 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -13.231 -9.876 -10.077 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -12.817 -9.450 -8.399 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -14.480 -9.221 -8.991 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -13.655 -8.103 -11.746 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -14.920 -7.375 -10.728 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -13.547 -6.388 -11.283 1.00 0.00 H new ATOM 1600 N GLN A 107 -15.423 -5.561 -8.276 1.00 0.00 N ATOM 1601 CA GLN A 107 -16.845 -5.415 -7.990 1.00 0.00 C ATOM 1602 C GLN A 107 -17.655 -5.342 -9.280 1.00 0.00 C ATOM 1603 O GLN A 107 -17.141 -4.950 -10.327 1.00 0.00 O ATOM 1604 CB GLN A 107 -17.091 -4.162 -7.147 1.00 0.00 C ATOM 1605 CG GLN A 107 -16.988 -2.868 -7.938 1.00 0.00 C ATOM 1606 CD GLN A 107 -15.561 -2.370 -8.060 1.00 0.00 C ATOM 1607 OE1 GLN A 107 -14.661 -2.857 -7.375 1.00 0.00 O ATOM 1608 NE2 GLN A 107 -15.347 -1.396 -8.936 1.00 0.00 N ATOM 0 H GLN A 107 -14.943 -4.686 -8.489 1.00 0.00 H new ATOM 0 HA GLN A 107 -17.169 -6.291 -7.429 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -18.082 -4.225 -6.697 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -16.371 -4.137 -6.329 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -17.401 -3.022 -8.935 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -17.596 -2.103 -7.456 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -16.123 -1.022 -9.483 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -14.407 -1.021 -9.063 1.00 0.00 H new ATOM 1617 N VAL A 108 -18.926 -5.722 -9.197 1.00 0.00 N ATOM 1618 CA VAL A 108 -19.808 -5.699 -10.358 1.00 0.00 C ATOM 1619 C VAL A 108 -20.303 -4.286 -10.644 1.00 0.00 C ATOM 1620 O VAL A 108 -20.291 -3.424 -9.766 1.00 0.00 O ATOM 1621 CB VAL A 108 -21.022 -6.626 -10.159 1.00 0.00 C ATOM 1622 CG1 VAL A 108 -20.570 -8.066 -9.968 1.00 0.00 C ATOM 1623 CG2 VAL A 108 -21.859 -6.161 -8.976 1.00 0.00 C ATOM 0 H VAL A 108 -19.368 -6.049 -8.338 1.00 0.00 H new ATOM 0 HA VAL A 108 -19.224 -6.055 -11.207 1.00 0.00 H new ATOM 0 HB VAL A 108 -21.642 -6.581 -11.055 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -21.442 -8.706 -9.829 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -20.016 -8.393 -10.848 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -19.928 -8.132 -9.090 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -22.712 -6.827 -8.850 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -21.251 -6.176 -8.072 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -22.214 -5.147 -9.158 1.00 0.00 H new ATOM 1633 N ALA A 109 -20.739 -4.056 -11.878 1.00 0.00 N ATOM 1634 CA ALA A 109 -21.241 -2.748 -12.280 1.00 0.00 C ATOM 1635 C ALA A 109 -22.763 -2.700 -12.214 1.00 0.00 C ATOM 1636 O ALA A 109 -23.458 -3.595 -12.697 1.00 0.00 O ATOM 1637 CB ALA A 109 -20.760 -2.406 -13.683 1.00 0.00 C ATOM 0 H ALA A 109 -20.755 -4.759 -12.617 1.00 0.00 H new ATOM 0 HA ALA A 109 -20.850 -2.007 -11.583 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -21.143 -1.427 -13.970 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -19.670 -2.389 -13.700 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -21.122 -3.157 -14.385 1.00 0.00 H new ATOM 1643 N PRO A 110 -23.297 -1.632 -11.602 1.00 0.00 N ATOM 1644 CA PRO A 110 -24.743 -1.443 -11.459 1.00 0.00 C ATOM 1645 C PRO A 110 -25.424 -1.143 -12.790 1.00 0.00 C ATOM 1646 O PRO A 110 -24.823 -0.546 -13.685 1.00 0.00 O ATOM 1647 CB PRO A 110 -24.852 -0.239 -10.519 1.00 0.00 C ATOM 1648 CG PRO A 110 -23.579 0.509 -10.714 1.00 0.00 C ATOM 1649 CD PRO A 110 -22.529 -0.528 -11.004 1.00 0.00 C ATOM 0 HA PRO A 110 -25.236 -2.340 -11.084 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -25.716 0.379 -10.765 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -24.971 -0.555 -9.483 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -23.665 1.218 -11.538 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -23.324 1.084 -9.824 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -21.769 -0.150 -11.688 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -22.013 -0.842 -10.097 1.00 0.00 H new ATOM 1657 N LEU A 111 -26.679 -1.558 -12.914 1.00 0.00 N ATOM 1658 CA LEU A 111 -27.442 -1.333 -14.137 1.00 0.00 C ATOM 1659 C LEU A 111 -28.078 0.054 -14.135 1.00 0.00 C ATOM 1660 O LEU A 111 -28.440 0.580 -13.082 1.00 0.00 O ATOM 1661 CB LEU A 111 -28.525 -2.402 -14.290 1.00 0.00 C ATOM 1662 CG LEU A 111 -28.115 -3.670 -15.041 1.00 0.00 C ATOM 1663 CD1 LEU A 111 -27.842 -3.359 -16.504 1.00 0.00 C ATOM 1664 CD2 LEU A 111 -26.893 -4.303 -14.391 1.00 0.00 C ATOM 0 H LEU A 111 -27.190 -2.052 -12.183 1.00 0.00 H new ATOM 0 HA LEU A 111 -26.755 -1.397 -14.981 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -28.869 -2.688 -13.296 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -29.376 -1.957 -14.806 1.00 0.00 H new ATOM 0 HG LEU A 111 -28.939 -4.382 -14.990 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -27.552 -4.273 -17.022 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -28.743 -2.952 -16.964 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -27.036 -2.629 -16.577 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -26.615 -5.204 -14.938 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -26.063 -3.596 -14.411 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -27.124 -4.563 -13.358 1.00 0.00 H new ATOM 1676 N SER A 112 -28.212 0.640 -15.320 1.00 0.00 N ATOM 1677 CA SER A 112 -28.803 1.966 -15.455 1.00 0.00 C ATOM 1678 C SER A 112 -30.199 1.880 -16.065 1.00 0.00 C ATOM 1679 O SER A 112 -30.526 0.919 -16.759 1.00 0.00 O ATOM 1680 CB SER A 112 -27.911 2.859 -16.319 1.00 0.00 C ATOM 1681 OG SER A 112 -27.713 2.293 -17.603 1.00 0.00 O ATOM 0 H SER A 112 -27.919 0.217 -16.201 1.00 0.00 H new ATOM 0 HA SER A 112 -28.887 2.402 -14.460 1.00 0.00 H new ATOM 0 HB2 SER A 112 -28.366 3.845 -16.419 1.00 0.00 H new ATOM 0 HB3 SER A 112 -26.948 3.000 -15.828 1.00 0.00 H new ATOM 0 HG SER A 112 -27.141 2.884 -18.136 1.00 0.00 H new ATOM 1687 N GLY A 113 -31.017 2.893 -15.799 1.00 0.00 N ATOM 1688 CA GLY A 113 -32.369 2.913 -16.328 1.00 0.00 C ATOM 1689 C GLY A 113 -32.729 4.250 -16.946 1.00 0.00 C ATOM 1690 O GLY A 113 -32.115 5.277 -16.658 1.00 0.00 O ATOM 0 H GLY A 113 -30.768 3.700 -15.227 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -32.474 2.129 -17.078 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -33.073 2.685 -15.528 1.00 0.00 H new ATOM 1694 N PRO A 114 -33.747 4.247 -17.819 1.00 0.00 N ATOM 1695 CA PRO A 114 -34.211 5.460 -18.499 1.00 0.00 C ATOM 1696 C PRO A 114 -34.902 6.430 -17.546 1.00 0.00 C ATOM 1697 O PRO A 114 -35.733 6.029 -16.731 1.00 0.00 O ATOM 1698 CB PRO A 114 -35.205 4.929 -19.535 1.00 0.00 C ATOM 1699 CG PRO A 114 -35.687 3.637 -18.970 1.00 0.00 C ATOM 1700 CD PRO A 114 -34.525 3.059 -18.210 1.00 0.00 C ATOM 0 HA PRO A 114 -33.386 6.025 -18.932 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -36.029 5.626 -19.687 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -34.727 4.784 -20.504 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -36.544 3.793 -18.314 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -36.011 2.961 -19.762 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -34.856 2.492 -17.340 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -33.938 2.380 -18.829 1.00 0.00 H new ATOM 1708 N SER A 115 -34.553 7.708 -17.654 1.00 0.00 N ATOM 1709 CA SER A 115 -35.138 8.735 -16.800 1.00 0.00 C ATOM 1710 C SER A 115 -35.305 10.046 -17.563 1.00 0.00 C ATOM 1711 O SER A 115 -34.455 10.420 -18.370 1.00 0.00 O ATOM 1712 CB SER A 115 -34.263 8.959 -15.565 1.00 0.00 C ATOM 1713 OG SER A 115 -32.997 9.485 -15.924 1.00 0.00 O ATOM 0 H SER A 115 -33.868 8.057 -18.324 1.00 0.00 H new ATOM 0 HA SER A 115 -36.123 8.392 -16.483 1.00 0.00 H new ATOM 0 HB2 SER A 115 -34.764 9.644 -14.880 1.00 0.00 H new ATOM 0 HB3 SER A 115 -34.131 8.017 -15.033 1.00 0.00 H new ATOM 0 HG SER A 115 -32.458 9.620 -15.117 1.00 0.00 H new ATOM 1719 N SER A 116 -36.409 10.739 -17.300 1.00 0.00 N ATOM 1720 CA SER A 116 -36.692 12.006 -17.964 1.00 0.00 C ATOM 1721 C SER A 116 -36.052 13.168 -17.211 1.00 0.00 C ATOM 1722 O SER A 116 -35.444 14.053 -17.812 1.00 0.00 O ATOM 1723 CB SER A 116 -38.202 12.223 -18.072 1.00 0.00 C ATOM 1724 OG SER A 116 -38.799 12.307 -16.790 1.00 0.00 O ATOM 0 H SER A 116 -37.121 10.444 -16.632 1.00 0.00 H new ATOM 0 HA SER A 116 -36.266 11.966 -18.966 1.00 0.00 H new ATOM 0 HB2 SER A 116 -38.402 13.138 -18.630 1.00 0.00 H new ATOM 0 HB3 SER A 116 -38.651 11.403 -18.632 1.00 0.00 H new ATOM 0 HG SER A 116 -39.764 12.447 -16.887 1.00 0.00 H new ATOM 1730 N GLY A 117 -36.194 13.159 -15.889 1.00 0.00 N ATOM 1731 CA GLY A 117 -35.625 14.216 -15.074 1.00 0.00 C ATOM 1732 C GLY A 117 -36.156 14.203 -13.654 1.00 0.00 C ATOM 1733 O GLY A 117 -37.260 14.680 -13.393 1.00 0.00 O ATOM 0 H GLY A 117 -36.693 12.438 -15.368 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -34.540 14.111 -15.054 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -35.844 15.181 -15.532 1.00 0.00 H new TER 1737 GLY A 117