USER MOD reduce.3.24.130724 H: found=0, std=0, add=915, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 919 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 78 SER OG : rot 180:sc= 0 USER MOD Set 1.2: B 705 MET CE :methyl -172:sc= -1.62 (180deg=-1.96) USER MOD Set 2.1: A 41 TYR OH : rot 163:sc= 0.343 USER MOD Set 2.2: A 67 TYR OH : rot -115:sc= 0.0741 USER MOD Set 3.1: A 62 GLN :FLIP amide:sc= 0 F(o=-0.66,f=0.76) USER MOD Set 3.2: A 63 GLN : amide:sc= 0.761 K(o=0.76,f=-9.1!) USER MOD Set 4.1: A 7 GLN : amide:sc= -0.379 X(o=-0.19,f=0.18) USER MOD Set 4.2: A 29 GLN : amide:sc= 0.187 K(o=-0.19,f=-2.9!) USER MOD Set 5.1: A 10 GLN :FLIP amide:sc= 0.431 F(o=-0.017,f=0.9) USER MOD Set 5.2: A 26 CYS SG : rot -168:sc= 0.464 USER MOD Single : A 2 SER OG : rot -25:sc= 0.0313 USER MOD Single : A 3 GLN : amide:sc= -0.149 K(o=-0.15,f=-1.2) USER MOD Single : A 6 LYS NZ :NH3+ 159:sc= 0.984 (180deg=0.697) USER MOD Single : A 8 LYS NZ :NH3+ 166:sc= 2.24 (180deg=2.02) USER MOD Single : A 12 ASN : amide:sc= -0.0328 X(o=-0.033,f=0.019) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -118:sc= 0.73 (180deg=0) USER MOD Single : A 17 GLN :FLIP amide:sc= 0 F(o=-1.4,f=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= -0.0101 X(o=-0.01,f=0) USER MOD Single : A 27 TYR OH : rot 56:sc= -0.0579 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 GLN :FLIP amide:sc= -0.567 F(o=-2.9!,f=-0.57) USER MOD Single : A 36 GLN :FLIP amide:sc= -0.0276 F(o=-0.63,f=-0.028) USER MOD Single : A 37 ASN : amide:sc= -0.487 K(o=-0.49,f=-4.2!) USER MOD Single : A 42 SER OG : rot 53:sc= -2.36 USER MOD Single : A 43 ASN : amide:sc= -0.131 K(o=-0.13,f=-8.2!) USER MOD Single : A 44 LYS NZ :NH3+ 169:sc= 1.28 (180deg=1.26) USER MOD Single : A 46 MET CE :methyl -147:sc= -1.01 (180deg=-2.88) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.846 USER MOD Single : A 56 GLN :FLIP amide:sc= -0.0671 F(o=-0.82,f=-0.067) USER MOD Single : A 59 GLN : amide:sc= -0.121 X(o=-0.12,f=-0.14) USER MOD Single : A 60 MET CE :methyl 156:sc= -0.377 (180deg=-1.96) USER MOD Single : A 61 CYS SG : rot 75:sc= -0.321 USER MOD Single : A 68 THR OG1 : rot 100:sc= -0.235 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc=-0.00565 USER MOD Single : A 73 HIS : no HE2:sc= -2.27! X(o=-2.3!,f=-2.7) USER MOD Single : A 79 LYS NZ :NH3+ -147:sc= 1.42 (180deg=-0.139!) USER MOD Single : A 81 GLN : amide:sc= -8.95! C(o=-8.9!,f=-8.6!) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 1.23 K(o=1.2,f=-0.024) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 TYR OH : rot 180:sc= 0.325 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : B 703 THR OG1 : rot 140:sc= -0.678 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 23.609 -5.595 -1.859 1.00 0.00 N ATOM 2 CA SER A 2 22.519 -6.567 -2.051 1.00 0.00 C ATOM 3 C SER A 2 22.602 -7.212 -3.434 1.00 0.00 C ATOM 4 O SER A 2 23.693 -7.331 -3.992 1.00 0.00 O ATOM 5 CB SER A 2 21.164 -5.899 -1.813 1.00 0.00 C ATOM 6 OG SER A 2 20.948 -4.895 -2.783 1.00 0.00 O ATOM 0 HA SER A 2 22.628 -7.366 -1.318 1.00 0.00 H new ATOM 0 HB2 SER A 2 20.368 -6.642 -1.862 1.00 0.00 H new ATOM 0 HB3 SER A 2 21.133 -5.465 -0.814 1.00 0.00 H new ATOM 0 HG SER A 2 21.811 -4.569 -3.115 1.00 0.00 H new ATOM 14 N GLN A 3 21.459 -7.626 -3.991 1.00 0.00 N ATOM 15 CA GLN A 3 21.373 -8.326 -5.265 1.00 0.00 C ATOM 16 C GLN A 3 20.236 -7.731 -6.098 1.00 0.00 C ATOM 17 O GLN A 3 19.355 -8.444 -6.573 1.00 0.00 O ATOM 18 CB GLN A 3 21.162 -9.825 -5.023 1.00 0.00 C ATOM 19 CG GLN A 3 22.338 -10.469 -4.281 1.00 0.00 C ATOM 20 CD GLN A 3 23.640 -10.404 -5.074 1.00 0.00 C ATOM 21 OE1 GLN A 3 23.639 -10.253 -6.293 1.00 0.00 O ATOM 22 NE2 GLN A 3 24.773 -10.519 -4.384 1.00 0.00 N ATOM 0 H GLN A 3 20.550 -7.477 -3.553 1.00 0.00 H new ATOM 0 HA GLN A 3 22.304 -8.203 -5.818 1.00 0.00 H new ATOM 0 HB2 GLN A 3 20.248 -9.972 -4.447 1.00 0.00 H new ATOM 0 HB3 GLN A 3 21.020 -10.328 -5.979 1.00 0.00 H new ATOM 0 HG2 GLN A 3 22.476 -9.969 -3.322 1.00 0.00 H new ATOM 0 HG3 GLN A 3 22.100 -11.511 -4.066 1.00 0.00 H new ATOM 0 HE21 GLN A 3 24.743 -10.644 -3.372 1.00 0.00 H new ATOM 0 HE22 GLN A 3 25.670 -10.483 -4.867 1.00 0.00 H new ATOM 31 N PHE A 4 20.263 -6.404 -6.266 1.00 0.00 N ATOM 32 CA PHE A 4 19.219 -5.655 -6.956 1.00 0.00 C ATOM 33 C PHE A 4 19.876 -4.427 -7.554 1.00 0.00 C ATOM 34 O PHE A 4 19.587 -4.018 -8.676 1.00 0.00 O ATOM 35 CB PHE A 4 18.176 -5.224 -5.921 1.00 0.00 C ATOM 36 CG PHE A 4 17.171 -4.188 -6.385 1.00 0.00 C ATOM 37 CD1 PHE A 4 17.494 -2.818 -6.384 1.00 0.00 C ATOM 38 CD2 PHE A 4 15.896 -4.595 -6.801 1.00 0.00 C ATOM 39 CE1 PHE A 4 16.531 -1.864 -6.736 1.00 0.00 C ATOM 40 CE2 PHE A 4 14.935 -3.641 -7.168 1.00 0.00 C ATOM 41 CZ PHE A 4 15.253 -2.276 -7.132 1.00 0.00 C ATOM 0 H PHE A 4 21.022 -5.817 -5.920 1.00 0.00 H new ATOM 0 HA PHE A 4 18.737 -6.250 -7.732 1.00 0.00 H new ATOM 0 HB2 PHE A 4 17.631 -6.109 -5.593 1.00 0.00 H new ATOM 0 HB3 PHE A 4 18.699 -4.830 -5.049 1.00 0.00 H new ATOM 0 HD1 PHE A 4 18.489 -2.501 -6.110 1.00 0.00 H new ATOM 0 HD2 PHE A 4 15.652 -5.646 -6.839 1.00 0.00 H new ATOM 0 HE1 PHE A 4 16.774 -0.812 -6.702 1.00 0.00 H new ATOM 0 HE2 PHE A 4 13.950 -3.958 -7.478 1.00 0.00 H new ATOM 0 HZ PHE A 4 14.511 -1.542 -7.410 1.00 0.00 H new ATOM 51 N GLU A 5 20.778 -3.854 -6.762 1.00 0.00 N ATOM 52 CA GLU A 5 21.606 -2.738 -7.132 1.00 0.00 C ATOM 53 C GLU A 5 22.291 -2.938 -8.471 1.00 0.00 C ATOM 54 O GLU A 5 22.243 -2.052 -9.312 1.00 0.00 O ATOM 55 CB GLU A 5 22.690 -2.636 -6.077 1.00 0.00 C ATOM 56 CG GLU A 5 22.097 -2.259 -4.721 1.00 0.00 C ATOM 57 CD GLU A 5 23.169 -2.297 -3.636 1.00 0.00 C ATOM 58 OE1 GLU A 5 23.850 -3.344 -3.534 1.00 0.00 O ATOM 59 OE2 GLU A 5 23.302 -1.284 -2.915 1.00 0.00 O ATOM 0 H GLU A 5 20.950 -4.176 -5.810 1.00 0.00 H new ATOM 0 HA GLU A 5 20.981 -1.848 -7.207 1.00 0.00 H new ATOM 0 HB2 GLU A 5 23.216 -3.588 -5.997 1.00 0.00 H new ATOM 0 HB3 GLU A 5 23.426 -1.890 -6.377 1.00 0.00 H new ATOM 0 HG2 GLU A 5 21.661 -1.262 -4.774 1.00 0.00 H new ATOM 0 HG3 GLU A 5 21.290 -2.947 -4.467 1.00 0.00 H new ATOM 66 N LYS A 6 22.934 -4.081 -8.711 1.00 0.00 N ATOM 67 CA LYS A 6 23.715 -4.186 -9.920 1.00 0.00 C ATOM 68 C LYS A 6 22.810 -4.232 -11.137 1.00 0.00 C ATOM 69 O LYS A 6 23.103 -3.600 -12.145 1.00 0.00 O ATOM 70 CB LYS A 6 24.583 -5.431 -9.866 1.00 0.00 C ATOM 71 CG LYS A 6 25.958 -5.108 -9.282 1.00 0.00 C ATOM 72 CD LYS A 6 25.926 -4.759 -7.790 1.00 0.00 C ATOM 73 CE LYS A 6 25.405 -5.934 -6.961 1.00 0.00 C ATOM 74 NZ LYS A 6 25.474 -5.642 -5.517 1.00 0.00 N ATOM 0 H LYS A 6 22.927 -4.905 -8.110 1.00 0.00 H new ATOM 0 HA LYS A 6 24.355 -3.307 -10.001 1.00 0.00 H new ATOM 0 HB2 LYS A 6 24.095 -6.194 -9.259 1.00 0.00 H new ATOM 0 HB3 LYS A 6 24.696 -5.845 -10.868 1.00 0.00 H new ATOM 0 HG2 LYS A 6 26.617 -5.963 -9.432 1.00 0.00 H new ATOM 0 HG3 LYS A 6 26.390 -4.272 -9.833 1.00 0.00 H new ATOM 0 HD2 LYS A 6 26.927 -4.489 -7.455 1.00 0.00 H new ATOM 0 HD3 LYS A 6 25.291 -3.888 -7.631 1.00 0.00 H new ATOM 0 HE2 LYS A 6 24.374 -6.151 -7.242 1.00 0.00 H new ATOM 0 HE3 LYS A 6 25.991 -6.826 -7.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 24.815 -6.263 -5.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 26.442 -5.808 -5.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 25.214 -4.649 -5.351 1.00 0.00 H new ATOM 88 N GLN A 7 21.704 -4.971 -11.055 1.00 0.00 N ATOM 89 CA GLN A 7 20.739 -5.040 -12.132 1.00 0.00 C ATOM 90 C GLN A 7 20.066 -3.686 -12.353 1.00 0.00 C ATOM 91 O GLN A 7 19.318 -3.516 -13.316 1.00 0.00 O ATOM 92 CB GLN A 7 19.729 -6.119 -11.779 1.00 0.00 C ATOM 93 CG GLN A 7 20.519 -7.386 -11.444 1.00 0.00 C ATOM 94 CD GLN A 7 19.622 -8.601 -11.478 1.00 0.00 C ATOM 95 OE1 GLN A 7 19.364 -9.234 -10.458 1.00 0.00 O ATOM 96 NE2 GLN A 7 19.140 -8.933 -12.667 1.00 0.00 N ATOM 0 H GLN A 7 21.460 -5.534 -10.240 1.00 0.00 H new ATOM 0 HA GLN A 7 21.234 -5.292 -13.070 1.00 0.00 H new ATOM 0 HB2 GLN A 7 19.118 -5.811 -10.931 1.00 0.00 H new ATOM 0 HB3 GLN A 7 19.050 -6.298 -12.613 1.00 0.00 H new ATOM 0 HG2 GLN A 7 21.335 -7.510 -12.156 1.00 0.00 H new ATOM 0 HG3 GLN A 7 20.970 -7.289 -10.456 1.00 0.00 H new ATOM 0 HE21 GLN A 7 19.381 -8.378 -13.488 1.00 0.00 H new ATOM 0 HE22 GLN A 7 18.528 -9.744 -12.761 1.00 0.00 H new ATOM 105 N LYS A 8 20.327 -2.715 -11.469 1.00 0.00 N ATOM 106 CA LYS A 8 19.764 -1.385 -11.560 1.00 0.00 C ATOM 107 C LYS A 8 20.815 -0.424 -12.088 1.00 0.00 C ATOM 108 O LYS A 8 20.531 0.374 -12.975 1.00 0.00 O ATOM 109 CB LYS A 8 19.342 -1.015 -10.144 1.00 0.00 C ATOM 110 CG LYS A 8 18.762 0.388 -10.057 1.00 0.00 C ATOM 111 CD LYS A 8 18.233 0.531 -8.636 1.00 0.00 C ATOM 112 CE LYS A 8 19.350 0.483 -7.598 1.00 0.00 C ATOM 113 NZ LYS A 8 20.162 1.717 -7.603 1.00 0.00 N ATOM 0 H LYS A 8 20.943 -2.844 -10.666 1.00 0.00 H new ATOM 0 HA LYS A 8 18.914 -1.339 -12.241 1.00 0.00 H new ATOM 0 HB2 LYS A 8 18.602 -1.733 -9.789 1.00 0.00 H new ATOM 0 HB3 LYS A 8 20.203 -1.090 -9.480 1.00 0.00 H new ATOM 0 HG2 LYS A 8 19.523 1.139 -10.268 1.00 0.00 H new ATOM 0 HG3 LYS A 8 17.965 0.527 -10.787 1.00 0.00 H new ATOM 0 HD2 LYS A 8 17.694 1.474 -8.544 1.00 0.00 H new ATOM 0 HD3 LYS A 8 17.517 -0.266 -8.434 1.00 0.00 H new ATOM 0 HE2 LYS A 8 18.919 0.336 -6.608 1.00 0.00 H new ATOM 0 HE3 LYS A 8 19.993 -0.375 -7.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 20.748 1.751 -6.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 20.777 1.725 -8.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 19.534 2.546 -7.626 1.00 0.00 H new ATOM 127 N GLU A 9 22.023 -0.515 -11.536 1.00 0.00 N ATOM 128 CA GLU A 9 23.148 0.356 -11.830 1.00 0.00 C ATOM 129 C GLU A 9 23.834 -0.016 -13.134 1.00 0.00 C ATOM 130 O GLU A 9 24.405 0.841 -13.807 1.00 0.00 O ATOM 131 CB GLU A 9 24.147 0.234 -10.686 1.00 0.00 C ATOM 132 CG GLU A 9 23.449 0.629 -9.391 1.00 0.00 C ATOM 133 CD GLU A 9 23.307 2.138 -9.253 1.00 0.00 C ATOM 134 OE1 GLU A 9 24.348 2.813 -9.085 1.00 0.00 O ATOM 135 OE2 GLU A 9 22.148 2.601 -9.318 1.00 0.00 O ATOM 0 H GLU A 9 22.249 -1.229 -10.843 1.00 0.00 H new ATOM 0 HA GLU A 9 22.781 1.377 -11.935 1.00 0.00 H new ATOM 0 HB2 GLU A 9 24.522 -0.787 -10.618 1.00 0.00 H new ATOM 0 HB3 GLU A 9 25.008 0.879 -10.864 1.00 0.00 H new ATOM 0 HG2 GLU A 9 22.462 0.168 -9.357 1.00 0.00 H new ATOM 0 HG3 GLU A 9 24.012 0.239 -8.543 1.00 0.00 H new ATOM 142 N GLN A 10 23.787 -1.295 -13.505 1.00 0.00 N ATOM 143 CA GLN A 10 24.360 -1.718 -14.774 1.00 0.00 C ATOM 144 C GLN A 10 23.590 -1.119 -15.946 1.00 0.00 C ATOM 145 O GLN A 10 24.175 -0.838 -16.986 1.00 0.00 O ATOM 146 CB GLN A 10 24.321 -3.243 -14.877 1.00 0.00 C ATOM 147 CG GLN A 10 25.286 -3.747 -15.949 1.00 0.00 C ATOM 148 CD GLN A 10 24.689 -4.934 -16.689 1.00 0.00 C ATOM 149 OE1 GLN A 10 23.772 -4.657 -17.611 1.00 0.00 O flip ATOM 150 NE2 GLN A 10 25.048 -6.081 -16.440 1.00 0.00 N flip ATOM 0 H GLN A 10 23.365 -2.042 -12.953 1.00 0.00 H new ATOM 0 HA GLN A 10 25.391 -1.368 -14.814 1.00 0.00 H new ATOM 0 HB2 GLN A 10 24.581 -3.682 -13.914 1.00 0.00 H new ATOM 0 HB3 GLN A 10 23.308 -3.569 -15.113 1.00 0.00 H new ATOM 0 HG2 GLN A 10 25.507 -2.945 -16.654 1.00 0.00 H new ATOM 0 HG3 GLN A 10 26.231 -4.036 -15.489 1.00 0.00 H new ATOM 0 HE21 GLN A 10 25.755 -6.250 -15.724 1.00 0.00 H new ATOM 0 HE22 GLN A 10 24.639 -6.865 -16.949 1.00 0.00 H new ATOM 159 N GLY A 11 22.282 -0.922 -15.773 1.00 0.00 N ATOM 160 CA GLY A 11 21.439 -0.296 -16.782 1.00 0.00 C ATOM 161 C GLY A 11 21.284 1.201 -16.513 1.00 0.00 C ATOM 162 O GLY A 11 20.864 1.949 -17.391 1.00 0.00 O ATOM 0 H GLY A 11 21.781 -1.194 -14.927 1.00 0.00 H new ATOM 0 HA2 GLY A 11 21.873 -0.449 -17.770 1.00 0.00 H new ATOM 0 HA3 GLY A 11 20.458 -0.772 -16.788 1.00 0.00 H new ATOM 166 N ASN A 12 21.626 1.644 -15.295 1.00 0.00 N ATOM 167 CA ASN A 12 21.580 3.040 -14.900 1.00 0.00 C ATOM 168 C ASN A 12 22.470 3.863 -15.814 1.00 0.00 C ATOM 169 O ASN A 12 22.172 5.026 -16.051 1.00 0.00 O ATOM 170 CB ASN A 12 22.064 3.090 -13.452 1.00 0.00 C ATOM 171 CG ASN A 12 22.078 4.428 -12.742 1.00 0.00 C ATOM 172 OD1 ASN A 12 21.924 5.495 -13.328 1.00 0.00 O ATOM 173 ND2 ASN A 12 22.272 4.338 -11.431 1.00 0.00 N ATOM 0 H ASN A 12 21.946 1.024 -14.551 1.00 0.00 H new ATOM 0 HA ASN A 12 20.576 3.456 -14.979 1.00 0.00 H new ATOM 0 HB2 ASN A 12 21.440 2.412 -12.870 1.00 0.00 H new ATOM 0 HB3 ASN A 12 23.078 2.690 -13.427 1.00 0.00 H new ATOM 0 HD21 ASN A 12 22.299 5.183 -10.860 1.00 0.00 H new ATOM 0 HD22 ASN A 12 22.394 3.424 -10.995 1.00 0.00 H new ATOM 180 N SER A 13 23.555 3.274 -16.332 1.00 0.00 N ATOM 181 CA SER A 13 24.408 3.992 -17.262 1.00 0.00 C ATOM 182 C SER A 13 23.911 3.839 -18.698 1.00 0.00 C ATOM 183 O SER A 13 23.962 4.799 -19.462 1.00 0.00 O ATOM 184 CB SER A 13 25.843 3.496 -17.129 1.00 0.00 C ATOM 185 OG SER A 13 25.920 2.123 -17.457 1.00 0.00 O ATOM 0 H SER A 13 23.852 2.321 -16.123 1.00 0.00 H new ATOM 0 HA SER A 13 24.375 5.054 -17.017 1.00 0.00 H new ATOM 0 HB2 SER A 13 26.496 4.071 -17.786 1.00 0.00 H new ATOM 0 HB3 SER A 13 26.197 3.654 -16.110 1.00 0.00 H new ATOM 0 HG SER A 13 26.847 1.817 -17.369 1.00 0.00 H new ATOM 191 N LEU A 14 23.429 2.647 -19.074 1.00 0.00 N ATOM 192 CA LEU A 14 22.891 2.386 -20.400 1.00 0.00 C ATOM 193 C LEU A 14 21.755 3.346 -20.752 1.00 0.00 C ATOM 194 O LEU A 14 21.675 3.828 -21.881 1.00 0.00 O ATOM 195 CB LEU A 14 22.404 0.952 -20.418 1.00 0.00 C ATOM 196 CG LEU A 14 23.572 -0.002 -20.174 1.00 0.00 C ATOM 197 CD1 LEU A 14 23.222 -1.247 -20.945 1.00 0.00 C ATOM 198 CD2 LEU A 14 24.937 0.442 -20.695 1.00 0.00 C ATOM 0 H LEU A 14 23.405 1.836 -18.456 1.00 0.00 H new ATOM 0 HA LEU A 14 23.668 2.542 -21.148 1.00 0.00 H new ATOM 0 HB2 LEU A 14 21.641 0.809 -19.652 1.00 0.00 H new ATOM 0 HB3 LEU A 14 21.937 0.730 -21.378 1.00 0.00 H new ATOM 0 HG LEU A 14 23.682 -0.096 -19.094 1.00 0.00 H new ATOM 0 HD11 LEU A 14 24.014 -1.986 -20.822 1.00 0.00 H new ATOM 0 HD12 LEU A 14 22.283 -1.655 -20.570 1.00 0.00 H new ATOM 0 HD13 LEU A 14 23.115 -1.003 -22.002 1.00 0.00 H new ATOM 0 HD21 LEU A 14 25.681 -0.319 -20.460 1.00 0.00 H new ATOM 0 HD22 LEU A 14 24.887 0.580 -21.775 1.00 0.00 H new ATOM 0 HD23 LEU A 14 25.219 1.383 -20.222 1.00 0.00 H new ATOM 210 N PHE A 15 20.880 3.624 -19.786 1.00 0.00 N ATOM 211 CA PHE A 15 19.747 4.513 -19.984 1.00 0.00 C ATOM 212 C PHE A 15 20.209 5.899 -20.401 1.00 0.00 C ATOM 213 O PHE A 15 19.478 6.620 -21.074 1.00 0.00 O ATOM 214 CB PHE A 15 18.982 4.588 -18.670 1.00 0.00 C ATOM 215 CG PHE A 15 18.129 5.822 -18.501 1.00 0.00 C ATOM 216 CD1 PHE A 15 16.940 5.957 -19.230 1.00 0.00 C ATOM 217 CD2 PHE A 15 18.527 6.829 -17.611 1.00 0.00 C ATOM 218 CE1 PHE A 15 16.141 7.096 -19.053 1.00 0.00 C ATOM 219 CE2 PHE A 15 17.696 7.930 -17.388 1.00 0.00 C ATOM 220 CZ PHE A 15 16.513 8.077 -18.122 1.00 0.00 C ATOM 0 H PHE A 15 20.941 3.236 -18.845 1.00 0.00 H new ATOM 0 HA PHE A 15 19.109 4.129 -20.780 1.00 0.00 H new ATOM 0 HB2 PHE A 15 18.343 3.709 -18.587 1.00 0.00 H new ATOM 0 HB3 PHE A 15 19.696 4.542 -17.848 1.00 0.00 H new ATOM 0 HD1 PHE A 15 16.640 5.187 -19.925 1.00 0.00 H new ATOM 0 HD2 PHE A 15 19.475 6.754 -17.098 1.00 0.00 H new ATOM 0 HE1 PHE A 15 15.239 7.218 -19.634 1.00 0.00 H new ATOM 0 HE2 PHE A 15 17.967 8.669 -16.648 1.00 0.00 H new ATOM 0 HZ PHE A 15 15.888 8.945 -17.972 1.00 0.00 H new ATOM 230 N LYS A 16 21.424 6.275 -20.004 1.00 0.00 N ATOM 231 CA LYS A 16 21.931 7.610 -20.258 1.00 0.00 C ATOM 232 C LYS A 16 22.721 7.685 -21.570 1.00 0.00 C ATOM 233 O LYS A 16 23.169 8.766 -21.951 1.00 0.00 O ATOM 234 CB LYS A 16 22.832 8.025 -19.096 1.00 0.00 C ATOM 235 CG LYS A 16 22.320 7.471 -17.774 1.00 0.00 C ATOM 236 CD LYS A 16 23.235 7.876 -16.624 1.00 0.00 C ATOM 237 CE LYS A 16 23.005 9.342 -16.263 1.00 0.00 C ATOM 238 NZ LYS A 16 23.837 9.745 -15.112 1.00 0.00 N ATOM 0 H LYS A 16 22.072 5.667 -19.504 1.00 0.00 H new ATOM 0 HA LYS A 16 21.080 8.286 -20.348 1.00 0.00 H new ATOM 0 HB2 LYS A 16 23.846 7.668 -19.274 1.00 0.00 H new ATOM 0 HB3 LYS A 16 22.882 9.113 -19.042 1.00 0.00 H new ATOM 0 HG2 LYS A 16 21.311 7.838 -17.588 1.00 0.00 H new ATOM 0 HG3 LYS A 16 22.259 6.384 -17.830 1.00 0.00 H new ATOM 0 HD2 LYS A 16 23.043 7.245 -15.756 1.00 0.00 H new ATOM 0 HD3 LYS A 16 24.277 7.722 -16.906 1.00 0.00 H new ATOM 0 HE2 LYS A 16 23.238 9.972 -17.122 1.00 0.00 H new ATOM 0 HE3 LYS A 16 21.953 9.501 -16.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 23.223 10.032 -14.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 24.430 8.944 -14.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 24.445 10.543 -15.386 1.00 0.00 H new ATOM 252 N GLN A 17 22.902 6.553 -22.262 1.00 0.00 N ATOM 253 CA GLN A 17 23.750 6.467 -23.442 1.00 0.00 C ATOM 254 C GLN A 17 22.960 6.497 -24.742 1.00 0.00 C ATOM 255 O GLN A 17 23.512 6.845 -25.784 1.00 0.00 O ATOM 256 CB GLN A 17 24.523 5.146 -23.393 1.00 0.00 C ATOM 257 CG GLN A 17 25.638 5.223 -22.358 1.00 0.00 C ATOM 258 CD GLN A 17 26.598 4.045 -22.488 1.00 0.00 C ATOM 259 OE1 GLN A 17 26.078 2.827 -22.376 1.00 0.00 O flip ATOM 260 NE2 GLN A 17 27.797 4.223 -22.684 1.00 0.00 N flip ATOM 0 H GLN A 17 22.458 5.669 -22.012 1.00 0.00 H new ATOM 0 HA GLN A 17 24.410 7.334 -23.429 1.00 0.00 H new ATOM 0 HB2 GLN A 17 23.845 4.329 -23.147 1.00 0.00 H new ATOM 0 HB3 GLN A 17 24.943 4.926 -24.374 1.00 0.00 H new ATOM 0 HG2 GLN A 17 26.187 6.157 -22.480 1.00 0.00 H new ATOM 0 HG3 GLN A 17 25.207 5.235 -21.357 1.00 0.00 H new ATOM 0 HE21 GLN A 17 28.165 5.171 -22.765 1.00 0.00 H new ATOM 0 HE22 GLN A 17 28.425 3.423 -22.766 1.00 0.00 H new ATOM 269 N GLY A 18 21.678 6.135 -24.693 1.00 0.00 N ATOM 270 CA GLY A 18 20.886 6.058 -25.913 1.00 0.00 C ATOM 271 C GLY A 18 20.022 4.824 -25.987 1.00 0.00 C ATOM 272 O GLY A 18 18.988 4.808 -26.654 1.00 0.00 O ATOM 0 H GLY A 18 21.176 5.895 -23.838 1.00 0.00 H new ATOM 0 HA2 GLY A 18 20.252 6.942 -25.982 1.00 0.00 H new ATOM 0 HA3 GLY A 18 21.555 6.077 -26.774 1.00 0.00 H new ATOM 276 N LEU A 19 20.468 3.788 -25.290 1.00 0.00 N ATOM 277 CA LEU A 19 19.921 2.464 -25.429 1.00 0.00 C ATOM 278 C LEU A 19 19.031 2.147 -24.247 1.00 0.00 C ATOM 279 O LEU A 19 19.260 1.234 -23.457 1.00 0.00 O ATOM 280 CB LEU A 19 21.030 1.469 -25.734 1.00 0.00 C ATOM 281 CG LEU A 19 22.429 1.786 -25.194 1.00 0.00 C ATOM 282 CD1 LEU A 19 22.483 1.416 -23.720 1.00 0.00 C ATOM 283 CD2 LEU A 19 23.467 0.942 -25.929 1.00 0.00 C ATOM 0 H LEU A 19 21.225 3.853 -24.610 1.00 0.00 H new ATOM 0 HA LEU A 19 19.258 2.393 -26.291 1.00 0.00 H new ATOM 0 HB2 LEU A 19 20.729 0.498 -25.341 1.00 0.00 H new ATOM 0 HB3 LEU A 19 21.102 1.366 -26.817 1.00 0.00 H new ATOM 0 HG LEU A 19 22.637 2.846 -25.337 1.00 0.00 H new ATOM 0 HD11 LEU A 19 23.475 1.638 -23.325 1.00 0.00 H new ATOM 0 HD12 LEU A 19 21.737 1.993 -23.173 1.00 0.00 H new ATOM 0 HD13 LEU A 19 22.276 0.352 -23.604 1.00 0.00 H new ATOM 0 HD21 LEU A 19 24.461 1.170 -25.543 1.00 0.00 H new ATOM 0 HD22 LEU A 19 23.251 -0.115 -25.775 1.00 0.00 H new ATOM 0 HD23 LEU A 19 23.431 1.168 -26.995 1.00 0.00 H new ATOM 295 N TYR A 20 17.990 2.967 -24.176 1.00 0.00 N ATOM 296 CA TYR A 20 16.966 2.951 -23.158 1.00 0.00 C ATOM 297 C TYR A 20 16.428 1.548 -22.943 1.00 0.00 C ATOM 298 O TYR A 20 16.204 1.161 -21.804 1.00 0.00 O ATOM 299 CB TYR A 20 15.865 3.884 -23.655 1.00 0.00 C ATOM 300 CG TYR A 20 16.432 5.213 -24.094 1.00 0.00 C ATOM 301 CD1 TYR A 20 17.224 5.959 -23.206 1.00 0.00 C ATOM 302 CD2 TYR A 20 16.188 5.693 -25.390 1.00 0.00 C ATOM 303 CE1 TYR A 20 17.783 7.178 -23.618 1.00 0.00 C ATOM 304 CE2 TYR A 20 16.743 6.911 -25.805 1.00 0.00 C ATOM 305 CZ TYR A 20 17.542 7.661 -24.921 1.00 0.00 C ATOM 306 OH TYR A 20 18.081 8.847 -25.324 1.00 0.00 O ATOM 0 H TYR A 20 17.836 3.699 -24.869 1.00 0.00 H new ATOM 0 HA TYR A 20 17.363 3.278 -22.197 1.00 0.00 H new ATOM 0 HB2 TYR A 20 15.338 3.418 -24.487 1.00 0.00 H new ATOM 0 HB3 TYR A 20 15.133 4.042 -22.863 1.00 0.00 H new ATOM 0 HD1 TYR A 20 17.403 5.594 -22.205 1.00 0.00 H new ATOM 0 HD2 TYR A 20 15.571 5.123 -26.069 1.00 0.00 H new ATOM 0 HE1 TYR A 20 18.398 7.747 -22.937 1.00 0.00 H new ATOM 0 HE2 TYR A 20 16.558 7.275 -26.805 1.00 0.00 H new ATOM 0 HH TYR A 20 17.816 9.029 -26.250 1.00 0.00 H new ATOM 316 N ARG A 21 16.226 0.781 -24.018 1.00 0.00 N ATOM 317 CA ARG A 21 15.629 -0.543 -23.915 1.00 0.00 C ATOM 318 C ARG A 21 16.635 -1.497 -23.298 1.00 0.00 C ATOM 319 O ARG A 21 16.270 -2.294 -22.443 1.00 0.00 O ATOM 320 CB ARG A 21 15.277 -1.008 -25.328 1.00 0.00 C ATOM 321 CG ARG A 21 14.040 -1.897 -25.371 1.00 0.00 C ATOM 322 CD ARG A 21 14.023 -2.992 -24.300 1.00 0.00 C ATOM 323 NE ARG A 21 12.862 -3.875 -24.469 1.00 0.00 N ATOM 324 CZ ARG A 21 12.807 -4.897 -25.328 1.00 0.00 C ATOM 325 NH1 ARG A 21 13.839 -5.190 -26.115 1.00 0.00 N ATOM 326 NH2 ARG A 21 11.706 -5.641 -25.404 1.00 0.00 N ATOM 0 H ARG A 21 16.469 1.059 -24.969 1.00 0.00 H new ATOM 0 HA ARG A 21 14.736 -0.518 -23.291 1.00 0.00 H new ATOM 0 HB2 ARG A 21 15.113 -0.136 -25.961 1.00 0.00 H new ATOM 0 HB3 ARG A 21 16.123 -1.552 -25.747 1.00 0.00 H new ATOM 0 HG2 ARG A 21 13.153 -1.274 -25.254 1.00 0.00 H new ATOM 0 HG3 ARG A 21 13.974 -2.363 -26.354 1.00 0.00 H new ATOM 0 HD2 ARG A 21 14.941 -3.577 -24.358 1.00 0.00 H new ATOM 0 HD3 ARG A 21 13.997 -2.537 -23.310 1.00 0.00 H new ATOM 0 HE ARG A 21 12.041 -3.696 -23.891 1.00 0.00 H new ATOM 0 HH11 ARG A 21 14.691 -4.631 -26.069 1.00 0.00 H new ATOM 0 HH12 ARG A 21 13.779 -5.974 -26.765 1.00 0.00 H new ATOM 0 HH21 ARG A 21 10.906 -5.431 -24.807 1.00 0.00 H new ATOM 0 HH22 ARG A 21 11.662 -6.422 -26.059 1.00 0.00 H new ATOM 340 N GLU A 22 17.895 -1.415 -23.725 1.00 0.00 N ATOM 341 CA GLU A 22 18.943 -2.265 -23.170 1.00 0.00 C ATOM 342 C GLU A 22 19.089 -1.988 -21.678 1.00 0.00 C ATOM 343 O GLU A 22 19.475 -2.860 -20.903 1.00 0.00 O ATOM 344 CB GLU A 22 20.257 -1.976 -23.872 1.00 0.00 C ATOM 345 CG GLU A 22 20.094 -2.225 -25.366 1.00 0.00 C ATOM 346 CD GLU A 22 19.820 -3.696 -25.667 1.00 0.00 C ATOM 347 OE1 GLU A 22 20.790 -4.485 -25.625 1.00 0.00 O ATOM 348 OE2 GLU A 22 18.642 -4.022 -25.936 1.00 0.00 O ATOM 0 H GLU A 22 18.212 -0.771 -24.450 1.00 0.00 H new ATOM 0 HA GLU A 22 18.676 -3.311 -23.319 1.00 0.00 H new ATOM 0 HB2 GLU A 22 20.558 -0.944 -23.694 1.00 0.00 H new ATOM 0 HB3 GLU A 22 21.045 -2.612 -23.469 1.00 0.00 H new ATOM 0 HG2 GLU A 22 19.275 -1.617 -25.749 1.00 0.00 H new ATOM 0 HG3 GLU A 22 20.997 -1.909 -25.888 1.00 0.00 H new ATOM 355 N ALA A 23 18.771 -0.752 -21.288 1.00 0.00 N ATOM 356 CA ALA A 23 18.780 -0.334 -19.903 1.00 0.00 C ATOM 357 C ALA A 23 17.616 -0.969 -19.136 1.00 0.00 C ATOM 358 O ALA A 23 17.785 -1.370 -17.987 1.00 0.00 O ATOM 359 CB ALA A 23 18.698 1.191 -19.858 1.00 0.00 C ATOM 0 H ALA A 23 18.499 -0.014 -21.938 1.00 0.00 H new ATOM 0 HA ALA A 23 19.701 -0.665 -19.423 1.00 0.00 H new ATOM 0 HB1 ALA A 23 18.704 1.525 -18.821 1.00 0.00 H new ATOM 0 HB2 ALA A 23 19.554 1.617 -20.381 1.00 0.00 H new ATOM 0 HB3 ALA A 23 17.778 1.520 -20.340 1.00 0.00 H new ATOM 365 N VAL A 24 16.432 -1.069 -19.758 1.00 0.00 N ATOM 366 CA VAL A 24 15.251 -1.607 -19.132 1.00 0.00 C ATOM 367 C VAL A 24 15.364 -3.108 -19.028 1.00 0.00 C ATOM 368 O VAL A 24 14.793 -3.759 -18.160 1.00 0.00 O ATOM 369 CB VAL A 24 13.988 -1.270 -19.917 1.00 0.00 C ATOM 370 CG1 VAL A 24 13.952 0.098 -20.568 1.00 0.00 C ATOM 371 CG2 VAL A 24 13.428 -2.368 -20.795 1.00 0.00 C ATOM 0 H VAL A 24 16.283 -0.770 -20.722 1.00 0.00 H new ATOM 0 HA VAL A 24 15.177 -1.157 -18.142 1.00 0.00 H new ATOM 0 HB VAL A 24 13.270 -1.198 -19.100 1.00 0.00 H new ATOM 0 HG11 VAL A 24 13.007 0.224 -21.097 1.00 0.00 H new ATOM 0 HG12 VAL A 24 14.045 0.868 -19.802 1.00 0.00 H new ATOM 0 HG13 VAL A 24 14.778 0.187 -21.274 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.532 -2.008 -21.301 1.00 0.00 H new ATOM 0 HG22 VAL A 24 14.173 -2.656 -21.537 1.00 0.00 H new ATOM 0 HG23 VAL A 24 13.176 -3.232 -20.180 1.00 0.00 H new ATOM 381 N HIS A 25 16.133 -3.633 -19.967 1.00 0.00 N ATOM 382 CA HIS A 25 16.414 -5.037 -20.113 1.00 0.00 C ATOM 383 C HIS A 25 17.144 -5.607 -18.895 1.00 0.00 C ATOM 384 O HIS A 25 17.360 -6.814 -18.810 1.00 0.00 O ATOM 385 CB HIS A 25 17.226 -5.207 -21.384 1.00 0.00 C ATOM 386 CG HIS A 25 16.750 -6.333 -22.256 1.00 0.00 C ATOM 387 ND1 HIS A 25 16.475 -7.642 -21.864 1.00 0.00 N ATOM 388 CD2 HIS A 25 16.490 -6.191 -23.585 1.00 0.00 C ATOM 389 CE1 HIS A 25 16.035 -8.251 -22.980 1.00 0.00 C ATOM 390 NE2 HIS A 25 16.044 -7.409 -24.028 1.00 0.00 N ATOM 0 H HIS A 25 16.594 -3.061 -20.675 1.00 0.00 H new ATOM 0 HA HIS A 25 15.482 -5.597 -20.182 1.00 0.00 H new ATOM 0 HB2 HIS A 25 17.192 -4.278 -21.954 1.00 0.00 H new ATOM 0 HB3 HIS A 25 18.269 -5.380 -21.118 1.00 0.00 H new ATOM 0 HD2 HIS A 25 16.611 -5.294 -24.175 1.00 0.00 H new ATOM 0 HE1 HIS A 25 15.716 -9.282 -23.028 1.00 0.00 H new ATOM 0 HE2 HIS A 25 15.768 -7.636 -24.983 1.00 0.00 H new ATOM 398 N CYS A 26 17.520 -4.736 -17.950 1.00 0.00 N ATOM 399 CA CYS A 26 18.109 -5.128 -16.677 1.00 0.00 C ATOM 400 C CYS A 26 17.239 -4.590 -15.541 1.00 0.00 C ATOM 401 O CYS A 26 17.149 -5.192 -14.473 1.00 0.00 O ATOM 402 CB CYS A 26 19.533 -4.581 -16.588 1.00 0.00 C ATOM 403 SG CYS A 26 20.520 -5.257 -17.949 1.00 0.00 S ATOM 0 H CYS A 26 17.419 -3.727 -18.056 1.00 0.00 H new ATOM 0 HA CYS A 26 18.155 -6.214 -16.596 1.00 0.00 H new ATOM 0 HB2 CYS A 26 19.520 -3.492 -16.638 1.00 0.00 H new ATOM 0 HB3 CYS A 26 19.979 -4.851 -15.631 1.00 0.00 H new ATOM 0 HG CYS A 26 21.778 -5.002 -17.741 1.00 0.00 H new ATOM 409 N TYR A 27 16.590 -3.450 -15.794 1.00 0.00 N ATOM 410 CA TYR A 27 15.584 -2.862 -14.924 1.00 0.00 C ATOM 411 C TYR A 27 14.437 -3.834 -14.703 1.00 0.00 C ATOM 412 O TYR A 27 13.845 -3.852 -13.628 1.00 0.00 O ATOM 413 CB TYR A 27 15.017 -1.659 -15.666 1.00 0.00 C ATOM 414 CG TYR A 27 15.914 -0.459 -15.827 1.00 0.00 C ATOM 415 CD1 TYR A 27 17.167 -0.375 -15.198 1.00 0.00 C ATOM 416 CD2 TYR A 27 15.454 0.598 -16.620 1.00 0.00 C ATOM 417 CE1 TYR A 27 17.946 0.778 -15.357 1.00 0.00 C ATOM 418 CE2 TYR A 27 16.213 1.758 -16.769 1.00 0.00 C ATOM 419 CZ TYR A 27 17.468 1.851 -16.138 1.00 0.00 C ATOM 420 OH TYR A 27 18.217 2.977 -16.280 1.00 0.00 O ATOM 0 H TYR A 27 16.760 -2.900 -16.636 1.00 0.00 H new ATOM 0 HA TYR A 27 16.029 -2.602 -13.963 1.00 0.00 H new ATOM 0 HB2 TYR A 27 14.713 -1.988 -16.660 1.00 0.00 H new ATOM 0 HB3 TYR A 27 14.114 -1.338 -15.147 1.00 0.00 H new ATOM 0 HD1 TYR A 27 17.528 -1.195 -14.595 1.00 0.00 H new ATOM 0 HD2 TYR A 27 14.501 0.514 -17.122 1.00 0.00 H new ATOM 0 HE1 TYR A 27 18.913 0.846 -14.881 1.00 0.00 H new ATOM 0 HE2 TYR A 27 15.841 2.579 -17.364 1.00 0.00 H new ATOM 0 HH TYR A 27 19.099 2.741 -16.636 1.00 0.00 H new ATOM 430 N ASP A 28 14.119 -4.642 -15.715 1.00 0.00 N ATOM 431 CA ASP A 28 13.002 -5.563 -15.665 1.00 0.00 C ATOM 432 C ASP A 28 13.230 -6.623 -14.589 1.00 0.00 C ATOM 433 O ASP A 28 12.269 -7.154 -14.036 1.00 0.00 O ATOM 434 CB ASP A 28 12.820 -6.188 -17.045 1.00 0.00 C ATOM 435 CG ASP A 28 11.539 -7.013 -17.109 1.00 0.00 C ATOM 436 OD1 ASP A 28 10.454 -6.390 -17.128 1.00 0.00 O ATOM 437 OD2 ASP A 28 11.653 -8.259 -17.138 1.00 0.00 O ATOM 0 H ASP A 28 14.637 -4.670 -16.593 1.00 0.00 H new ATOM 0 HA ASP A 28 12.089 -5.030 -15.398 1.00 0.00 H new ATOM 0 HB2 ASP A 28 12.790 -5.404 -17.802 1.00 0.00 H new ATOM 0 HB3 ASP A 28 13.676 -6.821 -17.277 1.00 0.00 H new ATOM 442 N GLN A 29 14.494 -6.930 -14.279 1.00 0.00 N ATOM 443 CA GLN A 29 14.784 -7.878 -13.220 1.00 0.00 C ATOM 444 C GLN A 29 14.639 -7.248 -11.836 1.00 0.00 C ATOM 445 O GLN A 29 14.582 -7.976 -10.849 1.00 0.00 O ATOM 446 CB GLN A 29 16.182 -8.467 -13.376 1.00 0.00 C ATOM 447 CG GLN A 29 16.264 -9.337 -14.630 1.00 0.00 C ATOM 448 CD GLN A 29 16.856 -8.592 -15.817 1.00 0.00 C ATOM 449 OE1 GLN A 29 18.052 -8.317 -15.836 1.00 0.00 O ATOM 450 NE2 GLN A 29 16.031 -8.262 -16.808 1.00 0.00 N ATOM 0 H GLN A 29 15.314 -6.539 -14.742 1.00 0.00 H new ATOM 0 HA GLN A 29 14.051 -8.680 -13.307 1.00 0.00 H new ATOM 0 HB2 GLN A 29 16.916 -7.663 -13.436 1.00 0.00 H new ATOM 0 HB3 GLN A 29 16.432 -9.062 -12.497 1.00 0.00 H new ATOM 0 HG2 GLN A 29 16.870 -10.218 -14.418 1.00 0.00 H new ATOM 0 HG3 GLN A 29 15.266 -9.692 -14.888 1.00 0.00 H new ATOM 0 HE21 GLN A 29 15.043 -8.510 -16.753 1.00 0.00 H new ATOM 0 HE22 GLN A 29 16.387 -7.762 -17.623 1.00 0.00 H new ATOM 459 N LEU A 30 14.575 -5.918 -11.735 1.00 0.00 N ATOM 460 CA LEU A 30 14.316 -5.267 -10.455 1.00 0.00 C ATOM 461 C LEU A 30 12.896 -5.590 -10.028 1.00 0.00 C ATOM 462 O LEU A 30 12.625 -5.762 -8.843 1.00 0.00 O ATOM 463 CB LEU A 30 14.453 -3.757 -10.606 1.00 0.00 C ATOM 464 CG LEU A 30 15.811 -3.344 -11.147 1.00 0.00 C ATOM 465 CD1 LEU A 30 15.993 -1.839 -11.014 1.00 0.00 C ATOM 466 CD2 LEU A 30 16.955 -4.047 -10.421 1.00 0.00 C ATOM 0 H LEU A 30 14.698 -5.278 -12.519 1.00 0.00 H new ATOM 0 HA LEU A 30 15.030 -5.622 -9.712 1.00 0.00 H new ATOM 0 HB2 LEU A 30 13.673 -3.390 -11.274 1.00 0.00 H new ATOM 0 HB3 LEU A 30 14.292 -3.283 -9.638 1.00 0.00 H new ATOM 0 HG LEU A 30 15.839 -3.637 -12.197 1.00 0.00 H new ATOM 0 HD11 LEU A 30 16.970 -1.555 -11.405 1.00 0.00 H new ATOM 0 HD12 LEU A 30 15.213 -1.327 -11.578 1.00 0.00 H new ATOM 0 HD13 LEU A 30 15.926 -1.556 -9.964 1.00 0.00 H new ATOM 0 HD21 LEU A 30 17.907 -3.722 -10.841 1.00 0.00 H new ATOM 0 HD22 LEU A 30 16.921 -3.797 -9.361 1.00 0.00 H new ATOM 0 HD23 LEU A 30 16.855 -5.126 -10.542 1.00 0.00 H new ATOM 478 N ILE A 31 11.989 -5.675 -11.002 1.00 0.00 N ATOM 479 CA ILE A 31 10.613 -6.014 -10.717 1.00 0.00 C ATOM 480 C ILE A 31 10.498 -7.516 -10.478 1.00 0.00 C ATOM 481 O ILE A 31 9.701 -7.961 -9.670 1.00 0.00 O ATOM 482 CB ILE A 31 9.704 -5.598 -11.874 1.00 0.00 C ATOM 483 CG1 ILE A 31 9.880 -4.137 -12.277 1.00 0.00 C ATOM 484 CG2 ILE A 31 8.291 -5.739 -11.350 1.00 0.00 C ATOM 485 CD1 ILE A 31 10.633 -4.033 -13.592 1.00 0.00 C ATOM 0 H ILE A 31 12.191 -5.513 -11.989 1.00 0.00 H new ATOM 0 HA ILE A 31 10.297 -5.477 -9.823 1.00 0.00 H new ATOM 0 HB ILE A 31 9.936 -6.212 -12.744 1.00 0.00 H new ATOM 0 HG12 ILE A 31 8.904 -3.660 -12.371 1.00 0.00 H new ATOM 0 HG13 ILE A 31 10.422 -3.602 -11.498 1.00 0.00 H new ATOM 0 HG21 ILE A 31 7.584 -5.456 -12.130 1.00 0.00 H new ATOM 0 HG22 ILE A 31 8.113 -6.774 -11.057 1.00 0.00 H new ATOM 0 HG23 ILE A 31 8.157 -5.089 -10.485 1.00 0.00 H new ATOM 0 HD11 ILE A 31 10.749 -2.984 -13.863 1.00 0.00 H new ATOM 0 HD12 ILE A 31 11.616 -4.491 -13.485 1.00 0.00 H new ATOM 0 HD13 ILE A 31 10.075 -4.550 -14.373 1.00 0.00 H new ATOM 497 N THR A 32 11.283 -8.332 -11.165 1.00 0.00 N ATOM 498 CA THR A 32 11.199 -9.766 -10.937 1.00 0.00 C ATOM 499 C THR A 32 11.909 -10.169 -9.644 1.00 0.00 C ATOM 500 O THR A 32 11.550 -11.177 -9.039 1.00 0.00 O ATOM 501 CB THR A 32 11.843 -10.453 -12.138 1.00 0.00 C ATOM 502 OG1 THR A 32 11.044 -10.255 -13.282 1.00 0.00 O ATOM 503 CG2 THR A 32 12.062 -11.951 -11.952 1.00 0.00 C ATOM 0 H THR A 32 11.965 -8.038 -11.864 1.00 0.00 H new ATOM 0 HA THR A 32 10.157 -10.067 -10.829 1.00 0.00 H new ATOM 0 HB THR A 32 12.827 -9.997 -12.251 1.00 0.00 H new ATOM 0 HG1 THR A 32 11.460 -10.695 -14.052 1.00 0.00 H new ATOM 0 HG21 THR A 32 12.523 -12.365 -12.849 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.716 -12.120 -11.096 1.00 0.00 H new ATOM 0 HG23 THR A 32 11.104 -12.440 -11.778 1.00 0.00 H new ATOM 511 N ALA A 33 12.910 -9.396 -9.209 1.00 0.00 N ATOM 512 CA ALA A 33 13.602 -9.687 -7.964 1.00 0.00 C ATOM 513 C ALA A 33 12.854 -9.053 -6.795 1.00 0.00 C ATOM 514 O ALA A 33 12.909 -9.548 -5.669 1.00 0.00 O ATOM 515 CB ALA A 33 15.018 -9.114 -8.018 1.00 0.00 C ATOM 0 H ALA A 33 13.252 -8.571 -9.702 1.00 0.00 H new ATOM 0 HA ALA A 33 13.645 -10.767 -7.827 1.00 0.00 H new ATOM 0 HB1 ALA A 33 15.535 -9.333 -7.084 1.00 0.00 H new ATOM 0 HB2 ALA A 33 15.562 -9.565 -8.848 1.00 0.00 H new ATOM 0 HB3 ALA A 33 14.968 -8.035 -8.161 1.00 0.00 H new ATOM 521 N GLN A 34 12.155 -7.950 -7.075 1.00 0.00 N ATOM 522 CA GLN A 34 11.382 -7.215 -6.104 1.00 0.00 C ATOM 523 C GLN A 34 10.136 -6.652 -6.775 1.00 0.00 C ATOM 524 O GLN A 34 10.014 -5.458 -7.032 1.00 0.00 O ATOM 525 CB GLN A 34 12.286 -6.115 -5.582 1.00 0.00 C ATOM 526 CG GLN A 34 12.131 -5.809 -4.098 1.00 0.00 C ATOM 527 CD GLN A 34 13.208 -4.787 -3.772 1.00 0.00 C ATOM 528 OE1 GLN A 34 14.415 -5.062 -4.259 1.00 0.00 O flip ATOM 529 NE2 GLN A 34 12.965 -3.782 -3.107 1.00 0.00 N flip ATOM 0 H GLN A 34 12.118 -7.544 -8.010 1.00 0.00 H new ATOM 0 HA GLN A 34 11.045 -7.843 -5.279 1.00 0.00 H new ATOM 0 HB2 GLN A 34 13.322 -6.394 -5.774 1.00 0.00 H new ATOM 0 HB3 GLN A 34 12.091 -5.204 -6.148 1.00 0.00 H new ATOM 0 HG2 GLN A 34 11.138 -5.414 -3.882 1.00 0.00 H new ATOM 0 HG3 GLN A 34 12.253 -6.711 -3.498 1.00 0.00 H new ATOM 0 HE21 GLN A 34 12.021 -3.618 -2.757 1.00 0.00 H new ATOM 0 HE22 GLN A 34 13.707 -3.112 -2.906 1.00 0.00 H new ATOM 538 N PRO A 35 9.189 -7.539 -7.070 1.00 0.00 N ATOM 539 CA PRO A 35 7.974 -7.205 -7.790 1.00 0.00 C ATOM 540 C PRO A 35 7.091 -6.308 -6.952 1.00 0.00 C ATOM 541 O PRO A 35 6.123 -5.720 -7.430 1.00 0.00 O ATOM 542 CB PRO A 35 7.345 -8.545 -8.127 1.00 0.00 C ATOM 543 CG PRO A 35 8.112 -9.614 -7.351 1.00 0.00 C ATOM 544 CD PRO A 35 9.280 -8.925 -6.688 1.00 0.00 C ATOM 0 HA PRO A 35 8.151 -6.633 -8.701 1.00 0.00 H new ATOM 0 HB2 PRO A 35 6.290 -8.554 -7.853 1.00 0.00 H new ATOM 0 HB3 PRO A 35 7.398 -8.736 -9.199 1.00 0.00 H new ATOM 0 HG2 PRO A 35 7.470 -10.086 -6.607 1.00 0.00 H new ATOM 0 HG3 PRO A 35 8.458 -10.402 -8.020 1.00 0.00 H new ATOM 0 HD2 PRO A 35 9.235 -9.035 -5.605 1.00 0.00 H new ATOM 0 HD3 PRO A 35 10.226 -9.359 -7.014 1.00 0.00 H new ATOM 552 N GLN A 36 7.475 -6.227 -5.686 1.00 0.00 N ATOM 553 CA GLN A 36 6.927 -5.279 -4.735 1.00 0.00 C ATOM 554 C GLN A 36 7.850 -4.087 -4.495 1.00 0.00 C ATOM 555 O GLN A 36 8.008 -3.633 -3.362 1.00 0.00 O ATOM 556 CB GLN A 36 6.534 -5.957 -3.427 1.00 0.00 C ATOM 557 CG GLN A 36 5.645 -7.181 -3.629 1.00 0.00 C ATOM 558 CD GLN A 36 6.409 -8.445 -3.247 1.00 0.00 C ATOM 559 OE1 GLN A 36 7.150 -9.005 -4.197 1.00 0.00 O flip ATOM 560 NE2 GLN A 36 6.333 -8.906 -2.112 1.00 0.00 N flip ATOM 0 H GLN A 36 8.192 -6.833 -5.286 1.00 0.00 H new ATOM 0 HA GLN A 36 6.018 -4.881 -5.186 1.00 0.00 H new ATOM 0 HB2 GLN A 36 7.437 -6.255 -2.894 1.00 0.00 H new ATOM 0 HB3 GLN A 36 6.013 -5.238 -2.794 1.00 0.00 H new ATOM 0 HG2 GLN A 36 4.745 -7.092 -3.021 1.00 0.00 H new ATOM 0 HG3 GLN A 36 5.323 -7.240 -4.669 1.00 0.00 H new ATOM 0 HE21 GLN A 36 5.752 -8.445 -1.412 1.00 0.00 H new ATOM 0 HE22 GLN A 36 6.851 -9.750 -1.869 1.00 0.00 H new ATOM 569 N ASN A 37 8.465 -3.576 -5.564 1.00 0.00 N ATOM 570 CA ASN A 37 9.327 -2.404 -5.489 1.00 0.00 C ATOM 571 C ASN A 37 9.074 -1.489 -6.675 1.00 0.00 C ATOM 572 O ASN A 37 8.807 -1.948 -7.784 1.00 0.00 O ATOM 573 CB ASN A 37 10.789 -2.847 -5.434 1.00 0.00 C ATOM 574 CG ASN A 37 11.542 -2.454 -6.690 1.00 0.00 C ATOM 575 OD1 ASN A 37 12.236 -1.445 -6.727 1.00 0.00 O ATOM 576 ND2 ASN A 37 11.395 -3.258 -7.728 1.00 0.00 N ATOM 0 H ASN A 37 8.377 -3.965 -6.503 1.00 0.00 H new ATOM 0 HA ASN A 37 9.101 -1.843 -4.582 1.00 0.00 H new ATOM 0 HB2 ASN A 37 11.272 -2.400 -4.565 1.00 0.00 H new ATOM 0 HB3 ASN A 37 10.837 -3.928 -5.304 1.00 0.00 H new ATOM 0 HD21 ASN A 37 11.870 -3.049 -8.606 1.00 0.00 H new ATOM 0 HD22 ASN A 37 10.807 -4.088 -7.651 1.00 0.00 H new ATOM 583 N PRO A 38 9.157 -0.183 -6.427 1.00 0.00 N ATOM 584 CA PRO A 38 8.813 0.840 -7.385 1.00 0.00 C ATOM 585 C PRO A 38 9.955 1.231 -8.310 1.00 0.00 C ATOM 586 O PRO A 38 9.686 1.356 -9.501 1.00 0.00 O ATOM 587 CB PRO A 38 8.389 1.973 -6.482 1.00 0.00 C ATOM 588 CG PRO A 38 9.295 1.881 -5.262 1.00 0.00 C ATOM 589 CD PRO A 38 9.539 0.388 -5.143 1.00 0.00 C ATOM 0 HA PRO A 38 8.048 0.517 -8.091 1.00 0.00 H new ATOM 0 HB2 PRO A 38 8.500 2.935 -6.981 1.00 0.00 H new ATOM 0 HB3 PRO A 38 7.340 1.879 -6.200 1.00 0.00 H new ATOM 0 HG2 PRO A 38 10.224 2.433 -5.404 1.00 0.00 H new ATOM 0 HG3 PRO A 38 8.817 2.286 -4.370 1.00 0.00 H new ATOM 0 HD2 PRO A 38 10.585 0.180 -4.919 1.00 0.00 H new ATOM 0 HD3 PRO A 38 8.948 -0.041 -4.334 1.00 0.00 H new ATOM 597 N VAL A 39 11.203 1.432 -7.857 1.00 0.00 N ATOM 598 CA VAL A 39 12.295 1.666 -8.800 1.00 0.00 C ATOM 599 C VAL A 39 12.290 0.675 -9.946 1.00 0.00 C ATOM 600 O VAL A 39 12.686 0.987 -11.065 1.00 0.00 O ATOM 601 CB VAL A 39 13.662 1.671 -8.121 1.00 0.00 C ATOM 602 CG1 VAL A 39 13.724 1.497 -6.617 1.00 0.00 C ATOM 603 CG2 VAL A 39 14.720 0.821 -8.822 1.00 0.00 C ATOM 0 H VAL A 39 11.471 1.437 -6.873 1.00 0.00 H new ATOM 0 HA VAL A 39 12.117 2.660 -9.209 1.00 0.00 H new ATOM 0 HB VAL A 39 13.915 2.722 -8.259 1.00 0.00 H new ATOM 0 HG11 VAL A 39 14.764 1.523 -6.290 1.00 0.00 H new ATOM 0 HG12 VAL A 39 13.171 2.303 -6.134 1.00 0.00 H new ATOM 0 HG13 VAL A 39 13.282 0.539 -6.343 1.00 0.00 H new ATOM 0 HG21 VAL A 39 15.659 0.883 -8.272 1.00 0.00 H new ATOM 0 HG22 VAL A 39 14.388 -0.217 -8.858 1.00 0.00 H new ATOM 0 HG23 VAL A 39 14.869 1.190 -9.837 1.00 0.00 H new ATOM 613 N GLY A 40 11.824 -0.528 -9.639 1.00 0.00 N ATOM 614 CA GLY A 40 11.653 -1.563 -10.645 1.00 0.00 C ATOM 615 C GLY A 40 10.842 -1.004 -11.805 1.00 0.00 C ATOM 616 O GLY A 40 11.293 -1.024 -12.948 1.00 0.00 O ATOM 0 H GLY A 40 11.557 -0.810 -8.696 1.00 0.00 H new ATOM 0 HA2 GLY A 40 12.625 -1.908 -10.998 1.00 0.00 H new ATOM 0 HA3 GLY A 40 11.146 -2.426 -10.214 1.00 0.00 H new ATOM 620 N TYR A 41 9.646 -0.497 -11.513 1.00 0.00 N ATOM 621 CA TYR A 41 8.780 0.100 -12.503 1.00 0.00 C ATOM 622 C TYR A 41 9.320 1.458 -12.931 1.00 0.00 C ATOM 623 O TYR A 41 9.071 1.880 -14.054 1.00 0.00 O ATOM 624 CB TYR A 41 7.415 0.268 -11.844 1.00 0.00 C ATOM 625 CG TYR A 41 6.800 -1.031 -11.397 1.00 0.00 C ATOM 626 CD1 TYR A 41 6.142 -1.853 -12.322 1.00 0.00 C ATOM 627 CD2 TYR A 41 6.899 -1.412 -10.052 1.00 0.00 C ATOM 628 CE1 TYR A 41 5.587 -3.072 -11.903 1.00 0.00 C ATOM 629 CE2 TYR A 41 6.349 -2.630 -9.628 1.00 0.00 C ATOM 630 CZ TYR A 41 5.688 -3.464 -10.554 1.00 0.00 C ATOM 631 OH TYR A 41 5.149 -4.650 -10.151 1.00 0.00 O ATOM 0 H TYR A 41 9.256 -0.494 -10.571 1.00 0.00 H new ATOM 0 HA TYR A 41 8.717 -0.526 -13.393 1.00 0.00 H new ATOM 0 HB2 TYR A 41 7.515 0.929 -10.983 1.00 0.00 H new ATOM 0 HB3 TYR A 41 6.740 0.758 -12.545 1.00 0.00 H new ATOM 0 HD1 TYR A 41 6.062 -1.549 -13.355 1.00 0.00 H new ATOM 0 HD2 TYR A 41 7.398 -0.768 -9.343 1.00 0.00 H new ATOM 0 HE1 TYR A 41 5.083 -3.709 -12.615 1.00 0.00 H new ATOM 0 HE2 TYR A 41 6.431 -2.929 -8.594 1.00 0.00 H new ATOM 0 HH TYR A 41 5.527 -4.903 -9.283 1.00 0.00 H new ATOM 641 N SER A 42 10.054 2.149 -12.055 1.00 0.00 N ATOM 642 CA SER A 42 10.436 3.542 -12.272 1.00 0.00 C ATOM 643 C SER A 42 11.573 3.674 -13.279 1.00 0.00 C ATOM 644 O SER A 42 11.588 4.618 -14.065 1.00 0.00 O ATOM 645 CB SER A 42 10.851 4.194 -10.949 1.00 0.00 C ATOM 646 OG SER A 42 9.910 3.857 -9.968 1.00 0.00 O ATOM 0 H SER A 42 10.398 1.758 -11.178 1.00 0.00 H new ATOM 0 HA SER A 42 9.563 4.053 -12.678 1.00 0.00 H new ATOM 0 HB2 SER A 42 11.843 3.852 -10.654 1.00 0.00 H new ATOM 0 HB3 SER A 42 10.907 5.277 -11.063 1.00 0.00 H new ATOM 0 HG SER A 42 9.796 2.884 -9.945 1.00 0.00 H new ATOM 652 N ASN A 43 12.522 2.743 -13.265 1.00 0.00 N ATOM 653 CA ASN A 43 13.641 2.774 -14.193 1.00 0.00 C ATOM 654 C ASN A 43 13.159 2.322 -15.571 1.00 0.00 C ATOM 655 O ASN A 43 13.426 2.980 -16.575 1.00 0.00 O ATOM 656 CB ASN A 43 14.740 1.857 -13.664 1.00 0.00 C ATOM 657 CG ASN A 43 15.390 2.410 -12.408 1.00 0.00 C ATOM 658 OD1 ASN A 43 14.772 3.134 -11.637 1.00 0.00 O ATOM 659 ND2 ASN A 43 16.656 2.073 -12.193 1.00 0.00 N ATOM 0 H ASN A 43 12.536 1.955 -12.617 1.00 0.00 H new ATOM 0 HA ASN A 43 14.042 3.783 -14.284 1.00 0.00 H new ATOM 0 HB2 ASN A 43 14.320 0.874 -13.452 1.00 0.00 H new ATOM 0 HB3 ASN A 43 15.499 1.720 -14.434 1.00 0.00 H new ATOM 0 HD21 ASN A 43 17.142 2.419 -11.366 1.00 0.00 H new ATOM 0 HD22 ASN A 43 17.142 1.468 -12.855 1.00 0.00 H new ATOM 666 N LYS A 44 12.442 1.191 -15.611 1.00 0.00 N ATOM 667 CA LYS A 44 11.818 0.662 -16.821 1.00 0.00 C ATOM 668 C LYS A 44 10.844 1.694 -17.385 1.00 0.00 C ATOM 669 O LYS A 44 10.653 1.755 -18.595 1.00 0.00 O ATOM 670 CB LYS A 44 11.102 -0.630 -16.433 1.00 0.00 C ATOM 671 CG LYS A 44 10.391 -1.284 -17.619 1.00 0.00 C ATOM 672 CD LYS A 44 9.789 -2.618 -17.179 1.00 0.00 C ATOM 673 CE LYS A 44 9.078 -3.285 -18.353 1.00 0.00 C ATOM 674 NZ LYS A 44 8.496 -4.583 -17.961 1.00 0.00 N ATOM 0 H LYS A 44 12.279 0.612 -14.787 1.00 0.00 H new ATOM 0 HA LYS A 44 12.556 0.453 -17.596 1.00 0.00 H new ATOM 0 HB2 LYS A 44 11.825 -1.331 -16.015 1.00 0.00 H new ATOM 0 HB3 LYS A 44 10.375 -0.417 -15.650 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.608 -0.626 -17.995 1.00 0.00 H new ATOM 0 HG3 LYS A 44 11.095 -1.442 -18.436 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.574 -3.272 -16.800 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.086 -2.457 -16.362 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.291 -2.629 -18.724 1.00 0.00 H new ATOM 0 HE3 LYS A 44 9.783 -3.432 -19.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 7.867 -4.923 -18.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 9.259 -5.273 -17.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 7.952 -4.468 -17.082 1.00 0.00 H new ATOM 688 N ALA A 45 10.227 2.510 -16.524 1.00 0.00 N ATOM 689 CA ALA A 45 9.270 3.516 -16.970 1.00 0.00 C ATOM 690 C ALA A 45 9.968 4.721 -17.575 1.00 0.00 C ATOM 691 O ALA A 45 9.610 5.139 -18.673 1.00 0.00 O ATOM 692 CB ALA A 45 8.419 3.996 -15.798 1.00 0.00 C ATOM 0 H ALA A 45 10.376 2.490 -15.515 1.00 0.00 H new ATOM 0 HA ALA A 45 8.643 3.046 -17.728 1.00 0.00 H new ATOM 0 HB1 ALA A 45 7.710 4.747 -16.147 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.875 3.152 -15.374 1.00 0.00 H new ATOM 0 HB3 ALA A 45 9.064 4.433 -15.035 1.00 0.00 H new ATOM 698 N MET A 46 10.957 5.285 -16.875 1.00 0.00 N ATOM 699 CA MET A 46 11.687 6.436 -17.378 1.00 0.00 C ATOM 700 C MET A 46 12.220 6.156 -18.777 1.00 0.00 C ATOM 701 O MET A 46 12.176 7.027 -19.641 1.00 0.00 O ATOM 702 CB MET A 46 12.849 6.744 -16.437 1.00 0.00 C ATOM 703 CG MET A 46 13.574 8.043 -16.801 1.00 0.00 C ATOM 704 SD MET A 46 12.625 9.575 -16.592 1.00 0.00 S ATOM 705 CE MET A 46 11.936 9.787 -18.258 1.00 0.00 C ATOM 0 H MET A 46 11.265 4.958 -15.959 1.00 0.00 H new ATOM 0 HA MET A 46 11.014 7.292 -17.427 1.00 0.00 H new ATOM 0 HB2 MET A 46 12.475 6.815 -15.416 1.00 0.00 H new ATOM 0 HB3 MET A 46 13.559 5.917 -16.460 1.00 0.00 H new ATOM 0 HG2 MET A 46 14.476 8.113 -16.194 1.00 0.00 H new ATOM 0 HG3 MET A 46 13.894 7.977 -17.841 1.00 0.00 H new ATOM 0 HE1 MET A 46 11.852 10.850 -18.484 1.00 0.00 H new ATOM 0 HE2 MET A 46 12.593 9.311 -18.987 1.00 0.00 H new ATOM 0 HE3 MET A 46 10.949 9.327 -18.305 1.00 0.00 H new ATOM 715 N ALA A 47 12.720 4.941 -19.004 1.00 0.00 N ATOM 716 CA ALA A 47 13.288 4.572 -20.289 1.00 0.00 C ATOM 717 C ALA A 47 12.215 4.458 -21.371 1.00 0.00 C ATOM 718 O ALA A 47 12.491 4.746 -22.531 1.00 0.00 O ATOM 719 CB ALA A 47 14.012 3.242 -20.110 1.00 0.00 C ATOM 0 H ALA A 47 12.740 4.196 -18.307 1.00 0.00 H new ATOM 0 HA ALA A 47 13.980 5.347 -20.618 1.00 0.00 H new ATOM 0 HB1 ALA A 47 14.451 2.936 -21.060 1.00 0.00 H new ATOM 0 HB2 ALA A 47 14.800 3.354 -19.365 1.00 0.00 H new ATOM 0 HB3 ALA A 47 13.303 2.484 -19.777 1.00 0.00 H new ATOM 725 N LEU A 48 10.992 4.045 -21.020 1.00 0.00 N ATOM 726 CA LEU A 48 9.912 3.964 -21.993 1.00 0.00 C ATOM 727 C LEU A 48 9.561 5.346 -22.533 1.00 0.00 C ATOM 728 O LEU A 48 9.094 5.454 -23.662 1.00 0.00 O ATOM 729 CB LEU A 48 8.683 3.308 -21.359 1.00 0.00 C ATOM 730 CG LEU A 48 8.871 1.801 -21.176 1.00 0.00 C ATOM 731 CD1 LEU A 48 7.750 1.259 -20.295 1.00 0.00 C ATOM 732 CD2 LEU A 48 8.843 1.074 -22.517 1.00 0.00 C ATOM 0 H LEU A 48 10.732 3.765 -20.074 1.00 0.00 H new ATOM 0 HA LEU A 48 10.247 3.351 -22.830 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.484 3.769 -20.392 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.810 3.491 -21.985 1.00 0.00 H new ATOM 0 HG LEU A 48 9.841 1.631 -20.710 1.00 0.00 H new ATOM 0 HD11 LEU A 48 7.879 0.185 -20.161 1.00 0.00 H new ATOM 0 HD12 LEU A 48 7.780 1.752 -19.323 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.788 1.452 -20.770 1.00 0.00 H new ATOM 0 HD21 LEU A 48 8.979 0.005 -22.354 1.00 0.00 H new ATOM 0 HD22 LEU A 48 7.884 1.248 -23.005 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.646 1.450 -23.151 1.00 0.00 H new ATOM 744 N ILE A 49 9.776 6.412 -21.756 1.00 0.00 N ATOM 745 CA ILE A 49 9.569 7.765 -22.260 1.00 0.00 C ATOM 746 C ILE A 49 10.642 8.070 -23.292 1.00 0.00 C ATOM 747 O ILE A 49 10.378 8.726 -24.300 1.00 0.00 O ATOM 748 CB ILE A 49 9.660 8.761 -21.094 1.00 0.00 C ATOM 749 CG1 ILE A 49 8.350 8.856 -20.316 1.00 0.00 C ATOM 750 CG2 ILE A 49 10.024 10.164 -21.584 1.00 0.00 C ATOM 751 CD1 ILE A 49 8.115 7.649 -19.414 1.00 0.00 C ATOM 0 H ILE A 49 10.090 6.362 -20.787 1.00 0.00 H new ATOM 0 HA ILE A 49 8.585 7.850 -22.721 1.00 0.00 H new ATOM 0 HB ILE A 49 10.443 8.380 -20.438 1.00 0.00 H new ATOM 0 HG12 ILE A 49 8.356 9.762 -19.710 1.00 0.00 H new ATOM 0 HG13 ILE A 49 7.521 8.948 -21.018 1.00 0.00 H new ATOM 0 HG21 ILE A 49 10.080 10.843 -20.733 1.00 0.00 H new ATOM 0 HG22 ILE A 49 10.990 10.134 -22.089 1.00 0.00 H new ATOM 0 HG23 ILE A 49 9.262 10.516 -22.280 1.00 0.00 H new ATOM 0 HD11 ILE A 49 7.170 7.769 -18.885 1.00 0.00 H new ATOM 0 HD12 ILE A 49 8.079 6.744 -20.020 1.00 0.00 H new ATOM 0 HD13 ILE A 49 8.928 7.571 -18.692 1.00 0.00 H new ATOM 763 N LYS A 50 11.861 7.593 -23.042 1.00 0.00 N ATOM 764 CA LYS A 50 12.980 7.793 -23.944 1.00 0.00 C ATOM 765 C LYS A 50 12.817 6.958 -25.215 1.00 0.00 C ATOM 766 O LYS A 50 13.544 7.153 -26.188 1.00 0.00 O ATOM 767 CB LYS A 50 14.263 7.413 -23.221 1.00 0.00 C ATOM 768 CG LYS A 50 14.404 8.091 -21.882 1.00 0.00 C ATOM 769 CD LYS A 50 14.275 9.598 -22.048 1.00 0.00 C ATOM 770 CE LYS A 50 14.957 10.137 -20.816 1.00 0.00 C ATOM 771 NZ LYS A 50 15.000 11.613 -20.800 1.00 0.00 N ATOM 0 H LYS A 50 12.094 7.057 -22.206 1.00 0.00 H new ATOM 0 HA LYS A 50 13.018 8.841 -24.242 1.00 0.00 H new ATOM 0 HB2 LYS A 50 14.288 6.332 -23.080 1.00 0.00 H new ATOM 0 HB3 LYS A 50 15.117 7.673 -23.846 1.00 0.00 H new ATOM 0 HG2 LYS A 50 13.639 7.725 -21.197 1.00 0.00 H new ATOM 0 HG3 LYS A 50 15.370 7.846 -21.441 1.00 0.00 H new ATOM 0 HD2 LYS A 50 14.758 9.946 -22.961 1.00 0.00 H new ATOM 0 HD3 LYS A 50 13.232 9.910 -22.101 1.00 0.00 H new ATOM 0 HE2 LYS A 50 14.433 9.781 -19.929 1.00 0.00 H new ATOM 0 HE3 LYS A 50 15.973 9.745 -20.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 15.478 11.937 -19.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 15.522 11.954 -21.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 14.031 11.989 -20.822 1.00 0.00 H new ATOM 785 N LEU A 51 11.855 6.030 -25.198 1.00 0.00 N ATOM 786 CA LEU A 51 11.512 5.174 -26.316 1.00 0.00 C ATOM 787 C LEU A 51 10.188 5.660 -26.913 1.00 0.00 C ATOM 788 O LEU A 51 9.799 5.248 -28.006 1.00 0.00 O ATOM 789 CB LEU A 51 11.362 3.744 -25.792 1.00 0.00 C ATOM 790 CG LEU A 51 12.688 3.129 -25.327 1.00 0.00 C ATOM 791 CD1 LEU A 51 12.403 1.820 -24.600 1.00 0.00 C ATOM 792 CD2 LEU A 51 13.619 2.833 -26.501 1.00 0.00 C ATOM 0 H LEU A 51 11.280 5.856 -24.374 1.00 0.00 H new ATOM 0 HA LEU A 51 12.283 5.202 -27.086 1.00 0.00 H new ATOM 0 HB2 LEU A 51 10.656 3.740 -24.961 1.00 0.00 H new ATOM 0 HB3 LEU A 51 10.934 3.119 -26.576 1.00 0.00 H new ATOM 0 HG LEU A 51 13.176 3.849 -24.670 1.00 0.00 H new ATOM 0 HD11 LEU A 51 13.342 1.377 -24.267 1.00 0.00 H new ATOM 0 HD12 LEU A 51 11.767 2.014 -23.737 1.00 0.00 H new ATOM 0 HD13 LEU A 51 11.897 1.131 -25.276 1.00 0.00 H new ATOM 0 HD21 LEU A 51 14.547 2.398 -26.129 1.00 0.00 H new ATOM 0 HD22 LEU A 51 13.136 2.131 -27.180 1.00 0.00 H new ATOM 0 HD23 LEU A 51 13.839 3.759 -27.033 1.00 0.00 H new ATOM 804 N GLY A 52 9.500 6.546 -26.179 1.00 0.00 N ATOM 805 CA GLY A 52 8.200 7.099 -26.525 1.00 0.00 C ATOM 806 C GLY A 52 7.109 6.037 -26.433 1.00 0.00 C ATOM 807 O GLY A 52 6.029 6.194 -26.998 1.00 0.00 O ATOM 0 H GLY A 52 9.856 6.906 -25.294 1.00 0.00 H new ATOM 0 HA2 GLY A 52 7.964 7.926 -25.856 1.00 0.00 H new ATOM 0 HA3 GLY A 52 8.232 7.506 -27.536 1.00 0.00 H new ATOM 811 N GLU A 53 7.412 4.955 -25.713 1.00 0.00 N ATOM 812 CA GLU A 53 6.496 3.871 -25.392 1.00 0.00 C ATOM 813 C GLU A 53 5.763 4.206 -24.113 1.00 0.00 C ATOM 814 O GLU A 53 5.433 3.349 -23.298 1.00 0.00 O ATOM 815 CB GLU A 53 7.281 2.564 -25.299 1.00 0.00 C ATOM 816 CG GLU A 53 7.949 2.245 -26.636 1.00 0.00 C ATOM 817 CD GLU A 53 6.934 1.723 -27.653 1.00 0.00 C ATOM 818 OE1 GLU A 53 6.648 0.505 -27.607 1.00 0.00 O ATOM 819 OE2 GLU A 53 6.452 2.544 -28.465 1.00 0.00 O ATOM 0 H GLU A 53 8.343 4.809 -25.324 1.00 0.00 H new ATOM 0 HA GLU A 53 5.746 3.745 -26.173 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.037 2.642 -24.517 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.613 1.751 -25.016 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.431 3.141 -27.027 1.00 0.00 H new ATOM 0 HG3 GLU A 53 8.732 1.502 -26.486 1.00 0.00 H new ATOM 826 N TYR A 54 5.521 5.501 -23.979 1.00 0.00 N ATOM 827 CA TYR A 54 4.671 6.106 -22.990 1.00 0.00 C ATOM 828 C TYR A 54 3.444 5.259 -22.664 1.00 0.00 C ATOM 829 O TYR A 54 3.093 5.125 -21.498 1.00 0.00 O ATOM 830 CB TYR A 54 4.131 7.340 -23.657 1.00 0.00 C ATOM 831 CG TYR A 54 5.085 8.340 -24.250 1.00 0.00 C ATOM 832 CD1 TYR A 54 6.222 8.756 -23.558 1.00 0.00 C ATOM 833 CD2 TYR A 54 4.810 8.837 -25.530 1.00 0.00 C ATOM 834 CE1 TYR A 54 7.107 9.663 -24.158 1.00 0.00 C ATOM 835 CE2 TYR A 54 5.715 9.703 -26.158 1.00 0.00 C ATOM 836 CZ TYR A 54 6.863 10.133 -25.465 1.00 0.00 C ATOM 837 OH TYR A 54 7.735 10.997 -26.056 1.00 0.00 O ATOM 0 H TYR A 54 5.943 6.191 -24.600 1.00 0.00 H new ATOM 0 HA TYR A 54 5.242 6.260 -22.074 1.00 0.00 H new ATOM 0 HB2 TYR A 54 3.462 7.014 -24.454 1.00 0.00 H new ATOM 0 HB3 TYR A 54 3.520 7.867 -22.924 1.00 0.00 H new ATOM 0 HD1 TYR A 54 6.420 8.381 -22.565 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.898 8.552 -26.034 1.00 0.00 H new ATOM 0 HE1 TYR A 54 7.978 10.003 -23.618 1.00 0.00 H new ATOM 0 HE2 TYR A 54 5.533 10.039 -27.168 1.00 0.00 H new ATOM 0 HH TYR A 54 7.416 11.219 -26.956 1.00 0.00 H new ATOM 847 N THR A 55 2.784 4.685 -23.679 1.00 0.00 N ATOM 848 CA THR A 55 1.554 3.920 -23.478 1.00 0.00 C ATOM 849 C THR A 55 1.768 2.884 -22.394 1.00 0.00 C ATOM 850 O THR A 55 0.879 2.594 -21.595 1.00 0.00 O ATOM 851 CB THR A 55 1.148 3.220 -24.772 1.00 0.00 C ATOM 852 OG1 THR A 55 1.204 4.124 -25.850 1.00 0.00 O ATOM 853 CG2 THR A 55 -0.278 2.696 -24.611 1.00 0.00 C ATOM 0 H THR A 55 3.087 4.739 -24.652 1.00 0.00 H new ATOM 0 HA THR A 55 0.761 4.606 -23.180 1.00 0.00 H new ATOM 0 HB THR A 55 1.831 2.395 -24.976 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.943 3.665 -26.676 1.00 0.00 H new ATOM 0 HG21 THR A 55 -0.586 2.192 -25.527 1.00 0.00 H new ATOM 0 HG22 THR A 55 -0.315 1.992 -23.779 1.00 0.00 H new ATOM 0 HG23 THR A 55 -0.952 3.529 -24.411 1.00 0.00 H new ATOM 861 N GLN A 56 2.979 2.339 -22.393 1.00 0.00 N ATOM 862 CA GLN A 56 3.431 1.354 -21.429 1.00 0.00 C ATOM 863 C GLN A 56 3.948 2.033 -20.168 1.00 0.00 C ATOM 864 O GLN A 56 3.699 1.568 -19.061 1.00 0.00 O ATOM 865 CB GLN A 56 4.558 0.542 -22.065 1.00 0.00 C ATOM 866 CG GLN A 56 4.158 -0.037 -23.422 1.00 0.00 C ATOM 867 CD GLN A 56 2.907 -0.896 -23.328 1.00 0.00 C ATOM 868 OE1 GLN A 56 1.748 -0.263 -23.486 1.00 0.00 O flip ATOM 869 NE2 GLN A 56 2.974 -2.105 -23.119 1.00 0.00 N flip ATOM 0 H GLN A 56 3.690 2.580 -23.084 1.00 0.00 H new ATOM 0 HA GLN A 56 2.597 0.708 -21.154 1.00 0.00 H new ATOM 0 HB2 GLN A 56 5.436 1.176 -22.187 1.00 0.00 H new ATOM 0 HB3 GLN A 56 4.842 -0.270 -21.395 1.00 0.00 H new ATOM 0 HG2 GLN A 56 3.987 0.776 -24.127 1.00 0.00 H new ATOM 0 HG3 GLN A 56 4.979 -0.635 -23.818 1.00 0.00 H new ATOM 0 HE21 GLN A 56 3.883 -2.553 -23.003 1.00 0.00 H new ATOM 0 HE22 GLN A 56 2.121 -2.661 -23.061 1.00 0.00 H new ATOM 878 N ALA A 57 4.669 3.140 -20.340 1.00 0.00 N ATOM 879 CA ALA A 57 5.207 3.915 -19.233 1.00 0.00 C ATOM 880 C ALA A 57 4.118 4.408 -18.282 1.00 0.00 C ATOM 881 O ALA A 57 4.327 4.439 -17.073 1.00 0.00 O ATOM 882 CB ALA A 57 5.928 5.121 -19.822 1.00 0.00 C ATOM 0 H ALA A 57 4.895 3.523 -21.258 1.00 0.00 H new ATOM 0 HA ALA A 57 5.876 3.277 -18.656 1.00 0.00 H new ATOM 0 HB1 ALA A 57 6.345 5.725 -19.016 1.00 0.00 H new ATOM 0 HB2 ALA A 57 6.733 4.781 -20.474 1.00 0.00 H new ATOM 0 HB3 ALA A 57 5.223 5.721 -20.398 1.00 0.00 H new ATOM 888 N ILE A 58 2.961 4.795 -18.825 1.00 0.00 N ATOM 889 CA ILE A 58 1.839 5.284 -18.039 1.00 0.00 C ATOM 890 C ILE A 58 1.399 4.179 -17.086 1.00 0.00 C ATOM 891 O ILE A 58 0.982 4.458 -15.966 1.00 0.00 O ATOM 892 CB ILE A 58 0.699 5.669 -18.988 1.00 0.00 C ATOM 893 CG1 ILE A 58 1.128 6.793 -19.936 1.00 0.00 C ATOM 894 CG2 ILE A 58 -0.561 6.127 -18.251 1.00 0.00 C ATOM 895 CD1 ILE A 58 0.372 6.674 -21.261 1.00 0.00 C ATOM 0 H ILE A 58 2.781 4.776 -19.829 1.00 0.00 H new ATOM 0 HA ILE A 58 2.122 6.163 -17.459 1.00 0.00 H new ATOM 0 HB ILE A 58 0.467 4.762 -19.547 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.928 7.762 -19.479 1.00 0.00 H new ATOM 0 HG13 ILE A 58 2.202 6.740 -20.114 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.333 6.386 -18.976 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.921 5.322 -17.610 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.329 7.000 -17.641 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.682 7.477 -21.930 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.594 5.711 -21.721 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.700 6.749 -21.076 1.00 0.00 H new ATOM 907 N GLN A 59 1.493 2.919 -17.530 1.00 0.00 N ATOM 908 CA GLN A 59 1.136 1.777 -16.717 1.00 0.00 C ATOM 909 C GLN A 59 2.191 1.514 -15.646 1.00 0.00 C ATOM 910 O GLN A 59 1.857 1.105 -14.539 1.00 0.00 O ATOM 911 CB GLN A 59 1.022 0.559 -17.622 1.00 0.00 C ATOM 912 CG GLN A 59 0.050 0.759 -18.778 1.00 0.00 C ATOM 913 CD GLN A 59 -1.225 1.442 -18.321 1.00 0.00 C ATOM 914 OE1 GLN A 59 -1.918 0.971 -17.424 1.00 0.00 O ATOM 915 NE2 GLN A 59 -1.537 2.567 -18.946 1.00 0.00 N ATOM 0 H GLN A 59 1.820 2.675 -18.465 1.00 0.00 H new ATOM 0 HA GLN A 59 0.188 1.978 -16.217 1.00 0.00 H new ATOM 0 HB2 GLN A 59 2.007 0.318 -18.022 1.00 0.00 H new ATOM 0 HB3 GLN A 59 0.700 -0.297 -17.029 1.00 0.00 H new ATOM 0 HG2 GLN A 59 0.526 1.357 -19.555 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -0.192 -0.206 -19.222 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -0.933 2.924 -19.686 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -2.382 3.077 -18.687 1.00 0.00 H new ATOM 924 N MET A 60 3.467 1.751 -15.974 1.00 0.00 N ATOM 925 CA MET A 60 4.569 1.537 -15.041 1.00 0.00 C ATOM 926 C MET A 60 4.606 2.619 -13.964 1.00 0.00 C ATOM 927 O MET A 60 4.843 2.315 -12.797 1.00 0.00 O ATOM 928 CB MET A 60 5.911 1.579 -15.776 1.00 0.00 C ATOM 929 CG MET A 60 6.109 0.558 -16.892 1.00 0.00 C ATOM 930 SD MET A 60 5.879 -1.179 -16.431 1.00 0.00 S ATOM 931 CE MET A 60 4.124 -1.326 -16.834 1.00 0.00 C ATOM 0 H MET A 60 3.759 2.094 -16.889 1.00 0.00 H new ATOM 0 HA MET A 60 4.408 0.561 -14.583 1.00 0.00 H new ATOM 0 HB2 MET A 60 6.037 2.576 -16.199 1.00 0.00 H new ATOM 0 HB3 MET A 60 6.706 1.441 -15.043 1.00 0.00 H new ATOM 0 HG2 MET A 60 5.416 0.794 -17.700 1.00 0.00 H new ATOM 0 HG3 MET A 60 7.116 0.677 -17.291 1.00 0.00 H new ATOM 0 HE1 MET A 60 3.882 -2.370 -17.032 1.00 0.00 H new ATOM 0 HE2 MET A 60 3.527 -0.968 -15.995 1.00 0.00 H new ATOM 0 HE3 MET A 60 3.902 -0.728 -17.718 1.00 0.00 H new ATOM 941 N CYS A 61 4.376 3.883 -14.335 1.00 0.00 N ATOM 942 CA CYS A 61 4.510 4.972 -13.379 1.00 0.00 C ATOM 943 C CYS A 61 3.422 4.832 -12.313 1.00 0.00 C ATOM 944 O CYS A 61 3.701 4.915 -11.126 1.00 0.00 O ATOM 945 CB CYS A 61 4.425 6.316 -14.099 1.00 0.00 C ATOM 946 SG CYS A 61 5.791 6.469 -15.275 1.00 0.00 S ATOM 0 H CYS A 61 4.101 4.168 -15.275 1.00 0.00 H new ATOM 0 HA CYS A 61 5.483 4.926 -12.890 1.00 0.00 H new ATOM 0 HB2 CYS A 61 3.472 6.399 -14.622 1.00 0.00 H new ATOM 0 HB3 CYS A 61 4.464 7.130 -13.375 1.00 0.00 H new ATOM 0 HG CYS A 61 5.560 5.716 -16.309 1.00 0.00 H new ATOM 952 N GLN A 62 2.172 4.615 -12.716 1.00 0.00 N ATOM 953 CA GLN A 62 1.110 4.376 -11.745 1.00 0.00 C ATOM 954 C GLN A 62 1.283 3.094 -10.909 1.00 0.00 C ATOM 955 O GLN A 62 0.802 3.039 -9.780 1.00 0.00 O ATOM 956 CB GLN A 62 -0.249 4.423 -12.438 1.00 0.00 C ATOM 957 CG GLN A 62 -0.401 3.387 -13.548 1.00 0.00 C ATOM 958 CD GLN A 62 -1.301 2.237 -13.115 1.00 0.00 C ATOM 959 OE1 GLN A 62 -0.702 1.156 -12.631 1.00 0.00 O flip ATOM 960 NE2 GLN A 62 -2.525 2.321 -13.212 1.00 0.00 N flip ATOM 0 H GLN A 62 1.874 4.600 -13.691 1.00 0.00 H new ATOM 0 HA GLN A 62 1.173 5.183 -11.015 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.032 4.267 -11.696 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -0.400 5.418 -12.857 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.817 3.862 -14.437 1.00 0.00 H new ATOM 0 HG3 GLN A 62 0.580 3.000 -13.823 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -2.950 3.168 -13.589 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -3.115 1.543 -12.915 1.00 0.00 H new ATOM 969 N GLN A 63 1.956 2.059 -11.429 1.00 0.00 N ATOM 970 CA GLN A 63 2.262 0.841 -10.688 1.00 0.00 C ATOM 971 C GLN A 63 3.212 1.113 -9.536 1.00 0.00 C ATOM 972 O GLN A 63 2.989 0.602 -8.448 1.00 0.00 O ATOM 973 CB GLN A 63 2.946 -0.130 -11.652 1.00 0.00 C ATOM 974 CG GLN A 63 2.315 -1.517 -11.675 1.00 0.00 C ATOM 975 CD GLN A 63 0.879 -1.510 -12.184 1.00 0.00 C ATOM 976 OE1 GLN A 63 -0.061 -1.340 -11.412 1.00 0.00 O ATOM 977 NE2 GLN A 63 0.696 -1.693 -13.488 1.00 0.00 N ATOM 0 H GLN A 63 2.305 2.050 -12.388 1.00 0.00 H new ATOM 0 HA GLN A 63 1.336 0.434 -10.281 1.00 0.00 H new ATOM 0 HB2 GLN A 63 2.917 0.289 -12.658 1.00 0.00 H new ATOM 0 HB3 GLN A 63 3.996 -0.223 -11.376 1.00 0.00 H new ATOM 0 HG2 GLN A 63 2.915 -2.173 -12.306 1.00 0.00 H new ATOM 0 HG3 GLN A 63 2.336 -1.936 -10.669 1.00 0.00 H new ATOM 0 HE21 GLN A 63 1.499 -1.831 -14.101 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -0.248 -1.695 -13.875 1.00 0.00 H new ATOM 986 N GLY A 64 4.265 1.905 -9.742 1.00 0.00 N ATOM 987 CA GLY A 64 5.197 2.193 -8.665 1.00 0.00 C ATOM 988 C GLY A 64 4.479 2.668 -7.395 1.00 0.00 C ATOM 989 O GLY A 64 4.937 2.395 -6.289 1.00 0.00 O ATOM 0 H GLY A 64 4.487 2.350 -10.633 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.778 1.299 -8.440 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.902 2.958 -8.991 1.00 0.00 H new ATOM 993 N LEU A 65 3.352 3.377 -7.540 1.00 0.00 N ATOM 994 CA LEU A 65 2.600 3.945 -6.422 1.00 0.00 C ATOM 995 C LEU A 65 1.947 2.881 -5.543 1.00 0.00 C ATOM 996 O LEU A 65 1.351 3.203 -4.515 1.00 0.00 O ATOM 997 CB LEU A 65 1.526 4.884 -6.971 1.00 0.00 C ATOM 998 CG LEU A 65 2.205 6.036 -7.708 1.00 0.00 C ATOM 999 CD1 LEU A 65 1.204 6.736 -8.618 1.00 0.00 C ATOM 1000 CD2 LEU A 65 2.793 7.031 -6.704 1.00 0.00 C ATOM 0 H LEU A 65 2.935 3.573 -8.450 1.00 0.00 H new ATOM 0 HA LEU A 65 3.307 4.486 -5.793 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.862 4.344 -7.646 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.910 5.268 -6.158 1.00 0.00 H new ATOM 0 HG LEU A 65 3.015 5.636 -8.318 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.698 7.556 -9.139 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.815 6.025 -9.347 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.382 7.129 -8.020 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.275 7.848 -7.241 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.995 7.429 -6.077 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.528 6.525 -6.078 1.00 0.00 H new ATOM 1012 N ARG A 66 2.057 1.615 -5.944 1.00 0.00 N ATOM 1013 CA ARG A 66 1.517 0.475 -5.233 1.00 0.00 C ATOM 1014 C ARG A 66 2.553 -0.015 -4.236 1.00 0.00 C ATOM 1015 O ARG A 66 2.253 -0.773 -3.319 1.00 0.00 O ATOM 1016 CB ARG A 66 1.282 -0.573 -6.312 1.00 0.00 C ATOM 1017 CG ARG A 66 0.220 -0.079 -7.284 1.00 0.00 C ATOM 1018 CD ARG A 66 -0.017 -1.157 -8.330 1.00 0.00 C ATOM 1019 NE ARG A 66 -0.668 -2.340 -7.752 1.00 0.00 N ATOM 1020 CZ ARG A 66 -1.248 -3.311 -8.462 1.00 0.00 C ATOM 1021 NH1 ARG A 66 -1.276 -3.261 -9.792 1.00 0.00 N ATOM 1022 NH2 ARG A 66 -1.807 -4.345 -7.843 1.00 0.00 N ATOM 0 H ARG A 66 2.542 1.355 -6.803 1.00 0.00 H new ATOM 0 HA ARG A 66 0.604 0.702 -4.682 1.00 0.00 H new ATOM 0 HB2 ARG A 66 2.211 -0.775 -6.845 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.965 -1.512 -5.858 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -0.706 0.143 -6.753 1.00 0.00 H new ATOM 0 HG3 ARG A 66 0.544 0.846 -7.761 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -0.637 -0.756 -9.132 1.00 0.00 H new ATOM 0 HD3 ARG A 66 0.934 -1.447 -8.776 1.00 0.00 H new ATOM 0 HE ARG A 66 -0.678 -2.426 -6.736 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.851 -2.474 -10.282 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -1.723 -4.010 -10.321 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -1.793 -4.398 -6.824 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -2.250 -5.086 -8.386 1.00 0.00 H new ATOM 1036 N TYR A 67 3.782 0.447 -4.457 1.00 0.00 N ATOM 1037 CA TYR A 67 4.970 0.043 -3.734 1.00 0.00 C ATOM 1038 C TYR A 67 5.687 1.169 -2.985 1.00 0.00 C ATOM 1039 O TYR A 67 6.600 0.890 -2.213 1.00 0.00 O ATOM 1040 CB TYR A 67 5.870 -0.555 -4.803 1.00 0.00 C ATOM 1041 CG TYR A 67 5.114 -1.588 -5.604 1.00 0.00 C ATOM 1042 CD1 TYR A 67 4.808 -2.841 -5.060 1.00 0.00 C ATOM 1043 CD2 TYR A 67 4.685 -1.260 -6.891 1.00 0.00 C ATOM 1044 CE1 TYR A 67 4.094 -3.780 -5.820 1.00 0.00 C ATOM 1045 CE2 TYR A 67 3.951 -2.177 -7.650 1.00 0.00 C ATOM 1046 CZ TYR A 67 3.658 -3.451 -7.122 1.00 0.00 C ATOM 1047 OH TYR A 67 2.953 -4.358 -7.857 1.00 0.00 O ATOM 0 H TYR A 67 3.978 1.142 -5.177 1.00 0.00 H new ATOM 0 HA TYR A 67 4.702 -0.651 -2.937 1.00 0.00 H new ATOM 0 HB2 TYR A 67 6.235 0.232 -5.463 1.00 0.00 H new ATOM 0 HB3 TYR A 67 6.744 -1.012 -4.339 1.00 0.00 H new ATOM 0 HD1 TYR A 67 5.121 -3.085 -4.056 1.00 0.00 H new ATOM 0 HD2 TYR A 67 4.922 -0.291 -7.304 1.00 0.00 H new ATOM 0 HE1 TYR A 67 3.878 -4.755 -5.409 1.00 0.00 H new ATOM 0 HE2 TYR A 67 3.609 -1.910 -8.639 1.00 0.00 H new ATOM 0 HH TYR A 67 3.474 -4.615 -8.647 1.00 0.00 H new ATOM 1057 N THR A 68 5.296 2.431 -3.187 1.00 0.00 N ATOM 1058 CA THR A 68 5.914 3.562 -2.496 1.00 0.00 C ATOM 1059 C THR A 68 5.308 3.784 -1.109 1.00 0.00 C ATOM 1060 O THR A 68 5.361 4.891 -0.576 1.00 0.00 O ATOM 1061 CB THR A 68 5.798 4.831 -3.339 1.00 0.00 C ATOM 1062 OG1 THR A 68 4.461 5.022 -3.753 1.00 0.00 O ATOM 1063 CG2 THR A 68 6.697 4.721 -4.569 1.00 0.00 C ATOM 0 H THR A 68 4.548 2.694 -3.829 1.00 0.00 H new ATOM 0 HA THR A 68 6.969 3.324 -2.357 1.00 0.00 H new ATOM 0 HB THR A 68 6.111 5.682 -2.733 1.00 0.00 H new ATOM 0 HG1 THR A 68 4.030 5.684 -3.173 1.00 0.00 H new ATOM 0 HG21 THR A 68 6.610 5.629 -5.166 1.00 0.00 H new ATOM 0 HG22 THR A 68 7.732 4.593 -4.253 1.00 0.00 H new ATOM 0 HG23 THR A 68 6.391 3.863 -5.167 1.00 0.00 H new ATOM 1071 N SER A 69 4.724 2.735 -0.521 1.00 0.00 N ATOM 1072 CA SER A 69 4.090 2.769 0.794 1.00 0.00 C ATOM 1073 C SER A 69 5.056 3.068 1.947 1.00 0.00 C ATOM 1074 O SER A 69 4.652 3.029 3.108 1.00 0.00 O ATOM 1075 CB SER A 69 3.437 1.415 1.046 1.00 0.00 C ATOM 1076 OG SER A 69 2.425 1.172 0.093 1.00 0.00 O ATOM 0 H SER A 69 4.680 1.816 -0.961 1.00 0.00 H new ATOM 0 HA SER A 69 3.367 3.584 0.775 1.00 0.00 H new ATOM 0 HB2 SER A 69 4.188 0.627 0.997 1.00 0.00 H new ATOM 0 HB3 SER A 69 3.014 1.390 2.050 1.00 0.00 H new ATOM 0 HG SER A 69 2.016 0.299 0.266 1.00 0.00 H new ATOM 1082 N THR A 70 6.319 3.363 1.641 1.00 0.00 N ATOM 1083 CA THR A 70 7.349 3.627 2.641 1.00 0.00 C ATOM 1084 C THR A 70 8.238 4.800 2.226 1.00 0.00 C ATOM 1085 O THR A 70 8.353 5.120 1.043 1.00 0.00 O ATOM 1086 CB THR A 70 8.170 2.349 2.859 1.00 0.00 C ATOM 1087 OG1 THR A 70 9.242 2.608 3.734 1.00 0.00 O ATOM 1088 CG2 THR A 70 8.713 1.808 1.536 1.00 0.00 C ATOM 0 H THR A 70 6.658 3.426 0.681 1.00 0.00 H new ATOM 0 HA THR A 70 6.875 3.911 3.581 1.00 0.00 H new ATOM 0 HB THR A 70 7.511 1.598 3.296 1.00 0.00 H new ATOM 0 HG1 THR A 70 9.760 1.787 3.869 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.290 0.902 1.723 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.882 1.578 0.869 1.00 0.00 H new ATOM 0 HG23 THR A 70 9.354 2.558 1.072 1.00 0.00 H new ATOM 1096 N ALA A 71 8.871 5.445 3.214 1.00 0.00 N ATOM 1097 CA ALA A 71 9.648 6.662 3.010 1.00 0.00 C ATOM 1098 C ALA A 71 11.011 6.413 2.357 1.00 0.00 C ATOM 1099 O ALA A 71 11.706 7.370 2.029 1.00 0.00 O ATOM 1100 CB ALA A 71 9.822 7.374 4.350 1.00 0.00 C ATOM 0 H ALA A 71 8.855 5.130 4.184 1.00 0.00 H new ATOM 0 HA ALA A 71 9.092 7.289 2.313 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.402 8.285 4.205 1.00 0.00 H new ATOM 0 HB2 ALA A 71 8.843 7.628 4.757 1.00 0.00 H new ATOM 0 HB3 ALA A 71 10.345 6.718 5.046 1.00 0.00 H new ATOM 1106 N GLU A 72 11.413 5.154 2.156 1.00 0.00 N ATOM 1107 CA GLU A 72 12.601 4.868 1.364 1.00 0.00 C ATOM 1108 C GLU A 72 12.277 4.983 -0.123 1.00 0.00 C ATOM 1109 O GLU A 72 13.183 5.020 -0.953 1.00 0.00 O ATOM 1110 CB GLU A 72 13.111 3.459 1.661 1.00 0.00 C ATOM 1111 CG GLU A 72 12.040 2.399 1.432 1.00 0.00 C ATOM 1112 CD GLU A 72 12.529 1.021 1.877 1.00 0.00 C ATOM 1113 OE1 GLU A 72 13.332 0.421 1.129 1.00 0.00 O ATOM 1114 OE2 GLU A 72 12.094 0.574 2.962 1.00 0.00 O ATOM 0 H GLU A 72 10.938 4.331 2.527 1.00 0.00 H new ATOM 0 HA GLU A 72 13.373 5.591 1.626 1.00 0.00 H new ATOM 0 HB2 GLU A 72 13.972 3.245 1.028 1.00 0.00 H new ATOM 0 HB3 GLU A 72 13.454 3.409 2.694 1.00 0.00 H new ATOM 0 HG2 GLU A 72 11.138 2.664 1.983 1.00 0.00 H new ATOM 0 HG3 GLU A 72 11.772 2.370 0.376 1.00 0.00 H new ATOM 1121 N HIS A 73 10.981 5.041 -0.450 1.00 0.00 N ATOM 1122 CA HIS A 73 10.499 5.029 -1.819 1.00 0.00 C ATOM 1123 C HIS A 73 9.737 6.312 -2.162 1.00 0.00 C ATOM 1124 O HIS A 73 9.195 6.436 -3.258 1.00 0.00 O ATOM 1125 CB HIS A 73 9.613 3.799 -2.029 1.00 0.00 C ATOM 1126 CG HIS A 73 10.351 2.487 -2.039 1.00 0.00 C ATOM 1127 ND1 HIS A 73 9.749 1.227 -2.067 1.00 0.00 N ATOM 1128 CD2 HIS A 73 11.704 2.334 -2.037 1.00 0.00 C ATOM 1129 CE1 HIS A 73 10.761 0.347 -2.103 1.00 0.00 C ATOM 1130 NE2 HIS A 73 11.946 0.981 -2.078 1.00 0.00 N ATOM 0 H HIS A 73 10.235 5.098 0.244 1.00 0.00 H new ATOM 0 HA HIS A 73 11.357 4.980 -2.490 1.00 0.00 H new ATOM 0 HB2 HIS A 73 8.861 3.771 -1.241 1.00 0.00 H new ATOM 0 HB3 HIS A 73 9.081 3.908 -2.974 1.00 0.00 H new ATOM 0 HD1 HIS A 73 8.750 1.020 -2.061 1.00 0.00 H new ATOM 0 HD2 HIS A 73 12.443 3.121 -2.009 1.00 0.00 H new ATOM 0 HE1 HIS A 73 10.640 -0.725 -2.146 1.00 0.00 H new ATOM 1138 N VAL A 74 9.693 7.275 -1.241 1.00 0.00 N ATOM 1139 CA VAL A 74 9.074 8.569 -1.498 1.00 0.00 C ATOM 1140 C VAL A 74 9.743 9.255 -2.688 1.00 0.00 C ATOM 1141 O VAL A 74 9.113 10.024 -3.413 1.00 0.00 O ATOM 1142 CB VAL A 74 9.199 9.436 -0.244 1.00 0.00 C ATOM 1143 CG1 VAL A 74 10.658 9.690 0.136 1.00 0.00 C ATOM 1144 CG2 VAL A 74 8.531 10.784 -0.480 1.00 0.00 C ATOM 0 H VAL A 74 10.083 7.178 -0.304 1.00 0.00 H new ATOM 0 HA VAL A 74 8.021 8.426 -1.740 1.00 0.00 H new ATOM 0 HB VAL A 74 8.714 8.894 0.568 1.00 0.00 H new ATOM 0 HG11 VAL A 74 10.698 10.310 1.032 1.00 0.00 H new ATOM 0 HG12 VAL A 74 11.154 8.739 0.330 1.00 0.00 H new ATOM 0 HG13 VAL A 74 11.163 10.203 -0.683 1.00 0.00 H new ATOM 0 HG21 VAL A 74 8.623 11.398 0.416 1.00 0.00 H new ATOM 0 HG22 VAL A 74 9.015 11.288 -1.316 1.00 0.00 H new ATOM 0 HG23 VAL A 74 7.476 10.632 -0.709 1.00 0.00 H new ATOM 1154 N ALA A 75 11.028 8.959 -2.876 1.00 0.00 N ATOM 1155 CA ALA A 75 11.827 9.470 -3.975 1.00 0.00 C ATOM 1156 C ALA A 75 11.191 9.126 -5.308 1.00 0.00 C ATOM 1157 O ALA A 75 11.145 9.934 -6.235 1.00 0.00 O ATOM 1158 CB ALA A 75 13.165 8.744 -3.931 1.00 0.00 C ATOM 0 H ALA A 75 11.549 8.343 -2.252 1.00 0.00 H new ATOM 0 HA ALA A 75 11.920 10.552 -3.880 1.00 0.00 H new ATOM 0 HB1 ALA A 75 13.799 9.100 -4.743 1.00 0.00 H new ATOM 0 HB2 ALA A 75 13.654 8.940 -2.977 1.00 0.00 H new ATOM 0 HB3 ALA A 75 13.001 7.672 -4.041 1.00 0.00 H new ATOM 1164 N ILE A 76 10.702 7.894 -5.371 1.00 0.00 N ATOM 1165 CA ILE A 76 10.158 7.290 -6.559 1.00 0.00 C ATOM 1166 C ILE A 76 8.719 7.713 -6.746 1.00 0.00 C ATOM 1167 O ILE A 76 8.255 7.885 -7.872 1.00 0.00 O ATOM 1168 CB ILE A 76 10.228 5.792 -6.330 1.00 0.00 C ATOM 1169 CG1 ILE A 76 11.690 5.376 -6.260 1.00 0.00 C ATOM 1170 CG2 ILE A 76 9.504 5.087 -7.453 1.00 0.00 C ATOM 1171 CD1 ILE A 76 12.264 4.991 -7.612 1.00 0.00 C ATOM 0 H ILE A 76 10.677 7.274 -4.562 1.00 0.00 H new ATOM 0 HA ILE A 76 10.710 7.591 -7.450 1.00 0.00 H new ATOM 0 HB ILE A 76 9.746 5.518 -5.391 1.00 0.00 H new ATOM 0 HG12 ILE A 76 12.275 6.196 -5.843 1.00 0.00 H new ATOM 0 HG13 ILE A 76 11.790 4.533 -5.576 1.00 0.00 H new ATOM 0 HG21 ILE A 76 9.550 4.009 -7.296 1.00 0.00 H new ATOM 0 HG22 ILE A 76 8.462 5.407 -7.472 1.00 0.00 H new ATOM 0 HG23 ILE A 76 9.977 5.335 -8.403 1.00 0.00 H new ATOM 0 HD11 ILE A 76 13.309 4.704 -7.495 1.00 0.00 H new ATOM 0 HD12 ILE A 76 11.701 4.152 -8.021 1.00 0.00 H new ATOM 0 HD13 ILE A 76 12.194 5.840 -8.292 1.00 0.00 H new ATOM 1183 N ARG A 77 8.006 7.885 -5.633 1.00 0.00 N ATOM 1184 CA ARG A 77 6.624 8.344 -5.664 1.00 0.00 C ATOM 1185 C ARG A 77 6.535 9.660 -6.425 1.00 0.00 C ATOM 1186 O ARG A 77 5.510 9.994 -7.012 1.00 0.00 O ATOM 1187 CB ARG A 77 6.134 8.531 -4.235 1.00 0.00 C ATOM 1188 CG ARG A 77 4.614 8.665 -4.224 1.00 0.00 C ATOM 1189 CD ARG A 77 4.235 9.452 -2.979 1.00 0.00 C ATOM 1190 NE ARG A 77 2.781 9.597 -2.853 1.00 0.00 N ATOM 1191 CZ ARG A 77 2.054 10.529 -3.478 1.00 0.00 C ATOM 1192 NH1 ARG A 77 2.627 11.413 -4.291 1.00 0.00 N ATOM 1193 NH2 ARG A 77 0.739 10.579 -3.290 1.00 0.00 N ATOM 0 H ARG A 77 8.368 7.711 -4.695 1.00 0.00 H new ATOM 0 HA ARG A 77 6.000 7.607 -6.169 1.00 0.00 H new ATOM 0 HB2 ARG A 77 6.438 7.682 -3.622 1.00 0.00 H new ATOM 0 HB3 ARG A 77 6.590 9.419 -3.798 1.00 0.00 H new ATOM 0 HG2 ARG A 77 4.267 9.177 -5.122 1.00 0.00 H new ATOM 0 HG3 ARG A 77 4.142 7.682 -4.215 1.00 0.00 H new ATOM 0 HD2 ARG A 77 4.629 8.949 -2.096 1.00 0.00 H new ATOM 0 HD3 ARG A 77 4.698 10.438 -3.017 1.00 0.00 H new ATOM 0 HE ARG A 77 2.290 8.941 -2.246 1.00 0.00 H new ATOM 0 HH11 ARG A 77 3.635 11.386 -4.445 1.00 0.00 H new ATOM 0 HH12 ARG A 77 2.058 12.118 -4.760 1.00 0.00 H new ATOM 0 HH21 ARG A 77 0.287 9.907 -2.670 1.00 0.00 H new ATOM 0 HH22 ARG A 77 0.182 11.289 -3.766 1.00 0.00 H new ATOM 1207 N SER A 78 7.638 10.401 -6.403 1.00 0.00 N ATOM 1208 CA SER A 78 7.772 11.682 -7.077 1.00 0.00 C ATOM 1209 C SER A 78 7.959 11.498 -8.580 1.00 0.00 C ATOM 1210 O SER A 78 7.616 12.388 -9.360 1.00 0.00 O ATOM 1211 CB SER A 78 9.002 12.369 -6.481 1.00 0.00 C ATOM 1212 OG SER A 78 9.075 13.711 -6.910 1.00 0.00 O ATOM 0 H SER A 78 8.481 10.119 -5.904 1.00 0.00 H new ATOM 0 HA SER A 78 6.871 12.279 -6.935 1.00 0.00 H new ATOM 0 HB2 SER A 78 8.955 12.331 -5.393 1.00 0.00 H new ATOM 0 HB3 SER A 78 9.904 11.836 -6.780 1.00 0.00 H new ATOM 0 HG SER A 78 9.866 14.137 -6.519 1.00 0.00 H new ATOM 1218 N LYS A 79 8.497 10.346 -8.999 1.00 0.00 N ATOM 1219 CA LYS A 79 8.749 10.067 -10.405 1.00 0.00 C ATOM 1220 C LYS A 79 7.560 9.364 -11.042 1.00 0.00 C ATOM 1221 O LYS A 79 7.274 9.566 -12.220 1.00 0.00 O ATOM 1222 CB LYS A 79 9.997 9.192 -10.492 1.00 0.00 C ATOM 1223 CG LYS A 79 11.186 9.993 -9.973 1.00 0.00 C ATOM 1224 CD LYS A 79 12.469 9.179 -10.074 1.00 0.00 C ATOM 1225 CE LYS A 79 13.605 10.059 -9.573 1.00 0.00 C ATOM 1226 NZ LYS A 79 14.910 9.411 -9.788 1.00 0.00 N ATOM 0 H LYS A 79 8.766 9.589 -8.371 1.00 0.00 H new ATOM 0 HA LYS A 79 8.901 11.000 -10.947 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.865 8.285 -9.903 1.00 0.00 H new ATOM 0 HB3 LYS A 79 10.170 8.881 -11.522 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.288 10.914 -10.546 1.00 0.00 H new ATOM 0 HG3 LYS A 79 11.012 10.280 -8.936 1.00 0.00 H new ATOM 0 HD2 LYS A 79 12.395 8.270 -9.477 1.00 0.00 H new ATOM 0 HD3 LYS A 79 12.648 8.870 -11.104 1.00 0.00 H new ATOM 0 HE2 LYS A 79 13.582 11.018 -10.090 1.00 0.00 H new ATOM 0 HE3 LYS A 79 13.468 10.266 -8.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 15.560 9.677 -9.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 14.788 8.378 -9.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 15.305 9.719 -10.700 1.00 0.00 H new ATOM 1240 N LEU A 80 6.861 8.541 -10.265 1.00 0.00 N ATOM 1241 CA LEU A 80 5.670 7.825 -10.697 1.00 0.00 C ATOM 1242 C LEU A 80 4.544 8.782 -11.085 1.00 0.00 C ATOM 1243 O LEU A 80 3.540 8.362 -11.651 1.00 0.00 O ATOM 1244 CB LEU A 80 5.205 6.966 -9.526 1.00 0.00 C ATOM 1245 CG LEU A 80 5.968 5.644 -9.350 1.00 0.00 C ATOM 1246 CD1 LEU A 80 7.337 5.556 -10.014 1.00 0.00 C ATOM 1247 CD2 LEU A 80 6.069 5.368 -7.854 1.00 0.00 C ATOM 0 H LEU A 80 7.115 8.351 -9.296 1.00 0.00 H new ATOM 0 HA LEU A 80 5.912 7.225 -11.574 1.00 0.00 H new ATOM 0 HB2 LEU A 80 5.298 7.547 -8.609 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.146 6.743 -9.656 1.00 0.00 H new ATOM 0 HG LEU A 80 5.395 4.882 -9.878 1.00 0.00 H new ATOM 0 HD11 LEU A 80 7.774 4.577 -9.818 1.00 0.00 H new ATOM 0 HD12 LEU A 80 7.229 5.697 -11.090 1.00 0.00 H new ATOM 0 HD13 LEU A 80 7.988 6.331 -9.610 1.00 0.00 H new ATOM 0 HD21 LEU A 80 6.607 4.434 -7.692 1.00 0.00 H new ATOM 0 HD22 LEU A 80 6.605 6.184 -7.369 1.00 0.00 H new ATOM 0 HD23 LEU A 80 5.068 5.289 -7.430 1.00 0.00 H new ATOM 1259 N GLN A 81 4.715 10.066 -10.778 1.00 0.00 N ATOM 1260 CA GLN A 81 3.817 11.148 -11.086 1.00 0.00 C ATOM 1261 C GLN A 81 4.293 12.017 -12.251 1.00 0.00 C ATOM 1262 O GLN A 81 3.463 12.574 -12.963 1.00 0.00 O ATOM 1263 CB GLN A 81 3.842 11.971 -9.802 1.00 0.00 C ATOM 1264 CG GLN A 81 2.681 11.655 -8.882 1.00 0.00 C ATOM 1265 CD GLN A 81 2.303 10.192 -8.855 1.00 0.00 C ATOM 1266 OE1 GLN A 81 1.255 9.806 -9.356 1.00 0.00 O ATOM 1267 NE2 GLN A 81 3.164 9.381 -8.263 1.00 0.00 N ATOM 0 H GLN A 81 5.542 10.386 -10.275 1.00 0.00 H new ATOM 0 HA GLN A 81 2.836 10.781 -11.389 1.00 0.00 H new ATOM 0 HB2 GLN A 81 4.778 11.786 -9.275 1.00 0.00 H new ATOM 0 HB3 GLN A 81 3.822 13.031 -10.054 1.00 0.00 H new ATOM 0 HG2 GLN A 81 2.934 11.974 -7.871 1.00 0.00 H new ATOM 0 HG3 GLN A 81 1.814 12.239 -9.193 1.00 0.00 H new ATOM 0 HE21 GLN A 81 4.024 9.755 -7.861 1.00 0.00 H new ATOM 0 HE22 GLN A 81 2.968 8.381 -8.208 1.00 0.00 H new ATOM 1276 N TYR A 82 5.604 12.154 -12.467 1.00 0.00 N ATOM 1277 CA TYR A 82 6.099 13.027 -13.518 1.00 0.00 C ATOM 1278 C TYR A 82 6.043 12.400 -14.910 1.00 0.00 C ATOM 1279 O TYR A 82 5.410 12.958 -15.804 1.00 0.00 O ATOM 1280 CB TYR A 82 7.533 13.402 -13.191 1.00 0.00 C ATOM 1281 CG TYR A 82 8.316 13.946 -14.363 1.00 0.00 C ATOM 1282 CD1 TYR A 82 8.216 15.297 -14.723 1.00 0.00 C ATOM 1283 CD2 TYR A 82 9.161 13.089 -15.082 1.00 0.00 C ATOM 1284 CE1 TYR A 82 8.990 15.803 -15.776 1.00 0.00 C ATOM 1285 CE2 TYR A 82 9.956 13.589 -16.124 1.00 0.00 C ATOM 1286 CZ TYR A 82 9.866 14.951 -16.477 1.00 0.00 C ATOM 1287 OH TYR A 82 10.627 15.446 -17.497 1.00 0.00 O ATOM 0 H TYR A 82 6.329 11.675 -11.932 1.00 0.00 H new ATOM 0 HA TYR A 82 5.449 13.902 -13.549 1.00 0.00 H new ATOM 0 HB2 TYR A 82 7.529 14.146 -12.395 1.00 0.00 H new ATOM 0 HB3 TYR A 82 8.047 12.523 -12.803 1.00 0.00 H new ATOM 0 HD1 TYR A 82 7.541 15.949 -14.188 1.00 0.00 H new ATOM 0 HD2 TYR A 82 9.200 12.039 -14.832 1.00 0.00 H new ATOM 0 HE1 TYR A 82 8.915 16.845 -16.050 1.00 0.00 H new ATOM 0 HE2 TYR A 82 10.633 12.934 -16.653 1.00 0.00 H new ATOM 0 HH TYR A 82 11.177 14.727 -17.874 1.00 0.00 H new ATOM 1297 N ARG A 83 6.689 11.247 -15.115 1.00 0.00 N ATOM 1298 CA ARG A 83 6.683 10.645 -16.445 1.00 0.00 C ATOM 1299 C ARG A 83 5.303 10.091 -16.738 1.00 0.00 C ATOM 1300 O ARG A 83 4.966 9.824 -17.887 1.00 0.00 O ATOM 1301 CB ARG A 83 7.706 9.527 -16.614 1.00 0.00 C ATOM 1302 CG ARG A 83 9.079 9.668 -15.972 1.00 0.00 C ATOM 1303 CD ARG A 83 9.014 9.370 -14.474 1.00 0.00 C ATOM 1304 NE ARG A 83 10.364 9.106 -13.973 1.00 0.00 N ATOM 1305 CZ ARG A 83 10.828 7.886 -13.703 1.00 0.00 C ATOM 1306 NH1 ARG A 83 10.058 6.816 -13.881 1.00 0.00 N ATOM 1307 NH2 ARG A 83 12.068 7.728 -13.251 1.00 0.00 N ATOM 0 H ARG A 83 7.204 10.730 -14.403 1.00 0.00 H new ATOM 0 HA ARG A 83 6.954 11.436 -17.144 1.00 0.00 H new ATOM 0 HB2 ARG A 83 7.257 8.612 -16.229 1.00 0.00 H new ATOM 0 HB3 ARG A 83 7.858 9.382 -17.683 1.00 0.00 H new ATOM 0 HG2 ARG A 83 9.781 8.987 -16.452 1.00 0.00 H new ATOM 0 HG3 ARG A 83 9.457 10.678 -16.130 1.00 0.00 H new ATOM 0 HD2 ARG A 83 8.575 10.215 -13.942 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.371 8.509 -14.291 1.00 0.00 H new ATOM 0 HE ARG A 83 10.985 9.901 -13.822 1.00 0.00 H new ATOM 0 HH11 ARG A 83 9.105 6.926 -14.227 1.00 0.00 H new ATOM 0 HH12 ARG A 83 10.421 5.886 -13.672 1.00 0.00 H new ATOM 0 HH21 ARG A 83 12.667 8.541 -13.110 1.00 0.00 H new ATOM 0 HH22 ARG A 83 12.421 6.793 -13.045 1.00 0.00 H new ATOM 1321 N LEU A 84 4.512 9.926 -15.681 1.00 0.00 N ATOM 1322 CA LEU A 84 3.148 9.456 -15.778 1.00 0.00 C ATOM 1323 C LEU A 84 2.309 10.480 -16.528 1.00 0.00 C ATOM 1324 O LEU A 84 1.387 10.110 -17.240 1.00 0.00 O ATOM 1325 CB LEU A 84 2.612 9.279 -14.356 1.00 0.00 C ATOM 1326 CG LEU A 84 1.092 9.139 -14.283 1.00 0.00 C ATOM 1327 CD1 LEU A 84 0.577 7.983 -15.150 1.00 0.00 C ATOM 1328 CD2 LEU A 84 0.713 8.921 -12.818 1.00 0.00 C ATOM 0 H LEU A 84 4.811 10.119 -14.725 1.00 0.00 H new ATOM 0 HA LEU A 84 3.103 8.510 -16.318 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.071 8.395 -13.912 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.918 10.134 -13.753 1.00 0.00 H new ATOM 0 HG LEU A 84 0.629 10.046 -14.672 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.508 7.921 -15.067 1.00 0.00 H new ATOM 0 HD12 LEU A 84 0.852 8.158 -16.190 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.021 7.047 -14.810 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.369 8.817 -12.734 1.00 0.00 H new ATOM 0 HD22 LEU A 84 1.194 8.015 -12.449 1.00 0.00 H new ATOM 0 HD23 LEU A 84 1.043 9.775 -12.226 1.00 0.00 H new ATOM 1340 N GLU A 85 2.627 11.763 -16.371 1.00 0.00 N ATOM 1341 CA GLU A 85 1.849 12.830 -16.973 1.00 0.00 C ATOM 1342 C GLU A 85 2.296 13.122 -18.398 1.00 0.00 C ATOM 1343 O GLU A 85 1.467 13.366 -19.276 1.00 0.00 O ATOM 1344 CB GLU A 85 2.052 14.079 -16.132 1.00 0.00 C ATOM 1345 CG GLU A 85 1.271 13.917 -14.835 1.00 0.00 C ATOM 1346 CD GLU A 85 -0.232 14.067 -15.064 1.00 0.00 C ATOM 1347 OE1 GLU A 85 -0.672 15.220 -15.276 1.00 0.00 O ATOM 1348 OE2 GLU A 85 -0.930 13.031 -15.028 1.00 0.00 O ATOM 0 H GLU A 85 3.427 12.085 -15.826 1.00 0.00 H new ATOM 0 HA GLU A 85 0.802 12.527 -17.008 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.111 14.226 -15.921 1.00 0.00 H new ATOM 0 HB3 GLU A 85 1.709 14.961 -16.674 1.00 0.00 H new ATOM 0 HG2 GLU A 85 1.478 12.938 -14.404 1.00 0.00 H new ATOM 0 HG3 GLU A 85 1.606 14.661 -14.112 1.00 0.00 H new ATOM 1355 N LEU A 86 3.610 13.094 -18.627 1.00 0.00 N ATOM 1356 CA LEU A 86 4.175 13.447 -19.919 1.00 0.00 C ATOM 1357 C LEU A 86 3.899 12.368 -20.966 1.00 0.00 C ATOM 1358 O LEU A 86 3.590 12.684 -22.113 1.00 0.00 O ATOM 1359 CB LEU A 86 5.675 13.715 -19.739 1.00 0.00 C ATOM 1360 CG LEU A 86 6.545 12.455 -19.816 1.00 0.00 C ATOM 1361 CD1 LEU A 86 6.928 12.163 -21.273 1.00 0.00 C ATOM 1362 CD2 LEU A 86 7.818 12.640 -18.991 1.00 0.00 C ATOM 0 H LEU A 86 4.302 12.828 -17.926 1.00 0.00 H new ATOM 0 HA LEU A 86 3.698 14.352 -20.295 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.003 14.418 -20.505 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.835 14.197 -18.774 1.00 0.00 H new ATOM 0 HG LEU A 86 5.972 11.618 -19.416 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.546 11.266 -21.314 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.024 12.009 -21.863 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.486 13.007 -21.679 1.00 0.00 H new ATOM 0 HD21 LEU A 86 8.427 11.738 -19.054 1.00 0.00 H new ATOM 0 HD22 LEU A 86 8.383 13.487 -19.379 1.00 0.00 H new ATOM 0 HD23 LEU A 86 7.553 12.827 -17.950 1.00 0.00 H new ATOM 1374 N ALA A 87 4.010 11.098 -20.566 1.00 0.00 N ATOM 1375 CA ALA A 87 3.833 9.955 -21.415 1.00 0.00 C ATOM 1376 C ALA A 87 2.439 9.999 -22.031 1.00 0.00 C ATOM 1377 O ALA A 87 2.313 10.113 -23.244 1.00 0.00 O ATOM 1378 CB ALA A 87 4.024 8.724 -20.529 1.00 0.00 C ATOM 0 H ALA A 87 4.234 10.847 -19.603 1.00 0.00 H new ATOM 0 HA ALA A 87 4.547 9.933 -22.238 1.00 0.00 H new ATOM 0 HB1 ALA A 87 3.899 7.822 -21.128 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.025 8.738 -20.098 1.00 0.00 H new ATOM 0 HB3 ALA A 87 3.284 8.733 -19.729 1.00 0.00 H new ATOM 1384 N GLN A 88 1.385 9.915 -21.211 1.00 0.00 N ATOM 1385 CA GLN A 88 0.018 9.957 -21.714 1.00 0.00 C ATOM 1386 C GLN A 88 -0.302 11.264 -22.431 1.00 0.00 C ATOM 1387 O GLN A 88 -1.246 11.333 -23.215 1.00 0.00 O ATOM 1388 CB GLN A 88 -0.989 9.734 -20.597 1.00 0.00 C ATOM 1389 CG GLN A 88 -0.795 10.668 -19.411 1.00 0.00 C ATOM 1390 CD GLN A 88 -1.822 10.377 -18.321 1.00 0.00 C ATOM 1391 OE1 GLN A 88 -3.020 10.563 -18.520 1.00 0.00 O ATOM 1392 NE2 GLN A 88 -1.360 9.919 -17.162 1.00 0.00 N ATOM 0 H GLN A 88 1.458 9.818 -20.198 1.00 0.00 H new ATOM 0 HA GLN A 88 -0.060 9.147 -22.439 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -1.995 9.867 -20.994 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -0.916 8.702 -20.253 1.00 0.00 H new ATOM 0 HG2 GLN A 88 0.212 10.550 -19.010 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -0.888 11.704 -19.738 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -0.358 9.777 -17.033 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -2.007 9.710 -16.402 1.00 0.00 H new ATOM 1401 N GLY A 89 0.488 12.300 -22.157 1.00 0.00 N ATOM 1402 CA GLY A 89 0.344 13.593 -22.796 1.00 0.00 C ATOM 1403 C GLY A 89 1.062 13.607 -24.145 1.00 0.00 C ATOM 1404 O GLY A 89 1.136 14.645 -24.800 1.00 0.00 O ATOM 0 H GLY A 89 1.249 12.259 -21.480 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -0.713 13.819 -22.938 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.753 14.371 -22.152 1.00 0.00 H new ATOM 1408 N ALA A 90 1.588 12.447 -24.548 1.00 0.00 N ATOM 1409 CA ALA A 90 2.250 12.235 -25.823 1.00 0.00 C ATOM 1410 C ALA A 90 1.718 10.964 -26.496 1.00 0.00 C ATOM 1411 O ALA A 90 2.189 10.587 -27.568 1.00 0.00 O ATOM 1412 CB ALA A 90 3.748 12.114 -25.581 1.00 0.00 C ATOM 0 H ALA A 90 1.560 11.606 -23.971 1.00 0.00 H new ATOM 0 HA ALA A 90 2.050 13.078 -26.484 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.258 11.954 -26.531 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.117 13.030 -25.120 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.943 11.271 -24.918 1.00 0.00 H new ATOM 1418 N VAL A 91 0.737 10.306 -25.867 1.00 0.00 N ATOM 1419 CA VAL A 91 0.191 9.024 -26.305 1.00 0.00 C ATOM 1420 C VAL A 91 -1.190 9.158 -26.902 1.00 0.00 C ATOM 1421 O VAL A 91 -1.913 10.120 -26.641 1.00 0.00 O ATOM 1422 CB VAL A 91 0.174 8.097 -25.105 1.00 0.00 C ATOM 1423 CG1 VAL A 91 -0.408 6.692 -25.177 1.00 0.00 C ATOM 1424 CG2 VAL A 91 1.599 7.747 -24.889 1.00 0.00 C ATOM 0 H VAL A 91 0.293 10.662 -25.020 1.00 0.00 H new ATOM 0 HA VAL A 91 0.820 8.619 -27.098 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.431 8.659 -24.394 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.315 6.209 -24.204 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.461 6.748 -25.455 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.134 6.112 -25.924 1.00 0.00 H new ATOM 0 HG21 VAL A 91 1.683 7.075 -24.035 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.992 7.254 -25.779 1.00 0.00 H new ATOM 0 HG23 VAL A 91 2.171 8.654 -24.695 1.00 0.00 H new ATOM 1434 N GLY A 92 -1.542 8.166 -27.718 1.00 0.00 N ATOM 1435 CA GLY A 92 -2.819 8.131 -28.393 1.00 0.00 C ATOM 1436 C GLY A 92 -2.907 9.199 -29.487 1.00 0.00 C ATOM 1437 O GLY A 92 -3.974 9.394 -30.067 1.00 0.00 O ATOM 0 H GLY A 92 -0.942 7.367 -27.924 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -2.972 7.145 -28.833 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -3.619 8.285 -27.668 1.00 0.00 H new ATOM 1441 N SER A 93 -1.791 9.885 -29.768 1.00 0.00 N ATOM 1442 CA SER A 93 -1.733 10.958 -30.749 1.00 0.00 C ATOM 1443 C SER A 93 -0.407 10.909 -31.488 1.00 0.00 C ATOM 1444 O SER A 93 0.622 11.326 -30.960 1.00 0.00 O ATOM 1445 CB SER A 93 -1.877 12.308 -30.050 1.00 0.00 C ATOM 1446 OG SER A 93 -3.127 12.400 -29.396 1.00 0.00 O ATOM 0 H SER A 93 -0.897 9.703 -29.311 1.00 0.00 H new ATOM 0 HA SER A 93 -2.548 10.832 -31.461 1.00 0.00 H new ATOM 0 HB2 SER A 93 -1.072 12.436 -29.327 1.00 0.00 H new ATOM 0 HB3 SER A 93 -1.782 13.113 -30.779 1.00 0.00 H new ATOM 0 HG SER A 93 -3.201 13.271 -28.952 1.00 0.00 H new ATOM 1452 N VAL A 94 -0.445 10.396 -32.720 1.00 0.00 N ATOM 1453 CA VAL A 94 0.725 10.321 -33.578 1.00 0.00 C ATOM 1454 C VAL A 94 0.331 10.702 -34.993 1.00 0.00 C ATOM 1455 O VAL A 94 -0.287 9.931 -35.723 1.00 0.00 O ATOM 1456 CB VAL A 94 1.372 8.940 -33.520 1.00 0.00 C ATOM 1457 CG1 VAL A 94 2.574 8.917 -34.464 1.00 0.00 C ATOM 1458 CG2 VAL A 94 1.852 8.683 -32.093 1.00 0.00 C ATOM 0 H VAL A 94 -1.293 10.022 -33.146 1.00 0.00 H new ATOM 0 HA VAL A 94 1.476 11.026 -33.222 1.00 0.00 H new ATOM 0 HB VAL A 94 0.654 8.175 -33.816 1.00 0.00 H new ATOM 0 HG11 VAL A 94 3.044 7.934 -34.430 1.00 0.00 H new ATOM 0 HG12 VAL A 94 2.242 9.126 -35.481 1.00 0.00 H new ATOM 0 HG13 VAL A 94 3.294 9.674 -34.155 1.00 0.00 H new ATOM 0 HG21 VAL A 94 2.317 7.699 -32.037 1.00 0.00 H new ATOM 0 HG22 VAL A 94 2.579 9.444 -31.811 1.00 0.00 H new ATOM 0 HG23 VAL A 94 1.003 8.722 -31.411 1.00 0.00 H new ATOM 1468 N GLN A 95 0.715 11.926 -35.347 1.00 0.00 N ATOM 1469 CA GLN A 95 0.512 12.541 -36.641 1.00 0.00 C ATOM 1470 C GLN A 95 1.602 12.154 -37.644 1.00 0.00 C ATOM 1471 O GLN A 95 1.620 12.677 -38.757 1.00 0.00 O ATOM 1472 CB GLN A 95 0.554 14.045 -36.401 1.00 0.00 C ATOM 1473 CG GLN A 95 -0.623 14.489 -35.528 1.00 0.00 C ATOM 1474 CD GLN A 95 -0.292 15.778 -34.791 1.00 0.00 C ATOM 1475 OE1 GLN A 95 -0.538 16.872 -35.291 1.00 0.00 O ATOM 1476 NE2 GLN A 95 0.274 15.652 -33.592 1.00 0.00 N ATOM 0 H GLN A 95 1.202 12.543 -34.697 1.00 0.00 H new ATOM 0 HA GLN A 95 -0.434 12.208 -37.068 1.00 0.00 H new ATOM 0 HB2 GLN A 95 1.493 14.315 -35.918 1.00 0.00 H new ATOM 0 HB3 GLN A 95 0.524 14.571 -37.355 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -1.507 14.636 -36.149 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -0.865 13.706 -34.810 1.00 0.00 H new ATOM 0 HE21 GLN A 95 0.462 14.724 -33.212 1.00 0.00 H new ATOM 0 HE22 GLN A 95 0.519 16.483 -33.054 1.00 0.00 H new ATOM 1485 N ILE A 96 2.510 11.248 -37.262 1.00 0.00 N ATOM 1486 CA ILE A 96 3.655 10.867 -38.084 1.00 0.00 C ATOM 1487 C ILE A 96 3.890 9.349 -38.095 1.00 0.00 C ATOM 1488 O ILE A 96 5.036 8.908 -37.981 1.00 0.00 O ATOM 1489 CB ILE A 96 4.907 11.626 -37.613 1.00 0.00 C ATOM 1490 CG1 ILE A 96 5.176 11.384 -36.122 1.00 0.00 C ATOM 1491 CG2 ILE A 96 4.734 13.122 -37.892 1.00 0.00 C ATOM 1492 CD1 ILE A 96 6.483 12.034 -35.671 1.00 0.00 C ATOM 0 H ILE A 96 2.467 10.758 -36.368 1.00 0.00 H new ATOM 0 HA ILE A 96 3.436 11.146 -39.115 1.00 0.00 H new ATOM 0 HB ILE A 96 5.768 11.253 -38.167 1.00 0.00 H new ATOM 0 HG12 ILE A 96 4.349 11.782 -35.534 1.00 0.00 H new ATOM 0 HG13 ILE A 96 5.217 10.312 -35.929 1.00 0.00 H new ATOM 0 HG21 ILE A 96 5.622 13.659 -37.558 1.00 0.00 H new ATOM 0 HG22 ILE A 96 4.596 13.279 -38.962 1.00 0.00 H new ATOM 0 HG23 ILE A 96 3.861 13.494 -37.355 1.00 0.00 H new ATOM 0 HD11 ILE A 96 6.638 11.840 -34.610 1.00 0.00 H new ATOM 0 HD12 ILE A 96 7.313 11.616 -36.241 1.00 0.00 H new ATOM 0 HD13 ILE A 96 6.432 13.110 -35.840 1.00 0.00 H new ATOM 1504 N PRO A 97 2.837 8.526 -38.231 1.00 0.00 N ATOM 1505 CA PRO A 97 2.951 7.077 -38.246 1.00 0.00 C ATOM 1506 C PRO A 97 3.552 6.599 -39.569 1.00 0.00 C ATOM 1507 O PRO A 97 3.923 7.405 -40.423 1.00 0.00 O ATOM 1508 CB PRO A 97 1.516 6.563 -38.097 1.00 0.00 C ATOM 1509 CG PRO A 97 0.697 7.651 -38.785 1.00 0.00 C ATOM 1510 CD PRO A 97 1.451 8.924 -38.411 1.00 0.00 C ATOM 0 HA PRO A 97 3.603 6.712 -37.453 1.00 0.00 H new ATOM 0 HB2 PRO A 97 1.382 5.592 -38.574 1.00 0.00 H new ATOM 0 HB3 PRO A 97 1.235 6.445 -37.051 1.00 0.00 H new ATOM 0 HG2 PRO A 97 0.657 7.506 -39.865 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -0.333 7.670 -38.428 1.00 0.00 H new ATOM 0 HD2 PRO A 97 1.359 9.677 -39.194 1.00 0.00 H new ATOM 0 HD3 PRO A 97 1.049 9.363 -37.498 1.00 0.00 H new ATOM 1518 N VAL A 98 3.642 5.276 -39.735 1.00 0.00 N ATOM 1519 CA VAL A 98 4.096 4.652 -40.973 1.00 0.00 C ATOM 1520 C VAL A 98 3.070 3.608 -41.406 1.00 0.00 C ATOM 1521 O VAL A 98 3.379 2.579 -41.998 1.00 0.00 O ATOM 1522 CB VAL A 98 5.536 4.144 -40.808 1.00 0.00 C ATOM 1523 CG1 VAL A 98 5.616 2.962 -39.838 1.00 0.00 C ATOM 1524 CG2 VAL A 98 6.152 3.759 -42.153 1.00 0.00 C ATOM 0 H VAL A 98 3.399 4.606 -39.005 1.00 0.00 H new ATOM 0 HA VAL A 98 4.152 5.368 -41.793 1.00 0.00 H new ATOM 0 HB VAL A 98 6.110 4.969 -40.387 1.00 0.00 H new ATOM 0 HG11 VAL A 98 6.651 2.633 -39.750 1.00 0.00 H new ATOM 0 HG12 VAL A 98 5.248 3.269 -38.859 1.00 0.00 H new ATOM 0 HG13 VAL A 98 5.005 2.141 -40.214 1.00 0.00 H new ATOM 0 HG21 VAL A 98 7.171 3.404 -41.998 1.00 0.00 H new ATOM 0 HG22 VAL A 98 5.558 2.969 -42.612 1.00 0.00 H new ATOM 0 HG23 VAL A 98 6.167 4.629 -42.809 1.00 0.00 H new ATOM 1534 N VAL A 99 1.824 3.941 -41.067 1.00 0.00 N ATOM 1535 CA VAL A 99 0.583 3.204 -41.268 1.00 0.00 C ATOM 1536 C VAL A 99 0.673 1.686 -41.123 1.00 0.00 C ATOM 1537 O VAL A 99 -0.116 0.931 -41.687 1.00 0.00 O ATOM 1538 CB VAL A 99 -0.047 3.690 -42.574 1.00 0.00 C ATOM 1539 CG1 VAL A 99 0.495 2.927 -43.781 1.00 0.00 C ATOM 1540 CG2 VAL A 99 -1.563 3.606 -42.457 1.00 0.00 C ATOM 0 H VAL A 99 1.645 4.828 -40.596 1.00 0.00 H new ATOM 0 HA VAL A 99 -0.084 3.432 -40.437 1.00 0.00 H new ATOM 0 HB VAL A 99 0.226 4.732 -42.742 1.00 0.00 H new ATOM 0 HG11 VAL A 99 0.023 3.301 -44.690 1.00 0.00 H new ATOM 0 HG12 VAL A 99 1.574 3.069 -43.847 1.00 0.00 H new ATOM 0 HG13 VAL A 99 0.275 1.865 -43.669 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.019 3.951 -43.385 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -1.857 2.573 -42.270 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.900 4.234 -41.632 1.00 0.00 H new ATOM 1550 N GLU A 100 1.658 1.246 -40.349 1.00 0.00 N ATOM 1551 CA GLU A 100 1.928 -0.142 -40.048 1.00 0.00 C ATOM 1552 C GLU A 100 0.696 -0.858 -39.495 1.00 0.00 C ATOM 1553 O GLU A 100 -0.076 -0.293 -38.721 1.00 0.00 O ATOM 1554 CB GLU A 100 3.071 -0.181 -39.033 1.00 0.00 C ATOM 1555 CG GLU A 100 3.366 -1.598 -38.600 1.00 0.00 C ATOM 1556 CD GLU A 100 4.699 -1.699 -37.865 1.00 0.00 C ATOM 1557 OE1 GLU A 100 4.706 -1.431 -36.643 1.00 0.00 O ATOM 1558 OE2 GLU A 100 5.704 -2.042 -38.529 1.00 0.00 O ATOM 0 H GLU A 100 2.316 1.881 -39.897 1.00 0.00 H new ATOM 0 HA GLU A 100 2.203 -0.665 -40.964 1.00 0.00 H new ATOM 0 HB2 GLU A 100 3.965 0.262 -39.471 1.00 0.00 H new ATOM 0 HB3 GLU A 100 2.810 0.421 -38.163 1.00 0.00 H new ATOM 0 HG2 GLU A 100 2.565 -1.954 -37.952 1.00 0.00 H new ATOM 0 HG3 GLU A 100 3.382 -2.249 -39.474 1.00 0.00 H new ATOM 1565 N VAL A 101 0.539 -2.116 -39.909 1.00 0.00 N ATOM 1566 CA VAL A 101 -0.471 -3.028 -39.399 1.00 0.00 C ATOM 1567 C VAL A 101 0.175 -4.395 -39.232 1.00 0.00 C ATOM 1568 O VAL A 101 0.940 -4.833 -40.089 1.00 0.00 O ATOM 1569 CB VAL A 101 -1.660 -3.130 -40.357 1.00 0.00 C ATOM 1570 CG1 VAL A 101 -2.760 -4.001 -39.744 1.00 0.00 C ATOM 1571 CG2 VAL A 101 -2.233 -1.750 -40.673 1.00 0.00 C ATOM 0 H VAL A 101 1.130 -2.534 -40.628 1.00 0.00 H new ATOM 0 HA VAL A 101 -0.848 -2.657 -38.446 1.00 0.00 H new ATOM 0 HB VAL A 101 -1.303 -3.583 -41.282 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -3.600 -4.066 -40.435 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -2.369 -5.000 -39.554 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -3.095 -3.558 -38.806 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -3.076 -1.854 -41.356 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.569 -1.276 -39.751 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -1.463 -1.134 -41.138 1.00 0.00 H new ATOM 1581 N ASP A 102 -0.134 -5.066 -38.123 1.00 0.00 N ATOM 1582 CA ASP A 102 0.414 -6.374 -37.814 1.00 0.00 C ATOM 1583 C ASP A 102 -0.566 -7.163 -36.947 1.00 0.00 C ATOM 1584 O ASP A 102 -0.208 -8.118 -36.261 1.00 0.00 O ATOM 1585 CB ASP A 102 1.787 -6.183 -37.165 1.00 0.00 C ATOM 1586 CG ASP A 102 2.498 -7.506 -36.881 1.00 0.00 C ATOM 1587 OD1 ASP A 102 2.624 -8.309 -37.831 1.00 0.00 O ATOM 1588 OD2 ASP A 102 2.912 -7.702 -35.715 1.00 0.00 O ATOM 0 H ASP A 102 -0.775 -4.710 -37.414 1.00 0.00 H new ATOM 0 HA ASP A 102 0.556 -6.966 -38.718 1.00 0.00 H new ATOM 0 HB2 ASP A 102 2.411 -5.574 -37.819 1.00 0.00 H new ATOM 0 HB3 ASP A 102 1.669 -5.632 -36.232 1.00 0.00 H new ATOM 1593 N GLU A 103 -1.829 -6.739 -36.991 1.00 0.00 N ATOM 1594 CA GLU A 103 -2.923 -7.324 -36.242 1.00 0.00 C ATOM 1595 C GLU A 103 -4.253 -7.175 -36.977 1.00 0.00 C ATOM 1596 O GLU A 103 -4.299 -6.862 -38.167 1.00 0.00 O ATOM 1597 CB GLU A 103 -3.013 -6.659 -34.869 1.00 0.00 C ATOM 1598 CG GLU A 103 -3.443 -5.189 -34.893 1.00 0.00 C ATOM 1599 CD GLU A 103 -2.302 -4.261 -35.306 1.00 0.00 C ATOM 1600 OE1 GLU A 103 -1.512 -3.885 -34.410 1.00 0.00 O ATOM 1601 OE2 GLU A 103 -2.224 -3.932 -36.509 1.00 0.00 O ATOM 0 H GLU A 103 -2.120 -5.952 -37.571 1.00 0.00 H new ATOM 0 HA GLU A 103 -2.724 -8.390 -36.128 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -3.719 -7.219 -34.255 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -2.040 -6.730 -34.382 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -4.277 -5.067 -35.585 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -3.804 -4.901 -33.905 1.00 0.00 H new ATOM 1608 N LEU A 104 -5.332 -7.409 -36.229 1.00 0.00 N ATOM 1609 CA LEU A 104 -6.712 -7.282 -36.612 1.00 0.00 C ATOM 1610 C LEU A 104 -7.073 -5.944 -37.276 1.00 0.00 C ATOM 1611 O LEU A 104 -6.255 -5.029 -37.361 1.00 0.00 O ATOM 1612 CB LEU A 104 -7.479 -7.659 -35.357 1.00 0.00 C ATOM 1613 CG LEU A 104 -7.494 -6.688 -34.187 1.00 0.00 C ATOM 1614 CD1 LEU A 104 -7.981 -5.293 -34.530 1.00 0.00 C ATOM 1615 CD2 LEU A 104 -8.557 -7.245 -33.266 1.00 0.00 C ATOM 0 H LEU A 104 -5.240 -7.717 -35.261 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.985 -7.945 -37.433 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.514 -7.843 -35.646 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -7.076 -8.605 -34.995 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.479 -6.601 -33.800 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.958 -4.670 -33.636 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -7.334 -4.859 -35.292 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -9.002 -5.347 -34.909 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -8.644 -6.609 -32.385 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -9.513 -7.274 -33.789 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -8.281 -8.254 -32.960 1.00 0.00 H new ATOM 1627 N PRO A 105 -8.317 -5.840 -37.753 1.00 0.00 N ATOM 1628 CA PRO A 105 -8.826 -4.805 -38.626 1.00 0.00 C ATOM 1629 C PRO A 105 -9.343 -3.588 -37.862 1.00 0.00 C ATOM 1630 O PRO A 105 -9.334 -3.561 -36.635 1.00 0.00 O ATOM 1631 CB PRO A 105 -9.956 -5.552 -39.323 1.00 0.00 C ATOM 1632 CG PRO A 105 -10.618 -6.286 -38.182 1.00 0.00 C ATOM 1633 CD PRO A 105 -9.367 -6.795 -37.488 1.00 0.00 C ATOM 0 HA PRO A 105 -8.074 -4.383 -39.293 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -10.646 -4.871 -39.821 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -9.581 -6.238 -40.083 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -11.217 -5.632 -37.549 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -11.272 -7.090 -38.519 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -9.535 -6.895 -36.416 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -9.094 -7.782 -37.862 1.00 0.00 H new ATOM 1641 N GLU A 106 -9.802 -2.575 -38.605 1.00 0.00 N ATOM 1642 CA GLU A 106 -10.286 -1.313 -38.047 1.00 0.00 C ATOM 1643 C GLU A 106 -11.735 -1.425 -37.547 1.00 0.00 C ATOM 1644 O GLU A 106 -12.445 -0.425 -37.449 1.00 0.00 O ATOM 1645 CB GLU A 106 -10.135 -0.221 -39.114 1.00 0.00 C ATOM 1646 CG GLU A 106 -10.097 1.178 -38.496 1.00 0.00 C ATOM 1647 CD GLU A 106 -9.817 2.232 -39.562 1.00 0.00 C ATOM 1648 OE1 GLU A 106 -10.801 2.710 -40.169 1.00 0.00 O ATOM 1649 OE2 GLU A 106 -8.627 2.552 -39.770 1.00 0.00 O ATOM 0 H GLU A 106 -9.847 -2.612 -39.623 1.00 0.00 H new ATOM 0 HA GLU A 106 -9.689 -1.052 -37.173 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -9.221 -0.392 -39.682 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -10.964 -0.284 -39.819 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -11.048 1.391 -38.008 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -9.327 1.220 -37.726 1.00 0.00 H new ATOM 1656 N GLY A 107 -12.188 -2.641 -37.226 1.00 0.00 N ATOM 1657 CA GLY A 107 -13.565 -2.880 -36.813 1.00 0.00 C ATOM 1658 C GLY A 107 -13.708 -4.121 -35.930 1.00 0.00 C ATOM 1659 O GLY A 107 -14.741 -4.787 -35.964 1.00 0.00 O ATOM 0 H GLY A 107 -11.609 -3.481 -37.246 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -13.934 -2.009 -36.272 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -14.191 -2.994 -37.698 1.00 0.00 H new ATOM 1663 N TYR A 108 -12.677 -4.438 -35.144 1.00 0.00 N ATOM 1664 CA TYR A 108 -12.634 -5.622 -34.302 1.00 0.00 C ATOM 1665 C TYR A 108 -11.901 -5.285 -33.006 1.00 0.00 C ATOM 1666 O TYR A 108 -10.851 -4.643 -33.031 1.00 0.00 O ATOM 1667 CB TYR A 108 -11.879 -6.690 -35.094 1.00 0.00 C ATOM 1668 CG TYR A 108 -11.609 -8.033 -34.470 1.00 0.00 C ATOM 1669 CD1 TYR A 108 -12.121 -8.410 -33.220 1.00 0.00 C ATOM 1670 CD2 TYR A 108 -10.772 -8.902 -35.177 1.00 0.00 C ATOM 1671 CE1 TYR A 108 -11.724 -9.621 -32.640 1.00 0.00 C ATOM 1672 CE2 TYR A 108 -10.344 -10.096 -34.592 1.00 0.00 C ATOM 1673 CZ TYR A 108 -10.823 -10.466 -33.319 1.00 0.00 C ATOM 1674 OH TYR A 108 -10.416 -11.636 -32.752 1.00 0.00 O ATOM 0 H TYR A 108 -11.836 -3.865 -35.078 1.00 0.00 H new ATOM 0 HA TYR A 108 -13.631 -5.977 -34.040 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -12.435 -6.865 -36.015 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -10.917 -6.264 -35.378 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -12.820 -7.767 -32.706 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -10.456 -8.649 -36.178 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -12.108 -9.908 -31.672 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -9.647 -10.735 -35.114 1.00 0.00 H new ATOM 0 HH TYR A 108 -9.797 -12.095 -33.357 1.00 0.00 H new ATOM 1684 N ASP A 109 -12.456 -5.721 -31.877 1.00 0.00 N ATOM 1685 CA ASP A 109 -11.796 -5.664 -30.587 1.00 0.00 C ATOM 1686 C ASP A 109 -12.208 -6.890 -29.767 1.00 0.00 C ATOM 1687 O ASP A 109 -13.215 -7.530 -30.068 1.00 0.00 O ATOM 1688 CB ASP A 109 -12.161 -4.346 -29.897 1.00 0.00 C ATOM 1689 CG ASP A 109 -11.283 -4.049 -28.680 1.00 0.00 C ATOM 1690 OD1 ASP A 109 -10.248 -4.731 -28.516 1.00 0.00 O ATOM 1691 OD2 ASP A 109 -11.665 -3.131 -27.919 1.00 0.00 O ATOM 0 H ASP A 109 -13.390 -6.129 -31.839 1.00 0.00 H new ATOM 0 HA ASP A 109 -10.712 -5.687 -30.696 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -12.069 -3.529 -30.613 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -13.205 -4.381 -29.586 1.00 0.00 H new ATOM 1696 N ARG A 110 -11.433 -7.230 -28.732 1.00 0.00 N ATOM 1697 CA ARG A 110 -11.608 -8.494 -28.021 1.00 0.00 C ATOM 1698 C ARG A 110 -11.332 -8.368 -26.519 1.00 0.00 C ATOM 1699 O ARG A 110 -11.396 -9.363 -25.800 1.00 0.00 O ATOM 1700 CB ARG A 110 -10.667 -9.525 -28.665 1.00 0.00 C ATOM 1701 CG ARG A 110 -11.059 -10.968 -28.343 1.00 0.00 C ATOM 1702 CD ARG A 110 -10.055 -11.933 -28.974 1.00 0.00 C ATOM 1703 NE ARG A 110 -10.452 -13.326 -28.727 1.00 0.00 N ATOM 1704 CZ ARG A 110 -11.058 -14.109 -29.623 1.00 0.00 C ATOM 1705 NH1 ARG A 110 -11.341 -13.662 -30.842 1.00 0.00 N ATOM 1706 NH2 ARG A 110 -11.385 -15.357 -29.298 1.00 0.00 N ATOM 0 H ARG A 110 -10.679 -6.645 -28.370 1.00 0.00 H new ATOM 0 HA ARG A 110 -12.648 -8.810 -28.106 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -10.668 -9.386 -29.746 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -9.648 -9.345 -28.321 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -11.088 -11.114 -27.263 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -12.061 -11.174 -28.719 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -9.993 -11.752 -30.047 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -9.062 -11.754 -28.562 1.00 0.00 H new ATOM 0 HE ARG A 110 -10.251 -13.722 -27.809 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -11.095 -12.708 -31.105 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -11.804 -14.273 -31.515 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -11.173 -15.714 -28.366 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -11.848 -15.957 -29.981 1.00 0.00 H new ATOM 1720 N SER A 111 -11.025 -7.161 -26.034 1.00 0.00 N ATOM 1721 CA SER A 111 -10.681 -6.951 -24.624 1.00 0.00 C ATOM 1722 C SER A 111 -11.108 -5.570 -24.137 1.00 0.00 C ATOM 1723 O SER A 111 -11.359 -4.692 -24.990 1.00 0.00 O ATOM 1724 CB SER A 111 -9.177 -7.147 -24.424 1.00 0.00 C ATOM 1725 OG SER A 111 -8.465 -6.211 -25.205 1.00 0.00 O ATOM 1726 OXT SER A 111 -11.182 -5.412 -22.896 1.00 0.00 O ATOM 0 H SER A 111 -11.008 -6.312 -26.599 1.00 0.00 H new ATOM 0 HA SER A 111 -11.224 -7.686 -24.031 1.00 0.00 H new ATOM 0 HB2 SER A 111 -8.922 -7.025 -23.371 1.00 0.00 H new ATOM 0 HB3 SER A 111 -8.892 -8.161 -24.706 1.00 0.00 H new ATOM 0 HG SER A 111 -7.503 -6.339 -25.072 1.00 0.00 H new TER 1732 SER A 111 ATOM 1733 N ALA B 701 16.705 18.408 -15.371 1.00 0.00 N ATOM 1734 CA ALA B 701 17.275 19.690 -14.969 1.00 0.00 C ATOM 1735 C ALA B 701 17.194 19.892 -13.473 1.00 0.00 C ATOM 1736 O ALA B 701 16.079 20.112 -12.987 1.00 0.00 O ATOM 1737 CB ALA B 701 16.571 20.844 -15.699 1.00 0.00 C ATOM 0 HA ALA B 701 18.329 19.683 -15.248 1.00 0.00 H new ATOM 0 HB1 ALA B 701 17.009 21.792 -15.387 1.00 0.00 H new ATOM 0 HB2 ALA B 701 16.695 20.723 -16.775 1.00 0.00 H new ATOM 0 HB3 ALA B 701 15.509 20.836 -15.453 1.00 0.00 H new ATOM 1745 N ASP B 702 18.323 19.809 -12.766 1.00 0.00 N ATOM 1746 CA ASP B 702 18.411 19.955 -11.306 1.00 0.00 C ATOM 1747 C ASP B 702 17.387 19.096 -10.545 1.00 0.00 C ATOM 1748 O ASP B 702 16.916 19.470 -9.483 1.00 0.00 O ATOM 1749 CB ASP B 702 18.338 21.436 -10.927 1.00 0.00 C ATOM 1750 CG ASP B 702 18.707 21.682 -9.476 1.00 0.00 C ATOM 1751 OD1 ASP B 702 19.737 21.120 -9.038 1.00 0.00 O ATOM 1752 OD2 ASP B 702 17.960 22.424 -8.811 1.00 0.00 O ATOM 0 H ASP B 702 19.228 19.634 -13.203 1.00 0.00 H new ATOM 0 HA ASP B 702 19.380 19.567 -10.992 1.00 0.00 H new ATOM 0 HB2 ASP B 702 19.008 22.006 -11.571 1.00 0.00 H new ATOM 0 HB3 ASP B 702 17.329 21.805 -11.110 1.00 0.00 H new ATOM 1757 N THR B 703 17.056 17.933 -11.113 1.00 0.00 N ATOM 1758 CA THR B 703 16.103 17.019 -10.495 1.00 0.00 C ATOM 1759 C THR B 703 16.448 15.579 -10.832 1.00 0.00 C ATOM 1760 O THR B 703 16.890 15.257 -11.941 1.00 0.00 O ATOM 1761 CB THR B 703 14.686 17.344 -10.933 1.00 0.00 C ATOM 1762 OG1 THR B 703 13.829 16.434 -10.303 1.00 0.00 O ATOM 1763 CG2 THR B 703 14.575 17.218 -12.450 1.00 0.00 C ATOM 0 H THR B 703 17.437 17.606 -12.001 1.00 0.00 H new ATOM 0 HA THR B 703 16.164 17.143 -9.414 1.00 0.00 H new ATOM 0 HB THR B 703 14.418 18.364 -10.658 1.00 0.00 H new ATOM 0 HG1 THR B 703 13.017 16.898 -10.010 1.00 0.00 H new ATOM 0 HG21 THR B 703 13.557 17.452 -12.761 1.00 0.00 H new ATOM 0 HG22 THR B 703 15.268 17.913 -12.924 1.00 0.00 H new ATOM 0 HG23 THR B 703 14.821 16.199 -12.749 1.00 0.00 H new ATOM 1771 N GLU B 704 16.214 14.696 -9.859 1.00 0.00 N ATOM 1772 CA GLU B 704 16.286 13.262 -10.062 1.00 0.00 C ATOM 1773 C GLU B 704 15.148 12.806 -10.979 1.00 0.00 C ATOM 1774 O GLU B 704 15.126 11.659 -11.410 1.00 0.00 O ATOM 1775 CB GLU B 704 16.225 12.565 -8.705 1.00 0.00 C ATOM 1776 CG GLU B 704 14.933 12.895 -7.948 1.00 0.00 C ATOM 1777 CD GLU B 704 14.899 12.185 -6.598 1.00 0.00 C ATOM 1778 OE1 GLU B 704 14.885 10.931 -6.587 1.00 0.00 O ATOM 1779 OE2 GLU B 704 14.891 12.907 -5.574 1.00 0.00 O ATOM 0 H GLU B 704 15.969 14.965 -8.906 1.00 0.00 H new ATOM 0 HA GLU B 704 17.226 12.997 -10.547 1.00 0.00 H new ATOM 0 HB2 GLU B 704 16.296 11.487 -8.848 1.00 0.00 H new ATOM 0 HB3 GLU B 704 17.084 12.865 -8.104 1.00 0.00 H new ATOM 0 HG2 GLU B 704 14.859 13.972 -7.799 1.00 0.00 H new ATOM 0 HG3 GLU B 704 14.071 12.595 -8.543 1.00 0.00 H new ATOM 1786 N MET B 705 14.211 13.714 -11.269 1.00 0.00 N ATOM 1787 CA MET B 705 13.124 13.467 -12.205 1.00 0.00 C ATOM 1788 C MET B 705 13.691 13.035 -13.549 1.00 0.00 C ATOM 1789 O MET B 705 13.005 12.408 -14.353 1.00 0.00 O ATOM 1790 CB MET B 705 12.361 14.767 -12.438 1.00 0.00 C ATOM 1791 CG MET B 705 10.907 14.545 -12.834 1.00 0.00 C ATOM 1792 SD MET B 705 9.782 14.919 -11.471 1.00 0.00 S ATOM 1793 CE MET B 705 10.492 13.770 -10.274 1.00 0.00 C ATOM 0 H MET B 705 14.191 14.646 -10.855 1.00 0.00 H new ATOM 0 HA MET B 705 12.475 12.694 -11.793 1.00 0.00 H new ATOM 0 HB2 MET B 705 12.396 15.369 -11.530 1.00 0.00 H new ATOM 0 HB3 MET B 705 12.861 15.339 -13.220 1.00 0.00 H new ATOM 0 HG2 MET B 705 10.663 15.173 -13.691 1.00 0.00 H new ATOM 0 HG3 MET B 705 10.769 13.510 -13.147 1.00 0.00 H new ATOM 0 HE1 MET B 705 9.858 13.729 -9.389 1.00 0.00 H new ATOM 0 HE2 MET B 705 10.559 12.777 -10.719 1.00 0.00 H new ATOM 0 HE3 MET B 705 11.488 14.109 -9.991 1.00 0.00 H new ATOM 1803 N GLU B 706 14.957 13.386 -13.771 1.00 0.00 N ATOM 1804 CA GLU B 706 15.634 13.102 -15.022 1.00 0.00 C ATOM 1805 C GLU B 706 16.841 12.193 -14.787 1.00 0.00 C ATOM 1806 O GLU B 706 17.840 12.265 -15.500 1.00 0.00 O ATOM 1807 CB GLU B 706 15.948 14.432 -15.698 1.00 0.00 C ATOM 1808 CG GLU B 706 16.118 14.250 -17.209 1.00 0.00 C ATOM 1809 CD GLU B 706 16.287 15.585 -17.939 1.00 0.00 C ATOM 1810 OE1 GLU B 706 16.981 16.475 -17.396 1.00 0.00 O ATOM 1811 OE2 GLU B 706 15.714 15.707 -19.046 1.00 0.00 O ATOM 0 H GLU B 706 15.535 13.874 -13.087 1.00 0.00 H new ATOM 0 HA GLU B 706 15.002 12.536 -15.707 1.00 0.00 H new ATOM 0 HB2 GLU B 706 15.146 15.143 -15.501 1.00 0.00 H new ATOM 0 HB3 GLU B 706 16.859 14.854 -15.274 1.00 0.00 H new ATOM 0 HG2 GLU B 706 16.987 13.621 -17.402 1.00 0.00 H new ATOM 0 HG3 GLU B 706 15.250 13.727 -17.610 1.00 0.00 H new ATOM 1818 N GLU B 707 16.721 11.336 -13.766 1.00 0.00 N ATOM 1819 CA GLU B 707 17.704 10.332 -13.400 1.00 0.00 C ATOM 1820 C GLU B 707 16.957 9.075 -12.936 1.00 0.00 C ATOM 1821 O GLU B 707 15.776 9.140 -12.587 1.00 0.00 O ATOM 1822 CB GLU B 707 18.596 10.912 -12.300 1.00 0.00 C ATOM 1823 CG GLU B 707 19.765 9.994 -11.937 1.00 0.00 C ATOM 1824 CD GLU B 707 20.698 9.763 -13.123 1.00 0.00 C ATOM 1825 OE1 GLU B 707 20.382 8.878 -13.947 1.00 0.00 O ATOM 1826 OE2 GLU B 707 21.724 10.478 -13.194 1.00 0.00 O ATOM 0 H GLU B 707 15.904 11.330 -13.155 1.00 0.00 H new ATOM 0 HA GLU B 707 18.340 10.057 -14.242 1.00 0.00 H new ATOM 0 HB2 GLU B 707 18.985 11.877 -12.626 1.00 0.00 H new ATOM 0 HB3 GLU B 707 17.994 11.095 -11.410 1.00 0.00 H new ATOM 0 HG2 GLU B 707 20.328 10.432 -11.113 1.00 0.00 H new ATOM 0 HG3 GLU B 707 19.379 9.037 -11.587 1.00 0.00 H new ATOM 1833 N VAL B 708 17.621 7.919 -12.927 1.00 0.00 N ATOM 1834 CA VAL B 708 16.958 6.665 -12.587 1.00 0.00 C ATOM 1835 C VAL B 708 16.710 6.528 -11.082 1.00 0.00 C ATOM 1836 O VAL B 708 17.027 7.439 -10.319 1.00 0.00 O ATOM 1837 CB VAL B 708 17.704 5.453 -13.144 1.00 0.00 C ATOM 1838 CG1 VAL B 708 18.356 5.766 -14.474 1.00 0.00 C ATOM 1839 CG2 VAL B 708 18.780 4.886 -12.230 1.00 0.00 C ATOM 0 H VAL B 708 18.612 7.827 -13.150 1.00 0.00 H new ATOM 0 HA VAL B 708 15.981 6.694 -13.069 1.00 0.00 H new ATOM 0 HB VAL B 708 16.923 4.700 -13.248 1.00 0.00 H new ATOM 0 HG11 VAL B 708 18.877 4.882 -14.841 1.00 0.00 H new ATOM 0 HG12 VAL B 708 17.592 6.061 -15.193 1.00 0.00 H new ATOM 0 HG13 VAL B 708 19.069 6.581 -14.347 1.00 0.00 H new ATOM 0 HG21 VAL B 708 19.252 4.030 -12.712 1.00 0.00 H new ATOM 0 HG22 VAL B 708 19.531 5.651 -12.033 1.00 0.00 H new ATOM 0 HG23 VAL B 708 18.329 4.570 -11.289 1.00 0.00 H new ATOM 1849 N ASP B 709 16.140 5.385 -10.675 1.00 0.00 N ATOM 1850 CA ASP B 709 15.729 5.040 -9.313 1.00 0.00 C ATOM 1851 C ASP B 709 15.479 6.251 -8.409 1.00 0.00 C ATOM 1852 O ASP B 709 14.503 6.978 -8.700 1.00 0.00 O ATOM 1853 CB ASP B 709 16.651 4.003 -8.653 1.00 0.00 C ATOM 1854 CG ASP B 709 18.072 4.477 -8.313 1.00 0.00 C ATOM 1855 OD1 ASP B 709 18.635 5.309 -9.058 1.00 0.00 O ATOM 1856 OD2 ASP B 709 18.592 3.986 -7.284 1.00 0.00 O ATOM 1857 OXT ASP B 709 16.245 6.451 -7.441 1.00 0.00 O ATOM 0 H ASP B 709 15.943 4.631 -11.333 1.00 0.00 H new ATOM 0 HA ASP B 709 14.756 4.564 -9.434 1.00 0.00 H new ATOM 0 HB2 ASP B 709 16.176 3.658 -7.735 1.00 0.00 H new ATOM 0 HB3 ASP B 709 16.727 3.141 -9.316 1.00 0.00 H new TER 1862 ASP B 709